smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCN(C(=O)N2CCCCC2)CCS1 ZINC000380380761 712900298 /nfs/dbraw/zinc/90/02/98/712900298.db2.gz ONIZIJYAGZKUIL-LLVKDONJSA-N 0 0 242.388 2.420 10 0 BEAERN Cc1cnc(CNCc2nccs2)c(C)c1 ZINC000724024213 710736217 /nfs/dbraw/zinc/73/62/17/710736217.db2.gz RIISYWCTFYMEOQ-UHFFFAOYSA-N 0 0 233.340 2.445 10 0 BEAERN Cc1cnn(C)c1CNCc1ncc(C)cc1C ZINC000724055756 710736881 /nfs/dbraw/zinc/73/68/81/710736881.db2.gz HKIRGUORYLWJRX-UHFFFAOYSA-N 0 0 244.342 2.030 10 0 BEAERN N[C@@H](CC(F)F)c1nc(CC2CCC2)no1 ZINC000380609057 712901736 /nfs/dbraw/zinc/90/17/36/712901736.db2.gz XMNHCUIOFZHGIH-ZETCQYMHSA-N 0 0 231.246 2.067 10 0 BEAERN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000380869631 710591685 /nfs/dbraw/zinc/59/16/85/710591685.db2.gz JRUGCYBXTUZNPB-RBWIOGKGSA-N 0 0 225.332 2.010 10 0 BEAERN Cc1cnnc(NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000724469868 710740500 /nfs/dbraw/zinc/74/05/00/710740500.db2.gz AWQFHMAPDAMGAL-QWRGUYRKSA-N 0 0 235.331 2.401 10 0 BEAERN Cc1c(N)cncc1-c1scc2c1OCCO2 ZINC000722710282 711466146 /nfs/dbraw/zinc/46/61/46/711466146.db2.gz DLGLZBACNYUOPF-UHFFFAOYSA-N 0 0 248.307 2.472 10 0 BEAERN Fc1ccccc1[C@H]1CCNc2ccnn21 ZINC000236178281 711490591 /nfs/dbraw/zinc/49/05/91/711490591.db2.gz AWRFHADMPBOROB-LLVKDONJSA-N 0 0 217.247 2.427 10 0 BEAERN Cc1[nH]c(=O)c(C)c(Br)c1C ZINC000238485544 711504668 /nfs/dbraw/zinc/50/46/68/711504668.db2.gz MZDPSNKXXYRDQJ-UHFFFAOYSA-N 0 0 216.078 2.063 10 0 BEAERN Cc1cnc(CNC(=O)OC(C)C)c(C)c1 ZINC000723693702 711533865 /nfs/dbraw/zinc/53/38/65/711533865.db2.gz JOXVBPACWBTRRI-UHFFFAOYSA-N 0 0 222.288 2.333 10 0 BEAERN CC(C)OC(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000723840214 711538118 /nfs/dbraw/zinc/53/81/18/711538118.db2.gz NPRQUBFDEDGSCP-NWDGAFQWSA-N 0 0 241.331 2.326 10 0 BEAERN CC[C@H](NC(=O)OC(C)C)[C@@H]1CCCOC1 ZINC000723846414 711538953 /nfs/dbraw/zinc/53/89/53/711538953.db2.gz SVRRISVKPLZUPJ-MNOVXSKESA-N 0 0 229.320 2.326 10 0 BEAERN CC[C@@H](NC(=O)OC(C)C)[C@H]1CCCOC1 ZINC000723846416 711539196 /nfs/dbraw/zinc/53/91/96/711539196.db2.gz SVRRISVKPLZUPJ-WDEREUQCSA-N 0 0 229.320 2.326 10 0 BEAERN Cc1nccnc1N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000723869181 711540001 /nfs/dbraw/zinc/54/00/01/711540001.db2.gz MATGRHXLZPUOPY-QWHCGFSZSA-N 0 0 247.342 2.402 10 0 BEAERN Cc1nccnc1N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723869180 711540053 /nfs/dbraw/zinc/54/00/53/711540053.db2.gz MATGRHXLZPUOPY-OLZOCXBDSA-N 0 0 247.342 2.402 10 0 BEAERN Cc1cnc(CN[C@H](C)c2cnn(C)c2)c(C)c1 ZINC000724055231 711558524 /nfs/dbraw/zinc/55/85/24/711558524.db2.gz CNSXXQGLGNHMBF-GFCCVEGCSA-N 0 0 244.342 2.283 10 0 BEAERN CCCNC(=S)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000724467342 711582200 /nfs/dbraw/zinc/58/22/00/711582200.db2.gz LKFTZCBLDFIGHL-UWVGGRQHSA-N 0 0 244.404 2.064 10 0 BEAERN CC[C@](C)(CCO)Nc1cc(C(F)F)ncn1 ZINC000724653622 711605338 /nfs/dbraw/zinc/60/53/38/711605338.db2.gz KRPRXEQKYSSPPL-LLVKDONJSA-N 0 0 245.273 2.377 10 0 BEAERN COCC1CC(Nc2cc(C(F)F)ncn2)C1 ZINC000724664151 711607090 /nfs/dbraw/zinc/60/70/90/711607090.db2.gz LOELSULVTXPILE-UHFFFAOYSA-N 0 0 243.257 2.251 10 0 BEAERN Cc1nc(C)c(CN2CCO[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000724786325 711614584 /nfs/dbraw/zinc/61/45/84/711614584.db2.gz JUYMVBHERSVLAO-UONOGXRCSA-N 0 0 249.358 2.170 10 0 BEAERN Cc1nc(C)c(CN2CCO[C@@H]3CCCC[C@H]32)[nH]1 ZINC000724786326 711614614 /nfs/dbraw/zinc/61/46/14/711614614.db2.gz JUYMVBHERSVLAO-ZIAGYGMSSA-N 0 0 249.358 2.170 10 0 BEAERN C[C@H]1C[C@H](NC(=O)n2ccnc2)C[C@@H](C)C1 ZINC000251685465 711764171 /nfs/dbraw/zinc/76/41/71/711764171.db2.gz APZLJHRYPZHHCL-URLYPYJESA-N 0 0 221.304 2.266 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)C2=CCCCO2)o1 ZINC000174628183 711842015 /nfs/dbraw/zinc/84/20/15/711842015.db2.gz HOIODSYGCBVMRT-SNVBAGLBSA-N 0 0 235.283 2.460 10 0 BEAERN CC(C)(C#N)COC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000180163531 711886852 /nfs/dbraw/zinc/88/68/52/711886852.db2.gz DMAANDMXKWNAQW-NXEZZACHSA-N 0 0 207.273 2.125 10 0 BEAERN Cc1cccc(CNC(=O)N2CCCCC2)n1 ZINC000132542573 711967325 /nfs/dbraw/zinc/96/73/25/711967325.db2.gz WXFRKPBYAZLPFB-UHFFFAOYSA-N 0 0 233.315 2.086 10 0 BEAERN CCCc1nccnc1NC[C@H](O)CC(C)C ZINC000700131831 711986573 /nfs/dbraw/zinc/98/65/73/711986573.db2.gz YYEDUDPAZKGAPK-LLVKDONJSA-N 0 0 237.347 2.248 10 0 BEAERN CCCc1nccnc1N1CCC[C@H](CO)CC1 ZINC000700229471 711987935 /nfs/dbraw/zinc/98/79/35/711987935.db2.gz CGYSWGXUJLOJGY-LBPRGKRZSA-N 0 0 249.358 2.028 10 0 BEAERN CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700644801 712001260 /nfs/dbraw/zinc/00/12/60/712001260.db2.gz FXJQGDDUWDLUAT-LBPRGKRZSA-N 0 0 233.311 2.043 10 0 BEAERN Cn1nnc2c1cccc2-c1ccccc1C=O ZINC000701223112 712018541 /nfs/dbraw/zinc/01/85/41/712018541.db2.gz ZQYFWPCSOJMLLK-UHFFFAOYSA-N 0 0 237.262 2.448 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1c1nc(Cl)cs1 ZINC000705430415 712131380 /nfs/dbraw/zinc/13/13/80/712131380.db2.gz PDDLUQWQXGNDHZ-RNFRBKRXSA-N 0 0 232.736 2.146 10 0 BEAERN Cc1cc(F)ccc1C(=O)O[C@H]1COC[C@@H]1C ZINC000705812756 712136359 /nfs/dbraw/zinc/13/63/59/712136359.db2.gz LGTJCTOZEDYQCI-CABZTGNLSA-N 0 0 238.258 2.326 10 0 BEAERN CNc1nc(C)ccc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000706754526 712153862 /nfs/dbraw/zinc/15/38/62/712153862.db2.gz NKYASIYEWSNHBZ-PWSUYJOCSA-N 0 0 245.326 2.056 10 0 BEAERN O=C(c1cccnc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000706771791 712155577 /nfs/dbraw/zinc/15/55/77/712155577.db2.gz HFXDCBGVFSDHTE-WPRPVWTQSA-N 0 0 236.702 2.360 10 0 BEAERN COc1cccc(O)c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000706845658 712158348 /nfs/dbraw/zinc/15/83/48/712158348.db2.gz DWBMOVHIZZEWMC-UWVGGRQHSA-N 0 0 247.294 2.025 10 0 BEAERN Clc1cnc(CN2C[C@H]3CCC[C@H]32)cn1 ZINC000706916938 712158452 /nfs/dbraw/zinc/15/84/52/712158452.db2.gz UEAYNMCTEUIHHB-PSASIEDQSA-N 0 0 223.707 2.114 10 0 BEAERN Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]32)n1 ZINC000706885400 712158829 /nfs/dbraw/zinc/15/88/29/712158829.db2.gz VAHGBXZQKZKUOA-IUCAKERBSA-N 0 0 223.707 2.427 10 0 BEAERN Cc1nc(Cl)cc(N2C[C@H]3CCC[C@@H]32)n1 ZINC000706885397 712158861 /nfs/dbraw/zinc/15/88/61/712158861.db2.gz VAHGBXZQKZKUOA-BDAKNGLRSA-N 0 0 223.707 2.427 10 0 BEAERN Clc1cncc(N2C[C@@H]3CCC[C@H]32)n1 ZINC000706884131 712158863 /nfs/dbraw/zinc/15/88/63/712158863.db2.gz QWDQKYWIRAQDJB-JGVFFNPUSA-N 0 0 209.680 2.119 10 0 BEAERN O=C(c1ccc(Cl)nc1)N1C[C@@H]2CCC[C@@H]21 ZINC000706885362 712158874 /nfs/dbraw/zinc/15/88/74/712158874.db2.gz UNROILJXELZUMN-UWVGGRQHSA-N 0 0 236.702 2.360 10 0 BEAERN CSC1CC(NC(=O)C(C)(C)C)C1 ZINC000707089600 712164870 /nfs/dbraw/zinc/16/48/70/712164870.db2.gz MDKJFLGDVWPUNN-UHFFFAOYSA-N 0 0 201.335 2.043 10 0 BEAERN CSC1CC(NC(=O)c2cccs2)C1 ZINC000707122813 712165405 /nfs/dbraw/zinc/16/54/05/712165405.db2.gz SLQMMZSBHYNWOV-UHFFFAOYSA-N 0 0 227.354 2.372 10 0 BEAERN CC[N@H+](C[C@H](C)C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000707952703 712173885 /nfs/dbraw/zinc/17/38/85/712173885.db2.gz XMQUSJNOLMRGTL-UWVGGRQHSA-N 0 0 215.337 2.464 10 0 BEAERN CCCCC(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707787216 712178264 /nfs/dbraw/zinc/17/82/64/712178264.db2.gz UDCZAVLTGPTTGP-LLVKDONJSA-N 0 0 211.305 2.004 10 0 BEAERN CC[C@H](C)CC(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707804098 712178357 /nfs/dbraw/zinc/17/83/57/712178357.db2.gz BSIMONGDUFDUER-JQWIXIFHSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000707787099 712178606 /nfs/dbraw/zinc/17/86/06/712178606.db2.gz SKVPWXHWDCJYLI-ZYHUDNBSSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000707809856 712179291 /nfs/dbraw/zinc/17/92/91/712179291.db2.gz ZWIJCUCCCGRWCQ-IPYPFGDCSA-N 0 0 249.354 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2occc2C)C1 ZINC000707831288 712179594 /nfs/dbraw/zinc/17/95/94/712179594.db2.gz CKILMUPEYNDZRZ-LLVKDONJSA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC000707845717 712179655 /nfs/dbraw/zinc/17/96/55/712179655.db2.gz JNBDLGUOIFHEEI-WCBMZHEXSA-N 0 0 247.285 2.105 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000707845615 712179675 /nfs/dbraw/zinc/17/96/75/712179675.db2.gz IMPLFEGLMKAEDC-ZDUSSCGKSA-N 0 0 245.322 2.436 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000707840489 712179867 /nfs/dbraw/zinc/17/98/67/712179867.db2.gz UVKIMNGVYBHNQB-NSHDSACASA-N 0 0 235.283 2.029 10 0 BEAERN CSC1CC(Nc2cc(C)ncn2)C1 ZINC000708259692 712184747 /nfs/dbraw/zinc/18/47/47/712184747.db2.gz CTWTZWXKDSSYDJ-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN CSC1CC(Nc2ccncc2Cl)C1 ZINC000708264680 712184861 /nfs/dbraw/zinc/18/48/61/712184861.db2.gz LPJHVDDJXPXIST-UHFFFAOYSA-N 0 0 228.748 2.463 10 0 BEAERN C[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H]1CO ZINC000709383387 712220627 /nfs/dbraw/zinc/22/06/27/712220627.db2.gz IWRNVRLEAQVBFR-NEPJUHHUSA-N 0 0 248.370 2.444 10 0 BEAERN O=C(NCC1CCC(F)(F)CC1)n1ccnc1 ZINC000710529119 712226438 /nfs/dbraw/zinc/22/64/38/712226438.db2.gz LURDEKRLCMQFLD-UHFFFAOYSA-N 0 0 243.257 2.266 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711622026 712312757 /nfs/dbraw/zinc/31/27/57/712312757.db2.gz ZUXZZWINLBJTMI-GMXVVIOVSA-N 0 0 225.332 2.360 10 0 BEAERN C[C@H](O)c1cccc(OCCOC2CC2)c1 ZINC000711744669 712325859 /nfs/dbraw/zinc/32/58/59/712325859.db2.gz CPUHZRSEVNARGS-JTQLQIEISA-N 0 0 222.284 2.298 10 0 BEAERN Cc1cc(=O)[nH]c(CN[C@H](C)c2ccsc2)n1 ZINC000700469553 712356029 /nfs/dbraw/zinc/35/60/29/712356029.db2.gz QEKNYASEZWFSGY-SECBINFHSA-N 0 0 249.339 2.403 10 0 BEAERN COC(=O)c1sccc1C[NH2+][C@H]1C[C@@H]1C ZINC000378659273 712356284 /nfs/dbraw/zinc/35/62/84/712356284.db2.gz FLMWOBKANXHKOE-CBAPKCEASA-N 0 0 225.313 2.033 10 0 BEAERN COC(=O)c1sccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000378659274 712356322 /nfs/dbraw/zinc/35/63/22/712356322.db2.gz FLMWOBKANXHKOE-IONNQARKSA-N 0 0 225.313 2.033 10 0 BEAERN CC(F)(F)CCNC(=O)N1CCCCC1 ZINC000379202091 712370843 /nfs/dbraw/zinc/37/08/43/712370843.db2.gz ZCYQGGAHJIDOJY-UHFFFAOYSA-N 0 0 220.263 2.227 10 0 BEAERN Cc1ccccc1N[C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000379756735 712397489 /nfs/dbraw/zinc/39/74/89/712397489.db2.gz WRGGSIWFXWMLES-RYUDHWBXSA-N 0 0 232.327 2.464 10 0 BEAERN CSC1CC(Nc2nccc3nc[nH]c32)C1 ZINC000714219064 712478875 /nfs/dbraw/zinc/47/88/75/712478875.db2.gz SBDHFUYOSNZWQL-UHFFFAOYSA-N 0 0 234.328 2.264 10 0 BEAERN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cn(C)nn1 ZINC000715882090 712539948 /nfs/dbraw/zinc/53/99/48/712539948.db2.gz KFPZJZGOUHTBNJ-VHSXEESVSA-N 0 0 248.305 2.366 10 0 BEAERN C[C@H](N[C@@H](C)c1cccs1)c1cn(C)nn1 ZINC000715887733 712540248 /nfs/dbraw/zinc/54/02/48/712540248.db2.gz CCFPCXRBRNHNSC-IUCAKERBSA-N 0 0 236.344 2.288 10 0 BEAERN CC(C)OC(=O)N[C@@H](C)c1ccns1 ZINC000716361130 712556481 /nfs/dbraw/zinc/55/64/81/712556481.db2.gz FGYJZQCJTMAWNE-ZETCQYMHSA-N 0 0 214.290 2.339 10 0 BEAERN C[C@@H](NCC(F)(F)C(F)F)[C@@H]1CCCO1 ZINC000379904089 712622777 /nfs/dbraw/zinc/62/27/77/712622777.db2.gz JKRQZUILYKADKH-RQJHMYQMSA-N 0 0 229.217 2.044 10 0 BEAERN C[C@H](NCC(F)(F)C(F)F)[C@H]1CCCO1 ZINC000379904087 712622791 /nfs/dbraw/zinc/62/27/91/712622791.db2.gz JKRQZUILYKADKH-NKWVEPMBSA-N 0 0 229.217 2.044 10 0 BEAERN COC(CN[C@H](C)c1cc(F)ccc1F)OC ZINC000037566575 712666088 /nfs/dbraw/zinc/66/60/88/712666088.db2.gz KWDFDIJLMAMSOV-MRVPVSSYSA-N 0 0 245.269 2.234 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000380005639 712669733 /nfs/dbraw/zinc/66/97/33/712669733.db2.gz PCBMTHUYRHXOGB-BDAKNGLRSA-N 0 0 226.707 2.450 10 0 BEAERN COC1CC(Nc2ccnc3ncccc23)C1 ZINC000718932982 712788752 /nfs/dbraw/zinc/78/87/52/712788752.db2.gz KLJWSFAMCBMIGH-UHFFFAOYSA-N 0 0 229.283 2.219 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ccnc2ncccc12 ZINC000718984309 712791562 /nfs/dbraw/zinc/79/15/62/712791562.db2.gz FAULFACIJVZRNU-ZWNOBZJWSA-N 0 0 243.310 2.203 10 0 BEAERN O=C([C@@H]1CCC=CCCC1)N1CC=CCN1 ZINC000719065720 712795028 /nfs/dbraw/zinc/79/50/28/712795028.db2.gz PNLGLODBPYVUPC-GFCCVEGCSA-N 0 0 220.316 2.026 10 0 BEAERN Cc1sccc1CN[C@H](C)c1cn(C)nn1 ZINC000720585533 712854943 /nfs/dbraw/zinc/85/49/43/712854943.db2.gz ZOCYHKBVSXTVCR-MRVPVSSYSA-N 0 0 236.344 2.036 10 0 BEAERN C[C@@H](Nc1nccc2occc21)c1cn(C)nn1 ZINC000720603707 712857804 /nfs/dbraw/zinc/85/78/04/712857804.db2.gz UZYNWSUVDLXULW-MRVPVSSYSA-N 0 0 243.270 2.129 10 0 BEAERN CC(C)[C@@H](C)OC(=O)/C=C\c1ccncn1 ZINC000588539351 959012091 /nfs/dbraw/zinc/01/20/91/959012091.db2.gz IXIOUYIUWCPKTD-UMCURTJPSA-N 0 0 220.272 2.078 10 0 BEAERN C[C@H]([NH2+]CCCC(=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000709121197 969037782 /nfs/dbraw/zinc/03/77/82/969037782.db2.gz DOMMRUKPTXEBRL-GMXVVIOVSA-N 0 0 225.332 2.410 10 0 BEAERN Cc1cccc(C)c1CNCc1nccn1C ZINC000130401547 1166209732 /nfs/dbraw/zinc/20/97/32/1166209732.db2.gz IAZGZROKCAPJAM-UHFFFAOYSA-N 0 0 229.327 2.327 10 0 BEAERN Cc1ccnc(NC(=O)c2cc(F)ccc2N)c1 ZINC000036882908 1166558040 /nfs/dbraw/zinc/55/80/40/1166558040.db2.gz KFOQJDOVHBMLPB-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CCC[N@H+](CC(C)C)CC1(C(=O)[O-])CC1 ZINC000691616673 976377369 /nfs/dbraw/zinc/37/73/69/976377369.db2.gz CVIMZUIRVCIRCR-UHFFFAOYSA-N 0 0 213.321 2.219 10 0 BEAERN O=C([O-])c1coc(C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000706325607 977313316 /nfs/dbraw/zinc/31/33/16/977313316.db2.gz LXPBXVWBAYZHOP-ZETCQYMHSA-N 0 0 245.225 2.065 10 0 BEAERN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000707006277 977372411 /nfs/dbraw/zinc/37/24/11/977372411.db2.gz WFOJZTJQXQQEGO-SCZZXKLOSA-N 0 0 237.324 2.349 10 0 BEAERN CC[C@@](C)([NH2+]Cc1sc(C)nc1C)C(=O)[O-] ZINC000707924100 977403783 /nfs/dbraw/zinc/40/37/83/977403783.db2.gz KPDCDLOXEZHRGH-LLVKDONJSA-N 0 0 242.344 2.103 10 0 BEAERN C[C@H]1C[N@H+](CCC(C)(C)C)C[C@]1(C)C(=O)[O-] ZINC000710242344 977497150 /nfs/dbraw/zinc/49/71/50/977497150.db2.gz IOFXTAPHFGWIFF-GWCFXTLKSA-N 0 0 227.348 2.465 10 0 BEAERN CCCCC[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC000716195296 977815674 /nfs/dbraw/zinc/81/56/74/977815674.db2.gz FWHFAVMXBINCSB-QJPTWQEYSA-N 0 0 243.347 2.035 10 0 BEAERN CCC[C@](C)([NH2+]C[C@@H]1C[C@H]1CC)C(=O)[O-] ZINC000723072697 978171807 /nfs/dbraw/zinc/17/18/07/978171807.db2.gz UYNIWALVEUHLBQ-SCVCMEIPSA-N 0 0 213.321 2.266 10 0 BEAERN COC(=O)[C@@H](CC(C)C)NC1CCCCC1 ZINC000036980693 1168413045 /nfs/dbraw/zinc/41/30/45/1168413045.db2.gz DTRSGWQKXUTKFJ-GFCCVEGCSA-N 0 0 227.348 2.496 10 0 BEAERN CCC[C@H](C)NC(=O)c1ccc(NC)cn1 ZINC000130030976 1168837037 /nfs/dbraw/zinc/83/70/37/1168837037.db2.gz IBRRYGCJGYBVMX-VIFPVBQESA-N 0 0 221.304 2.042 10 0 BEAERN Clc1ccc(CNCc2cnccn2)cc1 ZINC000054765733 1169138681 /nfs/dbraw/zinc/13/86/81/1169138681.db2.gz NZEBGURJVIWEQK-UHFFFAOYSA-N 0 0 233.702 2.420 10 0 BEAERN C[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])CS1 ZINC000689554717 954661452 /nfs/dbraw/zinc/66/14/52/954661452.db2.gz LYBAPPXPUACZIC-VHSXEESVSA-N 0 0 245.388 2.361 10 0 BEAERN COC(C)(C)CC[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000692650458 954704057 /nfs/dbraw/zinc/70/40/57/954704057.db2.gz BWWYGSJUJQQOLO-UHFFFAOYSA-N 0 0 245.363 2.234 10 0 BEAERN CC(C)C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000693453608 954755604 /nfs/dbraw/zinc/75/56/04/954755604.db2.gz ZEBMYYWSSAECEF-WOPDTQHZSA-N 0 0 227.348 2.464 10 0 BEAERN C[C@H](C[NH2+][C@H]1CCC12CCCC2)C(=O)[O-] ZINC000694397558 954774743 /nfs/dbraw/zinc/77/47/43/954774743.db2.gz QCVLFWGDDOVSCK-ZJUUUORDSA-N 0 0 211.305 2.020 10 0 BEAERN CC[C@@H](CC(F)F)C[N@H+](C)CCCC(=O)[O-] ZINC000699725034 954859393 /nfs/dbraw/zinc/85/93/93/954859393.db2.gz PMMCTUAWEZYNKN-VIFPVBQESA-N 0 0 237.290 2.464 10 0 BEAERN C[N@H+](CCCC(=O)[O-])CC1CC(C)(C)C1 ZINC000701661867 954884997 /nfs/dbraw/zinc/88/49/97/954884997.db2.gz LOXJNHLCDRSOCY-UHFFFAOYSA-N 0 0 213.321 2.219 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000706732166 954954686 /nfs/dbraw/zinc/95/46/86/954954686.db2.gz KGBAOCSFUOYHQD-NXEZZACHSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@H]1CC[N@H+](CC2=CCCC2)C[C@@H]1C(=O)[O-] ZINC000710495471 955026781 /nfs/dbraw/zinc/02/67/81/955026781.db2.gz NQSZMSHSEZBQHX-JQWIXIFHSA-N 0 0 223.316 2.139 10 0 BEAERN C/C=C(/C)C(=O)N1CCOc2nc(C)ccc21 ZINC000588383168 958078819 /nfs/dbraw/zinc/07/88/19/958078819.db2.gz ZWUIKUQBIDBOCN-WTKPLQERSA-N 0 0 232.283 2.082 10 0 BEAERN COC(=O)C[C@@H](C)OC(=O)/C=C\C(C)(C)C ZINC000588457027 958586943 /nfs/dbraw/zinc/58/69/43/958586943.db2.gz WBVXVHBGSWOAME-ATJFRQLMSA-N 0 0 228.288 2.084 10 0 BEAERN Cc1occc1COC(=O)/C=C\c1ccncn1 ZINC000588468240 958693358 /nfs/dbraw/zinc/69/33/58/958693358.db2.gz KYSBISGXBBULEJ-IHWYPQMZSA-N 0 0 244.250 2.135 10 0 BEAERN COC[C@@H](C)COC(=O)/C=C\C(C)(C)C ZINC000588485389 958752960 /nfs/dbraw/zinc/75/29/60/958752960.db2.gz ZPBGBVGPJNWPFZ-JYESYGNLSA-N 0 0 214.305 2.414 10 0 BEAERN CC/C=C(/C)C(=O)OC[C@H](C)COC ZINC000588485373 958753325 /nfs/dbraw/zinc/75/33/25/958753325.db2.gz SUHAWPIGXXCAJS-WPVMNKCKSA-N 0 0 200.278 2.168 10 0 BEAERN CC(=O)NC[C@@H](C)OC(=O)/C(C)=C\C(C)(C)C ZINC000588508135 958874320 /nfs/dbraw/zinc/87/43/20/958874320.db2.gz MESFFPQLEJYHST-UJICNMFASA-N 0 0 241.331 2.047 10 0 BEAERN CC(C)CCCOC(=O)/C=C\c1ccncn1 ZINC000588539411 959015084 /nfs/dbraw/zinc/01/50/84/959015084.db2.gz PWDPHQMFTKRXRF-WAYWQWQTSA-N 0 0 234.299 2.469 10 0 BEAERN C/C=C(/CC)C(=O)NCc1cccc(C)n1 ZINC000588566309 959187811 /nfs/dbraw/zinc/18/78/11/959187811.db2.gz MZPVCRWGTZUBKW-WCIBSUBMSA-N 0 0 218.300 2.363 10 0 BEAERN C/C=C(/CC)C(=O)NCc1cccnc1N(C)C ZINC000588565940 959190501 /nfs/dbraw/zinc/19/05/01/959190501.db2.gz BNABEHJRAJMZMJ-WZUFQYTHSA-N 0 0 247.342 2.120 10 0 BEAERN CCOC[C@@H](C)OC(=O)/C=C\c1cccnc1 ZINC000588586918 959412279 /nfs/dbraw/zinc/41/22/79/959412279.db2.gz NXNCWSVBLVEALB-JMEBYUIHSA-N 0 0 235.283 2.063 10 0 BEAERN CC/C=C(/C)C(=O)OC[C@@H]1C[C@H]1OCC ZINC000588599927 959574199 /nfs/dbraw/zinc/57/41/99/959574199.db2.gz QHFPEJDJUPDJDR-JDEZKBKISA-N 0 0 212.289 2.311 10 0 BEAERN CCC[C@H](C)OC(=O)/C=C\c1ccncn1 ZINC000588443749 960052288 /nfs/dbraw/zinc/05/22/88/960052288.db2.gz DCSVZVYSDZIJAG-OMMCCPJFSA-N 0 0 220.272 2.222 10 0 BEAERN CO[C@@H]1CCCC[C@@H]1OC(=O)c1cccnc1 ZINC000130713155 962196765 /nfs/dbraw/zinc/19/67/65/962196765.db2.gz SCXWCZXXMVFLQU-NEPJUHHUSA-N 0 0 235.283 2.196 10 0 BEAERN Cc1ccc(NC(=O)c2cc(N)ccn2)cc1 ZINC000050699911 968643863 /nfs/dbraw/zinc/64/38/63/968643863.db2.gz HYDWAMSPPLWUSY-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)CC1(C(C)C)CC1 ZINC000687533011 968879492 /nfs/dbraw/zinc/87/94/92/968879492.db2.gz CRRPJGGCQXMJLQ-JTQLQIEISA-N 0 0 213.321 2.218 10 0 BEAERN CC[C@](C)(C[N@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692122342 968912347 /nfs/dbraw/zinc/91/23/47/968912347.db2.gz HJFXAWDSRYXHHM-CYBMUJFWSA-N 0 0 245.363 2.234 10 0 BEAERN CC(C)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000694537626 968943822 /nfs/dbraw/zinc/94/38/22/968943822.db2.gz GAGMFTXMUZRSNU-RYUDHWBXSA-N 0 0 225.332 2.218 10 0 BEAERN CC[C@@H]([NH2+]C[C@@H](OC)C1CCCCC1)C(=O)[O-] ZINC000695107467 968956598 /nfs/dbraw/zinc/95/65/98/968956598.db2.gz PPPYXICPFJINPJ-VXGBXAGGSA-N 0 0 243.347 2.035 10 0 BEAERN C[C@H](SCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695277230 968958019 /nfs/dbraw/zinc/95/80/19/968958019.db2.gz XRBAPWDAKAXSQZ-JTQLQIEISA-N 0 0 231.361 2.069 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000695962643 968960554 /nfs/dbraw/zinc/96/05/54/968960554.db2.gz UZKKKQCPWMTEIO-USWWRNFRSA-N 0 0 225.332 2.408 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000718074699 969099018 /nfs/dbraw/zinc/09/90/18/969099018.db2.gz YMFQZPWTSSPKAQ-MWLCHTKSSA-N 0 0 237.299 2.131 10 0 BEAERN Cc1ccc(CNC(=O)c2ccc(F)cc2N)o1 ZINC000062823477 969878565 /nfs/dbraw/zinc/87/85/65/969878565.db2.gz HVODWMKEKPBTBX-UHFFFAOYSA-N 0 0 248.257 2.239 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)C(=O)[O-] ZINC000686347415 976106327 /nfs/dbraw/zinc/10/63/27/976106327.db2.gz BDTXUPXAODNBAM-BJDJZHNGSA-N 0 0 243.347 2.033 10 0 BEAERN C[C@@H](Cc1ccsc1)[N@H+](C)C(C)(C)C(=O)[O-] ZINC000689949642 976271054 /nfs/dbraw/zinc/27/10/54/976271054.db2.gz SEBMDOIGESAWIV-VIFPVBQESA-N 0 0 241.356 2.474 10 0 BEAERN C[C@H]1CCC[C@@H]([N@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628043 976378865 /nfs/dbraw/zinc/37/88/65/976378865.db2.gz LAFNUKPNKPQDAX-WDEREUQCSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635465 976378963 /nfs/dbraw/zinc/37/89/63/976378963.db2.gz TVBHSVUNQYWRSM-VWYCJHECSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691868610 976386835 /nfs/dbraw/zinc/38/68/35/976386835.db2.gz SABGIXDWWQEFGA-UWVGGRQHSA-N 0 0 243.347 2.033 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000692681719 976533943 /nfs/dbraw/zinc/53/39/43/976533943.db2.gz ZTIPWVFUVGXRCY-ZDUSSCGKSA-N 0 0 245.278 2.238 10 0 BEAERN C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693043778 976578621 /nfs/dbraw/zinc/57/86/21/976578621.db2.gz AKBRTOQRKDLNEK-LBELIVKGSA-N 0 0 237.343 2.218 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CCCC1CCC1 ZINC000694010275 976662385 /nfs/dbraw/zinc/66/23/85/976662385.db2.gz ZBUKQFCRYULKON-UHFFFAOYSA-N 0 0 213.321 2.410 10 0 BEAERN O=C([O-])[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000695100066 976777724 /nfs/dbraw/zinc/77/77/24/976777724.db2.gz BMYTZXVNLLGUEC-BDAKNGLRSA-N 0 0 233.258 2.017 10 0 BEAERN Cc1oc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1C(=O)[O-] ZINC000698224609 976884746 /nfs/dbraw/zinc/88/47/46/976884746.db2.gz HKYIEMJFAHKDTC-GWCFXTLKSA-N 0 0 249.310 2.422 10 0 BEAERN O=C([O-])c1occc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698387809 976890999 /nfs/dbraw/zinc/89/09/99/976890999.db2.gz MECLHQZGFYHCBX-QWRGUYRKSA-N 0 0 235.283 2.114 10 0 BEAERN Cc1[nH]c(C[NH2+]C2(C3CC3)CC2)cc1C(=O)[O-] ZINC000700001145 976932328 /nfs/dbraw/zinc/93/23/28/976932328.db2.gz COTUFXFUQJHXKU-UHFFFAOYSA-N 0 0 234.299 2.054 10 0 BEAERN C[C@@H]([NH2+]Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000701723967 977034817 /nfs/dbraw/zinc/03/48/17/977034817.db2.gz KTDFRYMWGBLPBA-SSDOTTSWSA-N 0 0 225.313 2.334 10 0 BEAERN CC(C)(CC[NH2+]CCC1(F)CCC1)C(=O)[O-] ZINC000702449204 977084875 /nfs/dbraw/zinc/08/48/75/977084875.db2.gz GLWPYDUORRMPRT-UHFFFAOYSA-N 0 0 231.311 2.359 10 0 BEAERN O=C([O-])CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703838667 977207796 /nfs/dbraw/zinc/20/77/96/977207796.db2.gz AQVPAXCHSRUWCP-MNOVXSKESA-N 0 0 243.372 2.211 10 0 BEAERN CCCC[C@H](C(=O)[O-])[N@H+](C)CC(O)(CC)CC ZINC000706413588 977314751 /nfs/dbraw/zinc/31/47/51/977314751.db2.gz ZHGNSGICCPFKMN-LLVKDONJSA-N 0 0 245.363 2.113 10 0 BEAERN C[C@H]([NH2+]Cc1occc1C(=O)[O-])C1(C)CC1 ZINC000706599841 977356032 /nfs/dbraw/zinc/35/60/32/977356032.db2.gz VABHAIPBMFACQH-QMMMGPOBSA-N 0 0 223.272 2.256 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccccc2C(=O)[O-])[C@@H]1C ZINC000706732186 977359585 /nfs/dbraw/zinc/35/95/85/977359585.db2.gz KWLCLWPYAHCTMH-NXEZZACHSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1C ZINC000706736445 977360447 /nfs/dbraw/zinc/36/04/47/977360447.db2.gz XIOHKVIPBDMWII-BDAKNGLRSA-N 0 0 237.274 2.364 10 0 BEAERN CC[C@H]([NH2+]CC[C@@H]1CC=CCC1)C(=O)[O-] ZINC000706753963 977360837 /nfs/dbraw/zinc/36/08/37/977360837.db2.gz KMKMXPBIRBKBDJ-MNOVXSKESA-N 0 0 211.305 2.186 10 0 BEAERN O=C([O-])CC1(C[N@@H+]2C[C@H]3CCCC[C@H]32)CC1 ZINC000706744851 977360944 /nfs/dbraw/zinc/36/09/44/977360944.db2.gz SLWVKVKJYCNIJG-GHMZBOCLSA-N 0 0 223.316 2.116 10 0 BEAERN O=C([O-])[C@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC1 ZINC000706884630 977366644 /nfs/dbraw/zinc/36/66/44/977366644.db2.gz XUEXMSMMDXSPIQ-ZYHUDNBSSA-N 0 0 223.316 2.186 10 0 BEAERN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2)[C@@H]1C ZINC000706911482 977367584 /nfs/dbraw/zinc/36/75/84/977367584.db2.gz BABVMQCCRZCBFI-FOGDFJRCSA-N 0 0 219.284 2.153 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000706915258 977368833 /nfs/dbraw/zinc/36/88/33/977368833.db2.gz MWTZLBWDCFNSNE-JGVFFNPUSA-N 0 0 225.313 2.287 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706948113 977370703 /nfs/dbraw/zinc/37/07/03/977370703.db2.gz KSICUOROUZERBB-SDDRHHMPSA-N 0 0 225.332 2.360 10 0 BEAERN CC[N@H+](CCCCC(C)C)CC(=O)[O-] ZINC000707378314 977389392 /nfs/dbraw/zinc/38/93/92/977389392.db2.gz NBYAZCIYIKEIGS-UHFFFAOYSA-N 0 0 201.310 2.219 10 0 BEAERN CCC(C)(C)CC[NH2+][C@@](CC)(COC)C(=O)[O-] ZINC000711294761 977534008 /nfs/dbraw/zinc/53/40/08/977534008.db2.gz JFKREAQEUFYUIV-ZDUSSCGKSA-N 0 0 245.363 2.282 10 0 BEAERN CCC1C[NH+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000711391654 977541861 /nfs/dbraw/zinc/54/18/61/977541861.db2.gz YASWOTSCOBAHSJ-UHFFFAOYSA-N 0 0 225.313 2.288 10 0 BEAERN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC000711424378 977545647 /nfs/dbraw/zinc/54/56/47/977545647.db2.gz XTNQKSWBDDPEPU-SFYZADRCSA-N 0 0 225.313 2.287 10 0 BEAERN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC000711424380 977546797 /nfs/dbraw/zinc/54/67/97/977546797.db2.gz XTNQKSWBDDPEPU-YUMQZZPRSA-N 0 0 225.313 2.287 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@@H]1C=CCC1)C(=O)[O-] ZINC000711732898 977569983 /nfs/dbraw/zinc/56/99/83/977569983.db2.gz UQLZTEVLJDJFEI-GHMZBOCLSA-N 0 0 211.305 2.186 10 0 BEAERN CCCC[C@H]([NH2+]CCC(C)(C)OC)C(=O)[O-] ZINC000711867526 977575404 /nfs/dbraw/zinc/57/54/04/977575404.db2.gz VFKUPETZJYGULH-JTQLQIEISA-N 0 0 231.336 2.035 10 0 BEAERN CC(C)(C[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000712381227 977581650 /nfs/dbraw/zinc/58/16/50/977581650.db2.gz ABYFOXFHUGFUGV-DCAQKATOSA-N 0 0 225.332 2.266 10 0 BEAERN CC1(C)CC[C@H]([NH2+]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC000715248569 977706695 /nfs/dbraw/zinc/70/66/95/977706695.db2.gz MZPPVODBBFUSSN-CIUDSAMLSA-N 0 0 247.285 2.121 10 0 BEAERN C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715299924 977731777 /nfs/dbraw/zinc/73/17/77/977731777.db2.gz ZAKMNMKQDKIFRI-IWSPIJDZSA-N 0 0 249.301 2.367 10 0 BEAERN O=C([O-])[C@H]1[C@@H](C[NH2+]CCCC2CCC2)C1(F)F ZINC000715305740 977735271 /nfs/dbraw/zinc/73/52/71/977735271.db2.gz XTVVPRUFCSCQAM-NXEZZACHSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@H](C[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC000715665178 977777491 /nfs/dbraw/zinc/77/74/91/977777491.db2.gz AZYBNGGACOWMEJ-HRDYMLBCSA-N 0 0 249.301 2.224 10 0 BEAERN CC(C)C[C@@H]([NH2+][C@@H](C)c1ccns1)C(=O)[O-] ZINC000715990925 977803821 /nfs/dbraw/zinc/80/38/21/977803821.db2.gz GUZONZSUESGAJL-DTWKUNHWSA-N 0 0 242.344 2.293 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000718058847 977937594 /nfs/dbraw/zinc/93/75/94/977937594.db2.gz QFIYGXRWWMAZLD-UHTWSYAYSA-N 0 0 249.310 2.273 10 0 BEAERN CSCC1CC[NH+](C/C(C)=C/C(=O)[O-])CC1 ZINC000719237991 977996864 /nfs/dbraw/zinc/99/68/64/977996864.db2.gz NYSZJVXVVJFHQT-JXMROGBWSA-N 0 0 243.372 2.092 10 0 BEAERN CCC[C@@](C)([NH2+]C[C@H](COC)C(C)C)C(=O)[O-] ZINC000721885065 978128851 /nfs/dbraw/zinc/12/88/51/978128851.db2.gz XQBJPXWWGQWHQJ-DGCLKSJQSA-N 0 0 245.363 2.138 10 0 BEAERN C/C(=C/C[NH+]1CCC(C2CC2)CC1)C(=O)[O-] ZINC000724687603 978234837 /nfs/dbraw/zinc/23/48/37/978234837.db2.gz NNRLLJLZDLGOFE-WMZJFQQLSA-N 0 0 223.316 2.139 10 0 BEAERN CCCN(CCC(C)=O)CC(F)(F)F ZINC000042776530 1171257004 /nfs/dbraw/zinc/25/70/04/1171257004.db2.gz FETRWLMKHISIQH-UHFFFAOYSA-N 0 0 211.227 2.240 10 0 BEAERN CNC(=O)CCNc1nc2cc(C)ccc2s1 ZINC000045005693 1171428905 /nfs/dbraw/zinc/42/89/05/1171428905.db2.gz YNKOADSVGNKCBH-UHFFFAOYSA-N 0 0 249.339 2.153 10 0 BEAERN Cc1cccc(N(C)C(=O)c2cc(N)ccn2)c1 ZINC000050707976 1171828884 /nfs/dbraw/zinc/82/88/84/1171828884.db2.gz SIHWEJNZRVISAJ-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CNc1ncccc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000050728853 1171832873 /nfs/dbraw/zinc/83/28/73/1171832873.db2.gz XQQXXZWOODIBCC-CMPLNLGQSA-N 0 0 247.342 2.432 10 0 BEAERN Nc1cccc(-c2n[nH]c3c2CSCC3)c1 ZINC000685953218 538897633 /nfs/dbraw/zinc/89/76/33/538897633.db2.gz UUBYBBGQOQEGAU-UHFFFAOYSA-N 0 0 231.324 2.448 10 0 BEAERN CCCCn1nc2c(c1N)C[C@H](C)CC2 ZINC000685953641 538897703 /nfs/dbraw/zinc/89/77/03/538897703.db2.gz XYMQXFIQENKKEP-SECBINFHSA-N 0 0 207.321 2.390 10 0 BEAERN CCn1ncc2cncc(Br)c21 ZINC000685953626 538897991 /nfs/dbraw/zinc/89/79/91/538897991.db2.gz XPOROXOMWLIOCJ-UHFFFAOYSA-N 0 0 226.077 2.214 10 0 BEAERN Cc1cc(C)cc(OCn2cc(N)cn2)c1 ZINC000002535037 177914176 /nfs/dbraw/zinc/91/41/76/177914176.db2.gz ULRUBHHZVYVEDL-UHFFFAOYSA-N 0 0 217.272 2.119 10 0 BEAERN CCOC(=O)C(F)(F)CSCCSC ZINC000685955232 538900823 /nfs/dbraw/zinc/90/08/23/538900823.db2.gz BCEWRJZTZMLAEX-UHFFFAOYSA-N 0 0 244.328 2.281 10 0 BEAERN C[C@H]1CCC[C@@H](OCC(F)(F)C[NH3+])C1 ZINC000685955975 538901734 /nfs/dbraw/zinc/90/17/34/538901734.db2.gz GYWZISFJWOAKAR-DTWKUNHWSA-N 0 0 207.264 2.176 10 0 BEAERN CCCSCC(F)(F)C(=O)OCC ZINC000685955964 538901799 /nfs/dbraw/zinc/90/17/99/538901799.db2.gz VYCLGMRONYTZJZ-UHFFFAOYSA-N 0 0 212.261 2.328 10 0 BEAERN CCC(C)(CC)NC(=O)c1cc(N(C)C)ccn1 ZINC000123903536 168309902 /nfs/dbraw/zinc/30/99/02/168309902.db2.gz JXVCIGLLRQODMR-UHFFFAOYSA-N 0 0 249.358 2.456 10 0 BEAERN O=Cc1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685956253 538902236 /nfs/dbraw/zinc/90/22/36/538902236.db2.gz PLOCFYQNJKEITC-UHFFFAOYSA-N 0 0 213.451 2.049 10 0 BEAERN CCC(C)(CC)NC(=O)c1cc(C)n[nH]1 ZINC000112937645 168309999 /nfs/dbraw/zinc/30/99/99/168309999.db2.gz ARKZOOCALMVKFU-UHFFFAOYSA-N 0 0 209.293 2.027 10 0 BEAERN CCC(C)(CC)NC(=O)c1ccc2n[nH]nc2c1 ZINC000112937938 168310345 /nfs/dbraw/zinc/31/03/45/168310345.db2.gz ZXURCLCREONCDI-UHFFFAOYSA-N 0 0 246.314 2.266 10 0 BEAERN O=C1C[C@H](c2cnsc2)C2(CCCCC2)N1 ZINC000685958630 538906021 /nfs/dbraw/zinc/90/60/21/538906021.db2.gz BURLGCXYJAZHNN-SNVBAGLBSA-N 0 0 236.340 2.450 10 0 BEAERN C[C@H]1C(=O)NC2(CCCCC2)[C@H]1C1CC1 ZINC000685958373 538906038 /nfs/dbraw/zinc/90/60/38/538906038.db2.gz MQDRICIMGKDYMZ-MWLCHTKSSA-N 0 0 207.317 2.481 10 0 BEAERN COC(=O)C1=C(O)CC2(C1)CCCCC2 ZINC000685959013 538906218 /nfs/dbraw/zinc/90/62/18/538906218.db2.gz INVSDCMMHDENCQ-SECBINFHSA-N 0 0 210.273 2.089 10 0 BEAERN C[C@H]1OCC[C@@]12CC(=O)NC21CCCCC1 ZINC000685958918 538906411 /nfs/dbraw/zinc/90/64/11/538906411.db2.gz IDTDBYXINSLRCT-ZYHUDNBSSA-N 0 0 223.316 2.004 10 0 BEAERN O=C1CC2(CCOCC2)C2(CCCCC2)N1 ZINC000685959059 538906488 /nfs/dbraw/zinc/90/64/88/538906488.db2.gz JGCGXGYVZCCXPV-UHFFFAOYSA-N 0 0 223.316 2.006 10 0 BEAERN CCC[C@H](C)[C@H]1CC(=O)NC12CCOCC2 ZINC000685958686 538906589 /nfs/dbraw/zinc/90/65/89/538906589.db2.gz DOSQTJLEWKIRID-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN Cc1cc(C(=O)CNC(=O)OC(C)(C)C)co1 ZINC000685959554 538906634 /nfs/dbraw/zinc/90/66/34/538906634.db2.gz ZQEZXYKQIULWJI-UHFFFAOYSA-N 0 0 239.271 2.295 10 0 BEAERN CCC[C@]1(C)[C@@H](C)C(=O)NC12CCOCC2 ZINC000685960081 538907065 /nfs/dbraw/zinc/90/70/65/538907065.db2.gz YZEODPYHLKXLBD-CMPLNLGQSA-N 0 0 225.332 2.108 10 0 BEAERN COCC[C@@]1(C)CC(=O)NC12CCCCC2 ZINC000685960026 538907238 /nfs/dbraw/zinc/90/72/38/538907238.db2.gz XPJSIBTXQZQIFQ-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN O=C1C[C@H](c2ccns2)C2(CCCCC2)N1 ZINC000685960118 538907890 /nfs/dbraw/zinc/90/78/90/538907890.db2.gz ZQTGKTIXYMDGQE-SECBINFHSA-N 0 0 236.340 2.450 10 0 BEAERN COc1ccc2c(c1)N[C@H](C(C)C)[C@@H](O)C2 ZINC000685962929 538909570 /nfs/dbraw/zinc/90/95/70/538909570.db2.gz AMZYGWCHEFTBHJ-QWHCGFSZSA-N 0 0 221.300 2.049 10 0 BEAERN Cc1nc2ccc(Cl)cc2cc1NN ZINC000685962931 538909767 /nfs/dbraw/zinc/90/97/67/538909767.db2.gz AOQGXAWWLCFUBB-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN COc1ccc2c(c1)N[C@H](C(C)C)[C@H](O)C2 ZINC000685962927 538909823 /nfs/dbraw/zinc/90/98/23/538909823.db2.gz AMZYGWCHEFTBHJ-CHWSQXEVSA-N 0 0 221.300 2.049 10 0 BEAERN CCC[C@H]1Nc2ccc(OC)cc2C[C@@H]1O ZINC000685963469 538910010 /nfs/dbraw/zinc/91/00/10/538910010.db2.gz PBIRPYWPWCICBL-OLZOCXBDSA-N 0 0 221.300 2.193 10 0 BEAERN Cc1cc(C)n(Cc2ccccc2N)n1 ZINC000019281263 177931099 /nfs/dbraw/zinc/93/10/99/177931099.db2.gz JGEWVVHVZRCUQB-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN O[C@H]1Cc2ccccc2N[C@H]1C1CCC1 ZINC000685963212 538910213 /nfs/dbraw/zinc/91/02/13/538910213.db2.gz JNZSVGZXGGGYOX-STQMWFEESA-N 0 0 203.285 2.184 10 0 BEAERN COC(=O)c1coc2c1ccc(F)c2F ZINC000685952169 538896385 /nfs/dbraw/zinc/89/63/85/538896385.db2.gz YHBGDFMUITYXPT-UHFFFAOYSA-N 0 0 212.151 2.498 10 0 BEAERN O=Cc1ccc(-c2cncc3c[nH]nc32)s1 ZINC000685952250 538896410 /nfs/dbraw/zinc/89/64/10/538896410.db2.gz BXJUMBIJTYJNQY-UHFFFAOYSA-N 0 0 229.264 2.499 10 0 BEAERN CCCCn1nc2c(c1N)CSCC2 ZINC000685952409 538896496 /nfs/dbraw/zinc/89/64/96/538896496.db2.gz JVGGRZWPVUTBEF-UHFFFAOYSA-N 0 0 211.334 2.055 10 0 BEAERN CCn1nc2c(c1N)C[C@H](C(C)C)CC2 ZINC000685952826 538896816 /nfs/dbraw/zinc/89/68/16/538896816.db2.gz QLOWGSMDYORQTF-SECBINFHSA-N 0 0 207.321 2.246 10 0 BEAERN CCCC(CCC)c1n[nH]nc1C(=O)OC ZINC000685953220 538897176 /nfs/dbraw/zinc/89/71/76/538897176.db2.gz HTCYTXDKBXRJHG-UHFFFAOYSA-N 0 0 225.292 2.275 10 0 BEAERN CCOC[C@H](C)[NH2+]Cc1ccc(CC)o1 ZINC000051724985 136210006 /nfs/dbraw/zinc/21/00/06/136210006.db2.gz BGXOXNSMYROVLI-JTQLQIEISA-N 0 0 211.305 2.357 10 0 BEAERN CCC[C@@H]1Nc2ccc(C)cc2C[C@H]1O ZINC000685963830 538910717 /nfs/dbraw/zinc/91/07/17/538910717.db2.gz XWYFDENCGKLMBO-QWHCGFSZSA-N 0 0 205.301 2.493 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@@H](C(C)C)N2 ZINC000685963814 538910759 /nfs/dbraw/zinc/91/07/59/538910759.db2.gz XIVKMORWTJCKIB-DGCLKSJQSA-N 0 0 221.300 2.049 10 0 BEAERN C=C(OCC)c1nc(Cl)nc(OCCC)n1 ZINC000685964999 538911302 /nfs/dbraw/zinc/91/13/02/538911302.db2.gz KFBRONDAXWIJLR-UHFFFAOYSA-N 0 0 243.694 2.321 10 0 BEAERN C=C(OCC)c1nc(Cl)nc(Cl)n1 ZINC000685965146 538911546 /nfs/dbraw/zinc/91/15/46/538911546.db2.gz QDWDVUSXPATEBB-UHFFFAOYSA-N 0 0 220.059 2.186 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H](CC1CC1)N2 ZINC000685963431 538912781 /nfs/dbraw/zinc/91/27/81/538912781.db2.gz OGIIEEKJNDTOKP-KGLIPLIRSA-N 0 0 217.312 2.493 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cocn2)C1 ZINC000616611752 349460891 /nfs/dbraw/zinc/46/08/91/349460891.db2.gz NERRMKZMTAFOTI-SECBINFHSA-N 0 0 238.287 2.399 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000155643598 136213346 /nfs/dbraw/zinc/21/33/46/136213346.db2.gz PZEXZMVOLKDXLG-MNOVXSKESA-N 0 0 213.321 2.199 10 0 BEAERN Cc1ccc(F)cc1C1N=NC(=S)N1 ZINC000062666546 346813355 /nfs/dbraw/zinc/81/33/55/346813355.db2.gz NHZBJQDMJLBLJN-UHFFFAOYSA-N 0 0 209.249 2.208 10 0 BEAERN CC(C)(C)[C@H]1CC[C@@](C[NH3+])(CC(=O)[O-])C1 ZINC000033975537 187321332 /nfs/dbraw/zinc/32/13/32/187321332.db2.gz IXSSATLCJUPVIE-CABZTGNLSA-N 0 0 213.321 2.252 10 0 BEAERN CCOP(=O)(C[C@@H](O)CC)OCC ZINC000196600503 349507217 /nfs/dbraw/zinc/50/72/17/349507217.db2.gz HHDWGFBRTJYZKM-QMMMGPOBSA-N 0 0 210.210 2.023 10 0 BEAERN NC(=O)N1CC[C@@H](c2cccc3ccncc32)C1 ZINC000616612251 349507939 /nfs/dbraw/zinc/50/79/39/349507939.db2.gz ORGWOHVLLGQWBL-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN CCC(CC)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000193128460 168334730 /nfs/dbraw/zinc/33/47/30/168334730.db2.gz SVGOKHNTYAITPB-CYBMUJFWSA-N 0 0 249.358 2.310 10 0 BEAERN Cc1cc(CNC(=O)N[C@@H]2C[C@@H]2C)ccc1F ZINC000170808995 178013804 /nfs/dbraw/zinc/01/38/04/178013804.db2.gz KFOKKUOIAPNHRY-JOYOIKCWSA-N 0 0 236.290 2.342 10 0 BEAERN CNc1nc(-c2ccc(Cl)s2)no1 ZINC000306683228 398171845 /nfs/dbraw/zinc/17/18/45/398171845.db2.gz VCTLSTOEEGWQMZ-UHFFFAOYSA-N 0 0 215.665 2.493 10 0 BEAERN CC(C)(CC(=O)N[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000645086471 398174703 /nfs/dbraw/zinc/17/47/03/398174703.db2.gz KVTVDIANORNWJY-RYUDHWBXSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(CNc2ccccc2N)no1 ZINC000044690632 178044441 /nfs/dbraw/zinc/04/44/41/178044441.db2.gz UWXSEIDOSKJXRS-UHFFFAOYSA-N 0 0 203.245 2.177 10 0 BEAERN Cc1cc(CNc2ccnc(Cl)n2)on1 ZINC000051850257 178044454 /nfs/dbraw/zinc/04/44/54/178044454.db2.gz FUUDFDTVHMQQEQ-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1nnc(Sc2ccc(CO)cc2C)n1C ZINC000104290044 178045607 /nfs/dbraw/zinc/04/56/07/178045607.db2.gz FVMKRTCGYAGNCP-UHFFFAOYSA-N 0 0 249.339 2.075 10 0 BEAERN Cc1cc(CO)cc(C)c1OCCn1cccn1 ZINC000049325532 178045912 /nfs/dbraw/zinc/04/59/12/178045912.db2.gz OOVNMGBRDZYWFA-UHFFFAOYSA-N 0 0 246.310 2.071 10 0 BEAERN Cc1cc(CNc2nsnc2Cl)no1 ZINC000044728680 178046104 /nfs/dbraw/zinc/04/61/04/178046104.db2.gz YMCCQCAULWZVRF-UHFFFAOYSA-N 0 0 230.680 2.100 10 0 BEAERN Cc1cc(CO)nn1-c1ccc(Cl)cc1 ZINC000019045793 178046193 /nfs/dbraw/zinc/04/61/93/178046193.db2.gz DBQQTYYMMBVQOG-UHFFFAOYSA-N 0 0 222.675 2.326 10 0 BEAERN CCN1C(=O)Cc2ccc(Br)cc21 ZINC000221928229 349515863 /nfs/dbraw/zinc/51/58/63/349515863.db2.gz VTWLVQNFOKUACP-UHFFFAOYSA-N 0 0 240.100 2.358 10 0 BEAERN Brc1cnn2c1NC[C@H]1CCC[C@H]12 ZINC000232457650 398180931 /nfs/dbraw/zinc/18/09/31/398180931.db2.gz QZKQHTKWRGWHQG-HTRCEHHLSA-N 0 0 242.120 2.412 10 0 BEAERN Brc1cnn2c1NCC[C@H]2C1CC1 ZINC000232457708 398181046 /nfs/dbraw/zinc/18/10/46/398181046.db2.gz YODKMRQZCHKUCG-QMMMGPOBSA-N 0 0 242.120 2.412 10 0 BEAERN O[C@@H](Cc1nccs1)[C@H]1CCCSC1 ZINC000307400524 398160810 /nfs/dbraw/zinc/16/08/10/398160810.db2.gz AGBVUHFYMRQEDE-IUCAKERBSA-N 0 0 229.370 2.190 10 0 BEAERN C[C@H]1Cc2c(nc3scnn23)[C@@H](C)C1 ZINC000232280675 398166579 /nfs/dbraw/zinc/16/65/79/398166579.db2.gz YJJDZWXUJQULCO-RQJHMYQMSA-N 0 0 207.302 2.477 10 0 BEAERN Cc1cc(F)ccc1-c1ncn(C)c1N ZINC000104848101 178080585 /nfs/dbraw/zinc/08/05/85/178080585.db2.gz JBBSHFIRSXGLEO-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cc1cc(F)ccc1-c1nnc([C@H](C)N)o1 ZINC000083351084 178080998 /nfs/dbraw/zinc/08/09/98/178080998.db2.gz DSVYJPKSGSKYCA-ZETCQYMHSA-N 0 0 221.235 2.204 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@@H]1C[C@H]1C ZINC000137521663 178084017 /nfs/dbraw/zinc/08/40/17/178084017.db2.gz LNXSVISQHBUHNI-LDYMZIIASA-N 0 0 207.248 2.272 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H]1C ZINC000135574245 178084082 /nfs/dbraw/zinc/08/40/82/178084082.db2.gz GJIIMRHLPZCKFO-JOYOIKCWSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1cc(F)ccc1NC(=O)c1ccc(N)nc1 ZINC000050699734 178089714 /nfs/dbraw/zinc/08/97/14/178089714.db2.gz PIRYNEVFRDRONU-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1cc(F)ccc1S(=O)(=O)C(F)F ZINC000041243865 178090956 /nfs/dbraw/zinc/09/09/56/178090956.db2.gz KCMDYBWKVROKQY-UHFFFAOYSA-N 0 0 224.203 2.130 10 0 BEAERN Cc1cc(F)ccc1N[C@H](C)C(=O)N(C)C ZINC000058181714 178091326 /nfs/dbraw/zinc/09/13/26/178091326.db2.gz VJYMOGMHHBRZAV-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1cc(F)ccc1[C@@H]1NC(=O)[C@H]2CCCCN21 ZINC000078758616 178091656 /nfs/dbraw/zinc/09/16/56/178091656.db2.gz LKVVKMZLFZVEEQ-CHWSQXEVSA-N 0 0 248.301 2.117 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000115360715 398191628 /nfs/dbraw/zinc/19/16/28/398191628.db2.gz FHWOKMVEWXIFSM-BXKDBHETSA-N 0 0 233.286 2.382 10 0 BEAERN Cc1cc(N(C)C)c2c([O-])ccc(O)c2[nH+]1 ZINC000255975057 178094017 /nfs/dbraw/zinc/09/40/17/178094017.db2.gz GTLKJZLYLVYLCW-UHFFFAOYSA-N 0 0 218.256 2.020 10 0 BEAERN CC[C@H](C)C[C@H](ON)C(=O)OC(C)(C)C ZINC000536960676 398199828 /nfs/dbraw/zinc/19/98/28/398199828.db2.gz RLKCORLXGHJCPE-IUCAKERBSA-N 0 0 217.309 2.023 10 0 BEAERN FC1(F)CC[C@@]2(c3ccccn3)O[C@H]2C1 ZINC000536960669 398199980 /nfs/dbraw/zinc/19/99/80/398199980.db2.gz SIATWDHWWUBBSI-ONGXEEELSA-N 0 0 211.211 2.495 10 0 BEAERN Cc1cc(N)c(C=O)cc1Br ZINC000238558200 178103748 /nfs/dbraw/zinc/10/37/48/178103748.db2.gz LUVYCXRJTVALQY-UHFFFAOYSA-N 0 0 214.062 2.152 10 0 BEAERN Cc1cc(N)c(NC(=O)[C@H]2C[C@H]2C)cc1C ZINC000050438984 178103755 /nfs/dbraw/zinc/10/37/55/178103755.db2.gz LPVGCHXHMDIPBM-ZJUUUORDSA-N 0 0 218.300 2.480 10 0 BEAERN Cc1cc(N)ccc1N1CCC[C@H]1CCCO ZINC000052760082 178106032 /nfs/dbraw/zinc/10/60/32/178106032.db2.gz MOXNWTVNSGOPHO-ZDUSSCGKSA-N 0 0 234.343 2.319 10 0 BEAERN Nc1cc(C(F)(F)F)ccc1CCCO ZINC000258693197 349516654 /nfs/dbraw/zinc/51/66/54/349516654.db2.gz YXGHPEAJVRWXIK-UHFFFAOYSA-N 0 0 219.206 2.213 10 0 BEAERN Cc1cc(N)ccc1Sc1nccn1C ZINC000036950294 178108174 /nfs/dbraw/zinc/10/81/74/178108174.db2.gz LUTIKCCUMLOKQQ-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN Cc1nn(-c2ncc(N)cc2C)c(C)c1C ZINC000052813593 178108198 /nfs/dbraw/zinc/10/81/98/178108198.db2.gz FYRNHVTVIGQJQW-UHFFFAOYSA-N 0 0 216.288 2.083 10 0 BEAERN Cc1cc(N)nc(COc2ccccc2F)n1 ZINC000071536769 178109266 /nfs/dbraw/zinc/10/92/66/178109266.db2.gz YAJBZOULHOIQMK-UHFFFAOYSA-N 0 0 233.246 2.085 10 0 BEAERN Cc1cc(N)nc(COc2cccc(F)c2)n1 ZINC000071536770 178110207 /nfs/dbraw/zinc/11/02/07/178110207.db2.gz BQYNLCIPRMEZMG-UHFFFAOYSA-N 0 0 233.246 2.085 10 0 BEAERN O[C@@H](c1sccc1F)C1=CCCO1 ZINC000306485822 398203939 /nfs/dbraw/zinc/20/39/39/398203939.db2.gz RTGLNRGLEJVKGM-MRVPVSSYSA-N 0 0 200.234 2.225 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ncccc1Br ZINC000306518124 398208556 /nfs/dbraw/zinc/20/85/56/398208556.db2.gz BOOISHWYHRTRDK-NKWVEPMBSA-N 0 0 245.120 2.025 10 0 BEAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)n(C)n1 ZINC000330213943 178138044 /nfs/dbraw/zinc/13/80/44/178138044.db2.gz LJIZXWAZFFDXGI-WDEREUQCSA-N 0 0 248.330 2.135 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)n(C)n1 ZINC000049376908 178145470 /nfs/dbraw/zinc/14/54/70/178145470.db2.gz DMZBZSWPTRQSST-VHSXEESVSA-N 0 0 245.282 2.064 10 0 BEAERN Cc1cc(NC(=O)c2cc(N)c(C)s2)on1 ZINC000040296086 178150632 /nfs/dbraw/zinc/15/06/32/178150632.db2.gz YAWOITGYXNRSOY-UHFFFAOYSA-N 0 0 237.284 2.187 10 0 BEAERN Cc1cc(NC2CCC(O)CC2)nc(Cl)n1 ZINC000052814234 178154631 /nfs/dbraw/zinc/15/46/31/178154631.db2.gz UVQFGCWMAPAHJM-UHFFFAOYSA-N 0 0 241.722 2.154 10 0 BEAERN Cc1cc2ncnn2c(NCC(C)C)c1 ZINC000035047922 178156939 /nfs/dbraw/zinc/15/69/39/178156939.db2.gz CLYCDSVNPFIHGJ-UHFFFAOYSA-N 0 0 204.277 2.106 10 0 BEAERN CC(C)=CC(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000238916714 187329667 /nfs/dbraw/zinc/32/96/67/187329667.db2.gz SPMUXSMEIZMZLU-LBPRGKRZSA-N 0 0 246.310 2.028 10 0 BEAERN Cc1cc(NC[C@@H]2CCOC2)ccc1N ZINC000061146703 178166449 /nfs/dbraw/zinc/16/64/49/178166449.db2.gz BHYSXODQZDFCMA-JTQLQIEISA-N 0 0 206.289 2.026 10 0 BEAERN Cc1ccc([C@](C)(O)CNc2cc(C)ncn2)o1 ZINC000301410562 178167053 /nfs/dbraw/zinc/16/70/53/178167053.db2.gz JUEIXALLJKSIAY-CYBMUJFWSA-N 0 0 247.298 2.006 10 0 BEAERN Cc1cc(NC[C@@]2(C)CCCO2)nnc1C ZINC000302788721 178167323 /nfs/dbraw/zinc/16/73/23/178167323.db2.gz COGBQUIVRVKWNS-GFCCVEGCSA-N 0 0 221.304 2.074 10 0 BEAERN Cc1cc(NCc2ccsc2)nn1C ZINC000020351655 178174128 /nfs/dbraw/zinc/17/41/28/178174128.db2.gz CLLXNWNNSJHBGF-UHFFFAOYSA-N 0 0 207.302 2.402 10 0 BEAERN Cc1cc(NCc2cccnc2)nc(Cl)n1 ZINC000052814293 178174407 /nfs/dbraw/zinc/17/44/07/178174407.db2.gz ZIXMTZWFEOJAQG-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C1=CC(=S)CS1 ZINC000235618419 398221078 /nfs/dbraw/zinc/22/10/78/398221078.db2.gz WEBYCLYPVQLXTO-FSPLSTOPSA-N 0 0 213.327 2.175 10 0 BEAERN Cc1cc(NCc2cn[nH]c2)nc(C(C)C)n1 ZINC000038006522 178175096 /nfs/dbraw/zinc/17/50/96/178175096.db2.gz LDVFKSFCLRXYJI-UHFFFAOYSA-N 0 0 231.303 2.244 10 0 BEAERN Cc1cc(NN)c2cc(OC(F)F)ccc2n1 ZINC000051170173 178176439 /nfs/dbraw/zinc/17/64/39/178176439.db2.gz UWANPCZFHCOKEC-UHFFFAOYSA-N 0 0 239.225 2.430 10 0 BEAERN Cc1cc(N[C@@H](C)[C@@H]2CCCO2)nnc1C ZINC000110101577 178178525 /nfs/dbraw/zinc/17/85/25/178178525.db2.gz GLWPPILQVGZIHR-QWRGUYRKSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@H]2O)nc(C(C)C)n1 ZINC000301673912 178190139 /nfs/dbraw/zinc/19/01/39/178190139.db2.gz RMNGMTOTLDHEGS-WDEREUQCSA-N 0 0 235.331 2.234 10 0 BEAERN Cc1cc(N[C@H]2C[C@H]2C)nc(C2CC2)n1 ZINC000265322617 178191728 /nfs/dbraw/zinc/19/17/28/178191728.db2.gz FGAZIWYHKHIWIX-XCBNKYQSSA-N 0 0 203.289 2.483 10 0 BEAERN Cc1nn([C@H]2CCCC[C@H]2O)cc1Cl ZINC000070704043 361742365 /nfs/dbraw/zinc/74/23/65/361742365.db2.gz HBOLOLXNJNVLJE-VHSXEESVSA-N 0 0 214.696 2.321 10 0 BEAERN Cc1csc([C@@H](C)N2CCC(=O)CC2)n1 ZINC000070733816 361745417 /nfs/dbraw/zinc/74/54/17/361745417.db2.gz WMQBOIPAQUMNJX-SECBINFHSA-N 0 0 224.329 2.177 10 0 BEAERN Cc1ncc(Br)c(NC(C)C)n1 ZINC000143478403 361755572 /nfs/dbraw/zinc/75/55/72/361755572.db2.gz WWDYTIHVTSLJPI-UHFFFAOYSA-N 0 0 230.109 2.368 10 0 BEAERN Cc1cc(OCCO)c2cc(F)ccc2n1 ZINC000053994810 178211504 /nfs/dbraw/zinc/21/15/04/178211504.db2.gz DZMORTCLCMGLLY-UHFFFAOYSA-N 0 0 221.231 2.053 10 0 BEAERN Cc1cc(Oc2ncnc3[nH]cnc32)ccc1N ZINC000036984672 178215977 /nfs/dbraw/zinc/21/59/77/178215977.db2.gz KBVPBFDNAZKZOT-UHFFFAOYSA-N 0 0 241.254 2.036 10 0 BEAERN Nc1nsc(-c2cc(F)cc(F)c2)n1 ZINC000070839798 361781728 /nfs/dbraw/zinc/78/17/28/361781728.db2.gz QZHYLXQWPGQHLE-UHFFFAOYSA-N 0 0 213.212 2.066 10 0 BEAERN Cc1cc(Sc2ccccc2N)n(C)n1 ZINC000052308375 178219118 /nfs/dbraw/zinc/21/91/18/178219118.db2.gz ZLWMVTWRUBAKNI-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN Cc1cc(Sc2nccc(=O)[nH]2)ccc1C=O ZINC000104289154 178219790 /nfs/dbraw/zinc/21/97/90/178219790.db2.gz DMHKCHFMTQBXLY-UHFFFAOYSA-N 0 0 246.291 2.454 10 0 BEAERN C[NH+](C)C1(CC(=O)[O-])CCC(C)(C)CC1 ZINC000070821897 361772680 /nfs/dbraw/zinc/77/26/80/361772680.db2.gz RRXGQZWJFGDNCM-UHFFFAOYSA-N 0 0 213.321 2.362 10 0 BEAERN Cc1c(Cl)nnc(Sc2nc[nH]n2)c1C ZINC000070821091 361772933 /nfs/dbraw/zinc/77/29/33/361772933.db2.gz BUZLOZRVLGBAGR-UHFFFAOYSA-N 0 0 241.707 2.016 10 0 BEAERN C[C@@H]1CCC[C@H]1NC1N=NC(=S)S1 ZINC000070833345 361778161 /nfs/dbraw/zinc/77/81/61/361778161.db2.gz HNGZTDDRSZZEQI-PHDIDXHHSA-N 0 0 215.347 2.427 10 0 BEAERN Cc1cc([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]2)ccc1F ZINC000083041374 178241003 /nfs/dbraw/zinc/24/10/03/178241003.db2.gz JLZSWSGNKFRYFD-QWRGUYRKSA-N 0 0 223.247 2.012 10 0 BEAERN Cc1cc([C@H]([NH3+])C(=O)[O-])cc(C)c1Cl ZINC000072196207 178260527 /nfs/dbraw/zinc/26/05/27/178260527.db2.gz RGLHTFZPYWHOPC-VIFPVBQESA-N 0 0 213.664 2.041 10 0 BEAERN CC(C)CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000151062277 398237903 /nfs/dbraw/zinc/23/79/03/398237903.db2.gz RBWGVLAPEAYBEN-NWDGAFQWSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1cc2c(cc1Br)OCC(=O)N2 ZINC000062533473 178284834 /nfs/dbraw/zinc/28/48/34/178284834.db2.gz GGCURXRBVZOXTB-UHFFFAOYSA-N 0 0 242.072 2.088 10 0 BEAERN Cc1ccc(C[C@H]2COCCC2=O)cc1 ZINC000076639129 398244249 /nfs/dbraw/zinc/24/42/49/398244249.db2.gz JCZVKRSVJBMXKR-LBPRGKRZSA-N 0 0 204.269 2.143 10 0 BEAERN Cc1cc(C)cc([C@](C)(O)c2ncc[nH]2)c1 ZINC000114416256 343995091 /nfs/dbraw/zinc/99/50/91/343995091.db2.gz GFNJDTOGYHKLPL-ZDUSSCGKSA-N 0 0 216.284 2.282 10 0 BEAERN Cc1cc2n[nH]cc2c(=O)n1CCC(C)C ZINC000072416715 178300856 /nfs/dbraw/zinc/30/08/56/178300856.db2.gz WYTGWYNTDLWSQD-UHFFFAOYSA-N 0 0 219.288 2.079 10 0 BEAERN Cc1cc2nc(Cl)c(=NN)[nH]c2cc1C ZINC000073737785 178301304 /nfs/dbraw/zinc/30/13/04/178301304.db2.gz ZKKSOVVPXXDMCZ-UHFFFAOYSA-N 0 0 222.679 2.186 10 0 BEAERN Clc1cccc2c1[C@@H](N[C@H]1CCOC1)CO2 ZINC000367282785 398248950 /nfs/dbraw/zinc/24/89/50/398248950.db2.gz OHZJPAUQBCEHNX-WPRPVWTQSA-N 0 0 239.702 2.152 10 0 BEAERN Cc1cc2cc3[nH]c(=O)nc-3[nH]c2cc1C ZINC000013824587 178295900 /nfs/dbraw/zinc/29/59/00/178295900.db2.gz VBQVHGPNYUAGFI-UHFFFAOYSA-N 0 0 213.240 2.021 10 0 BEAERN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)[nH]1 ZINC000029388761 178325781 /nfs/dbraw/zinc/32/57/81/178325781.db2.gz IWZVXVSSPAXLLH-UHFFFAOYSA-N 0 0 235.308 2.394 10 0 BEAERN Cc1cc2oc(=O)c3c(c2cc1O)CCC3 ZINC000039097791 178306517 /nfs/dbraw/zinc/30/65/17/178306517.db2.gz JOQQFUFEKPUVRR-UHFFFAOYSA-N 0 0 216.236 2.296 10 0 BEAERN CCC(CC)N(C)C(=O)c1cc(NC)ccn1 ZINC000050754653 168367047 /nfs/dbraw/zinc/36/70/47/168367047.db2.gz MKXRTDZUZDJDMO-UHFFFAOYSA-N 0 0 235.331 2.384 10 0 BEAERN Cc1ccc(-c2cc(=O)cc[nH]2)cc1F ZINC000065355690 178318175 /nfs/dbraw/zinc/31/81/75/178318175.db2.gz VFHYHXOXQPRNSL-UHFFFAOYSA-N 0 0 203.216 2.489 10 0 BEAERN Cc1ccc(-c2cc(O)cc(=O)o2)cc1 ZINC000015782593 178321786 /nfs/dbraw/zinc/32/17/86/178321786.db2.gz YNHUJSJDJHYPLE-UHFFFAOYSA-N 0 0 202.209 2.321 10 0 BEAERN Cc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000035288449 178333521 /nfs/dbraw/zinc/33/35/21/178333521.db2.gz PXGSXBBVMNSMSE-UHFFFAOYSA-N 0 0 214.268 2.362 10 0 BEAERN Cc1oc(-c2ccc(C)cc2)nc1CCO ZINC000011585331 178333836 /nfs/dbraw/zinc/33/38/36/178333836.db2.gz WTABRJGSWMZKOR-UHFFFAOYSA-N 0 0 217.268 2.493 10 0 BEAERN CCC(CC)N(C)C(=O)c1cncc(O)c1 ZINC000082650907 168368134 /nfs/dbraw/zinc/36/81/34/168368134.db2.gz OGGVUQODGOUKDK-UHFFFAOYSA-N 0 0 222.288 2.048 10 0 BEAERN Cc1ccc(-c2ncn(C)c2N)cc1C ZINC000104846828 178339639 /nfs/dbraw/zinc/33/96/39/178339639.db2.gz HMZZARQNWCILSH-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1noc(-c2ccc(C)cc2)c1CO ZINC000039119911 178345197 /nfs/dbraw/zinc/34/51/97/178345197.db2.gz YSSPNLYURXDVNU-UHFFFAOYSA-N 0 0 203.241 2.451 10 0 BEAERN Cc1ccc(-n2cc(Cl)cn2)c(N)c1 ZINC000038053167 178346131 /nfs/dbraw/zinc/34/61/31/178346131.db2.gz UJWQJUTVOXCEAA-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1ccc(-c2[nH]nc3ncncc32)cc1 ZINC000039109029 178331012 /nfs/dbraw/zinc/33/10/12/178331012.db2.gz ZUVXYDOXVIPKNN-UHFFFAOYSA-N 0 0 210.240 2.328 10 0 BEAERN Cc1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000036477403 178361389 /nfs/dbraw/zinc/36/13/89/178361389.db2.gz JDZYVVUJIQYGRX-UHFFFAOYSA-N 0 0 203.216 2.285 10 0 in-vivo BEAERN COC(=O)c1cc2c(cn1)[nH]c1ccc(O)cc12 ZINC000026025585 398263853 /nfs/dbraw/zinc/26/38/53/398263853.db2.gz UULFOYXSWNADTF-UHFFFAOYSA-N 0 0 242.234 2.208 10 0 BEAERN Cc1ccc(C(=O)Cn2ccccc2=O)cc1 ZINC000005380508 178374726 /nfs/dbraw/zinc/37/47/26/178374726.db2.gz HMNJCHBXRHTQOG-UHFFFAOYSA-N 0 0 227.263 2.040 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@H]2C[C@@H]2C)cc1N ZINC000104425097 178377720 /nfs/dbraw/zinc/37/77/20/178377720.db2.gz DXECKMPNFXRUNB-CMPLNLGQSA-N 0 0 232.327 2.305 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H]2C)cc1N ZINC000104425102 178378416 /nfs/dbraw/zinc/37/84/16/178378416.db2.gz DXECKMPNFXRUNB-PWSUYJOCSA-N 0 0 232.327 2.305 10 0 BEAERN CCC[C@H](C)Cn1nc(N)nc1Br ZINC000231802495 538952903 /nfs/dbraw/zinc/95/29/03/538952903.db2.gz XTIRBBJZTZBDJL-LURJTMIESA-N 0 0 247.140 2.059 10 0 BEAERN Cc1ccc(C(=O)N2CCCO2)cc1Cl ZINC000125455850 178387084 /nfs/dbraw/zinc/38/70/84/178387084.db2.gz JQDYHUILWBBMBJ-UHFFFAOYSA-N 0 0 225.675 2.426 10 0 BEAERN CCC(CC)N(CCO)c1ccccc1CO ZINC000042511236 168373627 /nfs/dbraw/zinc/37/36/27/168373627.db2.gz GZXMQHPTYUGMQP-UHFFFAOYSA-N 0 0 237.343 2.166 10 0 BEAERN Cc1ccc(C(=O)C(=O)N[C@@H](C)C(C)C)cc1 ZINC000041791384 178372025 /nfs/dbraw/zinc/37/20/25/178372025.db2.gz HIOBKGLAFKGGSI-NSHDSACASA-N 0 0 233.311 2.338 10 0 BEAERN CCC(CC)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000179245158 538954987 /nfs/dbraw/zinc/95/49/87/538954987.db2.gz CTSBRWLVPDFCNL-OLZOCXBDSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(CC)N(CCOC)c1ccc(N)nc1 ZINC000042614401 168376426 /nfs/dbraw/zinc/37/64/26/168376426.db2.gz DYKWDFVMECWCKK-UHFFFAOYSA-N 0 0 237.347 2.305 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616612903 349602397 /nfs/dbraw/zinc/60/23/97/349602397.db2.gz ZGSMHMUHONWHHQ-CYBMUJFWSA-N 0 0 241.294 2.103 10 0 BEAERN CC[C@@H](C)C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405515233 538960058 /nfs/dbraw/zinc/96/00/58/538960058.db2.gz MMDDRHMYWBVAGP-SECBINFHSA-N 0 0 241.331 2.469 10 0 BEAERN CC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000405489843 538960230 /nfs/dbraw/zinc/96/02/30/538960230.db2.gz BYKJSWDDRDRVHI-GFCCVEGCSA-N 0 0 227.304 2.223 10 0 BEAERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000405552115 538960292 /nfs/dbraw/zinc/96/02/92/538960292.db2.gz CHFNHYNGEOFMJN-VIFPVBQESA-N 0 0 241.331 2.469 10 0 BEAERN CC(C)(C)OC(=O)NCCC(=O)c1ccc[nH]1 ZINC000405719997 538961030 /nfs/dbraw/zinc/96/10/30/538961030.db2.gz OXJGXOZDIWYNCO-UHFFFAOYSA-N 0 0 238.287 2.112 10 0 BEAERN N#C[C@@H](N)c1c[nH]c2c1cccc2Cl ZINC000259842312 349609315 /nfs/dbraw/zinc/60/93/15/349609315.db2.gz YNRLETIIKITLLX-SECBINFHSA-N 0 0 205.648 2.345 10 0 BEAERN CCC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406069086 538962818 /nfs/dbraw/zinc/96/28/18/538962818.db2.gz PAIMOPYSJVUJEB-SNVBAGLBSA-N 0 0 227.304 2.269 10 0 BEAERN C=Cc1cc(OCOC)cc(OCOC)c1 ZINC000137915535 342691617 /nfs/dbraw/zinc/69/16/17/342691617.db2.gz ZWQOOZLNMUWKPA-UHFFFAOYSA-N 0 0 224.256 2.295 10 0 BEAERN CCOC(=O)COc1cc(C(F)(F)F)ccn1 ZINC000144030339 342694575 /nfs/dbraw/zinc/69/45/75/342694575.db2.gz UVBGXHOFLIPUCZ-UHFFFAOYSA-N 0 0 249.188 2.042 10 0 BEAERN COCCn1ccc2c1cccc2C=O ZINC000070735317 342698898 /nfs/dbraw/zinc/69/88/98/342698898.db2.gz QUTPBXQHRWRLMH-UHFFFAOYSA-N 0 0 203.241 2.100 10 0 BEAERN Cc1cc2c(ccnc2NCC[C@H](C)O)o1 ZINC000166664824 361854847 /nfs/dbraw/zinc/85/48/47/361854847.db2.gz FYGWRGLJTAXGSK-QMMMGPOBSA-N 0 0 220.272 2.319 10 0 BEAERN CCOC(=O)C[C@H]1CCc2cc(O)ccc2C1 ZINC000144139802 342702466 /nfs/dbraw/zinc/70/24/66/342702466.db2.gz HKOJAUZVTOHJFI-JTQLQIEISA-N 0 0 234.295 2.450 10 0 BEAERN COc1cc(N)c(C(F)(F)F)cc1OC ZINC000001873146 342713246 /nfs/dbraw/zinc/71/32/46/342713246.db2.gz RVFJSOZGQWYDAF-UHFFFAOYSA-N 0 0 221.178 2.305 10 0 BEAERN COCCC[C@H](C)C(=O)N[C@@H](C)C(C)C ZINC000182191497 538962451 /nfs/dbraw/zinc/96/24/51/538962451.db2.gz JXCPZADJLZYYTR-QWRGUYRKSA-N 0 0 215.337 2.210 10 0 BEAERN Cc1cc(CNCc2ccno2)cc(C)c1O ZINC000231881346 342742726 /nfs/dbraw/zinc/74/27/26/342742726.db2.gz VSTDIZQZHRJVNT-UHFFFAOYSA-N 0 0 232.283 2.287 10 0 BEAERN CC[C@@]1(C)N(O)[C@@H](C)C(c2ccccc2)=[N+]1[O-] ZINC000253394061 398279136 /nfs/dbraw/zinc/27/91/36/398279136.db2.gz YARVHMNOGFPZCR-GWCFXTLKSA-N 0 0 235.307 2.097 10 0 BEAERN O=C1C[C@H]2[C@H]3C=C(Br)[C@H]4[C@H]3C[C@H]2[C@H]14 ZINC000004336488 342746786 /nfs/dbraw/zinc/74/67/86/342746786.db2.gz WAWOSPOONYNJAN-DLSTZLATSA-N 0 0 239.112 2.366 10 0 BEAERN CCC(CC)NC(=O)c1c(C)cccc1N ZINC000022171880 168383971 /nfs/dbraw/zinc/38/39/71/168383971.db2.gz LRIWMXVVZHDWDK-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN Cc1ccc(C(=O)N2CC2)cc1Br ZINC000306658654 361868267 /nfs/dbraw/zinc/86/82/67/361868267.db2.gz JATIEXYJHOGVQP-UHFFFAOYSA-N 0 0 240.100 2.213 10 0 BEAERN Clc1ccc(NCc2cn[nH]c2)nc1 ZINC000038006541 538964898 /nfs/dbraw/zinc/96/48/98/538964898.db2.gz PTIYHPWWKYAQPR-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN C[C@@H]1CC(=O)c2cccc(Cl)c2S1(=O)=O ZINC000035741365 342758131 /nfs/dbraw/zinc/75/81/31/342758131.db2.gz BGFNDAYROIAHSV-ZCFIWIBFSA-N 0 0 244.699 2.089 10 0 BEAERN O=C(c1cc2ccncc2[nH]1)c1ccncc1 ZINC000145092098 342759600 /nfs/dbraw/zinc/75/96/00/342759600.db2.gz IWWRJJYGMXGYKZ-UHFFFAOYSA-N 0 0 223.235 2.189 10 0 BEAERN COc1ccc(CO)c(SC(C)C)n1 ZINC000145304656 342760824 /nfs/dbraw/zinc/76/08/24/342760824.db2.gz WRXUQXGLFOJSAR-UHFFFAOYSA-N 0 0 213.302 2.083 10 0 BEAERN CC(C)C(=O)O[C@H]([C@H](C)CO)C(C)(C)C ZINC000005359098 342762519 /nfs/dbraw/zinc/76/25/19/342762519.db2.gz YXISVHDWGVMPGJ-NXEZZACHSA-N 0 0 216.321 2.229 10 0 BEAERN C[C@@H]1Nc2cc(F)c(Cl)cc2NC1=O ZINC000035882252 342762543 /nfs/dbraw/zinc/76/25/43/342762543.db2.gz WADZYYLDJMYNEA-BYPYZUCNSA-N 0 0 214.627 2.232 10 0 BEAERN COc1ccc(C[C@@H](C)O)cc1Br ZINC000035898577 342763297 /nfs/dbraw/zinc/76/32/97/342763297.db2.gz MLUIEVHNSQKXOG-SSDOTTSWSA-N 0 0 245.116 2.381 10 0 BEAERN CCOC(=O)c1ccc2c(c1)NC(=O)CC(C)=N2 ZINC000146174836 342767112 /nfs/dbraw/zinc/76/71/12/342767112.db2.gz OTNMNTQANLQINZ-UHFFFAOYSA-N 0 0 246.266 2.298 10 0 BEAERN Cn1c2ccc(Br)cc2sc1=O ZINC000005670040 342768247 /nfs/dbraw/zinc/76/82/47/342768247.db2.gz GOWQOGQMHZNPFN-UHFFFAOYSA-N 0 0 244.113 2.363 10 0 BEAERN CCC(CC)NC(=O)c1nc(N)ccc1Cl ZINC000050697470 168387316 /nfs/dbraw/zinc/38/73/16/168387316.db2.gz WJQOFDBJDCZZCK-UHFFFAOYSA-N 0 0 241.722 2.236 10 0 BEAERN CC(C)(C)OC(=O)c1cnc(Cl)cn1 ZINC000005950500 342771747 /nfs/dbraw/zinc/77/17/47/342771747.db2.gz HVVYCXYNSSYJOR-UHFFFAOYSA-N 0 0 214.652 2.085 10 0 BEAERN CCc1nc(-c2ccccc2)ncc1C(=O)OC ZINC000008700194 342802479 /nfs/dbraw/zinc/80/24/79/342802479.db2.gz LQUZTVSWZWQZCH-UHFFFAOYSA-N 0 0 242.278 2.493 10 0 BEAERN Cc1ccc(C(=O)Nc2ccncc2)c(C)n1 ZINC000048403168 178438115 /nfs/dbraw/zinc/43/81/15/178438115.db2.gz OQUXAGRBOBXZBD-UHFFFAOYSA-N 0 0 227.267 2.346 10 0 BEAERN O=CNc1c(F)cccc1Br ZINC000232141024 342789414 /nfs/dbraw/zinc/78/94/14/342789414.db2.gz JHZWHGVDEYMZNR-UHFFFAOYSA-N 0 0 218.025 2.157 10 0 BEAERN CCOC(=O)[C@H]1CC=C(c2ncccc2N)CC1 ZINC000148801693 342792661 /nfs/dbraw/zinc/79/26/61/342792661.db2.gz DMJDNQHMSNOISM-NSHDSACASA-N 0 0 246.310 2.410 10 0 BEAERN Nc1c(Cl)cnnc1NC1CCCC1 ZINC000149994604 342795196 /nfs/dbraw/zinc/79/51/96/342795196.db2.gz ACGORSRHLBZQCG-UHFFFAOYSA-N 0 0 212.684 2.067 10 0 BEAERN CCc1c(N)ncnc1OCc1ccccc1 ZINC000157529034 342796007 /nfs/dbraw/zinc/79/60/07/342796007.db2.gz YCSLWTMXPFWRRC-UHFFFAOYSA-N 0 0 229.283 2.200 10 0 BEAERN CC(C)CCN(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000188299333 538978051 /nfs/dbraw/zinc/97/80/51/538978051.db2.gz WKDUURXZDOUWNX-VXGBXAGGSA-N 0 0 227.348 2.306 10 0 BEAERN CCc1n[nH]c(CC2CCSCC2)n1 ZINC000157658665 342811089 /nfs/dbraw/zinc/81/10/89/342811089.db2.gz APHPCJLUTGYQPM-UHFFFAOYSA-N 0 0 211.334 2.053 10 0 BEAERN Oc1cccc(Sc2ccncn2)c1 ZINC000127042222 342814758 /nfs/dbraw/zinc/81/47/58/342814758.db2.gz MLIYBBRTFZPEPW-UHFFFAOYSA-N 0 0 204.254 2.333 10 0 BEAERN CCC(CC)Nc1cc2c(cc1N)CC(=O)N2 ZINC000035345193 168393606 /nfs/dbraw/zinc/39/36/06/168393606.db2.gz MTRKXGNCTWQOGT-UHFFFAOYSA-N 0 0 233.315 2.364 10 0 BEAERN CCC(CC)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020094903 168393769 /nfs/dbraw/zinc/39/37/69/168393769.db2.gz MFSROPFTLLYLIO-UHFFFAOYSA-N 0 0 219.288 2.457 10 0 BEAERN CCC(CC)Nc1cccc(OCC(N)=O)c1 ZINC000037062302 168394016 /nfs/dbraw/zinc/39/40/16/168394016.db2.gz CKDZRGORAQWEBE-UHFFFAOYSA-N 0 0 236.315 2.151 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2coc(C)n2)o1 ZINC000186828382 538975085 /nfs/dbraw/zinc/97/50/85/538975085.db2.gz TWRDTJAAEIXNKW-QMMMGPOBSA-N 0 0 234.255 2.375 10 0 BEAERN O=C(CC1CCSCC1)[C@H]1CCOC1 ZINC000157610897 342807056 /nfs/dbraw/zinc/80/70/56/342807056.db2.gz ZZCIYPJAZRORRG-JTQLQIEISA-N 0 0 214.330 2.125 10 0 BEAERN CC1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000190410846 538989403 /nfs/dbraw/zinc/98/94/03/538989403.db2.gz KFGGFMNGGWGONH-VXGBXAGGSA-N 0 0 225.332 2.060 10 0 BEAERN Fc1ccc(-n2cnnc2Cl)c(F)c1F ZINC000071052775 361936693 /nfs/dbraw/zinc/93/66/93/361936693.db2.gz UJUXSGQNEAZBED-UHFFFAOYSA-N 0 0 233.580 2.338 10 0 BEAERN CCC[C@]1(C(=O)OCC)O[C@@]12CC[C@H]2C ZINC000379899422 538981346 /nfs/dbraw/zinc/98/13/46/538981346.db2.gz DUAVVJAQCPJCTL-YUSALJHKSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1nnc(Cl)n1[C@H](C)c1ccncc1 ZINC000071054201 361938275 /nfs/dbraw/zinc/93/82/75/361938275.db2.gz JUFSLUNZGSCOAJ-SSDOTTSWSA-N 0 0 222.679 2.244 10 0 BEAERN CCc1nnc(Cl)n1[C@@H]1CCC[C@H]1OC ZINC000071055042 361938630 /nfs/dbraw/zinc/93/86/30/361938630.db2.gz OATQPDAVNKLACM-HTQZYQBOSA-N 0 0 229.711 2.234 10 0 BEAERN CCCc1nnc(Cl)n1C1CCOCC1 ZINC000071053817 361938811 /nfs/dbraw/zinc/93/88/11/361938811.db2.gz BNQQNPQJBIRJSD-UHFFFAOYSA-N 0 0 229.711 2.236 10 0 BEAERN CC(C)c1nnc(Cl)n1C[C@@H]1CCOC1 ZINC000071055312 361938964 /nfs/dbraw/zinc/93/89/64/361938964.db2.gz HYGFKBRDWXTPOT-QMMMGPOBSA-N 0 0 229.711 2.091 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178719988 534925001 /nfs/dbraw/zinc/92/50/01/534925001.db2.gz AGHKWZPGWVJXLU-GDLCADMTSA-N 0 0 247.338 2.053 10 0 BEAERN Cc1cccc(NC(=O)[C@H]2CCCO[C@@H]2C)c1O ZINC000189805418 538985306 /nfs/dbraw/zinc/98/53/06/538985306.db2.gz VPBOWLQYASTPLF-MNOVXSKESA-N 0 0 249.310 2.454 10 0 BEAERN CN(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000193181975 539002585 /nfs/dbraw/zinc/00/25/85/539002585.db2.gz IFUIPYVYSIZEAJ-JGVFFNPUSA-N 0 0 238.253 2.379 10 0 BEAERN CCOC(=O)C(C)(C)[C@H](O)c1cccc(F)c1 ZINC000052256883 539011978 /nfs/dbraw/zinc/01/19/78/539011978.db2.gz HWZBUDGIECRQLW-LLVKDONJSA-N 0 0 240.274 2.448 10 0 BEAERN CC[C@H](Nc1cnn(CCO)c1)C(C)(C)C ZINC000381402541 538999672 /nfs/dbraw/zinc/99/96/72/538999672.db2.gz ASLKBYLBRFUKHY-NSHDSACASA-N 0 0 225.336 2.112 10 0 BEAERN Nc1ccsc1C(=O)OC1CCCC1 ZINC000042373351 361987717 /nfs/dbraw/zinc/98/77/17/361987717.db2.gz LAXLENPJBYTGAI-UHFFFAOYSA-N 0 0 211.286 2.430 10 0 BEAERN COc1nn(C)cc1N[C@@H]1CC[C@@H]1C(C)C ZINC000390665584 539026940 /nfs/dbraw/zinc/02/69/40/539026940.db2.gz UFGKRCSSWFJBPJ-NXEZZACHSA-N 0 0 223.320 2.275 10 0 BEAERN COc1nn(C)cc1N[C@H]1CC[C@H]1C(C)C ZINC000390665587 539027072 /nfs/dbraw/zinc/02/70/72/539027072.db2.gz UFGKRCSSWFJBPJ-UWVGGRQHSA-N 0 0 223.320 2.275 10 0 BEAERN Cc1cc(N)c2c(n1)onc2C(C)(C)C ZINC000211947286 539027525 /nfs/dbraw/zinc/02/75/25/539027525.db2.gz HILCKPHQIDSMNO-UHFFFAOYSA-N 0 0 205.261 2.411 10 0 BEAERN C[C@@H](Cn1cccc(N)c1=O)C(C)(C)C ZINC000710771920 539028288 /nfs/dbraw/zinc/02/82/88/539028288.db2.gz WZOSCUBQMXKHQJ-VIFPVBQESA-N 0 0 208.305 2.113 10 0 BEAERN CC[C@]1(C2CCCC2)O[C@@]1(C)C(=O)OC ZINC000387649476 539013948 /nfs/dbraw/zinc/01/39/48/539013948.db2.gz KDECQPNCPGXALY-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@]1(C2CCCC2)O[C@@]1(C)C(=O)OC ZINC000387649478 539014188 /nfs/dbraw/zinc/01/41/88/539014188.db2.gz KDECQPNCPGXALY-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN CC(=O)OCC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000382672570 361973384 /nfs/dbraw/zinc/97/33/84/361973384.db2.gz BATNSUNESSGLLA-UHFFFAOYSA-N 0 0 248.612 2.364 10 0 BEAERN Cc1nc(N[C@H]2CCC[C@H](O)C2)sc1C ZINC000389891116 539018385 /nfs/dbraw/zinc/01/83/85/539018385.db2.gz VZQQQMFXZHRKOT-UWVGGRQHSA-N 0 0 226.345 2.475 10 0 BEAERN Clc1snnc1CN1CCCSCC1 ZINC000042443860 362000302 /nfs/dbraw/zinc/00/03/02/362000302.db2.gz CCLSWQZUDNVDRX-UHFFFAOYSA-N 0 0 249.792 2.130 10 0 BEAERN CCCSc1ncnc(N)c1Cl ZINC000233264353 342852764 /nfs/dbraw/zinc/85/27/64/342852764.db2.gz GWOWGBUOCXCROU-UHFFFAOYSA-N 0 0 203.698 2.214 10 0 BEAERN CCC[C@@H](C)Nc1nc(Cl)ncc1N ZINC000233281000 342854166 /nfs/dbraw/zinc/85/41/66/342854166.db2.gz PNWDVPYURFZONU-ZCFIWIBFSA-N 0 0 214.700 2.313 10 0 BEAERN O=c1nc(-c2sccc2Cl)cc[nH]1 ZINC000229973362 342861888 /nfs/dbraw/zinc/86/18/88/342861888.db2.gz GQOAIXSXTBIZGY-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN c1coc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000091979199 398303991 /nfs/dbraw/zinc/30/39/91/398303991.db2.gz UMPDKQKKXVHSJS-STQMWFEESA-N 0 0 221.300 2.423 10 0 BEAERN CC[C@H](NO)c1cccc(OC)c1OC ZINC000308759982 342867615 /nfs/dbraw/zinc/86/76/15/342867615.db2.gz IBCKLSBNIUUOLJ-VIFPVBQESA-N 0 0 211.261 2.134 10 0 BEAERN O=C1CSC[C@H]1C[C@@H](O)c1ccccc1 ZINC000134567972 342868522 /nfs/dbraw/zinc/86/85/22/342868522.db2.gz JUDNHSQCTJZQFD-GHMZBOCLSA-N 0 0 222.309 2.042 10 0 BEAERN CO[C@@H]1CCC[C@H]([C@@H]2CSCC2=O)C1 ZINC000134566468 342868550 /nfs/dbraw/zinc/86/85/50/342868550.db2.gz CKWFLOMHFQPWTN-AEJSXWLSSA-N 0 0 214.330 2.124 10 0 BEAERN O=C(CC1CCCCC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000077102467 398306164 /nfs/dbraw/zinc/30/61/64/398306164.db2.gz NXTQHTHYWGAKMV-CHWSQXEVSA-N 0 0 239.359 2.377 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCC[C@H](O)C2)c1 ZINC000077102498 398306178 /nfs/dbraw/zinc/30/61/78/398306178.db2.gz BDTVICVAUZAAJG-STQMWFEESA-N 0 0 233.311 2.028 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1 ZINC000077102497 398306401 /nfs/dbraw/zinc/30/64/01/398306401.db2.gz BDTVICVAUZAAJG-OLZOCXBDSA-N 0 0 233.311 2.028 10 0 BEAERN CCc1cccnc1-c1noc(Cl)n1 ZINC000134623818 342873839 /nfs/dbraw/zinc/87/38/39/342873839.db2.gz KHRMFACQJSQYEN-UHFFFAOYSA-N 0 0 209.636 2.347 10 0 BEAERN O=C(Nc1ncccc1Cl)N1CCCC1 ZINC000219529413 342875179 /nfs/dbraw/zinc/87/51/79/342875179.db2.gz NLZLUZLNUMRQHG-UHFFFAOYSA-N 0 0 225.679 2.363 10 0 BEAERN Cc1ncsc1CC[C@@H]1CSC[C@@H]1O ZINC000134656805 342875307 /nfs/dbraw/zinc/87/53/07/342875307.db2.gz WENZCRVEDTUVPD-BDAKNGLRSA-N 0 0 229.370 2.108 10 0 BEAERN C[C@@H]1OCC[C@@H]1N(C)Cc1cnc(Cl)s1 ZINC000134674691 342876096 /nfs/dbraw/zinc/87/60/96/342876096.db2.gz VBTUOVCLVJKDCQ-CBAPKCEASA-N 0 0 246.763 2.406 10 0 BEAERN N[C@@H](c1ncc[nH]1)c1sccc1Cl ZINC000229939540 342857167 /nfs/dbraw/zinc/85/71/67/342857167.db2.gz NDRYCHPWFFOARP-ZCFIWIBFSA-N 0 0 213.693 2.173 10 0 BEAERN N[C@H](c1ncc[nH]1)c1sccc1Cl ZINC000229939543 342857204 /nfs/dbraw/zinc/85/72/04/342857204.db2.gz NDRYCHPWFFOARP-LURJTMIESA-N 0 0 213.693 2.173 10 0 BEAERN OCc1cccc(Oc2nccs2)c1 ZINC000059715032 342857435 /nfs/dbraw/zinc/85/74/35/342857435.db2.gz IRXUXAUULATPGM-UHFFFAOYSA-N 0 0 207.254 2.428 10 0 BEAERN CCCc1nc[nH]c(=S)c1Br ZINC000233373821 342858745 /nfs/dbraw/zinc/85/87/45/342858745.db2.gz RGNUMOMXFBPYLF-UHFFFAOYSA-N 0 0 233.134 2.480 10 0 BEAERN N[C@@H](c1cnsn1)c1sccc1Cl ZINC000229962002 342859268 /nfs/dbraw/zinc/85/92/68/342859268.db2.gz YFRAMUQXWLKCOL-LURJTMIESA-N 0 0 231.733 2.301 10 0 BEAERN N[C@H](c1csnn1)c1sccc1Cl ZINC000229961501 342859272 /nfs/dbraw/zinc/85/92/72/342859272.db2.gz FVRBZTYCDIKGBW-ZCFIWIBFSA-N 0 0 231.733 2.301 10 0 BEAERN CCCc1nc2c(c(=S)[nH]1)CSC2 ZINC000233395561 342859606 /nfs/dbraw/zinc/85/96/06/342859606.db2.gz MUSPPYSYRXIICG-UHFFFAOYSA-N 0 0 212.343 2.465 10 0 BEAERN CCc1cc(NC(=O)Cc2cccc(C)c2)n[nH]1 ZINC000134510859 342860021 /nfs/dbraw/zinc/86/00/21/342860021.db2.gz QBHKQKSPDIMMAV-UHFFFAOYSA-N 0 0 243.310 2.462 10 0 BEAERN CCn1nccc1[C@H]1NCC[C@H](C)S1 ZINC000164943897 342860597 /nfs/dbraw/zinc/86/05/97/342860597.db2.gz QPQHPDOYTUMLPT-WPRPVWTQSA-N 0 0 211.334 2.017 10 0 BEAERN CCc1nc([C@@](C)(N)C(F)(F)F)cs1 ZINC000165286454 342896555 /nfs/dbraw/zinc/89/65/55/342896555.db2.gz ICXDWKQKDXKWBP-SSDOTTSWSA-N 0 0 224.251 2.442 10 0 BEAERN CSCCC(=O)N1CCOC[C@@H]1CC(C)C ZINC000113848166 136245415 /nfs/dbraw/zinc/24/54/15/136245415.db2.gz CZTFIZONTZGCAZ-NSHDSACASA-N 0 0 245.388 2.013 10 0 BEAERN C[C@@H]1CCC[C@]2(CC1)[NH2+][C@@H](C(=O)[O-])CS2 ZINC000226595390 342899353 /nfs/dbraw/zinc/89/93/53/342899353.db2.gz SPGGPXRSXYTUJX-KKZNHRDASA-N 0 0 229.345 2.073 10 0 BEAERN CSCCC(=O)N1CCOC[C@H]1CC(C)C ZINC000113848163 136245556 /nfs/dbraw/zinc/24/55/56/136245556.db2.gz CZTFIZONTZGCAZ-LLVKDONJSA-N 0 0 245.388 2.013 10 0 BEAERN Cc1ccc(C(N)=S)c(NC2CC2)c1 ZINC000051596313 178458235 /nfs/dbraw/zinc/45/82/35/178458235.db2.gz YLZXVKJCWGHXSF-UHFFFAOYSA-N 0 0 206.314 2.204 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)C1(C)CCCCC1 ZINC000157048212 398319130 /nfs/dbraw/zinc/31/91/30/398319130.db2.gz GFAVJFRAEUMWHC-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN CSCC(=O)N(C)CCCc1ccccc1 ZINC000046896866 342888826 /nfs/dbraw/zinc/88/88/26/342888826.db2.gz KVGSWPNLMAYYCL-UHFFFAOYSA-N 0 0 237.368 2.441 10 0 BEAERN CCN(C)C(=O)c1cc(N)cc(Cl)c1 ZINC000165247252 342889541 /nfs/dbraw/zinc/88/95/41/342889541.db2.gz GFRSYYKHWUCHLP-UHFFFAOYSA-N 0 0 212.680 2.014 10 0 BEAERN COc1cnccc1C(=O)c1ccsc1 ZINC000157750737 342891448 /nfs/dbraw/zinc/89/14/48/342891448.db2.gz QANAZCJFTFNHCP-UHFFFAOYSA-N 0 0 219.265 2.383 10 0 BEAERN CC[C@H]1CN(c2ccc(C=O)o2)CCS1 ZINC000133100614 398321986 /nfs/dbraw/zinc/32/19/86/398321986.db2.gz SRWVDHQWMZFLEK-JTQLQIEISA-N 0 0 225.313 2.424 10 0 BEAERN CC[C@H](C)C(=O)Nc1nc(C)cc(Cl)n1 ZINC000233997506 342923962 /nfs/dbraw/zinc/92/39/62/342923962.db2.gz RCZGJRWKJCYPAD-LURJTMIESA-N 0 0 227.695 2.423 10 0 BEAERN Cc1noc2ccc(-c3ccccc3)[n+]([O-])c12 ZINC000116461586 342926750 /nfs/dbraw/zinc/92/67/50/342926750.db2.gz YHNAXZLBFCEZRM-UHFFFAOYSA-N 0 0 226.235 2.437 10 0 BEAERN CC[C@@](C)(O)[C@H](O)c1ccc(C)s1 ZINC000233964627 342915114 /nfs/dbraw/zinc/91/51/14/342915114.db2.gz KQZIFBDOOUYEMT-NXEZZACHSA-N 0 0 200.303 2.251 10 0 BEAERN CCN(C)c1ccc(CO)cc1Br ZINC000233980863 342920276 /nfs/dbraw/zinc/92/02/76/342920276.db2.gz FIOKZCRPXGLCTC-UHFFFAOYSA-N 0 0 244.132 2.398 10 0 BEAERN CCOP(=O)(CCC1OCCO1)OCC ZINC000116612629 342929839 /nfs/dbraw/zinc/92/98/39/342929839.db2.gz SPQRHBFDLNWWSJ-UHFFFAOYSA-N 0 0 238.220 2.016 10 0 BEAERN CCOC(=O)c1c(C)c(Br)cn1C ZINC000575432264 398327698 /nfs/dbraw/zinc/32/76/98/398327698.db2.gz XEMPKBPACTWQFA-UHFFFAOYSA-N 0 0 246.104 2.273 10 0 BEAERN OCc1cc(F)c(Br)s1 ZINC000575442279 398328527 /nfs/dbraw/zinc/32/85/27/398328527.db2.gz SKZRCBVOHQDHQZ-UHFFFAOYSA-N 0 0 211.055 2.142 10 0 BEAERN COCCSCC(=O)Cc1ccccc1 ZINC000037352487 342929507 /nfs/dbraw/zinc/92/95/07/342929507.db2.gz ABFBKMFZMAGQRV-UHFFFAOYSA-N 0 0 224.325 2.178 10 0 BEAERN O=C1CC[C@@H](CO)[C@H](COCc2ccccc2)C1 ZINC000116696391 342934757 /nfs/dbraw/zinc/93/47/57/342934757.db2.gz UBLLJKVEHSASQC-KBPBESRZSA-N 0 0 248.322 2.181 10 0 BEAERN C[C@H](C(=O)N(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000120159094 398337021 /nfs/dbraw/zinc/33/70/21/398337021.db2.gz CYQWVPWNGAHKNB-JSGCOSHPSA-N 0 0 247.338 2.428 10 0 BEAERN CCC1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000120938822 398337411 /nfs/dbraw/zinc/33/74/11/398337411.db2.gz UNVXMRNQGUHBNK-UHFFFAOYSA-N 0 0 248.326 2.074 10 0 BEAERN NCc1nc2cc(F)cc(Cl)c2o1 ZINC000158974752 346887345 /nfs/dbraw/zinc/88/73/45/346887345.db2.gz HLONITUQBGCFKT-UHFFFAOYSA-N 0 0 200.600 2.079 10 0 BEAERN Cc1nc([C@@H](C)NCc2cc[nH]c(=O)c2)cs1 ZINC000392750729 398335153 /nfs/dbraw/zinc/33/51/53/398335153.db2.gz IYFPZADMKZLUBC-MRVPVSSYSA-N 0 0 249.339 2.403 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cc(F)c(F)cc1F ZINC000129425488 398340080 /nfs/dbraw/zinc/34/00/80/398340080.db2.gz LFKACPLKFPEHDH-GPXNAGAYSA-N 0 0 229.201 2.242 10 0 BEAERN COC(=O)c1ccc(C)nc1OC(F)(F)F ZINC000309279797 342944594 /nfs/dbraw/zinc/94/45/94/342944594.db2.gz GJABPUQCBZKHKL-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Nc1nc(-c2ccc(F)cc2Cl)no1 ZINC000061847629 398344384 /nfs/dbraw/zinc/34/43/84/398344384.db2.gz OZSOHDAUWAHUBW-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN Brc1nnc([C@@H]2CCSC2)o1 ZINC000157829420 344015496 /nfs/dbraw/zinc/01/54/96/344015496.db2.gz NZWKOEAHHFXZJC-SCSAIBSYSA-N 0 0 235.106 2.053 10 0 BEAERN Cc1ccc(C2=CCS(=O)(=O)C2)cc1C ZINC000040173764 342959148 /nfs/dbraw/zinc/95/91/48/342959148.db2.gz WZLLSHZBXUUUJY-UHFFFAOYSA-N 0 0 222.309 2.115 10 0 BEAERN COC(=O)CN[C@H](C)c1ccc(C)c(C)c1 ZINC000019885685 342961506 /nfs/dbraw/zinc/96/15/06/342961506.db2.gz LNCGLGFBGDOJBW-LLVKDONJSA-N 0 0 221.300 2.127 10 0 BEAERN CCOc1cc(CO)ccc1Oc1ncccn1 ZINC000020176062 342974419 /nfs/dbraw/zinc/97/44/19/342974419.db2.gz LOUFSKFPYIRLOD-UHFFFAOYSA-N 0 0 246.266 2.160 10 0 BEAERN Cc1ccc(C)c(Cc2nnc([C@@H](C)N)o2)c1 ZINC000053145870 178478595 /nfs/dbraw/zinc/47/85/95/178478595.db2.gz ATGMORJDNGFLLX-SNVBAGLBSA-N 0 0 231.299 2.297 10 0 BEAERN CCOC(=O)c1[nH]c2ncccc2c1C ZINC000260420160 349717108 /nfs/dbraw/zinc/71/71/08/349717108.db2.gz CNQWRWQMFYWMST-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCCN1C[C@H](C(=O)OCC)Oc2ccccc21 ZINC000036439901 342999953 /nfs/dbraw/zinc/99/99/53/342999953.db2.gz ZDERQLKNZARSIP-CYBMUJFWSA-N 0 0 249.310 2.227 10 0 BEAERN Oc1ccc2c(c1)O[C@H]([C@H]1CCCO1)CC2 ZINC000117567143 343004631 /nfs/dbraw/zinc/00/46/31/343004631.db2.gz FXURNNUJVHBUTP-NEPJUHHUSA-N 0 0 220.268 2.265 10 0 BEAERN Cc1nc([C@@H]2CCCN2c2ncccc2F)no1 ZINC000408098570 344022291 /nfs/dbraw/zinc/02/22/91/344022291.db2.gz GTHJKVGVUBIACU-JTQLQIEISA-N 0 0 248.261 2.254 10 0 BEAERN CC(C)(C)c1nc2ccc(Cl)nn2n1 ZINC000021298634 343009213 /nfs/dbraw/zinc/00/92/13/343009213.db2.gz UPMICOYKKFCFLK-UHFFFAOYSA-N 0 0 210.668 2.075 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCCCC[C@H]1O ZINC000360561804 187217484 /nfs/dbraw/zinc/21/74/84/187217484.db2.gz PKDQSYGCQBKXAD-RWMBFGLXSA-N 0 0 241.375 2.478 10 0 BEAERN CCOC(=O)c1nc2cc(OC)ccc2nc1C ZINC000117801128 343016716 /nfs/dbraw/zinc/01/67/16/343016716.db2.gz CHCMJPBWVVETGD-UHFFFAOYSA-N 0 0 246.266 2.124 10 0 BEAERN C/C=C/c1ccc(OCC(=O)NCC)c(OC)c1 ZINC000021764184 343020789 /nfs/dbraw/zinc/02/07/89/343020789.db2.gz HQXLKCMXCLDJNB-GQCTYLIASA-N 0 0 249.310 2.243 10 0 BEAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2C)cs1 ZINC000408098795 344023727 /nfs/dbraw/zinc/02/37/27/344023727.db2.gz HNCRAWVDGBIFHC-BKPPORCPSA-N 0 0 239.344 2.220 10 0 BEAERN COC(=O)c1csc(N[C@H]2CC2(C)C)n1 ZINC000167739407 346918356 /nfs/dbraw/zinc/91/83/56/346918356.db2.gz PPAOEVPJNVOBIZ-ZETCQYMHSA-N 0 0 226.301 2.140 10 0 BEAERN CC[C@H](C(C)=O)C(=O)NCCc1cccs1 ZINC000140471777 343073060 /nfs/dbraw/zinc/07/30/60/343073060.db2.gz VMBLUNFCNKLPFC-LLVKDONJSA-N 0 0 239.340 2.022 10 0 BEAERN CSc1nc2c(cc1C[NH3+])CCCC2 ZINC000043410093 343064956 /nfs/dbraw/zinc/06/49/56/343064956.db2.gz ZBMHYHXWNWTDJM-UHFFFAOYSA-N 0 0 208.330 2.141 10 0 BEAERN COC(=O)[C@]1(C(C)C)Cc2ccccc2O1 ZINC000139599803 343066612 /nfs/dbraw/zinc/06/66/12/343066612.db2.gz TULBKEHQBNEMDS-CYBMUJFWSA-N 0 0 220.268 2.189 10 0 BEAERN CCn1cc([C@@H](O)c2cccs2)cn1 ZINC000043468340 343078960 /nfs/dbraw/zinc/07/89/60/343078960.db2.gz WNQZRTYWAWKLQQ-SNVBAGLBSA-N 0 0 208.286 2.046 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(ccc(C)c2F)N1 ZINC000584881109 343082056 /nfs/dbraw/zinc/08/20/56/343082056.db2.gz CLJCXBWIPVLHPU-JTQLQIEISA-N 0 0 223.247 2.034 10 0 BEAERN O=C(N[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000049043192 343083808 /nfs/dbraw/zinc/08/38/08/343083808.db2.gz RZLLHVCIKCPPDJ-RYUDHWBXSA-N 0 0 201.269 2.069 10 0 BEAERN Cc1csc(NC[C@H]2CCCCO2)n1 ZINC000042822828 362026399 /nfs/dbraw/zinc/02/63/99/362026399.db2.gz DUSTWEHTFDQAQL-SECBINFHSA-N 0 0 212.318 2.433 10 0 BEAERN CCNc1c2c(C(C)(C)C)nn(C)c2ncc1N ZINC000584882145 343084313 /nfs/dbraw/zinc/08/43/13/343084313.db2.gz PACFBEOGABSEFD-UHFFFAOYSA-N 0 0 247.346 2.280 10 0 BEAERN COc1cc(Cl)c(OC)c2cc(N)cnc12 ZINC000584882770 343085681 /nfs/dbraw/zinc/08/56/81/343085681.db2.gz QFPSHCLMZKZLHL-UHFFFAOYSA-N 0 0 238.674 2.488 10 0 BEAERN CCOc1ccc(Br)nc1F ZINC000584883248 343085837 /nfs/dbraw/zinc/08/58/37/343085837.db2.gz NTJCKQUNOBSTIW-UHFFFAOYSA-N 0 0 220.041 2.382 10 0 BEAERN c1cnc(N2CC[C@H]3CCCC[C@@H]32)nc1 ZINC000067448017 343090513 /nfs/dbraw/zinc/09/05/13/343090513.db2.gz CMMQXRKSPQXFTB-MNOVXSKESA-N 0 0 203.289 2.246 10 0 BEAERN C[C@H](O)c1ccc(N2CCC[C@H](C)C2)nc1 ZINC000124895832 343075335 /nfs/dbraw/zinc/07/53/35/343075335.db2.gz NZFOSSZYXMEGLL-QWRGUYRKSA-N 0 0 220.316 2.371 10 0 BEAERN OCCC[C@H](O)c1cc2ccccc2o1 ZINC000236496207 343096868 /nfs/dbraw/zinc/09/68/68/343096868.db2.gz SKRDPZZCIUYBSF-JTQLQIEISA-N 0 0 206.241 2.239 10 0 BEAERN CCOC(CCCC1(C)OCCO1)OCC ZINC000043502980 343098815 /nfs/dbraw/zinc/09/88/15/343098815.db2.gz CEEFWUXIAUBFJR-UHFFFAOYSA-N 0 0 232.320 2.319 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000308868324 346926460 /nfs/dbraw/zinc/92/64/60/346926460.db2.gz HMVITCJPFSXXOD-NXEZZACHSA-N 0 0 226.707 2.450 10 0 BEAERN CCOC(=O)c1cc(F)c(F)c(OC)c1 ZINC000043503481 343100002 /nfs/dbraw/zinc/10/00/02/343100002.db2.gz XYHFLRWVMFPZMR-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CCOC(OCC)C(=O)C[C@H](C)CC ZINC000043504086 343100259 /nfs/dbraw/zinc/10/02/59/343100259.db2.gz FHZORVWDVDIRPB-SECBINFHSA-N 0 0 202.294 2.391 10 0 BEAERN CCCCOCCC(=O)C(OCC)OCC ZINC000043503764 343100459 /nfs/dbraw/zinc/10/04/59/343100459.db2.gz RCNSPXGISYSFCV-UHFFFAOYSA-N 0 0 232.320 2.161 10 0 BEAERN CCOC(OCC)C(=O)C(C)(C)CC ZINC000043503981 343100862 /nfs/dbraw/zinc/10/08/62/343100862.db2.gz BIDXUELEGJBKAD-UHFFFAOYSA-N 0 0 202.294 2.391 10 0 BEAERN C=Cc1ccc(C(=O)C(=O)OCC)cc1 ZINC000043504646 343101422 /nfs/dbraw/zinc/10/14/22/343101422.db2.gz VLLKJFDJLWDOBQ-UHFFFAOYSA-N 0 0 204.225 2.075 10 0 BEAERN CC(=O)CCN1CCO[C@H](c2ccccc2C)C1 ZINC000126085262 187232682 /nfs/dbraw/zinc/23/26/82/187232682.db2.gz URWOUBZGKPSREE-HNNXBMFYSA-N 0 0 247.338 2.347 10 0 BEAERN CO[C@@H]1CN(c2nsnc2Cl)CC[C@H]1C ZINC000299906608 349795231 /nfs/dbraw/zinc/79/52/31/349795231.db2.gz HHDDBTQFHQNYES-RNFRBKRXSA-N 0 0 247.751 2.053 10 0 BEAERN Cc1nc([C@@H](C)Nc2ncccn2)cs1 ZINC000170543362 136270246 /nfs/dbraw/zinc/27/02/46/136270246.db2.gz IKGGBUCPAIACPJ-SSDOTTSWSA-N 0 0 220.301 2.415 10 0 BEAERN CCCCN(CCCC)C(=O)OCCO ZINC000092747597 343148149 /nfs/dbraw/zinc/14/81/49/343148149.db2.gz PSKXYIYYRHYRJR-UHFFFAOYSA-N 0 0 217.309 2.018 10 0 BEAERN C[C@@H](O)CC[C@@H]1OC(=O)c2ccccc21 ZINC000014444832 343124527 /nfs/dbraw/zinc/12/45/27/343124527.db2.gz BOPXPQRBGFXGQN-KCJUWKMLSA-N 0 0 206.241 2.059 10 0 BEAERN CCOC(=O)c1sc(=O)[nH]c1-c1ccccc1 ZINC000039377695 343125282 /nfs/dbraw/zinc/12/52/82/343125282.db2.gz KUVOQWRTXPCJOZ-UHFFFAOYSA-N 0 0 249.291 2.280 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1[C@@H](O)C(C)(C)O ZINC000233906954 343127493 /nfs/dbraw/zinc/12/74/93/343127493.db2.gz IOETYWYCJVNEJD-OUAUKWLOSA-N 0 0 200.322 2.335 10 0 BEAERN Cn1cc(Sc2nccnc2Cl)cn1 ZINC000043538497 343131953 /nfs/dbraw/zinc/13/19/53/343131953.db2.gz JUUFROYYHGLJKN-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN Cc1nnc(Sc2nccnc2Cl)s1 ZINC000043538485 343132102 /nfs/dbraw/zinc/13/21/02/343132102.db2.gz DLYBDLIGUPPDCM-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN CC[C@@H]1C[C@@H]1NC1N=NC(=S)S1 ZINC000233922042 343133137 /nfs/dbraw/zinc/13/31/37/343133137.db2.gz XQLWEHSIYHFCKC-UHNVWZDZSA-N 0 0 201.320 2.037 10 0 BEAERN CN(Cc1cscn1)c1nccnc1Cl ZINC000043538380 343133490 /nfs/dbraw/zinc/13/34/90/343133490.db2.gz CIMXKIQASQTFSM-UHFFFAOYSA-N 0 0 240.719 2.223 10 0 BEAERN Clc1cncc(N2CCCSCC2)n1 ZINC000043537947 343133515 /nfs/dbraw/zinc/13/35/15/343133515.db2.gz ABUYHPINVGZCTD-UHFFFAOYSA-N 0 0 229.736 2.073 10 0 BEAERN Cc1ccc(CCC(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000133580032 136271850 /nfs/dbraw/zinc/27/18/50/136271850.db2.gz SBFKLHQRSXYIAO-QWHCGFSZSA-N 0 0 249.354 2.061 10 0 BEAERN Cc1cc(-c2cnc(=O)[nH]c2)ccc1Cl ZINC000065344680 343138339 /nfs/dbraw/zinc/13/83/39/343138339.db2.gz SYQNUBRRZIUGAC-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H]1c1cnc2[nH]ccc2c1 ZINC000165294730 343139881 /nfs/dbraw/zinc/13/98/81/343139881.db2.gz WKOBKBSBABFUCN-WDEREUQCSA-N 0 0 230.267 2.230 10 0 BEAERN CC(=O)N[C@H]1CCCn2c3cc(C)ccc3nc21 ZINC000144875579 343140739 /nfs/dbraw/zinc/14/07/39/343140739.db2.gz QTYWQDVNYZXRCZ-LBPRGKRZSA-N 0 0 243.310 2.316 10 0 BEAERN CC[C@@H](C)[C@H]1Nc2ccccc2NC1=O ZINC000031890418 343142029 /nfs/dbraw/zinc/14/20/29/343142029.db2.gz USEJKDHPEGYAPK-LDYMZIIASA-N 0 0 204.273 2.465 10 0 BEAERN CC(C)(C)OC(=O)/C=C/c1cccnc1 ZINC000094755535 343157277 /nfs/dbraw/zinc/15/72/77/343157277.db2.gz BINGWTOENXKHEV-VOTSOKGWSA-N 0 0 205.257 2.437 10 0 BEAERN CCCn1cnc2cccc(C(=O)[O-])c21 ZINC000083254325 187243100 /nfs/dbraw/zinc/24/31/00/187243100.db2.gz PUKHCPVRTKCXFW-UHFFFAOYSA-N 0 0 204.229 2.145 10 0 BEAERN COc1ccc2c(c1)O[C@@H](C1CC1)CC2=O ZINC000126588534 343170600 /nfs/dbraw/zinc/17/06/00/343170600.db2.gz RNQBAKABLIQBCH-GFCCVEGCSA-N 0 0 218.252 2.439 10 0 BEAERN CCCCOCCCNc1cccnn1 ZINC000127159551 343172343 /nfs/dbraw/zinc/17/23/43/343172343.db2.gz JJZXNWMUKQONHO-UHFFFAOYSA-N 0 0 209.293 2.095 10 0 BEAERN Cc1nc2c(n1CC(=O)C1CC1)CCCC2 ZINC000127348679 343173557 /nfs/dbraw/zinc/17/35/57/343173557.db2.gz RNYORHKONIEAIH-UHFFFAOYSA-N 0 0 218.300 2.049 10 0 BEAERN NC(=O)c1cc(C2CCCCC2)sc1N ZINC000125499228 343173590 /nfs/dbraw/zinc/17/35/90/343173590.db2.gz VAKRDESKJUCSAE-UHFFFAOYSA-N 0 0 224.329 2.477 10 0 BEAERN C=Cc1ccc(CN2CCCC2=O)cc1 ZINC000002572042 187246490 /nfs/dbraw/zinc/24/64/90/187246490.db2.gz OPJZLBJPUKRMRD-UHFFFAOYSA-N 0 0 201.269 2.452 10 0 BEAERN Cc1ccc(NC(=O)Cn2cccc2)cc1 ZINC000005055437 187247970 /nfs/dbraw/zinc/24/79/70/187247970.db2.gz VHBDMRWOIWRZKR-UHFFFAOYSA-N 0 0 214.268 2.435 10 0 BEAERN COCc1ccc(/C=C/C(=O)OC)cc1 ZINC000133876753 343186472 /nfs/dbraw/zinc/18/64/72/343186472.db2.gz ZZWDKGJDEKUMRB-BQYQJAHWSA-N 0 0 206.241 2.019 10 0 BEAERN Nc1cccc2c1n[nH]c2-c1ccncc1 ZINC000031991976 343227751 /nfs/dbraw/zinc/22/77/51/343227751.db2.gz KKQFJXTUZQQGOD-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN COc1ccc(C#CC(=O)C(C)C)cc1 ZINC000165719330 343228528 /nfs/dbraw/zinc/22/85/28/343228528.db2.gz IAJASXMLTGGPHP-UHFFFAOYSA-N 0 0 202.253 2.272 10 0 BEAERN CSc1ncc2c(ccn(C(C)C)c2=O)n1 ZINC000013366090 187250862 /nfs/dbraw/zinc/25/08/62/187250862.db2.gz JMRVLOBGANPHJH-UHFFFAOYSA-N 0 0 235.312 2.094 10 0 BEAERN CON(C)c1ccc(N)cc1Br ZINC000043597051 343242321 /nfs/dbraw/zinc/24/23/21/343242321.db2.gz JDZYEMMJZMWFJO-UHFFFAOYSA-N 0 0 231.093 2.029 10 0 BEAERN C[C@H]1CC(=O)CCN1CC=C(Cl)Cl ZINC000407454950 343283603 /nfs/dbraw/zinc/28/36/03/343283603.db2.gz NMYWXEAIDFTSKN-ZETCQYMHSA-N 0 0 222.115 2.359 10 0 BEAERN C=CC[C@H](Cc1ccc(C)cc1)C(N)=O ZINC000238475754 343257404 /nfs/dbraw/zinc/25/74/04/343257404.db2.gz VXRDONDNIJBDJR-GFCCVEGCSA-N 0 0 203.285 2.215 10 0 BEAERN CCN(CC)c1ccc(C#N)cc1C=O ZINC000146271426 343289158 /nfs/dbraw/zinc/28/91/58/343289158.db2.gz MDWFKIOXZODBNX-UHFFFAOYSA-N 0 0 202.257 2.217 10 0 BEAERN Cc1ccc(N)cc1Cc1c(N)cccc1N ZINC000033637483 343258306 /nfs/dbraw/zinc/25/83/06/343258306.db2.gz YMQZQNVOGOKUOP-UHFFFAOYSA-N 0 0 227.311 2.332 10 0 BEAERN CCO[C@H](C)OC[C@@H](C)O[C@@H](C)OCC ZINC000033839262 343261932 /nfs/dbraw/zinc/26/19/32/343261932.db2.gz TZVJNJVDGXFMCF-VWYCJHECSA-N 0 0 220.309 2.173 10 0 endogenous,in-man BEAERN Fc1ccc(-c2cc3nccn3[nH]2)cc1 ZINC000033898417 343262464 /nfs/dbraw/zinc/26/24/64/343262464.db2.gz TWXLPMFPJGQJCA-UHFFFAOYSA-N 0 0 201.204 2.469 10 0 BEAERN CCOc1ccc([C@@H](C)c2c[nH]cn2)nc1 ZINC000034050019 343263845 /nfs/dbraw/zinc/26/38/45/343263845.db2.gz QEKPWAOPMKAEJC-SECBINFHSA-N 0 0 217.272 2.355 10 0 BEAERN COc1ccc2c(c1)SCCC(=O)N2 ZINC000034160142 343265508 /nfs/dbraw/zinc/26/55/08/343265508.db2.gz UGYYKNIFLAJPAS-UHFFFAOYSA-N 0 0 209.270 2.130 10 0 BEAERN CC(C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000034145789 343265604 /nfs/dbraw/zinc/26/56/04/343265604.db2.gz HCHQOEZVKUQSDQ-JTQLQIEISA-N 0 0 208.257 2.495 10 0 BEAERN CC(C)=CCn1c(=O)ccc2c1CCCC2=O ZINC000034217946 343266666 /nfs/dbraw/zinc/26/66/66/343266666.db2.gz JHBYKHOQCUGISC-UHFFFAOYSA-N 0 0 231.295 2.334 10 0 BEAERN Nc1c(F)cc(C=O)c(F)c1Br ZINC000034330886 343267873 /nfs/dbraw/zinc/26/78/73/343267873.db2.gz OGOLSJPCDPNAAR-UHFFFAOYSA-N 0 0 236.015 2.122 10 0 BEAERN COC(=O)CNc1cc(C)nc2ccccc21 ZINC000035206554 343289848 /nfs/dbraw/zinc/28/98/48/343289848.db2.gz HVOMZTOVLYRDPG-UHFFFAOYSA-N 0 0 230.267 2.128 10 0 BEAERN COP(=O)(OC)c1ccccc1C ZINC000139285525 343296302 /nfs/dbraw/zinc/29/63/02/343296302.db2.gz GCSOCNSAUQLHSB-UHFFFAOYSA-N 0 0 200.174 2.106 10 0 BEAERN CCOC(=O)/C=C/c1cc(F)cc(OC)c1 ZINC000146577847 343304409 /nfs/dbraw/zinc/30/44/09/343304409.db2.gz YECZVESUIVZQAE-SNAWJCMRSA-N 0 0 224.231 2.411 10 0 BEAERN COc1ccc(-c2cc(CO)ccc2N)cc1 ZINC000166157915 343308944 /nfs/dbraw/zinc/30/89/44/343308944.db2.gz YNUWUOLTZNGVKD-UHFFFAOYSA-N 0 0 229.279 2.437 10 0 BEAERN Clc1cccc2[nH]nc(N3CCOCC3)c21 ZINC000038918742 343380167 /nfs/dbraw/zinc/38/01/67/343380167.db2.gz QRKZCHLUFCVCHA-UHFFFAOYSA-N 0 0 237.690 2.053 10 0 BEAERN CC(=O)O[C@@H]1CCC(=O)c2ccccc21 ZINC000038312936 343373849 /nfs/dbraw/zinc/37/38/49/343373849.db2.gz MUOHPPODVWBDEU-GFCCVEGCSA-N 0 0 204.225 2.267 10 0 BEAERN CC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000201288408 343374893 /nfs/dbraw/zinc/37/48/93/343374893.db2.gz AHUKGAQPRCVYSE-VIFPVBQESA-N 0 0 218.174 2.328 10 0 BEAERN Cc1occ2c1c(=O)n(O)c1ccccc21 ZINC000038435538 343374942 /nfs/dbraw/zinc/37/49/42/343374942.db2.gz RSSBGXVDIOWHBF-UHFFFAOYSA-N 0 0 215.208 2.293 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C)CC1 ZINC000216823319 343376188 /nfs/dbraw/zinc/37/61/88/343376188.db2.gz UZTLPGPYHFJGHH-GHMZBOCLSA-N 0 0 213.321 2.218 10 0 BEAERN CN(c1ccc(Cl)nn1)[C@@H]1CCSC1 ZINC000037175649 343337976 /nfs/dbraw/zinc/33/79/76/343337976.db2.gz YAMKUCNFSLRRJZ-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN CC1(C)C=Cc2cc(C=O)c(O)cc2O1 ZINC000039434620 187255680 /nfs/dbraw/zinc/25/56/80/187255680.db2.gz XNEKIILFDVSPTH-UHFFFAOYSA-N 0 0 204.225 2.389 10 0 BEAERN OCc1nccn1Cc1ccc(Cl)s1 ZINC000060280950 343350846 /nfs/dbraw/zinc/35/08/46/343350846.db2.gz NVUGTSHGTJARAE-UHFFFAOYSA-N 0 0 228.704 2.139 10 0 BEAERN CCc1cnc(NCc2cc[nH]n2)s1 ZINC000134993211 343352407 /nfs/dbraw/zinc/35/24/07/343352407.db2.gz NHBNYBYQTFXEAL-UHFFFAOYSA-N 0 0 208.290 2.041 10 0 BEAERN CC[C@H]1OCC[C@@H]1c1nc(Br)no1 ZINC000234105123 343354652 /nfs/dbraw/zinc/35/46/52/343354652.db2.gz MCUPVDHJLNMXHN-NTSWFWBYSA-N 0 0 247.092 2.115 10 0 BEAERN COc1ccc(Cn2nc(C)c(C=O)c2C)cc1 ZINC000036868031 187258630 /nfs/dbraw/zinc/25/86/30/187258630.db2.gz MVTAXJHLUMWNBU-UHFFFAOYSA-N 0 0 244.294 2.369 10 0 BEAERN Cc1ccc(CC(=O)N[C@@H](C)C(C)C)cc1O ZINC000089433717 178520815 /nfs/dbraw/zinc/52/08/15/178520815.db2.gz RCEGISYEGNNQQM-NSHDSACASA-N 0 0 235.327 2.404 10 0 BEAERN O=C(CN1CCCCC1)c1ccc2c(c1)CCN2 ZINC000041619742 343422135 /nfs/dbraw/zinc/42/21/35/343422135.db2.gz BTGRYUPRGPSEDF-UHFFFAOYSA-N 0 0 244.338 2.323 10 0 BEAERN CO[C@@H](c1ccc(O)c(C=O)c1O)C(C)C ZINC000039098779 343382990 /nfs/dbraw/zinc/38/29/90/343382990.db2.gz FIGNQCZGUIWKCN-GFCCVEGCSA-N 0 0 224.256 2.254 10 0 BEAERN CCOc1noc(C)c1-c1cccnc1 ZINC000039099281 343383128 /nfs/dbraw/zinc/38/31/28/343383128.db2.gz XFWSGIIFYGTODM-UHFFFAOYSA-N 0 0 204.229 2.444 10 0 BEAERN CCOc1nc(-c2ccccc2)nnc1C ZINC000039100166 343383571 /nfs/dbraw/zinc/38/35/71/343383571.db2.gz VSTUNJPIRVPVLW-UHFFFAOYSA-N 0 0 215.256 2.246 10 0 BEAERN CC(C)(C)[C@]1(C)NC(=S)C(=O)S1 ZINC000039105224 343384864 /nfs/dbraw/zinc/38/48/64/343384864.db2.gz FXNKKVFXJWEMOL-MRVPVSSYSA-N 0 0 203.332 2.350 10 0 BEAERN CC(C)=C[C@@]1(C)NC(=S)C(=O)S1 ZINC000039105032 343384967 /nfs/dbraw/zinc/38/49/67/343384967.db2.gz PLMIKVACRMJSMV-QMMMGPOBSA-N 0 0 201.316 2.271 10 0 BEAERN O=C1CCc2cc(F)c(F)c(F)c2C1 ZINC000039111280 343385458 /nfs/dbraw/zinc/38/54/58/343385458.db2.gz ZEPKQIMKMVIHDQ-UHFFFAOYSA-N 0 0 200.159 2.162 10 0 BEAERN COc1cc2c(c(OC)c1)[C@H]1C=CO[C@@H]1O2 ZINC000039149980 343386013 /nfs/dbraw/zinc/38/60/13/343386013.db2.gz KEFXQTPQVMBKRL-PRHODGIISA-N 0 0 220.224 2.050 10 0 BEAERN COc1cccc([C@]23C[C@H](CCC2)N(C)C3=O)c1 ZINC000039201440 343386865 /nfs/dbraw/zinc/38/68/65/343386865.db2.gz YSOZWSBOBWQAHQ-SWLSCSKDSA-N 0 0 245.322 2.348 10 0 BEAERN Cc1ccc2c(c1)[C@@H](N)C(=O)N2C1CCCC1 ZINC000039941559 343393695 /nfs/dbraw/zinc/39/36/95/343393695.db2.gz XPJGETKGPOUASR-CYBMUJFWSA-N 0 0 230.311 2.284 10 0 BEAERN CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000040443126 343403453 /nfs/dbraw/zinc/40/34/53/343403453.db2.gz ZDIZVOYIUYVPCG-VHSXEESVSA-N 0 0 229.320 2.014 10 0 BEAERN C/C=C\CN[C@@H](C(=O)OC)c1ccccc1 ZINC000220027151 343411971 /nfs/dbraw/zinc/41/19/71/343411971.db2.gz BQGXAGICAJOLMH-VSQXVHSFSA-N 0 0 219.284 2.066 10 0 BEAERN CC(C)c1cc(=O)[nH]c(NCc2ccco2)n1 ZINC000041205269 343416549 /nfs/dbraw/zinc/41/65/49/343416549.db2.gz DFLQGQFGXWBQOU-UHFFFAOYSA-N 0 0 233.271 2.098 10 0 BEAERN CC(C)(C)OC(=O)NCCNc1cccnc1 ZINC000135009839 343424906 /nfs/dbraw/zinc/42/49/06/343424906.db2.gz HXFMMUXZTBEXJR-UHFFFAOYSA-N 0 0 237.303 2.018 10 0 BEAERN Nc1cn([C@H]2CCOC2)c2ccc(F)cc12 ZINC000149584673 343432965 /nfs/dbraw/zinc/43/29/65/343432965.db2.gz LPLUXDHRFBSFFK-VIFPVBQESA-N 0 0 220.247 2.324 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOC(C)(C)C1 ZINC000335716690 136339713 /nfs/dbraw/zinc/33/97/13/136339713.db2.gz KPOLBHZHBJKSOW-MNOVXSKESA-N 0 0 225.332 2.060 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOC(C)(C)C1 ZINC000335716692 136339735 /nfs/dbraw/zinc/33/97/35/136339735.db2.gz KPOLBHZHBJKSOW-WDEREUQCSA-N 0 0 225.332 2.060 10 0 BEAERN Brc1cccnc1-n1cccn1 ZINC000042376339 343435991 /nfs/dbraw/zinc/43/59/91/343435991.db2.gz NXYKFPFGSBLYPR-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Cc1ccc(C(=O)NCC(C)C)c(C)n1 ZINC000048384384 136372879 /nfs/dbraw/zinc/37/28/79/136372879.db2.gz ZSBKZIXFACZELQ-UHFFFAOYSA-N 0 0 206.289 2.084 10 0 BEAERN Cc1nccc(CNCc2cccc(F)c2F)n1 ZINC000038037916 187261750 /nfs/dbraw/zinc/26/17/50/187261750.db2.gz BLACRCLJJTVMDC-UHFFFAOYSA-N 0 0 249.264 2.353 10 0 BEAERN CC[C@@H](Nc1ccc(C(=O)OC)nn1)C(C)C ZINC000042591030 343445020 /nfs/dbraw/zinc/44/50/20/343445020.db2.gz YEWVACVYFPRNOM-SECBINFHSA-N 0 0 237.303 2.110 10 0 BEAERN OCCCSCCOCCc1ccccc1 ZINC000150287742 343482914 /nfs/dbraw/zinc/48/29/14/343482914.db2.gz GBGSHOMIBDHULR-UHFFFAOYSA-N 0 0 240.368 2.361 10 0 BEAERN C=C/C=C(\C)C[C@@H]1CCN[C@@H](C(=O)OC)C1 ZINC000039941333 187262807 /nfs/dbraw/zinc/26/28/07/187262807.db2.gz QZRWYSGSJJMKIZ-RGEGJOEESA-N 0 0 223.316 2.050 10 0 BEAERN Cc1ccc2sc(NCCO)nc2c1 ZINC000045237256 343526594 /nfs/dbraw/zinc/52/65/94/343526594.db2.gz DRZVWKJFXHADQU-UHFFFAOYSA-N 0 0 208.286 2.009 10 0 BEAERN CC[C@H]1CCOCCN1C(=O)OC(C)(C)C ZINC000616660750 343532663 /nfs/dbraw/zinc/53/26/63/343532663.db2.gz WVWFNVXJPPVHGI-JTQLQIEISA-N 0 0 229.320 2.422 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cnoc1 ZINC000616684538 343537708 /nfs/dbraw/zinc/53/77/08/343537708.db2.gz UQGJAMSOUDIDNJ-LBPRGKRZSA-N 0 0 215.256 2.278 10 0 BEAERN CC[C@H]1C[C@@H]1NC1N=NC(=S)S1 ZINC000234152779 343500191 /nfs/dbraw/zinc/50/01/91/343500191.db2.gz XQLWEHSIYHFCKC-WHFBIAKZSA-N 0 0 201.320 2.037 10 0 BEAERN C[C@@H]1CSCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000379532906 343571804 /nfs/dbraw/zinc/57/18/04/343571804.db2.gz SJMRSUIEVUZBED-YFKTTZPYSA-N 0 0 239.384 2.244 10 0 BEAERN CSc1ccc([C@@H](O)C(F)(F)F)cn1 ZINC000204204758 343561331 /nfs/dbraw/zinc/56/13/31/343561331.db2.gz AWVSNULQHLOHBE-SSDOTTSWSA-N 0 0 223.219 2.399 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000047833044 343566308 /nfs/dbraw/zinc/56/63/08/343566308.db2.gz BXQMEEMQOOCJNB-SECBINFHSA-N 0 0 244.294 2.056 10 0 BEAERN Cc1cc(C)cc(NCCC(=O)NC2CC2)c1 ZINC000047915435 343568019 /nfs/dbraw/zinc/56/80/19/343568019.db2.gz IDPLYDRRLNOOFA-UHFFFAOYSA-N 0 0 232.327 2.384 10 0 BEAERN CNc1ncnc(SC)c1Br ZINC000234535657 343583644 /nfs/dbraw/zinc/58/36/44/343583644.db2.gz WNJCPCRNSGWWNP-UHFFFAOYSA-N 0 0 234.122 2.003 10 0 BEAERN CN(c1cc(Cl)ncn1)[C@H]1CCSC1 ZINC000048631212 343585477 /nfs/dbraw/zinc/58/54/77/343585477.db2.gz WPCZDWJVVRRCSB-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN CC(C)(C)NC(=O)C1(c2cccc(O)c2)CC1 ZINC000204728665 343586814 /nfs/dbraw/zinc/58/68/14/343586814.db2.gz AYFGXGMPJFJHBI-UHFFFAOYSA-N 0 0 233.311 2.339 10 0 BEAERN Cc1cccnc1NCC1CCOCC1 ZINC000082544974 187266362 /nfs/dbraw/zinc/26/63/62/187266362.db2.gz OWCUWHFBTPBMOQ-UHFFFAOYSA-N 0 0 206.289 2.229 10 0 BEAERN CCCc1cncc(Br)n1 ZINC000044119912 187268056 /nfs/dbraw/zinc/26/80/56/187268056.db2.gz CHPAUOPYPIHKMC-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN CCCCC[C@@H](O)C/C=C/C(=O)OC ZINC000205105870 343618101 /nfs/dbraw/zinc/61/81/01/343618101.db2.gz MJOFEFOLNMDMQG-OLKPEBQYSA-N 0 0 200.278 2.047 10 0 BEAERN COCc1ccccc1NCc1nccn1C ZINC000049508512 343600500 /nfs/dbraw/zinc/60/05/00/343600500.db2.gz CKTMOHVKWOFEQJ-UHFFFAOYSA-N 0 0 231.299 2.179 10 0 BEAERN CCc1ccc(C2N=NC(=S)N2)s1 ZINC000043640249 343634469 /nfs/dbraw/zinc/63/44/69/343634469.db2.gz BTTOGUCJEBAEHZ-UHFFFAOYSA-N 0 0 211.315 2.384 10 0 BEAERN c1cc2c(s1)CCN[C@@H]2c1cnsc1 ZINC000712922343 537796459 /nfs/dbraw/zinc/79/64/59/537796459.db2.gz GWAVCWOYGSETFF-SNVBAGLBSA-N 0 0 222.338 2.440 10 0 BEAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCOCC1 ZINC000158135599 133498271 /nfs/dbraw/zinc/49/82/71/133498271.db2.gz LEKJQKIYELBLCL-STQMWFEESA-N 0 0 237.343 2.062 10 0 BEAERN Cc1ccc([C@@H](C)Nc2cc(C#N)ncn2)o1 ZINC000379782839 343624674 /nfs/dbraw/zinc/62/46/74/343624674.db2.gz XXJMHEHVKKYPJB-SECBINFHSA-N 0 0 228.255 2.423 10 0 BEAERN C[C@H]1CN(c2ccc(C=O)o2)CCS1 ZINC000123537726 537795421 /nfs/dbraw/zinc/79/54/21/537795421.db2.gz TXVWFTYPCAHZDF-QMMMGPOBSA-N 0 0 211.286 2.034 10 0 BEAERN Nc1nn(C[C@@H]2CC23CC3)cc1Br ZINC000722677145 537801184 /nfs/dbraw/zinc/80/11/84/537801184.db2.gz CQPUEWZRWSZZRG-LURJTMIESA-N 0 0 242.120 2.028 10 0 BEAERN CO[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000055200752 343666005 /nfs/dbraw/zinc/66/60/05/343666005.db2.gz WMROAKBCKLFAQN-JGVFFNPUSA-N 0 0 243.253 2.177 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC(C)(C)C[C@H]2C ZINC000300062925 537803886 /nfs/dbraw/zinc/80/38/86/537803886.db2.gz PCHBNHYDPCTXGS-ZHAHWJHGSA-N 0 0 212.289 2.143 10 0 BEAERN CCNc1cc(NCc2ccccc2)nc(N)n1 ZINC000128357698 346953171 /nfs/dbraw/zinc/95/31/71/346953171.db2.gz NCYTXESLBRUZHE-UHFFFAOYSA-N 0 0 243.314 2.103 10 0 BEAERN C[C@H](C1CC1)n1ncc(Br)c1N ZINC000043666209 343697341 /nfs/dbraw/zinc/69/73/41/343697341.db2.gz ZFNXIBIVKKJJDB-RXMQYKEDSA-N 0 0 230.109 2.199 10 0 BEAERN CNc1ncccc1CSc1cc(C)nn1C ZINC000052756668 187270883 /nfs/dbraw/zinc/27/08/83/187270883.db2.gz OKZKIOLAPRSXDH-UHFFFAOYSA-N 0 0 248.355 2.458 10 0 BEAERN Cc1nnc(NCC(F)(F)C(F)F)s1 ZINC000230712984 346955461 /nfs/dbraw/zinc/95/54/61/346955461.db2.gz FNUPVSWMSZRWLF-UHFFFAOYSA-N 0 0 229.202 2.159 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000300033550 537802681 /nfs/dbraw/zinc/80/26/81/537802681.db2.gz XMZVUWNDONRARP-JZSSXWJLSA-N 0 0 232.707 2.320 10 0 BEAERN COc1cccc(C2(O)CCC(=O)CC2)c1 ZINC000059550956 343710541 /nfs/dbraw/zinc/71/05/41/343710541.db2.gz OUWPXYDIJLVUSG-UHFFFAOYSA-N 0 0 220.268 2.026 10 0 BEAERN COc1cc2c(c(C=O)cn2C)c(C)c1 ZINC000059731292 343712634 /nfs/dbraw/zinc/71/26/34/343712634.db2.gz ZCFWDQXILTYXFQ-UHFFFAOYSA-N 0 0 203.241 2.308 10 0 BEAERN Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C ZINC000095705195 343715742 /nfs/dbraw/zinc/71/57/42/343715742.db2.gz UVRXHABLVFPICV-UHFFFAOYSA-N 0 0 237.303 2.108 10 0 BEAERN Cc1ncn(Cc2cccc(N)c2C)c1C ZINC000051925976 187271221 /nfs/dbraw/zinc/27/12/21/187271221.db2.gz DJFDWGCGHQTDRA-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN C[C@@H](NN)c1cc2c(s1)CCSC2 ZINC000127153690 343772188 /nfs/dbraw/zinc/77/21/88/343772188.db2.gz MEAIJRYOIMAZSR-ZCFIWIBFSA-N 0 0 214.359 2.062 10 0 BEAERN Cn1cc(Cl)cc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000335871515 344037178 /nfs/dbraw/zinc/03/71/78/344037178.db2.gz BXTBZDJVAPQQMQ-PSASIEDQSA-N 0 0 238.718 2.303 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062778581 346964490 /nfs/dbraw/zinc/96/44/90/346964490.db2.gz WNVCTGMUFNJKIC-QMMMGPOBSA-N 0 0 214.677 2.206 10 0 BEAERN CC(C)Cn1cnnc1-c1ccc(N)cc1 ZINC000054526201 187271764 /nfs/dbraw/zinc/27/17/64/187271764.db2.gz RLUVHTBQJKJRBO-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN CC(=O)Nc1cccc(-c2cc[nH]c(=O)c2)c1 ZINC000065339308 187273849 /nfs/dbraw/zinc/27/38/49/187273849.db2.gz FJRQQWMQCMBZRW-UHFFFAOYSA-N 0 0 228.251 2.000 10 0 BEAERN Fc1ccc([C@H]2NCCS2)c(F)c1 ZINC000050522752 343782130 /nfs/dbraw/zinc/78/21/30/343782130.db2.gz LSYOEFWWDYJDAZ-VIFPVBQESA-N 0 0 201.241 2.300 10 0 BEAERN CN(C)c1nc(Cl)c2ccccc2n1 ZINC000039434706 343784048 /nfs/dbraw/zinc/78/40/48/343784048.db2.gz WSLBXUUJVCFGJH-UHFFFAOYSA-N 0 0 207.664 2.349 10 0 BEAERN C1CC[C@@H](c2[nH]nc3c2CCCC3)[NH2+]C1 ZINC000107242178 343785771 /nfs/dbraw/zinc/78/57/71/343785771.db2.gz WVKPIHGWEVUJAW-NSHDSACASA-N 0 0 205.305 2.103 10 0 BEAERN O=C1C[C@H](c2ccccc2Cl)CCN1 ZINC000210725637 343792052 /nfs/dbraw/zinc/79/20/52/343792052.db2.gz MJKXDWSLNQKDCV-MRVPVSSYSA-N 0 0 209.676 2.334 10 0 BEAERN COc1ccc(Cl)cc1-c1cc(=O)[nH]cn1 ZINC000234852105 343794777 /nfs/dbraw/zinc/79/47/77/343794777.db2.gz VHDDHUMWFXZFFM-UHFFFAOYSA-N 0 0 236.658 2.099 10 0 BEAERN Cc1nc(-c2c(F)cccc2F)cc(=O)[nH]1 ZINC000235940571 343795372 /nfs/dbraw/zinc/79/53/72/343795372.db2.gz LEJBGOOZAAXWQE-UHFFFAOYSA-N 0 0 222.194 2.024 10 0 BEAERN CC(C)(C)c1cccnc1-c1nsc(N)n1 ZINC000067173920 187273596 /nfs/dbraw/zinc/27/35/96/187273596.db2.gz LYGXINMTTGTPEJ-UHFFFAOYSA-N 0 0 234.328 2.480 10 0 BEAERN C[C@H](C(=O)[O-])[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000409427266 343800568 /nfs/dbraw/zinc/80/05/68/343800568.db2.gz IMXHXIJHFGVYBL-PWSUYJOCSA-N 0 0 234.299 2.082 10 0 BEAERN CN(c1cc(Cl)ncn1)C1CCSCC1 ZINC000403777841 343812092 /nfs/dbraw/zinc/81/20/92/343812092.db2.gz NMTDUIYDUITJLD-UHFFFAOYSA-N 0 0 243.763 2.462 10 0 BEAERN S=c1[nH]cnc2nc(-c3ccccc3)ncc21 ZINC000068575342 187274546 /nfs/dbraw/zinc/27/45/46/187274546.db2.gz INOQSYITPPQBTI-UHFFFAOYSA-N 0 0 240.291 2.376 10 0 BEAERN C=C(OCC)c1cccc2c1CC(=O)N2 ZINC000090460545 187275230 /nfs/dbraw/zinc/27/52/30/187275230.db2.gz FEWJBPXGYOZKBD-UHFFFAOYSA-N 0 0 203.241 2.188 10 0 BEAERN O=c1ccc(N2CCC[C@H]3CCCC[C@H]32)n[nH]1 ZINC000409426194 343821987 /nfs/dbraw/zinc/82/19/87/343821987.db2.gz DQHRMRMVTSQGIQ-GHMZBOCLSA-N 0 0 233.315 2.341 10 0 BEAERN O=c1cc(CCC2CCCC2)[nH]c(=O)[nH]1 ZINC000409432067 343825051 /nfs/dbraw/zinc/82/50/51/343825051.db2.gz SUDSRCYURNFACC-UHFFFAOYSA-N 0 0 208.261 2.011 10 0 BEAERN COc1cccc(Cc2cc(=O)[nH]c(=S)[nH]2)c1 ZINC000409432141 343825072 /nfs/dbraw/zinc/82/50/72/343825072.db2.gz UJANKONFZNHVPE-UHFFFAOYSA-N 0 0 248.307 2.070 10 0 BEAERN COC(=O)c1cc2c(nc1Cl)CCC2 ZINC000238388132 537818978 /nfs/dbraw/zinc/81/89/78/537818978.db2.gz ZAQBVBUVOUOYRB-UHFFFAOYSA-N 0 0 211.648 2.010 10 0 BEAERN CCOC(=O)c1ccc(N2CCCC[C@@H]2C)nn1 ZINC000409429771 343806643 /nfs/dbraw/zinc/80/66/43/343806643.db2.gz STSBFVMIYIBPTO-JTQLQIEISA-N 0 0 249.314 2.032 10 0 BEAERN CC(C)(C)c1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000067173305 187274244 /nfs/dbraw/zinc/27/42/44/187274244.db2.gz OWZWOCHGCLWKHN-NEPJUHHUSA-N 0 0 247.338 2.372 10 0 BEAERN Cc1oncc1-c1cc(Cl)nc(C)n1 ZINC000409430118 343807605 /nfs/dbraw/zinc/80/76/05/343807605.db2.gz LFJPSKRYUIHDHJ-UHFFFAOYSA-N 0 0 209.636 2.402 10 0 BEAERN COC[C@@H]1CC(F)(F)CN1c1ccccc1N ZINC000409430869 343809381 /nfs/dbraw/zinc/80/93/81/343809381.db2.gz JGCPEDCVAJFZKS-VIFPVBQESA-N 0 0 242.269 2.129 10 0 BEAERN CCn1cc(CO)c(-c2ccccc2)n1 ZINC000409440836 343856214 /nfs/dbraw/zinc/85/62/14/343856214.db2.gz VCLDNHOCUVLYNW-UHFFFAOYSA-N 0 0 202.257 2.062 10 0 BEAERN CC(C)c1n[nH]c(C2CCOCC2)c1C=O ZINC000409441280 343856282 /nfs/dbraw/zinc/85/62/82/343856282.db2.gz QPOKLBPQCPQYGJ-UHFFFAOYSA-N 0 0 222.288 2.240 10 0 BEAERN FC(F)[C@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000409433950 343831056 /nfs/dbraw/zinc/83/10/56/343831056.db2.gz ZIRAHAAAWBODHL-LURJTMIESA-N 0 0 233.649 2.221 10 0 BEAERN Brc1ncc(-n2cccn2)s1 ZINC000072193210 187276201 /nfs/dbraw/zinc/27/62/01/187276201.db2.gz YMSZPMUVZSNZJR-UHFFFAOYSA-N 0 0 230.090 2.091 10 0 BEAERN Brc1ncsc1-c1cncnc1 ZINC000072192326 187276291 /nfs/dbraw/zinc/27/62/91/187276291.db2.gz CXGJBHJIUFHWMR-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN CCN(c1nccnc1Cl)C1CCOCC1 ZINC000409436362 343838620 /nfs/dbraw/zinc/83/86/20/343838620.db2.gz ZMZYIGNRMWGMEG-UHFFFAOYSA-N 0 0 241.722 2.135 10 0 BEAERN OCCc1c(-c2ccccc2)n[nH]c1C1CC1 ZINC000409442113 343857486 /nfs/dbraw/zinc/85/74/86/343857486.db2.gz WRLATWMSVROYIH-UHFFFAOYSA-N 0 0 228.295 2.489 10 0 BEAERN O=c1cc(-c2cccs2)n(C2CC2)c(=O)[nH]1 ZINC000409437553 343840896 /nfs/dbraw/zinc/84/08/96/343840896.db2.gz HBEOEHWXSVZIOX-UHFFFAOYSA-N 0 0 234.280 2.012 10 0 BEAERN O=c1cc(-c2cccs2)[n-]n1[C@@H]1CCC[NH2+]C1 ZINC000409436819 343841131 /nfs/dbraw/zinc/84/11/31/343841131.db2.gz AYTQHFOIQLRYPM-SECBINFHSA-N 0 0 249.339 2.242 10 0 BEAERN Cc1ccccc1-c1cc(=S)[nH]c(=O)[nH]1 ZINC000409437586 343841145 /nfs/dbraw/zinc/84/11/45/343841145.db2.gz HIZQCHYQGNRKKH-UHFFFAOYSA-N 0 0 218.281 2.446 10 0 BEAERN CC(C)n1c(=O)[nH]c(=S)cc1C(C)(C)C ZINC000409438501 343844293 /nfs/dbraw/zinc/84/42/93/343844293.db2.gz NBEAUOPIPZLZNX-UHFFFAOYSA-N 0 0 226.345 2.410 10 0 BEAERN OCCn1nc(-c2ccsc2)c2c1CCC2 ZINC000409438613 343844901 /nfs/dbraw/zinc/84/49/01/343844901.db2.gz MGXWEKIAYGLNMV-UHFFFAOYSA-N 0 0 234.324 2.093 10 0 BEAERN CCc1[nH]nc(-c2ccsc2)c1CO ZINC000409438671 343844941 /nfs/dbraw/zinc/84/49/41/343844941.db2.gz DYFREWHYFGMVBP-UHFFFAOYSA-N 0 0 208.286 2.193 10 0 BEAERN OCc1cn(CCF)nc1-c1ccsc1 ZINC000409438602 343845001 /nfs/dbraw/zinc/84/50/01/343845001.db2.gz MEJSQRPNTSHHNO-UHFFFAOYSA-N 0 0 226.276 2.073 10 0 BEAERN Cc1nn2ccn(C3CCCC3)c2c1CO ZINC000409439121 343846405 /nfs/dbraw/zinc/84/64/05/343846405.db2.gz PTOVPNMDVLUDTC-UHFFFAOYSA-N 0 0 219.288 2.052 10 0 BEAERN O=c1cc(-c2cccs2)[n-]n1C[C@H]1CCC[NH2+]1 ZINC000409439163 343846646 /nfs/dbraw/zinc/84/66/46/343846646.db2.gz OAIPFQCJWQQMAN-SECBINFHSA-N 0 0 249.339 2.069 10 0 BEAERN CC(C)n1c(=O)[nH]c(=O)cc1-c1cccs1 ZINC000409439534 343847365 /nfs/dbraw/zinc/84/73/65/343847365.db2.gz RWIQTNNWXWKAPV-UHFFFAOYSA-N 0 0 236.296 2.258 10 0 BEAERN CC(C)n1c(-c2ccccc2)cc(=O)[nH]c1=O ZINC000409439647 343848092 /nfs/dbraw/zinc/84/80/92/343848092.db2.gz SVLXAXCCILZPGD-UHFFFAOYSA-N 0 0 230.267 2.197 10 0 BEAERN O[C@@H]1CCCn2cc(-c3ccsc3)nc21 ZINC000409437660 343848477 /nfs/dbraw/zinc/84/84/77/343848477.db2.gz IDRQLOKQWOVVSX-SNVBAGLBSA-N 0 0 220.297 2.439 10 0 BEAERN Cc1cc(Br)cnc1[C@@H](C)O ZINC000215405313 349878204 /nfs/dbraw/zinc/87/82/04/349878204.db2.gz FQXNXNVBFFTSKK-ZCFIWIBFSA-N 0 0 216.078 2.206 10 0 BEAERN COC(=N)Cn1nc(C2CC2)cc1C1CC1 ZINC000409438345 343850306 /nfs/dbraw/zinc/85/03/06/343850306.db2.gz CYJWOPGLNBUECO-UHFFFAOYSA-N 0 0 219.288 2.262 10 0 BEAERN Clc1nc(SC[C@H]2CCCO2)ns1 ZINC000071980755 187276884 /nfs/dbraw/zinc/27/68/84/187276884.db2.gz WCIKRYXXRJVHFD-RXMQYKEDSA-N 0 0 236.749 2.463 10 0 BEAERN CCc1[nH]nc(C2CCCC2)c1CCO ZINC000409440509 343852311 /nfs/dbraw/zinc/85/23/11/343852311.db2.gz NBWUERFOBPVXDM-UHFFFAOYSA-N 0 0 208.305 2.165 10 0 BEAERN COC(=O)C(C)(C)Cc1c(C)noc1C ZINC000585143241 343877751 /nfs/dbraw/zinc/87/77/51/343877751.db2.gz NGYCVHKNGLMZJM-UHFFFAOYSA-N 0 0 211.261 2.033 10 0 BEAERN Cc1ccc([C@H](C)NN)c(Br)c1 ZINC000127170578 343885577 /nfs/dbraw/zinc/88/55/77/343885577.db2.gz GHUMBVOAZPVQEC-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN CSCCCC(=O)Nc1cccc(C)n1 ZINC000128417090 346998830 /nfs/dbraw/zinc/99/88/30/346998830.db2.gz LMYHFVCGKWDODS-UHFFFAOYSA-N 0 0 224.329 2.472 10 0 BEAERN CCc1[nH]nc(-c2ccccc2)c1C(=O)OC ZINC000409442425 343858673 /nfs/dbraw/zinc/85/86/73/343858673.db2.gz ZTUWBDVZBPADHK-UHFFFAOYSA-N 0 0 230.267 2.426 10 0 BEAERN CCn1cc(CCO)c(-c2ccsc2)n1 ZINC000409441512 343859502 /nfs/dbraw/zinc/85/95/02/343859502.db2.gz YWQVPKQPSXEOGJ-UHFFFAOYSA-N 0 0 222.313 2.166 10 0 BEAERN CCc1[nH]nc(-c2cccs2)c1CO ZINC000409441668 343860666 /nfs/dbraw/zinc/86/06/66/343860666.db2.gz SNUUWFWMXZBEJS-UHFFFAOYSA-N 0 0 208.286 2.193 10 0 BEAERN NC(=O)c1cc(-c2ccsc2)nn1C(F)F ZINC000409443802 343862858 /nfs/dbraw/zinc/86/28/58/343862858.db2.gz UNVNFZJAWGVCOD-UHFFFAOYSA-N 0 0 243.238 2.106 10 0 BEAERN O=Cc1cc(-c2cccs2)nn1CCF ZINC000409443850 343863521 /nfs/dbraw/zinc/86/35/21/343863521.db2.gz VJRXTVOBWQDMTQ-UHFFFAOYSA-N 0 0 224.260 2.394 10 0 BEAERN N=C(NO)[C@H](c1cccs1)n1cccc1 ZINC000409442691 343863701 /nfs/dbraw/zinc/86/37/01/343863701.db2.gz ZGZMCAYZWHBGEN-VIFPVBQESA-N 0 0 221.285 2.095 10 0 BEAERN CC(C)n1nc(-c2cccs2)cc1C(N)=O ZINC000409443044 343865643 /nfs/dbraw/zinc/86/56/43/343865643.db2.gz FZEZHNRXIZUBPR-UHFFFAOYSA-N 0 0 235.312 2.291 10 0 BEAERN CCc1cc(C(F)(F)F)nn1CC(=N)OC ZINC000409443459 343867253 /nfs/dbraw/zinc/86/72/53/343867253.db2.gz NHYHCSWDECFGMZ-UHFFFAOYSA-N 0 0 235.209 2.088 10 0 BEAERN Cc1cn(CC[C@H]2C[C@H]2C2CC2)nc1N ZINC000714767887 537831870 /nfs/dbraw/zinc/83/18/70/537831870.db2.gz AMMANWMGSLDXFY-QWRGUYRKSA-N 0 0 205.305 2.210 10 0 BEAERN NC(=O)c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000409443574 343867734 /nfs/dbraw/zinc/86/77/34/343867734.db2.gz PTZXPGVQYBAJNF-UHFFFAOYSA-N 0 0 247.220 2.116 10 0 BEAERN CC(C)(C)c1ccc2c(c1)OC[C@H](O)CO2 ZINC000409443495 343867813 /nfs/dbraw/zinc/86/78/13/343867813.db2.gz NWYDYCPVLCLBGE-SNVBAGLBSA-N 0 0 222.284 2.116 10 0 BEAERN Cc1nc(N)cc([C@H](C)Oc2ccccc2)n1 ZINC000575622315 343869384 /nfs/dbraw/zinc/86/93/84/343869384.db2.gz QMQDNQIMXIEEAO-VIFPVBQESA-N 0 0 229.283 2.338 10 0 BEAERN Cc1cccc(Cc2cc(N)nc(C)n2)c1 ZINC000575622047 343870669 /nfs/dbraw/zinc/87/06/69/343870669.db2.gz JKLDZIZJRJVTNC-UHFFFAOYSA-N 0 0 213.284 2.097 10 0 BEAERN CC[C@@H](C)c1cc(C(=O)OC)nc(C)n1 ZINC000575622904 343875194 /nfs/dbraw/zinc/87/51/94/343875194.db2.gz YSBRUOLRMPRZKC-SSDOTTSWSA-N 0 0 208.261 2.085 10 0 BEAERN Cc1cc(C)c(-c2cc(N)c(=O)[nH]n2)c(C)c1 ZINC000575622854 343875249 /nfs/dbraw/zinc/87/52/49/343875249.db2.gz WTAWSNNNGLVJOM-UHFFFAOYSA-N 0 0 229.283 2.357 10 0 BEAERN Cc1ccc(C)c(CC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076210073 187279067 /nfs/dbraw/zinc/27/90/67/187279067.db2.gz CIJDFWVGKIEGFU-AAEUAGOBSA-N 0 0 217.312 2.371 10 0 BEAERN C[C@@H](O)C(=O)c1sccc1Br ZINC000235263110 343891454 /nfs/dbraw/zinc/89/14/54/343891454.db2.gz DEUIOVDECBCWCA-SCSAIBSYSA-N 0 0 235.102 2.074 10 0 BEAERN COc1cccc2c(=O)[nH]cc(Cl)c12 ZINC000096836625 343904821 /nfs/dbraw/zinc/90/48/21/343904821.db2.gz KVNRFQJZNAEABG-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN Brc1ccc(COC2COC2)cc1 ZINC000165604938 343937152 /nfs/dbraw/zinc/93/71/52/343937152.db2.gz IXIUYLWZGUAAML-UHFFFAOYSA-N 0 0 243.100 2.365 10 0 BEAERN Oc1ccc(Sc2nncs2)cc1 ZINC000069967763 343945024 /nfs/dbraw/zinc/94/50/24/343945024.db2.gz UAWUCBFHHDIPSN-UHFFFAOYSA-N 0 0 210.283 2.395 10 0 BEAERN CSCC(=O)Nc1c(N)cccc1Cl ZINC000069979807 343945471 /nfs/dbraw/zinc/94/54/71/343945471.db2.gz WCYYUAXEEHXOMY-UHFFFAOYSA-N 0 0 230.720 2.224 10 0 BEAERN CC[C@@H](N)c1nnc([C@@H]2CCCS2)o1 ZINC000070005791 343946257 /nfs/dbraw/zinc/94/62/57/343946257.db2.gz SVBDGIMGSWQQGK-RQJHMYQMSA-N 0 0 213.306 2.048 10 0 BEAERN O=C(Cc1c[nH]c2ccccc12)Nc1cnoc1 ZINC000060393531 343920721 /nfs/dbraw/zinc/92/07/21/343920721.db2.gz FKXDBZBIUDZXQT-UHFFFAOYSA-N 0 0 241.250 2.337 10 0 BEAERN CC(=O)c1ccc(-c2cncnc2)s1 ZINC000022201133 343926311 /nfs/dbraw/zinc/92/63/11/343926311.db2.gz MNQYHQKOLBYUTK-UHFFFAOYSA-N 0 0 204.254 2.408 10 0 BEAERN CCN(c1ccccc1N)C1CCOCC1 ZINC000068955531 343929982 /nfs/dbraw/zinc/92/99/82/343929982.db2.gz QFCYKPNRVRITGN-UHFFFAOYSA-N 0 0 220.316 2.274 10 0 BEAERN CCN(C)c1cc(Cl)nnc1Cl ZINC000127218758 344041952 /nfs/dbraw/zinc/04/19/52/344041952.db2.gz PIYPCUYKJKXXPT-UHFFFAOYSA-N 0 0 206.076 2.240 10 0 BEAERN CC[C@H](c1nccs1)N1CN=NC1=S ZINC000070734299 343954646 /nfs/dbraw/zinc/95/46/46/343954646.db2.gz AASZAVGCRVUBMC-ZCFIWIBFSA-N 0 0 226.330 2.023 10 0 BEAERN CC(=O)Nc1ccc(O)c(-c2ccncc2)c1 ZINC000082295172 187281577 /nfs/dbraw/zinc/28/15/77/187281577.db2.gz QBURSBAMTQCNIS-UHFFFAOYSA-N 0 0 228.251 2.413 10 0 BEAERN Brc1nnc(CC2CC2)s1 ZINC000071051818 343959909 /nfs/dbraw/zinc/95/99/09/343959909.db2.gz YLXFPIWLAWPFIO-UHFFFAOYSA-N 0 0 219.107 2.253 10 0 BEAERN Cc1cncc(-c2nnc(Br)o2)c1 ZINC000157866637 344057361 /nfs/dbraw/zinc/05/73/61/344057361.db2.gz PCRWNHMCLUWHEC-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CNc1cncc(N(C)Cc2ccccc2)n1 ZINC000127239412 344063363 /nfs/dbraw/zinc/06/33/63/344063363.db2.gz MXBZGSPUVOOFPC-UHFFFAOYSA-N 0 0 228.299 2.155 10 0 BEAERN C[C@@H](Nc1cc(C2CC2)ncn1)[C@H]1CCCO1 ZINC000641280846 362343582 /nfs/dbraw/zinc/34/35/82/362343582.db2.gz JRFGYUCVHYLARD-BXKDBHETSA-N 0 0 233.315 2.333 10 0 BEAERN CCCc1nccnc1NCc1cccnc1C ZINC000624597074 344084778 /nfs/dbraw/zinc/08/47/78/344084778.db2.gz ULZCVUIZQBDYIZ-UHFFFAOYSA-N 0 0 242.326 2.167 10 0 BEAERN O[C@H](c1ccncc1F)[C@@H]1CCCS1 ZINC000157423838 344098643 /nfs/dbraw/zinc/09/86/43/344098643.db2.gz LQTBLTHAKWTYRU-VHSXEESVSA-N 0 0 213.277 2.150 10 0 BEAERN COc1ccc2c(c1)CC[C@H](C(N)=S)C2 ZINC000616568500 344164484 /nfs/dbraw/zinc/16/44/84/344164484.db2.gz JHNUOSZIKJXVCQ-JTQLQIEISA-N 0 0 221.325 2.086 10 0 BEAERN Cc1cccc2c1C[C@H](C(N)=S)CC2 ZINC000616568910 344168483 /nfs/dbraw/zinc/16/84/83/344168483.db2.gz NQXGTSLDTGGFLR-SNVBAGLBSA-N 0 0 205.326 2.386 10 0 BEAERN CCc1nn(C)cc1-c1nc(Cl)ns1 ZINC000230113580 344169467 /nfs/dbraw/zinc/16/94/67/344169467.db2.gz LQUBMQZXERIMEP-UHFFFAOYSA-N 0 0 228.708 2.154 10 0 BEAERN CCOc1ccc([C@H](O)CC[C@H]2CO2)cc1 ZINC000616569206 344169538 /nfs/dbraw/zinc/16/95/38/344169538.db2.gz GPEWXSLUOZFYKL-QWHCGFSZSA-N 0 0 222.284 2.298 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000618098135 344173870 /nfs/dbraw/zinc/17/38/70/344173870.db2.gz YOGBCBYOIMTTDA-DDHJBXDOSA-N 0 0 237.343 2.106 10 0 BEAERN COC[C@](C)(O)C1C[C@H](C)C[C@@H](C)C1 ZINC000220233874 344120132 /nfs/dbraw/zinc/12/01/32/344120132.db2.gz BKUZCEIGXDRALE-FOGDFJRCSA-N 0 0 200.322 2.456 10 0 BEAERN CCCCOCCNC(=O)N[C@H](C)C(C)C ZINC000127304283 344128094 /nfs/dbraw/zinc/12/80/94/344128094.db2.gz JWZGUBVUODMAGZ-LLVKDONJSA-N 0 0 230.352 2.147 10 0 BEAERN C[C@@]1(c2nc(Br)ns2)CCCO1 ZINC000230109006 344128545 /nfs/dbraw/zinc/12/85/45/344128545.db2.gz OOIJNFRYEAZTPI-ZETCQYMHSA-N 0 0 249.133 2.326 10 0 BEAERN Cc1ccc(CNc2c(N)c(C)nn2C)s1 ZINC000050226464 178637076 /nfs/dbraw/zinc/63/70/76/178637076.db2.gz VWKMSAFRMFZRNH-UHFFFAOYSA-N 0 0 236.344 2.293 10 0 BEAERN COC(=O)C(C)(C)CCOC(C)(C)C ZINC000585143298 344176872 /nfs/dbraw/zinc/17/68/72/344176872.db2.gz WVWQLLNTYSOXDG-UHFFFAOYSA-N 0 0 202.294 2.391 10 0 BEAERN Cc1ccc(CNc2ccc(N)c3nonc32)o1 ZINC000053035951 178637704 /nfs/dbraw/zinc/63/77/04/178637704.db2.gz YPTBALMOABQGRN-UHFFFAOYSA-N 0 0 244.254 2.319 10 0 BEAERN CCOC(=O)/C=C/c1ccc(F)c(OC)c1 ZINC000156574589 344142457 /nfs/dbraw/zinc/14/24/57/344142457.db2.gz WPFUFUJGWJYMJG-FNORWQNLSA-N 0 0 224.231 2.411 10 0 BEAERN Cc1nc2cc(-c3ccccc3)nn2c(C)n1 ZINC000026505822 344147479 /nfs/dbraw/zinc/14/74/79/344147479.db2.gz KLTGICMLKIWXMJ-UHFFFAOYSA-N 0 0 224.267 2.408 10 0 BEAERN Cc1ccc(C(=O)CC2OCCO2)s1 ZINC000235857288 344148785 /nfs/dbraw/zinc/14/87/85/344148785.db2.gz ATUDAGUVHPAYBS-UHFFFAOYSA-N 0 0 212.270 2.002 10 0 BEAERN CCOC(=O)CC[C@H]1Cc2ccccc2C1=O ZINC000216577899 344150168 /nfs/dbraw/zinc/15/01/68/344150168.db2.gz HUIIWHHIVFGHTO-NSHDSACASA-N 0 0 232.279 2.385 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCC2(C)C ZINC000234594302 344154824 /nfs/dbraw/zinc/15/48/24/344154824.db2.gz WSJBHMDYSNHBJR-ZJUUUORDSA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC(C)(C)C[C@@H]2C ZINC000234599508 344155303 /nfs/dbraw/zinc/15/53/03/344155303.db2.gz RSTCJNSGRSMXSO-SWPVVBRQSA-N 0 0 232.707 2.320 10 0 BEAERN O=C1CC2(CCCC2)C(=O)N1Oc1ccccc1 ZINC000027109043 344220253 /nfs/dbraw/zinc/22/02/53/344220253.db2.gz HEYPGCLCEUJKRF-UHFFFAOYSA-N 0 0 245.278 2.300 10 0 BEAERN CON(C)c1ccc(Br)c(C)n1 ZINC000234730396 344231740 /nfs/dbraw/zinc/23/17/40/344231740.db2.gz DAMAHBGQAPUGCT-UHFFFAOYSA-N 0 0 231.093 2.150 10 0 BEAERN CCOc1cccc([C@@H](O)CC[C@@H]2CO2)c1 ZINC000616572049 344182688 /nfs/dbraw/zinc/18/26/88/344182688.db2.gz TVWONEYDQNRHSI-OLZOCXBDSA-N 0 0 222.284 2.298 10 0 BEAERN COc1cc(NCc2ccco2)ccn1 ZINC000127037291 344187053 /nfs/dbraw/zinc/18/70/53/344187053.db2.gz QKWPUZIDTWFTHK-UHFFFAOYSA-N 0 0 204.229 2.295 10 0 BEAERN C[S@@](=O)c1ccc(Br)s1 ZINC000217645177 344203320 /nfs/dbraw/zinc/20/33/20/344203320.db2.gz AZBQFUOAHRPIAT-SECBINFHSA-N 0 0 225.132 2.248 10 0 BEAERN COC1CC(Nc2nc(Cl)ncc2Cl)C1 ZINC000234779148 344253460 /nfs/dbraw/zinc/25/34/60/344253460.db2.gz NNTCKAYNJVZZPV-UHFFFAOYSA-N 0 0 248.113 2.373 10 0 BEAERN CO[C@H]1CC[C@@H](Nc2cnnc(Cl)c2)C1 ZINC000234793811 344265746 /nfs/dbraw/zinc/26/57/46/344265746.db2.gz KPIWMOCXVZNOAK-APPZFPTMSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2[C@@H](C)C2(F)F)o1 ZINC000408231489 344267838 /nfs/dbraw/zinc/26/78/38/344267838.db2.gz IGJCRZUPWHSKPF-CSMHCCOUSA-N 0 0 244.241 2.061 10 0 BEAERN Brc1nc(-c2ccncc2)ns1 ZINC000166013060 344275139 /nfs/dbraw/zinc/27/51/39/344275139.db2.gz FXQUTHGVVCONNJ-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@@H](C)O1 ZINC000072615548 344277141 /nfs/dbraw/zinc/27/71/41/344277141.db2.gz NETPERZDYIHWRL-GHMZBOCLSA-N 0 0 225.332 2.203 10 0 BEAERN C=Cc1nc(-c2ncccc2Cl)no1 ZINC000236040783 344287062 /nfs/dbraw/zinc/28/70/62/344287062.db2.gz CWYFMNXXWHXUTE-UHFFFAOYSA-N 0 0 207.620 2.428 10 0 BEAERN O=c1[nH]nc(-c2ccc(Cl)s2)s1 ZINC000236042480 344287689 /nfs/dbraw/zinc/28/76/89/344287689.db2.gz GISPXQIQHPVZJA-UHFFFAOYSA-N 0 0 218.690 2.213 10 0 BEAERN COc1cccc2c1CCC(=O)C2(C)C ZINC000218862244 344244029 /nfs/dbraw/zinc/24/40/29/344244029.db2.gz VDGWMKBFTCXGMK-UHFFFAOYSA-N 0 0 204.269 2.488 10 0 BEAERN CCOC(=O)/C=C\c1ccc(OC)cc1OC ZINC000145572201 344319720 /nfs/dbraw/zinc/31/97/20/344319720.db2.gz FKXUHAPNEJNLCB-VURMDHGXSA-N 0 0 236.267 2.280 10 0 BEAERN CC(=O)Oc1cccc2cc(C)cnc21 ZINC000135896247 344322698 /nfs/dbraw/zinc/32/26/98/344322698.db2.gz UFEDBSXWGPWPLE-UHFFFAOYSA-N 0 0 201.225 2.469 10 0 BEAERN Cc1cc(N[C@H]2CCc3cc(N)ccc32)ncn1 ZINC000094092753 344326105 /nfs/dbraw/zinc/32/61/05/344326105.db2.gz GHHRVFUZBCFMFG-ZDUSSCGKSA-N 0 0 240.310 2.467 10 0 BEAERN C=CC(=O)O[C@H]1C=C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000100439931 187290423 /nfs/dbraw/zinc/29/04/23/187290423.db2.gz ISRJTGUYHVPAOR-OOTJXSFTSA-N 0 0 204.269 2.316 10 0 BEAERN Nc1cc(-c2ccoc2Br)[nH]n1 ZINC000236358152 344356848 /nfs/dbraw/zinc/35/68/48/344356848.db2.gz UGANBYCASWTHBX-UHFFFAOYSA-N 0 0 228.049 2.014 10 0 BEAERN O=c1[nH]ccc2occ(-c3ccncc3)c21 ZINC000219836540 344300039 /nfs/dbraw/zinc/30/00/39/344300039.db2.gz GIOCWZBJEAKPRV-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN OC[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000220020130 344308333 /nfs/dbraw/zinc/30/83/33/344308333.db2.gz MVEWLYDPMZMSPY-SECBINFHSA-N 0 0 220.190 2.299 10 0 BEAERN CNc1ccc(OCC(F)(F)F)nc1 ZINC000062796738 347049040 /nfs/dbraw/zinc/04/90/40/347049040.db2.gz LWSDHYGQDVTGTQ-UHFFFAOYSA-N 0 0 206.167 2.064 10 0 BEAERN O=Cc1cccc(N2CCCCC2=O)c1 ZINC000236416370 344373455 /nfs/dbraw/zinc/37/34/55/344373455.db2.gz ISGLIRFZIDJRCU-UHFFFAOYSA-N 0 0 203.241 2.016 10 0 BEAERN C=CC(=O)O[C@@H]1C=C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000100439935 187290754 /nfs/dbraw/zinc/29/07/54/187290754.db2.gz ISRJTGUYHVPAOR-VFZGUZRASA-N 0 0 204.269 2.316 10 0 BEAERN OCc1sc(Sc2ncc[nH]2)nc1Cl ZINC000236516836 344394430 /nfs/dbraw/zinc/39/44/30/344394430.db2.gz PCAQEGDRNOLGFS-UHFFFAOYSA-N 0 0 247.732 2.163 10 0 BEAERN O[C@H](c1ccc(Cl)cc1)[C@H](O)C1CC1 ZINC000236527700 344395933 /nfs/dbraw/zinc/39/59/33/344395933.db2.gz VNWGQNNOPULWJC-GHMZBOCLSA-N 0 0 212.676 2.144 10 0 BEAERN CC(=O)n1ncc2cc3c(cc21)CCCC(=O)C3 ZINC000217863567 344403876 /nfs/dbraw/zinc/40/38/76/344403876.db2.gz GQXHPOKMRJWOCZ-UHFFFAOYSA-N 0 0 242.278 2.144 10 0 BEAERN Fc1ccc(OC[C@@H]2CO2)cc1Cl ZINC000036459606 344404563 /nfs/dbraw/zinc/40/45/63/344404563.db2.gz PHEDKFOYOQFXLN-SSDOTTSWSA-N 0 0 202.612 2.257 10 0 BEAERN CC(C)Nc1cc(Br)ncc1N ZINC000222000732 344413757 /nfs/dbraw/zinc/41/37/57/344413757.db2.gz MRGMJGRFDPCVQG-UHFFFAOYSA-N 0 0 230.109 2.247 10 0 BEAERN CN(C)[C@@]1(C)CCc2ccccc2C1=O ZINC000028766945 344414610 /nfs/dbraw/zinc/41/46/10/344414610.db2.gz LZTUZUPGTKMCSN-ZDUSSCGKSA-N 0 0 203.285 2.136 10 0 BEAERN CN(C)[C@]1(C)CCc2ccccc2C1=O ZINC000028766947 344414675 /nfs/dbraw/zinc/41/46/75/344414675.db2.gz LZTUZUPGTKMCSN-CYBMUJFWSA-N 0 0 203.285 2.136 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)COC ZINC000103355879 344445468 /nfs/dbraw/zinc/44/54/68/344445468.db2.gz UPNDNQJDTQVHNM-WDEREUQCSA-N 0 0 213.321 2.060 10 0 BEAERN Cc1ccc(Cn2ncc(Cl)c2N)o1 ZINC000043665266 178667590 /nfs/dbraw/zinc/66/75/90/178667590.db2.gz NAGWTTIIBGURFC-UHFFFAOYSA-N 0 0 211.652 2.068 10 0 BEAERN Fc1ccc2oc(Cn3ccnc3)nc2c1 ZINC000132582499 344483532 /nfs/dbraw/zinc/48/35/32/344483532.db2.gz VHNUFDNPJSUCHR-UHFFFAOYSA-N 0 0 217.203 2.212 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CNc1ccccc1Cl ZINC000072094696 344492366 /nfs/dbraw/zinc/49/23/66/344492366.db2.gz LADSJYWEWLGSEP-KCJUWKMLSA-N 0 0 238.718 2.277 10 0 BEAERN CC(C)c1nc(=N[C@H](C)CCCC[NH3+])s[n-]1 ZINC000381297584 344493362 /nfs/dbraw/zinc/49/33/62/344493362.db2.gz AAVITAQBCMZNKM-SECBINFHSA-N 0 0 242.392 2.013 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)c1ncc(F)cn1 ZINC000214731020 344572684 /nfs/dbraw/zinc/57/26/84/344572684.db2.gz HNXHBDFOMABPAW-SSDOTTSWSA-N 0 0 241.266 2.201 10 0 BEAERN O=[N+]([O-])c1sccc1N[C@@H]1CCC[C@H](O)C1 ZINC000381623280 344527367 /nfs/dbraw/zinc/52/73/67/344527367.db2.gz FXTAIROVXMLBOC-SFYZADRCSA-N 0 0 242.300 2.372 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127669886 344594495 /nfs/dbraw/zinc/59/44/95/344594495.db2.gz HCRYOTRSVIMTMT-PWSUYJOCSA-N 0 0 213.321 2.360 10 0 BEAERN N#CCc1ccc(C(F)(F)F)c(N)c1F ZINC000396081777 344597690 /nfs/dbraw/zinc/59/76/90/344597690.db2.gz BKOLEPPHEOSDMN-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN CCOC(=O)Cc1c(N)cccc1Cl ZINC000220795398 344583261 /nfs/dbraw/zinc/58/32/61/344583261.db2.gz OMLGSZNOTIUCJG-UHFFFAOYSA-N 0 0 213.664 2.028 10 0 BEAERN N#CCc1c(N)ccc(F)c1C(F)(F)F ZINC000396044040 344585076 /nfs/dbraw/zinc/58/50/76/344585076.db2.gz XFSRSNVLVSYKTH-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN CCc1cc(C)c(C#N)cc1CC(=O)OC ZINC000396144860 344618260 /nfs/dbraw/zinc/61/82/60/344618260.db2.gz FKLKRSWBSLTWGS-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN Nc1cc([N+](=O)[O-])c(C(F)(F)F)cc1F ZINC000396122691 344609020 /nfs/dbraw/zinc/60/90/20/344609020.db2.gz XONGZXDRAOFYNV-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CN(C)c1ccc(O)cc1OC(F)(F)F ZINC000396128127 344610201 /nfs/dbraw/zinc/61/02/01/344610201.db2.gz TVMYPKKGYACQSX-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN Cc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)on1 ZINC000158350244 344611296 /nfs/dbraw/zinc/61/12/96/344611296.db2.gz NCNOCZGJQUSENC-VHSXEESVSA-N 0 0 236.315 2.491 10 0 BEAERN COc1cccc(N2CCOCC2)c1Cl ZINC000396131956 344612095 /nfs/dbraw/zinc/61/20/95/344612095.db2.gz GYYOUHNGUNBDHU-UHFFFAOYSA-N 0 0 227.691 2.185 10 0 BEAERN CCOC(=O)c1cc(OC)cc(Cl)c1C#N ZINC000396145178 344618396 /nfs/dbraw/zinc/61/83/96/344618396.db2.gz GRDWJNFMKKAVRK-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1c(C#N)cc(O)cc1CC ZINC000396134358 344612540 /nfs/dbraw/zinc/61/25/40/344612540.db2.gz CUTSOFYNSVMGAQ-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(CC)cc(O)c1C#N ZINC000396137674 344614169 /nfs/dbraw/zinc/61/41/69/344614169.db2.gz PBUQUMVUVAKQOU-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(C)c1C#N ZINC000396138833 344614766 /nfs/dbraw/zinc/61/47/66/344614766.db2.gz SNKPBWPODXBCNC-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN COC(=O)Cc1c(C)ccc(C#N)c1Cl ZINC000396140684 344615651 /nfs/dbraw/zinc/61/56/51/344615651.db2.gz BFBWSSFQNDNLBS-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN N#Cc1cc(N)cc(OC(F)(F)F)c1F ZINC000396141536 344615888 /nfs/dbraw/zinc/61/58/88/344615888.db2.gz FBGAZQJNQNDLMV-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN OCCC[C@H]1CCCN1c1cc(C2CC2)ncn1 ZINC000641500549 362463352 /nfs/dbraw/zinc/46/33/52/362463352.db2.gz JAMBUFWWWUWSIB-GFCCVEGCSA-N 0 0 247.342 2.095 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(C)c1C#N ZINC000396142406 344616454 /nfs/dbraw/zinc/61/64/54/344616454.db2.gz IKESFQXNEGVHNY-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(Cl)c1OC ZINC000396143237 344616660 /nfs/dbraw/zinc/61/66/60/344616660.db2.gz ANCUDXMNKTUIDA-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN OCc1ccc(OC(F)F)nc1C(F)(F)F ZINC000396092775 344599752 /nfs/dbraw/zinc/59/97/52/344599752.db2.gz FTXZHBRYRINEDB-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1ccnc(OC(F)F)c1C(F)(F)F ZINC000396101967 344602763 /nfs/dbraw/zinc/60/27/63/344602763.db2.gz VLEOZIXKZHHDLO-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN N#Cc1cccc(C=O)c1OC(F)(F)F ZINC000396102899 344602909 /nfs/dbraw/zinc/60/29/09/344602909.db2.gz QZIYZGALMVBNGN-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN N#CCc1c(F)c(N)ccc1C(F)(F)F ZINC000396106722 344603296 /nfs/dbraw/zinc/60/32/96/344603296.db2.gz VTFLEXAGDRLCPJ-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN N#CCc1cc(F)cc(N)c1C(F)(F)F ZINC000396106735 344603326 /nfs/dbraw/zinc/60/33/26/344603326.db2.gz VUUPTAQYRCTRPW-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN N#CCc1cc(N)c(F)c(C(F)(F)F)c1 ZINC000396104776 344603407 /nfs/dbraw/zinc/60/34/07/344603407.db2.gz SMSXVHJJXPBXSS-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN CN(C)c1cc(OC(F)(F)F)ccc1C=O ZINC000396111911 344605352 /nfs/dbraw/zinc/60/53/52/344605352.db2.gz AAKAVHNTEXRUDR-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1F ZINC000396114184 344605769 /nfs/dbraw/zinc/60/57/69/344605769.db2.gz FGDWJWBZMBCATI-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN Nc1cc(F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396113405 344605942 /nfs/dbraw/zinc/60/59/42/344605942.db2.gz CURDKJAGCSGMLE-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000396114745 344606349 /nfs/dbraw/zinc/60/63/49/344606349.db2.gz QHAKWTYPSBFQFV-UHFFFAOYSA-N 0 0 232.117 2.365 10 0 BEAERN Nc1c(C(F)(F)F)ccc(F)c1[N+](=O)[O-] ZINC000396114358 344606392 /nfs/dbraw/zinc/60/63/92/344606392.db2.gz FZIQOQHBOZBNBW-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CN(C)c1c(CO)cccc1OC(F)(F)F ZINC000396118082 344607569 /nfs/dbraw/zinc/60/75/69/344607569.db2.gz GSAJNCVMIUTXRW-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN COC(=O)c1ccc(C(F)(F)F)c(F)n1 ZINC000396118172 344607596 /nfs/dbraw/zinc/60/75/96/344607596.db2.gz YRVSDMARSHQSAG-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCc1cn2nc(Br)sc2n1 ZINC000050182068 344653951 /nfs/dbraw/zinc/65/39/51/344653951.db2.gz XDCQFCSZYHFFSV-UHFFFAOYSA-N 0 0 232.106 2.116 10 0 BEAERN Cc1ccc(N(C)C[C@@]2(CO)CCCOC2)cc1 ZINC000104311968 178698727 /nfs/dbraw/zinc/69/87/27/178698727.db2.gz OUSPVNAJWBPQTH-OAHLLOKOSA-N 0 0 249.354 2.220 10 0 BEAERN COCCOc1cnc2ccc(C=O)cc2c1 ZINC000113275771 344658534 /nfs/dbraw/zinc/65/85/34/344658534.db2.gz YZASLERREKEHNF-UHFFFAOYSA-N 0 0 231.251 2.073 10 0 BEAERN COCc1ccccc1CNc1cccnn1 ZINC000052830884 344669503 /nfs/dbraw/zinc/66/95/03/344669503.db2.gz CEIZFAXEYNWUMJ-UHFFFAOYSA-N 0 0 229.283 2.235 10 0 BEAERN COc1cc(C)c(O)cc1Br ZINC000215480212 344677049 /nfs/dbraw/zinc/67/70/49/344677049.db2.gz HSVSSQZFFVVJOP-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(O)c1CC ZINC000396145872 344619092 /nfs/dbraw/zinc/61/90/92/344619092.db2.gz UWCISXYOLNHJKJ-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(CC)cc(F)c1C#N ZINC000396146789 344620555 /nfs/dbraw/zinc/62/05/55/344620555.db2.gz XIHPRXNFWMBQCQ-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1ccc(CC)c(F)c1C#N ZINC000396147849 344621509 /nfs/dbraw/zinc/62/15/09/344621509.db2.gz YRHDILRNUQKZHE-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(F)c(C#N)c1 ZINC000396153337 344625734 /nfs/dbraw/zinc/62/57/34/344625734.db2.gz SKWQIIUDFZKMGX-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCc1cc(C(=O)OC)c(CC)cc1C#N ZINC000396154695 344626525 /nfs/dbraw/zinc/62/65/25/344626525.db2.gz PLTURVPRABZTBX-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCc1ccc(F)c(C#N)c1C(=O)OC ZINC000396155232 344626805 /nfs/dbraw/zinc/62/68/05/344626805.db2.gz GPAAATLQUZUIGH-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C=O)cc1C#N ZINC000396156008 344627502 /nfs/dbraw/zinc/62/75/02/344627502.db2.gz HQEIGHHJCIGSOF-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)Cc1c(F)c(Cl)ccc1C#N ZINC000396157175 344628444 /nfs/dbraw/zinc/62/84/44/344628444.db2.gz YHUDJNBVWDTLTF-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C#N)c(C=O)c1 ZINC000396168624 344630516 /nfs/dbraw/zinc/63/05/16/344630516.db2.gz XIHKJORLFGJOST-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1cc(C)c(C#N)c(C(=O)OC)c1 ZINC000396169332 344630821 /nfs/dbraw/zinc/63/08/21/344630821.db2.gz YSSKBLFTVAZRLI-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCc1ccc(CC(=O)OC)c(C#N)c1Cl ZINC000396169401 344630839 /nfs/dbraw/zinc/63/08/39/344630839.db2.gz YWRSCIDNIBDFOW-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)Cc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000396158466 344632076 /nfs/dbraw/zinc/63/20/76/344632076.db2.gz KDJHIPJNXDBVGQ-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(OC)c1C ZINC000396161966 344634184 /nfs/dbraw/zinc/63/41/84/344634184.db2.gz ZMWFYNNVPCQJTB-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1ccc(C#N)c(Cl)c1CC(=O)OC ZINC000396164957 344635380 /nfs/dbraw/zinc/63/53/80/344635380.db2.gz RVOJEHZGMRRAGK-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1cc(F)c(CC)c(C#N)c1 ZINC000396164243 344635519 /nfs/dbraw/zinc/63/55/19/344635519.db2.gz RGJLOJLOCPRBAE-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN COC(=O)c1ccc(F)c(C#N)c1C(F)F ZINC000396165279 344635893 /nfs/dbraw/zinc/63/58/93/344635893.db2.gz STMKCFATXIMTRI-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(F)c1C#N ZINC000396166581 344636344 /nfs/dbraw/zinc/63/63/44/344636344.db2.gz XBSDKTAXIUGLJO-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCc1ccc(C)c(C#N)c1C(=O)OC ZINC000396167077 344636394 /nfs/dbraw/zinc/63/63/94/344636394.db2.gz VTJQKHUFUFYEJM-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(F)c1C#N ZINC000396166509 344636458 /nfs/dbraw/zinc/63/64/58/344636458.db2.gz WXAWCZFKEUMCII-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(C)c1C#N ZINC000396167866 344636882 /nfs/dbraw/zinc/63/68/82/344636882.db2.gz ZEHZPWUXVGALRJ-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)c1cnc(Cl)c(OC(F)F)c1 ZINC000396167597 344636897 /nfs/dbraw/zinc/63/68/97/344636897.db2.gz QFXFSWFVYLREOP-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C#N)cc1C=O ZINC000396168032 344637473 /nfs/dbraw/zinc/63/74/73/344637473.db2.gz XDNBPVMBRNZBCF-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCC1CCC(O)CC1 ZINC000227615172 344639234 /nfs/dbraw/zinc/63/92/34/344639234.db2.gz CYRSLZCVGHQQOL-YWPUVAFDSA-N 0 0 239.359 2.090 10 0 BEAERN COc1ccc2c(ccn2CC(C)=O)c1 ZINC000050129887 344645082 /nfs/dbraw/zinc/64/50/82/344645082.db2.gz WYHXPPFTGPATOY-UHFFFAOYSA-N 0 0 203.241 2.239 10 0 BEAERN CC(=O)[C@H](C)N1CCc2sccc2C1 ZINC000050132305 344646768 /nfs/dbraw/zinc/64/67/68/344646768.db2.gz NRPPDKGSUDJSSX-QMMMGPOBSA-N 0 0 209.314 2.084 10 0 BEAERN Cc1ccc(N)cc1N1CCCO[C@@H](C)C1 ZINC000061916827 178707918 /nfs/dbraw/zinc/70/79/18/178707918.db2.gz UXRWIWXHLLUASN-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN Cc1csc(N[C@H](C)[C@H]2CCOC2)n1 ZINC000158689173 344720010 /nfs/dbraw/zinc/72/00/10/344720010.db2.gz TWFMZZBTJKXVGF-BDAKNGLRSA-N 0 0 212.318 2.288 10 0 BEAERN Cc1ccccc1C(=O)c1csnn1 ZINC000158682528 344721595 /nfs/dbraw/zinc/72/15/95/344721595.db2.gz JABVUNWQKJDSRJ-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CCCC(=O)COc1ccc(OC)cc1 ZINC000050185310 344729939 /nfs/dbraw/zinc/72/99/39/344729939.db2.gz LOJICOHCDVHCTA-UHFFFAOYSA-N 0 0 208.257 2.443 10 0 BEAERN Cc1nc(C[C@@H](O)C(F)(F)Cl)cs1 ZINC000158715108 344730498 /nfs/dbraw/zinc/73/04/98/344730498.db2.gz BUPROFMWERYNSY-ZCFIWIBFSA-N 0 0 227.663 2.187 10 0 BEAERN Cc1ccc(C)c(C[C@@H](O)C(F)F)c1 ZINC000158729607 344734090 /nfs/dbraw/zinc/73/40/90/344734090.db2.gz CKFWJNOTODISAY-SNVBAGLBSA-N 0 0 200.228 2.472 10 0 BEAERN CCc1nnc(Cl)n1[C@@H](C)[C@@H]1CCOC1 ZINC000158753245 344740159 /nfs/dbraw/zinc/74/01/59/344740159.db2.gz DRGZEIYZYMNBKY-JGVFFNPUSA-N 0 0 229.711 2.091 10 0 BEAERN Cc1cncc(-c2nc(Br)no2)c1 ZINC000158578119 344682855 /nfs/dbraw/zinc/68/28/55/344682855.db2.gz VAZLLQXPKYMQNJ-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN C[C@@H](Nc1cccc(Cl)n1)c1nc[nH]n1 ZINC000230430213 344683529 /nfs/dbraw/zinc/68/35/29/344683529.db2.gz LEUKSQWWYDECPY-ZCFIWIBFSA-N 0 0 223.667 2.026 10 0 BEAERN C[C@H](Nc1ccc(Cl)cn1)c1nc[nH]n1 ZINC000230430712 344683586 /nfs/dbraw/zinc/68/35/86/344683586.db2.gz LIOAJCUHWAJWKG-LURJTMIESA-N 0 0 223.667 2.026 10 0 BEAERN CCNC(=S)N1C[C@@H](C)CC[C@@H]1C ZINC000127940844 344685789 /nfs/dbraw/zinc/68/57/89/344685789.db2.gz SCLNIHMYUCQNBZ-IUCAKERBSA-N 0 0 200.351 2.001 10 0 BEAERN COc1c(Cl)ccc(C=O)c1OC ZINC000211757944 344686932 /nfs/dbraw/zinc/68/69/32/344686932.db2.gz IBZWQIRJQGQLQO-UHFFFAOYSA-N 0 0 200.621 2.170 10 0 BEAERN O=Cc1cc(-c2ccc(F)cc2F)[nH]n1 ZINC000050478848 344695943 /nfs/dbraw/zinc/69/59/43/344695943.db2.gz RBHPWXZNOBYMOH-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN O[C@@H](c1csnn1)c1ccccc1Cl ZINC000158635250 344704284 /nfs/dbraw/zinc/70/42/84/344704284.db2.gz OPACSRYBHLDYQS-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN O=Cc1ccc(N2CCCSCC2)o1 ZINC000050544211 344707950 /nfs/dbraw/zinc/70/79/50/344707950.db2.gz QGTVPHGUKYNOED-UHFFFAOYSA-N 0 0 211.286 2.035 10 0 BEAERN C[C@@H](C(=O)n1ccnc1)c1ccccc1 ZINC000115688131 344714074 /nfs/dbraw/zinc/71/40/74/344714074.db2.gz DJUPXBAUERTRNO-SNVBAGLBSA-N 0 0 200.241 2.327 10 0 BEAERN CSc1ccc(-c2noc(C=O)n2)cc1 ZINC000235064708 344760322 /nfs/dbraw/zinc/76/03/22/344760322.db2.gz GBCBMTKZBSYZOF-UHFFFAOYSA-N 0 0 220.253 2.271 10 0 BEAERN Cc1c(CO)nnn1-c1cccc(C(C)C)c1 ZINC000045892269 192075795 /nfs/dbraw/zinc/07/57/95/192075795.db2.gz STWYSXQEKREMMA-UHFFFAOYSA-N 0 0 231.299 2.191 10 0 BEAERN CSc1c(N)nsc1N[C@H]1CCSC1 ZINC000235081550 344774467 /nfs/dbraw/zinc/77/44/67/344774467.db2.gz IHLHWZWPBGZQSZ-YFKPBYRVSA-N 0 0 247.414 2.365 10 0 BEAERN C[C@H]1C[C@H]1Nc1ncc(C#N)cc1Cl ZINC000075721399 344778037 /nfs/dbraw/zinc/77/80/37/344778037.db2.gz KPZWNZBYPJMAID-IMTBSYHQSA-N 0 0 207.664 2.427 10 0 BEAERN CSCCNc1nc(F)c(F)cc1F ZINC000235058389 344754610 /nfs/dbraw/zinc/75/46/10/344754610.db2.gz AKXNUNWLGUYUSK-UHFFFAOYSA-N 0 0 222.235 2.274 10 0 BEAERN C[C@H]1CCC[C@@]1(CC(=O)OC(C)(C)C)ON ZINC000675052674 537859695 /nfs/dbraw/zinc/85/96/95/537859695.db2.gz CLAYASCEMNOPJN-CABZTGNLSA-N 0 0 229.320 2.167 10 0 BEAERN C[C@@H](C1CCOCC1)n1cccc1C=O ZINC000235103509 344788484 /nfs/dbraw/zinc/78/84/84/344788484.db2.gz QVTPGHYPYXMIMJ-JTQLQIEISA-N 0 0 207.273 2.288 10 0 BEAERN Cc1ccc(NC(=O)CC[C@H](C)O)cc1C ZINC000049818399 178724159 /nfs/dbraw/zinc/72/41/59/178724159.db2.gz ANEOKZIZEBLKFW-NSHDSACASA-N 0 0 221.300 2.403 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N)cc1F ZINC000043473500 187293176 /nfs/dbraw/zinc/29/31/76/187293176.db2.gz OLAHGURCKJNYBE-SVRRBLITSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)NC1CCC(C)CC1 ZINC000075982373 344789942 /nfs/dbraw/zinc/78/99/42/344789942.db2.gz BVFIWPUXGAJIFW-VGRIYTJTSA-N 0 0 210.321 2.273 10 0 BEAERN CS[C@@H]1CC[C@@H](n2cnnc2Cl)C1 ZINC000235120596 344804446 /nfs/dbraw/zinc/80/44/46/344804446.db2.gz DXBMPFUEHUYHIM-RNFRBKRXSA-N 0 0 217.725 2.388 10 0 BEAERN CCc1nc(CNCc2cccn2C)cs1 ZINC000119146977 344840519 /nfs/dbraw/zinc/84/05/19/344840519.db2.gz OIGRZHUONYJMTE-UHFFFAOYSA-N 0 0 235.356 2.334 10 0 BEAERN Cc1cccc([C@@H](c2nn[nH]n2)C(C)C)c1 ZINC000408494493 344840568 /nfs/dbraw/zinc/84/05/68/344840568.db2.gz XWVYEZCFRXZJAP-NSHDSACASA-N 0 0 216.288 2.296 10 0 BEAERN Cc1cccc([C@H](c2nn[nH]n2)C(C)C)c1 ZINC000408494491 344840688 /nfs/dbraw/zinc/84/06/88/344840688.db2.gz XWVYEZCFRXZJAP-LLVKDONJSA-N 0 0 216.288 2.296 10 0 BEAERN Cc1nc(CN2CCO[C@@H]3CCCC[C@@H]32)[nH]c1C ZINC000628146041 344825037 /nfs/dbraw/zinc/82/50/37/344825037.db2.gz CIQJIEHKWDRHMB-QWHCGFSZSA-N 0 0 249.358 2.170 10 0 BEAERN CC(C)COc1cncc(NCC(F)F)n1 ZINC000153319279 344851270 /nfs/dbraw/zinc/85/12/70/344851270.db2.gz SBPFXICSTVXXBW-UHFFFAOYSA-N 0 0 231.246 2.188 10 0 BEAERN C[C@@H]1Cn2cncc2CN1C(=O)OC(C)(C)C ZINC000307500101 344852026 /nfs/dbraw/zinc/85/20/26/344852026.db2.gz HPDUVDQMLLEWDH-SECBINFHSA-N 0 0 237.303 2.022 10 0 BEAERN CCc1ccc(Cn2nc(N)cc2C)s1 ZINC000300902706 537869153 /nfs/dbraw/zinc/86/91/53/537869153.db2.gz QJCMNLVFODLTFK-UHFFFAOYSA-N 0 0 221.329 2.446 10 0 BEAERN C[C@@]1(c2csc(Cl)c2)CNC(=O)C1 ZINC000235434177 344910530 /nfs/dbraw/zinc/91/05/30/344910530.db2.gz HTPFQQRXKJBWGJ-VIFPVBQESA-N 0 0 215.705 2.179 10 0 BEAERN C[C@@H]1OCC[C@@H]1S[C@@H]1CCC(=O)C1 ZINC000235327967 344885307 /nfs/dbraw/zinc/88/53/07/344885307.db2.gz MVUJODDSPXVLEJ-SFGNSQDASA-N 0 0 200.303 2.019 10 0 BEAERN Cc1ccc(N[C@@H]2CCC[C@H]2O)cc1F ZINC000037689936 178773323 /nfs/dbraw/zinc/77/33/23/178773323.db2.gz RWTNYDXOXCUQID-VXGBXAGGSA-N 0 0 209.264 2.459 10 0 BEAERN COCCCn1ccc2c1cccc2N ZINC000070569126 537871279 /nfs/dbraw/zinc/87/12/79/537871279.db2.gz CILSRAMIBXMIDX-UHFFFAOYSA-N 0 0 204.273 2.260 10 0 BEAERN COCCn1ccc2c1cccc2OC ZINC000166424929 344894875 /nfs/dbraw/zinc/89/48/75/344894875.db2.gz CBEWVVDQJYCFAW-UHFFFAOYSA-N 0 0 205.257 2.296 10 0 BEAERN O[C@@H]1CCCCC[C@H]1OCC(F)(F)F ZINC000044192401 344898962 /nfs/dbraw/zinc/89/89/62/344898962.db2.gz LBHMYOCBSDQNSW-HTQZYQBOSA-N 0 0 212.211 2.259 10 0 BEAERN CC(C)(C)[C@H](N)C(=O)OC1CCCCC1 ZINC000048632162 187294069 /nfs/dbraw/zinc/29/40/69/187294069.db2.gz SAEOKCUUQKBHHC-SNVBAGLBSA-N 0 0 213.321 2.236 10 0 BEAERN Cc1c[nH]c(=S)n1[C@H]1CCO[C@H](C)C1 ZINC000235400180 344902021 /nfs/dbraw/zinc/90/20/21/344902021.db2.gz QJLQZXAINMVEBR-BDAKNGLRSA-N 0 0 212.318 2.220 10 0 BEAERN C[C@@]1(Nc2nsnc2Cl)CCCOC1 ZINC000235405176 344903666 /nfs/dbraw/zinc/90/36/66/344903666.db2.gz CDAFAMNWAAATBC-MRVPVSSYSA-N 0 0 233.724 2.173 10 0 BEAERN CCNc1ccnc(-c2ccc(C)o2)n1 ZINC000050865612 187295707 /nfs/dbraw/zinc/29/57/07/187295707.db2.gz SLZNDHMAIIVAKT-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN COCCCCC(=O)N(C)Cc1ccc(C)o1 ZINC000122147895 187295806 /nfs/dbraw/zinc/29/58/06/187295806.db2.gz NLCUCSFHSVFIPG-UHFFFAOYSA-N 0 0 239.315 2.363 10 0 BEAERN Cc1ccc(N[C@H]2CCCC[C@H]2O)nc1 ZINC000052007255 178777993 /nfs/dbraw/zinc/77/79/93/178777993.db2.gz JFANIYNLLVTHTK-WDEREUQCSA-N 0 0 206.289 2.105 10 0 BEAERN Cc1cc2c(=O)cn[nH]c2cc1Br ZINC000667366228 537875593 /nfs/dbraw/zinc/87/55/93/537875593.db2.gz QXKHQMJJTNXQFL-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN COC(=O)c1c[nH]cc1C(=O)CC(C)C ZINC000033820128 344954656 /nfs/dbraw/zinc/95/46/56/344954656.db2.gz AHKTUIIUFNZBMA-UHFFFAOYSA-N 0 0 209.245 2.030 10 0 BEAERN C[C@H]1CCN(c2nc(Cl)nc(Cl)n2)C1 ZINC000061518470 344955407 /nfs/dbraw/zinc/95/54/07/344955407.db2.gz IGRRBUVEQMFTSU-YFKPBYRVSA-N 0 0 233.102 2.025 10 0 BEAERN C[C@H]1C[C@H]1CNc1ncc(N)cc1Cl ZINC000235622875 344958954 /nfs/dbraw/zinc/95/89/54/344958954.db2.gz LMRMQJNOCIXESG-BQBZGAKWSA-N 0 0 211.696 2.385 10 0 BEAERN C[C@H]1OCC[C@@H]1Sc1ccnc(F)c1 ZINC000235661656 344977110 /nfs/dbraw/zinc/97/71/10/344977110.db2.gz JEGZBLXLCQJMGJ-APPZFPTMSA-N 0 0 213.277 2.490 10 0 BEAERN COc1cc(F)cc2c(Br)[nH]nc21 ZINC000166610066 344940002 /nfs/dbraw/zinc/94/00/02/344940002.db2.gz YEEAELDEWOPTJY-UHFFFAOYSA-N 0 0 245.051 2.473 10 0 BEAERN Clc1ccncc1N[C@@H]1CCCOC1 ZINC000166619133 344943740 /nfs/dbraw/zinc/94/37/40/344943740.db2.gz UBWAFHOVMYTDJF-MRVPVSSYSA-N 0 0 212.680 2.326 10 0 BEAERN CNC(=S)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000135955546 344947643 /nfs/dbraw/zinc/94/76/43/344947643.db2.gz APNSIFNKLFXEAO-BDAKNGLRSA-N 0 0 200.351 2.001 10 0 BEAERN Brc1ccc(Cc2nnco2)cc1 ZINC000238002042 344949625 /nfs/dbraw/zinc/94/96/25/344949625.db2.gz QUUKNKHOBYXVBQ-UHFFFAOYSA-N 0 0 239.072 2.423 10 0 BEAERN CCOC(=O)c1cccc2c1OC(F)(F)O2 ZINC000044200458 344982311 /nfs/dbraw/zinc/98/23/11/344982311.db2.gz BLKSMRWBNCCUCQ-UHFFFAOYSA-N 0 0 230.166 2.185 10 0 BEAERN C[C@H]1CCCN(C2N=NC(=S)S2)C1 ZINC000044241588 344992168 /nfs/dbraw/zinc/99/21/68/344992168.db2.gz YSPYZOHMBJPWPS-LURJTMIESA-N 0 0 215.347 2.063 10 0 BEAERN CCc1ncc(I)s1 ZINC000238284386 345012202 /nfs/dbraw/zinc/01/22/02/345012202.db2.gz ZLCOEQDRBVFKPG-UHFFFAOYSA-N 0 0 239.081 2.310 10 0 BEAERN Cc1c(Br)ccc2c1CCOC2=O ZINC000146260128 187298904 /nfs/dbraw/zinc/29/89/04/187298904.db2.gz RQPITGJSXPDYGY-UHFFFAOYSA-N 0 0 241.084 2.470 10 0 BEAERN O=C1C[C@H](c2cc(Br)cs2)N1 ZINC000044256552 344995753 /nfs/dbraw/zinc/99/57/53/344995753.db2.gz SPMLJKJGPQEJTR-RXMQYKEDSA-N 0 0 232.102 2.072 10 0 BEAERN Cc1cnccc1C(=O)Cc1cncs1 ZINC000166733331 344999645 /nfs/dbraw/zinc/99/96/45/344999645.db2.gz MUEMKZZFLMWKMP-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN CC(C)Cc1ccoc1S(=O)(=O)NC(C)C ZINC000675053556 537885216 /nfs/dbraw/zinc/88/52/16/537885216.db2.gz IIQKFZNCLTUVCR-UHFFFAOYSA-N 0 0 245.344 2.165 10 0 BEAERN COc1ccc(C2C(C)=NN(C)C2=O)cc1OC ZINC000675053576 537885553 /nfs/dbraw/zinc/88/55/53/537885553.db2.gz ILASDQYFJTUEGM-UHFFFAOYSA-N 0 0 248.282 2.118 10 0 BEAERN COc1cc(O)c(N)cc1C(F)(F)F ZINC000214777582 345032093 /nfs/dbraw/zinc/03/20/93/345032093.db2.gz PVDWCHJKMSTBQD-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1ccncc1[C@@]1(O)CCS[C@@H]1C ZINC000235679434 345035005 /nfs/dbraw/zinc/03/50/05/345035005.db2.gz RGTJCWGTARLZNG-MWLCHTKSSA-N 0 0 209.314 2.103 10 0 BEAERN COC(=O)Cc1c(F)cc(F)cc1Cl ZINC000238382161 345036796 /nfs/dbraw/zinc/03/67/96/345036796.db2.gz RJSORFIDLLLPMS-UHFFFAOYSA-N 0 0 220.602 2.334 10 0 BEAERN COc1cc2c(cc1Br)C(=O)CO2 ZINC000238395540 345039189 /nfs/dbraw/zinc/03/91/89/345039189.db2.gz FLMGERIKVIKEQL-UHFFFAOYSA-N 0 0 243.056 2.033 10 0 BEAERN FC(F)Oc1cnc(C(F)(F)F)cn1 ZINC000238531728 345070210 /nfs/dbraw/zinc/07/02/10/345070210.db2.gz AHLNQBHZEGIUAD-UHFFFAOYSA-N 0 0 214.093 2.097 10 0 BEAERN Clc1ncnc2nccc(Br)c12 ZINC000238526989 345070419 /nfs/dbraw/zinc/07/04/19/345070419.db2.gz SFJAAILRQUXHLR-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN Nc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238597265 345087444 /nfs/dbraw/zinc/08/74/44/345087444.db2.gz RLAVYLGDLJNTEV-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN O=Cc1c(Cl)nccc1OC(F)(F)F ZINC000238538293 345072773 /nfs/dbraw/zinc/07/27/73/345072773.db2.gz OWKGHMOSMGREOY-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1nc(-c2csc(N)n2)sc1C ZINC000238537855 345072786 /nfs/dbraw/zinc/07/27/86/345072786.db2.gz SNJKXYCQVRMVSD-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN O=Cc1c(Cl)cncc1OC(F)(F)F ZINC000238543776 345074297 /nfs/dbraw/zinc/07/42/97/345074297.db2.gz PEZYOGUZIWNADN-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=Cc1ccc(Cl)nc1OC(F)(F)F ZINC000238546503 345074707 /nfs/dbraw/zinc/07/47/07/345074707.db2.gz LEAYGNNUZKHCQN-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1ccc(Oc2cc(F)ccc2N)nn1 ZINC000041045186 178819618 /nfs/dbraw/zinc/81/96/18/178819618.db2.gz LGQDTJSAOGCFGB-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN CC(C)(C)OC(=O)CC1(ON)CCCCC1 ZINC000675053587 537887235 /nfs/dbraw/zinc/88/72/35/537887235.db2.gz JEYUVAWJGCDTJA-UHFFFAOYSA-N 0 0 229.320 2.311 10 0 BEAERN Cc1ccc(Cl)cc1N1CC[C@@H](CO)C1 ZINC000011892885 345055450 /nfs/dbraw/zinc/05/54/50/345055450.db2.gz XQCRUNYBPCPEQH-SNVBAGLBSA-N 0 0 225.719 2.467 10 0 BEAERN Cc1ccc(Oc2ccncn2)c(N)c1 ZINC000041045875 178822409 /nfs/dbraw/zinc/82/24/09/178822409.db2.gz IHYGTDXKHUVTLW-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN COC(=O)c1ccc(F)c(OC(F)F)c1F ZINC000146106476 345060196 /nfs/dbraw/zinc/06/01/96/345060196.db2.gz CEYPKILZGDCHIX-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN Cc1nc(C=O)ccc1OC(F)(F)F ZINC000238515442 345067683 /nfs/dbraw/zinc/06/76/83/345067683.db2.gz VMXPZXBMMIBFPG-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(CCNC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000155129481 345068133 /nfs/dbraw/zinc/06/81/33/345068133.db2.gz VNLZAZWXAPWQEM-JSGCOSHPSA-N 0 0 247.338 2.221 10 0 BEAERN Cc1cc(N)cnc1OCc1ccco1 ZINC000052813606 187300804 /nfs/dbraw/zinc/30/08/04/187300804.db2.gz FQFVZVRJZABJGS-UHFFFAOYSA-N 0 0 204.229 2.144 10 0 BEAERN OCc1cc(F)cc(F)c1OC(F)F ZINC000238721309 345118689 /nfs/dbraw/zinc/11/86/89/345118689.db2.gz GQNDVOLTTAJQJZ-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN OCc1cnc(Cl)cc1OC(F)(F)F ZINC000238728959 345120157 /nfs/dbraw/zinc/12/01/57/345120157.db2.gz FYEQVOSQRKWCGG-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Nc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238670925 345108185 /nfs/dbraw/zinc/10/81/85/345108185.db2.gz JERVKGITGBTLAX-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN O[C@H]1CCOc2cccc(Br)c21 ZINC000238694009 345111546 /nfs/dbraw/zinc/11/15/46/345111546.db2.gz SZDFVMPVVOFNAD-ZETCQYMHSA-N 0 0 229.073 2.265 10 0 BEAERN Nc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238703682 345113970 /nfs/dbraw/zinc/11/39/70/345113970.db2.gz JQRYDHWWWUCTOV-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN CCC(=O)[C@H](C)n1cnc2c1CCCC2 ZINC000127346053 345174850 /nfs/dbraw/zinc/17/48/50/345174850.db2.gz NLENSDJDOLEYMH-VIFPVBQESA-N 0 0 206.289 2.302 10 0 BEAERN Cc1cc(-c2cc(NN)ccn2)cs1 ZINC000227694747 345126038 /nfs/dbraw/zinc/12/60/38/345126038.db2.gz SQJCUFSLEGQEHY-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Brc1cnnn1-c1ccccc1 ZINC000145684327 345158971 /nfs/dbraw/zinc/15/89/71/345158971.db2.gz MHOFDKAHSZKDTP-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Cc1ccc(CNC(=O)C[C@H](O)C(C)C)c(C)c1 ZINC000155470316 187301070 /nfs/dbraw/zinc/30/10/70/187301070.db2.gz HDRNDYCQDCONML-AWEZNQCLSA-N 0 0 249.354 2.327 10 0 BEAERN Clc1nnc(CCc2ccccn2)s1 ZINC000136046420 345233400 /nfs/dbraw/zinc/23/34/00/345233400.db2.gz UMWCIVOYFBFYHA-UHFFFAOYSA-N 0 0 225.704 2.372 10 0 BEAERN CCOC(=O)c1cc(C)nc(Br)c1 ZINC000145985262 345234278 /nfs/dbraw/zinc/23/42/78/345234278.db2.gz COYYSMAYSSRSFU-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN Cc1cccc(C)c1NCC1OCCO1 ZINC000005161196 345236740 /nfs/dbraw/zinc/23/67/40/345236740.db2.gz GGNYAVVATITVAW-UHFFFAOYSA-N 0 0 207.273 2.088 10 0 BEAERN CC[C@@H](NC(=O)[C@@H](C)SC)c1nccs1 ZINC000131123807 345293183 /nfs/dbraw/zinc/29/31/83/345293183.db2.gz ZWKRPMBEXQZECG-HTQZYQBOSA-N 0 0 244.385 2.462 10 0 BEAERN CCSCC[C@H](C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000158252167 345311950 /nfs/dbraw/zinc/31/19/50/345311950.db2.gz AAKFDNRFQHSTMO-GARJFASQSA-N 0 0 245.388 2.202 10 0 BEAERN CSCCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000158341287 345324135 /nfs/dbraw/zinc/32/41/35/345324135.db2.gz RKGGMQMWQVLZLV-GHMZBOCLSA-N 0 0 245.388 2.156 10 0 BEAERN CNc1nc(CSC)nc2c1CSC2 ZINC000134718688 345420266 /nfs/dbraw/zinc/42/02/66/345420266.db2.gz AHFUCWNTWZPJGQ-UHFFFAOYSA-N 0 0 227.358 2.128 10 0 BEAERN C[C@H]1Cc2c(c(F)c(F)cc2F)C1=O ZINC000235693357 345441594 /nfs/dbraw/zinc/44/15/94/345441594.db2.gz WJAPNPIUMZAVDJ-BYPYZUCNSA-N 0 0 200.159 2.479 10 0 BEAERN COc1cc(Cl)nc(C(F)(F)F)n1 ZINC000228776507 345395370 /nfs/dbraw/zinc/39/53/70/345395370.db2.gz LBUQLUWVXNDBGF-UHFFFAOYSA-N 0 0 212.558 2.157 10 0 BEAERN C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251272034 345492115 /nfs/dbraw/zinc/49/21/15/345492115.db2.gz OJFWZXBZSPXWIM-JQWIXIFHSA-N 0 0 234.299 2.082 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000171435554 187304214 /nfs/dbraw/zinc/30/42/14/187304214.db2.gz QXFZREMXSKHINJ-FZMZJTMJSA-N 0 0 247.338 2.415 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCCC12CC2 ZINC000626120020 345504187 /nfs/dbraw/zinc/50/41/87/345504187.db2.gz QIGSLKILMZBUDT-MNOVXSKESA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCCC12CC2 ZINC000626120019 345504333 /nfs/dbraw/zinc/50/43/33/345504333.db2.gz QIGSLKILMZBUDT-GHMZBOCLSA-N 0 0 239.359 2.090 10 0 BEAERN Clc1nnc(Cc2cccnc2)s1 ZINC000136046373 345472006 /nfs/dbraw/zinc/47/20/06/345472006.db2.gz FXGVPYBZYVMUQH-UHFFFAOYSA-N 0 0 211.677 2.177 10 0 BEAERN C[C@H]1CCN(c2cccc(F)c2C=O)C1 ZINC000235694637 345478460 /nfs/dbraw/zinc/47/84/60/345478460.db2.gz BCRWVOGMPZESIN-VIFPVBQESA-N 0 0 207.248 2.484 10 0 BEAERN O=C(c1ccc[nH]1)c1ccnc(Cl)c1 ZINC000221455336 345485459 /nfs/dbraw/zinc/48/54/59/345485459.db2.gz SEFPDPBDITZDIT-UHFFFAOYSA-N 0 0 206.632 2.294 10 0 BEAERN O=C(Nc1cnoc1)OCc1ccccc1 ZINC000307394065 345556565 /nfs/dbraw/zinc/55/65/65/345556565.db2.gz LZASQHXBVNMDQV-UHFFFAOYSA-N 0 0 218.212 2.423 10 0 BEAERN Cc1ccc(-c2nc(C)cc(N)n2)s1 ZINC000050866290 345560854 /nfs/dbraw/zinc/56/08/54/345560854.db2.gz RIWXZEKWRLXMEF-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC(C)c1noc(N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000091427091 345592072 /nfs/dbraw/zinc/59/20/72/345592072.db2.gz DYIYOROUYDBQOA-IUCAKERBSA-N 0 0 225.292 2.172 10 0 BEAERN CC(C)c1noc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000091427093 345592284 /nfs/dbraw/zinc/59/22/84/345592284.db2.gz DYIYOROUYDBQOA-BDAKNGLRSA-N 0 0 225.292 2.172 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000091679477 345603300 /nfs/dbraw/zinc/60/33/00/345603300.db2.gz DIKBCBHNWIGUOF-VXNVDRBHSA-N 0 0 244.241 2.272 10 0 BEAERN Cc1ccc([C@H](C)NCc2c(C)cnn2C)o1 ZINC000285324739 178891845 /nfs/dbraw/zinc/89/18/45/178891845.db2.gz BIKFNMKQEJFZFE-NSHDSACASA-N 0 0 233.315 2.481 10 0 BEAERN Cc1ccc([C@H](C)O)c(OCc2nccn2C)c1 ZINC000104331139 178901044 /nfs/dbraw/zinc/90/10/44/178901044.db2.gz RUBHKDGRPWHFSA-NSHDSACASA-N 0 0 246.310 2.361 10 0 BEAERN CC(C)Cn1cc(C(=O)N[C@H](C)C(C)C)cn1 ZINC000180513348 187308118 /nfs/dbraw/zinc/30/81/18/187308118.db2.gz QIBBTSFBKVTJKA-LLVKDONJSA-N 0 0 237.347 2.313 10 0 BEAERN Nc1ccc2cnn([C@H]3CCSC3)c2c1 ZINC000405278785 537904658 /nfs/dbraw/zinc/90/46/58/537904658.db2.gz UFZNEULTPQHCMH-JTQLQIEISA-N 0 0 219.313 2.297 10 0 BEAERN COc1cc(OC)cc([C@H](O)C(C)C)c1 ZINC000082676983 345689238 /nfs/dbraw/zinc/68/92/38/345689238.db2.gz WKKWQAYUGTUXPV-GFCCVEGCSA-N 0 0 210.273 2.393 10 0 BEAERN O[C@@H]1CCc2ccccc2[C@@]1(O)c1ccccc1 ZINC000032233397 345739714 /nfs/dbraw/zinc/73/97/14/345739714.db2.gz TXNJZFSOMICEJL-CVEARBPZSA-N 0 0 240.302 2.230 10 0 BEAERN COC(=O)C(Cl)=NNc1cccc(Cl)c1 ZINC000111474276 345752656 /nfs/dbraw/zinc/75/26/56/345752656.db2.gz ZUXFYHWOWNTRDQ-JYRVWZFOSA-N 0 0 247.081 2.477 10 0 BEAERN O=C1CCC[C@H]1[C@@H](O)c1ccc(F)cc1 ZINC000205767554 345757347 /nfs/dbraw/zinc/75/73/47/345757347.db2.gz RRMNLTZFRCOUDP-PWSUYJOCSA-N 0 0 208.232 2.228 10 0 BEAERN Cc1ccc([C@H]([NH2+]CC2CC2)C(=O)[O-])c(C)c1 ZINC000037967400 178911378 /nfs/dbraw/zinc/91/13/78/178911378.db2.gz HNJSTYNYHQRISP-ZDUSSCGKSA-N 0 0 233.311 2.429 10 0 BEAERN C/C=C/[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000136273364 345809914 /nfs/dbraw/zinc/80/99/14/345809914.db2.gz YRCRNPMLPRGQQE-ZWNMCFTASA-N 0 0 239.340 2.238 10 0 BEAERN Nc1ccccc1[C@@H]1NC(=O)Cc2ccccc21 ZINC000033852863 345812615 /nfs/dbraw/zinc/81/26/15/345812615.db2.gz MPVPDOAOJQJVCZ-OAHLLOKOSA-N 0 0 238.290 2.031 10 0 BEAERN Oc1ccc2c(c1)CC[C@@H]2Cc1c[nH]cn1 ZINC000033979415 345814597 /nfs/dbraw/zinc/81/45/97/345814597.db2.gz VKGOZWQNMQSNNR-SECBINFHSA-N 0 0 214.268 2.388 10 0 BEAERN Cc1[nH]cc(N)c1C(=O)c1ccccc1 ZINC000033824292 345816332 /nfs/dbraw/zinc/81/63/32/345816332.db2.gz APPNFPAQYIBGLU-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN CC1(C)O[C@@H](C=O)[C@H](c2ccccc2)O1 ZINC000034370646 345823640 /nfs/dbraw/zinc/82/36/40/345823640.db2.gz JMFXIHLPZYKSNX-QWRGUYRKSA-N 0 0 206.241 2.078 10 0 BEAERN COc1ccc(C[C@@H](C)OC(C)=O)cc1 ZINC000140700878 345820324 /nfs/dbraw/zinc/82/03/24/345820324.db2.gz GLJCQWPVHWZTDY-SECBINFHSA-N 0 0 208.257 2.189 10 0 BEAERN O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCCCl ZINC000138490697 345771557 /nfs/dbraw/zinc/77/15/57/345771557.db2.gz VFNGULYKOYQZNT-NXEZZACHSA-N 0 0 243.734 2.181 10 0 BEAERN CCO[C@@H]1OC(=O)[C@@H]2[C@H](C)CC[C@H]2[C@@H]1C ZINC000257353692 345774454 /nfs/dbraw/zinc/77/44/54/345774454.db2.gz SQKOYPMIMBRHSW-KZFLBEFCSA-N 0 0 212.289 2.204 10 0 BEAERN C[C@@H]1CCC=C(I)C1=O ZINC000135796354 345790704 /nfs/dbraw/zinc/79/07/04/345790704.db2.gz KZBBCOGTSPLWAU-RXMQYKEDSA-N 0 0 236.052 2.304 10 0 BEAERN CCOC(=O)c1cc(C)c(N)c(Cl)c1 ZINC000139678427 345800898 /nfs/dbraw/zinc/80/08/98/345800898.db2.gz MMJZJYVYOKAMKU-UHFFFAOYSA-N 0 0 213.664 2.407 10 0 BEAERN Nc1ncn(-c2c(Cl)cccc2Cl)n1 ZINC000307485824 345801102 /nfs/dbraw/zinc/80/11/02/345801102.db2.gz BGYHSUWIMSLGFL-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN CCCC[C@H](CC)CC(=O)NCC[C@@H](C)O ZINC000136100849 345841593 /nfs/dbraw/zinc/84/15/93/345841593.db2.gz MZNUSQRZHVNLAK-NEPJUHHUSA-N 0 0 229.364 2.480 10 0 BEAERN CCN1CCc2nc(Cl)sc2C1 ZINC000061714226 345845549 /nfs/dbraw/zinc/84/55/49/345845549.db2.gz ALHGDRDTYAWMSW-UHFFFAOYSA-N 0 0 202.710 2.175 10 0 BEAERN Cn1c2cccc3cccc(c23)/c1=C\C=O ZINC000221452004 345864004 /nfs/dbraw/zinc/86/40/04/345864004.db2.gz CPZNYOWOAYMXHI-XYOKQWHBSA-N 0 0 209.248 2.030 10 0 BEAERN CC(=O)Nc1ccc(Cl)c(C=O)c1F ZINC000215810103 345848883 /nfs/dbraw/zinc/84/88/83/345848883.db2.gz DHHJTLUXQCFVND-UHFFFAOYSA-N 0 0 215.611 2.250 10 0 BEAERN C[C@@H](COS(C)(=O)=O)c1cccc(Cl)c1 ZINC000221584267 345864104 /nfs/dbraw/zinc/86/41/04/345864104.db2.gz JYUDZVPPLCNCHS-QMMMGPOBSA-N 0 0 248.731 2.420 10 0 BEAERN C[C@]1(Nc2cccc(F)n2)CCCOC1 ZINC000235760666 345852058 /nfs/dbraw/zinc/85/20/58/345852058.db2.gz FFKOVFDEIPCZNQ-NSHDSACASA-N 0 0 210.252 2.202 10 0 BEAERN CN(C(=O)Oc1ccc(N)cn1)c1ccccc1 ZINC000140916095 345858401 /nfs/dbraw/zinc/85/84/01/345858401.db2.gz OODYQULVZRKOPC-UHFFFAOYSA-N 0 0 243.266 2.299 10 0 BEAERN CCOC(=O)[C@@H](CC)CNC(=O)OC(C)(C)C ZINC000219356113 345858529 /nfs/dbraw/zinc/85/85/29/345858529.db2.gz OTYLOIFEFRBJDL-VIFPVBQESA-N 0 0 245.319 2.100 10 0 BEAERN CCOC(=O)[C@]1(C)CCc2cc(O)ccc2O1 ZINC000142994921 345864551 /nfs/dbraw/zinc/86/45/51/345864551.db2.gz PZCBLYZNJQZLCJ-ZDUSSCGKSA-N 0 0 236.267 2.039 10 0 BEAERN COC(=O)c1ccc(OCC(F)F)c(C)c1 ZINC000142474432 345863103 /nfs/dbraw/zinc/86/31/03/345863103.db2.gz VPWNLHPHPKQSRO-UHFFFAOYSA-N 0 0 230.210 2.426 10 0 BEAERN CC[C@@H](C(=O)OC)c1ccc(C(=O)OC)cc1 ZINC000034506779 345830109 /nfs/dbraw/zinc/83/01/09/345830109.db2.gz HVOZQRMQZWRPSP-LLVKDONJSA-N 0 0 236.267 2.140 10 0 BEAERN CCOC(=O)C[C@]1(C)OC(=O)c2ccccc21 ZINC000034542827 345830648 /nfs/dbraw/zinc/83/06/48/345830648.db2.gz UVYCHPZLVGXSOC-ZDUSSCGKSA-N 0 0 234.251 2.025 10 0 BEAERN COC(=O)[C@H](C)c1ccc(CCCCO)cc1 ZINC000034433091 345833527 /nfs/dbraw/zinc/83/35/27/345833527.db2.gz PLSUDGYVHTVTAD-LLVKDONJSA-N 0 0 236.311 2.278 10 0 BEAERN Cc1ccc([C@H]2Cc3n[nH]cc3[C@H](O)C2)cc1 ZINC000072415189 178923243 /nfs/dbraw/zinc/92/32/43/178923243.db2.gz BTBJZKPZZIPCMY-SMDDNHRTSA-N 0 0 228.295 2.482 10 0 BEAERN Cn1cc(C(=O)Cc2ccccc2)cc1C=O ZINC000034623851 345836701 /nfs/dbraw/zinc/83/67/01/345836701.db2.gz RBLFCIXZUKJZIC-UHFFFAOYSA-N 0 0 227.263 2.263 10 0 BEAERN CC(=O)C1=C(O)C[C@H](c2ccncc2)CC1 ZINC000214942713 345838469 /nfs/dbraw/zinc/83/84/69/345838469.db2.gz GJIOKJSEFAOPKL-VXGBXAGGSA-N 0 0 217.268 2.123 10 0 BEAERN COC(=O)NCc1cc(C(C)=O)ccc1C ZINC000143206507 345865245 /nfs/dbraw/zinc/86/52/45/345865245.db2.gz MJGVFGQQNCODHW-UHFFFAOYSA-N 0 0 221.256 2.054 10 0 BEAERN CCOc1cc(Br)cn2ccnc12 ZINC000077254405 187360311 /nfs/dbraw/zinc/36/03/11/187360311.db2.gz PESDESBIYYUFMK-UHFFFAOYSA-N 0 0 241.088 2.496 10 0 BEAERN Cc1ccc(OCCCCN2CC2)cc1 ZINC000143379466 345865365 /nfs/dbraw/zinc/86/53/65/345865365.db2.gz DGKUZJHBUYLOHM-UHFFFAOYSA-N 0 0 205.301 2.470 10 0 BEAERN Cc1c[nH]c(=O)c(C)c1I ZINC000143470470 345865968 /nfs/dbraw/zinc/86/59/68/345865968.db2.gz RMIAQXRAQFXKTQ-UHFFFAOYSA-N 0 0 249.051 2.009 10 0 BEAERN C[C@H](O)c1nnc2ccc(F)cc2c1Cl ZINC000143559661 345865996 /nfs/dbraw/zinc/86/59/96/345865996.db2.gz HTJINDYYYRSKLA-YFKPBYRVSA-N 0 0 226.638 2.476 10 0 BEAERN C[C@@H](NC(=O)NCC(C)(C)CCO)C(C)(C)C ZINC000174871546 345897225 /nfs/dbraw/zinc/89/72/25/345897225.db2.gz XIEDZLYWBBSUOA-SNVBAGLBSA-N 0 0 244.379 2.129 10 0 BEAERN CCn1cc(C[C@]2(C)CCC(=O)C2)cn1 ZINC000166879257 345926443 /nfs/dbraw/zinc/92/64/43/345926443.db2.gz VJYNTFOHXADHNE-LBPRGKRZSA-N 0 0 206.289 2.205 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@H]2N1CCCC1=O ZINC000021987454 178943021 /nfs/dbraw/zinc/94/30/21/178943021.db2.gz QHTQJGLGXFCWTA-GFCCVEGCSA-N 0 0 229.279 2.245 10 0 BEAERN COc1ccc(-c2ncc(C=O)s2)cn1 ZINC000166861116 345904901 /nfs/dbraw/zinc/90/49/01/345904901.db2.gz ZCKDCAUFUJLUEZ-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN Cc1ccc(-n2cc(C=O)nn2)c(Cl)c1 ZINC000085272244 345930015 /nfs/dbraw/zinc/93/00/15/345930015.db2.gz BEXZFRLJUSLDMG-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cc1nc(Cl)nc(NC(C)(C)C)c1N ZINC000235816984 345924738 /nfs/dbraw/zinc/92/47/38/345924738.db2.gz CYTOCDOWIQBWLJ-UHFFFAOYSA-N 0 0 214.700 2.231 10 0 BEAERN Cc1occc1Sc1nsc(N)n1 ZINC000235873048 345956022 /nfs/dbraw/zinc/95/60/22/345956022.db2.gz BMMWHFOAGDPMAY-UHFFFAOYSA-N 0 0 213.287 2.173 10 0 BEAERN Cc1ccc(CC(=O)c2cncs2)nc1 ZINC000235905628 345956955 /nfs/dbraw/zinc/95/69/55/345956955.db2.gz QPAOIGAQBYVKDW-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN Cc1cc(C)c([C@H](O)CC2OCCO2)c(F)c1 ZINC000235909818 345957361 /nfs/dbraw/zinc/95/73/61/345957361.db2.gz UNZIKDAWWRUEQX-LLVKDONJSA-N 0 0 240.274 2.239 10 0 BEAERN Cc1ccc(C(=O)N2CC=CCN2)c(Cl)c1 ZINC000628221296 345958272 /nfs/dbraw/zinc/95/82/72/345958272.db2.gz BQKBPEVFAYGRBZ-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN Cc1nnsc1[C@@H](O)C1=CCCCC1 ZINC000235830494 345938612 /nfs/dbraw/zinc/93/86/12/345938612.db2.gz STPBBTOODWJCID-VIFPVBQESA-N 0 0 210.302 2.380 10 0 BEAERN Nc1cccnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000088417559 345944154 /nfs/dbraw/zinc/94/41/54/345944154.db2.gz ATKGDSZMGXQFBK-QMMMGPOBSA-N 0 0 245.248 2.443 10 0 BEAERN C/C=C(\CC)C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000188674182 187312371 /nfs/dbraw/zinc/31/23/71/187312371.db2.gz WETQHRWQSWBRES-JNZVDCKRSA-N 0 0 248.330 2.215 10 0 BEAERN Cc1cc2c([nH]c(Cl)nc2=O)s1 ZINC000235867177 345948963 /nfs/dbraw/zinc/94/89/63/345948963.db2.gz AAINBJFQLZYALH-UHFFFAOYSA-N 0 0 200.650 2.359 10 0 BEAERN O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC=CCN1 ZINC000628220668 345951746 /nfs/dbraw/zinc/95/17/46/345951746.db2.gz FRPJLKMKESATGP-MGPQQGTHSA-N 0 0 248.370 2.496 10 0 BEAERN CC1(C)CCCC[C@@H]1C(=O)N1CC=CCN1 ZINC000628220608 345952038 /nfs/dbraw/zinc/95/20/38/345952038.db2.gz CZFSNGGVGBGYMN-LLVKDONJSA-N 0 0 222.332 2.106 10 0 BEAERN O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CC=CCN1 ZINC000628220667 345952110 /nfs/dbraw/zinc/95/21/10/345952110.db2.gz FRPJLKMKESATGP-MELADBBJSA-N 0 0 248.370 2.496 10 0 BEAERN CC(F)(F)CCC[C@H](O)c1cn[nH]c1 ZINC000718586062 537925784 /nfs/dbraw/zinc/92/57/84/537925784.db2.gz TYUZQRZELZZQEF-QMMMGPOBSA-N 0 0 204.220 2.269 10 0 BEAERN O=Cc1c(F)cncc1N1CCCCC1 ZINC000118320322 537925795 /nfs/dbraw/zinc/92/57/95/537925795.db2.gz BZSHZQORALEXRB-UHFFFAOYSA-N 0 0 208.236 2.024 10 0 BEAERN Cc1c(N)cncc1-c1ccncc1F ZINC000722743570 537929093 /nfs/dbraw/zinc/92/90/93/537929093.db2.gz HBLHFLKECLLPNF-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN CCc1cc(O)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000191081950 345991047 /nfs/dbraw/zinc/99/10/47/345991047.db2.gz DKOQZBQLZSVLJF-RNCFNFMXSA-N 0 0 249.310 2.461 10 0 BEAERN CCCCc1ccc(-n2cc(C=O)nn2)cc1 ZINC000090295230 345966907 /nfs/dbraw/zinc/96/69/07/345966907.db2.gz XDLNGSNRYHJSET-UHFFFAOYSA-N 0 0 229.283 2.422 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cnn(C(C)C)c1 ZINC000188944833 187313158 /nfs/dbraw/zinc/31/31/58/187313158.db2.gz XQRXTXGTAIFEHB-JTQLQIEISA-N 0 0 223.320 2.238 10 0 BEAERN COC(=O)c1ccc2oc(C=O)cc2c1 ZINC000034530028 537930322 /nfs/dbraw/zinc/93/03/22/537930322.db2.gz JBRMREDVKAJQAF-UHFFFAOYSA-N 0 0 204.181 2.032 10 0 BEAERN O[C@@H](CCCOCc1ccccc1)c1cn[nH]c1 ZINC000719405723 537931060 /nfs/dbraw/zinc/93/10/60/537931060.db2.gz NALPUCNAUSDKHE-AWEZNQCLSA-N 0 0 246.310 2.440 10 0 BEAERN Cc1nc(C)c(F)c(NCCCC2CC2)n1 ZINC000390413454 259387677 /nfs/dbraw/zinc/38/76/77/259387677.db2.gz GAVVARPNAUPLKD-UHFFFAOYSA-N 0 0 223.295 2.257 10 0 BEAERN O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300562593 346034646 /nfs/dbraw/zinc/03/46/46/346034646.db2.gz BPQQOHLPNGANLJ-JGPRNRPPSA-N 0 0 219.328 2.339 10 0 BEAERN O=Cc1ncc(F)c2c(Br)c[nH]c21 ZINC000095920075 346077484 /nfs/dbraw/zinc/07/74/84/346077484.db2.gz LAROIBHDVLDULW-UHFFFAOYSA-N 0 0 243.035 2.277 10 0 BEAERN Brc1cscc1C[C@H]1CO1 ZINC000148383849 346084236 /nfs/dbraw/zinc/08/42/36/346084236.db2.gz MOTNSZDDNPQEFC-LURJTMIESA-N 0 0 219.103 2.452 10 0 BEAERN C[C@@H]1Oc2cc(F)c(Br)cc2[C@@H]1O ZINC000148424679 346108092 /nfs/dbraw/zinc/10/80/92/346108092.db2.gz NTOGOVAYUFKNDL-AJAUBTJJSA-N 0 0 247.063 2.403 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1ccccc1C ZINC000096304336 346108438 /nfs/dbraw/zinc/10/84/38/346108438.db2.gz WMMCEWZIGFVUKE-NSHDSACASA-N 0 0 245.278 2.271 10 0 BEAERN Fc1c[nH]c2cncc(Br)c12 ZINC000096320900 346112284 /nfs/dbraw/zinc/11/22/84/346112284.db2.gz NVTYEDLZFXWRKD-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Nc1cc2c(cc1C(F)(F)F)OCCO2 ZINC000685962269 537944259 /nfs/dbraw/zinc/94/42/59/537944259.db2.gz AVNCUCHMAUONII-UHFFFAOYSA-N 0 0 219.162 2.059 10 0 BEAERN Cc1csc(-c2nnc(CN)o2)c1Cl ZINC000235960062 346175669 /nfs/dbraw/zinc/17/56/69/346175669.db2.gz CYLCEZZCINATGO-UHFFFAOYSA-N 0 0 229.692 2.219 10 0 BEAERN Cc1ncc(-c2nnc(Cl)o2)s1 ZINC000235962487 346176132 /nfs/dbraw/zinc/17/61/32/346176132.db2.gz YCGXKCCNEVYPBN-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@@H]3C[C@@H]3C)cc2n1 ZINC000171506491 178988037 /nfs/dbraw/zinc/98/80/37/178988037.db2.gz FAYIADATXLSNMN-IONNQARKSA-N 0 0 230.267 2.274 10 0 BEAERN O=C1C[C@H](c2cc(F)ccc2Br)N1 ZINC000236158491 346200283 /nfs/dbraw/zinc/20/02/83/346200283.db2.gz BLCAAHOTZSJOFE-MRVPVSSYSA-N 0 0 244.063 2.149 10 0 BEAERN Clc1nsnc1N[C@H]1CCO[C@H]1C1CC1 ZINC000236034947 346185217 /nfs/dbraw/zinc/18/52/17/346185217.db2.gz OVJYVVJMKGUAOC-BQBZGAKWSA-N 0 0 245.735 2.171 10 0 BEAERN CCOC(=O)C(=O)c1ccc(N(CC)CC)cc1 ZINC000005311790 346185256 /nfs/dbraw/zinc/18/52/56/346185256.db2.gz UDGDRYNJIVCMEQ-UHFFFAOYSA-N 0 0 249.310 2.279 10 0 BEAERN O=C(c1cccnc1)c1ncccc1Cl ZINC000236037393 346185481 /nfs/dbraw/zinc/18/54/81/346185481.db2.gz HBASHBMBXQFLLS-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN Clc1ccc(Sc2ncco2)nn1 ZINC000236060696 346187302 /nfs/dbraw/zinc/18/73/02/346187302.db2.gz QFFKKWICGIMMPW-UHFFFAOYSA-N 0 0 213.649 2.269 10 0 BEAERN O=Cc1c(Cl)ncnc1Sc1ncco1 ZINC000236075939 346188938 /nfs/dbraw/zinc/18/89/38/346188938.db2.gz TXLSKMWJGVTWSO-UHFFFAOYSA-N 0 0 241.659 2.082 10 0 BEAERN Cn1ncc(Cl)c1[C@H](O)[C@H]1CC1(C)C ZINC000236087950 346191080 /nfs/dbraw/zinc/19/10/80/346191080.db2.gz KKNKPDXQYZSFFO-HZGVNTEJSA-N 0 0 214.696 2.153 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1nc(Cl)nnc1Cl ZINC000167217372 346214023 /nfs/dbraw/zinc/21/40/23/346214023.db2.gz AKWQWVZCFNDRFB-RFZPGFLSSA-N 0 0 233.102 2.246 10 0 BEAERN Fc1cc(Br)cnc1-n1cccn1 ZINC000236146199 346197159 /nfs/dbraw/zinc/19/71/59/346197159.db2.gz JVJYSAFMDROLKG-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN C[C@@H]1C[C@H]1CNc1nc(Cl)nnc1Cl ZINC000167217588 346214393 /nfs/dbraw/zinc/21/43/93/346214393.db2.gz AKWQWVZCFNDRFB-UHNVWZDZSA-N 0 0 233.102 2.246 10 0 BEAERN Nc1cnc(Sc2ncc[nH]2)c(Cl)c1 ZINC000236358764 346229530 /nfs/dbraw/zinc/22/95/30/346229530.db2.gz PCXSJEDSBYQSEV-UHFFFAOYSA-N 0 0 226.692 2.192 10 0 BEAERN O=C(c1ccc[nH]1)C(F)(F)C(F)(F)F ZINC000167294724 346230231 /nfs/dbraw/zinc/23/02/31/346230231.db2.gz CPXFKCGQZXXXLY-UHFFFAOYSA-N 0 0 213.105 2.395 10 0 BEAERN Nc1nsc(-c2ccoc2Cl)n1 ZINC000236374409 346231675 /nfs/dbraw/zinc/23/16/75/346231675.db2.gz XPLHGAXZKUFVQW-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN Cc1cccc(C(=O)N(C)c2ccccn2)c1O ZINC000019839093 179005612 /nfs/dbraw/zinc/00/56/12/179005612.db2.gz LJSMCYILJALQHA-UHFFFAOYSA-N 0 0 242.278 2.372 10 0 BEAERN Nc1noc(-c2cncs2)c1Br ZINC000236393775 346235161 /nfs/dbraw/zinc/23/51/61/346235161.db2.gz JAFIALHYJGELBC-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN O=C1C[C@H](c2ccc(F)cc2Br)N1 ZINC000236271027 346217143 /nfs/dbraw/zinc/21/71/43/346217143.db2.gz UOZKIXVUSKXWIP-MRVPVSSYSA-N 0 0 244.063 2.149 10 0 BEAERN Fc1cncc(C2N=NC(=S)S2)c1 ZINC000236273484 346218265 /nfs/dbraw/zinc/21/82/65/346218265.db2.gz YZQJOLYCTBXWMW-UHFFFAOYSA-N 0 0 213.262 2.028 10 0 BEAERN N[C@H](c1cnc(C(F)(F)F)s1)C(F)F ZINC000236300071 346223298 /nfs/dbraw/zinc/22/32/98/346223298.db2.gz XOKDWIXVJZNIKP-GSVOUGTGSA-N 0 0 232.177 2.427 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@@H]2C)c1N ZINC000037909593 179008695 /nfs/dbraw/zinc/00/86/95/179008695.db2.gz NABLIFCIUQOKPA-JTQLQIEISA-N 0 0 218.300 2.202 10 0 BEAERN OC1(c2scnc2Br)CCC1 ZINC000236473933 346243247 /nfs/dbraw/zinc/24/32/47/346243247.db2.gz FHLAIYJUQKCXFW-UHFFFAOYSA-N 0 0 234.118 2.277 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccccc1O ZINC000020304728 187316852 /nfs/dbraw/zinc/31/68/52/187316852.db2.gz DQQOCLSIXLJLDZ-VIFPVBQESA-N 0 0 207.273 2.167 10 0 BEAERN O[C@@H](c1ccc[nH]1)c1ccoc1Br ZINC000236520813 346246288 /nfs/dbraw/zinc/24/62/88/346246288.db2.gz MPVJSNGMHWBMAE-MRVPVSSYSA-N 0 0 242.072 2.452 10 0 BEAERN O[C@H](CC1OCCO1)c1ccc(Cl)s1 ZINC000236533406 346247152 /nfs/dbraw/zinc/24/71/52/346247152.db2.gz SKGYDRQQECQIIT-ZCFIWIBFSA-N 0 0 234.704 2.198 10 0 BEAERN CN(C)C(=O)c1ccc(Cl)nc1Cl ZINC000034346367 346250167 /nfs/dbraw/zinc/25/01/67/346250167.db2.gz GQGNVBMAXYTSAH-UHFFFAOYSA-N 0 0 219.071 2.090 10 0 BEAERN CC(C)(C)c1ncc(C(N)=S)s1 ZINC000082416758 187317332 /nfs/dbraw/zinc/31/73/32/187317332.db2.gz YVYZNAQSHOOXJR-UHFFFAOYSA-N 0 0 200.332 2.075 10 0 BEAERN Cc1cccc(C(=O)NCC2CCC2)c1N ZINC000037179161 179015664 /nfs/dbraw/zinc/01/56/64/179015664.db2.gz DPUOCCOTKFDXSJ-UHFFFAOYSA-N 0 0 218.300 2.107 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)[C@H](C)CO)c1C ZINC000133487909 179023573 /nfs/dbraw/zinc/02/35/73/179023573.db2.gz NCOZRLCRENVFNR-ZYHUDNBSSA-N 0 0 235.327 2.050 10 0 BEAERN Cc1cccc(C(=O)OC2CCC2)c1N ZINC000050929056 179026024 /nfs/dbraw/zinc/02/60/24/179026024.db2.gz GVYSHWTVDJAGLM-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN C[C@H]1[NH2+]CCO[C@@H]1c1ccccc1Cl ZINC000082964535 187318496 /nfs/dbraw/zinc/31/84/96/187318496.db2.gz DHZHDGAPDQINBW-KCJUWKMLSA-N 0 0 211.692 2.389 10 0 BEAERN COC(=O)c1cc(F)c(OC)cc1Cl ZINC000034409084 346266898 /nfs/dbraw/zinc/26/68/98/346266898.db2.gz OWHOIUUHJWCGCF-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CCOC(=O)[C@H](O)C1(F)CCC(CC)CC1 ZINC000675052616 537964194 /nfs/dbraw/zinc/96/41/94/537964194.db2.gz GZLYUCBFZWCKDY-YZRBJQDESA-N 0 0 232.295 2.219 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000225666166 179021522 /nfs/dbraw/zinc/02/15/22/179021522.db2.gz IYXZVDIMODEALI-UONOGXRCSA-N 0 0 247.338 2.276 10 0 BEAERN Cc1n[nH]c2cc(F)c(Cl)cc2c1=O ZINC000669376760 537962323 /nfs/dbraw/zinc/96/23/23/537962323.db2.gz OMBGAEHNXMPIGJ-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN OC[C@@](O)(C1=CCCCCC1)C(F)(F)F ZINC000675052259 537962372 /nfs/dbraw/zinc/96/23/72/537962372.db2.gz CIXGXBPWDYOIRC-SECBINFHSA-N 0 0 224.222 2.163 10 0 BEAERN N[C@H](C(=O)C1CCC1)c1ccc(F)cc1 ZINC000669376729 537962406 /nfs/dbraw/zinc/96/24/06/537962406.db2.gz MCGSTBOQISYXEX-NSHDSACASA-N 0 0 207.248 2.195 10 0 BEAERN O[C@@H](C1CC1)[C@@H]1Cc2ccccc2S1 ZINC000136698136 346281733 /nfs/dbraw/zinc/28/17/33/346281733.db2.gz MKVGNKWCJGHZHO-RYUDHWBXSA-N 0 0 206.310 2.474 10 0 BEAERN C[C@@H]1CC(=O)c2cc(Cl)ccc2[S@]1=O ZINC000034432161 346282451 /nfs/dbraw/zinc/28/24/51/346282451.db2.gz GFTINLQPJYHDSC-RWBAJPLHSA-N 0 0 228.700 2.423 10 0 BEAERN O=C(N1C[C@H]2CCC[C@H]21)N1CCCCCC1 ZINC000641747469 362674699 /nfs/dbraw/zinc/67/46/99/362674699.db2.gz JRSBMNBAUPRZCO-VXGBXAGGSA-N 0 0 222.332 2.467 10 0 BEAERN C[C@@H](Oc1cccc(F)c1F)C(N)=S ZINC000062615122 346292801 /nfs/dbraw/zinc/29/28/01/346292801.db2.gz SAWWTXDDYIERIR-RXMQYKEDSA-N 0 0 217.240 2.018 10 0 BEAERN Nc1ccc2ccn([C@@H]3CCOC3)c2c1 ZINC000308618185 537966791 /nfs/dbraw/zinc/96/67/91/537966791.db2.gz MCMIHASAWVHTGE-LLVKDONJSA-N 0 0 202.257 2.185 10 0 BEAERN CCC[C@@H](C)N1C(=O)N[C@H](C(C)(C)C)C1=O ZINC000679124006 488311282 /nfs/dbraw/zinc/31/12/82/488311282.db2.gz RTPHXRQEZPBKRS-BDAKNGLRSA-N 0 0 226.320 2.142 10 0 BEAERN Cc1cccc(C)c1NCCN1CCOCC1 ZINC000032089897 179043564 /nfs/dbraw/zinc/04/35/64/179043564.db2.gz LUCSNQHMUITSDV-UHFFFAOYSA-N 0 0 234.343 2.048 10 0 BEAERN COc1ccc(C(=O)CSC(C)=O)cc1 ZINC000028710005 187320661 /nfs/dbraw/zinc/32/06/61/187320661.db2.gz QWXKPJQXCIEPHL-UHFFFAOYSA-N 0 0 224.281 2.158 10 0 BEAERN CCN1CCO[C@H](c2ccc(NC)cc2)C1 ZINC000148651207 346376621 /nfs/dbraw/zinc/37/66/21/346376621.db2.gz UARQNIDYQKMDRI-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN Cc1cccc(CCc2cc(N)on2)c1 ZINC000041211087 179062485 /nfs/dbraw/zinc/06/24/85/179062485.db2.gz ALKYBYOBCTVCMG-UHFFFAOYSA-N 0 0 202.257 2.350 10 0 BEAERN CCOC(=O)c1ccnc(C[C@@H](C)CC)n1 ZINC000669378863 537971495 /nfs/dbraw/zinc/97/14/95/537971495.db2.gz QHEMLFZTLPFTOU-VIFPVBQESA-N 0 0 222.288 2.242 10 0 BEAERN CCOC(=O)c1ccnc(C[C@H](C)CC)n1 ZINC000669378862 537971630 /nfs/dbraw/zinc/97/16/30/537971630.db2.gz QHEMLFZTLPFTOU-SECBINFHSA-N 0 0 222.288 2.242 10 0 BEAERN CC(C)(C)[C@H]1NC(=O)N(c2ccccc2)C1=O ZINC000348707947 537976563 /nfs/dbraw/zinc/97/65/63/537976563.db2.gz XJTMLQSYOWKRDU-JTQLQIEISA-N 0 0 232.283 2.158 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)c(O)c1 ZINC000336593471 187369037 /nfs/dbraw/zinc/36/90/37/187369037.db2.gz SGZMQXJWBKFQIP-PWSUYJOCSA-N 0 0 231.295 2.325 10 0 BEAERN CC(C)c1nc(Br)cc(N(C)C)n1 ZINC000160513875 346456748 /nfs/dbraw/zinc/45/67/48/346456748.db2.gz LNTDLSGKMLISRR-UHFFFAOYSA-N 0 0 244.136 2.429 10 0 BEAERN CCc1noc(CN[C@@H](C)c2ccc(C)o2)n1 ZINC000623014262 346509778 /nfs/dbraw/zinc/50/97/78/346509778.db2.gz IWDWQJAFUBPLPJ-VIFPVBQESA-N 0 0 235.287 2.384 10 0 BEAERN OCc1csc(CNc2ccsc2)n1 ZINC000669379897 537982332 /nfs/dbraw/zinc/98/23/32/537982332.db2.gz MCOSJTPGBYPRBP-UHFFFAOYSA-N 0 0 226.326 2.309 10 0 BEAERN CC1(C)C[C@@](O)(c2ccccc2)CCO1 ZINC000069896683 349967986 /nfs/dbraw/zinc/96/79/86/349967986.db2.gz GRJWBCKIQFVTKW-CYBMUJFWSA-N 0 0 206.285 2.463 10 0 BEAERN Cc1cc2nc(-c3ccccc3)[nH]c(=O)c2[nH]1 ZINC000039239882 346566253 /nfs/dbraw/zinc/56/62/53/346566253.db2.gz BFSRLYHFONFYNJ-UHFFFAOYSA-N 0 0 225.251 2.227 10 0 BEAERN Cc1cccc(N)c1C(=O)NCC1CCCC1 ZINC000037257371 179119240 /nfs/dbraw/zinc/11/92/40/179119240.db2.gz SAUQRGKLZRYXQY-UHFFFAOYSA-N 0 0 232.327 2.497 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CCC[C@@H]1C ZINC000037909609 179119354 /nfs/dbraw/zinc/11/93/54/179119354.db2.gz BRJIKNHJTCLFJO-JTQLQIEISA-N 0 0 218.300 2.202 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CCCCC1 ZINC000022220805 179119086 /nfs/dbraw/zinc/11/90/86/179119086.db2.gz BOQFRTTXIKZRIN-UHFFFAOYSA-N 0 0 218.300 2.203 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CCC(C)CC1 ZINC000022217971 179119113 /nfs/dbraw/zinc/11/91/13/179119113.db2.gz MQZMCHUQEFRCQG-UHFFFAOYSA-N 0 0 232.327 2.449 10 0 BEAERN Nc1cnc(-c2ccncc2Cl)c(Cl)n1 ZINC000149100573 346551451 /nfs/dbraw/zinc/55/14/51/346551451.db2.gz ZEGIHOFHDAZOQD-UHFFFAOYSA-N 0 0 241.081 2.428 10 0 BEAERN Cc1cccc(N)c1NC(=O)c1ccoc1 ZINC000036925507 179120404 /nfs/dbraw/zinc/12/04/04/179120404.db2.gz IVKPWIIQTXNTTC-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@H]([C@@H](C)O)C1 ZINC000580701302 346603070 /nfs/dbraw/zinc/60/30/70/346603070.db2.gz DHTXHAJKUQPIDY-NEPJUHHUSA-N 0 0 249.358 2.197 10 0 BEAERN Cc1cnc([C@H]2CSCCO2)s1 ZINC000164752246 346622785 /nfs/dbraw/zinc/62/27/85/346622785.db2.gz RWPMBNBNQMBIFQ-SSDOTTSWSA-N 0 0 201.316 2.256 10 0 BEAERN Cc1cccc(N)c1C(=O)N1C[C@@H]2CC[C@H]1C2 ZINC000049715771 179119646 /nfs/dbraw/zinc/11/96/46/179119646.db2.gz FGZNYLCRRUKURB-MNOVXSKESA-N 0 0 230.311 2.202 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)C(C)C ZINC000022221088 179119883 /nfs/dbraw/zinc/11/98/83/179119883.db2.gz BRQHNALMROPHSS-UHFFFAOYSA-N 0 0 206.289 2.058 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)Cc1ccco1 ZINC000035700404 179120008 /nfs/dbraw/zinc/12/00/08/179120008.db2.gz LERDLUIZMIHYPO-UHFFFAOYSA-N 0 0 244.294 2.442 10 0 BEAERN Nc1cc(-c2cccc(F)c2Cl)[nH]n1 ZINC000165258113 346646122 /nfs/dbraw/zinc/64/61/22/346646122.db2.gz UZSSLXFHWQTXDI-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)n1 ZINC000181843112 179136125 /nfs/dbraw/zinc/13/61/25/179136125.db2.gz XMRZIFOLOZZXHL-WDEREUQCSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)n1 ZINC000181843093 179136666 /nfs/dbraw/zinc/13/66/66/179136666.db2.gz XMRZIFOLOZZXHL-MNOVXSKESA-N 0 0 249.314 2.079 10 0 BEAERN COC(=O)N1CCCC[C@H]1c1ccccn1 ZINC000149262368 346663524 /nfs/dbraw/zinc/66/35/24/346663524.db2.gz HNKWRCUWLJJYGD-NSHDSACASA-N 0 0 220.272 2.375 10 0 BEAERN Cc1ccc(CNN(C)C)cc1Br ZINC000164762465 346624292 /nfs/dbraw/zinc/62/42/92/346624292.db2.gz DOKYYPMQPCXTBB-UHFFFAOYSA-N 0 0 243.148 2.324 10 0 BEAERN CC(C)(C)NC(=O)[C@]1(C)CCCS1 ZINC000164774269 346624982 /nfs/dbraw/zinc/62/49/82/346624982.db2.gz CZJUFOUQYKCKIX-JTQLQIEISA-N 0 0 201.335 2.187 10 0 BEAERN Cc1ccncc1C(=O)Cc1ccco1 ZINC000164817709 346627066 /nfs/dbraw/zinc/62/70/66/346627066.db2.gz NBXXIFJFOQTKQB-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN Cc1cccc(NC(=O)N2CC[C@@H](CCO)C2)c1 ZINC000227529135 179131734 /nfs/dbraw/zinc/13/17/34/179131734.db2.gz WKGFLADRRSBLPB-LBPRGKRZSA-N 0 0 248.326 2.231 10 0 BEAERN CC[C@@H](NC(=O)CCC(C)=O)c1nccs1 ZINC000203524373 346636453 /nfs/dbraw/zinc/63/64/53/346636453.db2.gz ZWMQOSHRVCQPFN-SECBINFHSA-N 0 0 240.328 2.080 10 0 BEAERN CCOC(=O)c1cc(N)cc(F)c1Cl ZINC000165050660 346636754 /nfs/dbraw/zinc/63/67/54/346636754.db2.gz MSWYVEHQEKXJKF-UHFFFAOYSA-N 0 0 217.627 2.238 10 0 BEAERN O=c1c(Cl)nccn1Cc1cccs1 ZINC000165077087 346638042 /nfs/dbraw/zinc/63/80/42/346638042.db2.gz DRQBVJIKOKGUTE-UHFFFAOYSA-N 0 0 226.688 2.007 10 0 BEAERN CC(=O)CCC(=O)N1CCCCC[C@H]1C ZINC000203581718 346640271 /nfs/dbraw/zinc/64/02/71/346640271.db2.gz MJWWKEIIYPYSDX-SNVBAGLBSA-N 0 0 211.305 2.147 10 0 BEAERN CC(C)(C)c1ccc(OC[C@@H]2CNC(=O)O2)cc1 ZINC000070245395 349975410 /nfs/dbraw/zinc/97/54/10/349975410.db2.gz JFFWUKBIVHZDID-LBPRGKRZSA-N 0 0 249.310 2.471 10 0 BEAERN Cc1cccc(N[C@@](C)(C(N)=O)C(C)C)c1 ZINC000037943363 179156722 /nfs/dbraw/zinc/15/67/22/179156722.db2.gz CIUFQPUAKSUMHL-CYBMUJFWSA-N 0 0 220.316 2.307 10 0 BEAERN CSc1nn2c(nc3ccccc3c2=O)s1 ZINC000169560769 346765879 /nfs/dbraw/zinc/76/58/79/346765879.db2.gz DDZTYUPEGUXQOR-UHFFFAOYSA-N 0 0 249.320 2.026 10 0 BEAERN CCC[C@@H]1CC=C([C@H](O)C(=O)OCC)CC1 ZINC000675055177 537985907 /nfs/dbraw/zinc/98/59/07/537985907.db2.gz YWFYBPXNLFQGNA-PWSUYJOCSA-N 0 0 226.316 2.437 10 0 BEAERN Cc1cccc(N[C@@H](C(N)=O)c2cccnc2)c1 ZINC000037943468 179153377 /nfs/dbraw/zinc/15/33/77/179153377.db2.gz HXOBITGKESCQJM-CYBMUJFWSA-N 0 0 241.294 2.029 10 0 BEAERN CNc1c(C)nn(-c2cccnc2)c1Cl ZINC000169014488 346751063 /nfs/dbraw/zinc/75/10/63/346751063.db2.gz JBLATVJNSWIZPJ-UHFFFAOYSA-N 0 0 222.679 2.271 10 0 BEAERN Cc1cccc(N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000055420946 179153930 /nfs/dbraw/zinc/15/39/30/179153930.db2.gz GPUSFEGYZRUNCB-LBPRGKRZSA-N 0 0 232.327 2.418 10 0 BEAERN Cc1cccc(Nc2ncccc2N)n1 ZINC000075601621 179161279 /nfs/dbraw/zinc/16/12/79/179161279.db2.gz OGHCTAXPJRLHPP-UHFFFAOYSA-N 0 0 200.245 2.111 10 0 BEAERN Cc1cccc(OCCC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000171059885 179164635 /nfs/dbraw/zinc/16/46/35/179164635.db2.gz AIWMYHXTALGFNA-WCQYABFASA-N 0 0 233.311 2.289 10 0 BEAERN Cc1cccc(OCCCc2nnc(N)s2)c1 ZINC000020336563 179166316 /nfs/dbraw/zinc/16/63/16/179166316.db2.gz AMSPQDSWWOCPNV-UHFFFAOYSA-N 0 0 249.339 2.440 10 0 BEAERN Cc1cccc(Nc2cc(N)nc(N)n2)c1C ZINC000082296250 179159035 /nfs/dbraw/zinc/15/90/35/179159035.db2.gz LXPWSBIKFYHRBI-UHFFFAOYSA-N 0 0 229.287 2.001 10 0 BEAERN Cc1cccc(N[C@]2(CO)CCSC2)c1 ZINC000038115098 179159100 /nfs/dbraw/zinc/15/91/00/179159100.db2.gz VFAOTUWHDMVIMP-LBPRGKRZSA-N 0 0 223.341 2.275 10 0 BEAERN Nc1c(Br)cccc1-c1ncno1 ZINC000062826747 347138460 /nfs/dbraw/zinc/13/84/60/347138460.db2.gz RERVMLJWPCCRSI-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CNc1cccc(Cl)c1 ZINC000309770386 347159857 /nfs/dbraw/zinc/15/98/57/347159857.db2.gz KHLPAOFAWOXMMT-KCJUWKMLSA-N 0 0 238.718 2.277 10 0 BEAERN C[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000038251902 347161294 /nfs/dbraw/zinc/16/12/94/347161294.db2.gz XNCQKVGNUJGIDK-LLVKDONJSA-N 0 0 203.285 2.445 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000387907668 347126052 /nfs/dbraw/zinc/12/60/52/347126052.db2.gz FTVYAYXTKWGABW-UMSGYPCISA-N 0 0 239.359 2.040 10 0 BEAERN Cc1cccc(Oc2ncccn2)c1N ZINC000035283732 179176237 /nfs/dbraw/zinc/17/62/37/179176237.db2.gz RCVGTHAICIPKCS-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1cccc([C@@H]2C=CS(=O)(=O)C2)c1 ZINC000040173711 179189914 /nfs/dbraw/zinc/18/99/14/179189914.db2.gz DPSKAMWPADWPEW-LLVKDONJSA-N 0 0 208.282 2.021 10 0 BEAERN FC(F)(F)c1cc2ncnn2c(Cl)c1 ZINC000725243019 537987739 /nfs/dbraw/zinc/98/77/39/537987739.db2.gz FYSYTSWOFJBACS-UHFFFAOYSA-N 0 0 221.569 2.402 10 0 BEAERN Cc1ccc(S(=O)(=O)N2[C@H](C)C[C@H]2C)cc1 ZINC000206119567 347270994 /nfs/dbraw/zinc/27/09/94/347270994.db2.gz RKBXNUSTVZVGGR-GHMZBOCLSA-N 0 0 239.340 2.166 10 0 BEAERN CCCC[C@@H](C)C(=O)N1CC[C@H](CCO)C1 ZINC000301005937 347326645 /nfs/dbraw/zinc/32/66/45/347326645.db2.gz YWXXHPKMGOXKCV-VXGBXAGGSA-N 0 0 227.348 2.044 10 0 BEAERN CC1=NN(C)C(=O)C1c1ccc(C(C)(C)O)cc1 ZINC000675055273 537989256 /nfs/dbraw/zinc/98/92/56/537989256.db2.gz YTEJPOPODHHMGX-UHFFFAOYSA-N 0 0 246.310 2.329 10 0 BEAERN Cc1ccc2c(c1)[C@@H](O)N(C(C)(C)C)C2=O ZINC000118471720 347363059 /nfs/dbraw/zinc/36/30/59/347363059.db2.gz WJSVPIQWQFRIPQ-GFCCVEGCSA-N 0 0 219.284 2.240 10 0 BEAERN Clc1cnc2c(c1)NC[C@H](C1CC1)N2 ZINC000149613359 347373020 /nfs/dbraw/zinc/37/30/20/347373020.db2.gz CVNTURUGEDNKOC-SECBINFHSA-N 0 0 209.680 2.351 10 0 BEAERN CCOC(=O)c1cc(C(F)F)nc(Cl)n1 ZINC000669380478 537989509 /nfs/dbraw/zinc/98/95/09/537989509.db2.gz OCNIDXFPXBVZCC-UHFFFAOYSA-N 0 0 236.605 2.244 10 0 BEAERN NC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000192660429 347381552 /nfs/dbraw/zinc/38/15/52/347381552.db2.gz IEBOQXPOPNMYSM-UHFFFAOYSA-N 0 0 244.298 2.253 10 0 BEAERN CCc1nc2cc(C(C)(C)C)cc(O)n2n1 ZINC000725243071 537989722 /nfs/dbraw/zinc/98/97/22/537989722.db2.gz IPESKXFRVAMADA-UHFFFAOYSA-N 0 0 219.288 2.295 10 0 BEAERN Cc1cccc2ncc([C@H](N)C(F)(F)F)n21 ZINC000031919698 179232171 /nfs/dbraw/zinc/23/21/71/179232171.db2.gz GPRBYUHUUFIUGR-VIFPVBQESA-N 0 0 229.205 2.205 10 0 BEAERN Cc1cccc2oc(-c3c[nH]nc3N)nc21 ZINC000038052674 179233306 /nfs/dbraw/zinc/23/33/06/179233306.db2.gz YEEYJJFQWOOXPD-UHFFFAOYSA-N 0 0 214.228 2.109 10 0 BEAERN C[C@@H]1Cc2c(c(Br)ccc2O)O1 ZINC000616567626 347431465 /nfs/dbraw/zinc/43/14/65/347431465.db2.gz FLFDNTUCKJQCMM-RXMQYKEDSA-N 0 0 229.073 2.478 10 0 BEAERN CSCc1nc2c(c(Cl)n1)CCC2 ZINC000054494291 347434955 /nfs/dbraw/zinc/43/49/55/347434955.db2.gz DWGYOVIQLKKVEJ-UHFFFAOYSA-N 0 0 214.721 2.482 10 0 BEAERN Cc1cccc2nc(-c3ccncc3)c(N)n21 ZINC000036222165 179228607 /nfs/dbraw/zinc/22/86/07/179228607.db2.gz JVAQVPRDEASGRB-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN CCc1cc(Cl)nc(-c2cnn(C)c2)n1 ZINC000036755938 347449388 /nfs/dbraw/zinc/44/93/88/347449388.db2.gz NZGQFAIGZJAJGJ-UHFFFAOYSA-N 0 0 222.679 2.093 10 0 BEAERN CCCC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000058015833 168572689 /nfs/dbraw/zinc/57/26/89/168572689.db2.gz QWFPQVCUFZBAQS-UHFFFAOYSA-N 0 0 226.297 2.073 10 0 BEAERN Cc1onc(-c2ccccc2C)c1CO ZINC000057491508 179239341 /nfs/dbraw/zinc/23/93/41/179239341.db2.gz WTHDAJDWHQSHIY-UHFFFAOYSA-N 0 0 203.241 2.451 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccccc1C ZINC000036938054 179239448 /nfs/dbraw/zinc/23/94/48/179239448.db2.gz MJNKPGOJHNMJAP-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104307064 179248198 /nfs/dbraw/zinc/24/81/98/179248198.db2.gz OHURTXGKQGILCO-FUNVUKJBSA-N 0 0 245.322 2.123 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1n1cccc1C=O ZINC000149791820 347520482 /nfs/dbraw/zinc/52/04/82/347520482.db2.gz GUMWEYSJSSBYSG-PHIMTYICSA-N 0 0 206.289 2.200 10 0 BEAERN C[C@H]1CCC[C@H](C)N1n1cccc1C=O ZINC000149792006 347520573 /nfs/dbraw/zinc/52/05/73/347520573.db2.gz GUMWEYSJSSBYSG-QWRGUYRKSA-N 0 0 206.289 2.200 10 0 BEAERN Cc1ccccc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000051989464 179252681 /nfs/dbraw/zinc/25/26/81/179252681.db2.gz RSJCLAKWHRGYST-QWHCGFSZSA-N 0 0 233.311 2.028 10 0 BEAERN CC(C)(O)c1cnc2cc(N)ccc2c1 ZINC000149941155 347571089 /nfs/dbraw/zinc/57/10/89/347571089.db2.gz WUTBRXNIQXBGDZ-UHFFFAOYSA-N 0 0 202.257 2.044 10 0 BEAERN Fc1c(Cl)nc2ccnn2c1Cl ZINC000149973090 347581358 /nfs/dbraw/zinc/58/13/58/347581358.db2.gz ODSFOBZQPXXYAU-UHFFFAOYSA-N 0 0 206.007 2.175 10 0 BEAERN Cc1ccccc1CCC(=O)Nc1ncc[nH]1 ZINC000104154062 179262425 /nfs/dbraw/zinc/26/24/25/179262425.db2.gz YJTUHMQZUZQKEN-UHFFFAOYSA-N 0 0 229.283 2.289 10 0 BEAERN Cc1ccnc(NC(=O)c2cccc(F)c2N)c1 ZINC000054206853 1172093761 /nfs/dbraw/zinc/09/37/61/1172093761.db2.gz ATENSKGBYZVGSK-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1ccccc1CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000123693464 179266172 /nfs/dbraw/zinc/26/61/72/179266172.db2.gz DTUFOYKITWQZOR-TZMCWYRMSA-N 0 0 247.338 2.221 10 0 BEAERN Cc1ccccc1CCc1nnc([C@@H](C)N)o1 ZINC000011586196 179266642 /nfs/dbraw/zinc/26/66/42/179266642.db2.gz OGAFNKAAZGPIPP-SNVBAGLBSA-N 0 0 231.299 2.183 10 0 BEAERN Cc1ccccc1CCc1nnc(N)s1 ZINC000051985703 179267010 /nfs/dbraw/zinc/26/70/10/179267010.db2.gz LFBAJWWNNFECCE-UHFFFAOYSA-N 0 0 219.313 2.214 10 0 BEAERN Cc1nnc(CN(C)Cc2ccccc2C)n1C ZINC000051380864 179268556 /nfs/dbraw/zinc/26/85/56/179268556.db2.gz XZRIJJUAKKEZHB-UHFFFAOYSA-N 0 0 244.342 2.064 10 0 BEAERN CCc1cc2nc(C3CCC3)nn2c(O)c1 ZINC000725243160 537991712 /nfs/dbraw/zinc/99/17/12/537991712.db2.gz NCIFKXINJDUMBD-UHFFFAOYSA-N 0 0 217.272 2.265 10 0 BEAERN CCCc1nc2cc(CCC)cc(O)n2n1 ZINC000725243277 537992305 /nfs/dbraw/zinc/99/23/05/537992305.db2.gz UMEXRWLKBFPEGE-UHFFFAOYSA-N 0 0 219.288 2.340 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000075529179 347775375 /nfs/dbraw/zinc/77/53/75/347775375.db2.gz JVXKQHBQKORWMD-OIBJUYFYSA-N 0 0 241.237 2.426 10 0 BEAERN Cc1ccccc1CSCC[C@@H]([NH3+])C(=O)[O-] ZINC000028570576 179287314 /nfs/dbraw/zinc/28/73/14/179287314.db2.gz FWEMQWXSSVUTGP-LLVKDONJSA-N 0 0 239.340 2.030 10 0 in-vivo BEAERN CCc1nc2cc(C(F)(F)F)cc([O-])n2n1 ZINC000725243137 537992213 /nfs/dbraw/zinc/99/22/13/537992213.db2.gz LZIAHESCGPLMFV-UHFFFAOYSA-N 0 0 231.177 2.016 10 0 BEAERN Cc1ccccc1Cn1cc(C=O)cn1 ZINC000034926154 179293584 /nfs/dbraw/zinc/29/35/84/179293584.db2.gz CPJDHWQGAMSYJJ-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Cc1ccccc1Cc1nsc(N)n1 ZINC000043560231 179293643 /nfs/dbraw/zinc/29/36/43/179293643.db2.gz MEJWFOOBUBKKLP-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN Cc1ccccc1N[C@@H](C(N)=O)c1cccnc1 ZINC000037942153 179305604 /nfs/dbraw/zinc/30/56/04/179305604.db2.gz ZBTNOPIJKOKKGD-CYBMUJFWSA-N 0 0 241.294 2.029 10 0 BEAERN Cc1ccccc1NC(=O)NN1CCCC1 ZINC000207037225 179300236 /nfs/dbraw/zinc/30/02/36/179300236.db2.gz GJPIOWLTPHOWDK-UHFFFAOYSA-N 0 0 219.288 2.127 10 0 BEAERN Cc1ccccc1N[C@H](C(N)=O)c1cccnc1 ZINC000037942152 179307466 /nfs/dbraw/zinc/30/74/66/179307466.db2.gz ZBTNOPIJKOKKGD-ZDUSSCGKSA-N 0 0 241.294 2.029 10 0 BEAERN Cc1cc(N(C)C(=O)c2ccccc2)n(C)n1 ZINC000196362683 347869864 /nfs/dbraw/zinc/86/98/64/347869864.db2.gz OMDNDGFHVAPBMX-UHFFFAOYSA-N 0 0 229.283 2.005 10 0 BEAERN CCc1nc(F)c2cccc(OC)c2n1 ZINC000616569909 347878421 /nfs/dbraw/zinc/87/84/21/347878421.db2.gz OUJHVKJGJWULCV-UHFFFAOYSA-N 0 0 206.220 2.340 10 0 BEAERN Cc1ccccc1N[C@@]1(CO)CCSC1 ZINC000038112974 179306770 /nfs/dbraw/zinc/30/67/70/179306770.db2.gz MIHLRJURPDHNTI-GFCCVEGCSA-N 0 0 223.341 2.275 10 0 BEAERN Cc1ccccc1Oc1ncnc2[nH]cnc21 ZINC000016758213 179314589 /nfs/dbraw/zinc/31/45/89/179314589.db2.gz LVYGUKJPQKOPQG-UHFFFAOYSA-N 0 0 226.239 2.454 10 0 BEAERN Cc1oc(-c2ccccc2)c(CO)c1CO ZINC000196574357 347934976 /nfs/dbraw/zinc/93/49/76/347934976.db2.gz NRJBPHSDFQGGRZ-UHFFFAOYSA-N 0 0 218.252 2.240 10 0 BEAERN Cc1ccccc1Sc1c[nH]nc1N ZINC000040999525 179316679 /nfs/dbraw/zinc/31/66/79/179316679.db2.gz WCYLGPYWTXJFQC-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN CC(C)Oc1ccc(C(N)=S)cc1F ZINC000036887512 347956379 /nfs/dbraw/zinc/95/63/79/347956379.db2.gz KLXHCHDPOQWVEP-UHFFFAOYSA-N 0 0 213.277 2.247 10 0 BEAERN CNc1ccc2c(c1)oc(=O)n2CC1CC1 ZINC000725244065 537995376 /nfs/dbraw/zinc/99/53/76/537995376.db2.gz NHDMSMODKJZIDV-UHFFFAOYSA-N 0 0 218.256 2.046 10 0 BEAERN Fc1ccccc1NCc1csnn1 ZINC000036901933 347969326 /nfs/dbraw/zinc/96/93/26/347969326.db2.gz FYDSJEXPYKLKBY-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN O=C(Cc1ncc[nH]1)c1ccccc1Cl ZINC000036946623 347984667 /nfs/dbraw/zinc/98/46/67/347984667.db2.gz RMKOGQRITYGMIY-UHFFFAOYSA-N 0 0 220.659 2.489 10 0 BEAERN C=CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037012522 348010302 /nfs/dbraw/zinc/01/03/02/348010302.db2.gz KXXKPDSGQYBHOZ-SFYZADRCSA-N 0 0 221.222 2.410 10 0 BEAERN Cn1cncc1-c1c[nH]c2cnc(F)cc12 ZINC000669381404 537996240 /nfs/dbraw/zinc/99/62/40/537996240.db2.gz ITLWZBUHCWVNNP-UHFFFAOYSA-N 0 0 216.219 2.103 10 0 BEAERN Cc1ccccc1[C@H](C)SC[C@@H](O)CO ZINC000121792572 179341070 /nfs/dbraw/zinc/34/10/70/179341070.db2.gz CCOJYHCFCXXKRE-QWRGUYRKSA-N 0 0 226.341 2.142 10 0 BEAERN CCC(=O)OCCSC(=S)OC(C)C ZINC000196833183 348037540 /nfs/dbraw/zinc/03/75/40/348037540.db2.gz FOPBYEBLKARWCC-UHFFFAOYSA-N 0 0 236.358 2.383 10 0 BEAERN Cc1ccccc1[C@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000037967446 179342997 /nfs/dbraw/zinc/34/29/97/179342997.db2.gz VVOJENAMYBDMDM-LBPRGKRZSA-N 0 0 219.284 2.120 10 0 BEAERN Nc1ccc(SCc2cscn2)cn1 ZINC000037192487 348053130 /nfs/dbraw/zinc/05/31/30/348053130.db2.gz ZPWRIQPCOMJCIJ-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN Nc1cccnc1SCc1cscn1 ZINC000037190874 348060467 /nfs/dbraw/zinc/06/04/67/348060467.db2.gz UOUKTOHSNJJCTI-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN CCN(C)c1nc(C(F)(F)F)ccc1C=O ZINC000669381512 537998271 /nfs/dbraw/zinc/99/82/71/537998271.db2.gz MACKWXCETKXLKS-UHFFFAOYSA-N 0 0 232.205 2.369 10 0 BEAERN Fc1cc2c(-c3cnccn3)c[nH]c2cn1 ZINC000669381505 537998408 /nfs/dbraw/zinc/99/84/08/537998408.db2.gz LSFSDDZWFDTZCK-UHFFFAOYSA-N 0 0 214.203 2.159 10 0 BEAERN O=C1COCCN1c1cc(Cl)cc(Cl)c1 ZINC000725244703 537998557 /nfs/dbraw/zinc/99/85/57/537998557.db2.gz SLSQGTLEQZTJCU-UHFFFAOYSA-N 0 0 246.093 2.357 10 0 BEAERN Cc1cccnc1C(=O)Nc1ccc(N)cc1F ZINC000051790957 179365862 /nfs/dbraw/zinc/36/58/62/179365862.db2.gz ZRBGFOIEZXXMKS-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1cccnc1C(F)(F)C(=O)N[C@@H]1C[C@@H]1C ZINC000194553060 179366217 /nfs/dbraw/zinc/36/62/17/179366217.db2.gz KOYXHKFZLUHNNX-DTWKUNHWSA-N 0 0 240.253 2.006 10 0 BEAERN COC(=O)C(=O)/C=C/c1ccccc1Cl ZINC000203525115 348200113 /nfs/dbraw/zinc/20/01/13/348200113.db2.gz CLUXXBGVAMIESI-VOTSOKGWSA-N 0 0 224.643 2.095 10 0 BEAERN Nc1cnccc1-c1ccc(C=O)c(F)c1 ZINC000616571625 348200671 /nfs/dbraw/zinc/20/06/71/348200671.db2.gz ZPMPITQGHRGNPU-UHFFFAOYSA-N 0 0 216.215 2.282 10 0 BEAERN CC(=O)CCCCNC(=O)c1ccc(C)cc1 ZINC000224361756 348253291 /nfs/dbraw/zinc/25/32/91/348253291.db2.gz QERNKOGGKVKYBH-UHFFFAOYSA-N 0 0 233.311 2.484 10 0 BEAERN CC[C@H](C)[S@@](=O)[C@H]1CCCCC1=O ZINC000251400442 362869182 /nfs/dbraw/zinc/86/91/82/362869182.db2.gz YVQCXPZETAGBQG-GMOODISLSA-N 0 0 202.319 2.045 10 0 BEAERN CCOC1OC(=O)C=C1Cc1ccccc1 ZINC000223328612 348231171 /nfs/dbraw/zinc/23/11/71/348231171.db2.gz PYAIMHPXZOYNNS-CYBMUJFWSA-N 0 0 218.252 2.075 10 0 BEAERN Cc1cccnc1N(C)C(=O)c1ccc(N)cc1 ZINC000095854903 179388936 /nfs/dbraw/zinc/38/89/36/179388936.db2.gz GASFPZMOLAWCDO-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN C[C@H]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000037256772 348293125 /nfs/dbraw/zinc/29/31/25/348293125.db2.gz XPBCUPVLSBPLNO-VHSXEESVSA-N 0 0 207.277 2.020 10 0 BEAERN CCN(c1ncc(Br)cn1)C1CC1 ZINC000082663670 348298716 /nfs/dbraw/zinc/29/87/16/348298716.db2.gz AOHCLZUIWIXFII-UHFFFAOYSA-N 0 0 242.120 2.228 10 0 BEAERN CC[C@H](C)[C@@H](O)[C@H]1CSCCS1 ZINC000251663435 362896108 /nfs/dbraw/zinc/89/61/08/362896108.db2.gz BYAUSGZLBFUUII-DJLDLDEBSA-N 0 0 206.376 2.242 10 0 BEAERN Cc1ccccc1C(=O)Cn1cccn1 ZINC000037340847 348331920 /nfs/dbraw/zinc/33/19/20/348331920.db2.gz ZVNYEUSMTFWONV-UHFFFAOYSA-N 0 0 200.241 2.074 10 0 BEAERN O=C([O-])[C@H](C1CCCCC1)[NH+]1CCCC1 ZINC000037360217 348377084 /nfs/dbraw/zinc/37/70/84/348377084.db2.gz XMYUQXBCWNVDTP-NSHDSACASA-N 0 0 211.305 2.116 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCCCCC2(C)C ZINC000669382106 538003428 /nfs/dbraw/zinc/00/34/28/538003428.db2.gz AFVPRVSBBKKPQL-CABZTGNLSA-N 0 0 212.289 2.287 10 0 BEAERN C[Si](C)(C)CCSCc1nc[nH]n1 ZINC000725245958 538004189 /nfs/dbraw/zinc/00/41/89/538004189.db2.gz OFWAKVMPEAXAPV-UHFFFAOYSA-N 0 0 215.398 2.376 10 0 BEAERN C[C@@H]1SCCC[C@@]1(O)Cc1ccco1 ZINC000130486947 362922926 /nfs/dbraw/zinc/92/29/26/362922926.db2.gz OTSABABOMXVKRI-GXSJLCMTSA-N 0 0 212.314 2.469 10 0 BEAERN COCOc1cnc(Cl)cc1[C@H](O)C(C)C ZINC000725245971 538004905 /nfs/dbraw/zinc/00/49/05/538004905.db2.gz NMHUQOOKQLBFLS-LLVKDONJSA-N 0 0 245.706 2.407 10 0 BEAERN N#[N+][N-]S(=O)(=O)C=Cc1ccccc1 ZINC000205319915 348490459 /nfs/dbraw/zinc/49/04/59/348490459.db2.gz MIYNPRURCJJVIG-VOTSOKGWSA-N 0 0 209.230 2.297 10 0 BEAERN CCCc1nccnc1NCCSC(C)C ZINC000596232567 348463062 /nfs/dbraw/zinc/46/30/62/348463062.db2.gz WAPFOQDMQPMHPH-UHFFFAOYSA-N 0 0 239.388 2.405 10 0 BEAERN CCC(CC)NC(=O)[C@H]1CCCn2ccnc21 ZINC000080473703 535075543 /nfs/dbraw/zinc/07/55/43/535075543.db2.gz MRQWAPMPYONNKY-NSHDSACASA-N 0 0 235.331 2.065 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@H]1CCCC[C@H]12 ZINC000669383059 538006598 /nfs/dbraw/zinc/00/65/98/538006598.db2.gz MGNRVKPYKACDPG-HZQMYPQZSA-N 0 0 230.691 2.074 10 0 BEAERN Cc1ccsc1C(=O)NC1CCC(O)CC1 ZINC000035101145 179536158 /nfs/dbraw/zinc/53/61/58/179536158.db2.gz FJFIFSKBPPMMPI-UHFFFAOYSA-N 0 0 239.340 2.090 10 0 BEAERN N[C@@H](c1cccs1)c1ncccc1F ZINC000131335504 348601801 /nfs/dbraw/zinc/60/18/01/348601801.db2.gz DVWZWWGRXRZMNA-VIFPVBQESA-N 0 0 208.261 2.330 10 0 BEAERN CCCC[C@]1(C)O[C@@]1(CC)C(=O)OC ZINC000669383550 538008876 /nfs/dbraw/zinc/00/88/76/538008876.db2.gz JDSFFQLWSZDLHZ-QWRGUYRKSA-N 0 0 200.278 2.287 10 0 BEAERN CCC[C@]1(C(=O)OCC)OC12CC(SC)C2 ZINC000669383515 538008900 /nfs/dbraw/zinc/00/89/00/538008900.db2.gz SFRUWBNXRXVHGV-QEWOUOOISA-N 0 0 244.356 2.383 10 0 BEAERN CC[C@]1(C)O[C@]1(CC(C)C)C(=O)OC ZINC000669383411 538008199 /nfs/dbraw/zinc/00/81/99/538008199.db2.gz HLXDANZFIMHIMA-WDEREUQCSA-N 0 0 200.278 2.143 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669383177 538009016 /nfs/dbraw/zinc/00/90/16/538009016.db2.gz NZWHDLCGDSPKJP-URPMGSGRSA-N 0 0 230.691 2.074 10 0 BEAERN O=C1OC[C@H]2CCc3ccccc3C=C[C@H]12 ZINC000048522928 348658229 /nfs/dbraw/zinc/65/82/29/348658229.db2.gz OSRNKRFHCGGMKD-OLZOCXBDSA-N 0 0 214.264 2.435 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@H]1CCC[C@H]12 ZINC000669383382 538009302 /nfs/dbraw/zinc/00/93/02/538009302.db2.gz PAFQIXQYXKXJLP-HZQMYPQZSA-N 0 0 230.691 2.074 10 0 BEAERN Cc1nnc(S[C@H]2CCCC[C@@H]2O)s1 ZINC000037491072 348622884 /nfs/dbraw/zinc/62/28/84/348622884.db2.gz DWQOMAVZFOCSKI-YUMQZZPRSA-N 0 0 230.358 2.242 10 0 BEAERN O[C@@H]1CCCC[C@H]1Sc1ccccn1 ZINC000037491045 348623062 /nfs/dbraw/zinc/62/30/62/348623062.db2.gz DRFVRSLJSUBFJC-NXEZZACHSA-N 0 0 209.314 2.477 10 0 BEAERN CCCCn1cc(C=O)c(Br)n1 ZINC000725247095 538010606 /nfs/dbraw/zinc/01/06/06/538010606.db2.gz HAVGXRPWATUDLF-UHFFFAOYSA-N 0 0 231.093 2.258 10 0 BEAERN CCOC(=O)[C@H]1O[C@]1(C)CC1CCCC1 ZINC000669383749 538009828 /nfs/dbraw/zinc/00/98/28/538009828.db2.gz WLRWYSXLALRUFE-ZYHUDNBSSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccc(F)cn2)o1 ZINC000356310279 179654021 /nfs/dbraw/zinc/65/40/21/179654021.db2.gz MXGMCUQJFISSNZ-VIFPVBQESA-N 0 0 235.262 2.368 10 0 BEAERN Nc1cn(Cc2cc(Cl)ccc2F)cn1 ZINC000725247289 538010925 /nfs/dbraw/zinc/01/09/25/538010925.db2.gz HBIOQMUEWFWIHT-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN COc1ccccc1[C@]1(O)CCCSC1 ZINC000084423273 348809041 /nfs/dbraw/zinc/80/90/41/348809041.db2.gz NAYPORNQOHCVIO-LBPRGKRZSA-N 0 0 224.325 2.410 10 0 BEAERN CCOC(=O)[C@H](CC(=O)C(C)C)C(=O)C(C)C ZINC000725247989 538013198 /nfs/dbraw/zinc/01/31/98/538013198.db2.gz GMUJCXSJBFXRKO-SNVBAGLBSA-N 0 0 242.315 2.006 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCCCC[C@H]2C ZINC000669383609 538012114 /nfs/dbraw/zinc/01/21/14/538012114.db2.gz TYCAZBPUZYGZDD-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN CCC[C@]1(CC)O[C@@]1(CC)C(=O)OC ZINC000669384322 538014827 /nfs/dbraw/zinc/01/48/27/538014827.db2.gz SVFDZQRVCOZILG-QWRGUYRKSA-N 0 0 200.278 2.287 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCC21CCCC1 ZINC000669384605 538017422 /nfs/dbraw/zinc/01/74/22/538017422.db2.gz YRGXWKKNHGFUBX-MNOVXSKESA-N 0 0 230.691 2.218 10 0 BEAERN CC1CCC(n2cc(N)ccc2=O)CC1 ZINC000725248470 538016333 /nfs/dbraw/zinc/01/63/33/538016333.db2.gz CXLVJDXXMXEIFY-UHFFFAOYSA-N 0 0 206.289 2.182 10 0 BEAERN CC[C@H](C)CNc1noc2c1CCOC2 ZINC000669384709 538016773 /nfs/dbraw/zinc/01/67/73/538016773.db2.gz BXJYRXSOGZULFM-QMMMGPOBSA-N 0 0 210.277 2.205 10 0 BEAERN CC[C@H](C)[C@@H](C)n1cc(N)c(C)cc1=O ZINC000725249279 538019785 /nfs/dbraw/zinc/01/97/85/538019785.db2.gz XHWATRNTHYTCPM-WCBMZHEXSA-N 0 0 208.305 2.346 10 0 BEAERN OCCC1(CNc2ccncc2Cl)CC1 ZINC000133015818 538020285 /nfs/dbraw/zinc/02/02/85/538020285.db2.gz HRNXOWNBCLJBRM-UHFFFAOYSA-N 0 0 226.707 2.310 10 0 BEAERN Cc1cnn(Cc2c(F)cccc2F)c1N ZINC000034964037 179742386 /nfs/dbraw/zinc/74/23/86/179742386.db2.gz PSPDOBVFXGMKES-UHFFFAOYSA-N 0 0 223.226 2.100 10 0 BEAERN Cc1cnn(Cc2ccc(Cl)c(N)c2)c1 ZINC000037676908 179743251 /nfs/dbraw/zinc/74/32/51/179743251.db2.gz PUOBCYDEQNEEMH-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CC1(CCCn2ccc(=O)c(N)c2)CC1 ZINC000725249960 538023447 /nfs/dbraw/zinc/02/34/47/538023447.db2.gz NYXXXZKVGLBTPP-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN CCc1ccccc1Cn1ccc(N)n1 ZINC000725250018 538023480 /nfs/dbraw/zinc/02/34/80/538023480.db2.gz QKZGHAWTAQDRSY-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN COC(=O)c1cc(F)c2c(c1F)CCCN2 ZINC000616574785 349081003 /nfs/dbraw/zinc/08/10/03/349081003.db2.gz YEPQGOOYFAPQEY-UHFFFAOYSA-N 0 0 227.210 2.110 10 0 BEAERN CCOc1ccc(OC(F)(F)F)cc1C(N)=O ZINC000616575266 349089869 /nfs/dbraw/zinc/08/98/69/349089869.db2.gz BMONGOCVDVOLJC-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CC1(CCNc2ccsc2)OCCO1 ZINC000616575630 349093091 /nfs/dbraw/zinc/09/30/91/349093091.db2.gz BZPIDCFXPCJYDB-UHFFFAOYSA-N 0 0 213.302 2.313 10 0 BEAERN CCOc1ccc(CO)cc1OC(F)(F)F ZINC000616575831 349094450 /nfs/dbraw/zinc/09/44/50/349094450.db2.gz GVKABWYMHYANHU-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CC(=O)c1ccc(OC(F)(F)F)c(O)c1 ZINC000616575802 349094534 /nfs/dbraw/zinc/09/45/34/349094534.db2.gz FUFVGZPLMOOFFL-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN CC(=O)c1cccc(O)c1OC(F)(F)F ZINC000616575786 349094563 /nfs/dbraw/zinc/09/45/63/349094563.db2.gz FLCJEZCXSIEPEN-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN CC[C@H](C)[C@H](O)CNC(=O)N[C@H](C)C(C)(C)C ZINC000246864744 349108043 /nfs/dbraw/zinc/10/80/43/349108043.db2.gz RWEKMCXCYCGRFD-HBNTYKKESA-N 0 0 244.379 2.127 10 0 BEAERN C[C@@H](O)c1nc(Br)ccc1F ZINC000209635543 349062269 /nfs/dbraw/zinc/06/22/69/349062269.db2.gz ZQYWYNROVIVJQA-SCSAIBSYSA-N 0 0 220.041 2.037 10 0 BEAERN C=CC(=O)Nc1c(C)ccnc1Br ZINC000616577392 349113982 /nfs/dbraw/zinc/11/39/82/349113982.db2.gz VUSBEMHNNCGQNQ-UHFFFAOYSA-N 0 0 241.088 2.277 10 0 BEAERN CCc1cccc(C(N)=O)c1OC(F)(F)F ZINC000616579241 349137406 /nfs/dbraw/zinc/13/74/06/349137406.db2.gz IZNUGIFMKWLTTO-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN Cc1csc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000293573607 179764015 /nfs/dbraw/zinc/76/40/15/179764015.db2.gz ANCDPCVHLCSRBM-UWVGGRQHSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1csc(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000294986966 179764289 /nfs/dbraw/zinc/76/42/89/179764289.db2.gz OGAPQKUSEMDBFV-UWVGGRQHSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1cccc(S(=O)(=O)c2cccc(N)c2)c1 ZINC000142742972 349176883 /nfs/dbraw/zinc/17/68/83/349176883.db2.gz ULOZJEXDZIOFHQ-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN Cc1cnn(CCCOc2ccc(C=O)cc2)c1 ZINC000616579507 349164697 /nfs/dbraw/zinc/16/46/97/349164697.db2.gz RGTXMLGAXMCIJJ-UHFFFAOYSA-N 0 0 244.294 2.473 10 0 BEAERN CCOC(=O)/C=C(\C)NC(=O)Nc1ccccc1 ZINC000210419344 349165325 /nfs/dbraw/zinc/16/53/25/349165325.db2.gz APMNCQGFQHXUQN-MDZDMXLPSA-N 0 0 248.282 2.275 10 0 BEAERN N#Cc1cc(C#N)c(Br)cc1F ZINC000059518867 349225326 /nfs/dbraw/zinc/22/53/26/349225326.db2.gz MPRPOFRVFGICJX-UHFFFAOYSA-N 0 0 225.020 2.332 10 0 BEAERN Cc1n[nH]cc1CNc1cccnc1Cl ZINC000036982988 179859477 /nfs/dbraw/zinc/85/94/77/179859477.db2.gz IGUCTTKSROTEAG-UHFFFAOYSA-N 0 0 222.679 2.379 10 0 BEAERN F[C@@H]1COC[C@H]1n1cnc(Cl)c1Cl ZINC000616581325 349263798 /nfs/dbraw/zinc/26/37/98/349263798.db2.gz NTKXODXYHXZDLN-RFZPGFLSSA-N 0 0 225.050 2.099 10 0 BEAERN COc1ccc(CNc2cn(C)nc2C)cc1O ZINC000020352831 190982137 /nfs/dbraw/zinc/98/21/37/190982137.db2.gz DUWOKEGLRWLTFS-UHFFFAOYSA-N 0 0 247.298 2.055 10 0 BEAERN CCOC(=O)/C=C/c1cc(C)ccc1N ZINC000309001154 349268076 /nfs/dbraw/zinc/26/80/76/349268076.db2.gz RSFRBHFNUZTFPC-FNORWQNLSA-N 0 0 205.257 2.154 10 0 BEAERN OC1(CN2CCCc3ccccc32)CCC1 ZINC000221670913 349273126 /nfs/dbraw/zinc/27/31/26/349273126.db2.gz HLWZPUWGRVYARY-UHFFFAOYSA-N 0 0 217.312 2.354 10 0 BEAERN CC(C)(C)N1c2ccccc2NC[C@H]1CO ZINC000616583301 349307562 /nfs/dbraw/zinc/30/75/62/349307562.db2.gz BYIQOMOBUOJDRT-JTQLQIEISA-N 0 0 220.316 2.078 10 0 BEAERN CC(=O)Oc1ccc2c(c1)[C@@H]1CCCC[C@]21O ZINC000256433524 349395085 /nfs/dbraw/zinc/39/50/85/349395085.db2.gz NFCUWWAPTUABEO-GXTWGEPZSA-N 0 0 232.279 2.471 10 0 BEAERN Cn1ncc(N)c1-c1ccc(Cl)s1 ZINC000084479750 538044177 /nfs/dbraw/zinc/04/41/77/538044177.db2.gz IIHKHQMJBZHHHE-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN COc1cc(CO)cc(F)c1Br ZINC000216947278 350024706 /nfs/dbraw/zinc/02/47/06/350024706.db2.gz BXXCSQZWWUJHOJ-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1nc([C@H]2CCOC2)nc(Cl)c1C ZINC000051691310 350049280 /nfs/dbraw/zinc/04/92/80/350049280.db2.gz FZGJPWQQVIILSL-QMMMGPOBSA-N 0 0 212.680 2.251 10 0 BEAERN CCOC(=O)C(C)(C)[C@]1(O)CC[C@@H](C)C1 ZINC000070766931 350058650 /nfs/dbraw/zinc/05/86/50/350058650.db2.gz OTCVEBBINGITSH-SKDRFNHKSA-N 0 0 214.305 2.127 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C)(O)C1 ZINC000217776329 350072241 /nfs/dbraw/zinc/07/22/41/350072241.db2.gz MMMVAIAUVIUSBN-BXKDBHETSA-N 0 0 229.320 2.205 10 0 BEAERN Cc1nc([C@@H](C)NCc2ccc(=O)[nH]c2)cs1 ZINC000392858380 350108251 /nfs/dbraw/zinc/10/82/51/350108251.db2.gz SQALJOQOFJUFTK-MRVPVSSYSA-N 0 0 249.339 2.403 10 0 BEAERN Cc1nc(N)sc1S[C@@H]1CCCC[C@@H]1O ZINC000037691850 180000745 /nfs/dbraw/zinc/00/07/45/180000745.db2.gz NOUCJZOFHAXGLB-JGVFFNPUSA-N 0 0 244.385 2.429 10 0 BEAERN Cc1nc(N)sc1S[C@@H]1CCC[C@H]1O ZINC000037690547 180001611 /nfs/dbraw/zinc/00/16/11/180001611.db2.gz PWAYKKZQHNMLKR-RNFRBKRXSA-N 0 0 230.358 2.039 10 0 BEAERN Cc1nc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)n[nH]1 ZINC000163784434 180012492 /nfs/dbraw/zinc/01/24/92/180012492.db2.gz ZWMDRJOHYVEQIQ-WDEREUQCSA-N 0 0 248.330 2.268 10 0 BEAERN CC(=O)c1cnn(CCOCc2ccccc2)c1 ZINC000390796352 350097552 /nfs/dbraw/zinc/09/75/52/350097552.db2.gz JSDDFXCRNVDWPF-UHFFFAOYSA-N 0 0 244.294 2.303 10 0 BEAERN Cc1nc([C@@H](N)c2ccc(OC(C)C)cc2)no1 ZINC000037742894 180039979 /nfs/dbraw/zinc/03/99/79/180039979.db2.gz KPODAWCFYVELCZ-LBPRGKRZSA-N 0 0 247.298 2.213 10 0 BEAERN Cc1nc([C@]2(N)CCCCc3ccccc32)no1 ZINC000036762476 180059487 /nfs/dbraw/zinc/05/94/87/180059487.db2.gz CMEAQXNKWJZMKA-AWEZNQCLSA-N 0 0 243.310 2.307 10 0 BEAERN Cc1nc2[nH]c(=O)ccc2cc1-c1ccncc1 ZINC000000018358 180059608 /nfs/dbraw/zinc/05/96/08/180059608.db2.gz PDHWQFFIZMPFSJ-UHFFFAOYSA-N 0 0 237.262 2.294 10 0 BEAERN Cc1nc2c(ccnc2Br)n1C ZINC000082360178 180062284 /nfs/dbraw/zinc/06/22/84/180062284.db2.gz OWVFMYJNOHEBLO-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN C[C@@H](N[S@](=O)C(C)(C)C)C1CCC1 ZINC000219337116 350122801 /nfs/dbraw/zinc/12/28/01/350122801.db2.gz WZZOKLRAFDPKGH-AMIZOPFISA-N 0 0 203.351 2.227 10 0 BEAERN Cn1ncc2c1nc(C1CCCC1)cc2N ZINC000725255661 538052864 /nfs/dbraw/zinc/05/28/64/538052864.db2.gz HMIZNUZMIXMIRE-UHFFFAOYSA-N 0 0 216.288 2.208 10 0 BEAERN Cc1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2o1 ZINC000009388449 180081483 /nfs/dbraw/zinc/08/14/83/180081483.db2.gz MORMPDRSXBWUMX-LBPRGKRZSA-N 0 0 246.266 2.254 10 0 BEAERN Cc1nc2cc(NCc3ccnn3C)ccc2o1 ZINC000036901241 180083062 /nfs/dbraw/zinc/08/30/62/180083062.db2.gz BPZUIMPAYQZBDM-UHFFFAOYSA-N 0 0 242.282 2.482 10 0 BEAERN Cc1nc2ccc(Cl)cn2c1[C@@H](C)O ZINC000031920168 180091052 /nfs/dbraw/zinc/09/10/52/180091052.db2.gz QRTNAVFLXQAHDU-SSDOTTSWSA-N 0 0 210.664 2.349 10 0 BEAERN CCCCSc1nnc(N)n1C(C)C ZINC000057949974 350140149 /nfs/dbraw/zinc/14/01/49/350140149.db2.gz DJFUMYXNURHABG-UHFFFAOYSA-N 0 0 214.338 2.333 10 0 BEAERN C[C@H](C[C@@H]1CCCO1)NC(=O)NC(C)(C)C ZINC000132737935 191035125 /nfs/dbraw/zinc/03/51/25/191035125.db2.gz CAAXTDRMYFZXGP-ZJUUUORDSA-N 0 0 228.336 2.042 10 0 BEAERN Cc1nc2n(c1Br)CCCC2 ZINC000049815748 180109685 /nfs/dbraw/zinc/10/96/85/180109685.db2.gz GSIJQBIKDGLFAC-UHFFFAOYSA-N 0 0 215.094 2.290 10 0 BEAERN CC(=O)CCc1ccc(O[C@@H](C)[C@H](C)O)cc1 ZINC000094654085 191049014 /nfs/dbraw/zinc/04/90/14/191049014.db2.gz NGVNGOBBKXMTND-RYUDHWBXSA-N 0 0 236.311 2.356 10 0 BEAERN Cc1nc2ncc(Br)nc2s1 ZINC000038540792 180113877 /nfs/dbraw/zinc/11/38/77/180113877.db2.gz CYGQNATXHJNJTD-UHFFFAOYSA-N 0 0 230.090 2.157 10 0 BEAERN Cc1nc2cccc(Cl)n2c1[C@H](C)O ZINC000074375202 180099549 /nfs/dbraw/zinc/09/95/49/180099549.db2.gz LBHVXOGZKZRPRI-ZETCQYMHSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nc2ccccc2c2oc(C(N)=O)cc21 ZINC000049453245 180102016 /nfs/dbraw/zinc/10/20/16/180102016.db2.gz HXIGXXGVAHUPCI-UHFFFAOYSA-N 0 0 226.235 2.388 10 0 BEAERN Cc1nc2ccccc2n1Cc1nccn1C ZINC000075973120 180102928 /nfs/dbraw/zinc/10/29/28/180102928.db2.gz UXRANMVGEYPWMJ-UHFFFAOYSA-N 0 0 226.283 2.127 10 0 BEAERN O=C1OCC(CCOCc2ccccc2)CO1 ZINC000034457911 350171549 /nfs/dbraw/zinc/17/15/49/350171549.db2.gz HVLPKDVLGAJSQU-UHFFFAOYSA-N 0 0 236.267 2.376 10 0 BEAERN CN1c2ccc(Cl)cc2C(Cl)=NCC1=O ZINC000039209000 350174327 /nfs/dbraw/zinc/17/43/27/350174327.db2.gz KZSORONFJRGEQN-UHFFFAOYSA-N 0 0 243.093 2.302 10 0 BEAERN Cc1nc[nH]c1CNc1ccc(O)cc1 ZINC000054796174 180121040 /nfs/dbraw/zinc/12/10/40/180121040.db2.gz MFUZREYQMQSKEP-UHFFFAOYSA-N 0 0 203.245 2.036 10 0 BEAERN Cc1nc[nH]c1CNc1cccc(O)c1 ZINC000054794348 180121726 /nfs/dbraw/zinc/12/17/26/180121726.db2.gz UVLSNTBFJZHMJI-UHFFFAOYSA-N 0 0 203.245 2.036 10 0 BEAERN CC(=O)c1c2cnn(C(C)=O)c2ccc1C ZINC000097757726 191060216 /nfs/dbraw/zinc/06/02/16/191060216.db2.gz UVWPHUXOTYCBCB-UHFFFAOYSA-N 0 0 216.240 2.207 10 0 BEAERN Cc1ncc(CN[C@@H](C)c2cc[nH]n2)s1 ZINC000040997854 180154563 /nfs/dbraw/zinc/15/45/63/180154563.db2.gz MIJSYHBQYRDHLE-ZETCQYMHSA-N 0 0 222.317 2.025 10 0 BEAERN CCOC(=O)c1cc2ccc(C)cc2oc1=O ZINC000150326022 350194376 /nfs/dbraw/zinc/19/43/76/350194376.db2.gz YOTZRYLSZLYWDJ-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN Cc1ncc(N)cc1C(=O)NC1CCCCC1 ZINC000038094777 180164623 /nfs/dbraw/zinc/16/46/23/180164623.db2.gz ZMRWMBVFBVGBPZ-UHFFFAOYSA-N 0 0 233.315 2.035 10 0 BEAERN CC(C)C[C@@H](C)C(=O)N1CCCC[C@H](CO)C1 ZINC000363787981 191066724 /nfs/dbraw/zinc/06/67/24/191066724.db2.gz KKCPYIYUFHMHPZ-OLZOCXBDSA-N 0 0 241.375 2.290 10 0 BEAERN Cc1ncc2c(Br)c(N)sc2n1 ZINC000096985959 180175453 /nfs/dbraw/zinc/17/54/53/180175453.db2.gz INXBEBVTRSOKGY-UHFFFAOYSA-N 0 0 244.117 2.344 10 0 BEAERN Cc1ncc(NC(=O)N[C@H]2C[C@H]2C)c(C2CC2)n1 ZINC000333407093 180168208 /nfs/dbraw/zinc/16/82/08/180168208.db2.gz FWDSDZXBJJSGDG-XCBNKYQSSA-N 0 0 246.314 2.192 10 0 BEAERN CCCCC(=O)NC(=S)N1CCC(C)CC1 ZINC000039351805 168617731 /nfs/dbraw/zinc/61/77/31/168617731.db2.gz VAEVQLNFWHDQHA-UHFFFAOYSA-N 0 0 242.388 2.310 10 0 BEAERN Cc1nc([C@H](C)Nc2ccnc(C)n2)cs1 ZINC000336776261 180182117 /nfs/dbraw/zinc/18/21/17/180182117.db2.gz FHQTWSHZRHBRPD-ZETCQYMHSA-N 0 0 234.328 2.145 10 0 BEAERN Cc1nccn1-c1cc(Br)ccn1 ZINC000044118430 180229168 /nfs/dbraw/zinc/22/91/68/180229168.db2.gz VHPUDKRBCGPDJQ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN C[C@@H]1CC[C@H](O)CCN1C(=O)OC(C)(C)C ZINC000222931224 350256607 /nfs/dbraw/zinc/25/66/07/350256607.db2.gz LOOUDFIZGQFPMA-ZJUUUORDSA-N 0 0 229.320 2.157 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000075982633 350249721 /nfs/dbraw/zinc/24/97/21/350249721.db2.gz LSTBAEGAWHXSOJ-CABZTGNLSA-N 0 0 236.290 2.376 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000075982632 350250038 /nfs/dbraw/zinc/25/00/38/350250038.db2.gz LSTBAEGAWHXSOJ-SKDRFNHKSA-N 0 0 236.290 2.376 10 0 BEAERN C[C@H](CO)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000034300033 350263229 /nfs/dbraw/zinc/26/32/29/350263229.db2.gz KDHDSUYFZFALFK-HNCHTBHHSA-N 0 0 210.317 2.400 10 0 BEAERN Cc1nccn1CCOc1ccc([C@@H](C)O)cc1 ZINC000049330906 180263656 /nfs/dbraw/zinc/26/36/56/180263656.db2.gz RIWZQDMFXRPKJQ-LLVKDONJSA-N 0 0 246.310 2.324 10 0 BEAERN CCCc1nsc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000083653115 350271756 /nfs/dbraw/zinc/27/17/56/350271756.db2.gz QQQAKERUFLTLPY-DTWKUNHWSA-N 0 0 241.360 2.470 10 0 BEAERN Cc1ncn([C@H]2Cc3ccccc3[C@@H]2O)c1C ZINC000051927894 180289422 /nfs/dbraw/zinc/28/94/22/180289422.db2.gz YXPXYDNEAZVGAM-KBPBESRZSA-N 0 0 228.295 2.331 10 0 BEAERN O=Cc1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053669 350300194 /nfs/dbraw/zinc/30/01/94/350300194.db2.gz QAUKMQWKBFRMOI-UHFFFAOYSA-N 0 0 224.622 2.477 10 0 BEAERN Cc1ncn(Cc2nc(N)ccc2Cl)c1C ZINC000061639741 180289925 /nfs/dbraw/zinc/28/99/25/180289925.db2.gz FZKKWOUYLOAMML-UHFFFAOYSA-N 0 0 236.706 2.179 10 0 BEAERN Oc1ccc(S[C@@H]2CCC[C@H]2O)cc1 ZINC000038078943 350305459 /nfs/dbraw/zinc/30/54/59/350305459.db2.gz VPXWPXKMPGJCKX-GHMZBOCLSA-N 0 0 210.298 2.398 10 0 BEAERN COc1cc([C@@H](C)O)cc(Cl)c1OC ZINC000037895531 350290829 /nfs/dbraw/zinc/29/08/29/350290829.db2.gz SVDVSPGNBRTKHY-ZCFIWIBFSA-N 0 0 216.664 2.411 10 0 BEAERN Cc1ncsc1CN(C)C(=O)N[C@@H]1C[C@@H]1C ZINC000171760877 180312896 /nfs/dbraw/zinc/31/28/96/180312896.db2.gz HRULCJCWEWOQFN-IONNQARKSA-N 0 0 239.344 2.001 10 0 BEAERN Cc1ncoc1-c1nc2cc(N)ccc2o1 ZINC000082370571 180298206 /nfs/dbraw/zinc/29/82/06/180298206.db2.gz ABSDEEIDGBWVAG-UHFFFAOYSA-N 0 0 215.212 2.373 10 0 BEAERN Cc1ncsc1C(=O)Nc1ccccc1N ZINC000019411133 180306681 /nfs/dbraw/zinc/30/66/81/180306681.db2.gz SELOCOBWTQYSEL-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN OC1(C(F)(F)Br)CCCC1 ZINC000225637160 350369031 /nfs/dbraw/zinc/36/90/31/350369031.db2.gz JQTKHIBQFQJXGM-UHFFFAOYSA-N 0 0 215.037 2.279 10 0 BEAERN Cc1ncsc1CCN1[C@@H](C)COC[C@@H]1C ZINC000172668946 180309287 /nfs/dbraw/zinc/30/92/87/180309287.db2.gz SGMMAMQGWCSAGP-UWVGGRQHSA-N 0 0 240.372 2.103 10 0 BEAERN Cc1ncsc1CCOc1ccncc1N ZINC000020370794 180310266 /nfs/dbraw/zinc/31/02/66/180310266.db2.gz BWZCYFQPMAFRJR-UHFFFAOYSA-N 0 0 235.312 2.050 10 0 BEAERN Cc1ncsc1[C@@H](C)Nc1cn[nH]c1 ZINC000037261001 180326989 /nfs/dbraw/zinc/32/69/89/180326989.db2.gz XARFXMNRVGSMAD-SSDOTTSWSA-N 0 0 208.290 2.348 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCC[C@H]1CCCO ZINC000069688468 350374845 /nfs/dbraw/zinc/37/48/45/350374845.db2.gz ARVMNPYBJPCQQL-RYUDHWBXSA-N 0 0 227.348 2.042 10 0 BEAERN Cc1nn(-c2ccccc2N)c(C)c1C ZINC000040728510 180330831 /nfs/dbraw/zinc/33/08/31/180330831.db2.gz GWCXBZYFBQSGBG-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN CCc1cc(N[C@@H](C)[C@H]2CCCO2)ncn1 ZINC000040765115 350394480 /nfs/dbraw/zinc/39/44/80/350394480.db2.gz VJLWXXVVJOQHQW-GXSJLCMTSA-N 0 0 221.304 2.018 10 0 BEAERN CCc1cc(N[C@H](C)[C@H]2CCCO2)ncn1 ZINC000040765116 350394580 /nfs/dbraw/zinc/39/45/80/350394580.db2.gz VJLWXXVVJOQHQW-MWLCHTKSSA-N 0 0 221.304 2.018 10 0 BEAERN CCc1cc(N[C@H](C)[C@@H]2CCCO2)ncn1 ZINC000040765114 350394604 /nfs/dbraw/zinc/39/46/04/350394604.db2.gz VJLWXXVVJOQHQW-KOLCDFICSA-N 0 0 221.304 2.018 10 0 BEAERN Cc1nn(C)c(O[C@H]2CCCC[C@@H]2C)c1N ZINC000036749533 180360123 /nfs/dbraw/zinc/36/01/23/180360123.db2.gz NCIBNCXGXAGONU-WPRPVWTQSA-N 0 0 223.320 2.268 10 0 BEAERN Cc1nn(C)c(N(C)C2CCCCC2)c1N ZINC000036748931 180351922 /nfs/dbraw/zinc/35/19/22/180351922.db2.gz OTGIDJYPSOKQKM-UHFFFAOYSA-N 0 0 222.336 2.080 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H]2CCCC[C@@H]2C)c1N ZINC000042603234 180353701 /nfs/dbraw/zinc/35/37/01/180353701.db2.gz QJRKKVCXBOKFKX-GXSJLCMTSA-N 0 0 236.363 2.326 10 0 BEAERN Cc1nn(C)c(N)c1Sc1ccc(N)cc1 ZINC000036948419 180354870 /nfs/dbraw/zinc/35/48/70/180354870.db2.gz XJVMLWJRHZJFGP-UHFFFAOYSA-N 0 0 234.328 2.044 10 0 BEAERN Cc1nn(C)c(NC2CCCCC2)c1N ZINC000036749014 180358452 /nfs/dbraw/zinc/35/84/52/180358452.db2.gz QPLBLLPNGDYMMF-UHFFFAOYSA-N 0 0 208.309 2.055 10 0 BEAERN Cc1nn(C)c(OC2CCCCCC2)c1N ZINC000040227770 180359414 /nfs/dbraw/zinc/35/94/14/180359414.db2.gz ZSCZZMWPPHXYQK-UHFFFAOYSA-N 0 0 223.320 2.412 10 0 BEAERN Cc1nn(C)c(OCc2ccccc2)c1C=O ZINC000026513539 180359646 /nfs/dbraw/zinc/35/96/46/180359646.db2.gz BHLPTJOOSXVWMX-UHFFFAOYSA-N 0 0 230.267 2.120 10 0 BEAERN CC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H]1C(=O)[O-] ZINC000251859460 362956444 /nfs/dbraw/zinc/95/64/44/362956444.db2.gz SPUJASWARSQWRJ-VWYCJHECSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1ccc2ncnc(-n3ccnc3)c2c1 ZINC000032540906 350426581 /nfs/dbraw/zinc/42/65/81/350426581.db2.gz YWIYSPCADHXTKF-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN Cc1nn(C)c(Oc2ccc(F)c(F)c2)c1N ZINC000036749761 180362396 /nfs/dbraw/zinc/36/23/96/180362396.db2.gz CCDOLRRYTXUGMT-UHFFFAOYSA-N 0 0 239.225 2.381 10 0 BEAERN Cc1nn(C)c2sc(C(=O)N[C@H]3C[C@H]3C)cc12 ZINC000075520765 180365147 /nfs/dbraw/zinc/36/51/47/180365147.db2.gz WCUPRGXWNIHNIP-MUWHJKNJSA-N 0 0 249.339 2.081 10 0 BEAERN CCOC(=O)c1ccc(F)c(OC)c1F ZINC000034632929 350472231 /nfs/dbraw/zinc/47/22/31/350472231.db2.gz WRRLHRBKCOUTAW-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN Cc1nn(C)cc1NCc1ccsc1 ZINC000020351679 180377783 /nfs/dbraw/zinc/37/77/83/180377783.db2.gz YGWFIOFBYWLAJF-UHFFFAOYSA-N 0 0 207.302 2.402 10 0 BEAERN O=Cc1cn(CCF)nc1-c1ccsc1 ZINC000409437330 350480407 /nfs/dbraw/zinc/48/04/07/350480407.db2.gz GCVORARSWBIAHO-UHFFFAOYSA-N 0 0 224.260 2.394 10 0 BEAERN CC(C)n1c(=O)[nH]c(=S)cc1-c1cccnc1 ZINC000409437343 350481482 /nfs/dbraw/zinc/48/14/82/350481482.db2.gz FQTKNFNJABNYJO-UHFFFAOYSA-N 0 0 247.323 2.175 10 0 BEAERN CC(C)Cc1[nH]nc(C2CCC2)c1CO ZINC000409439959 350482065 /nfs/dbraw/zinc/48/20/65/350482065.db2.gz LDNRDOQQSNQOGO-UHFFFAOYSA-N 0 0 208.305 2.368 10 0 BEAERN Cc1nn([C@@H](C)c2ccccn2)c(N)c1Cl ZINC000043667449 180392163 /nfs/dbraw/zinc/39/21/63/180392163.db2.gz YDWKTOZAWRHXBH-QMMMGPOBSA-N 0 0 236.706 2.431 10 0 BEAERN Cc1nn([C@@H]2CCCSC2)c(N)c1Cl ZINC000061589776 180392654 /nfs/dbraw/zinc/39/26/54/180392654.db2.gz MCNXNQAUHVYPPD-SSDOTTSWSA-N 0 0 231.752 2.495 10 0 BEAERN CCN(CC)c1ccc2c(c1)OC[C@@H]2C(=O)OC ZINC000725266153 538094048 /nfs/dbraw/zinc/09/40/48/538094048.db2.gz QJYGNVFFCBPHMO-LBPRGKRZSA-N 0 0 249.310 2.182 10 0 BEAERN Cc1nnc(-c2csc(N)n2)n1C1CCCC1 ZINC000055189614 180396522 /nfs/dbraw/zinc/39/65/22/180396522.db2.gz DCEXNOCSGXZLNT-UHFFFAOYSA-N 0 0 249.343 2.407 10 0 BEAERN N#Cc1cc(C=O)ccc1OC(F)(F)F ZINC000060041608 350497194 /nfs/dbraw/zinc/49/71/94/350497194.db2.gz KJRGNMKBDMGIMC-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN Cc1nn2cc(Br)cnc2c1C ZINC000082360179 180395256 /nfs/dbraw/zinc/39/52/56/180395256.db2.gz CCXISHMEEJJMSC-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN Cc1nn(C[C@@H](O)c2cccc(N)c2)c(C)c1C ZINC000051327355 180391032 /nfs/dbraw/zinc/39/10/32/180391032.db2.gz HUCJJSMYTIITMD-CQSZACIVSA-N 0 0 245.326 2.124 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1[C@@H]1C[C@H]2C[C@H]2C1 ZINC000725266293 538094995 /nfs/dbraw/zinc/09/49/95/538094995.db2.gz DTNMBVGVGFHXLM-AYMMMOKOSA-N 0 0 249.314 2.274 10 0 BEAERN CNc1nc([C@H]2SCCS[C@@H]2C)ns1 ZINC000228193845 350532989 /nfs/dbraw/zinc/53/29/89/350532989.db2.gz LGTHDQULTDTLCZ-RITPCOANSA-N 0 0 247.414 2.489 10 0 BEAERN CCc1ccc(CC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000163438773 350522222 /nfs/dbraw/zinc/52/22/22/350522222.db2.gz REMOODWFWZXLOX-GXFFZTMASA-N 0 0 217.312 2.316 10 0 BEAERN COC[C@H]1CNc2ccc(Cl)cc2N1 ZINC000228432684 350541710 /nfs/dbraw/zinc/54/17/10/350541710.db2.gz WTKINSQFJZGESC-MRVPVSSYSA-N 0 0 212.680 2.192 10 0 BEAERN O=C(CSCCO)c1ccccc1Cl ZINC000037352854 362967174 /nfs/dbraw/zinc/96/71/74/362967174.db2.gz HSNKXWJVQQRVKE-UHFFFAOYSA-N 0 0 230.716 2.248 10 0 BEAERN CSc1ccc(C(=O)CSCCO)cc1 ZINC000037352840 362967322 /nfs/dbraw/zinc/96/73/22/362967322.db2.gz QRPMLHBBQJKXKH-UHFFFAOYSA-N 0 0 242.365 2.317 10 0 BEAERN CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](C)C[C@@H]1C ZINC000222223405 350561966 /nfs/dbraw/zinc/56/19/66/350561966.db2.gz CZEPTQMUBXWUEI-SCVCMEIPSA-N 0 0 213.321 2.264 10 0 BEAERN CC(=O)NCCn1cccc1-c1ccccc1 ZINC000138410839 191110489 /nfs/dbraw/zinc/11/04/89/191110489.db2.gz DIBKNTYAWRSTMR-UHFFFAOYSA-N 0 0 228.295 2.291 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H](CC)CC(F)F ZINC000725266632 538096523 /nfs/dbraw/zinc/09/65/23/538096523.db2.gz XCURYZHFDGZEBG-LURJTMIESA-N 0 0 247.245 2.130 10 0 BEAERN Clc1nccc(Sc2ncc[nH]2)n1 ZINC000230148433 350596062 /nfs/dbraw/zinc/59/60/62/350596062.db2.gz LLHJPRSXEJTLMK-UHFFFAOYSA-N 0 0 212.665 2.004 10 0 BEAERN CNCc1noc([C@H]2CCCc3ccccc32)n1 ZINC000054669683 1172132482 /nfs/dbraw/zinc/13/24/82/1172132482.db2.gz OKNIAZYCEASEKX-LBPRGKRZSA-N 0 0 243.310 2.257 10 0 BEAERN Cc1ccccc1[C@H]1CC(=O)NCCS1 ZINC000231561937 350630459 /nfs/dbraw/zinc/63/04/59/350630459.db2.gz JRAOKGPXIYSLQT-LLVKDONJSA-N 0 0 221.325 2.289 10 0 BEAERN CC[C@@H](Nc1cccc([C@@H](C)OC)c1)C(N)=O ZINC000112541870 350655046 /nfs/dbraw/zinc/65/50/46/350655046.db2.gz OLEXVVFSINTFFN-BXKDBHETSA-N 0 0 236.315 2.070 10 0 BEAERN CC(C)CNC(=O)N1CCCC(C)(C)C1 ZINC000112739235 350666984 /nfs/dbraw/zinc/66/69/84/350666984.db2.gz UABRGYYVNXNRSV-UHFFFAOYSA-N 0 0 212.337 2.474 10 0 BEAERN CCc1ccc2c(c1)C[C@H](O)[C@H](C(C)(C)OC)N2 ZINC000725267834 538099039 /nfs/dbraw/zinc/09/90/39/538099039.db2.gz AGHYLRHKJNBUSV-UONOGXRCSA-N 0 0 249.354 2.372 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@H](C(C)(C)C)N2 ZINC000725267906 538098955 /nfs/dbraw/zinc/09/89/55/538098955.db2.gz BRIGUYNCPUQXOR-DGCLKSJQSA-N 0 0 235.327 2.439 10 0 BEAERN Cc1nc(-c2ccc(F)cc2F)cc(=O)[nH]1 ZINC000235951503 350727307 /nfs/dbraw/zinc/72/73/07/350727307.db2.gz AWOUAZRDYYECII-UHFFFAOYSA-N 0 0 222.194 2.024 10 0 BEAERN COc1ccc2cc(O)c([C@@H]3CCOC3)nc2c1 ZINC000725267692 538099170 /nfs/dbraw/zinc/09/91/70/538099170.db2.gz SFZZSDZSLBPSFM-SNVBAGLBSA-N 0 0 245.278 2.453 10 0 BEAERN CCCCNC(=O)NC[C@H](C)C(C)C ZINC000125418994 350734235 /nfs/dbraw/zinc/73/42/35/350734235.db2.gz VZQHVMRPWMSMLM-JTQLQIEISA-N 0 0 200.326 2.378 10 0 BEAERN O[C@@H](CC1OCCO1)c1cc(F)ccc1Cl ZINC000236520607 350738042 /nfs/dbraw/zinc/73/80/42/350738042.db2.gz NVXSFHZAFAPUSY-JTQLQIEISA-N 0 0 246.665 2.276 10 0 BEAERN COc1ccc2c(c1)N[C@@H](CC1CC1)[C@H](O)C2 ZINC000725267987 538099401 /nfs/dbraw/zinc/09/94/01/538099401.db2.gz DSEXDWFWADAOSH-UONOGXRCSA-N 0 0 233.311 2.193 10 0 BEAERN F[C@H]1COCCCN1Cc1ccccc1 ZINC000616599949 350776171 /nfs/dbraw/zinc/77/61/71/350776171.db2.gz TWWVEUXQQDSYSB-GFCCVEGCSA-N 0 0 209.264 2.205 10 0 BEAERN CC(C)(C)c1nnc(N[C@H]2CCC[C@H]2O)s1 ZINC000302676015 191121367 /nfs/dbraw/zinc/12/13/67/191121367.db2.gz PVMRTESLHOJNHN-JGVFFNPUSA-N 0 0 241.360 2.161 10 0 BEAERN Cc1cccc2c1N[C@@H](C1CCOCC1)[C@H](O)C2 ZINC000725268111 538099483 /nfs/dbraw/zinc/09/94/83/538099483.db2.gz KFPWRXFSHHKHTF-HIFRSBDPSA-N 0 0 247.338 2.119 10 0 BEAERN O=c1[nH]c(-c2c(F)cccc2F)cs1 ZINC000034669946 350778697 /nfs/dbraw/zinc/77/86/97/350778697.db2.gz HDPSUUKOAXCJAL-UHFFFAOYSA-N 0 0 213.208 2.382 10 0 BEAERN O=c1[nH]c2c(s1)CN(Cc1ccccc1)CC2 ZINC000034669891 350780519 /nfs/dbraw/zinc/78/05/19/350780519.db2.gz ASJGYTPDIYVKNC-UHFFFAOYSA-N 0 0 246.335 2.407 10 0 BEAERN COc1cccc([C@H]2CCCCN(C(N)=O)C2)c1 ZINC000616601885 350786847 /nfs/dbraw/zinc/78/68/47/350786847.db2.gz LNXZFWDYXQKVIB-LBPRGKRZSA-N 0 0 248.326 2.343 10 0 BEAERN CC[C@H](O)Cc1ccc(Br)cn1 ZINC000063039108 350787490 /nfs/dbraw/zinc/78/74/90/350787490.db2.gz TWRLPOXABNCKQF-VIFPVBQESA-N 0 0 230.105 2.158 10 0 BEAERN CC(=O)N1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616602804 350788335 /nfs/dbraw/zinc/78/83/35/350788335.db2.gz QVYYQUJSSKOBND-HNNXBMFYSA-N 0 0 247.338 2.295 10 0 BEAERN O=C([O-])c1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000616604025 350792502 /nfs/dbraw/zinc/79/25/02/350792502.db2.gz ZOEZNAKMDXNBPE-SNVBAGLBSA-N 0 0 219.284 2.242 10 0 BEAERN CN1CCO[C@@H](c2cccc3cnccc32)C1 ZINC000616604743 350793638 /nfs/dbraw/zinc/79/36/38/350793638.db2.gz ZLMNOFWCZOYDJW-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CNc1ccc([C@H]2CCN(C(=O)OC)C2)cc1 ZINC000616609795 350805554 /nfs/dbraw/zinc/80/55/54/350805554.db2.gz BQOSPZDGFQXOBL-NSHDSACASA-N 0 0 234.299 2.284 10 0 BEAERN CC(=O)Nc1cccc([C@@H]2CCCN2C(C)=O)c1 ZINC000616610483 350805622 /nfs/dbraw/zinc/80/56/22/350805622.db2.gz RERODQFXRPYBQU-AWEZNQCLSA-N 0 0 246.310 2.328 10 0 BEAERN NC(=O)N1CC[C@H](c2ccnc3ccccc32)C1 ZINC000616610707 350806436 /nfs/dbraw/zinc/80/64/36/350806436.db2.gz BCLKBNCATZNLDX-JTQLQIEISA-N 0 0 241.294 2.103 10 0 BEAERN NC(=O)N1CC[C@H](c2ccccc2Cl)C1 ZINC000616610882 350806862 /nfs/dbraw/zinc/80/68/62/350806862.db2.gz GPXBNFZERZPTTD-QMMMGPOBSA-N 0 0 224.691 2.208 10 0 BEAERN NC(=O)N1CC[C@H](c2cccc3ncccc32)C1 ZINC000616610897 350807209 /nfs/dbraw/zinc/80/72/09/350807209.db2.gz HAOGNFBOCQFSNU-JTQLQIEISA-N 0 0 241.294 2.103 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccnnc2)C1 ZINC000616610042 350807983 /nfs/dbraw/zinc/80/79/83/350807983.db2.gz OISZENRILHKDRV-NSHDSACASA-N 0 0 249.314 2.201 10 0 BEAERN Cc1ccc(C(=O)c2ccsn2)c(C)n1 ZINC000306679917 350834911 /nfs/dbraw/zinc/83/49/11/350834911.db2.gz JDNLYTHAWALVLJ-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncc(Cl)s1 ZINC000306686449 350842667 /nfs/dbraw/zinc/84/26/67/350842667.db2.gz GHPJZCCPSDAAAO-NTSWFWBYSA-N 0 0 218.709 2.386 10 0 BEAERN CCCc1nccnc1Br ZINC000306700936 350850428 /nfs/dbraw/zinc/85/04/28/350850428.db2.gz GAXRRWNSCPBPQB-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN O=C(CN1CCCCC1)c1ccsc1 ZINC000306701721 350850948 /nfs/dbraw/zinc/85/09/48/350850948.db2.gz HDADAVAMHCLJEC-UHFFFAOYSA-N 0 0 209.314 2.417 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615994 350851388 /nfs/dbraw/zinc/85/13/88/350851388.db2.gz JRVKVXOWDRMUEH-AWEZNQCLSA-N 0 0 233.311 2.252 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cocn2)C1 ZINC000616617098 350861024 /nfs/dbraw/zinc/86/10/24/350861024.db2.gz IQYMTGMMMMCEJD-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN CC(C)(C)C[C@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000725267917 538099540 /nfs/dbraw/zinc/09/95/40/538099540.db2.gz BYYSOWRDOIFWTN-OLZOCXBDSA-N 0 0 234.343 2.403 10 0 BEAERN C[C@H]1CC[C@@H](NC(=O)c2nnc(Cl)s2)C1 ZINC000128867911 350828448 /nfs/dbraw/zinc/82/84/48/350828448.db2.gz XXYTVUAELUEDFC-NTSWFWBYSA-N 0 0 245.735 2.110 10 0 BEAERN CN1CCSC[C@H]1C(=O)CC1(C)CCC1 ZINC000306676638 350828651 /nfs/dbraw/zinc/82/86/51/350828651.db2.gz WQQDPSKERXHTCZ-JTQLQIEISA-N 0 0 227.373 2.183 10 0 BEAERN CO[C@]1(C)CCN(c2ccnc(Cl)c2)C1 ZINC000306734317 350904583 /nfs/dbraw/zinc/90/45/83/350904583.db2.gz USGOQLNTXVHJHM-LLVKDONJSA-N 0 0 226.707 2.350 10 0 BEAERN CO[C@@]1(C)CCN(c2ccnc(Cl)c2)C1 ZINC000306734318 350905023 /nfs/dbraw/zinc/90/50/23/350905023.db2.gz USGOQLNTXVHJHM-NSHDSACASA-N 0 0 226.707 2.350 10 0 BEAERN FC1(F)C[C@H]1CNc1ncc(Cl)cn1 ZINC000306736797 350908215 /nfs/dbraw/zinc/90/82/15/350908215.db2.gz XUWWIDBZUMBXRF-YFKPBYRVSA-N 0 0 219.622 2.197 10 0 BEAERN CCCNC(=O)C[C@H]1CC(=O)c2ccccc21 ZINC000096644920 350913214 /nfs/dbraw/zinc/91/32/14/350913214.db2.gz OEJJRRIAGYUWMQ-SNVBAGLBSA-N 0 0 231.295 2.273 10 0 BEAERN CC(F)(F)CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000607140471 350940528 /nfs/dbraw/zinc/94/05/28/350940528.db2.gz ZZJSJSXHVCVKCU-NXEZZACHSA-N 0 0 249.301 2.089 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1c1conn1 ZINC000616619753 350928567 /nfs/dbraw/zinc/92/85/67/350928567.db2.gz AREVBUSAAOSZLB-JTQLQIEISA-N 0 0 239.275 2.143 10 0 BEAERN CC(C)(C)c1ccc(NC(=S)NN)cc1 ZINC000026514968 350876727 /nfs/dbraw/zinc/87/67/27/350876727.db2.gz RLKQMJZDEMLBLJ-UHFFFAOYSA-N 0 0 223.345 2.144 10 0 BEAERN Cc1csc(N[C@@H](C)C(C)(C)O)n1 ZINC000306717392 350877469 /nfs/dbraw/zinc/87/74/69/350877469.db2.gz HQMZABORPSXPKU-ZETCQYMHSA-N 0 0 200.307 2.023 10 0 BEAERN COc1c(F)cc(O)cc1Br ZINC000215838241 350882199 /nfs/dbraw/zinc/88/21/99/350882199.db2.gz YFZWEMGGQDHOLP-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN OC[C@]1(Cc2nccs2)CC=CCC1 ZINC000306724382 350892927 /nfs/dbraw/zinc/89/29/27/350892927.db2.gz IQTKFFCRRNZGTK-LLVKDONJSA-N 0 0 209.314 2.404 10 0 BEAERN O=C1OCC[C@@H]1Nc1cccc(Cl)c1 ZINC000306724203 350892950 /nfs/dbraw/zinc/89/29/50/350892950.db2.gz IIQRVBQDMIVGSZ-VIFPVBQESA-N 0 0 211.648 2.067 10 0 BEAERN C[C@@H](CO)Nc1ccc(F)c(Br)c1 ZINC000306725959 350897365 /nfs/dbraw/zinc/89/73/65/350897365.db2.gz LJJNKUVABHBRAO-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN C[C@H]1CCC[C@@](O)(c2cnc(N)s2)C1 ZINC000159792358 350997619 /nfs/dbraw/zinc/99/76/19/350997619.db2.gz WQFPLGSKUUCNLC-XVKPBYJWSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@H]1CS[C@@H](c2cc(O)cc(F)c2)N1 ZINC000159776780 350999575 /nfs/dbraw/zinc/99/95/75/350999575.db2.gz XRPFUPPGALWBFA-WKEGUHRASA-N 0 0 213.277 2.255 10 0 BEAERN Cc1ccsc1[C@H](O)c1cnc(N)s1 ZINC000159811868 351005624 /nfs/dbraw/zinc/00/56/24/351005624.db2.gz DOXCMOQQPOKQHH-SSDOTTSWSA-N 0 0 226.326 2.177 10 0 BEAERN COC(=O)c1cnc2cc(C)ccc2c1 ZINC000382684465 350947922 /nfs/dbraw/zinc/94/79/22/350947922.db2.gz DKGAYADIESIZEC-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN Nc1ccc(F)cc1NCC(F)(F)F ZINC000052119234 350950353 /nfs/dbraw/zinc/95/03/53/350950353.db2.gz IJRBVRQMZKUYIS-UHFFFAOYSA-N 0 0 208.158 2.382 10 0 BEAERN Cc1csc([C@@H]2NC[C@@H](C)S2)n1 ZINC000159620325 350953191 /nfs/dbraw/zinc/95/31/91/350953191.db2.gz GULUYKCQKQRDBU-RNFRBKRXSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1csc([C@H]2NC[C@@H](C)S2)n1 ZINC000159620431 350953455 /nfs/dbraw/zinc/95/34/55/350953455.db2.gz GULUYKCQKQRDBU-RQJHMYQMSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1sc(C(=O)N[C@H]2CC2(C)C)cc1N ZINC000045115176 180557557 /nfs/dbraw/zinc/55/75/57/180557557.db2.gz FHZWFYOQQMXTMZ-VIFPVBQESA-N 0 0 224.329 2.167 10 0 BEAERN CN(c1ncc(N)s1)C1CC(C)(C)C1 ZINC000306786628 351034240 /nfs/dbraw/zinc/03/42/40/351034240.db2.gz PFLWRCAMXAUTFC-UHFFFAOYSA-N 0 0 211.334 2.350 10 0 BEAERN O[C@H](CF)CNc1cc(F)cc(Cl)c1 ZINC000306789633 351039383 /nfs/dbraw/zinc/03/93/83/351039383.db2.gz UAYQSCSVHNIKFP-SECBINFHSA-N 0 0 221.634 2.221 10 0 BEAERN C[C@H](NO)c1cc(O)ccc1Br ZINC000306791228 351042170 /nfs/dbraw/zinc/04/21/70/351042170.db2.gz WWKNQVLVOUMXQW-YFKPBYRVSA-N 0 0 232.077 2.195 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1c1cc[nH]n1 ZINC000616621658 351044377 /nfs/dbraw/zinc/04/43/77/351044377.db2.gz MSVOWOQLFXMDAF-NSHDSACASA-N 0 0 237.303 2.483 10 0 BEAERN C=C(Cl)C(=O)Nc1cc(Cl)ccn1 ZINC000306802510 351055249 /nfs/dbraw/zinc/05/52/49/351055249.db2.gz UAQVJUPYOCYVPD-UHFFFAOYSA-N 0 0 217.055 2.426 10 0 BEAERN Clc1cc(NCc2cc[nH]n2)nc(Cl)n1 ZINC000306804798 351058882 /nfs/dbraw/zinc/05/88/82/351058882.db2.gz YTCDPCSDLBSIOA-UHFFFAOYSA-N 0 0 244.085 2.119 10 0 BEAERN Cc1ccc([C@H]2NC(=O)[C@@H]2C(C)C)s1 ZINC000306807257 351059239 /nfs/dbraw/zinc/05/92/39/351059239.db2.gz LTSAYVDHRURCJC-NXEZZACHSA-N 0 0 209.314 2.500 10 0 BEAERN C[S@@](=O)Nc1cccc(Br)c1 ZINC000306808051 351060245 /nfs/dbraw/zinc/06/02/45/351060245.db2.gz NZWAMEWUURXUDA-LLVKDONJSA-N 0 0 234.118 2.155 10 0 BEAERN CC[S@](=O)Nc1ccc(Cl)cc1O ZINC000306809426 351061306 /nfs/dbraw/zinc/06/13/06/351061306.db2.gz RYWOQIKKRHBKDY-ZDUSSCGKSA-N 0 0 219.693 2.141 10 0 BEAERN Cc1sccc1[C@H]1NC(=O)[C@H]1C(C)C ZINC000306770726 351013007 /nfs/dbraw/zinc/01/30/07/351013007.db2.gz BWVNMVSCUWKCHK-VHSXEESVSA-N 0 0 209.314 2.500 10 0 BEAERN Cc1sccc1[C@H]1NC(=O)[C@@H]1C(C)C ZINC000306770706 351013197 /nfs/dbraw/zinc/01/31/97/351013197.db2.gz BWVNMVSCUWKCHK-NXEZZACHSA-N 0 0 209.314 2.500 10 0 BEAERN CNc1cccc([C@H]2CCCN(C(N)=O)CC2)c1 ZINC000616629823 351100678 /nfs/dbraw/zinc/10/06/78/351100678.db2.gz VCWLYGYVGLQSDL-NSHDSACASA-N 0 0 247.342 2.377 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccncc2)CC1 ZINC000616630331 351102813 /nfs/dbraw/zinc/10/28/13/351102813.db2.gz TZNLBOHNSDNOKT-NSHDSACASA-N 0 0 234.299 2.418 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccnnc2)CC1 ZINC000616630171 351102870 /nfs/dbraw/zinc/10/28/70/351102870.db2.gz XPQNEMZHIKUZOE-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CC(=O)N1CCC[C@H](c2cccc(CO)c2)CC1 ZINC000616630421 351102988 /nfs/dbraw/zinc/10/29/88/351102988.db2.gz XNZZIJYWHZFIND-AWEZNQCLSA-N 0 0 247.338 2.295 10 0 BEAERN COC(=O)N1CCC[C@@H](C(F)(F)F)CC1 ZINC000616631469 351105518 /nfs/dbraw/zinc/10/55/18/351105518.db2.gz WIPOYTYFBKFMKR-SSDOTTSWSA-N 0 0 225.210 2.417 10 0 BEAERN CNc1ccccc1[C@H]1CCCN(C(N)=O)CC1 ZINC000616627200 351107724 /nfs/dbraw/zinc/10/77/24/351107724.db2.gz GEKNQAYFKSSSMZ-NSHDSACASA-N 0 0 247.342 2.377 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ccno2)C1 ZINC000616627222 351107801 /nfs/dbraw/zinc/10/78/01/351107801.db2.gz DDVYWTSGNWQEPU-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN CNc1cccc([C@H]2CCCN2C(C)=O)c1 ZINC000616631762 351108426 /nfs/dbraw/zinc/10/84/26/351108426.db2.gz HMWCTJWQBKIPJK-CYBMUJFWSA-N 0 0 218.300 2.412 10 0 BEAERN CC(=O)N1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616631759 351109071 /nfs/dbraw/zinc/10/90/71/351109071.db2.gz HKNAHKJZBSOMRS-CQSZACIVSA-N 0 0 241.294 2.313 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616634096 351115908 /nfs/dbraw/zinc/11/59/08/351115908.db2.gz QPTGOEGZESQLPF-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ccnc(N)c1 ZINC000616621758 351083673 /nfs/dbraw/zinc/08/36/73/351083673.db2.gz OTUCOXIEXXUYOY-NSHDSACASA-N 0 0 249.314 2.178 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ncccn1 ZINC000616622504 351086804 /nfs/dbraw/zinc/08/68/04/351086804.db2.gz ZSPCDRSXWKWDSW-JTQLQIEISA-N 0 0 235.287 2.160 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ncccn1 ZINC000616623446 351089165 /nfs/dbraw/zinc/08/91/65/351089165.db2.gz ZSPCDRSXWKWDSW-SNVBAGLBSA-N 0 0 235.287 2.160 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1ccc(CO)cc1 ZINC000616624646 351091726 /nfs/dbraw/zinc/09/17/26/351091726.db2.gz UWECERSFHBVBDA-ZDUSSCGKSA-N 0 0 248.326 2.175 10 0 BEAERN CCN1CCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616636422 351125301 /nfs/dbraw/zinc/12/53/01/351125301.db2.gz GIVZKSVOMPMTJD-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN COC(=O)N1CCCC[C@H](C(F)(F)F)C1 ZINC000616628106 351097560 /nfs/dbraw/zinc/09/75/60/351097560.db2.gz KCLRTCYAVMSJAD-ZETCQYMHSA-N 0 0 225.210 2.417 10 0 BEAERN CC(C)(C)[C@H]1CCCCN(S(C)(=O)=O)C1 ZINC000616628526 351098354 /nfs/dbraw/zinc/09/83/54/351098354.db2.gz OKCUWJXTRFXDJY-JTQLQIEISA-N 0 0 233.377 2.094 10 0 BEAERN c1ncc([C@@H]2COCCN2Cc2ccccc2)o1 ZINC000616640299 351145223 /nfs/dbraw/zinc/14/52/23/351145223.db2.gz YFFVJNXBGVXMLI-ZDUSSCGKSA-N 0 0 244.294 2.248 10 0 BEAERN Brc1cnccc1-n1ccnc1 ZINC000159968762 351146191 /nfs/dbraw/zinc/14/61/91/351146191.db2.gz QAEJBFLPFWBLON-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN FC[C@@H](c1ccsc1)N1CCOCC1 ZINC000306839827 351148438 /nfs/dbraw/zinc/14/84/38/351148438.db2.gz ZPMFTLXNNXSYDC-JTQLQIEISA-N 0 0 215.293 2.091 10 0 BEAERN CN1CCOC[C@H]1c1cc2ccccc2cn1 ZINC000616641596 351149216 /nfs/dbraw/zinc/14/92/16/351149216.db2.gz KBXZSERACAFSMN-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCOC[C@H]1c1cccc2ccncc21 ZINC000616642101 351151010 /nfs/dbraw/zinc/15/10/10/351151010.db2.gz VFABVTJNKBETPC-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CC(C)(C)N1CCOC[C@H]1c1cccnc1 ZINC000616642061 351151167 /nfs/dbraw/zinc/15/11/67/351151167.db2.gz UHEFUWMYFXGRLC-LBPRGKRZSA-N 0 0 220.316 2.253 10 0 BEAERN CC(C)[N@@H+]1CCOC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616641744 351151496 /nfs/dbraw/zinc/15/14/96/351151496.db2.gz OBTXTQAYCMIMND-ZDUSSCGKSA-N 0 0 249.310 2.167 10 0 BEAERN CCN1CCOC[C@H]1c1cccc(OC)c1 ZINC000616641774 351151804 /nfs/dbraw/zinc/15/18/04/351151804.db2.gz PIBWYERVLZJNSI-ZDUSSCGKSA-N 0 0 221.300 2.088 10 0 BEAERN CN1CCOC[C@H]1c1ccnc2ccccc21 ZINC000616642197 351153909 /nfs/dbraw/zinc/15/39/09/351153909.db2.gz ZPNISAYHEQPJRO-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCO[C@H](c2cccc3cccnc32)C1 ZINC000616643452 351157066 /nfs/dbraw/zinc/15/70/66/351157066.db2.gz NMWRIRGNGMQPGL-ZDUSSCGKSA-N 0 0 228.295 2.238 10 0 BEAERN c1cc([C@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000616644065 351160820 /nfs/dbraw/zinc/16/08/20/351160820.db2.gz GAHNFWDNQFWJHW-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN CC(C)[N@@H+]1CCO[C@@H](c2ccccc2N)C1 ZINC000616644490 351163313 /nfs/dbraw/zinc/16/33/13/351163313.db2.gz CWDDWJXMOHOGTN-CYBMUJFWSA-N 0 0 220.316 2.051 10 0 BEAERN CNc1ccccc1[C@H]1COCCCN1C(C)=O ZINC000616646987 351164280 /nfs/dbraw/zinc/16/42/80/351164280.db2.gz DUYOAVIYMQULHI-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CC(C)(C)N1CCO[C@H](c2ccncc2)C1 ZINC000616646686 351172156 /nfs/dbraw/zinc/17/21/56/351172156.db2.gz LVHSRNDVIDFRIW-LBPRGKRZSA-N 0 0 220.316 2.253 10 0 BEAERN CC[N@@H+]1CCCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616653708 351193816 /nfs/dbraw/zinc/19/38/16/351193816.db2.gz VXRTWNMDKIFDTA-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CC[N@@H+]1CCCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616648815 351177089 /nfs/dbraw/zinc/17/70/89/351177089.db2.gz CYFWYWXHUDBZNX-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CC[N@@H+]1CCCOC[C@H]1c1ccccc1C(=O)[O-] ZINC000616649636 351178859 /nfs/dbraw/zinc/17/88/59/351178859.db2.gz OLCKPADRVQPWSE-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CNc1ccc([C@@H]2CN(C(C)=O)CCCO2)cc1 ZINC000616651405 351182851 /nfs/dbraw/zinc/18/28/51/351182851.db2.gz SSJGHXLSKWBQCB-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CON[C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000306822966 351128723 /nfs/dbraw/zinc/12/87/23/351128723.db2.gz OIJGRAHWZVGUQT-JTQLQIEISA-N 0 0 246.351 2.221 10 0 BEAERN CCOC(=O)[C@H]1CCc2sc(=S)[nH]c21 ZINC000306822715 351129124 /nfs/dbraw/zinc/12/91/24/351129124.db2.gz OAVSTTBXLOBWBO-YFKPBYRVSA-N 0 0 229.326 2.025 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306823174 351130551 /nfs/dbraw/zinc/13/05/51/351130551.db2.gz PBYKWEFMKCMMBR-DSYKOEDSSA-N 0 0 222.115 2.095 10 0 BEAERN CN1C[C@H](c2ncccn2)Cc2ccccc21 ZINC000616668533 351230668 /nfs/dbraw/zinc/23/06/68/351230668.db2.gz BZTDBYXADDABAG-GFCCVEGCSA-N 0 0 225.295 2.253 10 0 BEAERN CCN1C[C@H](CCO)Cc2ccccc21 ZINC000616670701 351231076 /nfs/dbraw/zinc/23/10/76/351231076.db2.gz NFDFDNAUVRVERQ-LLVKDONJSA-N 0 0 205.301 2.068 10 0 BEAERN c1cnc([C@H]2CNc3ccccc3C2)nc1 ZINC000616671413 351231395 /nfs/dbraw/zinc/23/13/95/351231395.db2.gz UGIUCRIBGSOLIA-LLVKDONJSA-N 0 0 211.268 2.228 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1c1cocn1 ZINC000616670035 351231943 /nfs/dbraw/zinc/23/19/43/351231943.db2.gz WCKYVQGYHSEKAQ-CQSZACIVSA-N 0 0 244.294 2.161 10 0 BEAERN CCN1CC[C@@H](CCO)c2ccccc21 ZINC000616672002 351235104 /nfs/dbraw/zinc/23/51/04/351235104.db2.gz JPEHSHVAAUCJHP-NSHDSACASA-N 0 0 205.301 2.383 10 0 BEAERN CCN1C[C@H](c2conn2)Cc2ccccc21 ZINC000616671748 351236617 /nfs/dbraw/zinc/23/66/17/351236617.db2.gz UFESCKPZHSNNJG-LLVKDONJSA-N 0 0 229.283 2.236 10 0 BEAERN CCOC(=O)N1C[C@H](OC)Cc2ccccc21 ZINC000616671796 351236630 /nfs/dbraw/zinc/23/66/30/351236630.db2.gz UXTHGIFIHJREJO-LLVKDONJSA-N 0 0 235.283 2.221 10 0 BEAERN CCN1C[C@H](c2cnno2)Cc2ccccc21 ZINC000616671836 351236640 /nfs/dbraw/zinc/23/66/40/351236640.db2.gz VFJZZHAWRSOMSS-LLVKDONJSA-N 0 0 229.283 2.236 10 0 BEAERN CN1C[C@H](c2cccnn2)Cc2ccccc21 ZINC000616671761 351236757 /nfs/dbraw/zinc/23/67/57/351236757.db2.gz UGEWEJINEUAYSM-GFCCVEGCSA-N 0 0 225.295 2.253 10 0 BEAERN C[NH+](C)[C@H]1CCN(C(=O)[O-])c2ccccc21 ZINC000616673493 351237230 /nfs/dbraw/zinc/23/72/30/351237230.db2.gz BYBCQMIVHUCSEW-JTQLQIEISA-N 0 0 220.272 2.177 10 0 BEAERN c1ccc2c(c1)NCC[C@@H]2c1cncnc1 ZINC000616673864 351238022 /nfs/dbraw/zinc/23/80/22/351238022.db2.gz GQDOIZXVSHPCEY-LLVKDONJSA-N 0 0 211.268 2.424 10 0 BEAERN CN1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000616673920 351238099 /nfs/dbraw/zinc/23/80/99/351238099.db2.gz VEXHAIQARDZACD-LBPRGKRZSA-N 0 0 213.284 2.117 10 0 BEAERN NC(=O)N1CC[C@H](c2cnco2)c2ccccc21 ZINC000616674506 351238620 /nfs/dbraw/zinc/23/86/20/351238620.db2.gz DTHGZPZXWOJARM-JTQLQIEISA-N 0 0 243.266 2.095 10 0 BEAERN CC(=O)N1C[C@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616674622 351239792 /nfs/dbraw/zinc/23/97/92/351239792.db2.gz VUJHCBQTILHNLU-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN Clc1cc(N[C@@H]2CCCOC2)ccn1 ZINC000121979781 180576555 /nfs/dbraw/zinc/57/65/55/180576555.db2.gz ADOFNZNCXOBUFJ-SECBINFHSA-N 0 0 212.680 2.326 10 0 BEAERN OCCN1CC[C@@H](c2cocn2)c2ccccc21 ZINC000616673304 351240471 /nfs/dbraw/zinc/24/04/71/351240471.db2.gz XCNVFDYKDCFRGZ-LLVKDONJSA-N 0 0 244.294 2.009 10 0 BEAERN CC(C)N1CCc2ccccc2[C@H]1c1cn[nH]n1 ZINC000616679780 351246376 /nfs/dbraw/zinc/24/63/76/351246376.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 0 0 242.326 2.161 10 0 BEAERN CC(C)N1C[C@@H](CCO)Nc2ccccc21 ZINC000616680302 351247196 /nfs/dbraw/zinc/24/71/96/351247196.db2.gz AUBXGWAZOVQFLA-LLVKDONJSA-N 0 0 220.316 2.078 10 0 BEAERN CN1CCc2ccccc2[C@H]1c1ccon1 ZINC000616680464 351247463 /nfs/dbraw/zinc/24/74/63/351247463.db2.gz VEMZDVHJFMVFEM-ZDUSSCGKSA-N 0 0 214.268 2.252 10 0 BEAERN CN1C[C@@H](c2ccnc(N)c2)Nc2ccccc21 ZINC000616681201 351248286 /nfs/dbraw/zinc/24/82/86/351248286.db2.gz NVBROGJZDANLEC-LBPRGKRZSA-N 0 0 240.310 2.097 10 0 BEAERN Clc1nccc(NCCc2nccs2)n1 ZINC000063138493 351248682 /nfs/dbraw/zinc/24/86/82/351248682.db2.gz QITNQQRKSUURPY-UHFFFAOYSA-N 0 0 240.719 2.241 10 0 BEAERN CCN1CCc2ccccc2[C@@H]1c1conn1 ZINC000616678805 351249404 /nfs/dbraw/zinc/24/94/04/351249404.db2.gz MPPBLWNGPKMWQR-CYBMUJFWSA-N 0 0 229.283 2.037 10 0 BEAERN CN1C[C@@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616681671 351252288 /nfs/dbraw/zinc/25/22/88/351252288.db2.gz SLYBQWZCSAKPMS-JTQLQIEISA-N 0 0 214.272 2.013 10 0 BEAERN CCN1C[C@H](c2ncccn2)Nc2ccccc21 ZINC000616682490 351252871 /nfs/dbraw/zinc/25/28/71/351252871.db2.gz MCBJUVTVBYGSIZ-GFCCVEGCSA-N 0 0 240.310 2.470 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cn[nH]c1 ZINC000616682136 351252905 /nfs/dbraw/zinc/25/29/05/351252905.db2.gz BSBVVBWOFDFBSM-LBPRGKRZSA-N 0 0 214.272 2.013 10 0 BEAERN CC(C)N1c2ccccc2NC[C@H]1c1conn1 ZINC000616682672 351253421 /nfs/dbraw/zinc/25/34/21/351253421.db2.gz JUVXHVCBRVTPJY-ZDUSSCGKSA-N 0 0 244.298 2.451 10 0 BEAERN CC(=O)[C@H]1CN(C(C)C)c2ccccc2N1 ZINC000616683038 351253485 /nfs/dbraw/zinc/25/34/85/351253485.db2.gz NTLWNMNWVIPWLR-GFCCVEGCSA-N 0 0 218.300 2.285 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@H](C1CCC1)N2 ZINC000725268383 538100119 /nfs/dbraw/zinc/10/01/19/538100119.db2.gz PFHLGLYHXAZHHF-OCCSQVGLSA-N 0 0 233.311 2.193 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1cc[nH]n1 ZINC000616684526 351255125 /nfs/dbraw/zinc/25/51/25/351255125.db2.gz UNALGXFELMBGKG-ZDUSSCGKSA-N 0 0 228.299 2.403 10 0 BEAERN CC[C@H]1CNc2ccccc2N1C(=O)OC ZINC000616685478 351257679 /nfs/dbraw/zinc/25/76/79/351257679.db2.gz VOEFRBGOMLPMCA-VIFPVBQESA-N 0 0 220.272 2.464 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@H]1C ZINC000616685929 351258479 /nfs/dbraw/zinc/25/84/79/351258479.db2.gz ZURGIRKEFSQMGH-SECBINFHSA-N 0 0 220.272 2.464 10 0 BEAERN CC(=O)N1C[C@@H](c2c[nH]cn2)Cc2ccccc21 ZINC000616689213 351259149 /nfs/dbraw/zinc/25/91/49/351259149.db2.gz AXWFMHOTEVKLTJ-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN CC(=O)N1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000616690437 351259327 /nfs/dbraw/zinc/25/93/27/351259327.db2.gz RTGZYHOLTRXABR-ZDUSSCGKSA-N 0 0 241.294 2.033 10 0 BEAERN CC(=O)N1C[C@@H](c2cc[nH]n2)Cc2ccccc21 ZINC000616690401 351259478 /nfs/dbraw/zinc/25/94/78/351259478.db2.gz PRRNNHUYGIACQY-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ncccn2)C1 ZINC000616654191 351195712 /nfs/dbraw/zinc/19/57/12/351195712.db2.gz PHDRTZSREOTWBS-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2ccccn2)C1 ZINC000616654155 351195935 /nfs/dbraw/zinc/19/59/35/351195935.db2.gz NYZWEGODFCJCFJ-LLVKDONJSA-N 0 0 234.299 2.418 10 0 BEAERN CC[C@H]1CCN(C(=O)OC(C)(C)C)CCO1 ZINC000616663962 351216868 /nfs/dbraw/zinc/21/68/68/351216868.db2.gz XRWLSHGFIOJGAP-JTQLQIEISA-N 0 0 229.320 2.422 10 0 BEAERN COC(=O)N1c2ccccc2CC[C@@H]1OC ZINC000616667521 351224099 /nfs/dbraw/zinc/22/40/99/351224099.db2.gz LLFSAZUENAVTDL-NSHDSACASA-N 0 0 221.256 2.178 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@@H]1c1ncc[nH]1 ZINC000616668079 351225789 /nfs/dbraw/zinc/22/57/89/351225789.db2.gz GEYVDCRRPGKKPV-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1c1ncco1 ZINC000616669098 351228127 /nfs/dbraw/zinc/22/81/27/351228127.db2.gz OEBBYFUJIPTNNU-LLVKDONJSA-N 0 0 243.266 2.247 10 0 BEAERN CC[C@H]1CCc2ccccc2N1C(N)=O ZINC000616668909 351228298 /nfs/dbraw/zinc/22/82/98/351228298.db2.gz KXBIHKYXZKDSSE-JTQLQIEISA-N 0 0 204.273 2.297 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1c1cnoc1 ZINC000616669051 351228316 /nfs/dbraw/zinc/22/83/16/351228316.db2.gz NFQPXJUTOOTHQT-GFCCVEGCSA-N 0 0 243.266 2.247 10 0 BEAERN O=C1NCCOc2c(Cl)cc(Cl)cc21 ZINC000168076183 351286526 /nfs/dbraw/zinc/28/65/26/351286526.db2.gz QVSKYNPIFJWNJV-UHFFFAOYSA-N 0 0 232.066 2.116 10 0 BEAERN COc1ccc(C[C@H](C)O)cc1Br ZINC000038213077 351335529 /nfs/dbraw/zinc/33/55/29/351335529.db2.gz MLUIEVHNSQKXOG-ZETCQYMHSA-N 0 0 245.116 2.381 10 0 BEAERN OCCSc1nc(Cl)nc2ccsc21 ZINC000306908677 351321476 /nfs/dbraw/zinc/32/14/76/351321476.db2.gz FSHSWFMYBAXMGS-UHFFFAOYSA-N 0 0 246.744 2.429 10 0 BEAERN CN[C@H](c1coc(C)n1)c1cccs1 ZINC000306907327 351321897 /nfs/dbraw/zinc/32/18/97/351321897.db2.gz NIKCAQOMKUUFCY-SNVBAGLBSA-N 0 0 208.286 2.353 10 0 BEAERN O=C(CO)c1cc(F)c(Cl)cc1Cl ZINC000168173435 351331582 /nfs/dbraw/zinc/33/15/82/351331582.db2.gz UHFGTJUFWRKTJU-UHFFFAOYSA-N 0 0 223.030 2.308 10 0 BEAERN CC[C@H](Nc1nc(C)cs1)[C@H](C)O ZINC000306879904 351271218 /nfs/dbraw/zinc/27/12/18/351271218.db2.gz KBPWFISQCWCTBW-YUMQZZPRSA-N 0 0 200.307 2.023 10 0 BEAERN Fc1ccc(F)c(C2N=NC(=S)O2)c1 ZINC000034964284 351367667 /nfs/dbraw/zinc/36/76/67/351367667.db2.gz BOOPLXSYHPNOFL-UHFFFAOYSA-N 0 0 214.196 2.304 10 0 BEAERN O=C(c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000034976526 351371722 /nfs/dbraw/zinc/37/17/22/351371722.db2.gz AWHWJRMAXMEHRU-JTQLQIEISA-N 0 0 212.195 2.327 10 0 BEAERN CC1(C)SC[C@@H]1Nc1ccnc(Cl)n1 ZINC000306944326 351372510 /nfs/dbraw/zinc/37/25/10/351372510.db2.gz JOBZBTXVYGHOFH-LURJTMIESA-N 0 0 229.736 2.436 10 0 BEAERN CN(C)CC(=O)c1ccccc1Br ZINC000034989544 351376848 /nfs/dbraw/zinc/37/68/48/351376848.db2.gz CSKMQTUKHQVJBA-UHFFFAOYSA-N 0 0 242.116 2.193 10 0 BEAERN C[C@]1(c2nc(Br)ns2)C[C@@H]1F ZINC000306951071 351378726 /nfs/dbraw/zinc/37/87/26/351378726.db2.gz LKHYPECHZQKZHE-DZSWIPIPSA-N 0 0 237.097 2.300 10 0 BEAERN Nc1cc(OC(F)(F)F)cc(F)c1O ZINC000306959798 351380945 /nfs/dbraw/zinc/38/09/45/351380945.db2.gz AGGQIOUXUHKECA-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CSC(C)(C)[C@H](O)c1ccncc1F ZINC000306966879 351385657 /nfs/dbraw/zinc/38/56/57/351385657.db2.gz MCKSQBORGVIIDB-SECBINFHSA-N 0 0 215.293 2.396 10 0 BEAERN Cc1cc(Cl)ccc1NCC1OCCO1 ZINC000306969160 351386604 /nfs/dbraw/zinc/38/66/04/351386604.db2.gz RPRNYXOBWPQCHI-UHFFFAOYSA-N 0 0 227.691 2.433 10 0 BEAERN C[C@@H]1CCCCN1CC(=O)c1ccco1 ZINC000035036005 351387620 /nfs/dbraw/zinc/38/76/20/351387620.db2.gz SYTLCYSXWSMVOA-SNVBAGLBSA-N 0 0 207.273 2.337 10 0 BEAERN COc1cc(F)ccc1C(=O)C(F)F ZINC000306923851 351342798 /nfs/dbraw/zinc/34/27/98/351342798.db2.gz HCEYFQBGCOEROE-UHFFFAOYSA-N 0 0 204.147 2.282 10 0 BEAERN O=C(Nc1ncc(Cl)s1)NC1CC1 ZINC000306928726 351345183 /nfs/dbraw/zinc/34/51/83/351345183.db2.gz ZASNIMCSMYKCPP-UHFFFAOYSA-N 0 0 217.681 2.080 10 0 BEAERN COc1cc2c(c(OC)c1)[C@@H](C)CC2=O ZINC000069052032 351354668 /nfs/dbraw/zinc/35/46/68/351354668.db2.gz QPPIXNSMQKQBRQ-ZETCQYMHSA-N 0 0 206.241 2.394 10 0 BEAERN Nc1cc(CCCc2ccccc2)[nH]n1 ZINC000034940612 351357119 /nfs/dbraw/zinc/35/71/19/351357119.db2.gz SCFRZCWOXPUSLE-UHFFFAOYSA-N 0 0 201.273 2.167 10 0 BEAERN CC1CN(C(=O)C[C@H]2CC2(Cl)Cl)C1 ZINC000306940092 351360927 /nfs/dbraw/zinc/36/09/27/351360927.db2.gz BNBVUPIBTTWQFN-ZETCQYMHSA-N 0 0 222.115 2.049 10 0 BEAERN C[C@@H](CO)Nc1cc(F)cc(Br)c1 ZINC000306939751 351361118 /nfs/dbraw/zinc/36/11/18/351361118.db2.gz KOLNIKKMRUWVTN-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN CN(CCc1ccccn1)c1ccc(CO)cc1 ZINC000034956835 351362062 /nfs/dbraw/zinc/36/20/62/351362062.db2.gz DDMAWMCRGNTQFO-UHFFFAOYSA-N 0 0 242.322 2.253 10 0 BEAERN Cc1nnsc1-c1nc(C)c(F)c(Cl)n1 ZINC000307025314 351434659 /nfs/dbraw/zinc/43/46/59/351434659.db2.gz WZXCQDFQTPRYAS-UHFFFAOYSA-N 0 0 244.682 2.404 10 0 BEAERN S=C1N=NCN1c1ccsc1Cl ZINC000307077818 351465923 /nfs/dbraw/zinc/46/59/23/351465923.db2.gz PSVPCLFVJDZCFZ-UHFFFAOYSA-N 0 0 217.706 2.271 10 0 BEAERN CC(=O)c1cc(O)c(F)cc1Br ZINC000307039212 351437052 /nfs/dbraw/zinc/43/70/52/351437052.db2.gz JFNGSJWPVWEJOX-UHFFFAOYSA-N 0 0 233.036 2.496 10 0 BEAERN CC(C)N(C)c1cnc(Br)cn1 ZINC000307041250 351443654 /nfs/dbraw/zinc/44/36/54/351443654.db2.gz KLTHKQFVDMVWPO-UHFFFAOYSA-N 0 0 230.109 2.084 10 0 BEAERN O=C1COc2c1cc(Br)c(F)c2F ZINC000307043248 351444999 /nfs/dbraw/zinc/44/49/99/351444999.db2.gz UQIADMCACMECCF-UHFFFAOYSA-N 0 0 249.010 2.302 10 0 BEAERN Cc1cc([C@H]2NC[C@@H](C)CS2)sn1 ZINC000404439534 351449984 /nfs/dbraw/zinc/44/99/84/351449984.db2.gz IUBFSTJIPUHWGZ-MUWHJKNJSA-N 0 0 214.359 2.423 10 0 BEAERN Clc1cc(NCc2ccno2)c(Cl)nn1 ZINC000231900730 351453008 /nfs/dbraw/zinc/45/30/08/351453008.db2.gz MLYZKVWMUSCWFL-UHFFFAOYSA-N 0 0 245.069 2.384 10 0 BEAERN Cc1cc(-c2noc(Cl)n2)sn1 ZINC000404459196 351458285 /nfs/dbraw/zinc/45/82/85/351458285.db2.gz PLUGTKNYPPEAQQ-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN Cc1nc([C@@H](O)Cc2ccsc2)co1 ZINC000307059697 351458406 /nfs/dbraw/zinc/45/84/06/351458406.db2.gz IIONQXDUWVUPRT-JTQLQIEISA-N 0 0 209.270 2.321 10 0 BEAERN C[C@@H]1CN[C@@H](c2ccns2)SC1 ZINC000404443417 351459370 /nfs/dbraw/zinc/45/93/70/351459370.db2.gz LXZRRYZTSKPJMK-HTRCEHHLSA-N 0 0 200.332 2.114 10 0 BEAERN Cc1oc(Br)cc1-c1cc(N)n[nH]1 ZINC000307068236 351463351 /nfs/dbraw/zinc/46/33/51/351463351.db2.gz WBJLFECJAPVVCG-UHFFFAOYSA-N 0 0 242.076 2.323 10 0 BEAERN Cc1cc(F)cc(C(=O)CN2CCC2)c1 ZINC000307067610 351463440 /nfs/dbraw/zinc/46/34/40/351463440.db2.gz SSETYPADGQSETD-UHFFFAOYSA-N 0 0 207.248 2.023 10 0 BEAERN C[C@@]1(C(=O)C[C@@H]2CCOC2)CCCS1 ZINC000307068601 351463445 /nfs/dbraw/zinc/46/34/45/351463445.db2.gz WVRGYNZZYMAMMK-ONGXEEELSA-N 0 0 214.330 2.268 10 0 BEAERN C[C@]1(C(=O)C[C@H]2CCOC2)CCCS1 ZINC000307068600 351463455 /nfs/dbraw/zinc/46/34/55/351463455.db2.gz WVRGYNZZYMAMMK-MWLCHTKSSA-N 0 0 214.330 2.268 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C)O1 ZINC000306992980 351410083 /nfs/dbraw/zinc/41/00/83/351410083.db2.gz XWAMMEVWYOXFRU-KXUCPTDWSA-N 0 0 229.320 2.467 10 0 BEAERN N[C@H](c1ccns1)c1ccoc1Cl ZINC000307003895 351418239 /nfs/dbraw/zinc/41/82/39/351418239.db2.gz DNRKZQSEKYRHSI-ZETCQYMHSA-N 0 0 214.677 2.438 10 0 BEAERN COC(OC)[C@H]1CCC2(CCCC2)C1=O ZINC000307014745 351422747 /nfs/dbraw/zinc/42/27/47/351422747.db2.gz MZTGTKFMTSSVQT-VIFPVBQESA-N 0 0 212.289 2.145 10 0 BEAERN [NH3+][C@@H](C1CCC1)C1(C(=O)[O-])CCCCC1 ZINC000307018540 351424109 /nfs/dbraw/zinc/42/41/09/351424109.db2.gz XFZQYPOEVNQZJS-JTQLQIEISA-N 0 0 211.305 2.149 10 0 BEAERN C[C@H](NC(=O)c1cnccc1Cl)C(F)F ZINC000307020529 351424716 /nfs/dbraw/zinc/42/47/16/351424716.db2.gz TUXGYMCGZBTFOR-YFKPBYRVSA-N 0 0 234.633 2.118 10 0 BEAERN C[C@@H]([C@H]1C[C@H]1C)n1ncc(Br)c1N ZINC000307150717 351504398 /nfs/dbraw/zinc/50/43/98/351504398.db2.gz AQROMPBKYFXCPJ-VQVTYTSYSA-N 0 0 244.136 2.445 10 0 BEAERN C/C(=C/Cl)Cn1ccnc(Cl)c1=O ZINC000232009922 351505736 /nfs/dbraw/zinc/50/57/36/351505736.db2.gz VOBRBDWYSPXVMD-XQRVVYSFSA-N 0 0 219.071 2.039 10 0 BEAERN OC[C@@H]1CCO[C@@H]1c1sccc1Cl ZINC000307160288 351511734 /nfs/dbraw/zinc/51/17/34/351511734.db2.gz VSAPGURKFWAJEA-XPUUQOCRSA-N 0 0 218.705 2.471 10 0 BEAERN Clc1cncc(N[C@@H]2C[C@@H]3OCCC[C@H]23)n1 ZINC000302575226 180599297 /nfs/dbraw/zinc/59/92/97/180599297.db2.gz RJZHNZCUFSDGPU-HLTSFMKQSA-N 0 0 239.706 2.109 10 0 BEAERN Fc1c(Cl)nc(CN2CCC2)nc1Cl ZINC000307089431 351472368 /nfs/dbraw/zinc/47/23/68/351472368.db2.gz VCDANLWHKRSIPZ-UHFFFAOYSA-N 0 0 236.077 2.128 10 0 BEAERN Clc1nc2c(c(N3CCCC3)n1)SCC2 ZINC000307096717 351477923 /nfs/dbraw/zinc/47/79/23/351477923.db2.gz IFYSOUBLKGXCJL-UHFFFAOYSA-N 0 0 241.747 2.378 10 0 BEAERN Cc1ncsc1[C@@H](C)N1CC(F)C1 ZINC000307110889 351484568 /nfs/dbraw/zinc/48/45/68/351484568.db2.gz HUZSNLFVRLMVNV-SSDOTTSWSA-N 0 0 200.282 2.166 10 0 BEAERN CC1(C)SC[C@@H]1Nc1cc(N)ns1 ZINC000307167341 351536962 /nfs/dbraw/zinc/53/69/62/351536962.db2.gz RHAMZBBCZPSRFQ-YFKPBYRVSA-N 0 0 215.347 2.031 10 0 BEAERN Clc1ncc2c(n1)-c1ccoc1CC2 ZINC000307168308 351541793 /nfs/dbraw/zinc/54/17/93/351541793.db2.gz UVYSQWFJCWHPKP-UHFFFAOYSA-N 0 0 206.632 2.489 10 0 BEAERN Cc1ncc([C@H]2NC[C@H](C)CS2)s1 ZINC000307169443 351544187 /nfs/dbraw/zinc/54/41/87/351544187.db2.gz YFWPMICUMAYIDN-RCOVLWMOSA-N 0 0 214.359 2.423 10 0 BEAERN Clc1ncc2c(n1)[C@@H]1CCCCN1C2 ZINC000307170097 351544965 /nfs/dbraw/zinc/54/49/65/351544965.db2.gz ZWECRTITCGKLHL-QMMMGPOBSA-N 0 0 209.680 2.171 10 0 BEAERN CC(C)[C@H](C)n1cc(Br)c(N)n1 ZINC000307179382 351565436 /nfs/dbraw/zinc/56/54/36/351565436.db2.gz LTLQHBQATZBXCC-LURJTMIESA-N 0 0 232.125 2.445 10 0 BEAERN C[C@@H](O)c1cnc(-c2ccncc2)s1 ZINC000054160735 351570612 /nfs/dbraw/zinc/57/06/12/351570612.db2.gz AESHRPBAVUTXBC-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ncc(Cl)s1 ZINC000307187985 351589889 /nfs/dbraw/zinc/58/98/89/351589889.db2.gz AUBBFRJGVHZCCD-RITPCOANSA-N 0 0 218.709 2.122 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](O)[C@H](C1CC1)N2 ZINC000725268412 538100705 /nfs/dbraw/zinc/10/07/05/538100705.db2.gz QDCDZWVUHVMKEI-KBPBESRZSA-N 0 0 233.311 2.193 10 0 BEAERN CCCc1nc2ccc(OC)cc2cc1NN ZINC000725268403 538100581 /nfs/dbraw/zinc/10/05/81/538100581.db2.gz PUCQMJFBJMRNOV-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN COc1ccc(C(=O)c2cscn2)s1 ZINC000307209097 351609129 /nfs/dbraw/zinc/60/91/29/351609129.db2.gz ABGNSHFGRNFDNH-UHFFFAOYSA-N 0 0 225.294 2.444 10 0 BEAERN COC(=O)C[C@H]1COc2ccc(C)cc21 ZINC000606302779 351558619 /nfs/dbraw/zinc/55/86/19/351558619.db2.gz VZCQAETVEAKXDH-VIFPVBQESA-N 0 0 206.241 2.034 10 0 BEAERN C[C@H](Nc1ncc(N)s1)C(F)(F)F ZINC000307224579 351655562 /nfs/dbraw/zinc/65/55/62/351655562.db2.gz BQDHZWHXJNIFGE-VKHMYHEASA-N 0 0 211.212 2.088 10 0 BEAERN CC[S@](=O)Nc1ccc(Cl)c(N)c1 ZINC000307225174 351656931 /nfs/dbraw/zinc/65/69/31/351656931.db2.gz CPPWQAHWHQFCKE-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN Brc1ncccc1NC1CSC1 ZINC000307219324 351619382 /nfs/dbraw/zinc/61/93/82/351619382.db2.gz WHPVTWLYHIRIRA-UHFFFAOYSA-N 0 0 245.145 2.371 10 0 BEAERN C[C@@H]1SCCC[C@@H]1Nc1cncnc1 ZINC000232086217 351700903 /nfs/dbraw/zinc/70/09/03/351700903.db2.gz LFADPBXFEQEVEJ-WPRPVWTQSA-N 0 0 209.318 2.173 10 0 BEAERN Cc1nc(C(=O)c2ccncc2)cs1 ZINC000307234169 351702251 /nfs/dbraw/zinc/70/22/51/351702251.db2.gz FFBFXKSIFUPATO-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN NN[C@H](C1CC(F)(F)C1)C1CCCC1 ZINC000307237545 351726787 /nfs/dbraw/zinc/72/67/87/351726787.db2.gz GTLQPFVGGPTJOK-VIFPVBQESA-N 0 0 204.264 2.054 10 0 BEAERN C/C=C/CNc1cc(Br)ncn1 ZINC000307238522 351728059 /nfs/dbraw/zinc/72/80/59/351728059.db2.gz OWTVYSWGVGBXHG-NSCUHMNNSA-N 0 0 228.093 2.227 10 0 BEAERN COc1cccc2nc(C(F)F)c(NN)cc21 ZINC000725268704 538101068 /nfs/dbraw/zinc/10/10/68/538101068.db2.gz ZKMLJZDJAFQWKI-UHFFFAOYSA-N 0 0 239.225 2.467 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1c1cccc(Cl)n1 ZINC000307253636 351780547 /nfs/dbraw/zinc/78/05/47/351780547.db2.gz VTZNNWUFVLGZBU-BDAKNGLRSA-N 0 0 226.707 2.085 10 0 BEAERN Cc1nsc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000307254106 351788433 /nfs/dbraw/zinc/78/84/33/351788433.db2.gz WWMLQYHXTFUIOV-DJLDLDEBSA-N 0 0 209.318 2.447 10 0 BEAERN O=C([O-])c1ccc(CN2CCC2)c(Cl)c1 ZINC000307254272 351788502 /nfs/dbraw/zinc/78/85/02/351788502.db2.gz XICPXLZRSKKYTH-UHFFFAOYSA-N 0 0 225.675 2.244 10 0 BEAERN C[C@H](O)[C@H](C)Nc1cccc(Br)n1 ZINC000307247764 351756879 /nfs/dbraw/zinc/75/68/79/351756879.db2.gz DUVRXSMPMNDMJA-BQBZGAKWSA-N 0 0 245.120 2.025 10 0 BEAERN NN[C@@H](c1occc1Br)C1CCC1 ZINC000228997123 351768839 /nfs/dbraw/zinc/76/88/39/351768839.db2.gz LTRXDYQUXSTMAF-MRVPVSSYSA-N 0 0 245.120 2.347 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)O1 ZINC000178017631 366075647 /nfs/dbraw/zinc/07/56/47/366075647.db2.gz OOZGGZLOVUZTRB-RNCFNFMXSA-N 0 0 247.294 2.128 10 0 BEAERN C[C@H](c1ccccn1)[C@H](O)C(C)(F)F ZINC000300876498 363092242 /nfs/dbraw/zinc/09/22/42/363092242.db2.gz LYCJJUBBSNDGBG-APPZFPTMSA-N 0 0 201.216 2.201 10 0 BEAERN COC[C@@H](O)c1ccc(Cl)c(C)c1F ZINC000307292745 351903904 /nfs/dbraw/zinc/90/39/04/351903904.db2.gz DDPQDBGZSVQTLW-SECBINFHSA-N 0 0 218.655 2.467 10 0 BEAERN Brc1cc(N2CC3(CC3)C2)ccn1 ZINC000307299319 351916382 /nfs/dbraw/zinc/91/63/82/351916382.db2.gz AZYJUYGUNHZEST-UHFFFAOYSA-N 0 0 239.116 2.444 10 0 BEAERN CC[C@H]1CC[C@@H](C)N(C(=S)NC)C1 ZINC000307316669 351992557 /nfs/dbraw/zinc/99/25/57/351992557.db2.gz NVDYDPHHFNUVFQ-BDAKNGLRSA-N 0 0 200.351 2.001 10 0 BEAERN CC1CCC(O)(C(=O)c2ccsn2)CC1 ZINC000307334525 352053312 /nfs/dbraw/zinc/05/33/12/352053312.db2.gz BBQVSGWJRWQADM-UHFFFAOYSA-N 0 0 225.313 2.267 10 0 BEAERN Cn1cc([C@H]2CCCN2c2cccc(F)n2)cn1 ZINC000108946067 180672735 /nfs/dbraw/zinc/67/27/35/180672735.db2.gz QVZVJTIVXSVIHE-LLVKDONJSA-N 0 0 246.289 2.296 10 0 BEAERN CC(C)Cn1sc2ncccc2c1=O ZINC000013605215 187587488 /nfs/dbraw/zinc/58/74/88/187587488.db2.gz HODJFSFDQRCCAY-UHFFFAOYSA-N 0 0 208.286 2.114 10 0 BEAERN CC(C)N(C)c1cc(F)c(F)cc1N ZINC000307328250 352024564 /nfs/dbraw/zinc/02/45/64/352024564.db2.gz KAHYKMWOIJNKJN-UHFFFAOYSA-N 0 0 200.232 2.392 10 0 BEAERN O=C(CC1CCC1)Nc1nccnc1Cl ZINC000232176125 352032338 /nfs/dbraw/zinc/03/23/38/352032338.db2.gz DKAMGSNOVXXUDC-UHFFFAOYSA-N 0 0 225.679 2.259 10 0 BEAERN CCCc1cnc(Br)nc1 ZINC000038812248 187600159 /nfs/dbraw/zinc/60/01/59/187600159.db2.gz IIXBKFFEZMDAOS-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN CC(C)CC(=O)NC1(C(N)=S)CCCCC1 ZINC000040354841 187601733 /nfs/dbraw/zinc/60/17/33/187601733.db2.gz YSPKFYVFNUSXMV-UHFFFAOYSA-N 0 0 242.388 2.138 10 0 BEAERN Cc1c(CO)cnn1-c1cccc(Cl)c1 ZINC000082660936 187604398 /nfs/dbraw/zinc/60/43/98/187604398.db2.gz XSUDJUJFMFVZCI-UHFFFAOYSA-N 0 0 222.675 2.326 10 0 BEAERN CCC(C)(C)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000073114056 352078093 /nfs/dbraw/zinc/07/80/93/352078093.db2.gz VJYCESRBLGVYGY-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN CC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000033465099 187593587 /nfs/dbraw/zinc/59/35/87/187593587.db2.gz PTQSWVFIMFKNMD-UHFFFAOYSA-N 0 0 234.251 2.010 10 0 BEAERN CCOC(=O)/C=C\C(=O)Nc1cccc(C)c1C ZINC000033593361 187593922 /nfs/dbraw/zinc/59/39/22/187593922.db2.gz RAJHNAWOGCNTFA-HJWRWDBZSA-N 0 0 247.294 2.361 10 0 BEAERN CC(C)[N@H+](C)CCOc1ccc(C(=O)[O-])cc1 ZINC000035732007 187595211 /nfs/dbraw/zinc/59/52/11/187595211.db2.gz JZPDHGYTUVJYMJ-UHFFFAOYSA-N 0 0 237.299 2.104 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000036165618 187595244 /nfs/dbraw/zinc/59/52/44/187595244.db2.gz XATYSAOYJKNDNA-GZMMTYOYSA-N 0 0 235.331 2.335 10 0 BEAERN CN(C)c1c(C=O)c2ccccc2n1C ZINC000073734279 187597469 /nfs/dbraw/zinc/59/74/69/187597469.db2.gz WLHXUKYTYKMTHB-UHFFFAOYSA-N 0 0 202.257 2.057 10 0 BEAERN Cc1cccc(CNc2ncnc3c2CCC3)n1 ZINC000061277417 187612931 /nfs/dbraw/zinc/61/29/31/187612931.db2.gz LUMBUCJVRZVOMG-UHFFFAOYSA-N 0 0 240.310 2.281 10 0 BEAERN CC(C)Cn1ccnc(NC2CCCC2)c1=O ZINC000061762013 187613429 /nfs/dbraw/zinc/61/34/29/187613429.db2.gz ZJWDEFMJNBPOKE-UHFFFAOYSA-N 0 0 235.331 2.254 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(N)c(O)c1 ZINC000300910246 363121041 /nfs/dbraw/zinc/12/10/41/363121041.db2.gz LTKMKDXROAXPJF-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN CC(C)COc1cncc(N[C@H]2C[C@H]2C)n1 ZINC000301539303 187643906 /nfs/dbraw/zinc/64/39/06/187643906.db2.gz BNDJEZQIILPUQZ-ZJUUUORDSA-N 0 0 221.304 2.332 10 0 BEAERN CSC1CCN(c2ccnc(Cl)n2)CC1 ZINC000300924582 363145154 /nfs/dbraw/zinc/14/51/54/363145154.db2.gz ZBLFMENYDVBBIF-UHFFFAOYSA-N 0 0 243.763 2.462 10 0 BEAERN COC(CC(=O)c1sccc1C)OC ZINC000122006472 538102863 /nfs/dbraw/zinc/10/28/63/538102863.db2.gz BGBIUOYALCVOAT-UHFFFAOYSA-N 0 0 214.286 2.248 10 0 BEAERN CC(=O)NC(C)(C)c1cccc2c1CCCN2 ZINC000725270997 538102963 /nfs/dbraw/zinc/10/29/63/538102963.db2.gz XHECPIRCRQODFD-UHFFFAOYSA-N 0 0 232.327 2.416 10 0 BEAERN COC(=O)c1cnc2[nH]cc(Cl)c2c1 ZINC000044712784 352384496 /nfs/dbraw/zinc/38/44/96/352384496.db2.gz YIKWQACANXJVNR-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN O=Cc1ccc(F)c(F)c1OC(F)F ZINC000307376229 352476070 /nfs/dbraw/zinc/47/60/70/352476070.db2.gz VGRKKMSWESMDHE-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN Cn1ccnc1[C@@H](O)c1ccccc1Cl ZINC000008709920 180755905 /nfs/dbraw/zinc/75/59/05/180755905.db2.gz YKJDLUZWIWBUSF-JTQLQIEISA-N 0 0 222.675 2.155 10 0 BEAERN COc1ccc([C@]2(O)CSC[C@@H]2C)s1 ZINC000307383271 352509315 /nfs/dbraw/zinc/50/93/15/352509315.db2.gz CKNPQTNTKOWVSV-XVKPBYJWSA-N 0 0 230.354 2.327 10 0 BEAERN CC[C@H](C)NC(=O)[C@H]1CCCC1(F)F ZINC000307383510 352510407 /nfs/dbraw/zinc/51/04/07/352510407.db2.gz DNTDXAXQJAMGGG-JGVFFNPUSA-N 0 0 205.248 2.337 10 0 BEAERN COC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000037303156 358471731 /nfs/dbraw/zinc/47/17/31/358471731.db2.gz HXQWGGDBTSBVOT-MNOVXSKESA-N 0 0 221.300 2.207 10 0 BEAERN Cn1ccnc1SCc1ccc(O)c(N)c1 ZINC000037285515 180754374 /nfs/dbraw/zinc/75/43/74/180754374.db2.gz DQWBFXSXIRGDFR-UHFFFAOYSA-N 0 0 235.312 2.000 10 0 BEAERN CSC(C)(C)Cn1cc[nH]c1=S ZINC000229123411 352591595 /nfs/dbraw/zinc/59/15/95/352591595.db2.gz KLAHXEDDAVKBKD-UHFFFAOYSA-N 0 0 202.348 2.313 10 0 BEAERN CCc1ccc([C@@H](O)c2ccns2)o1 ZINC000307436215 352596165 /nfs/dbraw/zinc/59/61/65/352596165.db2.gz SQEZIOTWDWFQIX-SNVBAGLBSA-N 0 0 209.270 2.380 10 0 BEAERN CC1(C)SC[C@@H]1Nc1nsnc1Cl ZINC000307447640 352603138 /nfs/dbraw/zinc/60/31/38/352603138.db2.gz YCCTZEGFGFUJKE-BYPYZUCNSA-N 0 0 235.765 2.497 10 0 BEAERN C[C@H](Nc1cnns1)c1cncs1 ZINC000232291688 352605939 /nfs/dbraw/zinc/60/59/39/352605939.db2.gz VPSJPKPEJXQYPR-YFKPBYRVSA-N 0 0 212.303 2.168 10 0 BEAERN C[C@H](Nc1cnns1)c1nccs1 ZINC000232292254 352606807 /nfs/dbraw/zinc/60/68/07/352606807.db2.gz GWFIZTMKPANVTO-YFKPBYRVSA-N 0 0 212.303 2.168 10 0 BEAERN Cc1cc(-c2ncnc(N)c2Cl)sn1 ZINC000307453859 352609038 /nfs/dbraw/zinc/60/90/38/352609038.db2.gz VEDAEQIGWVTUDX-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN c1ccc(CNC2=N[C@]3(CCOC3)CS2)cc1 ZINC000307460760 352610504 /nfs/dbraw/zinc/61/05/04/352610504.db2.gz DBGZFKBUBFDQNF-ZDUSSCGKSA-N 0 0 248.351 2.038 10 0 BEAERN CC[C@]1(C)CNC(=O)N(Cc2ccccc2)C1=O ZINC000232305567 352611023 /nfs/dbraw/zinc/61/10/23/352611023.db2.gz MLDWPCYHUNAOMF-CQSZACIVSA-N 0 0 246.310 2.155 10 0 BEAERN O=Cc1cc(Cl)ncc1OC(F)F ZINC000307471728 352612947 /nfs/dbraw/zinc/61/29/47/352612947.db2.gz YAJODUAUVISPOK-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN COC(=O)/C(=C/c1ccccc1)C(=O)C(C)C ZINC000203769179 352562754 /nfs/dbraw/zinc/56/27/54/352562754.db2.gz YKGLXIQPXNGEAY-FMIVXFBMSA-N 0 0 232.279 2.468 10 0 BEAERN Cc1sc2nc(C)nc(NO)c2c1C ZINC000307405810 352581363 /nfs/dbraw/zinc/58/13/63/352581363.db2.gz MEXOUJYNEOTMAD-UHFFFAOYSA-N 0 0 209.274 2.418 10 0 BEAERN C[C@H]1CCC[C@]1(O)CNc1nsnc1Cl ZINC000307548886 352647473 /nfs/dbraw/zinc/64/74/73/352647473.db2.gz VTFHCQQIPUPPJW-RCOVLWMOSA-N 0 0 247.751 2.155 10 0 BEAERN O=C(c1ccsn1)[C@H](O)C1CCCCC1 ZINC000307613630 352671763 /nfs/dbraw/zinc/67/17/63/352671763.db2.gz JXWATXKJVZADHU-SNVBAGLBSA-N 0 0 225.313 2.267 10 0 BEAERN CC1CN(c2ccnc(Br)c2)C1 ZINC000307561286 352653535 /nfs/dbraw/zinc/65/35/35/352653535.db2.gz YOVDQGAQANBKFT-UHFFFAOYSA-N 0 0 227.105 2.300 10 0 BEAERN O[C@H](c1cc[nH]c1)[C@H]1CCCC1(F)F ZINC000307589142 352661585 /nfs/dbraw/zinc/66/15/85/352661585.db2.gz ZOLBDPADRLBWKL-RKDXNWHRSA-N 0 0 201.216 2.484 10 0 BEAERN Cc1cc(Cl)nc(Cl)c1N[S@@](C)=O ZINC000307608665 352667403 /nfs/dbraw/zinc/66/74/03/352667403.db2.gz GYIBHJCCSUOGLT-CYBMUJFWSA-N 0 0 239.127 2.402 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)Nc1nncs1 ZINC000043130500 352631190 /nfs/dbraw/zinc/63/11/90/352631190.db2.gz XNSQOZKZNMTBMM-QMMMGPOBSA-N 0 0 242.348 2.484 10 0 BEAERN CCc1cc(OC)c2c(c1)C(=O)CCO2 ZINC000232349976 352631648 /nfs/dbraw/zinc/63/16/48/352631648.db2.gz QIZRBMTUMIIVJI-UHFFFAOYSA-N 0 0 206.241 2.223 10 0 BEAERN COc1cc(F)c(C(C)=O)c(F)c1F ZINC000307526425 352635132 /nfs/dbraw/zinc/63/51/32/352635132.db2.gz IXFSJFFHMAYKEA-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN C[C@H]1CSC[C@]1(O)Cc1ccccc1 ZINC000307529800 352635824 /nfs/dbraw/zinc/63/58/24/352635824.db2.gz PGKSKXOBJWGQCO-CMPLNLGQSA-N 0 0 208.326 2.343 10 0 BEAERN Cn1ncc(C(=O)C(C)(C)C)c1Br ZINC000307623802 352694678 /nfs/dbraw/zinc/69/46/78/352694678.db2.gz HYIXEAFPVTZXML-UHFFFAOYSA-N 0 0 245.120 2.411 10 0 BEAERN Cn1cnnc1-c1cc(F)ccc1Cl ZINC000307618457 352675631 /nfs/dbraw/zinc/67/56/31/352675631.db2.gz YWWXCQYUARFYKE-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN CCc1c(C)nn([C@H]2CCOC2)c1Cl ZINC000307639690 352725998 /nfs/dbraw/zinc/72/59/98/352725998.db2.gz FWQXTMMZECQYHI-QMMMGPOBSA-N 0 0 214.696 2.369 10 0 BEAERN CN(C)c1cc(N)ccc1Br ZINC000032013037 352735414 /nfs/dbraw/zinc/73/54/14/352735414.db2.gz CFLRRCADOHKXQE-UHFFFAOYSA-N 0 0 215.094 2.097 10 0 BEAERN OCc1c[nH]c(-c2ccsc2Cl)n1 ZINC000307649903 352741120 /nfs/dbraw/zinc/74/11/20/352741120.db2.gz JEUXPKIXNFEORT-UHFFFAOYSA-N 0 0 214.677 2.284 10 0 BEAERN Cc1c([C@H]2CCOC2)nc2sccn12 ZINC000307653374 352742595 /nfs/dbraw/zinc/74/25/95/352742595.db2.gz PIHWHCOVTOXRDA-QMMMGPOBSA-N 0 0 208.286 2.208 10 0 BEAERN CC(=O)c1nc(-c2nccnc2C)cs1 ZINC000232488563 352748396 /nfs/dbraw/zinc/74/83/96/352748396.db2.gz IUROQTYTTMAAIM-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN Brc1cnc(N[C@H]2CCOC2)s1 ZINC000307683929 352860501 /nfs/dbraw/zinc/86/05/01/352860501.db2.gz VDVNYNBLNUMAAK-YFKPBYRVSA-N 0 0 249.133 2.106 10 0 BEAERN Nc1ccc(=O)n(Cc2sccc2Cl)c1 ZINC000308889972 538105995 /nfs/dbraw/zinc/10/59/95/538105995.db2.gz QVRUYGBLLGFJQX-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN COc1cc(O)c2c(=O)oc(C)cc2c1Cl ZINC000013386219 187906439 /nfs/dbraw/zinc/90/64/39/187906439.db2.gz OLFVCAXSCZMHMU-UHFFFAOYSA-N 0 0 240.642 2.469 10 0 biogenic,in-vitro BEAERN CC(C)(C)[C@H](O)C(=O)c1cccc(F)c1 ZINC000232506692 352933931 /nfs/dbraw/zinc/93/39/31/352933931.db2.gz KWCQJAGOCJZXSP-LLVKDONJSA-N 0 0 210.248 2.415 10 0 BEAERN Cc1cc(N2CCC[C@H]2C)nc(Cl)n1 ZINC000052814452 352983276 /nfs/dbraw/zinc/98/32/76/352983276.db2.gz ABHKHOCXQBSUAO-MRVPVSSYSA-N 0 0 211.696 2.427 10 0 BEAERN FC(F)COc1cc(Cl)nc(Cl)n1 ZINC000306149357 352984578 /nfs/dbraw/zinc/98/45/78/352984578.db2.gz DUIRLFKWQONINY-UHFFFAOYSA-N 0 0 229.013 2.427 10 0 BEAERN CC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000000362072 187924831 /nfs/dbraw/zinc/92/48/31/187924831.db2.gz JHNTWXAOTQSWPG-UHFFFAOYSA-N 0 0 230.311 2.408 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)CCCCO ZINC000092173970 538106171 /nfs/dbraw/zinc/10/61/71/538106171.db2.gz MKFXPQFJVISYRC-LBPRGKRZSA-N 0 0 235.327 2.335 10 0 BEAERN Cc1nc(C(=O)c2ccsn2)cs1 ZINC000307696841 352969519 /nfs/dbraw/zinc/96/95/19/352969519.db2.gz LDGGNHUEJAGZFV-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN Fc1cccc(F)c1NC1CSC1 ZINC000306560643 353025131 /nfs/dbraw/zinc/02/51/31/353025131.db2.gz BFZLHWQBBJWELX-UHFFFAOYSA-N 0 0 201.241 2.492 10 0 BEAERN C[C@@]1(O)CCCN(CC(Cl)(Cl)Cl)C1 ZINC000306563260 353025493 /nfs/dbraw/zinc/02/54/93/353025493.db2.gz VLFZJNOVCSUGTH-SSDOTTSWSA-N 0 0 246.565 2.203 10 0 BEAERN CC(C)N(CCCO)c1ccc([C@H](C)O)cc1 ZINC000042511040 187946956 /nfs/dbraw/zinc/94/69/56/187946956.db2.gz LJXBFRMJCFAVNY-LBPRGKRZSA-N 0 0 237.343 2.337 10 0 BEAERN CC(C)(C)Nc1cc(Br)nc(N)n1 ZINC000306218552 352995344 /nfs/dbraw/zinc/99/53/44/352995344.db2.gz OOHAMUFGDDHMLD-UHFFFAOYSA-N 0 0 245.124 2.032 10 0 BEAERN Cn1ncc2c1C[C@H](c1cccs1)C[C@@H]2O ZINC000072415847 180827761 /nfs/dbraw/zinc/82/77/61/180827761.db2.gz CKNVSURUJLVAMN-KWQFWETISA-N 0 0 234.324 2.245 10 0 BEAERN Cc1sccc1[C@H](NN)C(C)(F)F ZINC000306251479 353000525 /nfs/dbraw/zinc/00/05/25/353000525.db2.gz ZWXQQFFTDZDJPC-ZETCQYMHSA-N 0 0 206.261 2.216 10 0 BEAERN Nc1cccnc1-n1cnc2ccccc21 ZINC000019259845 187935138 /nfs/dbraw/zinc/93/51/38/187935138.db2.gz FSYNQWFRLOESBV-UHFFFAOYSA-N 0 0 210.240 2.003 10 0 BEAERN COc1ccc([C@H](O)Cc2cnc(C)cn2)cc1 ZINC000032134655 187937866 /nfs/dbraw/zinc/93/78/66/187937866.db2.gz UKOAWZYHPWSZGT-CQSZACIVSA-N 0 0 244.294 2.070 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nc(C)cc(OC)n1 ZINC000231663196 538107005 /nfs/dbraw/zinc/10/70/05/538107005.db2.gz FOHOTMJXPYILDK-NXEZZACHSA-N 0 0 221.304 2.394 10 0 BEAERN COc1cc(C(=O)C(F)F)ccc1F ZINC000306393212 353008826 /nfs/dbraw/zinc/00/88/26/353008826.db2.gz DLINSYMNVNQKID-UHFFFAOYSA-N 0 0 204.147 2.282 10 0 BEAERN C[C@]1(c2nc(N)cs2)CCCS1 ZINC000307307377 353067653 /nfs/dbraw/zinc/06/76/53/353067653.db2.gz VFAUPBPSHYDPER-MRVPVSSYSA-N 0 0 200.332 2.468 10 0 BEAERN CCNC(=S)NCc1csc(C)c1 ZINC000307348128 353070201 /nfs/dbraw/zinc/07/02/01/353070201.db2.gz NSUBKUWYVUJEEW-UHFFFAOYSA-N 0 0 214.359 2.041 10 0 BEAERN CCCNc1ccc(Cl)c(C(=O)N(C)C)n1 ZINC000050723914 187953547 /nfs/dbraw/zinc/95/35/47/187953547.db2.gz DNRCFDFMCYVHPF-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN C[C@@H]1CCC[C@@H]([C@H](NN)C(C)(F)F)C1 ZINC000306785144 353037687 /nfs/dbraw/zinc/03/76/87/353037687.db2.gz SXXRNWCFLWQMAX-HLTSFMKQSA-N 0 0 206.280 2.300 10 0 BEAERN Clc1nsnc1NCCC1CCOCC1 ZINC000306795820 353038559 /nfs/dbraw/zinc/03/85/59/353038559.db2.gz GWRIFJLTXZTLBR-UHFFFAOYSA-N 0 0 247.751 2.420 10 0 BEAERN O[C@H](Cc1cncs1)[C@@H]1CCCSC1 ZINC000306820935 353041611 /nfs/dbraw/zinc/04/16/11/353041611.db2.gz JREJORLEYSTVIW-PSASIEDQSA-N 0 0 229.370 2.190 10 0 BEAERN COC(=O)C=CNc1ccc(F)c(C)c1 ZINC000393708018 353043741 /nfs/dbraw/zinc/04/37/41/353043741.db2.gz JGNBSTJKZSYEKL-WAYWQWQTSA-N 0 0 209.220 2.233 10 0 BEAERN C[C@@H](Nc1nccnc1Cl)C(F)F ZINC000306952765 353047215 /nfs/dbraw/zinc/04/72/15/353047215.db2.gz FGQCNGIOTZGKKW-SCSAIBSYSA-N 0 0 207.611 2.196 10 0 BEAERN C[C@@H]1CN(OCc2ccccc2)CCC1=O ZINC000307418962 353076332 /nfs/dbraw/zinc/07/63/32/353076332.db2.gz MHGYUCHFUDLDCJ-LLVKDONJSA-N 0 0 219.284 2.029 10 0 BEAERN N#CNCc1cc(Br)ccc1F ZINC000052832632 353108550 /nfs/dbraw/zinc/10/85/50/353108550.db2.gz SBGZFPYVADDYIR-UHFFFAOYSA-N 0 0 229.052 2.159 10 0 BEAERN CC(C)C[C@@H](C)n1cnc(Cl)c(N)c1=O ZINC000307720931 353110707 /nfs/dbraw/zinc/11/07/07/353110707.db2.gz VDPCCMFNMAYGQX-SSDOTTSWSA-N 0 0 229.711 2.086 10 0 BEAERN Nc1cccc(NC(=O)C(F)(F)F)c1Cl ZINC000307491629 353079393 /nfs/dbraw/zinc/07/93/93/353079393.db2.gz GJYCSBNTQQONJX-UHFFFAOYSA-N 0 0 238.596 2.423 10 0 BEAERN CC[S@@](=O)Nc1cc(N)ccc1Cl ZINC000307505779 353080082 /nfs/dbraw/zinc/08/00/82/353080082.db2.gz LHPIBNJWWUTFRF-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN CSc1ccc(NC[C@@H]2CCCOC2)nn1 ZINC000301232330 187989637 /nfs/dbraw/zinc/98/96/37/187989637.db2.gz BGTHVHORFFHEAA-VIFPVBQESA-N 0 0 239.344 2.037 10 0 BEAERN C[C@H]1CCCc2nc(C(F)F)cc(=O)n21 ZINC000536950954 323955636 /nfs/dbraw/zinc/95/56/36/323955636.db2.gz MPBUZHUJIJFUGW-LURJTMIESA-N 0 0 214.215 2.078 10 0 BEAERN CC(=O)c1sc(-c2cn[nH]c2)nc1C ZINC000307644298 353090452 /nfs/dbraw/zinc/09/04/52/353090452.db2.gz SXHVUFCURMCZJL-UHFFFAOYSA-N 0 0 207.258 2.044 10 0 BEAERN CN(Cc1cncs1)c1cnc(Cl)cn1 ZINC000307667874 353091368 /nfs/dbraw/zinc/09/13/68/353091368.db2.gz PMPATPZBYLQHFK-UHFFFAOYSA-N 0 0 240.719 2.223 10 0 BEAERN Cc1ccc(NCC2OCCO2)c(Cl)c1 ZINC000307708703 353099826 /nfs/dbraw/zinc/09/98/26/353099826.db2.gz JWHBKTGBGQSLPO-UHFFFAOYSA-N 0 0 227.691 2.433 10 0 BEAERN CC(C)c1cc(=O)n2c(n1)CCC[C@H]2C ZINC000536951589 323956425 /nfs/dbraw/zinc/95/64/25/323956425.db2.gz SUFHWBFQYODDEE-SECBINFHSA-N 0 0 206.289 2.264 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1N ZINC000021969215 188008779 /nfs/dbraw/zinc/00/87/79/188008779.db2.gz PNHAODGHOFICPC-SVRRBLITSA-N 0 0 208.236 2.002 10 0 BEAERN CCOC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000033504379 188011530 /nfs/dbraw/zinc/01/15/30/188011530.db2.gz QTSSAQZLIITOFS-JQWIXIFHSA-N 0 0 208.232 2.434 10 0 BEAERN NN[C@H](c1c(F)cccc1Cl)C(F)F ZINC000307748788 353126186 /nfs/dbraw/zinc/12/61/86/353126186.db2.gz DDFFXBRIBHLVSF-SSDOTTSWSA-N 0 0 224.613 2.249 10 0 BEAERN C[C@H]1C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284215349 188032979 /nfs/dbraw/zinc/03/29/79/188032979.db2.gz CLOVHIIRWIGOPW-GXSJLCMTSA-N 0 0 219.332 2.272 10 0 BEAERN CN(C)c1c(Br)cccc1C=O ZINC000299889751 188043360 /nfs/dbraw/zinc/04/33/60/188043360.db2.gz OENZOKTZMZDDHA-UHFFFAOYSA-N 0 0 228.089 2.328 10 0 BEAERN C[C@H]1OCC[C@H]1Sc1ccnc(Cl)n1 ZINC000229329706 353121231 /nfs/dbraw/zinc/12/12/31/353121231.db2.gz OYWWWRXLWXAWAW-RNFRBKRXSA-N 0 0 230.720 2.400 10 0 BEAERN Brc1cc(NC2CC=CC2)ncn1 ZINC000229328414 353121271 /nfs/dbraw/zinc/12/12/71/353121271.db2.gz TVSDLTSTFGUFCS-UHFFFAOYSA-N 0 0 240.104 2.370 10 0 BEAERN C[C@@H]1OCC[C@H]1Sc1ccnc(Cl)n1 ZINC000229329694 353121294 /nfs/dbraw/zinc/12/12/94/353121294.db2.gz OYWWWRXLWXAWAW-NKWVEPMBSA-N 0 0 230.720 2.400 10 0 BEAERN Clc1nnc(Cl)c(NC2CC=CC2)n1 ZINC000229329130 353121300 /nfs/dbraw/zinc/12/13/00/353121300.db2.gz PILXCDYMOGXBTH-UHFFFAOYSA-N 0 0 231.086 2.309 10 0 BEAERN CNC(=O)c1ccccc1-c1cc(C)no1 ZINC000138535447 188051123 /nfs/dbraw/zinc/05/11/23/188051123.db2.gz LJPRLDMHEPPMQW-UHFFFAOYSA-N 0 0 216.240 2.010 10 0 BEAERN Nc1cccnc1S[C@@H]1CCSC1 ZINC000405202136 353143512 /nfs/dbraw/zinc/14/35/12/353143512.db2.gz BGNGNFAIJAAFLB-SSDOTTSWSA-N 0 0 212.343 2.261 10 0 BEAERN Cc1ccc(F)c(C2N=NC(=S)O2)c1 ZINC000052984311 353149989 /nfs/dbraw/zinc/14/99/89/353149989.db2.gz SXMBHRGPSZFPIR-UHFFFAOYSA-N 0 0 210.233 2.473 10 0 BEAERN Nc1ccc(S[C@H]2CCSC2)nc1 ZINC000405248213 353151941 /nfs/dbraw/zinc/15/19/41/353151941.db2.gz DPCVSNRLWBRCJN-QMMMGPOBSA-N 0 0 212.343 2.261 10 0 BEAERN CN(C)NCc1ccc(Br)c(F)c1 ZINC000134037356 353154632 /nfs/dbraw/zinc/15/46/32/353154632.db2.gz SAZCMOCTXFBHRT-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN COc1cc(C=O)cc(OC)c1Cl ZINC000013385871 353156630 /nfs/dbraw/zinc/15/66/30/353156630.db2.gz GTEZQOCVTNORJP-UHFFFAOYSA-N 0 0 200.621 2.170 10 0 endogenous,in-man BEAERN CC(C)c1nn(C)cc1-c1cncc(C=O)c1 ZINC000166539881 538109433 /nfs/dbraw/zinc/10/94/33/538109433.db2.gz BJSSNZHJSGTGKU-UHFFFAOYSA-N 0 0 229.283 2.418 10 0 BEAERN CCC[C@H]1CCC[C@H]1NCC(F)(F)CO ZINC000336759238 353168656 /nfs/dbraw/zinc/16/86/56/353168656.db2.gz KKQWMXGBCACJED-VHSXEESVSA-N 0 0 221.291 2.172 10 0 BEAERN CCC[C@@H]1CCC(=O)[C@@H](C(OC)OC)C1 ZINC000121999620 538110269 /nfs/dbraw/zinc/11/02/69/538110269.db2.gz TVCIQASSZCMFMO-ZJUUUORDSA-N 0 0 214.305 2.391 10 0 BEAERN O[C@H](Cc1cccc(Cl)c1)c1cn[nH]c1 ZINC000309089117 538110294 /nfs/dbraw/zinc/11/02/94/538110294.db2.gz CQJCNANHCUTRIH-LLVKDONJSA-N 0 0 222.675 2.339 10 0 BEAERN CCc1cccc([C@H](O)c2cn[nH]c2)c1 ZINC000309109208 538110408 /nfs/dbraw/zinc/11/04/08/538110408.db2.gz NKQVKAOWZLFTCA-LBPRGKRZSA-N 0 0 202.257 2.054 10 0 BEAERN O[C@H](c1cn[nH]c1)c1c(F)cccc1Cl ZINC000309108492 538110477 /nfs/dbraw/zinc/11/04/77/538110477.db2.gz NDHPDZKWEWRXCS-SNVBAGLBSA-N 0 0 226.638 2.284 10 0 BEAERN FC(F)(F)Oc1ccnc2cc[nH]c21 ZINC000089221134 180887412 /nfs/dbraw/zinc/88/74/12/180887412.db2.gz LPKWLQJNSWGWJY-UHFFFAOYSA-N 0 0 202.135 2.462 10 0 BEAERN FC(F)(F)[C@@H]1COc2ccccc2N1 ZINC000071372599 180889526 /nfs/dbraw/zinc/88/95/26/180889526.db2.gz BDHQHFBJYYYQOI-QMMMGPOBSA-N 0 0 203.163 2.422 10 0 BEAERN FC(F)(F)[C@@H](NCc1ccccc1)[C@@H]1CO1 ZINC000021988055 180889599 /nfs/dbraw/zinc/88/95/99/180889599.db2.gz MQDUDZLVXQXSAI-UWVGGRQHSA-N 0 0 231.217 2.106 10 0 BEAERN Cc1cc(N)cc(NC(=O)CC(F)(F)F)c1 ZINC000638991815 353223064 /nfs/dbraw/zinc/22/30/64/353223064.db2.gz BJQOGNKTBCLREG-UHFFFAOYSA-N 0 0 232.205 2.468 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc2c(c1)C(=O)NC2 ZINC000134498419 538112731 /nfs/dbraw/zinc/11/27/31/538112731.db2.gz PNJVCEULQBHWGM-SECBINFHSA-N 0 0 218.300 2.386 10 0 BEAERN Cc1nc([C@H]2N[C@H](C)CS2)cs1 ZINC000126784685 353255318 /nfs/dbraw/zinc/25/53/18/353255318.db2.gz GPEOUHPGPHCAIZ-XRGYYRRGSA-N 0 0 200.332 2.175 10 0 BEAERN CC[C@H](NN)[C@@H]1CSc2ccccc21 ZINC000126877698 353257110 /nfs/dbraw/zinc/25/71/10/353257110.db2.gz ZFVIURXTQXDKLX-ZJUUUORDSA-N 0 0 208.330 2.118 10 0 BEAERN Cn1nc([C@H]2CCCCS2)[nH]c1=S ZINC000127755502 353272257 /nfs/dbraw/zinc/27/22/57/353272257.db2.gz HJJBMTCQOMKQPM-ZCFIWIBFSA-N 0 0 215.347 2.062 10 0 BEAERN CSC[C@@H](C)Nc1nsnc1Cl ZINC000127909386 353280086 /nfs/dbraw/zinc/28/00/86/353280086.db2.gz YWZFRWXLMZSAQU-SCSAIBSYSA-N 0 0 223.754 2.355 10 0 BEAERN CC1(C)CCC([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000309461933 538114216 /nfs/dbraw/zinc/11/42/16/538114216.db2.gz RDZAHPBOCJCNOW-WDEREUQCSA-N 0 0 225.332 2.123 10 0 BEAERN CC1(C)CCC([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000309461931 538114235 /nfs/dbraw/zinc/11/42/35/538114235.db2.gz RDZAHPBOCJCNOW-MNOVXSKESA-N 0 0 225.332 2.123 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000360561806 188242955 /nfs/dbraw/zinc/24/29/55/188242955.db2.gz PKDQSYGCQBKXAD-XQQFMLRXSA-N 0 0 241.375 2.478 10 0 BEAERN CC(=O)CCN1CCC[C@H]1c1nccs1 ZINC000373972167 188248831 /nfs/dbraw/zinc/24/88/31/188248831.db2.gz BJGSIZLBNJXHIT-JTQLQIEISA-N 0 0 224.329 2.259 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000121315395 188249625 /nfs/dbraw/zinc/24/96/25/188249625.db2.gz DRAPOFCPEGXNNV-HBNTYKKESA-N 0 0 213.321 2.105 10 0 BEAERN COc1ccccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121728028 188249717 /nfs/dbraw/zinc/24/97/17/188249717.db2.gz PJYXHUJTTNFYKX-CABZTGNLSA-N 0 0 235.283 2.201 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cccc2c[nH]nc21 ZINC000044225126 188258118 /nfs/dbraw/zinc/25/81/18/188258118.db2.gz VHOFLSOFSRHFQD-VIFPVBQESA-N 0 0 231.299 2.337 10 0 BEAERN CC(C)[C@@H]1NCc2cc(Cl)ccc2NC1=O ZINC000090766567 188271496 /nfs/dbraw/zinc/27/14/96/188271496.db2.gz PMKFCXZNXCGUQC-NSHDSACASA-N 0 0 238.718 2.406 10 0 BEAERN O=c1[nH]c(-c2ncccc2O)nc2ccccc21 ZINC000001849178 188274100 /nfs/dbraw/zinc/27/41/00/188274100.db2.gz DFLPHUUSUILRHI-UHFFFAOYSA-N 0 0 239.234 2.103 10 0 BEAERN CCn1nc(C)cc1C(=O)N(C)c1ccccc1 ZINC000013699966 188280154 /nfs/dbraw/zinc/28/01/54/188280154.db2.gz BRCRNYLJDLVYSE-UHFFFAOYSA-N 0 0 243.310 2.488 10 0 BEAERN CC(C)C[C@@H]1Nc2ccccc2NC1=O ZINC000019045520 188280338 /nfs/dbraw/zinc/28/03/38/188280338.db2.gz VVQMXBDKNOVZGW-NSHDSACASA-N 0 0 204.273 2.465 10 0 BEAERN Cc1ccc(N)c(C)c1NC(=O)[C@H]1C[C@H]1C ZINC000019435038 188280593 /nfs/dbraw/zinc/28/05/93/188280593.db2.gz FQSFFKOYGDAYGI-SCZZXKLOSA-N 0 0 218.300 2.480 10 0 BEAERN Cc1cc(C)n(Cc2cccc(C(N)=S)c2)n1 ZINC000019473935 188281035 /nfs/dbraw/zinc/28/10/35/188281035.db2.gz OYAJXVIXPKDFBB-UHFFFAOYSA-N 0 0 245.351 2.182 10 0 BEAERN COc1c(O)cc(C=O)c2ccccc21 ZINC000039250074 188282859 /nfs/dbraw/zinc/28/28/59/188282859.db2.gz VNMPXMTXKUOAJA-UHFFFAOYSA-N 0 0 202.209 2.367 10 0 BEAERN O=C1NC(=O)C(=CC=Cc2ccco2)S1 ZINC000027533601 188283325 /nfs/dbraw/zinc/28/33/25/188283325.db2.gz XKFYQGRJEQOFAV-JOEIGAFWSA-N 0 0 221.237 2.160 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)c1c[nH]c2ncccc12 ZINC000034976931 188284998 /nfs/dbraw/zinc/28/49/98/188284998.db2.gz VKBFNIRMKALPBB-CBAPKCEASA-N 0 0 200.241 2.402 10 0 BEAERN CCCc1nccn1C[C@@H](O)C(C)(C)C ZINC000069964402 188285566 /nfs/dbraw/zinc/28/55/66/188285566.db2.gz FVKWTBFKZAWTDV-SNVBAGLBSA-N 0 0 210.321 2.243 10 0 BEAERN CCN(C)c1ccc(Br)cc1N ZINC000037078325 188285812 /nfs/dbraw/zinc/28/58/12/188285812.db2.gz LNOIULRCLSTMBJ-UHFFFAOYSA-N 0 0 229.121 2.487 10 0 BEAERN C[C@H]1C[C@H]1Nc1nc2ccccc2n1C ZINC000070609124 188285918 /nfs/dbraw/zinc/28/59/18/188285918.db2.gz JUUWIYZESIVXNA-WCBMZHEXSA-N 0 0 201.273 2.394 10 0 BEAERN Nc1cnc2cc(C3CCCCC3)nn2c1 ZINC000071467827 188287205 /nfs/dbraw/zinc/28/72/05/188287205.db2.gz BYLPMCZGRUHJSA-UHFFFAOYSA-N 0 0 216.288 2.359 10 0 BEAERN CC(=O)Nc1c(C)cc(Br)cc1N ZINC000037408927 188287221 /nfs/dbraw/zinc/28/72/21/188287221.db2.gz GOCXPWALQVBKNW-UHFFFAOYSA-N 0 0 243.104 2.298 10 0 BEAERN CC(C)[C@H](Nc1cccc(Cl)c1)C(N)=O ZINC000041041987 188292524 /nfs/dbraw/zinc/29/25/24/188292524.db2.gz WPSFXZCGYJTMRW-JTQLQIEISA-N 0 0 226.707 2.262 10 0 BEAERN Cc1cc(N)ccc1-c1n[nH]c(C(C)C)n1 ZINC000044750406 188296819 /nfs/dbraw/zinc/29/68/19/188296819.db2.gz BWKBTRJFOWDUOV-UHFFFAOYSA-N 0 0 216.288 2.486 10 0 BEAERN CC(C)(C)c1c(CO)nnn1-c1ccc(F)cc1 ZINC000045892628 188297443 /nfs/dbraw/zinc/29/74/43/188297443.db2.gz DAVKMYQLSOHDLB-UHFFFAOYSA-N 0 0 249.289 2.196 10 0 BEAERN CC(=O)c1ccc(OCCn2ccnc2C)cc1 ZINC000049330527 188299277 /nfs/dbraw/zinc/29/92/77/188299277.db2.gz NHRXCNNBSVCSMT-UHFFFAOYSA-N 0 0 244.294 2.473 10 0 BEAERN COCc1cc(=O)[nH]c(-c2cc(C)ccc2C)n1 ZINC000051700172 188299540 /nfs/dbraw/zinc/29/95/40/188299540.db2.gz JFQYRXJUTOIKHN-UHFFFAOYSA-N 0 0 244.294 2.200 10 0 BEAERN CC(=O)N[C@@H](C)CSc1ccccc1 ZINC000058581357 188302541 /nfs/dbraw/zinc/30/25/41/188302541.db2.gz DCKGVDQXKBHNLI-VIFPVBQESA-N 0 0 209.314 2.303 10 0 BEAERN CC(C)CSc1ncnc(Cl)c1N ZINC000062365381 188303204 /nfs/dbraw/zinc/30/32/04/188303204.db2.gz AVQGTAZHEPQVHW-UHFFFAOYSA-N 0 0 217.725 2.460 10 0 BEAERN CC1(c2cccc(Cl)c2)CC(=O)NC(=O)C1 ZINC000062950816 188304294 /nfs/dbraw/zinc/30/42/94/188304294.db2.gz ZHNWSXXHTPOJHC-UHFFFAOYSA-N 0 0 237.686 2.034 10 0 BEAERN CC(C)(C)c1n[nH]c(-c2ccccn2)n1 ZINC000090764678 188304896 /nfs/dbraw/zinc/30/48/96/188304896.db2.gz XIHDQQFQADAUCR-UHFFFAOYSA-N 0 0 202.261 2.164 10 0 BEAERN CCOC(=O)CSCc1ccc(C)c(O)c1 ZINC000098203762 188322336 /nfs/dbraw/zinc/32/23/36/188322336.db2.gz SDTIFJNOBXZKER-UHFFFAOYSA-N 0 0 240.324 2.497 10 0 BEAERN NC(=S)c1ccc(O)c(C(F)(F)F)c1 ZINC000083350929 188316232 /nfs/dbraw/zinc/31/62/32/188316232.db2.gz HMSGZBVEOLOSIC-UHFFFAOYSA-N 0 0 221.203 2.045 10 0 BEAERN CC(C)Nc1snc(N)c1OC(C)C ZINC000232747078 353327477 /nfs/dbraw/zinc/32/74/77/353327477.db2.gz QSBXHZIMXLXZCV-UHFFFAOYSA-N 0 0 215.322 2.333 10 0 BEAERN CSc1ccc(C[C@@H](C)NC=O)cc1 ZINC000049802813 188327508 /nfs/dbraw/zinc/32/75/08/188327508.db2.gz PSGLTJGRSQLNST-SECBINFHSA-N 0 0 209.314 2.086 10 0 BEAERN CC(C)Cc1ncc2c(n1)CCC[C@@H]2[NH3+] ZINC000050094068 188328268 /nfs/dbraw/zinc/32/82/68/188328268.db2.gz NEXMYOMUIALKTI-JTQLQIEISA-N 0 0 205.305 2.011 10 0 BEAERN CC(=O)NCc1cnc(Cl)c(Cl)c1 ZINC000118854014 188328323 /nfs/dbraw/zinc/32/83/23/188328323.db2.gz WXHAAEAVYIZQSI-UHFFFAOYSA-N 0 0 219.071 2.025 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000121509644 188329329 /nfs/dbraw/zinc/32/93/29/188329329.db2.gz GANHPBUGQIRKSH-WDEREUQCSA-N 0 0 249.358 2.380 10 0 BEAERN Cc1cc(N)nc(-c2ccc(F)cc2)n1 ZINC000050845058 188329442 /nfs/dbraw/zinc/32/94/42/188329442.db2.gz WYNZGHJGCSCFRU-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN CSC[C@@H](C)NC(=O)Cc1ccc(C)s1 ZINC000131317274 188331545 /nfs/dbraw/zinc/33/15/45/188331545.db2.gz UEWFOYXYDBHSPI-MRVPVSSYSA-N 0 0 243.397 2.467 10 0 BEAERN CNc1ncccc1CSc1nncs1 ZINC000052756157 188334107 /nfs/dbraw/zinc/33/41/07/188334107.db2.gz UNPMGPWTLUEROV-UHFFFAOYSA-N 0 0 238.341 2.267 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000103373095 188336092 /nfs/dbraw/zinc/33/60/92/188336092.db2.gz CESSVQHDRLRWFR-WOPDTQHZSA-N 0 0 227.348 2.306 10 0 BEAERN C[C@H]1CN(C(=O)c2ccc(F)cc2)CCS1 ZINC000122497535 188356029 /nfs/dbraw/zinc/35/60/29/188356029.db2.gz DQMZVLZRZXNYPK-VIFPVBQESA-N 0 0 239.315 2.403 10 0 BEAERN CON[C@H](C)c1ccc(Br)o1 ZINC000131757698 353372721 /nfs/dbraw/zinc/37/27/21/353372721.db2.gz UKHPGENQBHHBEH-RXMQYKEDSA-N 0 0 220.066 2.254 10 0 BEAERN CC(=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000019409923 188349467 /nfs/dbraw/zinc/34/94/67/188349467.db2.gz AOIVWBNUTBNXFS-SECBINFHSA-N 0 0 239.702 2.496 10 0 BEAERN CC(=O)CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000019412524 188349783 /nfs/dbraw/zinc/34/97/83/188349783.db2.gz HKEGMOUMXUZLPP-VIFPVBQESA-N 0 0 239.702 2.496 10 0 BEAERN NC(=S)c1ccc(COCC2CC2)cc1 ZINC000019870860 188351220 /nfs/dbraw/zinc/35/12/20/188351220.db2.gz NMKAMCQAVRLTLO-UHFFFAOYSA-N 0 0 221.325 2.247 10 0 BEAERN CC(C)(C)[C@H]1CC[C@](C[NH3+])(CC(=O)[O-])C1 ZINC000033975535 188359679 /nfs/dbraw/zinc/35/96/79/188359679.db2.gz IXSSATLCJUPVIE-JOYOIKCWSA-N 0 0 213.321 2.252 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(F)F ZINC000223240960 353400834 /nfs/dbraw/zinc/40/08/34/353400834.db2.gz MHKQQJFBTLFSJH-UHFFFAOYSA-N 0 0 216.183 2.383 10 0 BEAERN On1c2ccccc2nc1-c1ccncc1 ZINC000253577665 188369502 /nfs/dbraw/zinc/36/95/02/188369502.db2.gz XICNLFGBHXQXQJ-UHFFFAOYSA-N 0 0 211.224 2.336 10 0 BEAERN CC(=O)Nc1nc(Cl)c(N2CCCC2)s1 ZINC000090759780 188385409 /nfs/dbraw/zinc/38/54/09/188385409.db2.gz QRYQBYPNLLJKNU-UHFFFAOYSA-N 0 0 245.735 2.355 10 0 BEAERN CNc1cc(Br)ncc1C ZINC000299889817 188397258 /nfs/dbraw/zinc/39/72/58/188397258.db2.gz PDNNQQYUNZAIKS-UHFFFAOYSA-N 0 0 201.067 2.194 10 0 BEAERN CO[C@H](C)c1nc(Br)ns1 ZINC000230109334 353467174 /nfs/dbraw/zinc/46/71/74/353467174.db2.gz JMKXURAMGBJCEY-GSVOUGTGSA-N 0 0 223.095 2.008 10 0 BEAERN Nc1nccnc1Sc1ccccc1 ZINC000230678708 353521449 /nfs/dbraw/zinc/52/14/49/353521449.db2.gz XBEKFBOCVYZQRK-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN Fc1ccc(NCc2csnn2)c(F)c1 ZINC000036901943 180978644 /nfs/dbraw/zinc/97/86/44/180978644.db2.gz VPLHJQGRHHUJOS-UHFFFAOYSA-N 0 0 227.239 2.428 10 0 BEAERN CC(C)[C@@H](C)Sc1ccc(N)c(N)n1 ZINC000232825294 353634331 /nfs/dbraw/zinc/63/43/31/353634331.db2.gz FAQDXLMVGVHUTJ-SSDOTTSWSA-N 0 0 211.334 2.383 10 0 BEAERN CC1(C)C[C@H]1c1ncc(Br)c(N)n1 ZINC000232825236 353634396 /nfs/dbraw/zinc/63/43/96/353634396.db2.gz CDFPHDAGIKLVGQ-YFKPBYRVSA-N 0 0 242.120 2.335 10 0 BEAERN Nc1nc(Cl)c(Br)c(C2CC2)n1 ZINC000096304581 353656540 /nfs/dbraw/zinc/65/65/40/353656540.db2.gz KGZNQNUGJWADPX-UHFFFAOYSA-N 0 0 248.511 2.352 10 0 BEAERN COc1ccccc1[C@@H](O)Cc1ccncc1 ZINC000053134308 353749546 /nfs/dbraw/zinc/74/95/46/353749546.db2.gz PTLDFYKCCDVJJH-ZDUSSCGKSA-N 0 0 229.279 2.366 10 0 BEAERN O[C@H](c1c(F)cc(F)cc1F)C(F)F ZINC000129608767 353826160 /nfs/dbraw/zinc/82/61/60/353826160.db2.gz JIIGPNAIGWGRIU-SSDOTTSWSA-N 0 0 212.117 2.402 10 0 BEAERN C[C@@H]1COCC[C@@]1(O)Cc1ccsc1 ZINC000300989189 363260510 /nfs/dbraw/zinc/26/05/10/363260510.db2.gz JCZIXGXYLQALHH-MWLCHTKSSA-N 0 0 212.314 2.078 10 0 BEAERN CC1(C)C[C@@H]1c1ncc(Br)c(N)n1 ZINC000232863007 353874974 /nfs/dbraw/zinc/87/49/74/353874974.db2.gz CDFPHDAGIKLVGQ-RXMQYKEDSA-N 0 0 242.120 2.335 10 0 BEAERN C/C=C\COc1ncc(N)cc1Br ZINC000308102559 353879153 /nfs/dbraw/zinc/87/91/53/353879153.db2.gz IJAZNHDPYXPBEO-IHWYPQMZSA-N 0 0 243.104 2.381 10 0 BEAERN CC1(C)C[C@@H]1C1N=NC(=S)N1C1CC1 ZINC000232865883 353880026 /nfs/dbraw/zinc/88/00/26/353880026.db2.gz CVCHDKWXSOXWOE-SSDOTTSWSA-N 0 0 209.318 2.415 10 0 BEAERN CCC(C)(C)Oc1nc(Cl)ncc1N ZINC000232870346 353963542 /nfs/dbraw/zinc/96/35/42/353963542.db2.gz ULZVICXTDQGGGC-UHFFFAOYSA-N 0 0 215.684 2.280 10 0 BEAERN CC[C@@](C)(CCO)Nc1ncncc1Cl ZINC000230405101 363307704 /nfs/dbraw/zinc/30/77/04/363307704.db2.gz XRRZRHHYEZXYLF-JTQLQIEISA-N 0 0 229.711 2.093 10 0 BEAERN O=C(C1CCCC1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334567326 354089601 /nfs/dbraw/zinc/08/96/01/354089601.db2.gz TWTAFIMXQOCGOZ-QWHCGFSZSA-N 0 0 249.354 2.204 10 0 BEAERN Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C ZINC000334595614 354228677 /nfs/dbraw/zinc/22/86/77/354228677.db2.gz KETRRLRCGMQRKN-YUMQZZPRSA-N 0 0 226.345 2.374 10 0 BEAERN Nc1nnc([C@@H]2CCC(F)(F)C2)s1 ZINC000301042611 363369361 /nfs/dbraw/zinc/36/93/61/363369361.db2.gz ZYUNYYXUAPFENS-SCSAIBSYSA-N 0 0 205.233 2.023 10 0 BEAERN CCOC(=O)c1cccc(C(C)=O)c1C ZINC000014984988 363371895 /nfs/dbraw/zinc/37/18/95/363371895.db2.gz QFWJYQJJRYZDJR-UHFFFAOYSA-N 0 0 206.241 2.374 10 0 BEAERN CC(C)c1ccccc1OCc1nc(N)n[nH]1 ZINC000004227380 354350100 /nfs/dbraw/zinc/35/01/00/354350100.db2.gz JPSCAYFLKLQAIT-UHFFFAOYSA-N 0 0 232.287 2.089 10 0 BEAERN CC(C)(C)c1ccccc1OCc1nc(N)n[nH]1 ZINC000004227385 354350725 /nfs/dbraw/zinc/35/07/25/354350725.db2.gz OZPNXBQQWQAKNS-UHFFFAOYSA-N 0 0 246.314 2.263 10 0 BEAERN Cc1cccc(N2CC3(CCC3)[C@@H]3COC[C@H]32)n1 ZINC000334730284 354530362 /nfs/dbraw/zinc/53/03/62/354530362.db2.gz IEZKZZDJNDPPCN-CHWSQXEVSA-N 0 0 244.338 2.395 10 0 BEAERN O=C(N[C@H]1CC12CCCC2)N1CC[C@H](F)C1 ZINC000334703252 354496597 /nfs/dbraw/zinc/49/65/97/354496597.db2.gz QGCUNRXQXJPDBZ-UWVGGRQHSA-N 0 0 226.295 2.073 10 0 BEAERN Clc1cccc2c1CCN2[C@@H]1CCOC1 ZINC000334804114 354560447 /nfs/dbraw/zinc/56/04/47/354560447.db2.gz XYJGYQULBGWRDX-SECBINFHSA-N 0 0 223.703 2.491 10 0 BEAERN C[C@@H]1COCC[C@H]1C(=O)[C@H]1CCCS1 ZINC000301049830 363380924 /nfs/dbraw/zinc/38/09/24/363380924.db2.gz ZRCRGFYBTIXHPO-OPRDCNLKSA-N 0 0 214.330 2.124 10 0 BEAERN CC1(c2nsc(Br)n2)CC1 ZINC000166035390 354870379 /nfs/dbraw/zinc/87/03/79/354870379.db2.gz XYZYZBIWVQSPDN-UHFFFAOYSA-N 0 0 219.107 2.352 10 0 BEAERN O=C(c1cc(Cl)ccn1)N1C[C@H]2CCC[C@@H]21 ZINC000335144370 354851236 /nfs/dbraw/zinc/85/12/36/354851236.db2.gz APSNUXCYEUAXEM-KCJUWKMLSA-N 0 0 236.702 2.360 10 0 BEAERN Cc1cccnc1C(=O)Cc1ccco1 ZINC000130597502 363433475 /nfs/dbraw/zinc/43/34/75/363433475.db2.gz BXJCNECQKYQROZ-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN CCC1CCC(N2C(=O)[C@H](C)N(C)C2=O)CC1 ZINC000335972332 134030236 /nfs/dbraw/zinc/03/02/36/134030236.db2.gz HLYHDAASJKXWII-WHXUTIOJSA-N 0 0 238.331 2.238 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@H]2CCC[C@@H]21 ZINC000335221579 355061981 /nfs/dbraw/zinc/06/19/81/355061981.db2.gz RADBMDJFGUMYOB-OLZOCXBDSA-N 0 0 230.311 2.381 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CCCS1 ZINC000413188485 191362456 /nfs/dbraw/zinc/36/24/56/191362456.db2.gz USXIRBZLJGKYFW-SNVBAGLBSA-N 0 0 237.372 2.329 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@H]1C[C@@H](C)O ZINC000413203157 191362999 /nfs/dbraw/zinc/36/29/99/191362999.db2.gz LXXSSBBQNRHQBM-NEPJUHHUSA-N 0 0 249.358 2.340 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCOC(C)(C)C1 ZINC000413200980 191363374 /nfs/dbraw/zinc/36/33/74/191363374.db2.gz KODFKQVNKXYEIE-NSHDSACASA-N 0 0 249.358 2.391 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCCOCC1 ZINC000413240854 191363490 /nfs/dbraw/zinc/36/34/90/191363490.db2.gz ZZWRYENGOCBAKY-LLVKDONJSA-N 0 0 235.331 2.003 10 0 BEAERN O[C@H](c1ccc2c(c1)COC2)C(F)F ZINC000129622460 355363212 /nfs/dbraw/zinc/36/32/12/355363212.db2.gz PLSQLONZBFEGME-SECBINFHSA-N 0 0 200.184 2.015 10 0 BEAERN Cc1ccc(C[C@@]2(C)CCC(=O)N2)s1 ZINC000134330921 355377680 /nfs/dbraw/zinc/37/76/80/355377680.db2.gz IXVKSAVJYKTCTH-LLVKDONJSA-N 0 0 209.314 2.268 10 0 BEAERN C[C@H]1CN(c2nc(C3CC3)ns2)CCS1 ZINC000335780910 355428095 /nfs/dbraw/zinc/42/80/95/355428095.db2.gz GZFOUTYXJURXHN-ZETCQYMHSA-N 0 0 241.385 2.357 10 0 BEAERN N=C(NC(=O)c1ccoc1)c1ccccc1 ZINC000028713830 181196855 /nfs/dbraw/zinc/19/68/55/181196855.db2.gz DWOPFBGJAQQZLH-UHFFFAOYSA-N 0 0 214.224 2.035 10 0 BEAERN N=C(N)c1nc(Cl)ccc1C(F)(F)F ZINC000071186725 181197436 /nfs/dbraw/zinc/19/74/36/181197436.db2.gz DJBYMZICWOBJGL-UHFFFAOYSA-N 0 0 223.585 2.038 10 0 BEAERN C[NH2+][C@@H]1COc2cc(F)c(Cl)cc21 ZINC000134374197 355591596 /nfs/dbraw/zinc/59/15/96/355591596.db2.gz QDYMHIKNNLXPAB-MRVPVSSYSA-N 0 0 201.628 2.132 10 0 BEAERN Cc1c(Cl)cccc1N1CCNC1=O ZINC000169074301 358497998 /nfs/dbraw/zinc/49/79/98/358497998.db2.gz JADGEWSWWDITNJ-UHFFFAOYSA-N 0 0 210.664 2.178 10 0 BEAERN CCCCCn1c2ccc(N)cc2oc1=O ZINC000041084793 168749772 /nfs/dbraw/zinc/74/97/72/168749772.db2.gz FDWMQCUEFOJMMJ-UHFFFAOYSA-N 0 0 220.272 2.367 10 0 BEAERN C[C@@H]1[C@@H]([NH+](C)C)CC[C@H](C(=O)[O-])C1(C)C ZINC000166571702 355699513 /nfs/dbraw/zinc/69/95/13/355699513.db2.gz NIQUJQAWKUSVCF-BBBLOLIVSA-N 0 0 213.321 2.074 10 0 BEAERN CC1(CCS(=O)(=O)N2CCC23CCC3)CC1 ZINC000336002832 134048022 /nfs/dbraw/zinc/04/80/22/134048022.db2.gz INIBAIAWUHBUPB-UHFFFAOYSA-N 0 0 243.372 2.135 10 0 BEAERN N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 ZINC000016905083 181206348 /nfs/dbraw/zinc/20/63/48/181206348.db2.gz JZUCRIVHXYBDDZ-YHYXMXQVSA-N 0 0 243.291 2.307 10 0 BEAERN CCCc1csc([C@H]2CSCCN2)n1 ZINC000160260929 355763282 /nfs/dbraw/zinc/76/32/82/355763282.db2.gz YGIFTBUFIOBLSU-SECBINFHSA-N 0 0 228.386 2.473 10 0 BEAERN Cn1nc(-c2ccccn2)c2c1CCCC2 ZINC000034076934 355780092 /nfs/dbraw/zinc/78/00/92/355780092.db2.gz GYOIFCJNVJZSHY-UHFFFAOYSA-N 0 0 213.284 2.361 10 0 BEAERN NC(=O)/C=C1\CCc2cc(Cl)ccc21 ZINC000027326426 181213408 /nfs/dbraw/zinc/21/34/08/181213408.db2.gz MANRGQUSUGNRIM-SOFGYWHQSA-N 0 0 207.660 2.155 10 0 BEAERN NC(=S)Nc1c(F)cc(F)cc1Cl ZINC000168428190 355806896 /nfs/dbraw/zinc/80/68/96/355806896.db2.gz HDEWOQJRZLQTFG-UHFFFAOYSA-N 0 0 222.647 2.274 10 0 BEAERN CC(C)Cn1ccnc(N[C@@H]2CCC[C@H]2C)c1=O ZINC000071208142 191838609 /nfs/dbraw/zinc/83/86/09/191838609.db2.gz PPMNDLNLIDBQMP-VXGBXAGGSA-N 0 0 249.358 2.500 10 0 BEAERN NC(=O)/C=C1\CCc2ccc(Cl)cc21 ZINC000027331850 181212729 /nfs/dbraw/zinc/21/27/29/181212729.db2.gz DGPDDMABJVSNCI-VMPITWQZSA-N 0 0 207.660 2.155 10 0 BEAERN Cc1cc(C(=O)C(C)(C)S(C)(=O)=O)cs1 ZINC000168463102 355841232 /nfs/dbraw/zinc/84/12/32/355841232.db2.gz SQDQMBWWMUIVKV-UHFFFAOYSA-N 0 0 246.353 2.062 10 0 BEAERN CCOC(=O)c1csc(C(F)F)n1 ZINC000223405600 355862028 /nfs/dbraw/zinc/86/20/28/355862028.db2.gz LVWBRWIFAUOKQJ-UHFFFAOYSA-N 0 0 207.201 2.257 10 0 BEAERN NC(=O)CC1=Cc2c(ccc3ccc(O)cc23)C1 ZINC000001573390 181218714 /nfs/dbraw/zinc/21/87/14/181218714.db2.gz ZDYLTZBERJPKKA-UHFFFAOYSA-N 0 0 239.274 2.360 10 0 BEAERN CCN1CC[C@H]([NH2+]Cc2cc(C)ccc2OC)C1 ZINC000389249837 355936046 /nfs/dbraw/zinc/93/60/46/355936046.db2.gz MNYVBRAUUMCRBL-AWEZNQCLSA-N 0 0 248.370 2.187 10 0 BEAERN O=Cc1occc(=O)c1OCc1ccccc1 ZINC000113084172 355888338 /nfs/dbraw/zinc/88/83/38/355888338.db2.gz JBIHUDRUDVZFPT-UHFFFAOYSA-N 0 0 230.219 2.031 10 0 BEAERN COc1cc(Br)cc(O)c1OC ZINC000113183290 355889012 /nfs/dbraw/zinc/88/90/12/355889012.db2.gz ISTHNOLNGNEKBU-UHFFFAOYSA-N 0 0 233.061 2.172 10 0 BEAERN CCc1cc(NCCOCC(C)C)nc(C)n1 ZINC000167222449 355979449 /nfs/dbraw/zinc/97/94/49/355979449.db2.gz HINJCUSUQJDYRL-UHFFFAOYSA-N 0 0 237.347 2.432 10 0 BEAERN CC[C@@H](C)NC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000351721842 356071671 /nfs/dbraw/zinc/07/16/71/356071671.db2.gz IICVFJLQOWPFMO-APPZFPTMSA-N 0 0 225.292 2.142 10 0 BEAERN CCN1C(=O)N=C(c2ccccc2)[C@@H]1C ZINC000100044315 356174705 /nfs/dbraw/zinc/17/47/05/356174705.db2.gz SIZFQJIWCVIAHN-VIFPVBQESA-N 0 0 202.257 2.320 10 0 BEAERN NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111788071 181251780 /nfs/dbraw/zinc/25/17/80/181251780.db2.gz XRADAGIINDRIOS-VIFPVBQESA-N 0 0 224.691 2.208 10 0 BEAERN O=C(NCC1CC(F)(F)C1)N1C[C@H]2CCC[C@@H]21 ZINC000336099489 134081377 /nfs/dbraw/zinc/08/13/77/134081377.db2.gz ZJQGMVLUBOOQOO-ZJUUUORDSA-N 0 0 244.285 2.226 10 0 BEAERN NC(=O)Nc1cccc(NC2CCC2)c1 ZINC000044481623 181262389 /nfs/dbraw/zinc/26/23/89/181262389.db2.gz GACVPCLXGPBHBS-UHFFFAOYSA-N 0 0 205.261 2.142 10 0 BEAERN O=C(NC[C@H]1CCCSC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000384095987 356275285 /nfs/dbraw/zinc/27/52/85/356275285.db2.gz DBYWTHQHTHXLGT-WISYIIOYSA-N 0 0 239.384 2.292 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)[C@H]1CC=CCC1 ZINC000037941938 181265829 /nfs/dbraw/zinc/26/58/29/181265829.db2.gz ZOWNLGIGTYYSCC-AAEUAGOBSA-N 0 0 230.311 2.309 10 0 BEAERN NC(=O)[C@@H](Nc1cccc(F)c1)C1CCCC1 ZINC000050272556 181265877 /nfs/dbraw/zinc/26/58/77/181265877.db2.gz QTTSSSULEWRORP-LBPRGKRZSA-N 0 0 236.290 2.282 10 0 BEAERN Nc1ccsc1C(=O)Nc1nccs1 ZINC000040292120 356421474 /nfs/dbraw/zinc/42/14/74/356421474.db2.gz KHQRTBDFEJDOLQ-UHFFFAOYSA-N 0 0 225.298 2.039 10 0 BEAERN O=c1ccc(-c2ccc(Cl)c(F)c2)n[nH]1 ZINC000137962291 356424901 /nfs/dbraw/zinc/42/49/01/356424901.db2.gz FJWBUDBZGFFNEX-UHFFFAOYSA-N 0 0 224.622 2.229 10 0 BEAERN COc1c(F)ccc(OC(F)F)c1OC ZINC000396123258 356455040 /nfs/dbraw/zinc/45/50/40/356455040.db2.gz CSTSMWKIKCYCBY-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN Cc1nc(C)c(CNc2ccon2)s1 ZINC000167797424 356437224 /nfs/dbraw/zinc/43/72/24/356437224.db2.gz GMXGLYHYEHXAII-UHFFFAOYSA-N 0 0 209.274 2.360 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)c1ccsc1 ZINC000037941793 181278927 /nfs/dbraw/zinc/27/89/27/181278927.db2.gz VFLJQRCYBMAPQF-LLVKDONJSA-N 0 0 232.308 2.387 10 0 BEAERN Cc1ccc2nc(C3CC3)c(C=O)n2c1 ZINC000001527928 356465532 /nfs/dbraw/zinc/46/55/32/356465532.db2.gz WOSKYUAFCZJMBV-UHFFFAOYSA-N 0 0 200.241 2.333 10 0 BEAERN CC(C)c1nccnc1N1C[C@H](C)C[C@@H](CO)C1 ZINC000420639755 192253809 /nfs/dbraw/zinc/25/38/09/192253809.db2.gz YCNCYDKXNPBCJG-VXGBXAGGSA-N 0 0 249.358 2.055 10 0 BEAERN COC(=O)c1ncc(-c2cccs2)o1 ZINC000167897533 356469883 /nfs/dbraw/zinc/46/98/83/356469883.db2.gz UHKOSKFLZOCCFM-UHFFFAOYSA-N 0 0 209.226 2.190 10 0 BEAERN NC(=O)[C@H](Nc1cccc(Cl)c1)C1CC1 ZINC000041047400 181278087 /nfs/dbraw/zinc/27/80/87/181278087.db2.gz DKMGSURVWJPPKF-SNVBAGLBSA-N 0 0 224.691 2.016 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1Cl)C1CC1 ZINC000041047398 181278166 /nfs/dbraw/zinc/27/81/66/181278166.db2.gz ALWVEJPKUHRIPI-SNVBAGLBSA-N 0 0 224.691 2.016 10 0 BEAERN CCn1c(C)nnc1N1CCC[C@@H](C)[C@@H]1C ZINC000336186289 134121666 /nfs/dbraw/zinc/12/16/66/134121666.db2.gz CMXTUPIKJOYPKM-ZJUUUORDSA-N 0 0 222.336 2.231 10 0 BEAERN FC1(F)CCC[C@@H]1C[NH+]1CCN(C2CC2)CC1 ZINC000336202011 134130678 /nfs/dbraw/zinc/13/06/78/134130678.db2.gz YWCSUECLYFRTAL-LLVKDONJSA-N 0 0 244.329 2.202 10 0 BEAERN O[C@@H]1CCC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000613538830 363480401 /nfs/dbraw/zinc/48/04/01/363480401.db2.gz ZIOSDPSVLLYSLJ-NXEZZACHSA-N 0 0 248.351 2.434 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000613537948 363478514 /nfs/dbraw/zinc/47/85/14/363478514.db2.gz KWXGDSSSPVWHDT-GHMZBOCLSA-N 0 0 243.310 2.345 10 0 BEAERN NC(=O)c1cc(-c2cncc(O)c2)ccc1Cl ZINC000065339520 181287360 /nfs/dbraw/zinc/28/73/60/181287360.db2.gz YXFHCQWCOCWRID-UHFFFAOYSA-N 0 0 248.669 2.207 10 0 BEAERN OC[C@H]1CC[C@H](c2cccc(F)c2)CO1 ZINC000675058404 538481582 /nfs/dbraw/zinc/48/15/82/538481582.db2.gz DJECXFGIOARMHO-CMPLNLGQSA-N 0 0 210.248 2.081 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H](C2CCC(F)(F)CC2)C1 ZINC000675059273 538484461 /nfs/dbraw/zinc/48/44/61/538484461.db2.gz FTFMWRDHHFCTLQ-NXEZZACHSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@@H]1CCC[C@H]([C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)C1 ZINC000675059812 538485335 /nfs/dbraw/zinc/48/53/35/538485335.db2.gz NHAZACQNFLMRCI-RHYQMDGZSA-N 0 0 225.332 2.266 10 0 BEAERN COC(=O)[C@H](C)c1cc(=O)[nH]c2c(F)cccc12 ZINC000675068688 538497176 /nfs/dbraw/zinc/49/71/76/538497176.db2.gz RQZUAWCXDMGVKS-SSDOTTSWSA-N 0 0 249.241 2.356 10 0 BEAERN C[C@H]1Cc2c[nH+]c(N)c(C(=O)[O-])c2[C@H](C)C1 ZINC000675063809 538490547 /nfs/dbraw/zinc/49/05/47/538490547.db2.gz PDYDWIZPMAYVET-RNFRBKRXSA-N 0 0 220.272 2.048 10 0 BEAERN Cc1cn2c(n1)[C@H](c1ccsc1)NCCC2 ZINC000675069907 538499403 /nfs/dbraw/zinc/49/94/03/538499403.db2.gz ZCFNCYNMTYTHCU-NSHDSACASA-N 0 0 233.340 2.336 10 0 BEAERN COC(=O)c1nc(N[C@@H]2C[C@H]2C)sc1C ZINC000167761779 134153805 /nfs/dbraw/zinc/15/38/05/134153805.db2.gz PSNXKWAARNJIMB-IYSWYEEDSA-N 0 0 226.301 2.058 10 0 BEAERN CCN1CCN(c2cc(C)c(C=O)cc2C)CC1 ZINC000675075307 538508850 /nfs/dbraw/zinc/50/88/50/538508850.db2.gz LJBLPJALVZJIQD-UHFFFAOYSA-N 0 0 246.354 2.258 10 0 BEAERN CCCCC[C@@H]1[NH2+][C@@H](CC(=O)[O-])CS1 ZINC000675078216 538514853 /nfs/dbraw/zinc/51/48/53/538514853.db2.gz CEKSYUHAMKWVJI-DTWKUNHWSA-N 0 0 217.334 2.073 10 0 BEAERN COC(C)(C)C1N=NC(=S)N1c1ccccc1 ZINC000230939351 538516228 /nfs/dbraw/zinc/51/62/28/538516228.db2.gz SXRVPRHIGOXOOC-UHFFFAOYSA-N 0 0 249.339 2.438 10 0 BEAERN O=Cc1ccc(-c2nnc(C3CC3)o2)s1 ZINC000675082555 538523110 /nfs/dbraw/zinc/52/31/10/538523110.db2.gz LAAOYYZPQPNZMK-UHFFFAOYSA-N 0 0 220.253 2.488 10 0 BEAERN COc1ccccc1[C@]12C[C@H](CC1)C2=O ZINC000675081847 538523119 /nfs/dbraw/zinc/52/31/19/538523119.db2.gz XBJRUOAFDAHMGF-TVQRCGJNSA-N 0 0 202.253 2.316 10 0 BEAERN CC(C)c1nnc(-c2cncc(C=O)c2)o1 ZINC000675082546 538522986 /nfs/dbraw/zinc/52/29/86/538522986.db2.gz KDDDQBYFXHMXEX-UHFFFAOYSA-N 0 0 217.228 2.068 10 0 BEAERN O=C(N[C@H]1CCc2ccccc21)N1CCC1 ZINC000054009232 363560642 /nfs/dbraw/zinc/56/06/42/363560642.db2.gz TWJSHJWARREIBA-LBPRGKRZSA-N 0 0 216.284 2.089 10 0 BEAERN CCOC(=O)[C@H]1OC12CCC(C)(C)CC2 ZINC000084324405 538531152 /nfs/dbraw/zinc/53/11/52/538531152.db2.gz YGEHNXIXXOHWBU-SECBINFHSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178543083 535341201 /nfs/dbraw/zinc/34/12/01/535341201.db2.gz NKLLLSVAJKVUEC-AAEUAGOBSA-N 0 0 249.285 2.024 10 0 BEAERN Cn1ncc(N)c1-c1ccc(F)c(Cl)c1 ZINC000084499321 538534564 /nfs/dbraw/zinc/53/45/64/538534564.db2.gz PTZUKEXVLUKTON-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN COC(=O)C[C@H]1CCNc2cc(F)ccc21 ZINC000084782698 538535031 /nfs/dbraw/zinc/53/50/31/538535031.db2.gz PBQPJHGSUJQFOP-MRVPVSSYSA-N 0 0 223.247 2.288 10 0 BEAERN CC(C)(C)N1Cc2cccc(N)c2C1=O ZINC000220044381 538536295 /nfs/dbraw/zinc/53/62/95/538536295.db2.gz ZBLPIDVLKHKFIY-UHFFFAOYSA-N 0 0 204.273 2.023 10 0 BEAERN Cc1cn(C[C@@H](C)CC(F)(F)F)nc1N ZINC000402797359 538549542 /nfs/dbraw/zinc/54/95/42/538549542.db2.gz WDHODYMEWVDVCP-LURJTMIESA-N 0 0 221.226 2.193 10 0 BEAERN C[C@H](Nc1ncnc2nc[nH]c21)c1ccco1 ZINC000035238118 356704368 /nfs/dbraw/zinc/70/43/68/356704368.db2.gz AAYKRAHMIYMBBV-ZETCQYMHSA-N 0 0 229.243 2.119 10 0 BEAERN O=C(CSC1COC1)c1ccc(F)cc1 ZINC000086195526 538552438 /nfs/dbraw/zinc/55/24/38/538552438.db2.gz XGNSXBWIPLUWQT-UHFFFAOYSA-N 0 0 226.272 2.140 10 0 BEAERN CCC[C@@H](C)Cn1cc(N)c(C)cc1=O ZINC000086237589 538553819 /nfs/dbraw/zinc/55/38/19/538553819.db2.gz FJPCCYDPKOAAGU-SECBINFHSA-N 0 0 208.305 2.175 10 0 BEAERN O=Cc1ccc(-c2nnc(C(F)F)o2)cc1 ZINC000675082140 538523524 /nfs/dbraw/zinc/52/35/24/538523524.db2.gz DGCDTWPHSIWVEL-UHFFFAOYSA-N 0 0 224.166 2.487 10 0 BEAERN COc1ccc2c(c1)C[C@@H](C(=O)C(C)C)O2 ZINC000675081884 538523540 /nfs/dbraw/zinc/52/35/40/538523540.db2.gz YDHLXAYFMMFHSM-LBPRGKRZSA-N 0 0 220.268 2.224 10 0 BEAERN COCC(=O)CSc1cccc(F)c1 ZINC000086522139 538557355 /nfs/dbraw/zinc/55/73/55/538557355.db2.gz PYRISAJHXMMSED-UHFFFAOYSA-N 0 0 214.261 2.133 10 0 BEAERN Nc1nn(CCC2CC2)cc1Br ZINC000083926662 538525882 /nfs/dbraw/zinc/52/58/82/538525882.db2.gz PGRNTUYLLQISQA-UHFFFAOYSA-N 0 0 230.109 2.028 10 0 BEAERN CCSCCn1ncc2ccc(N)cc21 ZINC000129111880 538572623 /nfs/dbraw/zinc/57/26/23/538572623.db2.gz VYVPHRAWKRTPBK-UHFFFAOYSA-N 0 0 221.329 2.372 10 0 BEAERN Cc1ccc(Cl)c([C@@H](O)c2cn[nH]c2)c1 ZINC000313383106 538579373 /nfs/dbraw/zinc/57/93/73/538579373.db2.gz KGKRPNBWDWAAES-NSHDSACASA-N 0 0 222.675 2.453 10 0 BEAERN Brc1cnc([C@@H]2CCCOC2)nc1 ZINC000096134334 538613475 /nfs/dbraw/zinc/61/34/75/538613475.db2.gz KHJDOGOWEPQSLN-SSDOTTSWSA-N 0 0 243.104 2.133 10 0 BEAERN CC[C@@H]1CCCC[C@]12O[C@@]2(C)C(=O)OC ZINC000227199825 538616907 /nfs/dbraw/zinc/61/69/07/538616907.db2.gz ZSCWFKBMKAYWGJ-USWWRNFRSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@H](C)COC)CC1 ZINC000117160331 356977515 /nfs/dbraw/zinc/97/75/15/356977515.db2.gz ROPXBXTUZSINRB-VXGBXAGGSA-N 0 0 227.348 2.308 10 0 BEAERN CCC1CCC(NC(=O)NCCF)CC1 ZINC000001716451 356953679 /nfs/dbraw/zinc/95/36/79/356953679.db2.gz ZKPMOBPWOIGMNV-UHFFFAOYSA-N 0 0 216.300 2.224 10 0 BEAERN CCCNc1cc(Br)nc(C)n1 ZINC000160517090 357029605 /nfs/dbraw/zinc/02/96/05/357029605.db2.gz XDAFXPQAQFSEQA-UHFFFAOYSA-N 0 0 230.109 2.369 10 0 BEAERN O[C@@]1(c2cccc(Br)c2)CCOC1 ZINC000257948302 538769910 /nfs/dbraw/zinc/76/99/10/538769910.db2.gz CUEDNYRETAOGER-JTQLQIEISA-N 0 0 243.100 2.057 10 0 BEAERN CCCN(C)c1cc(Br)ncn1 ZINC000160555044 357060794 /nfs/dbraw/zinc/06/07/94/357060794.db2.gz ZABKIJWLEBBTMR-UHFFFAOYSA-N 0 0 230.109 2.085 10 0 BEAERN C[C@@H]1CCCN1c1cc(Br)ncn1 ZINC000160598629 357112932 /nfs/dbraw/zinc/11/29/32/357112932.db2.gz MQQCRMUPHDYFPB-SSDOTTSWSA-N 0 0 242.120 2.228 10 0 BEAERN Cn1ccnc1Sc1ccc(C=O)s1 ZINC000160622695 357139285 /nfs/dbraw/zinc/13/92/85/357139285.db2.gz DEQDRUMFVDCNFR-UHFFFAOYSA-N 0 0 224.310 2.445 10 0 BEAERN CC1(C)C[C@H]1Nc1cc(Br)ncn1 ZINC000160658284 357159654 /nfs/dbraw/zinc/15/96/54/357159654.db2.gz PVODHZZABIVZEK-ZCFIWIBFSA-N 0 0 242.120 2.450 10 0 BEAERN CCc1[nH]nc2nc(Cl)nc(Cl)c12 ZINC000089222576 357160354 /nfs/dbraw/zinc/16/03/54/357160354.db2.gz TZGPDZJRRVHFLD-UHFFFAOYSA-N 0 0 217.059 2.222 10 0 BEAERN Brc1ccc([C@H]2NCCS2)nc1 ZINC000130050584 357163442 /nfs/dbraw/zinc/16/34/42/357163442.db2.gz YNXRBQUZQUXJEK-QMMMGPOBSA-N 0 0 245.145 2.179 10 0 BEAERN CCc1nc(CNC(=O)[C@H]2CC2(C)C)cs1 ZINC000122379532 357173884 /nfs/dbraw/zinc/17/38/84/357173884.db2.gz DSOBQAHZSYLDNE-SECBINFHSA-N 0 0 238.356 2.368 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cc(Br)ncn1 ZINC000160673031 357168138 /nfs/dbraw/zinc/16/81/38/357168138.db2.gz JFODTNFBYIAZBC-RITPCOANSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000211511368 357182470 /nfs/dbraw/zinc/18/24/70/357182470.db2.gz XJZKNRYQYDOWLZ-YPMHNXCESA-N 0 0 233.311 2.229 10 0 BEAERN Cc1cc(C(=O)NCCC2=CCCC2)on1 ZINC000131336537 325137550 /nfs/dbraw/zinc/13/75/50/325137550.db2.gz KPQAJLAGMYAUJP-UHFFFAOYSA-N 0 0 220.272 2.213 10 0 BEAERN C[N@H+](CCC(=O)[O-])C[C@H]1CCCCC1(F)F ZINC000394570246 357360111 /nfs/dbraw/zinc/36/01/11/357360111.db2.gz RJBSYGJDROMYOD-SECBINFHSA-N 0 0 235.274 2.218 10 0 BEAERN O[C@H]1CCOc2cc(Br)c(F)cc21 ZINC000137740941 357388896 /nfs/dbraw/zinc/38/88/96/357388896.db2.gz NWWUZSIJFDHFJG-QMMMGPOBSA-N 0 0 247.063 2.404 10 0 BEAERN NC(=O)c1cc(Nc2cccc(F)c2)ccc1N ZINC000041081439 181291237 /nfs/dbraw/zinc/29/12/37/181291237.db2.gz SVMPOBFQZCFAFB-UHFFFAOYSA-N 0 0 245.257 2.250 10 0 BEAERN Cc1nc(Cn2nc(N)c3ccccc32)cs1 ZINC000089254214 357519264 /nfs/dbraw/zinc/51/92/64/357519264.db2.gz QLUSFUGFBSGPBS-UHFFFAOYSA-N 0 0 244.323 2.432 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@](C)(O)CC1 ZINC000230369780 357529548 /nfs/dbraw/zinc/52/95/48/357529548.db2.gz FNJCPICNNROQQO-MBNYWOFBSA-N 0 0 239.359 2.186 10 0 BEAERN CCN(CC(C)C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000188299963 357538664 /nfs/dbraw/zinc/53/86/64/357538664.db2.gz GGQYJMRGPQTPAP-NEPJUHHUSA-N 0 0 227.348 2.306 10 0 BEAERN Cc1cnn(CCNc2nccc3occc32)c1 ZINC000230904029 357578764 /nfs/dbraw/zinc/57/87/64/357578764.db2.gz IXMUBVQISBJLCH-UHFFFAOYSA-N 0 0 242.282 2.445 10 0 BEAERN CCC(C)(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000158820393 538868110 /nfs/dbraw/zinc/86/81/10/538868110.db2.gz BIPWDFGHWKJPBF-QWRGUYRKSA-N 0 0 227.348 2.496 10 0 BEAERN CCC1(CNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000188983822 357598333 /nfs/dbraw/zinc/59/83/33/357598333.db2.gz IBZMJOQQPSWBAZ-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC1(C)C ZINC000188988034 357598727 /nfs/dbraw/zinc/59/87/27/357598727.db2.gz QVJIXBIVPORGGK-QJPTWQEYSA-N 0 0 239.359 2.496 10 0 BEAERN Fc1ccc(CN[C@@H]2COc3ccccc32)cn1 ZINC000189060158 357601695 /nfs/dbraw/zinc/60/16/95/357601695.db2.gz RBAILQQZGULJGE-GFCCVEGCSA-N 0 0 244.269 2.444 10 0 BEAERN Cc1cnc([C@H](C)N[C@H]2CCSC2)o1 ZINC000231532201 357609046 /nfs/dbraw/zinc/60/90/46/357609046.db2.gz IXUJHOPYYVCWAF-IUCAKERBSA-N 0 0 212.318 2.139 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000189212428 357610375 /nfs/dbraw/zinc/61/03/75/357610375.db2.gz BFODGCNTRUCPGB-IJLUTSLNSA-N 0 0 225.332 2.060 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C(F)(F)F ZINC000685945679 538886758 /nfs/dbraw/zinc/88/67/58/538886758.db2.gz ASWATKRNDNOHEP-SFYZADRCSA-N 0 0 238.205 2.097 10 0 BEAERN CC(C)CC1N=NC(=S)N1CC(F)F ZINC000685950151 538893536 /nfs/dbraw/zinc/89/35/36/538893536.db2.gz PBCOQFXHJHTZDQ-UHFFFAOYSA-N 0 0 221.276 2.030 10 0 BEAERN CC[C@H](C)CC1N=NC(=S)N1CC(F)F ZINC000685950232 538893602 /nfs/dbraw/zinc/89/36/02/538893602.db2.gz SPELYQMJOPZTDP-LURJTMIESA-N 0 0 235.303 2.421 10 0 BEAERN C[C@H](COCc1ccccc1)Cn1cc(N)cn1 ZINC000685951038 538894765 /nfs/dbraw/zinc/89/47/65/538894765.db2.gz CLCHRGRSXMHXIH-LBPRGKRZSA-N 0 0 245.326 2.318 10 0 BEAERN COC(=O)[C@@H]1Cc2cc(Cl)c(C)cc2O1 ZINC000685951678 538895081 /nfs/dbraw/zinc/89/50/81/538895081.db2.gz FIHWBIALIJUHQR-JTQLQIEISA-N 0 0 226.659 2.125 10 0 BEAERN COC(=O)c1coc2cc(OC)c(F)cc12 ZINC000685951656 538895522 /nfs/dbraw/zinc/89/55/22/538895522.db2.gz FBLJCBGXQSVXIR-UHFFFAOYSA-N 0 0 224.187 2.367 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000190491610 357709598 /nfs/dbraw/zinc/70/95/98/357709598.db2.gz PYHDQMBJSZOOLQ-JHJVBQTASA-N 0 0 239.359 2.450 10 0 BEAERN CC(C)N(C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000190656063 357720984 /nfs/dbraw/zinc/72/09/84/357720984.db2.gz HDRHDZIDANCRLW-NWDGAFQWSA-N 0 0 240.347 2.090 10 0 BEAERN CC[C@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000190744851 357729940 /nfs/dbraw/zinc/72/99/40/357729940.db2.gz GTXXLDBACUFWAA-LBPRGKRZSA-N 0 0 238.375 2.119 10 0 BEAERN C/C=C(\CC)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000190734498 357730150 /nfs/dbraw/zinc/73/01/50/357730150.db2.gz HJIGYHOHUCTQKX-NHMTZTLUSA-N 0 0 245.322 2.117 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190798265 357731944 /nfs/dbraw/zinc/73/19/44/357731944.db2.gz RWRGIOAJTJPOKK-ZJUUUORDSA-N 0 0 249.301 2.305 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000191689398 357799233 /nfs/dbraw/zinc/79/92/33/357799233.db2.gz QLZSUYBWFMMDPL-CABZTGNLSA-N 0 0 237.343 2.106 10 0 BEAERN CCN(CC1CC1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191629202 357779749 /nfs/dbraw/zinc/77/97/49/357779749.db2.gz JZPGSMLEVIZEPV-CMPLNLGQSA-N 0 0 225.332 2.060 10 0 BEAERN Cc1cccc(CNC(=O)N2CCCC2(C)C)n1 ZINC000102959234 357953617 /nfs/dbraw/zinc/95/36/17/357953617.db2.gz XUIQGPMPGRPPLU-UHFFFAOYSA-N 0 0 247.342 2.474 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(C)c1 ZINC000075528033 325299262 /nfs/dbraw/zinc/29/92/62/325299262.db2.gz BVLKIVIVNVBQGC-CMPLNLGQSA-N 0 0 203.285 2.442 10 0 BEAERN NC(=O)c1ccc(C2CCC(=O)CC2)cc1 ZINC000021989410 181294500 /nfs/dbraw/zinc/29/45/00/181294500.db2.gz QWCRAYDIXLUPOT-UHFFFAOYSA-N 0 0 217.268 2.012 10 0 BEAERN CC(=O)Nc1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000037691191 358092095 /nfs/dbraw/zinc/09/20/95/358092095.db2.gz CMISNZDQGGXTCB-ZIAGYGMSSA-N 0 0 248.326 2.360 10 0 BEAERN CC(C)[C@@](C)(O)C(=O)Cc1cccs1 ZINC000584632545 358117429 /nfs/dbraw/zinc/11/74/29/358117429.db2.gz JLYPKKOLJRZWFN-LLVKDONJSA-N 0 0 212.314 2.267 10 0 BEAERN COCCNc1cc(F)cnc1Br ZINC000584633304 358118116 /nfs/dbraw/zinc/11/81/16/358118116.db2.gz AQDZVKMEPBKPLB-UHFFFAOYSA-N 0 0 249.083 2.042 10 0 BEAERN CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)C(C)C ZINC000171579765 134259315 /nfs/dbraw/zinc/25/93/15/134259315.db2.gz URNRKXNJVJTLTG-VXGBXAGGSA-N 0 0 242.363 2.241 10 0 BEAERN CCc1nnc(CSCC(C)C)n1C ZINC000171785791 134260787 /nfs/dbraw/zinc/26/07/87/134260787.db2.gz HYLKTDJHXBVYPN-UHFFFAOYSA-N 0 0 213.350 2.267 10 0 BEAERN N[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000038888537 358207120 /nfs/dbraw/zinc/20/71/20/358207120.db2.gz VNBZYMVEHPBBJM-AWEZNQCLSA-N 0 0 241.290 2.430 10 0 BEAERN C[C@H](NC(=O)N1CCCO[C@H](C)C1)C(C)(C)C ZINC000171951199 134262891 /nfs/dbraw/zinc/26/28/91/134262891.db2.gz UNSNKAHEVSOCKW-MNOVXSKESA-N 0 0 242.363 2.241 10 0 BEAERN O=C1CCCC2(N1)C1CC3CC(C1)CC2C3 ZINC000039040178 358217146 /nfs/dbraw/zinc/21/71/46/358217146.db2.gz MGBWJRZTNRFCQO-UHFFFAOYSA-N 0 0 219.328 2.481 10 0 BEAERN c1ccc2c(c1)OCC[C@@H]2Nc1cccnn1 ZINC000052831403 358233402 /nfs/dbraw/zinc/23/34/02/358233402.db2.gz RNPDAEXXAXAVIY-NSHDSACASA-N 0 0 227.267 2.412 10 0 BEAERN C[C@@H]1OC(=O)C[C@H]1Sc1ccccc1 ZINC000040442792 358236207 /nfs/dbraw/zinc/23/62/07/358236207.db2.gz CRFRWRWBBAVMGO-WCBMZHEXSA-N 0 0 208.282 2.483 10 0 BEAERN NC(=O)[C@@H]1Cc2ccccc2-c2ccccc21 ZINC000584590791 358248985 /nfs/dbraw/zinc/24/89/85/358248985.db2.gz UTZQPGYJSSGPNJ-CQSZACIVSA-N 0 0 223.275 2.479 10 0 BEAERN COCCn1cncc1-c1ccccc1 ZINC000584613432 358277436 /nfs/dbraw/zinc/27/74/36/358277436.db2.gz FBECSDQRKKSNHA-UHFFFAOYSA-N 0 0 202.257 2.197 10 0 BEAERN CC(=O)c1ccc(CCC2OCCO2)s1 ZINC000584613402 358277758 /nfs/dbraw/zinc/27/77/58/358277758.db2.gz IKVXACCVXCGRJX-UHFFFAOYSA-N 0 0 226.297 2.256 10 0 BEAERN Nc1cccc(-c2cccnc2C2OCCO2)c1 ZINC000584592339 358250260 /nfs/dbraw/zinc/25/02/60/358250260.db2.gz ABMWGOSOWCMCSJ-UHFFFAOYSA-N 0 0 242.278 2.376 10 0 BEAERN CC[C@H](Cc1ccc(OC)cc1)N1CC1 ZINC000584591756 358250600 /nfs/dbraw/zinc/25/06/00/358250600.db2.gz IKZAHSJCNIWPQP-GFCCVEGCSA-N 0 0 205.301 2.332 10 0 BEAERN NC(=O)c1cnc2c(ccc3c2CCCC3)c1 ZINC000584597339 358254472 /nfs/dbraw/zinc/25/44/72/358254472.db2.gz BKRBWRAPNUWYNA-UHFFFAOYSA-N 0 0 226.279 2.213 10 0 BEAERN CCOC(=O)[C@@H]1[C@H](C)CC(=O)[C@H](CC)[C@@H]1C ZINC000584600660 358257032 /nfs/dbraw/zinc/25/70/32/358257032.db2.gz SSSQHXJPGVBRGK-DTHBNOIPSA-N 0 0 226.316 2.437 10 0 BEAERN CO[C@H]1C=C(I)CC1 ZINC000584602969 358261147 /nfs/dbraw/zinc/26/11/47/358261147.db2.gz IUXMBNLPCSXNAB-ZCFIWIBFSA-N 0 0 224.041 2.114 10 0 BEAERN CCO[P@@](N)(=O)c1c(C)cc(OC)cc1C ZINC000584603325 358261763 /nfs/dbraw/zinc/26/17/63/358261763.db2.gz XDIMQKVDUARGLW-INIZCTEOSA-N 0 0 243.243 2.126 10 0 BEAERN CNC(=O)C1(c2ccc(Cl)nc2)CCCC1 ZINC000584603456 358261887 /nfs/dbraw/zinc/26/18/87/358261887.db2.gz XJLQILBCQXDMKH-UHFFFAOYSA-N 0 0 238.718 2.293 10 0 BEAERN CC(=O)C1(c2ccccc2)CCN(N=O)CC1 ZINC000584603361 358262016 /nfs/dbraw/zinc/26/20/16/358262016.db2.gz YZSZWZIBAYKHCR-UHFFFAOYSA-N 0 0 232.283 2.291 10 0 BEAERN COc1ccc2c(c1)[C@@H](CCNC=O)CCC2 ZINC000584604310 358263231 /nfs/dbraw/zinc/26/32/31/358263231.db2.gz YCFXJRGQUHKBBW-GFCCVEGCSA-N 0 0 233.311 2.251 10 0 BEAERN COc1cc2c(cc1OC)C[C@@H](C1CC1)N=C2 ZINC000584606407 358265964 /nfs/dbraw/zinc/26/59/64/358265964.db2.gz NLUFHWDDSZWSSA-LBPRGKRZSA-N 0 0 231.295 2.457 10 0 BEAERN CN1C[C@](C)(CO)c2cc(Cl)ccc21 ZINC000584609166 358269924 /nfs/dbraw/zinc/26/99/24/358269924.db2.gz CRTKIGJVWVBYME-LLVKDONJSA-N 0 0 211.692 2.040 10 0 BEAERN CC(=O)O/C(Cl)=C\OCc1ccccn1 ZINC000584609377 358270388 /nfs/dbraw/zinc/27/03/88/358270388.db2.gz KZFXXHUTTBJSOY-YFHOEESVSA-N 0 0 227.647 2.199 10 0 BEAERN CNc1cc(C)ccc1/C=C/C(=O)OC ZINC000584610050 358272467 /nfs/dbraw/zinc/27/24/67/358272467.db2.gz DVPVZTZZNDPANP-VOTSOKGWSA-N 0 0 205.257 2.223 10 0 BEAERN CC(=O)N(C)C/C=C/c1ccc(F)cc1 ZINC000584610241 358273239 /nfs/dbraw/zinc/27/32/39/358273239.db2.gz QSPFVDFRJVTGDC-ONEGZZNKSA-N 0 0 207.248 2.317 10 0 BEAERN Cc1ccc([S@](=O)c2occc2CO)cc1 ZINC000584610723 358273779 /nfs/dbraw/zinc/27/37/79/358273779.db2.gz VMZUVQWUCWGBRW-INIZCTEOSA-N 0 0 236.292 2.247 10 0 BEAERN CCOC(=O)[C@@H](C)c1ccc2c(c1)C(=O)CC2 ZINC000584618900 358285394 /nfs/dbraw/zinc/28/53/94/358285394.db2.gz YDKZOWGNDKYEQK-VIFPVBQESA-N 0 0 232.279 2.482 10 0 BEAERN COc1cc2c(ccc(=O)n2C)cc1Cl ZINC000584621411 358288571 /nfs/dbraw/zinc/28/85/71/358288571.db2.gz LTMUSXFYMBDEQA-UHFFFAOYSA-N 0 0 223.659 2.201 10 0 BEAERN CCC(=O)N1CC[C@@](O)(c2ccccc2)[C@H](C)C1 ZINC000584621220 358288602 /nfs/dbraw/zinc/28/86/02/358288602.db2.gz VAJQTQOAMNCXHF-DOMZBBRYSA-N 0 0 247.338 2.153 10 0 BEAERN O=C(c1ccco1)c1nc2ccccc2c(=O)[nH]1 ZINC000584622373 358290065 /nfs/dbraw/zinc/29/00/65/358290065.db2.gz PJDOHJVATSPWSA-UHFFFAOYSA-N 0 0 240.218 2.159 10 0 BEAERN CCc1cc(C(=O)N2CCCC2)c(=O)[nH]c1CC ZINC000584622089 358290190 /nfs/dbraw/zinc/29/01/90/358290190.db2.gz QDRCVIXOOPGIRR-UHFFFAOYSA-N 0 0 248.326 2.148 10 0 BEAERN CCOC(=O)/C=C/C=C/CCCn1ccnc1 ZINC000584623899 358291882 /nfs/dbraw/zinc/29/18/82/358291882.db2.gz CUEIDFDVILUTIW-PBOULFJWSA-N 0 0 234.299 2.339 10 0 BEAERN CN(C)C(=O)Oc1cc(C(F)(F)F)ccc1O ZINC000584625181 358293705 /nfs/dbraw/zinc/29/37/05/358293705.db2.gz KZGKYZIJGQUTOX-UHFFFAOYSA-N 0 0 249.188 2.471 10 0 BEAERN C=CS(=O)(=O)Oc1ccccc1CC ZINC000584625208 358293913 /nfs/dbraw/zinc/29/39/13/358293913.db2.gz IOMFXWOPYUJTRF-UHFFFAOYSA-N 0 0 212.270 2.101 10 0 BEAERN CC(C)(C)OC(=O)C=C(O)CC1CCOCC1 ZINC000584625830 358294971 /nfs/dbraw/zinc/29/49/71/358294971.db2.gz VHOVTXZATGBERQ-UHFFFAOYSA-N 0 0 242.315 2.104 10 0 BEAERN O=c1nc(-c2ccccc2)oc2ccncc12 ZINC000584627566 358297357 /nfs/dbraw/zinc/29/73/57/358297357.db2.gz XICPUDLTMDAVFH-UHFFFAOYSA-N 0 0 224.219 2.250 10 0 BEAERN CC[C@@H](Nc1ccc(OC)cc1)C(C)=O ZINC000584629671 358298944 /nfs/dbraw/zinc/29/89/44/358298944.db2.gz NZOLNSQACPFPTJ-GFCCVEGCSA-N 0 0 207.273 2.475 10 0 BEAERN O=C1CC[C@H]([C@@H]2CCc3ccccc3C2)N1 ZINC000584630288 358299801 /nfs/dbraw/zinc/29/98/01/358299801.db2.gz XENQLKWKCQKOLP-CHWSQXEVSA-N 0 0 215.296 2.070 10 0 BEAERN CC(=O)C(F)(F)[C@@H](O)c1ccc(C)cc1 ZINC000584630714 358300781 /nfs/dbraw/zinc/30/07/81/358300781.db2.gz QBUNBQTZPGDQNL-JTQLQIEISA-N 0 0 214.211 2.253 10 0 BEAERN Nc1cnc2nc(-c3cccnc3)sc2c1 ZINC000584648109 358302758 /nfs/dbraw/zinc/30/27/58/358302758.db2.gz AQUFUGDSLQZFAI-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN NNc1ccc(Oc2cccc(F)c2F)nc1 ZINC000584649623 358304051 /nfs/dbraw/zinc/30/40/51/358304051.db2.gz DTLGEZHPWAHAJA-UHFFFAOYSA-N 0 0 237.209 2.438 10 0 BEAERN NNc1ccc(Oc2ccccc2F)nc1 ZINC000584649826 358304610 /nfs/dbraw/zinc/30/46/10/358304610.db2.gz NYBRUIAVUGPGJH-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN CN1C(=O)C[C@]2(CC[C@H]3CCCC[C@@H]3C2)C1=O ZINC000584652237 358307108 /nfs/dbraw/zinc/30/71/08/358307108.db2.gz BDPFPWDAJLJNSE-JTNHKYCSSA-N 0 0 235.327 2.352 10 0 BEAERN CC(C)N1C(=O)c2ccccc2O[C@H]1C ZINC000584631922 358314173 /nfs/dbraw/zinc/31/41/73/358314173.db2.gz CJFZEZYGUVJRGO-VIFPVBQESA-N 0 0 205.257 2.276 10 0 BEAERN COc1ccc([C@@H]2CC2(OC)OC)cc1 ZINC000584657028 358308657 /nfs/dbraw/zinc/30/86/57/358308657.db2.gz USTWENOJZYAENZ-NSHDSACASA-N 0 0 208.257 2.172 10 0 BEAERN CCC[C@H](OC(C)=O)[C@H](CCC)OC(C)=O ZINC000584657378 358309335 /nfs/dbraw/zinc/30/93/35/358309335.db2.gz MEYQKLYTJNUOKX-RYUDHWBXSA-N 0 0 230.304 2.450 10 0 BEAERN O=C1CC[C@]2(CCC[C@H]2O)N1Cc1ccccc1 ZINC000584616606 358281563 /nfs/dbraw/zinc/28/15/63/358281563.db2.gz IYJNBFHLPHVSPZ-HIFRSBDPSA-N 0 0 245.322 2.093 10 0 BEAERN CCOC(=O)[C@@H](C)Oc1c(C)cc(N)cc1C ZINC000584643694 358328607 /nfs/dbraw/zinc/32/86/07/358328607.db2.gz VLNSEPZWOAKFTF-SNVBAGLBSA-N 0 0 237.299 2.216 10 0 BEAERN Fc1nc2nc[nH]c2c(NCC2CCCCC2)n1 ZINC000584644095 358329481 /nfs/dbraw/zinc/32/94/81/358329481.db2.gz OKAWWKWJSSFQGW-UHFFFAOYSA-N 0 0 249.293 2.436 10 0 BEAERN CC1(C)CN(C(=O)C2CC2)Cc2cc(N)ccc21 ZINC000584644638 358329820 /nfs/dbraw/zinc/32/98/20/358329820.db2.gz NEBIJOHDGPDIPK-UHFFFAOYSA-N 0 0 244.338 2.299 10 0 BEAERN Cc1cn2cc(N)cc(C(F)(F)F)c2n1 ZINC000584646753 358331842 /nfs/dbraw/zinc/33/18/42/358331842.db2.gz ZNERMPTVJPQJBQ-UHFFFAOYSA-N 0 0 215.178 2.244 10 0 BEAERN CCO[C@@H](C)CC(=O)Nc1ccccc1 ZINC000584632161 358314732 /nfs/dbraw/zinc/31/47/32/358314732.db2.gz LHEMRDGTQJLNMA-JTQLQIEISA-N 0 0 207.273 2.440 10 0 BEAERN COc1cccc(C2=CC[C@H](CO)C2)c1 ZINC000584632047 358314814 /nfs/dbraw/zinc/31/48/14/358314814.db2.gz GEOZFUSRPUOHMG-JTQLQIEISA-N 0 0 204.269 2.481 10 0 BEAERN CCCc1[nH]c(=O)c(C(=O)NC2CC2)cc1CC ZINC000584633753 358317714 /nfs/dbraw/zinc/31/77/14/358317714.db2.gz BHBOGZLVWNESKA-UHFFFAOYSA-N 0 0 248.326 2.194 10 0 BEAERN C/C=C/CNC(=O)c1cc(CCC)c(C)[nH]c1=O ZINC000584634132 358318287 /nfs/dbraw/zinc/31/82/87/358318287.db2.gz ZSYFSSZJPNVHKF-GQCTYLIASA-N 0 0 248.326 2.354 10 0 BEAERN CN1C(=N)[C@@](C)(c2cccc(F)c2)N(C)C1=O ZINC000584634217 358318414 /nfs/dbraw/zinc/31/84/14/358318414.db2.gz DILBHIMWNBVYSZ-GFCCVEGCSA-N 0 0 235.262 2.015 10 0 BEAERN COc1ccc2[nH]ccc(=O)c2c1Cl ZINC000584635183 358319589 /nfs/dbraw/zinc/31/95/89/358319589.db2.gz YSGLNTBMXQUAQE-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN CC[C@H]1C[C@@H](O)Oc2c(C)c(O)ccc21 ZINC000584635933 358320086 /nfs/dbraw/zinc/32/00/86/358320086.db2.gz SRPILDQXFCZKRH-KWQFWETISA-N 0 0 208.257 2.295 10 0 BEAERN O=c1ccoc(C2(C(F)(F)F)CC2)c1 ZINC000584636357 358320943 /nfs/dbraw/zinc/32/09/43/358320943.db2.gz KQHNFNWZJAJJET-UHFFFAOYSA-N 0 0 204.147 2.234 10 0 BEAERN Cc1cccc(C)c1-c1nc(CC(N)=O)cs1 ZINC000584637059 358322219 /nfs/dbraw/zinc/32/22/19/358322219.db2.gz OUDRRNXVHQBYLH-UHFFFAOYSA-N 0 0 246.335 2.455 10 0 BEAERN CC(=O)OCCCc1cnc(Cl)nc1Cl ZINC000584637087 358322378 /nfs/dbraw/zinc/32/23/78/358322378.db2.gz BGMZRVCHTLGWIS-UHFFFAOYSA-N 0 0 249.097 2.279 10 0 BEAERN OCc1nccc2c1C[C@H](CC1CC1)C2 ZINC000584638064 358323572 /nfs/dbraw/zinc/32/35/72/358323572.db2.gz LLIPNYSBFMRCCO-SNVBAGLBSA-N 0 0 203.285 2.089 10 0 BEAERN CC[C@]1(O)OC(=O)c2ccc(Cl)cc21 ZINC000584638408 358323794 /nfs/dbraw/zinc/32/37/94/358323794.db2.gz ZJVPPVFPDLBHTC-JTQLQIEISA-N 0 0 212.632 2.066 10 0 BEAERN CCN(CC)n1nc2ccc(Cl)cc2n1 ZINC000584638327 358324047 /nfs/dbraw/zinc/32/40/47/358324047.db2.gz OBPOICPGNYAUFP-UHFFFAOYSA-N 0 0 224.695 2.063 10 0 BEAERN CC(C)=CCn1cnc2ncnc(Cl)c21 ZINC000584639692 358325751 /nfs/dbraw/zinc/32/57/51/358325751.db2.gz SBIHLKJMCZBGSB-UHFFFAOYSA-N 0 0 222.679 2.446 10 0 BEAERN C=Cc1c(C[NH3+])onc1OCc1ccccc1 ZINC000584641196 358327136 /nfs/dbraw/zinc/32/71/36/358327136.db2.gz QCLRFUAWCLNXAO-UHFFFAOYSA-N 0 0 230.267 2.355 10 0 BEAERN O=C([O-])[C@@H]1CC2(CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000584643033 358327920 /nfs/dbraw/zinc/32/79/20/358327920.db2.gz FXDXIKJJOMGLTP-TUAOUCFPSA-N 0 0 237.343 2.267 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)Cc1ccccc1N ZINC000228508224 358377114 /nfs/dbraw/zinc/37/71/14/358377114.db2.gz BEXFONIDTKINKV-YPMHNXCESA-N 0 0 232.327 2.116 10 0 BEAERN CCOC(OCC)C(=O)c1cccs1 ZINC000043504266 358377422 /nfs/dbraw/zinc/37/74/22/358377422.db2.gz XSAVNDNYEYISRV-UHFFFAOYSA-N 0 0 214.286 2.330 10 0 BEAERN c1ccc2nc(C3OCCO3)ccc2c1 ZINC000044228207 358404340 /nfs/dbraw/zinc/40/43/40/358404340.db2.gz OUENQTLZIRDXRS-UHFFFAOYSA-N 0 0 201.225 2.280 10 0 BEAERN COC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000042307553 358520506 /nfs/dbraw/zinc/52/05/06/358520506.db2.gz HXQWGGDBTSBVOT-GHMZBOCLSA-N 0 0 221.300 2.207 10 0 BEAERN CC[C@H](Nc1ccnc(C(=O)OC)n1)C(C)C ZINC000090737605 363612680 /nfs/dbraw/zinc/61/26/80/363612680.db2.gz QBGMZZCEAXCHKJ-VIFPVBQESA-N 0 0 237.303 2.110 10 0 BEAERN CC[C@H]1CCCN(C(=O)Nc2nncs2)C1 ZINC000043127704 358535537 /nfs/dbraw/zinc/53/55/37/358535537.db2.gz YAXXZEXTTCRWRC-QMMMGPOBSA-N 0 0 240.332 2.192 10 0 BEAERN O[C@@H]1CCCC[C@H]1n1ccnc1-c1cccnc1 ZINC000212706230 358620244 /nfs/dbraw/zinc/62/02/44/358620244.db2.gz UYNWCLHQHVODTM-CHWSQXEVSA-N 0 0 243.310 2.421 10 0 BEAERN CC[C@H](c1cccs1)N1CCNC1=O ZINC000169087373 358633594 /nfs/dbraw/zinc/63/35/94/358633594.db2.gz KDBNCFXXARVELU-MRVPVSSYSA-N 0 0 210.302 2.224 10 0 BEAERN C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000129664705 358592227 /nfs/dbraw/zinc/59/22/27/358592227.db2.gz GCWNIJCJDYMBAJ-JFGNBEQYSA-N 0 0 237.299 2.367 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000130858815 358649979 /nfs/dbraw/zinc/64/99/79/358649979.db2.gz LSTVLHOYHJFQFZ-SRVKXCTJSA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)CCC(=O)N[C@H]1CCCCC[C@H]1O ZINC000130883481 358650754 /nfs/dbraw/zinc/65/07/54/358650754.db2.gz ABFNMXUVFVPASR-NWDGAFQWSA-N 0 0 227.348 2.232 10 0 BEAERN CCc1cc(C)c(C(=O)NCc2cccnc2)o1 ZINC000131297216 358667957 /nfs/dbraw/zinc/66/79/57/358667957.db2.gz PRWQRQIXMLGJCN-UHFFFAOYSA-N 0 0 244.294 2.475 10 0 BEAERN CCc1cc(C)c(C(=O)NCc2ccncc2)o1 ZINC000131294848 358668297 /nfs/dbraw/zinc/66/82/97/358668297.db2.gz NGPNUBVTMYQLGQ-UHFFFAOYSA-N 0 0 244.294 2.475 10 0 BEAERN C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCO1 ZINC000175522713 134287506 /nfs/dbraw/zinc/28/75/06/134287506.db2.gz VHMYQHOAHTZMIV-JQWIXIFHSA-N 0 0 225.332 2.250 10 0 BEAERN O=C1c2ccccc2N[C@H](C2CC2)N1C1CC1 ZINC000049283146 358679832 /nfs/dbraw/zinc/67/98/32/358679832.db2.gz VNAQUIZRWBOEQR-ZDUSSCGKSA-N 0 0 228.295 2.453 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000049371966 358685291 /nfs/dbraw/zinc/68/52/91/358685291.db2.gz LRJNGQFQIQHYRL-YUMQZZPRSA-N 0 0 242.344 2.054 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000049371971 358685439 /nfs/dbraw/zinc/68/54/39/358685439.db2.gz LRJNGQFQIQHYRL-SFYZADRCSA-N 0 0 242.344 2.054 10 0 BEAERN O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1ccco1 ZINC000049397992 358686063 /nfs/dbraw/zinc/68/60/63/358686063.db2.gz KDEQMDHCDVDCAB-RYUDHWBXSA-N 0 0 242.278 2.095 10 0 BEAERN O=C(CCC1CCCC1)N[C@H]1CCCC[C@H]1O ZINC000052000779 358771680 /nfs/dbraw/zinc/77/16/80/358771680.db2.gz KXWNJAXKDMSJJK-QWHCGFSZSA-N 0 0 239.359 2.377 10 0 BEAERN O=C(NCc1cscn1)C1CCCCC1 ZINC000050407958 358729024 /nfs/dbraw/zinc/72/90/24/358729024.db2.gz QMIOORJOFFZPSG-UHFFFAOYSA-N 0 0 224.329 2.340 10 0 BEAERN COc1cccc(C(=O)N2C[C@H](C)C[C@H]2C)c1O ZINC000134989266 358814626 /nfs/dbraw/zinc/81/46/26/358814626.db2.gz JSAVFSWUZRTKMM-NXEZZACHSA-N 0 0 249.310 2.271 10 0 BEAERN O=C(c1ccccc1)N1CCC[C@@H]1CCCO ZINC000052758556 358791737 /nfs/dbraw/zinc/79/17/37/358791737.db2.gz AFCRLEYGBHYWHP-CYBMUJFWSA-N 0 0 233.311 2.064 10 0 BEAERN O=C(c1cccs1)N1CCC[C@@H]1CCCO ZINC000052758617 358792092 /nfs/dbraw/zinc/79/20/92/358792092.db2.gz RTAFRNXUZVQNJI-SNVBAGLBSA-N 0 0 239.340 2.125 10 0 BEAERN CSCCCC(=O)N[C@H](C)c1cccnc1 ZINC000134506119 358793147 /nfs/dbraw/zinc/79/31/47/358793147.db2.gz NWDGUTXFYZBYQV-SNVBAGLBSA-N 0 0 238.356 2.402 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000135510273 358842278 /nfs/dbraw/zinc/84/22/78/358842278.db2.gz BSUOXOBRXWVAOI-VHSXEESVSA-N 0 0 249.358 2.380 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)c1ccoc1 ZINC000058727902 358913667 /nfs/dbraw/zinc/91/36/67/358913667.db2.gz AMMKRQGLEOFYJV-LLVKDONJSA-N 0 0 229.235 2.143 10 0 BEAERN CCCC[C@H](CCC)SC[C@H](O)CO ZINC000177406431 134297623 /nfs/dbraw/zinc/29/76/23/134297623.db2.gz GPWSSTHJSKRZJQ-MNOVXSKESA-N 0 0 220.378 2.432 10 0 BEAERN CCC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061240952 358931784 /nfs/dbraw/zinc/93/17/84/358931784.db2.gz XYOVATWHDCZWPU-MRVPVSSYSA-N 0 0 225.263 2.422 10 0 BEAERN CCOC(=O)CN[C@@H]1CCCc2sccc21 ZINC000061328071 358933060 /nfs/dbraw/zinc/93/30/60/358933060.db2.gz JJFRLKSCSOCCSK-SNVBAGLBSA-N 0 0 239.340 2.278 10 0 BEAERN Fc1ccc(-c2nnc(Cl)s2)nc1 ZINC000130198813 358938899 /nfs/dbraw/zinc/93/88/99/358938899.db2.gz SKNBSUXMRZTRKQ-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN C[C@H](CO)Sc1ccc(N)c(Cl)c1 ZINC000306156058 358947291 /nfs/dbraw/zinc/94/72/91/358947291.db2.gz IRCWOTDUFZZPNJ-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN COc1[nH]cc(Br)c2ccnc1-2 ZINC000306157492 358949481 /nfs/dbraw/zinc/94/94/81/358949481.db2.gz CBHDCOIRRGFMKR-UHFFFAOYSA-N 0 0 227.061 2.286 10 0 BEAERN CC[C@@H](NO)c1ccc(O)c(Cl)c1 ZINC000306158714 358952540 /nfs/dbraw/zinc/95/25/40/358952540.db2.gz PPZCRTMXJCIJDF-MRVPVSSYSA-N 0 0 201.653 2.476 10 0 BEAERN N[C@@H](c1ccc[nH]1)c1ccc(Br)o1 ZINC000306169569 358977988 /nfs/dbraw/zinc/97/79/88/358977988.db2.gz PTVNLQVVMZELNY-VIFPVBQESA-N 0 0 241.088 2.418 10 0 BEAERN CC(C)Sc1cc(Br)nc(N)n1 ZINC000306159644 358955000 /nfs/dbraw/zinc/95/50/00/358955000.db2.gz DOPPFAJHNQTADD-UHFFFAOYSA-N 0 0 248.149 2.322 10 0 BEAERN CONC(=O)c1c(C)csc1Cl ZINC000306196385 359025563 /nfs/dbraw/zinc/02/55/63/359025563.db2.gz QCPCCUGPJRFSGF-UHFFFAOYSA-N 0 0 205.666 2.001 10 0 BEAERN Nc1cc(OCC(F)F)c(F)cc1F ZINC000306200057 359027385 /nfs/dbraw/zinc/02/73/85/359027385.db2.gz JFWKKGNFJLUHAY-UHFFFAOYSA-N 0 0 209.142 2.191 10 0 BEAERN C[C@H]1C(=O)CCN(OCc2ccccc2)[C@@H]1C ZINC000306174064 358982598 /nfs/dbraw/zinc/98/25/98/358982598.db2.gz LHUQGKJUQCKCLD-VXGBXAGGSA-N 0 0 233.311 2.418 10 0 BEAERN Cc1ccc([C@]2(C)CC[C@@H](CO)O2)s1 ZINC000306178560 358989844 /nfs/dbraw/zinc/98/98/44/358989844.db2.gz HGIBHQFMKNLFGQ-ONGXEEELSA-N 0 0 212.314 2.443 10 0 BEAERN CC(C)(F)C(=O)Nc1ccnc(Cl)c1 ZINC000306187517 359003385 /nfs/dbraw/zinc/00/33/85/359003385.db2.gz BCRNKCADJLPWFM-UHFFFAOYSA-N 0 0 216.643 2.422 10 0 BEAERN O=C(Nc1ccncc1F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300430676 359003858 /nfs/dbraw/zinc/00/38/58/359003858.db2.gz IRSGYCRXEKOPII-AYMMMOKOSA-N 0 0 220.247 2.205 10 0 BEAERN O=c1c(CO)c[nH]c2cc(C(F)(F)F)ccc12 ZINC000039298182 359004138 /nfs/dbraw/zinc/00/41/38/359004138.db2.gz YOGIENHSLIMXBF-UHFFFAOYSA-N 0 0 243.184 2.039 10 0 BEAERN Cc1nccc(N[C@H]2COc3ccccc32)n1 ZINC000070530198 359058324 /nfs/dbraw/zinc/05/83/24/359058324.db2.gz ZREPLWDFTPDTJF-NSHDSACASA-N 0 0 227.267 2.331 10 0 BEAERN CCC[C@H](C)CC(=O)N1[C@H](C)COC[C@H]1C ZINC000247067885 359192494 /nfs/dbraw/zinc/19/24/94/359192494.db2.gz RXVOBCLMKPZDKL-QJPTWQEYSA-N 0 0 227.348 2.449 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@H]1C ZINC000246551247 359146743 /nfs/dbraw/zinc/14/67/43/359146743.db2.gz CWDPJNUXAIOYDN-WZRBSPASSA-N 0 0 217.312 2.390 10 0 BEAERN Cc1ccoc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247381410 359217012 /nfs/dbraw/zinc/21/70/12/359217012.db2.gz LDMLTMWCDJJHGE-TUAOUCFPSA-N 0 0 249.310 2.275 10 0 BEAERN C[C@@]1(CNc2cnns2)CCCS1 ZINC000306200775 359289542 /nfs/dbraw/zinc/28/95/42/359289542.db2.gz VSOFTEIPGLUIGJ-QMMMGPOBSA-N 0 0 215.347 2.236 10 0 BEAERN CC[C@H](N)c1nnc(C(C)(F)F)s1 ZINC000306203734 359293699 /nfs/dbraw/zinc/29/36/99/359293699.db2.gz MWMHBPACHBNUMB-BYPYZUCNSA-N 0 0 207.249 2.060 10 0 BEAERN O[C@@H](c1ccsn1)[C@@H]1CCCCS1 ZINC000306205814 359294632 /nfs/dbraw/zinc/29/46/32/359294632.db2.gz PBZVRNDDMVWOHA-IUCAKERBSA-N 0 0 215.343 2.462 10 0 BEAERN CC[C@@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000248374423 359272685 /nfs/dbraw/zinc/27/26/85/359272685.db2.gz QHYKKHNLSHPDDE-NXEZZACHSA-N 0 0 226.345 2.315 10 0 BEAERN CC(=O)Nc1c(N)cc(F)cc1Br ZINC000306225220 359355387 /nfs/dbraw/zinc/35/53/87/359355387.db2.gz UTEZDHNSROVTDT-UHFFFAOYSA-N 0 0 247.067 2.129 10 0 BEAERN CC[C@@H](CO)Nc1cccnc1Br ZINC000306216206 359322979 /nfs/dbraw/zinc/32/29/79/359322979.db2.gz BVVFZFCYXFZLMY-ZETCQYMHSA-N 0 0 245.120 2.027 10 0 BEAERN CSc1ccc(N[C@@H]2CC2(C)C)nn1 ZINC000306218098 359335311 /nfs/dbraw/zinc/33/53/11/359335311.db2.gz KWOBYLILANBIRA-SSDOTTSWSA-N 0 0 209.318 2.409 10 0 BEAERN C[C@]1(Cc2csnn2)CCC[C@]1(C)O ZINC000306218239 359336053 /nfs/dbraw/zinc/33/60/53/359336053.db2.gz FDNXYPWMDLJZCU-ZJUUUORDSA-N 0 0 212.318 2.022 10 0 BEAERN C[C@@]1(O)CCC[C@@]1(C)Cc1csnn1 ZINC000306218237 359336075 /nfs/dbraw/zinc/33/60/75/359336075.db2.gz FDNXYPWMDLJZCU-VHSXEESVSA-N 0 0 212.318 2.022 10 0 BEAERN OC[C@@H]1C[C@H]1Nc1nccc2sccc21 ZINC000308898955 491139944 /nfs/dbraw/zinc/13/99/44/491139944.db2.gz BFIKWCCTAXXUSM-IONNQARKSA-N 0 0 220.297 2.089 10 0 BEAERN Fc1ccc(SC2COC2)cc1F ZINC000306220943 359346754 /nfs/dbraw/zinc/34/67/54/359346754.db2.gz IVVLPSWHLXDSCN-UHFFFAOYSA-N 0 0 202.225 2.456 10 0 BEAERN Cc1ccc([C@@]2(O)COCC2(C)C)s1 ZINC000306241502 359421174 /nfs/dbraw/zinc/42/11/74/359421174.db2.gz RIUJRIBQJYGKMD-NSHDSACASA-N 0 0 212.314 2.301 10 0 BEAERN CSc1cc(N[C@H]2CC[C@@H]2C)ncn1 ZINC000306241462 359421299 /nfs/dbraw/zinc/42/12/99/359421299.db2.gz LCEUHDFYZBCTCS-YUMQZZPRSA-N 0 0 209.318 2.409 10 0 BEAERN COC1CC(O)(Cc2csc(C)c2)C1 ZINC000306237926 359399397 /nfs/dbraw/zinc/39/93/97/359399397.db2.gz PGPIJMQUBQJXEK-UHFFFAOYSA-N 0 0 212.314 2.139 10 0 BEAERN C[C@@H](NO)c1ccc(O)c(Br)c1 ZINC000306251348 359457539 /nfs/dbraw/zinc/45/75/39/359457539.db2.gz TYJGJZVZNRUZBQ-RXMQYKEDSA-N 0 0 232.077 2.195 10 0 BEAERN FCCCNc1cnc(Br)cn1 ZINC000306252957 359461090 /nfs/dbraw/zinc/46/10/90/359461090.db2.gz MUNOISLQJNVOJV-UHFFFAOYSA-N 0 0 234.072 2.011 10 0 BEAERN Cc1ncsc1-c1nncn1C(C)C ZINC000228227923 359501175 /nfs/dbraw/zinc/50/11/75/359501175.db2.gz IGJWOLPWOXESRO-UHFFFAOYSA-N 0 0 208.290 2.291 10 0 BEAERN C[C@@H](NN)c1c(Cl)ccc(F)c1F ZINC000306286975 359519223 /nfs/dbraw/zinc/51/92/23/359519223.db2.gz YDNRRKKRDZTMJA-SCSAIBSYSA-N 0 0 206.623 2.143 10 0 BEAERN C[C@@H]([C@@H](O)c1cnc(N)s1)C(C)(C)C ZINC000306299787 359547760 /nfs/dbraw/zinc/54/77/60/359547760.db2.gz FGAYQPSKGMIVIH-POYBYMJQSA-N 0 0 214.334 2.441 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CC(C)(C)C1 ZINC000217764330 359566418 /nfs/dbraw/zinc/56/64/18/359566418.db2.gz YSBZINBIZFCHTH-NXEZZACHSA-N 0 0 243.347 2.451 10 0 BEAERN CCc1nc(C)cc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000283409453 359532956 /nfs/dbraw/zinc/53/29/56/359532956.db2.gz ASUHDHUAWSCCKD-WDEREUQCSA-N 0 0 235.331 2.327 10 0 BEAERN C[C@H]1CSCCN1C(=O)C(C)(Cl)Cl ZINC000306303294 359579683 /nfs/dbraw/zinc/57/96/83/359579683.db2.gz HORCVNVNYLCLCW-LURJTMIESA-N 0 0 242.171 2.144 10 0 BEAERN O=C1CSC([C@@H]2COc3ccccc32)=N1 ZINC000306302442 359581623 /nfs/dbraw/zinc/58/16/23/359581623.db2.gz GTJYDACGYWIILT-MRVPVSSYSA-N 0 0 219.265 2.373 10 0 BEAERN CCNc1cc(Br)ccc1CO ZINC000306320229 359603514 /nfs/dbraw/zinc/60/35/14/359603514.db2.gz JSTIYPHAFYDTDW-UHFFFAOYSA-N 0 0 230.105 2.373 10 0 BEAERN CCN(C)c1cc(Cl)nc(Cl)n1 ZINC000306328579 359611305 /nfs/dbraw/zinc/61/13/05/359611305.db2.gz YHMJBVVWXFMBSS-UHFFFAOYSA-N 0 0 206.076 2.240 10 0 BEAERN CC[C@@H]1C[C@H]1NC(=O)C1(Br)CCC1 ZINC000306335662 359634952 /nfs/dbraw/zinc/63/49/52/359634952.db2.gz GLNRSXZUEWAAMI-HTQZYQBOSA-N 0 0 246.148 2.219 10 0 BEAERN CCc1csc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000309031937 491142868 /nfs/dbraw/zinc/14/28/68/491142868.db2.gz FJRICTHIJUXNSW-UWVGGRQHSA-N 0 0 226.345 2.421 10 0 BEAERN O=C1C[C@@H]([NH+]2CCCCC2)CN1c1ccccc1 ZINC000006096780 359664280 /nfs/dbraw/zinc/66/42/80/359664280.db2.gz HXYYSKMOHXXOAW-CQSZACIVSA-N 0 0 244.338 2.278 10 0 BEAERN C[C@H]1CN(Cc2cnc(Cl)cn2)CCS1 ZINC000231284567 359694471 /nfs/dbraw/zinc/69/44/71/359694471.db2.gz NXRQYCLLULFCGA-QMMMGPOBSA-N 0 0 243.763 2.067 10 0 BEAERN O=C(c1ccncn1)c1ccccc1Cl ZINC000069638988 359688713 /nfs/dbraw/zinc/68/87/13/359688713.db2.gz BGBGTTHTJKZOTN-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN C[C@H](O)C(=O)c1c(F)cccc1Cl ZINC000306405299 359792453 /nfs/dbraw/zinc/79/24/53/359792453.db2.gz BXGHGCPGYBWBGJ-YFKPBYRVSA-N 0 0 202.612 2.043 10 0 BEAERN Cc1cc(NC(N)=S)c(Cl)cc1F ZINC000306422513 359862487 /nfs/dbraw/zinc/86/24/87/359862487.db2.gz FIGWLQWIIWYDOZ-UHFFFAOYSA-N 0 0 218.684 2.443 10 0 BEAERN Nc1ccc(F)cc1N[C@H]1CCSC1 ZINC000231344214 359858436 /nfs/dbraw/zinc/85/84/36/359858436.db2.gz ZNTBZCBXVWIWDW-QMMMGPOBSA-N 0 0 212.293 2.325 10 0 BEAERN CN(CC(F)(F)F)c1cccc(F)n1 ZINC000040712231 359888301 /nfs/dbraw/zinc/88/83/01/359888301.db2.gz KSUADSGDRZYURH-UHFFFAOYSA-N 0 0 208.158 2.219 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000306431626 359924219 /nfs/dbraw/zinc/92/42/19/359924219.db2.gz ROLJZMRSULPRLJ-RITPCOANSA-N 0 0 228.094 2.187 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@H]1CC[C@H](F)C1 ZINC000306431627 359924309 /nfs/dbraw/zinc/92/43/09/359924309.db2.gz ROLJZMRSULPRLJ-WDSKDSINSA-N 0 0 228.094 2.187 10 0 BEAERN CC(C)[C@@H](O)Cc1nc([C@@H]2CCCS2)no1 ZINC000087716872 359925586 /nfs/dbraw/zinc/92/55/86/359925586.db2.gz RXJRRHMGBZVNSP-IUCAKERBSA-N 0 0 242.344 2.197 10 0 BEAERN C[C@@H]1CC[C@@]1(CC(=O)[O-])[NH+]1CCCCC1 ZINC000306446544 360010456 /nfs/dbraw/zinc/01/04/56/360010456.db2.gz VBRXWWMTXMMLPK-PWSUYJOCSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1C[C@H](C)[C@@H]2O[C@]2(c2ccnn2C)C1 ZINC000536960552 360014471 /nfs/dbraw/zinc/01/44/71/360014471.db2.gz RNMHVGCSZYDRSP-QCZKYFFMSA-N 0 0 206.289 2.080 10 0 BEAERN Ic1cccc([C@@H]2CO2)c1 ZINC000306453774 360040312 /nfs/dbraw/zinc/04/03/12/360040312.db2.gz YRWZARKJYRWLQH-QMMMGPOBSA-N 0 0 246.047 2.363 10 0 BEAERN CN[C@@]1(C(F)F)CCCc2occc21 ZINC000169278511 360046219 /nfs/dbraw/zinc/04/62/19/360046219.db2.gz RPMIKXOUKYDZAX-JTQLQIEISA-N 0 0 201.216 2.296 10 0 BEAERN O=C(CC1CCCCC1)NC[C@@H]1CCC[C@@H]1O ZINC000089160235 359995145 /nfs/dbraw/zinc/99/51/45/359995145.db2.gz ZBUQNYWFSSFLBG-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000089973751 360050804 /nfs/dbraw/zinc/05/08/04/360050804.db2.gz MRLXSAVMXKNZTC-DGCLKSJQSA-N 0 0 239.359 2.306 10 0 BEAERN OC[C@@H]1CC[C@H](c2cccc(F)c2)CO1 ZINC000536956913 360007659 /nfs/dbraw/zinc/00/76/59/360007659.db2.gz DJECXFGIOARMHO-JQWIXIFHSA-N 0 0 210.248 2.081 10 0 BEAERN CCc1nccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877598 360092706 /nfs/dbraw/zinc/09/27/06/360092706.db2.gz ROXRLNQXZBIIDQ-LBPRGKRZSA-N 0 0 228.295 2.449 10 0 BEAERN O=C1CCCCC[C@@H]1Cc1cnns1 ZINC000306462507 360074130 /nfs/dbraw/zinc/07/41/30/360074130.db2.gz HRUQDMRDBNFZNW-MRVPVSSYSA-N 0 0 210.302 2.230 10 0 BEAERN CC(C)[C@@H](O)[C@@H](O)c1ccsc1Cl ZINC000306463145 360075167 /nfs/dbraw/zinc/07/51/67/360075167.db2.gz IBTZQWNFZBLSTE-SFYZADRCSA-N 0 0 220.721 2.452 10 0 BEAERN FC(F)(F)c1cnnc(Br)c1 ZINC000306466816 360076298 /nfs/dbraw/zinc/07/62/98/360076298.db2.gz JWJPPTKCFCTADG-UHFFFAOYSA-N 0 0 226.983 2.258 10 0 BEAERN FC(F)CN1CCC=C(Br)C1 ZINC000306464335 360076874 /nfs/dbraw/zinc/07/68/74/360076874.db2.gz MKHNOAUURMVIDC-UHFFFAOYSA-N 0 0 226.064 2.236 10 0 BEAERN OC[C@@](O)(c1ccccc1)C1CCCC1 ZINC000035906012 360078975 /nfs/dbraw/zinc/07/89/75/360078975.db2.gz PZTPLIMWPOIMPS-CYBMUJFWSA-N 0 0 206.285 2.057 10 0 BEAERN Fc1[nH]ccc(=S)c1Br ZINC000306466080 360079940 /nfs/dbraw/zinc/07/99/40/360079940.db2.gz FQLIOGQDWYCXFV-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN CC1(C[C@H](O)[C@@H]2CSCCO2)CCC1 ZINC000306469313 360081846 /nfs/dbraw/zinc/08/18/46/360081846.db2.gz PEOVWZRFQLLICD-UWVGGRQHSA-N 0 0 216.346 2.060 10 0 BEAERN O=C([O-])[C@@]1(Cc2sccc2Cl)CC[NH2+]C1 ZINC000306478709 360115946 /nfs/dbraw/zinc/11/59/46/360115946.db2.gz ZPAFSNXTISTFBP-SNVBAGLBSA-N 0 0 245.731 2.008 10 0 BEAERN Cc1csc([C@H](O)Cc2ncc[nH]2)c1 ZINC000306479803 360119704 /nfs/dbraw/zinc/11/97/04/360119704.db2.gz BNKYYYLYJVEAPW-MRVPVSSYSA-N 0 0 208.286 2.056 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)COC3)O1 ZINC000091673743 360124394 /nfs/dbraw/zinc/12/43/94/360124394.db2.gz FJIVZRPFGXQRSZ-RNCFNFMXSA-N 0 0 247.294 2.223 10 0 BEAERN Cc1csc([C@@H](NN)c2ccsn2)c1 ZINC000306489218 360176877 /nfs/dbraw/zinc/17/68/77/360176877.db2.gz LIFFLZIICUKQKB-VIFPVBQESA-N 0 0 225.342 2.066 10 0 BEAERN C[C@@H]1CC[C@H](Cn2ccc(Cl)n2)O1 ZINC000306490692 360206607 /nfs/dbraw/zinc/20/66/07/360206607.db2.gz VKGGJIZAFPXWPI-HTQZYQBOSA-N 0 0 200.669 2.104 10 0 BEAERN CC(C)(C)c1ccc2[nH]c(=NN)[nH]c2c1 ZINC000213315022 360289091 /nfs/dbraw/zinc/28/90/91/360289091.db2.gz UCISUHSIJSSPOD-UHFFFAOYSA-N 0 0 204.277 2.146 10 0 BEAERN c1nsc(NC[C@H]2CCCSC2)n1 ZINC000306511210 360336782 /nfs/dbraw/zinc/33/67/82/360336782.db2.gz MMXARUBQRAJQRO-SSDOTTSWSA-N 0 0 215.347 2.093 10 0 BEAERN Nc1ccc(Cl)nc1-n1cc(Cl)cn1 ZINC000228448210 360336973 /nfs/dbraw/zinc/33/69/73/360336973.db2.gz GFPGJVFRFDBJMK-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN CC(C)(CF)Nc1cncc(Cl)n1 ZINC000306516711 360341253 /nfs/dbraw/zinc/34/12/53/360341253.db2.gz YUAXZXLSKLKJOS-UHFFFAOYSA-N 0 0 203.648 2.290 10 0 BEAERN CC[C@H](C)Nc1nc(Cl)c(CO)s1 ZINC000306515339 360341659 /nfs/dbraw/zinc/34/16/59/360341659.db2.gz CYKZWOMLCVBDOK-YFKPBYRVSA-N 0 0 220.725 2.499 10 0 BEAERN CCC1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCC1 ZINC000094905418 360325994 /nfs/dbraw/zinc/32/59/94/360325994.db2.gz PURHAYPDNLSTNO-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN OC1(c2coc(Br)c2)CC1 ZINC000306524593 360369413 /nfs/dbraw/zinc/36/94/13/360369413.db2.gz ZANKLVLVWOMJJE-UHFFFAOYSA-N 0 0 203.035 2.024 10 0 BEAERN Cc1cnc([C@@H](O)c2csc(C)n2)s1 ZINC000306560723 360437621 /nfs/dbraw/zinc/43/76/21/360437621.db2.gz BIRMBUCNLIBFDD-QMMMGPOBSA-N 0 0 226.326 2.298 10 0 BEAERN C[C@@H]1[C@@H](C)CCN1c1cc(Cl)ncn1 ZINC000306563339 360440909 /nfs/dbraw/zinc/44/09/09/360440909.db2.gz VNRNECRGIADEPJ-JGVFFNPUSA-N 0 0 211.696 2.365 10 0 BEAERN C[C@]1(O)CCCN(CC(Cl)(Cl)Cl)C1 ZINC000306563261 360441007 /nfs/dbraw/zinc/44/10/07/360441007.db2.gz VLFZJNOVCSUGTH-ZETCQYMHSA-N 0 0 246.565 2.203 10 0 BEAERN C[C@H]1CCN(c2ncc(C=O)s2)CCS1 ZINC000306564295 360442655 /nfs/dbraw/zinc/44/26/55/360442655.db2.gz QDIZUXRHSLLEGI-QMMMGPOBSA-N 0 0 242.369 2.287 10 0 BEAERN Cc1ccccc1CNc1cnsn1 ZINC000306565690 360443450 /nfs/dbraw/zinc/44/34/50/360443450.db2.gz RKYIQFVKMZNAJC-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN C[C@H](Oc1cnc(Cl)cn1)C(F)(F)F ZINC000306565631 360443959 /nfs/dbraw/zinc/44/39/59/360443959.db2.gz FPAAUWHDOGGUDA-BYPYZUCNSA-N 0 0 226.585 2.460 10 0 BEAERN C[C@H](Nc1ncc(F)cn1)C(C)(F)F ZINC000306565934 360444620 /nfs/dbraw/zinc/44/46/20/360444620.db2.gz YCGQVBUECDVJBC-YFKPBYRVSA-N 0 0 205.183 2.071 10 0 BEAERN Cc1ccsc1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000614140289 363732447 /nfs/dbraw/zinc/73/24/47/363732447.db2.gz HSCGXUWOZBOZQQ-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1ccsc1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000614140290 363732851 /nfs/dbraw/zinc/73/28/51/363732851.db2.gz HSCGXUWOZBOZQQ-ZJUUUORDSA-N 0 0 239.340 2.090 10 0 BEAERN CC1(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000306537125 360403194 /nfs/dbraw/zinc/40/31/94/360403194.db2.gz LDGSQGHBKAYPRI-MRVPVSSYSA-N 0 0 222.115 2.239 10 0 BEAERN C[C@@H]1C[C@@H](SC2CCCC2)C(=O)O1 ZINC000306540309 360405457 /nfs/dbraw/zinc/40/54/57/360405457.db2.gz OSZQOMMAXKPKCN-VXNVDRBHSA-N 0 0 200.303 2.366 10 0 BEAERN CN1CCC[C@@H](SC(C)(C)C)C1=O ZINC000306540486 360405704 /nfs/dbraw/zinc/40/57/04/360405704.db2.gz RSUWVOKOFZUMJN-MRVPVSSYSA-N 0 0 201.335 2.139 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1 ZINC000614144266 363734044 /nfs/dbraw/zinc/73/40/44/363734044.db2.gz OUVSYPUJUDGCMK-KBPBESRZSA-N 0 0 247.338 2.282 10 0 BEAERN Cc1cc(C)nc(-c2nc(N)cs2)c1 ZINC000306547098 360415265 /nfs/dbraw/zinc/41/52/65/360415265.db2.gz WYBFUQDRMBQVCZ-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cnc([C@@H]2NC[C@@H](C)S2)s1 ZINC000306547335 360416285 /nfs/dbraw/zinc/41/62/85/360416285.db2.gz CCYFFBHPRNDAAZ-HTRCEHHLSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1nc(-c2cn[nH]c2)nc(Cl)c1C ZINC000306549326 360418555 /nfs/dbraw/zinc/41/85/55/360418555.db2.gz DOCRVSMUCFYMPU-UHFFFAOYSA-N 0 0 208.652 2.137 10 0 BEAERN COc1cncc(-c2cnc(C=O)s2)c1 ZINC000306550281 360421047 /nfs/dbraw/zinc/42/10/47/360421047.db2.gz CJQWNKOALGHGSF-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN C[C@@H](CO)Nc1cccc(Cl)c1F ZINC000306552967 360426665 /nfs/dbraw/zinc/42/66/65/360426665.db2.gz JCARWSZUFOKTED-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN Cc1c(N[C@@H](C)C(F)(F)F)cnn1C ZINC000306553118 360426685 /nfs/dbraw/zinc/42/66/85/360426685.db2.gz KRKSUXBWTFCRCA-LURJTMIESA-N 0 0 207.199 2.091 10 0 BEAERN C[C@@H](CC(F)F)Nc1ncc(F)cn1 ZINC000306556908 360428906 /nfs/dbraw/zinc/42/89/06/360428906.db2.gz IPCTZPVRXIUSDM-YFKPBYRVSA-N 0 0 205.183 2.071 10 0 BEAERN C[C@H](NC1=N[C@@H](C)CCS1)C(F)(F)F ZINC000306559589 360434037 /nfs/dbraw/zinc/43/40/37/360434037.db2.gz QQXDYRCOPHWKIC-WDSKDSINSA-N 0 0 226.267 2.408 10 0 BEAERN Cc1c[nH]c(=S)n1[C@@H]1CSC[C@H]1C ZINC000306578768 360468751 /nfs/dbraw/zinc/46/87/51/360468751.db2.gz MMWUPFZNLCIWDJ-HTRCEHHLSA-N 0 0 214.359 2.404 10 0 BEAERN NC(=O)c1ccc(N[C@H]2CCCSC2)cc1 ZINC000061571038 181301388 /nfs/dbraw/zinc/30/13/88/181301388.db2.gz WTKGRJQJORCYEU-NSHDSACASA-N 0 0 236.340 2.093 10 0 BEAERN Cc1cn([C@H]2CSC[C@H]2C)c(=S)[nH]1 ZINC000306584092 360483904 /nfs/dbraw/zinc/48/39/04/360483904.db2.gz PWQNURJVCGITRN-SVRRBLITSA-N 0 0 214.359 2.404 10 0 BEAERN NC(=O)c1ccc(Oc2ccc(F)cc2N)cc1 ZINC000019869296 181301232 /nfs/dbraw/zinc/30/12/32/181301232.db2.gz OCKUFNJVPWJRRL-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN CCC1N=NC(=S)N1[C@@H]1CS[C@@H](C)C1 ZINC000306571519 360458111 /nfs/dbraw/zinc/45/81/11/360458111.db2.gz HANLADDBGBNASM-BQBZGAKWSA-N 0 0 229.374 2.196 10 0 BEAERN C[C@H]1C[C@@H]1NC(=S)Nc1ccsc1 ZINC000306574273 360462504 /nfs/dbraw/zinc/46/25/04/360462504.db2.gz RFPSVVZWESOBPG-XPUUQOCRSA-N 0 0 212.343 2.443 10 0 BEAERN FC1(F)CC[C@@H](NC2N=NC(=S)S2)C1 ZINC000306592981 360513521 /nfs/dbraw/zinc/51/35/21/360513521.db2.gz IOYYCIQGNUQTEF-SCSAIBSYSA-N 0 0 237.300 2.427 10 0 BEAERN CC(C)n1nccc1[C@H]1NC[C@@H](C)S1 ZINC000306595686 360516568 /nfs/dbraw/zinc/51/65/68/360516568.db2.gz LKEKLPZMQTXLJH-SCZZXKLOSA-N 0 0 211.334 2.188 10 0 BEAERN CC(C)n1nccc1[C@H]1NC[C@H](C)S1 ZINC000306595688 360516582 /nfs/dbraw/zinc/51/65/82/360516582.db2.gz LKEKLPZMQTXLJH-WPRPVWTQSA-N 0 0 211.334 2.188 10 0 BEAERN O=Cc1cc(Br)cnc1NC1CC1 ZINC000238037735 360537839 /nfs/dbraw/zinc/53/78/39/360537839.db2.gz QWTJDRTWKSVVTK-UHFFFAOYSA-N 0 0 241.088 2.231 10 0 in-vitro BEAERN COc1cccc(C=O)c1SC(=O)N(C)C ZINC000039401081 360578891 /nfs/dbraw/zinc/57/88/91/360578891.db2.gz YPVRHIKRKOSZBR-UHFFFAOYSA-N 0 0 239.296 2.281 10 0 BEAERN CC(=O)c1ccc(Br)c(C)n1 ZINC000238138997 360609046 /nfs/dbraw/zinc/60/90/46/360609046.db2.gz YKKHITFASBAXBZ-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN Nc1c(-c2ccc(O)cc2)nc2ccccn12 ZINC000039440122 360644506 /nfs/dbraw/zinc/64/45/06/360644506.db2.gz QQMSVPFRUYRHDO-UHFFFAOYSA-N 0 0 225.251 2.289 10 0 BEAERN NC(=O)c1cnc2sccc2c1Cl ZINC000038302127 181308919 /nfs/dbraw/zinc/30/89/19/181308919.db2.gz QFGBEWMSRBYZQK-UHFFFAOYSA-N 0 0 212.661 2.049 10 0 BEAERN CCNc1nccc(-c2cncs2)n1 ZINC000238269665 360770632 /nfs/dbraw/zinc/77/06/32/360770632.db2.gz AHGGRQVQNBBPEI-UHFFFAOYSA-N 0 0 206.274 2.032 10 0 BEAERN NC(=O)c1oc2cc(C(F)(F)F)ccc2c1N ZINC000200148235 181313840 /nfs/dbraw/zinc/31/38/40/181313840.db2.gz LEHQTAUPBCDPGS-UHFFFAOYSA-N 0 0 244.172 2.133 10 0 BEAERN NC(=S)CCCOc1ccc(F)c(F)c1 ZINC000036749962 181315689 /nfs/dbraw/zinc/31/56/89/181315689.db2.gz NUKXDRHMPAKLIP-UHFFFAOYSA-N 0 0 231.267 2.410 10 0 BEAERN NC(=S)CCCOC1CCCCC1 ZINC000019433853 181314755 /nfs/dbraw/zinc/31/47/55/181314755.db2.gz QQBSLDGFKYWXLP-UHFFFAOYSA-N 0 0 201.335 2.402 10 0 BEAERN NC(=S)CCCOc1ccc(F)cc1 ZINC000019486256 181314802 /nfs/dbraw/zinc/31/48/02/181314802.db2.gz FEUQMTHZWWKUKX-UHFFFAOYSA-N 0 0 213.277 2.271 10 0 BEAERN NC(=S)CCCOc1ccc(F)cc1F ZINC000019483748 181314978 /nfs/dbraw/zinc/31/49/78/181314978.db2.gz XNOQUBXKYAVWOM-UHFFFAOYSA-N 0 0 231.267 2.410 10 0 BEAERN NC(=S)CO[C@H]1CCCc2ccccc21 ZINC000019515504 181316714 /nfs/dbraw/zinc/31/67/14/181316714.db2.gz KSVXTFODGZMMKC-NSHDSACASA-N 0 0 221.325 2.367 10 0 BEAERN NC(=S)CCn1ccc2ccccc21 ZINC000058014627 181316629 /nfs/dbraw/zinc/31/66/29/181316629.db2.gz SGGLHCFOJKYLTK-UHFFFAOYSA-N 0 0 204.298 2.318 10 0 BEAERN NC(=S)Cc1ccc(OCC(F)(F)F)cc1 ZINC000019480592 181317988 /nfs/dbraw/zinc/31/79/88/181317988.db2.gz AJCAGSQNFDBHAC-UHFFFAOYSA-N 0 0 249.257 2.456 10 0 BEAERN COc1cnc(F)c(OC(F)(F)F)c1 ZINC000238408893 360996182 /nfs/dbraw/zinc/99/61/82/360996182.db2.gz MGYDBSZLQFARMJ-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cc(CO)cc(F)c1SC ZINC000238408256 360996763 /nfs/dbraw/zinc/99/67/63/360996763.db2.gz RVZYMQCOKRBOCP-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN Cc1cc(-c2nc(C=O)c[nH]2)ccc1F ZINC000069906789 361002048 /nfs/dbraw/zinc/00/20/48/361002048.db2.gz OPHRMBSLYGMMCD-UHFFFAOYSA-N 0 0 204.204 2.337 10 0 BEAERN NC(=S)c1cc(F)ccc1C(F)(F)F ZINC000083352366 181320474 /nfs/dbraw/zinc/32/04/74/181320474.db2.gz YHVGYFOBZRDGQB-UHFFFAOYSA-N 0 0 223.194 2.479 10 0 BEAERN COc1ccc(O)c(C)c1Br ZINC000238376279 360980353 /nfs/dbraw/zinc/98/03/53/360980353.db2.gz FEXNGIICGHEIBG-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)[C@@H](C)C[S@]2=O ZINC000040973046 360984365 /nfs/dbraw/zinc/98/43/65/360984365.db2.gz KEZATLBMROIEFL-VFZGTOFNSA-N 0 0 222.309 2.243 10 0 BEAERN Cc1ccc2c(c1)C(=O)CCC[S@]2=O ZINC000040973058 360984969 /nfs/dbraw/zinc/98/49/69/360984969.db2.gz AQZXNTMCALFDKN-AWEZNQCLSA-N 0 0 208.282 2.079 10 0 BEAERN Cc1ccc2c(c1)C(=O)CCC[S@@]2=O ZINC000040973056 360985408 /nfs/dbraw/zinc/98/54/08/360985408.db2.gz AQZXNTMCALFDKN-CQSZACIVSA-N 0 0 208.282 2.079 10 0 BEAERN COC(=O)Cc1cc(F)cc(Cl)c1F ZINC000238387906 360988583 /nfs/dbraw/zinc/98/85/83/360988583.db2.gz JXLRHLOHLHODCP-UHFFFAOYSA-N 0 0 220.602 2.334 10 0 BEAERN COc1ccc(OC(F)(F)F)c(C=O)c1 ZINC000238384256 360988964 /nfs/dbraw/zinc/98/89/64/360988964.db2.gz GNGSCMIANCKBQH-UHFFFAOYSA-N 0 0 220.146 2.406 10 0 BEAERN COc1ncc(F)cc1OC(F)(F)F ZINC000238414715 361010490 /nfs/dbraw/zinc/01/04/90/361010490.db2.gz SBNPKIAZLOSOFC-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN NC(=S)c1ccnc(OCc2ccccc2)c1 ZINC000019430129 181321576 /nfs/dbraw/zinc/32/15/76/181321576.db2.gz QBSWHVKDEYODQZ-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN NC(=S)c1ccccc1OCc1ccncc1 ZINC000019431276 181321840 /nfs/dbraw/zinc/32/18/40/181321840.db2.gz PVGMGTDQRCRHSL-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN CCN(C1=NC(=O)CS1)c1ccccc1 ZINC000006869950 361047843 /nfs/dbraw/zinc/04/78/43/361047843.db2.gz QRVYDHLNNGJDCZ-UHFFFAOYSA-N 0 0 220.297 2.142 10 0 BEAERN O[C@@H](c1cnns1)c1ccc(Cl)cc1 ZINC000138660401 361068835 /nfs/dbraw/zinc/06/88/35/361068835.db2.gz VLCLSRWZDVPTKB-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN CC[C@]1(O)CCCN(C(=O)[C@H]2CCC[C@H]2C)C1 ZINC000634204953 361070061 /nfs/dbraw/zinc/07/00/61/361070061.db2.gz PVGOGNJQQMNKMK-DYEKYZERSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cc(C=O)cc(OC(F)(F)F)n1 ZINC000238463292 361086971 /nfs/dbraw/zinc/08/69/71/361086971.db2.gz GCLCPOCXUCQFJT-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN O=Cc1nc(OC(F)F)ccc1Cl ZINC000238527097 361139552 /nfs/dbraw/zinc/13/95/52/361139552.db2.gz WFLOCHCCYNOOSN-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN COc1ccccc1C1CCN(C(C)=O)CC1 ZINC000169806196 361141473 /nfs/dbraw/zinc/14/14/73/361141473.db2.gz VFHXDFACJOQRGJ-UHFFFAOYSA-N 0 0 233.311 2.421 10 0 BEAERN O=Cc1cc(Cl)cnc1OC(F)(F)F ZINC000238548440 361147734 /nfs/dbraw/zinc/14/77/34/361147734.db2.gz OYZFBSNGECYVBZ-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN NC(=O)c1cc(OC(F)(F)F)ccc1Cl ZINC000238617384 361166976 /nfs/dbraw/zinc/16/69/76/361166976.db2.gz LZGPNJMSNIGXHQ-UHFFFAOYSA-N 0 0 239.580 2.338 10 0 BEAERN NC(=O)c1cccc(Cl)c1OC(F)(F)F ZINC000238625564 361167821 /nfs/dbraw/zinc/16/78/21/361167821.db2.gz BJSNIUVLFXFYQU-UHFFFAOYSA-N 0 0 239.580 2.338 10 0 BEAERN Nc1nccc(Cl)c1OC(F)(F)F ZINC000238699096 361180459 /nfs/dbraw/zinc/18/04/59/361180459.db2.gz OZFKYULBGGKFIO-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN CCn1cc(C=O)c(-c2ccc(C)o2)n1 ZINC000041043577 361181632 /nfs/dbraw/zinc/18/16/32/361181632.db2.gz BQDJLEVURNFCIJ-UHFFFAOYSA-N 0 0 204.229 2.284 10 0 BEAERN Cc1cc(-c2n[nH]c(C3CC3)n2)ccc1N ZINC000041058757 361219909 /nfs/dbraw/zinc/21/99/09/361219909.db2.gz KLKFLPVRJIDMAZ-UHFFFAOYSA-N 0 0 214.272 2.240 10 0 BEAERN CC(C)CCN(C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000079620099 370681458 /nfs/dbraw/zinc/68/14/58/370681458.db2.gz ASRNNPQAGFCOQF-NWDGAFQWSA-N 0 0 242.363 2.241 10 0 BEAERN COc1ccc(Cl)c2ccc(=O)[nH]c12 ZINC000070054915 361388856 /nfs/dbraw/zinc/38/88/56/361388856.db2.gz VKVGTTFXNHGQHJ-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN NN=c1ccc2c(Cl)ccc(F)c2[nH]1 ZINC000070063997 361392771 /nfs/dbraw/zinc/39/27/71/361392771.db2.gz VVJJBETXSCNYKU-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN N[C@H](c1ncon1)c1cccc(C(F)(F)F)c1 ZINC000036762054 361397861 /nfs/dbraw/zinc/39/78/61/361397861.db2.gz LUWPSGCEORCLKL-QMMMGPOBSA-N 0 0 243.188 2.137 10 0 BEAERN CONCc1ccc(F)cc1Br ZINC000070267962 361501238 /nfs/dbraw/zinc/50/12/38/361501238.db2.gz YPFOJDJIVKGQGJ-UHFFFAOYSA-N 0 0 234.068 2.239 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)[C@H]1CCC[C@@H]1C ZINC000629635981 361525998 /nfs/dbraw/zinc/52/59/98/361525998.db2.gz NQOFXJYQSKUOGW-RYUDHWBXSA-N 0 0 241.375 2.432 10 0 BEAERN CC(=O)c1nc(-c2cnccn2)sc1C ZINC000306637056 361526903 /nfs/dbraw/zinc/52/69/03/361526903.db2.gz BLSHCQAZZLKZNZ-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN CC(=O)c1cnn(C/C(Cl)=C\Cl)c1 ZINC000381829102 361529753 /nfs/dbraw/zinc/52/97/53/361529753.db2.gz BONYWGHAEIJAFY-KRXBUXKQSA-N 0 0 219.071 2.405 10 0 BEAERN C[C@H]1[C@H](CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000139095624 361567428 /nfs/dbraw/zinc/56/74/28/361567428.db2.gz JVJBNQGSJULIFC-AAEUAGOBSA-N 0 0 233.311 2.372 10 0 BEAERN Cc1cc(NC(=O)NCc2ccccc2)n[nH]1 ZINC000170287160 361577665 /nfs/dbraw/zinc/57/76/65/361577665.db2.gz DUJKJHGEIZRGJF-UHFFFAOYSA-N 0 0 230.271 2.040 10 0 BEAERN Cc1nn(C)c(C)c1C1=NC(=S)SC1 ZINC000070598220 361581127 /nfs/dbraw/zinc/58/11/27/361581127.db2.gz OGKTWDQQFZPLFB-UHFFFAOYSA-N 0 0 225.342 2.449 10 0 BEAERN COC(=O)[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000037073974 361632706 /nfs/dbraw/zinc/63/27/06/361632706.db2.gz YQAZCTUFIYNZAM-YUMQZZPRSA-N 0 0 243.253 2.177 10 0 BEAERN CC(C)CCc1nnc2c(Cl)nccn12 ZINC000070616310 361632796 /nfs/dbraw/zinc/63/27/96/361632796.db2.gz LJYJPBCPJLXELW-UHFFFAOYSA-N 0 0 224.695 2.366 10 0 BEAERN CC[C@H](Nc1cc(COC)ncn1)C(C)C ZINC000310018183 491160167 /nfs/dbraw/zinc/16/01/67/491160167.db2.gz LVIMWEIULFHPNA-NSHDSACASA-N 0 0 223.320 2.470 10 0 BEAERN COC(C)(C)c1ccc(-c2cnc(N)nc2)cc1 ZINC000629753985 361685428 /nfs/dbraw/zinc/68/54/28/361685428.db2.gz JECOOICIWZWHHT-UHFFFAOYSA-N 0 0 243.310 2.438 10 0 BEAERN Cc1c(Cl)ncnc1OCC(F)F ZINC000130626058 363831400 /nfs/dbraw/zinc/83/14/00/363831400.db2.gz YQTNAKFUWMXDDI-UHFFFAOYSA-N 0 0 208.595 2.082 10 0 BEAERN Fc1c(Cl)cccc1OC[C@H]1CO1 ZINC000130644539 363870756 /nfs/dbraw/zinc/87/07/56/363870756.db2.gz HVEIYWINXDTLEG-ZCFIWIBFSA-N 0 0 202.612 2.257 10 0 BEAERN C[C@@H]1C[C@](O)(C(F)(F)Br)CS1 ZINC000225656242 363851685 /nfs/dbraw/zinc/85/16/85/363851685.db2.gz ZNGQCAIHXJSGOD-RFZPGFLSSA-N 0 0 247.104 2.231 10 0 BEAERN Cc1ncsc1[C@@H](O)Cc1nccs1 ZINC000161273069 363881566 /nfs/dbraw/zinc/88/15/66/363881566.db2.gz DSUUYYOBHGEMDJ-ZETCQYMHSA-N 0 0 226.326 2.184 10 0 BEAERN CC[C@H](NC(=O)CCCOC)c1nccs1 ZINC000130657222 363895526 /nfs/dbraw/zinc/89/55/26/363895526.db2.gz ZLENYVJCBQCVEC-VIFPVBQESA-N 0 0 242.344 2.137 10 0 BEAERN Nc1nn(CCC(F)(F)F)cc1Cl ZINC000070913382 541310260 /nfs/dbraw/zinc/31/02/60/541310260.db2.gz ZLRVGUGYSZOLCM-UHFFFAOYSA-N 0 0 213.590 2.071 10 0 BEAERN COC(=O)[C@@]1(Cl)OC12CCC(C)CC2 ZINC000234579693 541311440 /nfs/dbraw/zinc/31/14/40/541311440.db2.gz MTELQWNFNSLJBM-YXGXMSFMSA-N 0 0 218.680 2.074 10 0 BEAERN CC(C)=CCCn1c(C)c(N)ccc1=O ZINC000718552555 541316427 /nfs/dbraw/zinc/31/64/27/541316427.db2.gz VIUKCBRRPXPGNV-UHFFFAOYSA-N 0 0 206.289 2.095 10 0 BEAERN O=C(C1CCC1)[C@@H]1CSCCS1 ZINC000161300483 363994933 /nfs/dbraw/zinc/99/49/33/363994933.db2.gz KSGZAZHONVHDPU-QMMMGPOBSA-N 0 0 202.344 2.204 10 0 BEAERN CCc1cnn2c1NCC[C@@H]2C(F)(F)F ZINC000234140606 541326216 /nfs/dbraw/zinc/32/62/16/541326216.db2.gz JYNSRHBVQWDUCN-SSDOTTSWSA-N 0 0 219.210 2.365 10 0 BEAERN CN(C)NCc1cccc(F)c1Br ZINC000214930316 364024005 /nfs/dbraw/zinc/02/40/05/364024005.db2.gz NPUWHJDGFOWJEC-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN C[C@@H]1C[C@@H](C)[C@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000725262111 541335230 /nfs/dbraw/zinc/33/52/30/541335230.db2.gz XALJRSYFAUVNHU-MXWKQRLJSA-N 0 0 243.347 2.260 10 0 BEAERN Cc1c(Cl)c2cc(N)c(F)cc2n(C)c1=O ZINC000725259535 541333523 /nfs/dbraw/zinc/33/35/23/541333523.db2.gz FYVSFQLUSXEFID-UHFFFAOYSA-N 0 0 240.665 2.222 10 0 BEAERN CCC[C@H]1CC(=O)CC[C@@H]1C(=O)OCC ZINC000725271545 541339562 /nfs/dbraw/zinc/33/95/62/541339562.db2.gz PCBAIAZSFBFHCJ-ONGXEEELSA-N 0 0 212.289 2.335 10 0 BEAERN CCOC(=O)CN[C@H](C)c1cc(F)ccc1F ZINC000037563631 364191764 /nfs/dbraw/zinc/19/17/64/364191764.db2.gz PGSKTJMQDWOHBH-MRVPVSSYSA-N 0 0 243.253 2.179 10 0 BEAERN CCN(c1nc(Cl)nc(Cl)n1)C(C)C ZINC000038237072 364264980 /nfs/dbraw/zinc/26/49/80/364264980.db2.gz CGEYIGLEECIFTM-UHFFFAOYSA-N 0 0 235.118 2.413 10 0 BEAERN CCCc1nsc(N[C@H]2CCO[C@@H]2C)n1 ZINC000134574655 364406614 /nfs/dbraw/zinc/40/66/14/364406614.db2.gz INJXSLQTRUKEPP-SFYZADRCSA-N 0 0 227.333 2.080 10 0 BEAERN C[C@]1(C(=O)Cc2ccoc2)CCCCO1 ZINC000130689542 364431849 /nfs/dbraw/zinc/43/18/49/364431849.db2.gz YEQQLKPHRBQDJB-GFCCVEGCSA-N 0 0 208.257 2.350 10 0 BEAERN O=C(Cc1ccoc1)c1ccncc1F ZINC000130694882 364541298 /nfs/dbraw/zinc/54/12/98/364541298.db2.gz MLGZMYABSNMIEF-UHFFFAOYSA-N 0 0 205.188 2.239 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@H](C)CC[C@H]2C ZINC000300029217 541372534 /nfs/dbraw/zinc/37/25/34/541372534.db2.gz OICVUWWHSSDCBR-HZQMYPQZSA-N 0 0 232.707 2.320 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccco1 ZINC000211178301 541405905 /nfs/dbraw/zinc/40/59/05/541405905.db2.gz RFELWHKRGZUQGQ-MRVPVSSYSA-N 0 0 239.271 2.376 10 0 BEAERN [NH3+]CCCCCCCCCC[P@@](=O)([O-])O ZINC000096394985 181375487 /nfs/dbraw/zinc/37/54/87/181375487.db2.gz JXCXYNMSRUFZJX-UHFFFAOYSA-N 0 0 237.280 2.244 10 0 BEAERN CC[C@@H](C)c1noc(-c2cc3n(n2)CCCO3)n1 ZINC000329725934 541426323 /nfs/dbraw/zinc/42/63/23/541426323.db2.gz DQUYLFRWOOVAMP-MRVPVSSYSA-N 0 0 248.286 2.229 10 0 BEAERN Cc1cc(-c2cncc(N)c2C)sn1 ZINC000669385135 541438563 /nfs/dbraw/zinc/43/85/63/541438563.db2.gz ZOXSFGOWHYTTLP-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CCOC(=O)[C@H](O)C1=CC[C@H](CC)CC1 ZINC000675053938 541433231 /nfs/dbraw/zinc/43/32/31/541433231.db2.gz RIHPXFXPJUGGHL-GXSJLCMTSA-N 0 0 212.289 2.047 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]12CCC21CCCCC1 ZINC000669384166 541437758 /nfs/dbraw/zinc/43/77/58/541437758.db2.gz PHEBNYFCXSTNCE-YPMHNXCESA-N 0 0 224.300 2.431 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC21CCCC1 ZINC000669384225 541437850 /nfs/dbraw/zinc/43/78/50/541437850.db2.gz QLHNQLQKHLMJKB-CMPLNLGQSA-N 0 0 210.273 2.041 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC[C@H](C)[C@@H]2C ZINC000252128726 541445707 /nfs/dbraw/zinc/44/57/07/541445707.db2.gz KLDNXGCAPDJNML-QSFUFRPTSA-N 0 0 212.289 2.143 10 0 BEAERN [NH3+]CC[C@H](Oc1cccc2ccccc21)C(=O)[O-] ZINC000077398270 181408872 /nfs/dbraw/zinc/40/88/72/181408872.db2.gz UGNRVOFBBSSCBJ-ZDUSSCGKSA-N 0 0 245.278 2.021 10 0 BEAERN COC[C@H](C)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000171442957 365200180 /nfs/dbraw/zinc/20/01/80/365200180.db2.gz OPBKYJBMIJTDQL-DCAQKATOSA-N 0 0 227.348 2.210 10 0 BEAERN COC[C@@H](C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000171448011 365200771 /nfs/dbraw/zinc/20/07/71/365200771.db2.gz HWVKXYMPUOBKSE-MNOVXSKESA-N 0 0 227.348 2.304 10 0 BEAERN CC(C)c1cc(=NN)[nH]c2ncccc12 ZINC000116567192 370805838 /nfs/dbraw/zinc/80/58/38/370805838.db2.gz OFDZKBFTLZFTIK-UHFFFAOYSA-N 0 0 202.261 2.039 10 0 BEAERN CCCCN(C)c1ccc(N)c2nonc21 ZINC000035675273 168786247 /nfs/dbraw/zinc/78/62/47/168786247.db2.gz LHVAKPGLNNMXKW-UHFFFAOYSA-N 0 0 220.276 2.041 10 0 BEAERN CCCCO[C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000171564736 365217146 /nfs/dbraw/zinc/21/71/46/365217146.db2.gz USKRKTMOXRWKDZ-WDEREUQCSA-N 0 0 245.388 2.156 10 0 BEAERN C=C(Br)[S@@](=O)C(F)(F)F ZINC000675049936 541462141 /nfs/dbraw/zinc/46/21/41/541462141.db2.gz BCQVSSNYAIOBHN-SECBINFHSA-N 0 0 223.013 2.121 10 0 BEAERN C[C@@H]1CCC[C@H]([C@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C1 ZINC000675060374 541463393 /nfs/dbraw/zinc/46/33/93/541463393.db2.gz YBUGTGKEUISHQB-KXNHARMFSA-N 0 0 225.332 2.123 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H](C2CCCCCC2)C1 ZINC000675060462 541463556 /nfs/dbraw/zinc/46/35/56/541463556.db2.gz YYMFQMAZTKZTKB-VXGBXAGGSA-N 0 0 225.332 2.267 10 0 BEAERN O=Cc1cc(N2CC[C@@H](CF)C2)cs1 ZINC000675064785 541466868 /nfs/dbraw/zinc/46/68/68/541466868.db2.gz SQQZTWFTVNYPAA-QMMMGPOBSA-N 0 0 213.277 2.356 10 0 BEAERN CC[C@@H]1[C@H](C)CNc2nc(C(F)F)nn21 ZINC000312878815 541469005 /nfs/dbraw/zinc/46/90/05/541469005.db2.gz FFYOLERJCHOVJK-PHDIDXHHSA-N 0 0 216.235 2.228 10 0 BEAERN CC1([C@@H]2CCNc3nc(C(F)F)nn32)CC1 ZINC000312890578 541469023 /nfs/dbraw/zinc/46/90/23/541469023.db2.gz KOSBAMQETKPGNA-LURJTMIESA-N 0 0 228.246 2.373 10 0 BEAERN Cc1cc2n(n1)C[C@@H](c1ccccc1)CN2 ZINC000229308210 541495856 /nfs/dbraw/zinc/49/58/56/541495856.db2.gz NHXHBFYZKPOLAH-LBPRGKRZSA-N 0 0 213.284 2.401 10 0 BEAERN CC(C)c1nc2n(n1)[C@@H](C(C)C)CCN2 ZINC000232743053 541506867 /nfs/dbraw/zinc/50/68/67/541506867.db2.gz ZVIHONDKBXXSCK-SECBINFHSA-N 0 0 208.309 2.414 10 0 BEAERN CCOC(=O)c1noc(-c2cc(C)cs2)n1 ZINC000141892356 541503465 /nfs/dbraw/zinc/50/34/65/541503465.db2.gz GRACXCIGJKWBCP-UHFFFAOYSA-N 0 0 238.268 2.283 10 0 BEAERN CC(C)[C@@H]1CCNc2c3cccnc3nn21 ZINC000232691259 541504597 /nfs/dbraw/zinc/50/45/97/541504597.db2.gz VVLLSBKRVWIFSX-JTQLQIEISA-N 0 0 216.288 2.444 10 0 BEAERN COC(=O)c1coc2c1cc(F)cc2F ZINC000685952092 541497395 /nfs/dbraw/zinc/49/73/95/541497395.db2.gz UEFWYUMUBXWWAU-UHFFFAOYSA-N 0 0 212.151 2.498 10 0 BEAERN COC(=O)[C@H]1Cc2c(ccc(Cl)c2Cl)O1 ZINC000685952072 541497502 /nfs/dbraw/zinc/49/75/02/541497502.db2.gz SKUVZFJLBZCMCH-MRVPVSSYSA-N 0 0 247.077 2.470 10 0 BEAERN CCc1nc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000234231811 541511677 /nfs/dbraw/zinc/51/16/77/541511677.db2.gz HHRTWMGVGAKZFM-RITPCOANSA-N 0 0 234.225 2.148 10 0 BEAERN CC[C@@H]1[C@@H](C)CNc2nc(C(F)(F)F)nn21 ZINC000233929087 541509461 /nfs/dbraw/zinc/50/94/61/541509461.db2.gz FEVYIFQCCOMPDP-NTSWFWBYSA-N 0 0 234.225 2.310 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000183051180 366970504 /nfs/dbraw/zinc/97/05/04/366970504.db2.gz IDZDCYZHUHOOIG-GXSJLCMTSA-N 0 0 235.283 2.207 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)CC(C)(C)C ZINC000384788743 541515361 /nfs/dbraw/zinc/51/53/61/541515361.db2.gz QWUJNORERFXIKD-ZJUUUORDSA-N 0 0 220.696 2.320 10 0 BEAERN CC[C@@H](C)[C@@H](CNC(=O)OC(C)C)OC ZINC000381191404 367361670 /nfs/dbraw/zinc/36/16/70/367361670.db2.gz KOWIAWWXQINWKP-NXEZZACHSA-N 0 0 217.309 2.182 10 0 BEAERN COC(=O)[C@@H]1CCCCN1CC1CC(F)(F)C1 ZINC000383179380 367603526 /nfs/dbraw/zinc/60/35/26/367603526.db2.gz UPEPESURDJNUBX-JTQLQIEISA-N 0 0 247.285 2.059 10 0 BEAERN COc1ccc(C[C@H](N)C(F)(F)F)cc1OC ZINC000075764417 367955574 /nfs/dbraw/zinc/95/55/74/367955574.db2.gz YTMKCDFDXDXMAT-JTQLQIEISA-N 0 0 249.232 2.136 10 0 BEAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[C@@H](O)C(C)(C)C ZINC000252901762 368164692 /nfs/dbraw/zinc/16/46/92/368164692.db2.gz LNFKTTWUNFXRMN-RCZSTQMZSA-N 0 0 200.322 2.453 10 0 BEAERN Cc1csc(C[C@@H](O)[C@@H]2CCSC2)n1 ZINC000161379485 368139286 /nfs/dbraw/zinc/13/92/86/368139286.db2.gz MWQANHOPLNSYMR-RKDXNWHRSA-N 0 0 229.370 2.108 10 0 BEAERN C[C@H]1Oc2c(ccc(Cl)c2F)[C@@H]1O ZINC000130738606 368139355 /nfs/dbraw/zinc/13/93/55/368139355.db2.gz GZDAFVMCUVCBHP-SPGJFGJESA-N 0 0 202.612 2.293 10 0 BEAERN CCCCNc1nc(Cl)nc(NC2CC2)n1 ZINC000022053563 368320770 /nfs/dbraw/zinc/32/07/70/368320770.db2.gz YFGASWJWPJLFPJ-UHFFFAOYSA-N 0 0 241.726 2.311 10 0 BEAERN Clc1nccn2c(Cc3ccccc3)nnc12 ZINC000038418385 368276944 /nfs/dbraw/zinc/27/69/44/368276944.db2.gz ZPPACKFZYUGJBE-UHFFFAOYSA-N 0 0 244.685 2.369 10 0 BEAERN CSc1ncc(Cc2ccccc2)c(=O)[nH]1 ZINC000038293980 368324212 /nfs/dbraw/zinc/32/42/12/368324212.db2.gz YFSCDOVCYRSTTN-UHFFFAOYSA-N 0 0 232.308 2.495 10 0 BEAERN O[C@H]1CC=C(c2cc3cccnc3[nH]2)CC1 ZINC000230454475 368369293 /nfs/dbraw/zinc/36/92/93/368369293.db2.gz AGTHEHVVDVZQJN-NSHDSACASA-N 0 0 214.268 2.491 10 0 BEAERN C/C=C/C(=O)OCc1cccc(OC)c1 ZINC000057470613 368331995 /nfs/dbraw/zinc/33/19/95/368331995.db2.gz GWKPJOXKRGARSH-HWKANZROSA-N 0 0 206.241 2.315 10 0 BEAERN CNc1nccc(-c2c[nH]c3ncccc23)n1 ZINC000043172903 368332380 /nfs/dbraw/zinc/33/23/80/368332380.db2.gz ONMDZSWJURSBIN-UHFFFAOYSA-N 0 0 225.255 2.062 10 0 BEAERN COC(=O)CCC[C@@H]1c2ccccc2NC1=O ZINC000101234564 368338883 /nfs/dbraw/zinc/33/88/83/368338883.db2.gz VRZWEKLYJMOHQJ-SNVBAGLBSA-N 0 0 233.267 2.066 10 0 BEAERN C=CCc1cc(C=O)c(C(=O)OC)c(OC)c1 ZINC000113485262 368341213 /nfs/dbraw/zinc/34/12/13/368341213.db2.gz QIFYTIOZFACVKM-UHFFFAOYSA-N 0 0 234.251 2.023 10 0 BEAERN COC(=O)c1cccc2c(Cl)nc(C)nc12 ZINC000114030939 368342249 /nfs/dbraw/zinc/34/22/49/368342249.db2.gz MKEGYEKMVJKXFQ-UHFFFAOYSA-N 0 0 236.658 2.378 10 0 BEAERN c1nc2ncccn2c1-c1c[nH]c2ncccc12 ZINC000202828972 368354888 /nfs/dbraw/zinc/35/48/88/368354888.db2.gz ICKWIKKVHNTGEL-UHFFFAOYSA-N 0 0 235.250 2.273 10 0 BEAERN COC(=O)Cc1cc(F)c(C#N)cc1Cl ZINC000223398233 368364145 /nfs/dbraw/zinc/36/41/45/368364145.db2.gz QMUKYDFVUQEZBC-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOc1ccc(Br)c(OC)n1 ZINC000223824425 368364391 /nfs/dbraw/zinc/36/43/91/368364391.db2.gz DEJQYQGGFIMARI-UHFFFAOYSA-N 0 0 232.077 2.251 10 0 BEAERN COCCOCc1cc(Cl)ccc1C=O ZINC000224165384 368366048 /nfs/dbraw/zinc/36/60/48/368366048.db2.gz YHQHGSZNXZBSMR-UHFFFAOYSA-N 0 0 228.675 2.316 10 0 BEAERN COC(=O)c1cc(O)cc(OC(F)(F)F)c1 ZINC000224203293 368366095 /nfs/dbraw/zinc/36/60/95/368366095.db2.gz BEGUQQVGYREBJN-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN Cc1ccnc(NC(=O)C(C)(C)C)c1C=O ZINC000196817169 368396038 /nfs/dbraw/zinc/39/60/38/368396038.db2.gz JBNWWTXYDQRUQV-UHFFFAOYSA-N 0 0 220.272 2.187 10 0 BEAERN Cc1nc2c([nH]1)c(=O)sc1ccccc21 ZINC000000236922 368520766 /nfs/dbraw/zinc/52/07/66/368520766.db2.gz FMURVONIQINTKQ-UHFFFAOYSA-N 0 0 216.265 2.446 10 0 BEAERN CCOC(=O)[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000002547666 368845795 /nfs/dbraw/zinc/84/57/95/368845795.db2.gz INJQUJBVLGASEQ-LBPRGKRZSA-N 0 0 242.702 2.197 10 0 BEAERN CC(C)(C)OC(=O)N[C@@]1(C)CC1(F)F ZINC000584880375 368858138 /nfs/dbraw/zinc/85/81/38/368858138.db2.gz JDBGQMPHAGWUOO-QMMMGPOBSA-N 0 0 207.220 2.309 10 0 BEAERN CCc1cc(C(=O)N[C@H](C)C(C)(C)C)[nH]n1 ZINC000112308217 368870033 /nfs/dbraw/zinc/87/00/33/368870033.db2.gz KDTUWOZCJKUSGD-MRVPVSSYSA-N 0 0 223.320 2.137 10 0 BEAERN C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)C(C)(C)C ZINC000112462111 368872592 /nfs/dbraw/zinc/87/25/92/368872592.db2.gz NFONPKVYOBGENF-GHMZBOCLSA-N 0 0 242.363 2.241 10 0 BEAERN CCCNc1nccc(-c2ccccn2)n1 ZINC000087203660 368890131 /nfs/dbraw/zinc/89/01/31/368890131.db2.gz WOQABOOZLNJOIX-UHFFFAOYSA-N 0 0 214.272 2.361 10 0 BEAERN Cn1ccc(C(F)(F)C(F)(F)F)n1 ZINC000118705944 368973568 /nfs/dbraw/zinc/97/35/68/368973568.db2.gz AYNSOAIZGKMMHU-UHFFFAOYSA-N 0 0 200.110 2.074 10 0 BEAERN COC(=O)c1nccc(N[C@H](C)C(C)(C)C)n1 ZINC000122957406 368977516 /nfs/dbraw/zinc/97/75/16/368977516.db2.gz DGEXPOFRLSLSHD-MRVPVSSYSA-N 0 0 237.303 2.110 10 0 BEAERN CC(=O)c1cc2cc(F)ccc2oc1=O ZINC000004483700 368937315 /nfs/dbraw/zinc/93/73/15/368937315.db2.gz KGTAJIRUMQFCMD-UHFFFAOYSA-N 0 0 206.172 2.135 10 0 BEAERN CN1CC[C@H](c2ncc[nH]2)c2ccccc21 ZINC000114549225 368943531 /nfs/dbraw/zinc/94/35/31/368943531.db2.gz LEVUENQXPLELPH-NSHDSACASA-N 0 0 213.284 2.382 10 0 BEAERN CCn1nccc1-c1csc(C(=O)OC)c1 ZINC000116446054 368949365 /nfs/dbraw/zinc/94/93/65/368949365.db2.gz YSFBNWCZTKBHOX-UHFFFAOYSA-N 0 0 236.296 2.418 10 0 BEAERN Nc1cc(O[C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000115697067 369005458 /nfs/dbraw/zinc/00/54/58/369005458.db2.gz ULQOYGJXCQYJAU-SECBINFHSA-N 0 0 247.216 2.455 10 0 BEAERN O[C@@H]1C=C(COCc2ccccc2)CC1 ZINC000005765686 369030527 /nfs/dbraw/zinc/03/05/27/369030527.db2.gz XBFCYLMBPFWJAF-ZDUSSCGKSA-N 0 0 204.269 2.284 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1cccc(C)c1 ZINC000115354480 368990075 /nfs/dbraw/zinc/99/00/75/368990075.db2.gz ZWBNBQSNPSXVPE-GFCCVEGCSA-N 0 0 245.278 2.271 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1cccc(F)c1 ZINC000115354610 368990411 /nfs/dbraw/zinc/99/04/11/368990411.db2.gz PFGOEOOUOBGOBD-SNVBAGLBSA-N 0 0 249.241 2.101 10 0 BEAERN CC(C)Oc1cc(-n2ccnc2)ccc1NC=O ZINC000616220660 369064059 /nfs/dbraw/zinc/06/40/59/369064059.db2.gz KFWWJOMEAQTLHC-UHFFFAOYSA-N 0 0 245.282 2.228 10 0 BEAERN CSCc1nc(C)c([C@H](C)O)s1 ZINC000054497088 369074222 /nfs/dbraw/zinc/07/42/22/369074222.db2.gz XXEIDEIIRYREJC-LURJTMIESA-N 0 0 203.332 2.368 10 0 BEAERN Cc1nc([C@H](N)c2nccs2)sc1C ZINC000161499988 369121083 /nfs/dbraw/zinc/12/10/83/369121083.db2.gz ZAPNJDZMQNARIJ-SSDOTTSWSA-N 0 0 225.342 2.265 10 0 BEAERN C[C@H](C(=O)N1CCC[C@@H]1CCCO)C1CCC1 ZINC000457671421 203089151 /nfs/dbraw/zinc/08/91/51/203089151.db2.gz ODLIKAHOMUVMHD-WCQYABFASA-N 0 0 239.359 2.186 10 0 BEAERN CC(=O)N1C[C@H](c2ncco2)Nc2ccccc21 ZINC000616691605 369113797 /nfs/dbraw/zinc/11/37/97/369113797.db2.gz NTXGWHISOJHDFY-LLVKDONJSA-N 0 0 243.266 2.194 10 0 BEAERN CSC[C@H](O)c1cc(F)ccc1F ZINC000055243078 369157818 /nfs/dbraw/zinc/15/78/18/369157818.db2.gz ZLEOXVIDIUTADB-VIFPVBQESA-N 0 0 204.241 2.361 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccsc2)O1 ZINC000155273534 326190762 /nfs/dbraw/zinc/19/07/62/326190762.db2.gz YAPYSMUFIOPRDF-APPZFPTMSA-N 0 0 211.286 2.254 10 0 BEAERN CSCC(=O)N1CCC(OCC(C)C)CC1 ZINC000055909470 369345568 /nfs/dbraw/zinc/34/55/68/369345568.db2.gz XUGFPCQUJRRMLY-UHFFFAOYSA-N 0 0 245.388 2.013 10 0 BEAERN CCN(CC)C(=O)N(C)Cc1ccc(C)o1 ZINC000108641643 369400363 /nfs/dbraw/zinc/40/03/63/369400363.db2.gz PQRWJPIIGSXQJS-UHFFFAOYSA-N 0 0 224.304 2.482 10 0 BEAERN COC(=O)[C@H](NC1(C2CCC2)CCC1)C1CC1 ZINC000459751315 203356712 /nfs/dbraw/zinc/35/67/12/203356712.db2.gz ANJDABSREOGDCO-GFCCVEGCSA-N 0 0 237.343 2.250 10 0 BEAERN COC(=O)[C@@H](NC1(C2CCC2)CCC1)C1CC1 ZINC000459751318 203357344 /nfs/dbraw/zinc/35/73/44/203357344.db2.gz ANJDABSREOGDCO-LBPRGKRZSA-N 0 0 237.343 2.250 10 0 BEAERN COC(=O)c1c(OC)ccc2nc(C)c(C)nc21 ZINC000204858998 369657170 /nfs/dbraw/zinc/65/71/70/369657170.db2.gz OAXUNLRWCFYHHW-UHFFFAOYSA-N 0 0 246.266 2.042 10 0 BEAERN Nc1n[nH]c2ccc(Cl)c(Cl)c12 ZINC000205139405 369791488 /nfs/dbraw/zinc/79/14/88/369791488.db2.gz IFQALDIMKZKWQG-UHFFFAOYSA-N 0 0 202.044 2.452 10 0 BEAERN CCCC[C@@H](CC)C(=O)NC1CC(CO)C1 ZINC000620887235 370042798 /nfs/dbraw/zinc/04/27/98/370042798.db2.gz SMRUQNZEPYROMI-MOENNCHZSA-N 0 0 227.348 2.090 10 0 BEAERN O=C1OCCc2cccc(Br)c21 ZINC000238067442 259542786 /nfs/dbraw/zinc/54/27/86/259542786.db2.gz OEYUYYAUBKCGML-UHFFFAOYSA-N 0 0 227.057 2.162 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cn1ccc2ccccc21 ZINC000075508737 370140505 /nfs/dbraw/zinc/14/05/05/370140505.db2.gz YANAZDIREZPGIX-PWSUYJOCSA-N 0 0 228.295 2.166 10 0 BEAERN Brc1cncc(-c2cn[nH]c2)c1 ZINC000113564410 370428337 /nfs/dbraw/zinc/42/83/37/370428337.db2.gz MCHCVCLYFKGCEE-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN C[C@@H](NC(N)=O)c1ccc(F)cc1Cl ZINC000077535868 370429139 /nfs/dbraw/zinc/42/91/39/370429139.db2.gz NZLHBVNFRHHWOM-RXMQYKEDSA-N 0 0 216.643 2.208 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)cc1C ZINC000077102512 370394830 /nfs/dbraw/zinc/39/48/30/370394830.db2.gz HRXMZQQYEKVSGI-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN CCc1cc(NC[C@@H]2CCCC[C@@H]2O)ncn1 ZINC000077208386 370399499 /nfs/dbraw/zinc/39/94/99/370399499.db2.gz OTRAHNYFALYSBI-JQWIXIFHSA-N 0 0 235.331 2.002 10 0 BEAERN O[C@H](c1nccs1)c1cccc(F)c1 ZINC000161564377 370411409 /nfs/dbraw/zinc/41/14/09/370411409.db2.gz HHSQKKAFLSUUIG-VIFPVBQESA-N 0 0 209.245 2.364 10 0 BEAERN CC1=[N+]([O-])C2(CCCC2)[N+](O)=C1c1ccccc1 ZINC000225412293 370579301 /nfs/dbraw/zinc/57/93/01/370579301.db2.gz JEMHQWLFKSNTEO-UHFFFAOYSA-N 0 0 246.310 2.024 10 0 BEAERN NCc1nnc(CCC2CCCCC2)o1 ZINC000050283489 181505721 /nfs/dbraw/zinc/50/57/21/181505721.db2.gz VZLACGXIGRPYKS-UHFFFAOYSA-N 0 0 209.293 2.041 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000079122177 370625219 /nfs/dbraw/zinc/62/52/19/370625219.db2.gz LTMHTAOUVXDZNJ-UWVGGRQHSA-N 0 0 212.337 2.471 10 0 BEAERN COC[C@@H](C)Oc1cncc(Br)c1 ZINC000070043593 371005210 /nfs/dbraw/zinc/00/52/10/371005210.db2.gz LYKMZSDWZIEGKK-SSDOTTSWSA-N 0 0 246.104 2.258 10 0 BEAERN NN=c1[nH]c2cc(Cl)c(Cl)cc2o1 ZINC000062526723 181520158 /nfs/dbraw/zinc/52/01/58/181520158.db2.gz GOZVGKISMMDMES-UHFFFAOYSA-N 0 0 218.043 2.420 10 0 BEAERN [NH3+][C@@H](CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000020217227 181542440 /nfs/dbraw/zinc/54/24/40/181542440.db2.gz OQYBIFKDDQSXPH-ZDUSSCGKSA-N 0 0 233.311 2.430 10 0 BEAERN [NH3+][C@H](CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000002586219 181612486 /nfs/dbraw/zinc/61/24/86/181612486.db2.gz HRVRMAVSOHOUST-MRVPVSSYSA-N 0 0 249.188 2.060 10 0 BEAERN [NH3+][C@H]1CC=C([P@@](=O)([O-])Cc2ccccc2)C1 ZINC000045498538 181639203 /nfs/dbraw/zinc/63/92/03/181639203.db2.gz WOAYWNXXVWYVCK-NSHDSACASA-N 0 0 237.239 2.462 10 0 BEAERN Nc1cc(OC2CC2)cnc1C(F)(F)F ZINC000095737210 181690070 /nfs/dbraw/zinc/69/00/70/181690070.db2.gz AMFGMZXHIXSMEP-UHFFFAOYSA-N 0 0 218.178 2.224 10 0 BEAERN Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1 ZINC000019477307 181674326 /nfs/dbraw/zinc/67/43/26/181674326.db2.gz OMUVTNJYCCFYFI-UHFFFAOYSA-N 0 0 225.198 2.260 10 0 BEAERN Nc1cc(-c2nnc3ccccn32)c(F)cc1F ZINC000037605113 181675184 /nfs/dbraw/zinc/67/51/84/181675184.db2.gz ULGPZCZFORZTNN-UHFFFAOYSA-N 0 0 246.220 2.257 10 0 BEAERN Nc1cc(-c2cccnc2)cc(Cl)n1 ZINC000074188091 181675227 /nfs/dbraw/zinc/67/52/27/181675227.db2.gz PQKLKRLKDQULJL-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cc(Cl)cnc1-c1ccncc1 ZINC000047212338 181684904 /nfs/dbraw/zinc/68/49/04/181684904.db2.gz NVPVTBCUVSNVRH-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cc(F)c(NC[C@H]2CCCO2)c(F)c1 ZINC000038039928 181685794 /nfs/dbraw/zinc/68/57/94/181685794.db2.gz ZEAYMQZZETVMJT-MRVPVSSYSA-N 0 0 228.242 2.138 10 0 BEAERN Nc1cc(F)ccc1NCc1nccs1 ZINC000041012108 181687729 /nfs/dbraw/zinc/68/77/29/181687729.db2.gz ZUZVUHLOPHSFIS-UHFFFAOYSA-N 0 0 223.276 2.477 10 0 BEAERN Nc1cc(NC(=O)c2ccco2)c(F)cc1F ZINC000036738907 181689125 /nfs/dbraw/zinc/68/91/25/181689125.db2.gz IZDXHVLPBUDAHJ-UHFFFAOYSA-N 0 0 238.193 2.392 10 0 BEAERN Nc1c2oc(=O)[nH]c2c(Cl)cc1Cl ZINC000062527082 181667066 /nfs/dbraw/zinc/66/70/66/181667066.db2.gz RFEULYVBVBNXOW-UHFFFAOYSA-N 0 0 219.027 2.010 10 0 BEAERN Nc1ccc(C(=O)OC2CCCCC2)cc1O ZINC000036221958 181702861 /nfs/dbraw/zinc/70/28/61/181702861.db2.gz HTARCZJZCSECCS-UHFFFAOYSA-N 0 0 235.283 2.464 10 0 BEAERN Nc1cccc(OCCn2cccc2)c1 ZINC000038080138 181747519 /nfs/dbraw/zinc/74/75/19/181747519.db2.gz WHPYEYDXROFLRR-UHFFFAOYSA-N 0 0 202.257 2.149 10 0 BEAERN Nc1cccc(CCC(=O)Nc2ccccn2)c1 ZINC000020187227 181742656 /nfs/dbraw/zinc/74/26/56/181742656.db2.gz WMZOKGQVIOCZHN-UHFFFAOYSA-N 0 0 241.294 2.235 10 0 BEAERN Nc1cccc(Nc2ccc(Cl)nn2)c1 ZINC000019431708 181746054 /nfs/dbraw/zinc/74/60/54/181746054.db2.gz OSUJLZQBFJJZTG-UHFFFAOYSA-N 0 0 220.663 2.456 10 0 BEAERN Nc1cccc(NCCc2ccncc2)c1 ZINC000048261067 181746348 /nfs/dbraw/zinc/74/63/48/181746348.db2.gz IGZAHCXRUIHFBP-UHFFFAOYSA-N 0 0 213.284 2.318 10 0 BEAERN CSCCCCNC(=O)c1ccoc1 ZINC000125959616 371457792 /nfs/dbraw/zinc/45/77/92/371457792.db2.gz KAESYSFDHZZWRR-UHFFFAOYSA-N 0 0 213.302 2.153 10 0 BEAERN Nc1ccc(OC[C@H]2CCCCO2)cc1F ZINC000043472559 181722574 /nfs/dbraw/zinc/72/25/74/181722574.db2.gz WCJRRVWJJWZWJU-SNVBAGLBSA-N 0 0 225.263 2.356 10 0 BEAERN Nc1ccc(S[C@@H]2CCCC[C@@H]2O)nc1 ZINC000037691874 181725638 /nfs/dbraw/zinc/72/56/38/181725638.db2.gz VRCNGMBDGMZQFZ-VHSXEESVSA-N 0 0 224.329 2.059 10 0 BEAERN Nc1ccsc1C(=O)OC[C@H]1CCCCO1 ZINC000041046726 181766539 /nfs/dbraw/zinc/76/65/39/181766539.db2.gz OQCDLRNVPAPRIM-MRVPVSSYSA-N 0 0 241.312 2.056 10 0 BEAERN Nc1cnc(Sc2cccs2)nc1 ZINC000040456238 181768919 /nfs/dbraw/zinc/76/89/19/181768919.db2.gz HQNVUGDJGYFCHD-UHFFFAOYSA-N 0 0 209.299 2.272 10 0 BEAERN Nc1cnn(-c2ccccc2Br)c1 ZINC000035779136 181770896 /nfs/dbraw/zinc/77/08/96/181770896.db2.gz OGYVEUYKTGXLMP-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN CON[C@H]1CCOc2c(Cl)cccc21 ZINC000131273912 371580009 /nfs/dbraw/zinc/58/00/09/371580009.db2.gz MUYYRWYDCJVRAL-VIFPVBQESA-N 0 0 213.664 2.315 10 0 BEAERN Nc1nc(-c2cccc(C(F)(F)F)n2)ns1 ZINC000067173743 181776906 /nfs/dbraw/zinc/77/69/06/181776906.db2.gz RYTUKJCXVSNWBT-UHFFFAOYSA-N 0 0 246.217 2.201 10 0 BEAERN CON[C@H]1COc2c1cccc2Br ZINC000131366903 371596210 /nfs/dbraw/zinc/59/62/10/371596210.db2.gz YCSKQAMHULTJKT-QMMMGPOBSA-N 0 0 244.088 2.034 10 0 BEAERN Clc1cncc2nnc([C@@H]3CCCS3)n21 ZINC000162098032 371609953 /nfs/dbraw/zinc/60/99/53/371609953.db2.gz JHMIBTXGCZAIRJ-LURJTMIESA-N 0 0 240.719 2.346 10 0 BEAERN Cc1cc(Cl)cc([C@@H]([NH3+])CC(=O)[O-])c1 ZINC000215697243 371613666 /nfs/dbraw/zinc/61/36/66/371613666.db2.gz IKVJGFRWEZLVMW-VIFPVBQESA-N 0 0 213.664 2.123 10 0 BEAERN Cc1cc(Cl)ccc1[C@@H]([NH3+])CC(=O)[O-] ZINC000215697359 371613821 /nfs/dbraw/zinc/61/38/21/371613821.db2.gz ZDSNXAJSXLCFLF-VIFPVBQESA-N 0 0 213.664 2.123 10 0 BEAERN COc1ccc(C)cc1C(F)(F)CN ZINC000131741908 371664741 /nfs/dbraw/zinc/66/47/41/371664741.db2.gz BOIKNBOGDAIAJT-UHFFFAOYSA-N 0 0 201.216 2.054 10 0 BEAERN C/C=C\COc1ncc(Br)cn1 ZINC000215973936 371668876 /nfs/dbraw/zinc/66/88/76/371668876.db2.gz WMWNQXXTYRTQNY-IHWYPQMZSA-N 0 0 229.077 2.194 10 0 BEAERN O=C1CCSc2ncc(Cl)cc2N1 ZINC000162407435 371671120 /nfs/dbraw/zinc/67/11/20/371671120.db2.gz BVWSQXMESFEVQF-UHFFFAOYSA-N 0 0 214.677 2.169 10 0 BEAERN CN[C@H](c1ccc(C)nc1)C(F)(F)F ZINC000162410692 371673320 /nfs/dbraw/zinc/67/33/20/371673320.db2.gz JLQKIISHXOAYJK-MRVPVSSYSA-N 0 0 204.195 2.213 10 0 BEAERN CC(=O)c1ccc(Sc2nnc(C)o2)o1 ZINC000131591723 371628773 /nfs/dbraw/zinc/62/87/73/371628773.db2.gz DLVGJHIQBFMSBG-UHFFFAOYSA-N 0 0 224.241 2.325 10 0 BEAERN O=C(Nc1cncc(Cl)n1)C1CC=CC1 ZINC000162217818 371630585 /nfs/dbraw/zinc/63/05/85/371630585.db2.gz KUSBQCJUGKWOLS-UHFFFAOYSA-N 0 0 223.663 2.035 10 0 BEAERN CC/C=C(/C)C(=O)Nc1cncc(Cl)n1 ZINC000162218938 371631324 /nfs/dbraw/zinc/63/13/24/371631324.db2.gz VBTLHSVYEQHGGI-DAXSKMNVSA-N 0 0 225.679 2.425 10 0 BEAERN C[C@H](CO)Sc1cc(F)cc(F)c1N ZINC000162337914 371660181 /nfs/dbraw/zinc/66/01/81/371660181.db2.gz CSCANBDEJXMKAF-RXMQYKEDSA-N 0 0 219.256 2.020 10 0 BEAERN C[C@H](O)c1cnc(N2CCC[C@@H]2C)s1 ZINC000226647853 371714711 /nfs/dbraw/zinc/71/47/11/371714711.db2.gz MGPIKTJTPCVZEN-YUMQZZPRSA-N 0 0 212.318 2.185 10 0 BEAERN CCOC(=O)N1C[C@@H](C)Nc2ccccc21 ZINC000216264184 371730030 /nfs/dbraw/zinc/73/00/30/371730030.db2.gz QWSURLOVJBGXIL-SECBINFHSA-N 0 0 220.272 2.464 10 0 BEAERN C[C@](O)(Cc1ccc(F)cc1)C(F)F ZINC000162616930 371730517 /nfs/dbraw/zinc/73/05/17/371730517.db2.gz RHZTZIBWYLBNQW-JTQLQIEISA-N 0 0 204.191 2.384 10 0 BEAERN Cc1nc(Br)cc(N2CCCC2)n1 ZINC000162617323 371730594 /nfs/dbraw/zinc/73/05/94/371730594.db2.gz FSRJZYMTSADIQQ-UHFFFAOYSA-N 0 0 242.120 2.148 10 0 BEAERN Cc1ncc(CNc2ncc(N)s2)s1 ZINC000226732116 371732182 /nfs/dbraw/zinc/73/21/82/371732182.db2.gz YEOWYOOMWYDMNF-UHFFFAOYSA-N 0 0 226.330 2.102 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)N1CCCCCC1 ZINC000132030637 371744789 /nfs/dbraw/zinc/74/47/89/371744789.db2.gz QASZTLURSBASAM-LBPRGKRZSA-N 0 0 240.347 2.141 10 0 BEAERN CC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000227006707 371766464 /nfs/dbraw/zinc/76/64/64/371766464.db2.gz QGHBLFVVNOKYTK-KCJUWKMLSA-N 0 0 207.248 2.354 10 0 BEAERN CC[C@H]1Oc2c(Cl)ncnc2N[C@H]1C ZINC000132208089 371766657 /nfs/dbraw/zinc/76/66/57/371766657.db2.gz XFMHLMAXWMJJBE-NTSWFWBYSA-N 0 0 213.668 2.101 10 0 BEAERN C[C@H](CO)S[C@@H](C)C(=O)c1ccccc1 ZINC000162670602 371742683 /nfs/dbraw/zinc/74/26/83/371742683.db2.gz LXGNPAMIWNOHHE-ZJUUUORDSA-N 0 0 224.325 2.372 10 0 BEAERN COc1c(F)c(Br)ccc1CO ZINC000216890277 371831731 /nfs/dbraw/zinc/83/17/31/371831731.db2.gz OQOVLIGBXGULTQ-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1cn(-c2cccc(Cl)c2)c(=O)[nH]1 ZINC000162731123 371832482 /nfs/dbraw/zinc/83/24/82/371832482.db2.gz WDCWHZSFNQHRDQ-UHFFFAOYSA-N 0 0 208.648 2.127 10 0 BEAERN CC(C)[C@H](O)[C@H]1CCO[C@H](C(C)C)C1 ZINC000227252977 371817078 /nfs/dbraw/zinc/81/70/78/371817078.db2.gz DTAZMFMRLBFDIR-SRVKXCTJSA-N 0 0 200.322 2.455 10 0 BEAERN Cc1ccc2nc(N)n(Cc3ccccc3)c2n1 ZINC000162711931 371826991 /nfs/dbraw/zinc/82/69/91/371826991.db2.gz VZRSTXBYUFOFNA-UHFFFAOYSA-N 0 0 238.294 2.370 10 0 BEAERN Cc1nc(C[C@H]([NH3+])c2ccco2)cs1 ZINC000057495421 371850959 /nfs/dbraw/zinc/85/09/59/371850959.db2.gz QZGVZOZYERRKSW-VIFPVBQESA-N 0 0 208.286 2.287 10 0 BEAERN C[C@@H]1OCC[C@@H]1c1nc(Cl)ns1 ZINC000230113494 371854048 /nfs/dbraw/zinc/85/40/48/371854048.db2.gz WJXOFMVJMIXTKA-WHFBIAKZSA-N 0 0 204.682 2.084 10 0 BEAERN CC(C)(Br)C(=O)N1CCC(C)(C)C1 ZINC000162826546 371862807 /nfs/dbraw/zinc/86/28/07/371862807.db2.gz XJSFXFPTDADDMC-UHFFFAOYSA-N 0 0 248.164 2.418 10 0 BEAERN Cc1nn(C)cc1NC/C(Cl)=C/Cl ZINC000227487952 371872936 /nfs/dbraw/zinc/87/29/36/371872936.db2.gz YFXWRXOWZMAWQI-CLTKARDFSA-N 0 0 220.103 2.459 10 0 BEAERN O=C(Nc1ccccc1)[C@@H]1CCCCC1=O ZINC000003108052 371875694 /nfs/dbraw/zinc/87/56/94/371875694.db2.gz BPYPYRDPROZQAI-LLVKDONJSA-N 0 0 217.268 2.384 10 0 BEAERN Cc1ncc(COc2cccnc2)s1 ZINC000163017285 371911124 /nfs/dbraw/zinc/91/11/24/371911124.db2.gz JARYMXHBXJTBKV-UHFFFAOYSA-N 0 0 206.270 2.426 10 0 BEAERN Fc1cc(Sc2ccncn2)ccn1 ZINC000227647261 371913815 /nfs/dbraw/zinc/91/38/15/371913815.db2.gz JRLOLHFLXJNXOH-UHFFFAOYSA-N 0 0 207.233 2.162 10 0 BEAERN COc1cccc(C(=O)NC[C@@H](C)C2CC2)c1O ZINC000132751296 371914039 /nfs/dbraw/zinc/91/40/39/371914039.db2.gz GDBJRVDXUXHGSJ-SECBINFHSA-N 0 0 249.310 2.177 10 0 BEAERN Cc1nnsc1[C@H](O)c1ccsc1C ZINC000227921272 371958759 /nfs/dbraw/zinc/95/87/59/371958759.db2.gz KPGUNXKWWOGDRL-MRVPVSSYSA-N 0 0 226.326 2.298 10 0 BEAERN Cc1cncc([C@]2(O)CS[C@@H](C)C2)c1 ZINC000227945981 371962681 /nfs/dbraw/zinc/96/26/81/371962681.db2.gz YCRSVSBORHRJOR-GXSJLCMTSA-N 0 0 209.314 2.103 10 0 BEAERN C[C@@]1([C@@H](NN)c2ccoc2)CCCS1 ZINC000132996134 371965839 /nfs/dbraw/zinc/96/58/39/371965839.db2.gz DPQDIMLIEKXJCK-UWVGGRQHSA-N 0 0 212.318 2.070 10 0 BEAERN CCCc1nc2cc(C)ccn2c1C=O ZINC000228026935 371979401 /nfs/dbraw/zinc/97/94/01/371979401.db2.gz RIFJZAUOMZQFTE-UHFFFAOYSA-N 0 0 202.257 2.408 10 0 BEAERN CC[C@@H]1SCCS[C@@H]1c1nsc(N)n1 ZINC000228072135 371985880 /nfs/dbraw/zinc/98/58/80/371985880.db2.gz RZQKGRWQBUBUPP-WDSKDSINSA-N 0 0 247.414 2.420 10 0 BEAERN CC(C)C(=O)[C@@H]1SCCS[C@@H]1C ZINC000228077539 371986117 /nfs/dbraw/zinc/98/61/17/371986117.db2.gz FAKZUCHRMPFEAE-VXNVDRBHSA-N 0 0 204.360 2.449 10 0 BEAERN CC[C@@H]1SCCS[C@H]1c1nsc(N)n1 ZINC000228072153 371986203 /nfs/dbraw/zinc/98/62/03/371986203.db2.gz RZQKGRWQBUBUPP-NTSWFWBYSA-N 0 0 247.414 2.420 10 0 BEAERN COc1ccc(Br)c(C(C)=O)c1O ZINC000217652926 371993108 /nfs/dbraw/zinc/99/31/08/371993108.db2.gz IDGFWXWFYGIGTD-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CCN1C(=S)N=NC1[C@H]1CCCS1 ZINC000228198018 372003078 /nfs/dbraw/zinc/00/30/78/372003078.db2.gz JHOBJLSHFNFQQH-ZCFIWIBFSA-N 0 0 215.347 2.155 10 0 BEAERN Clc1cc(SC2COC2)nc(Cl)n1 ZINC000306165844 371995705 /nfs/dbraw/zinc/99/57/05/371995705.db2.gz PHOPVBWILRDAPI-UHFFFAOYSA-N 0 0 237.111 2.274 10 0 BEAERN CCNC(=[NH2+])c1cc(Br)ccc1[O-] ZINC000306216580 371999622 /nfs/dbraw/zinc/99/96/22/371999622.db2.gz POTXQWJEZLHFPA-UHFFFAOYSA-N 0 0 243.104 2.090 10 0 BEAERN CCN(Cc1ccccc1)c1nc(CO)co1 ZINC000228329978 372016791 /nfs/dbraw/zinc/01/67/91/372016791.db2.gz FUKIBWXWEXCKMJ-UHFFFAOYSA-N 0 0 232.283 2.193 10 0 BEAERN CC(C)(C)[C@H](O)c1ncncc1Br ZINC000306441918 372020112 /nfs/dbraw/zinc/02/01/12/372020112.db2.gz VKZKKKPDSAZZAX-MRVPVSSYSA-N 0 0 245.120 2.319 10 0 BEAERN Cc1c(Cl)ccc2c1N(C)CC(=O)N2 ZINC000306553373 372036012 /nfs/dbraw/zinc/03/60/12/372036012.db2.gz BFXALVMXYCMQOY-UHFFFAOYSA-N 0 0 210.664 2.037 10 0 BEAERN CCC1N=NC(=S)N1[C@@H]1C[C@]1(C)CC ZINC000306592535 372041239 /nfs/dbraw/zinc/04/12/39/372041239.db2.gz ZPFFWKNLPNLEOB-XCBNKYQSSA-N 0 0 211.334 2.490 10 0 BEAERN C[C@@H]1CN(c2csc(C=O)c2)[C@@H](C)CO1 ZINC000228564909 372049276 /nfs/dbraw/zinc/04/92/76/372049276.db2.gz QJCYYJXCLYFBTJ-DTWKUNHWSA-N 0 0 225.313 2.174 10 0 BEAERN CCCN1C(=S)N=NC1[C@@H]1CCSC1 ZINC000228201364 372003987 /nfs/dbraw/zinc/00/39/87/372003987.db2.gz GWAVLKCSXQMATQ-SSDOTTSWSA-N 0 0 229.374 2.197 10 0 BEAERN CCCCC(=O)Nc1cnc(Cl)cn1 ZINC000231209409 372004661 /nfs/dbraw/zinc/00/46/61/372004661.db2.gz OYQJGNGJHOZBEG-UHFFFAOYSA-N 0 0 213.668 2.259 10 0 BEAERN CC(C)(C)NCC(F)(F)Br ZINC000306301492 372009634 /nfs/dbraw/zinc/00/96/34/372009634.db2.gz WMLSEAYYAVXOJD-UHFFFAOYSA-N 0 0 216.069 2.362 10 0 BEAERN Cn1cc(-c2ccc(N)cc2Cl)cn1 ZINC000232181597 372112786 /nfs/dbraw/zinc/11/27/86/372112786.db2.gz KHRIISIBEQEEMH-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CC[C@H]1C[C@H]1c1nnc(Br)o1 ZINC000307376369 372116681 /nfs/dbraw/zinc/11/66/81/372116681.db2.gz BRKFVFNENGAQPS-CRCLSJGQSA-N 0 0 217.066 2.346 10 0 BEAERN O=C(c1cnsc1)C1CC(F)(F)C1 ZINC000404805125 372117031 /nfs/dbraw/zinc/11/70/31/372117031.db2.gz RKHMGADTKOABTO-UHFFFAOYSA-N 0 0 203.213 2.371 10 0 BEAERN C[C@@H](CO)Sc1ccc(Br)cn1 ZINC000133496249 372063005 /nfs/dbraw/zinc/06/30/05/372063005.db2.gz DEJNWLOGWXLWKA-LURJTMIESA-N 0 0 248.145 2.317 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(C)c1O ZINC000218150757 372068728 /nfs/dbraw/zinc/06/87/28/372068728.db2.gz KXDVSJXRHDZZNQ-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN O=C(C1CC=CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127732164 181865242 /nfs/dbraw/zinc/86/52/42/181865242.db2.gz OGOVPFZWDKSJAC-ZFWWWQNUSA-N 0 0 249.354 2.106 10 0 BEAERN COC(=O)c1cc(O)c(Br)cc1F ZINC000306948975 372080703 /nfs/dbraw/zinc/08/07/03/372080703.db2.gz AMHHBRMZDXMAEP-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN C[C@@H]1C[C@]1(O)c1ncccc1Br ZINC000231807120 372080889 /nfs/dbraw/zinc/08/08/89/372080889.db2.gz YBVABGXYXQMCNM-HZGVNTEJSA-N 0 0 228.089 2.072 10 0 BEAERN CC[S@@](=O)Nc1ccc(N)c(Cl)c1 ZINC000307105779 372086579 /nfs/dbraw/zinc/08/65/79/372086579.db2.gz DJCBQGXGUAEALU-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN C[C@@H]1C[C@H](NC2N=NC(=S)S2)[C@@H]1C ZINC000307103804 372086868 /nfs/dbraw/zinc/08/68/68/372086868.db2.gz BWHOWAUBXCLBMK-PBXRRBTRSA-N 0 0 215.347 2.283 10 0 BEAERN C[C@@H]1Cc2[nH]c(=S)sc2[C@@H](C)O1 ZINC000133719798 372094195 /nfs/dbraw/zinc/09/41/95/372094195.db2.gz GCHXFGVZWXZIOO-RFZPGFLSSA-N 0 0 201.316 2.454 10 0 BEAERN C[C@@H]1C[C@@H](C)N1Cc1cc(Br)no1 ZINC000307622782 372133109 /nfs/dbraw/zinc/13/31/09/372133109.db2.gz HDAJTJTUKYQQHA-RNFRBKRXSA-N 0 0 245.120 2.420 10 0 BEAERN Cn1nc(-c2coc(Br)c2)cc1N ZINC000307640256 372134765 /nfs/dbraw/zinc/13/47/65/372134765.db2.gz GTMVHZLXPVJELM-UHFFFAOYSA-N 0 0 242.076 2.025 10 0 BEAERN C[N@H+](C1CCC1)C1(C(=O)[O-])CCCCC1 ZINC000307689269 372137252 /nfs/dbraw/zinc/13/72/52/372137252.db2.gz JUECOEOYQQMMAX-UHFFFAOYSA-N 0 0 211.305 2.258 10 0 BEAERN C[C@H]1CC[C@@H]1n1ncc(Br)c1N ZINC000307691947 372139598 /nfs/dbraw/zinc/13/95/98/372139598.db2.gz QQCJQJQEENSKRR-FSPLSTOPSA-N 0 0 230.109 2.199 10 0 BEAERN CNC(=O)Nc1cc(F)cc(Br)c1 ZINC000307708440 372140638 /nfs/dbraw/zinc/14/06/38/372140638.db2.gz IZWFTJRBSHETKO-UHFFFAOYSA-N 0 0 247.067 2.340 10 0 BEAERN Cc1ccc(Br)c2c1CC(=O)N2 ZINC000134216705 372180607 /nfs/dbraw/zinc/18/06/07/372180607.db2.gz MFEZPDMZRJWJQX-UHFFFAOYSA-N 0 0 226.073 2.252 10 0 BEAERN CC(C)Sc1nc(Cl)ncc1N ZINC000232679645 372153185 /nfs/dbraw/zinc/15/31/85/372153185.db2.gz RWNNALYEWPMEEJ-UHFFFAOYSA-N 0 0 203.698 2.213 10 0 BEAERN CC(C)[C@H](O)C(=O)c1cc(F)ccc1F ZINC000232757050 372157885 /nfs/dbraw/zinc/15/78/85/372157885.db2.gz UEDVPIIPGJDFGP-JTQLQIEISA-N 0 0 214.211 2.164 10 0 BEAERN Cc1cc(C(=O)[C@@H](O)C(C)C)ccc1F ZINC000232757667 372158383 /nfs/dbraw/zinc/15/83/83/372158383.db2.gz IGRKSELFZDUINB-NSHDSACASA-N 0 0 210.248 2.334 10 0 BEAERN Nc1cc(F)cc(F)c1NC(=O)C(F)(F)F ZINC000229559643 372165524 /nfs/dbraw/zinc/16/55/24/372165524.db2.gz ZYWPTNIQTCMVCR-UHFFFAOYSA-N 0 0 240.131 2.048 10 0 BEAERN Cc1cc2c(cc1N)N(C(=O)C(F)(F)F)CC2 ZINC000229559715 372165563 /nfs/dbraw/zinc/16/55/63/372165563.db2.gz ZAFQTDGAEPLALV-UHFFFAOYSA-N 0 0 244.216 2.029 10 0 BEAERN Cc1cscc1[C@H](NN)c1ccoc1 ZINC000229600651 372169875 /nfs/dbraw/zinc/16/98/75/372169875.db2.gz GMLVTMWWZBECCS-SNVBAGLBSA-N 0 0 208.286 2.202 10 0 BEAERN COCCc1cccc2c(Cl)ncnc12 ZINC000229617147 372173193 /nfs/dbraw/zinc/17/31/93/372173193.db2.gz YCLMURZEIYFUEL-UHFFFAOYSA-N 0 0 222.675 2.472 10 0 BEAERN CCc1ccc(C[C@H]2CCC(=O)N2)s1 ZINC000134319926 372196579 /nfs/dbraw/zinc/19/65/79/372196579.db2.gz HQVSPCSGSWUKJV-MRVPVSSYSA-N 0 0 209.314 2.132 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000171067748 372289766 /nfs/dbraw/zinc/28/97/66/372289766.db2.gz HGFRFFFRQHHEEE-JKMUOGBPSA-N 0 0 222.115 2.095 10 0 BEAERN CCCCS[C@H](C)C(=O)N[C@@H]1C[C@@H]1C ZINC000171046436 372274146 /nfs/dbraw/zinc/27/41/46/372274146.db2.gz PGJMDCSCLKJGTL-IVZWLZJFSA-N 0 0 215.362 2.433 10 0 BEAERN Cc1cccc(CSc2nnc(CN)o2)c1 ZINC000008039310 372281415 /nfs/dbraw/zinc/28/14/15/372281415.db2.gz XBGMOSLCKSTTBS-UHFFFAOYSA-N 0 0 235.312 2.129 10 0 BEAERN CCCc1nccnc1N1CCC[C@](O)(CC)C1 ZINC000631486018 372390026 /nfs/dbraw/zinc/39/00/26/372390026.db2.gz CPDVCJJLWAKLNF-CQSZACIVSA-N 0 0 249.358 2.170 10 0 BEAERN O=C(CCCc1cccs1)N1CCCO1 ZINC000125399884 181913729 /nfs/dbraw/zinc/91/37/29/181913729.db2.gz LSPWWCSLLYNQCO-UHFFFAOYSA-N 0 0 225.313 2.235 10 0 BEAERN C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1 ZINC000140073272 372432495 /nfs/dbraw/zinc/43/24/95/372432495.db2.gz PHJDOPRQVXKRQB-DTWKUNHWSA-N 0 0 215.293 2.079 10 0 BEAERN O=C(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000168544583 181923225 /nfs/dbraw/zinc/92/32/25/181923225.db2.gz HJVYYGDXIUORHP-STQMWFEESA-N 0 0 226.316 2.474 10 0 BEAERN O=C(CCOCC(F)(F)F)Cc1ccccn1 ZINC000053765311 181918187 /nfs/dbraw/zinc/91/81/87/181918187.db2.gz DCZYWIIKMGTSEV-UHFFFAOYSA-N 0 0 247.216 2.162 10 0 BEAERN O=C1CC[C@@]2(CCCc3ccccc32)N1 ZINC000038271626 372530484 /nfs/dbraw/zinc/53/04/84/372530484.db2.gz GRMWQKUXYAXHDB-CYBMUJFWSA-N 0 0 201.269 2.128 10 0 BEAERN CC(C)(C)OC(=O)NCCCCCCCO ZINC000038589470 372710821 /nfs/dbraw/zinc/71/08/21/372710821.db2.gz YJHJMTNYNBJHIZ-UHFFFAOYSA-N 0 0 231.336 2.454 10 0 BEAERN O=C1CNc2cc(Cl)c(Cl)cc2N1 ZINC000038673678 372739007 /nfs/dbraw/zinc/73/90/07/372739007.db2.gz ARTFFIHRZXZPOC-UHFFFAOYSA-N 0 0 217.055 2.357 10 0 BEAERN CCOC(=S)SCC(=O)OC(C)(C)C ZINC000140676734 372751288 /nfs/dbraw/zinc/75/12/88/372751288.db2.gz PUWFWBUIBGCOIP-UHFFFAOYSA-N 0 0 236.358 2.383 10 0 BEAERN Cc1cc(N)n(-c2nc(C)nc3sccc32)n1 ZINC000008549375 372755698 /nfs/dbraw/zinc/75/56/98/372755698.db2.gz WOLSACFZZQHOBF-UHFFFAOYSA-N 0 0 245.311 2.076 10 0 BEAERN O=C(COCC1CC1)N1CCC[C@@H]1c1ccco1 ZINC000116044629 181995875 /nfs/dbraw/zinc/99/58/75/181995875.db2.gz CDPATTYFFODUMA-GFCCVEGCSA-N 0 0 249.310 2.370 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000171975044 372844230 /nfs/dbraw/zinc/84/42/30/372844230.db2.gz XSGAOISYXPDNLL-UWVGGRQHSA-N 0 0 215.362 2.242 10 0 BEAERN O=C(C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000055199393 182020572 /nfs/dbraw/zinc/02/05/72/182020572.db2.gz OHZHTSREQUTVLS-NSHDSACASA-N 0 0 248.278 2.210 10 0 BEAERN Cc1ccc2c(c1)cc(CO)c(=O)n2CC(C)C ZINC000039288569 372931864 /nfs/dbraw/zinc/93/18/64/372931864.db2.gz SUIYPJMHHQQVCE-UHFFFAOYSA-N 0 0 245.322 2.458 10 0 BEAERN CCc1cc(CC)c2ccc(=O)[nH]c2n1 ZINC000141548056 372973754 /nfs/dbraw/zinc/97/37/54/372973754.db2.gz XKHYYSYKMYWRMS-UHFFFAOYSA-N 0 0 202.257 2.048 10 0 BEAERN O=C(Cc1ccc[nH]1)N1CCc2ccccc2C1 ZINC000074701114 182040100 /nfs/dbraw/zinc/04/01/00/182040100.db2.gz VFVYKWABXFZDRD-UHFFFAOYSA-N 0 0 240.306 2.142 10 0 BEAERN O=C(Cc1ccccc1)Nc1ccc(F)cn1 ZINC000040442029 182044351 /nfs/dbraw/zinc/04/43/51/182044351.db2.gz CREJUQDRHNLROQ-UHFFFAOYSA-N 0 0 230.242 2.402 10 0 BEAERN O=C(Cn1ccnc1)c1ccc(Cl)s1 ZINC000037340517 182070508 /nfs/dbraw/zinc/07/05/08/182070508.db2.gz GPWSYLSQKVUENC-UHFFFAOYSA-N 0 0 226.688 2.481 10 0 BEAERN CSC[C@@H]([NH3+])c1occc1Br ZINC000068982989 373101487 /nfs/dbraw/zinc/10/14/87/373101487.db2.gz SUNWXTUKFVXHMT-ZCFIWIBFSA-N 0 0 236.134 2.405 10 0 BEAERN O=C(Cn1cccc1)N1CCc2ccccc21 ZINC000008607019 182067553 /nfs/dbraw/zinc/06/75/53/182067553.db2.gz UCZLUKDCARVFBT-UHFFFAOYSA-N 0 0 226.279 2.077 10 0 BEAERN O=C(Cn1ccc2sccc2c1=O)C1CC1 ZINC000128938909 182067699 /nfs/dbraw/zinc/06/76/99/182067699.db2.gz PJYQFHWUPAGXGY-UHFFFAOYSA-N 0 0 233.292 2.042 10 0 BEAERN O=C(Nc1ncc[nH]1)c1cc2ccccc2s1 ZINC000070155704 182084755 /nfs/dbraw/zinc/08/47/55/182084755.db2.gz OUCSRKHFQUIRQS-UHFFFAOYSA-N 0 0 243.291 2.299 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000050700690 205469234 /nfs/dbraw/zinc/46/92/34/205469234.db2.gz NYHNFWLKIHSTCQ-ZETCQYMHSA-N 0 0 241.722 2.092 10 0 BEAERN O[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000040444192 373267463 /nfs/dbraw/zinc/26/74/63/373267463.db2.gz VKLAYLHTLWZRHK-SECBINFHSA-N 0 0 234.324 2.257 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCC(C)(C)C1 ZINC000173328971 373319691 /nfs/dbraw/zinc/31/96/91/373319691.db2.gz NAYPRCLWNNELAI-SNVBAGLBSA-N 0 0 212.337 2.472 10 0 BEAERN O=C(NC1CCCC1)C(Cl)(Cl)Cl ZINC000003093846 182108711 /nfs/dbraw/zinc/10/87/11/182108711.db2.gz XICHCNYAGNFROM-UHFFFAOYSA-N 0 0 230.522 2.415 10 0 BEAERN O=C(NC1CCCC1)[C@H]1C[C@@H]1c1ccco1 ZINC000049374164 182110022 /nfs/dbraw/zinc/11/00/22/182110022.db2.gz JQEFRXHLVTZONC-QWRGUYRKSA-N 0 0 219.284 2.442 10 0 BEAERN CC(C)C1(CNC(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000176028635 205581460 /nfs/dbraw/zinc/58/14/60/205581460.db2.gz OTAKFLRTFMQIRJ-UWVGGRQHSA-N 0 0 210.321 2.130 10 0 BEAERN COC(=O)c1sc(-c2ccccc2)nc1O ZINC000142476187 373558743 /nfs/dbraw/zinc/55/87/43/373558743.db2.gz SEMROMMAINODMM-UHFFFAOYSA-N 0 0 235.264 2.302 10 0 BEAERN O=C(NCCC1=CCCC1)c1ccc[nH]1 ZINC000131345196 182151559 /nfs/dbraw/zinc/15/15/59/182151559.db2.gz QYEOLVXUWZXLEQ-UHFFFAOYSA-N 0 0 204.273 2.245 10 0 BEAERN O=C(NCCC1=CCCC1)c1ccncc1 ZINC000131218781 182151847 /nfs/dbraw/zinc/15/18/47/182151847.db2.gz VZFOLOLTDUBIMX-UHFFFAOYSA-N 0 0 216.284 2.312 10 0 BEAERN O=C(NCCCF)N1CCC[C@@H]1c1ccco1 ZINC000124033780 182166092 /nfs/dbraw/zinc/16/60/92/182166092.db2.gz FMXGUUHDAMVCEH-SNVBAGLBSA-N 0 0 240.278 2.486 10 0 BEAERN Cc1cc(Br)c2nc(C=O)cn2c1 ZINC000142608950 373687455 /nfs/dbraw/zinc/68/74/55/373687455.db2.gz FCJFRUFEZCQHEP-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN C[C@H]1CSCCN1c1cc(Cl)ncn1 ZINC000069762786 373728063 /nfs/dbraw/zinc/72/80/63/373728063.db2.gz OFULEJSUNWJBIC-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)cnc1C ZINC000381058470 373822787 /nfs/dbraw/zinc/82/27/87/373822787.db2.gz KDKCOOJVRZEWDD-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cc1ccc(C)c(C(=O)N2CC[C@@H](O)C[C@H]2C)c1 ZINC000633866935 373825731 /nfs/dbraw/zinc/82/57/31/373825731.db2.gz GHILYOCWHUJUGR-CHWSQXEVSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)CCC(C)(C)C ZINC000633869605 373826949 /nfs/dbraw/zinc/82/69/49/373826949.db2.gz DUDHKWXJUKMLSP-GHMZBOCLSA-N 0 0 227.348 2.185 10 0 BEAERN Cc1csc(C(=O)N2CC[C@@H](O)C[C@H]2C)c1 ZINC000633871552 373831125 /nfs/dbraw/zinc/83/11/25/373831125.db2.gz NIUQVWYGDGCJAG-NXEZZACHSA-N 0 0 239.340 2.042 10 0 BEAERN O=C(NCCc1cccs1)c1ccc(O)cc1 ZINC000019839757 182209416 /nfs/dbraw/zinc/20/94/16/182209416.db2.gz ZIEUGOIURNTLDI-UHFFFAOYSA-N 0 0 247.319 2.426 10 0 BEAERN CC(C)[C@@H]1C[C@@](O)(C(F)(F)F)CCO1 ZINC000069898495 373974121 /nfs/dbraw/zinc/97/41/21/373974121.db2.gz CFFVDPNLNMFGQO-JGVFFNPUSA-N 0 0 212.211 2.115 10 0 BEAERN Cc1cc2c(cc1C)[S@](=O)[C@@H](C)CC2=O ZINC000040973092 373975171 /nfs/dbraw/zinc/97/51/71/373975171.db2.gz LJOSTUCSYYNPTO-VFZGTOFNSA-N 0 0 222.309 2.386 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccs1 ZINC000077206946 182225268 /nfs/dbraw/zinc/22/52/68/182225268.db2.gz BHDLDQSBRTYPJK-UWVGGRQHSA-N 0 0 239.340 2.029 10 0 BEAERN O=C([C@@H]1CCCS1)[C@H]1CCCCO1 ZINC000069984830 374102897 /nfs/dbraw/zinc/10/28/97/374102897.db2.gz FACAMOBWBCHNIX-BDAKNGLRSA-N 0 0 200.303 2.020 10 0 BEAERN C[C@H](NC1=N[C@@H](C)CS1)c1nccs1 ZINC000070734425 374181851 /nfs/dbraw/zinc/18/18/51/374181851.db2.gz QLKDZTVYOWHRIN-BQBZGAKWSA-N 0 0 227.358 2.285 10 0 BEAERN C[C@@H](NC1=N[C@H](C)CS1)c1nccs1 ZINC000070734426 374182184 /nfs/dbraw/zinc/18/21/84/374182184.db2.gz QLKDZTVYOWHRIN-RNFRBKRXSA-N 0 0 227.358 2.285 10 0 BEAERN C=Cc1nc(Cc2cccc(F)c2)no1 ZINC000070581037 374147810 /nfs/dbraw/zinc/14/78/10/374147810.db2.gz YUXPFNQTBJTDIO-UHFFFAOYSA-N 0 0 204.204 2.443 10 0 BEAERN Cc1ccc(N)cc1C(=O)c1ccco1 ZINC000070671651 374173785 /nfs/dbraw/zinc/17/37/85/374173785.db2.gz CXMDATSFKZYALI-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN Cc1c(N)cccc1C(=O)c1cc[nH]c1 ZINC000070671559 374173819 /nfs/dbraw/zinc/17/38/19/374173819.db2.gz IVPQOVYBUGFNLE-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN Cc1nn([C@@H](C)CC(N)=S)cc1Cl ZINC000070689360 374176850 /nfs/dbraw/zinc/17/68/50/374176850.db2.gz ZJQOOVVDWQTLHR-YFKPBYRVSA-N 0 0 217.725 2.082 10 0 BEAERN Cc1ccn(Cc2cccnc2Cl)n1 ZINC000070685258 374177179 /nfs/dbraw/zinc/17/71/79/374177179.db2.gz KFVWHQDDMDOZTN-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN Cc1nn(-c2nsnc2Cl)cc1Cl ZINC000070704005 374179782 /nfs/dbraw/zinc/17/97/82/374179782.db2.gz XWNDAOOBOABPON-UHFFFAOYSA-N 0 0 235.099 2.339 10 0 BEAERN C[NH+](C)[C@@]1(CC(=O)[O-])CCCC(C)(C)C1 ZINC000070822383 374193900 /nfs/dbraw/zinc/19/39/00/374193900.db2.gz HZYKWTKWSDTZJG-GFCCVEGCSA-N 0 0 213.321 2.362 10 0 BEAERN Cc1cccc(-c2nc(N)ns2)c1C ZINC000070839154 374198182 /nfs/dbraw/zinc/19/81/82/374198182.db2.gz PTYGFUURFSOAJX-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC(C)N(C)c1nc([C@@H](C)O)cs1 ZINC000070846941 374204593 /nfs/dbraw/zinc/20/45/93/374204593.db2.gz OGBNWJUFJDZWSJ-SSDOTTSWSA-N 0 0 200.307 2.041 10 0 BEAERN CC(C)N(C)c1nc([C@H](C)O)cs1 ZINC000070846945 374204790 /nfs/dbraw/zinc/20/47/90/374204790.db2.gz OGBNWJUFJDZWSJ-ZETCQYMHSA-N 0 0 200.307 2.041 10 0 BEAERN CC(=O)c1csc(Cc2ccccn2)n1 ZINC000070848419 374204841 /nfs/dbraw/zinc/20/48/41/374204841.db2.gz LDCZGKURKGCGJB-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN O=C(NC[C@H]1C[C@H]1c1ccccc1)c1ccon1 ZINC000111049033 182246348 /nfs/dbraw/zinc/24/63/48/182246348.db2.gz CZFNLVWYINTOPM-NEPJUHHUSA-N 0 0 242.278 2.208 10 0 BEAERN O=C(NC[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000110452364 182246832 /nfs/dbraw/zinc/24/68/32/182246832.db2.gz GYSAQTOHXOGHNK-OLZOCXBDSA-N 0 0 215.296 2.316 10 0 BEAERN CC[C@]1(C)CSC(NCC(F)(F)F)=N1 ZINC000070890257 374224626 /nfs/dbraw/zinc/22/46/26/374224626.db2.gz DYGRSMMGLDCRAE-SSDOTTSWSA-N 0 0 226.267 2.410 10 0 BEAERN O[C@@]1(Cc2ccccc2Cl)CCOC1 ZINC000070963157 374236741 /nfs/dbraw/zinc/23/67/41/374236741.db2.gz XIXJAEVMRWNVNY-LLVKDONJSA-N 0 0 212.676 2.034 10 0 BEAERN CC(C)Cc1noc([C@H]2CCCC2=O)n1 ZINC000070996689 374237873 /nfs/dbraw/zinc/23/78/73/374237873.db2.gz CIRXXOQEZWMLIC-QMMMGPOBSA-N 0 0 208.261 2.105 10 0 BEAERN COC(=O)CCC(C)(C)Br ZINC000144421634 374291390 /nfs/dbraw/zinc/29/13/90/374291390.db2.gz ICNFGTNTJJTVGS-UHFFFAOYSA-N 0 0 209.083 2.113 10 0 BEAERN CCCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117562672 168859935 /nfs/dbraw/zinc/85/99/35/168859935.db2.gz HEFFHXHBKSLCTN-MFKMUULPSA-N 0 0 233.311 2.467 10 0 BEAERN O=C(N[C@@H]1CNc2ccccc2C1)C1CCCC1 ZINC000019402221 182314342 /nfs/dbraw/zinc/31/43/42/182314342.db2.gz LMIWZFQLZPVBKV-ZDUSSCGKSA-N 0 0 244.338 2.330 10 0 BEAERN O=C(N[C@H]1C[C@@H]1c1ccccc1)C(F)(F)F ZINC000032137335 182344013 /nfs/dbraw/zinc/34/40/13/182344013.db2.gz ONHHCCWIZDGBTO-BDAKNGLRSA-N 0 0 229.201 2.221 10 0 BEAERN O=C(Nc1cc[nH]n1)c1cccc2ncccc21 ZINC000042414420 182351550 /nfs/dbraw/zinc/35/15/50/182351550.db2.gz RRAYNXLTVZBQMM-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1ccc(O)cc1)c1ccc(Cl)nn1 ZINC000038104472 182360689 /nfs/dbraw/zinc/36/06/89/182360689.db2.gz YDWARGKQLCHARP-UHFFFAOYSA-N 0 0 249.657 2.088 10 0 BEAERN O=C(Nc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000118994992 182375642 /nfs/dbraw/zinc/37/56/42/182375642.db2.gz NWXSNLRHSZDKFJ-UTUOFQBUSA-N 0 0 232.283 2.128 10 0 BEAERN O=C(Nc1ccccc1)N[C@H]1CCCC[C@H]1CO ZINC000219069816 182376187 /nfs/dbraw/zinc/37/61/87/182376187.db2.gz SBUOBHLFSAHRPF-AAEUAGOBSA-N 0 0 248.326 2.359 10 0 BEAERN O=C(Nc1cn[nH]c1)c1ccc2c(c1)CCCN2 ZINC000035764216 182392202 /nfs/dbraw/zinc/39/22/02/182392202.db2.gz YXSYAGRDLSVHPK-UHFFFAOYSA-N 0 0 242.282 2.020 10 0 BEAERN O=C(Nc1ccncc1)Nc1ccccc1O ZINC000027992207 182385956 /nfs/dbraw/zinc/38/59/56/182385956.db2.gz YKAWCOKIGYLUSR-UHFFFAOYSA-N 0 0 229.239 2.431 10 0 BEAERN O=C([O-])C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000041282709 182425964 /nfs/dbraw/zinc/42/59/64/182425964.db2.gz ZCOIDUVSRZJQGY-UHFFFAOYSA-N 0 0 239.702 2.046 10 0 BEAERN O=C([O-])C1([NH2+]C2CCCC2)Cc2ccccc2C1 ZINC000037969291 182423494 /nfs/dbraw/zinc/42/34/94/182423494.db2.gz MVSKWKBSATZWBF-UHFFFAOYSA-N 0 0 245.322 2.141 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)c1cccc(C)n1 ZINC000104168317 170186559 /nfs/dbraw/zinc/18/65/59/170186559.db2.gz XQGYKVDQSNWDPQ-UHFFFAOYSA-N 0 0 235.283 2.162 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2)C1 ZINC000070501536 182512140 /nfs/dbraw/zinc/51/21/40/182512140.db2.gz URMHKNXHPKKRGG-MWLCHTKSSA-N 0 0 220.272 2.137 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CCCCC1)c1ccc(O)cc1 ZINC000037971785 182527058 /nfs/dbraw/zinc/52/70/58/182527058.db2.gz SWURQPXJIXJTGQ-CYBMUJFWSA-N 0 0 249.310 2.440 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](Cc2ccccc2Cl)[NH2+]1 ZINC000096877320 182540243 /nfs/dbraw/zinc/54/02/43/182540243.db2.gz ZBRNPCJZUHNHNT-MWLCHTKSSA-N 0 0 239.702 2.088 10 0 BEAERN O=C(OF)C(F)(F)c1cccc(F)c1F ZINC000071619327 182606891 /nfs/dbraw/zinc/60/68/91/182606891.db2.gz CGXSDHOAUBSVST-UHFFFAOYSA-N 0 0 226.100 2.484 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC(F)C1 ZINC000336558540 182625303 /nfs/dbraw/zinc/62/53/03/182625303.db2.gz RELSMCZEBRKGIB-VXGBXAGGSA-N 0 0 225.307 2.383 10 0 BEAERN O=C(c1ccc(Cl)cn1)C(F)(F)F ZINC000085210393 182659300 /nfs/dbraw/zinc/65/93/00/182659300.db2.gz CWAHIPFSELTODX-UHFFFAOYSA-N 0 0 209.554 2.480 10 0 BEAERN O=C(c1ccccc1)c1ccc(Cl)nn1 ZINC000034062148 182677581 /nfs/dbraw/zinc/67/75/81/182677581.db2.gz DFUHUTIFOIHZGM-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN O=C(c1nc2c(s1)COCC2)c1ccccc1 ZINC000075870675 182678093 /nfs/dbraw/zinc/67/80/93/182678093.db2.gz MDARVSYGRAKJPW-UHFFFAOYSA-N 0 0 245.303 2.447 10 0 BEAERN O=C1CCOC[C@H]1Cc1ccccc1Cl ZINC000075152377 182744392 /nfs/dbraw/zinc/74/43/92/182744392.db2.gz ICXSAJZIJHROLZ-SNVBAGLBSA-N 0 0 224.687 2.488 10 0 BEAERN O=C1Cc2cc([C@H](O)c3cccs3)ccc2N1 ZINC000040255498 182788727 /nfs/dbraw/zinc/78/87/27/182788727.db2.gz ZASFJWNHMXGMCF-ZDUSSCGKSA-N 0 0 245.303 2.324 10 0 BEAERN O=C(c1ccsc1)c1ccc2c(c1)CC(=O)N2 ZINC000035368902 182787141 /nfs/dbraw/zinc/78/71/41/182787141.db2.gz LHZZMXTWLFDEPS-UHFFFAOYSA-N 0 0 243.287 2.474 10 0 BEAERN O=C1NCc2cc(Cl)c(Cl)cc21 ZINC000034204418 182815562 /nfs/dbraw/zinc/81/55/62/182815562.db2.gz FRFBLJXZQAZZKZ-UHFFFAOYSA-N 0 0 202.040 2.237 10 0 BEAERN O=C1NCCC[C@@H]1c1ccc(Cl)s1 ZINC000057497574 182802111 /nfs/dbraw/zinc/80/21/11/182802111.db2.gz HLYPSZKNTGKXMQ-ZCFIWIBFSA-N 0 0 215.705 2.395 10 0 BEAERN O=C1OCC=C1c1ccc(Br)cc1 ZINC000039476465 182828266 /nfs/dbraw/zinc/82/82/66/182828266.db2.gz UQGJYOHZAJHXCO-UHFFFAOYSA-N 0 0 239.068 2.389 10 0 BEAERN O=Cc1c(C(F)(F)F)nc2ccccn12 ZINC000006849703 182858452 /nfs/dbraw/zinc/85/84/52/182858452.db2.gz DSAAPMTUNPROQT-UHFFFAOYSA-N 0 0 214.146 2.166 10 0 BEAERN O=Cc1ccc2cnc3ccsc3n12 ZINC000039630276 182870356 /nfs/dbraw/zinc/87/03/56/182870356.db2.gz QUSBVRZNOFRJJA-UHFFFAOYSA-N 0 0 202.238 2.362 10 0 BEAERN O=Cc1cnn(Cc2ccccc2)c1Cl ZINC000238855611 182875274 /nfs/dbraw/zinc/87/52/74/182875274.db2.gz SGCPJSCIOHPRCA-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN O=Cc1nc(C2CC2)c(Cl)nc1Cl ZINC000261507968 182876205 /nfs/dbraw/zinc/87/62/05/182876205.db2.gz OJHKSOUYSMLXPI-UHFFFAOYSA-N 0 0 217.055 2.473 10 0 BEAERN CCCCOc1ccc(-c2ccc(=O)[nH]n2)cn1 ZINC000091366497 168916614 /nfs/dbraw/zinc/91/66/14/168916614.db2.gz KZGSPZIKAOJHTD-UHFFFAOYSA-N 0 0 245.282 2.423 10 0 BEAERN CCCCOc1ccc(-c2cc(N)ncn2)cn1 ZINC000091366499 168916922 /nfs/dbraw/zinc/91/69/22/168916922.db2.gz BYNXKGDWKIZFEM-UHFFFAOYSA-N 0 0 244.298 2.300 10 0 BEAERN O=c1[nH]c(-c2cnc(C3CCC3)nc2)cs1 ZINC000072204683 182969586 /nfs/dbraw/zinc/96/95/86/182969586.db2.gz QDLDPYUCESYDKV-UHFFFAOYSA-N 0 0 233.296 2.161 10 0 BEAERN O=c1ccc2ccc(Cn3ccnc3)cc2o1 ZINC000013586720 183000657 /nfs/dbraw/zinc/00/06/57/183000657.db2.gz HXFIMHPPOABVMO-UHFFFAOYSA-N 0 0 226.235 2.038 10 0 in-vivo BEAERN CCCC[C@@H](CC)C(=O)N1CC[C@H](CCO)C1 ZINC000123005545 168952605 /nfs/dbraw/zinc/95/26/05/168952605.db2.gz QEXDUZVQEOSTAL-CHWSQXEVSA-N 0 0 241.375 2.434 10 0 BEAERN O=c1ccnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000034345826 183005096 /nfs/dbraw/zinc/00/50/96/183005096.db2.gz QJPFNLAOZYZROG-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1ccnc(SCC2CCCCC2)[nH]1 ZINC000066077655 183005119 /nfs/dbraw/zinc/00/51/19/183005119.db2.gz YSTXMJYKVYXTNW-UHFFFAOYSA-N 0 0 224.329 2.442 10 0 BEAERN O=c1oc(-c2ccc[nH]2)nc2ccccc21 ZINC000238596013 183011788 /nfs/dbraw/zinc/01/17/88/183011788.db2.gz INTLFUJGCNQVHO-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN O=c1ncc(SCc2ccccc2)c[nH]1 ZINC000095883561 183012208 /nfs/dbraw/zinc/01/22/08/183012208.db2.gz SBNCKORPCSYZAX-UHFFFAOYSA-N 0 0 218.281 2.062 10 0 BEAERN OC1(CCNc2cnc3c(n2)CCCC3)CCC1 ZINC000333598209 183016395 /nfs/dbraw/zinc/01/63/95/183016395.db2.gz WBOQVXAQYPIDAD-UHFFFAOYSA-N 0 0 247.342 2.072 10 0 BEAERN OC1(CNc2ccnc(C3CC3)n2)CCCC1 ZINC000112553428 183021721 /nfs/dbraw/zinc/02/17/21/183021721.db2.gz XMSJDRDZIQKNLY-UHFFFAOYSA-N 0 0 233.315 2.071 10 0 BEAERN OC1(c2ccc(Br)cn2)CCC1 ZINC000091297174 183023629 /nfs/dbraw/zinc/02/36/29/183023629.db2.gz NKRWMOIPMARRPC-UHFFFAOYSA-N 0 0 228.089 2.216 10 0 BEAERN OCC1(Nc2ccccc2F)CCSCC1 ZINC000041058914 183040043 /nfs/dbraw/zinc/04/00/43/183040043.db2.gz SWYIGOHQHQGIKJ-UHFFFAOYSA-N 0 0 241.331 2.496 10 0 BEAERN OCCC1(CNc2ccccn2)CCC1 ZINC000132635757 183041895 /nfs/dbraw/zinc/04/18/95/183041895.db2.gz HCULEHOSGISMLY-UHFFFAOYSA-N 0 0 206.289 2.046 10 0 BEAERN CCCC[C@@H](O)c1nc(C(=O)OC)cs1 ZINC000090426023 168975208 /nfs/dbraw/zinc/97/52/08/168975208.db2.gz IVFYBMALDRSGPE-MRVPVSSYSA-N 0 0 229.301 2.153 10 0 BEAERN OCCCNc1nnc(Cl)c2ccccc21 ZINC000050529224 183060461 /nfs/dbraw/zinc/06/04/61/183060461.db2.gz MRQGJAUPLSYNSD-UHFFFAOYSA-N 0 0 237.690 2.078 10 0 BEAERN OCCCNc1c(F)c(F)c(F)c(F)c1F ZINC000020560146 183060566 /nfs/dbraw/zinc/06/05/66/183060566.db2.gz JXEKSHOILDVKGS-UHFFFAOYSA-N 0 0 241.159 2.176 10 0 BEAERN OCCNc1cc(Cl)nc(-c2ccccc2)n1 ZINC000126260525 183080564 /nfs/dbraw/zinc/08/05/64/183080564.db2.gz JSVYQZUYWRFMHV-UHFFFAOYSA-N 0 0 249.701 2.201 10 0 BEAERN OCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000143465715 183090836 /nfs/dbraw/zinc/09/08/36/183090836.db2.gz NZJFYJOALNQRNQ-SECBINFHSA-N 0 0 221.083 2.409 10 0 BEAERN OC[C@@H]1CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000227983432 183118025 /nfs/dbraw/zinc/11/80/25/183118025.db2.gz XKHLKBUIVVQSQS-IUCAKERBSA-N 0 0 241.722 2.093 10 0 BEAERN OCCc1ccccc1OC(F)(F)F ZINC000039118217 183100082 /nfs/dbraw/zinc/10/00/82/183100082.db2.gz FUPOSQQIULEEBH-UHFFFAOYSA-N 0 0 206.163 2.120 10 0 BEAERN OCCc1sccc1Br ZINC000069049537 183102063 /nfs/dbraw/zinc/10/20/63/183102063.db2.gz KCZAFTAJOFCEPQ-UHFFFAOYSA-N 0 0 207.092 2.045 10 0 BEAERN OCCc1csc(-c2ccccc2)n1 ZINC000015015000 183102097 /nfs/dbraw/zinc/10/20/97/183102097.db2.gz SPSMPSHLBSFTCI-UHFFFAOYSA-N 0 0 205.282 2.345 10 0 BEAERN OCCc1nc(-c2cccs2)cs1 ZINC000032012571 183102118 /nfs/dbraw/zinc/10/21/18/183102118.db2.gz MFCQQMKKZJTLJS-UHFFFAOYSA-N 0 0 211.311 2.406 10 0 BEAERN OCCn1nc(C(F)F)c(Cl)c1C(F)F ZINC000020313227 183102669 /nfs/dbraw/zinc/10/26/69/183102669.db2.gz NWDMMTKJBGKDCY-UHFFFAOYSA-N 0 0 246.591 2.404 10 0 BEAERN COC(=O)[C@H](N[C@H](C)c1cccs1)C1CC1 ZINC000220976093 134314839 /nfs/dbraw/zinc/31/48/39/134314839.db2.gz JDXROVMABFNWOC-LDYMZIIASA-N 0 0 239.340 2.350 10 0 BEAERN CCCCc1ccc(C2=CC(=O)NC2=O)cc1 ZINC000049821395 169021138 /nfs/dbraw/zinc/02/11/38/169021138.db2.gz VNSHCVIITDMKAM-UHFFFAOYSA-N 0 0 229.279 2.069 10 0 BEAERN CCCCc1ccc([C@H]([NH2+]C)C(=O)[O-])cc1 ZINC000098124655 169023125 /nfs/dbraw/zinc/02/31/25/169023125.db2.gz AIVSQBXBCRMFAB-LBPRGKRZSA-N 0 0 221.300 2.374 10 0 BEAERN CCCCc1noc([C@@H]2CCC[C@@H](O)C2)n1 ZINC000303798194 169031183 /nfs/dbraw/zinc/03/11/83/169031183.db2.gz SKGHOGKXPSQSCT-NXEZZACHSA-N 0 0 224.304 2.431 10 0 BEAERN CCCCc1nccn1-c1ncccc1N ZINC000085343099 169027111 /nfs/dbraw/zinc/02/71/11/169027111.db2.gz OQKUEQTVUMLCLR-UHFFFAOYSA-N 0 0 216.288 2.192 10 0 BEAERN OC[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000143379414 183126200 /nfs/dbraw/zinc/12/62/00/183126200.db2.gz YOFCDBZOBQYVME-MRVPVSSYSA-N 0 0 219.259 2.404 10 0 BEAERN CCCC[S@@](=O)c1nc2cc(N)ccc2o1 ZINC000042196530 169015911 /nfs/dbraw/zinc/01/59/11/169015911.db2.gz BRARRKIHMOGXPV-INIZCTEOSA-N 0 0 238.312 2.318 10 0 BEAERN CCCCn1c(N)cc2ccccc2c1=O ZINC000036946515 169033869 /nfs/dbraw/zinc/03/38/69/169033869.db2.gz XJFZNHFZQPRRAR-UHFFFAOYSA-N 0 0 216.284 2.384 10 0 BEAERN OC[C@H]1CCCN1c1nsc2ccccc21 ZINC000095078615 183152725 /nfs/dbraw/zinc/15/27/25/183152725.db2.gz CJNCYBIVZKFMPN-SECBINFHSA-N 0 0 234.324 2.257 10 0 BEAERN OCc1c(Cl)n(-c2ccccn2)nc1C1CC1 ZINC000103960827 183159873 /nfs/dbraw/zinc/15/98/73/183159873.db2.gz FHEQFDIREJAEJJ-UHFFFAOYSA-N 0 0 249.701 2.290 10 0 BEAERN OCc1cc(-c2ccc(Cl)s2)n[nH]1 ZINC000036159123 183160253 /nfs/dbraw/zinc/16/02/53/183160253.db2.gz JSMGGKBNDUWLQJ-UHFFFAOYSA-N 0 0 214.677 2.284 10 0 BEAERN OCc1c(Cl)nc2ccc(Cl)cn21 ZINC000082694471 183160548 /nfs/dbraw/zinc/16/05/48/183160548.db2.gz RYKCTQFLRRWPTE-UHFFFAOYSA-N 0 0 217.055 2.133 10 0 BEAERN CCCN(C(=O)COCC)c1ccccc1N ZINC000063113257 169041922 /nfs/dbraw/zinc/04/19/22/169041922.db2.gz WDWIMQKSMHPNEF-UHFFFAOYSA-N 0 0 236.315 2.048 10 0 BEAERN OCc1cc(Br)cc2cccnc21 ZINC000095929575 183160655 /nfs/dbraw/zinc/16/06/55/183160655.db2.gz HBQPJPSNCZMFRH-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1ccc(Br)c2cccnc12 ZINC000095929761 183163537 /nfs/dbraw/zinc/16/35/37/183163537.db2.gz LRNHUBDXQVUBHJ-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000041300442 183164652 /nfs/dbraw/zinc/16/46/52/183164652.db2.gz XANQCTJZXQZCQC-UHFFFAOYSA-N 0 0 248.234 2.080 10 0 BEAERN OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000038611244 183145490 /nfs/dbraw/zinc/14/54/90/183145490.db2.gz HZAZETJSOZQUJL-QMMMGPOBSA-N 0 0 207.056 2.019 10 0 BEAERN CCCN(C(=O)c1sccc1N)C1CC1 ZINC000040302745 169049261 /nfs/dbraw/zinc/04/92/61/169049261.db2.gz WSQNRPUYCZSHMF-UHFFFAOYSA-N 0 0 224.329 2.345 10 0 BEAERN O[C@@H](COC(F)(F)F)c1cccc(F)c1 ZINC000068576515 183182620 /nfs/dbraw/zinc/18/26/20/183182620.db2.gz KSCDHBCCWZPEGD-QMMMGPOBSA-N 0 0 224.153 2.396 10 0 BEAERN O[C@@H](Cc1cccc(F)c1F)c1cnccn1 ZINC000053784953 183183304 /nfs/dbraw/zinc/18/33/04/183183304.db2.gz WQSWOJNAHQHMGP-NSHDSACASA-N 0 0 236.221 2.031 10 0 BEAERN OCc1cnc2ccc(Br)cc2c1 ZINC000095627770 183169732 /nfs/dbraw/zinc/16/97/32/183169732.db2.gz BPOWICUULHQXAE-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1csc(Nc2ccccc2)n1 ZINC000034447495 183170997 /nfs/dbraw/zinc/17/09/97/183170997.db2.gz FTRHDSFEFPGMSQ-UHFFFAOYSA-N 0 0 206.270 2.379 10 0 BEAERN OCc1oncc1-c1ccccc1Cl ZINC000079045468 183171281 /nfs/dbraw/zinc/17/12/81/183171281.db2.gz UNNWGVAXRGONOL-UHFFFAOYSA-N 0 0 209.632 2.487 10 0 BEAERN OCc1nccn1C[C@@H]1CCCc2ccccc21 ZINC000104319020 183171527 /nfs/dbraw/zinc/17/15/27/183171527.db2.gz QRWGLEMDFAYZFP-ZDUSSCGKSA-N 0 0 242.322 2.496 10 0 BEAERN O[C@@H]1CCc2cccc(Br)c21 ZINC000144842911 183206998 /nfs/dbraw/zinc/20/69/98/183206998.db2.gz BDANRHYZJFBCQQ-MRVPVSSYSA-N 0 0 213.074 2.429 10 0 BEAERN CCCN(C)C(=O)c1cc(Cl)ccc1N ZINC000037097703 169059286 /nfs/dbraw/zinc/05/92/86/169059286.db2.gz AUPUIXZDXMKQJN-UHFFFAOYSA-N 0 0 226.707 2.404 10 0 BEAERN O[C@@H]1C=Cc2c3ccccc3ccc2[C@H]1O ZINC000006118261 183186379 /nfs/dbraw/zinc/18/63/79/183186379.db2.gz FZOALBNXOKAOEW-ZIAGYGMSSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN CCCN(C)C(=O)c1c(C)cccc1N ZINC000037097695 169060399 /nfs/dbraw/zinc/06/03/99/169060399.db2.gz BQUWLQQFNKIRLN-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1ncccc1Cl ZINC000052007020 183188951 /nfs/dbraw/zinc/18/89/51/183188951.db2.gz CPQZRBXVANDSNT-VHSXEESVSA-N 0 0 226.707 2.450 10 0 BEAERN O[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000035874672 183229703 /nfs/dbraw/zinc/22/97/03/183229703.db2.gz WIUXPYVCXUBMJO-CQSZACIVSA-N 0 0 228.247 2.497 10 0 BEAERN O[C@@H]1Nc2ccccc2N1Cc1ccccc1 ZINC000071973986 183213462 /nfs/dbraw/zinc/21/34/62/183213462.db2.gz SZDBYVPXRAGFKP-CQSZACIVSA-N 0 0 226.279 2.395 10 0 BEAERN O[C@@H]1c2cc(Br)ccc2NC12CC2 ZINC000082328011 183214817 /nfs/dbraw/zinc/21/48/17/183214817.db2.gz URZVZPRAJJTLAG-SECBINFHSA-N 0 0 240.100 2.441 10 0 BEAERN O[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000021994626 183214945 /nfs/dbraw/zinc/21/49/45/183214945.db2.gz NXZFGPQSDCEZFS-CHWSQXEVSA-N 0 0 214.268 2.104 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ccc(F)c(F)c1 ZINC000037689858 183238170 /nfs/dbraw/zinc/23/81/70/183238170.db2.gz DPAGDFMMLNAVOS-MNOVXSKESA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCCc2cc(O[C@H]3CCOC3)ccc21 ZINC000070072311 183238682 /nfs/dbraw/zinc/23/86/82/183238682.db2.gz DJCKRRCOWZHOJY-JSGCOSHPSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@H]1CCc2c1cccc2O[C@@H]1CCCC[C@@H]1O ZINC000062800798 183241965 /nfs/dbraw/zinc/24/19/65/183241965.db2.gz ZCXPKROVEDZAMN-KCQAQPDRSA-N 0 0 248.322 2.349 10 0 BEAERN O[C@H]1C[C@@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415209 183248639 /nfs/dbraw/zinc/24/86/39/183248639.db2.gz PSFGHRIZPRPWSD-XVKPBYJWSA-N 0 0 220.297 2.235 10 0 BEAERN O[C@]1(c2cccnc2)CCc2ccccc2C1 ZINC000037761317 183252766 /nfs/dbraw/zinc/25/27/66/183252766.db2.gz MWQCGBWVQVOIMH-OAHLLOKOSA-N 0 0 225.291 2.458 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1ncccc1F ZINC000082997305 183232439 /nfs/dbraw/zinc/23/24/39/183232439.db2.gz GZMUFYSHGFMPBM-ONGXEEELSA-N 0 0 224.279 2.184 10 0 BEAERN O[C@H]1CCCc2cc3c(cc21)OCCCO3 ZINC000031889109 183237713 /nfs/dbraw/zinc/23/77/13/183237713.db2.gz GSLZVAABGRYIDB-NSHDSACASA-N 0 0 220.268 2.218 10 0 BEAERN Oc1ccc(C(O)c2ccc(O)cc2)cc1 ZINC000034085882 183267327 /nfs/dbraw/zinc/26/73/27/183267327.db2.gz CIDJXBNFIKRPHX-UHFFFAOYSA-N 0 0 216.236 2.180 10 0 in-vitro BEAERN Oc1ccc(CNc2cn[nH]c2)cc1Cl ZINC000043477591 183272130 /nfs/dbraw/zinc/27/21/30/183272130.db2.gz IRWGPYVTWDJKLJ-UHFFFAOYSA-N 0 0 223.663 2.381 10 0 BEAERN Oc1ccc(OCc2ccccn2)cc1 ZINC000036896709 183277412 /nfs/dbraw/zinc/27/74/12/183277412.db2.gz UQQBRAZULREJFX-UHFFFAOYSA-N 0 0 201.225 2.366 10 0 BEAERN Oc1ccc2n[nH]cc2c1C(F)(F)F ZINC000089196981 183278639 /nfs/dbraw/zinc/27/86/39/183278639.db2.gz PVOJYAPEJGBHFD-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN Oc1ccc2c(c1)OC[C@@H]2NCc1ccncc1 ZINC000020140175 183281319 /nfs/dbraw/zinc/28/13/19/183281319.db2.gz MTAXRWZBWSOOLP-ZDUSSCGKSA-N 0 0 242.278 2.011 10 0 BEAERN CCCN(C[C@H]1CCCCO1)C(=O)CC ZINC000106695459 169173612 /nfs/dbraw/zinc/17/36/12/169173612.db2.gz BRRUNKOYQZTWSD-LLVKDONJSA-N 0 0 213.321 2.204 10 0 BEAERN Oc1cccc(-c2cc(O)cc(O)c2)c1 ZINC000005785175 183285582 /nfs/dbraw/zinc/28/55/82/183285582.db2.gz ZWJMMZAKZQPIHD-UHFFFAOYSA-N 0 0 202.209 2.470 10 0 BEAERN CCCN(CCC)c1n[nH]c(=S)n1C ZINC000021949543 169154635 /nfs/dbraw/zinc/15/46/35/169154635.db2.gz UMQVFXYHBLGRGD-UHFFFAOYSA-N 0 0 214.338 2.104 10 0 BEAERN Oc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000050267758 183292887 /nfs/dbraw/zinc/29/28/87/183292887.db2.gz JDQBWPNLOXUVJZ-LBPRGKRZSA-N 0 0 205.257 2.497 10 0 BEAERN Oc1cccc(NCc2ccccn2)c1 ZINC000020194027 183293217 /nfs/dbraw/zinc/29/32/17/183293217.db2.gz SZSMVNNZVAIBCS-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN Oc1cccc(OCc2noc(C3CC3)n2)c1 ZINC000049337712 183293328 /nfs/dbraw/zinc/29/33/28/183293328.db2.gz QVHHBGLKJSOMOT-UHFFFAOYSA-N 0 0 232.239 2.232 10 0 BEAERN Oc1cccc2[nH]nc(C(F)(F)F)c21 ZINC000089195836 183293672 /nfs/dbraw/zinc/29/36/72/183293672.db2.gz KDDIWJCICSFPKE-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN Oc1ccccc1-c1nc(-c2cccnc2)n[nH]1 ZINC000005998591 183299397 /nfs/dbraw/zinc/29/93/97/183299397.db2.gz KNNFVHZCUIHELG-UHFFFAOYSA-N 0 0 238.250 2.239 10 0 BEAERN Oc1ccccc1OCc1ccccn1 ZINC000034962400 183304185 /nfs/dbraw/zinc/30/41/85/183304185.db2.gz BOWOAFXYGKRXBP-UHFFFAOYSA-N 0 0 201.225 2.366 10 0 BEAERN Oc1cncc(-c2cc(F)ccc2O)c1 ZINC000065339035 183305151 /nfs/dbraw/zinc/30/51/51/183305151.db2.gz PTOIHWJNHREWOU-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN Oc1cncc(-c2ccc(F)cc2O)c1 ZINC000065339029 183305301 /nfs/dbraw/zinc/30/53/01/183305301.db2.gz OSGZRIMRBVJBBH-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN S=c1[nH]nc(C2CC2)n1CCc1ccncc1 ZINC000048262776 183314580 /nfs/dbraw/zinc/31/45/80/183314580.db2.gz LKGJZIVXZGACQQ-UHFFFAOYSA-N 0 0 246.339 2.456 10 0 BEAERN CCCN(c1cccc(N)c1)[C@@H](C)C(=O)NCC ZINC000063112736 169182836 /nfs/dbraw/zinc/18/28/36/169182836.db2.gz JZLVQFRBPGYOEO-NSHDSACASA-N 0 0 249.358 2.010 10 0 BEAERN CCCN(c1ncnc(Cl)c1N)C1CC1 ZINC000062362595 169183358 /nfs/dbraw/zinc/18/33/58/169183358.db2.gz VDKWRQMRNXSZEI-UHFFFAOYSA-N 0 0 226.711 2.091 10 0 BEAERN S=C1N=NCN1Cc1cccc(Cl)c1 ZINC000053159191 183316606 /nfs/dbraw/zinc/31/66/06/183316606.db2.gz RNEZKURBGZKZLZ-UHFFFAOYSA-N 0 0 225.704 2.269 10 0 BEAERN c1c2c(cc3c1OCCCO3)NCCC2 ZINC000019399754 183321178 /nfs/dbraw/zinc/32/11/78/183321178.db2.gz SDRKHHCHVZHMPU-UHFFFAOYSA-N 0 0 205.257 2.206 10 0 BEAERN c1c[nH]c(CN2CCO[C@@H](c3ccsc3)C2)n1 ZINC000126196417 183324693 /nfs/dbraw/zinc/32/46/93/183324693.db2.gz AZUSQNRPYOKSPN-LLVKDONJSA-N 0 0 249.339 2.045 10 0 BEAERN S=C(Nc1ccc2[nH]cnc2c1)N1CCCC1 ZINC000089195176 183311611 /nfs/dbraw/zinc/31/16/11/183311611.db2.gz GOBHMBXZFQXBLT-UHFFFAOYSA-N 0 0 246.339 2.356 10 0 BEAERN CCCNC(=O)CCC(=O)c1ccc(C)c(N)c1 ZINC000049836383 169214595 /nfs/dbraw/zinc/21/45/95/169214595.db2.gz SNEFFSYORDUSAV-UHFFFAOYSA-N 0 0 248.326 2.066 10 0 BEAERN c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(C2CC2)n1 ZINC000133457744 183358608 /nfs/dbraw/zinc/35/86/08/183358608.db2.gz FWDCKYKUVJLPBP-MXWKQRLJSA-N 0 0 231.299 2.086 10 0 BEAERN c1c[nH]c(CNc2cccc3c2OCCC3)n1 ZINC000374573614 183365403 /nfs/dbraw/zinc/36/54/03/183365403.db2.gz CLVFZTMNMNRUII-UHFFFAOYSA-N 0 0 229.283 2.347 10 0 BEAERN c1cc(NC[C@H]2CCCO2)cc2c1OCO2 ZINC000020056414 183369808 /nfs/dbraw/zinc/36/98/08/183369808.db2.gz UAFJOSDWCJXCCK-SNVBAGLBSA-N 0 0 221.256 2.006 10 0 BEAERN CCCNC(=O)N(CC)Cc1ccccc1N ZINC000035364528 169234745 /nfs/dbraw/zinc/23/47/45/169234745.db2.gz OVUVFHOENBUMJZ-UHFFFAOYSA-N 0 0 235.331 2.210 10 0 BEAERN CCCNC(=O)N1C[C@@H](c2ccccc2)OC1=O ZINC000002019921 169235771 /nfs/dbraw/zinc/23/57/71/169235771.db2.gz AUVLZBKTWSCAIM-NSHDSACASA-N 0 0 248.282 2.300 10 0 in-man BEAERN CCCNC(=O)N[C@@H](C)c1cccc(N)c1 ZINC000037178902 169238704 /nfs/dbraw/zinc/23/87/04/169238704.db2.gz DGMBSXNGJAKULD-VIFPVBQESA-N 0 0 221.304 2.039 10 0 BEAERN CCCNC(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000020256741 169240163 /nfs/dbraw/zinc/24/01/63/169240163.db2.gz IULPFTSSZSYWAN-SECBINFHSA-N 0 0 221.304 2.238 10 0 BEAERN c1cc2nnc(C3CCCCC3)nc2cn1 ZINC000026505379 183377677 /nfs/dbraw/zinc/37/76/77/183377677.db2.gz AJBBGDNWIVFDFK-UHFFFAOYSA-N 0 0 214.272 2.468 10 0 BEAERN c1ccc(-c2nnc3cccnc3n2)cc1 ZINC000034286623 183384468 /nfs/dbraw/zinc/38/44/68/183384468.db2.gz CQZVASFGEQKIDQ-UHFFFAOYSA-N 0 0 208.224 2.087 10 0 BEAERN CCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117566842 169250156 /nfs/dbraw/zinc/25/01/56/169250156.db2.gz JCERQWGPZCQABM-CABZTGNLSA-N 0 0 219.284 2.077 10 0 BEAERN CCCNC(=O)c1cc(C)ccc1NC ZINC000053000090 169250784 /nfs/dbraw/zinc/25/07/84/169250784.db2.gz FVCPNAGJEQIOBU-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN CCCNC(=O)c1cc2c(cccc2OC)n1C ZINC000040788520 169250807 /nfs/dbraw/zinc/25/08/07/169250807.db2.gz HKXKWPLAHCEUFT-UHFFFAOYSA-N 0 0 246.310 2.327 10 0 BEAERN CCCNC(=O)c1cc2cc(N)ccc2o1 ZINC000040292083 169250830 /nfs/dbraw/zinc/25/08/30/169250830.db2.gz GWHLLOMGLKJINN-UHFFFAOYSA-N 0 0 218.256 2.155 10 0 BEAERN CCCNC(=O)c1cccc(F)c1NC ZINC000054205718 169252630 /nfs/dbraw/zinc/25/26/30/169252630.db2.gz ABPWIKWYSYHEDI-UHFFFAOYSA-N 0 0 210.252 2.007 10 0 BEAERN c1ccc(CCn2nnc3ccccc32)nc1 ZINC000005332308 183397430 /nfs/dbraw/zinc/39/74/30/183397430.db2.gz OFTVZUYWKKPYRJ-UHFFFAOYSA-N 0 0 224.267 2.069 10 0 BEAERN CCCOC(=O)c1cc(N)c(F)cc1F ZINC000037409246 169300470 /nfs/dbraw/zinc/30/04/70/169300470.db2.gz MZZQTAOCYFVOLY-UHFFFAOYSA-N 0 0 215.199 2.114 10 0 BEAERN CCCOC(=O)c1c(N)cc(F)cc1F ZINC000037475346 169300532 /nfs/dbraw/zinc/30/05/32/169300532.db2.gz KWLLICZGUCEKRB-UHFFFAOYSA-N 0 0 215.199 2.114 10 0 BEAERN CCCOC(=O)c1c(C)cc(C)cc1N ZINC000037475316 169300651 /nfs/dbraw/zinc/30/06/51/169300651.db2.gz GIOFAOQBZJJEGF-UHFFFAOYSA-N 0 0 207.273 2.452 10 0 BEAERN CCCOC(=O)c1csc2nnsc12 ZINC000002184147 169301302 /nfs/dbraw/zinc/30/13/02/169301302.db2.gz PDOSGDDCUSKEIM-UHFFFAOYSA-N 0 0 228.298 2.320 10 0 BEAERN CCCOC(=O)c1ccc2c(c1)CCN2 ZINC000019722374 169301516 /nfs/dbraw/zinc/30/15/16/169301516.db2.gz SUMHXSBSCFDOFE-UHFFFAOYSA-N 0 0 205.257 2.221 10 0 BEAERN CCCOCCOCc1ccc(OC)c(N)c1 ZINC000104231751 169309646 /nfs/dbraw/zinc/30/96/46/169309646.db2.gz YGVDLCJTRCYDAP-UHFFFAOYSA-N 0 0 239.315 2.221 10 0 BEAERN CCCOc1ccc(CC(N)=S)cc1 ZINC000019482884 169317534 /nfs/dbraw/zinc/31/75/34/169317534.db2.gz HFNDNLFMGNFISZ-UHFFFAOYSA-N 0 0 209.314 2.304 10 0 BEAERN CCCO[C@H]1CCC[N@@H+]([C@@H](C)CCC(=O)[O-])C1 ZINC000050957094 169312627 /nfs/dbraw/zinc/31/26/27/169312627.db2.gz VTCOWEJXPIHCQE-RYUDHWBXSA-N 0 0 243.347 2.131 10 0 BEAERN CCCOc1ccc(C(=O)c2cncnc2)cc1 ZINC000045028839 169316998 /nfs/dbraw/zinc/31/69/98/169316998.db2.gz XGVRBKYLALHMQP-UHFFFAOYSA-N 0 0 242.278 2.496 10 0 BEAERN CCCNc1cc(C(=O)NC)ccc1C ZINC000037086682 169293876 /nfs/dbraw/zinc/29/38/76/169293876.db2.gz RBPXVTKRGGSAJL-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN CCCNc1cc(C(=O)Nc2ccon2)ccn1 ZINC000061684762 169293956 /nfs/dbraw/zinc/29/39/56/169293956.db2.gz IESYXEWTCFWIAT-UHFFFAOYSA-N 0 0 246.270 2.144 10 0 BEAERN CCCNc1ccc(-c2nncn2C)cc1 ZINC000036972478 169294261 /nfs/dbraw/zinc/29/42/61/169294261.db2.gz YYBGMRKQMAYMLC-UHFFFAOYSA-N 0 0 216.288 2.304 10 0 BEAERN CCCSCc1ncc(CO)s1 ZINC000062201369 169340481 /nfs/dbraw/zinc/34/04/81/169340481.db2.gz AOSSRTMHCXZJFJ-UHFFFAOYSA-N 0 0 203.332 2.279 10 0 BEAERN CCCSc1cc2c(cc1N)OCC(=O)N2 ZINC000035453621 169341466 /nfs/dbraw/zinc/34/14/66/169341466.db2.gz CEJINZNGBHDJBJ-UHFFFAOYSA-N 0 0 238.312 2.102 10 0 BEAERN CCCOc1ccc(C2=NNC(=N)SC2)cc1 ZINC000040537951 169317947 /nfs/dbraw/zinc/31/79/47/169317947.db2.gz WDTSFXDPMDCHEV-UHFFFAOYSA-N 0 0 249.339 2.241 10 0 BEAERN CCCOc1ccc([C@](C)([NH3+])CC(=O)[O-])cc1 ZINC000071547810 169322448 /nfs/dbraw/zinc/32/24/48/169322448.db2.gz IWSBTRNQSBCUID-CYBMUJFWSA-N 0 0 237.299 2.124 10 0 BEAERN CCCOc1nc(Cl)nc(N(CC)CC)n1 ZINC000061520512 169327985 /nfs/dbraw/zinc/32/79/85/169327985.db2.gz OEKPTAATYIVFBJ-UHFFFAOYSA-N 0 0 244.726 2.160 10 0 BEAERN CCCS(=O)(=O)Nc1cc(Cl)ccc1O ZINC000034939303 169334119 /nfs/dbraw/zinc/33/41/19/169334119.db2.gz SEDPKIBYLVPGRO-UHFFFAOYSA-N 0 0 249.719 2.197 10 0 BEAERN c1ccc2c(c1)NC[C@@H](c1nc(C3CC3)no1)O2 ZINC000021817264 183451017 /nfs/dbraw/zinc/45/10/17/183451017.db2.gz BEIZITUHEXXHGW-NSHDSACASA-N 0 0 243.266 2.493 10 0 BEAERN CCCSCC(=O)Nc1cc(N)ccc1F ZINC000019870089 169338380 /nfs/dbraw/zinc/33/83/80/169338380.db2.gz RZIJOXTXOVMTNZ-UHFFFAOYSA-N 0 0 242.319 2.490 10 0 BEAERN CCC[C@@H](C)[N@H+](C)Cc1cccnc1C(=O)[O-] ZINC000062752520 169365712 /nfs/dbraw/zinc/36/57/12/169365712.db2.gz FBJXACNNJBTRMA-SNVBAGLBSA-N 0 0 236.315 2.400 10 0 BEAERN CCC[C@@H](C)C(=O)NC1(CO)CCC(C)CC1 ZINC000053101990 169349457 /nfs/dbraw/zinc/34/94/57/169349457.db2.gz IMBKKJRAQHUWQN-MBHSVXNSSA-N 0 0 241.375 2.480 10 0 BEAERN CCC[C@@H](C)C(=O)Nc1ccc(N)cn1 ZINC000036903948 169353223 /nfs/dbraw/zinc/35/32/23/169353223.db2.gz QYFAEBHZICPXFC-MRVPVSSYSA-N 0 0 207.277 2.039 10 0 BEAERN CCC[C@@H](C)Cn1c2ccccc2c(=O)oc1=O ZINC000062821859 169362233 /nfs/dbraw/zinc/36/22/33/169362233.db2.gz FJCWKDRXADZUOS-SNVBAGLBSA-N 0 0 247.294 2.391 10 0 BEAERN CCC[C@@H](CC)NC(=O)CCc1ccnn1C ZINC000121271269 169376112 /nfs/dbraw/zinc/37/61/12/169376112.db2.gz ORDATWPHJNGTGN-LLVKDONJSA-N 0 0 237.347 2.048 10 0 BEAERN CCC[C@H](C)c1cnc2nc(N)nc(N)c2c1C ZINC000005114723 169495684 /nfs/dbraw/zinc/49/56/84/169495684.db2.gz UQMAYNJFHMJQRZ-ZETCQYMHSA-N 0 0 245.330 2.401 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccnc(F)c1 ZINC000075374824 169538523 /nfs/dbraw/zinc/53/85/23/169538523.db2.gz SIIJZPQSFSCPIZ-WCBMZHEXSA-N 0 0 222.263 2.139 10 0 BEAERN CCCc1nnc(N[C@H](CO)CC(C)C)s1 ZINC000301661683 169599674 /nfs/dbraw/zinc/59/96/74/169599674.db2.gz KBZZDRZISLOGGX-VIFPVBQESA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnsc1-n1nnc2ccccc21 ZINC000005597692 169600048 /nfs/dbraw/zinc/60/00/48/169600048.db2.gz BYCBZNDUYUXXSZ-UHFFFAOYSA-N 0 0 245.311 2.225 10 0 BEAERN CCCc1noc(CCCSC)n1 ZINC000308286847 169601853 /nfs/dbraw/zinc/60/18/53/169601853.db2.gz CIPOHVSQTGFNLE-UHFFFAOYSA-N 0 0 200.307 2.318 10 0 BEAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccsc1 ZINC000225650160 134356469 /nfs/dbraw/zinc/35/64/69/134356469.db2.gz MIBKEUIOIAZUCA-KOLCDFICSA-N 0 0 239.340 2.029 10 0 BEAERN CCCn1cc(NCc2ccco2)ccc1=O ZINC000037774637 169621037 /nfs/dbraw/zinc/62/10/37/169621037.db2.gz CQIMEKJBSVZHNS-UHFFFAOYSA-N 0 0 232.283 2.463 10 0 BEAERN CCN(C(=O)[C@H]1CCOC1)[C@@H](C)c1cccnc1 ZINC000115227154 169653764 /nfs/dbraw/zinc/65/37/64/169653764.db2.gz OPRSTPNMLXKPSD-AAEUAGOBSA-N 0 0 248.326 2.028 10 0 BEAERN CCN(C(=O)[C@H]1CCOC1)[C@H](C)c1cccnc1 ZINC000115227156 169653778 /nfs/dbraw/zinc/65/37/78/169653778.db2.gz OPRSTPNMLXKPSD-YPMHNXCESA-N 0 0 248.326 2.028 10 0 BEAERN CCN(C(=O)c1c[nH]c(=O)cc1C)C1CCCC1 ZINC000121926158 169655296 /nfs/dbraw/zinc/65/52/96/169655296.db2.gz YGYARTKJRQUJDK-UHFFFAOYSA-N 0 0 248.326 2.088 10 0 BEAERN CCC[C@H]([NH2+][C@@H]1CC[C@@H](CC)C1)C(=O)[O-] ZINC000226403689 134365619 /nfs/dbraw/zinc/36/56/19/134365619.db2.gz WUDVEWAZGYCCOQ-MXWKQRLJSA-N 0 0 213.321 2.408 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N(C)CCCCCO ZINC000227097550 134374482 /nfs/dbraw/zinc/37/44/82/134374482.db2.gz CHBWXQRPDGFJNG-RYUDHWBXSA-N 0 0 227.348 2.044 10 0 BEAERN CC[C@H](CO)Nc1ccc2ccccc2n1 ZINC000035100456 383827532 /nfs/dbraw/zinc/82/75/32/383827532.db2.gz OEHJJNUSNLTIRM-LLVKDONJSA-N 0 0 216.284 2.418 10 0 BEAERN O=c1c2ccc[nH]c-2cn1Cc1ccc(F)cc1 ZINC000000003003 383818050 /nfs/dbraw/zinc/81/80/50/383818050.db2.gz ZAQVBOFXTWGISJ-UHFFFAOYSA-N 0 0 242.253 2.377 10 0 BEAERN CCc1cc(C#N)cc(OC)c1C(C)=O ZINC000575647674 383821266 /nfs/dbraw/zinc/82/12/66/383821266.db2.gz UAYAGENRQKJESP-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccncc1Br ZINC000306525782 383841132 /nfs/dbraw/zinc/84/11/32/383841132.db2.gz RIRZVTHMASDRTG-RNFRBKRXSA-N 0 0 245.120 2.025 10 0 BEAERN FC1(F)CNCC[C@@H]1COCc1ccccc1 ZINC000066351302 383862181 /nfs/dbraw/zinc/86/21/81/383862181.db2.gz CSJSUJYURQPBAA-GFCCVEGCSA-N 0 0 241.281 2.448 10 0 BEAERN COc1ccc(C#N)c(C=O)c1C(F)(F)F ZINC000575648149 383876052 /nfs/dbraw/zinc/87/60/52/383876052.db2.gz KPNBGMIHRBHWOB-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CC(C)CCOC(=O)c1ccccc1N ZINC000001599267 383910012 /nfs/dbraw/zinc/91/00/12/383910012.db2.gz YXMRIWCMMGEYBH-UHFFFAOYSA-N 0 0 207.273 2.472 10 0 BEAERN Cc1csc(CN2CCS[C@@H](C)C2)n1 ZINC000088595519 383914560 /nfs/dbraw/zinc/91/45/60/383914560.db2.gz IUYZTACIVCBPPU-VIFPVBQESA-N 0 0 228.386 2.389 10 0 BEAERN CC[C@H](C)[C@H](O)CNc1ccnc(C2CC2)n1 ZINC000112334243 383915187 /nfs/dbraw/zinc/91/51/87/383915187.db2.gz WNKYJGRBWSJRJU-GXSJLCMTSA-N 0 0 235.331 2.173 10 0 BEAERN Nc1c(Cl)ccnc1Br ZINC000088611579 383915228 /nfs/dbraw/zinc/91/52/28/383915228.db2.gz BZXFKYRDEFEWPG-UHFFFAOYSA-N 0 0 207.458 2.080 10 0 BEAERN Nc1nc(-c2nccc3ccccc32)ns1 ZINC000067173704 383915330 /nfs/dbraw/zinc/91/53/30/383915330.db2.gz XWEMFYXEDZLMFA-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Nc1nc(-c2cc(-c3ccco3)ccn2)ns1 ZINC000067173740 383915566 /nfs/dbraw/zinc/91/55/66/383915566.db2.gz LIZWKGXOEVJHHF-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN Cc1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000054766992 383919213 /nfs/dbraw/zinc/91/92/13/383919213.db2.gz ORTUWNKZTOADEO-UHFFFAOYSA-N 0 0 213.284 2.075 10 0 BEAERN O=C(/C=C1\CCc2cc(F)ccc21)NC1CC1 ZINC000027329626 383924828 /nfs/dbraw/zinc/92/48/28/383924828.db2.gz AGBZWCQPXBMUNS-CSKARUKUSA-N 0 0 231.270 2.434 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCc2cccc(F)c2C1 ZINC000158467454 383980139 /nfs/dbraw/zinc/98/01/39/383980139.db2.gz KJCHEIXXHSVWPT-RNCFNFMXSA-N 0 0 248.301 2.302 10 0 BEAERN O=C(c1ccncc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000336482530 383982876 /nfs/dbraw/zinc/98/28/76/383982876.db2.gz BHFPHAPTXZIYBH-GZMMTYOYSA-N 0 0 236.702 2.360 10 0 BEAERN COc1cc(C#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575649844 383994991 /nfs/dbraw/zinc/99/49/91/383994991.db2.gz QFBMSUALGFWNOG-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN C[C@H](N[C@H](CO)C(F)(F)F)c1ccccc1 ZINC000068576978 383999618 /nfs/dbraw/zinc/99/96/18/383999618.db2.gz WPRAZMSOEFRBNF-WCBMZHEXSA-N 0 0 233.233 2.260 10 0 BEAERN Nc1cc(Br)cc2[nH]nc(F)c21 ZINC000089197377 383943756 /nfs/dbraw/zinc/94/37/56/383943756.db2.gz UUAOIGQDQUXBKZ-UHFFFAOYSA-N 0 0 230.040 2.047 10 0 BEAERN Nc1ccc2cnn(OCc3ccccc3)c2c1 ZINC000089197762 383943944 /nfs/dbraw/zinc/94/39/44/383943944.db2.gz NWMMNRWKDKWXDM-UHFFFAOYSA-N 0 0 239.278 2.247 10 0 BEAERN CC[C@H](C)c1nc2c(n[nH]c2C(C)C)c(=O)[nH]1 ZINC000089212065 383947300 /nfs/dbraw/zinc/94/73/00/383947300.db2.gz VHOQKNCQNRAMNY-ZETCQYMHSA-N 0 0 234.303 2.283 10 0 BEAERN CCCCC(=O)Nc1nccc2nc[nH]c21 ZINC000089203054 383947656 /nfs/dbraw/zinc/94/76/56/383947656.db2.gz AWYNTLZHKUOANU-UHFFFAOYSA-N 0 0 218.260 2.087 10 0 BEAERN CS[C@H]1C(=O)Nc2ncc(Cl)cc21 ZINC000089222157 383949308 /nfs/dbraw/zinc/94/93/08/383949308.db2.gz JGRGYAIREVLEAJ-ZCFIWIBFSA-N 0 0 214.677 2.091 10 0 BEAERN O=C(Nc1nccc2[nH]ccc21)c1ccccc1 ZINC000089220723 383949923 /nfs/dbraw/zinc/94/99/23/383949923.db2.gz KBCRJDJJBKLLHZ-UHFFFAOYSA-N 0 0 237.262 2.237 10 0 BEAERN C[C@@H](N[C@@H](CO)C(F)(F)F)c1ccccc1 ZINC000068576972 384000414 /nfs/dbraw/zinc/00/04/14/384000414.db2.gz WPRAZMSOEFRBNF-SCZZXKLOSA-N 0 0 233.233 2.260 10 0 BEAERN Nc1nc2cnc(C(F)(F)F)cc2s1 ZINC000089229249 383951429 /nfs/dbraw/zinc/95/14/29/383951429.db2.gz NGENSIZADFVCDM-UHFFFAOYSA-N 0 0 219.191 2.292 10 0 BEAERN N#Cc1ccc(F)c(OC(F)(F)F)c1CO ZINC000575648942 383952796 /nfs/dbraw/zinc/95/27/96/383952796.db2.gz RRNIADYWFQGBIO-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN COC[C@@H](N)c1nc(C2CCCCCC2)no1 ZINC000159353689 384004137 /nfs/dbraw/zinc/00/41/37/384004137.db2.gz PKQDVCAARHBPGP-SNVBAGLBSA-N 0 0 239.319 2.154 10 0 BEAERN COC(=O)Nc1c(N)cccc1Cl ZINC000050352853 384006903 /nfs/dbraw/zinc/00/69/03/384006903.db2.gz XZLRTQHBIWIEIY-UHFFFAOYSA-N 0 0 200.625 2.101 10 0 BEAERN Nc1cc(Cl)ccc1Cn1ccnc1 ZINC000050443294 384043121 /nfs/dbraw/zinc/04/31/21/384043121.db2.gz ZLSMAYMPAJINFM-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cscn1 ZINC000075371779 384047712 /nfs/dbraw/zinc/04/77/12/384047712.db2.gz NDBWPRVRSONQCB-JGVFFNPUSA-N 0 0 210.302 2.062 10 0 BEAERN Nc1ccc(Cl)c(OC[C@@H]2CCCO2)c1 ZINC000069635073 384050596 /nfs/dbraw/zinc/05/05/96/384050596.db2.gz ARSPICZVXODHOC-VIFPVBQESA-N 0 0 227.691 2.480 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@@H](C)C[C@H]2C)n1 ZINC000336509660 384032096 /nfs/dbraw/zinc/03/20/96/384032096.db2.gz BRRMHDHHUQWBHW-JGVFFNPUSA-N 0 0 223.295 2.467 10 0 BEAERN Cc1csc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C)n1 ZINC000075977549 384042503 /nfs/dbraw/zinc/04/25/03/384042503.db2.gz BPMOBSWXXIGHRR-CNUIFLNQSA-N 0 0 239.344 2.220 10 0 BEAERN Cc1cc(OC(F)F)c(C)cc1CO ZINC000575652109 384083102 /nfs/dbraw/zinc/08/31/02/384083102.db2.gz AQGPYWJCHNAWIL-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN Cc1cc(CO)c(C)c(OC(F)F)c1 ZINC000575652194 384084946 /nfs/dbraw/zinc/08/49/46/384084946.db2.gz BWUHQDZLRXZBLF-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN COC(=O)Cc1c(F)c(Cl)ccc1OC ZINC000259873255 384055854 /nfs/dbraw/zinc/05/58/54/384055854.db2.gz AQPFILBVACXOLG-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN CCN(C(=O)[C@H]1CCCO1)[C@H](C)c1cccnc1 ZINC000115230223 384072972 /nfs/dbraw/zinc/07/29/72/384072972.db2.gz VOXJSJBVOFANPV-DGCLKSJQSA-N 0 0 248.326 2.170 10 0 BEAERN CCN(C(C)=O)c1cnc(C=O)c2ccccc21 ZINC000039042527 384100671 /nfs/dbraw/zinc/10/06/71/384100671.db2.gz SYHFGMDNKUBUKN-UHFFFAOYSA-N 0 0 242.278 2.420 10 0 BEAERN CCOCN(C(C)=O)c1ccccc1C ZINC000039105647 384107049 /nfs/dbraw/zinc/10/70/49/384107049.db2.gz XHNZRGDYXOJJAK-UHFFFAOYSA-N 0 0 207.273 2.342 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1snc(N)c1C1CC1 ZINC000235307058 384109088 /nfs/dbraw/zinc/10/90/88/384109088.db2.gz JUCSGXZXNBMXOH-VDTYLAMSSA-N 0 0 209.318 2.423 10 0 BEAERN CCN(CC)c1oc(C(=O)OC)c2ccncc21 ZINC000039127513 384109496 /nfs/dbraw/zinc/10/94/96/384109496.db2.gz POTJQZDXENBJBY-UHFFFAOYSA-N 0 0 248.282 2.461 10 0 BEAERN Brc1noc(-c2ccco2)n1 ZINC000156581916 384110992 /nfs/dbraw/zinc/11/09/92/384110992.db2.gz NHBAISPWZNQNND-UHFFFAOYSA-N 0 0 215.006 2.092 10 0 BEAERN Brc1noc(Cc2cccs2)n1 ZINC000156581496 384111180 /nfs/dbraw/zinc/11/11/80/384111180.db2.gz FOYSLRBQNNTCJB-UHFFFAOYSA-N 0 0 245.101 2.484 10 0 BEAERN CSc1ccc2ncnc(Cl)c2n1 ZINC000091301578 384115568 /nfs/dbraw/zinc/11/55/68/384115568.db2.gz WBWKJHLDHMYKBE-UHFFFAOYSA-N 0 0 211.677 2.400 10 0 BEAERN Cc1cc(OC(F)F)cc(CO)c1C ZINC000575652996 384116274 /nfs/dbraw/zinc/11/62/74/384116274.db2.gz PKIZKXFJMCMVLL-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN CCCCCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116118049 384118768 /nfs/dbraw/zinc/11/87/68/384118768.db2.gz UPWGQGGJCWOOJS-LBPRGKRZSA-N 0 0 249.358 2.316 10 0 BEAERN Cc1ccnc(Nc2ccc3c(c2)OCO3)n1 ZINC000072416559 384117295 /nfs/dbraw/zinc/11/72/95/384117295.db2.gz BWGJIGNWVWIXOZ-UHFFFAOYSA-N 0 0 229.239 2.257 10 0 BEAERN CCC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O ZINC000005591517 384120203 /nfs/dbraw/zinc/12/02/03/384120203.db2.gz SUHFCQQZHGGGKK-NSHDSACASA-N 0 0 248.351 2.072 10 0 BEAERN Cc1ccc(CCNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000116428851 384137312 /nfs/dbraw/zinc/13/73/12/384137312.db2.gz ZNMXTABVMQBRBL-YPMHNXCESA-N 0 0 232.327 2.245 10 0 BEAERN O=c1[nH]ncc(OC2CCCCC2)c1Cl ZINC000091366061 384123213 /nfs/dbraw/zinc/12/32/13/384123213.db2.gz GLZDFIIHPOGQPG-UHFFFAOYSA-N 0 0 228.679 2.135 10 0 BEAERN C[C@@H](NCc1ccccn1)c1nccs1 ZINC000070621419 384123791 /nfs/dbraw/zinc/12/37/91/384123791.db2.gz BUFLFHVSRCFTJC-SECBINFHSA-N 0 0 219.313 2.389 10 0 BEAERN O=C1Cc2cc(-c3cccs3)cnc2N1 ZINC000091366326 384124136 /nfs/dbraw/zinc/12/41/36/384124136.db2.gz MQNYFYRAWCABFV-UHFFFAOYSA-N 0 0 216.265 2.305 10 0 BEAERN C[C@@H](NCc1ccncc1)c1nccs1 ZINC000070621427 384124484 /nfs/dbraw/zinc/12/44/84/384124484.db2.gz ZGKCTZUFSUFCMU-SECBINFHSA-N 0 0 219.313 2.389 10 0 BEAERN FC(F)(F)c1ccc(N2CCNC2=S)cc1 ZINC000071606966 384172619 /nfs/dbraw/zinc/17/26/19/384172619.db2.gz IMGHHPBKJUIEHF-UHFFFAOYSA-N 0 0 246.257 2.400 10 0 BEAERN CCc1c(O)ccc(CO)c1OC(F)F ZINC000575653971 384159763 /nfs/dbraw/zinc/15/97/63/384159763.db2.gz RXAHSLNUTCXAEW-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(F)c(OC(F)F)cc1CO ZINC000575654024 384163075 /nfs/dbraw/zinc/16/30/75/384163075.db2.gz SYHGQYRPRWRERG-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN Cc1csc(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000294986959 384179281 /nfs/dbraw/zinc/17/92/81/384179281.db2.gz OGAPQKUSEMDBFV-AOOOYVTPSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1cnn(CCNC(=O)C2CCCCCC2)c1 ZINC000117808825 384181338 /nfs/dbraw/zinc/18/13/38/384181338.db2.gz WWWHCDYMFJFZFV-UHFFFAOYSA-N 0 0 249.358 2.278 10 0 BEAERN Cn1nc(C(F)(F)F)cc1OC(F)F ZINC000071974104 384191766 /nfs/dbraw/zinc/19/17/66/384191766.db2.gz DLWVOWQFNAIZHY-UHFFFAOYSA-N 0 0 216.109 2.040 10 0 BEAERN CCCCOCC(=O)N(C)Cc1ccc(C)o1 ZINC000118304357 384197441 /nfs/dbraw/zinc/19/74/41/384197441.db2.gz AWMKKDJLVYLHRR-UHFFFAOYSA-N 0 0 239.315 2.363 10 0 BEAERN O=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000072179005 384198511 /nfs/dbraw/zinc/19/85/11/384198511.db2.gz CDVNHFMDFXOJIM-UHFFFAOYSA-N 0 0 242.065 2.387 10 0 BEAERN O=C(c1cccs1)N1CCCSCC1 ZINC000060833805 384199007 /nfs/dbraw/zinc/19/90/07/384199007.db2.gz PZZQXBHIEKHASS-UHFFFAOYSA-N 0 0 227.354 2.327 10 0 BEAERN COC(=O)c1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000072195039 384200458 /nfs/dbraw/zinc/20/04/58/384200458.db2.gz BBPNHHDNFRUHRJ-MRVPVSSYSA-N 0 0 233.189 2.035 10 0 BEAERN COC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000088162535 384234430 /nfs/dbraw/zinc/23/44/30/384234430.db2.gz AHPWAAINTFLQLH-WDEREUQCSA-N 0 0 221.300 2.207 10 0 BEAERN COC(=O)c1ccccc1NC1CCOCC1 ZINC000036304622 384234802 /nfs/dbraw/zinc/23/48/02/384234802.db2.gz OKDRNWAVFUBZFJ-UHFFFAOYSA-N 0 0 235.283 2.064 10 0 BEAERN CCCC(=O)Nc1ncc(C(C)=O)s1 ZINC000118683755 384209210 /nfs/dbraw/zinc/20/92/10/384209210.db2.gz KNBOCNHRSMBFAU-UHFFFAOYSA-N 0 0 212.274 2.084 10 0 BEAERN Cc1n[nH]cc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000093438515 384240623 /nfs/dbraw/zinc/24/06/23/384240623.db2.gz LWKIHDUIEFAQCT-CYBMUJFWSA-N 0 0 245.330 2.168 10 0 BEAERN C[C@H](O)/C=C/[C@@H]1[C@@H](C)C[C@@H](O)CC1(C)C ZINC000014587843 384243749 /nfs/dbraw/zinc/24/37/49/384243749.db2.gz WIYDYJDQKNCJRC-OYJHFTGJSA-N 0 0 212.333 2.357 10 0 BEAERN CO[C@H](C)C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000115276900 384258616 /nfs/dbraw/zinc/25/86/16/384258616.db2.gz JAPXHOLVJDDVBY-IJLUTSLNSA-N 0 0 227.348 2.354 10 0 BEAERN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]12 ZINC000012410208 384319338 /nfs/dbraw/zinc/31/93/38/384319338.db2.gz ZCJHLBHJGLCVRU-GUUDVVMISA-N 0 0 240.302 2.015 10 0 BEAERN CCOc1cc(F)cc(CO)c1OC(F)F ZINC000575655035 384320913 /nfs/dbraw/zinc/32/09/13/384320913.db2.gz GYSLIARLNHUMFL-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Cc1[nH]nc2nc(C(F)(F)F)ccc12 ZINC000097758360 384282582 /nfs/dbraw/zinc/28/25/82/384282582.db2.gz CBBDIIWXYTXIRO-UHFFFAOYSA-N 0 0 201.151 2.285 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@H](C)CO)c(C)c1 ZINC000133441451 384293062 /nfs/dbraw/zinc/29/30/62/384293062.db2.gz ZJVKHLWTSXVHGK-VXGBXAGGSA-N 0 0 235.327 2.050 10 0 BEAERN CSCCOc1cc(Cl)ccc1C(N)=O ZINC000134215469 384340921 /nfs/dbraw/zinc/34/09/21/384340921.db2.gz FKOSBVDWTISLDN-UHFFFAOYSA-N 0 0 245.731 2.181 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000134269691 384343781 /nfs/dbraw/zinc/34/37/81/384343781.db2.gz BUICSGJONWUGLL-BXKDBHETSA-N 0 0 244.294 2.075 10 0 BEAERN CCOc1cc(O)c(C=O)cc1OC(F)F ZINC000575655266 384350624 /nfs/dbraw/zinc/35/06/24/384350624.db2.gz BIHSADCFIMUUBR-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)CCOc1ccccc1 ZINC000075982502 384351817 /nfs/dbraw/zinc/35/18/17/384351817.db2.gz YQVNHSVOVIXAJZ-YPMHNXCESA-N 0 0 248.326 2.115 10 0 BEAERN COC(=O)c1ccccc1CN(C)C(F)(F)F ZINC000095076116 384353712 /nfs/dbraw/zinc/35/37/12/384353712.db2.gz BYJKLNRKKHOVMT-UHFFFAOYSA-N 0 0 247.216 2.425 10 0 BEAERN O=Cc1cn2cccc(C(F)(F)F)c2n1 ZINC000095093461 384362561 /nfs/dbraw/zinc/36/25/61/384362561.db2.gz KQBDUKONTISXET-UHFFFAOYSA-N 0 0 214.146 2.166 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncnc2sccc21 ZINC000134574158 384367675 /nfs/dbraw/zinc/36/76/75/384367675.db2.gz LTRYVXXGTIRXPW-APPZFPTMSA-N 0 0 235.312 2.281 10 0 BEAERN O=C(C1CC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000120725552 384374887 /nfs/dbraw/zinc/37/48/87/384374887.db2.gz VSUCHVGLTAEYAK-LLVKDONJSA-N 0 0 237.324 2.058 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000134570379 384368162 /nfs/dbraw/zinc/36/81/62/384368162.db2.gz OBKWBCGLPAASKB-APPZFPTMSA-N 0 0 212.680 2.324 10 0 BEAERN CC(C)(C)c1cn2cccc(CO)c2n1 ZINC000075409363 384324041 /nfs/dbraw/zinc/32/40/41/384324041.db2.gz OUIJEZCDTSHSNY-UHFFFAOYSA-N 0 0 204.273 2.124 10 0 BEAERN Cc1ccc(F)cc1C(=O)N[C@H]1C[C@@H]1C ZINC000075521569 384329207 /nfs/dbraw/zinc/32/92/07/384329207.db2.gz JDXNACSIAOKRAL-KWQFWETISA-N 0 0 207.248 2.272 10 0 BEAERN Cc1ccc(C(=O)CCC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075527671 384329456 /nfs/dbraw/zinc/32/94/56/384329456.db2.gz TUJAWZSVUNVPMV-WCQYABFASA-N 0 0 245.322 2.483 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000075526571 384330520 /nfs/dbraw/zinc/33/05/20/384330520.db2.gz DRJORKRWXKTAGE-LDWIPMOCSA-N 0 0 211.211 2.103 10 0 BEAERN [NH3+][C@H](CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000095749295 384393355 /nfs/dbraw/zinc/39/33/55/384393355.db2.gz DLEUTYGDMYCFQF-CYBMUJFWSA-N 0 0 229.279 2.184 10 0 BEAERN COc1c(C)ccc(OC(F)F)c1O ZINC000575664583 384426090 /nfs/dbraw/zinc/42/60/90/384426090.db2.gz IXDSPSYWXNSLIU-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121381173 384414546 /nfs/dbraw/zinc/41/45/46/384414546.db2.gz SWTKOZHWWFSEAJ-LLVKDONJSA-N 0 0 219.284 2.425 10 0 BEAERN Cc1nc(Br)c(C(F)(F)F)[nH]1 ZINC000095935681 384415496 /nfs/dbraw/zinc/41/54/96/384415496.db2.gz BHHMSBLBLRIKBA-UHFFFAOYSA-N 0 0 228.999 2.499 10 0 BEAERN COC(=O)c1cc(O)c2c(OC)ccc(O)c2c1 ZINC000095937622 384416301 /nfs/dbraw/zinc/41/63/01/384416301.db2.gz ZJSQEZDZRAKLFM-UHFFFAOYSA-N 0 0 248.234 2.046 10 0 BEAERN Cc1cnccc1NC(=O)N(C)C[C@@H]1CCCO1 ZINC000121445140 384416960 /nfs/dbraw/zinc/41/69/60/384416960.db2.gz UIKNMRHAABYNAG-NSHDSACASA-N 0 0 249.314 2.033 10 0 BEAERN CCn1ccnc1CS[C@H](C)COC ZINC000175301638 384422912 /nfs/dbraw/zinc/42/29/12/384422912.db2.gz KMPZDTYGUSIKQU-SECBINFHSA-N 0 0 214.334 2.171 10 0 BEAERN COC[C@H](C)C(=O)NCC(C)(C)CC(C)C ZINC000175350172 384424825 /nfs/dbraw/zinc/42/48/25/384424825.db2.gz WRYQCYAMSFLNAQ-NSHDSACASA-N 0 0 229.364 2.457 10 0 BEAERN c1nc(-c2nc3ccccc3s2)no1 ZINC000045237759 384382424 /nfs/dbraw/zinc/38/24/24/384382424.db2.gz ZEUFWRBCUDCSFJ-UHFFFAOYSA-N 0 0 203.226 2.346 10 0 BEAERN C[C@@H](NC=O)c1nc2ccccc2s1 ZINC000045238145 384383879 /nfs/dbraw/zinc/38/38/79/384383879.db2.gz IRPCRCUTVFMKAU-SSDOTTSWSA-N 0 0 206.270 2.103 10 0 BEAERN CCOc1ccc(OC(F)F)c(CO)c1C ZINC000575657652 384385422 /nfs/dbraw/zinc/38/54/22/384385422.db2.gz PPPPVNDLKUYZMY-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN Cc1cc(C(F)F)cc(C=O)c1CO ZINC000575669503 384453788 /nfs/dbraw/zinc/45/37/88/384453788.db2.gz YLFCKWOSZHWICS-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN C[C@@H](O)CCN(C)c1ccc2ccccc2n1 ZINC000135258342 384428617 /nfs/dbraw/zinc/42/86/17/384428617.db2.gz SLXFHPKNCCNDOW-LLVKDONJSA-N 0 0 230.311 2.442 10 0 BEAERN COc1c(C)cc(OC(F)F)cc1CO ZINC000575664985 384428982 /nfs/dbraw/zinc/42/89/82/384428982.db2.gz MZHNMBQWCSXPSK-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN CC[C@H](NC(=O)c1ccncc1F)C(C)C ZINC000078095899 384431517 /nfs/dbraw/zinc/43/15/17/384431517.db2.gz KOZFKLJRQYGVGP-NSHDSACASA-N 0 0 224.279 2.385 10 0 BEAERN Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC2(C)C)cn1 ZINC000121788677 384440054 /nfs/dbraw/zinc/44/00/54/384440054.db2.gz UKKIDWFGLNFZQH-VXGBXAGGSA-N 0 0 247.342 2.130 10 0 BEAERN O=C(CCc1ccccc1O)NOC1CCCC1 ZINC000135687383 384460216 /nfs/dbraw/zinc/46/02/16/384460216.db2.gz WPBVCOOFBYWIIV-UHFFFAOYSA-N 0 0 249.310 2.315 10 0 BEAERN Cn1ccc(COc2ccc3[nH]ccc3c2)n1 ZINC000212003894 384462398 /nfs/dbraw/zinc/46/23/98/384462398.db2.gz DRPZUXOPQBAWRS-UHFFFAOYSA-N 0 0 227.267 2.480 10 0 BEAERN Cc1ccc([C@@H](C)NCc2csnn2)o1 ZINC000036960567 384466092 /nfs/dbraw/zinc/46/60/92/384466092.db2.gz BXEQJAWWXHVJTC-MRVPVSSYSA-N 0 0 223.301 2.290 10 0 BEAERN Cc1nc([C@@H]2NC[C@@H](C)CS2)cs1 ZINC000126791831 384471283 /nfs/dbraw/zinc/47/12/83/384471283.db2.gz PDZOQTLVURCQBM-HZGVNTEJSA-N 0 0 214.359 2.423 10 0 BEAERN CNc1nc(Cl)ncc1C(F)(F)F ZINC000079066994 384483267 /nfs/dbraw/zinc/48/32/67/384483267.db2.gz DBZWBBJKHCGBCI-UHFFFAOYSA-N 0 0 211.574 2.191 10 0 BEAERN Cc1ccc2c(Br)[nH]nc2n1 ZINC000079063909 384483434 /nfs/dbraw/zinc/48/34/34/384483434.db2.gz IGYMSXBDAXPSTL-UHFFFAOYSA-N 0 0 212.050 2.029 10 0 BEAERN COC(=O)Cc1cc(OC)c(C)cc1C ZINC000575678613 384497908 /nfs/dbraw/zinc/49/79/08/384497908.db2.gz IKZRJRINGLDQOJ-UHFFFAOYSA-N 0 0 208.257 2.028 10 0 BEAERN c1ccc(CNCc2nc3ccccc3[nH]2)nc1 ZINC000048409044 384488776 /nfs/dbraw/zinc/48/87/76/384488776.db2.gz HEDITARCWOQHLU-UHFFFAOYSA-N 0 0 238.294 2.248 10 0 BEAERN Nc1c(Cl)cnn1[C@H]1CCCSC1 ZINC000061589763 384519588 /nfs/dbraw/zinc/51/95/88/384519588.db2.gz HWTXYOBYSZQGRN-LURJTMIESA-N 0 0 217.725 2.187 10 0 BEAERN C[C@H](COCc1ccccc1)Nc1ncccn1 ZINC000172780894 384523372 /nfs/dbraw/zinc/52/33/72/384523372.db2.gz RVEJWWAUVHYLGF-GFCCVEGCSA-N 0 0 243.310 2.494 10 0 BEAERN Nc1cnc(C(F)(F)F)c(Br)c1 ZINC000258313822 384563561 /nfs/dbraw/zinc/56/35/61/384563561.db2.gz QZRGMMMGGZSPDU-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccsc1 ZINC000137835831 384549941 /nfs/dbraw/zinc/54/99/41/384549941.db2.gz COGFKPMCVIIOHY-CBAPKCEASA-N 0 0 226.301 2.047 10 0 BEAERN COC(=O)Cc1cc(OC)cc(Cl)c1F ZINC000261041930 384554313 /nfs/dbraw/zinc/55/43/13/384554313.db2.gz HWQLDNKYPRVNIJ-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN Cc1ccnc(NC(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000184071454 384559954 /nfs/dbraw/zinc/55/99/54/384559954.db2.gz VKIBQXRXIKUZCQ-GHMZBOCLSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1ccnc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000184071435 384560653 /nfs/dbraw/zinc/56/06/53/384560653.db2.gz VKIBQXRXIKUZCQ-WDEREUQCSA-N 0 0 249.314 2.079 10 0 BEAERN CCOC(=O)C1(c2ccc(OC)cc2)CC1 ZINC000258455681 384590315 /nfs/dbraw/zinc/59/03/15/384590315.db2.gz LZAJPQJJNDZLSN-UHFFFAOYSA-N 0 0 220.268 2.290 10 0 BEAERN Clc1cnccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000084084839 384570830 /nfs/dbraw/zinc/57/08/30/384570830.db2.gz AFWRDEXOPIGRHW-NSHDSACASA-N 0 0 240.734 2.394 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cn(C)nc2C)o1 ZINC000123601161 384571245 /nfs/dbraw/zinc/57/12/45/384571245.db2.gz IEXLAASRNPKRRO-LLVKDONJSA-N 0 0 233.315 2.481 10 0 BEAERN Cc1ccc(F)c(OCC(=O)N[C@H]2C[C@H]2C)c1 ZINC000162136171 384575489 /nfs/dbraw/zinc/57/54/89/384575489.db2.gz CNMIEKCHGHFLHF-KOLCDFICSA-N 0 0 237.274 2.038 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cncc(N[C@@H]2C[C@@H]2C)n1 ZINC000309752866 384583288 /nfs/dbraw/zinc/58/32/88/384583288.db2.gz HBNIVOHTWVXVHQ-FIRGSJFUSA-N 0 0 218.304 2.117 10 0 BEAERN Cc1cccc(CCNC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000151318517 384565424 /nfs/dbraw/zinc/56/54/24/384565424.db2.gz AMACVCJQNVYWSZ-OCCSQVGLSA-N 0 0 247.338 2.221 10 0 BEAERN CCOC(=O)C(=O)c1ccc(C)cc1Cl ZINC000258326479 384565495 /nfs/dbraw/zinc/56/54/95/384565495.db2.gz CLYRPZGMJVIZMZ-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN COC[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000103355906 384607564 /nfs/dbraw/zinc/60/75/64/384607564.db2.gz LOQUNFBHKTZOOM-JTQLQIEISA-N 0 0 213.321 2.060 10 0 BEAERN CCc1ccc(NC(=O)[C@@H](C)COC)cc1 ZINC000103357245 384608391 /nfs/dbraw/zinc/60/83/91/384608391.db2.gz VDDQKNZRFYUTKN-JTQLQIEISA-N 0 0 221.300 2.470 10 0 BEAERN COC[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000103365367 384609477 /nfs/dbraw/zinc/60/94/77/384609477.db2.gz YOFVOXBYUHEPPR-GARJFASQSA-N 0 0 213.321 2.058 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000103364104 384609552 /nfs/dbraw/zinc/60/95/52/384609552.db2.gz DJKDUMDZKUDPKA-WRWGMCAJSA-N 0 0 227.348 2.210 10 0 BEAERN CC(C)(C)OC(=O)[C@@](C)(N)c1ccccc1 ZINC000052880815 384611131 /nfs/dbraw/zinc/61/11/31/384611131.db2.gz SMFLSCJHGMOWSS-ZDUSSCGKSA-N 0 0 221.300 2.202 10 0 BEAERN CCO[C@@H](C)O[C@@H](C)CO[C@@H](C)OCC ZINC000100051224 384612863 /nfs/dbraw/zinc/61/28/63/384612863.db2.gz TZVJNJVDGXFMCF-GARJFASQSA-N 0 0 220.309 2.173 10 0 endogenous,in-man BEAERN OC1CC(CNc2nc3ccccc3s2)C1 ZINC000084448879 384627259 /nfs/dbraw/zinc/62/72/59/384627259.db2.gz GOBADTQQCYOKBO-UHFFFAOYSA-N 0 0 234.324 2.479 10 0 BEAERN CCC(CC)[S@](=O)CC(=O)NC(C)(C)CC ZINC000108134243 384629208 /nfs/dbraw/zinc/62/92/08/384629208.db2.gz QSGUHOHJIPOWOO-INIZCTEOSA-N 0 0 247.404 2.229 10 0 BEAERN CCN(C(C)=O)[C@H]1CCc2ccccc2C1 ZINC000098178947 384598545 /nfs/dbraw/zinc/59/85/45/384598545.db2.gz FXLFTEVUBJDALN-AWEZNQCLSA-N 0 0 217.312 2.412 10 0 BEAERN COC(=O)c1cnc(OC)c(-c2ccco2)c1 ZINC000098178950 384599860 /nfs/dbraw/zinc/59/98/60/384599860.db2.gz QFGVHQCIPJMFRI-UHFFFAOYSA-N 0 0 233.223 2.137 10 0 BEAERN O=C(CC1=CCCCC1)N[C@@H]1CCCC[C@@H]1O ZINC000104106723 384663982 /nfs/dbraw/zinc/66/39/82/384663982.db2.gz RRJRERWPGYGIRW-OLZOCXBDSA-N 0 0 237.343 2.297 10 0 BEAERN c1c2ccccc2[nH]c1N1CCOCC1 ZINC000140006903 384636399 /nfs/dbraw/zinc/63/63/99/384636399.db2.gz YKPHXDGWZIGKMM-UHFFFAOYSA-N 0 0 202.257 2.005 10 0 BEAERN COC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103715335 384637421 /nfs/dbraw/zinc/63/74/21/384637421.db2.gz GKKFFRMGPVLPJH-UHFFFAOYSA-N 0 0 219.215 2.403 10 0 BEAERN Nc1nc2ccc(-c3cccs3)cn2n1 ZINC000082046943 384644420 /nfs/dbraw/zinc/64/44/20/384644420.db2.gz KRGRFZMNXDXVEP-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CC(C)n1ccnc1CS[C@@H](C)CO ZINC000172985685 384644708 /nfs/dbraw/zinc/64/47/08/384644708.db2.gz NOBUFEAWYMREKB-VIFPVBQESA-N 0 0 214.334 2.078 10 0 BEAERN COC(=O)[C@](C)(N)Cc1ccc2ccccc2c1 ZINC000034147243 384658016 /nfs/dbraw/zinc/65/80/16/384658016.db2.gz VQRFJJGBBKYJKC-OAHLLOKOSA-N 0 0 243.306 2.273 10 0 BEAERN CCOC(=O)c1c[nH]cc(-c2ccccc2)c1=O ZINC000039255837 384677436 /nfs/dbraw/zinc/67/74/36/384677436.db2.gz MBBOTGYURVQWIF-UHFFFAOYSA-N 0 0 243.262 2.219 10 0 BEAERN CCOc1cc(C)c(CC)c(C(N)=O)c1 ZINC000575697047 384679432 /nfs/dbraw/zinc/67/94/32/384679432.db2.gz RHKFCUWFQIGPCX-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)c(C)c1 ZINC000051989519 384706358 /nfs/dbraw/zinc/70/63/58/384706358.db2.gz VUYKHUYBXXANEK-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN CCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000051990226 384707960 /nfs/dbraw/zinc/70/79/60/384707960.db2.gz IKIBZQQFLNTAHT-KGLIPLIRSA-N 0 0 247.338 2.282 10 0 BEAERN COc1nn(C)cc1NC1CCC(C)CC1 ZINC000309903357 384711373 /nfs/dbraw/zinc/71/13/73/384711373.db2.gz IVRUXLJRZVAZJZ-UHFFFAOYSA-N 0 0 223.320 2.419 10 0 BEAERN C[C@@H](NC(=O)NCC1(C)CCC1)[C@H]1CCCO1 ZINC000176632932 384713444 /nfs/dbraw/zinc/71/34/44/384713444.db2.gz RFOSKJKOVGQVTH-GHMZBOCLSA-N 0 0 240.347 2.043 10 0 BEAERN CCc1cc(Cl)cc(N)c1C(=O)OC ZINC000142934422 384714505 /nfs/dbraw/zinc/71/45/05/384714505.db2.gz UXXGXOOHTIKGNV-UHFFFAOYSA-N 0 0 213.664 2.271 10 0 BEAERN O=C([C@H]1CSc2ccccc21)N1CCCO1 ZINC000125396612 384714748 /nfs/dbraw/zinc/71/47/48/384714748.db2.gz BSQUYLJLMOPSDO-JTQLQIEISA-N 0 0 235.308 2.040 10 0 BEAERN CCc1cc(C(F)(F)F)c(C(N)=O)cc1C=O ZINC000575703654 384775827 /nfs/dbraw/zinc/77/58/27/384775827.db2.gz YBOUZFYNBNTTEL-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN CCOC(=O)c1c(O)cc(OC)cc1Cl ZINC000575700323 384737251 /nfs/dbraw/zinc/73/72/51/384737251.db2.gz HKLNJKTUFBBLTI-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN C[C@H](NCc1cn[nH]n1)c1ccc(Cl)s1 ZINC000398327657 384738270 /nfs/dbraw/zinc/73/82/70/384738270.db2.gz GJNVEOSCFQPCRO-LURJTMIESA-N 0 0 242.735 2.370 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000125701909 384740262 /nfs/dbraw/zinc/74/02/62/384740262.db2.gz SMFIAJWIAQHTON-MNOVXSKESA-N 0 0 227.348 2.354 10 0 BEAERN Nc1nc(C(F)(F)F)nc2cc(F)ccc12 ZINC000083119151 384743586 /nfs/dbraw/zinc/74/35/86/384743586.db2.gz OHHSMMPFWHZEBN-UHFFFAOYSA-N 0 0 231.152 2.370 10 0 BEAERN CSCCC(=O)NCC1(C)CCCC1 ZINC000108753967 384745046 /nfs/dbraw/zinc/74/50/46/384745046.db2.gz YQBIBLSIODYVAE-UHFFFAOYSA-N 0 0 215.362 2.436 10 0 BEAERN CCC[C@H]1Sc2ccc(N)cc2NC1=O ZINC000057352811 384746297 /nfs/dbraw/zinc/74/62/97/384746297.db2.gz GCGUMYNOUUIVSY-SNVBAGLBSA-N 0 0 222.313 2.482 10 0 BEAERN CCC[C@@H]1Sc2ccc(N)cc2NC1=O ZINC000057352812 384746937 /nfs/dbraw/zinc/74/69/37/384746937.db2.gz GCGUMYNOUUIVSY-JTQLQIEISA-N 0 0 222.313 2.482 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000300393906 384747749 /nfs/dbraw/zinc/74/77/49/384747749.db2.gz FYMHFUIYPKWWGX-SRVKXCTJSA-N 0 0 227.348 2.090 10 0 BEAERN COC(=O)Nc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000103085177 384747890 /nfs/dbraw/zinc/74/78/90/384747890.db2.gz SZGZFEBUHDNNMF-KWQFWETISA-N 0 0 248.282 2.003 10 0 BEAERN CC(C)(C(=O)N[C@@H]1CCC[C@H](O)C1)C1CCC1 ZINC000648156737 384749905 /nfs/dbraw/zinc/74/99/05/384749905.db2.gz ZNULWWILFYNDTA-NEPJUHHUSA-N 0 0 239.359 2.232 10 0 BEAERN COc1cc(Cl)c(Cl)cc1CO ZINC000083223891 384755752 /nfs/dbraw/zinc/75/57/52/384755752.db2.gz GHSPTQHRCCDQIN-UHFFFAOYSA-N 0 0 207.056 2.494 10 0 BEAERN Clc1ccc(-c2ncnc(Cl)n2)cn1 ZINC000144356394 384757504 /nfs/dbraw/zinc/75/75/04/384757504.db2.gz UQGVCTACNLHUSH-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN Cc1cc(C)c(-n2[nH]c(N)cc2=O)c(Cl)c1 ZINC000144373749 384757609 /nfs/dbraw/zinc/75/76/09/384757609.db2.gz OVFKTARDMBRJEG-UHFFFAOYSA-N 0 0 237.690 2.018 10 0 BEAERN CCc1c(OC)ccc(C(N)=O)c1SC ZINC000575702673 384759792 /nfs/dbraw/zinc/75/97/92/384759792.db2.gz IBZBDJJNMCCPRJ-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000103358941 384765141 /nfs/dbraw/zinc/76/51/41/384765141.db2.gz IZKBDKWMJAQQOS-SNVBAGLBSA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000103357551 384765259 /nfs/dbraw/zinc/76/52/59/384765259.db2.gz LPJFPBHWLFMAMO-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000103359233 384765355 /nfs/dbraw/zinc/76/53/55/384765355.db2.gz NHTXDKJDLRPNRZ-SNVBAGLBSA-N 0 0 239.290 2.067 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000103373464 384765469 /nfs/dbraw/zinc/76/54/69/384765469.db2.gz CPMHOPIJUGPJAS-QMMMGPOBSA-N 0 0 241.262 2.055 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccc(C)cc1C ZINC000103372915 384765618 /nfs/dbraw/zinc/76/56/18/384765618.db2.gz GRCSAKKPTMEWMA-LBPRGKRZSA-N 0 0 235.327 2.202 10 0 BEAERN CCN(CC)c1c(N)ccc(F)c1F ZINC000053162802 384766418 /nfs/dbraw/zinc/76/64/18/384766418.db2.gz CLMCLDHFRFZBAN-UHFFFAOYSA-N 0 0 200.232 2.393 10 0 BEAERN COC[C@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000103389646 384767437 /nfs/dbraw/zinc/76/74/37/384767437.db2.gz XPCQGYURMUOJRC-ZETCQYMHSA-N 0 0 230.210 2.153 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000103381126 384768423 /nfs/dbraw/zinc/76/84/23/384768423.db2.gz MUDFPWCWWAGSNQ-QMMMGPOBSA-N 0 0 241.262 2.055 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000103381129 384768546 /nfs/dbraw/zinc/76/85/46/384768546.db2.gz MUDFPWCWWAGSNQ-MRVPVSSYSA-N 0 0 241.262 2.055 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000103430439 384770740 /nfs/dbraw/zinc/77/07/40/384770740.db2.gz XDFJRBLJDJEPEW-WCBMZHEXSA-N 0 0 225.288 2.048 10 0 BEAERN Nc1ncc(-c2ccc(Cl)cn2)s1 ZINC000072204281 384819563 /nfs/dbraw/zinc/81/95/63/384819563.db2.gz WZIUTIQFIJCHIZ-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CCC(C)(C)C)C1 ZINC000335100381 384820832 /nfs/dbraw/zinc/82/08/32/384820832.db2.gz SHABYPIFHJMPII-QWRGUYRKSA-N 0 0 227.348 2.042 10 0 BEAERN CC(C)c1cc(NC(=O)[C@@]2(C)CCCO2)n[nH]1 ZINC000126718004 384824385 /nfs/dbraw/zinc/82/43/85/384824385.db2.gz YUKMNWFJUBXFBN-GFCCVEGCSA-N 0 0 237.303 2.041 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000084059579 384831971 /nfs/dbraw/zinc/83/19/71/384831971.db2.gz SNEZDGWJXSSKFS-KCJUWKMLSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1C(=O)C(C)(C)C(C)(C)C ZINC000336233725 384834966 /nfs/dbraw/zinc/83/49/66/384834966.db2.gz CGGMFOWSQVOSGY-GHMZBOCLSA-N 0 0 241.375 2.431 10 0 BEAERN Cc1c(CNc2ccc(C)cn2)cnn1C ZINC000126220006 384781533 /nfs/dbraw/zinc/78/15/33/384781533.db2.gz MLVDSBNYPPHKEF-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN Cc1nnc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000309736272 384785379 /nfs/dbraw/zinc/78/53/79/384785379.db2.gz CLWUMQTVBCPOAM-DIYOJNKTSA-N 0 0 241.360 2.462 10 0 BEAERN COC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000114086665 384785958 /nfs/dbraw/zinc/78/59/58/384785958.db2.gz JQYPNZGUZGMNHH-UHFFFAOYSA-N 0 0 236.267 2.429 10 0 BEAERN Cc1nnc(NCC2C[C@@H](C)O[C@H](C)C2)s1 ZINC000309736273 384785883 /nfs/dbraw/zinc/78/58/83/384785883.db2.gz CLWUMQTVBCPOAM-HTQZYQBOSA-N 0 0 241.360 2.462 10 0 BEAERN CCOCc1csc([C@@H](C)COC)n1 ZINC000185926786 384791090 /nfs/dbraw/zinc/79/10/90/384791090.db2.gz AZJKSQUXKBBHSK-QMMMGPOBSA-N 0 0 215.318 2.430 10 0 BEAERN Cc1nc(Cl)cc(Br)n1 ZINC000072193254 384810479 /nfs/dbraw/zinc/81/04/79/384810479.db2.gz CZJDWGYDOTYAJT-UHFFFAOYSA-N 0 0 207.458 2.201 10 0 BEAERN CCS(=O)(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103163343 384812293 /nfs/dbraw/zinc/81/22/93/384812293.db2.gz HBFJRJQQPZMYBZ-QWRGUYRKSA-N 0 0 233.377 2.141 10 0 BEAERN CSC[C@@H](C)Nc1cc(C)c(C)nn1 ZINC000302787248 384813494 /nfs/dbraw/zinc/81/34/94/384813494.db2.gz AIOKLPUJSOKYEV-MRVPVSSYSA-N 0 0 211.334 2.257 10 0 BEAERN C[C@H]1C[C@@H](O)CN(c2ncc(Cl)cc2F)C1 ZINC000335240266 384870622 /nfs/dbraw/zinc/87/06/22/384870622.db2.gz XLAOYZAINUKVQU-IONNQARKSA-N 0 0 244.697 2.081 10 0 BEAERN CSc1ccc(N[C@H](CO)CC(C)C)nn1 ZINC000301435967 384877718 /nfs/dbraw/zinc/87/77/18/384877718.db2.gz KMUODYQZCQRNHP-VIFPVBQESA-N 0 0 241.360 2.017 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2C[C@H]2C2CC2)n1 ZINC000309853377 384878801 /nfs/dbraw/zinc/87/88/01/384878801.db2.gz JQAOADQYHFITGJ-VHSXEESVSA-N 0 0 221.279 2.443 10 0 BEAERN O=C(C(F)F)[C@H]1CCCc2cccnc21 ZINC000163955966 384884638 /nfs/dbraw/zinc/88/46/38/384884638.db2.gz BMFFHPPYMPRGLB-QMMMGPOBSA-N 0 0 211.211 2.336 10 0 BEAERN Cc1cnn([C@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000105901231 384886643 /nfs/dbraw/zinc/88/66/43/384886643.db2.gz KNHBDFGIYLMQPJ-JTQLQIEISA-N 0 0 247.264 2.391 10 0 BEAERN CCCn1nc(C)c(C(=O)N[C@@H]2C[C@H]2C)c1C ZINC000126850136 384838329 /nfs/dbraw/zinc/83/83/29/384838329.db2.gz PWBWSBRKONWQMS-LDYMZIIASA-N 0 0 235.331 2.048 10 0 BEAERN Cc1cc(C)c2c3[nH]nc(N)c3cnc2c1 ZINC000072237066 384841580 /nfs/dbraw/zinc/84/15/80/384841580.db2.gz NFJKQVFCYJOPED-UHFFFAOYSA-N 0 0 212.256 2.310 10 0 BEAERN CCCCCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177777315 384847804 /nfs/dbraw/zinc/84/78/04/384847804.db2.gz LFOXMDPZRNJJNB-CYBMUJFWSA-N 0 0 249.358 2.454 10 0 BEAERN CC(=O)Nc1ccc(C)c(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000186525942 384851571 /nfs/dbraw/zinc/85/15/71/384851571.db2.gz URBCQWCBKQIZNI-TVQRCGJNSA-N 0 0 246.310 2.092 10 0 BEAERN CC[C@H]1CN(C(=O)OC(C)C)C[C@@H](C)O1 ZINC000497190491 384852612 /nfs/dbraw/zinc/85/26/12/384852612.db2.gz OJBWQHTYZLZZQG-ZJUUUORDSA-N 0 0 215.293 2.031 10 0 BEAERN CSc1ccc(NC[C@H](O)CC(C)C)nn1 ZINC000301251964 384863958 /nfs/dbraw/zinc/86/39/58/384863958.db2.gz JJAQTGZPQCMEQR-SECBINFHSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@@H](C[C@@H]1CCCO1)Nc1cncc(Cl)n1 ZINC000301146226 384864113 /nfs/dbraw/zinc/86/41/13/384864113.db2.gz AWRMHGGIAYQGHW-IUCAKERBSA-N 0 0 241.722 2.500 10 0 BEAERN CC[C@@H](C)[C@@H](O)CNc1ccc(SC)nn1 ZINC000301271138 384869178 /nfs/dbraw/zinc/86/91/78/384869178.db2.gz NMDMPKHMCDFJHH-BDAKNGLRSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@]1(Cc2ccccc2)CCCNC1=O ZINC000013760776 384869004 /nfs/dbraw/zinc/86/90/04/384869004.db2.gz CWBVUIBYTRPGGU-CYBMUJFWSA-N 0 0 203.285 2.145 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000149962116 384954628 /nfs/dbraw/zinc/95/46/28/384954628.db2.gz KJUHLIAZBXKZQD-RQJHMYQMSA-N 0 0 247.220 2.085 10 0 BEAERN Nc1cc(O)c(OC(F)F)cc1Cl ZINC000575720096 384893399 /nfs/dbraw/zinc/89/33/99/384893399.db2.gz GFQJEVJFKCANLC-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN COC[C@H](C)C(=O)Nc1c(F)cc(F)cc1F ZINC000175316138 384894023 /nfs/dbraw/zinc/89/40/23/384894023.db2.gz CTBARXXGZSWRSA-LURJTMIESA-N 0 0 247.216 2.325 10 0 BEAERN CO[C@H](C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000055700764 384894260 /nfs/dbraw/zinc/89/42/60/384894260.db2.gz JSMBMSJHBJKFGR-SSDOTTSWSA-N 0 0 234.255 2.110 10 0 BEAERN Cc1c(N)cc(O)cc1Br ZINC000575720318 384896183 /nfs/dbraw/zinc/89/61/83/384896183.db2.gz KSUBVPBWMHMOCU-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc(F)c1C ZINC000175340659 384897176 /nfs/dbraw/zinc/89/71/76/384897176.db2.gz XRDNVSAQTGURBZ-MRVPVSSYSA-N 0 0 225.263 2.355 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000150031222 384958295 /nfs/dbraw/zinc/95/82/95/384958295.db2.gz QLAVLFXDJJKGKK-RQJHMYQMSA-N 0 0 247.220 2.085 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(OCC)c1C ZINC000575723517 384900906 /nfs/dbraw/zinc/90/09/06/384900906.db2.gz BPJICPKVWNBNTC-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN COc1ccc(N)c(C)c1OC(F)F ZINC000575723832 384901200 /nfs/dbraw/zinc/90/12/00/384901200.db2.gz ZFCZXHSLRHRXFU-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1cc(C)c(N)c(OC(F)F)c1 ZINC000575723583 384902488 /nfs/dbraw/zinc/90/24/88/384902488.db2.gz QXBNLSREUXDOMJ-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN Clc1noc(Cc2cccs2)n1 ZINC000156596778 384904284 /nfs/dbraw/zinc/90/42/84/384904284.db2.gz YXKSPDCSAIJEKP-UHFFFAOYSA-N 0 0 200.650 2.375 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000127492167 384904672 /nfs/dbraw/zinc/90/46/72/384904672.db2.gz SSBXGNIDTSSLEJ-OLZOCXBDSA-N 0 0 249.354 2.497 10 0 BEAERN CCCc1nnc(NC[C@@](C)(O)C(C)C)s1 ZINC000301679358 384906508 /nfs/dbraw/zinc/90/65/08/384906508.db2.gz SBRRTOWBKJFLHZ-LLVKDONJSA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnc(NC[C@](C)(O)C(C)C)s1 ZINC000301679359 384906713 /nfs/dbraw/zinc/90/67/13/384906713.db2.gz SBRRTOWBKJFLHZ-NSHDSACASA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnc(N[C@@H]2CCCC[C@H]2O)s1 ZINC000301673479 384906832 /nfs/dbraw/zinc/90/68/32/384906832.db2.gz PECBQQKDTHUWGA-RKDXNWHRSA-N 0 0 241.360 2.206 10 0 BEAERN CCOC(=O)c1cc(CC)c(N)cc1C ZINC000575724223 384908814 /nfs/dbraw/zinc/90/88/14/384908814.db2.gz APQMGFNLPWEEST-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN COc1ccc(N)c(C(F)(F)F)c1O ZINC000575729226 384917425 /nfs/dbraw/zinc/91/74/25/384917425.db2.gz XZYBIKCJLPQIQH-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000175522371 384920765 /nfs/dbraw/zinc/92/07/65/384920765.db2.gz JPAANQWIRULVEL-WDEREUQCSA-N 0 0 237.299 2.194 10 0 BEAERN Cc1cnc(CCNc2ncc(F)cn2)s1 ZINC000301779434 384921699 /nfs/dbraw/zinc/92/16/99/384921699.db2.gz MSSLWWDZALGQAW-UHFFFAOYSA-N 0 0 238.291 2.035 10 0 BEAERN c1cc2ccc(N3CCOCC3)cc2[nH]1 ZINC000085224033 384928129 /nfs/dbraw/zinc/92/81/29/384928129.db2.gz CDGIWYMFRIJCIR-UHFFFAOYSA-N 0 0 202.257 2.005 10 0 BEAERN Cc1nsc(N[C@@H]2CCCCC[C@@H]2CO)n1 ZINC000301804005 384928596 /nfs/dbraw/zinc/92/85/96/384928596.db2.gz XOAKWYQTZFCKLV-NXEZZACHSA-N 0 0 241.360 2.200 10 0 BEAERN COc1cc(C2CCN(C(C)=O)CC2)ccc1N ZINC000085224106 384928617 /nfs/dbraw/zinc/92/86/17/384928617.db2.gz GJAFOGNDCITKSP-UHFFFAOYSA-N 0 0 248.326 2.003 10 0 BEAERN N#Cc1cc(CO)c(F)c(C(F)(F)F)c1 ZINC000575646916 384936730 /nfs/dbraw/zinc/93/67/30/384936730.db2.gz KHUHCPLWYHDTMI-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN C[C@@H](O)C(C)(C)NC(=O)c1sccc1Cl ZINC000128475964 384946991 /nfs/dbraw/zinc/94/69/91/384946991.db2.gz VGWRPTZFSYHGON-ZCFIWIBFSA-N 0 0 247.747 2.291 10 0 BEAERN CC(C)c1ccc(CC[C@H]([NH3+])C(=O)[O-])cc1 ZINC000057951932 384974479 /nfs/dbraw/zinc/97/44/79/384974479.db2.gz QXTNPVIJOCZFSN-LBPRGKRZSA-N 0 0 221.300 2.155 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2cncc(C)n2)C1 ZINC000302176586 384977745 /nfs/dbraw/zinc/97/77/45/384977745.db2.gz WNGZKIZWTPXWDG-WDEREUQCSA-N 0 0 221.304 2.155 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nccc(C(C)(C)C)n1 ZINC000310327974 384979058 /nfs/dbraw/zinc/97/90/58/384979058.db2.gz KZZNGWLJYOOFQG-UWVGGRQHSA-N 0 0 235.331 2.363 10 0 BEAERN Cc1cc(C(C)C)nc(N2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000156889832 384995387 /nfs/dbraw/zinc/99/53/87/384995387.db2.gz RCPMUFIOIHECJY-NEPJUHHUSA-N 0 0 248.374 2.095 10 0 BEAERN CC[C@H](C)CC(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000164479024 385000094 /nfs/dbraw/zinc/00/00/94/385000094.db2.gz WQGUCBOOPPHFKE-TUAOUCFPSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@]1(CO)CCC[C@H]1Nc1ncncc1Cl ZINC000302616263 385002657 /nfs/dbraw/zinc/00/26/57/385002657.db2.gz GAHVJUBHZKEBKU-MWLCHTKSSA-N 0 0 241.722 2.093 10 0 BEAERN CN(C)c1ccc2c(c1)c(C=O)cn2C ZINC000107858104 385006022 /nfs/dbraw/zinc/00/60/22/385006022.db2.gz XEJZNKHIAATWCR-UHFFFAOYSA-N 0 0 202.257 2.057 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000310364779 385009737 /nfs/dbraw/zinc/00/97/37/385009737.db2.gz VRJRDSWYWXQWSJ-QWRGUYRKSA-N 0 0 241.375 2.336 10 0 BEAERN CO[C@H]1CC[C@@H](Nc2cc(C)c(C)nn2)C1 ZINC000302778131 385018552 /nfs/dbraw/zinc/01/85/52/385018552.db2.gz PVCNTQDYILHQKY-MNOVXSKESA-N 0 0 221.304 2.073 10 0 BEAERN O=C1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000086476177 385020173 /nfs/dbraw/zinc/02/01/73/385020173.db2.gz DWMBQAARHQMNQX-UHFFFAOYSA-N 0 0 237.686 2.032 10 0 BEAERN CSCCC(=O)Nc1ccncc1C ZINC000107291136 384963720 /nfs/dbraw/zinc/96/37/20/384963720.db2.gz SFXKCEOYMRARAH-UHFFFAOYSA-N 0 0 210.302 2.082 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1c(F)c(F)nc(F)c1F ZINC000087115129 385073413 /nfs/dbraw/zinc/07/34/13/385073413.db2.gz SWJLCXMMUWVVAX-DMTCNVIQSA-N 0 0 220.169 2.458 10 0 BEAERN C[C@@H](NC(=O)[C@]1(C)CCCO1)c1cccc(O)c1 ZINC000130422828 385032451 /nfs/dbraw/zinc/03/24/51/385032451.db2.gz MBDPTKHSLPOUSQ-YGRLFVJLSA-N 0 0 249.310 2.139 10 0 BEAERN FC1(c2sccc2Br)CNC1 ZINC000156387540 385040508 /nfs/dbraw/zinc/04/05/08/385040508.db2.gz BTVLXYUBXQVKIE-UHFFFAOYSA-N 0 0 236.109 2.279 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(F)cc1F ZINC000294690214 385117068 /nfs/dbraw/zinc/11/70/68/385117068.db2.gz AOEBMJUXZHMICB-RNCFNFMXSA-N 0 0 241.281 2.310 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1O ZINC000189219943 385138373 /nfs/dbraw/zinc/13/83/73/385138373.db2.gz KDUYNUQZWRFSDC-VHSXEESVSA-N 0 0 235.283 2.146 10 0 BEAERN CC[C@](C)(O)CN1CCc2ccccc21 ZINC000119401008 385095279 /nfs/dbraw/zinc/09/52/79/385095279.db2.gz MXXJSGAGZCFUKX-ZDUSSCGKSA-N 0 0 205.301 2.210 10 0 BEAERN O=C([O-])[C@H]1CCC[C@H]1[NH+]1CCCCCC1 ZINC000062750322 385188269 /nfs/dbraw/zinc/18/82/69/385188269.db2.gz AAHQIJOTSMDMSQ-WDEREUQCSA-N 0 0 211.305 2.116 10 0 BEAERN CCC[C@@H](N[C@@H](C)COC)C(=O)OC(C)(C)C ZINC000157486783 385193244 /nfs/dbraw/zinc/19/32/44/385193244.db2.gz HDMQWZMVZAZTSR-WDEREUQCSA-N 0 0 245.363 2.121 10 0 BEAERN COCCc1ccccc1NC(=O)N[C@H]1C[C@H]1C ZINC000189410946 385155367 /nfs/dbraw/zinc/15/53/67/385155367.db2.gz APMSMPRIAJAJGX-MFKMUULPSA-N 0 0 248.326 2.405 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(Cc2ccccc2)no1 ZINC000109484021 385168289 /nfs/dbraw/zinc/16/82/89/385168289.db2.gz GIVASVCEWNCVNN-LBPRGKRZSA-N 0 0 246.310 2.220 10 0 BEAERN FC(F)(F)c1cnn(-c2ccnc(Cl)n2)c1 ZINC000032625261 385174955 /nfs/dbraw/zinc/17/49/55/385174955.db2.gz QIQQBNWQVVARJI-UHFFFAOYSA-N 0 0 248.595 2.335 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000190241005 385223438 /nfs/dbraw/zinc/22/34/38/385223438.db2.gz BKSGKBIXWNMAAU-JQWIXIFHSA-N 0 0 219.284 2.440 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1 ZINC000190240964 385223522 /nfs/dbraw/zinc/22/35/22/385223522.db2.gz BKSGKBIXWNMAAU-CMPLNLGQSA-N 0 0 219.284 2.440 10 0 BEAERN Cc1cccc([C@@H](C)SC[C@@H](O)CO)c1 ZINC000177427972 385239601 /nfs/dbraw/zinc/23/96/01/385239601.db2.gz SFKFALLPMWABEG-PWSUYJOCSA-N 0 0 226.341 2.142 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccnn1C(C)(C)C ZINC000190574663 385250821 /nfs/dbraw/zinc/25/08/21/385250821.db2.gz MPQOUVZTTGZPRV-BDAKNGLRSA-N 0 0 236.319 2.168 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H](C)C2CC2)n1 ZINC000308887208 385252625 /nfs/dbraw/zinc/25/26/25/385252625.db2.gz WGFNLFRURBXHSV-ZCFIWIBFSA-N 0 0 209.268 2.443 10 0 BEAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccon1 ZINC000408056621 385309505 /nfs/dbraw/zinc/30/95/05/385309505.db2.gz JQEWRSMTWYYJTF-UXCLJVHYSA-N 0 0 234.299 2.288 10 0 BEAERN Nc1sccc1-c1nc(C2CC2)no1 ZINC000101284429 385314509 /nfs/dbraw/zinc/31/45/09/385314509.db2.gz PPPFZTIENQOBSP-UHFFFAOYSA-N 0 0 207.258 2.258 10 0 BEAERN CCC(=O)[C@@H](C)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000139026273 385259350 /nfs/dbraw/zinc/25/93/50/385259350.db2.gz OFSNTJXABKDNRR-PRHODGIISA-N 0 0 237.255 2.243 10 0 BEAERN Nc1cc2ccccc2cc1C1OCCO1 ZINC000238629398 385261074 /nfs/dbraw/zinc/26/10/74/385261074.db2.gz NCZKMXSHUSAATQ-UHFFFAOYSA-N 0 0 215.252 2.467 10 0 BEAERN CC(=O)CC(=O)OC/C=C\c1ccccc1 ZINC000033953327 385268972 /nfs/dbraw/zinc/26/89/72/385268972.db2.gz BDCAQAAKRKWXFW-YVMONPNESA-N 0 0 218.252 2.222 10 0 BEAERN CCc1cc(O)ccc1NC(=O)[C@@H](C)COC ZINC000191067785 385281312 /nfs/dbraw/zinc/28/13/12/385281312.db2.gz PLCDVXJIIMGENE-VIFPVBQESA-N 0 0 237.299 2.176 10 0 BEAERN C[C@](F)(C[NH3+])c1occc1Br ZINC000156450117 385285066 /nfs/dbraw/zinc/28/50/66/385285066.db2.gz LANHHVLGLJMZMT-ZETCQYMHSA-N 0 0 222.057 2.186 10 0 BEAERN Cn1cc([C@H]2C[C@H]2c2nc(C(C)(C)C)no2)cn1 ZINC000363511145 385285823 /nfs/dbraw/zinc/28/58/23/385285823.db2.gz HDPWGHZOYVFAHQ-NXEZZACHSA-N 0 0 246.314 2.372 10 0 BEAERN c1nc2cccnc2n1Cc1ccccc1 ZINC000034599994 385287219 /nfs/dbraw/zinc/28/72/19/385287219.db2.gz QEBUDKVYOQLSOC-UHFFFAOYSA-N 0 0 209.252 2.480 10 0 BEAERN C[C@H]1[C@H](O)CCCN1c1nc2ccccc2o1 ZINC000294880548 385287741 /nfs/dbraw/zinc/28/77/41/385287741.db2.gz BWZHUDNLBKQBBR-GXSJLCMTSA-N 0 0 232.283 2.177 10 0 BEAERN Nc1ccc(N2C[C@@H]3CCC(F)(F)[C@@H]3C2)nc1 ZINC000409431038 385330224 /nfs/dbraw/zinc/33/02/24/385330224.db2.gz RLWVTZQHEXJTRE-WCBMZHEXSA-N 0 0 239.269 2.145 10 0 BEAERN CC[C@@H](C)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000191865183 385330332 /nfs/dbraw/zinc/33/03/32/385330332.db2.gz POQZMGNXGOMPNN-NEPJUHHUSA-N 0 0 249.358 2.172 10 0 BEAERN Oc1cnc(C2CC2)nc1N1CCCCC1 ZINC000396174805 385330411 /nfs/dbraw/zinc/33/04/11/385330411.db2.gz KGZIHPGZNCZHBG-UHFFFAOYSA-N 0 0 219.288 2.050 10 0 BEAERN F[C@H]1CN[C@@H](c2nc(C3CCCCC3)no2)C1 ZINC000409424388 385332510 /nfs/dbraw/zinc/33/25/10/385332510.db2.gz UXZPWHXQNJJHSY-NXEZZACHSA-N 0 0 239.294 2.490 10 0 BEAERN c1nc(CN2CCCC[C@@H]2c2cn[nH]c2)co1 ZINC000191943419 385334653 /nfs/dbraw/zinc/33/46/53/385334653.db2.gz ORXYZMNDFLRQPR-GFCCVEGCSA-N 0 0 232.287 2.125 10 0 BEAERN CCCc1cc(NC(=O)C(C)(C)C)n[nH]1 ZINC000109913862 385352644 /nfs/dbraw/zinc/35/26/44/385352644.db2.gz UQWZURZBVOKGGY-UHFFFAOYSA-N 0 0 209.293 2.347 10 0 BEAERN COCCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000158211008 385363976 /nfs/dbraw/zinc/36/39/76/385363976.db2.gz JYQUMLJDOBLRBZ-QWHCGFSZSA-N 0 0 239.359 2.356 10 0 BEAERN CCO[C@H](C)C(=O)NCCC1=CCCC1 ZINC000131270025 385325498 /nfs/dbraw/zinc/32/54/98/385325498.db2.gz QNDNIJXUPYELSQ-SNVBAGLBSA-N 0 0 211.305 2.028 10 0 BEAERN CNc1snc(C)c1C(=O)N[C@H](C)C(C)C ZINC000120739218 385414910 /nfs/dbraw/zinc/41/49/10/385414910.db2.gz DBGZEXAWJQMRQE-SSDOTTSWSA-N 0 0 241.360 2.268 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)C[C@@H](O)C(C)C)o1 ZINC000155926609 385421624 /nfs/dbraw/zinc/42/16/24/385421624.db2.gz INQPYZHRKBWMNF-WDEREUQCSA-N 0 0 239.315 2.172 10 0 BEAERN COC(=O)c1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000170793466 385445882 /nfs/dbraw/zinc/44/58/82/385445882.db2.gz UKRHMDQOJKKBGL-KWQFWETISA-N 0 0 248.282 2.003 10 0 BEAERN CCOc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000170811868 385447922 /nfs/dbraw/zinc/44/79/22/385447922.db2.gz IEJXXCMCZPSITK-CMPLNLGQSA-N 0 0 248.326 2.293 10 0 BEAERN Cc1ccc(OCCNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000170808958 385448330 /nfs/dbraw/zinc/44/83/30/385448330.db2.gz NVEFFDKEQNLLDK-AAEUAGOBSA-N 0 0 248.326 2.081 10 0 BEAERN COCc1cccc(CN2[C@@H](C)COC[C@@H]2C)c1 ZINC000179222006 385451098 /nfs/dbraw/zinc/45/10/98/385451098.db2.gz DPGMBBAYMDMPIK-STQMWFEESA-N 0 0 249.354 2.442 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2CC[C@@H]2C)n1 ZINC000309152977 385436076 /nfs/dbraw/zinc/43/60/76/385436076.db2.gz WSURVLOUGNTIAL-RCOVLWMOSA-N 0 0 209.268 2.443 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2ncsc2c1 ZINC000171066564 385466318 /nfs/dbraw/zinc/46/63/18/385466318.db2.gz OEYVPMZMFVSTCG-XCBNKYQSSA-N 0 0 232.308 2.435 10 0 BEAERN Brc1noc([C@H]2CCSC2)n1 ZINC000156582905 385460961 /nfs/dbraw/zinc/46/09/61/385460961.db2.gz YUQHASOFKGEAOS-BYPYZUCNSA-N 0 0 235.106 2.053 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000195207277 385463511 /nfs/dbraw/zinc/46/35/11/385463511.db2.gz HUODSLZBIXYOIN-ZJNJWXDTSA-N 0 0 248.301 2.389 10 0 BEAERN Cc1c(C(=O)N[C@H]2C[C@H]2C)cnn1C(C)(C)C ZINC000171051210 385464141 /nfs/dbraw/zinc/46/41/41/385464141.db2.gz JBFBCEKEYVFFIV-KCJUWKMLSA-N 0 0 235.331 2.085 10 0 BEAERN Cn1cc(-c2ccc(O)c(Cl)c2)cn1 ZINC000156687561 385464269 /nfs/dbraw/zinc/46/42/69/385464269.db2.gz BIJMCZYRHOFEFM-UHFFFAOYSA-N 0 0 208.648 2.446 10 0 BEAERN CC(C)C(=O)c1nn(C)cc1Br ZINC000257719066 385491607 /nfs/dbraw/zinc/49/16/07/385491607.db2.gz HEBNWYFPJVDHPA-UHFFFAOYSA-N 0 0 231.093 2.021 10 0 BEAERN C[C@@H]1OCc2cc3c(cc2O1)CO[C@@H](C)O3 ZINC000196164845 385505121 /nfs/dbraw/zinc/50/51/21/385505121.db2.gz WZTOSZUYUYAGHA-HTQZYQBOSA-N 0 0 222.240 2.197 10 0 BEAERN Cn1ccn(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000196297249 385507139 /nfs/dbraw/zinc/50/71/39/385507139.db2.gz DWTYYWJKDMLULU-UHFFFAOYSA-N 0 0 243.093 2.483 10 0 BEAERN CC(C)(C)OC(=O)N1NCCc2ccccc21 ZINC000258095799 385537354 /nfs/dbraw/zinc/53/73/54/385537354.db2.gz XEEZZBQBHOXPAT-UHFFFAOYSA-N 0 0 234.299 2.489 10 0 BEAERN CC(C)n1ccc(CN2CCS[C@@H](C)C2)n1 ZINC000172013947 385541478 /nfs/dbraw/zinc/54/14/78/385541478.db2.gz HHBADIVWJXRFHZ-NSHDSACASA-N 0 0 239.388 2.401 10 0 BEAERN CC[C@@H](O)c1ccc(Br)cc1N ZINC000257977315 385523052 /nfs/dbraw/zinc/52/30/52/385523052.db2.gz JVYNTNKTUFBXBK-SECBINFHSA-N 0 0 230.105 2.475 10 0 BEAERN C[Si](C)(C)CCOC(=O)NCCCCCO ZINC000195838581 385561053 /nfs/dbraw/zinc/56/10/53/385561053.db2.gz COFABZCGUKTNEO-UHFFFAOYSA-N 0 0 247.411 2.213 10 0 BEAERN CNc1ccc(OC)c(OC(F)F)c1 ZINC000062796652 385563989 /nfs/dbraw/zinc/56/39/89/385563989.db2.gz GYLNOFJKDBGPSL-UHFFFAOYSA-N 0 0 203.188 2.338 10 0 BEAERN Cc1csc(N[C@H]2CCCC[C@H]2O)n1 ZINC000052007189 385604845 /nfs/dbraw/zinc/60/48/45/385604845.db2.gz QVXMYRPKCJJROQ-DTWKUNHWSA-N 0 0 212.318 2.167 10 0 BEAERN COc1ccc2c(c1)[C@@]1(C)CC(=O)[C@H]1C2 ZINC000196456795 385583988 /nfs/dbraw/zinc/58/39/88/385583988.db2.gz AZYUAAQUVFMTSR-DGCLKSJQSA-N 0 0 202.253 2.098 10 0 BEAERN CCCC1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000336678371 385616622 /nfs/dbraw/zinc/61/66/22/385616622.db2.gz ANHAWLMDWSUYKJ-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN CC(C)(C)[C@H](O)CSC[C@@H]1CCCO1 ZINC000336679035 385618382 /nfs/dbraw/zinc/61/83/82/385618382.db2.gz FISOLNVNWZQMSR-VHSXEESVSA-N 0 0 218.362 2.306 10 0 BEAERN COC(=O)[C@@H](C)N[C@@H](C)C1C(C)(C)C1(C)C ZINC000309483252 385610258 /nfs/dbraw/zinc/61/02/58/385610258.db2.gz ULGXZANYZXZBHY-DTWKUNHWSA-N 0 0 227.348 2.208 10 0 BEAERN CO[C@H](C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182217284 385645416 /nfs/dbraw/zinc/64/54/16/385645416.db2.gz JFCCZSFYRMANRK-WDMOLILDSA-N 0 0 247.338 2.379 10 0 BEAERN CCOC(=O)c1ccc(F)c(C)c1OC ZINC000260036258 385657877 /nfs/dbraw/zinc/65/78/77/385657877.db2.gz KQULAFZWTRNHKQ-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN Cc1csc(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000293600260 385672357 /nfs/dbraw/zinc/67/23/57/385672357.db2.gz CVTXAVYDTSPZFZ-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN CCN(CC)c1ccc([C@@H](C)O)cc1N ZINC000253574542 385684146 /nfs/dbraw/zinc/68/41/46/385684146.db2.gz SSYBTBQIYKJUCN-SECBINFHSA-N 0 0 208.305 2.168 10 0 BEAERN CC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000253567913 385684178 /nfs/dbraw/zinc/68/41/78/385684178.db2.gz KQCLNEFAMQZCSQ-CYBMUJFWSA-N 0 0 244.294 2.200 10 0 BEAERN Nc1nc2ccnn2cc1-c1ccc(F)cc1 ZINC000253575387 385684617 /nfs/dbraw/zinc/68/46/17/385684617.db2.gz UNJMKHXQSJOAFF-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN COC[C@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000155592561 385687554 /nfs/dbraw/zinc/68/75/54/385687554.db2.gz QZRBDGNCWHYEBA-NSHDSACASA-N 0 0 227.348 2.308 10 0 BEAERN Cc1noc([C@H]2CCN(c3cc(C)ccn3)C2)n1 ZINC000408455924 385687912 /nfs/dbraw/zinc/68/79/12/385687912.db2.gz FQWHURDZYHRKDX-NSHDSACASA-N 0 0 244.298 2.075 10 0 BEAERN Nc1cc(Br)ccc1ON=O ZINC000211708265 385691684 /nfs/dbraw/zinc/69/16/84/385691684.db2.gz IRNVUTSQXDSEQG-UHFFFAOYSA-N 0 0 217.022 2.092 10 0 BEAERN CO[C@H](C)c1nsc(=N[C@@H](C)C(C)C)[n-]1 ZINC000336688625 385706821 /nfs/dbraw/zinc/70/68/21/385706821.db2.gz LVQXOYHHEHRALQ-JGVFFNPUSA-N 0 0 229.349 2.124 10 0 BEAERN Cc1cnc(NCC2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000281973447 385718702 /nfs/dbraw/zinc/71/87/02/385718702.db2.gz VIXOODDMVCXPJE-QWRGUYRKSA-N 0 0 235.331 2.401 10 0 BEAERN FC(F)(F)c1c[nH]c(NCc2cscn2)n1 ZINC000283729360 385745985 /nfs/dbraw/zinc/74/59/85/385745985.db2.gz CBBCFOGTXVZGTK-UHFFFAOYSA-N 0 0 248.233 2.497 10 0 BEAERN COC(=O)Cc1c(C)c(Cl)ccc1O ZINC000260195949 385750288 /nfs/dbraw/zinc/75/02/88/385750288.db2.gz VBVSTGQXCFABIQ-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN Cc1cnc(N[C@@H]2CCc3nccn3C2)s1 ZINC000309620430 385751514 /nfs/dbraw/zinc/75/15/14/385751514.db2.gz DCMFXGPHRAAKAQ-SECBINFHSA-N 0 0 234.328 2.075 10 0 BEAERN CC[C@H](COC)Nc1nc(C)nc(C)c1F ZINC000336724666 385751727 /nfs/dbraw/zinc/75/17/27/385751727.db2.gz FOWWRSJPXVMNCE-SECBINFHSA-N 0 0 227.283 2.069 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccnc(F)c1F ZINC000231121407 385783578 /nfs/dbraw/zinc/78/35/78/385783578.db2.gz FZRUFYMPTDDGIK-CBAPKCEASA-N 0 0 240.253 2.278 10 0 BEAERN CC[C@@H](CC(=O)NCC1(C)COC1)C(C)C ZINC000112619345 385848291 /nfs/dbraw/zinc/84/82/91/385848291.db2.gz MWQXMLUETFXRQP-NSHDSACASA-N 0 0 227.348 2.211 10 0 BEAERN CC1(C)CCCN1c1ncc(C=O)s1 ZINC000063074143 385790518 /nfs/dbraw/zinc/79/05/18/385790518.db2.gz OGVHJEQFBQEQSE-UHFFFAOYSA-N 0 0 210.302 2.334 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nccc2occc21 ZINC000231331210 385795015 /nfs/dbraw/zinc/79/50/15/385795015.db2.gz SUAIRCRHEHDRQC-WPRPVWTQSA-N 0 0 218.256 2.417 10 0 BEAERN O=C1COC[C@H]1c1sccc1Br ZINC000575532006 385883808 /nfs/dbraw/zinc/88/38/08/385883808.db2.gz UHZGZHLFBDRSON-RXMQYKEDSA-N 0 0 247.113 2.194 10 0 BEAERN CCc1ccc(Cn2nccc2N)s1 ZINC000051718695 385889137 /nfs/dbraw/zinc/88/91/37/385889137.db2.gz SHCGQXYLZSFLIU-UHFFFAOYSA-N 0 0 207.302 2.138 10 0 BEAERN Cn1c(NC(C)(C)C)nnc1-c1ccc[nH]1 ZINC000282579289 385905933 /nfs/dbraw/zinc/90/59/33/385905933.db2.gz OZEXREGVTPKAAD-UHFFFAOYSA-N 0 0 219.292 2.021 10 0 BEAERN CCc1c[nH]c(=S)n1C1CSC1 ZINC000575536186 385910051 /nfs/dbraw/zinc/91/00/51/385910051.db2.gz WTGFJKOPDBNYRM-UHFFFAOYSA-N 0 0 200.332 2.022 10 0 BEAERN Cn1cc(CCO)c2ccc(Cl)cc21 ZINC000071491846 385913697 /nfs/dbraw/zinc/91/36/97/385913697.db2.gz PIHNWMPBFNIEKL-UHFFFAOYSA-N 0 0 209.676 2.367 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@H](C)C[C@@H](O)C2)c1 ZINC000334506977 385924105 /nfs/dbraw/zinc/92/41/05/385924105.db2.gz LLJHMJHTTWXBBC-DGCLKSJQSA-N 0 0 248.326 2.230 10 0 BEAERN c1ncc([C@H]2COCCN2Cc2ccccc2)o1 ZINC000616640584 385864849 /nfs/dbraw/zinc/86/48/49/385864849.db2.gz YFFVJNXBGVXMLI-CYBMUJFWSA-N 0 0 244.294 2.248 10 0 BEAERN Cn1ccc(-c2cc(C=O)ccc2F)n1 ZINC000231978168 385928291 /nfs/dbraw/zinc/92/82/91/385928291.db2.gz URGTYJPSKOZYGR-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN COC(=O)c1ccc(C(F)(F)F)c(N)c1F ZINC000260877133 385990471 /nfs/dbraw/zinc/99/04/71/385990471.db2.gz UQFCUJMPONGKIO-UHFFFAOYSA-N 0 0 237.152 2.213 10 0 BEAERN COc1c(CNc2ccc(C)nc2)c(C)nn1C ZINC000128042214 385946294 /nfs/dbraw/zinc/94/62/94/385946294.db2.gz CCJUDILHWMXYOW-UHFFFAOYSA-N 0 0 246.314 2.053 10 0 BEAERN CC[C@H](O)Cc1cccc(OC)c1OC ZINC000058002620 385947692 /nfs/dbraw/zinc/94/76/92/385947692.db2.gz UGYILQMVTVMXHG-JTQLQIEISA-N 0 0 210.273 2.017 10 0 BEAERN COC(=O)c1cc(O)cc(C)c1Cl ZINC000261164669 386010466 /nfs/dbraw/zinc/01/04/66/386010466.db2.gz XCIPYACSDULXBM-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN COC(=O)c1cc(Cl)cc(F)c1OC ZINC000261185257 386012612 /nfs/dbraw/zinc/01/26/12/386012612.db2.gz HFFDUBCDJMWZNR-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CCOC(=O)c1cc(C)cc(F)c1OC ZINC000261205245 386016210 /nfs/dbraw/zinc/01/62/10/386016210.db2.gz DVUGVZOXJYUORZ-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(Br)nn1 ZINC000575563769 386051216 /nfs/dbraw/zinc/05/12/16/386051216.db2.gz SWAPDMYZXQIKLZ-ZETCQYMHSA-N 0 0 244.136 2.117 10 0 BEAERN FC(F)(F)CCCNc1nncs1 ZINC000124483621 386063730 /nfs/dbraw/zinc/06/37/30/386063730.db2.gz XOFXOMOKQMOFEH-UHFFFAOYSA-N 0 0 211.212 2.293 10 0 BEAERN C[C@]1(O)CCC[C@@H]1NOCc1ccccc1 ZINC000307715541 386071186 /nfs/dbraw/zinc/07/11/86/386071186.db2.gz HXMMZNXCDQZFRK-STQMWFEESA-N 0 0 221.300 2.011 10 0 BEAERN CC(C)(C)NC(C)(C)C(=O)OC(C)(C)C ZINC000222974452 386072518 /nfs/dbraw/zinc/07/25/18/386072518.db2.gz LGPFUGFETTYYLS-UHFFFAOYSA-N 0 0 215.337 2.495 10 0 BEAERN CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C)n(C)n1 ZINC000414368310 386154431 /nfs/dbraw/zinc/15/44/31/386154431.db2.gz SJYUKQBEUQFQLH-CMPLNLGQSA-N 0 0 207.321 2.007 10 0 BEAERN CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C)n(C)n1 ZINC000414368313 386156195 /nfs/dbraw/zinc/15/61/95/386156195.db2.gz SJYUKQBEUQFQLH-PWSUYJOCSA-N 0 0 207.321 2.007 10 0 BEAERN Cc1ccc(CNc2ccc(C(=O)[O-])cn2)o1 ZINC000053040084 386173930 /nfs/dbraw/zinc/17/39/30/386173930.db2.gz ZOKXHYSIHYVHLX-UHFFFAOYSA-N 0 0 232.239 2.293 10 0 BEAERN Cc1sccc1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000307350073 386130164 /nfs/dbraw/zinc/13/01/64/386130164.db2.gz SQICUYWKXWKIQF-MYJAWHEDSA-N 0 0 208.282 2.132 10 0 BEAERN CSC1(CNC(=O)OC(C)C)CC1 ZINC000235081107 386132573 /nfs/dbraw/zinc/13/25/73/386132573.db2.gz FHRYQZWBDQCEOM-UHFFFAOYSA-N 0 0 203.307 2.017 10 0 BEAERN CNc1cccc(Cl)c1C(N)=S ZINC000052903744 386347840 /nfs/dbraw/zinc/34/78/40/386347840.db2.gz JWWAVKBOZMZDAY-UHFFFAOYSA-N 0 0 200.694 2.016 10 0 BEAERN CN(C(=O)N1C[C@H]2CCC[C@@H]21)C1CCCC1 ZINC000335270896 386357905 /nfs/dbraw/zinc/35/79/05/386357905.db2.gz XQPQZDALNHVHEJ-PWSUYJOCSA-N 0 0 222.332 2.465 10 0 BEAERN CC(C)c1ccc([C@H]2COCC2=O)cc1 ZINC000521400442 386446307 /nfs/dbraw/zinc/44/63/07/386446307.db2.gz MMSCKUDQCPTFLZ-GFCCVEGCSA-N 0 0 204.269 2.493 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C1C(C)(C)C1(C)C ZINC000399195767 386453021 /nfs/dbraw/zinc/45/30/21/386453021.db2.gz LJTUTSPUIBPIPQ-UWVGGRQHSA-N 0 0 239.359 2.040 10 0 BEAERN CN=[S@](C)(=O)c1cccc2cccnc21 ZINC000521399466 386431738 /nfs/dbraw/zinc/43/17/38/386431738.db2.gz QJOQNISDSZAIBG-OAHLLOKOSA-N 0 0 220.297 2.321 10 0 BEAERN CC[S@](=N)(=O)c1nnc(-c2ccccc2)o1 ZINC000521399890 386434652 /nfs/dbraw/zinc/43/46/52/386434652.db2.gz YLJLCBOHDXMRGM-INIZCTEOSA-N 0 0 237.284 2.162 10 0 BEAERN CCCC[C@H](C)C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399267893 386474026 /nfs/dbraw/zinc/47/40/26/386474026.db2.gz WCMPVVRMJNRJJB-SDDRHHMPSA-N 0 0 227.348 2.185 10 0 BEAERN Clc1c(Br)cnc2nccnc12 ZINC000299889179 386498001 /nfs/dbraw/zinc/49/80/01/386498001.db2.gz FPFBGRGKERJPAW-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN Nc1noc2cc(OC(F)(F)F)ccc12 ZINC000299889911 386498147 /nfs/dbraw/zinc/49/81/47/386498147.db2.gz QTAYTWOIQITOSO-UHFFFAOYSA-N 0 0 218.134 2.309 10 0 BEAERN CN(C)c1c(N)cccc1Br ZINC000299889507 386498534 /nfs/dbraw/zinc/49/85/34/386498534.db2.gz KIEJLTXSYAIMOS-UHFFFAOYSA-N 0 0 215.094 2.097 10 0 BEAERN CSc1nc2[nH]nc(Cl)c2c(Cl)n1 ZINC000299889968 386498691 /nfs/dbraw/zinc/49/86/91/386498691.db2.gz RRNYKALNEQPURD-UHFFFAOYSA-N 0 0 235.099 2.382 10 0 BEAERN Cn1nccc1CNc1ncnc2sccc21 ZINC000045956696 386508728 /nfs/dbraw/zinc/50/87/28/386508728.db2.gz TZZACOXUHUDJFC-UHFFFAOYSA-N 0 0 245.311 2.037 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1c1nc2ccccc2o1 ZINC000399342115 386517496 /nfs/dbraw/zinc/51/74/96/386517496.db2.gz UCHBLDPXUJELAX-VHSXEESVSA-N 0 0 232.283 2.177 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C1CCCCCC1 ZINC000399223729 386459736 /nfs/dbraw/zinc/45/97/36/386459736.db2.gz WXWMIMWWSSSDFL-AAEUAGOBSA-N 0 0 239.359 2.329 10 0 BEAERN CC(C)(C)[C@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521401772 386461829 /nfs/dbraw/zinc/46/18/29/386461829.db2.gz OXOSSQSXIJTZSH-NKWVEPMBSA-N 0 0 241.253 2.403 10 0 BEAERN COc1cc(C#N)cc(C(C)=O)c1OC(F)F ZINC000575641690 386575213 /nfs/dbraw/zinc/57/52/13/386575213.db2.gz XNCIHCFYWYGXJX-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1c(OC(F)F)ccc(C(C)=O)c1C#N ZINC000575641636 386576270 /nfs/dbraw/zinc/57/62/70/386576270.db2.gz WRPSQJPKPZRKBK-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN NC(=O)c1c(F)cc(F)cc1C(F)F ZINC000306895418 386532163 /nfs/dbraw/zinc/53/21/63/386532163.db2.gz MUFGKOLLJZMCMJ-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN O=C1CCc2ccc(OC(F)(F)F)cc2N1 ZINC000238854976 386536427 /nfs/dbraw/zinc/53/64/27/386536427.db2.gz PZOGKOSXOXELOZ-UHFFFAOYSA-N 0 0 231.173 2.470 10 0 BEAERN Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1N ZINC000575637714 386549567 /nfs/dbraw/zinc/54/95/67/386549567.db2.gz JBJCBMPYQNOHRR-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CC(C)C(C)(C)CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000187645710 386566896 /nfs/dbraw/zinc/56/68/96/386566896.db2.gz XXQNSYVSHNZFEK-GHMZBOCLSA-N 0 0 227.348 2.352 10 0 BEAERN N#Cc1c(F)ccc(OC(F)F)c1C=O ZINC000575640211 386568378 /nfs/dbraw/zinc/56/83/78/386568378.db2.gz MEGRXRZPQISBEY-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN C[C@H](Nc1cc(N)ns1)C(C)(F)F ZINC000307429454 386650485 /nfs/dbraw/zinc/65/04/85/386650485.db2.gz UZJKSNRFLMOUQQ-BYPYZUCNSA-N 0 0 207.249 2.181 10 0 BEAERN C[C@@H]1C[C@H](NC(=O)C(C)(C)Br)[C@H]1C ZINC000307397821 386608469 /nfs/dbraw/zinc/60/84/69/386608469.db2.gz RSNKODLVPFLLOX-CSMHCCOUSA-N 0 0 248.164 2.321 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1cncc(Cl)n1 ZINC000050376734 386671090 /nfs/dbraw/zinc/67/10/90/386671090.db2.gz ZRNFCFKGQOOLTJ-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN CC1(C)C[C@H]1c1nnc(Br)o1 ZINC000232827674 386676742 /nfs/dbraw/zinc/67/67/42/386676742.db2.gz XSVIBJRFZLFZPH-BYPYZUCNSA-N 0 0 217.066 2.346 10 0 BEAERN O=C(c1ccccc1F)N1CCC[C@H]2COC[C@H]21 ZINC000367250453 386685057 /nfs/dbraw/zinc/68/50/57/386685057.db2.gz IXBLEKVDEJWACB-GXFFZTMASA-N 0 0 249.285 2.077 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccc(N(C)C)cc1 ZINC000575358366 386736894 /nfs/dbraw/zinc/73/68/94/386736894.db2.gz XRDWCKCEHRXMSM-UHFFFAOYSA-N 0 0 249.310 2.277 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccccc1N(C)C ZINC000575358363 386737799 /nfs/dbraw/zinc/73/77/99/386737799.db2.gz XGZAXDCOLIDGBO-UHFFFAOYSA-N 0 0 249.310 2.277 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@@H]2CCC(=O)NC2)n1 ZINC000329592872 386714220 /nfs/dbraw/zinc/71/42/20/386714220.db2.gz UMEMEGPCTUAVCT-SFYZADRCSA-N 0 0 235.287 2.417 10 0 BEAERN Cc1c(Br)cc([N+](=O)[O-])cc1C=O ZINC000143478382 386714528 /nfs/dbraw/zinc/71/45/28/386714528.db2.gz LYZBUVIAWPURPD-UHFFFAOYSA-N 0 0 244.044 2.478 10 0 BEAERN COC1=C(Br)C=C[C@@](C)([N+](=O)[O-])C1 ZINC000575448774 386728256 /nfs/dbraw/zinc/72/82/56/386728256.db2.gz BAHULJUBOADPNX-MRVPVSSYSA-N 0 0 248.076 2.235 10 0 BEAERN C[C@H](CCCCO)NC(=O)[C@H]1CCC[C@@H]1C ZINC000398425343 386820546 /nfs/dbraw/zinc/82/05/46/386820546.db2.gz KRRBMOVFZOBKJW-TUAOUCFPSA-N 0 0 227.348 2.090 10 0 BEAERN CCOC(=O)c1nccc(OC(F)(F)F)c1C ZINC000575375100 386798641 /nfs/dbraw/zinc/79/86/41/386798641.db2.gz NPCCUANITBKPPX-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN Cc1[nH]c2ccccc2c1C(=O)N1CCCO1 ZINC000125349336 386799470 /nfs/dbraw/zinc/79/94/70/386799470.db2.gz SEWUZLQMBOMGLO-UHFFFAOYSA-N 0 0 230.267 2.254 10 0 BEAERN COC(=O)Cc1cncc(C)c1OC(F)(F)F ZINC000575374996 386800263 /nfs/dbraw/zinc/80/02/63/386800263.db2.gz GJVUROSLBXLQAZ-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN O=C(CCc1c[nH]c2ccccc12)N1CCCO1 ZINC000125361057 386800942 /nfs/dbraw/zinc/80/09/42/386800942.db2.gz RFWLTLZUEKJRCN-UHFFFAOYSA-N 0 0 244.294 2.264 10 0 BEAERN Cc1cc(C(=O)CN2C[C@H]3CCC[C@@H]32)c(C)[nH]1 ZINC000334780866 386835985 /nfs/dbraw/zinc/83/59/85/386835985.db2.gz CPMNPDBXUZCGFC-YPMHNXCESA-N 0 0 232.327 2.299 10 0 BEAERN Cc1ccnc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 ZINC000301360617 386837348 /nfs/dbraw/zinc/83/73/48/386837348.db2.gz OPHAYNUVZFWISZ-IJLUTSLNSA-N 0 0 247.342 2.035 10 0 BEAERN O=C1C[C@H](c2ccsc2Br)N1 ZINC000575454533 386845233 /nfs/dbraw/zinc/84/52/33/386845233.db2.gz TXJQXHHUZLPQKD-RXMQYKEDSA-N 0 0 232.102 2.072 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(CC)nc2ncnn21 ZINC000301464271 386846541 /nfs/dbraw/zinc/84/65/41/386846541.db2.gz WDUSAVKBIDTFJT-GXSJLCMTSA-N 0 0 245.330 2.287 10 0 BEAERN CCCc1nnc(NCC[C@H](O)CC)s1 ZINC000301681626 386867274 /nfs/dbraw/zinc/86/72/74/386867274.db2.gz SDYZQMAMNUPMOI-MRVPVSSYSA-N 0 0 229.349 2.064 10 0 BEAERN Cc1cncc(NCC2(C3CC3)CC2)n1 ZINC000302145651 386907353 /nfs/dbraw/zinc/90/73/53/386907353.db2.gz JCHZTZCFVSWTJV-UHFFFAOYSA-N 0 0 203.289 2.387 10 0 BEAERN Cn1cc(Oc2nccc(C(F)(F)F)n2)cn1 ZINC000302399404 386921263 /nfs/dbraw/zinc/92/12/63/386921263.db2.gz DRXFSLAPCMAPKX-UHFFFAOYSA-N 0 0 244.176 2.021 10 0 BEAERN CC(C)[C@@H](CCc1ccccc1)C(N)=O ZINC000033640795 386930847 /nfs/dbraw/zinc/93/08/47/386930847.db2.gz XLUUNZHXQICDEW-GFCCVEGCSA-N 0 0 205.301 2.377 10 0 BEAERN COc1ccc([C@]2(O)CCSC2)cc1 ZINC000084390783 386945493 /nfs/dbraw/zinc/94/54/93/386945493.db2.gz WOWDUWHHNGXCTN-NSHDSACASA-N 0 0 210.298 2.020 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1ccc(F)cc1F ZINC000399481938 387005944 /nfs/dbraw/zinc/00/59/44/387005944.db2.gz QKLYFCAUZWBQMY-CABZTGNLSA-N 0 0 241.281 2.310 10 0 BEAERN C[C@H]1CC[C@@H](n2cnn(C(C)(C)C)c2=O)C1 ZINC000334953920 387032754 /nfs/dbraw/zinc/03/27/54/387032754.db2.gz ACHKVYPRILCFNF-VHSXEESVSA-N 0 0 223.320 2.161 10 0 BEAERN O=S(=O)(C1CCCCC1)N1C[C@@H]2CCC[C@@H]21 ZINC000334957041 387035456 /nfs/dbraw/zinc/03/54/56/387035456.db2.gz KWWHBPZLSHJMRO-JQWIXIFHSA-N 0 0 243.372 2.133 10 0 BEAERN CCOc1ccc(CO)c(F)c1OC(F)F ZINC000575655520 387039983 /nfs/dbraw/zinc/03/99/83/387039983.db2.gz KKLRVPXFDCQOAO-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCc1cc(OC)c(CO)cc1OC(F)F ZINC000575657807 387043527 /nfs/dbraw/zinc/04/35/27/387043527.db2.gz PPOUNGMTVVBPNY-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1c(O)cc(OC(F)F)cc1OC ZINC000575657659 387044400 /nfs/dbraw/zinc/04/44/00/387044400.db2.gz UVSSRJSQOGJNBB-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN Cc1nc(N[C@H](C)CF)ccc1Br ZINC000575578996 387048346 /nfs/dbraw/zinc/04/83/46/387048346.db2.gz JIQAYMGVOBUJNI-ZCFIWIBFSA-N 0 0 247.111 2.344 10 0 BEAERN CCCCOCC(=O)NC(C)(CC)CC ZINC000118228447 387049833 /nfs/dbraw/zinc/04/98/33/387049833.db2.gz HVBYAKBTTOIVTK-UHFFFAOYSA-N 0 0 215.337 2.498 10 0 BEAERN Cc1c(CO)ccc(OC(F)F)c1F ZINC000575661062 387050675 /nfs/dbraw/zinc/05/06/75/387050675.db2.gz HRGBGPFCVPBHDM-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Cc1cc(CO)cc(OC(F)F)c1F ZINC000575661053 387050792 /nfs/dbraw/zinc/05/07/92/387050792.db2.gz HBXDGZBRRVBUEE-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN C[C@@H]1CC[C@H](n2cnc3c(c2=O)CCCC3)C1 ZINC000334968534 387052004 /nfs/dbraw/zinc/05/20/04/387052004.db2.gz RRRSYTYJPMTLEW-MNOVXSKESA-N 0 0 232.327 2.483 10 0 BEAERN COc1cc(C=O)cc(OC(F)F)c1C(C)=O ZINC000575661252 387067578 /nfs/dbraw/zinc/06/75/78/387067578.db2.gz JCUYBJZKJZOWOA-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN O=Cc1cn(C2COC2)c2ccccc12 ZINC000575434306 387057446 /nfs/dbraw/zinc/05/74/46/387057446.db2.gz MIMIKNKJBSDZJG-UHFFFAOYSA-N 0 0 201.225 2.025 10 0 BEAERN COc1cc(OC(F)F)c(C=O)c(C(C)=O)c1 ZINC000575661429 387062205 /nfs/dbraw/zinc/06/22/05/387062205.db2.gz KCXMQQRSEPLVED-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN CC(=O)c1ccc(OC(F)F)c(C=O)c1O ZINC000575661223 387065243 /nfs/dbraw/zinc/06/52/43/387065243.db2.gz IFJSBEGFRRGPBE-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN CCC(F)(F)CN1CCC[C@@H]1CCCO ZINC000639469953 387015111 /nfs/dbraw/zinc/01/51/11/387015111.db2.gz CYMKQMODPVJKBX-SNVBAGLBSA-N 0 0 221.291 2.269 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)C1CC1 ZINC000117631680 387025065 /nfs/dbraw/zinc/02/50/65/387025065.db2.gz DZELJLMHAPPMJE-RNCFNFMXSA-N 0 0 231.295 2.172 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117785272 387028167 /nfs/dbraw/zinc/02/81/67/387028167.db2.gz RHGJYJQMYAOSBK-MDZLAQPJSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC1CC1 ZINC000117750213 387028210 /nfs/dbraw/zinc/02/82/10/387028210.db2.gz YSTXENNBJAQDDC-NOZJJQNGSA-N 0 0 231.295 2.077 10 0 BEAERN C[C@H](Sc1ccccn1)C(=O)N[C@H]1C[C@@H]1C ZINC000246331714 387074547 /nfs/dbraw/zinc/07/45/47/387074547.db2.gz NTHGGYXNZUEYRW-GUBZILKMSA-N 0 0 236.340 2.087 10 0 BEAERN S=C1N=NCN1[C@H]1CCCSCC1 ZINC000575469042 387086302 /nfs/dbraw/zinc/08/63/02/387086302.db2.gz VAIZUMGBFFRLEO-ZETCQYMHSA-N 0 0 215.347 2.025 10 0 BEAERN N[C@@H](c1cncs1)c1ccoc1Cl ZINC000575469295 387088647 /nfs/dbraw/zinc/08/86/47/387088647.db2.gz CWYMJHFQESBZKR-SSDOTTSWSA-N 0 0 214.677 2.438 10 0 BEAERN COC(=O)Cc1cc(C(C)(C)C)ccc1N ZINC000575436369 387100933 /nfs/dbraw/zinc/10/09/33/387100933.db2.gz GPYUJIVVSJTPIQ-UHFFFAOYSA-N 0 0 221.300 2.282 10 0 BEAERN Clc1cnn2c1nccc2Br ZINC000575436762 387104202 /nfs/dbraw/zinc/10/42/02/387104202.db2.gz RQCSSGPAYQGQCS-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN Brc1cc(-c2cncs2)ncn1 ZINC000575471039 387106178 /nfs/dbraw/zinc/10/61/78/387106178.db2.gz KNPQRYSHMNGSSG-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@H](CC1CC1)NC(=O)Nc1ccncc1 ZINC000112713207 387108551 /nfs/dbraw/zinc/10/85/51/387108551.db2.gz XHELBFVLBQHWJS-SECBINFHSA-N 0 0 219.288 2.392 10 0 BEAERN COc1cc(C=O)c(C(C)=O)c(OC(F)F)c1 ZINC000575661504 387110059 /nfs/dbraw/zinc/11/00/59/387110059.db2.gz LXWYAPKIUJVCPH-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN CCc1nc(Cl)nc2c1SCC2 ZINC000575469974 387111011 /nfs/dbraw/zinc/11/10/11/387111011.db2.gz FYMFUDWSUKPOPV-UHFFFAOYSA-N 0 0 200.694 2.341 10 0 BEAERN CN(C)c1ncccc1N(C)C(=O)[C@H]1CC1(C)C ZINC000119326354 387118613 /nfs/dbraw/zinc/11/86/13/387118613.db2.gz WUCGTXIXNHSNMP-SNVBAGLBSA-N 0 0 247.342 2.157 10 0 BEAERN Brc1ccc(-c2ccc[nH]2)nn1 ZINC000575585247 387141497 /nfs/dbraw/zinc/14/14/97/387141497.db2.gz APHCAASEGHWFSS-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Cc1ccnc(NC(=O)[C@H](C)C2CCOCC2)c1 ZINC000120036851 387151686 /nfs/dbraw/zinc/15/16/86/387151686.db2.gz KPOWSBMWYOQWSH-LLVKDONJSA-N 0 0 248.326 2.391 10 0 BEAERN COc1cccc(C2(CO)CCCC2)c1 ZINC000084383627 387155506 /nfs/dbraw/zinc/15/55/06/387155506.db2.gz ZZKAOVZVIRMPLP-UHFFFAOYSA-N 0 0 206.285 2.499 10 0 BEAERN Cc1ccccc1-c1cc(=O)n2c(n1)C[C@@H](C)C2 ZINC000536949826 387160384 /nfs/dbraw/zinc/16/03/84/387160384.db2.gz BSLRXLNHAVQNHV-SNVBAGLBSA-N 0 0 240.306 2.411 10 0 BEAERN Cc1ccccc1-c1cc(=O)n2c(n1)C[C@H](C)C2 ZINC000536949820 387161027 /nfs/dbraw/zinc/16/10/27/387161027.db2.gz BSLRXLNHAVQNHV-JTQLQIEISA-N 0 0 240.306 2.411 10 0 BEAERN CC[S@](C)(=O)=Nc1ncccc1Cl ZINC000536951892 387163807 /nfs/dbraw/zinc/16/38/07/387163807.db2.gz YZDNCAQZXOFNIQ-ZDUSSCGKSA-N 0 0 218.709 2.484 10 0 BEAERN COc1cccc([C@H]2CNC(=O)C23CCCC3)c1 ZINC000536952501 387165835 /nfs/dbraw/zinc/16/58/35/387165835.db2.gz DNOBLHOTBFGWDK-CYBMUJFWSA-N 0 0 245.322 2.469 10 0 BEAERN Cc1c(N)nsc1NCC(C)(F)F ZINC000575483119 387186911 /nfs/dbraw/zinc/18/69/11/387186911.db2.gz ZUAAWTDVLSELKP-UHFFFAOYSA-N 0 0 207.249 2.101 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000229009118 387136949 /nfs/dbraw/zinc/13/69/49/387136949.db2.gz VVKWCJQLBBXPGL-NWDGAFQWSA-N 0 0 239.359 2.044 10 0 BEAERN Fc1ccc(-n2ccc(-c3ncccn3)n2)cc1 ZINC000575442362 387139849 /nfs/dbraw/zinc/13/98/49/387139849.db2.gz VUHRBXUDBSDRNT-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCCC1CCCC1 ZINC000187985687 387252759 /nfs/dbraw/zinc/25/27/59/387252759.db2.gz NVBPIXOAZOCSRJ-DGCLKSJQSA-N 0 0 239.359 2.498 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@@H]1CCCO[C@H]1C ZINC000187964716 387224698 /nfs/dbraw/zinc/22/46/98/387224698.db2.gz NSWANSZQHREGTC-GRYCIOLGSA-N 0 0 227.348 2.210 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCC1(O)CCCCC1 ZINC000230173486 387239826 /nfs/dbraw/zinc/23/98/26/387239826.db2.gz JVXNGIPUDMNUJX-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NC(C)(C)C(C)(C)O ZINC000230176352 387240271 /nfs/dbraw/zinc/24/02/71/387240271.db2.gz AJTPWJXFWHHQKM-VHSXEESVSA-N 0 0 227.348 2.088 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(O)c1 ZINC000230173045 387240635 /nfs/dbraw/zinc/24/06/35/387240635.db2.gz VQNYJIPJSZNPIC-ZWNOBZJWSA-N 0 0 233.311 2.445 10 0 BEAERN CCC(CC)(CO)CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230175500 387240677 /nfs/dbraw/zinc/24/06/77/387240677.db2.gz NTZZXQMSGMDVAR-NWDGAFQWSA-N 0 0 241.375 2.338 10 0 BEAERN Cc1cc(OC(F)F)c(C=O)cc1O ZINC000575662597 387196372 /nfs/dbraw/zinc/19/63/72/387196372.db2.gz CHYLJMITBAPCQC-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1c(C)cc(OC(F)F)cc1C=O ZINC000575664869 387311212 /nfs/dbraw/zinc/31/12/12/387311212.db2.gz LSXOEWKNZPUMOZ-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COc1cc(C)cc(O)c1OC(F)F ZINC000575665595 387315833 /nfs/dbraw/zinc/31/58/33/387315833.db2.gz QUMDIFMXDDKJSE-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CC[C@H](COC)NC(=O)NC(C)(CC)CC ZINC000121236737 387316132 /nfs/dbraw/zinc/31/61/32/387316132.db2.gz QHVCCFMATPZALI-SNVBAGLBSA-N 0 0 230.352 2.289 10 0 BEAERN Fc1cncc(NCC=C(Cl)Cl)n1 ZINC000575488845 387259870 /nfs/dbraw/zinc/25/98/70/387259870.db2.gz RQCKFKZJLGVQLA-UHFFFAOYSA-N 0 0 222.050 2.347 10 0 BEAERN C[C@@H]1CSC[C@H]1Nc1cnsc1 ZINC000575493307 387271436 /nfs/dbraw/zinc/27/14/36/387271436.db2.gz FEMKLOGQCLRJOS-HTRCEHHLSA-N 0 0 200.332 2.307 10 0 BEAERN Cc1cc(C(F)F)c(C=O)cc1CO ZINC000575667339 387317876 /nfs/dbraw/zinc/31/78/76/387317876.db2.gz DATHXYLTDLMSPM-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN Cn1cc(N[C@@H]2CCCC23CCOCC3)cn1 ZINC000302283197 387287671 /nfs/dbraw/zinc/28/76/71/387287671.db2.gz BUSSAFSGCKYUHS-GFCCVEGCSA-N 0 0 235.331 2.181 10 0 BEAERN COc1cc(OC(F)F)cc(C)c1CO ZINC000575664539 387290904 /nfs/dbraw/zinc/29/09/04/387290904.db2.gz IAPYSNVATOLPNL-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1cc(CO)c(C)cc1OC(F)F ZINC000575664052 387291205 /nfs/dbraw/zinc/29/12/05/387291205.db2.gz AXZDZQXMXSIKRF-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN O=C(C(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000373330010 387357871 /nfs/dbraw/zinc/35/78/71/387357871.db2.gz BSKBQXOLMRUQOZ-ZETCQYMHSA-N 0 0 246.282 2.114 10 0 BEAERN OCc1cc(O)cc(Cl)c1Br ZINC000575676850 387359220 /nfs/dbraw/zinc/35/92/20/387359220.db2.gz VXXKMDOZOMZTQZ-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN Cn1c2ccccc2nc1[C@@H]1CC[C@@H](O)C1 ZINC000575602895 387366922 /nfs/dbraw/zinc/36/69/22/387366922.db2.gz ZTOPDGXPCJVYMK-NXEZZACHSA-N 0 0 216.284 2.202 10 0 BEAERN O=Cc1cc(C(F)(F)C(F)(F)F)no1 ZINC000575601884 387369293 /nfs/dbraw/zinc/36/92/93/387369293.db2.gz ACRUVQZHPHMTKX-UHFFFAOYSA-N 0 0 215.077 2.141 10 0 BEAERN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)C1CCC(=O)CC1 ZINC000648600017 387372298 /nfs/dbraw/zinc/37/22/98/387372298.db2.gz VJXCPPFZEWESKW-KGYLQXTDSA-N 0 0 235.327 2.051 10 0 BEAERN Cn1c(Cl)ncc1C(=O)C(C)(C)C ZINC000575506767 387373125 /nfs/dbraw/zinc/37/31/25/387373125.db2.gz IHCXJKVJNPWADP-UHFFFAOYSA-N 0 0 200.669 2.302 10 0 BEAERN Cc1ccc(C)c(C(N)=O)c1Br ZINC000575687543 387373649 /nfs/dbraw/zinc/37/36/49/387373649.db2.gz JHHHXFRAQKBRBG-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN Cc1cc(Br)c(C)c(C(N)=O)c1 ZINC000575686409 387375899 /nfs/dbraw/zinc/37/58/99/387375899.db2.gz DRNLTIJMUHNIBU-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN COc1cc(Cl)cc(C(N)=O)c1Cl ZINC000575694353 387384700 /nfs/dbraw/zinc/38/47/00/387384700.db2.gz JBUZPARASOUWRR-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN O=Cc1cc(F)cc(C=O)c1Br ZINC000575689133 387377623 /nfs/dbraw/zinc/37/76/23/387377623.db2.gz PCGRLBHRFDRNIV-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN COc1ccc(O)c(OC(F)F)c1C ZINC000575666690 387320081 /nfs/dbraw/zinc/32/00/81/387320081.db2.gz YVMQWEYLIWKMOA-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCc1cc(C=O)c(C(F)F)c(CO)c1 ZINC000575667666 387323940 /nfs/dbraw/zinc/32/39/40/387323940.db2.gz LNZHDDWAXLZCER-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN Fc1ccc2c(c1Br)NCCN2 ZINC000575512112 387382570 /nfs/dbraw/zinc/38/25/70/387382570.db2.gz ZPMVUQFUCPMUQU-UHFFFAOYSA-N 0 0 231.068 2.426 10 0 BEAERN Cc1c(CO)cc(C=O)cc1C(F)F ZINC000575669313 387327850 /nfs/dbraw/zinc/32/78/50/387327850.db2.gz RWYNIOOIEQLYRK-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CC(=O)c1cc(C=O)cc(O)c1C(F)F ZINC000575669598 387328445 /nfs/dbraw/zinc/32/84/45/387328445.db2.gz FFSVMWFBGBQPCP-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN Cc1cc(C(F)F)c(CO)cc1C=O ZINC000575669400 387328605 /nfs/dbraw/zinc/32/86/05/387328605.db2.gz UPBPQYYDZPQLTM-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN COc1cc(O)c(C(F)(F)F)c(OC)c1 ZINC000575671480 387334802 /nfs/dbraw/zinc/33/48/02/387334802.db2.gz KFGOPAFCARMXEA-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1cc(CO)c(C)c(C(F)F)c1 ZINC000575671540 387334921 /nfs/dbraw/zinc/33/49/21/387334921.db2.gz RJLFKOJDZFURSK-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN Brc1noc([C@@H]2C[C@@H]2C2CC2)n1 ZINC000575596294 387340767 /nfs/dbraw/zinc/34/07/67/387340767.db2.gz LUIDLAHLQUDPBU-PHDIDXHHSA-N 0 0 229.077 2.346 10 0 BEAERN COc1cc(C)c(C(N)=O)c(C(F)(F)F)c1 ZINC000575673290 387341796 /nfs/dbraw/zinc/34/17/96/387341796.db2.gz IBOFYKINHHPMIP-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCF ZINC000303392613 387350066 /nfs/dbraw/zinc/35/00/66/387350066.db2.gz DBHKGKZOQHKXMZ-STQMWFEESA-N 0 0 228.355 2.295 10 0 BEAERN Cc1cnn(CCNC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000121446870 387350630 /nfs/dbraw/zinc/35/06/30/387350630.db2.gz IOOZPQNLXUFVOJ-DGCLKSJQSA-N 0 0 249.358 2.134 10 0 BEAERN CC(=O)c1c(N)cc(C(F)(F)F)cc1O ZINC000575719383 387427673 /nfs/dbraw/zinc/42/76/73/387427673.db2.gz SMMUZOCJTMCPRH-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CC[C@H]1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294104 387429615 /nfs/dbraw/zinc/42/96/15/387429615.db2.gz PRTVVJXXIWKMBF-QMMMGPOBSA-N 0 0 210.346 2.377 10 0 BEAERN CC(=O)c1cc(F)c(N)cc1OC(F)F ZINC000575716332 387431792 /nfs/dbraw/zinc/43/17/92/387431792.db2.gz QZWXLMUJSMSKRJ-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN COc1cc(N)cc(C(C)=O)c1C(F)(F)F ZINC000575716261 387432425 /nfs/dbraw/zinc/43/24/25/387432425.db2.gz CEGXWHXXTKQDIC-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CC[C@@H]1C[C@H]1Cn1ccc(=O)[nH]c1=S ZINC000306576365 387436716 /nfs/dbraw/zinc/43/67/16/387436716.db2.gz KDXKBTSDSHDHEP-SFYZADRCSA-N 0 0 210.302 2.364 10 0 BEAERN CCOC(=O)c1cc(N)c(C)c(CC)c1 ZINC000575724438 387438589 /nfs/dbraw/zinc/43/85/89/387438589.db2.gz HFBNVGLULURONH-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN Nc1cc(N)c(Cl)c(OC(F)F)c1 ZINC000575720023 387439683 /nfs/dbraw/zinc/43/96/83/387439683.db2.gz CHSTUQGBZUTZQE-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN CCC1(CNC(=O)N[C@H]2C[C@H]2C)CCC1 ZINC000084156898 387440781 /nfs/dbraw/zinc/44/07/81/387440781.db2.gz KHRNPTDPZHBLCD-ZJUUUORDSA-N 0 0 210.321 2.274 10 0 BEAERN Nc1c(O)ccc(OC(F)F)c1Cl ZINC000575720647 387442640 /nfs/dbraw/zinc/44/26/40/387442640.db2.gz NWDREASLZWGXRR-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1c(Cl)cc(O)cc1Br ZINC000575720555 387442868 /nfs/dbraw/zinc/44/28/68/387442868.db2.gz YVNTYPJWWBKWDR-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CCOc1cc(N)c(Br)c(O)c1 ZINC000575722440 387444356 /nfs/dbraw/zinc/44/43/56/387444356.db2.gz KQZGRRDUABRAPD-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN Nc1cc(Cl)cc(O)c1OC(F)F ZINC000575722199 387444434 /nfs/dbraw/zinc/44/44/34/387444434.db2.gz HLRLAAVOADJXKS-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1cc(N)c(OC)c(OCC)c1 ZINC000575721890 387444800 /nfs/dbraw/zinc/44/48/00/387444800.db2.gz YTJILZLEQWBCDN-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN CCOc1cc(O)c(Br)cc1N ZINC000575723330 387446033 /nfs/dbraw/zinc/44/60/33/387446033.db2.gz VUCDPYUUUHXXCG-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)c1cc(CC)c(N)cc1OCC ZINC000575723849 387447454 /nfs/dbraw/zinc/44/74/54/387447454.db2.gz FRNFFKOYSHZAIA-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)Cc1cc(CC)c(F)cc1N ZINC000575724040 387447728 /nfs/dbraw/zinc/44/77/28/387447728.db2.gz QGFBKAIGNJHLEF-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)Cc1c(N)c(F)ccc1CC ZINC000575723877 387447740 /nfs/dbraw/zinc/44/77/40/387447740.db2.gz HBVMBKSLWGVQGT-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)c1cc(N)cc(OCC)c1C ZINC000575724029 387447773 /nfs/dbraw/zinc/44/77/73/387447773.db2.gz PQPPSXAFACYBKB-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN COc1cc(OC(F)F)c(N)cc1C ZINC000575723581 387447927 /nfs/dbraw/zinc/44/79/27/387447927.db2.gz QUZPIOVLQQEVSI-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(CC)c1N ZINC000575724016 387448173 /nfs/dbraw/zinc/44/81/73/387448173.db2.gz OXWOJALKURDVMU-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)Cc1cc(OCC)c(N)cc1C ZINC000575724179 387448219 /nfs/dbraw/zinc/44/82/19/387448219.db2.gz XZMNENMFAQFBIB-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)c1cc(CC)c(N)cc1OC ZINC000575724304 387449206 /nfs/dbraw/zinc/44/92/06/387449206.db2.gz FMJCUQIMFGPGOH-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN C[C@H]1C[C@@H]1c1coc(I)n1 ZINC000306273373 387451186 /nfs/dbraw/zinc/45/11/86/387451186.db2.gz ZFWZOKTWFKGGLJ-WHFBIAKZSA-N 0 0 249.051 2.403 10 0 BEAERN CCc1cc(OC)c(C(C)=O)c(OC)c1 ZINC000575697208 387399441 /nfs/dbraw/zinc/39/94/41/387399441.db2.gz ZYXBTOZVJBLJHJ-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCOC(=O)Cc1c(Cl)cc(O)cc1OC ZINC000575700592 387403427 /nfs/dbraw/zinc/40/34/27/387403427.db2.gz MTRNEPNWHAVWHR-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCc1ccc(SC)c(C(N)=O)c1F ZINC000575701779 387405047 /nfs/dbraw/zinc/40/50/47/387405047.db2.gz IBQZOUMVNLAWCY-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN O=Cc1cc(CO)c(OC(F)(F)F)cc1F ZINC000575705211 387408348 /nfs/dbraw/zinc/40/83/48/387408348.db2.gz FTKCRTITMGGNHF-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1cc(SC)c(C=O)cc1F ZINC000575707421 387410483 /nfs/dbraw/zinc/41/04/83/387410483.db2.gz AAHZWTCTDKKQII-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COc1cc(F)c(SC)cc1C=O ZINC000575707469 387410653 /nfs/dbraw/zinc/41/06/53/387410653.db2.gz BZXNSUNJSDOTRR-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COc1cc(F)c(SC)c(C=O)c1 ZINC000575707579 387411624 /nfs/dbraw/zinc/41/16/24/387411624.db2.gz FPDMJAAMGCALAN-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN Cc1cc(F)c(C(N)=O)cc1OC(F)(F)F ZINC000575708204 387411751 /nfs/dbraw/zinc/41/17/51/387411751.db2.gz BDUVNIPPJWMLRC-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COc1cc(F)cc(SC)c1CO ZINC000575708507 387412351 /nfs/dbraw/zinc/41/23/51/387412351.db2.gz RBLOQQLFWONHDV-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1cc(OC(F)(F)F)c(F)cc1CO ZINC000575707570 387412648 /nfs/dbraw/zinc/41/26/48/387412648.db2.gz FJKCBIXGGBAIKJ-UHFFFAOYSA-N 0 0 240.152 2.225 10 0 BEAERN COc1c(C=O)ccc(F)c1SC ZINC000575708670 387413545 /nfs/dbraw/zinc/41/35/45/387413545.db2.gz URWCZWXIPISZAX-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN Cc1cc(F)cc(C(N)=O)c1C(F)(F)F ZINC000575710696 387415199 /nfs/dbraw/zinc/41/51/99/387415199.db2.gz TWMKZSAVHBXQBV-UHFFFAOYSA-N 0 0 221.153 2.252 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)c(F)cc1O ZINC000575713591 387417291 /nfs/dbraw/zinc/41/72/91/387417291.db2.gz DSRJUIPRPGYZCS-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN Nc1cc(Br)c(N)cc1Cl ZINC000575719518 387423141 /nfs/dbraw/zinc/42/31/41/387423141.db2.gz FAVRAMXGPAEUIE-UHFFFAOYSA-N 0 0 221.485 2.267 10 0 BEAERN CCOC(=O)c1cc(OC)cc(N)c1CC ZINC000575725387 387461257 /nfs/dbraw/zinc/46/12/57/387461257.db2.gz XSLBELQCCYRAAU-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN O=C1NC(=O)C(=C2CCC(F)(F)CC2)S1 ZINC000584623618 387503022 /nfs/dbraw/zinc/50/30/22/387503022.db2.gz WDOABULSLOQEFF-UHFFFAOYSA-N 0 0 233.239 2.433 10 0 BEAERN CC1(C)CCC[C@@H](NC(N)=S)CC1 ZINC000575529487 387540385 /nfs/dbraw/zinc/54/03/85/387540385.db2.gz ZVXCGYKHBFBVEA-MRVPVSSYSA-N 0 0 200.351 2.179 10 0 BEAERN Cc1cc(C)c(CNC(=O)OC(C)C)cn1 ZINC000397117446 387541044 /nfs/dbraw/zinc/54/10/44/387541044.db2.gz XZBKJEKRBYLPPE-UHFFFAOYSA-N 0 0 222.288 2.333 10 0 BEAERN O=C(c1cccc(=O)[nH]1)N1C[C@H]2CCCCC[C@@H]21 ZINC000374555612 387466971 /nfs/dbraw/zinc/46/69/71/387466971.db2.gz FMEGBFLNJUXHBF-PWSUYJOCSA-N 0 0 246.310 2.192 10 0 BEAERN COc1cc(OC(F)(F)F)cc(C)c1N ZINC000575729243 387469260 /nfs/dbraw/zinc/46/92/60/387469260.db2.gz KHHFZTLAOQATFX-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1c(N)c(O)ccc1C(F)(F)F ZINC000575729213 387469518 /nfs/dbraw/zinc/46/95/18/387469518.db2.gz XIIVFEYRHDVLGR-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1cc(C)c(OC(F)(F)F)cc1CO ZINC000575730155 387469636 /nfs/dbraw/zinc/46/96/36/387469636.db2.gz VDLQFMGXERNFDW-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN Cc1c(N)cc(O)cc1OC(F)(F)F ZINC000575728947 387469815 /nfs/dbraw/zinc/46/98/15/387469815.db2.gz SLQQKVMYDBGWMN-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1c(N)ccc(C)c1OC(F)(F)F ZINC000575728931 387469854 /nfs/dbraw/zinc/46/98/54/387469854.db2.gz HSIPXUQMAXMAKM-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1c(C)ccc(OC(F)(F)F)c1N ZINC000575730151 387470266 /nfs/dbraw/zinc/47/02/66/387470266.db2.gz UURRRMKNKYNRBS-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN CCCC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000035837366 387580407 /nfs/dbraw/zinc/58/04/07/387580407.db2.gz TZIRWAWPMKXSCF-NEPJUHHUSA-N 0 0 203.285 2.459 10 0 BEAERN Cc1nn(C[C@H]2C[C@H]2C)c(N)c1Br ZINC000575539654 387583976 /nfs/dbraw/zinc/58/39/76/387583976.db2.gz YYANMGAOLQNPDI-IYSWYEEDSA-N 0 0 244.136 2.192 10 0 BEAERN Nc1c(Br)cnn1C[C@@H]1CC12CC2 ZINC000575536924 387584922 /nfs/dbraw/zinc/58/49/22/387584922.db2.gz BDTQCRVGXDQGGX-LURJTMIESA-N 0 0 242.120 2.028 10 0 BEAERN O[C@@H](c1cc[nH]c1)c1occc1Br ZINC000575540448 387588707 /nfs/dbraw/zinc/58/87/07/387588707.db2.gz CITDNVQIYHEPCF-QMMMGPOBSA-N 0 0 242.072 2.452 10 0 BEAERN CCc1ccc(NC(=O)c2ccnn2C)cc1F ZINC000122797567 387597544 /nfs/dbraw/zinc/59/75/44/387597544.db2.gz HUXGJTPIVQNGEC-UHFFFAOYSA-N 0 0 247.273 2.374 10 0 BEAERN Cc1conc1NC(=O)[C@@H](C)c1cccnc1 ZINC000123877089 387599262 /nfs/dbraw/zinc/59/92/62/387599262.db2.gz SIAQBGYTMUXKNT-VIFPVBQESA-N 0 0 231.255 2.120 10 0 BEAERN CCCn1cc(CN(C)Cc2cc(C)on2)cn1 ZINC000122923556 387615679 /nfs/dbraw/zinc/61/56/79/387615679.db2.gz VHVRTIGTXHUFGO-UHFFFAOYSA-N 0 0 248.330 2.222 10 0 BEAERN CSCCCCNC(=O)[C@H]1CC1(C)C ZINC000124603795 387627036 /nfs/dbraw/zinc/62/70/36/387627036.db2.gz ALTFJKUXMXIKCZ-SECBINFHSA-N 0 0 215.362 2.292 10 0 BEAERN COC(=O)CN1CC=C(c2cccs2)CC1 ZINC000118006017 387549848 /nfs/dbraw/zinc/54/98/48/387549848.db2.gz SORSFILJNNFQRQ-UHFFFAOYSA-N 0 0 237.324 2.010 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NC(C)(C)C ZINC000117562320 387550352 /nfs/dbraw/zinc/55/03/52/387550352.db2.gz QSTCJWJKUGCYCU-JOYOIKCWSA-N 0 0 233.311 2.466 10 0 BEAERN O=C1COC[C@@H]1c1ccsc1Cl ZINC000575532414 387550818 /nfs/dbraw/zinc/55/08/18/387550818.db2.gz YZQSGNFHJXVKEW-ZCFIWIBFSA-N 0 0 202.662 2.084 10 0 BEAERN CC(C)C(=O)N[C@@H]1CC[C@@H](C)SC1 ZINC000575533390 387554400 /nfs/dbraw/zinc/55/44/00/387554400.db2.gz BPGDUJSIRKXPPV-RKDXNWHRSA-N 0 0 201.335 2.043 10 0 BEAERN S=c1[n-]nc([C@H]2CCCSCC2)o1 ZINC000575536028 387576206 /nfs/dbraw/zinc/57/62/06/387576206.db2.gz HRBLRFLRHLQNGX-LURJTMIESA-N 0 0 216.331 2.359 10 0 BEAERN C[C@@H]1CC[C@@H](N2CN=NC2=S)CS1 ZINC000575536121 387576784 /nfs/dbraw/zinc/57/67/84/387576784.db2.gz TVNXYADSEYJAJC-RNFRBKRXSA-N 0 0 215.347 2.023 10 0 BEAERN NNc1ccc(Br)c(F)c1F ZINC000575536209 387577344 /nfs/dbraw/zinc/57/73/44/387577344.db2.gz XGPVJKHFOYBBMJ-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN CCc1ccc(C(=O)N2CC[C@@H](CCO)C2)cc1 ZINC000123034589 387639116 /nfs/dbraw/zinc/63/91/16/387639116.db2.gz YNJFTHKXMLLWBX-ZDUSSCGKSA-N 0 0 247.338 2.094 10 0 BEAERN CC(=O)CCN1CCO[C@@H](c2ccccc2)C1 ZINC000125013003 387641074 /nfs/dbraw/zinc/64/10/74/387641074.db2.gz ZJCFJUDGJPTMSR-CQSZACIVSA-N 0 0 233.311 2.039 10 0 BEAERN S=C1N=NC(c2ncccc2Cl)O1 ZINC000575550466 387644155 /nfs/dbraw/zinc/64/41/55/387644155.db2.gz RTUXLTMUGHRMGN-UHFFFAOYSA-N 0 0 213.649 2.074 10 0 BEAERN O=C(CCc1ccccc1Cl)N1CCCO1 ZINC000125464035 387656459 /nfs/dbraw/zinc/65/64/59/387656459.db2.gz LDDPSRUXVLWNTQ-UHFFFAOYSA-N 0 0 239.702 2.437 10 0 BEAERN CCC[C@H](O)CNC(=O)CCc1ccc(C)cc1 ZINC000126317387 387680554 /nfs/dbraw/zinc/68/05/54/387680554.db2.gz GHFDKZDOOAOZLB-AWEZNQCLSA-N 0 0 249.354 2.205 10 0 BEAERN C[C@@H](NC(=O)c1cnn2c1CCCC2)C(C)(C)C ZINC000126819201 387696267 /nfs/dbraw/zinc/69/62/67/387696267.db2.gz AJULFRHWAGABBE-SNVBAGLBSA-N 0 0 249.358 2.384 10 0 BEAERN CC(C)C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000128876783 387756197 /nfs/dbraw/zinc/75/61/97/387756197.db2.gz GWADHZLNSMBOHS-CMPLNLGQSA-N 0 0 233.311 2.323 10 0 BEAERN O=Cc1cnc([C@H]2CC2(Cl)Cl)o1 ZINC000575572030 387747039 /nfs/dbraw/zinc/74/70/39/387747039.db2.gz LSFHUFMLZDQGQQ-RXMQYKEDSA-N 0 0 206.028 2.148 10 0 BEAERN CC1(C)C[C@@H]1Cn1ncc(Br)c1N ZINC000575574075 387750526 /nfs/dbraw/zinc/75/05/26/387750526.db2.gz HDBBTBGXDIXXIA-ZCFIWIBFSA-N 0 0 244.136 2.274 10 0 BEAERN CCCC1(CNC(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000128577883 387750994 /nfs/dbraw/zinc/75/09/94/387750994.db2.gz KDNPRHILXBKTBF-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN Nc1n[nH]c(-c2ccc(Br)o2)c1F ZINC000575574197 387752928 /nfs/dbraw/zinc/75/29/28/387752928.db2.gz LQWDBRHMAJUQNX-UHFFFAOYSA-N 0 0 246.039 2.154 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)c1cnn2c1CCCC2 ZINC000126833817 387697883 /nfs/dbraw/zinc/69/78/83/387697883.db2.gz WKXQPOGCSAJVRI-JTQLQIEISA-N 0 0 247.342 2.138 10 0 BEAERN Cc1cc([C@]2([NH3+])CCS[C@@H]2C)sn1 ZINC000575560188 387701726 /nfs/dbraw/zinc/70/17/26/387701726.db2.gz JDENQBIJCXTZSA-APPZFPTMSA-N 0 0 214.359 2.131 10 0 BEAERN Cc1cc(C)cc(Cc2nsc(N)n2)c1 ZINC000053749399 177902933 /nfs/dbraw/zinc/90/29/33/177902933.db2.gz JMCRWLYHNAUJSC-UHFFFAOYSA-N 0 0 219.313 2.328 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1CCCS1 ZINC000306818806 387710710 /nfs/dbraw/zinc/71/07/10/387710710.db2.gz FTXYHRHBBRKTSG-DTWKUNHWSA-N 0 0 201.335 2.043 10 0 BEAERN CCCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127992841 387731066 /nfs/dbraw/zinc/73/10/66/387731066.db2.gz OEOPFJMALHJZSW-JSGCOSHPSA-N 0 0 239.359 2.330 10 0 BEAERN C[C@@H](NN)c1cc(Cl)cc(F)c1F ZINC000575569988 387735689 /nfs/dbraw/zinc/73/56/89/387735689.db2.gz JDVBNHWYIABYHK-SCSAIBSYSA-N 0 0 206.623 2.143 10 0 BEAERN C[C@H](NN)c1cc(Cl)cc(F)c1F ZINC000575569974 387735919 /nfs/dbraw/zinc/73/59/19/387735919.db2.gz JDVBNHWYIABYHK-BYPYZUCNSA-N 0 0 206.623 2.143 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000046218187 387742128 /nfs/dbraw/zinc/74/21/28/387742128.db2.gz UKOYICLDYAQKSX-AXFHLTTASA-N 0 0 213.321 2.106 10 0 BEAERN O=C(c1ncccc1O)N1C[C@H]2CCCCC[C@@H]21 ZINC000378086584 387763829 /nfs/dbraw/zinc/76/38/29/387763829.db2.gz PGXOHACVCPJLPU-MNOVXSKESA-N 0 0 246.310 2.192 10 0 BEAERN C[C@H]1CC[C@H](c2nc(-c3ccccn3)no2)O1 ZINC000129139388 387764682 /nfs/dbraw/zinc/76/46/82/387764682.db2.gz UMUHDYWTGQGWJV-WCBMZHEXSA-N 0 0 231.255 2.372 10 0 BEAERN C[C@@H](Nc1ncncc1Cl)[C@@H]1CCCO1 ZINC000163584486 387776904 /nfs/dbraw/zinc/77/69/04/387776904.db2.gz LPGZZEWYFNXGQD-APPZFPTMSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1cc(C)c2ncc3c(N)n[nH]c3c2c1 ZINC000072236963 177887091 /nfs/dbraw/zinc/88/70/91/177887091.db2.gz RBCGWFOBOODVEJ-UHFFFAOYSA-N 0 0 212.256 2.310 10 0 BEAERN Cc1ccc(C(=O)NCc2cscn2)c(O)c1 ZINC000050408684 387793256 /nfs/dbraw/zinc/79/32/56/387793256.db2.gz WCOYVLIYOAVENK-UHFFFAOYSA-N 0 0 248.307 2.087 10 0 BEAERN CCC[C@H](NC(C)C)C(=O)OC(C)(C)C ZINC000157494398 387805969 /nfs/dbraw/zinc/80/59/69/387805969.db2.gz DUYYUWMSBGVXMU-JTQLQIEISA-N 0 0 215.337 2.495 10 0 BEAERN O=C([C@H]1CC=CCC1)N1CCC[C@@H]1CCCO ZINC000052759180 387808934 /nfs/dbraw/zinc/80/89/34/387808934.db2.gz JGTLRAPGJWNGPD-QWHCGFSZSA-N 0 0 237.343 2.106 10 0 BEAERN N#Cc1c(F)c(OC(F)(F)F)ccc1CO ZINC000575644560 387872907 /nfs/dbraw/zinc/87/29/07/387872907.db2.gz AFAKJZTWERTNJA-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN N#CC1(NC2(C#N)CCCC2)CCCC1 ZINC000238540691 387873024 /nfs/dbraw/zinc/87/30/24/387873024.db2.gz ZBMIMKJAFNYLKH-UHFFFAOYSA-N 0 0 203.289 2.249 10 0 BEAERN COC(=O)c1c(OC)cc(N)cc1C(F)(F)F ZINC000575638639 387832597 /nfs/dbraw/zinc/83/25/97/387832597.db2.gz BGZCRNGWDSWOMO-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1ccc(OC(F)(F)F)c(N)c1[N+](=O)[O-] ZINC000575637570 387832688 /nfs/dbraw/zinc/83/26/88/387832688.db2.gz FTLTZEORIJMJHU-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1c(CO)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575638131 387832758 /nfs/dbraw/zinc/83/27/58/387832758.db2.gz LOHWZHPOBVDEMS-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(C#N)c(OC)cc1OCC ZINC000575637663 387832890 /nfs/dbraw/zinc/83/28/90/387832890.db2.gz DGKPLXXDTWYLIV-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN Cc1cc([N+](=O)[O-])c(CO)c(C(F)(F)F)c1 ZINC000575638252 387833458 /nfs/dbraw/zinc/83/34/58/387833458.db2.gz OZTMIDGGPMDEDN-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COc1cc(OC(F)F)cc(F)c1C#N ZINC000575638745 387833559 /nfs/dbraw/zinc/83/35/59/387833559.db2.gz AHKFYDCXTDAIDP-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1c(C(C)=O)ccc(C#N)c1OC(F)F ZINC000575639152 387835087 /nfs/dbraw/zinc/83/50/87/387835087.db2.gz DQUFQUFSQLDXNF-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1c(C#N)ccc(CO)c1OC(F)F ZINC000575639266 387836101 /nfs/dbraw/zinc/83/61/01/387836101.db2.gz PRSUMMNNBXUZIY-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN N#Cc1ccc(C=O)c(OC(F)F)c1F ZINC000575640256 387838504 /nfs/dbraw/zinc/83/85/04/387838504.db2.gz MWGGWAVTDFSXHN-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC(=O)c1c(N)cc(OC)cc1C(F)(F)F ZINC000575639707 387838629 /nfs/dbraw/zinc/83/86/29/387838629.db2.gz JMHLDBKYQBLHRM-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1c(CO)ccc(C#N)c1C(F)F ZINC000575640394 387839385 /nfs/dbraw/zinc/83/93/85/387839385.db2.gz GNNGJWSSEOPFJU-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(OC(F)F)c(C#N)cc1CO ZINC000575640421 387839425 /nfs/dbraw/zinc/83/94/25/387839425.db2.gz YQTZSBUXADDWPM-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COc1cc(OC(F)F)cc(C#N)c1F ZINC000575640393 387839747 /nfs/dbraw/zinc/83/97/47/387839747.db2.gz OELBHFSWBNTGER-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)c1cc(C)cc(N)c1OC(F)(F)F ZINC000575640557 387839847 /nfs/dbraw/zinc/83/98/47/387839847.db2.gz NJOREZTXROBGRQ-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOc1ccc(CO)c(C#N)c1C(F)F ZINC000575641089 387840607 /nfs/dbraw/zinc/84/06/07/387840607.db2.gz JZFLJAUFPIIAIS-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1c(C#N)c(F)ccc1OC(F)F ZINC000575640983 387841061 /nfs/dbraw/zinc/84/10/61/387841061.db2.gz RPHVJBLFBIFHHT-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1cc(C#N)c(OC(F)F)cc1C(C)=O ZINC000575641026 387841118 /nfs/dbraw/zinc/84/11/18/387841118.db2.gz SMZDOJVWUVVQKA-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1cc(C=O)c(C#N)cc1OC(F)F ZINC000575641133 387841286 /nfs/dbraw/zinc/84/12/86/387841286.db2.gz NJSUZSAWSIKHDM-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN N#CCc1cc(OC(F)F)c(C#N)cc1C=O ZINC000575641014 387841514 /nfs/dbraw/zinc/84/15/14/387841514.db2.gz SHVGKBJZPWAQHI-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN N#Cc1c(C=O)ccc(F)c1OC(F)F ZINC000575641073 387841658 /nfs/dbraw/zinc/84/16/58/387841658.db2.gz UJBKZAKMAUGGPW-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC(=O)c1cc(OC)cc(C(F)(F)F)c1N ZINC000575639891 387842475 /nfs/dbraw/zinc/84/24/75/387842475.db2.gz LKMROJMTHMUEJB-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COC(=O)c1cc(C)c(N)c(C(F)(F)F)c1 ZINC000575639675 387842569 /nfs/dbraw/zinc/84/25/69/387842569.db2.gz JEWRLWJDDPKERQ-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC(=O)c1cc(N)c(C(F)(F)F)cc1C ZINC000575641581 387842749 /nfs/dbraw/zinc/84/27/49/387842749.db2.gz WRCYMDCFRMIBPO-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN N#Cc1ccc(CO)c(F)c1C(F)F ZINC000575642425 387842872 /nfs/dbraw/zinc/84/28/72/387842872.db2.gz BIIHLOFSBXURAV-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN N#CCc1cc(C#N)c(OC(F)F)cc1C=O ZINC000575641718 387843043 /nfs/dbraw/zinc/84/30/43/387843043.db2.gz XVQTXHWXTSJDQA-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN COc1c(C(C)=O)ccc(OC(F)F)c1C#N ZINC000575641779 387844572 /nfs/dbraw/zinc/84/45/72/387844572.db2.gz YPESPRAOXUAXOF-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(CO)cc(C(F)F)c1C#N ZINC000575642309 387845415 /nfs/dbraw/zinc/84/54/15/387845415.db2.gz YONSVPLKPNVLAV-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN N#Cc1cc(F)cc(OC(F)F)c1C=O ZINC000575641560 387846111 /nfs/dbraw/zinc/84/61/11/387846111.db2.gz WAPXIFYKUCGVBB-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCOc1ccc(C(F)F)c(CO)c1C#N ZINC000575642120 387846248 /nfs/dbraw/zinc/84/62/48/387846248.db2.gz SATSJKCUFZBCFT-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(C#N)c(CO)c(C(F)F)c1 ZINC000575642196 387846322 /nfs/dbraw/zinc/84/63/22/387846322.db2.gz UECZRKAWDFZGQP-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(C=O)cc(CC)c1C#N ZINC000575643140 387865776 /nfs/dbraw/zinc/86/57/76/387865776.db2.gz NHPRULZMINKCEX-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)c(C=O)c(CC)c1 ZINC000575643213 387867516 /nfs/dbraw/zinc/86/75/16/387867516.db2.gz MIFWVPOWPGKZSL-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C)c(C(C)=O)cc1C#N ZINC000575644548 387872165 /nfs/dbraw/zinc/87/21/65/387872165.db2.gz CJWOLAWESKJICX-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1c(C#N)ccc(C=O)c1CC ZINC000575644351 387872462 /nfs/dbraw/zinc/87/24/62/387872462.db2.gz XKPKWQIMVYAKLF-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1cc(CO)cc(F)c1C(F)F ZINC000575644512 387872785 /nfs/dbraw/zinc/87/27/85/387872785.db2.gz ZEXMTPGBXCNPDE-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCOc1c(C(C)=O)cc(C#N)cc1[N+](=O)[O-] ZINC000575650002 387889590 /nfs/dbraw/zinc/88/95/90/387889590.db2.gz QIQQMJDKVJSGTD-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN N#Cc1cc(F)c(C(F)(F)F)c(CO)c1 ZINC000575650647 387890190 /nfs/dbraw/zinc/89/01/90/387890190.db2.gz ZFYHQEWESKDKSO-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN N#Cc1c(F)cc(CO)cc1C(F)(F)F ZINC000575648087 387891233 /nfs/dbraw/zinc/89/12/33/387891233.db2.gz ODICJNXMXUZSMP-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN COc1c(C#N)cc(C=O)cc1OC(F)(F)F ZINC000575650762 387891863 /nfs/dbraw/zinc/89/18/63/387891863.db2.gz VHKIQLRNWMWQHA-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN Cc1c(CO)cc(C#N)cc1C(F)(F)F ZINC000575648186 387893498 /nfs/dbraw/zinc/89/34/98/387893498.db2.gz OEQYTHYVUSVVHM-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN CCc1cc(O)cc(CO)c1OC(F)F ZINC000575653303 387894445 /nfs/dbraw/zinc/89/44/45/387894445.db2.gz FAGOXLHMWXJBSK-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(C=O)cc(OC(F)F)c1O ZINC000575653377 387895761 /nfs/dbraw/zinc/89/57/61/387895761.db2.gz GCYNYPLJAHGPQQ-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1c(O)cc(OC(F)F)cc1C=O ZINC000575653481 387896121 /nfs/dbraw/zinc/89/61/21/387896121.db2.gz JDCJOJNKZRFJTA-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1c(F)cc(CO)cc1OC(F)F ZINC000575653492 387896600 /nfs/dbraw/zinc/89/66/00/387896600.db2.gz JOCPZKQFVTYOGN-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1c(O)c(CO)ccc1OC(F)F ZINC000575653784 387896668 /nfs/dbraw/zinc/89/66/68/387896668.db2.gz ONJSWIHFCXXNSL-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(F)cc(CO)c1OC(F)F ZINC000575653870 387896722 /nfs/dbraw/zinc/89/67/22/387896722.db2.gz PXNGLCVMRBYNFW-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(OC(F)F)cc(O)c1C=O ZINC000575654074 387897376 /nfs/dbraw/zinc/89/73/76/387897376.db2.gz UVOJNHRMZNBTIS-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(CO)cc(OC(F)F)c1F ZINC000575653919 387897521 /nfs/dbraw/zinc/89/75/21/387897521.db2.gz QZQUVVHXNAALQM-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN COc1cc(C=O)c(C#N)cc1OC(F)(F)F ZINC000575645918 387876093 /nfs/dbraw/zinc/87/60/93/387876093.db2.gz FEKIHDFLVXUQFH-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCc1cc(OC)cc(C#N)c1C(C)=O ZINC000575644933 387878070 /nfs/dbraw/zinc/87/80/70/387878070.db2.gz KKZLRAUBOLFCAG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN C=Cn1cc(CN[C@@H]2COc3ccccc32)cn1 ZINC000194353519 387879552 /nfs/dbraw/zinc/87/95/52/387879552.db2.gz GWRRYTZPBNWPJI-CYBMUJFWSA-N 0 0 241.294 2.207 10 0 BEAERN CCc1cc(C#N)c(C(C)=O)cc1C=O ZINC000575646134 387879647 /nfs/dbraw/zinc/87/96/47/387879647.db2.gz MKNGBQNTDOTUPN-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN COc1c(CO)ccc(C(F)(F)F)c1C#N ZINC000575645182 387879651 /nfs/dbraw/zinc/87/96/51/387879651.db2.gz ATVRJQXVYKDKOR-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1c(C#N)cc(C=O)cc1C(C)=O ZINC000575646437 387880594 /nfs/dbraw/zinc/88/05/94/387880594.db2.gz NQSWPWGUOBZDRW-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCc1c(C#N)c(C(C)=O)ccc1[N+](=O)[O-] ZINC000575646819 387881915 /nfs/dbraw/zinc/88/19/15/387881915.db2.gz JORBYSFCSGOJMO-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN COc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C#N ZINC000575647845 387883099 /nfs/dbraw/zinc/88/30/99/387883099.db2.gz IILXJTGCJLANHL-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN N#CCc1cc(C#N)c(C(F)(F)F)cc1C=O ZINC000575647871 387883438 /nfs/dbraw/zinc/88/34/38/387883438.db2.gz OZYHKPDOKFBGHL-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN COc1c([N+](=O)[O-])cc(C#N)cc1C(F)(F)F ZINC000575647511 387883787 /nfs/dbraw/zinc/88/37/87/387883787.db2.gz GFJUHWBLVANHTG-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN CCc1cc(C=O)cc(C#N)c1C(C)=O ZINC000575648729 387884909 /nfs/dbraw/zinc/88/49/09/387884909.db2.gz ZFNRYMJRPBNMTL-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCOc1c(C#N)cc(C(C)=O)cc1[N+](=O)[O-] ZINC000575648904 387885102 /nfs/dbraw/zinc/88/51/02/387885102.db2.gz MAPUHNPDKITCFF-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN N#Cc1cc(F)cc(C=O)c1OC(F)(F)F ZINC000575648817 387885326 /nfs/dbraw/zinc/88/53/26/387885326.db2.gz QJWZBVGFESOXBZ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CC[C@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000194602782 387886518 /nfs/dbraw/zinc/88/65/18/387886518.db2.gz WXAAZPBANNQTDW-ONGXEEELSA-N 0 0 234.299 2.218 10 0 BEAERN N#CCc1cc(C=O)c(C#N)cc1C(F)(F)F ZINC000575649510 387888171 /nfs/dbraw/zinc/88/81/71/387888171.db2.gz VKTOTXGQSKOIRD-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCOc1cc(C#N)c([N+](=O)[O-])c(OCC)c1 ZINC000575651416 387899933 /nfs/dbraw/zinc/89/99/33/387899933.db2.gz XLXLBDLUSIGUKY-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000452721524 387900110 /nfs/dbraw/zinc/90/01/10/387900110.db2.gz VXRTWHXOYDXYIV-SDDRHHMPSA-N 0 0 227.348 2.040 10 0 BEAERN CCOCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000194885308 387900217 /nfs/dbraw/zinc/90/02/17/387900217.db2.gz KAIMGJKTWKYDNM-GFCCVEGCSA-N 0 0 249.310 2.053 10 0 BEAERN OCc1cc(C(F)F)cc(OC(F)F)c1O ZINC000575652223 387900521 /nfs/dbraw/zinc/90/05/21/387900521.db2.gz MDHRFJMFFJKFIX-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN OCc1cc(OC(F)F)c(O)c(C(F)F)c1 ZINC000575651898 387900691 /nfs/dbraw/zinc/90/06/91/387900691.db2.gz GGVPRWAHZPPYJQ-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Cc1csc(C2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000194951403 387900988 /nfs/dbraw/zinc/90/09/88/387900988.db2.gz XTUMKSIEPACPPP-JTQLQIEISA-N 0 0 240.372 2.012 10 0 BEAERN COc1cc(O)cc(OC)c1OC(F)F ZINC000575652227 387901344 /nfs/dbraw/zinc/90/13/44/387901344.db2.gz CJEITXALPPNZKV-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN Brc1ccn(Cc2ccco2)n1 ZINC000306364723 387914898 /nfs/dbraw/zinc/91/48/98/387914898.db2.gz CZBQFFMHUOSTGC-UHFFFAOYSA-N 0 0 227.061 2.287 10 0 BEAERN CCn1nccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245540919 387953758 /nfs/dbraw/zinc/95/37/58/387953758.db2.gz NIGLPWNAPSCJRQ-ZIAGYGMSSA-N 0 0 249.358 2.046 10 0 BEAERN C[C@@H](CC(=O)N[C@@H](C)c1nc[nH]n1)C(C)(C)C ZINC000225059872 387940560 /nfs/dbraw/zinc/94/05/60/387940560.db2.gz HWMPAKKHTQDCKP-IUCAKERBSA-N 0 0 238.335 2.054 10 0 BEAERN Cc1cc(C)c(-c2cnnc(N)n2)c(C)c1 ZINC000036722168 177834513 /nfs/dbraw/zinc/83/45/13/177834513.db2.gz MQFLPCJINDQDLU-UHFFFAOYSA-N 0 0 214.272 2.046 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000245950436 387995946 /nfs/dbraw/zinc/99/59/46/387995946.db2.gz AUDLYZNIOXZQSH-JFGNBEQYSA-N 0 0 237.299 2.333 10 0 BEAERN C[C@@H](N(C)C(=O)[C@H]1CC[C@@H](C)O1)C1(C)CC1 ZINC000245988289 388001367 /nfs/dbraw/zinc/00/13/67/388001367.db2.gz HXAWTWBTJQNNEI-GMTAPVOTSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC2(C)C)O1 ZINC000245960248 387996650 /nfs/dbraw/zinc/99/66/50/387996650.db2.gz CSLREDOMCAWKEG-MXWKQRLJSA-N 0 0 225.332 2.249 10 0 BEAERN COC(=O)Cc1cccc2nc(C)sc21 ZINC000238395968 388020653 /nfs/dbraw/zinc/02/06/53/388020653.db2.gz IHRSGYPOGRLJIZ-UHFFFAOYSA-N 0 0 221.281 2.320 10 0 BEAERN COc1nc(OC(F)(F)F)ccc1F ZINC000238396694 388020737 /nfs/dbraw/zinc/02/07/37/388020737.db2.gz PLDQXZQFIFSRHL-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN C[C@@H]1CN(c2ncc(C=O)s2)C[C@H](C)S1 ZINC000069909900 388041895 /nfs/dbraw/zinc/04/18/95/388041895.db2.gz FUILZSCHJRREAY-OCAPTIKFSA-N 0 0 242.369 2.286 10 0 BEAERN C[C@@H]1CN(c2ncc(C=O)s2)C[C@@H](C)S1 ZINC000069909902 388042309 /nfs/dbraw/zinc/04/23/09/388042309.db2.gz FUILZSCHJRREAY-HTQZYQBOSA-N 0 0 242.369 2.286 10 0 BEAERN c1ncn([C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)n1 ZINC000246282172 388027916 /nfs/dbraw/zinc/02/79/16/388027916.db2.gz SQOSOKJVZSZJFB-OLZOCXBDSA-N 0 0 232.331 2.024 10 0 BEAERN CCn1ccnc1CSCc1ccon1 ZINC000083633845 388056671 /nfs/dbraw/zinc/05/66/71/388056671.db2.gz AFUXHUYKRHXJJP-UHFFFAOYSA-N 0 0 223.301 2.324 10 0 BEAERN Clc1cc2nnc([C@@H]3CCCS3)n2cn1 ZINC000069985554 388077416 /nfs/dbraw/zinc/07/74/16/388077416.db2.gz BGTHMIFWCLSYHY-LURJTMIESA-N 0 0 240.719 2.346 10 0 BEAERN CC(C)CN(Cc1nnc(C2CC2)n1C)C1CC1 ZINC000195060625 388085825 /nfs/dbraw/zinc/08/58/25/388085825.db2.gz QAVIDLLDJRLSHJ-UHFFFAOYSA-N 0 0 248.374 2.313 10 0 BEAERN CSCC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000055479935 388091709 /nfs/dbraw/zinc/09/17/09/388091709.db2.gz VFWDEJZBTQJYFP-ZJUUUORDSA-N 0 0 215.362 2.292 10 0 BEAERN CCn1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000085631543 388093046 /nfs/dbraw/zinc/09/30/46/388093046.db2.gz ZNGWDCHSQOOKRI-TUAOUCFPSA-N 0 0 235.331 2.128 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCc2sccc2C1 ZINC000170807878 388106630 /nfs/dbraw/zinc/10/66/30/388106630.db2.gz ZMUHBVFHTCBCJQ-SCZZXKLOSA-N 0 0 236.340 2.224 10 0 BEAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(F)(F)F ZINC000086930607 388111630 /nfs/dbraw/zinc/11/16/30/388111630.db2.gz HDMQXWFULGEORO-NXEZZACHSA-N 0 0 236.281 2.107 10 0 BEAERN Clc1cccnc1NCc1ncc[nH]1 ZINC000070646559 388161516 /nfs/dbraw/zinc/16/15/16/388161516.db2.gz JWZIHSGEYBGNFK-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN Cc1nc(C)c(CN2[C@H](C)COC[C@H]2C)s1 ZINC000172833189 388172946 /nfs/dbraw/zinc/17/29/46/388172946.db2.gz ALWBHQFTMPPGAP-RKDXNWHRSA-N 0 0 240.372 2.369 10 0 BEAERN O=C([O-])C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000013362650 388131965 /nfs/dbraw/zinc/13/19/65/388131965.db2.gz XRPUIVBDAUBLTF-UHFFFAOYSA-N 0 0 235.258 2.042 10 0 BEAERN CCn1c2ccccc2nc1[S@](=N)(=O)CC ZINC000521399877 256516508 /nfs/dbraw/zinc/51/65/08/256516508.db2.gz WTIWZRMDSAYXSR-MRXNPFEDSA-N 0 0 237.328 2.482 10 0 BEAERN CC(=O)Nc1cc(C=O)cc(C(F)(F)F)c1 ZINC000095764454 256586864 /nfs/dbraw/zinc/58/68/64/256586864.db2.gz XAWFKFNVXBBHPZ-UHFFFAOYSA-N 0 0 231.173 2.476 10 0 BEAERN Cc1coc(C)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000170232234 388270689 /nfs/dbraw/zinc/27/06/89/388270689.db2.gz BNUNWJXPTCEJTH-NXEZZACHSA-N 0 0 237.299 2.146 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ncnc(N)c1Cl ZINC000233448005 388346829 /nfs/dbraw/zinc/34/68/29/388346829.db2.gz YEIQNCNOAISTEW-BQBZGAKWSA-N 0 0 226.711 2.313 10 0 BEAERN Cc1cccnc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000057294038 388355977 /nfs/dbraw/zinc/35/59/77/388355977.db2.gz IPMJGKPQMTUMEG-QWRGUYRKSA-N 0 0 249.314 2.031 10 0 BEAERN O=C1NCC[C@@H]1Cc1ccsc1Cl ZINC000575525224 388359503 /nfs/dbraw/zinc/35/95/03/388359503.db2.gz CTBKJLZYCVNUAT-SSDOTTSWSA-N 0 0 215.705 2.080 10 0 BEAERN Clc1nsnc1NC[C@H]1CCSC1 ZINC000228600063 388386288 /nfs/dbraw/zinc/38/62/88/388386288.db2.gz UVTTVCLGYCNTII-RXMQYKEDSA-N 0 0 235.765 2.357 10 0 BEAERN C[C@@H](C(=O)Nc1ccc(=O)[nH]c1)C(C)(F)F ZINC000294507675 388400966 /nfs/dbraw/zinc/40/09/66/388400966.db2.gz BNUMTCOCPWHEKF-LURJTMIESA-N 0 0 230.214 2.017 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C(C)(C)C ZINC000175734444 388439762 /nfs/dbraw/zinc/43/97/62/388439762.db2.gz KRGLRSVVECSXKQ-SECBINFHSA-N 0 0 243.347 2.221 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000648851645 388469401 /nfs/dbraw/zinc/46/94/01/388469401.db2.gz HZAWGNUBVUEQCK-FRRDWIJNSA-N 0 0 241.375 2.478 10 0 BEAERN CC[C@@H](CC(C)C)C(=O)N1CC[C@@H](CCO)C1 ZINC000307985758 388429357 /nfs/dbraw/zinc/42/93/57/388429357.db2.gz CPAXNFWETLLMIZ-STQMWFEESA-N 0 0 241.375 2.290 10 0 BEAERN COC(=O)[C@H](NCc1ccccc1)C(C)(C)C ZINC000041121201 388432095 /nfs/dbraw/zinc/43/20/95/388432095.db2.gz MOGFCNWFZDTSOT-LBPRGKRZSA-N 0 0 235.327 2.364 10 0 BEAERN CC(C)OC(=O)N1CCCO[C@H](C(C)C)C1 ZINC000393514620 388432393 /nfs/dbraw/zinc/43/23/93/388432393.db2.gz KKDPBWNNMLDWEP-NSHDSACASA-N 0 0 229.320 2.278 10 0 BEAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)N(C)C ZINC000041424170 388435913 /nfs/dbraw/zinc/43/59/13/388435913.db2.gz LPDYRJPGMIDCQW-DGCLKSJQSA-N 0 0 248.326 2.130 10 0 BEAERN Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n[nH]1 ZINC000246089406 388438133 /nfs/dbraw/zinc/43/81/33/388438133.db2.gz MRSMGRWYDADUOA-IRUJWGPZSA-N 0 0 249.358 2.202 10 0 BEAERN COC(=O)N1CC(C)(C)c2ccc(N)cc21 ZINC000066054914 388547544 /nfs/dbraw/zinc/54/75/44/388547544.db2.gz HHZAUFYFQASEAQ-UHFFFAOYSA-N 0 0 220.272 2.133 10 0 BEAERN CC(C)C1(N[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000339519868 388485460 /nfs/dbraw/zinc/48/54/60/388485460.db2.gz VBLJHSSCSSUOEY-JTQLQIEISA-N 0 0 227.348 2.495 10 0 BEAERN CC[C@H](C)CN(CC)C(=O)[C@@H](C)COC ZINC000177983888 388494284 /nfs/dbraw/zinc/49/42/84/388494284.db2.gz JFTKLYNVRFDKFF-QWRGUYRKSA-N 0 0 215.337 2.164 10 0 BEAERN Cc1ccc(CCC(=O)N(C)CC[C@@H](C)O)cc1 ZINC000135608642 388503039 /nfs/dbraw/zinc/50/30/39/388503039.db2.gz YJKFLHFRIBHYGS-CYBMUJFWSA-N 0 0 249.354 2.157 10 0 BEAERN COCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088234411 256808157 /nfs/dbraw/zinc/80/81/57/256808157.db2.gz NAHQLQQJRUVKNT-JTQLQIEISA-N 0 0 239.290 2.348 10 0 BEAERN Nc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000082308050 388587140 /nfs/dbraw/zinc/58/71/40/388587140.db2.gz FEIKPSMAANNEJK-UHFFFAOYSA-N 0 0 243.291 2.005 10 0 BEAERN O=C1N[C@H]2CCCC[C@H]2c2ccccc21 ZINC000001595651 388587144 /nfs/dbraw/zinc/58/71/44/388587144.db2.gz CQQBPJQEIHYWQX-JQWIXIFHSA-N 0 0 201.269 2.456 10 0 in-vivo BEAERN CC[C@@H](C)NS(=O)(=O)CCCC(F)(F)F ZINC000215014365 135218288 /nfs/dbraw/zinc/21/82/88/135218288.db2.gz GQGMREHZDJBOKA-SSDOTTSWSA-N 0 0 247.282 2.047 10 0 BEAERN CCC[C@@H]1CNCc2cccc3[nH]c(=O)n1c32 ZINC000006381053 388593530 /nfs/dbraw/zinc/59/35/30/388593530.db2.gz LTMZADWDPBDVEA-SNVBAGLBSA-N 0 0 231.299 2.186 10 0 BEAERN CCOC(=O)c1cncc(OC)c1C(F)(F)F ZINC000575397504 388617506 /nfs/dbraw/zinc/61/75/06/388617506.db2.gz ZTWWWAWNAMJPMC-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN OCc1cccc(-c2cnc(Cl)nc2)c1F ZINC000220113746 388601306 /nfs/dbraw/zinc/60/13/06/388601306.db2.gz BALMITVIOWJCIA-UHFFFAOYSA-N 0 0 238.649 2.428 10 0 BEAERN C[C@H]1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1C ZINC000245897499 388609560 /nfs/dbraw/zinc/60/95/60/388609560.db2.gz KQLQUULYXQSPJM-WDEREUQCSA-N 0 0 248.374 2.170 10 0 BEAERN CC(C)(C)[C@H](O)Cn1ccnc1C1CC1 ZINC000530130085 388613870 /nfs/dbraw/zinc/61/38/70/388613870.db2.gz NPRRHUBKMBXMQF-SNVBAGLBSA-N 0 0 208.305 2.168 10 0 BEAERN CC(=O)N1CCC(=O)c2cc(OC(C)C)ccc21 ZINC000521399972 256863066 /nfs/dbraw/zinc/86/30/66/256863066.db2.gz JRDSREPUPUNSPO-UHFFFAOYSA-N 0 0 247.294 2.413 10 0 BEAERN CCN(CC)C(=O)NC[C@H](C)C(C)C ZINC000125408726 388672261 /nfs/dbraw/zinc/67/22/61/388672261.db2.gz UNBNPKHCKYXADP-JTQLQIEISA-N 0 0 200.326 2.330 10 0 BEAERN COC(=O)c1ccc(-c2cnc(N)s2)cc1 ZINC000066338789 388681830 /nfs/dbraw/zinc/68/18/30/388681830.db2.gz GEYDIQMNBJUHMD-UHFFFAOYSA-N 0 0 234.280 2.179 10 0 BEAERN COC(=O)c1cccc2nc(C)ccc21 ZINC000575436276 388621517 /nfs/dbraw/zinc/62/15/17/388621517.db2.gz DEOKCJAKDSEEEC-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN CC(C)(C)[C@@H]1COC(c2ccccn2)=N1 ZINC000196469117 388622428 /nfs/dbraw/zinc/62/24/28/388622428.db2.gz JDOAIDZRVWJBEG-JTQLQIEISA-N 0 0 204.273 2.273 10 0 BEAERN COC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000062559391 388657371 /nfs/dbraw/zinc/65/73/71/388657371.db2.gz VNKSGYFKZOYJLG-UHFFFAOYSA-N 0 0 236.658 2.312 10 0 BEAERN CC(C)CCNC(=O)N[C@@H]1COc2ccccc21 ZINC000194703984 388740096 /nfs/dbraw/zinc/74/00/96/388740096.db2.gz LAEJCTRTSGXHOB-GFCCVEGCSA-N 0 0 248.326 2.465 10 0 BEAERN C[C@@H]1C[C@@H]1N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249175248 388711982 /nfs/dbraw/zinc/71/19/82/388711982.db2.gz DXJFHFDSRCJULC-KGYLQXTDSA-N 0 0 227.311 2.497 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1C(=O)OC(C)C ZINC000127057823 388713805 /nfs/dbraw/zinc/71/38/05/388713805.db2.gz JEELMLZEWDZEGM-NXEZZACHSA-N 0 0 215.293 2.031 10 0 BEAERN C[C@@H](NCc1cscn1)c1cncs1 ZINC000127320451 388720129 /nfs/dbraw/zinc/72/01/29/388720129.db2.gz ILZDIWCRXYBELA-SSDOTTSWSA-N 0 0 225.342 2.450 10 0 BEAERN CS[C@@H](C)CC(=O)NCC1(C)CCC1 ZINC000127398402 388722432 /nfs/dbraw/zinc/72/24/32/388722432.db2.gz QLTCEKDJYMFGHS-VIFPVBQESA-N 0 0 215.362 2.434 10 0 BEAERN CCN(CC(C)C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000194130928 388724492 /nfs/dbraw/zinc/72/44/92/388724492.db2.gz QFJZXJPKPIZYOV-RYUDHWBXSA-N 0 0 242.363 2.241 10 0 BEAERN CCOC(=O)c1c(C)c(C)ccc1OC ZINC000260145262 388724864 /nfs/dbraw/zinc/72/48/64/388724864.db2.gz NRPMUJFCEUUGQY-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C)O2)c(C)c1 ZINC000128960616 388805703 /nfs/dbraw/zinc/80/57/03/388805703.db2.gz CJKCTFLAJHQZBR-OCCSQVGLSA-N 0 0 247.338 2.487 10 0 BEAERN CCOC(=O)Cc1ccncc1OC(F)(F)F ZINC000575340456 388759968 /nfs/dbraw/zinc/75/99/68/388759968.db2.gz JIKFYHXJRMLQCJ-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN Clc1nnc(-c2ccsn2)s1 ZINC000575456559 388786516 /nfs/dbraw/zinc/78/65/16/388786516.db2.gz VWWVUZCHBPIJTC-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN CCN(CCO)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163088421 388859104 /nfs/dbraw/zinc/85/91/04/388859104.db2.gz YSNWBJPBNIFJMN-OLZOCXBDSA-N 0 0 239.359 2.044 10 0 BEAERN CC[C@H](C)Nc1cnn(C)c1Br ZINC000575478506 388860565 /nfs/dbraw/zinc/86/05/65/388860565.db2.gz HHDQOTQDOMUMCZ-LURJTMIESA-N 0 0 232.125 2.393 10 0 BEAERN CC(=O)N1CCC(C(=O)c2cccc(C)c2)CC1 ZINC000575358768 388872393 /nfs/dbraw/zinc/87/23/93/388872393.db2.gz QGZFNECXJXFAOM-UHFFFAOYSA-N 0 0 245.322 2.436 10 0 BEAERN CCC[C@H](C(=O)NCC1(CC)CCC1)[NH+](C)C ZINC000152789381 388882100 /nfs/dbraw/zinc/88/21/00/388882100.db2.gz IYOHHQAFSMSPRK-GFCCVEGCSA-N 0 0 240.391 2.413 10 0 BEAERN CCc1cccc(CC(=O)NC[C@H]2CCCO2)c1 ZINC000129903753 388874788 /nfs/dbraw/zinc/87/47/88/388874788.db2.gz WWNBQUFIWTUBBJ-CQSZACIVSA-N 0 0 247.338 2.087 10 0 BEAERN CCc1nc(-c2nc(N)cs2)cs1 ZINC000575491978 388933901 /nfs/dbraw/zinc/93/39/01/388933901.db2.gz QKMKTYSIBABPRW-UHFFFAOYSA-N 0 0 211.315 2.411 10 0 BEAERN CC(=O)Nc1c(N)cc(Br)cc1F ZINC000575492451 388939140 /nfs/dbraw/zinc/93/91/40/388939140.db2.gz HENFTMSJJKYETP-UHFFFAOYSA-N 0 0 247.067 2.129 10 0 BEAERN Nc1cccc(Br)c1-n1cccn1 ZINC000575492848 388945798 /nfs/dbraw/zinc/94/57/98/388945798.db2.gz MKDWVMXTUZZNQM-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN C[C@H]1C[C@@H](Nc2cnsc2)CS1 ZINC000575494199 388953769 /nfs/dbraw/zinc/95/37/69/388953769.db2.gz UVHANRFQBNMMDQ-NKWVEPMBSA-N 0 0 200.332 2.449 10 0 BEAERN Cc1cc(Cl)cc2c1OCC(=O)N2C ZINC000062525382 132240165 /nfs/dbraw/zinc/24/01/65/132240165.db2.gz TXQLQMPTSQJYHQ-UHFFFAOYSA-N 0 0 211.648 2.004 10 0 BEAERN CN[C@@H](C)c1ncsc1Br ZINC000575499654 388989866 /nfs/dbraw/zinc/98/98/66/388989866.db2.gz CMKUTIXDUGJXNE-BYPYZUCNSA-N 0 0 221.123 2.186 10 0 BEAERN Cc1cc(C)cc(C(=O)NC[C@H](O)C(C)(C)C)c1 ZINC000268719538 389003405 /nfs/dbraw/zinc/00/34/05/389003405.db2.gz NKWOXLAOMFJXME-ZDUSSCGKSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1ccsc1C(=O)NC[C@@H](O)C(C)(C)C ZINC000268771031 389005007 /nfs/dbraw/zinc/00/50/07/389005007.db2.gz YEMWXZPYIQMOJD-SECBINFHSA-N 0 0 241.356 2.193 10 0 BEAERN C[C@@H](O)c1cc(F)ccc1N1CCOC[C@@H]1C ZINC000035777334 132339414 /nfs/dbraw/zinc/33/94/14/132339414.db2.gz XGTLAVBWPRKULR-VHSXEESVSA-N 0 0 239.290 2.104 10 0 BEAERN Cc1cc(N)cnc1N1CCC[C@H](C)C1 ZINC000036241558 132341352 /nfs/dbraw/zinc/34/13/52/132341352.db2.gz MJMBMZBGVFKYDC-VIFPVBQESA-N 0 0 205.305 2.209 10 0 BEAERN S=C1COc2cccc3c2N1CCC3 ZINC000039124786 132346769 /nfs/dbraw/zinc/34/67/69/132346769.db2.gz WNMXFBXOUJJKOE-UHFFFAOYSA-N 0 0 205.282 2.159 10 0 BEAERN Nc1cc(Cl)ccc1N1CCCC[C@@H]1CO ZINC000042432127 132351872 /nfs/dbraw/zinc/35/18/72/132351872.db2.gz DQNRHPCGAZDPFO-SNVBAGLBSA-N 0 0 240.734 2.273 10 0 BEAERN Cc1ccnc(N2CCS[C@@H](C)C2)c1 ZINC000268303330 132191760 /nfs/dbraw/zinc/19/17/60/132191760.db2.gz HQTYLUWXQFSFJX-JTQLQIEISA-N 0 0 208.330 2.332 10 0 BEAERN CC(C)OC(=O)N1CCOc2ccccc21 ZINC000279310111 132208782 /nfs/dbraw/zinc/20/87/82/132208782.db2.gz RESCVFGKYZROHR-UHFFFAOYSA-N 0 0 221.256 2.430 10 0 BEAERN CC(C)C(=O)N1CCCc2c(N)cccc21 ZINC000133280230 132237929 /nfs/dbraw/zinc/23/79/29/132237929.db2.gz WBJFKIJUFAFSHK-UHFFFAOYSA-N 0 0 218.300 2.204 10 0 BEAERN CN1c2ccccc2C(=O)[C@H]2C=CC=C[C@@H]21 ZINC000000345608 132282229 /nfs/dbraw/zinc/28/22/29/132282229.db2.gz LKBQKXBDNZMHJZ-JQWIXIFHSA-N 0 0 211.264 2.430 10 0 BEAERN Cc1nc(C(C)C)nc(N2CCC(=O)CC2)c1C ZINC000045951190 132299502 /nfs/dbraw/zinc/29/95/02/132299502.db2.gz QQRLUPGKYZJJTL-UHFFFAOYSA-N 0 0 247.342 2.386 10 0 BEAERN COC(=O)[C@H]1CCCCN1c1ccccc1C=O ZINC000090513553 132311716 /nfs/dbraw/zinc/31/17/16/132311716.db2.gz ZQYFQTPETWZEOS-CYBMUJFWSA-N 0 0 247.294 2.031 10 0 BEAERN CC(=O)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000019409713 132324695 /nfs/dbraw/zinc/32/46/95/132324695.db2.gz UFOVGFVKWWOPPN-JTQLQIEISA-N 0 0 231.295 2.333 10 0 BEAERN Cc1ccc(N2CCC(=O)CC2)cc1C ZINC000019424141 132324971 /nfs/dbraw/zinc/32/49/71/132324971.db2.gz WAPGNPINQHJRSS-UHFFFAOYSA-N 0 0 203.285 2.473 10 0 BEAERN COc1ccc(C)cc1N1CCC(=O)CC1 ZINC000019439409 132325243 /nfs/dbraw/zinc/32/52/43/132325243.db2.gz FWHWMAJOPKHMJY-UHFFFAOYSA-N 0 0 219.284 2.173 10 0 BEAERN CCOc1ccccc1N1CCC(=O)CC1 ZINC000019514061 132326016 /nfs/dbraw/zinc/32/60/16/132326016.db2.gz QBHGACXOODCIIA-UHFFFAOYSA-N 0 0 219.284 2.255 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)N1CCCc2cc(N)ccc21 ZINC000019874397 132328496 /nfs/dbraw/zinc/32/84/96/132328496.db2.gz ASJFCUKZTAHAOV-BXKDBHETSA-N 0 0 230.311 2.204 10 0 BEAERN C[C@H]1CN(c2ccc(Cl)cc2N)CCO1 ZINC000021960282 132332082 /nfs/dbraw/zinc/33/20/82/132332082.db2.gz KVTFFOLXOLDRIE-QMMMGPOBSA-N 0 0 226.707 2.147 10 0 BEAERN Cc1nc2cc(N3CCOCC3)c(N)cc2s1 ZINC000035342360 132338335 /nfs/dbraw/zinc/33/83/35/132338335.db2.gz YVMRHPSEEOYCLE-UHFFFAOYSA-N 0 0 249.339 2.024 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000035631116 132338806 /nfs/dbraw/zinc/33/88/06/132338806.db2.gz WYMBYIMPNCLGKP-SDDRHHMPSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@H]1COCCN1c1ccc2scnc2c1N ZINC000035774247 132339110 /nfs/dbraw/zinc/33/91/10/132339110.db2.gz WEORDAQEHRVPLS-QMMMGPOBSA-N 0 0 249.339 2.104 10 0 BEAERN C[C@@H]1COCCN1c1ccc(N)c2cnccc21 ZINC000035774279 132339165 /nfs/dbraw/zinc/33/91/65/132339165.db2.gz BTZGRCXKDFQCJB-SNVBAGLBSA-N 0 0 243.310 2.042 10 0 BEAERN C[C@@H]1CN(c2ccc(N)cc2F)[C@H](C)CO1 ZINC000035783762 132339597 /nfs/dbraw/zinc/33/95/97/132339597.db2.gz QFRQIMKTAFGIKE-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN CC[C@H]1CCCN(c2ccc(N)c(OC)n2)C1 ZINC000036168973 132340240 /nfs/dbraw/zinc/34/02/40/132340240.db2.gz WXOZTDYBPVXRQI-JTQLQIEISA-N 0 0 235.331 2.299 10 0 BEAERN Cc1cc(N2CCOC(C)(C)C2)ccc1N ZINC000036231996 132341037 /nfs/dbraw/zinc/34/10/37/132341037.db2.gz DBBNLTCMZJRUSM-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN COc1nc(N2C[C@H](C)C[C@@H](C)C2)ccc1N ZINC000037066492 132343316 /nfs/dbraw/zinc/34/33/16/132343316.db2.gz QYMKQHJJKUWCQG-NXEZZACHSA-N 0 0 235.331 2.155 10 0 BEAERN CCCOc1nc(N2CCCCC2)ccc1N ZINC000037066373 132343339 /nfs/dbraw/zinc/34/33/39/132343339.db2.gz HABMQXJVVXVXTL-UHFFFAOYSA-N 0 0 235.331 2.443 10 0 BEAERN O=C1CCN(C2CC2)C(=O)N1c1ccc(F)cc1 ZINC000037606533 132344732 /nfs/dbraw/zinc/34/47/32/132344732.db2.gz XWFHCWJIVXFOEF-UHFFFAOYSA-N 0 0 248.257 2.147 10 0 BEAERN C[C@H]1CN(c2cc(N)cc(F)c2)C[C@H](C)O1 ZINC000037666511 132344964 /nfs/dbraw/zinc/34/49/64/132344964.db2.gz YCTPWEHIPGJMBJ-IUCAKERBSA-N 0 0 224.279 2.022 10 0 BEAERN CC1(C)CN(c2c(F)cc(N)cc2F)CCO1 ZINC000038040187 132346122 /nfs/dbraw/zinc/34/61/22/132346122.db2.gz WJXKVRVDWAZRAO-UHFFFAOYSA-N 0 0 242.269 2.162 10 0 BEAERN C[C@@H]1CCCCN1c1ncnc(Cl)c1N ZINC000040571758 132348185 /nfs/dbraw/zinc/34/81/85/132348185.db2.gz SUTRVPLNZBSDRG-SSDOTTSWSA-N 0 0 226.711 2.091 10 0 BEAERN CCc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000039102004 132350380 /nfs/dbraw/zinc/35/03/80/132350380.db2.gz QHEBIPJCYDALCP-UHFFFAOYSA-N 0 0 217.268 2.293 10 0 BEAERN CCO[C@@H]1CCCN(c2ccc(N)cc2F)C1 ZINC000042421296 132351514 /nfs/dbraw/zinc/35/15/14/132351514.db2.gz NGPCTAIAKPXSJT-LLVKDONJSA-N 0 0 238.306 2.413 10 0 BEAERN CC(C)OCCN1CCCc2cc(N)ccc21 ZINC000049259828 132355865 /nfs/dbraw/zinc/35/58/65/132355865.db2.gz POXREEPKVKLBGU-UHFFFAOYSA-N 0 0 234.343 2.446 10 0 BEAERN COCc1cccc(N2CCC(=O)C[C@H]2C)c1 ZINC000049713773 132357910 /nfs/dbraw/zinc/35/79/10/132357910.db2.gz BEYCXBYWMQOBMC-LLVKDONJSA-N 0 0 233.311 2.391 10 0 BEAERN Cc1cc(CO)ccc1N1C[C@@H](C)OC(C)(C)C1 ZINC000050561361 132359127 /nfs/dbraw/zinc/35/91/27/132359127.db2.gz YYQUGSHACFERHP-GFCCVEGCSA-N 0 0 249.354 2.491 10 0 BEAERN CC[C@H]1COCCN1c1ccc(CO)c(C)c1 ZINC000050582861 132359343 /nfs/dbraw/zinc/35/93/43/132359343.db2.gz SEHXPNXOKDPBKS-ZDUSSCGKSA-N 0 0 235.327 2.103 10 0 BEAERN CCC[C@H](C)CN1c2cc(N)ccc2OCC1=O ZINC000051320407 132359996 /nfs/dbraw/zinc/35/99/96/132359996.db2.gz BGLCCSCJOJIGIN-JTQLQIEISA-N 0 0 248.326 2.430 10 0 BEAERN CC1(C)CN(c2cc(F)ccc2N)CCO1 ZINC000052120715 132362061 /nfs/dbraw/zinc/36/20/61/132362061.db2.gz XQVLCWAYQLXGDE-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Nc1ccc(F)cc1N1CCO[C@H]2CCC[C@@H]21 ZINC000052122032 132362259 /nfs/dbraw/zinc/36/22/59/132362259.db2.gz SDPVOIYSIRNXOA-AAEUAGOBSA-N 0 0 236.290 2.166 10 0 BEAERN Cc1cc2c(cc1C)N(C)C(=O)[C@H](C)N2 ZINC000057931166 132367305 /nfs/dbraw/zinc/36/73/05/132367305.db2.gz XGSMSYZRMWXXAB-VIFPVBQESA-N 0 0 204.273 2.080 10 0 BEAERN C[C@@H]1CCCN(c2ncnc(Cl)c2N)[C@@H]1C ZINC000062364299 132387664 /nfs/dbraw/zinc/38/76/64/132387664.db2.gz XKQOWMRDPCBLNG-HTQZYQBOSA-N 0 0 240.738 2.337 10 0 BEAERN CC[C@H]1COCCN1c1cccc(N)c1C ZINC000062724780 132388479 /nfs/dbraw/zinc/38/84/79/132388479.db2.gz DXBZWINZFSLNGX-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1N ZINC000061700687 132502354 /nfs/dbraw/zinc/50/23/54/132502354.db2.gz SGGAUKCACNQWMF-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN Cc1c[nH]cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000334341255 133623201 /nfs/dbraw/zinc/62/32/01/133623201.db2.gz ODVMJDJFEMKGKN-CHWSQXEVSA-N 0 0 248.326 2.107 10 0 BEAERN COc1cccc2c1OC1(CCCCC1)NC2=O ZINC000335932686 134011508 /nfs/dbraw/zinc/01/15/08/134011508.db2.gz QUAAOUSOUKUPGS-UHFFFAOYSA-N 0 0 247.294 2.478 10 0 BEAERN C[C@H]1CC(CNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000335934925 134012159 /nfs/dbraw/zinc/01/21/59/134012159.db2.gz IFRXGXXYVZGUCN-UWVGGRQHSA-N 0 0 227.348 2.352 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1CC(C)(C)C1 ZINC000335974590 134030993 /nfs/dbraw/zinc/03/09/93/134030993.db2.gz MRKUQWLHILTTNS-NXEZZACHSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@@H]1CC(CNC(=O)NC2CCC2)C[C@@H](C)O1 ZINC000335987797 134039446 /nfs/dbraw/zinc/03/94/46/134039446.db2.gz GRDWQKCHAJVKLN-NXEZZACHSA-N 0 0 240.347 2.042 10 0 BEAERN Cc1ccnc(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000335992258 134040561 /nfs/dbraw/zinc/04/05/61/134040561.db2.gz HJWHGGCXCQMHRJ-GHMZBOCLSA-N 0 0 231.299 2.406 10 0 BEAERN O=C(NCC1CC(F)(F)C1)N1C[C@@H]2CCC[C@@H]21 ZINC000336099485 134081147 /nfs/dbraw/zinc/08/11/47/134081147.db2.gz ZJQGMVLUBOOQOO-UWVGGRQHSA-N 0 0 244.285 2.226 10 0 BEAERN CCC(C)(C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171206448 134255902 /nfs/dbraw/zinc/25/59/02/134255902.db2.gz UBLBGMNJZCBXAQ-GFCCVEGCSA-N 0 0 238.375 2.119 10 0 BEAERN CON(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172837055 134269861 /nfs/dbraw/zinc/26/98/61/134269861.db2.gz DYFPNQVXOAULBM-GHMZBOCLSA-N 0 0 211.305 2.223 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCC1CCOCC1 ZINC000173234529 134273131 /nfs/dbraw/zinc/27/31/31/134273131.db2.gz HTXCBZMVGMJDAP-LLVKDONJSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1ccc([C@H]2CCCCN2C(N)=O)o1 ZINC000173761096 134274960 /nfs/dbraw/zinc/27/49/60/134274960.db2.gz ZVFDTXBJECEMHA-SECBINFHSA-N 0 0 208.261 2.194 10 0 BEAERN CC(C)CCCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000178036218 134302685 /nfs/dbraw/zinc/30/26/85/134302685.db2.gz GEJRAUAWZCZDCD-GHMZBOCLSA-N 0 0 213.321 2.106 10 0 BEAERN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178293599 134306124 /nfs/dbraw/zinc/30/61/24/134306124.db2.gz PSOYFIPUZMJABH-QNSTZXKLSA-N 0 0 249.354 2.203 10 0 BEAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358255 134308705 /nfs/dbraw/zinc/30/87/05/134308705.db2.gz PJRCCJMNJZDAKC-KOLCDFICSA-N 0 0 232.287 2.057 10 0 BEAERN CCC(C)(C)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178668217 134312675 /nfs/dbraw/zinc/31/26/75/134312675.db2.gz HXAOBXHRZVTQGA-QWHCGFSZSA-N 0 0 247.338 2.197 10 0 BEAERN COc1cccc(CN[C@@H](C)c2ncc(C)o2)n1 ZINC000220930964 134314975 /nfs/dbraw/zinc/31/49/75/134314975.db2.gz NMGILDJWGYOALV-JTQLQIEISA-N 0 0 247.298 2.237 10 0 BEAERN COc1cccc(CN[C@H](C)c2ncc(C)o2)n1 ZINC000220931027 134315111 /nfs/dbraw/zinc/31/51/11/134315111.db2.gz NMGILDJWGYOALV-SNVBAGLBSA-N 0 0 247.298 2.237 10 0 BEAERN C[C@@H]1OCC[C@H]1SCc1nnc(C2CC2)[nH]1 ZINC000179872866 134324343 /nfs/dbraw/zinc/32/43/43/134324343.db2.gz GJDZANDTWOTHSH-IONNQARKSA-N 0 0 239.344 2.093 10 0 BEAERN O=C(CC1CCC1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181368606 134335778 /nfs/dbraw/zinc/33/57/78/134335778.db2.gz BVRADAHDHGVNPI-LLVKDONJSA-N 0 0 248.330 2.049 10 0 BEAERN COCc1ccsc1C(=O)N[C@@H]1C[C@@H]1C ZINC000181458193 134336805 /nfs/dbraw/zinc/33/68/05/134336805.db2.gz GIVUTYVBBWVNPZ-IONNQARKSA-N 0 0 225.313 2.033 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC=CCC1 ZINC000224873672 134348661 /nfs/dbraw/zinc/34/86/61/134348661.db2.gz GFJGTAULTWEMNN-AGIUHOORSA-N 0 0 237.343 2.010 10 0 BEAERN CCc1nn(C)cc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000225871504 134356208 /nfs/dbraw/zinc/35/62/08/134356208.db2.gz XQCHKXANVJNHCC-BIMULSAOSA-N 0 0 249.358 2.208 10 0 BEAERN O=C(OCC1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000184393389 134362838 /nfs/dbraw/zinc/36/28/38/134362838.db2.gz QHGUTEYCMPBCAE-VXGBXAGGSA-N 0 0 239.315 2.176 10 0 BEAERN O[C@H]1CCOc2c(N[C@H]3CCCOC3)cccc21 ZINC000184572050 134363455 /nfs/dbraw/zinc/36/34/55/134363455.db2.gz BLVUZCFQJODODK-GWCFXTLKSA-N 0 0 249.310 2.093 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccco2)o1 ZINC000226616631 134367897 /nfs/dbraw/zinc/36/78/97/134367897.db2.gz KZXQFINFWSNYOS-QMMMGPOBSA-N 0 0 220.228 2.067 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccccc2O)o1 ZINC000226617010 134367989 /nfs/dbraw/zinc/36/79/89/134367989.db2.gz GENUJCJVXNZGHQ-VIFPVBQESA-N 0 0 246.266 2.180 10 0 BEAERN Cc1oncc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000185188872 134372096 /nfs/dbraw/zinc/37/20/96/134372096.db2.gz VRKGMJSEJAOWKM-STQMWFEESA-N 0 0 236.315 2.126 10 0 BEAERN C[C@H](NC(=O)C1(C)CCC1)c1ccon1 ZINC000408093407 134391529 /nfs/dbraw/zinc/39/15/29/134391529.db2.gz BOVGZYHMSHYZIU-QMMMGPOBSA-N 0 0 208.261 2.042 10 0 BEAERN CC[C@@H](C)N(C)C(=O)N[C@@H](C)C(C)C ZINC000079828278 134392708 /nfs/dbraw/zinc/39/27/08/134392708.db2.gz FUMZWIOXYNJPIS-ZJUUUORDSA-N 0 0 200.326 2.471 10 0 BEAERN CCC1(O)CN(Cc2cccc(Cl)c2F)C1 ZINC000228294571 134412748 /nfs/dbraw/zinc/41/27/48/134412748.db2.gz SCLAORUAKUPWFY-UHFFFAOYSA-N 0 0 243.709 2.436 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](C)CC2)O1 ZINC000151055116 134460244 /nfs/dbraw/zinc/46/02/44/134460244.db2.gz BISMPRRAUDLKDY-WOPDTQHZSA-N 0 0 225.332 2.203 10 0 BEAERN O=C(Nc1ccc2c(c1)CCN2)c1cccnc1 ZINC000063188056 134537991 /nfs/dbraw/zinc/53/79/91/134537991.db2.gz APVBOHMWLKAUJJ-UHFFFAOYSA-N 0 0 239.278 2.302 10 0 BEAERN CCN(C)C(=O)Nc1cc(C)c(O)cc1C ZINC000233437852 134563576 /nfs/dbraw/zinc/56/35/76/134563576.db2.gz UXPNNHXJGGMYMU-UHFFFAOYSA-N 0 0 222.288 2.493 10 0 BEAERN CCCN(C(=O)[C@@H]1CCCO[C@@H]1C)C1CC1 ZINC000191254109 134570542 /nfs/dbraw/zinc/57/05/42/134570542.db2.gz LYSSWFUKQASBRA-ZYHUDNBSSA-N 0 0 225.332 2.203 10 0 BEAERN CC(C)(O)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000191756044 134576648 /nfs/dbraw/zinc/57/66/48/134576648.db2.gz SWXFZCBRJWBLPF-UHFFFAOYSA-N 0 0 245.322 2.073 10 0 BEAERN COC[C@@H](C)Nc1cnn(-c2ccccc2F)c1 ZINC000132377436 134653894 /nfs/dbraw/zinc/65/38/94/134653894.db2.gz DAJKMAWIAGAPKM-SNVBAGLBSA-N 0 0 249.289 2.458 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@H]2CCCO)cc1 ZINC000052758568 134710217 /nfs/dbraw/zinc/71/02/17/134710217.db2.gz ABJKXOWIPZQIKA-AWEZNQCLSA-N 0 0 247.338 2.372 10 0 BEAERN CC(C)Nc1cnn(-c2ncccc2F)c1 ZINC000134532784 134712373 /nfs/dbraw/zinc/71/23/73/134712373.db2.gz SZKMFFZOOMIUEM-UHFFFAOYSA-N 0 0 220.251 2.227 10 0 BEAERN Cc1occc1C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000135890561 134756193 /nfs/dbraw/zinc/75/61/93/134756193.db2.gz WMMYCKKAFVIUDG-VXGBXAGGSA-N 0 0 237.299 2.011 10 0 BEAERN CCS(=O)(=O)Cc1csc(C(C)(C)C)n1 ZINC000058630259 134788524 /nfs/dbraw/zinc/78/85/24/134788524.db2.gz KCDHIQJRFRMNDY-UHFFFAOYSA-N 0 0 247.385 2.375 10 0 BEAERN CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@H]2C)C1 ZINC000245839783 134869319 /nfs/dbraw/zinc/86/93/19/134869319.db2.gz XZXVTAPOWWVKKC-MXWKQRLJSA-N 0 0 210.321 2.226 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCc2occc21 ZINC000246209624 134881520 /nfs/dbraw/zinc/88/15/20/134881520.db2.gz NSKWWPHUNPCKSH-MIMYLULJSA-N 0 0 234.299 2.365 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)C1CCC1 ZINC000074913148 134951223 /nfs/dbraw/zinc/95/12/23/134951223.db2.gz DSUDMPCZCUHMKX-LLVKDONJSA-N 0 0 217.268 2.036 10 0 BEAERN C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)[C@H]1CCCO1 ZINC000246491331 134954421 /nfs/dbraw/zinc/95/44/21/134954421.db2.gz RJIZSCZHTJIRMG-WHOHXGKFSA-N 0 0 240.347 2.136 10 0 BEAERN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248475065 135013837 /nfs/dbraw/zinc/01/38/37/135013837.db2.gz MJHBUSTUJYLPNF-CIQGVGRVSA-N 0 0 239.359 2.352 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000248586991 135016190 /nfs/dbraw/zinc/01/61/90/135016190.db2.gz RBHQXFKXSHYXJQ-QCNOEVLYSA-N 0 0 227.348 2.304 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cccc2c1OCC[C@H]2O ZINC000248638694 135017514 /nfs/dbraw/zinc/01/75/14/135017514.db2.gz LMVRXCXOQLHRRS-UFGOTCBOSA-N 0 0 249.310 2.092 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000248818870 135022444 /nfs/dbraw/zinc/02/24/44/135022444.db2.gz DQBFMSSVWIXNOB-GRYCIOLGSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCO[C@H]1C ZINC000248829124 135022704 /nfs/dbraw/zinc/02/27/04/135022704.db2.gz HSIHRDHCABGCII-VOAKCMCISA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CCCCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000248964104 135028198 /nfs/dbraw/zinc/02/81/98/135028198.db2.gz NKBULXSWRFUUHY-WOPDTQHZSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000249205118 135036243 /nfs/dbraw/zinc/03/62/43/135036243.db2.gz BNDISVYHWVRAML-QJPTWQEYSA-N 0 0 223.316 2.026 10 0 BEAERN CC(C)[C@@H]1[C@@H]2C[C@@]3(C)[C@@H]([C@H]12)[C@@](C)(O)CC[C@H]3O ZINC000256630534 135099627 /nfs/dbraw/zinc/09/96/27/135099627.db2.gz HAGUIOILOILJEM-XSGSKYOYSA-N 0 0 238.371 2.437 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000253279859 135125594 /nfs/dbraw/zinc/12/55/94/135125594.db2.gz SYBXTUGXYCDFNX-YNEHKIRRSA-N 0 0 239.359 2.450 10 0 BEAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000253353714 135126122 /nfs/dbraw/zinc/12/61/22/135126122.db2.gz WKZACNWMWDOLGT-USZNOCQGSA-N 0 0 225.332 2.201 10 0 BEAERN CNCc1noc([C@H]2CCCC(F)(F)C2)n1 ZINC000261533083 135164326 /nfs/dbraw/zinc/16/43/26/135164326.db2.gz IZMPELJYTZFNOB-ZETCQYMHSA-N 0 0 231.246 2.082 10 0 BEAERN c1csc(CN2CCO[C@H]3CCCC[C@H]32)n1 ZINC000269681371 135166306 /nfs/dbraw/zinc/16/63/06/135166306.db2.gz TXDRZVSTRHMXGQ-MNOVXSKESA-N 0 0 238.356 2.287 10 0 BEAERN CCC1(O)CN(Cc2c(F)cccc2Cl)C1 ZINC000084359935 135213855 /nfs/dbraw/zinc/21/38/55/135213855.db2.gz UZQWEKBZZYGRJQ-UHFFFAOYSA-N 0 0 243.709 2.436 10 0 BEAERN Cc1cc(C(=O)N2C[C@H]3CCC[C@H]32)c(C)n1C ZINC000334343393 135364492 /nfs/dbraw/zinc/36/44/92/135364492.db2.gz QYTZVJBNEVLNSA-DGCLKSJQSA-N 0 0 232.327 2.266 10 0 BEAERN CNc1c(Cl)ncnc1N1CC[C@@H](C)[C@@H]1C ZINC000275780246 135367257 /nfs/dbraw/zinc/36/72/57/135367257.db2.gz BGYKELDGSQGVDR-SFYZADRCSA-N 0 0 240.738 2.406 10 0 BEAERN C[C@H](CC1CC1)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000081724060 135388418 /nfs/dbraw/zinc/38/84/18/135388418.db2.gz SGHLAPXHVKKPFL-ZYHUDNBSSA-N 0 0 247.342 2.065 10 0 BEAERN C[C@H](CC1CC1)NC(=O)[C@H]1CCCn2ccnc21 ZINC000081724063 135388930 /nfs/dbraw/zinc/38/89/30/135388930.db2.gz SGHLAPXHVKKPFL-PWSUYJOCSA-N 0 0 247.342 2.065 10 0 BEAERN O=C(Nc1ccsc1)[C@@H]1CCCn2ccnc21 ZINC000081757259 135389428 /nfs/dbraw/zinc/38/94/28/135389428.db2.gz WMIKBISQYQBGQA-SNVBAGLBSA-N 0 0 247.323 2.461 10 0 BEAERN CC1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCCC1 ZINC000077152423 135391118 /nfs/dbraw/zinc/39/11/18/135391118.db2.gz JLQSMRDRVLHACO-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC1CCC(F)(F)CC1 ZINC000334449542 135412940 /nfs/dbraw/zinc/41/29/40/135412940.db2.gz SEYOHELCLYNPQC-APPZFPTMSA-N 0 0 232.274 2.272 10 0 BEAERN O=C(C1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000082278168 135432412 /nfs/dbraw/zinc/43/24/12/135432412.db2.gz CQZHDZXNRKYZCF-UHFFFAOYSA-N 0 0 247.342 2.306 10 0 BEAERN Cn1c(N2C[C@@H]3CCC[C@@H]32)nnc1C(C)(C)C ZINC000334490677 135445168 /nfs/dbraw/zinc/44/51/68/135445168.db2.gz SFZYJBMYKSYGHZ-UWVGGRQHSA-N 0 0 234.347 2.101 10 0 BEAERN Cc1nsc(N[C@H](C)c2nccs2)n1 ZINC000083648786 135453560 /nfs/dbraw/zinc/45/35/60/135453560.db2.gz YLSZSMQIHNJGMR-RXMQYKEDSA-N 0 0 226.330 2.476 10 0 BEAERN O=C(C=C1CCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000087134178 135502325 /nfs/dbraw/zinc/50/23/25/135502325.db2.gz RUJOWMMEUBZASP-CHWSQXEVSA-N 0 0 235.327 2.267 10 0 BEAERN CCc1nnc(CSCCOC(C)C)n1C ZINC000091029650 135558605 /nfs/dbraw/zinc/55/86/05/135558605.db2.gz LCHKCZBJQDOSGS-UHFFFAOYSA-N 0 0 243.376 2.036 10 0 BEAERN C[C@@H]1CC=CC[C@H]1C(=O)N1CC(=O)CC1(C)C ZINC000334916400 135840792 /nfs/dbraw/zinc/84/07/92/135840792.db2.gz BJMRNSYWIZLPOT-ZYHUDNBSSA-N 0 0 235.327 2.169 10 0 BEAERN O=S(=O)(C1CCCCC1)N1C[C@H]2CCC[C@@H]21 ZINC000334957042 135850297 /nfs/dbraw/zinc/85/02/97/135850297.db2.gz KWWHBPZLSHJMRO-PWSUYJOCSA-N 0 0 243.372 2.133 10 0 BEAERN C[C@@H]1CC[C@H](n2ccc(=O)c3cnn(C)c32)C1 ZINC000334971212 135854250 /nfs/dbraw/zinc/85/42/50/135854250.db2.gz YDOXODOSDCBVPH-ZJUUUORDSA-N 0 0 231.299 2.096 10 0 BEAERN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1C ZINC000345267201 135894414 /nfs/dbraw/zinc/89/44/14/135894414.db2.gz PISDMZRPYAPELN-CYDGBPFRSA-N 0 0 239.359 2.185 10 0 BEAERN Cn1ncc2c1n([C@H]1CCC(C)(C)C1)ccc2=O ZINC000335308438 136027573 /nfs/dbraw/zinc/02/75/73/136027573.db2.gz JKXNXCNWXCEYRQ-JTQLQIEISA-N 0 0 245.326 2.486 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)C(C)(C)C(C)(C)C ZINC000336233727 397733707 /nfs/dbraw/zinc/73/37/07/397733707.db2.gz CGGMFOWSQVOSGY-QWRGUYRKSA-N 0 0 241.375 2.431 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C(C)(C)C(C)(C)C ZINC000336233728 397733749 /nfs/dbraw/zinc/73/37/49/397733749.db2.gz CGGMFOWSQVOSGY-WDEREUQCSA-N 0 0 241.375 2.431 10 0 BEAERN C[C@@H](NC(=O)N[C@H]1CCC[C@H]1C)[C@H]1CCCO1 ZINC000407959491 397796706 /nfs/dbraw/zinc/79/67/06/397796706.db2.gz RYGCUOPUFQYIGO-WISYIIOYSA-N 0 0 240.347 2.042 10 0 BEAERN O=C1CCN1c1ccccc1Br ZINC000169391385 397812451 /nfs/dbraw/zinc/81/24/51/397812451.db2.gz RJDIFUOAROBBQI-UHFFFAOYSA-N 0 0 226.073 2.186 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1O ZINC000052293455 397742634 /nfs/dbraw/zinc/74/26/34/397742634.db2.gz WOHROQLXBLICLA-MUWHJKNJSA-N 0 0 225.675 2.184 10 0 BEAERN CC[C@H](C)[C@H](O)C(=O)Nc1ccc(C)nc1C ZINC000179273961 397852220 /nfs/dbraw/zinc/85/22/20/397852220.db2.gz LJPDAQDTFMAPKT-UFBFGSQYSA-N 0 0 236.315 2.044 10 0 BEAERN CCc1ccccc1CC(=O)N[C@H]1C[C@H]1C ZINC000188432442 397883516 /nfs/dbraw/zinc/88/35/16/397883516.db2.gz MFRQXAHYWBSWJI-MFKMUULPSA-N 0 0 217.312 2.316 10 0 BEAERN C[C@@H](Nc1cnn(C)c1Cl)C(F)F ZINC000575460930 397945461 /nfs/dbraw/zinc/94/54/61/397945461.db2.gz GVDVPEUJMNOTJE-SCSAIBSYSA-N 0 0 209.627 2.139 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)nn1C(C)(C)C ZINC000171050854 397946516 /nfs/dbraw/zinc/94/65/16/397946516.db2.gz SYMCMCKYTAEHHA-SCZZXKLOSA-N 0 0 235.331 2.085 10 0 BEAERN C[C@H](c1cccnc1)[C@@H](O)c1cccnc1 ZINC000196139930 397951822 /nfs/dbraw/zinc/95/18/22/397951822.db2.gz CFAQETAOZPEMMZ-ZWNOBZJWSA-N 0 0 214.268 2.314 10 0 BEAERN CCO[C@H](C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110455718 397902372 /nfs/dbraw/zinc/90/23/72/397902372.db2.gz NCUYVOFFSPIVRT-MRVWCRGKSA-N 0 0 247.338 2.331 10 0 BEAERN C[C@H]1CN(c2ccnc(C3CC3)n2)CC(C)(C)O1 ZINC000110289797 397903345 /nfs/dbraw/zinc/90/33/45/397903345.db2.gz IVZUHONSDVNJFR-JTQLQIEISA-N 0 0 247.342 2.358 10 0 BEAERN CCCc1cc(NC(=O)c2cscn2)n[nH]1 ZINC000110849566 397905336 /nfs/dbraw/zinc/90/53/36/397905336.db2.gz GBYRZIHHROQYFN-UHFFFAOYSA-N 0 0 236.300 2.071 10 0 BEAERN Cc1ncc(C(=O)c2ccns2)s1 ZINC000306986612 397962701 /nfs/dbraw/zinc/96/27/01/397962701.db2.gz PCUJEZJSDSRMKY-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CCC[C@H]1C[C@@H]1[NH2+]Cc1c(C)n[nH]c1C ZINC000165024543 398001845 /nfs/dbraw/zinc/00/18/45/398001845.db2.gz PDEJLEZPKBFTBU-JQWIXIFHSA-N 0 0 207.321 2.305 10 0 BEAERN N#CNc1cnc(Cl)c(Br)c1 ZINC000575596071 398008440 /nfs/dbraw/zinc/00/84/40/398008440.db2.gz GUHVHAYMELGIML-UHFFFAOYSA-N 0 0 232.468 2.390 10 0 BEAERN CCOC(=O)c1cc(OC)c(N)cc1CC ZINC000575724680 398069569 /nfs/dbraw/zinc/06/95/69/398069569.db2.gz PEHYZRHIESSOPB-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)Cc1cc(CC)c(N)cc1C ZINC000575724683 398069662 /nfs/dbraw/zinc/06/96/62/398069662.db2.gz PLXQKOBNGSYZLT-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CC(C)(C)OC(=O)Cc1cc(F)ccc1N ZINC000584594250 398077036 /nfs/dbraw/zinc/07/70/36/398077036.db2.gz QWDSHESVMKQKKY-UHFFFAOYSA-N 0 0 225.263 2.292 10 0 BEAERN CC[C@@H]1C[C@@]1([NH3+])c1ccncc1Br ZINC000307316958 398077220 /nfs/dbraw/zinc/07/72/20/398077220.db2.gz OAKNSZLXFHPCRF-XCBNKYQSSA-N 0 0 241.132 2.428 10 0 BEAERN CCCC[C@]1(c2cccc(OC)c2)CNC1=O ZINC000584624928 398079681 /nfs/dbraw/zinc/07/96/81/398079681.db2.gz NJPFROHEQLZZKW-CQSZACIVSA-N 0 0 233.311 2.253 10 0 BEAERN CCCCNC(=O)NC(=O)/C=C/c1ccccc1 ZINC000584627458 398080354 /nfs/dbraw/zinc/08/03/54/398080354.db2.gz WUJRUEMDHKHBED-MDZDMXLPSA-N 0 0 246.310 2.326 10 0 BEAERN CCCC[C@@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]12 ZINC000584659153 398082755 /nfs/dbraw/zinc/08/27/55/398082755.db2.gz ZCUPYQMYEVHQJS-IEBDPFPHSA-N 0 0 212.289 2.286 10 0 BEAERN Cc1nc2oc3cc(F)ccc3c(=O)c2[nH]1 ZINC000584639689 398083974 /nfs/dbraw/zinc/08/39/74/398083974.db2.gz QTEQBNGBSTVGBD-UHFFFAOYSA-N 0 0 218.187 2.117 10 0 BEAERN O=c1[nH]nc2c(-c3ccccc3)cc(Cl)nn12 ZINC000584639688 398084008 /nfs/dbraw/zinc/08/40/08/398084008.db2.gz QQTPLSWPHDDZRR-UHFFFAOYSA-N 0 0 246.657 2.150 10 0 BEAERN Clc1ccc(Nc2cccnc2Cl)nn1 ZINC000584639672 398084034 /nfs/dbraw/zinc/08/40/34/398084034.db2.gz KNOSHPRABUAFCJ-UHFFFAOYSA-N 0 0 241.081 2.344 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1C ZINC000133659593 398100687 /nfs/dbraw/zinc/10/06/87/398100687.db2.gz BQVICHOELVLBRW-VXGBXAGGSA-N 0 0 235.327 2.050 10 0 BEAERN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@H]1C[C@H]1C ZINC000245416957 398115639 /nfs/dbraw/zinc/11/56/39/398115639.db2.gz JDIFPQFDYHUTAK-UQFNBPPOSA-N 0 0 247.338 2.066 10 0 BEAERN CC(C)CNc1cc2c(cc1N)OCCO2 ZINC000020381597 167016212 /nfs/dbraw/zinc/01/62/12/167016212.db2.gz NCQJCMXVXDQOQV-UHFFFAOYSA-N 0 0 222.288 2.108 10 0 BEAERN CC(C)CNc1nc(C(F)(F)F)ncc1N ZINC000026475110 167019068 /nfs/dbraw/zinc/01/90/68/167019068.db2.gz RKUYLBCJSGFPFH-UHFFFAOYSA-N 0 0 234.225 2.146 10 0 BEAERN CC(C)NC(=O)CNc1ccc(F)c(F)c1F ZINC000020044796 167061337 /nfs/dbraw/zinc/06/13/37/167061337.db2.gz JWIOCRFHSXBDGN-UHFFFAOYSA-N 0 0 246.232 2.040 10 0 BEAERN CSCC(=O)Nc1nnc(CC(C)C)s1 ZINC000022378989 175462727 /nfs/dbraw/zinc/46/27/27/175462727.db2.gz NUVXHWRSMOHEKC-UHFFFAOYSA-N 0 0 245.373 2.038 10 0 BEAERN CC(C)Nc1cc(-c2ccncc2)[nH]n1 ZINC000062668410 167141669 /nfs/dbraw/zinc/14/16/69/167141669.db2.gz XMBJYSKIQYAOAY-UHFFFAOYSA-N 0 0 202.261 2.292 10 0 BEAERN CC(C)[NH2+][C@](C)(CCc1ccccc1)C(=O)[O-] ZINC000037183048 167141678 /nfs/dbraw/zinc/14/16/78/167141678.db2.gz VWUROCVDRBMYRX-CQSZACIVSA-N 0 0 235.327 2.461 10 0 BEAERN CC(C)N[C@](C)(C(N)=O)c1ccccc1Cl ZINC000037446522 167142001 /nfs/dbraw/zinc/14/20/01/167142001.db2.gz CQVUNQPEDTWKGY-LBPRGKRZSA-N 0 0 240.734 2.039 10 0 BEAERN CC(C)[NH2+][C@](C)(C(=O)[O-])c1cccc(F)c1 ZINC000037183085 167142936 /nfs/dbraw/zinc/14/29/36/167142936.db2.gz XGHFXDBURHYTBO-LBPRGKRZSA-N 0 0 225.263 2.124 10 0 BEAERN CC(C)Nc1nc2ccccc2c(=O)o1 ZINC000026487439 167149517 /nfs/dbraw/zinc/14/95/17/167149517.db2.gz HBHNPPYDPGIZKY-UHFFFAOYSA-N 0 0 204.229 2.008 10 0 BEAERN CC(C)OC(=O)CNc1cc(F)c(F)cc1F ZINC000061093831 167159786 /nfs/dbraw/zinc/15/97/86/167159786.db2.gz BGDLYWKRTYAXJT-UHFFFAOYSA-N 0 0 247.216 2.467 10 0 BEAERN CC(C)OC(=O)c1c(N)cc(F)cc1F ZINC000037475347 167171417 /nfs/dbraw/zinc/17/14/17/167171417.db2.gz HFHWIJCCINUFFY-UHFFFAOYSA-N 0 0 215.199 2.112 10 0 BEAERN CC(C)OCCC(=O)Nc1ccc(F)cc1N ZINC000019264573 167202744 /nfs/dbraw/zinc/20/27/44/167202744.db2.gz IKBQSBNLJJBNPG-UHFFFAOYSA-N 0 0 240.278 2.162 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)/C=C\c1ccccc1 ZINC000255133160 322915264 /nfs/dbraw/zinc/91/52/64/322915264.db2.gz VGDNLLUBPDSOED-NUAVKIRRSA-N 0 0 245.322 2.336 10 0 BEAERN CCOC(=O)c1cnc(Cl)c(C)c1NC ZINC000216830268 487593255 /nfs/dbraw/zinc/59/32/55/487593255.db2.gz JJWHPPAMQBBLGA-UHFFFAOYSA-N 0 0 228.679 2.262 10 0 BEAERN CC(C)Oc1c(OC2CC2)cccc1C(N)=O ZINC000095719590 167284630 /nfs/dbraw/zinc/28/46/30/167284630.db2.gz DCVRQAFTYQEYJI-UHFFFAOYSA-N 0 0 235.283 2.114 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000167804680 487597801 /nfs/dbraw/zinc/59/78/01/487597801.db2.gz PLQVXALXPMKQEF-CMPLNLGQSA-N 0 0 209.289 2.034 10 0 BEAERN CC1CC(C(=O)N2CCC(c3cn[nH]c3)CC2)C1 ZINC000674685261 487606307 /nfs/dbraw/zinc/60/63/07/487606307.db2.gz TVIIQYXKDKSIPW-UHFFFAOYSA-N 0 0 247.342 2.162 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000103385325 487610930 /nfs/dbraw/zinc/61/09/30/487610930.db2.gz CTXNAOCBVBYLPE-SDDRHHMPSA-N 0 0 227.348 2.211 10 0 BEAERN CCc1c(CO)cc(O)cc1OC(F)F ZINC000575653883 409823227 /nfs/dbraw/zinc/82/32/27/409823227.db2.gz QGJRIGMVHPFOTJ-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN O=C1CCOC[C@@H]1Cc1ccc(Cl)cc1 ZINC000076673980 410062323 /nfs/dbraw/zinc/06/23/23/410062323.db2.gz TZJXXEPXXKOLMI-JTQLQIEISA-N 0 0 224.687 2.488 10 0 BEAERN Brc1cc2c(cn1)CCCN2 ZINC000095762334 166096731 /nfs/dbraw/zinc/09/67/31/166096731.db2.gz QWJDMMVZUJCVAA-UHFFFAOYSA-N 0 0 213.078 2.202 10 0 BEAERN Brc1ccc2ncsc2n1 ZINC000089229857 166099027 /nfs/dbraw/zinc/09/90/27/166099027.db2.gz AFGZXGZVCNYHHJ-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1ccc([C@@H]2CCOC2)nc1 ZINC000072193042 166099750 /nfs/dbraw/zinc/09/97/50/166099750.db2.gz IHBQGUNAIXNUPG-SSDOTTSWSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1cccc(-c2cc[nH]n2)n1 ZINC000034409180 166101223 /nfs/dbraw/zinc/10/12/23/166101223.db2.gz BTJVCXWTEQSJND-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Brc1ccccc1-c1ncon1 ZINC000068593421 166102480 /nfs/dbraw/zinc/10/24/80/166102480.db2.gz AXHDCRGNCABVKW-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccccc1C1=NCCO1 ZINC000039291461 166102554 /nfs/dbraw/zinc/10/25/54/166102554.db2.gz CDUVPZJMUCMPDM-UHFFFAOYSA-N 0 0 226.073 2.226 10 0 BEAERN Brc1ccccc1Cc1nnc[nH]1 ZINC000082549085 166102603 /nfs/dbraw/zinc/10/26/03/166102603.db2.gz ODTTYHJKEYZJLK-UHFFFAOYSA-N 0 0 238.088 2.158 10 0 BEAERN Brc1cncc(-c2ccco2)n1 ZINC000044119966 166104352 /nfs/dbraw/zinc/10/43/52/166104352.db2.gz IUMYAHNWZBMORP-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccnc([C@H]2CCOC2)c1 ZINC000072193045 166103232 /nfs/dbraw/zinc/10/32/32/166103232.db2.gz QRBJKOMUFBGIEV-ZETCQYMHSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1cccnc1O[C@H]1CCOC1 ZINC000084686427 166103449 /nfs/dbraw/zinc/10/34/49/166103449.db2.gz KKCHKTIRZKATFV-ZETCQYMHSA-N 0 0 244.088 2.012 10 0 BEAERN Brc1csc([C@H]2COCCN2)c1 ZINC000071562662 166106527 /nfs/dbraw/zinc/10/65/27/166106527.db2.gz AIBQADMZZLDZKC-SSDOTTSWSA-N 0 0 248.145 2.172 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ncccc1N ZINC000132306729 410428277 /nfs/dbraw/zinc/42/82/77/410428277.db2.gz VIPIUFVNHRYKNH-NXEZZACHSA-N 0 0 233.315 2.067 10 0 BEAERN CC(=O)CN1CCC2=Cc3ccccc3[C@H]2C1 ZINC000142028265 410520163 /nfs/dbraw/zinc/52/01/63/410520163.db2.gz RXGJGHYDSPLJQC-HNNXBMFYSA-N 0 0 227.307 2.462 10 0 BEAERN O=C(CC1OCCO1)c1ccc(Cl)s1 ZINC000236056228 410568667 /nfs/dbraw/zinc/56/86/67/410568667.db2.gz OUOWMJQYUITFRP-UHFFFAOYSA-N 0 0 232.688 2.347 10 0 BEAERN CC(=O)c1cc(C(=O)N[C@H]2C[C@H]2C)ccc1C ZINC000194012527 166440945 /nfs/dbraw/zinc/44/09/45/166440945.db2.gz XLECEBZQZGZCGK-RNCFNFMXSA-N 0 0 231.295 2.336 10 0 BEAERN CC(=O)c1cccc(-c2cc[nH]c(=O)c2)c1 ZINC000065339102 166469611 /nfs/dbraw/zinc/46/96/11/166469611.db2.gz IZCFCNOIAYHAAQ-UHFFFAOYSA-N 0 0 213.236 2.245 10 0 BEAERN CC(=O)c1ccccc1O[C@H](C)[C@H](C)O ZINC000087131014 166483160 /nfs/dbraw/zinc/48/31/60/166483160.db2.gz QIGQRGGSWWZDAQ-WCBMZHEXSA-N 0 0 208.257 2.037 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1COc2cccnc21 ZINC000238854059 166667488 /nfs/dbraw/zinc/66/74/88/166667488.db2.gz MMMKQDVFOHNLQU-MRVPVSSYSA-N 0 0 236.271 2.040 10 0 BEAERN CC(C)(C)OC(=O)c1noc2cc(N)ccc21 ZINC000299889830 166674955 /nfs/dbraw/zinc/67/49/55/166674955.db2.gz PJBXYNGOGONZEB-UHFFFAOYSA-N 0 0 234.255 2.365 10 0 BEAERN CCCC1(C(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000336678376 410733486 /nfs/dbraw/zinc/73/34/86/410733486.db2.gz ANHAWLMDWSUYKJ-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN CC(C)C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000037965501 167013820 /nfs/dbraw/zinc/01/38/20/167013820.db2.gz XVTAMTPWNGIXJW-NSHDSACASA-N 0 0 243.253 2.336 10 0 BEAERN CC(C)[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594015 167028107 /nfs/dbraw/zinc/02/81/07/167028107.db2.gz WSZCUVSLLMOKAB-LBPRGKRZSA-N 0 0 219.284 2.079 10 0 BEAERN CC(C)NC(=O)CNc1ccc2c(c1)CCC2 ZINC000020048586 167060639 /nfs/dbraw/zinc/06/06/39/167060639.db2.gz NDDOVFCJJDXOEN-UHFFFAOYSA-N 0 0 232.327 2.112 10 0 BEAERN CC(C)NC(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000368451329 167071538 /nfs/dbraw/zinc/07/15/38/167071538.db2.gz RFHMGZDZMXCHKT-GHMZBOCLSA-N 0 0 210.321 2.369 10 0 BEAERN CC(C)NC(=O)Nc1ccc(Cl)c(N)c1 ZINC000020209105 167076805 /nfs/dbraw/zinc/07/68/05/167076805.db2.gz KOXOJJXSKQIHPI-UHFFFAOYSA-N 0 0 227.695 2.452 10 0 BEAERN CC(C)NC(=O)Nc1ccc(N)cc1Cl ZINC000020209085 167077145 /nfs/dbraw/zinc/07/71/45/167077145.db2.gz UQACCUCWDLKEMV-UHFFFAOYSA-N 0 0 227.695 2.452 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1cccc(F)c1 ZINC000020304469 167081955 /nfs/dbraw/zinc/08/19/55/167081955.db2.gz RTECZDDRNJLXDV-SECBINFHSA-N 0 0 224.279 2.151 10 0 BEAERN CC(C)NC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000019428518 167084561 /nfs/dbraw/zinc/08/45/61/167084561.db2.gz BGUPNJLVSQRCQK-PWSUYJOCSA-N 0 0 232.327 2.499 10 0 BEAERN CC(C)NC(=O)c1ccc(N[C@H]2CCOC2)cc1 ZINC000104063464 167086993 /nfs/dbraw/zinc/08/69/93/167086993.db2.gz DGTXFQBMKZYAID-ZDUSSCGKSA-N 0 0 248.326 2.026 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1ccc(F)cc1 ZINC000038115443 167136518 /nfs/dbraw/zinc/13/65/18/167136518.db2.gz OIGNGYIQWJDTMN-LBPRGKRZSA-N 0 0 211.280 2.031 10 0 BEAERN CC(C)Nc1ccc2c(c1)C(=O)CCO2 ZINC000365118118 167147719 /nfs/dbraw/zinc/14/77/19/167147719.db2.gz UELGUMOBNKRDBE-UHFFFAOYSA-N 0 0 205.257 2.472 10 0 BEAERN CC(C)Nc1cnn(-c2cccnc2)c1 ZINC000013208937 167148842 /nfs/dbraw/zinc/14/88/42/167148842.db2.gz DAUKRLSROVPSQP-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)Nc1ncnc(NC2CCCC2)c1N ZINC000040708330 167151972 /nfs/dbraw/zinc/15/19/72/167151972.db2.gz XBLOKVHAQJQCMI-UHFFFAOYSA-N 0 0 235.335 2.234 10 0 BEAERN CC(C)OC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000295743917 167163099 /nfs/dbraw/zinc/16/30/99/167163099.db2.gz QANHRMGRYXZPQF-NSHDSACASA-N 0 0 237.303 2.102 10 0 BEAERN CC(C)OC(=O)c1cccnc1N[C@@H]1C[C@@H]1C ZINC000302218579 167174461 /nfs/dbraw/zinc/17/44/61/167174461.db2.gz LCCIUSNHRRXQDV-GXSJLCMTSA-N 0 0 234.299 2.467 10 0 BEAERN CC(C)OCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000122700107 167183048 /nfs/dbraw/zinc/18/30/48/167183048.db2.gz LARPNQLVOUDHCZ-MNOVXSKESA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)OCC(=O)NCCC1CCCC1 ZINC000122024309 167186798 /nfs/dbraw/zinc/18/67/98/167186798.db2.gz BVCLIHZRHPKNER-UHFFFAOYSA-N 0 0 213.321 2.108 10 0 BEAERN CC(C)O[C@H](C)C1(C)COC(C)OC1 ZINC000005458240 167283397 /nfs/dbraw/zinc/28/33/97/167283397.db2.gz PNLAHFVUUHRTLK-KPPDAEKUSA-N 0 0 202.294 2.199 10 0 BEAERN O=C1[C@@H]2CCCC2=NN1Cc1cccc(F)c1 ZINC000103887360 410919127 /nfs/dbraw/zinc/91/91/27/410919127.db2.gz PBAUWXBBYODYQM-LLVKDONJSA-N 0 0 232.258 2.324 10 0 BEAERN CC(C)Oc1ccc([C@H]([NH2+]C2CC2)C(=O)[O-])cc1 ZINC000037742837 167301022 /nfs/dbraw/zinc/30/10/22/167301022.db2.gz QYOPUJPMWUWLFO-ZDUSSCGKSA-N 0 0 249.310 2.352 10 0 BEAERN CC(C)Oc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1 ZINC000013824575 167305215 /nfs/dbraw/zinc/30/52/15/167305215.db2.gz FPYRERVDZQWRBO-UHFFFAOYSA-N 0 0 243.266 2.192 10 0 BEAERN CC(C)Oc1ncccc1CNc1cccnn1 ZINC000052831078 167313620 /nfs/dbraw/zinc/31/36/20/167313620.db2.gz VNOLYPNAEHTRBU-UHFFFAOYSA-N 0 0 244.298 2.271 10 0 BEAERN CC(C)Oc1ncccc1NCc1nccn1C ZINC000042392470 167314587 /nfs/dbraw/zinc/31/45/87/167314587.db2.gz DMYUCGIWFICWCU-UHFFFAOYSA-N 0 0 246.314 2.214 10 0 BEAERN CC(C)Sc1ccc(S(C)(=O)=O)cc1N ZINC000037684989 167336786 /nfs/dbraw/zinc/33/67/86/167336786.db2.gz VVWZBHZXLYBFMC-UHFFFAOYSA-N 0 0 245.369 2.173 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172260099 167349370 /nfs/dbraw/zinc/34/93/70/167349370.db2.gz MNGRLTKEXLVIKI-VXGBXAGGSA-N 0 0 249.358 2.028 10 0 BEAERN CC(C)[C@@H](C)N(C)C(=O)c1ccccc1N ZINC000037504591 167366328 /nfs/dbraw/zinc/36/63/28/167366328.db2.gz HIRRUKORIBNCAX-SNVBAGLBSA-N 0 0 220.316 2.385 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC1Cc2ccccc2C1 ZINC000186463768 167374927 /nfs/dbraw/zinc/37/49/27/167374927.db2.gz MWLADKFADSFPDM-LLVKDONJSA-N 0 0 246.354 2.498 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cccc(F)c1N ZINC000054207018 167380074 /nfs/dbraw/zinc/38/00/74/167380074.db2.gz IDFKVSPIEGFYSY-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)[C@@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000041066637 167460332 /nfs/dbraw/zinc/46/03/32/167460332.db2.gz WQZDUXZBYVFOCQ-CYBMUJFWSA-N 0 0 219.284 2.261 10 0 BEAERN CC(C)c1cc(N)nc(C2CCOCC2)n1 ZINC000052177337 167572974 /nfs/dbraw/zinc/57/29/74/167572974.db2.gz QDNVHJBHJBKVPU-UHFFFAOYSA-N 0 0 221.304 2.076 10 0 BEAERN CC(C)c1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC000057519377 167592454 /nfs/dbraw/zinc/59/24/54/167592454.db2.gz UPPYIDRXGXGAOX-UHFFFAOYSA-N 0 0 231.295 2.330 10 0 BEAERN CC(C)c1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000057491758 167613884 /nfs/dbraw/zinc/61/38/84/167613884.db2.gz NABDJDULMZJDJD-LBPRGKRZSA-N 0 0 203.285 2.414 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)C/C=C/c1ccccc1 ZINC000044621583 411138731 /nfs/dbraw/zinc/13/87/31/411138731.db2.gz SBNDXVUDCFWPBM-UTSBKAFOSA-N 0 0 233.311 2.495 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCOCC(F)(F)F ZINC000045279687 411144850 /nfs/dbraw/zinc/14/48/50/411144850.db2.gz DMHIWWQJPGERHQ-MRVPVSSYSA-N 0 0 241.253 2.116 10 0 BEAERN COc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1 ZINC000109106072 411148999 /nfs/dbraw/zinc/14/89/99/411148999.db2.gz YVSFLXVDJKBDAU-NSHDSACASA-N 0 0 230.267 2.198 10 0 BEAERN CC(C)c1nn(C)cc1N[C@H](C)c1cnn(C)c1 ZINC000280945316 167700635 /nfs/dbraw/zinc/70/06/35/167700635.db2.gz SVFBDLXBDJVKGH-SNVBAGLBSA-N 0 0 247.346 2.450 10 0 BEAERN O=Cc1ccc(Nc2nccs2)nc1 ZINC000197904230 411123684 /nfs/dbraw/zinc/12/36/84/411123684.db2.gz WVSGPYSWOMVIPP-UHFFFAOYSA-N 0 0 205.242 2.094 10 0 BEAERN CCN(CC)c1c(C)c(=O)c(C)cn1CC ZINC000039102322 169802959 /nfs/dbraw/zinc/80/29/59/169802959.db2.gz CGPRATMZNMNRSO-UHFFFAOYSA-N 0 0 222.332 2.331 10 0 BEAERN CC(C)n1ccnc(N[C@H]2CC2(C)C)c1=O ZINC000061766043 167769650 /nfs/dbraw/zinc/76/96/50/167769650.db2.gz LYDGROWLZKBMTG-VIFPVBQESA-N 0 0 221.304 2.035 10 0 BEAERN CC(C)c1csc(NC(=O)c2cc[nH]n2)n1 ZINC000048502418 411202415 /nfs/dbraw/zinc/20/24/15/411202415.db2.gz QGBPPERPTHAPSB-UHFFFAOYSA-N 0 0 236.300 2.242 10 0 BEAERN CC(C)n1cnnc1-c1ccc(F)c(N)c1 ZINC000054498129 167783775 /nfs/dbraw/zinc/78/37/75/167783775.db2.gz XJHZEABMZSMKFD-UHFFFAOYSA-N 0 0 220.251 2.247 10 0 BEAERN CCOc1ccccc1CN(C)C(=O)NC1CC1 ZINC000049127294 411225446 /nfs/dbraw/zinc/22/54/46/411225446.db2.gz HLENNUXXOMUXME-UHFFFAOYSA-N 0 0 248.326 2.389 10 0 BEAERN CCc1cc(NC(=O)c2cccc(F)c2)n[nH]1 ZINC000049138928 411226562 /nfs/dbraw/zinc/22/65/62/411226562.db2.gz BVGMPZRHZXEKNM-UHFFFAOYSA-N 0 0 233.246 2.364 10 0 BEAERN Clc1ccc2c(c1)NC[C@@]21CCOC1 ZINC000536959052 411266163 /nfs/dbraw/zinc/26/61/63/411266163.db2.gz OFPLDKXGMAPDPC-LLVKDONJSA-N 0 0 209.676 2.424 10 0 BEAERN C[C@@H](O)CN(C)c1nccc2sccc21 ZINC000051821118 411283505 /nfs/dbraw/zinc/28/35/05/411283505.db2.gz MMVUMUFDASSGHT-MRVPVSSYSA-N 0 0 222.313 2.113 10 0 BEAERN CC1(C)CC2=C1[C@H](C(F)(F)F)OC2=O ZINC000083235834 167889801 /nfs/dbraw/zinc/88/98/01/167889801.db2.gz UPUZXTBEBBGFHF-ZCFIWIBFSA-N 0 0 206.163 2.201 10 0 BEAERN CC1(C)CCC(NC(=O)NCCF)CC1 ZINC000001870726 167890435 /nfs/dbraw/zinc/89/04/35/167890435.db2.gz LJQBDSYIKPNLBG-UHFFFAOYSA-N 0 0 216.300 2.224 10 0 BEAERN CC1(C)CCc2sc3ncnc(N)c3c21 ZINC000072123356 167943985 /nfs/dbraw/zinc/94/39/85/167943985.db2.gz YLUHUQPDKGYXHV-UHFFFAOYSA-N 0 0 219.313 2.497 10 0 BEAERN CCCC[N@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000304190021 411352928 /nfs/dbraw/zinc/35/29/28/411352928.db2.gz UKFMGEYGISFXDB-UHFFFAOYSA-N 0 0 236.315 2.402 10 0 BEAERN C[C@@H]1C[C@H](C)[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304198252 411353175 /nfs/dbraw/zinc/35/31/75/411353175.db2.gz YEADVOHGELMJBC-ZJUUUORDSA-N 0 0 234.299 2.010 10 0 BEAERN C[C@@H]1COC[C@H]1c1nc(Br)ns1 ZINC000575597488 411342539 /nfs/dbraw/zinc/34/25/39/411342539.db2.gz JIEFJQUWNMZDRN-RFZPGFLSSA-N 0 0 249.133 2.051 10 0 BEAERN C[C@@H]1COC[C@@H]1c1nc(Br)ns1 ZINC000575597489 411342560 /nfs/dbraw/zinc/34/25/60/411342560.db2.gz JIEFJQUWNMZDRN-UHNVWZDZSA-N 0 0 249.133 2.051 10 0 BEAERN CC1(CCc2ccccc2)CC(=O)NC(=O)C1 ZINC000062950826 168022121 /nfs/dbraw/zinc/02/21/21/168022121.db2.gz JOKUMBUOUXFPMD-UHFFFAOYSA-N 0 0 231.295 2.062 10 0 BEAERN CC1(NC(=O)c2cc(N)c[nH]2)CCCCC1 ZINC000045024606 168060318 /nfs/dbraw/zinc/06/03/18/168060318.db2.gz WZGSFUATVMRTBV-UHFFFAOYSA-N 0 0 221.304 2.050 10 0 BEAERN CC1(Nc2ncc(N)cn2)CCCCC1 ZINC000045042364 168065677 /nfs/dbraw/zinc/06/56/77/168065677.db2.gz MSGCAMZHRSIHKT-UHFFFAOYSA-N 0 0 206.293 2.194 10 0 BEAERN CC1=C(C(=O)N2C[C@@H]3CCC[C@@H]32)CCC1 ZINC000336317908 168077069 /nfs/dbraw/zinc/07/70/69/168077069.db2.gz PGECLXGTFWGBLZ-JQWIXIFHSA-N 0 0 205.301 2.498 10 0 BEAERN CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1O ZINC000005964314 168090121 /nfs/dbraw/zinc/09/01/21/168090121.db2.gz ZCEUBPHEBYXFLM-VHRBIJSZSA-N 0 0 248.278 2.355 10 0 BEAERN CC1=CCCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000281637832 168095913 /nfs/dbraw/zinc/09/59/13/168095913.db2.gz XWXKOOOPOQHCCB-NSHDSACASA-N 0 0 210.321 2.393 10 0 BEAERN CC1=CCN(C(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000336381944 168106981 /nfs/dbraw/zinc/10/69/81/168106981.db2.gz ITOGDXHFBWBVQB-CHWSQXEVSA-N 0 0 237.343 2.226 10 0 BEAERN CC1=CC[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000043761796 168122248 /nfs/dbraw/zinc/12/22/48/168122248.db2.gz NZRUDSFCUBXEEP-MNOVXSKESA-N 0 0 214.330 2.168 10 0 BEAERN CC1=C[C@H](c2ccccc2)Nc2ncnn21 ZINC000045285941 168131862 /nfs/dbraw/zinc/13/18/62/168131862.db2.gz ICFIXKXTMKXEFG-LLVKDONJSA-N 0 0 212.256 2.306 10 0 BEAERN Cc1cc(=O)n(-c2cccc(OC(F)F)c2)[nH]1 ZINC000106882094 168133828 /nfs/dbraw/zinc/13/38/28/168133828.db2.gz VCGGHBYOQKZRQE-UHFFFAOYSA-N 0 0 240.209 2.401 10 0 BEAERN CC1=Nc2ccc3nsnc3c2NC(=O)C1 ZINC000101632034 168137419 /nfs/dbraw/zinc/13/74/19/168137419.db2.gz NCNZBZHKYKYPNS-UHFFFAOYSA-N 0 0 232.268 2.126 10 0 BEAERN CC1CCC(C[NH2+]C2(C(=O)[O-])CC2)CC1 ZINC000336715321 168155462 /nfs/dbraw/zinc/15/54/62/168155462.db2.gz WODUWDKQSZXSHY-UHFFFAOYSA-N 0 0 211.305 2.020 10 0 BEAERN CC1CCC(CO)(Nc2ccc(N)cn2)CC1 ZINC000053114231 168157009 /nfs/dbraw/zinc/15/70/09/168157009.db2.gz SBKILMGKZUICIV-UHFFFAOYSA-N 0 0 235.331 2.017 10 0 BEAERN CC1CCC(NC(=O)c2csc(N)n2)CC1 ZINC000055185134 168162843 /nfs/dbraw/zinc/16/28/43/168162843.db2.gz GXDHUHDCPLDLCM-UHFFFAOYSA-N 0 0 239.344 2.034 10 0 BEAERN CC1CCC(OC(=O)[C@H](N)C(C)(C)C)CC1 ZINC000048633081 168166895 /nfs/dbraw/zinc/16/68/95/168166895.db2.gz QNEZTCSQXAXKCT-ILDUYXDCSA-N 0 0 227.348 2.482 10 0 BEAERN CCC(=O)N(C)[C@@H](C)c1cccc(N)c1 ZINC000037408902 168210839 /nfs/dbraw/zinc/21/08/39/168210839.db2.gz IZOJYCLYSKBDIM-VIFPVBQESA-N 0 0 206.289 2.198 10 0 BEAERN CCC(=O)N(C)CCOc1ccc(C)cc1 ZINC000052632506 168211656 /nfs/dbraw/zinc/21/16/56/168211656.db2.gz IZVQRBFRKBZWHU-UHFFFAOYSA-N 0 0 221.300 2.242 10 0 BEAERN CCC(=O)N(Cc1ccccc1N)C1CC1 ZINC000035366343 168213299 /nfs/dbraw/zinc/21/32/99/168213299.db2.gz JLRVLLLCGUBWSI-UHFFFAOYSA-N 0 0 218.300 2.170 10 0 BEAERN CCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105846425 168219964 /nfs/dbraw/zinc/21/99/64/168219964.db2.gz CAZMLETVGMYMAN-NSHDSACASA-N 0 0 235.331 2.110 10 0 BEAERN CCC(=O)N[C@@H](C)COCc1ccccc1 ZINC000172959172 168234247 /nfs/dbraw/zinc/23/42/47/168234247.db2.gz TUDLKYLNEQESKM-NSHDSACASA-N 0 0 221.300 2.118 10 0 BEAERN CCC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000128826960 168235565 /nfs/dbraw/zinc/23/55/65/168235565.db2.gz HJBTURRSNCZYLY-GXSJLCMTSA-N 0 0 219.284 2.077 10 0 BEAERN CCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000013781236 168241094 /nfs/dbraw/zinc/24/10/94/168241094.db2.gz PGUPSDWJGZRTBH-LBPRGKRZSA-N 0 0 203.285 2.070 10 0 BEAERN CCC(=O)c1cc(N)ccc1OC(F)F ZINC000041228016 168254434 /nfs/dbraw/zinc/25/44/34/168254434.db2.gz IMWCTHBJLGAEKP-UHFFFAOYSA-N 0 0 215.199 2.463 10 0 BEAERN CCC(=O)c1ccccc1OCCOC ZINC000019485937 168258710 /nfs/dbraw/zinc/25/87/10/168258710.db2.gz MQHDRRSHHZTHOB-UHFFFAOYSA-N 0 0 208.257 2.305 10 0 BEAERN CCC(=O)c1ccccc1O[C@H](C)[C@H](C)O ZINC000087131029 168258927 /nfs/dbraw/zinc/25/89/27/168258927.db2.gz VMHNGHZAEJOSDO-VHSXEESVSA-N 0 0 222.284 2.427 10 0 BEAERN CCC(C)(C)C(=O)Nc1ccc(N)cn1 ZINC000054401501 168268857 /nfs/dbraw/zinc/26/88/57/168268857.db2.gz BTTLIGFHSPWPDC-UHFFFAOYSA-N 0 0 207.277 2.039 10 0 BEAERN CCC(C)(C)NC(=O)CN1Cc2ccccc2C1 ZINC000106305682 168289952 /nfs/dbraw/zinc/28/99/52/168289952.db2.gz NZWZTLOHAUDORY-UHFFFAOYSA-N 0 0 246.354 2.307 10 0 BEAERN CCC(C)(C)NC(=O)CSCCOC(C)C ZINC000105638212 168291878 /nfs/dbraw/zinc/29/18/78/168291878.db2.gz NVYHWWHCCZZLKH-UHFFFAOYSA-N 0 0 247.404 2.449 10 0 BEAERN CCC(C)(C)NC(=O)c1nc(N)ccc1Cl ZINC000050696940 168298011 /nfs/dbraw/zinc/29/80/11/168298011.db2.gz IPXCYVTXIBYZEE-UHFFFAOYSA-N 0 0 241.722 2.236 10 0 BEAERN CCC(C)(C)OCc1ccc(C(N)=O)cc1N ZINC000037285345 168304187 /nfs/dbraw/zinc/30/41/87/168304187.db2.gz KZCAMKYYIHHSHA-UHFFFAOYSA-N 0 0 236.315 2.073 10 0 BEAERN CCC(C)(CC)NC(=O)C(=O)Nc1ccccc1 ZINC000112937846 168307744 /nfs/dbraw/zinc/30/77/44/168307744.db2.gz DBTRUJXRWSIRNF-UHFFFAOYSA-N 0 0 248.326 2.320 10 0 BEAERN CCC(C)(CC)NC(=O)CCCCOC ZINC000112827288 168307747 /nfs/dbraw/zinc/30/77/47/168307747.db2.gz WRPNYDQSCUYMNM-UHFFFAOYSA-N 0 0 215.337 2.498 10 0 BEAERN CCC(C)(CC)NC(=O)NCCCCOC ZINC000121067203 168308746 /nfs/dbraw/zinc/30/87/46/168308746.db2.gz NFHQHNWJIBQWRY-UHFFFAOYSA-N 0 0 230.352 2.291 10 0 BEAERN CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](CCO)C1 ZINC000222460451 411399797 /nfs/dbraw/zinc/39/97/97/411399797.db2.gz PZIZHTMMLHJNII-AXFHLTTASA-N 0 0 200.322 2.192 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@H](O)C2CC2)n1 ZINC000122449514 411432724 /nfs/dbraw/zinc/43/27/24/411432724.db2.gz KYFIMSVHVWUYBZ-LBPRGKRZSA-N 0 0 235.331 2.091 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H](C)C[C@H](C)O)n1 ZINC000122512672 411433898 /nfs/dbraw/zinc/43/38/98/411433898.db2.gz YKWJHOZOUBEXSN-KOLCDFICSA-N 0 0 237.347 2.480 10 0 BEAERN Cc1cc(C(C)C)nc(NC2(CO)CCC2)n1 ZINC000122989548 411437498 /nfs/dbraw/zinc/43/74/98/411437498.db2.gz ACFGSYFQSKGDRV-UHFFFAOYSA-N 0 0 235.331 2.235 10 0 BEAERN CCN(Cc1ccccc1)C(=O)CC[C@H](C)O ZINC000049827561 169913725 /nfs/dbraw/zinc/91/37/25/169913725.db2.gz HEFZYVJPJLTSAQ-LBPRGKRZSA-N 0 0 235.327 2.196 10 0 BEAERN CCN(c1ccc(F)cc1)c1nccnc1CN ZINC000054378152 169942279 /nfs/dbraw/zinc/94/22/79/169942279.db2.gz NHTGXLVNAUIVIF-UHFFFAOYSA-N 0 0 246.289 2.232 10 0 BEAERN CCN(c1ccc(F)cc1C=O)[C@@H](C)COC ZINC000042770196 169942293 /nfs/dbraw/zinc/94/22/93/169942293.db2.gz YUGBZCCWSBAJPP-JTQLQIEISA-N 0 0 239.290 2.499 10 0 BEAERN CCN1C(=O)C(Cl)=C(c2ccccc2)C1=O ZINC000090450774 169945768 /nfs/dbraw/zinc/94/57/68/169945768.db2.gz GUMYVRDYQKRFGA-UHFFFAOYSA-N 0 0 235.670 2.025 10 0 BEAERN CCN1CCCc2cc(OC)ccc2C1=O ZINC000039102157 169981841 /nfs/dbraw/zinc/98/18/41/169981841.db2.gz BPLPQINMCJLMDY-UHFFFAOYSA-N 0 0 219.284 2.104 10 0 BEAERN CCNC(=O)Cc1c[nH]c2c1cccc2CC ZINC000109204535 170070151 /nfs/dbraw/zinc/07/01/51/170070151.db2.gz SCDVXPYDTBEXFU-UHFFFAOYSA-N 0 0 230.311 2.409 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(C)c(C)c1 ZINC000020307476 170088837 /nfs/dbraw/zinc/08/88/37/170088837.db2.gz QQWXKPXMHWXTIY-LLVKDONJSA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(Cl)cc1 ZINC000020307723 170089059 /nfs/dbraw/zinc/08/90/59/170089059.db2.gz YGTKBUKCSGYRNQ-MRVPVSSYSA-N 0 0 226.707 2.277 10 0 BEAERN CCNC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000019488472 170092569 /nfs/dbraw/zinc/09/25/69/170092569.db2.gz WJTOLXVWWOKPJN-MWLCHTKSSA-N 0 0 218.300 2.110 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(Cl)cc1 ZINC000020307724 170096641 /nfs/dbraw/zinc/09/66/41/170096641.db2.gz YGTKBUKCSGYRNQ-QMMMGPOBSA-N 0 0 226.707 2.277 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(C)c(C)c1 ZINC000020307478 170096851 /nfs/dbraw/zinc/09/68/51/170096851.db2.gz QQWXKPXMHWXTIY-NSHDSACASA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cccc(Cl)c1F ZINC000020306810 170096944 /nfs/dbraw/zinc/09/69/44/170096944.db2.gz MTSPPNPSYDFQFD-ZETCQYMHSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)c1cc(N[C@H](C)C2CC2)ccn1 ZINC000035733779 170100720 /nfs/dbraw/zinc/10/07/20/170100720.db2.gz GDMCRKKZALJPLP-SECBINFHSA-N 0 0 233.315 2.042 10 0 BEAERN CCNC(=O)c1cccc(-c2cncc(O)c2)c1 ZINC000065339479 170103335 /nfs/dbraw/zinc/10/33/35/170103335.db2.gz WNWSDQXCNFYBAR-UHFFFAOYSA-N 0 0 242.278 2.204 10 0 BEAERN CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000049088648 170104555 /nfs/dbraw/zinc/10/45/55/170104555.db2.gz BBJSLRKHTYDGOU-UHFFFAOYSA-N 0 0 249.701 2.275 10 0 BEAERN CCN[C@@H](c1ccccc1)c1ncccn1 ZINC000037469189 170148647 /nfs/dbraw/zinc/14/86/47/170148647.db2.gz HKUYSVYLPCLCBF-LBPRGKRZSA-N 0 0 213.284 2.176 10 0 BEAERN CCN[C@H](c1ccccc1C)c1ncccn1 ZINC000037536337 170149761 /nfs/dbraw/zinc/14/97/61/170149761.db2.gz QGBZDVUFYIFLFE-CYBMUJFWSA-N 0 0 227.311 2.484 10 0 BEAERN CC[NH2+][C@@H]1c2cccc(OC)c2O[C@@H]1C ZINC000043633334 170154799 /nfs/dbraw/zinc/15/47/99/170154799.db2.gz ILSHZDCFJHPWAH-KCJUWKMLSA-N 0 0 207.273 2.127 10 0 BEAERN CCN[C@H](c1ccccc1)c1ncccn1 ZINC000037469190 170165128 /nfs/dbraw/zinc/16/51/28/170165128.db2.gz HKUYSVYLPCLCBF-GFCCVEGCSA-N 0 0 213.284 2.176 10 0 BEAERN CC[NH2+][C@H]1c2cc(F)cc(F)c2O[C@H]1C ZINC000043634001 170170042 /nfs/dbraw/zinc/17/00/42/170170042.db2.gz ROERELUNIAYFDG-QUBYGPBYSA-N 0 0 213.227 2.396 10 0 BEAERN CCNc1c(C(=O)[O-])c[nH+]c2ccccc21 ZINC000041718996 170170092 /nfs/dbraw/zinc/17/00/92/170170092.db2.gz UFTWGMQMEQLEMZ-UHFFFAOYSA-N 0 0 216.240 2.365 10 0 BEAERN CC[NH2+][C@](C)(C(=O)[O-])c1ccc(C)c(C)c1 ZINC000037181634 170170679 /nfs/dbraw/zinc/17/06/79/170170679.db2.gz PVPLNTNSTAZURL-ZDUSSCGKSA-N 0 0 221.300 2.213 10 0 BEAERN CCN[C@](C)(C(=O)OC)c1ccc(C)c(C)c1 ZINC000037446820 170170854 /nfs/dbraw/zinc/17/08/54/170170854.db2.gz SYDBVFOHTQDQOA-AWEZNQCLSA-N 0 0 235.327 2.301 10 0 BEAERN CCNc1cc(C)c(-c2ccco2)nn1 ZINC000054931191 170171055 /nfs/dbraw/zinc/17/10/55/170171055.db2.gz RSURDEFNPRDPIF-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1cc(C(=O)N[C@@H]2CC2(C)C)ccn1 ZINC000050776888 170171592 /nfs/dbraw/zinc/17/15/92/170171592.db2.gz WIASRHDFCZLFDX-SNVBAGLBSA-N 0 0 233.315 2.042 10 0 BEAERN CCNc1cc(CN2C[C@H](C)OC[C@@H]2C)ccn1 ZINC000052720719 170172432 /nfs/dbraw/zinc/17/24/32/170172432.db2.gz BXCYYTGETXVFPR-RYUDHWBXSA-N 0 0 249.358 2.123 10 0 BEAERN CCNc1ccc(-c2cccc(O)c2)nn1 ZINC000054931171 170172867 /nfs/dbraw/zinc/17/28/67/170172867.db2.gz OHQQJADSCNLEDX-UHFFFAOYSA-N 0 0 215.256 2.281 10 0 BEAERN CCNc1ccc(Cl)c(C(=O)N(C)CC)n1 ZINC000050747230 170173255 /nfs/dbraw/zinc/17/32/55/170173255.db2.gz CNRPKYBJHPQJIZ-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN CCNc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000037136256 170174272 /nfs/dbraw/zinc/17/42/72/170174272.db2.gz QNCRFRSWSOXIJF-UHFFFAOYSA-N 0 0 248.735 2.143 10 0 BEAERN CCNc1ccnc(C(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071211461 170175347 /nfs/dbraw/zinc/17/53/47/170175347.db2.gz JHFPGCKHFKIKJC-CMPLNLGQSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1nc(Cc2ccc(F)cc2)no1 ZINC000053750221 170176092 /nfs/dbraw/zinc/17/60/92/170176092.db2.gz LVVXBEOXQMIYRE-UHFFFAOYSA-N 0 0 221.235 2.231 10 0 BEAERN CCNc1nc(Cc2ccccc2)no1 ZINC000053750202 170176399 /nfs/dbraw/zinc/17/63/99/170176399.db2.gz XMXBNYWVENSEFM-UHFFFAOYSA-N 0 0 203.245 2.092 10 0 BEAERN CCNc1nc(Cl)nc(SCC)n1 ZINC000002034603 170177309 /nfs/dbraw/zinc/17/73/09/170177309.db2.gz LXNPKBBVKOYXSB-UHFFFAOYSA-N 0 0 218.713 2.069 10 0 BEAERN CCNc1ncccc1C(=O)N[C@H]1CCC[C@@H]1C ZINC000104152069 170177881 /nfs/dbraw/zinc/17/78/81/170177881.db2.gz LGUBPEYSGALGGE-JQWIXIFHSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1ncccc1Cn1cc(C)cn1 ZINC000052733520 170177930 /nfs/dbraw/zinc/17/79/30/170177930.db2.gz ICYSYUHXSYHDBX-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCOC(=N)[C@H](O)c1c(F)cccc1OCC ZINC000034102027 170180241 /nfs/dbraw/zinc/18/02/41/170180241.db2.gz HHYDMQPQBPOVBD-LLVKDONJSA-N 0 0 241.262 2.272 10 0 BEAERN CCOC(=N)[C@@H](O)c1ccc(OC)c(C)c1 ZINC000145514015 170180281 /nfs/dbraw/zinc/18/02/81/170180281.db2.gz PJBYFXYOVIRWOD-NSHDSACASA-N 0 0 223.272 2.051 10 0 BEAERN CCOC(=N)[C@@H](O)c1c(F)cccc1OCC ZINC000034102026 170180516 /nfs/dbraw/zinc/18/05/16/170180516.db2.gz HHYDMQPQBPOVBD-NSHDSACASA-N 0 0 241.262 2.272 10 0 BEAERN CCOC(=O)/C=C/c1cncnc1C(F)(F)F ZINC000095092951 170183221 /nfs/dbraw/zinc/18/32/21/170183221.db2.gz CTPGXIHHAFIPNS-ONEGZZNKSA-N 0 0 246.188 2.072 10 0 BEAERN CCOC(=O)C(O)=C(CC)C(=O)c1ccccc1 ZINC000100042938 170184250 /nfs/dbraw/zinc/18/42/50/170184250.db2.gz OLAHGKSSHSOCKK-LLVKDONJSA-N 0 0 248.278 2.028 10 0 BEAERN CCOC(=O)C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000051755479 170184600 /nfs/dbraw/zinc/18/46/00/170184600.db2.gz FHBHOSVNBSYNLV-UHFFFAOYSA-N 0 0 248.278 2.146 10 0 BEAERN CCOC(=O)C(C)(C)Sc1cnc(N)s1 ZINC000090462964 170188243 /nfs/dbraw/zinc/18/82/43/170188243.db2.gz PSKHNOASLUSHEP-UHFFFAOYSA-N 0 0 246.357 2.159 10 0 BEAERN CCOC(=O)C1(NC)CCCCCCC1 ZINC000037458710 170190758 /nfs/dbraw/zinc/19/07/58/170190758.db2.gz GPDPGFWQQAOYEK-UHFFFAOYSA-N 0 0 213.321 2.252 10 0 BEAERN CCOC(=O)C1=C(C)C[N@H+](Cc2ccccc2)C1 ZINC000033338905 170191573 /nfs/dbraw/zinc/19/15/73/170191573.db2.gz CHKHVYMGUQOCPB-UHFFFAOYSA-N 0 0 245.322 2.382 10 0 BEAERN CCOC(=O)CC1=CC[C@H](C(=O)OCC)CC1 ZINC000095091736 170198074 /nfs/dbraw/zinc/19/80/74/170198074.db2.gz MKWUMZAFGNGUAU-NSHDSACASA-N 0 0 240.299 2.229 10 0 BEAERN CCOC(=O)CC1(C)Oc2ccccc2O1 ZINC000001633988 170198171 /nfs/dbraw/zinc/19/81/71/170198171.db2.gz ANOXFMUKNSMTSM-UHFFFAOYSA-N 0 0 222.240 2.127 10 0 BEAERN CCOC(=O)CCNc1ccc(Cl)cn1 ZINC000041676733 170209944 /nfs/dbraw/zinc/20/99/44/170209944.db2.gz BEGTXQCSICKPNF-UHFFFAOYSA-N 0 0 228.679 2.100 10 0 BEAERN CCOC(=O)CCNc1ccc(F)cc1OC ZINC000049567191 170210269 /nfs/dbraw/zinc/21/02/69/170210269.db2.gz VLUJAHGMWDVBGX-UHFFFAOYSA-N 0 0 241.262 2.199 10 0 BEAERN CCOC(=O)CN(C)C(=O)C[C@@H](C)C(C)(C)C ZINC000104441115 170213051 /nfs/dbraw/zinc/21/30/51/170213051.db2.gz JAKIYSLAFCITMD-SNVBAGLBSA-N 0 0 243.347 2.080 10 0 BEAERN CCOC(=O)CNCc1ccc2ccccc2c1 ZINC000037563472 170225335 /nfs/dbraw/zinc/22/53/35/170225335.db2.gz DJDJXYDCOZEQMM-UHFFFAOYSA-N 0 0 243.306 2.493 10 0 BEAERN CCOC(=O)CNCc1ccc(SC)cc1 ZINC000037472520 170225568 /nfs/dbraw/zinc/22/55/68/170225568.db2.gz GGGYRWQVVDIBGT-UHFFFAOYSA-N 0 0 239.340 2.061 10 0 BEAERN CCOC(=O)COc1ccc([C@H](O)CC)cc1 ZINC000035628288 170228842 /nfs/dbraw/zinc/22/88/42/170228842.db2.gz NGRPILGKTQJWFR-GFCCVEGCSA-N 0 0 238.283 2.072 10 0 BEAERN CCOC(=O)COc1ccc([C@@H](O)CC)cc1 ZINC000035628287 170228843 /nfs/dbraw/zinc/22/88/43/170228843.db2.gz NGRPILGKTQJWFR-LBPRGKRZSA-N 0 0 238.283 2.072 10 0 BEAERN CCOC(=O)COc1ccc2ccncc2c1 ZINC000095936079 170229142 /nfs/dbraw/zinc/22/91/42/170229142.db2.gz YDTMMAZZKODQLH-UHFFFAOYSA-N 0 0 231.251 2.177 10 0 BEAERN CCOC(=O)CSc1c(F)cc(N)cc1F ZINC000038040448 170229699 /nfs/dbraw/zinc/22/96/99/170229699.db2.gz KOHDCEKWAOYTEO-UHFFFAOYSA-N 0 0 247.266 2.202 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(C)cn1 ZINC000095763975 170235010 /nfs/dbraw/zinc/23/50/10/170235010.db2.gz BYPXUICUIJRKGK-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1ccc(CC)c(O)c1 ZINC000039101235 170235073 /nfs/dbraw/zinc/23/50/73/170235073.db2.gz LDSSZAKPTWIXGJ-UHFFFAOYSA-N 0 0 208.257 2.060 10 0 BEAERN CCOC(=O)Cc1cncc(Cl)c1C ZINC000095763980 170236355 /nfs/dbraw/zinc/23/63/55/170236355.db2.gz FOELURNDHWBOOB-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1nc2cc(C)ccc2o1 ZINC000095756229 170237057 /nfs/dbraw/zinc/23/70/57/170237057.db2.gz JGPMMGZUJFVLEY-UHFFFAOYSA-N 0 0 219.240 2.242 10 0 BEAERN CCOC(=O)[C@@H](Cc1ccccc1)OCC ZINC000095931081 170252082 /nfs/dbraw/zinc/25/20/82/170252082.db2.gz VBKVLMSKNRQUPD-GFCCVEGCSA-N 0 0 222.284 2.197 10 0 BEAERN CCOC(=O)[C@@H](N)CC1CCCCCC1 ZINC000044343775 170252241 /nfs/dbraw/zinc/25/22/41/170252241.db2.gz SNYFALYKMLMZBC-NSHDSACASA-N 0 0 213.321 2.237 10 0 BEAERN CCOC(=O)[C@@H](N)C[C@@H](C)c1ccccc1 ZINC000044339628 170253953 /nfs/dbraw/zinc/25/39/53/170253953.db2.gz CNEPLNXSKZZCMI-PWSUYJOCSA-N 0 0 221.300 2.071 10 0 BEAERN CCOC(=O)[C@@H](O)c1ccccc1C(C)C ZINC000076163275 170256012 /nfs/dbraw/zinc/25/60/12/170256012.db2.gz HZHVSKBJGPSDCK-LBPRGKRZSA-N 0 0 222.284 2.407 10 0 BEAERN CCOC(=O)[C@@H](O)c1cccc(OC(C)C)c1 ZINC000050976013 170256495 /nfs/dbraw/zinc/25/64/95/170256495.db2.gz OEXJELDDERJOQM-LBPRGKRZSA-N 0 0 238.283 2.070 10 0 BEAERN CCOC(=O)[C@@](C)(CC)NC1CCCC1 ZINC000037970436 170260223 /nfs/dbraw/zinc/26/02/23/170260223.db2.gz FZKBQZUEJGRKBO-GFCCVEGCSA-N 0 0 213.321 2.250 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H]1CCOc2ccccc21 ZINC000049367699 170268274 /nfs/dbraw/zinc/26/82/74/170268274.db2.gz WNRXVSVZNIMFEH-JQWIXIFHSA-N 0 0 249.310 2.051 10 0 BEAERN CCOC(=O)[C@H](C)NCc1c[nH]c2ccccc12 ZINC000051754345 170268362 /nfs/dbraw/zinc/26/83/62/170268362.db2.gz TZEIZYUUOYCVCG-JTQLQIEISA-N 0 0 246.310 2.209 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)c2cccc(F)c21 ZINC000036439551 170278637 /nfs/dbraw/zinc/27/86/37/170278637.db2.gz BXFOVUZVFGSDDJ-VIFPVBQESA-N 0 0 236.242 2.449 10 0 BEAERN CCOC(=O)[C@](C)(N)c1ccc(F)c(Cl)c1 ZINC000037459973 170283522 /nfs/dbraw/zinc/28/35/22/170283522.db2.gz TUASHJKEZMZDQX-LLVKDONJSA-N 0 0 245.681 2.216 10 0 BEAERN CCOC(=O)[C@](CC)(NC)c1ccc(F)cc1 ZINC000037458555 170286071 /nfs/dbraw/zinc/28/60/71/170286071.db2.gz KFNKHCQIAQFFTA-CYBMUJFWSA-N 0 0 239.290 2.214 10 0 BEAERN CCOC(=O)c1[nH]c(Cc2ccccc2)cc1N ZINC000095093454 170286754 /nfs/dbraw/zinc/28/67/54/170286754.db2.gz VUNZFUVOWLUVJF-UHFFFAOYSA-N 0 0 244.294 2.364 10 0 BEAERN CCOC(=O)c1c(C)cc(C)c(N)c1C ZINC000062350435 170287228 /nfs/dbraw/zinc/28/72/28/170287228.db2.gz KQLCNCHLBPWZPS-UHFFFAOYSA-N 0 0 207.273 2.371 10 0 BEAERN CCOC(=O)c1c(N)cccc1C(F)(F)F ZINC000047202630 170289092 /nfs/dbraw/zinc/28/90/92/170289092.db2.gz SOXUVQRDAOTFFR-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN CCOC(=O)c1c(SC)nc2ccccn21 ZINC000033747859 170289768 /nfs/dbraw/zinc/28/97/68/170289768.db2.gz LHKMMNHGQHFTBJ-UHFFFAOYSA-N 0 0 236.296 2.233 10 0 BEAERN CCOC(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000003608865 170290553 /nfs/dbraw/zinc/29/05/53/170290553.db2.gz DTYYWXDWSQOSNT-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN CCOC(=O)c1cc(-c2ccco2)no1 ZINC000090470996 170290682 /nfs/dbraw/zinc/29/06/82/170290682.db2.gz CQAYGQMIANEPTN-UHFFFAOYSA-N 0 0 207.185 2.111 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)cn1C ZINC000095756712 170291524 /nfs/dbraw/zinc/29/15/24/170291524.db2.gz NEJCJPHEKFJLKR-UHFFFAOYSA-N 0 0 221.178 2.221 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(N)c1F ZINC000062350290 170292231 /nfs/dbraw/zinc/29/22/31/170292231.db2.gz GYHYGJQLCVVBSE-UHFFFAOYSA-N 0 0 217.627 2.238 10 0 BEAERN CCOC(=O)c1cc2cc[nH]c2nc1OCC ZINC000095937304 170294070 /nfs/dbraw/zinc/29/40/70/170294070.db2.gz SJEUTYKFIRKACF-UHFFFAOYSA-N 0 0 234.255 2.138 10 0 BEAERN CCOC(=O)c1ccc(-c2cnc(N)o2)cc1 ZINC000299890040 170294690 /nfs/dbraw/zinc/29/46/90/170294690.db2.gz SRSLKZGDIUNSHP-UHFFFAOYSA-N 0 0 232.239 2.101 10 0 BEAERN CCOC(=O)c1cc2sc(C=O)cc2[nH]1 ZINC000082290987 170294711 /nfs/dbraw/zinc/29/47/11/170294711.db2.gz SOZSZCRBLCHJLB-UHFFFAOYSA-N 0 0 223.253 2.219 10 0 BEAERN CCOC(=O)c1ccc(C(F)(F)F)o1 ZINC000238262149 170295529 /nfs/dbraw/zinc/29/55/29/170295529.db2.gz CEGYEMLSRUUNGM-UHFFFAOYSA-N 0 0 208.135 2.475 10 0 BEAERN CCOC(=O)c1ccc(OCC(C)C)c(N)c1 ZINC000036225756 170296881 /nfs/dbraw/zinc/29/68/81/170296881.db2.gz AAUPSBNGVNGCBF-UHFFFAOYSA-N 0 0 237.299 2.480 10 0 BEAERN CCOC(=O)c1ccc([C@H](N)C(F)(F)F)o1 ZINC000079036638 170297770 /nfs/dbraw/zinc/29/77/70/170297770.db2.gz GHTHTECXLLWAKQ-ZETCQYMHSA-N 0 0 237.177 2.018 10 0 BEAERN CCOC(=O)c1ccc2[nH]c(=S)[nH]c2c1 ZINC000010157925 170298114 /nfs/dbraw/zinc/29/81/14/170298114.db2.gz BIIIXELDRBGRHL-UHFFFAOYSA-N 0 0 222.269 2.402 10 0 BEAERN CCOC(=O)c1ccc2cnn(CC)c2c1 ZINC000079065483 170298759 /nfs/dbraw/zinc/29/87/59/170298759.db2.gz GZKOYEWYCORFGQ-UHFFFAOYSA-N 0 0 218.256 2.233 10 0 BEAERN CCOC(=O)c1ccn2c(Cl)cnc2c1 ZINC000089202056 170300679 /nfs/dbraw/zinc/30/06/79/170300679.db2.gz VQZLBUKQHISTRI-UHFFFAOYSA-N 0 0 224.647 2.164 10 0 BEAERN CCOC(=O)c1cnc(CC)nc1C1CC1 ZINC000008700224 170301350 /nfs/dbraw/zinc/30/13/50/170301350.db2.gz PTMIGKVVZAPWBA-UHFFFAOYSA-N 0 0 220.272 2.093 10 0 BEAERN CCOC(=O)c1cnn(C2CC2)c1C(F)(F)F ZINC000075892583 170303467 /nfs/dbraw/zinc/30/34/67/170303467.db2.gz PJAPLCMNQIZCCT-UHFFFAOYSA-N 0 0 248.204 2.414 10 0 BEAERN CCOC(=O)c1n[nH]c2cccc(C)c21 ZINC000089196317 170306236 /nfs/dbraw/zinc/30/62/36/170306236.db2.gz PQIVEUXWVJSVHW-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1nc2sccn2c1CC ZINC000039102521 170308245 /nfs/dbraw/zinc/30/82/45/170308245.db2.gz FVJXDCDCYKKXCD-UHFFFAOYSA-N 0 0 224.285 2.135 10 0 BEAERN CCOC(=O)c1nn(C(C)(C)C)cc1CC ZINC000039102503 170308437 /nfs/dbraw/zinc/30/84/37/170308437.db2.gz MDVRVCJMGWHSIV-UHFFFAOYSA-N 0 0 224.304 2.377 10 0 BEAERN CCOC(=O)c1noc(-c2ccc(CC)cc2)n1 ZINC000103920253 170309843 /nfs/dbraw/zinc/30/98/43/170309843.db2.gz UYVFUYATOIBNIO-UHFFFAOYSA-N 0 0 246.266 2.476 10 0 BEAERN CCOC(=O)c1nssc1=S ZINC000040874900 170309975 /nfs/dbraw/zinc/30/99/75/170309975.db2.gz KUVFKPKHIHEXNX-UHFFFAOYSA-N 0 0 207.301 2.111 10 0 BEAERN CCOC(=O)c1oc2c(c1C)[C@@H](O)CCC2 ZINC000026438428 170310012 /nfs/dbraw/zinc/31/00/12/170310012.db2.gz AVIAAIRRUOSWQT-QMMMGPOBSA-N 0 0 224.256 2.134 10 0 BEAERN CCOC(=O)c1sc2ncc(N)cc2c1C ZINC000082302321 170310527 /nfs/dbraw/zinc/31/05/27/170310527.db2.gz DGMHVQSTAAAUEQ-UHFFFAOYSA-N 0 0 236.296 2.364 10 0 BEAERN CCOC(=O)c1oc2nc(C)cc(C)c2c1N ZINC000043220526 170311108 /nfs/dbraw/zinc/31/11/08/170311108.db2.gz BBJFAUHIRJQKSK-UHFFFAOYSA-N 0 0 234.255 2.204 10 0 BEAERN CCOC1CC(Nc2cnccc2C)C1 ZINC000163724024 170330471 /nfs/dbraw/zinc/33/04/71/170330471.db2.gz JGYLAGSXIDVAPA-UHFFFAOYSA-N 0 0 206.289 2.369 10 0 BEAERN CCOCCC(=O)Nc1ccc([C@H](C)O)cc1 ZINC000053733564 170362816 /nfs/dbraw/zinc/36/28/16/170362816.db2.gz OVESJGWWKUHWLH-JTQLQIEISA-N 0 0 237.299 2.105 10 0 BEAERN CCOCCC(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000053733562 170362860 /nfs/dbraw/zinc/36/28/60/170362860.db2.gz OVESJGWWKUHWLH-SNVBAGLBSA-N 0 0 237.299 2.105 10 0 BEAERN CCOCCC(=O)Nc1ccc(N)cc1Cl ZINC000022161391 170362940 /nfs/dbraw/zinc/36/29/40/170362940.db2.gz FYBRFBODCVYVQF-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN CCOCCCCNC(=O)N[C@H](C)C(C)C ZINC000119720907 170368524 /nfs/dbraw/zinc/36/85/24/170368524.db2.gz FPAZSKQMYULINF-LLVKDONJSA-N 0 0 230.352 2.147 10 0 BEAERN CCOCCCNc1nncc2ccccc21 ZINC000035121080 170384148 /nfs/dbraw/zinc/38/41/48/170384148.db2.gz DLNABMDMGUPHPX-UHFFFAOYSA-N 0 0 231.299 2.468 10 0 BEAERN CCN1C[C@H](Nc2cc[nH]n2)Cc2ccccc21 ZINC000616672236 411639855 /nfs/dbraw/zinc/63/98/55/411639855.db2.gz YJOWJALOWLCPAE-GFCCVEGCSA-N 0 0 242.326 2.273 10 0 BEAERN CCCc1nccnc1NCCCn1cccn1 ZINC000663384217 411644427 /nfs/dbraw/zinc/64/44/27/411644427.db2.gz PSORJCMEVTXIRH-UHFFFAOYSA-N 0 0 245.330 2.128 10 0 BEAERN CCOC[C@H](C)Nc1cc(C(C)C)ncn1 ZINC000044725906 170447856 /nfs/dbraw/zinc/44/78/56/170447856.db2.gz MTLZEKXMYCVPCD-JTQLQIEISA-N 0 0 223.320 2.437 10 0 BEAERN CCO[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019262218 170500768 /nfs/dbraw/zinc/50/07/68/170500768.db2.gz MUIVDRKKADQNQM-SSDOTTSWSA-N 0 0 242.706 2.286 10 0 BEAERN CCO[C@H]1Cc2c(cc(C)c(O)c2C)O1 ZINC000039099610 170512216 /nfs/dbraw/zinc/51/22/16/170512216.db2.gz ODDHHKRJOUZEFL-LLVKDONJSA-N 0 0 208.257 2.307 10 0 BEAERN CCOc1c(C=O)c(=O)oc2ccccc21 ZINC000039100362 170513727 /nfs/dbraw/zinc/51/37/27/170513727.db2.gz SHRPMZMGBHUXJR-UHFFFAOYSA-N 0 0 218.208 2.004 10 0 BEAERN CCOc1cc(=O)onc1-c1ccccc1 ZINC000039100297 170516347 /nfs/dbraw/zinc/51/63/47/170516347.db2.gz WXXBMLHHECKNHN-UHFFFAOYSA-N 0 0 217.224 2.101 10 0 BEAERN CCOc1ccc(C2=NC(C)(C)CO2)cn1 ZINC000039098856 170540734 /nfs/dbraw/zinc/54/07/34/170540734.db2.gz GZQRAXZWLLOCGH-UHFFFAOYSA-N 0 0 220.272 2.036 10 0 BEAERN CCOc1ccc(N[C@H]2CCC[C@@H]2O)cc1 ZINC000037689659 170553457 /nfs/dbraw/zinc/55/34/57/170553457.db2.gz VMYGJADNAIAXNH-STQMWFEESA-N 0 0 221.300 2.411 10 0 BEAERN CCOc1ccc(OC(=O)[C@H](C)COC)cc1 ZINC000103358231 170555484 /nfs/dbraw/zinc/55/54/84/170555484.db2.gz KLJWPILTIMJQFM-SNVBAGLBSA-N 0 0 238.283 2.273 10 0 BEAERN c1cc(N[C@H]2CCNc3ccccc32)n[nH]1 ZINC000616673386 411701230 /nfs/dbraw/zinc/70/12/30/411701230.db2.gz BBYMYJBOLWMDPJ-NSHDSACASA-N 0 0 214.272 2.379 10 0 BEAERN c1cc(N[C@@H]2CCNc3ccccc32)n[nH]1 ZINC000616674206 411702829 /nfs/dbraw/zinc/70/28/29/411702829.db2.gz BBYMYJBOLWMDPJ-LLVKDONJSA-N 0 0 214.272 2.379 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCO[C@H]1C ZINC000663756586 411740051 /nfs/dbraw/zinc/74/00/51/411740051.db2.gz LAKKTJICIQLTLS-VHSXEESVSA-N 0 0 221.304 2.018 10 0 BEAERN CCCc1nccnc1N[C@@H](C)C[C@@H](C)O ZINC000663789341 411747550 /nfs/dbraw/zinc/74/75/50/411747550.db2.gz KDCCHWTYSWBROY-VHSXEESVSA-N 0 0 223.320 2.000 10 0 BEAERN CCOc1nc(N(C)[C@H](C)C2CC2)ccc1N ZINC000036783302 170602868 /nfs/dbraw/zinc/60/28/68/170602868.db2.gz HERYHSAXYAPZTP-SECBINFHSA-N 0 0 235.331 2.297 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CC[C@@H](O)C1 ZINC000663840202 411758305 /nfs/dbraw/zinc/75/83/05/411758305.db2.gz OFPIIURQTHBRQV-GHMZBOCLSA-N 0 0 235.331 2.002 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124328651 170677511 /nfs/dbraw/zinc/67/75/11/170677511.db2.gz MXTSIPOTCMMDJN-LLVKDONJSA-N 0 0 249.358 2.172 10 0 BEAERN CC[C@@H](C)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123130393 170678297 /nfs/dbraw/zinc/67/82/97/170678297.db2.gz TYIUGSOWGZTHOZ-YPMHNXCESA-N 0 0 248.326 2.107 10 0 BEAERN CC[C@@H](C)CC(=O)O[C@@H]1CCOC[C@@H]1C ZINC000084403460 170689318 /nfs/dbraw/zinc/68/93/18/170689318.db2.gz JVRAEWPKJKTBPW-OUAUKWLOSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1nn(Cc2c(F)cccc2F)c(C)c1N ZINC000133573087 411831122 /nfs/dbraw/zinc/83/11/22/411831122.db2.gz VWJPCTXBYHTBFE-UHFFFAOYSA-N 0 0 237.253 2.409 10 0 BEAERN CCCc1nccnc1N[C@@H]1CO[C@@H](C)C1 ZINC000664056113 411832190 /nfs/dbraw/zinc/83/21/90/411832190.db2.gz SUDQCVYGQYFQCF-UWVGGRQHSA-N 0 0 221.304 2.018 10 0 BEAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000038066172 170756107 /nfs/dbraw/zinc/75/61/07/170756107.db2.gz HNPVTCNPHFWKTL-BXKDBHETSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@@H](C)Sc1ccc(C(N)=O)cc1N ZINC000035332206 170768026 /nfs/dbraw/zinc/76/80/26/170768026.db2.gz ALJKCAKJSDGCMO-SSDOTTSWSA-N 0 0 224.329 2.258 10 0 BEAERN CC[C@@H](C)[S@](=O)Cc1cccc(N)c1 ZINC000042372878 170802162 /nfs/dbraw/zinc/80/21/62/170802162.db2.gz IIQXTIHAMFFRFF-OTYXRUKQSA-N 0 0 211.330 2.316 10 0 BEAERN Cc1ccccc1Nc1cn(C)nc1N ZINC000536950612 411931965 /nfs/dbraw/zinc/93/19/65/411931965.db2.gz PZNQSFBFYPHPSO-UHFFFAOYSA-N 0 0 202.261 2.054 10 0 BEAERN CCCc1nccnc1NCC1CCC(O)CC1 ZINC000664528517 411978740 /nfs/dbraw/zinc/97/87/40/411978740.db2.gz MFILFJLPDAYDEP-UHFFFAOYSA-N 0 0 249.358 2.392 10 0 BEAERN CC(C)c1nccnc1N1C[C@@H](C)[C@](C)(CO)C1 ZINC000664594795 411994243 /nfs/dbraw/zinc/99/42/43/411994243.db2.gz CNWGJDBEJSMLFL-RISCZKNCSA-N 0 0 249.358 2.055 10 0 BEAERN CO[C@@]1(C)C[C@H]1Nc1nccnc1C(C)C ZINC000664602175 411995574 /nfs/dbraw/zinc/99/55/74/411995574.db2.gz GUBZDIXGOHCMMF-SKDRFNHKSA-N 0 0 221.304 2.189 10 0 BEAERN OCC1CC(Nc2cccc(C(F)(F)F)n2)C1 ZINC000664648729 412006182 /nfs/dbraw/zinc/00/61/82/412006182.db2.gz JNYHDGVPALXQHU-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CC[C@@H](O)c1c(C)nn(CCOC(C)C)c1C ZINC000054723897 170938616 /nfs/dbraw/zinc/93/86/16/170938616.db2.gz UFFUAWNVTRHRLK-GFCCVEGCSA-N 0 0 240.347 2.368 10 0 BEAERN CC[C@@H](O)c1ccccc1OCc1ncon1 ZINC000035625854 170938889 /nfs/dbraw/zinc/93/88/89/170938889.db2.gz SJFWWPPHJSYUHX-SNVBAGLBSA-N 0 0 234.255 2.092 10 0 BEAERN CC[C@@H](SC)C(=O)N[C@H](C)C(C)C ZINC000124542408 170949194 /nfs/dbraw/zinc/94/91/94/170949194.db2.gz QDPFQGYQNNBANG-RKDXNWHRSA-N 0 0 203.351 2.289 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000121667986 170961396 /nfs/dbraw/zinc/96/13/96/170961396.db2.gz OUUQKUILBTYTCR-QJPTWQEYSA-N 0 0 225.332 2.345 10 0 BEAERN CC[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000127488118 171008926 /nfs/dbraw/zinc/00/89/26/171008926.db2.gz VYSYXLAMHZKNLE-LLVKDONJSA-N 0 0 247.342 2.092 10 0 BEAERN CC[C@@H]1CN(CC)C(=S)N1C(C)(C)C ZINC000034583647 171076288 /nfs/dbraw/zinc/07/62/88/171076288.db2.gz VQHLJGMISHHVEF-SECBINFHSA-N 0 0 214.378 2.486 10 0 BEAERN CC[C@@](C(=O)[O-])(c1ccc(C)cc1)[NH+](C)C ZINC000037357759 171162123 /nfs/dbraw/zinc/16/21/23/171162123.db2.gz FMYRLCHICGITSF-ZDUSSCGKSA-N 0 0 221.300 2.247 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(CC2CCCC2)n1 ZINC000041052981 171172672 /nfs/dbraw/zinc/17/26/72/171172672.db2.gz ARLHDBNVMGGYKF-GFCCVEGCSA-N 0 0 223.320 2.386 10 0 BEAERN CC[C@@](C)(O)C[NH2+][C@H](COC)c1ccccc1 ZINC000233980817 171186206 /nfs/dbraw/zinc/18/62/06/171186206.db2.gz CMWYILDKMXCIRW-ZIAGYGMSSA-N 0 0 237.343 2.125 10 0 BEAERN CC[C@H](C)C(=O)N(C)c1cccc(N)c1 ZINC000041022008 171247507 /nfs/dbraw/zinc/24/75/07/171247507.db2.gz AIKQRYJAGUACIE-VIFPVBQESA-N 0 0 206.289 2.278 10 0 BEAERN CC[C@H](C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000097428658 171249292 /nfs/dbraw/zinc/24/92/92/171249292.db2.gz FMUDOKYUBAHSKT-SRVKXCTJSA-N 0 0 225.332 2.203 10 0 BEAERN CC[C@H](C)C(=O)c1c(O)cc(O)c(C)c1O ZINC000014593823 171256345 /nfs/dbraw/zinc/25/63/45/171256345.db2.gz XGJQNJPFHJCFDN-LURJTMIESA-N 0 0 224.256 2.341 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(N)c(F)c1 ZINC000054466225 171283633 /nfs/dbraw/zinc/28/36/33/171283633.db2.gz VHWYUFBMDCMYEP-QMMMGPOBSA-N 0 0 224.279 2.184 10 0 BEAERN CC[C@H](C)NC(=O)[C@H](C)Nc1ccccc1 ZINC000020364745 171334904 /nfs/dbraw/zinc/33/49/04/171334904.db2.gz HALLJFOJXQCMBW-QWRGUYRKSA-N 0 0 220.316 2.402 10 0 BEAERN CC[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117559620 171335572 /nfs/dbraw/zinc/33/55/72/171335572.db2.gz QSOZMTYSAFHANX-CWSCBRNRSA-N 0 0 233.311 2.466 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(N)c(C)s1 ZINC000040292267 171336370 /nfs/dbraw/zinc/33/63/70/171336370.db2.gz GYUKUYYGFVQFPT-LURJTMIESA-N 0 0 212.318 2.167 10 0 BEAERN CC[C@H](C)Nc1cc2c(cc1N)OCCO2 ZINC000020381529 171349459 /nfs/dbraw/zinc/34/94/59/171349459.db2.gz UIQSDDFYKHLOFU-QMMMGPOBSA-N 0 0 222.288 2.250 10 0 BEAERN CC[C@H](C)Nc1cccc(NC(N)=O)c1 ZINC000037135923 171350024 /nfs/dbraw/zinc/35/00/24/171350024.db2.gz IESSZVACXSQAKC-QMMMGPOBSA-N 0 0 207.277 2.388 10 0 BEAERN CC[C@H](C)Nc1ccccc1-n1ccnn1 ZINC000036933643 171350839 /nfs/dbraw/zinc/35/08/39/171350839.db2.gz QYRSBMUINYUYCL-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)OC(=O)c1cc(N)ccc1F ZINC000048265699 171351094 /nfs/dbraw/zinc/35/10/94/171351094.db2.gz CKCSVEYEYQIXOV-ZETCQYMHSA-N 0 0 211.236 2.363 10 0 BEAERN CC[C@H](C)OCc1cc2c(cc1N)OCCO2 ZINC000048263958 171355675 /nfs/dbraw/zinc/35/56/75/171355675.db2.gz STCCLXRQIKGAKZ-VIFPVBQESA-N 0 0 237.299 2.355 10 0 BEAERN CC[C@H](C)Sc1cc2nc[nH]c(=O)c2cc1N ZINC000035383489 171356969 /nfs/dbraw/zinc/35/69/69/171356969.db2.gz GIZKTROTPJCNGH-ZETCQYMHSA-N 0 0 249.339 2.396 10 0 BEAERN CC[C@H](C)[C@@H](C)N1C(=O)c2ccc(N)cc2C1=O ZINC000042556838 171361934 /nfs/dbraw/zinc/36/19/34/171361934.db2.gz NDVUMAWMFQNXNX-DTWKUNHWSA-N 0 0 246.310 2.299 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1cc(N)cc(N)c1 ZINC000042551096 171364033 /nfs/dbraw/zinc/36/40/33/171364033.db2.gz OWPATMYNZOSFEZ-DTWKUNHWSA-N 0 0 235.331 2.015 10 0 BEAERN CC[C@H](C)[C@@H](C)Nc1nccnc1N(C)C ZINC000302189310 171367769 /nfs/dbraw/zinc/36/77/69/171367769.db2.gz KDNKHUFKCDAEQN-VHSXEESVSA-N 0 0 222.336 2.389 10 0 BEAERN CC[C@H](C)[C@@H](O)CNc1ccnc(C2CC2)n1 ZINC000112334248 171378015 /nfs/dbraw/zinc/37/80/15/171378015.db2.gz WNKYJGRBWSJRJU-ONGXEEELSA-N 0 0 235.331 2.173 10 0 BEAERN CC[C@H](C)[C@H](N)c1nc(-c2ccc(O)cc2)no1 ZINC000021034904 171397426 /nfs/dbraw/zinc/39/74/26/171397426.db2.gz WVSHYYSMJOIVBZ-KWQFWETISA-N 0 0 247.298 2.488 10 0 BEAERN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(N)=S ZINC000044670714 171398586 /nfs/dbraw/zinc/39/85/86/171398586.db2.gz DZKNXFVGIGBCNJ-YUMQZZPRSA-N 0 0 246.376 2.212 10 0 BEAERN CC(C)(C)c1ccccc1C(=O)NC1COC1 ZINC000132768012 412267579 /nfs/dbraw/zinc/26/75/79/412267579.db2.gz NSRWVTXJFJJAGX-UHFFFAOYSA-N 0 0 233.311 2.113 10 0 BEAERN CC[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1N ZINC000050710202 171609172 /nfs/dbraw/zinc/60/91/72/171609172.db2.gz IDXKBJGJFSJSFS-JQWIXIFHSA-N 0 0 247.342 2.362 10 0 BEAERN CC[C@H]1Nc2cc(C)c(C)cc2NC1=O ZINC000039100915 171683342 /nfs/dbraw/zinc/68/33/42/171683342.db2.gz ATSVGONHDLRFKY-SECBINFHSA-N 0 0 204.273 2.446 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1ncccc1N ZINC000132878373 412337286 /nfs/dbraw/zinc/33/72/86/412337286.db2.gz JNVNGTZDUTZAGR-NSHDSACASA-N 0 0 247.342 2.459 10 0 BEAERN CCc1c(C)nc(-n2nc(C)cc2C)[nH]c1=S ZINC000045956353 171740746 /nfs/dbraw/zinc/74/07/46/171740746.db2.gz HUEYSMCYOLXHSL-UHFFFAOYSA-N 0 0 248.355 2.439 10 0 BEAERN CCc1c(Cl)ncnc1N[C@@H]1CCO[C@@H]1C ZINC000134584347 171744475 /nfs/dbraw/zinc/74/44/75/171744475.db2.gz MUZOEDMMLABKSS-VXNVDRBHSA-N 0 0 241.722 2.282 10 0 BEAERN CCCC(CCC)C(=O)NCC1CC(O)C1 ZINC000132956357 412376387 /nfs/dbraw/zinc/37/63/87/412376387.db2.gz SQURZOOBBWKQNJ-UHFFFAOYSA-N 0 0 227.348 2.090 10 0 BEAERN CCc1cc(CC)nc(N[C@H]2C[C@@H]2C)n1 ZINC000336716057 171758894 /nfs/dbraw/zinc/75/88/94/171758894.db2.gz WYLBWOHFMSHZLC-KWQFWETISA-N 0 0 205.305 2.422 10 0 BEAERN CCc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C)cc1 ZINC000296290851 171784232 /nfs/dbraw/zinc/78/42/32/171784232.db2.gz ZHACVPDRQJJLAH-RISCZKNCSA-N 0 0 247.338 2.234 10 0 BEAERN CCc1ccc(C(=O)c2cncnc2)cc1 ZINC000045028833 171788513 /nfs/dbraw/zinc/78/85/13/171788513.db2.gz XWWDPNZZKZHQAN-UHFFFAOYSA-N 0 0 212.252 2.270 10 0 BEAERN CCc1ccc(NC(=O)C2CC2)cc1N ZINC000020343036 171817596 /nfs/dbraw/zinc/81/75/96/171817596.db2.gz RFZLARIMKKTCGD-UHFFFAOYSA-N 0 0 204.273 2.180 10 0 BEAERN CCc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1N ZINC000036742759 171819532 /nfs/dbraw/zinc/81/95/32/171819532.db2.gz NNUZURHOLWZPOQ-GZMMTYOYSA-N 0 0 218.300 2.426 10 0 BEAERN CCc1ccc([C@@H]2CCCCN2C(N)=O)o1 ZINC000173761113 171836535 /nfs/dbraw/zinc/83/65/35/171836535.db2.gz HCYGJUAKTQIRRM-JTQLQIEISA-N 0 0 222.288 2.448 10 0 BEAERN CCc1ccccc1Cn1nccc1N ZINC000052203265 171883370 /nfs/dbraw/zinc/88/33/70/171883370.db2.gz SCOAOGJLTQNSQI-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN CCc1nc(-c2ccccc2F)[nH]c(=O)c1C ZINC000045950201 171939554 /nfs/dbraw/zinc/93/95/54/171939554.db2.gz ADQSNOVJHVGSEZ-UHFFFAOYSA-N 0 0 232.258 2.447 10 0 BEAERN CCc1nc2c(ccnc2C(=O)OC)s1 ZINC000089229218 172009261 /nfs/dbraw/zinc/00/92/61/172009261.db2.gz ZSRUSCPBIPIFTN-UHFFFAOYSA-N 0 0 222.269 2.040 10 0 BEAERN CCc1ncc(-c2ccccc2F)c(N)n1 ZINC000061675420 172015052 /nfs/dbraw/zinc/01/50/52/172015052.db2.gz SNWDKPCRDXOYPI-UHFFFAOYSA-N 0 0 217.247 2.427 10 0 BEAERN CCc1nccn1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052593310 172028260 /nfs/dbraw/zinc/02/82/60/172028260.db2.gz JZWYCGKXTQBVKE-UHFFFAOYSA-N 0 0 233.315 2.115 10 0 BEAERN CCc1nn(C)c(N)c1-c1cccc(F)c1 ZINC000026511752 172039500 /nfs/dbraw/zinc/03/95/00/172039500.db2.gz QCZNFVVAEPASPL-UHFFFAOYSA-N 0 0 219.263 2.371 10 0 BEAERN CCc1nn(C)cc1N[C@H]1CCCSC1 ZINC000134823862 172044622 /nfs/dbraw/zinc/04/46/22/172044622.db2.gz YFHHIVTYXJBYFN-VIFPVBQESA-N 0 0 225.361 2.290 10 0 BEAERN CCc1noc(-c2cc(N)cc(C)c2C)n1 ZINC000062349346 172071157 /nfs/dbraw/zinc/07/11/57/172071157.db2.gz PNXWWTLZLSJMGX-UHFFFAOYSA-N 0 0 217.272 2.498 10 0 BEAERN CCc1noc(C)c1NC(=O)CCOC(C)C ZINC000132881602 172082038 /nfs/dbraw/zinc/08/20/38/172082038.db2.gz VUFBMCUADKWAID-UHFFFAOYSA-N 0 0 240.303 2.299 10 0 BEAERN CCc1oc(C(=O)NCC(F)F)cc1C ZINC000121172780 172109729 /nfs/dbraw/zinc/10/97/29/172109729.db2.gz MVUHWVMHFJREFE-UHFFFAOYSA-N 0 0 217.215 2.145 10 0 BEAERN CCc1oc(C(=O)Nc2cc(C)nn2C)cc1C ZINC000121180733 172111624 /nfs/dbraw/zinc/11/16/24/172111624.db2.gz OPXRNWQMKCHNCO-UHFFFAOYSA-N 0 0 247.298 2.445 10 0 BEAERN CCc1sc(C)nc1Cc1c[nH]cn1 ZINC000013802728 172129216 /nfs/dbraw/zinc/12/92/16/172129216.db2.gz BOJDKCWPTLYPDI-UHFFFAOYSA-N 0 0 207.302 2.328 10 0 BEAERN CCn1c(C)cc(C(=O)n2ccnc2)c1C ZINC000073711855 172135552 /nfs/dbraw/zinc/13/55/52/172135552.db2.gz JBFXQBVNQUCWES-UHFFFAOYSA-N 0 0 217.272 2.010 10 0 BEAERN CCn1c(C)cc(C(=O)N[C@H]2C[C@H]2C)c1C ZINC000075522350 172135634 /nfs/dbraw/zinc/13/56/34/172135634.db2.gz DQDRFPKPIJODPI-PELKAZGASA-N 0 0 220.316 2.263 10 0 BEAERN CCn1c(C)nnc1-c1cc(C)cc(C)c1N ZINC000062825948 172139625 /nfs/dbraw/zinc/13/96/25/172139625.db2.gz XTUBIZIMUJBKSR-UHFFFAOYSA-N 0 0 230.315 2.472 10 0 BEAERN CCn1c(C)nnc1COc1ccc(F)cc1 ZINC000194654990 172140621 /nfs/dbraw/zinc/14/06/21/172140621.db2.gz RBVOXFCEBSWETI-UHFFFAOYSA-N 0 0 235.262 2.325 10 0 BEAERN CCn1c(C)nnc1COc1ccccc1OC ZINC000194655585 172141243 /nfs/dbraw/zinc/14/12/43/172141243.db2.gz DEIQMGOCUAIHDZ-UHFFFAOYSA-N 0 0 247.298 2.194 10 0 BEAERN CCn1c2cc(C)c(C)cc2nc1CO ZINC000040308822 172144171 /nfs/dbraw/zinc/14/41/71/172144171.db2.gz VMNCKKVEOUQGAB-UHFFFAOYSA-N 0 0 204.273 2.165 10 0 BEAERN CCn1cc(C[C@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000050543736 172176642 /nfs/dbraw/zinc/17/66/42/172176642.db2.gz NUQKKONVJUFFIB-ZFWWWQNUSA-N 0 0 242.322 2.351 10 0 BEAERN CCn1cc(C[C@]2(O)CCc3ccccc32)cn1 ZINC000050541414 172177488 /nfs/dbraw/zinc/17/74/88/172177488.db2.gz CEYLNYPYLASGFQ-OAHLLOKOSA-N 0 0 242.322 2.280 10 0 BEAERN CCn1cc(N2Cc3ccccc3C2=N)cn1 ZINC000035781323 172178938 /nfs/dbraw/zinc/17/89/38/172178938.db2.gz ZITJCMYEIVWGAW-UHFFFAOYSA-N 0 0 226.283 2.249 10 0 BEAERN CCn1cc(NC(=O)c2c(C)cccc2N)cn1 ZINC000035779626 172184414 /nfs/dbraw/zinc/18/44/14/172184414.db2.gz GTFBBLLPKGKSKH-UHFFFAOYSA-N 0 0 244.298 2.046 10 0 BEAERN CCn1cc(N[C@@H](C)c2cccnc2)ccc1=O ZINC000037773779 172186206 /nfs/dbraw/zinc/18/62/06/172186206.db2.gz RSXVYWOFDNDOSQ-NSHDSACASA-N 0 0 243.310 2.436 10 0 BEAERN CCn1cccc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000294930509 172208787 /nfs/dbraw/zinc/20/87/87/172208787.db2.gz BFRJSVMXDODKNC-LLVKDONJSA-N 0 0 232.331 2.092 10 0 BEAERN CCn1ccnc(N[C@H]2CCC[C@@H](C)[C@@H]2C)c1=O ZINC000061762239 172213764 /nfs/dbraw/zinc/21/37/64/172213764.db2.gz MOMVPDNPORUELD-WOPDTQHZSA-N 0 0 249.358 2.500 10 0 BEAERN CCn1ccnc1C(=O)c1cc(C)ccc1OC ZINC000052943981 172217809 /nfs/dbraw/zinc/21/78/09/172217809.db2.gz KOTPQYVPQJWDSU-UHFFFAOYSA-N 0 0 244.294 2.451 10 0 BEAERN CCn1ccnc1CN[C@@H](C)c1ccncc1 ZINC000051921006 172223674 /nfs/dbraw/zinc/22/36/74/172223674.db2.gz FLZHHYZLBQQCSH-NSHDSACASA-N 0 0 230.315 2.149 10 0 BEAERN CCn1ccnc1[C@@H]1COc2ccccc2O1 ZINC000013805921 172229615 /nfs/dbraw/zinc/22/96/15/172229615.db2.gz BLZOWUNQHKBMTA-LBPRGKRZSA-N 0 0 230.267 2.416 10 0 BEAERN CCn1ccnc1[C@H](N)c1cccs1 ZINC000011735212 172229617 /nfs/dbraw/zinc/22/96/17/172229617.db2.gz GUSIQWJPTHTQOF-SECBINFHSA-N 0 0 207.302 2.013 10 0 BEAERN CCn1cnc2cc(Br)cc(N)c21 ZINC000082327988 172231133 /nfs/dbraw/zinc/23/11/33/172231133.db2.gz PJZNJFZPIYVHJA-UHFFFAOYSA-N 0 0 240.104 2.401 10 0 BEAERN CCn1nc(C)c(-c2ccnc(NC)n2)c1C ZINC000020540662 172242838 /nfs/dbraw/zinc/24/28/38/172242838.db2.gz QPNWQQFGVKVVHD-UHFFFAOYSA-N 0 0 231.303 2.019 10 0 BEAERN CCn1nc(C)c(NCc2cc[nH]c2)c1C ZINC000125279480 172248257 /nfs/dbraw/zinc/24/82/57/172248257.db2.gz DTRNGBKOXPXBEC-UHFFFAOYSA-N 0 0 218.304 2.460 10 0 BEAERN CCn1nccc1[C@@H](C)NCc1ccco1 ZINC000020351430 172277378 /nfs/dbraw/zinc/27/73/78/172277378.db2.gz QENLAHQGZFDTEH-SNVBAGLBSA-N 0 0 219.288 2.347 10 0 BEAERN CN(C(=O)C(C)(C)C)c1cccc(N)c1 ZINC000041021837 172294998 /nfs/dbraw/zinc/29/49/98/172294998.db2.gz OOQMULSCFPVWCM-UHFFFAOYSA-N 0 0 206.289 2.278 10 0 BEAERN CN(C(=O)c1cc(N)ccc1F)C1CCCC1 ZINC000035651517 172337778 /nfs/dbraw/zinc/33/77/78/172337778.db2.gz LCKJGARYVUTVIP-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN CN(C)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114435203 172377142 /nfs/dbraw/zinc/37/71/42/172377142.db2.gz MCPCTOMYMWSFQO-CYBMUJFWSA-N 0 0 222.332 2.490 10 0 BEAERN CN(C)C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000038652741 172380761 /nfs/dbraw/zinc/38/07/61/172380761.db2.gz YGLMVCVJLXREAK-RMPHRYRLSA-N 0 0 222.332 2.082 10 0 in-vitro BEAERN CN(C)C(=O)Oc1cccc2[nH]ccc21 ZINC000139391871 172382769 /nfs/dbraw/zinc/38/27/69/172382769.db2.gz CYSRRGLFJKNFHB-UHFFFAOYSA-N 0 0 204.229 2.228 10 0 BEAERN CN(C)C(=O)c1cc(O)ccc1C(C)(C)C ZINC000095711465 172388150 /nfs/dbraw/zinc/38/81/50/172388150.db2.gz FHUQGQQAACUIRF-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1ccc(-c2ncccc2O)cc1 ZINC000065339471 172388353 /nfs/dbraw/zinc/38/83/53/172388353.db2.gz WXHFZEBOSVWJQI-UHFFFAOYSA-N 0 0 242.278 2.156 10 0 BEAERN CN(C)C(=O)c1cc(OC2CC2)ccc1F ZINC000095723999 172389077 /nfs/dbraw/zinc/38/90/77/172389077.db2.gz DWMUBQNLWGKORN-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)C(=O)c1cccc(NCc2ccc[nH]2)c1 ZINC000051788788 172391066 /nfs/dbraw/zinc/39/10/66/172391066.db2.gz SGKRBCXQKXWALR-UHFFFAOYSA-N 0 0 243.310 2.329 10 0 BEAERN CN(C)Cc1nc(-c2ccccc2N)cs1 ZINC000041046545 172505099 /nfs/dbraw/zinc/50/50/99/172505099.db2.gz SBAROMCJEDNEGZ-UHFFFAOYSA-N 0 0 233.340 2.454 10 0 BEAERN CN(CCc1ccncc1)c1cc(N)cc(F)c1 ZINC000048259344 172791749 /nfs/dbraw/zinc/79/17/49/172791749.db2.gz YXLOFNGGSZYBTG-UHFFFAOYSA-N 0 0 245.301 2.482 10 0 BEAERN CN(C[C@@H]1CCCCO1)c1cccc(N)c1 ZINC000042372980 172809083 /nfs/dbraw/zinc/80/90/83/172809083.db2.gz MXXDOWNFNGMEJZ-ZDUSSCGKSA-N 0 0 220.316 2.274 10 0 BEAERN CN(C[C@H]1CCCCO1)c1ccccc1N ZINC000048947445 172826853 /nfs/dbraw/zinc/82/68/53/172826853.db2.gz WSXWKQCNXMVGHM-LLVKDONJSA-N 0 0 220.316 2.274 10 0 BEAERN CN(C[C@H]1CCCO1)c1ccc(F)cc1N ZINC000042463680 172831179 /nfs/dbraw/zinc/83/11/79/172831179.db2.gz MZKPQTVJLPGPAS-SNVBAGLBSA-N 0 0 224.279 2.023 10 0 BEAERN CN(c1c(F)cc(N)cc1F)[C@@H]1CCSC1 ZINC000038040067 172945256 /nfs/dbraw/zinc/94/52/56/172945256.db2.gz SPXGUIYXEJLJIX-MRVPVSSYSA-N 0 0 244.310 2.489 10 0 BEAERN CN1C(=O)CC[C@H]2c3ccccc3CC[C@H]21 ZINC000040640502 172964219 /nfs/dbraw/zinc/96/42/19/172964219.db2.gz GREXNIICGIQJBG-QWHCGFSZSA-N 0 0 215.296 2.337 10 0 BEAERN CN1CCCC[C@@H](c2cccc(O)c2)C1=O ZINC000036405313 173004992 /nfs/dbraw/zinc/00/49/92/173004992.db2.gz IBNKFKLIUOMAQB-LBPRGKRZSA-N 0 0 219.284 2.118 10 0 BEAERN CN1CCO[C@@H]1c1ccc(Br)cc1 ZINC000049830862 173102169 /nfs/dbraw/zinc/10/21/69/173102169.db2.gz DNZUJZGVBGCUCN-SNVBAGLBSA-N 0 0 242.116 2.410 10 0 BEAERN CN1CCO[C@@H]1c1cccc(Br)c1 ZINC000033856839 173103527 /nfs/dbraw/zinc/10/35/27/173103527.db2.gz JFEADYOUTRCSKM-SNVBAGLBSA-N 0 0 242.116 2.410 10 0 BEAERN CN1CCc2c(c3cccc4c3n2CC4)C1 ZINC000039109239 173169607 /nfs/dbraw/zinc/16/96/07/173169607.db2.gz SHFZESGZEPUSRY-UHFFFAOYSA-N 0 0 212.296 2.185 10 0 BEAERN CN1CCc2cc(N)c(Br)cc21 ZINC000082359369 173170094 /nfs/dbraw/zinc/17/00/94/173170094.db2.gz XKEGHEIREKKACX-UHFFFAOYSA-N 0 0 227.105 2.024 10 0 BEAERN CN1CCc2ccc(Br)cc21 ZINC000039394805 173172278 /nfs/dbraw/zinc/17/22/78/173172278.db2.gz KXJIMNJESWOULY-UHFFFAOYSA-N 0 0 212.090 2.441 10 0 BEAERN CN1C[C@@H](c2noc(C3CCCCC3)n2)CC1=O ZINC000329642446 173187875 /nfs/dbraw/zinc/18/78/75/173187875.db2.gz CVNRIYHMXWMXKF-JTQLQIEISA-N 0 0 249.314 2.063 10 0 BEAERN CN1Cc2c(c3ccccc3nc2Cl)C1=O ZINC000021989658 173199613 /nfs/dbraw/zinc/19/96/13/173199613.db2.gz QWRVWXKDRVMYPE-UHFFFAOYSA-N 0 0 232.670 2.474 10 0 BEAERN CNC(=O)CNc1ccccc1SC(F)F ZINC000020044159 173278874 /nfs/dbraw/zinc/27/88/74/173278874.db2.gz LGOFRSOBUCFBMT-UHFFFAOYSA-N 0 0 246.282 2.159 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(Cl)cc1F ZINC000042212238 173295611 /nfs/dbraw/zinc/29/56/11/173295611.db2.gz DHGVFKFDVGPWAV-ZCFIWIBFSA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000020307734 173295645 /nfs/dbraw/zinc/29/56/45/173295645.db2.gz TVJCJMQHWGGPTJ-SSDOTTSWSA-N 0 0 246.232 2.252 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000020310187 173295713 /nfs/dbraw/zinc/29/57/13/173295713.db2.gz HBVWTJROJGJMAC-SNVBAGLBSA-N 0 0 220.316 2.356 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc2ccccc2c1 ZINC000035138177 173303898 /nfs/dbraw/zinc/30/38/98/173303898.db2.gz GYYBBYFOLKQOOC-JTQLQIEISA-N 0 0 228.295 2.386 10 0 BEAERN CNC(C)(C)C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000061172128 173319193 /nfs/dbraw/zinc/31/91/93/173319193.db2.gz WMWFMPFAMFQQKO-VHSXEESVSA-N 0 0 213.321 2.106 10 0 BEAERN C[NH2+]C1(C(=O)[O-])CCC(C(C)(C)C)CC1 ZINC000037180631 173321025 /nfs/dbraw/zinc/32/10/25/173321025.db2.gz HYKZVOIONIWJHT-UHFFFAOYSA-N 0 0 213.321 2.266 10 0 BEAERN CNC(C)(C)c1nc(CCc2ccccc2)no1 ZINC000061151419 173321206 /nfs/dbraw/zinc/32/12/06/173321206.db2.gz CXHJLZJDWSEEHG-UHFFFAOYSA-N 0 0 245.326 2.309 10 0 BEAERN CNC(C)(C)c1nc(Cc2ccccc2C)no1 ZINC000061151437 173321578 /nfs/dbraw/zinc/32/15/78/173321578.db2.gz SZOGJRYTLKZPBO-UHFFFAOYSA-N 0 0 245.326 2.423 10 0 BEAERN CNCc1noc(-c2c(C)cc(C)cc2C)n1 ZINC000051848543 173398422 /nfs/dbraw/zinc/39/84/22/173398422.db2.gz BCKAZMDTBJCPEZ-UHFFFAOYSA-N 0 0 231.299 2.381 10 0 BEAERN CNCc1noc(-c2ccc(C)c(C)c2)n1 ZINC000051848562 173398823 /nfs/dbraw/zinc/39/88/23/173398823.db2.gz CTQCXUAPJLINLY-UHFFFAOYSA-N 0 0 217.272 2.073 10 0 BEAERN CNc1c(F)cc(C(=O)N2CCCC2)cc1F ZINC000063004541 173471143 /nfs/dbraw/zinc/47/11/43/173471143.db2.gz BWIPPHXXHTXWHU-UHFFFAOYSA-N 0 0 240.253 2.243 10 0 BEAERN CNc1c(F)cccc1C(=O)N[C@H]1C[C@H]1C ZINC000054213194 173471269 /nfs/dbraw/zinc/47/12/69/173471269.db2.gz FBNCTPOEGLDUHF-XCBNKYQSSA-N 0 0 222.263 2.006 10 0 BEAERN CNc1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000036805650 173478384 /nfs/dbraw/zinc/47/83/84/173478384.db2.gz XLAIJOBXBTWWSK-UHFFFAOYSA-N 0 0 234.246 2.381 10 0 BEAERN CNc1ccc(O[C@@H]2CCC[C@@H]2O)cc1 ZINC000038057249 173480952 /nfs/dbraw/zinc/48/09/52/173480952.db2.gz UXIMKUBGRSGKNB-NWDGAFQWSA-N 0 0 207.273 2.021 10 0 BEAERN CNc1ccnc(COc2ccccc2)n1 ZINC000054438259 173483809 /nfs/dbraw/zinc/48/38/09/173483809.db2.gz HLUZWTBBIIORPN-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN CNc1nc(C(F)(F)F)c(C(C)=O)s1 ZINC000098179929 173485458 /nfs/dbraw/zinc/48/54/58/173485458.db2.gz FFCIZAUIKXCNQI-UHFFFAOYSA-N 0 0 224.207 2.406 10 0 BEAERN CNc1nc(Br)c(C)s1 ZINC000095830056 173485833 /nfs/dbraw/zinc/48/58/33/173485833.db2.gz XZFFHJBLPYZMAX-UHFFFAOYSA-N 0 0 207.096 2.256 10 0 BEAERN CNc1nc(COC)nc(C)c1C(C)C ZINC000061687372 173486575 /nfs/dbraw/zinc/48/65/75/173486575.db2.gz IJHJZVJXTVMIJP-UHFFFAOYSA-N 0 0 209.293 2.097 10 0 BEAERN COC(=O)C(Cl)(Cl)C1(O)CCCCC1 ZINC000062722739 173507401 /nfs/dbraw/zinc/50/74/01/173507401.db2.gz LBFMHNGNORGKEK-UHFFFAOYSA-N 0 0 241.114 2.029 10 0 BEAERN COC(=O)CCCOc1ccccc1[C@@H](C)O ZINC000035626740 173545001 /nfs/dbraw/zinc/54/50/01/173545001.db2.gz UWSVOSMGXNUNQB-SNVBAGLBSA-N 0 0 238.283 2.072 10 0 BEAERN COC(=O)CSc1ccc(F)c(F)c1 ZINC000036961412 173617160 /nfs/dbraw/zinc/61/71/60/173617160.db2.gz NTYZAYYEAIKSHZ-UHFFFAOYSA-N 0 0 218.224 2.230 10 0 BEAERN COC(=O)Cc1coc2cc(O)cc(C)c12 ZINC000098179200 173643378 /nfs/dbraw/zinc/64/33/78/173643378.db2.gz RTMUWEHIDUXSOB-UHFFFAOYSA-N 0 0 220.224 2.162 10 0 BEAERN COC(=O)Cc1coc2cc(OC)ccc12 ZINC000034611822 173643577 /nfs/dbraw/zinc/64/35/77/173643577.db2.gz MZBXLVCUIKWAJU-UHFFFAOYSA-N 0 0 220.224 2.157 10 0 BEAERN COC(=O)[C@@H](C)n1ccc(=O)c2cc(C)ccc21 ZINC000045923796 173695798 /nfs/dbraw/zinc/69/57/98/173695798.db2.gz FQRVBCSPSFENLS-SNVBAGLBSA-N 0 0 245.278 2.044 10 0 BEAERN COC(=O)[C@@H](Nc1ccc(OC)cc1)C(C)C ZINC000039320232 173713893 /nfs/dbraw/zinc/71/38/93/173713893.db2.gz VPESQHFPKWVFHH-LBPRGKRZSA-N 0 0 237.299 2.305 10 0 BEAERN COC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000037073870 173786747 /nfs/dbraw/zinc/78/67/47/173786747.db2.gz OKVUMHIVYPPVSI-SFYZADRCSA-N 0 0 243.253 2.177 10 0 BEAERN COC(=O)[C@H](C)Nc1ncccc1C(F)(F)F ZINC000035661066 173788302 /nfs/dbraw/zinc/78/83/02/173788302.db2.gz CQUUYNNREBSQRR-LURJTMIESA-N 0 0 248.204 2.074 10 0 BEAERN COC(=O)c1c(F)ccc(C=O)c1Cl ZINC000066325696 173844708 /nfs/dbraw/zinc/84/47/08/173844708.db2.gz ZXXAAKPHNLHRRL-UHFFFAOYSA-N 0 0 216.595 2.078 10 0 BEAERN COC(=O)c1cc(C)n(-c2ccccc2F)n1 ZINC000048018525 173852207 /nfs/dbraw/zinc/85/22/07/173852207.db2.gz LFCWFTNRKCDNTK-UHFFFAOYSA-N 0 0 234.230 2.106 10 0 BEAERN COC(=O)c1cc2c(o1)c(OC)ccc2C=O ZINC000039194274 173862927 /nfs/dbraw/zinc/86/29/27/173862927.db2.gz AVCWNJCJLPKBFH-UHFFFAOYSA-N 0 0 234.207 2.041 10 0 BEAERN COC(=O)c1ccc(F)cc1NC(C)C ZINC000037119446 173882117 /nfs/dbraw/zinc/88/21/17/173882117.db2.gz DPNGLKDMFPWKMJ-UHFFFAOYSA-N 0 0 211.236 2.433 10 0 BEAERN COC(=O)c1ccc(N(C)C(F)(F)F)cc1 ZINC000095076122 173882190 /nfs/dbraw/zinc/88/21/90/173882190.db2.gz USEZNNBGYVLPJT-UHFFFAOYSA-N 0 0 233.189 2.429 10 0 BEAERN COC(=O)c1ccccc1NC(=O)c1ccc[nH]1 ZINC000035162222 173899411 /nfs/dbraw/zinc/89/94/11/173899411.db2.gz AVCSIPVWKUUHAZ-UHFFFAOYSA-N 0 0 244.250 2.054 10 0 BEAERN COC(=O)c1ccnc2ccc(C)cc21 ZINC000230095467 173902271 /nfs/dbraw/zinc/90/22/71/173902271.db2.gz LDZREOFREHJKBL-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN COC(=O)c1nc(Cl)nc2ccccc21 ZINC000095936177 173915428 /nfs/dbraw/zinc/91/54/28/173915428.db2.gz UWFJIYLQUPOOJI-UHFFFAOYSA-N 0 0 222.631 2.070 10 0 BEAERN COC(=O)c1scc(-c2ccc(O)cc2)c1N ZINC000002528740 173923348 /nfs/dbraw/zinc/92/33/48/173923348.db2.gz VHFLZXFTRKBCNK-UHFFFAOYSA-N 0 0 249.291 2.490 10 0 BEAERN COC1=CC(=O)OC1=CNc1ccccc1 ZINC000100318291 174012714 /nfs/dbraw/zinc/01/27/14/174012714.db2.gz XVVXYPWJNCVLKQ-DHZHZOJOSA-N 0 0 217.224 2.027 10 0 BEAERN COC1=NC=CC[C@@]1(F)Br ZINC000055161679 174014334 /nfs/dbraw/zinc/01/43/34/174014334.db2.gz AKCMJZIQSAZODL-LURJTMIESA-N 0 0 208.030 2.009 10 0 BEAERN COCC(C)(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000122853052 174066353 /nfs/dbraw/zinc/06/63/53/174066353.db2.gz QQMHPHMVCUJGLS-OLZOCXBDSA-N 0 0 247.338 2.331 10 0 BEAERN COCCC(=O)c1cc(F)cc(F)c1 ZINC000041210202 174138944 /nfs/dbraw/zinc/13/89/44/174138944.db2.gz IWXCPGWZKRGZBA-UHFFFAOYSA-N 0 0 200.184 2.184 10 0 BEAERN COCCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041634 174160707 /nfs/dbraw/zinc/16/07/07/174160707.db2.gz NVOWOAFKEKJQOF-LLVKDONJSA-N 0 0 237.299 2.370 10 0 BEAERN COCCNc1cc2nc(C)sc2cc1N ZINC000035342429 174341093 /nfs/dbraw/zinc/34/10/93/174341093.db2.gz HKKYWFFYLZTSHH-UHFFFAOYSA-N 0 0 237.328 2.245 10 0 BEAERN COCCNc1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000053751122 174342729 /nfs/dbraw/zinc/34/27/29/174342729.db2.gz WSDMCXOAWCMUPU-NXEZZACHSA-N 0 0 239.319 2.422 10 0 BEAERN COCCOc1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000071564016 174368679 /nfs/dbraw/zinc/36/86/79/174368679.db2.gz MCOGYQAIQOPPIU-SNVBAGLBSA-N 0 0 249.232 2.274 10 0 BEAERN COCC[C@@H](C)NC(=O)NC1CCCCC1 ZINC000101761244 174380316 /nfs/dbraw/zinc/38/03/16/174380316.db2.gz KQGBHBVXELVSJE-SNVBAGLBSA-N 0 0 228.336 2.043 10 0 BEAERN COCC[C@@H](C)Nc1nc(C)ccc1OC ZINC000134307179 174387180 /nfs/dbraw/zinc/38/71/80/174387180.db2.gz HFSAGBULLXSSFN-SNVBAGLBSA-N 0 0 224.304 2.236 10 0 BEAERN COCC[C@@H](C)Nc1ncnc2ccccc21 ZINC000112013206 174387732 /nfs/dbraw/zinc/38/77/32/174387732.db2.gz BPKPXFRLRHABHF-SNVBAGLBSA-N 0 0 231.299 2.467 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccccc1 ZINC000103356732 174438483 /nfs/dbraw/zinc/43/84/83/174438483.db2.gz CQVIBNNXBNAESP-SNVBAGLBSA-N 0 0 208.257 2.012 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(F)c(F)cc1F ZINC000104481709 174528451 /nfs/dbraw/zinc/52/84/51/174528451.db2.gz XGRPSZGLDJFKFE-LURJTMIESA-N 0 0 247.216 2.325 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(C)cc1 ZINC000103356293 174528910 /nfs/dbraw/zinc/52/89/10/174528910.db2.gz WJCYAIKSZJVJHX-JTQLQIEISA-N 0 0 208.257 2.183 10 0 BEAERN COC[C@H](C)Nc1ccc(Cl)cc1N ZINC000020382453 174553260 /nfs/dbraw/zinc/55/32/60/174553260.db2.gz KZBCLWOFMXAJSR-ZETCQYMHSA-N 0 0 214.696 2.369 10 0 BEAERN CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100468584 174762521 /nfs/dbraw/zinc/76/25/21/174762521.db2.gz ZYYXGYAWMJJYHY-AOOOYVTPSA-N 0 0 229.320 2.469 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1ncncc1Cl ZINC000163605930 174882287 /nfs/dbraw/zinc/88/22/87/174882287.db2.gz HHUNSCSWKZKLSL-IUCAKERBSA-N 0 0 227.695 2.109 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2cncc(C)n2)C1 ZINC000302176585 174882792 /nfs/dbraw/zinc/88/27/92/174882792.db2.gz WNGZKIZWTPXWDG-QWRGUYRKSA-N 0 0 221.304 2.155 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cccc(N)c1 ZINC000050368698 174883655 /nfs/dbraw/zinc/88/36/55/174883655.db2.gz VCMGSYJXZPJETC-NEPJUHHUSA-N 0 0 206.289 2.248 10 0 BEAERN COc1c(Br)cncc1OC1CC1 ZINC000095728614 174918162 /nfs/dbraw/zinc/91/81/62/174918162.db2.gz YIOBLZRQUJHUME-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN COc1cc(-c2nnc(N)s2)ccc1C ZINC000019874348 174938962 /nfs/dbraw/zinc/93/89/62/174938962.db2.gz KTSKBKZMLOXFPW-UHFFFAOYSA-N 0 0 221.285 2.104 10 0 BEAERN COc1cc(-c2n[nH]c3ccc(N)cc32)ccn1 ZINC000147141278 174938970 /nfs/dbraw/zinc/93/89/70/174938970.db2.gz UBEXCJLEOXHFCL-UHFFFAOYSA-N 0 0 240.266 2.216 10 0 BEAERN COc1cc(C)c(NC(N)=O)cc1Cl ZINC000082595553 174960596 /nfs/dbraw/zinc/96/05/96/174960596.db2.gz XHKGTRRBEPGSPO-UHFFFAOYSA-N 0 0 214.652 2.148 10 0 BEAERN COc1cc(C)ccc1O[C@@H](C)[C@@H](C)O ZINC000044215209 174970078 /nfs/dbraw/zinc/97/00/78/174970078.db2.gz FFNOWJBLTIWUAF-ZJUUUORDSA-N 0 0 210.273 2.152 10 0 BEAERN COc1cc(CCc2cc(N)on2)cc(OC)c1 ZINC000104435885 174978986 /nfs/dbraw/zinc/97/89/86/174978986.db2.gz HOMQQLDMYWHEOR-UHFFFAOYSA-N 0 0 248.282 2.059 10 0 BEAERN COc1cc(F)c(C(=O)[C@H]2CCCO2)c(F)c1 ZINC000037903080 174991836 /nfs/dbraw/zinc/99/18/36/174991836.db2.gz AZWDFXHYPWWSBQ-SNVBAGLBSA-N 0 0 242.221 2.335 10 0 BEAERN COc1cc(N(C)Cc2cc(C)on2)ccc1N ZINC000104247954 174995266 /nfs/dbraw/zinc/99/52/66/174995266.db2.gz UNERDLZNKVCPIC-UHFFFAOYSA-N 0 0 247.298 2.210 10 0 BEAERN COc1cc(NC(=O)N[C@H]2C[C@@H]2C)ccc1F ZINC000187105383 174999836 /nfs/dbraw/zinc/99/98/36/174999836.db2.gz GHTCWXDFSQCLOR-XVKPBYJWSA-N 0 0 238.262 2.364 10 0 BEAERN COc1cc(NCCCCCO)cc(OC)c1 ZINC000051020615 175001287 /nfs/dbraw/zinc/00/12/87/175001287.db2.gz BWURYSMEIWTOLG-UHFFFAOYSA-N 0 0 239.315 2.278 10 0 BEAERN COc1cc(NCC[C@H]2CCCO2)ccc1N ZINC000104248015 175002341 /nfs/dbraw/zinc/00/23/41/175002341.db2.gz SNUPHDFGAWPWQE-LLVKDONJSA-N 0 0 236.315 2.258 10 0 BEAERN COc1cc(OC)c([C@@H](C)C(C)=O)c(OC)c1 ZINC000032233384 175007752 /nfs/dbraw/zinc/00/77/52/175007752.db2.gz PYDHRQFLYMIYEB-QMMMGPOBSA-N 0 0 238.283 2.405 10 0 BEAERN COc1cc(OC)c2c(c1)OCCCC2=O ZINC000036204405 175008667 /nfs/dbraw/zinc/00/86/67/175008667.db2.gz KFDUZDHEKAWPSE-UHFFFAOYSA-N 0 0 222.240 2.059 10 0 BEAERN COc1cc2c(c(OC)c1)[C@@H](C)C[C@@H]2O ZINC000082618432 175009599 /nfs/dbraw/zinc/00/95/99/175009599.db2.gz DCPAQQKTHYSDFQ-XVKPBYJWSA-N 0 0 208.257 2.244 10 0 BEAERN COc1cc(OC)c(Cl)c2c1NCC2 ZINC000037116740 175009676 /nfs/dbraw/zinc/00/96/76/175009676.db2.gz PGEABIRGDAAVIK-UHFFFAOYSA-N 0 0 213.664 2.325 10 0 BEAERN COc1cc(OC)cc(SC(=O)N(C)C)c1 ZINC000021988666 175010207 /nfs/dbraw/zinc/01/02/07/175010207.db2.gz HMHKDNFWTOAABU-UHFFFAOYSA-N 0 0 241.312 2.478 10 0 BEAERN COc1cc(OC)cc(OCCC(C)=O)c1 ZINC000032014741 175010531 /nfs/dbraw/zinc/01/05/31/175010531.db2.gz IJHYDOKLOLPQFC-UHFFFAOYSA-N 0 0 224.256 2.062 10 0 BEAERN COc1cc(Oc2ccccc2)nc(OC)n1 ZINC000045817403 175013181 /nfs/dbraw/zinc/01/31/81/175013181.db2.gz DYEYSARIEKVUQZ-UHFFFAOYSA-N 0 0 232.239 2.286 10 0 BEAERN COc1cc([C@@H](C)Nc2cnn(C)c2)ccc1O ZINC000035737687 175013906 /nfs/dbraw/zinc/01/39/06/175013906.db2.gz SVRIQWKWYDJHJH-SECBINFHSA-N 0 0 247.298 2.307 10 0 BEAERN COc1cc2[nH]cc(Cl)c(=O)c2cc1OC ZINC000039124011 175018679 /nfs/dbraw/zinc/01/86/79/175018679.db2.gz LBTMVSPZTLRPAT-UHFFFAOYSA-N 0 0 239.658 2.199 10 0 BEAERN COc1cc2c(C)[nH]c(=O)c(C)c2cc1OC ZINC000028767540 175018964 /nfs/dbraw/zinc/01/89/64/175018964.db2.gz GZOKWEHTOJFPDJ-UHFFFAOYSA-N 0 0 233.267 2.162 10 0 BEAERN COc1cc2c(c(O)c1C)CO[C@H](C)C2 ZINC000001842391 175019523 /nfs/dbraw/zinc/01/95/23/175019523.db2.gz OQMJILQCXYKZEM-SSDOTTSWSA-N 0 0 208.257 2.170 10 0 endogenous,in-man BEAERN COc1ccc(-c2cc(C)nc(N)n2)cc1C ZINC000071534038 175030561 /nfs/dbraw/zinc/03/05/61/175030561.db2.gz MCCWRJSKAIJWLT-UHFFFAOYSA-N 0 0 229.283 2.351 10 0 BEAERN COc1ccc(-c2cc(N)no2)cc1F ZINC000049814143 175032033 /nfs/dbraw/zinc/03/20/33/175032033.db2.gz FHFLWLVVRMTCPG-UHFFFAOYSA-N 0 0 208.192 2.072 10 0 BEAERN COc1ccc(-c2cnc(CO)s2)cc1 ZINC000045206043 175036133 /nfs/dbraw/zinc/03/61/33/175036133.db2.gz JNGUTVKCDGSABJ-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1ccc(-c2coc3ncnc(N)c23)cc1 ZINC000014945092 175037627 /nfs/dbraw/zinc/03/76/27/175037627.db2.gz QGHMHWPBFHABJY-UHFFFAOYSA-N 0 0 241.250 2.481 10 0 BEAERN COc1ccc(-c2n[nH]c(C(C)C)n2)cc1N ZINC000072237644 175037901 /nfs/dbraw/zinc/03/79/01/175037901.db2.gz RNCDWZPHZRWTEX-UHFFFAOYSA-N 0 0 232.287 2.186 10 0 BEAERN COc1ccc(-c2nc(C(C)C)no2)cc1N ZINC000082547002 175038627 /nfs/dbraw/zinc/03/86/27/175038627.db2.gz ICKUCHVCRBJYKT-UHFFFAOYSA-N 0 0 233.271 2.451 10 0 BEAERN COc1ccc(-c2nc(CCO)c(C)o2)cc1 ZINC000011585356 175039535 /nfs/dbraw/zinc/03/95/35/175039535.db2.gz BFRYADIHODFLMO-UHFFFAOYSA-N 0 0 233.267 2.193 10 0 BEAERN COc1ccc(-c2nc3n(n2)CCCC3)cc1 ZINC000039410962 175040876 /nfs/dbraw/zinc/04/08/76/175040876.db2.gz YJAUZTVVJHDZIO-UHFFFAOYSA-N 0 0 229.283 2.290 10 0 BEAERN COc1ccc(-c2ncc(N)s2)cc1 ZINC000044120492 175041009 /nfs/dbraw/zinc/04/10/09/175041009.db2.gz NQKJMIMUTFEJHU-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-c2ncsc2N)c(OC)c1 ZINC000050307976 175041736 /nfs/dbraw/zinc/04/17/36/175041736.db2.gz BBFCCYWDAGVTQO-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COc1ccc(-c2nncc(OC)c2OC)cc1 ZINC000091365942 175042361 /nfs/dbraw/zinc/04/23/61/175042361.db2.gz WXIXGJBCYAVMCH-UHFFFAOYSA-N 0 0 246.266 2.169 10 0 BEAERN COc1ccc(/C=C2/N=C(C)OC2=O)c(OC)c1 ZINC000003160094 175048356 /nfs/dbraw/zinc/04/83/56/175048356.db2.gz YMXHZKCZYAJCTI-IZZDOVSWSA-N 0 0 247.250 2.020 10 0 BEAERN COc1ccc(C(=O)C2CCOCC2)cc1 ZINC000061671167 175052618 /nfs/dbraw/zinc/05/26/18/175052618.db2.gz IINOPBXHLGRRGK-UHFFFAOYSA-N 0 0 220.268 2.305 10 0 BEAERN COc1ccc(C(=O)CN(C)C)cc1Cl ZINC000037333616 175053658 /nfs/dbraw/zinc/05/36/58/175053658.db2.gz HZGKSTWPDCBKJY-UHFFFAOYSA-N 0 0 227.691 2.093 10 0 BEAERN COc1ccc(C(=O)N2CCC(C)CC2)c(N)c1 ZINC000082697665 175055513 /nfs/dbraw/zinc/05/55/13/175055513.db2.gz VLSHTNOHZIZFSI-UHFFFAOYSA-N 0 0 248.326 2.150 10 0 BEAERN COc1ccc(C(=O)N2CCCCCC2)c(N)c1 ZINC000082697674 175055956 /nfs/dbraw/zinc/05/59/56/175055956.db2.gz VGDDSJSWICDGDT-UHFFFAOYSA-N 0 0 248.326 2.294 10 0 BEAERN COc1ccc(C(=O)c2cc(C=O)n(C)c2)cc1 ZINC000009280522 175066390 /nfs/dbraw/zinc/06/63/90/175066390.db2.gz GYELCBQFGBTBSJ-UHFFFAOYSA-N 0 0 243.262 2.077 10 0 BEAERN COc1ccc(C)cc1-c1cc(N)nc(C)n1 ZINC000071534042 175071543 /nfs/dbraw/zinc/07/15/43/175071543.db2.gz NTPUCVZDQQOVSH-UHFFFAOYSA-N 0 0 229.283 2.351 10 0 BEAERN COc1ccc(C)cc1-c1c(N)n[nH]c1C ZINC000036935738 175071901 /nfs/dbraw/zinc/07/19/01/175071901.db2.gz SPBRIONOWDAHJJ-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN COc1ccc(C)cc1-c1cnoc1N ZINC000042413667 175072409 /nfs/dbraw/zinc/07/24/09/175072409.db2.gz ZREXFVYGNYCBOX-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(C)cc1Nc1c(N)c(C)nn1C ZINC000036749172 175079553 /nfs/dbraw/zinc/07/95/53/175079553.db2.gz UBVJVMVPKDKTEX-UHFFFAOYSA-N 0 0 246.314 2.371 10 0 BEAERN COc1ccc(C)cc1[C@H]1CCC(=O)O1 ZINC000001612977 175082093 /nfs/dbraw/zinc/08/20/93/175082093.db2.gz HOURHTBOXRDXPB-LLVKDONJSA-N 0 0 206.241 2.382 10 0 BEAERN COc1ccc(CCNc2ccc(N)nc2)cc1 ZINC000019952954 175092362 /nfs/dbraw/zinc/09/23/62/175092362.db2.gz HKKIAECURVPBQC-UHFFFAOYSA-N 0 0 243.310 2.327 10 0 BEAERN COc1ccc(C[C@@H](C)Nc2cnn(C)c2)cc1 ZINC000035737389 175115628 /nfs/dbraw/zinc/11/56/28/175115628.db2.gz JFWZFSSSIOIHMP-LLVKDONJSA-N 0 0 245.326 2.472 10 0 BEAERN COc1ccc(C[C@H](C)[C@@H](C)O)cc1OC ZINC000041244473 175116874 /nfs/dbraw/zinc/11/68/74/175116874.db2.gz DCAPBNXXOFNBEG-VHSXEESVSA-N 0 0 224.300 2.263 10 0 BEAERN COc1ccc(Cl)cc1-c1cnc(CN)o1 ZINC000036164171 175119913 /nfs/dbraw/zinc/11/99/13/175119913.db2.gz WHRHLIOBXKDPEK-UHFFFAOYSA-N 0 0 238.674 2.462 10 0 BEAERN COc1ccc(Cl)cc1[C@@H](N)c1ncccn1 ZINC000055222776 175122167 /nfs/dbraw/zinc/12/21/67/175122167.db2.gz CUTKNIVCOGMDMI-LLVKDONJSA-N 0 0 249.701 2.187 10 0 BEAERN COc1ccc(F)cc1Cc1ccnc(N)c1 ZINC000082344844 175131392 /nfs/dbraw/zinc/13/13/92/175131392.db2.gz CNJRKDZGVHWFLX-UHFFFAOYSA-N 0 0 232.258 2.402 10 0 BEAERN COc1ccc(N)cc1Cn1cccc1 ZINC000038033527 175138310 /nfs/dbraw/zinc/13/83/10/175138310.db2.gz AXNDWXDMSDGERW-UHFFFAOYSA-N 0 0 202.257 2.127 10 0 BEAERN COc1ccc(N)cc1NC(=O)c1ccoc1C ZINC000021967088 175138420 /nfs/dbraw/zinc/13/84/20/175138420.db2.gz XBOWBCBKFVAVOI-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NC(=O)C2C[C@H]3C[C@H]3C2)cc1N ZINC000135010149 175140555 /nfs/dbraw/zinc/14/05/55/175140555.db2.gz RWBWIWDOYOOBHT-ULKQDVFKSA-N 0 0 246.310 2.262 10 0 BEAERN COc1ccc(NC(=O)N2CC3(CC3)C2)c(C)n1 ZINC000333485294 175143988 /nfs/dbraw/zinc/14/39/88/175143988.db2.gz HZCDGUKGTZTXDO-UHFFFAOYSA-N 0 0 247.298 2.026 10 0 BEAERN COc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1F ZINC000076034548 175144671 /nfs/dbraw/zinc/14/46/71/175144671.db2.gz WVXNEDMWSZLYDZ-OIBJUYFYSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(NC(=O)c2ccc(C)o2)cc1N ZINC000036269798 175147205 /nfs/dbraw/zinc/14/72/05/175147205.db2.gz LPIZNSBMQOIQQW-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NC(=O)c2ccoc2)cc1N ZINC000036269780 175148873 /nfs/dbraw/zinc/14/88/73/175148873.db2.gz CILKYODBWDDZEI-UHFFFAOYSA-N 0 0 232.239 2.123 10 0 BEAERN COc1ccc(NC2(CO)CCCC2)cc1 ZINC000038111990 175149203 /nfs/dbraw/zinc/14/92/03/175149203.db2.gz XXNNJNDWMLUENR-UHFFFAOYSA-N 0 0 221.300 2.412 10 0 BEAERN COc1ccc(NC2(C(N)=O)CCCCC2)cc1 ZINC000003171356 175149978 /nfs/dbraw/zinc/14/99/78/175149978.db2.gz HIXOZHYNXDACAC-UHFFFAOYSA-N 0 0 248.326 2.295 10 0 BEAERN COc1ccc(NC[C@@H]2CCOC2)c(OC)c1 ZINC000019903459 175151362 /nfs/dbraw/zinc/15/13/62/175151362.db2.gz WHQDUNCCOZMUSM-JTQLQIEISA-N 0 0 237.299 2.152 10 0 BEAERN COc1ccc(NCCn2ccnc2C)cc1F ZINC000049330072 175151488 /nfs/dbraw/zinc/15/14/88/175151488.db2.gz YGSBLGSLNQQSPD-UHFFFAOYSA-N 0 0 249.289 2.451 10 0 BEAERN COc1ccc(NC[C@@H]2CCOC2)cc1OC ZINC000019908809 175151567 /nfs/dbraw/zinc/15/15/67/175151567.db2.gz LNINYGOZFVWKLH-JTQLQIEISA-N 0 0 237.299 2.152 10 0 BEAERN COc1ccc(NCc2cc[nH]n2)cc1C ZINC000049528468 175151675 /nfs/dbraw/zinc/15/16/75/175151675.db2.gz JIXPNPZPLHKVDB-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccc(NC[C@@H]2CCCCO2)cn1 ZINC000036230955 175151707 /nfs/dbraw/zinc/15/17/07/175151707.db2.gz DLIICEXMAHGMGQ-NSHDSACASA-N 0 0 222.288 2.071 10 0 BEAERN COc1ccc(NCc2ccncn2)cc1C ZINC000054789814 175152480 /nfs/dbraw/zinc/15/24/80/175152480.db2.gz HPPSRQRXBPSCSJ-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COc1ccc(N[C@H](C)c2cc[nH]n2)cc1O ZINC000037908144 175154881 /nfs/dbraw/zinc/15/48/81/175154881.db2.gz NWVYUFVMTAVQAE-MRVPVSSYSA-N 0 0 233.271 2.297 10 0 BEAERN COc1ccc(N[C@H]2CCCC[C@@H]2O)cc1 ZINC000034453230 175155268 /nfs/dbraw/zinc/15/52/68/175155268.db2.gz ISSYUPPJBKVIRT-STQMWFEESA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccc(N[C@H]2CCCC[C@H]2O)cc1 ZINC000037691306 175155304 /nfs/dbraw/zinc/15/53/04/175155304.db2.gz ISSYUPPJBKVIRT-QWHCGFSZSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccc(OC)c(-c2cnc([C@@H](C)N)o2)c1 ZINC000011587081 175163618 /nfs/dbraw/zinc/16/36/18/175163618.db2.gz UXIDDUVCXJRELB-MRVPVSSYSA-N 0 0 248.282 2.379 10 0 BEAERN COc1ccc(OC)c(NC[C@H]2CCCO2)c1 ZINC000020046512 175166815 /nfs/dbraw/zinc/16/68/15/175166815.db2.gz BGXVBXFNGYXVHB-LLVKDONJSA-N 0 0 237.299 2.295 10 0 BEAERN COc1ccc(OC)c([C@@H]2NCCS2)c1 ZINC000058615295 175168109 /nfs/dbraw/zinc/16/81/09/175168109.db2.gz ZBWSPOFLBKHVLD-LLVKDONJSA-N 0 0 225.313 2.039 10 0 BEAERN COc1ccc(SCCn2ccc(N)n2)cc1 ZINC000071379056 175175056 /nfs/dbraw/zinc/17/50/56/175175056.db2.gz XCEQCJMWJFBKBH-UHFFFAOYSA-N 0 0 249.339 2.266 10 0 BEAERN COc1ccc([C@@H](O)CSC)cc1OC ZINC000040543480 175181457 /nfs/dbraw/zinc/18/14/57/175181457.db2.gz NENCDKNMOQZJPC-VIFPVBQESA-N 0 0 228.313 2.100 10 0 BEAERN COc1ccc([C@H](C(=O)[O-])[NH+](C)C)cc1Cl ZINC000041289439 175187558 /nfs/dbraw/zinc/18/75/58/175187558.db2.gz VSMBBMMAEUQGGR-SNVBAGLBSA-N 0 0 243.690 2.036 10 0 BEAERN COc1ccc([C@H]2CC[C@H](O)C2)cc1OC ZINC000057514788 175195748 /nfs/dbraw/zinc/19/57/48/175195748.db2.gz WTZGNIGPACXIPN-ONGXEEELSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc2c(Br)nn(C)c2c1 ZINC000095930311 175203451 /nfs/dbraw/zinc/20/34/51/175203451.db2.gz RKQRDWFKLSTBGG-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1ccc2c(C)cc3nncn3c2c1 ZINC000001094075 175203652 /nfs/dbraw/zinc/20/36/52/175203652.db2.gz ABXPLSSVXWMCDS-UHFFFAOYSA-N 0 0 213.240 2.200 10 0 BEAERN COc1ccc2c(c1)ncnc2NC1CC1 ZINC000032544390 175206087 /nfs/dbraw/zinc/20/60/87/175206087.db2.gz LHJOFRGHTSUETC-UHFFFAOYSA-N 0 0 215.256 2.213 10 0 BEAERN COc1ccc2c(c1)CCc1sc(CO)nc1-2 ZINC000045205988 175209516 /nfs/dbraw/zinc/20/95/16/175209516.db2.gz ICTLERGRYKBDRA-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN COc1ccc2c(c1)NC(=O)CC(C)(C)O2 ZINC000000260319 175211428 /nfs/dbraw/zinc/21/14/28/175211428.db2.gz FVQUZKDYAONWKD-UHFFFAOYSA-N 0 0 221.256 2.195 10 0 BEAERN COc1ccc2c(c1)OC(C)(C)C[C@@H]2O ZINC000011568131 175213011 /nfs/dbraw/zinc/21/30/11/175213011.db2.gz BJAOFCXNFMYEPG-JTQLQIEISA-N 0 0 208.257 2.290 10 0 BEAERN COc1ccc2c(c1)[C@@H](O)[C@@H](n1ccnc1)CC2 ZINC000027327121 175214550 /nfs/dbraw/zinc/21/45/50/175214550.db2.gz VVFFIGADLXLSFZ-UONOGXRCSA-N 0 0 244.294 2.113 10 0 BEAERN COc1ccc2c(c1)[C@H](O)[C@@H](n1ccnc1)CC2 ZINC000027327112 175217064 /nfs/dbraw/zinc/21/70/64/175217064.db2.gz VVFFIGADLXLSFZ-KBPBESRZSA-N 0 0 244.294 2.113 10 0 BEAERN COc1ccc2cc([C@@H]([NH3+])CC(=O)[O-])ccc2c1 ZINC000002511683 175225168 /nfs/dbraw/zinc/22/51/68/175225168.db2.gz FQHYSNWCINTNIP-ZDUSSCGKSA-N 0 0 245.278 2.323 10 0 BEAERN COc1ccc2ccccc2c1C(=O)C=O ZINC000083230558 175225283 /nfs/dbraw/zinc/22/52/83/175225283.db2.gz SSQUDPFXQTZQIY-UHFFFAOYSA-N 0 0 214.220 2.230 10 0 BEAERN COc1ccc2cccc(CCNC(N)=O)c2c1 ZINC000013781768 175225819 /nfs/dbraw/zinc/22/58/19/175225819.db2.gz IHVFNBGROTYVJV-UHFFFAOYSA-N 0 0 244.294 2.059 10 0 BEAERN COc1ccc2nc(C(=O)N3CCC3)ccc2c1 ZINC000124994770 175227735 /nfs/dbraw/zinc/22/77/35/175227735.db2.gz XGHDEWVLMQHPDA-UHFFFAOYSA-N 0 0 242.278 2.089 10 0 BEAERN COc1ccc2nn(C)c(Br)c2c1 ZINC000090548251 175229637 /nfs/dbraw/zinc/22/96/37/175229637.db2.gz VIIMHZNOONBMCX-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1ccc2sc([C@@H](C)O)nc2c1 ZINC000075852938 175231792 /nfs/dbraw/zinc/23/17/92/175231792.db2.gz ZLSQCWWZOCJWCQ-ZCFIWIBFSA-N 0 0 209.270 2.358 10 0 BEAERN COc1cccc(-c2nc(CCO)cs2)c1 ZINC000019787948 175236784 /nfs/dbraw/zinc/23/67/84/175236784.db2.gz HDSNCCQBMGBTHR-UHFFFAOYSA-N 0 0 235.308 2.354 10 0 BEAERN COc1cccc(-n2nc(C)c(N)c2C)c1 ZINC000032013195 175239717 /nfs/dbraw/zinc/23/97/17/175239717.db2.gz BFPNPEXTBDMRRT-UHFFFAOYSA-N 0 0 217.272 2.080 10 0 BEAERN COc1cccc(C(=O)C[C@H]2CCCO2)c1 ZINC000037464122 175242316 /nfs/dbraw/zinc/24/23/16/175242316.db2.gz OPFDDZKNQFJRIT-GFCCVEGCSA-N 0 0 220.268 2.447 10 0 BEAERN COc1cccc(C(=O)N(C)C[C@@H]2C[C@H]2C)c1O ZINC000104422361 175242822 /nfs/dbraw/zinc/24/28/22/175242822.db2.gz UWOGMVOSVQRJGQ-ZJUUUORDSA-N 0 0 249.310 2.129 10 0 BEAERN COc1cccc(C(=O)N2CCCCC2)c1F ZINC000134511280 175243490 /nfs/dbraw/zinc/24/34/90/175243490.db2.gz HBGJGTYCXXZLEU-UHFFFAOYSA-N 0 0 237.274 2.460 10 0 BEAERN COc1cccc(C(=O)c2ccncc2)c1F ZINC000075870772 175247359 /nfs/dbraw/zinc/24/73/59/175247359.db2.gz OYZWFQZUYHEBQJ-UHFFFAOYSA-N 0 0 231.226 2.460 10 0 BEAERN COc1cccc(CNNCc2ccccc2)c1 ZINC000095917786 175265825 /nfs/dbraw/zinc/26/58/25/175265825.db2.gz QNVRFMODWJWWKX-UHFFFAOYSA-N 0 0 242.322 2.490 10 0 BEAERN COc1cccc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000190250008 175276994 /nfs/dbraw/zinc/27/69/94/175276994.db2.gz QDERATYTJLBLGQ-GXFFZTMASA-N 0 0 249.310 2.449 10 0 BEAERN COc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000121725051 175277498 /nfs/dbraw/zinc/27/74/98/175277498.db2.gz VPTAZDMKJXQXPI-SKDRFNHKSA-N 0 0 235.283 2.201 10 0 BEAERN COc1cccc(NC[C@@H]2CCCO2)c1 ZINC000020055726 175279445 /nfs/dbraw/zinc/27/94/45/175279445.db2.gz GSUWPDSUWVBYGG-LBPRGKRZSA-N 0 0 207.273 2.286 10 0 BEAERN COc1cccc(Oc2c(N)c(C)nn2C)c1 ZINC000036749475 175285229 /nfs/dbraw/zinc/28/52/29/175285229.db2.gz WEJSOSRFWGXUES-UHFFFAOYSA-N 0 0 233.271 2.112 10 0 BEAERN COc1cccc(Sc2c(N)c(C)nn2C)c1 ZINC000036749623 175286025 /nfs/dbraw/zinc/28/60/25/175286025.db2.gz QMICLBSAYNOGSE-UHFFFAOYSA-N 0 0 249.339 2.471 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCC2CC2)c1 ZINC000106735949 175290720 /nfs/dbraw/zinc/29/07/20/175290720.db2.gz LMDIPPOYLGGMHO-KBPBESRZSA-N 0 0 245.322 2.325 10 0 BEAERN COc1cccc2[nH]c3c(c21)CC[NH+]=C3 ZINC000013587963 175297529 /nfs/dbraw/zinc/29/75/29/175297529.db2.gz UXOCVYNVGBOVRY-UHFFFAOYSA-N 0 0 200.241 2.152 10 0 in-vivo BEAERN COc1cccc([C@]2(C)CCC(=O)O2)c1 ZINC000049813411 175297831 /nfs/dbraw/zinc/29/78/31/175297831.db2.gz FJYICWLEFCBPDZ-LBPRGKRZSA-N 0 0 206.241 2.247 10 0 BEAERN COc1cccc2c1C=C(n1ccnc1)C2 ZINC000021994665 175301129 /nfs/dbraw/zinc/30/11/29/175301129.db2.gz WMDIHHJAYYKRLL-UHFFFAOYSA-N 0 0 212.252 2.446 10 0 BEAERN COc1cccc2c1c(Br)nn2C ZINC000095930324 175305729 /nfs/dbraw/zinc/30/57/29/175305729.db2.gz PYOZKKANOVSUPS-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1ccccc1-c1cnnc(Cl)n1 ZINC000082538770 175310260 /nfs/dbraw/zinc/31/02/60/175310260.db2.gz KMXIOQXICPLLFQ-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN COc1ccccc1-c1noc(C)c1CO ZINC000034569486 175312269 /nfs/dbraw/zinc/31/22/69/175312269.db2.gz PICFVDCGGRVNNY-UHFFFAOYSA-N 0 0 219.240 2.151 10 0 BEAERN COc1ccccc1C1CC([NH2+][C@H](C)C(=O)[O-])C1 ZINC000049356613 175320775 /nfs/dbraw/zinc/32/07/75/175320775.db2.gz SGDXVJXKTUKOQV-KPPDAEKUSA-N 0 0 249.310 2.004 10 0 BEAERN COc1ccccc1CCn1cn[nH]c1=S ZINC000077370981 175324580 /nfs/dbraw/zinc/32/45/80/175324580.db2.gz KXACMLCYIIHWGN-UHFFFAOYSA-N 0 0 235.312 2.192 10 0 BEAERN COc1ccccc1C[C@H](C)Nc1cnn(C)c1 ZINC000037259929 175333949 /nfs/dbraw/zinc/33/39/49/175333949.db2.gz WQTQVTVVOYZWGA-NSHDSACASA-N 0 0 245.326 2.472 10 0 BEAERN COc1ccccc1C[C@H](O)c1cccnc1 ZINC000040907304 175333998 /nfs/dbraw/zinc/33/39/98/175333998.db2.gz MCPQLCVLSFSRHT-ZDUSSCGKSA-N 0 0 229.279 2.366 10 0 BEAERN COc1ccccc1NC1(CO)CCCC1 ZINC000038118811 175336726 /nfs/dbraw/zinc/33/67/26/175336726.db2.gz GUOBRBANNMYGEA-UHFFFAOYSA-N 0 0 221.300 2.412 10 0 BEAERN COc1ccccc1N[C@H](C)C(=O)N1CCCC1 ZINC000057324353 175338735 /nfs/dbraw/zinc/33/87/35/175338735.db2.gz RGIBHXNQMMXNNH-LLVKDONJSA-N 0 0 248.326 2.118 10 0 BEAERN COc1ccccc1N[C@H](C)C(=O)NC(C)C ZINC000006968029 175338775 /nfs/dbraw/zinc/33/87/75/175338775.db2.gz UCSGUDCQRHLPMB-SNVBAGLBSA-N 0 0 236.315 2.020 10 0 BEAERN COc1ccccc1N[C@@H](CC(C)C)C(N)=O ZINC000037944849 175338886 /nfs/dbraw/zinc/33/88/86/175338886.db2.gz VPMGLMYSSFKLSH-NSHDSACASA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccccc1OCCCC(N)=S ZINC000019430261 175340990 /nfs/dbraw/zinc/34/09/90/175340990.db2.gz VMTCZUYSDADBPL-UHFFFAOYSA-N 0 0 225.313 2.140 10 0 BEAERN COc1ccccc1[C@H](C)NCc1cncnc1 ZINC000054767028 175351974 /nfs/dbraw/zinc/35/19/74/175351974.db2.gz VIYQUJGYAGJAQB-NSHDSACASA-N 0 0 243.310 2.336 10 0 BEAERN COc1ccnc(NCCC2CCCC2)n1 ZINC000105797100 175364599 /nfs/dbraw/zinc/36/45/99/175364599.db2.gz CXKUJYAGVHFKAT-UHFFFAOYSA-N 0 0 221.304 2.477 10 0 BEAERN COc1ccnc(Oc2cccc([C@@H](C)O)c2)n1 ZINC000058825657 175368456 /nfs/dbraw/zinc/36/84/56/175368456.db2.gz UXAKBWXFGNMYOU-SECBINFHSA-N 0 0 246.266 2.331 10 0 BEAERN COc1nc(Cl)nc(Oc2ccccc2)n1 ZINC000032235308 175392466 /nfs/dbraw/zinc/39/24/66/175392466.db2.gz BEFZTDISUQQAPO-UHFFFAOYSA-N 0 0 237.646 2.326 10 0 BEAERN COc1nc(N2CCCCCC2)ccc1N ZINC000037066341 175392612 /nfs/dbraw/zinc/39/26/12/175392612.db2.gz XCTGBPOHNPXKSH-UHFFFAOYSA-N 0 0 221.304 2.053 10 0 BEAERN COc1nc(Cl)nc2sccc21 ZINC000082912737 175392636 /nfs/dbraw/zinc/39/26/36/175392636.db2.gz OLAIDIXATIJEKN-UHFFFAOYSA-N 0 0 200.650 2.353 10 0 BEAERN COc1nc(Cl)nc(-c2ccsc2)n1 ZINC000072192394 175392942 /nfs/dbraw/zinc/39/29/42/175392942.db2.gz WLGLSMXCNPPKDE-UHFFFAOYSA-N 0 0 227.676 2.262 10 0 BEAERN COc1nc(Cl)nc(NCC2CCCC2)n1 ZINC000061514018 175392992 /nfs/dbraw/zinc/39/29/92/175392992.db2.gz JBBURDHQABPCSJ-UHFFFAOYSA-N 0 0 242.710 2.136 10 0 BEAERN COc1nc(N[C@H](C)c2ccccn2)ccc1N ZINC000035694659 175395343 /nfs/dbraw/zinc/39/53/43/175395343.db2.gz OHTBNNHNSDEDGM-SECBINFHSA-N 0 0 244.298 2.241 10 0 BEAERN COc1nc(NCC2CCCC2)ccc1N ZINC000037258314 175395396 /nfs/dbraw/zinc/39/53/96/175395396.db2.gz MFNTXBMIKZMULO-UHFFFAOYSA-N 0 0 221.304 2.275 10 0 BEAERN COc1nc(SCC(C)C)ccc1N ZINC000037078009 175396537 /nfs/dbraw/zinc/39/65/37/175396537.db2.gz XNRTVYDIGYQHBB-UHFFFAOYSA-N 0 0 212.318 2.421 10 0 BEAERN COc1nc(OCc2cccs2)ccc1N ZINC000049584512 175396539 /nfs/dbraw/zinc/39/65/39/175396539.db2.gz UXSLXGMGQGJXBS-UHFFFAOYSA-N 0 0 236.296 2.313 10 0 BEAERN COc1ncc(-c2ccc(C=O)s2)cn1 ZINC000075878488 175397439 /nfs/dbraw/zinc/39/74/39/175397439.db2.gz XALBUKZBFACHIB-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN COc1ncc(C)cc1NCc1cc[nH]c1 ZINC000125098748 175398263 /nfs/dbraw/zinc/39/82/63/175398263.db2.gz HCCVOIHMHKWFOU-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1onc(-c2ccccc2)c1C=O ZINC000075603015 175418626 /nfs/dbraw/zinc/41/86/26/175418626.db2.gz GDJHHIVEKKMPMI-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN CSCCCNC(=O)c1ccc(C)nc1C ZINC000123528021 175485687 /nfs/dbraw/zinc/48/56/87/175485687.db2.gz DFIWUVFPOYGJKI-UHFFFAOYSA-N 0 0 238.356 2.181 10 0 BEAERN CSCC[C@H](N)C(=O)OCCCC(C)C ZINC000038524955 175507843 /nfs/dbraw/zinc/50/78/43/175507843.db2.gz HBSHVJBMWNHRFY-JTQLQIEISA-N 0 0 233.377 2.046 10 0 BEAERN CSC[C@H](C)Nc1ccc(SC)nn1 ZINC000301358475 175524693 /nfs/dbraw/zinc/52/46/93/175524693.db2.gz ZFOFWJCFKHBNDW-ZETCQYMHSA-N 0 0 229.374 2.362 10 0 BEAERN CSCc1noc(-c2ccc(F)cc2N)n1 ZINC000054493792 175533848 /nfs/dbraw/zinc/53/38/48/175533848.db2.gz FWAYTAQLUBIBHT-UHFFFAOYSA-N 0 0 239.275 2.321 10 0 BEAERN CS[C@@H](C)C(=O)Nc1ccc(N)cc1C ZINC000038063581 175537459 /nfs/dbraw/zinc/53/74/59/175537459.db2.gz WBGZBFJBTOMZKI-QMMMGPOBSA-N 0 0 224.329 2.267 10 0 BEAERN CSc1ccc(C(=O)N[C@H]2C[C@@H]2C)o1 ZINC000112285668 175574789 /nfs/dbraw/zinc/57/47/89/175574789.db2.gz JPUQJXHHYOSLQO-BQBZGAKWSA-N 0 0 211.286 2.140 10 0 BEAERN CSc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000074540855 175579179 /nfs/dbraw/zinc/57/91/79/175579179.db2.gz GQQNQNPQKBGHPW-ZCFIWIBFSA-N 0 0 209.270 2.128 10 0 BEAERN CSc1cccc(F)c1C(N)=S ZINC000125601960 175579540 /nfs/dbraw/zinc/57/95/40/175579540.db2.gz LFAFDPDJBUHLGG-UHFFFAOYSA-N 0 0 201.291 2.182 10 0 BEAERN CSc1cnc(N(C)C)c(OC2CC2)c1 ZINC000095732389 175585615 /nfs/dbraw/zinc/58/56/15/175585615.db2.gz QDSCSCUMWZGNAM-UHFFFAOYSA-N 0 0 224.329 2.411 10 0 BEAERN C[C@@H](NCc1ccc(F)cc1)c1cc[nH]n1 ZINC000037906578 175897961 /nfs/dbraw/zinc/89/79/61/175897961.db2.gz LOYACLSIBYADDC-SECBINFHSA-N 0 0 219.263 2.400 10 0 BEAERN C[C@@H](N[C@H](C)c1ccccn1)c1cc[nH]n1 ZINC000037906730 175919908 /nfs/dbraw/zinc/91/99/08/175919908.db2.gz JMWRMSSUGQAXAT-NXEZZACHSA-N 0 0 216.288 2.217 10 0 BEAERN C[C@@H](Nc1c(F)cccc1F)C(=O)NC1CC1 ZINC000020359450 175929130 /nfs/dbraw/zinc/92/91/30/175929130.db2.gz VTZAZUCFJIWTHE-SSDOTTSWSA-N 0 0 240.253 2.044 10 0 BEAERN C[C@@H](Nc1ccccc1)C(=O)NCc1ccco1 ZINC000020358917 175933928 /nfs/dbraw/zinc/93/39/28/175933928.db2.gz FCKOXDFPCKJHDS-LLVKDONJSA-N 0 0 244.294 2.396 10 0 BEAERN C[C@@H](Nc1ccn(C)n1)c1cccc(O)c1 ZINC000037471918 175934495 /nfs/dbraw/zinc/93/44/95/175934495.db2.gz DZVLDYZRVKDRIN-SECBINFHSA-N 0 0 217.272 2.299 10 0 BEAERN C[C@@H](Nc1cn[nH]c1)c1ccc2c(c1)OCCO2 ZINC000035763880 175935627 /nfs/dbraw/zinc/93/56/27/175935627.db2.gz TXVXTJDQESZETB-SECBINFHSA-N 0 0 245.282 2.354 10 0 BEAERN C[C@@H](Nc1cnn(C)c1)c1ccc(O)cc1 ZINC000035737813 175936564 /nfs/dbraw/zinc/93/65/64/175936564.db2.gz VECZHPDRZWYVLA-SECBINFHSA-N 0 0 217.272 2.299 10 0 BEAERN C[C@@H](Nc1ncccn1)c1ccccc1N ZINC000037673399 175938235 /nfs/dbraw/zinc/93/82/35/175938235.db2.gz DXPXPUMJVJXNED-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](NC1N=NC(=S)S1)c1ccncc1 ZINC000035693886 175940093 /nfs/dbraw/zinc/94/00/93/175940093.db2.gz BGUSTIQBCWLYMC-ZCFIWIBFSA-N 0 0 238.341 2.395 10 0 BEAERN C[C@@H](O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000087138847 175992667 /nfs/dbraw/zinc/99/26/67/175992667.db2.gz JJZYAAZUKOCISV-HTQZYQBOSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@@H](O)[C@@H](C)c1nc(CCc2ccccc2)no1 ZINC000104054316 175992786 /nfs/dbraw/zinc/99/27/86/175992786.db2.gz MMWGLUSGEDOJCJ-GHMZBOCLSA-N 0 0 246.310 2.339 10 0 BEAERN C[C@@H](O)c1nc(C(C)(C)c2ccccc2)no1 ZINC000104438616 176000376 /nfs/dbraw/zinc/00/03/76/176000376.db2.gz ZCLJWFZQVWFSNC-SECBINFHSA-N 0 0 232.283 2.449 10 0 BEAERN C[C@@H](OC[C@H]1CCOC1)c1ccc(N)cc1 ZINC000049688923 176003415 /nfs/dbraw/zinc/00/34/15/176003415.db2.gz ZYQPEDLYPIXLHJ-MNOVXSKESA-N 0 0 221.300 2.383 10 0 BEAERN C[C@@H](Oc1ccccc1N)C(=O)NC1CCCC1 ZINC000037985383 176006694 /nfs/dbraw/zinc/00/66/94/176006694.db2.gz WNIJYBLMIKLOAP-SNVBAGLBSA-N 0 0 248.326 2.095 10 0 BEAERN C[C@@H](SC[C@H](O)CO)c1ccc(F)c(F)c1 ZINC000177407233 176008901 /nfs/dbraw/zinc/00/89/01/176008901.db2.gz AWURPRUECVORAH-VXNVDRBHSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@@H](c1c(F)cccc1F)n1nccc1N ZINC000019689292 176013104 /nfs/dbraw/zinc/01/31/04/176013104.db2.gz KFBLUOSIRZVVPF-ZETCQYMHSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@@H]1CC(=O)Nc2cccc(Cl)c2O1 ZINC000062525481 176050189 /nfs/dbraw/zinc/05/01/89/176050189.db2.gz OHUQKGOFTFCTLD-ZCFIWIBFSA-N 0 0 211.648 2.450 10 0 BEAERN C[C@H]1Cc2nc3ccccc3n2C(=O)C1 ZINC000039286890 176050715 /nfs/dbraw/zinc/05/07/15/176050715.db2.gz PEPFUZUBUHUZMO-QMMMGPOBSA-N 0 0 200.241 2.259 10 0 BEAERN C[C@@H]1CC(=O)Oc2cc(N(C)C)ccc21 ZINC000021995790 176050737 /nfs/dbraw/zinc/05/07/37/176050737.db2.gz LBVGZPVDGHTNDS-MRVPVSSYSA-N 0 0 205.257 2.165 10 0 BEAERN C[C@@H]1CCCC[C@H]1Oc1ncc(N)cn1 ZINC000040456024 176090319 /nfs/dbraw/zinc/09/03/19/176090319.db2.gz GQFFPSFXQGQYNU-PSASIEDQSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2cc(N)cc(N)c2)[C@@H]1C ZINC000050563200 176094826 /nfs/dbraw/zinc/09/48/26/176094826.db2.gz TVUDGTDLOVJNNB-NXEZZACHSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2sccc2N)C1 ZINC000040292479 176096556 /nfs/dbraw/zinc/09/65/56/176096556.db2.gz DDEKUUWXQNXFMG-MRVPVSSYSA-N 0 0 224.329 2.202 10 0 BEAERN C[C@@H]1CCCN(c2nc3sccn3c2C=O)C1 ZINC000022157376 176104782 /nfs/dbraw/zinc/10/47/82/176104782.db2.gz DLOUXTBIPWPCIF-SECBINFHSA-N 0 0 249.339 2.445 10 0 BEAERN C[C@@H]1CCCN1C(=O)N[C@@H]1COc2ccccc21 ZINC000176042281 176105661 /nfs/dbraw/zinc/10/56/61/176105661.db2.gz QHSJLHXBMWPKDX-ZYHUDNBSSA-N 0 0 246.310 2.314 10 0 BEAERN C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000125168350 176114660 /nfs/dbraw/zinc/11/46/60/176114660.db2.gz BRGVGINVVDYODH-VXGBXAGGSA-N 0 0 240.391 2.412 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1csc(N)n1 ZINC000055185150 176115838 /nfs/dbraw/zinc/11/58/38/176115838.db2.gz MBNUIPDYEUSSBG-HTQZYQBOSA-N 0 0 239.344 2.128 10 0 BEAERN C[C@@H]1CCC[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491633 176120910 /nfs/dbraw/zinc/12/09/10/176120910.db2.gz ONCPVNNTQCZBQF-NXEZZACHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000125837949 176121658 /nfs/dbraw/zinc/12/16/58/176121658.db2.gz KOOJHNJVHOGPNA-DDHJBXDOSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@@H]1CCC[C@@H](OC(=O)c2cncc(N)c2)C1 ZINC000062947494 176125147 /nfs/dbraw/zinc/12/51/47/176125147.db2.gz CCJFJRDOJLAVDP-BXKDBHETSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000310334005 176127152 /nfs/dbraw/zinc/12/71/52/176127152.db2.gz ZNWIZJJYAQSEJH-XQHKEYJVSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@](C(=O)[O-])([NH+]2CCCC2)C1 ZINC000037359585 176133172 /nfs/dbraw/zinc/13/31/72/176133172.db2.gz VSLUUOFUNHKVIF-ZYHUDNBSSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2CC[C@H](CCO)C2)C1 ZINC000340262505 176135744 /nfs/dbraw/zinc/13/57/44/176135744.db2.gz FEBWWEDXDKQAEQ-UPJWGTAASA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@H]2CCCn3ccnc32)[C@@H]1C ZINC000246941728 176161562 /nfs/dbraw/zinc/16/15/62/176161562.db2.gz OVPULGGFTWQNDX-UTUOFQBUSA-N 0 0 247.342 2.017 10 0 BEAERN C[C@@H]1CCO[C@@H](COc2ccccc2)O1 ZINC000038648052 176190336 /nfs/dbraw/zinc/19/03/36/176190336.db2.gz ACCCAQVFLWDUTB-ZYHUDNBSSA-N 0 0 208.257 2.217 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2F)O1 ZINC000121810834 176196370 /nfs/dbraw/zinc/19/63/70/176196370.db2.gz ZBMSRMONHQDJAJ-KCJUWKMLSA-N 0 0 223.247 2.332 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCc2ccccc2F)O1 ZINC000122740265 176221235 /nfs/dbraw/zinc/22/12/35/176221235.db2.gz HEWCKYOBPZWSML-BXKDBHETSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@@H]1CC[C@H](Cc2nc(-c3ncon3)no2)C1 ZINC000329588043 176228155 /nfs/dbraw/zinc/22/81/55/176228155.db2.gz MXTSNULWCQGXBO-SFYZADRCSA-N 0 0 234.259 2.098 10 0 BEAERN C[C@@H]1CCc2nc(N)nc(Cl)c2S1 ZINC000075625825 176240456 /nfs/dbraw/zinc/24/04/56/176240456.db2.gz JBHDCNCGCDRHSB-SCSAIBSYSA-N 0 0 215.709 2.139 10 0 BEAERN C[C@H](CN1CCO[C@H](C)C1)C(=O)c1ccccc1 ZINC000053934869 176295933 /nfs/dbraw/zinc/29/59/33/176295933.db2.gz BXHYRWDFAVOVNL-CHWSQXEVSA-N 0 0 247.338 2.226 10 0 BEAERN C[C@@H]1CN(Cc2ccc(Cl)c(N)c2)CCO1 ZINC000020072093 176302868 /nfs/dbraw/zinc/30/28/68/176302868.db2.gz CQRLSMJMTJWZSZ-SECBINFHSA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1CN(Cc2ccc(N)c(F)c2)[C@H](C)CO1 ZINC000063011275 176304261 /nfs/dbraw/zinc/30/42/61/176304261.db2.gz BXQZJSSJNLEDJT-NXEZZACHSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@@H](O)c1ccccc1N1CCCO[C@H](C)C1 ZINC000061919553 176319786 /nfs/dbraw/zinc/31/97/86/176319786.db2.gz CUKBWGPCXMBFID-VXGBXAGGSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H]1COCCN1Cc1cc(N)ccc1Cl ZINC000035773468 176337224 /nfs/dbraw/zinc/33/72/24/176337224.db2.gz NSDSMZNXKHVHQN-SECBINFHSA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(F)cc1 ZINC000040634509 176345992 /nfs/dbraw/zinc/34/59/92/176345992.db2.gz VAXODPMSSDSMSJ-NXEZZACHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1cccnc1Cl ZINC000172667359 176347092 /nfs/dbraw/zinc/34/70/92/176347092.db2.gz YCLDKOLLOXDLJX-NXEZZACHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ncnc(Cl)c2N)C1 ZINC000060836958 176361566 /nfs/dbraw/zinc/36/15/66/176361566.db2.gz IRBAUTPWKYJQBF-HTQZYQBOSA-N 0 0 240.738 2.195 10 0 BEAERN C[C@@H]1C[C@@H](C)C[NH+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182879 176361931 /nfs/dbraw/zinc/36/19/31/176361931.db2.gz SKRRLCRUOIEQSA-GHMZBOCLSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1cc(N)c(F)cc1F ZINC000036738884 176387323 /nfs/dbraw/zinc/38/73/23/176387323.db2.gz AUJXZGKCAPMRFU-RITPCOANSA-N 0 0 226.226 2.142 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1ccccc1Cl ZINC000075526948 176399238 /nfs/dbraw/zinc/39/92/38/176399238.db2.gz OORWKJZMOOCKNU-KCJUWKMLSA-N 0 0 223.703 2.407 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000075529589 176399990 /nfs/dbraw/zinc/39/99/90/176399990.db2.gz LFLQSTKNAUIYTO-YGRLFVJLSA-N 0 0 229.323 2.242 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000075515515 176404202 /nfs/dbraw/zinc/40/42/02/176404202.db2.gz SCDXBUMRYLKSOT-MFKMUULPSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ccccc1C(N)=S ZINC000052292541 176406484 /nfs/dbraw/zinc/40/64/84/176406484.db2.gz ARRSGTBENRXIPG-XCBNKYQSSA-N 0 0 206.314 2.141 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113898457 176431131 /nfs/dbraw/zinc/43/11/31/176431131.db2.gz WUSXSLUYDGKIEN-YUSALJHKSA-N 0 0 233.315 2.119 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1sccc1OC(F)F ZINC000104406454 176446088 /nfs/dbraw/zinc/44/60/88/176446088.db2.gz BCNRWMSCNRCDPL-PHDIDXHHSA-N 0 0 247.266 2.488 10 0 BEAERN C[C@@H]1OCC[C@]12S[C@@H]1CCO[C@]1(C)S2 ZINC000005752359 176483654 /nfs/dbraw/zinc/48/36/54/176483654.db2.gz LGPJANFPSFABDB-SGIHWFKDSA-N 0 0 232.370 2.477 10 0 endogenous,in-man BEAERN C[C@@H]1SC(=N)NN=C1c1ccc(Cl)cc1 ZINC000040537944 176488389 /nfs/dbraw/zinc/48/83/89/176488389.db2.gz DYSYUQLDVAXNHU-LURJTMIESA-N 0 0 239.731 2.494 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CC1=CCCCC1 ZINC000336233853 176497595 /nfs/dbraw/zinc/49/75/95/176497595.db2.gz RBINPZHNIPBAPY-YPMHNXCESA-N 0 0 237.343 2.249 10 0 BEAERN C[C@@]([NH2+]C1CC1)(C(=O)[O-])c1ccccc1Cl ZINC000037183409 176512991 /nfs/dbraw/zinc/51/29/91/176512991.db2.gz JGOJQLMBOLWTJE-LBPRGKRZSA-N 0 0 239.702 2.392 10 0 BEAERN C[C@H](CNc1cccc2c1CCCC2)C(N)=O ZINC000037227182 176687494 /nfs/dbraw/zinc/68/74/94/176687494.db2.gz YWPDPIBFJOGIIQ-SNVBAGLBSA-N 0 0 232.327 2.099 10 0 BEAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)C1CC1 ZINC000117581001 176811345 /nfs/dbraw/zinc/81/13/45/176811345.db2.gz LCRNYCLIDYGUGO-PKFCDNJMSA-N 0 0 245.322 2.466 10 0 BEAERN C[C@@H](C(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000181950185 176811838 /nfs/dbraw/zinc/81/18/38/176811838.db2.gz UIKBYENWINJJOH-MBNYWOFBSA-N 0 0 247.338 2.474 10 0 BEAERN C[C@H](NC(=O)c1sccc1N)c1ccco1 ZINC000040303856 176824067 /nfs/dbraw/zinc/82/40/67/176824067.db2.gz DKFHWBNHUIYQJI-ZETCQYMHSA-N 0 0 236.296 2.414 10 0 BEAERN C[C@H](NCc1ncc[nH]1)c1cccc(F)c1 ZINC000049714735 176884018 /nfs/dbraw/zinc/88/40/18/176884018.db2.gz RBXLURCCRANDAH-VIFPVBQESA-N 0 0 219.263 2.400 10 0 BEAERN C[C@H](Nc1cccc(NC(N)=O)c1)c1cc[nH]n1 ZINC000037908153 176935806 /nfs/dbraw/zinc/93/58/06/176935806.db2.gz AREKHGQQXOLUOJ-QMMMGPOBSA-N 0 0 245.286 2.073 10 0 BEAERN C[C@H](Nc1cccc(F)n1)[C@@H]1CCCO1 ZINC000040712110 176936049 /nfs/dbraw/zinc/93/60/49/176936049.db2.gz PHLFDFHPFVWECG-IUCAKERBSA-N 0 0 210.252 2.200 10 0 BEAERN C[C@H](O)c1cc(Cl)ccc1OCCCO ZINC000041256766 177016526 /nfs/dbraw/zinc/01/65/26/177016526.db2.gz SZMQQGGKGXPXLG-QMMMGPOBSA-N 0 0 230.691 2.155 10 0 BEAERN C[C@H](O)c1cccc(NC(=O)[C@@H]2CCCCO2)c1 ZINC000050970672 177017363 /nfs/dbraw/zinc/01/73/63/177017363.db2.gz UBHKUGSMSFVKGR-GWCFXTLKSA-N 0 0 249.310 2.248 10 0 BEAERN C[C@H](O)c1cnc(-c2cccnc2)s1 ZINC000054160682 177017789 /nfs/dbraw/zinc/01/77/89/177017789.db2.gz GTSYDKJIKNHPEQ-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@H](O)c1ccccc1NC[C@@H]1CCOC1 ZINC000049542428 177018092 /nfs/dbraw/zinc/01/80/92/177018092.db2.gz BVZSLGJAOZVKCZ-QWRGUYRKSA-N 0 0 221.300 2.188 10 0 BEAERN C[C@H](O)c1ccccc1NCc1csnn1 ZINC000049542877 177018250 /nfs/dbraw/zinc/01/82/50/177018250.db2.gz ULQKRZLLAFZAPQ-QMMMGPOBSA-N 0 0 235.312 2.204 10 0 BEAERN C[C@H](O)c1cnn(-c2ccccc2)c1F ZINC000238856816 177018251 /nfs/dbraw/zinc/01/82/51/177018251.db2.gz XDBAGCDAHQMUHN-QMMMGPOBSA-N 0 0 206.220 2.065 10 0 BEAERN C[C@H](O)c1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000040390157 177018404 /nfs/dbraw/zinc/01/84/04/177018404.db2.gz GXEXZHZFGAUWAS-QWRGUYRKSA-N 0 0 246.310 2.269 10 0 BEAERN C[C@H](OC[C@H]1CCOC1)C(=O)c1ccccc1 ZINC000049690524 177021436 /nfs/dbraw/zinc/02/14/36/177021436.db2.gz UCCRVXPYBUBYRZ-RYUDHWBXSA-N 0 0 234.295 2.311 10 0 BEAERN C[C@H](OCc1ccccc1)C(=O)N[C@H]1C[C@H]1C ZINC000184701510 177021773 /nfs/dbraw/zinc/02/17/73/177021773.db2.gz PMXJVOYTTBXXQE-MDZLAQPJSA-N 0 0 233.311 2.116 10 0 BEAERN C[C@H](c1cccnc1)n1ncc(Cl)c1N ZINC000043665428 177046140 /nfs/dbraw/zinc/04/61/40/177046140.db2.gz TZJFYFGMCYAIOG-SSDOTTSWSA-N 0 0 222.679 2.123 10 0 BEAERN C[C@H](c1cccs1)N(C)c1ncc(N)cn1 ZINC000049727181 177048478 /nfs/dbraw/zinc/04/84/78/177048478.db2.gz KWBLPKBWLXWRIK-MRVPVSSYSA-N 0 0 234.328 2.318 10 0 BEAERN C[C@H]1CC(=O)[C@H](C)N(Cc2ccccc2)C1 ZINC000068592977 177062924 /nfs/dbraw/zinc/06/29/24/177062924.db2.gz FABAJOBMSRCVJN-RYUDHWBXSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CC(=O)[C@H](Sc2ccccc2)O1 ZINC000104846471 177063170 /nfs/dbraw/zinc/06/31/70/177063170.db2.gz IANCTICFMDICKN-KWQFWETISA-N 0 0 208.282 2.483 10 0 BEAERN C[C@H]1CC(=O)Oc2cc(N(C)C)ccc21 ZINC000021995794 177063244 /nfs/dbraw/zinc/06/32/44/177063244.db2.gz LBVGZPVDGHTNDS-QMMMGPOBSA-N 0 0 205.257 2.165 10 0 BEAERN C[C@H]1CCCCN1c1ncc(CO)s1 ZINC000054910341 177078979 /nfs/dbraw/zinc/07/89/79/177078979.db2.gz KKBAOTDYLHBYPI-QMMMGPOBSA-N 0 0 212.318 2.014 10 0 BEAERN C[C@H]1CCCC[C@H]1NC(=O)CCc1ccnn1C ZINC000118946836 177087989 /nfs/dbraw/zinc/08/79/89/177087989.db2.gz HCMOVFQCAGQBMJ-WCQYABFASA-N 0 0 249.358 2.048 10 0 BEAERN C[C@H]1CCCC[C@H]1Nc1ccc(=O)n(C)c1 ZINC000037785434 177089339 /nfs/dbraw/zinc/08/93/39/177089339.db2.gz BTBJBLXODODQHG-CMPLNLGQSA-N 0 0 220.316 2.376 10 0 BEAERN C[C@H]1CCCC[C@H]1OC(=O)c1cc(N)c[nH]1 ZINC000041046732 177089855 /nfs/dbraw/zinc/08/98/55/177089855.db2.gz PYPDVSIUHMOSKF-GZMMTYOYSA-N 0 0 222.288 2.332 10 0 BEAERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(N)cc(N)c1 ZINC000050563201 177094238 /nfs/dbraw/zinc/09/42/38/177094238.db2.gz TVUDGTDLOVJNNB-VHSXEESVSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@H]1CCCN(C(=O)c2ccc3c[nH]nc3c2)C1 ZINC000060393101 177095296 /nfs/dbraw/zinc/09/52/96/177095296.db2.gz BMYPBDFIPVEBDF-JTQLQIEISA-N 0 0 243.310 2.435 10 0 BEAERN C[C@H]1CCCN1C(=O)N[C@H]1COc2ccccc21 ZINC000176042326 177107024 /nfs/dbraw/zinc/10/70/24/177107024.db2.gz QHSJLHXBMWPKDX-JQWIXIFHSA-N 0 0 246.310 2.314 10 0 BEAERN C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCN2 ZINC000037912050 177108356 /nfs/dbraw/zinc/10/83/56/177108356.db2.gz BVHHPORQRGFEKU-JTQLQIEISA-N 0 0 230.311 2.279 10 0 BEAERN C[C@H]1CCC[N@@H+]1C1(C(=O)[O-])CCCCC1 ZINC000041838944 177108944 /nfs/dbraw/zinc/10/89/44/177108944.db2.gz ZBVAWDNGDYAQEX-JTQLQIEISA-N 0 0 211.305 2.258 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2F)[NH2+]1 ZINC000019509171 177114294 /nfs/dbraw/zinc/11/42/94/177114294.db2.gz NPZYWUWVHUZOLS-CABZTGNLSA-N 0 0 236.290 2.295 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(N)c[nH]1 ZINC000036861484 177115704 /nfs/dbraw/zinc/11/57/04/177115704.db2.gz CPZBMAKRBDQUJV-DTORHVGOSA-N 0 0 221.304 2.000 10 0 BEAERN C[C@H]1CCC[C@@](C(=O)[O-])([NH+]2CCCC2)C1 ZINC000037359588 177127472 /nfs/dbraw/zinc/12/74/72/177127472.db2.gz VSLUUOFUNHKVIF-CMPLNLGQSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1CCC[C@H](N(C)Cc2nnsc2N)C1 ZINC000050815456 177135113 /nfs/dbraw/zinc/13/51/13/177135113.db2.gz BOAUKDHGUFTXDG-IUCAKERBSA-N 0 0 240.376 2.131 10 0 BEAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(N)nc1 ZINC000050698514 177136087 /nfs/dbraw/zinc/13/60/87/177136087.db2.gz AUMLUIQYKHJSGA-UMNHJUIQSA-N 0 0 247.342 2.218 10 0 BEAERN C[C@H]1CCO[C@@H](COc2ccccc2)O1 ZINC000038648054 177178331 /nfs/dbraw/zinc/17/83/31/177178331.db2.gz ACCCAQVFLWDUTB-CMPLNLGQSA-N 0 0 208.257 2.217 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)O1 ZINC000122304258 177197472 /nfs/dbraw/zinc/19/74/72/177197472.db2.gz CBWMPISVDMTGEH-JOYOIKCWSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CCS1 ZINC000121841287 177211483 /nfs/dbraw/zinc/21/14/83/177211483.db2.gz XVSRYGQOKKYKJU-VIFPVBQESA-N 0 0 239.384 2.387 10 0 BEAERN C[C@H]1CN(C(=O)Nc2cccnc2)CCS1 ZINC000171722187 177221328 /nfs/dbraw/zinc/22/13/28/177221328.db2.gz VTFPOPFFTYNXSP-VIFPVBQESA-N 0 0 237.328 2.051 10 0 BEAERN C[C@H]1CN(C(=O)[C@@H]2CCCSC2)CCS1 ZINC000336396280 177222846 /nfs/dbraw/zinc/22/28/46/177222846.db2.gz CPSRECGPQUGUSX-VHSXEESVSA-N 0 0 245.413 2.094 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccccc1F ZINC000040634496 177298237 /nfs/dbraw/zinc/29/82/37/177298237.db2.gz OBOYLOHNVICYRK-AOOOYVTPSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccc(F)cc1 ZINC000077365877 177299613 /nfs/dbraw/zinc/29/96/13/177299613.db2.gz TVUZHWOABBDPTF-PHIMTYICSA-N 0 0 223.291 2.435 10 0 BEAERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)N(C)C ZINC000041424171 177300751 /nfs/dbraw/zinc/30/07/51/177300751.db2.gz LPDYRJPGMIDCQW-WCQYABFASA-N 0 0 248.326 2.130 10 0 BEAERN C[C@@H]1C[C@H](C)C(=O)CN1Cc1ccccc1 ZINC000068592972 177319234 /nfs/dbraw/zinc/31/92/34/177319234.db2.gz LLKQSLKJBCYCMG-NWDGAFQWSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(F)ccc1N ZINC000104419056 177342719 /nfs/dbraw/zinc/34/27/19/177342719.db2.gz DZMOXEKEGNJMNK-DTWKUNHWSA-N 0 0 236.290 2.136 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)CCc1cccs1 ZINC000176344749 177347070 /nfs/dbraw/zinc/34/70/70/177347070.db2.gz LVBXSUJNVGZQCX-ONGXEEELSA-N 0 0 238.356 2.340 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCCC1=CCCC1 ZINC000120016248 177347502 /nfs/dbraw/zinc/34/75/02/177347502.db2.gz XBQVQEQSJAPRMI-ONGXEEELSA-N 0 0 208.305 2.194 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1O ZINC000052293458 177347829 /nfs/dbraw/zinc/34/78/29/177347829.db2.gz WOHROQLXBLICLA-RCOVLWMOSA-N 0 0 225.675 2.184 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccnc(Cl)c1 ZINC000181854355 177348295 /nfs/dbraw/zinc/34/82/95/177348295.db2.gz FKPXHHHJVCCQDM-XPUUQOCRSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1c(Cl)nc2ccccn21 ZINC000171050148 177348372 /nfs/dbraw/zinc/34/83/72/177348372.db2.gz TXKFBXOSIUHBKJ-YUMQZZPRSA-N 0 0 249.701 2.126 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000075520281 177348717 /nfs/dbraw/zinc/34/87/17/177348717.db2.gz RNZBMSTWOGRQSL-ZANVPECISA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000052299174 177348721 /nfs/dbraw/zinc/34/87/21/177348721.db2.gz VWRXEPWIGFIUDV-KWQFWETISA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000075528526 177348740 /nfs/dbraw/zinc/34/87/40/177348740.db2.gz MIUKLJBWWCJWCM-XVKPBYJWSA-N 0 0 241.237 2.426 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000082563454 177349248 /nfs/dbraw/zinc/34/92/48/177349248.db2.gz WSFMBDRDPVYGTA-UFBFGSQYSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@@H]1Nc1cc(NCC2CC2)ncn1 ZINC000301830064 177350972 /nfs/dbraw/zinc/35/09/72/177350972.db2.gz PMDLKCHAKLXUHK-WPRPVWTQSA-N 0 0 218.304 2.119 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1ccsc1 ZINC000075526751 177382512 /nfs/dbraw/zinc/38/25/12/177382512.db2.gz LSAKASFGABYOKV-WCBMZHEXSA-N 0 0 209.314 2.205 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)CCOc1ccccc1 ZINC000075982505 177383356 /nfs/dbraw/zinc/38/33/56/177383356.db2.gz YQVNHSVOVIXAJZ-WCQYABFASA-N 0 0 248.326 2.115 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000122917546 177384334 /nfs/dbraw/zinc/38/43/34/177384334.db2.gz CCYVYFLVWWIFLA-YLWLKBPMSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(F)c(F)cc1F ZINC000129425689 177384579 /nfs/dbraw/zinc/38/45/79/177384579.db2.gz LFKACPLKFPEHDH-XUOSJQGZSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(F)ccc1F ZINC000075526577 177384584 /nfs/dbraw/zinc/38/45/84/177384584.db2.gz DRJORKRWXKTAGE-QUBYGPBYSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000075528529 177384676 /nfs/dbraw/zinc/38/46/76/177384676.db2.gz MIUKLJBWWCJWCM-OIBJUYFYSA-N 0 0 241.237 2.426 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccoc1Br ZINC000193320282 177385574 /nfs/dbraw/zinc/38/55/74/177385574.db2.gz HSTPWDZPHKHSAE-CAHLUQPWSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[NH2+]1 ZINC000019426700 177389430 /nfs/dbraw/zinc/38/94/30/177389430.db2.gz IYTBDYNESDWFOW-WCQYABFASA-N 0 0 244.338 2.106 10 0 BEAERN C[C@H]1Cc2ccccc2N1Cc1nnc(N)s1 ZINC000036239376 177390347 /nfs/dbraw/zinc/39/03/47/177390347.db2.gz HYJCFORFCWMTPX-QMMMGPOBSA-N 0 0 246.339 2.072 10 0 BEAERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC1 ZINC000111899102 177391199 /nfs/dbraw/zinc/39/11/99/177391199.db2.gz VOAKMRWWQIMSCB-GWCFXTLKSA-N 0 0 230.311 2.335 10 0 BEAERN C[C@H]1N(OCc2ccccc2)C(=O)C1(C)C ZINC000039411299 177392068 /nfs/dbraw/zinc/39/20/68/177392068.db2.gz RZCBRXGAGLKPGE-SNVBAGLBSA-N 0 0 219.284 2.375 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000134268899 177406304 /nfs/dbraw/zinc/40/63/04/177406304.db2.gz LRKJMZXXLYQNJJ-MWLCHTKSSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)C1(C)CCCCC1 ZINC000336233912 177420723 /nfs/dbraw/zinc/42/07/23/177420723.db2.gz ZFJQMHBFDFVUJU-RYUDHWBXSA-N 0 0 239.359 2.329 10 0 BEAERN C[C@]([NH3+])(Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000238515549 177444399 /nfs/dbraw/zinc/44/43/99/177444399.db2.gz SHXAYBUKDCBRIR-JTQLQIEISA-N 0 0 248.109 2.338 10 0 BEAERN C[C@]1(c2ccccc2)NC(=S)C(=O)S1 ZINC000039110630 177479978 /nfs/dbraw/zinc/47/99/78/177479978.db2.gz CERZGWBCZXUJER-JTQLQIEISA-N 0 0 223.322 2.461 10 0 BEAERN Cc1c(C(=O)N[C@H]2C[C@H]2C)oc2c1C(=O)CCC2 ZINC000075515026 177569744 /nfs/dbraw/zinc/56/97/44/177569744.db2.gz DVCVCQTVHOSFDW-APPZFPTMSA-N 0 0 247.294 2.245 10 0 BEAERN Cc1c(Cl)ccc(NC(N)=O)c1F ZINC000075903276 177598456 /nfs/dbraw/zinc/59/84/56/177598456.db2.gz QILWHCPTIYRAEN-UHFFFAOYSA-N 0 0 202.616 2.278 10 0 BEAERN Cc1c(F)cccc1-c1cc(=O)cc[nH]1 ZINC000065355686 177606728 /nfs/dbraw/zinc/60/67/28/177606728.db2.gz CZXRBRWBCRUGGP-UHFFFAOYSA-N 0 0 203.216 2.489 10 0 BEAERN Cc1c(N)cc(N)cc1NC(=O)c1ccccc1 ZINC000000049898 177611015 /nfs/dbraw/zinc/61/10/15/177611015.db2.gz QIMZXWNPBZOPNS-UHFFFAOYSA-N 0 0 241.294 2.412 10 0 BEAERN Cc1nccn1Cc1cccc(N)c1C ZINC000035649184 177613365 /nfs/dbraw/zinc/61/33/65/177613365.db2.gz PLFHVMCVFAVJGI-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1c(N)cccc1N1CCCO[C@@H](C)C1 ZINC000062725506 177613990 /nfs/dbraw/zinc/61/39/90/177613990.db2.gz DCHDNKSHHMOYAJ-JTQLQIEISA-N 0 0 220.316 2.192 10 0 BEAERN Cc1c(N)cccc1NC[C@@H]1CCCOC1 ZINC000062725202 177614076 /nfs/dbraw/zinc/61/40/76/177614076.db2.gz WMSKCEMEPQUZFD-NSHDSACASA-N 0 0 220.316 2.416 10 0 BEAERN O=C(CF)c1ccc(Br)cc1O ZINC000169795982 487653761 /nfs/dbraw/zinc/65/37/61/487653761.db2.gz JUCUQDIXNUEOKK-UHFFFAOYSA-N 0 0 233.036 2.307 10 0 BEAERN OC[C@H](O)CSCC/C=C\c1ccccc1 ZINC000323556186 262745197 /nfs/dbraw/zinc/74/51/97/262745197.db2.gz HNJFTRORJVYNDU-UKOWJOKBSA-N 0 0 238.352 2.176 10 0 BEAERN O=c1cc2c(n[nH]1)CN(Cc1ccccc1)C2 ZINC000307600191 229217072 /nfs/dbraw/zinc/21/70/72/229217072.db2.gz QSXNVWQNNYUZPW-UHFFFAOYSA-N 0 0 227.267 2.139 10 0 BEAERN O[C@@H]1CCC[C@H](CN2CCC[C@H]2C(F)F)C1 ZINC000660149496 487698004 /nfs/dbraw/zinc/69/80/04/487698004.db2.gz YLHQKGCQISSPMT-AXFHLTTASA-N 0 0 233.302 2.267 10 0 BEAERN CCC(CC)C(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398689729 262765930 /nfs/dbraw/zinc/76/59/30/262765930.db2.gz BTOMEUHWHIFONV-AVGNSLFASA-N 0 0 239.359 2.042 10 0 BEAERN CCC(CC)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398689737 262766142 /nfs/dbraw/zinc/76/61/42/262766142.db2.gz BTOMEUHWHIFONV-YNEHKIRRSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1CC[C@H](O)CN1c1nc2ccccc2o1 ZINC000399342114 262782306 /nfs/dbraw/zinc/78/23/06/262782306.db2.gz UCHBLDPXUJELAX-UWVGGRQHSA-N 0 0 232.283 2.177 10 0 BEAERN CC(C)NC(=O)CNc1ccc2ccccc2n1 ZINC000035137336 262840000 /nfs/dbraw/zinc/84/00/00/262840000.db2.gz FCRIQMCWVGWARR-UHFFFAOYSA-N 0 0 243.310 2.171 10 0 BEAERN CCn1nccc1-c1ccc(C)cc1N ZINC000134872496 487712475 /nfs/dbraw/zinc/71/24/75/487712475.db2.gz AALJQCPBBXGRHG-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN Cc1nn(C)cc1-c1ccc(N)cc1C ZINC000085017697 487713197 /nfs/dbraw/zinc/71/31/97/487713197.db2.gz BQUYZTCVDUVPOW-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250245103 487728072 /nfs/dbraw/zinc/72/80/72/487728072.db2.gz SUFPBMYKLLKDNT-ZSBIGDGJSA-N 0 0 219.284 2.284 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCC[C@@H](O)C1 ZINC000665692723 487731435 /nfs/dbraw/zinc/73/14/35/487731435.db2.gz ONUNYNYEOJYETA-GHMZBOCLSA-N 0 0 235.331 2.315 10 0 BEAERN CC(C)c1nsc(N2C[C@H](O)CC[C@@H]2C)n1 ZINC000399245264 487741923 /nfs/dbraw/zinc/74/19/23/487741923.db2.gz IFUNZBYWBUZMLM-DTWKUNHWSA-N 0 0 241.360 2.011 10 0 BEAERN Cc1nc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000250894500 487742971 /nfs/dbraw/zinc/74/29/71/487742971.db2.gz GYMCHFYLTCBJPE-ILWJIGKKSA-N 0 0 236.340 2.114 10 0 BEAERN O=C(NCCOC1CCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251094329 487748458 /nfs/dbraw/zinc/74/84/58/487748458.db2.gz IUNQJJXZIQDVOP-ZSBIGDGJSA-N 0 0 237.343 2.108 10 0 BEAERN C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251535546 487766354 /nfs/dbraw/zinc/76/63/54/487766354.db2.gz KNNLQRYVAOHVQQ-KXGXSXBTSA-N 0 0 207.317 2.289 10 0 BEAERN CC(C)c1nn(C)cc1N[C@H](C)c1nccn1C ZINC000302197380 487774596 /nfs/dbraw/zinc/77/45/96/487774596.db2.gz SRRKOBOVKCGICS-SNVBAGLBSA-N 0 0 247.346 2.450 10 0 BEAERN CC(C)OC(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000496808837 527820387 /nfs/dbraw/zinc/82/03/87/527820387.db2.gz FNFQNPLTZWOXJP-UWVGGRQHSA-N 0 0 229.320 2.325 10 0 BEAERN COCc1csc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000668088990 487832377 /nfs/dbraw/zinc/83/23/77/487832377.db2.gz KTWXEGIKCVYRBZ-APPZFPTMSA-N 0 0 225.313 2.033 10 0 BEAERN CCCc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000252816026 487834351 /nfs/dbraw/zinc/83/43/51/487834351.db2.gz VZEZYFXEOYZXBC-ILWJIGKKSA-N 0 0 233.315 2.347 10 0 BEAERN C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000252914689 487838519 /nfs/dbraw/zinc/83/85/19/487838519.db2.gz ROWRHYNKPZQURD-KXGXSXBTSA-N 0 0 207.317 2.195 10 0 BEAERN COc1cc(NCC2(C)CCC2)ncn1 ZINC000126521981 322960185 /nfs/dbraw/zinc/96/01/85/322960185.db2.gz TUZUEWWWDVUYNR-UHFFFAOYSA-N 0 0 207.277 2.087 10 0 BEAERN CC[C@@H]1CC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304149678 487873991 /nfs/dbraw/zinc/87/39/91/487873991.db2.gz CDCRHKKYBWYEIF-SNVBAGLBSA-N 0 0 234.299 2.012 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCc1cccnc1 ZINC000052834838 487937250 /nfs/dbraw/zinc/93/72/50/487937250.db2.gz CDUQPRPVCWUVPY-LLVKDONJSA-N 0 0 220.316 2.175 10 0 BEAERN COc1cc(N)cc(Br)c1OC ZINC000147059775 487944315 /nfs/dbraw/zinc/94/43/15/487944315.db2.gz YRRIKASOUWTRID-UHFFFAOYSA-N 0 0 232.077 2.049 10 0 BEAERN C[C@@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])CC1 ZINC000302341390 487956380 /nfs/dbraw/zinc/95/63/80/487956380.db2.gz MBGKHUYTMPUVSK-LLVKDONJSA-N 0 0 248.326 2.402 10 0 BEAERN CC(C)OC(=O)N[C@H]1CCCSC1 ZINC000127844454 323005763 /nfs/dbraw/zinc/00/57/63/323005763.db2.gz DGMYPWBYQUZMNC-QMMMGPOBSA-N 0 0 203.307 2.017 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)c2ccc(F)cc2)O1 ZINC000133571567 323019241 /nfs/dbraw/zinc/01/92/41/323019241.db2.gz RUESQPIMOZOVDP-CABZTGNLSA-N 0 0 237.274 2.356 10 0 BEAERN Cc1cccc(CNc2nccnc2C(C)C)n1 ZINC000570420834 323059038 /nfs/dbraw/zinc/05/90/38/323059038.db2.gz HRDOUCNAQUSCJN-UHFFFAOYSA-N 0 0 242.326 2.337 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(c2nccc3ccccc32)C1 ZINC000401530735 323080212 /nfs/dbraw/zinc/08/02/12/323080212.db2.gz HZBJNBMXQHYEFQ-DGCLKSJQSA-N 0 0 242.322 2.442 10 0 BEAERN CC1CC(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)C1 ZINC000540870639 323088544 /nfs/dbraw/zinc/08/85/44/323088544.db2.gz GEHIZIBMLJJUTA-TUUUFIMRSA-N 0 0 249.354 2.393 10 0 BEAERN Cc1cccnc1NC(=O)N(C)C[C@@H]1CCCO1 ZINC000049028627 323156915 /nfs/dbraw/zinc/15/69/15/323156915.db2.gz KNIUTNGTQHUYCJ-NSHDSACASA-N 0 0 249.314 2.033 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)Nc1ccnn1C ZINC000112010470 323164691 /nfs/dbraw/zinc/16/46/91/323164691.db2.gz WRXOZFFBYGFIHC-LLVKDONJSA-N 0 0 243.310 2.237 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C2CC2)C2CCCC2)O1 ZINC000152400712 323180707 /nfs/dbraw/zinc/18/07/07/323180707.db2.gz NILIYDXGQKEBCA-GWCFXTLKSA-N 0 0 237.343 2.488 10 0 BEAERN C[C@@H](C(=O)NC[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000399090100 323196600 /nfs/dbraw/zinc/19/66/00/323196600.db2.gz WPPUHNSGWURRRX-VHSXEESVSA-N 0 0 229.364 2.192 10 0 BEAERN C[C@H](C(=O)NC[C@H](O)C(C)(C)C)C(C)(C)C ZINC000399090102 323196707 /nfs/dbraw/zinc/19/67/07/323196707.db2.gz WPPUHNSGWURRRX-ZJUUUORDSA-N 0 0 229.364 2.192 10 0 BEAERN Nc1nc2c(c(Cl)n1)CN(c1ccccc1)C2 ZINC000536558966 323197286 /nfs/dbraw/zinc/19/72/86/323197286.db2.gz NFMYSRLPVWOLEG-UHFFFAOYSA-N 0 0 246.701 2.063 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@@H](O)CC[C@@H]2C)cc1 ZINC000399259856 323202273 /nfs/dbraw/zinc/20/22/73/323202273.db2.gz OBGPMCZQRWLORO-AAEUAGOBSA-N 0 0 248.326 2.372 10 0 BEAERN C[C@@H]1CC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536954294 323962446 /nfs/dbraw/zinc/96/24/46/323962446.db2.gz LTXJIARQZMFLFV-PELKAZGASA-N 0 0 222.288 2.041 10 0 BEAERN CCC(CC)(C(=O)OC)c1nccs1 ZINC000536954997 323964347 /nfs/dbraw/zinc/96/43/47/323964347.db2.gz OJZODGJONPCJGX-UHFFFAOYSA-N 0 0 213.302 2.374 10 0 BEAERN COC(=O)c1c(C(C)C)nc2n1CCCC2 ZINC000536956380 323967079 /nfs/dbraw/zinc/96/70/79/323967079.db2.gz ZZHHEVWXUIYMBT-UHFFFAOYSA-N 0 0 222.288 2.129 10 0 BEAERN CC(C)c1noc(C[C@@]2(O)CC[C@H](C)C2)n1 ZINC000536956210 323967249 /nfs/dbraw/zinc/96/72/49/323967249.db2.gz VDAOSWCSPLQWRQ-JOYOIKCWSA-N 0 0 224.304 2.287 10 0 BEAERN Nc1nc(OC2CC2)cc2ccccc21 ZINC000536959662 323971851 /nfs/dbraw/zinc/97/18/51/323971851.db2.gz QJEYRKXHHIWCLT-UHFFFAOYSA-N 0 0 200.241 2.189 10 0 BEAERN CC(C)(C)OC(=O)CSC[C@@H](O)C(C)(C)C ZINC000304256927 324187148 /nfs/dbraw/zinc/18/71/48/324187148.db2.gz SIRBHYKAVYQFGY-SECBINFHSA-N 0 0 248.388 2.468 10 0 BEAERN COc1ccc2cccnc2c1[C@H](C)O ZINC000521401803 324201796 /nfs/dbraw/zinc/20/17/96/324201796.db2.gz QBNCTZZPCANVRY-QMMMGPOBSA-N 0 0 203.241 2.297 10 0 BEAERN Cc1cc(S(=O)(=O)NCC(C)C)c(C)s1 ZINC000032548682 324215963 /nfs/dbraw/zinc/21/59/63/324215963.db2.gz CRKMHHLJESRDRJ-UHFFFAOYSA-N 0 0 247.385 2.299 10 0 BEAERN CC(C)OC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000127226655 324755563 /nfs/dbraw/zinc/75/55/63/324755563.db2.gz RYQHLJPKSIXXPP-VIFPVBQESA-N 0 0 215.293 2.031 10 0 BEAERN CC(C)OC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000127440087 324767532 /nfs/dbraw/zinc/76/75/32/324767532.db2.gz PSOYLPSRBNQCNN-RKDXNWHRSA-N 0 0 217.334 2.357 10 0 BEAERN CC[C@H](O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000127571704 324775069 /nfs/dbraw/zinc/77/50/69/324775069.db2.gz POPACBWDOPVWBO-MJBXVCDLSA-N 0 0 247.338 2.067 10 0 BEAERN CC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000127786914 324787549 /nfs/dbraw/zinc/78/75/49/324787549.db2.gz CARSREGKXHANTA-RNCFNFMXSA-N 0 0 247.294 2.395 10 0 BEAERN CC(C)OC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000127865056 324792243 /nfs/dbraw/zinc/79/22/43/324792243.db2.gz FWTKKDXRLNOUPY-DTWKUNHWSA-N 0 0 217.334 2.357 10 0 BEAERN CC(C)c1nsc(NC(C)(C)[C@@H](C)O)n1 ZINC000128152409 324809350 /nfs/dbraw/zinc/80/93/50/324809350.db2.gz QRCOROAGJDNNPT-SSDOTTSWSA-N 0 0 229.349 2.233 10 0 BEAERN CSCCCC(=O)NCCCC(C)(C)CO ZINC000130468206 325054812 /nfs/dbraw/zinc/05/48/12/325054812.db2.gz BECQFCVCXINFQC-UHFFFAOYSA-N 0 0 247.404 2.045 10 0 BEAERN CSCCCCNC(=O)c1cncc(F)c1 ZINC000130800303 325090375 /nfs/dbraw/zinc/09/03/75/325090375.db2.gz VIAGFFFLFBRXSN-UHFFFAOYSA-N 0 0 242.319 2.094 10 0 BEAERN COc1ncccc1C(=O)NCCC1=CCCC1 ZINC000130955650 325103777 /nfs/dbraw/zinc/10/37/77/325103777.db2.gz KYOWIFOTQSDUNS-UHFFFAOYSA-N 0 0 246.310 2.320 10 0 BEAERN O=C(COCC1CC1)NCCC1=CCCC1 ZINC000130976788 325105171 /nfs/dbraw/zinc/10/51/71/325105171.db2.gz HBUQFCQYUGZPEU-UHFFFAOYSA-N 0 0 223.316 2.030 10 0 BEAERN CCCCNC(=O)[C@H](C)SC1CCOCC1 ZINC000131057394 325111638 /nfs/dbraw/zinc/11/16/38/325111638.db2.gz ZRDBZKGNRWBJJM-JTQLQIEISA-N 0 0 245.388 2.203 10 0 BEAERN C[C@H](SC1CCOCC1)C(=O)NC(C)(C)C ZINC000131080445 325113026 /nfs/dbraw/zinc/11/30/26/325113026.db2.gz GFZVWPPWCLPPFW-VIFPVBQESA-N 0 0 245.388 2.202 10 0 BEAERN CCN(CC)C(=O)[C@@H](C)SC1CCOCC1 ZINC000131145833 325121365 /nfs/dbraw/zinc/12/13/65/325121365.db2.gz KYFQDAXJVPWLCH-SNVBAGLBSA-N 0 0 245.388 2.156 10 0 BEAERN Cc1ccncc1NC(=O)[C@H](C)C1CCOCC1 ZINC000131192658 325124538 /nfs/dbraw/zinc/12/45/38/325124538.db2.gz ZGTOUUHDYVXBPW-LLVKDONJSA-N 0 0 248.326 2.391 10 0 BEAERN CCC(CC)CC(=O)N1[C@H](C)COC[C@H]1C ZINC000131280355 325133596 /nfs/dbraw/zinc/13/35/96/325133596.db2.gz VJYYMSFIRKDTRP-GHMZBOCLSA-N 0 0 227.348 2.449 10 0 BEAERN Cc1cnn(CCC(=O)NCCC2=CCCC2)c1 ZINC000131695908 325177897 /nfs/dbraw/zinc/17/78/97/325177897.db2.gz XGFYZVSTXFVOTR-UHFFFAOYSA-N 0 0 247.342 2.198 10 0 BEAERN O=C(N[C@H]1CCCC[C@H]1O)C1=CCCCCC1 ZINC000131844587 325186599 /nfs/dbraw/zinc/18/65/99/325186599.db2.gz NTJXXLIIYOXAPA-QWHCGFSZSA-N 0 0 237.343 2.297 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)c2ccc(F)cc2)O1 ZINC000133571147 325301627 /nfs/dbraw/zinc/30/16/27/325301627.db2.gz RUESQPIMOZOVDP-JOYOIKCWSA-N 0 0 237.274 2.356 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2c(F)cccc2F)O1 ZINC000134093576 325342561 /nfs/dbraw/zinc/34/25/61/325342561.db2.gz UIJKVENRZYMPPG-XCBNKYQSSA-N 0 0 241.237 2.471 10 0 BEAERN Cc1cc(OCC(=O)NC(C)(C)C)ccc1F ZINC000134283322 325352472 /nfs/dbraw/zinc/35/24/72/325352472.db2.gz GAALSRIQBIEZOJ-UHFFFAOYSA-N 0 0 239.290 2.428 10 0 BEAERN CC(C)c1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)n[nH]1 ZINC000135063880 325391519 /nfs/dbraw/zinc/39/15/19/325391519.db2.gz VGUQPJKKSYNWCT-SCZZXKLOSA-N 0 0 237.303 2.039 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000252788954 325696683 /nfs/dbraw/zinc/69/66/83/325696683.db2.gz SLFLBPULHPUBIB-VWYCJHECSA-N 0 0 225.332 2.106 10 0 BEAERN CCc1oc(C(=O)N[C@H]2C[C@@H]2C)cc1C ZINC000154053027 326127264 /nfs/dbraw/zinc/12/72/64/326127264.db2.gz MQNNSEWIXWDVIU-CBAPKCEASA-N 0 0 207.273 2.289 10 0 BEAERN CCC[C@@H]1CCCN(C(=O)[C@H](C)COC)C1 ZINC000155414937 326195414 /nfs/dbraw/zinc/19/54/14/326195414.db2.gz KUKNTONYWYXJCN-VXGBXAGGSA-N 0 0 227.348 2.308 10 0 BEAERN COC(=O)c1c(C)cncc1-c1ccncc1 ZINC000147190387 487974426 /nfs/dbraw/zinc/97/44/26/487974426.db2.gz AFCVFRRWRKDUFD-UHFFFAOYSA-N 0 0 228.251 2.239 10 0 BEAERN CCOCC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000070251063 488001855 /nfs/dbraw/zinc/00/18/55/488001855.db2.gz LNCOJBAHVIAUAU-QMMMGPOBSA-N 0 0 243.253 2.179 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000112860114 488018281 /nfs/dbraw/zinc/01/82/81/488018281.db2.gz FVCYHSFOOUFRLR-VIFPVBQESA-N 0 0 232.283 2.389 10 0 BEAERN CO[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000034564557 488055370 /nfs/dbraw/zinc/05/53/70/488055370.db2.gz SAPQRBJCIZEQPH-LBPRGKRZSA-N 0 0 235.283 2.392 10 0 BEAERN CC(F)(F)CCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000677576253 488078215 /nfs/dbraw/zinc/07/82/15/488078215.db2.gz WRWJPQWGPVUONO-ZJUUUORDSA-N 0 0 249.301 2.089 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000230361265 488091940 /nfs/dbraw/zinc/09/19/40/488091940.db2.gz PLQVXALXPMKQEF-ZYHUDNBSSA-N 0 0 209.289 2.034 10 0 BEAERN C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@H](C)C(=O)[O-] ZINC000093030285 488117039 /nfs/dbraw/zinc/11/70/39/488117039.db2.gz LGIANOFFEUUEKM-NHCYSSNCSA-N 0 0 233.311 2.025 10 0 BEAERN O[C@H]1CCC[C@@H](CN2CCCC(F)(F)C2)C1 ZINC000405109380 487474771 /nfs/dbraw/zinc/47/47/71/487474771.db2.gz MPEADNOAJCNXAJ-MNOVXSKESA-N 0 0 233.302 2.269 10 0 BEAERN CCC(C)(C)CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000673906588 487475382 /nfs/dbraw/zinc/47/53/82/487475382.db2.gz RMWBPPWHKVMYRP-WDEREUQCSA-N 0 0 227.348 2.232 10 0 BEAERN CC(C)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405384408 487482949 /nfs/dbraw/zinc/48/29/49/487482949.db2.gz FNFXYALHDNPERD-GHMZBOCLSA-N 0 0 225.332 2.218 10 0 BEAERN Cc1cscc1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000674083140 487513364 /nfs/dbraw/zinc/51/33/64/487513364.db2.gz RIJUAGIVPJLKGU-UWVGGRQHSA-N 0 0 239.340 2.090 10 0 BEAERN OCC1(CNc2nccc3sccc32)CC1 ZINC000118907663 487516079 /nfs/dbraw/zinc/51/60/79/487516079.db2.gz REHWKURXVPLFBA-UHFFFAOYSA-N 0 0 234.324 2.481 10 0 BEAERN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250042011 487726622 /nfs/dbraw/zinc/72/66/22/487726622.db2.gz YFEWWVSBVMUVDV-ILWJIGKKSA-N 0 0 245.278 2.400 10 0 BEAERN CCn1nc(C)cc1-c1ccc(N)cc1 ZINC000257823551 488089273 /nfs/dbraw/zinc/08/92/73/488089273.db2.gz FAYCUOXZRDACST-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN Cc1sc(-c2ccncc2)nc1CCO ZINC000039040220 488153041 /nfs/dbraw/zinc/15/30/41/488153041.db2.gz BJLJZZUVNDIVAW-UHFFFAOYSA-N 0 0 220.297 2.048 10 0 BEAERN COc1ncccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667912331 488154430 /nfs/dbraw/zinc/15/44/30/488154430.db2.gz DUZUZSYXJSZDFC-ZYHUDNBSSA-N 0 0 234.299 2.070 10 0 BEAERN Cc1cncc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667912385 488154679 /nfs/dbraw/zinc/15/46/79/488154679.db2.gz HDTOJHBGWLIBOU-QWHCGFSZSA-N 0 0 218.300 2.369 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2CO[C@@H](C3CC3)C2)o1 ZINC000667949530 488166418 /nfs/dbraw/zinc/16/64/18/488166418.db2.gz IIPYRGPTYSADLI-ZMLRMANQSA-N 0 0 236.315 2.201 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)N(C)C ZINC000053909297 488173356 /nfs/dbraw/zinc/17/33/56/488173356.db2.gz SSYDECNXDKYRSG-JTQLQIEISA-N 0 0 206.289 2.327 10 0 BEAERN CCc1ccccc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000130390626 490385257 /nfs/dbraw/zinc/38/52/57/490385257.db2.gz DFLOUTRQZMRCAL-TXEJJXNPSA-N 0 0 247.338 2.498 10 0 BEAERN COc1ccnc(C(=O)NCCC2=CCCC2)c1 ZINC000131005808 490467049 /nfs/dbraw/zinc/46/70/49/490467049.db2.gz VOVYIALYEFSSEX-UHFFFAOYSA-N 0 0 246.310 2.320 10 0 BEAERN CC(C)(C)[C@H](O)CNc1ncnc2c1CCCC2 ZINC000129195440 490606817 /nfs/dbraw/zinc/60/68/17/490606817.db2.gz PFFAGPYYXFNFAN-GFCCVEGCSA-N 0 0 249.358 2.174 10 0 BEAERN CCCCCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000220588037 490618599 /nfs/dbraw/zinc/61/85/99/490618599.db2.gz YYEUHHPFMYPLFZ-LLVKDONJSA-N 0 0 249.358 2.129 10 0 BEAERN Cc1cccc2c1CCN2C[C@H](O)C(F)(F)F ZINC000121558762 491106395 /nfs/dbraw/zinc/10/63/95/491106395.db2.gz XFPIDQWMDOPLAK-NSHDSACASA-N 0 0 245.244 2.281 10 0 BEAERN COc1cccc([C@@H](C)[NH2+]C2CSC2)c1 ZINC000215965968 491124806 /nfs/dbraw/zinc/12/48/06/491124806.db2.gz LKIIREOFXJQPRZ-SECBINFHSA-N 0 0 223.341 2.461 10 0 BEAERN CCC1(NC(=O)[C@H]2CCCCO2)CCC1 ZINC000132220526 491134710 /nfs/dbraw/zinc/13/47/10/491134710.db2.gz GMPCIZJTTJQHSI-SNVBAGLBSA-N 0 0 211.305 2.004 10 0 BEAERN COc1ccc(C)nc1N[C@@H](C)[C@@H](C)OC ZINC000134307537 491163003 /nfs/dbraw/zinc/16/30/03/491163003.db2.gz UJHDYICSDWMWMT-VHSXEESVSA-N 0 0 224.304 2.234 10 0 BEAERN Cn1nc(C(C)(C)C)nc1-c1ccc(N)s1 ZINC000104925236 582459495 /nfs/dbraw/zinc/45/94/95/582459495.db2.gz KLZWAMQXEFOOGH-UHFFFAOYSA-N 0 0 236.344 2.423 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)C1CCCCC1 ZINC000234596297 582461188 /nfs/dbraw/zinc/46/11/88/582461188.db2.gz FPONEIZKTLIZLG-MNOVXSKESA-N 0 0 232.707 2.464 10 0 BEAERN CC(C)Cc1n[nH]cc1Br ZINC000106880968 582459997 /nfs/dbraw/zinc/45/99/97/582459997.db2.gz CLEPZPPDAHYMBM-UHFFFAOYSA-N 0 0 203.083 2.371 10 0 BEAERN Cc1nc(C(=O)C(C)C)sc1C1OCCO1 ZINC000757122997 582498247 /nfs/dbraw/zinc/49/82/47/582498247.db2.gz HRNOQWQUEKVEOX-UHFFFAOYSA-N 0 0 241.312 2.336 10 0 BEAERN CCc1nc(C(=O)C(C)(C)F)sc1N ZINC000757125784 582500673 /nfs/dbraw/zinc/50/06/73/582500673.db2.gz UFRRQOQARRUSRU-UHFFFAOYSA-N 0 0 216.281 2.219 10 0 BEAERN C[C@H]1C[C@H]1Nc1ccc2c(c1)CCN2C ZINC000757133874 582510418 /nfs/dbraw/zinc/51/04/18/582510418.db2.gz VKNCKGVCIVOJOD-JOYOIKCWSA-N 0 0 202.301 2.499 10 0 BEAERN Cc1cc(C[C@H](O)C(C)(C)O)ccc1Cl ZINC000757153745 582538083 /nfs/dbraw/zinc/53/80/83/582538083.db2.gz RLLHNRRXDDSJKY-NSHDSACASA-N 0 0 228.719 2.323 10 0 BEAERN CC(=O)c1cnn(-c2ccc(O)cc2)c1C ZINC000757170848 582550820 /nfs/dbraw/zinc/55/08/20/582550820.db2.gz KFVCFCYVMKYYDW-UHFFFAOYSA-N 0 0 216.240 2.089 10 0 BEAERN Cc1cc2n(n1)[C@H]([C@@H]1CC[C@@H](C)O1)CCN2 ZINC000235383409 582572876 /nfs/dbraw/zinc/57/28/76/582572876.db2.gz NKANFZHUUQPZJB-VWYCJHECSA-N 0 0 221.304 2.116 10 0 BEAERN Cc1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC000235396341 582576625 /nfs/dbraw/zinc/57/66/25/582576625.db2.gz JVAMNLZYKFKPKA-RNFRBKRXSA-N 0 0 219.210 2.499 10 0 BEAERN CCC[C@H](C)CC(=O)N(C)C[C@@H]1CCCO1 ZINC000133387772 535600653 /nfs/dbraw/zinc/60/06/53/535600653.db2.gz LMEFWRMJPCCZOQ-RYUDHWBXSA-N 0 0 227.348 2.450 10 0 BEAERN Nc1cccn(Cc2sccc2Cl)c1=O ZINC000379840272 582684168 /nfs/dbraw/zinc/68/41/68/582684168.db2.gz CUEUNWIUGUDRSG-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN CCCNC(=O)C[C@@H](C)c1cccnc1 ZINC000062617635 517587252 /nfs/dbraw/zinc/58/72/52/517587252.db2.gz OOHARCDFJAOSCD-SNVBAGLBSA-N 0 0 206.289 2.101 10 0 BEAERN CNc1ccnc(C(=O)N[C@@H](C)CC(C)C)c1 ZINC000050749747 517981123 /nfs/dbraw/zinc/98/11/23/517981123.db2.gz YZZLLHMLRFOJBU-JTQLQIEISA-N 0 0 235.331 2.288 10 0 BEAERN CC(C)(C)[C@H]1OCC[C@@H]1CNc1ncccn1 ZINC000189139535 518984121 /nfs/dbraw/zinc/98/41/21/518984121.db2.gz CQUXYKFPKMHKSV-MNOVXSKESA-N 0 0 235.331 2.340 10 0 BEAERN CC(C)OCn1cc(Br)cn1 ZINC000062701658 519776726 /nfs/dbraw/zinc/77/67/26/519776726.db2.gz DHCZOBSIYRXJPS-UHFFFAOYSA-N 0 0 219.082 2.028 10 0 BEAERN CCCc1noc(NCc2ccncc2)n1 ZINC000057353968 521592288 /nfs/dbraw/zinc/59/22/88/521592288.db2.gz UDBNGDFYQCDWQE-UHFFFAOYSA-N 0 0 218.260 2.029 10 0 BEAERN CCOC(=O)c1oc2c(c1C)[C@@H](O)C[C@H](C)C2 ZINC000057348305 521607990 /nfs/dbraw/zinc/60/79/90/521607990.db2.gz RUPJRWBPUXWVOF-CBAPKCEASA-N 0 0 238.283 2.380 10 0 BEAERN CC(C)(C)OC(=O)CN1CCOc2ccccc21 ZINC000125132905 534747590 /nfs/dbraw/zinc/74/75/90/534747590.db2.gz KCFJOSUOJOVIDX-UHFFFAOYSA-N 0 0 249.310 2.227 10 0 BEAERN Cc1cc(N2CCNC2=O)ccc1Cl ZINC000229010964 525083128 /nfs/dbraw/zinc/08/31/28/525083128.db2.gz XPYWHUMMHUNVFX-UHFFFAOYSA-N 0 0 210.664 2.178 10 0 BEAERN Cc1ccc(-c2noc([C@@H](N)C(C)C)n2)n1C ZINC000229002887 525884589 /nfs/dbraw/zinc/88/45/89/525884589.db2.gz TVDLHYSCXNLVEA-JTQLQIEISA-N 0 0 234.303 2.039 10 0 BEAERN C[C@H](c1c[nH]cn1)c1ccccc1C=O ZINC000221591371 526163541 /nfs/dbraw/zinc/16/35/41/526163541.db2.gz WRFDNTNQHCBPMN-VIFPVBQESA-N 0 0 200.241 2.374 10 0 BEAERN Nc1ccc(-c2nc(-c3ccsc3)no2)cn1 ZINC000063216174 527465318 /nfs/dbraw/zinc/46/53/18/527465318.db2.gz XOWPUBIHIXCXKX-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN CC(C)OC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000495873485 527816281 /nfs/dbraw/zinc/81/62/81/527816281.db2.gz ZSHXTRRXRKYQPN-JTQLQIEISA-N 0 0 229.320 2.278 10 0 BEAERN CC(C)OC(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000496808836 527819839 /nfs/dbraw/zinc/81/98/39/527819839.db2.gz FNFQNPLTZWOXJP-NXEZZACHSA-N 0 0 229.320 2.325 10 0 BEAERN COC[C@H]1CCCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000113578115 536516739 /nfs/dbraw/zinc/51/67/39/536516739.db2.gz ZSMBJIAQTRMLIK-NEPJUHHUSA-N 0 0 242.363 2.099 10 0 BEAERN CCOCC(C)(C)CNC(=O)OC(C)C ZINC000309008302 528566402 /nfs/dbraw/zinc/56/64/02/528566402.db2.gz OACCSLGDQUTSCY-UHFFFAOYSA-N 0 0 217.309 2.184 10 0 BEAERN CC[C@@H]1CN(C(=O)OC(C)C)C[C@@H](C)O1 ZINC000497190488 529373971 /nfs/dbraw/zinc/37/39/71/529373971.db2.gz OJBWQHTYZLZZQG-NXEZZACHSA-N 0 0 215.293 2.031 10 0 BEAERN CCCCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181180035 534930143 /nfs/dbraw/zinc/93/01/43/534930143.db2.gz ACQSNFPGKGJLHQ-SNVBAGLBSA-N 0 0 236.319 2.049 10 0 BEAERN CCCNc1ccc(N2CCOCC2)cc1 ZINC000020143836 535201405 /nfs/dbraw/zinc/20/14/05/535201405.db2.gz NWIOSHLXRYBMOZ-UHFFFAOYSA-N 0 0 220.316 2.345 10 0 BEAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCCC1(C)C ZINC000335980688 535203260 /nfs/dbraw/zinc/20/32/60/535203260.db2.gz YRWMJXMKXLKHID-VXGBXAGGSA-N 0 0 239.359 2.449 10 0 BEAERN CCCCN(C)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187652671 535210000 /nfs/dbraw/zinc/21/00/00/535210000.db2.gz QDKIOEJTYVZQJP-UHFFFAOYSA-N 0 0 246.310 2.053 10 0 BEAERN CCCN(C(=O)N[C@H](C)[C@@H]1CCCO1)C1CC1 ZINC000171425295 535225406 /nfs/dbraw/zinc/22/54/06/535225406.db2.gz NHOAJJHADQKIAP-PWSUYJOCSA-N 0 0 240.347 2.138 10 0 BEAERN CC1CCN(C(=O)N2C[C@@H]3CCC[C@@H]32)CC1 ZINC000334554845 535271197 /nfs/dbraw/zinc/27/11/97/535271197.db2.gz AQAFSRBABJHIRX-RYUDHWBXSA-N 0 0 222.332 2.323 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178543096 535340266 /nfs/dbraw/zinc/34/02/66/535340266.db2.gz NKLLLSVAJKVUEC-DGCLKSJQSA-N 0 0 249.285 2.024 10 0 BEAERN CCOc1ccc2c(c1)C(=O)CCN2C(C)=O ZINC000083100581 535430750 /nfs/dbraw/zinc/43/07/50/535430750.db2.gz VRYPLNYBBZPKNC-UHFFFAOYSA-N 0 0 233.267 2.025 10 0 BEAERN CCOCCC(=O)NC1CCC(CC)CC1 ZINC000076788562 535453832 /nfs/dbraw/zinc/45/38/32/535453832.db2.gz SRNSCQWYUOVRGX-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN CC[C@@H](C)C[S@@](=O)CC(=O)NC(C)(C)CC ZINC000131789159 535536678 /nfs/dbraw/zinc/53/66/78/535536678.db2.gz KVUNMYHUDZLJAZ-HWPZZCPQSA-N 0 0 247.404 2.086 10 0 BEAERN CCCc1noc(C2CCC(=O)CC2)n1 ZINC000070997034 535556110 /nfs/dbraw/zinc/55/61/10/535556110.db2.gz OFQSAYLYAOJGPX-UHFFFAOYSA-N 0 0 208.261 2.249 10 0 BEAERN CC[C@H](NC(=O)[C@H]1CCC[C@@H]1C)c1ncc[nH]1 ZINC000218085063 535850521 /nfs/dbraw/zinc/85/05/21/535850521.db2.gz XTOYHJORAIQYCZ-DCAQKATOSA-N 0 0 235.331 2.413 10 0 BEAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)C(C)C)CCO1 ZINC000182394948 535865496 /nfs/dbraw/zinc/86/54/96/535865496.db2.gz KKRXNQLHHDQMIX-SDDRHHMPSA-N 0 0 227.348 2.352 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000230079080 535922633 /nfs/dbraw/zinc/92/26/33/535922633.db2.gz IXDYWLOQQAJUFJ-BXKDBHETSA-N 0 0 239.340 2.301 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000248423511 535932410 /nfs/dbraw/zinc/93/24/10/535932410.db2.gz ZEEFNGJSIDCBID-RVMXOQNASA-N 0 0 241.375 2.336 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1C[C@@H]1C ZINC000248473723 535959570 /nfs/dbraw/zinc/95/95/70/535959570.db2.gz LDKMYFZBJLVXQJ-VPOLOUISSA-N 0 0 210.321 2.225 10 0 BEAERN CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000172265876 536313281 /nfs/dbraw/zinc/31/32/81/536313281.db2.gz VOJUEJDTNNDSIU-UHFFFAOYSA-N 0 0 222.313 2.177 10 0 BEAERN CN1CCCc2cc(N)c(Br)cc21 ZINC000096988439 536396978 /nfs/dbraw/zinc/39/69/78/536396978.db2.gz NQEVNMLIGCIOKS-UHFFFAOYSA-N 0 0 241.132 2.414 10 0 BEAERN COC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000335992365 536558228 /nfs/dbraw/zinc/55/82/28/536558228.db2.gz TZBOQKJBDQGJJV-VXGBXAGGSA-N 0 0 239.359 2.450 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC2(CCCC2)C1 ZINC000173745143 536863994 /nfs/dbraw/zinc/86/39/94/536863994.db2.gz BXOXCIXEEBTFQY-LLVKDONJSA-N 0 0 225.332 2.062 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCCC[C@@H]1C(C)C ZINC000669376053 566422144 /nfs/dbraw/zinc/42/21/44/566422144.db2.gz CWXOTTHNFPOJIH-GHMZBOCLSA-N 0 0 233.377 2.141 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC[C@@H](C)[C@@H]2C ZINC000227521529 566466857 /nfs/dbraw/zinc/46/68/57/566466857.db2.gz ZQQPYUNJELPDPA-WDCWCFNPSA-N 0 0 212.289 2.143 10 0 BEAERN c1nc2n(n1)[C@H](C1CCCCC1)CCN2 ZINC000232470019 566491174 /nfs/dbraw/zinc/49/11/74/566491174.db2.gz HVGGMUSKUFIANG-JTQLQIEISA-N 0 0 206.293 2.215 10 0 BEAERN COc1cc(=O)oc(-c2ccccc2O)c1 ZINC000028861914 560091426 /nfs/dbraw/zinc/09/14/26/560091426.db2.gz FUNJTUFBEHVWPN-UHFFFAOYSA-N 0 0 218.208 2.021 10 0 biogenic,in-vitro BEAERN CC[C@@H](C)C(=O)c1c(O)cc(O)cc1O ZINC000000900229 560179607 /nfs/dbraw/zinc/17/96/07/560179607.db2.gz ASABIRFQGVWRDC-ZCFIWIBFSA-N 0 0 210.229 2.032 10 0 in-vitro BEAERN CCN(CC)c1nc(N)c2ccccc2n1 ZINC000001596053 560182799 /nfs/dbraw/zinc/18/27/99/560182799.db2.gz JJINOCDZQXZAML-UHFFFAOYSA-N 0 0 216.288 2.058 10 0 in-vitro BEAERN O[C@@H]1C=Cc2sc3ccccc3c2[C@@H]1O ZINC000004097244 560194508 /nfs/dbraw/zinc/19/45/08/560194508.db2.gz OOOXLVUNFHBSNL-PRHODGIISA-N 0 0 218.277 2.322 10 0 in-vitro BEAERN O[C@H]1C=Cc2ccc3ccccc3c2[C@@H]1O ZINC000006118286 560205310 /nfs/dbraw/zinc/20/53/10/560205310.db2.gz FOTICWSJABVKPW-GXTWGEPZSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN CC(C)(C)/C=C/C(=O)OC[C@H]1CCOC1 ZINC000111677701 588766247 /nfs/dbraw/zinc/76/62/47/588766247.db2.gz QHFXBFHDCUMRGE-RWCYGVJQSA-N 0 0 212.289 2.168 10 0 BEAERN CC(C)(C)/C=C/C(=O)OC[C@H]1CCCO1 ZINC000111677644 588766456 /nfs/dbraw/zinc/76/64/56/588766456.db2.gz XKEJTEWNVKNISQ-VQCYPWCPSA-N 0 0 212.289 2.311 10 0 BEAERN CCO[C@H](C)C(=O)OCCc1ccc(F)cc1 ZINC000111992244 588777752 /nfs/dbraw/zinc/77/77/52/588777752.db2.gz LLMJQVHBODDLAS-SNVBAGLBSA-N 0 0 240.274 2.336 10 0 BEAERN CO[C@H](C)CC(=O)OCCc1ccc(F)cc1 ZINC000111992377 588777848 /nfs/dbraw/zinc/77/78/48/588777848.db2.gz DDWPYLKNNNEZEN-SNVBAGLBSA-N 0 0 240.274 2.336 10 0 BEAERN O=C(N1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000112020196 588780747 /nfs/dbraw/zinc/78/07/47/588780747.db2.gz HORKZSJNZSPJJT-RXMQYKEDSA-N 0 0 249.154 2.350 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)O[C@H]1CCOC1 ZINC000112149711 588783320 /nfs/dbraw/zinc/78/33/20/588783320.db2.gz OHODPHJOWOCBIV-YPMHNXCESA-N 0 0 234.295 2.197 10 0 BEAERN Cc1nnc([C@H](C)OC(=O)C[C@@H]2C=CCC2)o1 ZINC000112157173 588783522 /nfs/dbraw/zinc/78/35/22/588783522.db2.gz NDNJVYUSSNSGPM-WCBMZHEXSA-N 0 0 236.271 2.339 10 0 BEAERN CC(=O)O[C@H]1CCCc2nc(C)sc21 ZINC000112767297 588816393 /nfs/dbraw/zinc/81/63/93/588816393.db2.gz CQRAFOHVEHCTMC-VIFPVBQESA-N 0 0 211.286 2.392 10 0 BEAERN CC(C)(C)SCCOC(=O)[C@@H]1CCCOC1 ZINC000112764445 588816436 /nfs/dbraw/zinc/81/64/36/588816436.db2.gz VBALHAIKRQLMHK-SNVBAGLBSA-N 0 0 246.372 2.488 10 0 BEAERN CCCOCC(=O)OCCSC(C)(C)C ZINC000112763625 588816439 /nfs/dbraw/zinc/81/64/39/588816439.db2.gz JDSCFIKIAUGXJK-UHFFFAOYSA-N 0 0 234.361 2.488 10 0 BEAERN Cc1nn(C)cc1C(=O)OC[C@@H]1CC=CC[C@@H]1C ZINC000113011602 588822405 /nfs/dbraw/zinc/82/24/05/588822405.db2.gz IIHJVFGFBNFJPB-JQWIXIFHSA-N 0 0 248.326 2.488 10 0 BEAERN Nc1ccc(=O)n(Cc2ccc(Cl)s2)c1 ZINC000019411884 582458174 /nfs/dbraw/zinc/45/81/74/582458174.db2.gz QTPILQJRBMAOQZ-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCC(C)(C)C2 ZINC000234599656 582461891 /nfs/dbraw/zinc/46/18/91/582461891.db2.gz SHHHWEORDRGSBC-QWRGUYRKSA-N 0 0 232.707 2.464 10 0 BEAERN CNCc1csc(C(=O)CC(C)C)n1 ZINC000757121409 582496886 /nfs/dbraw/zinc/49/68/86/582496886.db2.gz BELSYYUTFZZXMN-UHFFFAOYSA-N 0 0 212.318 2.091 10 0 BEAERN Clc1cccnc1-n1ncc2ncccc21 ZINC000757122698 582497703 /nfs/dbraw/zinc/49/77/03/582497703.db2.gz UMOKRLRUBOEKMP-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN O=C(c1ncc(C2OCCO2)s1)C1CCC1 ZINC000757123715 582498222 /nfs/dbraw/zinc/49/82/22/582498222.db2.gz JLIBQRCGNTUQFD-UHFFFAOYSA-N 0 0 239.296 2.171 10 0 BEAERN Cc1nc([C@@H](O)C2(C)CC2)sc1C=O ZINC000757125745 582500088 /nfs/dbraw/zinc/50/00/88/582500088.db2.gz FXPYRUYOPZBSKP-MRVPVSSYSA-N 0 0 211.286 2.098 10 0 BEAERN COC(=O)c1cnc([C@@H](O)CC(C)C)s1 ZINC000757125837 582500628 /nfs/dbraw/zinc/50/06/28/582500628.db2.gz UJDRNAQSVVHBQN-ZETCQYMHSA-N 0 0 229.301 2.009 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccc2c(c1)CCN2C ZINC000757133867 582510225 /nfs/dbraw/zinc/51/02/25/582510225.db2.gz VKNCKGVCIVOJOD-CABZTGNLSA-N 0 0 202.301 2.499 10 0 BEAERN Cc1nc([C@H](O)C2CCC2)sc1C=O ZINC000757133902 582510372 /nfs/dbraw/zinc/51/03/72/582510372.db2.gz XRLUYORTKATBCU-SECBINFHSA-N 0 0 211.286 2.098 10 0 BEAERN C[C@H](O)[C@H](C)Nc1cc2ccccc2[nH]1 ZINC000757137287 582516519 /nfs/dbraw/zinc/51/65/19/582516519.db2.gz YSMXQZIWKUMALE-IUCAKERBSA-N 0 0 204.273 2.349 10 0 BEAERN Cc1cc(Cl)nc(N2CC[C@H](C)C2)n1 ZINC000757165809 582548129 /nfs/dbraw/zinc/54/81/29/582548129.db2.gz NPJJPMOFXPADBE-ZETCQYMHSA-N 0 0 211.696 2.285 10 0 BEAERN CC(C)c1ccn(-c2cccnc2C=O)n1 ZINC000757166116 582548245 /nfs/dbraw/zinc/54/82/45/582548245.db2.gz UHBRIXRANVSSKR-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN CCC1(CC)[C@H](O)C[C@H]1NC(=O)OC(C)(C)C ZINC000757168647 582549273 /nfs/dbraw/zinc/54/92/73/582549273.db2.gz KGSZBYSUAKPKHK-NXEZZACHSA-N 0 0 243.347 2.451 10 0 BEAERN CCc1cc(=S)n(-c2ccc(O)cc2)[nH]1 ZINC000757170494 582550848 /nfs/dbraw/zinc/55/08/48/582550848.db2.gz ILFUUMUKOXVFPQ-UHFFFAOYSA-N 0 0 220.297 2.429 10 0 BEAERN CCOC(=O)C=C1CCC2(COC2)CC1 ZINC000757191443 582556568 /nfs/dbraw/zinc/55/65/68/582556568.db2.gz PMEJXPFEHROKGZ-UHFFFAOYSA-N 0 0 210.273 2.067 10 0 BEAERN Cc1ccc2oc([C@H]3C[NH2+]C[C@H]3C(=O)[O-])cc2c1 ZINC000757193851 582557215 /nfs/dbraw/zinc/55/72/15/582557215.db2.gz SMZIHAUSQRYDQS-WDEREUQCSA-N 0 0 245.278 2.129 10 0 BEAERN C[C@@H]1CC[NH2+][C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213261 582560642 /nfs/dbraw/zinc/56/06/42/582560642.db2.gz IYEDCEOIDRVSOW-SKDRFNHKSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1CC[NH2+]C[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757217839 582561897 /nfs/dbraw/zinc/56/18/97/582561897.db2.gz SPRMXUYRSNGPMX-CABZTGNLSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@@H]1CNc2cc(-c3ccncc3)nn2C1 ZINC000235363376 582566991 /nfs/dbraw/zinc/56/69/91/582566991.db2.gz OTQXYHNDWHVGRL-SECBINFHSA-N 0 0 214.272 2.007 10 0 BEAERN C[C@@H]1C[C@@H](C)n2nc3ncccc3c2N1 ZINC000235410058 582577969 /nfs/dbraw/zinc/57/79/69/582577969.db2.gz VCRVEQVVIKUDAB-HTQZYQBOSA-N 0 0 202.261 2.196 10 0 BEAERN CCOC(=O)c1ccnc([C@@H]2CC2(C)C)n1 ZINC000300759836 582578809 /nfs/dbraw/zinc/57/88/09/582578809.db2.gz WAVSZJRWTBZNDR-QMMMGPOBSA-N 0 0 220.272 2.167 10 0 BEAERN C[C@H]1C[C@H](C)n2nc3ccc(N)cc3c2N1 ZINC000235695577 582603121 /nfs/dbraw/zinc/60/31/21/582603121.db2.gz PBYMSUPKGFKESQ-YUMQZZPRSA-N 0 0 216.288 2.384 10 0 BEAERN C[C@H]1C[C@H](C)n2nc(C3CCC3)nc2N1 ZINC000235694634 582603724 /nfs/dbraw/zinc/60/37/24/582603724.db2.gz XPADUICIXXLHSS-YUMQZZPRSA-N 0 0 206.293 2.311 10 0 BEAERN Cc1nc2n(n1)[C@H](c1cccs1)CCN2 ZINC000236035426 582637052 /nfs/dbraw/zinc/63/70/52/582637052.db2.gz SWJSSCIMLKDYIS-QMMMGPOBSA-N 0 0 220.301 2.053 10 0 BEAERN FC(F)(F)c1nc2n(n1)[C@@H](C1CC1)CCN2 ZINC000236115728 582639120 /nfs/dbraw/zinc/63/91/20/582639120.db2.gz UCXRMJWFJWZLCW-ZCFIWIBFSA-N 0 0 232.209 2.064 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CCCCC2(C)C ZINC000234585648 582641669 /nfs/dbraw/zinc/64/16/69/582641669.db2.gz LAGPCBWBOIDRCD-GHMZBOCLSA-N 0 0 232.707 2.464 10 0 BEAERN CS[C@@H]1CCN(c2ccc(C=O)o2)C1 ZINC000306556373 582653216 /nfs/dbraw/zinc/65/32/16/582653216.db2.gz IBPNPONNFFDVNC-SECBINFHSA-N 0 0 211.286 2.034 10 0 BEAERN Cc1cn(C[C@H]2CCC[C@H](C)C2)nc1N ZINC000379948726 582685290 /nfs/dbraw/zinc/68/52/90/582685290.db2.gz DODGNGRLCNAMBJ-ONGXEEELSA-N 0 0 207.321 2.430 10 0 BEAERN Nc1ccn(C[C@H]2CCCCC2(F)F)n1 ZINC000381505062 582689528 /nfs/dbraw/zinc/68/95/28/582689528.db2.gz JTDYDLNIWDPXOQ-MRVPVSSYSA-N 0 0 215.247 2.121 10 0 BEAERN CCOC(=O)c1noc([C@@H](C)C(C)(F)F)n1 ZINC000382022845 582696454 /nfs/dbraw/zinc/69/64/54/582696454.db2.gz QYNAKUJENKCMGV-RXMQYKEDSA-N 0 0 234.202 2.005 10 0 BEAERN Cc1cccc(N2C(=O)N[C@H](C(C)(C)C)C2=O)c1 ZINC000348696668 582729022 /nfs/dbraw/zinc/72/90/22/582729022.db2.gz AWZNJLJTUSQRKY-NSHDSACASA-N 0 0 246.310 2.466 10 0 BEAERN CC(C)C[C@H](C)n1nc(N)nc1Br ZINC000725249054 582740856 /nfs/dbraw/zinc/74/08/56/582740856.db2.gz YTXHYASTZHXFIZ-LURJTMIESA-N 0 0 247.140 2.230 10 0 BEAERN Cc1c(N)ccc(=O)n1[C@@H](C)CC(C)C ZINC000725249044 582740895 /nfs/dbraw/zinc/74/08/95/582740895.db2.gz VOGUGPULXNBAPK-VIFPVBQESA-N 0 0 208.305 2.346 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H]1c1ncccn1 ZINC000725255090 582759524 /nfs/dbraw/zinc/75/95/24/582759524.db2.gz RLIDUUGBPIOMGT-VIFPVBQESA-N 0 0 235.287 2.159 10 0 BEAERN C[C@@H](OC(=O)c1cccnc1)c1cccnc1 ZINC000113684650 588850114 /nfs/dbraw/zinc/85/01/14/588850114.db2.gz UNEMBPIYKBGOCO-SNVBAGLBSA-N 0 0 228.251 2.395 10 0 BEAERN CC1(Cn2cccc(N)c2=O)CCCC1 ZINC000389688892 582881327 /nfs/dbraw/zinc/88/13/27/582881327.db2.gz HFCIXLQNPOFQQL-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN CCC(CC)Cn1c(C)c(N)ccc1=O ZINC000389722100 582881646 /nfs/dbraw/zinc/88/16/46/582881646.db2.gz PRIAFNJFFLGQRV-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN Cc1cc(N)nn1CCCOCc1ccccc1 ZINC000393925016 582933701 /nfs/dbraw/zinc/93/37/01/582933701.db2.gz IZVBQSZFRKYWTN-UHFFFAOYSA-N 0 0 245.326 2.211 10 0 BEAERN CSc1ccc([C@H](O)c2cn[nH]c2)cc1 ZINC000704690802 582949932 /nfs/dbraw/zinc/94/99/32/582949932.db2.gz BZSJMFVEPNJOEV-NSHDSACASA-N 0 0 220.297 2.213 10 0 BEAERN CCCC[C@]1(C)O[C@]1(Cl)C(=O)OC ZINC000394594037 582995637 /nfs/dbraw/zinc/99/56/37/582995637.db2.gz XWYNZDKELAUYTF-DTWKUNHWSA-N 0 0 206.669 2.074 10 0 BEAERN Cc1nnsc1[C@@H]1NCCc2sccc21 ZINC000397253083 583099094 /nfs/dbraw/zinc/09/90/94/583099094.db2.gz WMXDBXSSYTWKLE-SECBINFHSA-N 0 0 237.353 2.143 10 0 BEAERN CC[C@H](C(=O)C(F)F)C(=O)[C@@H]1CC1(C)C ZINC000397717399 583107745 /nfs/dbraw/zinc/10/77/45/583107745.db2.gz VCUSUVQKZDKFLP-BQBZGAKWSA-N 0 0 218.243 2.462 10 0 BEAERN C[C@@H]1C[C@@H](C)n2nc3ccc(N)cc3c2N1 ZINC000235409889 583209781 /nfs/dbraw/zinc/20/97/81/583209781.db2.gz PBYMSUPKGFKESQ-HTQZYQBOSA-N 0 0 216.288 2.384 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1coc(C2CCCC2)n1 ZINC000332730219 583301191 /nfs/dbraw/zinc/30/11/91/583301191.db2.gz YVHJRPPDUCPRIW-WPRPVWTQSA-N 0 0 234.299 2.470 10 0 BEAERN Cc1occc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000895196143 583622879 /nfs/dbraw/zinc/62/28/79/583622879.db2.gz SLWZCMHQKSXIAQ-GFCCVEGCSA-N 0 0 246.314 2.433 10 0 BEAERN CCCCOC(=O)c1cccc(-n2cncn2)c1 ZINC000115736197 588925335 /nfs/dbraw/zinc/92/53/35/588925335.db2.gz BKCVDHWUKFIBPQ-UHFFFAOYSA-N 0 0 245.282 2.224 10 0 BEAERN CCC(=O)c1ccc(-n2ccnc2)cc1 ZINC000148439529 583947366 /nfs/dbraw/zinc/94/73/66/583947366.db2.gz BOYCTISUJIYBAB-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN CC(C)(C)SCC(=O)OCC1CC1 ZINC000103333227 583974019 /nfs/dbraw/zinc/97/40/19/583974019.db2.gz BNHVKWZRCVJTLN-UHFFFAOYSA-N 0 0 202.319 2.471 10 0 BEAERN C/C=C\[C@H](O)C(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000900735970 584347646 /nfs/dbraw/zinc/34/76/46/584347646.db2.gz VEAHLJRGEXFSAO-OPUZMVJGSA-N 0 0 249.310 2.189 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cccc(F)c1F ZINC000134678035 584953733 /nfs/dbraw/zinc/95/37/33/584953733.db2.gz WJWBVJSOAVSVTG-UHFFFAOYSA-N 0 0 237.209 2.249 10 0 BEAERN CC[C@]1(C2CCCC2)O[C@]1(C)C(=O)OC ZINC000387649480 585010384 /nfs/dbraw/zinc/01/03/84/585010384.db2.gz KDECQPNCPGXALY-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN CCCC[C@@H](CC)CNC(=O)C[C@@H](C)O ZINC000002019925 585039044 /nfs/dbraw/zinc/03/90/44/585039044.db2.gz WTBQLHRVRKXSPX-GHMZBOCLSA-N 0 0 215.337 2.090 10 0 in-man BEAERN CCCC[C@@H](CC)CNC(=O)C[C@H](C)O ZINC000002019927 585039210 /nfs/dbraw/zinc/03/92/10/585039210.db2.gz WTBQLHRVRKXSPX-WDEREUQCSA-N 0 0 215.337 2.090 10 0 in-man BEAERN CCCC[C@H](CC)CNC(=O)C[C@@H](C)O ZINC000002019926 585039276 /nfs/dbraw/zinc/03/92/76/585039276.db2.gz WTBQLHRVRKXSPX-MNOVXSKESA-N 0 0 215.337 2.090 10 0 in-man BEAERN COC[C@H](C)C(=O)Oc1ccccc1C ZINC000103356302 585096596 /nfs/dbraw/zinc/09/65/96/585096596.db2.gz DBZWUBCGXZZRLQ-JTQLQIEISA-N 0 0 208.257 2.183 10 0 BEAERN COC[C@@H](C)C(=O)OCCc1ccccc1 ZINC000103552195 585335802 /nfs/dbraw/zinc/33/58/02/585335802.db2.gz LOUASHZHHSUWJS-LLVKDONJSA-N 0 0 222.284 2.055 10 0 BEAERN CCCc1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757566943 586305852 /nfs/dbraw/zinc/30/58/52/586305852.db2.gz LRKMMMLQSSJPSY-UHFFFAOYSA-N 0 0 216.288 2.485 10 0 BEAERN CN(C)c1nc(CC2CCC2)nc2[nH]ccc21 ZINC000757567435 586315775 /nfs/dbraw/zinc/31/57/75/586315775.db2.gz NEELLMCKDUAHIM-UHFFFAOYSA-N 0 0 230.315 2.367 10 0 BEAERN CC(C)Nc1nc(-c2ccco2)nc2[nH]ccc21 ZINC000757567522 586335839 /nfs/dbraw/zinc/33/58/39/586335839.db2.gz NSSNEQPNHGYEIF-UHFFFAOYSA-N 0 0 242.282 2.460 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1nc(C(=O)OC)cs1 ZINC000757133785 586427061 /nfs/dbraw/zinc/42/70/61/586427061.db2.gz WUHMJIIWFGFSPR-HTRCEHHLSA-N 0 0 229.301 2.009 10 0 BEAERN O[C@H](CNc1cc2ccccc2[nH]1)C1CC1 ZINC000757136665 586427115 /nfs/dbraw/zinc/42/71/15/586427115.db2.gz OGKKSSQKOVWFPF-GFCCVEGCSA-N 0 0 216.284 2.351 10 0 BEAERN FC1(F)CCC2(CC1)NCC(F)(F)CO2 ZINC000757154228 586430237 /nfs/dbraw/zinc/43/02/37/586430237.db2.gz ZPRVZKUHOXBDMM-UHFFFAOYSA-N 0 0 227.201 2.147 10 0 BEAERN CCc1sc(N)nc1C(=O)OC(C)(C)C ZINC000757186119 586434529 /nfs/dbraw/zinc/43/45/29/586434529.db2.gz AGEWBBYEVWHQEU-UHFFFAOYSA-N 0 0 228.317 2.243 10 0 BEAERN [NH3+][C@H]1CCC2(CC2)c2cccc(C(=O)[O-])c21 ZINC000757187321 586434727 /nfs/dbraw/zinc/43/47/27/586434727.db2.gz KSRGZZSDRJSFCU-JTQLQIEISA-N 0 0 217.268 2.210 10 0 BEAERN CC(C)(C)C1CCC(C(CO)CO)CC1 ZINC000757193392 586434767 /nfs/dbraw/zinc/43/47/67/586434767.db2.gz UZSKJBGDIYOYLD-UHFFFAOYSA-N 0 0 214.349 2.440 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C)cc2C)C1 ZINC000757189079 586435172 /nfs/dbraw/zinc/43/51/72/586435172.db2.gz IXTARTWRGPZKOI-ZIAGYGMSSA-N 0 0 247.338 2.423 10 0 BEAERN CC1(C)CCCC[C@@H]1[C@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757192969 586435880 /nfs/dbraw/zinc/43/58/80/586435880.db2.gz OYLSFGLRSLJXPY-HBNTYKKESA-N 0 0 225.332 2.123 10 0 BEAERN CC[N@H+]1C[C@@H](c2ccc(C)c(C)c2)[C@H](C(=O)[O-])C1 ZINC000757193333 586436499 /nfs/dbraw/zinc/43/64/99/586436499.db2.gz SLYVMOFQRDZEIB-UONOGXRCSA-N 0 0 247.338 2.423 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757207038 586437147 /nfs/dbraw/zinc/43/71/47/586437147.db2.gz AUSNRBYTVVTELO-JIMOISOXSA-N 0 0 247.294 2.013 10 0 BEAERN CC(C)C(=O)OCC(C)(C)Br ZINC000757206712 586437558 /nfs/dbraw/zinc/43/75/58/586437558.db2.gz BGZZRCUFMGDIJU-UHFFFAOYSA-N 0 0 223.110 2.359 10 0 BEAERN C[C@H]1CC[C@H](c2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC000757208589 586438057 /nfs/dbraw/zinc/43/80/57/586438057.db2.gz AAGAQZPSIOMYGL-CABZTGNLSA-N 0 0 219.284 2.240 10 0 BEAERN CC(C)(Br)COC(=O)c1ccc[nH]1 ZINC000757209298 586438514 /nfs/dbraw/zinc/43/85/14/586438514.db2.gz IOYFCZUDPNXOQB-UHFFFAOYSA-N 0 0 246.104 2.345 10 0 BEAERN C[C@H]1CC[C@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757215001 586440177 /nfs/dbraw/zinc/44/01/77/586440177.db2.gz MEIGZKKCESQEIJ-JOYOIKCWSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@@H]1C[NH2+]C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757214085 586440194 /nfs/dbraw/zinc/44/01/94/586440194.db2.gz LEEDOYZHIKQSDA-CABZTGNLSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@@H]1CC[C@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757214942 586440230 /nfs/dbraw/zinc/44/02/30/586440230.db2.gz MEIGZKKCESQEIJ-BXKDBHETSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](c2cccs2)[NH2+]1 ZINC000757214318 586440234 /nfs/dbraw/zinc/44/02/34/586440234.db2.gz LWLMVPNMOIHAKX-VGMNWLOBSA-N 0 0 225.313 2.262 10 0 BEAERN O=C([O-])[C@@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757220418 586442394 /nfs/dbraw/zinc/44/23/94/586442394.db2.gz ZBGNPABWOUHBPE-YPMHNXCESA-N 0 0 244.294 2.293 10 0 BEAERN O=C([O-])[C@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757220415 586442458 /nfs/dbraw/zinc/44/24/58/586442458.db2.gz ZBGNPABWOUHBPE-WCQYABFASA-N 0 0 244.294 2.293 10 0 BEAERN Cc1sc([C@H]2CC[NH2+]C[C@H]2C)cc1C(=O)[O-] ZINC000757234073 586443276 /nfs/dbraw/zinc/44/32/76/586443276.db2.gz KJGICICHNSOAEH-APPZFPTMSA-N 0 0 239.340 2.468 10 0 BEAERN Cc1sc([C@@H]2CC[NH2+]C[C@H]2C)cc1C(=O)[O-] ZINC000757234078 586443462 /nfs/dbraw/zinc/44/34/62/586443462.db2.gz KJGICICHNSOAEH-VXNVDRBHSA-N 0 0 239.340 2.468 10 0 BEAERN O=C(OCc1ccnc(Cl)c1)c1cccnc1 ZINC000103806941 586817660 /nfs/dbraw/zinc/81/76/60/586817660.db2.gz NIUNTDRKRLYCTA-UHFFFAOYSA-N 0 0 248.669 2.487 10 0 BEAERN Cn1nnc2cc(C(=O)OCC(C)(C)C)ccc21 ZINC000103816893 586864779 /nfs/dbraw/zinc/86/47/79/586864779.db2.gz QRPCSNUUAYBBMD-UHFFFAOYSA-N 0 0 247.298 2.171 10 0 BEAERN Cc1cccc(OC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000121364320 587388778 /nfs/dbraw/zinc/38/87/78/587388778.db2.gz VKYMPGWAUVAXMO-JQWIXIFHSA-N 0 0 220.268 2.468 10 0 BEAERN COc1ccnc(COC(=O)C[C@@H]2C=CCC2)c1 ZINC000102150238 587807537 /nfs/dbraw/zinc/80/75/37/587807537.db2.gz YAWQTXPZJDJCPZ-LLVKDONJSA-N 0 0 247.294 2.490 10 0 BEAERN CCCOC(=O)c1cc(Cl)nc(NC)c1 ZINC000121463367 587836296 /nfs/dbraw/zinc/83/62/96/587836296.db2.gz UKKRXNUEKLNONI-UHFFFAOYSA-N 0 0 228.679 2.344 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)c2ncoc2C)C1 ZINC000121515806 587973241 /nfs/dbraw/zinc/97/32/41/587973241.db2.gz SZUGZRRTDGJROE-ZJUUUORDSA-N 0 0 239.271 2.097 10 0 BEAERN CCCC(=O)NCC(=O)Oc1cc(C)ccc1C ZINC000105755053 588220867 /nfs/dbraw/zinc/22/08/67/588220867.db2.gz RXBIMDYZYZAUHK-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN CCOCCOCC(=O)O[C@H](C)CC(C)C ZINC000105762472 588221982 /nfs/dbraw/zinc/22/19/82/588221982.db2.gz BUFVIQNUDNYRLP-LLVKDONJSA-N 0 0 232.320 2.017 10 0 BEAERN CNc1nc(C(=O)NCC2(C)CCC2)cs1 ZINC000121573984 588235420 /nfs/dbraw/zinc/23/54/20/588235420.db2.gz VYVNTHVIMNMNLO-UHFFFAOYSA-N 0 0 239.344 2.105 10 0 BEAERN CN(Cc1ccsc1)C(=O)n1ccnc1 ZINC000106033246 588243434 /nfs/dbraw/zinc/24/34/34/588243434.db2.gz AFGGABZJKHJWPI-UHFFFAOYSA-N 0 0 221.285 2.045 10 0 BEAERN CCCOCCOC(=O)c1sc(C)nc1C ZINC000107414527 588363131 /nfs/dbraw/zinc/36/31/31/588363131.db2.gz NLFPZHVSCBGDFQ-UHFFFAOYSA-N 0 0 243.328 2.343 10 0 BEAERN COc1ccc(COC(=O)C2=COCCC2)cc1 ZINC000107427618 588364518 /nfs/dbraw/zinc/36/45/18/588364518.db2.gz QGJHIOVRROQFOY-UHFFFAOYSA-N 0 0 248.278 2.433 10 0 BEAERN CSC[C@@H](C)C(=O)OCc1ccoc1 ZINC000109039288 588512887 /nfs/dbraw/zinc/51/28/87/588512887.db2.gz QSHOHRKSIAOMCZ-MRVPVSSYSA-N 0 0 214.286 2.322 10 0 BEAERN CSC[C@H](C)C(=O)OC[C@H]1C[C@@H]1C ZINC000109039497 588512919 /nfs/dbraw/zinc/51/29/19/588512919.db2.gz UKXBHQXGKPLVKB-XHNCKOQMSA-N 0 0 202.319 2.185 10 0 BEAERN Cc1ccc(C(=O)OCC(=O)C2CC2)s1 ZINC000109367282 588556545 /nfs/dbraw/zinc/55/65/45/588556545.db2.gz XUPJEOXKULWGNH-UHFFFAOYSA-N 0 0 224.281 2.192 10 0 BEAERN O=C(COC(=O)c1ccc(Cl)o1)C1CC1 ZINC000109368803 588556929 /nfs/dbraw/zinc/55/69/29/588556929.db2.gz CMVKRCQZXNUUJI-UHFFFAOYSA-N 0 0 228.631 2.069 10 0 BEAERN O=C(COC(=O)c1cccc2c1CCC2)C1CC1 ZINC000109372079 588557997 /nfs/dbraw/zinc/55/79/97/588557997.db2.gz SXPZRBBLUJWBHW-UHFFFAOYSA-N 0 0 244.290 2.311 10 0 BEAERN CCOCCCOC(=O)C[C@@H]1C=CCC1 ZINC000118153555 589156004 /nfs/dbraw/zinc/15/60/04/589156004.db2.gz ZPMNNFTWMFCPGH-LLVKDONJSA-N 0 0 212.289 2.313 10 0 BEAERN CCC1(COC(=O)[C@H](C)C2CC2)COC1 ZINC000118972259 589225966 /nfs/dbraw/zinc/22/59/66/589225966.db2.gz KNDXGQRBHDVXIM-SECBINFHSA-N 0 0 212.289 2.002 10 0 BEAERN O=C(CCc1ccncc1)OCC(F)(F)F ZINC000118989543 589226755 /nfs/dbraw/zinc/22/67/55/589226755.db2.gz TVFOUPLRHPXZHQ-UHFFFAOYSA-N 0 0 233.189 2.120 10 0 BEAERN CCSCCOC(=O)CCc1ccncc1 ZINC000119072461 589237109 /nfs/dbraw/zinc/23/71/09/589237109.db2.gz FEVDDADNELSGQU-UHFFFAOYSA-N 0 0 239.340 2.311 10 0 BEAERN O=C(OCCc1cccnc1)C1CC=CC1 ZINC000119111174 589242596 /nfs/dbraw/zinc/24/25/96/589242596.db2.gz FNYIRSYRYWIGBK-UHFFFAOYSA-N 0 0 217.268 2.134 10 0 BEAERN CO[C@@H](C(=O)OCC(F)(F)F)c1ccccc1 ZINC000119286765 589263265 /nfs/dbraw/zinc/26/32/65/589263265.db2.gz BDFZJDMVPZZDOV-SECBINFHSA-N 0 0 248.200 2.480 10 0 BEAERN CCCOC(=O)[C@H]1CCCN1c1nccs1 ZINC000119512944 589295568 /nfs/dbraw/zinc/29/55/68/589295568.db2.gz BJLWURTXPZQOET-SECBINFHSA-N 0 0 240.328 2.065 10 0 BEAERN CCCCCCC(=O)NCCc1nc(C)no1 ZINC000119646786 589321680 /nfs/dbraw/zinc/32/16/80/589321680.db2.gz DQQUTPUQOFYAPM-UHFFFAOYSA-N 0 0 239.319 2.007 10 0 BEAERN COC(=O)Cc1cccc(OC(=O)C2(C)CC2)c1 ZINC000119992141 589353674 /nfs/dbraw/zinc/35/36/74/589353674.db2.gz ZWIVALBURUOITP-UHFFFAOYSA-N 0 0 248.278 2.108 10 0 BEAERN CONC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000120570918 589438983 /nfs/dbraw/zinc/43/89/83/589438983.db2.gz UODAUCGPCPASJH-UHFFFAOYSA-N 0 0 218.256 2.076 10 0 BEAERN Cc1ccc(N(C)C[C@H](C)CO)c(C)c1 ZINC000120675967 589453681 /nfs/dbraw/zinc/45/36/81/589453681.db2.gz VYDDXASSSYTPBP-NSHDSACASA-N 0 0 207.317 2.368 10 0 BEAERN Nc1cc(-c2ccc(Cl)c(F)c2)[nH]n1 ZINC000205884143 589475711 /nfs/dbraw/zinc/47/57/11/589475711.db2.gz RZMNZTKFOTYHTI-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN CNc1nc(C(=O)N[C@H](C)C(C)(C)C)cs1 ZINC000121694836 589526353 /nfs/dbraw/zinc/52/63/53/589526353.db2.gz LWAWTNXMJUFWRP-SSDOTTSWSA-N 0 0 241.360 2.349 10 0 BEAERN Cc1cccc(CN(C)C(=O)N2CCCCC2)n1 ZINC000122177124 589560727 /nfs/dbraw/zinc/56/07/27/589560727.db2.gz CGUAMTKOEIBMRX-UHFFFAOYSA-N 0 0 247.342 2.428 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCc2ccccc2)O1 ZINC000122244403 589572492 /nfs/dbraw/zinc/57/24/92/589572492.db2.gz QTQJHLUXLHNDGS-DGCLKSJQSA-N 0 0 234.295 2.340 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCc2ccc(F)cc2)O1 ZINC000122303434 589577540 /nfs/dbraw/zinc/57/75/40/589577540.db2.gz BPTGJSTYPHBUIC-BXKDBHETSA-N 0 0 238.258 2.436 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCc2cccs2)O1 ZINC000122316443 589578410 /nfs/dbraw/zinc/57/84/10/589578410.db2.gz RAJRLTDXEWIVLL-SCZZXKLOSA-N 0 0 226.297 2.359 10 0 BEAERN Cc1cccc(OC(=O)CCc2ccnn2C)c1 ZINC000122914945 589643693 /nfs/dbraw/zinc/64/36/93/589643693.db2.gz MGDPFUJTQAGTLI-UHFFFAOYSA-N 0 0 244.294 2.267 10 0 BEAERN O=C(OCC(F)(F)F)[C@H]1CC=CCC1 ZINC000123118587 589662698 /nfs/dbraw/zinc/66/26/98/589662698.db2.gz FWRKUOVBXXYWPW-ZETCQYMHSA-N 0 0 208.179 2.448 10 0 BEAERN O=C(C[C@H]1C=CCC1)OCC(F)(F)F ZINC000123120389 589662729 /nfs/dbraw/zinc/66/27/29/589662729.db2.gz YLHHDSLIAQSLEB-ZETCQYMHSA-N 0 0 208.179 2.448 10 0 BEAERN C[C@@H](OC(=O)c1cncc(F)c1)C(F)(F)F ZINC000123787440 589813516 /nfs/dbraw/zinc/81/35/16/589813516.db2.gz TUBAHSUVZIVGCF-RXMQYKEDSA-N 0 0 237.152 2.328 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Oc2cc(F)cc(F)c2)O1 ZINC000123969822 589888906 /nfs/dbraw/zinc/88/89/06/589888906.db2.gz LDMUMNQQACBGKU-CPCISQLKSA-N 0 0 242.221 2.438 10 0 BEAERN CCCn1cnnc1COC(=O)[C@@H]1CC=CCC1 ZINC000124020563 589905014 /nfs/dbraw/zinc/90/50/14/589905014.db2.gz DPNHEUQQHBZUMX-LLVKDONJSA-N 0 0 249.314 2.088 10 0 BEAERN CC(=O)[C@H](C)CCCCC(=O)O[C@@H]1CCOC1 ZINC000124077400 589927011 /nfs/dbraw/zinc/92/70/11/589927011.db2.gz JVAIGOFOVADMQD-ZYHUDNBSSA-N 0 0 242.315 2.104 10 0 BEAERN Nc1cc(-c2c(F)cccc2Cl)[nH]n1 ZINC000019504676 589942086 /nfs/dbraw/zinc/94/20/86/589942086.db2.gz GIUZOXMKJRNLHT-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN CCCCSCCC(=O)OC[C@H]1CCOC1 ZINC000124281592 589972846 /nfs/dbraw/zinc/97/28/46/589972846.db2.gz YVMWWOFPYSWLNC-NSHDSACASA-N 0 0 246.372 2.490 10 0 BEAERN CCOC(=O)CN(Cc1ccoc1)C(C)C ZINC000124356580 589979394 /nfs/dbraw/zinc/97/93/94/589979394.db2.gz HIOFYDVNAJXRIC-UHFFFAOYSA-N 0 0 225.288 2.053 10 0 BEAERN O=Cc1c(Cl)cccc1-n1ccnc1 ZINC000020079199 590070928 /nfs/dbraw/zinc/07/09/28/590070928.db2.gz VECQBFBIYHJZDV-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Oc2cccc(F)c2)O1 ZINC000124790321 590085297 /nfs/dbraw/zinc/08/52/97/590085297.db2.gz FRNBEDQNBUZPMK-KWQFWETISA-N 0 0 224.231 2.299 10 0 BEAERN CCOc1cc(C=O)ccc1OCc1ccno1 ZINC000020253977 590093885 /nfs/dbraw/zinc/09/38/85/590093885.db2.gz AWMNELRVILOVQM-UHFFFAOYSA-N 0 0 247.250 2.465 10 0 BEAERN C[C@H](O)c1ccc(N2CCC(C)CC2)nc1 ZINC000124893627 590098329 /nfs/dbraw/zinc/09/83/29/590098329.db2.gz KDCNXONQHQDXGX-NSHDSACASA-N 0 0 220.316 2.371 10 0 BEAERN C[C@H](O)c1ccc(N2C[C@@H](C)[C@H](C)C2)nc1 ZINC000124946659 590102448 /nfs/dbraw/zinc/10/24/48/590102448.db2.gz PVXBIHAUUMMMFM-MXWKQRLJSA-N 0 0 220.316 2.227 10 0 BEAERN C[C@H](O)c1ccc(N2CCSC[C@@H]2C)nc1 ZINC000124945255 590102807 /nfs/dbraw/zinc/10/28/07/590102807.db2.gz HHKBPNZKIFPDRF-UWVGGRQHSA-N 0 0 238.356 2.077 10 0 BEAERN Cc1occc1COC(=O)[C@H]1CC[C@H](C)O1 ZINC000124965487 590106603 /nfs/dbraw/zinc/10/66/03/590106603.db2.gz FOJQMGBHHVVUEH-GZMMTYOYSA-N 0 0 224.256 2.199 10 0 BEAERN CCCNC(=S)N[C@H](CC)c1nccs1 ZINC000125190071 590150991 /nfs/dbraw/zinc/15/09/91/590150991.db2.gz XQVATRVDILGEBO-MRVPVSSYSA-N 0 0 243.401 2.468 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCc2ccsc2)O1 ZINC000125371103 590162799 /nfs/dbraw/zinc/16/27/99/590162799.db2.gz AZSWWJWMTIUVPV-WCBMZHEXSA-N 0 0 226.297 2.359 10 0 BEAERN CONC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000125601905 590173437 /nfs/dbraw/zinc/17/34/37/590173437.db2.gz QHJYNSUKCGDDFO-NSHDSACASA-N 0 0 238.262 2.064 10 0 BEAERN CC(C)(C)COC(=O)c1cnn2c1CCCC2 ZINC000125705200 590182352 /nfs/dbraw/zinc/18/23/52/590182352.db2.gz ZXHCSRXGWLWYRD-UHFFFAOYSA-N 0 0 236.315 2.422 10 0 BEAERN O=C(C[C@@H]1CCOc2ccccc21)OCCF ZINC000125744829 590186341 /nfs/dbraw/zinc/18/63/41/590186341.db2.gz OCJSLTFPNVBKMU-JTQLQIEISA-N 0 0 238.258 2.456 10 0 BEAERN CO[C@@H](C)COC(=O)CCCC[C@H](C)C(C)=O ZINC000126122275 590234964 /nfs/dbraw/zinc/23/49/64/590234964.db2.gz LRZLKWRAKPQEQC-QWRGUYRKSA-N 0 0 244.331 2.350 10 0 BEAERN CCc1oc(C(=O)OCC(=O)C2CC2)cc1C ZINC000126201550 590252330 /nfs/dbraw/zinc/25/23/30/590252330.db2.gz GOFBNLZCILUBEO-UHFFFAOYSA-N 0 0 236.267 2.286 10 0 BEAERN CCC(CC)OC(=O)[C@H]1CC[C@H](C)O1 ZINC000126461680 590313375 /nfs/dbraw/zinc/31/33/75/590313375.db2.gz ZVVSWZIHSMXBDG-WCBMZHEXSA-N 0 0 200.278 2.286 10 0 BEAERN CCCC[C@H](C)OC(=O)c1cnn(C)c1C ZINC000126683513 590413385 /nfs/dbraw/zinc/41/33/85/590413385.db2.gz FULAFOXZPWXNES-VIFPVBQESA-N 0 0 224.304 2.464 10 0 BEAERN CCCCCCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000126709472 590420817 /nfs/dbraw/zinc/42/08/17/590420817.db2.gz DULGNODIJYYEDC-GHMZBOCLSA-N 0 0 213.321 2.250 10 0 BEAERN CC1(OC(=O)CCOC[C@@H]2CCCO2)CCC1 ZINC000126771904 590442080 /nfs/dbraw/zinc/44/20/80/590442080.db2.gz GOJLGUJUUNCNNZ-NSHDSACASA-N 0 0 242.315 2.058 10 0 BEAERN CCc1cc(C(=O)OCCOC)oc1CC ZINC000126875728 590479439 /nfs/dbraw/zinc/47/94/39/590479439.db2.gz JAXVNAGOGJENQF-UHFFFAOYSA-N 0 0 226.272 2.208 10 0 BEAERN CCc1cccc(CC(=O)OC[C@H]2CCOC2)c1 ZINC000126884862 590490893 /nfs/dbraw/zinc/49/08/93/590490893.db2.gz MUGOVHVMBFVEQY-AWEZNQCLSA-N 0 0 248.322 2.371 10 0 BEAERN CCN1CCCC[C@@H]1C(=O)O[C@@H](C)C(C)C ZINC000126958500 590514710 /nfs/dbraw/zinc/51/47/10/590514710.db2.gz GDZTYSRALHGVCG-NWDGAFQWSA-N 0 0 227.348 2.449 10 0 BEAERN CC(C)OC(=O)N[C@@H](C)Cc1ccco1 ZINC000127094359 590562312 /nfs/dbraw/zinc/56/23/12/590562312.db2.gz CXBUIVKWDGJNNH-VIFPVBQESA-N 0 0 211.261 2.345 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)O[C@@H](C)C(C)C ZINC000127190335 590589004 /nfs/dbraw/zinc/58/90/04/590589004.db2.gz XCSBKSGVDCHJQH-JTQLQIEISA-N 0 0 224.304 2.238 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000127188984 590589461 /nfs/dbraw/zinc/58/94/61/590589461.db2.gz TYXQFSVMFBABEA-KXUCPTDWSA-N 0 0 200.278 2.142 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(N(C)C)cc2)O1 ZINC000127199026 590589951 /nfs/dbraw/zinc/58/99/51/590589951.db2.gz JUEUTJVRZNECCU-MFKMUULPSA-N 0 0 248.326 2.259 10 0 BEAERN COC(=O)[C@H](CC(C)C)OC(=O)[C@H]1CC1(C)C ZINC000127327026 590621889 /nfs/dbraw/zinc/62/18/89/590621889.db2.gz NAQCKPOQYNSMQL-ZJUUUORDSA-N 0 0 242.315 2.163 10 0 BEAERN C=COCCOC(=O)[C@H](C)c1ccccc1 ZINC000127357611 590625612 /nfs/dbraw/zinc/62/56/12/590625612.db2.gz DOMNTDCEBQXGKN-LLVKDONJSA-N 0 0 220.268 2.493 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000127393401 590636556 /nfs/dbraw/zinc/63/65/56/590636556.db2.gz MYOMPOWULHYEFX-VHSXEESVSA-N 0 0 243.347 2.125 10 0 BEAERN CO[C@H](C)CCOC(=O)C(C1CC1)C1CC1 ZINC000127531845 590702245 /nfs/dbraw/zinc/70/22/45/590702245.db2.gz WTMRERYVZSMOHV-SECBINFHSA-N 0 0 226.316 2.391 10 0 BEAERN CO[C@@H](C)CCOC(=O)[C@H]1CC1(C)C ZINC000127532131 590702619 /nfs/dbraw/zinc/70/26/19/590702619.db2.gz UTOYIQAKIXMXHF-DTWKUNHWSA-N 0 0 200.278 2.001 10 0 BEAERN CC(=O)c1cc(C(=O)O[C@@H](C)C(C)C)n(C)c1 ZINC000127547593 590703746 /nfs/dbraw/zinc/70/37/46/590703746.db2.gz GMVSRMCPKKRSGU-JTQLQIEISA-N 0 0 237.299 2.429 10 0 BEAERN CC(C)[C@H](C)OC(=O)CCOC[C@@H]1CCCO1 ZINC000127898814 590841688 /nfs/dbraw/zinc/84/16/88/590841688.db2.gz GNJDNFDHILGPOY-RYUDHWBXSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CCOC[C@@H]1CCCO1 ZINC000127898637 590841871 /nfs/dbraw/zinc/84/18/71/590841871.db2.gz GNJDNFDHILGPOY-NEPJUHHUSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)[C@H](C)OC(=O)CCNC(=O)C(C)(C)C ZINC000127941115 590850246 /nfs/dbraw/zinc/85/02/46/590850246.db2.gz VWTDDVVTGGYCGH-JTQLQIEISA-N 0 0 243.347 2.127 10 0 BEAERN CCN(CC)C(=O)CCC(=O)O[C@H](C)C(C)C ZINC000127993304 590864730 /nfs/dbraw/zinc/86/47/30/590864730.db2.gz MRJGIERVFNXGPM-LLVKDONJSA-N 0 0 243.347 2.223 10 0 BEAERN COC[C@H](OC(=O)[C@H]1CC1(C)C)C1CC1 ZINC000128035159 590881451 /nfs/dbraw/zinc/88/14/51/590881451.db2.gz UOHQNSDUZPSGJC-ZJUUUORDSA-N 0 0 212.289 2.001 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H](C)OCC1CC1 ZINC000128073908 590886422 /nfs/dbraw/zinc/88/64/22/590886422.db2.gz KDIPVYCKDDDKQZ-VHSXEESVSA-N 0 0 214.305 2.389 10 0 BEAERN CC1(C)CC[C@@H](NC(=O)n2ccnc2)C1 ZINC000128073135 590886477 /nfs/dbraw/zinc/88/64/77/590886477.db2.gz LWOHHQVEGLQQBE-SECBINFHSA-N 0 0 207.277 2.020 10 0 BEAERN CC1(C)CC[C@H](NC(=O)n2ccnc2)C1 ZINC000128072890 590886596 /nfs/dbraw/zinc/88/65/96/590886596.db2.gz LWOHHQVEGLQQBE-VIFPVBQESA-N 0 0 207.277 2.020 10 0 BEAERN Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)C(C)C ZINC000128127564 590908023 /nfs/dbraw/zinc/90/80/23/590908023.db2.gz ZCMRQTFXZOBKSA-NSHDSACASA-N 0 0 238.331 2.167 10 0 BEAERN CSC(C)(C)CNC(=O)N1CCCCC1 ZINC000128332978 590998065 /nfs/dbraw/zinc/99/80/65/590998065.db2.gz QGUZIJXAGIGPQX-UHFFFAOYSA-N 0 0 230.377 2.324 10 0 BEAERN CC/C=C/COC(=O)[C@H]1CSCCS1 ZINC000128436441 591040616 /nfs/dbraw/zinc/04/06/16/591040616.db2.gz MNZAMJFRSHRVDR-CDAZIORVSA-N 0 0 232.370 2.344 10 0 BEAERN O=C(OC1(C2CC2)CC1)[C@@H]1CSCCS1 ZINC000128487075 591090987 /nfs/dbraw/zinc/09/09/87/591090987.db2.gz RUBOAYLPGVIJSJ-VIFPVBQESA-N 0 0 244.381 2.321 10 0 BEAERN COC(=O)c1coc(CNc2nccs2)c1 ZINC000128706840 591153038 /nfs/dbraw/zinc/15/30/38/591153038.db2.gz LFWNWORKVYPAIV-UHFFFAOYSA-N 0 0 238.268 2.135 10 0 BEAERN Cc1ccc(CCn2ccc([C@H](C)O)n2)cc1 ZINC000128871735 591171446 /nfs/dbraw/zinc/17/14/46/591171446.db2.gz TXZULVUFESNETR-LBPRGKRZSA-N 0 0 230.311 2.488 10 0 BEAERN C[C@H](O)c1cccc(OCc2ccn(C)n2)c1 ZINC000211618779 591209189 /nfs/dbraw/zinc/20/91/89/591209189.db2.gz RWCKLXNSIMOVOZ-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)N2CCCC2)C1 ZINC000130198974 591447742 /nfs/dbraw/zinc/44/77/42/591447742.db2.gz ZTOLQXLBGUPQHE-NSHDSACASA-N 0 0 210.321 2.180 10 0 BEAERN CS[C@H](C)CNC(=O)CSC(C)(C)C ZINC000130328951 591459208 /nfs/dbraw/zinc/45/92/08/591459208.db2.gz WMSXDCHYKNRIEM-MRVPVSSYSA-N 0 0 235.418 2.386 10 0 BEAERN C[C@@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@@H](C)O1 ZINC000130531731 591480105 /nfs/dbraw/zinc/48/01/05/591480105.db2.gz RKNVBICJERLUOB-RKDXNWHRSA-N 0 0 248.282 2.010 10 0 BEAERN CCO[C@@H]1C[C@@H](OC(=O)C2CC2)C12CCC2 ZINC000130619330 591488260 /nfs/dbraw/zinc/48/82/60/591488260.db2.gz CUIKJZRMLCWBIO-GHMZBOCLSA-N 0 0 224.300 2.287 10 0 BEAERN CC(C)CN1C[C@H](c2ccc(N)cc2)OC1=O ZINC000214056929 591531933 /nfs/dbraw/zinc/53/19/33/591531933.db2.gz WWFRUWWRIGISIQ-GFCCVEGCSA-N 0 0 234.299 2.418 10 0 BEAERN Cc1nccn1-c1ccc(C)cc1C=O ZINC000214235068 591540806 /nfs/dbraw/zinc/54/08/06/591540806.db2.gz QJMMAZHJIRRICO-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN CCC(CC)C(=O)OCCN1CCSCC1 ZINC000131142854 591559312 /nfs/dbraw/zinc/55/93/12/591559312.db2.gz DWFKZXWDDHDBMV-UHFFFAOYSA-N 0 0 245.388 2.015 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(F)n1 ZINC000131304771 591587968 /nfs/dbraw/zinc/58/79/68/591587968.db2.gz XOZNRZZGYXWVFK-VHSXEESVSA-N 0 0 236.290 2.481 10 0 BEAERN CC[C@H](SC)C(=O)O[C@@H](COC)C1CC1 ZINC000131672247 591636554 /nfs/dbraw/zinc/63/65/54/591636554.db2.gz RNOWXTRQSNUYLX-UWVGGRQHSA-N 0 0 232.345 2.096 10 0 BEAERN Cc1cc(OC(=O)CCn2cccn2)ccc1F ZINC000131797930 591659315 /nfs/dbraw/zinc/65/93/15/591659315.db2.gz BVLGUFGXMLPCLQ-UHFFFAOYSA-N 0 0 248.257 2.326 10 0 BEAERN COC[C@@H](OC(=O)c1occc1C)C1CC1 ZINC000131995861 591681717 /nfs/dbraw/zinc/68/17/17/591681717.db2.gz NKNHNOHOGAQYPP-SNVBAGLBSA-N 0 0 224.256 2.170 10 0 BEAERN CCc1ccc(C(=O)OCC(=O)C2CC2)s1 ZINC000132155694 591690062 /nfs/dbraw/zinc/69/00/62/591690062.db2.gz RAVFSRNHLLPFCL-UHFFFAOYSA-N 0 0 238.308 2.446 10 0 BEAERN COC[C@H](OC(=O)c1ccsc1)C1CC1 ZINC000132291462 591698282 /nfs/dbraw/zinc/69/82/82/591698282.db2.gz XXOPTPSXMIZETK-JTQLQIEISA-N 0 0 226.297 2.330 10 0 BEAERN COC[C@@H](OC(=O)c1ccsc1)C1CC1 ZINC000132291652 591698474 /nfs/dbraw/zinc/69/84/74/591698474.db2.gz XXOPTPSXMIZETK-SNVBAGLBSA-N 0 0 226.297 2.330 10 0 BEAERN COC[C@@H](OC(=O)CC(C)(C)C)C1CC1 ZINC000132298478 591699778 /nfs/dbraw/zinc/69/97/78/591699778.db2.gz AKUQXHWBEPUFHD-SNVBAGLBSA-N 0 0 214.305 2.391 10 0 BEAERN COC(=O)[C@H](C)c1cccc2c1OCCC2 ZINC000132560870 591720095 /nfs/dbraw/zinc/72/00/95/591720095.db2.gz YXSXMZAONWNWRK-SECBINFHSA-N 0 0 220.268 2.288 10 0 BEAERN CCc1noc(C)c1NC(=O)c1ccnc(F)c1 ZINC000132577231 591720198 /nfs/dbraw/zinc/72/01/98/591720198.db2.gz MBVXHSHHZYHIGG-UHFFFAOYSA-N 0 0 249.245 2.332 10 0 BEAERN CCCSCC(=O)O[C@@H](COC)C1CC1 ZINC000132597248 591722614 /nfs/dbraw/zinc/72/26/14/591722614.db2.gz ZLOHNTHDHQDUTJ-JTQLQIEISA-N 0 0 232.345 2.098 10 0 BEAERN C[C@H](O)c1ccn(CCN(C)c2ccccc2)n1 ZINC000133717320 591850260 /nfs/dbraw/zinc/85/02/60/591850260.db2.gz HTHLYLTXUDLLRL-LBPRGKRZSA-N 0 0 245.326 2.073 10 0 BEAERN C[C@H](O)c1ccn(Cc2ccc(F)cc2F)n1 ZINC000133723537 591851198 /nfs/dbraw/zinc/85/11/98/591851198.db2.gz PPTXEHBVEAQWIQ-QMMMGPOBSA-N 0 0 238.237 2.263 10 0 BEAERN CCCCOC(=O)CCc1cccnc1 ZINC000133782176 591857688 /nfs/dbraw/zinc/85/76/88/591857688.db2.gz YESACHRPHGLHCK-UHFFFAOYSA-N 0 0 207.273 2.358 10 0 BEAERN C[C@H](O)c1ccn(CCOc2ccccc2)n1 ZINC000133805420 591860181 /nfs/dbraw/zinc/86/01/81/591860181.db2.gz YVTPKAAHJOSZIN-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN CCCCCOC(=O)c1ncccc1N ZINC000133949483 591870013 /nfs/dbraw/zinc/87/00/13/591870013.db2.gz OKNIKEZGIJSGQV-UHFFFAOYSA-N 0 0 208.261 2.011 10 0 BEAERN CCC1(C(=O)OCCNc2cccnn2)CCC1 ZINC000134110970 591887259 /nfs/dbraw/zinc/88/72/59/591887259.db2.gz ZTSHXPHCQNRYJF-UHFFFAOYSA-N 0 0 249.314 2.012 10 0 BEAERN COc1ccc([C@H]2CCCC(=O)N2)cc1 ZINC000214962149 591909749 /nfs/dbraw/zinc/90/97/49/591909749.db2.gz RQHAEDMFXQGDNB-LLVKDONJSA-N 0 0 205.257 2.036 10 0 BEAERN COCc1ccccc1C(=O)Nc1n[nH]cc1C ZINC000134669863 591946574 /nfs/dbraw/zinc/94/65/74/591946574.db2.gz ZGSCYGYZJVUGJV-UHFFFAOYSA-N 0 0 245.282 2.117 10 0 BEAERN Cc1c[nH]nc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000134686447 591947497 /nfs/dbraw/zinc/94/74/97/591947497.db2.gz NMTCLAOIGKPWQQ-NWDGAFQWSA-N 0 0 241.294 2.460 10 0 BEAERN CCC(CC)OC(=O)CCSCC(=O)OC ZINC000135332228 592007945 /nfs/dbraw/zinc/00/79/45/592007945.db2.gz YCUKBJOLNYDDTJ-UHFFFAOYSA-N 0 0 248.344 2.015 10 0 BEAERN CCOC1=N[C@H](C(C)(C)C)C(OCC)=NC1 ZINC000135751742 592044744 /nfs/dbraw/zinc/04/47/44/592044744.db2.gz PKWUUSBZAJTRRM-JTQLQIEISA-N 0 0 226.320 2.285 10 0 BEAERN CC[C@H]1CN(C[C@@H](O)c2ccccc2C)CCO1 ZINC000216923550 592091361 /nfs/dbraw/zinc/09/13/61/592091361.db2.gz KUYBMQBTXVRZDB-DZGCQCFKSA-N 0 0 249.354 2.139 10 0 BEAERN Fc1cnccc1-c1nnc([C@@H]2CCCOC2)o1 ZINC000886039475 592139244 /nfs/dbraw/zinc/13/92/44/592139244.db2.gz JPUULCQYWGWPRM-MRVPVSSYSA-N 0 0 249.245 2.165 10 0 BEAERN O=C(C(F)F)N1CCC[C@H](C(F)(F)F)C1 ZINC000220222086 592292078 /nfs/dbraw/zinc/29/20/78/592292078.db2.gz HUDVWIHYICJJFS-YFKPBYRVSA-N 0 0 231.164 2.052 10 0 BEAERN Cc1nc(Cl)cc(N[C@@]2(C)CCCOC2)n1 ZINC000221178288 592399051 /nfs/dbraw/zinc/39/90/51/592399051.db2.gz VWCVMSPJQHUEGX-NSHDSACASA-N 0 0 241.722 2.419 10 0 BEAERN CC(C)c1c(N)n[nH]c1[C@@]1(C)CCCO1 ZINC000300795220 592520026 /nfs/dbraw/zinc/52/00/26/592520026.db2.gz VHFQAZYYGWVTJX-LLVKDONJSA-N 0 0 209.293 2.141 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1C1CCCCCCC1 ZINC000300837092 592521554 /nfs/dbraw/zinc/52/15/54/592521554.db2.gz IVOIQHMFWCLJOM-RYUDHWBXSA-N 0 0 225.332 2.267 10 0 BEAERN O=c1nc(Cl)cc2n1CCc1ccccc1-2 ZINC000114749696 592709496 /nfs/dbraw/zinc/70/94/96/592709496.db2.gz HKFTWCYLLSCXHM-UHFFFAOYSA-N 0 0 232.670 2.120 10 0 BEAERN O=Cc1cnc(N2CCC[C@@H]2C2CCCC2)nc1 ZINC000126307548 592724005 /nfs/dbraw/zinc/72/40/05/592724005.db2.gz OQNHOGLOSWLSFT-CYBMUJFWSA-N 0 0 245.326 2.448 10 0 BEAERN C[C@@H](N[C@H](C)c1ncc[nH]1)c1cncs1 ZINC000124701815 634430237 /nfs/dbraw/zinc/43/02/37/634430237.db2.gz DAYZDDCETZRHBC-HTQZYQBOSA-N 0 0 222.317 2.278 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1N ZINC000233388220 635532664 /nfs/dbraw/zinc/53/26/64/635532664.db2.gz ULSJVCFUSXINNU-QPUJVOFHSA-N 0 0 236.290 2.326 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC/C=C/Br)O1 ZINC000308402990 631326270 /nfs/dbraw/zinc/32/62/70/631326270.db2.gz JTPWOGNTMBSEFQ-WESAQQHOSA-N 0 0 249.104 2.006 10 0 BEAERN CS[C@@H](C)CC(=O)O[C@H](C)C1CCOCC1 ZINC000157938082 631378360 /nfs/dbraw/zinc/37/83/60/631378360.db2.gz CNEFXUGSYUOFEJ-VHSXEESVSA-N 0 0 246.372 2.486 10 0 BEAERN CC(C)COc1ncc(N)cc1Br ZINC000086481734 631469545 /nfs/dbraw/zinc/46/95/45/631469545.db2.gz YKCMOYRJVHCRNC-UHFFFAOYSA-N 0 0 245.120 2.461 10 0 BEAERN C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H]1CCOC1 ZINC000176191908 631651552 /nfs/dbraw/zinc/65/15/52/631651552.db2.gz DYLVOBRRDAVVQX-JTLRNRKASA-N 0 0 224.300 2.001 10 0 BEAERN CC[C@@H](C)c1noc([C@H](N)CC2CC2)n1 ZINC000308887494 631718264 /nfs/dbraw/zinc/71/82/64/631718264.db2.gz XEQKMBLIOGVWEQ-VXNVDRBHSA-N 0 0 209.293 2.383 10 0 BEAERN CC(C)Cc1nn(C)c(N)c1CC(C)C ZINC000043375663 631775813 /nfs/dbraw/zinc/77/58/13/631775813.db2.gz HLIGYFPJWYNBSK-UHFFFAOYSA-N 0 0 209.337 2.399 10 0 BEAERN Cc1cnn(CCC(=O)OC[C@@H]2CC=CCC2)c1 ZINC000127684925 631871430 /nfs/dbraw/zinc/87/14/30/631871430.db2.gz RYTXQJKFLMBZEW-CYBMUJFWSA-N 0 0 248.326 2.481 10 0 BEAERN Cc1nc(C)n(-c2ccc(C=O)cc2C)n1 ZINC000050545115 632002413 /nfs/dbraw/zinc/00/24/13/632002413.db2.gz PRHXJTUNWIKPMV-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN CC[C@@H](C)NC(=O)CSC(C)(C)C ZINC000121664224 632073564 /nfs/dbraw/zinc/07/35/64/632073564.db2.gz ZADUZNWAWDSPJP-MRVPVSSYSA-N 0 0 203.351 2.433 10 0 BEAERN CCC[C@@H]([NH3+])c1ccc([O-])c(F)c1F ZINC000238237131 632076845 /nfs/dbraw/zinc/07/68/45/632076845.db2.gz PCXWDAODWFHINY-SSDOTTSWSA-N 0 0 201.216 2.470 10 0 BEAERN Cc1cccc(CN(C)C(=O)n2ccnc2)c1 ZINC000108280599 635766231 /nfs/dbraw/zinc/76/62/31/635766231.db2.gz QEYLZTJRBRLZDJ-UHFFFAOYSA-N 0 0 229.283 2.292 10 0 BEAERN O=C([O-])c1coc(C[NH2+]C2CCCCC2)c1 ZINC000128664212 632413774 /nfs/dbraw/zinc/41/37/74/632413774.db2.gz KNTCHLBIZFSWAU-UHFFFAOYSA-N 0 0 223.272 2.400 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000074629567 632456752 /nfs/dbraw/zinc/45/67/52/632456752.db2.gz GAINJWRKAYZPIO-SECBINFHSA-N 0 0 244.298 2.000 10 0 BEAERN Nc1cnc(-c2cc3ccccc3o2)cn1 ZINC000067674577 632579436 /nfs/dbraw/zinc/57/94/36/632579436.db2.gz ZHFIQKAOCCUSML-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000034444853 632731144 /nfs/dbraw/zinc/73/11/44/632731144.db2.gz XUFBETUUQRMWRY-NXEZZACHSA-N 0 0 229.320 2.062 10 0 BEAERN CC(C)N(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000255776028 632732305 /nfs/dbraw/zinc/73/23/05/632732305.db2.gz QYXSKKMDFIBJGI-KTKRTIGZSA-N 0 0 239.340 2.327 10 0 BEAERN COc1c(C)cc(C(=O)N[C@H]2C[C@H]2C)cc1C ZINC000179901841 632806008 /nfs/dbraw/zinc/80/60/08/632806008.db2.gz ICWWFORPBWITNY-PELKAZGASA-N 0 0 233.311 2.450 10 0 BEAERN O=C([O-])C[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000309319489 632932484 /nfs/dbraw/zinc/93/24/84/632932484.db2.gz AAPWSBCAMCURHH-XJIUSYNZSA-N 0 0 231.723 2.316 10 0 BEAERN C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC000163015827 633043981 /nfs/dbraw/zinc/04/39/81/633043981.db2.gz UPIOHOSJESVVDJ-GXSJLCMTSA-N 0 0 249.310 2.352 10 0 BEAERN CCNc1nc(C)c(C(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000309615706 633211324 /nfs/dbraw/zinc/21/13/24/633211324.db2.gz CTHWVAKEDBQOKA-POYBYMJQSA-N 0 0 239.344 2.022 10 0 BEAERN Cc1cc(-c2ncc(N)cc2C)sn1 ZINC000306274342 635960472 /nfs/dbraw/zinc/96/04/72/635960472.db2.gz BPNPIGOJJJUCNK-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1csc(CNC(=O)n2ccnc2)c1 ZINC000306480373 635967994 /nfs/dbraw/zinc/96/79/94/635967994.db2.gz BZOCQAMFQYVOSB-UHFFFAOYSA-N 0 0 221.285 2.011 10 0 BEAERN Cc1c(N)n[nH]c1-c1cccc(F)c1F ZINC000054207314 636133318 /nfs/dbraw/zinc/13/33/18/636133318.db2.gz HHDXEYXITNXVJM-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN CCC(=O)N1CCN(c2ccccc2)[C@H](C)C1 ZINC000062690683 633771604 /nfs/dbraw/zinc/77/16/04/633771604.db2.gz PAITVFGDCOMZNT-GFCCVEGCSA-N 0 0 232.327 2.134 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000309901636 633916693 /nfs/dbraw/zinc/91/66/93/633916693.db2.gz HYCZELZCWBTJGU-RNFRBKRXSA-N 0 0 234.221 2.282 10 0 BEAERN COC(=O)c1ccc(N[C@H](C)C(C)C)nc1 ZINC000309669916 633986089 /nfs/dbraw/zinc/98/60/89/633986089.db2.gz VQHABLQDPYGPEB-SECBINFHSA-N 0 0 222.288 2.325 10 0 BEAERN CC[C@H](NC(=O)c1cnc(NC)s1)C(C)C ZINC000309684116 633988112 /nfs/dbraw/zinc/98/81/12/633988112.db2.gz GXVBHUHLCWBKEJ-QMMMGPOBSA-N 0 0 241.360 2.349 10 0 BEAERN C[C@H](O)c1ccn(Cc2c(F)cccc2F)n1 ZINC000185479408 634047158 /nfs/dbraw/zinc/04/71/58/634047158.db2.gz OIPQDBZQQWZDMF-QMMMGPOBSA-N 0 0 238.237 2.263 10 0 BEAERN CCCOC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000310263741 634103075 /nfs/dbraw/zinc/10/30/75/634103075.db2.gz RAJOLYQHXNYTOX-NSHDSACASA-N 0 0 237.303 2.104 10 0 BEAERN C#CCN(C(=O)[C@H]1CCCO[C@@H]1C)C1CCCC1 ZINC000189267565 634176297 /nfs/dbraw/zinc/17/62/97/634176297.db2.gz XAPSALXXUMPOKF-OCCSQVGLSA-N 0 0 249.354 2.206 10 0 BEAERN CCOC[C@H](C)OC(=O)C[C@H](C)SC ZINC000190788933 634193430 /nfs/dbraw/zinc/19/34/30/634193430.db2.gz RUOTYHNAWVGCSQ-IUCAKERBSA-N 0 0 220.334 2.096 10 0 BEAERN CCOC[C@H](C)OC(=O)c1sccc1OC ZINC000190784033 634193855 /nfs/dbraw/zinc/19/38/55/634193855.db2.gz XFSOUYVDRHQWHS-QMMMGPOBSA-N 0 0 244.312 2.339 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H](CC)SC ZINC000190764240 634193897 /nfs/dbraw/zinc/19/38/97/634193897.db2.gz YEBZMFVXGRYMGB-IUCAKERBSA-N 0 0 220.334 2.096 10 0 BEAERN CCOC[C@H](C)OC(=O)c1cc(C#N)cs1 ZINC000190777763 634194413 /nfs/dbraw/zinc/19/44/13/634194413.db2.gz KCRJNDBTLXETEP-QMMMGPOBSA-N 0 0 239.296 2.202 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)O[C@@H](C#N)C(C)(C)C ZINC000192285241 634229360 /nfs/dbraw/zinc/22/93/60/634229360.db2.gz KOKBFOFKHUIQRD-AXFHLTTASA-N 0 0 239.315 2.283 10 0 BEAERN O[C@H]1CCN(C[C@@H]2CCCCO2)c2ccccc21 ZINC000123443077 634240013 /nfs/dbraw/zinc/24/00/13/634240013.db2.gz KGYDFKYPRLVDLS-WFASDCNBSA-N 0 0 247.338 2.499 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)CCSC(F)(F)F ZINC000123586176 634247315 /nfs/dbraw/zinc/24/73/15/634247315.db2.gz TXTPWSSKSWNSAC-LURJTMIESA-N 0 0 245.266 2.034 10 0 BEAERN O[C@]12CCCC[C@H]1CN(c1nccs1)CC2 ZINC000220343254 634266724 /nfs/dbraw/zinc/26/67/24/634266724.db2.gz ZRFNDRVLTMWDPI-JQWIXIFHSA-N 0 0 238.356 2.275 10 0 BEAERN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)C1CCC1 ZINC000123968292 634336703 /nfs/dbraw/zinc/33/67/03/634336703.db2.gz LSQFSYFUGLVIGY-QMMMGPOBSA-N 0 0 223.272 2.256 10 0 BEAERN CN[C@H](C)c1nc(Cc2ccccc2F)no1 ZINC000054053286 635339079 /nfs/dbraw/zinc/33/90/79/635339079.db2.gz FTTSLEWAGQOEFP-MRVPVSSYSA-N 0 0 235.262 2.080 10 0 BEAERN CC(=O)c1ccc(-n2nc(C)cc2C)cn1 ZINC000148002221 636211202 /nfs/dbraw/zinc/21/12/02/636211202.db2.gz FMQKUPVMCRPZER-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN Cc1c(N)n(C)nc1-c1cccc(C)c1 ZINC000034976130 636342909 /nfs/dbraw/zinc/34/29/09/636342909.db2.gz MPBSPAWCLMRXGN-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN COc1cccc(/C=N\Cc2cscn2)c1O ZINC000050234200 636569293 /nfs/dbraw/zinc/56/92/93/636569293.db2.gz JULBACSOEMYSKN-ACAGNQJTSA-N 0 0 248.307 2.476 10 0 BEAERN C[C@H](O)c1cccc(OCc2ncccn2)c1 ZINC000054460585 636711966 /nfs/dbraw/zinc/71/19/66/636711966.db2.gz QZJPBTLDBVSHDT-JTQLQIEISA-N 0 0 230.267 2.109 10 0 BEAERN Cc1ccc(CC(=O)OC[C@H]2CCOC2)s1 ZINC000128013786 636985349 /nfs/dbraw/zinc/98/53/49/636985349.db2.gz HNBMYJURWMDACJ-JTQLQIEISA-N 0 0 240.324 2.179 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC000346370942 637092913 /nfs/dbraw/zinc/09/29/13/637092913.db2.gz GGYQYEZIBXWFML-WDEREUQCSA-N 0 0 247.338 2.065 10 0 BEAERN Cc1cc(Cl)cc(C(=O)N[C@@H](C)[C@@H](C)O)c1 ZINC000346372593 637093597 /nfs/dbraw/zinc/09/35/97/637093597.db2.gz AGKATEMLQGXGGO-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000346421974 637116428 /nfs/dbraw/zinc/11/64/28/637116428.db2.gz VKCNHBPPSXNTHR-WDEREUQCSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)CC1CCCCCC1 ZINC000346422943 637118450 /nfs/dbraw/zinc/11/84/50/637118450.db2.gz PQHKCWLGYFNBJZ-WDEREUQCSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC000346508043 637158959 /nfs/dbraw/zinc/15/89/59/637158959.db2.gz NSTZNIKJBJOPPG-GHMZBOCLSA-N 0 0 243.306 2.339 10 0 BEAERN O=C1C[C@@H](c2cc3ccccc3s2)N1 ZINC000149472835 638486248 /nfs/dbraw/zinc/48/62/48/638486248.db2.gz GCVLJRVFCTVWIZ-QMMMGPOBSA-N 0 0 203.266 2.462 10 0 BEAERN CCc1noc(COc2cccc([C@@H](C)O)c2)n1 ZINC000035627689 639764555 /nfs/dbraw/zinc/76/45/55/639764555.db2.gz KMJPDYJAMVFPCE-SECBINFHSA-N 0 0 248.282 2.264 10 0 BEAERN CCOCCOc1cccc([C@H](C)O)c1 ZINC000035627505 639766077 /nfs/dbraw/zinc/76/60/77/639766077.db2.gz GQLDKVNTVMUDIV-JTQLQIEISA-N 0 0 210.273 2.155 10 0 BEAERN C[C@H](NC(=O)c1cc(N)ccc1Cl)C1CC1 ZINC000035732615 639880250 /nfs/dbraw/zinc/88/02/50/639880250.db2.gz UQXXUEJNMBREKU-ZETCQYMHSA-N 0 0 238.718 2.451 10 0 BEAERN CCc1nc(-c2cc(Cl)ccc2N)n(C)n1 ZINC000054696986 640305468 /nfs/dbraw/zinc/30/54/68/640305468.db2.gz RCJDGBKOPILQDH-UHFFFAOYSA-N 0 0 236.706 2.280 10 0 BEAERN C[C@H](OC(=O)C1CC=CC1)C1CCOCC1 ZINC000151461721 640384704 /nfs/dbraw/zinc/38/47/04/640384704.db2.gz WCDLHOSDYNXACE-JTQLQIEISA-N 0 0 224.300 2.311 10 0 BEAERN CC(=O)OCCN1CCCc2ccccc21 ZINC000059713128 640433691 /nfs/dbraw/zinc/43/36/91/640433691.db2.gz RRVDUTSGSRKAFG-UHFFFAOYSA-N 0 0 219.284 2.002 10 0 BEAERN CC[C@H](NC(=O)c1sc(N)nc1C)C(C)C ZINC000055175668 640442782 /nfs/dbraw/zinc/44/27/82/640442782.db2.gz TYRUNGBBAZMSPU-QMMMGPOBSA-N 0 0 241.360 2.198 10 0 BEAERN Cc1c(Cl)cnn1CN1CCS[C@@H](C)C1 ZINC000156635564 640476163 /nfs/dbraw/zinc/47/61/63/640476163.db2.gz YISIUQWSMILJSV-QMMMGPOBSA-N 0 0 245.779 2.240 10 0 BEAERN Cc1cc(=O)n(CCCC(C)C)cc1N ZINC000165320323 640554972 /nfs/dbraw/zinc/55/49/72/640554972.db2.gz YDEUXXJVEQZBTQ-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN CCNc1nc(N2CCCC2)nc2[nH]c(C)cc21 ZINC000223929469 640593663 /nfs/dbraw/zinc/59/36/63/640593663.db2.gz NXJMWEPOASHZAF-UHFFFAOYSA-N 0 0 245.330 2.298 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)c2ccoc2)C1 ZINC000057792903 640637180 /nfs/dbraw/zinc/63/71/80/640637180.db2.gz VIPQDIBEIKLUGF-MNOVXSKESA-N 0 0 224.256 2.394 10 0 BEAERN CCc1cc(C(=O)N[C@@H]2C[C@@H]2C)cc(Cl)n1 ZINC000166556266 640648567 /nfs/dbraw/zinc/64/85/67/640648567.db2.gz ANHXPUDQSQAXCC-OIBJUYFYSA-N 0 0 238.718 2.436 10 0 BEAERN C[C@]([NH3+])(CC(=O)[O-])c1ccc(Cl)s1 ZINC000057939654 640649660 /nfs/dbraw/zinc/64/96/60/640649660.db2.gz BXQDJYFVIIEZFM-QMMMGPOBSA-N 0 0 219.693 2.050 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)n2ccnc2)[C@@H](C)C1 ZINC000226198136 640740588 /nfs/dbraw/zinc/74/05/88/640740588.db2.gz PFEPVCODFNKKAU-OUAUKWLOSA-N 0 0 221.304 2.266 10 0 BEAERN CC(C)n1cnc(-c2ccc(N)cc2)n1 ZINC000168125411 640786325 /nfs/dbraw/zinc/78/63/25/640786325.db2.gz PJAFXBMGYNZPTG-UHFFFAOYSA-N 0 0 202.261 2.108 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)C(F)(F)C(F)F ZINC000226698454 640790136 /nfs/dbraw/zinc/79/01/36/640790136.db2.gz SXSVZQFSEBEGEF-NTSWFWBYSA-N 0 0 227.201 2.192 10 0 BEAERN CC(C)c1cn2cc([N+](=O)[O-])ccc2n1 ZINC000059613207 640821481 /nfs/dbraw/zinc/82/14/81/640821481.db2.gz YUVCQWPERWRNOF-UHFFFAOYSA-N 0 0 205.217 2.366 10 0 BEAERN CC(=O)c1ccnc(-n2nc(C)cc2C)c1 ZINC000087400537 640884220 /nfs/dbraw/zinc/88/42/20/640884220.db2.gz DMCHPCOQOLJZJD-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Oc1cc(C)cc(C)c1 ZINC000171175326 640961356 /nfs/dbraw/zinc/96/13/56/640961356.db2.gz TXQXXMFBCKHXHV-VXGBXAGGSA-N 0 0 248.278 2.018 10 0 BEAERN COC[C@H](C)C(=O)N1CCc2c(C)cccc2C1 ZINC000171545807 640990060 /nfs/dbraw/zinc/99/00/60/640990060.db2.gz GKAXIDKTPHNULL-LBPRGKRZSA-N 0 0 247.338 2.162 10 0 BEAERN Cc1c[nH]nc1NC(=O)[C@H]1CCC[C@H]1C ZINC000230058135 641013005 /nfs/dbraw/zinc/01/30/05/641013005.db2.gz TYQBRTNXRGNBKQ-APPZFPTMSA-N 0 0 207.277 2.093 10 0 BEAERN C[C@@H](NCc1ccoc1)c1nnc2ccccn21 ZINC000062103488 641020772 /nfs/dbraw/zinc/02/07/72/641020772.db2.gz GUECWDOOONSPFN-SNVBAGLBSA-N 0 0 242.282 2.173 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NOCC(F)(F)F ZINC000230174988 641031912 /nfs/dbraw/zinc/03/19/12/641031912.db2.gz ABVGDELWWYVVBB-NKWVEPMBSA-N 0 0 225.210 2.033 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCCCCCCO ZINC000230176582 641035418 /nfs/dbraw/zinc/03/54/18/641035418.db2.gz MBJJMLMMYZIJGL-NWDGAFQWSA-N 0 0 227.348 2.092 10 0 BEAERN CCCNc1cc(N[C@H]2C[C@H]2C)ncn1 ZINC000087827525 641059545 /nfs/dbraw/zinc/05/95/45/641059545.db2.gz GCXUXSUJNJOVHU-BDAKNGLRSA-N 0 0 206.293 2.119 10 0 BEAERN COC(=O)N1CCn2c(cc3ccccc32)C1 ZINC000062616636 641067306 /nfs/dbraw/zinc/06/73/06/641067306.db2.gz XATRFHOTYARBKA-UHFFFAOYSA-N 0 0 230.267 2.223 10 0 BEAERN COC1CC(Nc2cc(C(C)C)ncn2)C1 ZINC000230593006 641069004 /nfs/dbraw/zinc/06/90/04/641069004.db2.gz PRODGVIAKWZPSI-UHFFFAOYSA-N 0 0 221.304 2.189 10 0 BEAERN COC1CC(Nc2nc3ccccc3n2C)C1 ZINC000230599317 641071044 /nfs/dbraw/zinc/07/10/44/641071044.db2.gz CWFLFKYHHWGEBH-UHFFFAOYSA-N 0 0 231.299 2.163 10 0 BEAERN COC1CC(NC(=O)c2ccc(F)cc2C)C1 ZINC000230629312 641074413 /nfs/dbraw/zinc/07/44/13/641074413.db2.gz GBBAGNVGDJKWCD-UHFFFAOYSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1ccc([C@@H](O)c2cn[nH]c2)c(C)c1 ZINC000062778447 641089217 /nfs/dbraw/zinc/08/92/17/641089217.db2.gz GQDCAKPYQBISAG-LBPRGKRZSA-N 0 0 202.257 2.108 10 0 BEAERN CC[C@H](C)COC(=O)c1cc(N)ccc1OC ZINC000050427721 641145032 /nfs/dbraw/zinc/14/50/32/641145032.db2.gz XQPGHTJPUJFLPD-VIFPVBQESA-N 0 0 237.299 2.480 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=S)NCC(C)C ZINC000231647933 641191467 /nfs/dbraw/zinc/19/14/67/641191467.db2.gz BQTBZJJMMZFJAU-NXEZZACHSA-N 0 0 214.378 2.295 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=S)NC(C)C ZINC000231648004 641191708 /nfs/dbraw/zinc/19/17/08/641191708.db2.gz IYFMNTJKFJOLIN-IUCAKERBSA-N 0 0 200.351 2.048 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=S)NCCCOCC ZINC000231648062 641192070 /nfs/dbraw/zinc/19/20/70/641192070.db2.gz XAXBKIMNPRJFAK-WDEREUQCSA-N 0 0 244.404 2.066 10 0 BEAERN Cc1cnc([C@@H](C)Nc2cc(C)cnn2)o1 ZINC000231747487 641196413 /nfs/dbraw/zinc/19/64/13/641196413.db2.gz IYQJYDYSCCSDEP-SECBINFHSA-N 0 0 218.260 2.255 10 0 BEAERN Nc1ccnc2cc(-c3cccs3)nn21 ZINC000084482803 641358417 /nfs/dbraw/zinc/35/84/17/641358417.db2.gz IPTDZEPYHSXYJE-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CC(C)c1c(N)n[nH]c1-c1cncs1 ZINC000232726981 641395300 /nfs/dbraw/zinc/39/53/00/641395300.db2.gz QRTUPAUGQBPVHX-UHFFFAOYSA-N 0 0 208.290 2.239 10 0 BEAERN CC(=O)c1ccccc1-n1nc(C)nc1C ZINC000041062833 641541151 /nfs/dbraw/zinc/54/11/51/641541151.db2.gz RYSLNOTVVZFTTN-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN Cc1ccc(CCc2cc(N)n[nH]2)cc1 ZINC000041210783 641543560 /nfs/dbraw/zinc/54/35/60/641543560.db2.gz OSQGAULMGJPMTJ-UHFFFAOYSA-N 0 0 201.273 2.086 10 0 BEAERN CC[C@@H](C)OCC(=O)O[C@H](C)C1CCOCC1 ZINC000155249119 641562356 /nfs/dbraw/zinc/56/23/56/641562356.db2.gz GAMGUYWZDCUQGC-GHMZBOCLSA-N 0 0 244.331 2.160 10 0 BEAERN Cc1nccn1C[C@@H](O)c1ccccc1C ZINC000044180975 641590156 /nfs/dbraw/zinc/59/01/56/641590156.db2.gz KLKZXXCQJSJYQK-CYBMUJFWSA-N 0 0 216.284 2.234 10 0 BEAERN CCc1nccn1C[C@H](O)c1ccccc1C ZINC000044189678 641590246 /nfs/dbraw/zinc/59/02/46/641590246.db2.gz WYKGDTKQOBIFET-ZDUSSCGKSA-N 0 0 230.311 2.488 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)OCc2ccccc2)O1 ZINC000156196985 641597857 /nfs/dbraw/zinc/59/78/57/641597857.db2.gz IASCNVXDJWCXHI-AAEUAGOBSA-N 0 0 249.310 2.144 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CSC(F)(F)F ZINC000048077893 641675209 /nfs/dbraw/zinc/67/52/09/641675209.db2.gz VIBXJGXAYXCICC-ZCFIWIBFSA-N 0 0 229.267 2.400 10 0 BEAERN CONC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000048962535 641704914 /nfs/dbraw/zinc/70/49/14/641704914.db2.gz BIVXWVROFZUTRM-LLVKDONJSA-N 0 0 249.310 2.183 10 0 BEAERN CCC[C@@H]([NH2+]CCc1cccc(F)c1)C(=O)[O-] ZINC000216260966 641710362 /nfs/dbraw/zinc/71/03/62/641710362.db2.gz KWHZRWGDIZKYER-GFCCVEGCSA-N 0 0 239.290 2.211 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Oc2c(F)cccc2F)O1 ZINC000153415873 641783897 /nfs/dbraw/zinc/78/38/97/641783897.db2.gz KHIYPJUGIUJXPS-XCBNKYQSSA-N 0 0 242.221 2.438 10 0 BEAERN CCN(C(=O)[C@H]1CCCO[C@@H]1C)C(C)C ZINC000189148949 641791211 /nfs/dbraw/zinc/79/12/11/641791211.db2.gz NNEJQBJFURBPPR-MNOVXSKESA-N 0 0 213.321 2.058 10 0 BEAERN CCOC1CC(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000189635297 641815407 /nfs/dbraw/zinc/81/54/07/641815407.db2.gz LIIVFLGZDFHGID-UNXYVOJBSA-N 0 0 227.348 2.352 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@@H]2CCCCN2)n1 ZINC000232862901 641884319 /nfs/dbraw/zinc/88/43/19/641884319.db2.gz XDVIHNUBLITVMQ-IUCAKERBSA-N 0 0 221.304 2.398 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H]1CC1(Cl)Cl ZINC000190785895 641886764 /nfs/dbraw/zinc/88/67/64/641886764.db2.gz WFRDTVOFGHUJNE-BQBZGAKWSA-N 0 0 241.114 2.148 10 0 BEAERN C=C[C@@](C)(CCOC)COC(=O)[C@@H](C)COC ZINC000191170710 641904380 /nfs/dbraw/zinc/90/43/80/641904380.db2.gz CUGIHJSCMJVHNO-AAEUAGOBSA-N 0 0 244.331 2.041 10 0 BEAERN CC(C)COCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000191463653 641922546 /nfs/dbraw/zinc/92/25/46/641922546.db2.gz XMYDHMNTRQWPDS-NEPJUHHUSA-N 0 0 244.331 2.017 10 0 BEAERN CC[C@H](C)COC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192106382 641963494 /nfs/dbraw/zinc/96/34/94/641963494.db2.gz SWDJHIVDWFCZRB-HBNTYKKESA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)OCCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192109011 641963575 /nfs/dbraw/zinc/96/35/75/641963575.db2.gz ZKDQTPDPFVPUNG-VXGBXAGGSA-N 0 0 244.331 2.160 10 0 BEAERN C=CCCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192107785 641963721 /nfs/dbraw/zinc/96/37/21/641963721.db2.gz HYEMBFWXUIHFJS-WDEREUQCSA-N 0 0 212.289 2.311 10 0 BEAERN CCCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192106841 641963838 /nfs/dbraw/zinc/96/38/38/641963838.db2.gz BLMXNORGNJECHK-NXEZZACHSA-N 0 0 200.278 2.145 10 0 BEAERN CC(C)C[C@H]1CCN(C(=O)n2ccnc2)C1 ZINC000307795469 642312893 /nfs/dbraw/zinc/31/28/93/642312893.db2.gz DQUUZAVCYNCPFV-LLVKDONJSA-N 0 0 221.304 2.219 10 0 BEAERN Cc1occc1CN(C)Cc1ccc(N)nc1 ZINC000050817707 642336540 /nfs/dbraw/zinc/33/65/40/642336540.db2.gz JBTGJTFHFVLXIP-UHFFFAOYSA-N 0 0 231.299 2.197 10 0 BEAERN Cc1ccc(CN(C)Cc2ccc(N)nc2)o1 ZINC000050813460 642336699 /nfs/dbraw/zinc/33/66/99/642336699.db2.gz NOUPOGNFVOBBTN-UHFFFAOYSA-N 0 0 231.299 2.197 10 0 BEAERN CCSCCOC(=O)C1CC(C)C1 ZINC000308194862 642488597 /nfs/dbraw/zinc/48/85/97/642488597.db2.gz RMVRPZPEVQUXOJ-UHFFFAOYSA-N 0 0 202.319 2.329 10 0 BEAERN CCCSCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175225717 642661833 /nfs/dbraw/zinc/66/18/33/642661833.db2.gz ACEZXUFAEGQQBI-VHSXEESVSA-N 0 0 232.345 2.098 10 0 BEAERN C/C(=C\C(=O)O[C@H](C)[C@H]1CCOC1)C1CC1 ZINC000175220009 642663642 /nfs/dbraw/zinc/66/36/42/642663642.db2.gz RJLXJPWLSMCNFJ-VGDRSHSASA-N 0 0 224.300 2.311 10 0 BEAERN CC(C)CC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175234996 642665936 /nfs/dbraw/zinc/66/59/36/642665936.db2.gz WOEQDXFZJATIIF-NXEZZACHSA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)CC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175234978 642665947 /nfs/dbraw/zinc/66/59/47/642665947.db2.gz WOEQDXFZJATIIF-VHSXEESVSA-N 0 0 200.278 2.001 10 0 BEAERN CCCCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175236651 642665965 /nfs/dbraw/zinc/66/59/65/642665965.db2.gz KXVRQWDJHYYZPI-NXEZZACHSA-N 0 0 200.278 2.145 10 0 BEAERN Cc1cc(C(=O)O[C@@H](C)[C@H]2CCOC2)c(C)o1 ZINC000175287253 642670517 /nfs/dbraw/zinc/67/05/17/642670517.db2.gz CFPDQGAAHAJWEM-ONGXEEELSA-N 0 0 238.283 2.478 10 0 BEAERN C[C@H]1CN(C(=O)C(C)(Cl)Cl)CCS1 ZINC000180267294 642782029 /nfs/dbraw/zinc/78/20/29/642782029.db2.gz HIKRDYHCHFUDMS-LURJTMIESA-N 0 0 242.171 2.144 10 0 BEAERN CC(C)CC[C@@H](C)NC(=O)n1ccnc1 ZINC000068945315 642812738 /nfs/dbraw/zinc/81/27/38/642812738.db2.gz DJSCZPFJYOVBSA-SNVBAGLBSA-N 0 0 209.293 2.266 10 0 BEAERN COC(=O)[C@H](C)c1occc1Br ZINC000068980821 642815970 /nfs/dbraw/zinc/81/59/70/642815970.db2.gz TZFREFCGNYUVCD-RXMQYKEDSA-N 0 0 233.061 2.319 10 0 BEAERN CC(C)OCCCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000181575543 642884904 /nfs/dbraw/zinc/88/49/04/642884904.db2.gz IJFXCGHGWXNBRO-VXGBXAGGSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)OCCCNC(=O)CSC(C)(C)C ZINC000119632045 643062351 /nfs/dbraw/zinc/06/23/51/643062351.db2.gz NBMYTMCOYWOISB-UHFFFAOYSA-N 0 0 247.404 2.449 10 0 BEAERN CO[C@H](C)CCC(=O)O[C@@H](C)C1CCOCC1 ZINC000183327747 643105542 /nfs/dbraw/zinc/10/55/42/643105542.db2.gz ARKLGZHFAJRRBN-MNOVXSKESA-N 0 0 244.331 2.160 10 0 BEAERN CCc1ccccc1OC(=O)[C@@H](C)OC ZINC000120230769 643131360 /nfs/dbraw/zinc/13/13/60/643131360.db2.gz PYIPBNJUXWFTHW-SECBINFHSA-N 0 0 208.257 2.189 10 0 BEAERN COC[C@@H](C)C(=O)OCC1(C#N)CCCCC1 ZINC000183682099 643155506 /nfs/dbraw/zinc/15/55/06/643155506.db2.gz DWIYARGCPCZWFP-LLVKDONJSA-N 0 0 239.315 2.286 10 0 BEAERN C/C=C\COC(=O)C1CCC(C(=O)OC)CC1 ZINC000254953720 643178283 /nfs/dbraw/zinc/17/82/83/643178283.db2.gz SYOYBPZSOHZBEW-ARJAWSKDSA-N 0 0 240.299 2.085 10 0 BEAERN CN(C1CC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255001308 643219051 /nfs/dbraw/zinc/21/90/51/643219051.db2.gz XKJAJWITXNIYRQ-KTKRTIGZSA-N 0 0 237.324 2.081 10 0 BEAERN CCOC(=O)[C@@H]1OC12C[C@H](C)C[C@@H](C)C2 ZINC000227514616 643226766 /nfs/dbraw/zinc/22/67/66/643226766.db2.gz IEPDPPBQRRGFFG-BBBLOLIVSA-N 0 0 212.289 2.143 10 0 BEAERN CCc1csc2nc(CC)c(C=O)n12 ZINC000075395441 643251719 /nfs/dbraw/zinc/25/17/19/643251719.db2.gz SDHMAIQIHOGLGG-UHFFFAOYSA-N 0 0 208.286 2.333 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(c2nc(Cl)cs2)C1 ZINC000306866357 643266723 /nfs/dbraw/zinc/26/67/23/643266723.db2.gz NQNZCRVRJLDWNF-RNFRBKRXSA-N 0 0 232.736 2.004 10 0 BEAERN C[C@@H]1CCN[C@@H](c2nc(CC3CCC3)no2)C1 ZINC000306079877 643289414 /nfs/dbraw/zinc/28/94/14/643289414.db2.gz CDRDAVHIFPIYDK-MWLCHTKSSA-N 0 0 235.331 2.473 10 0 BEAERN C[C@@H]1CCN[C@H](c2nc(CC3CCC3)no2)C1 ZINC000306079875 643290944 /nfs/dbraw/zinc/29/09/44/643290944.db2.gz CDRDAVHIFPIYDK-KOLCDFICSA-N 0 0 235.331 2.473 10 0 BEAERN C#CCCCCCOC(=O)[C@H]1CC[C@H](C)O1 ZINC000185332817 643296557 /nfs/dbraw/zinc/29/65/57/643296557.db2.gz UOCSPHAPSXKKLL-NWDGAFQWSA-N 0 0 224.300 2.291 10 0 BEAERN Nc1cnn(-c2ccc(O)cc2)c1C1CC1 ZINC000757171096 643353633 /nfs/dbraw/zinc/35/36/33/643353633.db2.gz PUKQCOSXNIUXPA-UHFFFAOYSA-N 0 0 215.256 2.038 10 0 BEAERN CCc1ccc(CSC[C@@H](O)COC)o1 ZINC000757169664 643354344 /nfs/dbraw/zinc/35/43/44/643354344.db2.gz LAZDFLOJRVJBCI-VIFPVBQESA-N 0 0 230.329 2.083 10 0 BEAERN COC(=O)[C@]1(F)C[C@H](C(C)(C)C)CCC1=O ZINC000757183594 643359586 /nfs/dbraw/zinc/35/95/86/643359586.db2.gz PYHLEWJAJZGRTL-PELKAZGASA-N 0 0 230.279 2.283 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2ncccc2F)C1 ZINC000082644885 643360960 /nfs/dbraw/zinc/36/09/60/643360960.db2.gz YTVHUAVBEZTTAY-SNVBAGLBSA-N 0 0 222.263 2.026 10 0 BEAERN COC(=O)/C=C1\CCc2cc(C)ccc21 ZINC000757190684 643362101 /nfs/dbraw/zinc/36/21/01/643362101.db2.gz BUBFDEJEVOBCIG-DHZHZOJOSA-N 0 0 202.253 2.498 10 0 BEAERN Cc1cccc(C)c1[C@H]1C[N@H+](C)C[C@@H]1C(=O)[O-] ZINC000757192399 643363951 /nfs/dbraw/zinc/36/39/51/643363951.db2.gz OFUAAVGNPKKJNG-RYUDHWBXSA-N 0 0 233.311 2.033 10 0 BEAERN CCC[C@H](N)c1nc(CC(C)(C)C)no1 ZINC000082673263 643365418 /nfs/dbraw/zinc/36/54/18/643365418.db2.gz LTEXEKXOOFIEBN-QMMMGPOBSA-N 0 0 211.309 2.458 10 0 BEAERN [NH3+]CC1(c2cccc(C(=O)[O-])c2)CC(F)(F)C1 ZINC000757192586 643365606 /nfs/dbraw/zinc/36/56/06/643365606.db2.gz WTMKRTDEQONYAG-UHFFFAOYSA-N 0 0 241.237 2.010 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)OCC(C)(C)Br ZINC000757211032 643369696 /nfs/dbraw/zinc/36/96/96/643369696.db2.gz NCIGNRWSLFWWOQ-BQBZGAKWSA-N 0 0 235.121 2.359 10 0 BEAERN CCc1nccn1-c1cc(C(C)=O)ccn1 ZINC000087400543 643399861 /nfs/dbraw/zinc/39/98/61/643399861.db2.gz MDKWALXOJOQIQF-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C)cc1O ZINC000234105893 643484531 /nfs/dbraw/zinc/48/45/31/643484531.db2.gz FUJLOMPQQUKFOM-GXFFZTMASA-N 0 0 249.310 2.454 10 0 BEAERN CCCCO[C@H](C)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000247250577 643492147 /nfs/dbraw/zinc/49/21/47/643492147.db2.gz ULBJQJRVCZCDJM-TUAOUCFPSA-N 0 0 244.331 2.160 10 0 BEAERN CCc1c(N)n[nH]c1-c1ccoc1Cl ZINC000234139544 643519182 /nfs/dbraw/zinc/51/91/82/643519182.db2.gz CFMLQDWWHYEAPV-UHFFFAOYSA-N 0 0 211.652 2.468 10 0 BEAERN CC(=O)[C@H]1CCCN(c2ccc(F)cn2)C1 ZINC000082644884 643521439 /nfs/dbraw/zinc/52/14/39/643521439.db2.gz MPAZGQMSOZLHDL-JTQLQIEISA-N 0 0 222.263 2.026 10 0 BEAERN CCN[C@@H](C)c1nc(CC(C)(C)C)no1 ZINC000082675404 643521913 /nfs/dbraw/zinc/52/19/13/643521913.db2.gz LRGSUSORORHDPU-QMMMGPOBSA-N 0 0 211.309 2.329 10 0 BEAERN CCCOc1ccc([C@@H]2CC(=O)N2)cc1 ZINC000082762356 643523065 /nfs/dbraw/zinc/52/30/65/643523065.db2.gz HIBOOIMJMBLAAA-NSHDSACASA-N 0 0 205.257 2.036 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)NCc1cscn1 ZINC000112718618 643531396 /nfs/dbraw/zinc/53/13/96/643531396.db2.gz JCIBKOBPGAUMGH-QMMMGPOBSA-N 0 0 239.344 2.131 10 0 BEAERN Cc1ncc(COC(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000177707020 643557780 /nfs/dbraw/zinc/55/77/80/643557780.db2.gz UHRFELXPEHMAHA-XVKPBYJWSA-N 0 0 241.312 2.062 10 0 BEAERN CCc1sc(C(=O)N[C@H](C)[C@H](C)O)cc1C ZINC000346466624 643570026 /nfs/dbraw/zinc/57/00/26/643570026.db2.gz JCAGLXZGSJTMIW-BDAKNGLRSA-N 0 0 241.356 2.118 10 0 BEAERN CC(C)N=c1ccccn1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000255188091 643581519 /nfs/dbraw/zinc/58/15/19/643581519.db2.gz BWMUAHQCPLDIFC-VXGBXAGGSA-N 0 0 248.326 2.005 10 0 BEAERN CC(C)N=c1ccccn1C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000255188087 643583376 /nfs/dbraw/zinc/58/33/76/643583376.db2.gz BWMUAHQCPLDIFC-NEPJUHHUSA-N 0 0 248.326 2.005 10 0 BEAERN Cc1cc(C(=O)NN=Cc2ccncc2)c(C)o1 ZINC000013111443 643584731 /nfs/dbraw/zinc/58/47/31/643584731.db2.gz QAADXJJYJXLDIY-UHFFFAOYSA-N 0 0 243.266 2.055 10 0 BEAERN CCc1nc(COc2cccc([C@@H](C)O)c2)no1 ZINC000049335308 643617496 /nfs/dbraw/zinc/61/74/96/643617496.db2.gz DRSWYRNBRAMJMQ-SECBINFHSA-N 0 0 248.282 2.264 10 0 BEAERN Cc1ccc(Cl)c(N[C@@H](C)[C@H](C)O)n1 ZINC000307744155 643624254 /nfs/dbraw/zinc/62/42/54/643624254.db2.gz OCFLGWIDYSMONJ-YUMQZZPRSA-N 0 0 214.696 2.225 10 0 BEAERN CN[C@H](C)c1nc(Cc2ccc(C)cc2)no1 ZINC000054053365 643666414 /nfs/dbraw/zinc/66/64/14/643666414.db2.gz YAEIEEDCNYMMBQ-SNVBAGLBSA-N 0 0 231.299 2.249 10 0 BEAERN CC(C)c1ccn(-c2ccc(C=O)cn2)n1 ZINC000087718051 643669174 /nfs/dbraw/zinc/66/91/74/643669174.db2.gz HWRMFXYEBDAKSO-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN C[C@H](O)c1cccc(OCCC(C)(C)O)c1 ZINC000086236688 643965843 /nfs/dbraw/zinc/96/58/43/643965843.db2.gz FKZQZYZEZUGUFC-JTQLQIEISA-N 0 0 224.300 2.280 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCC1(CC#N)CC1 ZINC000192239380 644139161 /nfs/dbraw/zinc/13/91/61/644139161.db2.gz GBPYCOTVXFAVGT-MNOVXSKESA-N 0 0 237.299 2.039 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OC1(C2CC2)CC1 ZINC000192240503 644138781 /nfs/dbraw/zinc/13/87/81/644138781.db2.gz NJBJNWYWMGNBOH-MWLCHTKSSA-N 0 0 224.300 2.287 10 0 BEAERN CC[C@H](C)CC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000192243977 644140304 /nfs/dbraw/zinc/14/03/04/644140304.db2.gz PXEYAZWQHHTPGT-HBNTYKKESA-N 0 0 214.305 2.391 10 0 BEAERN Nc1cnc(OC2CCC2)c(Br)c1 ZINC000086481827 644141389 /nfs/dbraw/zinc/14/13/89/644141389.db2.gz BAQGJKFSFFWANZ-UHFFFAOYSA-N 0 0 243.104 2.358 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192302475 644144234 /nfs/dbraw/zinc/14/42/34/644144234.db2.gz ZHHLHGPZNZTVSD-MXWKQRLJSA-N 0 0 225.288 2.037 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H](c2ccsc2)[NH2+]1 ZINC000074148774 644271211 /nfs/dbraw/zinc/27/12/11/644271211.db2.gz JTRDXEBZXWJYCG-IUCAKERBSA-N 0 0 211.286 2.016 10 0 BEAERN O=C([O-])[C@H]1CCC[C@H](c2ccsc2)[NH2+]1 ZINC000074148771 644272250 /nfs/dbraw/zinc/27/22/50/644272250.db2.gz JTRDXEBZXWJYCG-RKDXNWHRSA-N 0 0 211.286 2.016 10 0 BEAERN CC[C@H](C)C[C@@H](C)NC(=O)n1ccnc1 ZINC000083865581 644411649 /nfs/dbraw/zinc/41/16/49/644411649.db2.gz RJGCRERQOGWXJV-VHSXEESVSA-N 0 0 209.293 2.266 10 0 BEAERN CCCCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000084225162 644420805 /nfs/dbraw/zinc/42/08/05/644420805.db2.gz CHOOBKZFRCGIFM-VXGBXAGGSA-N 0 0 227.348 2.234 10 0 BEAERN COC(=O)c1ccc(-c2ccc(C=O)o2)o1 ZINC000197940790 644440552 /nfs/dbraw/zinc/44/05/52/644440552.db2.gz BAUMLDUMZPZPHM-UHFFFAOYSA-N 0 0 220.180 2.139 10 0 BEAERN CCc1c(N)n(C)nc1C1(C)CCCC1 ZINC000087316919 644489538 /nfs/dbraw/zinc/48/95/38/644489538.db2.gz BIBMFSIMUYOIFB-UHFFFAOYSA-N 0 0 207.321 2.396 10 0 BEAERN Cc1cnn(-c2nc(Cl)c(C=O)s2)c1 ZINC000087768003 644500969 /nfs/dbraw/zinc/50/09/69/644500969.db2.gz RKZMMQIYQXQLNU-UHFFFAOYSA-N 0 0 227.676 2.103 10 0 BEAERN Cn1nc(-c2cccc(Cl)c2F)cc1N ZINC000088121937 644509379 /nfs/dbraw/zinc/50/93/79/644509379.db2.gz CLVCPRQFLDPXTP-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN CCc1cc(N2CCC[C@H](C(C)=O)C2)nc(C)n1 ZINC000088760031 644528092 /nfs/dbraw/zinc/52/80/92/644528092.db2.gz FNLLGBXTKMFGJN-LBPRGKRZSA-N 0 0 247.342 2.153 10 0 BEAERN CC(=O)c1ccc(OC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000121359727 644557438 /nfs/dbraw/zinc/55/74/38/644557438.db2.gz GQFAAETYKKJTPN-TVQRCGJNSA-N 0 0 248.278 2.362 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC[C@@H]2CC=CCC2)O1 ZINC000246253027 644576459 /nfs/dbraw/zinc/57/64/59/644576459.db2.gz ABCQUXLEXACJCP-IJLUTSLNSA-N 0 0 224.300 2.453 10 0 BEAERN CC[C@H](C)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000246440136 644588120 /nfs/dbraw/zinc/58/81/20/644588120.db2.gz DMHDZQXHFUVEME-GUBZILKMSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CC=CCC1)[C@@H]1CCOC1 ZINC000246473964 644589260 /nfs/dbraw/zinc/58/92/60/644589260.db2.gz GZBGEGUJBRLBIA-QJPTWQEYSA-N 0 0 224.300 2.311 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000248282050 644671975 /nfs/dbraw/zinc/67/19/75/644671975.db2.gz VRLUIHOGFSVJLM-USZNOCQGSA-N 0 0 242.315 2.055 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC[C@@H](C)O2)C1 ZINC000248282058 644673530 /nfs/dbraw/zinc/67/35/30/644673530.db2.gz VRLUIHOGFSVJLM-WYUUTHIRSA-N 0 0 242.315 2.055 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)O[C@H]2CCc3cccnc32)O1 ZINC000248900990 644704558 /nfs/dbraw/zinc/70/45/58/644704558.db2.gz NEUMZHUTMSLCJU-USWWRNFRSA-N 0 0 247.294 2.180 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)C(C)C ZINC000103708352 644859730 /nfs/dbraw/zinc/85/97/30/644859730.db2.gz FKQNDSSRSYAGLK-UHFFFAOYSA-N 0 0 236.267 2.343 10 0 BEAERN CCCOC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000304538493 644915029 /nfs/dbraw/zinc/91/50/29/644915029.db2.gz IEYYOABHPOXDOC-WDEREUQCSA-N 0 0 227.304 2.176 10 0 BEAERN N[C@@H](CC1CC1)c1nc(CC2CCC2)no1 ZINC000304574325 644918526 /nfs/dbraw/zinc/91/85/26/644918526.db2.gz IMJCBXUGTLDLQH-JTQLQIEISA-N 0 0 221.304 2.212 10 0 BEAERN O=C(/C=C\c1ccccc1)N[C@@H]1CCC[C@H](O)C1 ZINC000097607620 644936968 /nfs/dbraw/zinc/93/69/68/644936968.db2.gz RUHIUAIOEDUVCW-ISQLRJPISA-N 0 0 245.322 2.120 10 0 BEAERN COC(=O)/C=C(/C)c1ccc2c(c1)OCCO2 ZINC000133880557 645868124 /nfs/dbraw/zinc/86/81/24/645868124.db2.gz BFKQKFDJIGYKPO-CLFYSBASSA-N 0 0 234.251 2.034 10 0 BEAERN Cc1c[nH]nc1NC(=O)C1CCC(F)(F)CC1 ZINC000135521909 645878742 /nfs/dbraw/zinc/87/87/42/645878742.db2.gz FKSYUBMNYTUBKJ-UHFFFAOYSA-N 0 0 243.257 2.482 10 0 BEAERN C[C@@H](Nc1ccc2ccccc2n1)[C@H](C)O ZINC000223729012 645902267 /nfs/dbraw/zinc/90/22/67/645902267.db2.gz KBMKBUVDDDUWIF-ZJUUUORDSA-N 0 0 216.284 2.416 10 0 BEAERN CC[C@H](NC(=S)NC(C)C)C(C)C ZINC000136201855 711690326 /nfs/dbraw/zinc/69/03/26/711690326.db2.gz VGEGKOGOZZSJML-VIFPVBQESA-N 0 0 202.367 2.294 10 0 BEAERN CCCNC(=S)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000136227420 711691445 /nfs/dbraw/zinc/69/14/45/711691445.db2.gz QZHHTKQHJVYTKC-VXGBXAGGSA-N 0 0 234.368 2.417 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000722319387 711734979 /nfs/dbraw/zinc/73/49/79/711734979.db2.gz FDFLJTSJKJMTCT-WDEREUQCSA-N 0 0 227.304 2.079 10 0 BEAERN CC[C@@H](NC(=O)/C=C\SC)C(C)C ZINC000379409283 712383373 /nfs/dbraw/zinc/38/33/73/712383373.db2.gz CPLMTTLLVJTWJX-ATJFRQLMSA-N 0 0 201.335 2.414 10 0 BEAERN Cc1cc(CN[C@H](C)c2cn(C)nn2)cs1 ZINC000715876063 712538757 /nfs/dbraw/zinc/53/87/57/712538757.db2.gz HIWFNIQJECGLNI-SECBINFHSA-N 0 0 236.344 2.036 10 0 BEAERN Cc1c(N)cncc1-c1cn(C)nc1C(C)C ZINC000722717873 710720147 /nfs/dbraw/zinc/72/01/47/710720147.db2.gz LTOBUWDOCNZZLA-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN C[C@H]1C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724357739 710739887 /nfs/dbraw/zinc/73/98/87/710739887.db2.gz LLXQGFWJFJZWOJ-DTWKUNHWSA-N 0 0 208.305 2.470 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@H](N)CC(F)F)n1 ZINC000380584016 712901597 /nfs/dbraw/zinc/90/15/97/712901597.db2.gz QOTHROXVPOIPDS-PHDIDXHHSA-N 0 0 231.246 2.238 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000722043528 712902368 /nfs/dbraw/zinc/90/23/68/712902368.db2.gz GQVAASFQTSVNOA-OLZOCXBDSA-N 0 0 235.327 2.170 10 0 BEAERN Cc1cnnc(NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000724469862 710741328 /nfs/dbraw/zinc/74/13/28/710741328.db2.gz AWQFHMAPDAMGAL-GHMZBOCLSA-N 0 0 235.331 2.401 10 0 BEAERN C[C@@H]1C[C@@H](CNc2nccnc2F)C[C@H](C)O1 ZINC000724457110 711581382 /nfs/dbraw/zinc/58/13/82/711581382.db2.gz OZSOAJCIMHWQCD-ILWJIGKKSA-N 0 0 239.294 2.231 10 0 BEAERN C[C@H]1CC(CNc2nccnc2F)C[C@H](C)O1 ZINC000724476860 711582544 /nfs/dbraw/zinc/58/25/44/711582544.db2.gz OZSOAJCIMHWQCD-IUCAKERBSA-N 0 0 239.294 2.231 10 0 BEAERN COC(C)(C)CCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192108348 711708278 /nfs/dbraw/zinc/70/82/78/711708278.db2.gz WJJYGTYMRRLMRJ-MNOVXSKESA-N 0 0 244.331 2.160 10 0 BEAERN CCNc1ccc(C)cc1C(=O)NCC(F)F ZINC000136642881 711730002 /nfs/dbraw/zinc/73/00/02/711730002.db2.gz ZYYDYQIDRZQVFA-UHFFFAOYSA-N 0 0 242.269 2.422 10 0 BEAERN CN(c1ncc(C=O)cn1)C1CCCCC1 ZINC000126373864 711761811 /nfs/dbraw/zinc/76/18/11/711761811.db2.gz UKTMJYFHQHQTIU-UHFFFAOYSA-N 0 0 219.288 2.058 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000721774955 711769034 /nfs/dbraw/zinc/76/90/34/711769034.db2.gz BEBMSVQLYHNFFC-WOPDTQHZSA-N 0 0 239.359 2.042 10 0 BEAERN Cc1cccc(OC(=O)C2CCOCC2)c1 ZINC000060664022 711834843 /nfs/dbraw/zinc/83/48/43/711834843.db2.gz XACGUPJUIIPKKF-UHFFFAOYSA-N 0 0 220.268 2.327 10 0 BEAERN Cc1noc(CN[C@H]2CCc3c2cccc3F)n1 ZINC000211141761 711850235 /nfs/dbraw/zinc/85/02/35/711850235.db2.gz NFDCCIXKHWIULU-LBPRGKRZSA-N 0 0 247.273 2.294 10 0 BEAERN CCC[C@H]([NH3+])c1cc(F)c([O-])c(F)c1 ZINC000238244710 711888543 /nfs/dbraw/zinc/88/85/43/711888543.db2.gz ZBQHZQXMSGEMGU-VIFPVBQESA-N 0 0 201.216 2.470 10 0 BEAERN CN(Cc1cccnc1)C(=O)N1CCCCC1 ZINC000131418259 711919059 /nfs/dbraw/zinc/91/90/59/711919059.db2.gz XQYHYOITRDFQCX-UHFFFAOYSA-N 0 0 233.315 2.119 10 0 BEAERN CC(C)OC(=O)NCC[C@@H]1CC1(F)F ZINC000701950265 712033299 /nfs/dbraw/zinc/03/32/99/712033299.db2.gz LUJPAOQDQFQGLR-SSDOTTSWSA-N 0 0 207.220 2.166 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)/C=C\c1ccccc1 ZINC000705116319 712122374 /nfs/dbraw/zinc/12/23/74/712122374.db2.gz ZTDWAXXWVLWMNY-GGJXWIKRSA-N 0 0 245.322 2.072 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)Nc1cc(C)cc(O)c1 ZINC000705574020 712133654 /nfs/dbraw/zinc/13/36/54/712133654.db2.gz PSPSRFITEYOXMJ-QWHCGFSZSA-N 0 0 249.310 2.454 10 0 BEAERN CC(=O)c1cccc(-c2cn3c(n2)COCC3)c1 ZINC000706298947 712144572 /nfs/dbraw/zinc/14/45/72/712144572.db2.gz LGQWGORBTASNGD-UHFFFAOYSA-N 0 0 242.278 2.283 10 0 BEAERN O=C(c1cccc(Cl)n1)N1C[C@@H]2CCC[C@H]21 ZINC000706886254 712158931 /nfs/dbraw/zinc/15/89/31/712158931.db2.gz WUDSWGKEQGUTIT-WCBMZHEXSA-N 0 0 236.702 2.360 10 0 BEAERN O=C(c1ccnc(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000706886991 712159059 /nfs/dbraw/zinc/15/90/59/712159059.db2.gz YQACUKUGCKHZRO-UWVGGRQHSA-N 0 0 236.702 2.360 10 0 BEAERN CC[C@@H](C)[C@H](NC1CC(SC)C1)C(=O)OC ZINC000706944700 712162702 /nfs/dbraw/zinc/16/27/02/712162702.db2.gz GPNWUMVIMAXSLP-SFXRXQKFSA-N 0 0 245.388 2.058 10 0 BEAERN CC/C=C(\C)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707724881 712177136 /nfs/dbraw/zinc/17/71/36/712177136.db2.gz LKOFCODDBOSPFV-GCZGVDRJSA-N 0 0 223.316 2.170 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000707777532 712178251 /nfs/dbraw/zinc/17/82/51/712178251.db2.gz YNOCVJNCQJFLJM-LLVKDONJSA-N 0 0 223.316 2.004 10 0 BEAERN CCC1(C(=O)N2CCC[C@@H](C(C)=O)C2)CC1 ZINC000707807137 712179233 /nfs/dbraw/zinc/17/92/33/712179233.db2.gz MHGDELIPTJUIHW-LLVKDONJSA-N 0 0 223.316 2.004 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707804871 712179363 /nfs/dbraw/zinc/17/93/63/712179363.db2.gz GGIWXYFBHSWCOG-ZYHUDNBSSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000707845613 712179575 /nfs/dbraw/zinc/17/95/75/712179575.db2.gz IMPLFEGLMKAEDC-CYBMUJFWSA-N 0 0 245.322 2.436 10 0 BEAERN CCCC1(C(=O)N2CCC[C@H](C(C)=O)C2)CC1 ZINC000707842151 712179614 /nfs/dbraw/zinc/17/96/14/712179614.db2.gz WJCLLKWDXNBBBE-LBPRGKRZSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000707844249 712179646 /nfs/dbraw/zinc/17/96/46/712179646.db2.gz FIZIBBLHTNLRIR-AWEZNQCLSA-N 0 0 245.322 2.436 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000707833244 712179990 /nfs/dbraw/zinc/17/99/90/712179990.db2.gz HRPGYQXVNKWHEQ-LBPRGKRZSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000707862100 712180541 /nfs/dbraw/zinc/18/05/41/712180541.db2.gz SKZJOXRWHJECKI-ZHRWSRJISA-N 0 0 247.294 2.120 10 0 BEAERN CCc1occc1C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707856421 712180678 /nfs/dbraw/zinc/18/06/78/712180678.db2.gz GEKVXKLXCIWMNY-LLVKDONJSA-N 0 0 249.310 2.283 10 0 BEAERN CSC1CC(Nc2ccnc3cccnc32)C1 ZINC000708323966 712187031 /nfs/dbraw/zinc/18/70/31/712187031.db2.gz LCONSCHFPJIJIG-UHFFFAOYSA-N 0 0 245.351 2.358 10 0 BEAERN C[C@@H](CSC[C@@H](O)CO)CC(C)(C)C ZINC000709152340 712210580 /nfs/dbraw/zinc/21/05/80/712210580.db2.gz OOORNCNPPGOWGM-ZJUUUORDSA-N 0 0 220.378 2.145 10 0 BEAERN Cc1cc(-c2scc3c2OCCO3)ncc1N ZINC000709420346 712221428 /nfs/dbraw/zinc/22/14/28/712221428.db2.gz YXTMCTYBGXMKOL-UHFFFAOYSA-N 0 0 248.307 2.472 10 0 BEAERN C[C@H]1COC[C@@H]1Nc1cccc(-n2cccn2)c1 ZINC000710837472 712258046 /nfs/dbraw/zinc/25/80/46/712258046.db2.gz GPRLKLMNILJBJV-FZMZJTMJSA-N 0 0 243.310 2.319 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000710582286 712263407 /nfs/dbraw/zinc/26/34/07/712263407.db2.gz ZWQGUHIZUKLZQN-MRVPVSSYSA-N 0 0 226.301 2.437 10 0 BEAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000712588110 712434739 /nfs/dbraw/zinc/43/47/39/712434739.db2.gz SJVHXBUUZSBXMH-NQBHXWOUSA-N 0 0 239.359 2.042 10 0 BEAERN COC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000036421025 712450302 /nfs/dbraw/zinc/45/03/02/712450302.db2.gz XEBKNSFJJKGSSC-FPLPWBNLSA-N 0 0 221.212 2.171 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000717115840 712632794 /nfs/dbraw/zinc/63/27/94/712632794.db2.gz WVBAOLZUVFRXKP-YTWAJWBKSA-N 0 0 211.305 2.413 10 0 BEAERN COC(CN[C@@H](C)c1cc(F)ccc1F)OC ZINC000037566574 712665885 /nfs/dbraw/zinc/66/58/85/712665885.db2.gz KWDFDIJLMAMSOV-QMMMGPOBSA-N 0 0 245.269 2.234 10 0 BEAERN Cc1cn2cc(NC(=O)C(F)(F)F)ccc2n1 ZINC000041305986 712719548 /nfs/dbraw/zinc/71/95/48/712719548.db2.gz YMCWXFBLELBFNN-UHFFFAOYSA-N 0 0 243.188 2.144 10 0 BEAERN Clc1nccn2ncc(Br)c12 ZINC000950757460 712726355 /nfs/dbraw/zinc/72/63/55/712726355.db2.gz GYPMFYDHSLJIMS-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CCc1ncc(CNCc2ccccn2)s1 ZINC000037923789 712787037 /nfs/dbraw/zinc/78/70/37/712787037.db2.gz MNMITYNZHIAEDA-UHFFFAOYSA-N 0 0 233.340 2.390 10 0 BEAERN O=C(NC1CC(CO)C1)[C@@H]1CCC=CCCC1 ZINC000719051955 712795030 /nfs/dbraw/zinc/79/50/30/712795030.db2.gz SMAHIWKGRFPDMW-OTTFEQOBSA-N 0 0 237.343 2.010 10 0 BEAERN C[C@H](Nc1nc(Cl)cs1)c1cn(C)nn1 ZINC000720583943 712854779 /nfs/dbraw/zinc/85/47/79/712854779.db2.gz NMEJDCGTLDHHNL-YFKPBYRVSA-N 0 0 243.723 2.098 10 0 BEAERN Cc1cc(F)ccc1CN[C@@H](C)c1cn(C)nn1 ZINC000720602311 712857544 /nfs/dbraw/zinc/85/75/44/712857544.db2.gz LDABCCDCBQHJMW-JTQLQIEISA-N 0 0 248.305 2.113 10 0 BEAERN C/C=C(/CC)C(=O)OC[C@@]1(C)CCCO1 ZINC000588570194 959257483 /nfs/dbraw/zinc/25/74/83/959257483.db2.gz YWGIQDWJVAJFDV-GFSSTFBJSA-N 0 0 212.289 2.455 10 0 BEAERN CNc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)nc1 ZINC000129461589 1166192212 /nfs/dbraw/zinc/19/22/12/1166192212.db2.gz WNNWYLJORORHJC-JTQLQIEISA-N 0 0 247.342 2.432 10 0 BEAERN O=C([O-])[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000695100068 976777327 /nfs/dbraw/zinc/77/73/27/976777327.db2.gz BMYTZXVNLLGUEC-DTWKUNHWSA-N 0 0 233.258 2.017 10 0 BEAERN CC(C)(C)OCCC[NH2+][C@H](C(=O)[O-])C(C)(C)C ZINC000695286835 976790039 /nfs/dbraw/zinc/79/00/39/976790039.db2.gz NFKDURIZPMRPME-SNVBAGLBSA-N 0 0 245.363 2.281 10 0 BEAERN CC[C@@](C)([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337842 977667505 /nfs/dbraw/zinc/66/75/05/977667505.db2.gz LSUGFISRMWKFQN-ZWNOBZJWSA-N 0 0 243.347 2.177 10 0 BEAERN O=C([O-])[C@@H]1[C@H](C[NH2+]CCC2CCCC2)C1(F)F ZINC000715251055 977707304 /nfs/dbraw/zinc/70/73/04/977707304.db2.gz YSUBLNFZGKJUOL-UWVGGRQHSA-N 0 0 247.285 2.122 10 0 BEAERN C/C=C/C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000106072698 971571536 /nfs/dbraw/zinc/57/15/36/971571536.db2.gz VOCYWHHEFWDCFC-NWALNABHSA-N 0 0 233.267 2.169 10 0 BEAERN Cc1ccc(C[N@H+](C)CCC(=O)[O-])c(F)c1 ZINC000686308904 954609685 /nfs/dbraw/zinc/60/96/85/954609685.db2.gz OOJWFRBPXHOZLE-UHFFFAOYSA-N 0 0 225.263 2.041 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)CC1CC2(CCC2)C1 ZINC000691881166 954689593 /nfs/dbraw/zinc/68/95/93/954689593.db2.gz SCDCSANTVJGNFT-LLVKDONJSA-N 0 0 225.332 2.362 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000694538237 954777760 /nfs/dbraw/zinc/77/77/60/954777760.db2.gz IQNOFAGJCXIVIQ-MNOVXSKESA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)c1nc(C[NH2+]C[C@@H](C)C(=O)[O-])cs1 ZINC000707859241 954976326 /nfs/dbraw/zinc/97/63/26/954976326.db2.gz RBAMBMWAELYSOI-MRVPVSSYSA-N 0 0 242.344 2.077 10 0 BEAERN O=C([O-])CCCC[N@@H+]1CCC12CCCC2 ZINC000708298569 954995354 /nfs/dbraw/zinc/99/53/54/954995354.db2.gz RGSNYVDAYNRBNB-UHFFFAOYSA-N 0 0 211.305 2.260 10 0 BEAERN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708533928 955000455 /nfs/dbraw/zinc/00/04/55/955000455.db2.gz YTORCKJTTQYYJZ-UWVGGRQHSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1CC[N@H+](CC2=CCCC2)C[C@H]1C(=O)[O-] ZINC000710495475 955026123 /nfs/dbraw/zinc/02/61/23/955026123.db2.gz NQSZMSHSEZBQHX-ZYHUDNBSSA-N 0 0 223.316 2.139 10 0 BEAERN Cc1coc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000718088123 955154603 /nfs/dbraw/zinc/15/46/03/955154603.db2.gz WWUVTJJMUZNZJJ-WDEREUQCSA-N 0 0 237.299 2.273 10 0 BEAERN Cc1coc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000718087921 955154747 /nfs/dbraw/zinc/15/47/47/955154747.db2.gz WWUVTJJMUZNZJJ-MNOVXSKESA-N 0 0 237.299 2.273 10 0 BEAERN CC(F)(F)CCC[NH+]1CCC(C(=O)[O-])CC1 ZINC000718611882 955160185 /nfs/dbraw/zinc/16/01/85/955160185.db2.gz BXPHHWMBRSZJTF-UHFFFAOYSA-N 0 0 235.274 2.218 10 0 BEAERN O=C([O-])CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000723748127 955202271 /nfs/dbraw/zinc/20/22/71/955202271.db2.gz AXUBIDGJTFVWJK-GFCCVEGCSA-N 0 0 211.305 2.020 10 0 BEAERN CSCc1ccc(C[N@H+](C)CC(=O)[O-])cc1 ZINC000725107864 955214654 /nfs/dbraw/zinc/21/46/54/955214654.db2.gz QELORTVKRYTEEX-UHFFFAOYSA-N 0 0 239.340 2.066 10 0 BEAERN C/C(=C/C(=O)OC[C@H]1COC(C)(C)O1)C1CC1 ZINC000588387965 958157575 /nfs/dbraw/zinc/15/75/75/958157575.db2.gz KMNCPUQRQBXLEK-WDDYJBPVSA-N 0 0 240.299 2.037 10 0 BEAERN Cc1cc(C)cc(-n2ncc(CNC3CC3)n2)c1 ZINC000051174850 958409684 /nfs/dbraw/zinc/40/96/84/958409684.db2.gz VCFILPJGEJDTKL-UHFFFAOYSA-N 0 0 242.326 2.136 10 0 BEAERN COC(=O)[C@@H](OC(=O)/C=C\C(C)(C)C)C1CC1 ZINC000588457863 958605596 /nfs/dbraw/zinc/60/55/96/958605596.db2.gz RDJPUYWLMSAJHK-TVRMLOFPSA-N 0 0 240.299 2.084 10 0 BEAERN C/C=C\COC(=O)c1ccnc(-n2ccnc2)c1 ZINC000588468269 958696829 /nfs/dbraw/zinc/69/68/29/958696829.db2.gz RQQFVCPQVKSXLZ-IHWYPQMZSA-N 0 0 243.266 2.000 10 0 BEAERN C[C@@H]1OCC[C@@H]1OC(=O)/C=C\c1cccs1 ZINC000588492801 958823694 /nfs/dbraw/zinc/82/36/94/958823694.db2.gz FSKFIDTXJSXVHZ-WOMWGJRJSA-N 0 0 238.308 2.482 10 0 BEAERN C/C(=C/C(=O)O[C@@H]1CCO[C@@H]1C)C1CC1 ZINC000588492967 958824609 /nfs/dbraw/zinc/82/46/09/958824609.db2.gz LXAVCNDDHPEZQJ-WKKBONJVSA-N 0 0 210.273 2.063 10 0 BEAERN CC1(C)CC[C@@H](CNC(=O)/C=C\c2ccco2)O1 ZINC000588525919 958936795 /nfs/dbraw/zinc/93/67/95/958936795.db2.gz CBQFSSXEUSLTGH-FJOGCWAESA-N 0 0 249.310 2.367 10 0 BEAERN C/C=C(\CC)C(=O)OC[C@@H](C)COC ZINC000588570244 959258775 /nfs/dbraw/zinc/25/87/75/959258775.db2.gz PREDLVMWRRRZHR-UMYFRRCYSA-N 0 0 200.278 2.168 10 0 BEAERN CCOC[C@@H](C)OC(=O)/C=C\c1ncccc1C ZINC000588587085 959412153 /nfs/dbraw/zinc/41/21/53/959412153.db2.gz FOLSCVPRWQVMPG-QDZRJHCZSA-N 0 0 249.310 2.371 10 0 BEAERN C[C@H](NC(=O)c1cc(F)ccc1N)C1CCC1 ZINC000137617039 964012437 /nfs/dbraw/zinc/01/24/37/964012437.db2.gz CXEKDCDTXRJGGR-QMMMGPOBSA-N 0 0 236.290 2.326 10 0 BEAERN CC[C@@H]([NH2+]C[C@H](OC)C1CCCCC1)C(=O)[O-] ZINC000695107462 968956279 /nfs/dbraw/zinc/95/62/79/968956279.db2.gz PPPYXICPFJINPJ-NEPJUHHUSA-N 0 0 243.347 2.035 10 0 BEAERN C[N@H+](CCCC(=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC000714338727 969076519 /nfs/dbraw/zinc/07/65/19/969076519.db2.gz LKTCCNBDTMWDNA-LLVKDONJSA-N 0 0 243.347 2.131 10 0 BEAERN Cc1coc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000718084717 969098815 /nfs/dbraw/zinc/09/88/15/969098815.db2.gz BFUMEBKMMCXVLS-ZYHUDNBSSA-N 0 0 237.299 2.131 10 0 BEAERN CC[N@H+](CC(=O)[O-])Cc1ccc(C)cc1F ZINC000686308579 976104558 /nfs/dbraw/zinc/10/45/58/976104558.db2.gz FLXMVLPRYBVGDT-UHFFFAOYSA-N 0 0 225.263 2.041 10 0 BEAERN Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c(F)c1 ZINC000686308951 976104810 /nfs/dbraw/zinc/10/48/10/976104810.db2.gz RTFZDZLUEVRNSC-SECBINFHSA-N 0 0 225.263 2.039 10 0 BEAERN Cc1ccc(C[N@@H+](C)C(C)(C)C(=O)[O-])c(F)c1 ZINC000686312146 976104876 /nfs/dbraw/zinc/10/48/76/976104876.db2.gz PJWWUQYAMKOLQN-UHFFFAOYSA-N 0 0 239.290 2.429 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)C(=O)[O-] ZINC000686347417 976106130 /nfs/dbraw/zinc/10/61/30/976106130.db2.gz BDTXUPXAODNBAM-RHYQMDGZSA-N 0 0 243.347 2.033 10 0 BEAERN O=C([O-])c1ccc(CN2CCC[C@H](F)C2)s1 ZINC000689413011 976252324 /nfs/dbraw/zinc/25/23/24/976252324.db2.gz AGIUFGBNEIJZDU-QMMMGPOBSA-N 0 0 243.303 2.380 10 0 BEAERN CCC[C@H]1CCC[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000691547571 976365052 /nfs/dbraw/zinc/36/50/52/976365052.db2.gz LQZMTPYECFBFIH-JTQLQIEISA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635891 976378885 /nfs/dbraw/zinc/37/88/85/976378885.db2.gz ZAIFSSWUIGRLDE-GHMZBOCLSA-N 0 0 225.332 2.362 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)C(=O)[O-] ZINC000693070190 976587262 /nfs/dbraw/zinc/58/72/62/976587262.db2.gz GCFHLBLJTXWPBQ-WDEREUQCSA-N 0 0 243.347 2.035 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)C(=O)[O-] ZINC000693070189 976587280 /nfs/dbraw/zinc/58/72/80/976587280.db2.gz GCFHLBLJTXWPBQ-QWRGUYRKSA-N 0 0 243.347 2.035 10 0 BEAERN CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)[O-] ZINC000693346221 976596422 /nfs/dbraw/zinc/59/64/22/976596422.db2.gz LKQPSNOHPBXCQV-SECBINFHSA-N 0 0 235.274 2.265 10 0 BEAERN CCCC[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(=O)[O-] ZINC000693377242 976609400 /nfs/dbraw/zinc/60/94/00/976609400.db2.gz MJHXBUVFPRSCGR-UTINFBMNSA-N 0 0 247.285 2.263 10 0 BEAERN CCCC[C@@H]([NH2+]CC1SCCS1)C(=O)[O-] ZINC000693397058 976618585 /nfs/dbraw/zinc/61/85/85/976618585.db2.gz WVJSYYJHQRSRRP-MRVPVSSYSA-N 0 0 249.401 2.026 10 0 BEAERN C[N@H+](C[C@@H]1CCC(C)(C)O1)C(C)(C)CC(=O)[O-] ZINC000694075742 976666496 /nfs/dbraw/zinc/66/64/96/976666496.db2.gz TXQQWSGGHLNMRM-JTQLQIEISA-N 0 0 243.347 2.129 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CCc1ccc(F)cc1 ZINC000694074633 976666725 /nfs/dbraw/zinc/66/67/25/976666725.db2.gz LAECXDPTSIKOQQ-UHFFFAOYSA-N 0 0 239.290 2.211 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CCSC[C@@H](C)C1 ZINC000695164969 976785526 /nfs/dbraw/zinc/78/55/26/976785526.db2.gz FDLFPBKZMDEWNA-WDEREUQCSA-N 0 0 245.388 2.171 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCS[C@@H](C)CC1 ZINC000695166615 976786689 /nfs/dbraw/zinc/78/66/89/976786689.db2.gz MSWBWSWTNULZCZ-QWRGUYRKSA-N 0 0 245.388 2.313 10 0 BEAERN CC(C)C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)[O-] ZINC000697337397 976840658 /nfs/dbraw/zinc/84/06/58/976840658.db2.gz VWVVNLQZPBVLBE-SNVBAGLBSA-N 0 0 211.305 2.018 10 0 BEAERN O=C([O-])c1cccc(C[NH2+]C2(C3CCC3)CC2)n1 ZINC000697412980 976842218 /nfs/dbraw/zinc/84/22/18/976842218.db2.gz KYCRDCCLJHSMCX-UHFFFAOYSA-N 0 0 246.310 2.202 10 0 BEAERN CCCC[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)[O-] ZINC000697434469 976843743 /nfs/dbraw/zinc/84/37/43/976843743.db2.gz YPFFLCOLURDUTG-SNVBAGLBSA-N 0 0 211.305 2.162 10 0 BEAERN CC(C)(CSCCC[NH+]1CCCC1)C(=O)[O-] ZINC000700332000 976948166 /nfs/dbraw/zinc/94/81/66/976948166.db2.gz LSBPWDAEKBAKQZ-UHFFFAOYSA-N 0 0 245.388 2.316 10 0 BEAERN CC(C)(C)[C@@H]([NH2+]CC1=CCCC1)C(=O)[O-] ZINC000702395970 977081362 /nfs/dbraw/zinc/08/13/62/977081362.db2.gz ORMSFLDHXXEJGO-JTQLQIEISA-N 0 0 211.305 2.186 10 0 BEAERN C[C@@H](F)CC[NH2+]Cc1cc(C(=O)[O-])cs1 ZINC000702647067 977098199 /nfs/dbraw/zinc/09/81/99/977098199.db2.gz BXVGDLIZFJJZFA-SSDOTTSWSA-N 0 0 231.292 2.284 10 0 BEAERN COC1CCC([NH2+]CCCCCC(=O)[O-])CC1 ZINC000703844102 977207746 /nfs/dbraw/zinc/20/77/46/977207746.db2.gz NSIYDOBHJOFMTI-UHFFFAOYSA-N 0 0 243.347 2.179 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000704859334 977265313 /nfs/dbraw/zinc/26/53/13/977265313.db2.gz GVIKXRUUPPURFV-WYUUTHIRSA-N 0 0 225.332 2.408 10 0 BEAERN C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])C1(C)CC1 ZINC000706509106 977346764 /nfs/dbraw/zinc/34/67/64/977346764.db2.gz XDWTWFASNPQIDP-VIFPVBQESA-N 0 0 213.321 2.266 10 0 BEAERN C[C@H]([NH2+]Cc1cccc(C(=O)[O-])n1)C1(C)CC1 ZINC000706600118 977356156 /nfs/dbraw/zinc/35/61/56/977356156.db2.gz WMMLINBXKDICRX-VIFPVBQESA-N 0 0 234.299 2.058 10 0 BEAERN CC[N@H+](CC1(C(=O)[O-])CC1)[C@H](C)C(C)C ZINC000706688085 977358530 /nfs/dbraw/zinc/35/85/30/977358530.db2.gz NGZOJOSOAJWQNZ-SNVBAGLBSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])[C@H]1C ZINC000706744914 977360571 /nfs/dbraw/zinc/36/05/71/977360571.db2.gz UOBZVYHGLDLNCQ-MNOVXSKESA-N 0 0 249.310 2.104 10 0 BEAERN C[C@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706743101 977360712 /nfs/dbraw/zinc/36/07/12/977360712.db2.gz MEAVZWFULNJZIL-QWRGUYRKSA-N 0 0 249.310 2.104 10 0 BEAERN C[C@@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706743099 977360726 /nfs/dbraw/zinc/36/07/26/977360726.db2.gz MEAVZWFULNJZIL-MNOVXSKESA-N 0 0 249.310 2.104 10 0 BEAERN CC[C@H]([NH2+]CC[C@H]1CC=CCC1)C(=O)[O-] ZINC000706753965 977360778 /nfs/dbraw/zinc/36/07/78/977360778.db2.gz KMKMXPBIRBKBDJ-QWRGUYRKSA-N 0 0 211.305 2.186 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC1 ZINC000706884628 977366780 /nfs/dbraw/zinc/36/67/80/977366780.db2.gz XUEXMSMMDXSPIQ-PWSUYJOCSA-N 0 0 223.316 2.186 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000706932661 977368501 /nfs/dbraw/zinc/36/85/01/977368501.db2.gz AAERCBHPYOPONE-ONGXEEELSA-N 0 0 235.283 2.352 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccsc2C(=O)[O-])[C@H]1C ZINC000706915304 977368930 /nfs/dbraw/zinc/36/89/30/977368930.db2.gz MWTZLBWDCFNSNE-YUMQZZPRSA-N 0 0 225.313 2.287 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000706948111 977370558 /nfs/dbraw/zinc/37/05/58/977370558.db2.gz KSICUOROUZERBB-IJLUTSLNSA-N 0 0 225.332 2.360 10 0 BEAERN Cc1[nH]c(C[NH2+][C@@H](C)C2(C)CC2)cc1C(=O)[O-] ZINC000706941049 977371022 /nfs/dbraw/zinc/37/10/22/977371022.db2.gz HESCSKVFWCCOGS-VIFPVBQESA-N 0 0 236.315 2.300 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(F)c1 ZINC000707025264 977373794 /nfs/dbraw/zinc/37/37/94/977373794.db2.gz FDZFSOJRPWDBNE-QPUJVOFHSA-N 0 0 235.258 2.118 10 0 BEAERN CCC[C@@](C)([NH2+]CC(F)(F)CC)C(=O)[O-] ZINC000707623209 977399492 /nfs/dbraw/zinc/39/94/92/977399492.db2.gz VLAGUZRNZVRJQE-SECBINFHSA-N 0 0 223.263 2.265 10 0 BEAERN C[C@H]([NH2+]CCC(=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000709124351 977453627 /nfs/dbraw/zinc/45/36/27/977453627.db2.gz NDZBGJFVBWBXMN-UMNHJUIQSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@H]1C[N@H+](CC2=CCCC2)C[C@]1(C)C(=O)[O-] ZINC000710167326 977489637 /nfs/dbraw/zinc/48/96/37/977489637.db2.gz ZEFPXQDETMFDJK-GWCFXTLKSA-N 0 0 223.316 2.139 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1C=CCC1)C(=O)[O-] ZINC000711732900 977570003 /nfs/dbraw/zinc/57/00/03/977570003.db2.gz UQLZTEVLJDJFEI-MNOVXSKESA-N 0 0 211.305 2.186 10 0 BEAERN CC[C@](C)([NH2+]C[C@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381822 977633950 /nfs/dbraw/zinc/63/39/50/977633950.db2.gz OKRHOJAJTIJLDB-MFKMUULPSA-N 0 0 243.347 2.035 10 0 BEAERN CCCC1(C[NH2+]C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC000715227964 977698989 /nfs/dbraw/zinc/69/89/89/977698989.db2.gz DHKPJLBBDNCCFJ-RKDXNWHRSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715282213 977723725 /nfs/dbraw/zinc/72/37/25/977723725.db2.gz HAJXBPYVXGNCAN-KATARQTJSA-N 0 0 247.285 2.121 10 0 BEAERN C[C@H](CC(C)(C)C)[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715329743 977743680 /nfs/dbraw/zinc/74/36/80/977743680.db2.gz ZAKMNMKQDKIFRI-VGMNWLOBSA-N 0 0 249.301 2.367 10 0 BEAERN CC[C@@](C)([NH2+]CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000715446403 977756731 /nfs/dbraw/zinc/75/67/31/977756731.db2.gz LUAOAMPINMIDQL-NTZNESFSSA-N 0 0 225.332 2.266 10 0 BEAERN C[C@H](C[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC000715665180 977777828 /nfs/dbraw/zinc/77/78/28/977777828.db2.gz AZYBNGGACOWMEJ-VGMNWLOBSA-N 0 0 249.301 2.224 10 0 BEAERN CCCC[C@H]([NH2+][C@H](C)c1ccns1)C(=O)[O-] ZINC000715976849 977802878 /nfs/dbraw/zinc/80/28/78/977802878.db2.gz UPSQQZCRRHFDHK-BDAKNGLRSA-N 0 0 242.344 2.437 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000717381687 977897228 /nfs/dbraw/zinc/89/72/28/977897228.db2.gz FHTFYVWSARSHBP-GHMZBOCLSA-N 0 0 243.347 2.035 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000718058851 977937741 /nfs/dbraw/zinc/93/77/41/977937741.db2.gz QFIYGXRWWMAZLD-WCFLWFBJSA-N 0 0 249.310 2.273 10 0 BEAERN O=C([O-])[C@@H]([NH2+][C@H]1CC12CCC2)c1ccccc1 ZINC000721224452 978096322 /nfs/dbraw/zinc/09/63/22/978096322.db2.gz DCYUVUXTKJANDG-RYUDHWBXSA-N 0 0 231.295 2.345 10 0 BEAERN C[N@@H+](Cc1cncc(C(=O)[O-])c1)CC1CCC1 ZINC000721532247 978116642 /nfs/dbraw/zinc/11/66/42/978116642.db2.gz RBTNQPPQZQEVAG-UHFFFAOYSA-N 0 0 234.299 2.012 10 0 BEAERN C[C@@H](C1CC1)[N@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542165 978118750 /nfs/dbraw/zinc/11/87/50/978118750.db2.gz SCKVLLRCFWUZPD-VIFPVBQESA-N 0 0 234.299 2.010 10 0 BEAERN C[N@H+](Cc1cncc(C(=O)[O-])c1)C1CC(C)(C)C1 ZINC000721600391 978120678 /nfs/dbraw/zinc/12/06/78/978120678.db2.gz WWRUPVDNECJMMN-UHFFFAOYSA-N 0 0 248.326 2.400 10 0 BEAERN CCC(CC)([NH2+]C[C@@H](COC)C(C)C)C(=O)[O-] ZINC000721862878 978127790 /nfs/dbraw/zinc/12/77/90/978127790.db2.gz YUTOAAKUZJXLNN-NSHDSACASA-N 0 0 245.363 2.138 10 0 BEAERN CCC[C@](C)([NH2+]C[C@H](COC)C(C)C)C(=O)[O-] ZINC000721885067 978128663 /nfs/dbraw/zinc/12/86/63/978128663.db2.gz XQBJPXWWGQWHQJ-YPMHNXCESA-N 0 0 245.363 2.138 10 0 BEAERN CC[C@@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693336 978164090 /nfs/dbraw/zinc/16/40/90/978164090.db2.gz NOLQVVXGGUSFPH-WISYIIOYSA-N 0 0 227.348 2.464 10 0 BEAERN Cn1ccc(COc2cccnc2Cl)n1 ZINC000123853570 983887948 /nfs/dbraw/zinc/88/79/48/983887948.db2.gz YZKIFNFAEWUMOQ-UHFFFAOYSA-N 0 0 223.663 2.048 10 0 BEAERN CCCCN(C)C(=O)c1cc(F)ccc1N ZINC000036882851 1170919379 /nfs/dbraw/zinc/91/93/79/1170919379.db2.gz AOKHJAKVKMLBQM-UHFFFAOYSA-N 0 0 224.279 2.280 10 0 BEAERN Nc1ccc(Cl)cc1C(=O)NCC1CCC1 ZINC000037179171 1170932274 /nfs/dbraw/zinc/93/22/74/1170932274.db2.gz NVKDFGNZFHQHLB-UHFFFAOYSA-N 0 0 238.718 2.452 10 0 BEAERN Nc1ccc(F)cc1C(=O)NC[C@@H]1CC=CCC1 ZINC000045628595 1171452271 /nfs/dbraw/zinc/45/22/71/1171452271.db2.gz XIRVSJLOVOSUJZ-SNVBAGLBSA-N 0 0 248.301 2.494 10 0 BEAERN Cc1ccc(NC(=O)c2cc(N)ccn2)c(F)c1 ZINC000050693317 1171825585 /nfs/dbraw/zinc/82/55/85/1171825585.db2.gz JYYXQTOYJYRYAP-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Nc1ccnc(C(=O)Nc2ccc(F)cc2)c1 ZINC000050699021 1171825933 /nfs/dbraw/zinc/82/59/33/1171825933.db2.gz JRSPUYVGJFQSDS-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1C(C)(C)C ZINC000685953975 538898481 /nfs/dbraw/zinc/89/84/81/538898481.db2.gz RAFYSVLMZSQWOW-UHFFFAOYSA-N 0 0 225.292 2.058 10 0 BEAERN Cc1cc(C)n(-c2ccc(C(N)=O)cc2Cl)n1 ZINC000104298214 177919909 /nfs/dbraw/zinc/91/99/09/177919909.db2.gz LYDZTGFAYCVNSB-UHFFFAOYSA-N 0 0 249.701 2.241 10 0 BEAERN CCNCC(F)(F)COCCSCC ZINC000685956392 538902354 /nfs/dbraw/zinc/90/23/54/538902354.db2.gz AJJOLBJTTUCOTO-UHFFFAOYSA-N 0 0 227.320 2.001 10 0 BEAERN CNCC(F)(F)CO[C@@H]1CC[C@H](C)C1 ZINC000685956430 538902989 /nfs/dbraw/zinc/90/29/89/538902989.db2.gz DLQLIZDVAWPLLJ-DTWKUNHWSA-N 0 0 207.264 2.046 10 0 BEAERN CCCCOCC(F)(F)CNCCC ZINC000685958075 538905647 /nfs/dbraw/zinc/90/56/47/538905647.db2.gz NSGDHKZEVOZMDW-UHFFFAOYSA-N 0 0 209.280 2.438 10 0 BEAERN CCc1ccc2c(c1)C[C@@H](O)[C@@H](C1CC1)N2 ZINC000685963545 538910545 /nfs/dbraw/zinc/91/05/45/538910545.db2.gz RVMPTLIBOCRCKS-ZIAGYGMSSA-N 0 0 217.312 2.357 10 0 BEAERN C[C@]1(C(=O)[O-])CC2(C[C@@H]1[NH3+])CCCCC2 ZINC000685958692 538906364 /nfs/dbraw/zinc/90/63/64/538906364.db2.gz DPUDEQITJDPPHD-ONGXEEELSA-N 0 0 211.305 2.149 10 0 BEAERN O=C1C[C@H](c2cscn2)C2(CCCCC2)N1 ZINC000685958853 538906393 /nfs/dbraw/zinc/90/63/93/538906393.db2.gz HKVHEFYRFSDDLH-SECBINFHSA-N 0 0 236.340 2.450 10 0 BEAERN CC[C@H](C)[C@@]1(C)CC(=O)NC12CCOCC2 ZINC000685958796 538906482 /nfs/dbraw/zinc/90/64/82/538906482.db2.gz GQWHEQICPPLOMF-CMPLNLGQSA-N 0 0 225.332 2.108 10 0 BEAERN COC(=O)C1=C(O)CC2(C1)CCCCC2 ZINC000685959018 538906528 /nfs/dbraw/zinc/90/65/28/538906528.db2.gz INVSDCMMHDENCQ-VIFPVBQESA-N 0 0 210.273 2.089 10 0 BEAERN O=C1C[C@@]2(CCSC2)C2(CCCCC2)N1 ZINC000685959535 538906658 /nfs/dbraw/zinc/90/66/58/538906658.db2.gz PEEMOGXTHMPCIR-LLVKDONJSA-N 0 0 225.357 2.333 10 0 BEAERN O=C1C[C@H](c2nccs2)C2(CCCCC2)N1 ZINC000685959727 538906777 /nfs/dbraw/zinc/90/67/77/538906777.db2.gz RINMQKRDKLULMN-SECBINFHSA-N 0 0 236.340 2.450 10 0 BEAERN CCC(C)(C)[C@@H]1CC(=O)NC12CCOCC2 ZINC000685959809 538907232 /nfs/dbraw/zinc/90/72/32/538907232.db2.gz SGSXLQFSLNGQLC-JTQLQIEISA-N 0 0 225.332 2.108 10 0 BEAERN CC(C)C(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961687 538908581 /nfs/dbraw/zinc/90/85/81/538908581.db2.gz NIKXKSBWXRBDIU-VHSXEESVSA-N 0 0 241.331 2.372 10 0 BEAERN Cc1cccc2c1N[C@@H](C(C)C)[C@@H](O)C2 ZINC000685963265 538909173 /nfs/dbraw/zinc/90/91/73/538909173.db2.gz KMUTXSAORUBNSU-RYUDHWBXSA-N 0 0 205.301 2.349 10 0 BEAERN Nc1ccc2nc(C(F)F)c(O)cc2c1 ZINC000685963025 538909554 /nfs/dbraw/zinc/90/95/54/538909554.db2.gz DVAANCDLQXRBMK-UHFFFAOYSA-N 0 0 210.183 2.460 10 0 BEAERN O[C@@H]1Cc2ccccc2N[C@@H]1CC1CC1 ZINC000685963042 538909859 /nfs/dbraw/zinc/90/98/59/538909859.db2.gz FLSLKYOLWUCKLO-CHWSQXEVSA-N 0 0 203.285 2.184 10 0 BEAERN C[C@@H]1CC[C@@](C(=O)[O-])([NH+]2CCCCC2)C1 ZINC000070766152 398137973 /nfs/dbraw/zinc/13/79/73/398137973.db2.gz SCZIHGYDBVDTFH-ZYHUDNBSSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@H](C(C)C)N2 ZINC000685963554 538910630 /nfs/dbraw/zinc/91/06/30/538910630.db2.gz SCWSAPWLQPQXRP-OLZOCXBDSA-N 0 0 205.301 2.349 10 0 BEAERN CCc1nc2c(C)cccc2cc1NN ZINC000685963204 538910102 /nfs/dbraw/zinc/91/01/02/538910102.db2.gz JNSUIFVFRXLYQK-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN CC(C)(C)[C@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000685963506 538910138 /nfs/dbraw/zinc/91/01/38/538910138.db2.gz QSXQWTJVXWMOCP-NEPJUHHUSA-N 0 0 220.316 2.012 10 0 BEAERN O[C@H]1Cc2ccccc2N[C@@H]1C1CCC1 ZINC000685963211 538910182 /nfs/dbraw/zinc/91/01/82/538910182.db2.gz JNZSVGZXGGGYOX-QWHCGFSZSA-N 0 0 203.285 2.184 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H](C1CCC1)N2 ZINC000685963497 538910206 /nfs/dbraw/zinc/91/02/06/538910206.db2.gz QHHCEFUELVVVOQ-UONOGXRCSA-N 0 0 217.312 2.493 10 0 BEAERN Cn1nc2c(c1N)C[C@H](C(C)(C)C)CC2 ZINC000685952594 538896290 /nfs/dbraw/zinc/89/62/90/538896290.db2.gz OCPWDZRHXUXEFG-MRVPVSSYSA-N 0 0 207.321 2.153 10 0 BEAERN COC(=O)[C@@H]1COc2c1ccc(Cl)c2F ZINC000685952187 538896551 /nfs/dbraw/zinc/89/65/51/538896551.db2.gz ZUBHSIYXBHOWFV-ZCFIWIBFSA-N 0 0 230.622 2.128 10 0 BEAERN O=Cc1ccc(-c2n[nH]c3c2COCC3)s1 ZINC000685952319 538896557 /nfs/dbraw/zinc/89/65/57/538896557.db2.gz FUEKYOFQLAQHRA-UHFFFAOYSA-N 0 0 234.280 2.023 10 0 BEAERN CCC[C@H](c1n[nH]nc1C(=O)OC)C(C)C ZINC000685952881 538897054 /nfs/dbraw/zinc/89/70/54/538897054.db2.gz DVZXMBWGQRINDM-QMMMGPOBSA-N 0 0 225.292 2.131 10 0 BEAERN Cc1cc(C)nc(N(CCO)C2CCCCC2)n1 ZINC000042525787 177936399 /nfs/dbraw/zinc/93/63/99/177936399.db2.gz QZBFWXNLTUCGJM-UHFFFAOYSA-N 0 0 249.358 2.225 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000408084397 136210308 /nfs/dbraw/zinc/21/03/08/136210308.db2.gz PGMNMFFSJZQZRD-GRYCIOLGSA-N 0 0 242.363 2.145 10 0 BEAERN Cc1cccc2c1N[C@H](C1CC1)[C@@H](O)C2 ZINC000685963893 538910858 /nfs/dbraw/zinc/91/08/58/538910858.db2.gz ZIKKYFFZVONQBO-WCQYABFASA-N 0 0 203.285 2.103 10 0 BEAERN O=C1NCCC2(CCC(F)(F)CC2)O1 ZINC000685965106 538911548 /nfs/dbraw/zinc/91/15/48/538911548.db2.gz PCDZUUDMYJJFDL-UHFFFAOYSA-N 0 0 205.204 2.064 10 0 BEAERN CCCCCn1cc2c(n1)[C@@H](C)NC(=O)O2 ZINC000685965524 538911852 /nfs/dbraw/zinc/91/18/52/538911852.db2.gz IELXTZIEWSKHGR-MRVPVSSYSA-N 0 0 223.276 2.236 10 0 BEAERN C[C@@H]1NC(=O)Oc2cn(C3CCCC3)nc21 ZINC000685965549 538911985 /nfs/dbraw/zinc/91/19/85/538911985.db2.gz JNURCRGQXGBBRJ-ZETCQYMHSA-N 0 0 221.260 2.161 10 0 BEAERN Nc1ccc2cn([C@@H]3CCSC3)nc2c1 ZINC000685965900 538912332 /nfs/dbraw/zinc/91/23/32/538912332.db2.gz YFHQNVKHOUGYBD-SNVBAGLBSA-N 0 0 219.313 2.297 10 0 BEAERN C[C@@H]([NH3+])c1nn([C@@H](C)C(C)(C)C)cc1[O-] ZINC000685965760 538912337 /nfs/dbraw/zinc/91/23/37/538912337.db2.gz RTZXVTYLADVJHG-SFYZADRCSA-N 0 0 211.309 2.216 10 0 BEAERN C[C@@H]([NH3+])c1nn([C@H](C)C(C)(C)C)cc1[O-] ZINC000685965758 538912420 /nfs/dbraw/zinc/91/24/20/538912420.db2.gz RTZXVTYLADVJHG-HTQZYQBOSA-N 0 0 211.309 2.216 10 0 BEAERN Nc1ccc2nc(C3CC3)c(O)cc2c1 ZINC000685963410 538913075 /nfs/dbraw/zinc/91/30/75/538913075.db2.gz NQCVDQYCOZEQFK-UHFFFAOYSA-N 0 0 200.241 2.400 10 0 BEAERN CCC[C@H](NC(=O)CC)C(=O)OC(C)(C)C ZINC000161522849 349460207 /nfs/dbraw/zinc/46/02/07/349460207.db2.gz HDDCENUPCMASJU-VIFPVBQESA-N 0 0 229.320 2.023 10 0 BEAERN Cc1cc(CCCO[C@@H]2CCCCO2)on1 ZINC000022005244 177963083 /nfs/dbraw/zinc/96/30/83/177963083.db2.gz MNYVRAMPKFQYDF-GFCCVEGCSA-N 0 0 225.288 2.459 10 0 BEAERN CSCCC(=O)N[C@H]1CC[C@H](C)C1 ZINC000129875117 136211676 /nfs/dbraw/zinc/21/16/76/136211676.db2.gz ZLQLXRSFSDYQDJ-IUCAKERBSA-N 0 0 201.335 2.044 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ccnc(N)c1 ZINC000616587859 349467385 /nfs/dbraw/zinc/46/73/85/349467385.db2.gz URNMNTISORWOGI-CYBMUJFWSA-N 0 0 240.310 2.097 10 0 BEAERN CCC(CC)(Nc1ccccc1OC)C(N)=O ZINC000037944862 168332116 /nfs/dbraw/zinc/33/21/16/168332116.db2.gz OMEWPEYXQBTSHL-UHFFFAOYSA-N 0 0 236.315 2.151 10 0 BEAERN Cc1nnc(Sc2cccc(N)c2C)o1 ZINC000062725616 187323597 /nfs/dbraw/zinc/32/35/97/187323597.db2.gz PBEALJNJUDGUPL-UHFFFAOYSA-N 0 0 221.285 2.420 10 0 BEAERN CCC1CCC(NC(=O)N2CCC2)CC1 ZINC000080081721 398148771 /nfs/dbraw/zinc/14/87/71/398148771.db2.gz JYBMIXZQOYRCJW-UHFFFAOYSA-N 0 0 210.321 2.371 10 0 BEAERN COc1cc(C(=O)[O-])ccc1C[NH+]1CCCCC1 ZINC000258214950 349501802 /nfs/dbraw/zinc/50/18/02/349501802.db2.gz WXKBNTHMYLLMLU-UHFFFAOYSA-N 0 0 249.310 2.379 10 0 BEAERN Cc1cc(CN2CCc3c(N)cccc3C2)on1 ZINC000038032910 178004061 /nfs/dbraw/zinc/00/40/61/178004061.db2.gz OKIFOCFFOAFCJK-UHFFFAOYSA-N 0 0 243.310 2.124 10 0 BEAERN Cc1cc(CNCc2nccs2)c(C)n1C ZINC000052790437 178029374 /nfs/dbraw/zinc/02/93/74/178029374.db2.gz GKUFAAPGKOZJNG-UHFFFAOYSA-N 0 0 235.356 2.388 10 0 BEAERN CCC(CC)C(=O)N1[C@H](C)COC[C@H]1C ZINC000040634459 168336479 /nfs/dbraw/zinc/33/64/79/168336479.db2.gz MOHUCFNJWQQFIE-NXEZZACHSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1cc(CN[C@H](C)c2ncc(C)o2)on1 ZINC000336670522 178039039 /nfs/dbraw/zinc/03/90/39/178039039.db2.gz RXAZGJDOCUDFNV-SECBINFHSA-N 0 0 221.260 2.130 10 0 BEAERN Cc1cc(CNc2cc(Cl)ncn2)on1 ZINC000045014455 178041875 /nfs/dbraw/zinc/04/18/75/178041875.db2.gz HHKFZKNXZSJJQE-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CNc2ccc(C)c(N)c2)on1 ZINC000061701873 178042826 /nfs/dbraw/zinc/04/28/26/178042826.db2.gz GUJHNQLJGYHEIO-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2ccc(N)c(C)c2)on1 ZINC000044988272 178043616 /nfs/dbraw/zinc/04/36/16/178043616.db2.gz UILGBKRYWKMMAZ-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2ccnc(Cl)n2)no1 ZINC000051850236 178044062 /nfs/dbraw/zinc/04/40/62/178044062.db2.gz LPDMJMPETNFEBP-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CO)nc(-c2ccc(F)c(C)c2)n1 ZINC000054830297 178046395 /nfs/dbraw/zinc/04/63/95/178046395.db2.gz UMUYJQMEQCVVLA-UHFFFAOYSA-N 0 0 232.258 2.392 10 0 BEAERN Cc1cc(COC(=O)c2ccccc2)n[nH]1 ZINC000039109787 178047792 /nfs/dbraw/zinc/04/77/92/178047792.db2.gz QMSFFBHXZUQMIR-UHFFFAOYSA-N 0 0 216.240 2.075 10 0 BEAERN CSCC(=O)N[C@H]1CCC(C)(C)C1 ZINC000122364981 398178570 /nfs/dbraw/zinc/17/85/70/398178570.db2.gz XTYFTZFXXMGEJO-QMMMGPOBSA-N 0 0 201.335 2.044 10 0 BEAERN Cc1cc(CSc2ncccc2N)on1 ZINC000037190973 178053068 /nfs/dbraw/zinc/05/30/68/178053068.db2.gz QCMOKVLYDNQEMR-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(CSc2ncccc2N)no1 ZINC000037190985 178053518 /nfs/dbraw/zinc/05/35/18/178053518.db2.gz AVCUDYIECILMHD-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(Cl)c2ncc([C@@H](C)O)n2c1 ZINC000082694228 178061634 /nfs/dbraw/zinc/06/16/34/178061634.db2.gz OSZCPHDLTJWRBO-SSDOTTSWSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nn(C)c2c1NCCN2Cc1ccccc1 ZINC000575515182 398163073 /nfs/dbraw/zinc/16/30/73/398163073.db2.gz NFCYIANCRFTJLB-UHFFFAOYSA-N 0 0 242.326 2.161 10 0 BEAERN CSc1ccccc1N1CN=NC1=S ZINC000232275994 398164672 /nfs/dbraw/zinc/16/46/72/398164672.db2.gz QHZBWGYKZZWUAH-UHFFFAOYSA-N 0 0 223.326 2.278 10 0 BEAERN Cc1cc(Cl)ccc1N1CC[C@H](O)C1 ZINC000077304783 178067981 /nfs/dbraw/zinc/06/79/81/178067981.db2.gz UULMDZPVBSKTDQ-JTQLQIEISA-N 0 0 211.692 2.219 10 0 BEAERN Cc1cc(Cl)cn2c([C@@H](C)O)cnc12 ZINC000082693488 178069652 /nfs/dbraw/zinc/06/96/52/178069652.db2.gz RSGBULVLBCTABI-SSDOTTSWSA-N 0 0 210.664 2.349 10 0 BEAERN C[C@@H]1CCC(=O)[C@H](C[C@@H](O)C(F)(F)F)C1 ZINC000222366535 398185570 /nfs/dbraw/zinc/18/55/70/398185570.db2.gz UPOZZPRYKBXIEN-BKPPORCPSA-N 0 0 224.222 2.305 10 0 BEAERN COc1ncc(C2=C[C@H](O)CCC2)s1 ZINC000307641367 398186521 /nfs/dbraw/zinc/18/65/21/398186521.db2.gz INGPFFDKYAVCHT-MRVPVSSYSA-N 0 0 211.286 2.080 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000137521566 178083686 /nfs/dbraw/zinc/08/36/86/178083686.db2.gz LNXSVISQHBUHNI-GZMMTYOYSA-N 0 0 207.248 2.272 10 0 BEAERN Cn1c(C2CC2)c2cnn(C)c(=O)c2c1C1CC1 ZINC000536959945 398199539 /nfs/dbraw/zinc/19/95/39/398199539.db2.gz XGRQGFBVJMZESU-UHFFFAOYSA-N 0 0 243.310 2.027 10 0 BEAERN Cc1cc(F)ccc1NC(=O)C[C@H](O)C(C)C ZINC000154135995 178088320 /nfs/dbraw/zinc/08/83/20/178088320.db2.gz IYMBEMHWDNMXNI-LBPRGKRZSA-N 0 0 239.290 2.480 10 0 BEAERN Cc1cc(F)ccc1NC(=O)C[C@@H](O)C(C)C ZINC000154136072 178088850 /nfs/dbraw/zinc/08/88/50/178088850.db2.gz IYMBEMHWDNMXNI-GFCCVEGCSA-N 0 0 239.290 2.480 10 0 BEAERN Cc1cc(F)ccc1[C@@H]([NH2+]C(C)C)C(=O)[O-] ZINC000050579818 178092299 /nfs/dbraw/zinc/09/22/99/178092299.db2.gz YQSOFODAACIETO-LLVKDONJSA-N 0 0 225.263 2.258 10 0 BEAERN Cc1cc(F)ccc1[C@H]1NC(=O)[C@@H]2CCCCN21 ZINC000078758629 178092352 /nfs/dbraw/zinc/09/23/52/178092352.db2.gz LKVVKMZLFZVEEQ-STQMWFEESA-N 0 0 248.301 2.117 10 0 BEAERN CCC(CC)C(=O)NCc1cccc(C)n1 ZINC000134210057 168338759 /nfs/dbraw/zinc/33/87/59/168338759.db2.gz CGIJCNIALVZWDS-UHFFFAOYSA-N 0 0 220.316 2.442 10 0 BEAERN Cc1cc(N(C)CC2CCOCC2)ccc1CO ZINC000104194900 178099089 /nfs/dbraw/zinc/09/90/89/178099089.db2.gz CMGVYXPKVXFUNB-UHFFFAOYSA-N 0 0 249.354 2.350 10 0 BEAERN Cc1csc(CN(C)c2cc(C)ncn2)n1 ZINC000301298161 178100009 /nfs/dbraw/zinc/10/00/09/178100009.db2.gz SSPNBNWTVGOJEC-UHFFFAOYSA-N 0 0 234.328 2.186 10 0 BEAERN Cc1cc(N)c(NS(=O)(=O)C(C)C)cc1C ZINC000050439370 178103251 /nfs/dbraw/zinc/10/32/51/178103251.db2.gz BIOCTRBGRCCWHV-UHFFFAOYSA-N 0 0 242.344 2.036 10 0 BEAERN Cc1cc(N)c(NC(=O)NC(C)C)cc1C ZINC000050439589 178103982 /nfs/dbraw/zinc/10/39/82/178103982.db2.gz JKKPGYCAUSLZMM-UHFFFAOYSA-N 0 0 221.304 2.416 10 0 BEAERN Cc1cc(N)ccc1C(=O)N[C@@H](C)C1CC1 ZINC000044748362 178105485 /nfs/dbraw/zinc/10/54/85/178105485.db2.gz CBIAIVJNTZGSQA-VIFPVBQESA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cc(N)ccc1NC1CCOCC1 ZINC000036319217 178106094 /nfs/dbraw/zinc/10/60/94/178106094.db2.gz ADLZECCMYPZRST-UHFFFAOYSA-N 0 0 206.289 2.168 10 0 BEAERN Cc1cc(N)ccc1S[C@@H](C)C(=O)N(C)C ZINC000037193849 178107323 /nfs/dbraw/zinc/10/73/23/178107323.db2.gz DUBGNNTUEAVMON-VIFPVBQESA-N 0 0 238.356 2.146 10 0 BEAERN Cc1cc(N)ccc1Oc1cncnc1 ZINC000039118782 178107776 /nfs/dbraw/zinc/10/77/76/178107776.db2.gz FFFMEHNLWJILGY-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1cc(N)ccc1Sc1cnn(C)c1 ZINC000042405955 178108087 /nfs/dbraw/zinc/10/80/87/178108087.db2.gz ZTDLDTDHDZHMBS-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000536961006 398200196 /nfs/dbraw/zinc/20/01/96/398200196.db2.gz WQWOAIDTHURVBE-ZDUSSCGKSA-N 0 0 231.295 2.327 10 0 BEAERN COc1nc(Cl)c(/C=C(/C)CO)s1 ZINC000306485918 398203881 /nfs/dbraw/zinc/20/38/81/398203881.db2.gz SDGFILRRHHBWGI-HYXAFXHYSA-N 0 0 219.693 2.201 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616612377 349517400 /nfs/dbraw/zinc/51/74/00/349517400.db2.gz CDUPQKMPHVZXDU-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN C=S(=C)(C)c1nc(Cl)cc(Cl)n1 ZINC000306818207 398206674 /nfs/dbraw/zinc/20/66/74/398206674.db2.gz JMEIBJOCELKSQS-UHFFFAOYSA-N 0 0 223.128 2.441 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1OC(F)(F)F ZINC000616621992 398207013 /nfs/dbraw/zinc/20/70/13/398207013.db2.gz HKOCHVSXFVKZBI-ZETCQYMHSA-N 0 0 241.209 2.491 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)sn1 ZINC000190323965 178147937 /nfs/dbraw/zinc/14/79/37/178147937.db2.gz JXBNWGDKTZOOJZ-BDAKNGLRSA-N 0 0 240.328 2.205 10 0 BEAERN CCC(CC)C(=O)Nc1nnc2cc(C)ccn21 ZINC000121775375 168342980 /nfs/dbraw/zinc/34/29/80/168342980.db2.gz QVVMOOYXZJQIOU-UHFFFAOYSA-N 0 0 246.314 2.412 10 0 BEAERN Cc1cc(NC(=O)c2cc(N)c(C)s2)no1 ZINC000040292634 178150607 /nfs/dbraw/zinc/15/06/07/178150607.db2.gz HHWXVHUPMJMRTH-UHFFFAOYSA-N 0 0 237.284 2.187 10 0 BEAERN Cc1cc(NC2(CO)CCC(C)CC2)nc(C)n1 ZINC000053109859 178152450 /nfs/dbraw/zinc/15/24/50/178152450.db2.gz HZUOGCXMYMVNHO-UHFFFAOYSA-N 0 0 249.358 2.447 10 0 BEAERN Cn1cnc(C(=O)[C@@H]2CCCC2(C)C)c1 ZINC000306563979 398210911 /nfs/dbraw/zinc/21/09/11/398210911.db2.gz WAVNBXPYMNIBRX-VIFPVBQESA-N 0 0 206.289 2.429 10 0 BEAERN Cc1cc(NCCc2ccc[nH]2)nc(C)n1 ZINC000133776586 178162751 /nfs/dbraw/zinc/16/27/51/178162751.db2.gz OFSGVCZKJOCTRY-UHFFFAOYSA-N 0 0 216.288 2.076 10 0 BEAERN Cc1cnc(CCNc2cc(C)ncn2)s1 ZINC000301335741 178163441 /nfs/dbraw/zinc/16/34/41/178163441.db2.gz NVULKHRPTXQEBZ-UHFFFAOYSA-N 0 0 234.328 2.205 10 0 BEAERN Cc1cc(NCCc2nccs2)nnc1C ZINC000302277510 178163580 /nfs/dbraw/zinc/16/35/80/178163580.db2.gz IIVSNCCRPYWIIO-UHFFFAOYSA-N 0 0 234.328 2.205 10 0 BEAERN O=C([O-])c1cc(F)cc(C[NH+]2CCCC2)c1 ZINC000163613806 538929577 /nfs/dbraw/zinc/92/95/77/538929577.db2.gz PVSWHWCILNLINC-UHFFFAOYSA-N 0 0 223.247 2.120 10 0 BEAERN CC(C)[N@H+](C)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163625298 538929814 /nfs/dbraw/zinc/92/98/14/538929814.db2.gz YXZPSLUVRJEGLS-UHFFFAOYSA-N 0 0 225.263 2.364 10 0 BEAERN Cc1ccc([C@@](C)(O)CNc2cc(C)ncn2)o1 ZINC000301410563 178170338 /nfs/dbraw/zinc/17/03/38/178170338.db2.gz JUEIXALLJKSIAY-ZDUSSCGKSA-N 0 0 247.298 2.006 10 0 BEAERN CCC(CC)CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000120715610 168347307 /nfs/dbraw/zinc/34/73/07/168347307.db2.gz FEMODGGYWYNAQH-PWSUYJOCSA-N 0 0 227.348 2.496 10 0 BEAERN Cc1cc(NCc2ccccn2)nc(Cl)n1 ZINC000052814283 178172453 /nfs/dbraw/zinc/17/24/53/178172453.db2.gz QWHHVOCGVVJYBJ-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN Cc1cc(NCc2ccccc2)cc(=O)[nH]1 ZINC000017106062 178173184 /nfs/dbraw/zinc/17/31/84/178173184.db2.gz NYENTOMZJUUVDE-UHFFFAOYSA-N 0 0 214.268 2.295 10 0 BEAERN Cc1cc(NCc2cccc(CO)c2)nnc1C ZINC000302603152 178173823 /nfs/dbraw/zinc/17/38/23/178173823.db2.gz COOKRDLZROMNER-UHFFFAOYSA-N 0 0 243.310 2.198 10 0 BEAERN Cc1cc(N[C@H]2CCCOCC2)nnc1C ZINC000302818389 178189220 /nfs/dbraw/zinc/18/92/20/178189220.db2.gz NBLBVPPQANGSOG-NSHDSACASA-N 0 0 221.304 2.074 10 0 BEAERN Cc1cc(NCc2cccnc2)sn1 ZINC000015042027 178174570 /nfs/dbraw/zinc/17/45/70/178174570.db2.gz IQZHNFJEMOZXAV-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CN(Cc1cscn1)C[C@@H]1CCC[C@H](O)C1 ZINC000381116515 398221108 /nfs/dbraw/zinc/22/11/08/398221108.db2.gz HINIRJZINHGIKE-PWSUYJOCSA-N 0 0 240.372 2.126 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(-n2cnnn2)cc1 ZINC000020094386 538930455 /nfs/dbraw/zinc/93/04/55/538930455.db2.gz HATBCSIOJPYICH-SNVBAGLBSA-N 0 0 231.303 2.119 10 0 BEAERN Cc1cc(N[C@@H](C)[C@H]2CCCO2)nnc1C ZINC000110101583 178178150 /nfs/dbraw/zinc/17/81/50/178178150.db2.gz GLWPPILQVGZIHR-WDEREUQCSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(N[C@H](C)C(=O)N(C)C)ccc1F ZINC000061096949 178184313 /nfs/dbraw/zinc/18/43/13/178184313.db2.gz PIAQVJNOMFYNGZ-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@]2(C)CO)nc(C)n1 ZINC000301432748 178190576 /nfs/dbraw/zinc/19/05/76/178190576.db2.gz GLKXUKLDRBNYOL-WCQYABFASA-N 0 0 235.331 2.056 10 0 BEAERN CN(C)/C=N/c1cccc(Cl)c1C#N ZINC000213524766 398227156 /nfs/dbraw/zinc/22/71/56/398227156.db2.gz ARJGAGQBFKBOOF-NTUHNPAUSA-N 0 0 207.664 2.433 10 0 BEAERN CN1CC[C@H](c2ccnnc2)c2ccccc21 ZINC000616589020 349520977 /nfs/dbraw/zinc/52/09/77/349520977.db2.gz FBMDXJMDJLYGRF-GFCCVEGCSA-N 0 0 225.295 2.448 10 0 BEAERN CC[C@@H](c1nccs1)N1CCC(=O)CC1 ZINC000070733800 361745580 /nfs/dbraw/zinc/74/55/80/361745580.db2.gz ISDKFUSFAXNCLC-JTQLQIEISA-N 0 0 224.329 2.259 10 0 BEAERN Cc1cc(O)cnc1C(=O)OC(C)(C)C ZINC000299889370 178201153 /nfs/dbraw/zinc/20/11/53/178201153.db2.gz IIDZESVWGLHRNL-UHFFFAOYSA-N 0 0 209.245 2.051 10 0 BEAERN Cc1cc(Oc2cccc(C)c2N)ncn1 ZINC000040727488 178214916 /nfs/dbraw/zinc/21/49/16/178214916.db2.gz PNBQXMLKGCLGJN-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN CCc1ccc(-c2nc(N)ns2)cc1 ZINC000070839700 361781372 /nfs/dbraw/zinc/78/13/72/361781372.db2.gz KKSVMFGAHJYXQO-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN Cc1ncsc1Cn1c(C)n[nH]c1=S ZINC000070837337 361781513 /nfs/dbraw/zinc/78/15/13/361781513.db2.gz SOWVZYHXBINNNP-UHFFFAOYSA-N 0 0 226.330 2.062 10 0 BEAERN Cc1cc(S(=O)(=O)N[C@H](C)C(C)C)c(C)o1 ZINC000183041434 178216924 /nfs/dbraw/zinc/21/69/24/178216924.db2.gz JFOUYWKVFOFADP-SECBINFHSA-N 0 0 245.344 2.219 10 0 BEAERN Cc1cc(Sc2cnn(C)c2)ccc1N ZINC000042405966 178219634 /nfs/dbraw/zinc/21/96/34/178219634.db2.gz GJOPGRAJWJKIQD-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN O=C(CC1(O)CCCCC1)N1C[C@H]2CCC[C@@H]21 ZINC000334196102 136224284 /nfs/dbraw/zinc/22/42/84/136224284.db2.gz KXKCJEZGEXIWBY-NEPJUHHUSA-N 0 0 237.343 2.083 10 0 BEAERN CCC(CC)CNC(=O)NCc1cscn1 ZINC000105210021 168355466 /nfs/dbraw/zinc/35/54/66/168355466.db2.gz BYDLDCRQKIQZMZ-UHFFFAOYSA-N 0 0 241.360 2.379 10 0 BEAERN Cc1cc([C@@H]([NH2+]C2CC2)C(=O)[O-])c(C)s1 ZINC000049687654 178237532 /nfs/dbraw/zinc/23/75/32/178237532.db2.gz IJTSWMAQUANRLY-SNVBAGLBSA-N 0 0 225.313 2.243 10 0 BEAERN Cc1cc([C@@H](C)NN)sc1Br ZINC000127207639 398236237 /nfs/dbraw/zinc/23/62/37/398236237.db2.gz RPVLRYPKPZIYBW-RXMQYKEDSA-N 0 0 235.150 2.343 10 0 BEAERN Cc1cc([C@H](C)n2nccc2N)c(C)o1 ZINC000020439564 178260239 /nfs/dbraw/zinc/26/02/39/178260239.db2.gz CCTBQTWFRJZGDD-QMMMGPOBSA-N 0 0 205.261 2.284 10 0 BEAERN CC(C)CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000151062341 398237654 /nfs/dbraw/zinc/23/76/54/398237654.db2.gz RBWGVLAPEAYBEN-RYUDHWBXSA-N 0 0 227.348 2.090 10 0 BEAERN O[C@H](C[C@@H]1CO1)c1ccc(Br)cc1 ZINC000616568718 538938116 /nfs/dbraw/zinc/93/81/16/538938116.db2.gz CTKAYPZETSVGEV-NXEZZACHSA-N 0 0 243.100 2.271 10 0 BEAERN Cc1cc([C@H]([NH2+]C2CC2)C(=O)[O-])c(C)s1 ZINC000049687653 178261968 /nfs/dbraw/zinc/26/19/68/178261968.db2.gz IJTSWMAQUANRLY-JTQLQIEISA-N 0 0 225.313 2.243 10 0 BEAERN Cc1cc([C@H]([NH2+]C(C)C)C(=O)[O-])c(C)s1 ZINC000049687651 178263080 /nfs/dbraw/zinc/26/30/80/178263080.db2.gz MGQOAMICNNCONO-JTQLQIEISA-N 0 0 227.329 2.489 10 0 BEAERN Cc1cc2n[nH]cc2cc1N[C@H]1CCOC1 ZINC000276764586 178277330 /nfs/dbraw/zinc/27/73/30/178277330.db2.gz JHXRNJDRCGIZTF-JTQLQIEISA-N 0 0 217.272 2.072 10 0 BEAERN Cc1cc2c(N)c(C(=O)[O-])c[nH+]c2cc1Cl ZINC000072237408 178280209 /nfs/dbraw/zinc/28/02/09/178280209.db2.gz HQSRMRBQHYOKLO-UHFFFAOYSA-N 0 0 236.658 2.477 10 0 BEAERN Cc1cc2c(c(C)c1CCO)C(=O)C(C)(C)[C@@H]2O ZINC000006070276 178282475 /nfs/dbraw/zinc/28/24/75/178282475.db2.gz FITSCHPIOGIYJY-CYBMUJFWSA-N 0 0 248.322 2.094 10 0 endogenous,in-man BEAERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1C[C@@H]1C)C2 ZINC000079961941 178285843 /nfs/dbraw/zinc/28/58/43/178285843.db2.gz SHGBFYRBIWIHQO-SUHUHFCYSA-N 0 0 245.322 2.132 10 0 BEAERN Cc1cc2nc(-c3c[nH]nc3N)[nH]c2cc1C ZINC000051847964 178300655 /nfs/dbraw/zinc/30/06/55/178300655.db2.gz HXRXIUUUORTGJP-UHFFFAOYSA-N 0 0 227.271 2.152 10 0 BEAERN Cc1cc2oc(=O)n(C)c2c(C)c1Cl ZINC000041568862 178307607 /nfs/dbraw/zinc/30/76/07/178307607.db2.gz GRQSKLGZXDVATI-UHFFFAOYSA-N 0 0 211.648 2.402 10 0 BEAERN Cc1ccc(-c2cc(N)n(C)n2)cc1C ZINC000036938258 178322183 /nfs/dbraw/zinc/32/21/83/178322183.db2.gz AZWWUYBCWDSACT-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1ccc(-c2nc(N)nc(Cl)n2)cc1 ZINC000072192359 178336362 /nfs/dbraw/zinc/33/63/62/178336362.db2.gz KTZKJDUHWAZTEW-UHFFFAOYSA-N 0 0 220.663 2.083 10 0 BEAERN Cc1ccc(-c2nc3scnn3c2N)cc1 ZINC000095221131 178337981 /nfs/dbraw/zinc/33/79/81/178337981.db2.gz DPIMSBGCKFOLCY-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN Cc1ccc(-c2nnc3cc(Cl)ncn32)cn1 ZINC000036903860 178342049 /nfs/dbraw/zinc/34/20/49/178342049.db2.gz PVYGYMRTLJACLD-UHFFFAOYSA-N 0 0 245.673 2.148 10 0 BEAERN Cc1ccc(-c2nnc3ccc(N)cn32)cc1 ZINC000019753833 178342141 /nfs/dbraw/zinc/34/21/41/178342141.db2.gz RHSWNKNNBVYZAZ-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1ccc(-c2noc(C[C@H](O)C3CC3)n2)cc1 ZINC000104060133 178344120 /nfs/dbraw/zinc/34/41/20/178344120.db2.gz CASABZGIQXCZLZ-LBPRGKRZSA-N 0 0 244.294 2.358 10 0 BEAERN Cc1c(N)ncnc1N(C)Cc1ccccc1 ZINC000127238560 398254791 /nfs/dbraw/zinc/25/47/91/398254791.db2.gz BTGVYXRHCCPYDN-UHFFFAOYSA-N 0 0 228.299 2.004 10 0 BEAERN Cc1ccc(-c2cnc(=O)[nH]c2)c(C)c1 ZINC000049812142 178329324 /nfs/dbraw/zinc/32/93/24/178329324.db2.gz MGQKIINJNIHMBG-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN Cc1ccc(-c2n[nH]c3c2[C@H](O)CC3)cc1 ZINC000072415283 178331136 /nfs/dbraw/zinc/33/11/36/178331136.db2.gz QPXGCRZDDGBTBD-LLVKDONJSA-N 0 0 214.268 2.365 10 0 BEAERN Cc1ccc(/C=C\c2noc(CN)n2)cc1 ZINC000073640988 178358009 /nfs/dbraw/zinc/35/80/09/178358009.db2.gz HXPYERPXNQNNFE-SREVYHEPSA-N 0 0 215.256 2.007 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@H]2C[C@H]2C)cc1N ZINC000104425106 178377733 /nfs/dbraw/zinc/37/77/33/178377733.db2.gz DXECKMPNFXRUNB-ZYHUDNBSSA-N 0 0 232.327 2.305 10 0 BEAERN CN1CCc2ccccc2[C@@H]1c1cncnc1 ZINC000616589367 349559045 /nfs/dbraw/zinc/55/90/45/349559045.db2.gz YYSVFSHGDGTTJA-AWEZNQCLSA-N 0 0 225.295 2.054 10 0 BEAERN CCOC(=O)C(C)(C)c1ccc(N)cc1F ZINC000259424211 349575186 /nfs/dbraw/zinc/57/51/86/349575186.db2.gz DDGXJCQNXKZVGK-UHFFFAOYSA-N 0 0 225.263 2.249 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C)cc1C ZINC000296169616 178390724 /nfs/dbraw/zinc/39/07/24/178390724.db2.gz TUJLJUCDEZABEA-OCCSQVGLSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000179246136 538954884 /nfs/dbraw/zinc/95/48/84/538954884.db2.gz YJWRXYLBSNWICX-UONOGXRCSA-N 0 0 247.338 2.276 10 0 BEAERN CC(C)C[C@@H](C)n1c(N)n[nH]c1=S ZINC000070881526 361833470 /nfs/dbraw/zinc/83/34/70/361833470.db2.gz SQHVHOJWPZKLAS-ZCFIWIBFSA-N 0 0 200.311 2.130 10 0 BEAERN C[C@@H](c1ccsc1)n1c(N)n[nH]c1=S ZINC000070882039 361833904 /nfs/dbraw/zinc/83/39/04/361833904.db2.gz DKMZGSNTRINZNV-YFKPBYRVSA-N 0 0 226.330 2.194 10 0 BEAERN C[C@H]1CCCC[C@H]1n1c(N)n[nH]c1=S ZINC000070881374 361833932 /nfs/dbraw/zinc/83/39/32/361833932.db2.gz DEBZTKLCXXWDEX-NKWVEPMBSA-N 0 0 212.322 2.274 10 0 BEAERN CC(C)CC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405505992 538959853 /nfs/dbraw/zinc/95/98/53/538959853.db2.gz MOBPFNRABQFFHR-UHFFFAOYSA-N 0 0 241.331 2.469 10 0 BEAERN CC(=O)Oc1c(C=O)ccc2ccc(C)nc21 ZINC000222976453 398274478 /nfs/dbraw/zinc/27/44/78/398274478.db2.gz YENDHHQTKQCVAQ-UHFFFAOYSA-N 0 0 229.235 2.281 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1C ZINC000133659401 178423064 /nfs/dbraw/zinc/42/30/64/178423064.db2.gz BQVICHOELVLBRW-NEPJUHHUSA-N 0 0 235.327 2.050 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccoc1 ZINC000405558379 538960416 /nfs/dbraw/zinc/96/04/16/538960416.db2.gz CTHXXYLFKIYSNC-QMMMGPOBSA-N 0 0 239.271 2.376 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cccnc1N ZINC000616613225 349606876 /nfs/dbraw/zinc/60/68/76/349606876.db2.gz QSTBMSVAVSRCQV-LLVKDONJSA-N 0 0 249.314 2.347 10 0 BEAERN N#C[C@H](N)c1c[nH]c2c1cccc2Cl ZINC000259842314 349609289 /nfs/dbraw/zinc/60/92/89/349609289.db2.gz YNRLETIIKITLLX-VIFPVBQESA-N 0 0 205.648 2.345 10 0 BEAERN CCOC(=O)c1cc(C2CCC2)nc(C)n1 ZINC000259811853 349609357 /nfs/dbraw/zinc/60/93/57/349609357.db2.gz PNWOUULRYWUQGA-UHFFFAOYSA-N 0 0 220.272 2.229 10 0 BEAERN CC[C@H](C)[C@@H](C)n1c(N)n[nH]c1=S ZINC000070882725 361850758 /nfs/dbraw/zinc/85/07/58/361850758.db2.gz MDJKUTWQDJHETJ-NTSWFWBYSA-N 0 0 200.311 2.130 10 0 BEAERN CC(=O)O[C@@H]1COc2ccc3ncccc3c2C1 ZINC000144045495 342695286 /nfs/dbraw/zinc/69/52/86/342695286.db2.gz PKNXKUNYISAOEP-JTQLQIEISA-N 0 0 243.262 2.101 10 0 BEAERN C/C(=C\Cl)Cn1ccnc(Cl)c1=O ZINC000379301205 342700541 /nfs/dbraw/zinc/70/05/41/342700541.db2.gz VOBRBDWYSPXVMD-GQCTYLIASA-N 0 0 219.071 2.039 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2C)c(F)c1 ZINC000149545338 178426497 /nfs/dbraw/zinc/42/64/97/178426497.db2.gz VUFYGRKMLUGING-BXKDBHETSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1cc(N[C@@H](C)C(C)C)ccc1-n1cnnn1 ZINC000037104059 538961831 /nfs/dbraw/zinc/96/18/31/538961831.db2.gz IYHQLWYMNNRNEB-NSHDSACASA-N 0 0 245.330 2.427 10 0 BEAERN C[C@H](CC(F)F)Nc1cc(Cl)nc(N)n1 ZINC000306649681 361845340 /nfs/dbraw/zinc/84/53/40/361845340.db2.gz FDXIPFDXKTWDLH-SCSAIBSYSA-N 0 0 236.653 2.168 10 0 BEAERN CC(=O)c1cnc(-c2ccccc2)nc1N(C)C ZINC000006717939 342747231 /nfs/dbraw/zinc/74/72/31/342747231.db2.gz LYDTUMUYLBAXAZ-UHFFFAOYSA-N 0 0 241.294 2.412 10 0 BEAERN Cc1ccc([C@H]([NH3+])CC(=O)[O-])cc1Cl ZINC000002582511 342725580 /nfs/dbraw/zinc/72/55/80/342725580.db2.gz PSADWAFKJVDJGO-SECBINFHSA-N 0 0 213.664 2.123 10 0 BEAERN CCOC(=O)C[C@H]1CCc2cc(O)ccc21 ZINC000144372921 342730031 /nfs/dbraw/zinc/73/00/31/342730031.db2.gz KCIMHLFQVFKWQS-SNVBAGLBSA-N 0 0 220.268 2.375 10 0 BEAERN CCc1nc2cccc(Cl)c2[nH]c1=O ZINC000216000459 342730173 /nfs/dbraw/zinc/73/01/73/342730173.db2.gz QLLNHOFFSBXWNY-UHFFFAOYSA-N 0 0 208.648 2.139 10 0 BEAERN Nc1n[nH]c(Cc2c(Cl)cccc2Cl)n1 ZINC000003723293 342737171 /nfs/dbraw/zinc/73/71/71/342737171.db2.gz BDBJAINMBPARPG-UHFFFAOYSA-N 0 0 243.097 2.285 10 0 BEAERN C[C@H](CO)Nc1nccc2sccc21 ZINC000035687778 342755655 /nfs/dbraw/zinc/75/56/55/342755655.db2.gz HAIDOVXJFUYCEO-SSDOTTSWSA-N 0 0 208.286 2.089 10 0 BEAERN Oc1ccc(Cc2cccnc2)c(O)c1 ZINC000144951447 342756823 /nfs/dbraw/zinc/75/68/23/342756823.db2.gz ZWKHYPPKPLXBIY-UHFFFAOYSA-N 0 0 201.225 2.084 10 0 BEAERN C[C@H](c1cccs1)N1CN=NC1=S ZINC000035737203 342757650 /nfs/dbraw/zinc/75/76/50/342757650.db2.gz WEMDADRPOYMZQW-ZCFIWIBFSA-N 0 0 211.315 2.238 10 0 BEAERN C[C@H](NC(=O)n1ccnc1)c1cccs1 ZINC000035737280 342757757 /nfs/dbraw/zinc/75/77/57/342757757.db2.gz RRLLHJRJYOJTFM-QMMMGPOBSA-N 0 0 221.285 2.264 10 0 BEAERN COc1cc2c(ccc[n+]2[O-])cc1Cl ZINC000145192012 342760354 /nfs/dbraw/zinc/76/03/54/342760354.db2.gz ATKGMSAEUVWOCI-UHFFFAOYSA-N 0 0 209.632 2.135 10 0 BEAERN N#Cc1cc2cc(Cl)ccc2oc1=N ZINC000006863582 342770011 /nfs/dbraw/zinc/77/00/11/342770011.db2.gz ICHAVFURYGPSBQ-UHFFFAOYSA-N 0 0 204.616 2.437 10 0 BEAERN CCOC(=O)[C@@H](C#N)c1cc(F)cc(OC)c1 ZINC000146623953 342770317 /nfs/dbraw/zinc/77/03/17/342770317.db2.gz BBJUMMDFVHGQFB-NSHDSACASA-N 0 0 237.230 2.005 10 0 BEAERN C[C@@H]1Nc2cccc(Br)c2NC1=O ZINC000146706993 342770884 /nfs/dbraw/zinc/77/08/84/342770884.db2.gz OBPXVNHZIRSPCL-YFKPBYRVSA-N 0 0 241.088 2.202 10 0 BEAERN CCC(CC)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050697487 168387563 /nfs/dbraw/zinc/38/75/63/168387563.db2.gz JFKQSFULFBYIAY-UHFFFAOYSA-N 0 0 241.722 2.236 10 0 BEAERN C[C@]1(CO)CCC[C@H]1Nc1ncc(Cl)cn1 ZINC000301481854 398282565 /nfs/dbraw/zinc/28/25/65/398282565.db2.gz FDALHMFMFDKYCR-MWLCHTKSSA-N 0 0 241.722 2.093 10 0 BEAERN Nc1cccc(Cc2ccc3c(c2)CC(=O)N3)c1 ZINC000146973159 342773340 /nfs/dbraw/zinc/77/33/40/342773340.db2.gz AUHNHLPJFZBRMT-UHFFFAOYSA-N 0 0 238.290 2.354 10 0 BEAERN c1c2ccccc2oc1N1CCOCC1 ZINC000147180720 342774215 /nfs/dbraw/zinc/77/42/15/342774215.db2.gz OETXGKQGMCFMES-UHFFFAOYSA-N 0 0 203.241 2.269 10 0 BEAERN O=C1NCc2ccccc2N1N1CCCCC1 ZINC000147450535 342775706 /nfs/dbraw/zinc/77/57/06/342775706.db2.gz KJALTZNLZOIMSR-UHFFFAOYSA-N 0 0 231.299 2.117 10 0 BEAERN O=C1CCCN1C1(c2ccccc2)CC1 ZINC000147587524 342777179 /nfs/dbraw/zinc/77/71/79/342777179.db2.gz GVSNDIWYFCPOQZ-UHFFFAOYSA-N 0 0 201.269 2.298 10 0 BEAERN Cc1ccc(NC(=O)c2cccc(N)c2)c(N)c1 ZINC000006714791 342781436 /nfs/dbraw/zinc/78/14/36/342781436.db2.gz KSGQBNVCBBQITD-UHFFFAOYSA-N 0 0 241.294 2.412 10 0 BEAERN Cc1c(CNc2ccc3c(c2)OCO3)cnn1C ZINC000002536200 342784369 /nfs/dbraw/zinc/78/43/69/342784369.db2.gz MBBZQKJFAQOITC-UHFFFAOYSA-N 0 0 245.282 2.069 10 0 BEAERN CCOC(=O)[C@H]1CC=C(c2cccnc2N)CC1 ZINC000148207729 342789088 /nfs/dbraw/zinc/78/90/88/342789088.db2.gz AYLMTEUUPBIJTA-NSHDSACASA-N 0 0 246.310 2.410 10 0 BEAERN CCOC(=O)C1CCC(c2cnccn2)CC1 ZINC000148505532 342791469 /nfs/dbraw/zinc/79/14/69/342791469.db2.gz TXUDDYZBVLLLEN-UHFFFAOYSA-N 0 0 234.299 2.314 10 0 BEAERN COC(=O)CCc1ccc2cccc(O)c2n1 ZINC000149086465 342792778 /nfs/dbraw/zinc/79/27/78/342792778.db2.gz VISYYQKPGAKAON-UHFFFAOYSA-N 0 0 231.251 2.046 10 0 BEAERN O=Cc1ccc(CCO)c2ccccc12 ZINC000149559357 342794325 /nfs/dbraw/zinc/79/43/25/342794325.db2.gz HVIMNVQZFZBEST-UHFFFAOYSA-N 0 0 200.237 2.187 10 0 BEAERN CC(C)[N@@H+]1Cc2ccccc2[C@H]1CC(=O)[O-] ZINC000149792261 342794762 /nfs/dbraw/zinc/79/47/62/342794762.db2.gz DVWGICSQDVNBJR-GFCCVEGCSA-N 0 0 219.284 2.426 10 0 BEAERN CCOC(=O)c1c(C)cc2c(c1C)C(=O)OC2 ZINC000149790980 342794954 /nfs/dbraw/zinc/79/49/54/342794954.db2.gz ZWXSFJAVIPCISC-UHFFFAOYSA-N 0 0 234.251 2.151 10 0 BEAERN O=C(O[C@@H]1CC[C@@H]2C(=O)C[C@@H]21)c1ccccc1 ZINC000150027232 342795765 /nfs/dbraw/zinc/79/57/65/342795765.db2.gz GNDYVUUIJUDHMI-GMXVVIOVSA-N 0 0 230.263 2.211 10 0 BEAERN Cc1nc(N)c(C)c(OCc2ccccc2)n1 ZINC000157529957 342796273 /nfs/dbraw/zinc/79/62/73/342796273.db2.gz UFUPTZSPEQVTEU-UHFFFAOYSA-N 0 0 229.283 2.255 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H]2CC(C)(C)CO2)o1 ZINC000634582371 342798164 /nfs/dbraw/zinc/79/81/64/342798164.db2.gz QNXMCABZZROOLE-WDEREUQCSA-N 0 0 238.331 2.449 10 0 BEAERN CCOC(=O)c1ccc([C@@H](O)C2CC2)cc1 ZINC000118433416 342816333 /nfs/dbraw/zinc/81/63/33/342816333.db2.gz HOUOXHSUQWJJMW-LBPRGKRZSA-N 0 0 220.268 2.307 10 0 BEAERN COCCNc1nc(N)c(Cl)cc1Cl ZINC000226557309 342821834 /nfs/dbraw/zinc/82/18/34/342821834.db2.gz HJZXFJBRPNUVGC-UHFFFAOYSA-N 0 0 236.102 2.029 10 0 BEAERN CCC(CC)Nc1cc(C(=O)NC)ccc1N ZINC000103964363 168394321 /nfs/dbraw/zinc/39/43/21/168394321.db2.gz ZTVNJGJBLFDJDO-UHFFFAOYSA-N 0 0 235.331 2.229 10 0 BEAERN CCC(CC)Nc1ccc(CC(N)=O)cc1 ZINC000037074932 168394329 /nfs/dbraw/zinc/39/43/29/168394329.db2.gz VDMFFKUZPBGOIF-UHFFFAOYSA-N 0 0 220.316 2.315 10 0 BEAERN NN[C@@H](c1ccccc1Br)C1CC1 ZINC000097510458 342806878 /nfs/dbraw/zinc/80/68/78/342806878.db2.gz XLLGDGMGEBNOID-SNVBAGLBSA-N 0 0 241.132 2.364 10 0 BEAERN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NO ZINC000127070675 342829308 /nfs/dbraw/zinc/82/93/08/342829308.db2.gz FDAKBZMSUJEDDJ-UWVGGRQHSA-N 0 0 244.335 2.049 10 0 BEAERN COCc1nc(CNCC(C)(F)F)cs1 ZINC000381986791 398293275 /nfs/dbraw/zinc/29/32/75/398293275.db2.gz GQHURIALGYFRSO-UHFFFAOYSA-N 0 0 236.287 2.034 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(C)C1CCCC1 ZINC000191679153 538993417 /nfs/dbraw/zinc/99/34/17/538993417.db2.gz UWZFKQQWCLRSQN-ZYHUDNBSSA-N 0 0 225.332 2.203 10 0 BEAERN CC(C)c1nnc(Cl)n1-c1cccnc1 ZINC000071052644 361936562 /nfs/dbraw/zinc/93/65/62/361936562.db2.gz GRBKEVGYFGCXQT-UHFFFAOYSA-N 0 0 222.679 2.439 10 0 BEAERN CCc1nnc(Cl)n1-c1ccccc1 ZINC000071053219 361937377 /nfs/dbraw/zinc/93/73/77/361937377.db2.gz BBRKQCLEDKKQNV-UHFFFAOYSA-N 0 0 207.664 2.483 10 0 BEAERN CCC(C)(C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191731037 538993472 /nfs/dbraw/zinc/99/34/72/538993472.db2.gz REGYCESCZJQWPS-VHSXEESVSA-N 0 0 213.321 2.106 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@@H]1CCCOC1 ZINC000071055728 361939147 /nfs/dbraw/zinc/93/91/47/361939147.db2.gz NZPOFXKSSIXGQX-MRVPVSSYSA-N 0 0 229.711 2.406 10 0 BEAERN CCOC(=O)[C@]1(CC)O[C@]12CCC2(C)C ZINC000379981825 538983059 /nfs/dbraw/zinc/98/30/59/538983059.db2.gz SNSDMNSHERNTLZ-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN Brc1nnc([C@H]2CCCO2)s1 ZINC000071051446 361941385 /nfs/dbraw/zinc/94/13/85/361941385.db2.gz QZBPFIHCDADLCD-SCSAIBSYSA-N 0 0 235.106 2.152 10 0 BEAERN Brc1nnc(-c2ccccn2)s1 ZINC000071051343 361941586 /nfs/dbraw/zinc/94/15/86/361941586.db2.gz ROVGREBZHJHYQU-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN O[C@H](c1nnc(Cl)s1)c1ccccc1 ZINC000071050905 361941922 /nfs/dbraw/zinc/94/19/22/361941922.db2.gz MZKQRZOGEMOOTJ-ZETCQYMHSA-N 0 0 226.688 2.273 10 0 BEAERN Cc1noc2ncnc(N[C@H](C)C(C)C)c12 ZINC000193380406 539005384 /nfs/dbraw/zinc/00/53/84/539005384.db2.gz HTXGDRQEYXYHNA-SSDOTTSWSA-N 0 0 220.276 2.383 10 0 BEAERN NS(=O)(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000050349592 539010714 /nfs/dbraw/zinc/01/07/14/539010714.db2.gz GQYFPDFPCXPBHI-VXGBXAGGSA-N 0 0 239.340 2.001 10 0 BEAERN CCCCc1ccc([C@@H](C)S(N)(=O)=O)cc1 ZINC000050350592 539010724 /nfs/dbraw/zinc/01/07/24/539010724.db2.gz BVKUECJGIXQNMX-SNVBAGLBSA-N 0 0 241.356 2.379 10 0 BEAERN Cc1ccc([C@@H]2NCCc3occc32)nc1 ZINC000709938725 539027832 /nfs/dbraw/zinc/02/78/32/539027832.db2.gz NWLIWYHCXIDWCB-CYBMUJFWSA-N 0 0 214.268 2.218 10 0 BEAERN C[C@@H](Cn1ccc(=O)c(N)c1)C(C)(C)C ZINC000710767079 539028248 /nfs/dbraw/zinc/02/82/48/539028248.db2.gz JOLHIKGVKBXUIS-VIFPVBQESA-N 0 0 208.305 2.113 10 0 BEAERN C[C@@H]1CSCCN1c1nsnc1Cl ZINC000069762798 342839482 /nfs/dbraw/zinc/83/94/82/342839482.db2.gz PUGHDFGIJTVCBT-RXMQYKEDSA-N 0 0 235.765 2.133 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1CCCC(C)(C)C1 ZINC000216698268 342839931 /nfs/dbraw/zinc/83/99/31/342839931.db2.gz GYYFKAWMCKVUGD-YFHOEESVSA-N 0 0 211.305 2.139 10 0 BEAERN CC[C@]1(C2CCCC2)O[C@]1(Cl)C(=O)OC ZINC000387629787 539014205 /nfs/dbraw/zinc/01/42/05/539014205.db2.gz DZYOSMXQMMEYBA-GHMZBOCLSA-N 0 0 232.707 2.464 10 0 BEAERN Nc1c[nH]nc1-c1ccccc1Br ZINC000042415051 361999202 /nfs/dbraw/zinc/99/92/02/361999202.db2.gz LQNPUZGXAYACDO-UHFFFAOYSA-N 0 0 238.088 2.421 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1nsnc1Cl ZINC000042452305 362001440 /nfs/dbraw/zinc/00/14/40/362001440.db2.gz GZGNLFCDGKRCHZ-NKWVEPMBSA-N 0 0 247.751 2.195 10 0 BEAERN CO[C@@H](c1nnc(Cl)o1)c1ccccc1 ZINC000157740187 342846963 /nfs/dbraw/zinc/84/69/63/342846963.db2.gz TYQPKFRDCUIUAK-MRVPVSSYSA-N 0 0 224.647 2.459 10 0 BEAERN CCC[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000233273837 342853567 /nfs/dbraw/zinc/85/35/67/342853567.db2.gz BUHHPNSNMXXIHW-SNVBAGLBSA-N 0 0 243.347 2.404 10 0 BEAERN C[C@@H]1OCC[C@]1(O)c1occc1Br ZINC000134437086 342854242 /nfs/dbraw/zinc/85/42/42/342854242.db2.gz HVAKEBGVXNIRPG-IMTBSYHQSA-N 0 0 247.088 2.039 10 0 BEAERN C[C@H]1OCC[C@]1(O)CCc1cccs1 ZINC000134435144 342854339 /nfs/dbraw/zinc/85/43/39/342854339.db2.gz QVVAFOJIUAALDT-MWLCHTKSSA-N 0 0 212.314 2.221 10 0 BEAERN C[C@@H]1OCC[C@]1(O)Cc1ccc(Cl)s1 ZINC000134434887 342854352 /nfs/dbraw/zinc/85/43/52/342854352.db2.gz DPLKQYRZNFCVTN-XVKPBYJWSA-N 0 0 232.732 2.484 10 0 BEAERN CCn1c2ccccc2nc1[S@@](=N)(=O)CC ZINC000521399876 398304530 /nfs/dbraw/zinc/30/45/30/398304530.db2.gz WTIWZRMDSAYXSR-INIZCTEOSA-N 0 0 237.328 2.482 10 0 BEAERN O=C1CSC[C@H]1Cc1ccc(F)c(F)c1 ZINC000134563655 342868212 /nfs/dbraw/zinc/86/82/12/342868212.db2.gz HBUKIPQMOMZOGS-MRVPVSSYSA-N 0 0 228.263 2.439 10 0 BEAERN O=C(CC1CCCCC1)N[C@@H]1CCC[C@H](O)C1 ZINC000077102465 398306275 /nfs/dbraw/zinc/30/62/75/398306275.db2.gz NXTQHTHYWGAKMV-OLZOCXBDSA-N 0 0 239.359 2.377 10 0 BEAERN Cc1cc(N[C@H]2CCO[C@@H]2C)nc(Cl)n1 ZINC000134582672 342870530 /nfs/dbraw/zinc/87/05/30/342870530.db2.gz OEUKNNJWGKYQEK-SFYZADRCSA-N 0 0 227.695 2.028 10 0 BEAERN CCc1c[nH]c(=S)n1[C@H]1CCO[C@H]1C ZINC000134582159 342870848 /nfs/dbraw/zinc/87/08/48/342870848.db2.gz YTVFWGUNGZLKPN-CBAPKCEASA-N 0 0 212.318 2.084 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@H]1CCO[C@H]1C ZINC000134593925 342872423 /nfs/dbraw/zinc/87/24/23/342872423.db2.gz PRVIIUHHIKYRLU-YUMQZZPRSA-N 0 0 229.711 2.405 10 0 BEAERN CC(C)(C)NC(=O)CNc1nc(Cl)cs1 ZINC000165077824 342873991 /nfs/dbraw/zinc/87/39/91/342873991.db2.gz QEYFZDUYUDMVKX-UHFFFAOYSA-N 0 0 247.751 2.123 10 0 BEAERN Cc1ccc(C[C@H]2CSC[C@H]2O)cc1 ZINC000134655417 342875229 /nfs/dbraw/zinc/87/52/29/342875229.db2.gz QBVMDQPZLNNSGR-NWDGAFQWSA-N 0 0 208.326 2.261 10 0 BEAERN C[C@@H]1CN(c2nc(Cl)cs2)C[C@@H](C)O1 ZINC000165106197 342875309 /nfs/dbraw/zinc/87/53/09/342875309.db2.gz NLMCPDODBJIHEG-RNFRBKRXSA-N 0 0 232.736 2.410 10 0 BEAERN C[C@H]1OCC[C@H]1N(C)Cc1cnc(Cl)s1 ZINC000134674626 342876207 /nfs/dbraw/zinc/87/62/07/342876207.db2.gz VBTUOVCLVJKDCQ-VXNVDRBHSA-N 0 0 246.763 2.406 10 0 BEAERN O[C@@H]1CSC[C@@H]1Cc1ccccc1F ZINC000134669672 342876675 /nfs/dbraw/zinc/87/66/75/342876675.db2.gz ODSQPXQNNNLBCN-GXSJLCMTSA-N 0 0 212.289 2.092 10 0 BEAERN O[C@H](c1ncc[nH]1)c1sccc1Cl ZINC000229931485 342857222 /nfs/dbraw/zinc/85/72/22/342857222.db2.gz DVEKICAWANKZGS-LURJTMIESA-N 0 0 214.677 2.206 10 0 BEAERN NN[C@H](c1sccc1Cl)[C@@H]1CCCO1 ZINC000229966416 342859681 /nfs/dbraw/zinc/85/96/81/342859681.db2.gz NQSDPQVUHLRBAT-YUMQZZPRSA-N 0 0 232.736 2.085 10 0 BEAERN O=C(c1csnn1)c1sccc1Cl ZINC000229959300 342860226 /nfs/dbraw/zinc/86/02/26/342860226.db2.gz QHFRQWIORCENKK-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN O=C(CC1OCCO1)c1sccc1Cl ZINC000229959430 342860312 /nfs/dbraw/zinc/86/03/12/342860312.db2.gz AJJNUHXIFCZXDH-UHFFFAOYSA-N 0 0 232.688 2.347 10 0 BEAERN CCn1nccc1[C@@H]1NCC[C@H](C)S1 ZINC000164943782 342860508 /nfs/dbraw/zinc/86/05/08/342860508.db2.gz QPQHPDOYTUMLPT-WCBMZHEXSA-N 0 0 211.334 2.017 10 0 BEAERN Cc1cc2c(ccnc2N[C@@H]2CCOC2)o1 ZINC000167270219 136245356 /nfs/dbraw/zinc/24/53/56/136245356.db2.gz FXUYSWDKBWSTKV-SECBINFHSA-N 0 0 218.256 2.337 10 0 BEAERN CCNc1nc(CC)nc2c1CSC2 ZINC000134726663 342879689 /nfs/dbraw/zinc/87/96/89/342879689.db2.gz WUBTVPJBMQPJSY-UHFFFAOYSA-N 0 0 209.318 2.218 10 0 BEAERN FC(F)(F)CCc1nnc(Cl)o1 ZINC000157748793 342889683 /nfs/dbraw/zinc/88/96/83/342889683.db2.gz PNSAJDKXOIEKOY-UHFFFAOYSA-N 0 0 200.547 2.218 10 0 BEAERN Clc1c2c(nn1-c1ncccn1)CSC2 ZINC000134850599 342902138 /nfs/dbraw/zinc/90/21/38/342902138.db2.gz LICIGPOJMGYING-UHFFFAOYSA-N 0 0 238.703 2.063 10 0 BEAERN CCOC(=O)c1cc(Cl)c(N)cc1OCC ZINC000309176262 342903351 /nfs/dbraw/zinc/90/33/51/342903351.db2.gz XNPAARJCKZPRQJ-UHFFFAOYSA-N 0 0 243.690 2.498 10 0 BEAERN COC(=O)NC1(c2ccc(N)cc2)CCC1 ZINC000216786849 342922920 /nfs/dbraw/zinc/92/29/20/342922920.db2.gz MEBUEPWGLALDOL-UHFFFAOYSA-N 0 0 220.272 2.004 10 0 BEAERN CC[C@H](C)C(=O)Nc1cccc(C=O)c1 ZINC000233997192 342924079 /nfs/dbraw/zinc/92/40/79/342924079.db2.gz ONXLIMKCWGPAGN-VIFPVBQESA-N 0 0 205.257 2.484 10 0 BEAERN CCOC(=O)C(C)(C)Oc1cc(O)ccc1C ZINC000116493740 342927650 /nfs/dbraw/zinc/92/76/50/342927650.db2.gz VSJNWNFSYITYGH-UHFFFAOYSA-N 0 0 238.283 2.421 10 0 BEAERN CC[C@@H]1OCC[C@H]1c1nc(Cl)no1 ZINC000233968942 342914575 /nfs/dbraw/zinc/91/45/75/342914575.db2.gz QHPMRJYEJDOAMK-RITPCOANSA-N 0 0 202.641 2.006 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)c(Cl)nn1 ZINC000575433950 398327752 /nfs/dbraw/zinc/32/77/52/398327752.db2.gz ZGLYREDNFNPWGV-UHFFFAOYSA-N 0 0 224.569 2.351 10 0 BEAERN Cc1cccc([C@@](C)(O)c2ncc[nH]2)c1C ZINC000116557255 342928664 /nfs/dbraw/zinc/92/86/64/342928664.db2.gz WJLSMUITHOBMGM-CYBMUJFWSA-N 0 0 216.284 2.282 10 0 BEAERN Cc1nc([C@H](NN)c2ccsc2)cs1 ZINC000157297993 344012110 /nfs/dbraw/zinc/01/21/10/344012110.db2.gz HEGJRURNKUHNAD-SECBINFHSA-N 0 0 225.342 2.066 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000133684547 178466714 /nfs/dbraw/zinc/46/67/14/178466714.db2.gz UMQOQNZJOXZUDV-RYUDHWBXSA-N 0 0 235.327 2.050 10 0 BEAERN COC(=O)c1cc2ncc(Cl)nc2s1 ZINC000116879726 342938389 /nfs/dbraw/zinc/93/83/89/342938389.db2.gz ZKKNDOFTBNFIED-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN COC(=O)c1nc2ccccc2nc1Cl ZINC000166143478 398334147 /nfs/dbraw/zinc/33/41/47/398334147.db2.gz QFZXTADYQKCLEO-UHFFFAOYSA-N 0 0 222.631 2.070 10 0 BEAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCC1(C)CCC1 ZINC000133104007 398341295 /nfs/dbraw/zinc/34/12/95/398341295.db2.gz YRULICMFGDJPOM-VIFPVBQESA-N 0 0 249.358 2.436 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1OCCc2ccccc21 ZINC000136573033 398342771 /nfs/dbraw/zinc/34/27/71/398342771.db2.gz PTOGCZZKTLGSJF-FZMZJTMJSA-N 0 0 247.338 2.461 10 0 BEAERN c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)nc1 ZINC000301409637 187206170 /nfs/dbraw/zinc/20/61/70/187206170.db2.gz JHFRMEQKULZWKH-VXGBXAGGSA-N 0 0 200.285 2.484 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1C[C@H]1C ZINC000246934209 342959868 /nfs/dbraw/zinc/95/98/68/342959868.db2.gz MTZPLHASNSZGLO-YRGRVCCFSA-N 0 0 247.338 2.364 10 0 BEAERN OCc1ccc2c(c1)ncn2[C@H]1CCCCO1 ZINC000117291987 342962922 /nfs/dbraw/zinc/96/29/22/342962922.db2.gz SXMSPTVJRGTDFT-CYBMUJFWSA-N 0 0 232.283 2.228 10 0 BEAERN C[C@@H](O)c1ccc(Oc2ncccn2)cc1 ZINC000040542952 342973165 /nfs/dbraw/zinc/97/31/65/342973165.db2.gz HZVQUXPDSVPYTI-SECBINFHSA-N 0 0 216.240 2.322 10 0 BEAERN CC[C@@H](NO)c1ccc(OC)cc1OC ZINC000308746227 346908620 /nfs/dbraw/zinc/90/86/20/346908620.db2.gz BYZFHNDULRNDDJ-SNVBAGLBSA-N 0 0 211.261 2.134 10 0 BEAERN CCCc1cc(I)ncn1 ZINC000167723427 346910888 /nfs/dbraw/zinc/91/08/88/346910888.db2.gz SVJVPHCLXTWQBB-UHFFFAOYSA-N 0 0 248.067 2.034 10 0 BEAERN COP(=O)(CC1=CC(=O)CCC1)OC ZINC000036426700 342997594 /nfs/dbraw/zinc/99/75/94/342997594.db2.gz HRQUFYRKUSDVER-UHFFFAOYSA-N 0 0 218.189 2.152 10 0 BEAERN O=Cc1ccc2[nH]nc(-c3cccnc3)c2c1 ZINC000117479565 342997688 /nfs/dbraw/zinc/99/76/88/342997688.db2.gz CHVYTAZCPUAVJF-UHFFFAOYSA-N 0 0 223.235 2.437 10 0 BEAERN CC[C@H](C)Oc1cc(N)cc(Cl)n1 ZINC000234018954 343002485 /nfs/dbraw/zinc/00/24/85/343002485.db2.gz DTNUGRWWPIFAAK-LURJTMIESA-N 0 0 200.669 2.495 10 0 BEAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1CCCO ZINC000360951050 187217150 /nfs/dbraw/zinc/21/71/50/187217150.db2.gz JREGMCLBIACRLU-OLZOCXBDSA-N 0 0 241.375 2.432 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000360561803 187217232 /nfs/dbraw/zinc/21/72/32/187217232.db2.gz PKDQSYGCQBKXAD-AVGNSLFASA-N 0 0 241.375 2.478 10 0 BEAERN COC(=O)c1ccc[nH]c1=NOC(C)(C)C ZINC000117817921 343017812 /nfs/dbraw/zinc/01/78/12/343017812.db2.gz FRNDCWTWMFNLJI-UHFFFAOYSA-N 0 0 224.260 2.010 10 0 BEAERN O=C1CCC[C@H](Nc2nc(Cl)ncc2F)C1 ZINC000118095310 343040036 /nfs/dbraw/zinc/04/00/36/343040036.db2.gz LJRLRNXRNRPCJZ-LURJTMIESA-N 0 0 243.669 2.193 10 0 BEAERN O[C@H](c1ccncc1Cl)C1CCOCC1 ZINC000118887891 343059666 /nfs/dbraw/zinc/05/96/66/343059666.db2.gz GGURTCNQWRYDKR-NSHDSACASA-N 0 0 227.691 2.195 10 0 BEAERN O=S(=O)(c1ccnc(Cl)c1)C(F)(F)F ZINC000584881367 343082317 /nfs/dbraw/zinc/08/23/17/343082317.db2.gz QVBPZLCXUVJOLJ-UHFFFAOYSA-N 0 0 245.609 2.029 10 0 BEAERN CC[C@@H](C)n1ncc2c1ncc(N)c2NC ZINC000584881780 343082874 /nfs/dbraw/zinc/08/28/74/343082874.db2.gz AQNPXNMUPXIQDA-SSDOTTSWSA-N 0 0 219.292 2.026 10 0 BEAERN CNc1c(N)cnc2c(Cl)cc(F)c(C)c21 ZINC000584881862 343083191 /nfs/dbraw/zinc/08/31/91/343083191.db2.gz FSJMHDMTOPRKAH-UHFFFAOYSA-N 0 0 239.681 2.382 10 0 BEAERN S=C1N=NC(c2csc(Cl)c2)N1 ZINC000306668590 362025034 /nfs/dbraw/zinc/02/50/34/362025034.db2.gz KOANINWNOUXQMO-UHFFFAOYSA-N 0 0 217.706 2.475 10 0 BEAERN CNc1c(N)cnc2cc(F)c(Cl)cc21 ZINC000584882303 343084620 /nfs/dbraw/zinc/08/46/20/343084620.db2.gz AWCMQROZVXMPLZ-UHFFFAOYSA-N 0 0 225.654 2.073 10 0 BEAERN COc1ccc(Cl)c2ncc(N)cc12 ZINC000584882397 343084778 /nfs/dbraw/zinc/08/47/78/343084778.db2.gz FZBRIFGCKOKIIV-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN CCNc1c(N)cnc2c(OC)cc(OC)cc21 ZINC000584882826 343085528 /nfs/dbraw/zinc/08/55/28/343085528.db2.gz UWRLVUZWHZWJRJ-UHFFFAOYSA-N 0 0 247.298 2.266 10 0 BEAERN CC(C)(C)OC(=O)c1cc(N)cnc1C1CC1 ZINC000584883497 343086272 /nfs/dbraw/zinc/08/62/72/343086272.db2.gz QEYCOWXBPWRUMB-UHFFFAOYSA-N 0 0 234.299 2.497 10 0 BEAERN CCOC(=O)[C@@]1(C)N[C@@H](C)Cc2ccsc21 ZINC000584883796 343087091 /nfs/dbraw/zinc/08/70/91/343087091.db2.gz JVUNLQOUBXKWEJ-UFBFGSQYSA-N 0 0 239.340 2.061 10 0 BEAERN CC[C@]1(C(=O)OC)N[C@@H](C)Cc2ccsc21 ZINC000584883891 343087143 /nfs/dbraw/zinc/08/71/43/343087143.db2.gz VVGIFFHRQLQPIK-UFBFGSQYSA-N 0 0 239.340 2.061 10 0 BEAERN COc1ncc(C(=O)c2coc(C)c2)s1 ZINC000306670088 362032352 /nfs/dbraw/zinc/03/23/52/362032352.db2.gz LLVKDFOIBLRDTR-UHFFFAOYSA-N 0 0 223.253 2.284 10 0 BEAERN C[C@@H]1CCCC[C@H]1CNC(=O)n1ccnc1 ZINC000042866409 362034271 /nfs/dbraw/zinc/03/42/71/362034271.db2.gz ONMULJJWDJXZAM-MNOVXSKESA-N 0 0 221.304 2.267 10 0 BEAERN C[C@H]1CCCC[C@@H]1CNC(=O)n1ccnc1 ZINC000042866406 362034492 /nfs/dbraw/zinc/03/44/92/362034492.db2.gz ONMULJJWDJXZAM-WDEREUQCSA-N 0 0 221.304 2.267 10 0 BEAERN CC(C)C(=O)N1CC[C@H](O)c2ccccc21 ZINC000062552453 343074456 /nfs/dbraw/zinc/07/44/56/343074456.db2.gz ZCEGJPPHZGJVCD-LBPRGKRZSA-N 0 0 219.284 2.113 10 0 BEAERN CCCN(CC)c1ccc([C@@H](C)O)cn1 ZINC000124904436 343075376 /nfs/dbraw/zinc/07/53/76/343075376.db2.gz LUZXWXOSXRRDSS-SNVBAGLBSA-N 0 0 208.305 2.371 10 0 BEAERN COC(=O)c1noc2cc(Cl)ccc21 ZINC000145271270 343075881 /nfs/dbraw/zinc/07/58/81/343075881.db2.gz UKLGYWIRNBTQSB-UHFFFAOYSA-N 0 0 211.604 2.268 10 0 BEAERN COc1cccc2c1NC(=O)CCS2 ZINC000162408616 343075936 /nfs/dbraw/zinc/07/59/36/343075936.db2.gz HAMMCTRIFKLKRE-UHFFFAOYSA-N 0 0 209.270 2.130 10 0 BEAERN CC(C)CC(=O)Nc1cccc(C=O)c1 ZINC000232557345 343076628 /nfs/dbraw/zinc/07/66/28/343076628.db2.gz SFAVWGBQFXCSDZ-UHFFFAOYSA-N 0 0 205.257 2.484 10 0 BEAERN Fc1cc(N2CN=NC2=S)ccc1Cl ZINC000042581332 362010176 /nfs/dbraw/zinc/01/01/76/362010176.db2.gz CENNIBUQOINTPZ-UHFFFAOYSA-N 0 0 229.667 2.349 10 0 BEAERN Cc1ccc(CCCC(=O)N[C@@H](C)CCO)cc1 ZINC000123677724 187231645 /nfs/dbraw/zinc/23/16/45/187231645.db2.gz LUUVYMSYQIVLGV-ZDUSSCGKSA-N 0 0 249.354 2.205 10 0 BEAERN CCSC(=O)OCOC(=O)C(C)C ZINC000141819835 343099971 /nfs/dbraw/zinc/09/99/71/343099971.db2.gz LXIKURLOXGRNEU-UHFFFAOYSA-N 0 0 206.263 2.033 10 0 BEAERN CCOC(OCC)C(=O)Cc1ccccc1F ZINC000043504006 343101247 /nfs/dbraw/zinc/10/12/47/343101247.db2.gz RMGNTOMGMDWTSA-UHFFFAOYSA-N 0 0 240.274 2.336 10 0 BEAERN O=c1[nH]c(-c2ccc(F)cc2)nc2c1CCCC2 ZINC000042404075 187231850 /nfs/dbraw/zinc/23/18/50/187231850.db2.gz SHJRSUMAMWOFKI-UHFFFAOYSA-N 0 0 244.269 2.455 10 0 BEAERN COCC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000043504951 343101461 /nfs/dbraw/zinc/10/14/61/343101461.db2.gz ONBYVGAODWIXKJ-UHFFFAOYSA-N 0 0 240.127 2.211 10 0 BEAERN COCC(=O)c1cc(F)cc(Cl)c1 ZINC000043504738 343101639 /nfs/dbraw/zinc/10/16/39/343101639.db2.gz WRLAVQNQSUZPEW-UHFFFAOYSA-N 0 0 202.612 2.308 10 0 BEAERN CC(C)(C)[C@@H](O)Cn1cnc2ccccc21 ZINC000044181706 187232115 /nfs/dbraw/zinc/23/21/15/187232115.db2.gz UFLJTPNVNIXCCK-LBPRGKRZSA-N 0 0 218.300 2.443 10 0 BEAERN O=C1CCC2=C(CCc3ccc(F)cc32)N1 ZINC000013861368 343107049 /nfs/dbraw/zinc/10/70/49/343107049.db2.gz QLMDBKUXHJJGIC-UHFFFAOYSA-N 0 0 217.243 2.393 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)C(C)(C)C(C)(C)C ZINC000640805827 362053859 /nfs/dbraw/zinc/05/38/59/362053859.db2.gz SWKGLXKVTFIRKY-GHMZBOCLSA-N 0 0 241.375 2.431 10 0 BEAERN Cc1ccc(C)c(O[C@H](C)C(N)=S)c1 ZINC000041218961 178491995 /nfs/dbraw/zinc/49/19/95/178491995.db2.gz VPLGKNDVRNFLCO-SECBINFHSA-N 0 0 209.314 2.357 10 0 BEAERN CC(=O)c1c[nH]c(NC2CCCCC2)n1 ZINC000196456391 187234069 /nfs/dbraw/zinc/23/40/69/187234069.db2.gz AFANMFBDGRMPGD-UHFFFAOYSA-N 0 0 207.277 2.357 10 0 BEAERN CC1(C)C(=O)N[C@@H]1CCc1ccccc1 ZINC000038951389 343111557 /nfs/dbraw/zinc/11/15/57/343111557.db2.gz HCVKIJMGMIDCSD-LLVKDONJSA-N 0 0 203.285 2.144 10 0 BEAERN CCOC(=O)c1c(C=O)occ1C(F)(F)F ZINC000142768775 343112727 /nfs/dbraw/zinc/11/27/27/343112727.db2.gz GYQKEAMMMQZNJC-UHFFFAOYSA-N 0 0 236.145 2.288 10 0 BEAERN C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(N)=S ZINC000043515221 343116855 /nfs/dbraw/zinc/11/68/55/343116855.db2.gz LUNIMLRNWIBNTC-HRDYMLBCSA-N 0 0 201.335 2.256 10 0 BEAERN Cc1nc([C@H](C)Nc2ncccn2)cs1 ZINC000170543363 136270266 /nfs/dbraw/zinc/27/02/66/136270266.db2.gz IKGGBUCPAIACPJ-ZETCQYMHSA-N 0 0 220.301 2.415 10 0 BEAERN Cc1ccc(C)c([C@@](C)(O)c2cncnc2)c1 ZINC000052887610 178499448 /nfs/dbraw/zinc/49/94/48/178499448.db2.gz RYOBSKXMRCSYBH-AWEZNQCLSA-N 0 0 228.295 2.349 10 0 BEAERN CC[C@@H](O)c1scnc1Br ZINC000233913076 343129113 /nfs/dbraw/zinc/12/91/13/343129113.db2.gz IEVCECZFOVCNJD-SCSAIBSYSA-N 0 0 222.107 2.349 10 0 BEAERN Clc1nccnc1Sc1nncs1 ZINC000043538470 343132167 /nfs/dbraw/zinc/13/21/67/343132167.db2.gz HJEAEIZFQNZSFE-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN CC[C@@H]1CCCC[C@H]1[C@@H](O)C(C)(C)O ZINC000233922152 343132987 /nfs/dbraw/zinc/13/29/87/343132987.db2.gz IOETYWYCJVNEJD-GMTAPVOTSA-N 0 0 200.322 2.335 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nsnc1Cl ZINC000233922106 343133089 /nfs/dbraw/zinc/13/30/89/343133089.db2.gz RINBFDFLGACHCY-UHNVWZDZSA-N 0 0 203.698 2.402 10 0 BEAERN COc1ccc(-c2c(C)cn[nH]c2=O)c(C)c1 ZINC000144641613 343136954 /nfs/dbraw/zinc/13/69/54/343136954.db2.gz WWDDPRGCVVBBFC-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN CC[C@@H]1CC(=O)c2ccc(OC)cc2O1 ZINC000126589257 343170637 /nfs/dbraw/zinc/17/06/37/343170637.db2.gz OKUMMYGTLRPDST-MRVPVSSYSA-N 0 0 206.241 2.439 10 0 BEAERN Nc1ccc(C(=O)NCc2ccccc2)c(F)c1 ZINC000043570562 343197517 /nfs/dbraw/zinc/19/75/17/343197517.db2.gz NHMZFFPZXOZEDV-UHFFFAOYSA-N 0 0 244.269 2.338 10 0 BEAERN COc1ccc2c(c1)O[C@H]([C@H]1CCCO1)CC2=O ZINC000164968639 343208290 /nfs/dbraw/zinc/20/82/90/343208290.db2.gz ZSDRPJOMLRMERL-OCCSQVGLSA-N 0 0 248.278 2.208 10 0 BEAERN O=C([O-])CC[NH2+]CCCCc1ccccc1 ZINC000135865818 343192492 /nfs/dbraw/zinc/19/24/92/343192492.db2.gz NNXSRTJNWKLGPI-UHFFFAOYSA-N 0 0 221.300 2.074 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)C(C)(C)O ZINC000393591263 259357291 /nfs/dbraw/zinc/35/72/91/259357291.db2.gz QRXVHMQXAWUNOG-MNOVXSKESA-N 0 0 241.375 2.336 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCC(C)(C)C(C)(C)O ZINC000393591268 259357309 /nfs/dbraw/zinc/35/73/09/259357309.db2.gz QRXVHMQXAWUNOG-WDEREUQCSA-N 0 0 241.375 2.336 10 0 BEAERN CCCC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162577684 136277491 /nfs/dbraw/zinc/27/74/91/136277491.db2.gz OTHIFCGYRCOGHL-UHFFFAOYSA-N 0 0 249.358 2.001 10 0 BEAERN Cc1[nH]c2cc(C(=O)N(C)C)ccc2c1C ZINC000238317331 343255419 /nfs/dbraw/zinc/25/54/19/343255419.db2.gz SQFOFJNCBFARCT-UHFFFAOYSA-N 0 0 216.284 2.487 10 0 BEAERN CCCNC(=O)[C@@H]1Cc2ccccc2[C@@H]1C ZINC000238243115 343252533 /nfs/dbraw/zinc/25/25/33/343252533.db2.gz LYRLXNUZIGXUFO-GXFFZTMASA-N 0 0 217.312 2.489 10 0 BEAERN CCCNC(=O)[C@H]1Cc2ccccc2[C@H]1C ZINC000238245974 343252943 /nfs/dbraw/zinc/25/29/43/343252943.db2.gz LYRLXNUZIGXUFO-MFKMUULPSA-N 0 0 217.312 2.489 10 0 BEAERN CCCCNC(=O)N1OC12CCCCC2 ZINC000238229224 343252972 /nfs/dbraw/zinc/25/29/72/343252972.db2.gz ZQKVTGZGHWVUFP-UHFFFAOYSA-N 0 0 212.293 2.404 10 0 BEAERN CCCNC(=O)[C@H]1Cc2ccccc2[C@@H]1C ZINC000238245959 343253036 /nfs/dbraw/zinc/25/30/36/343253036.db2.gz LYRLXNUZIGXUFO-GWCFXTLKSA-N 0 0 217.312 2.489 10 0 BEAERN CCO[C@H](C)OC[C@H](C)O[C@@H](C)OCC ZINC000033839264 343262156 /nfs/dbraw/zinc/26/21/56/343262156.db2.gz TZVJNJVDGXFMCF-DCAQKATOSA-N 0 0 220.309 2.173 10 0 endogenous,in-man BEAERN CCCCCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N1 ZINC000033986530 343263218 /nfs/dbraw/zinc/26/32/18/343263218.db2.gz MVSOKKKPBUGRQS-QWRGUYRKSA-N 0 0 241.331 2.167 10 0 BEAERN O=C1Cc2cccnc2N1c1ccccc1 ZINC000034421416 343270681 /nfs/dbraw/zinc/27/06/81/343270681.db2.gz ZMHCFHQIMLSPIA-UHFFFAOYSA-N 0 0 210.236 2.302 10 0 BEAERN Cc1cc(C)nc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000035216628 343289984 /nfs/dbraw/zinc/28/99/84/343289984.db2.gz YPENGMHRMKPHEB-GHMZBOCLSA-N 0 0 221.304 2.073 10 0 BEAERN COC(=O)C(=O)c1ccc(Cl)cc1Cl ZINC000034566885 343275102 /nfs/dbraw/zinc/27/51/02/343275102.db2.gz TYUCVJLUZQUBMA-UHFFFAOYSA-N 0 0 233.050 2.349 10 0 BEAERN CCOC(=O)C(=O)CCCc1ccccc1 ZINC000034632965 343276345 /nfs/dbraw/zinc/27/63/45/343276345.db2.gz MJCZYRJTANZIEI-UHFFFAOYSA-N 0 0 220.268 2.142 10 0 BEAERN CC(=O)CC(=O)Nc1cccc2ncccc21 ZINC000019411870 187251752 /nfs/dbraw/zinc/25/17/52/187251752.db2.gz SMKNNCBNPMHJNV-UHFFFAOYSA-N 0 0 228.251 2.152 10 0 BEAERN CC(=O)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000019410035 187251813 /nfs/dbraw/zinc/25/18/13/187251813.db2.gz QFKDBHNKKDCEEI-UHFFFAOYSA-N 0 0 243.209 2.206 10 0 BEAERN Fc1ccc(F)c(NCc2csnn2)c1 ZINC000036901871 343326921 /nfs/dbraw/zinc/32/69/21/343326921.db2.gz NORXCWYNGGMEEY-UHFFFAOYSA-N 0 0 227.239 2.428 10 0 BEAERN CC(=O)Nc1cccc(NC[C@@H]2CCOC2)c1 ZINC000019917324 187253331 /nfs/dbraw/zinc/25/33/31/187253331.db2.gz FIWYDYNYEWFQAJ-NSHDSACASA-N 0 0 234.299 2.093 10 0 BEAERN COC(=O)C(=O)c1cc(C)c(F)cc1Cl ZINC000165424483 343310612 /nfs/dbraw/zinc/31/06/12/343310612.db2.gz PTINWUKXORAXJM-UHFFFAOYSA-N 0 0 230.622 2.143 10 0 BEAERN COC(=O)C(=O)c1cc(C)c(Cl)cc1C ZINC000165422900 343311726 /nfs/dbraw/zinc/31/17/26/343311726.db2.gz QJCBYWUUSCQABE-UHFFFAOYSA-N 0 0 226.659 2.313 10 0 BEAERN Cc1cccc(CNc2nccnc2C)n1 ZINC000214348779 343315301 /nfs/dbraw/zinc/31/53/01/343315301.db2.gz GDLLDIHRUWSRFP-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN CCOCC(=O)NC1CCC(CC)CC1 ZINC000070251049 343315807 /nfs/dbraw/zinc/31/58/07/343315807.db2.gz JLHAMKCLHAJBNQ-UHFFFAOYSA-N 0 0 213.321 2.108 10 0 BEAERN O[C@H]1CSCc2cc(F)cc(F)c21 ZINC000097922619 343367046 /nfs/dbraw/zinc/36/70/46/343367046.db2.gz DVZWYWWBYJNERD-QMMMGPOBSA-N 0 0 202.225 2.245 10 0 BEAERN Cc1cnccc1[C@H]1[NH2+]CCc2cc(O)ccc21 ZINC000038805227 343379571 /nfs/dbraw/zinc/37/95/71/343379571.db2.gz OOJUAVZVMJFJJV-OAHLLOKOSA-N 0 0 240.306 2.331 10 0 BEAERN O=C(CCSCCO)c1ccc(F)cc1 ZINC000037331028 343343351 /nfs/dbraw/zinc/34/33/51/343343351.db2.gz PIPIRERMBOMOFS-UHFFFAOYSA-N 0 0 228.288 2.124 10 0 BEAERN Cc1cc(=O)[nH]c(-c2ccccc2Cl)n1 ZINC000037409058 343344701 /nfs/dbraw/zinc/34/47/01/343344701.db2.gz BRQYKFNBKHMTNU-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN Nc1c(F)cccc1Sc1nncs1 ZINC000037420640 343345066 /nfs/dbraw/zinc/34/50/66/343345066.db2.gz UINJTDPMUTUTDM-UHFFFAOYSA-N 0 0 227.289 2.411 10 0 BEAERN C[C@H]1CCc2nc(N)nc(C(F)(F)F)c2C1 ZINC000309371158 343346615 /nfs/dbraw/zinc/34/66/15/343346615.db2.gz DZTNVHSOVLQLFU-YFKPBYRVSA-N 0 0 231.221 2.202 10 0 BEAERN CC(C)[C@H](C)Nc1cc2c(cc1N)OCC(=O)N2 ZINC000035452975 187257968 /nfs/dbraw/zinc/25/79/68/187257968.db2.gz BAICXURIZQFFBN-QMMMGPOBSA-N 0 0 249.314 2.056 10 0 BEAERN Nc1cnc2scc(-c3ccco3)n12 ZINC000036286306 187258625 /nfs/dbraw/zinc/25/86/25/187258625.db2.gz VDLSONOCKUDVKW-UHFFFAOYSA-N 0 0 205.242 2.238 10 0 BEAERN COc1ccc([C@H](N)c2noc(C3CC3)n2)cc1 ZINC000036764433 187259387 /nfs/dbraw/zinc/25/93/87/187259387.db2.gz ISAZSDZJPJWUPU-NSHDSACASA-N 0 0 245.282 2.004 10 0 BEAERN COc1ccc([C@@H](N)c2noc(C3CC3)n2)cc1 ZINC000036764435 187259410 /nfs/dbraw/zinc/25/94/10/187259410.db2.gz ISAZSDZJPJWUPU-LLVKDONJSA-N 0 0 245.282 2.004 10 0 BEAERN CC(C)=CC[NH2+][C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070502163 187259549 /nfs/dbraw/zinc/25/95/49/187259549.db2.gz JWZBTCJRJGCVIY-QWRGUYRKSA-N 0 0 211.305 2.186 10 0 BEAERN CC(C)[C@H](C)Nc1cc(C(N)=O)ccc1F ZINC000037013343 187259640 /nfs/dbraw/zinc/25/96/40/187259640.db2.gz DMOXUCYOMFTXIT-QMMMGPOBSA-N 0 0 224.279 2.381 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOCC12CCC2 ZINC000335672213 136313504 /nfs/dbraw/zinc/31/35/04/136313504.db2.gz GKLLCZWPJVJRMW-NEPJUHHUSA-N 0 0 237.343 2.204 10 0 BEAERN Cc1cc(N(C)Cc2cccc(N)c2)nc(C)n1 ZINC000037756902 187260158 /nfs/dbraw/zinc/26/01/58/187260158.db2.gz LHXHACBZDDAVGU-UHFFFAOYSA-N 0 0 242.326 2.312 10 0 BEAERN CCn1ncc(-c2ccoc2C=O)c1C ZINC000234248407 343380332 /nfs/dbraw/zinc/38/03/32/343380332.db2.gz LPBISWOABILMCJ-UHFFFAOYSA-N 0 0 204.229 2.284 10 0 BEAERN O=C1[C@H]2C[C@H](F)[C@H](C2)N1Cc1ccccc1 ZINC000038997555 343380828 /nfs/dbraw/zinc/38/08/28/343380828.db2.gz PXKGMGGWQXYVQV-SRVKXCTJSA-N 0 0 219.259 2.146 10 0 BEAERN CCOc1ccc(N)c2c1CCCC2=O ZINC000039099376 343383131 /nfs/dbraw/zinc/38/31/31/343383131.db2.gz QUPRZFMDNRFNCC-UHFFFAOYSA-N 0 0 205.257 2.187 10 0 BEAERN CCOc1cc(OCC)nc(C2CC2)n1 ZINC000039099560 343383219 /nfs/dbraw/zinc/38/32/19/343383219.db2.gz KLSJYXCKHHMSFE-UHFFFAOYSA-N 0 0 208.261 2.151 10 0 BEAERN CCOc1cc2c(c(NC)c1)C[C@@H](C)O2 ZINC000039099485 343383281 /nfs/dbraw/zinc/38/32/81/343383281.db2.gz SJQHFLQOHFSEAJ-MRVPVSSYSA-N 0 0 207.273 2.450 10 0 BEAERN CCOc1cc(CC)sc1C(=O)OC ZINC000039100084 343383654 /nfs/dbraw/zinc/38/36/54/343383654.db2.gz SDJYLBDKHUJKTF-UHFFFAOYSA-N 0 0 214.286 2.496 10 0 BEAERN CCOc1cc(=O)c2ccc(OC)cc2[nH]1 ZINC000039100540 343383983 /nfs/dbraw/zinc/38/39/83/343383983.db2.gz NOIRLSYPTJNDOK-UHFFFAOYSA-N 0 0 219.240 2.348 10 0 BEAERN CCC1=C2N=c3sc(C)nc3=C2[C@@H](C)C=C1 ZINC000039102946 343384363 /nfs/dbraw/zinc/38/43/63/343384363.db2.gz WZELXDLOIOMGFR-ZETCQYMHSA-N 0 0 230.336 2.105 10 0 BEAERN Cc1ncc(-c2ncc(C)cc2C)n1C ZINC000039105047 343384881 /nfs/dbraw/zinc/38/48/81/343384881.db2.gz GBCRAPOQBDMMIS-UHFFFAOYSA-N 0 0 201.273 2.407 10 0 BEAERN CCOc1cc(C=O)c(O)c(OCC)c1C ZINC000039110752 343385462 /nfs/dbraw/zinc/38/54/62/343385462.db2.gz GWLRLJUKHLKJNF-UHFFFAOYSA-N 0 0 224.256 2.311 10 0 BEAERN COc1cc2c(c(OC)c1)[C@@H]1C=CO[C@@H]1O2 ZINC000039149979 343386233 /nfs/dbraw/zinc/38/62/33/343386233.db2.gz KEFXQTPQVMBKRL-QPUJVOFHSA-N 0 0 220.224 2.050 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1O[C@H]1c1ccccc1 ZINC000039278673 343387747 /nfs/dbraw/zinc/38/77/47/343387747.db2.gz LKKOTPSFKLPCQF-QWRGUYRKSA-N 0 0 220.268 2.468 10 0 BEAERN C=CC(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000037789991 187261315 /nfs/dbraw/zinc/26/13/15/187261315.db2.gz IRWISVUQKDTBCC-UHFFFAOYSA-N 0 0 227.267 2.056 10 0 BEAERN C[C@@H](Nc1cccc(F)n1)[C@H]1CCCO1 ZINC000040712115 343408488 /nfs/dbraw/zinc/40/84/88/343408488.db2.gz PHLFDFHPFVWECG-RKDXNWHRSA-N 0 0 210.252 2.200 10 0 BEAERN O=c1cn[nH]c2ccc(C(F)(F)F)cc12 ZINC000148951692 343415318 /nfs/dbraw/zinc/41/53/18/343415318.db2.gz XNPHXDISDARIEN-UHFFFAOYSA-N 0 0 214.146 2.354 10 0 BEAERN CCCC(=O)Nc1ccc2nc(C)cn2c1 ZINC000041304751 343418472 /nfs/dbraw/zinc/41/84/72/343418472.db2.gz PAJUEGMZIXWUGM-UHFFFAOYSA-N 0 0 217.272 2.381 10 0 BEAERN COC(=O)c1cc2ncccc2c(Cl)c1N ZINC000202303673 343421735 /nfs/dbraw/zinc/42/17/35/343421735.db2.gz AZOXSNNCQNSRSE-UHFFFAOYSA-N 0 0 236.658 2.257 10 0 BEAERN O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCC12CCCC2 ZINC000335716274 136339525 /nfs/dbraw/zinc/33/95/25/136339525.db2.gz LZDKLJHWUZLBLA-WDEREUQCSA-N 0 0 248.326 2.136 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nsnc1Cl ZINC000234140292 343448213 /nfs/dbraw/zinc/44/82/13/343448213.db2.gz RINBFDFLGACHCY-CRCLSJGQSA-N 0 0 203.698 2.402 10 0 BEAERN Cc1nsc(C)c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000335897108 136359069 /nfs/dbraw/zinc/35/90/69/136359069.db2.gz LIUWDVRSLJDRCU-ZJUUUORDSA-N 0 0 236.340 2.384 10 0 BEAERN N#C[C@H](NCc1ccccc1)[C@@H]1CCCCO1 ZINC000149826882 343455132 /nfs/dbraw/zinc/45/51/32/343455132.db2.gz MLWXFRGPXWBEQL-KBPBESRZSA-N 0 0 230.311 2.237 10 0 BEAERN C[C@H](NC(N)=S)c1ccc(Cl)s1 ZINC000042590632 343444997 /nfs/dbraw/zinc/44/49/97/343444997.db2.gz GRXAEBKMAHYBAI-BYPYZUCNSA-N 0 0 220.750 2.296 10 0 BEAERN Nc1nc(-c2cccs2)cn2ccnc12 ZINC000044120737 343491678 /nfs/dbraw/zinc/49/16/78/343491678.db2.gz CIXRYQKKTAPTCM-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CCc1nsc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000083653126 343494257 /nfs/dbraw/zinc/49/42/57/343494257.db2.gz YPGJOTWKVKNQPA-SFYZADRCSA-N 0 0 227.333 2.080 10 0 BEAERN C[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCOCC1 ZINC000150154137 343469968 /nfs/dbraw/zinc/46/99/68/343469968.db2.gz KPJZLIJJCUHHGC-RISCZKNCSA-N 0 0 217.312 2.047 10 0 BEAERN CCOC(=O)c1cc(C2CC2)nc(C2CC2)n1 ZINC000261126467 349814476 /nfs/dbraw/zinc/81/44/76/349814476.db2.gz KTDHSMVCOWQWHJ-UHFFFAOYSA-N 0 0 232.283 2.408 10 0 BEAERN Nc1ccccc1-c1noc(C2CC2)n1 ZINC000044732144 343512929 /nfs/dbraw/zinc/51/29/29/343512929.db2.gz JKQNHXNRSWQPHW-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN CC(C)C[C@H](O)c1ccc2c(c1)CC(=O)N2C ZINC000040256752 187262919 /nfs/dbraw/zinc/26/29/19/187262919.db2.gz RDORFQYYOJLDDD-ZDUSSCGKSA-N 0 0 233.311 2.285 10 0 BEAERN COC(=O)Nc1ccc2nc(N)sc2c1 ZINC000045236923 343526583 /nfs/dbraw/zinc/52/65/83/343526583.db2.gz NJBCGNISCBBUIY-UHFFFAOYSA-N 0 0 223.257 2.057 10 0 BEAERN COC(=O)N1CCCC[C@@H](OC(F)(F)F)C1 ZINC000616655472 343531517 /nfs/dbraw/zinc/53/15/17/343531517.db2.gz WYRVKQMHVGJRAU-SSDOTTSWSA-N 0 0 241.209 2.144 10 0 BEAERN CNc1ccccc1[C@@H]1CCN(C(C)=O)CCO1 ZINC000616665671 343533329 /nfs/dbraw/zinc/53/33/29/343533329.db2.gz RJKVJWXKBDQMRO-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CCN1CCc2ccccc2[C@H]1c1ncccn1 ZINC000616678680 343536558 /nfs/dbraw/zinc/53/65/58/343536558.db2.gz BACHKSVIEXSECH-AWEZNQCLSA-N 0 0 239.322 2.444 10 0 BEAERN C[C@H]1SCC[C@]1(O)C(F)(F)Br ZINC000235674335 344034258 /nfs/dbraw/zinc/03/42/58/344034258.db2.gz YGVUKWBSEVHBSY-RFZPGFLSSA-N 0 0 247.104 2.231 10 0 BEAERN CC(C)(C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000047832895 343566298 /nfs/dbraw/zinc/56/62/98/343566298.db2.gz CKNQUCNSEPYMLH-UHFFFAOYSA-N 0 0 244.294 2.056 10 0 BEAERN CC(C)(C)[S@](=O)Cc1ccccc1N ZINC000040966517 187264794 /nfs/dbraw/zinc/26/47/94/187264794.db2.gz WHWJJSBUQMFJHZ-AWEZNQCLSA-N 0 0 211.330 2.316 10 0 BEAERN CC(=O)c1c[nH]c(-c2ccc3c(c2)OCO3)n1 ZINC000041252188 187265139 /nfs/dbraw/zinc/26/51/39/187265139.db2.gz YJKWBNHOMPJDQQ-UHFFFAOYSA-N 0 0 230.223 2.008 10 0 BEAERN CCc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC000167249555 343589177 /nfs/dbraw/zinc/58/91/77/343589177.db2.gz UWQSDHBOWKOXST-UHFFFAOYSA-N 0 0 222.031 2.254 10 0 BEAERN CC(C)N(CCO)c1ccc(N)c2cnccc21 ZINC000042478893 187266129 /nfs/dbraw/zinc/26/61/29/187266129.db2.gz GRENOULLTBTWKM-UHFFFAOYSA-N 0 0 245.326 2.024 10 0 BEAERN CC(C)c1ccc(Cc2cnc(N)nc2N)cc1 ZINC000019729610 343581060 /nfs/dbraw/zinc/58/10/60/343581060.db2.gz NARCKBGBYYTPIH-UHFFFAOYSA-N 0 0 242.326 2.355 10 0 BEAERN c1csc([C@H]2NCCc3ccsc32)n1 ZINC000712523136 537790687 /nfs/dbraw/zinc/79/06/87/537790687.db2.gz OHDDKRWTENGJLS-QMMMGPOBSA-N 0 0 222.338 2.440 10 0 BEAERN COC(=O)c1cccc(-c2ccnc(CO)c2)c1 ZINC000204975343 343608586 /nfs/dbraw/zinc/60/85/86/343608586.db2.gz DPKFMXPSGWFMNF-UHFFFAOYSA-N 0 0 243.262 2.028 10 0 BEAERN CC(=O)c1cnc(Br)c(C)c1 ZINC000140947112 343636737 /nfs/dbraw/zinc/63/67/37/343636737.db2.gz VTWMRYSTUSOHET-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN COC(=O)C[C@@H](CCO)c1cccc(Cl)c1 ZINC000205285366 343622619 /nfs/dbraw/zinc/62/26/19/343622619.db2.gz IEIKCKAUJGWZMR-SNVBAGLBSA-N 0 0 242.702 2.369 10 0 BEAERN C[C@@H]1Oc2c(cc(F)cc2Cl)C1=O ZINC000043633279 343631997 /nfs/dbraw/zinc/63/19/97/343631997.db2.gz JNCGFEAIVWQPIP-BYPYZUCNSA-N 0 0 200.596 2.443 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@@H](C)C[C@H]2C ZINC000300029496 537801292 /nfs/dbraw/zinc/80/12/92/537801292.db2.gz OSJFJDMRFJJURS-HZQMYPQZSA-N 0 0 232.707 2.320 10 0 BEAERN S=C1N=NC(N2CCCCCC2)S1 ZINC000044241591 187268623 /nfs/dbraw/zinc/26/86/23/187268623.db2.gz ISKVJDZASIUIKA-UHFFFAOYSA-N 0 0 215.347 2.207 10 0 BEAERN C[C@@H]1C[C@H](C)n2nc3cc(N)ccc3c2N1 ZINC000300027827 537801570 /nfs/dbraw/zinc/80/15/70/537801570.db2.gz LSMBTORJRSPJBF-SFYZADRCSA-N 0 0 216.288 2.384 10 0 BEAERN C1=C2C[C@H](O1)n1c3ccccc3nc1O2 ZINC000045238596 187269014 /nfs/dbraw/zinc/26/90/14/187269014.db2.gz XFONKEYJZASVCQ-JTQLQIEISA-N 0 0 200.197 2.189 10 0 BEAERN Nc1nn(C[C@H]2CC23CC3)cc1Br ZINC000722677148 537801673 /nfs/dbraw/zinc/80/16/73/537801673.db2.gz CQPUEWZRWSZZRG-ZCFIWIBFSA-N 0 0 242.120 2.028 10 0 BEAERN C[C@@H]1C[C@H](C)n2nc3ncccc3c2N1 ZINC000300032300 537802006 /nfs/dbraw/zinc/80/20/06/537802006.db2.gz VCRVEQVVIKUDAB-SFYZADRCSA-N 0 0 202.261 2.196 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccsc1[N+](=O)[O-] ZINC000379926466 343655647 /nfs/dbraw/zinc/65/56/47/343655647.db2.gz LQYDGQPLLUXVCA-BQBZGAKWSA-N 0 0 228.273 2.246 10 0 BEAERN O=Cc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000054716150 343661357 /nfs/dbraw/zinc/66/13/57/343661357.db2.gz RPHFOETVHRTLNN-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)c(C)n1 ZINC000309510984 343661718 /nfs/dbraw/zinc/66/17/18/343661718.db2.gz UBRQLYSPJZKDRV-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN C/C=C/C=C/C(=O)N[C@@]1(CO)CCC[C@@H](C)C1 ZINC000053105845 187270948 /nfs/dbraw/zinc/27/09/48/187270948.db2.gz RYABBYKQIGCDDV-UUHCJUGMSA-N 0 0 237.343 2.176 10 0 BEAERN CC(C)(C)Cn1ncc(Br)c1N ZINC000043666501 343696665 /nfs/dbraw/zinc/69/66/65/343696665.db2.gz AQYHCMKTVOQYHA-UHFFFAOYSA-N 0 0 232.125 2.274 10 0 BEAERN Nc1c(Cl)cnn1Cc1cccs1 ZINC000043665259 343696795 /nfs/dbraw/zinc/69/67/95/343696795.db2.gz ZURJGYFKGAHVPX-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN Nc1c(Cl)cnn1C1CCSCC1 ZINC000043665859 343697236 /nfs/dbraw/zinc/69/72/36/343697236.db2.gz ABJCBOXKACCPDN-UHFFFAOYSA-N 0 0 217.725 2.187 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CC(C)(C)C[C@H]2C ZINC000300060620 537804333 /nfs/dbraw/zinc/80/43/33/537804333.db2.gz FRNCQSFJBCZYLO-VDDIYKPWSA-N 0 0 212.289 2.143 10 0 BEAERN FC(F)c1nc(-c2cccs2)n[nH]1 ZINC000054700050 343697669 /nfs/dbraw/zinc/69/76/69/343697669.db2.gz KYMXYDDUPGUKDX-UHFFFAOYSA-N 0 0 201.201 2.471 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000616613444 349836817 /nfs/dbraw/zinc/83/68/17/349836817.db2.gz YVXUZWZILJKKFH-SNVBAGLBSA-N 0 0 223.276 2.093 10 0 BEAERN Cc1ccc(N)c(C(=O)N2CCC[C@@H]2C)c1 ZINC000052999510 187271019 /nfs/dbraw/zinc/27/10/19/187271019.db2.gz OGZFJTFYZMRKTD-JTQLQIEISA-N 0 0 218.300 2.202 10 0 BEAERN COc1cc(-c2ccoc2C=O)ccn1 ZINC000234935327 343700632 /nfs/dbraw/zinc/70/06/32/343700632.db2.gz NCSMHPWWNBYXFS-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ncccn1 ZINC000616613434 349837464 /nfs/dbraw/zinc/83/74/64/349837464.db2.gz YHLCOFYULJOTMI-SNVBAGLBSA-N 0 0 235.287 2.160 10 0 BEAERN CCn1cc([C@@H]2NCC[C@@H](C)S2)cn1 ZINC000234221948 343709467 /nfs/dbraw/zinc/70/94/67/343709467.db2.gz YVPFWGIUFOELHT-PSASIEDQSA-N 0 0 211.334 2.017 10 0 BEAERN CC1(C)C[C@H]1NC(=O)c1ccc(N)cc1Cl ZINC000045114982 187269625 /nfs/dbraw/zinc/26/96/25/187269625.db2.gz KMTQOQIKXFHWQV-SNVBAGLBSA-N 0 0 238.718 2.451 10 0 BEAERN CCOC(OCC)c1nc(C(C)C)no1 ZINC000082583221 537804700 /nfs/dbraw/zinc/80/47/00/537804700.db2.gz SVROVWXYHHFAOO-UHFFFAOYSA-N 0 0 214.265 2.265 10 0 BEAERN CC(=O)Nc1ccc(F)c(NCc2ncc[nH]2)c1 ZINC000049714880 187269903 /nfs/dbraw/zinc/26/99/03/187269903.db2.gz BINXKGXBHMPXDD-UHFFFAOYSA-N 0 0 248.261 2.119 10 0 BEAERN Cc1ccc(CN(C)CC(=O)OC(C)C)cc1 ZINC000049826116 187270082 /nfs/dbraw/zinc/27/00/82/187270082.db2.gz YOSKNMLFECRHFP-UHFFFAOYSA-N 0 0 235.327 2.378 10 0 BEAERN Nc1ccc(N2CCC[C@@H]2c2cccnc2)nc1 ZINC000036132041 343681799 /nfs/dbraw/zinc/68/17/99/343681799.db2.gz FFJVZYDOEAHLMP-CYBMUJFWSA-N 0 0 240.310 2.400 10 0 BEAERN CC[C@@H]1CCC[C@@]12O[C@]2(Cl)C(=O)OC ZINC000300027029 537802850 /nfs/dbraw/zinc/80/28/50/537802850.db2.gz KKINZNNOIYLGJZ-SZEHBUNVSA-N 0 0 218.680 2.074 10 0 BEAERN CSc1sc(C(N)=O)c(N)c1C1CC1 ZINC000235079539 343733265 /nfs/dbraw/zinc/73/32/65/343733265.db2.gz OYAKSMKARPQLPU-UHFFFAOYSA-N 0 0 228.342 2.029 10 0 BEAERN C[C@H](Oc1cccc(F)c1F)C(N)=S ZINC000062615120 343742603 /nfs/dbraw/zinc/74/26/03/343742603.db2.gz SAWWTXDDYIERIR-YFKPBYRVSA-N 0 0 217.240 2.018 10 0 BEAERN CC[C@@H](C)CN[C@@H](C(=O)OC)C(C)(C)C ZINC000119321969 343712648 /nfs/dbraw/zinc/71/26/48/343712648.db2.gz KBEORKMKQLKECG-ZJUUUORDSA-N 0 0 215.337 2.210 10 0 BEAERN COC(=O)Cc1csc2cc(O)cc(F)c12 ZINC000396300332 346959723 /nfs/dbraw/zinc/95/97/23/346959723.db2.gz HZGIFUZQWCKKPR-UHFFFAOYSA-N 0 0 240.255 2.462 10 0 BEAERN C[C@H]1CC[C@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000127338907 343723436 /nfs/dbraw/zinc/72/34/36/343723436.db2.gz FGTOTTXVAQEOTR-QWRGUYRKSA-N 0 0 221.300 2.469 10 0 BEAERN CSc1c(N)nsc1NC1CCC1 ZINC000235059686 343726907 /nfs/dbraw/zinc/72/69/07/343726907.db2.gz OIBDASPWZFAWQA-UHFFFAOYSA-N 0 0 215.347 2.412 10 0 BEAERN CC(C)[C@H]1CCc2nc(CO)sc2C1 ZINC000061802359 343729220 /nfs/dbraw/zinc/72/92/20/343729220.db2.gz OVNHFXYQHAAMBV-QMMMGPOBSA-N 0 0 211.330 2.396 10 0 BEAERN CC(=O)Nc1cccc(NCc2c[nH]c(C)n2)c1 ZINC000054797998 187271929 /nfs/dbraw/zinc/27/19/29/187271929.db2.gz XXZZCVQRMYDSCH-UHFFFAOYSA-N 0 0 244.298 2.289 10 0 BEAERN OC[C@@H](Nc1ccnc(Cl)n1)c1ccccc1 ZINC000063011977 343747542 /nfs/dbraw/zinc/74/75/42/343747542.db2.gz QFJZDDJAWQSCBX-SNVBAGLBSA-N 0 0 249.701 2.276 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CCCCO1)C(C)(C)C ZINC000128218400 343764606 /nfs/dbraw/zinc/76/46/06/343764606.db2.gz RJMQRPRIYKEOIJ-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1ccc(Cc2cc(=O)[nH]cn2)cc1 ZINC000409427834 343802230 /nfs/dbraw/zinc/80/22/30/343802230.db2.gz CNMGGPFUFSQUNQ-UHFFFAOYSA-N 0 0 200.241 2.081 10 0 BEAERN CCn1cc(C=O)c(-c2cccs2)n1 ZINC000041043572 343784493 /nfs/dbraw/zinc/78/44/93/343784493.db2.gz VGZMXPLJSHSVRU-UHFFFAOYSA-N 0 0 206.270 2.444 10 0 BEAERN O=Cc1ncn2c1CO[C@H](c1cccs1)C2 ZINC000409428040 343802680 /nfs/dbraw/zinc/80/26/80/343802680.db2.gz LGNGKRPYKBOWHM-JTQLQIEISA-N 0 0 234.280 2.029 10 0 BEAERN Cc1cccc(Cn2cnc(C=O)c2)c1 ZINC000107368480 343785549 /nfs/dbraw/zinc/78/55/49/343785549.db2.gz ZTNZDPRTEWHIFI-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Clc1nccc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000132126752 343788339 /nfs/dbraw/zinc/78/83/39/343788339.db2.gz ZIUQZEALAWEPEL-IUCAKERBSA-N 0 0 223.707 2.366 10 0 BEAERN O[C@H](Cc1ncc[nH]1)c1ccc(Cl)s1 ZINC000051172970 346973938 /nfs/dbraw/zinc/97/39/38/346973938.db2.gz SXACWTIQAPQESC-ZCFIWIBFSA-N 0 0 228.704 2.401 10 0 BEAERN Cc1ccc([C@H]2C[C@@H](C(=O)[O-])C[N@H+]2C)cc1 ZINC000212764949 343791796 /nfs/dbraw/zinc/79/17/96/343791796.db2.gz PMZAEKUGYPJACC-VXGBXAGGSA-N 0 0 219.284 2.072 10 0 BEAERN O=c1cc(Cc2ccccc2)nc(C2CC2)[nH]1 ZINC000198525315 343792174 /nfs/dbraw/zinc/79/21/74/343792174.db2.gz ZLESNEMNFITHLJ-UHFFFAOYSA-N 0 0 226.279 2.238 10 0 BEAERN O=c1cc(-c2ccsc2)nc(C2CC2)[nH]1 ZINC000224803200 343793147 /nfs/dbraw/zinc/79/31/47/343793147.db2.gz PICIPMHIYJGSJK-UHFFFAOYSA-N 0 0 218.281 2.376 10 0 BEAERN COC(=O)Cc1ccc(C(F)(F)F)c(O)c1 ZINC000309175962 346976983 /nfs/dbraw/zinc/97/69/83/346976983.db2.gz WXFWKSNCOCWIGL-UHFFFAOYSA-N 0 0 234.173 2.127 10 0 BEAERN Cc1[nH]c(=S)nc(N)c1-c1ccccc1 ZINC000238565631 343795965 /nfs/dbraw/zinc/79/59/65/343795965.db2.gz QWFNKASLHJNYOW-UHFFFAOYSA-N 0 0 217.297 2.323 10 0 BEAERN c1ccc(-c2n[nH]c3c2COCC3)cc1 ZINC000238047032 343796044 /nfs/dbraw/zinc/79/60/44/343796044.db2.gz OKHQJSNJSASUCN-UHFFFAOYSA-N 0 0 200.241 2.149 10 0 BEAERN CC[C@H](C(=O)[O-])[NH+]1CCC(C(C)(F)F)CC1 ZINC000409426791 343798931 /nfs/dbraw/zinc/79/89/31/343798931.db2.gz IRWYXYUREORSTQ-SECBINFHSA-N 0 0 235.274 2.217 10 0 BEAERN FC[C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000409426770 343798975 /nfs/dbraw/zinc/79/89/75/343798975.db2.gz IRHMBUAILBDSDP-QMMMGPOBSA-N 0 0 229.686 2.316 10 0 BEAERN CCN(c1cc(Cl)ncn1)[C@H]1CCSC1 ZINC000409426783 343799076 /nfs/dbraw/zinc/79/90/76/343799076.db2.gz CYWBMNHHPPESQT-QMMMGPOBSA-N 0 0 243.763 2.462 10 0 BEAERN C[C@@H](C(=O)[O-])[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000409427263 343800531 /nfs/dbraw/zinc/80/05/31/343800531.db2.gz IMXHXIJHFGVYBL-CMPLNLGQSA-N 0 0 234.299 2.082 10 0 BEAERN C[C@@H](C(=O)[O-])[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000409427265 343800636 /nfs/dbraw/zinc/80/06/36/343800636.db2.gz IMXHXIJHFGVYBL-JQWIXIFHSA-N 0 0 234.299 2.082 10 0 BEAERN Cc1oncc1-c1cc(Br)ncn1 ZINC000409427616 343801803 /nfs/dbraw/zinc/80/18/03/343801803.db2.gz AYLWZJBBLBGMJW-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN F[C@H]1CN[C@H](c2nc(-c3cccs3)no2)C1 ZINC000409422572 343813973 /nfs/dbraw/zinc/81/39/73/343813973.db2.gz GGEZZBAUZDCUFB-RQJHMYQMSA-N 0 0 239.275 2.171 10 0 BEAERN F[C@H]1CN[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000409424907 343817780 /nfs/dbraw/zinc/81/77/80/343817780.db2.gz ZKUFHVYNHRXENH-NXEZZACHSA-N 0 0 233.246 2.109 10 0 BEAERN O=Cc1ncn2c1CO[C@H](c1ccsc1)C2 ZINC000409425785 343820374 /nfs/dbraw/zinc/82/03/74/343820374.db2.gz BKYHBJRBYNJOPL-NSHDSACASA-N 0 0 234.280 2.029 10 0 BEAERN CC(C)(C)OC(=O)NCC1(CO)CC(C)(C)C1 ZINC000409426255 343821793 /nfs/dbraw/zinc/82/17/93/343821793.db2.gz PIXRPEHLERTTEY-UHFFFAOYSA-N 0 0 243.347 2.310 10 0 BEAERN Cc1nc(C)c(-c2cc(=O)[nH]c(C)n2)s1 ZINC000409429316 343805168 /nfs/dbraw/zinc/80/51/68/343805168.db2.gz JATMEKQIDBTGRJ-UHFFFAOYSA-N 0 0 221.285 2.231 10 0 BEAERN CCOC(=O)c1ccc(N2CCCC[C@H]2C)nn1 ZINC000409429772 343806713 /nfs/dbraw/zinc/80/67/13/343806713.db2.gz STSBFVMIYIBPTO-SNVBAGLBSA-N 0 0 249.314 2.032 10 0 BEAERN CCNc1nc(Cl)c2ccccc2n1 ZINC000409429931 343807209 /nfs/dbraw/zinc/80/72/09/343807209.db2.gz KAERRNDQAHNCCD-UHFFFAOYSA-N 0 0 207.664 2.137 10 0 BEAERN CC(C)CN(CC(C)C)c1ccc(=O)[nH]n1 ZINC000409430263 343807576 /nfs/dbraw/zinc/80/75/76/343807576.db2.gz UZACPVPATRUZEP-UHFFFAOYSA-N 0 0 223.320 2.301 10 0 BEAERN Cc1nc(Cc2ccccc2F)cc(=O)[nH]1 ZINC000409430522 343808729 /nfs/dbraw/zinc/80/87/29/343808729.db2.gz MBGBFZKPHOUNRW-UHFFFAOYSA-N 0 0 218.231 2.221 10 0 BEAERN O[C@@H](c1cccnc1)C1CCSCC1 ZINC000390016702 343810479 /nfs/dbraw/zinc/81/04/79/343810479.db2.gz WXOLWFGHTWPRSA-LLVKDONJSA-N 0 0 209.314 2.258 10 0 BEAERN O=Cc1c(-c2ccncc2)n[nH]c1C1CC1 ZINC000409442093 343857410 /nfs/dbraw/zinc/85/74/10/343857410.db2.gz WLIIYNFDPSZHIY-UHFFFAOYSA-N 0 0 213.240 2.162 10 0 BEAERN CC(C)Cn1ccn2nc(C3CC3)c(CO)c12 ZINC000409440050 343854126 /nfs/dbraw/zinc/85/41/26/343854126.db2.gz VJVSHRUSAHKBFC-UHFFFAOYSA-N 0 0 233.315 2.162 10 0 BEAERN N=C(NO)[C@H](c1ccccc1)n1cccc1 ZINC000409442169 343857453 /nfs/dbraw/zinc/85/74/53/343857453.db2.gz TWPFRTQDBZJNMQ-NSHDSACASA-N 0 0 215.256 2.034 10 0 BEAERN CSc1nc(CC(C)(C)C)cc(=O)[nH]1 ZINC000409433286 343831940 /nfs/dbraw/zinc/83/19/40/343831940.db2.gz ZXGKZLRBSLRNMX-UHFFFAOYSA-N 0 0 212.318 2.493 10 0 BEAERN COC(=O)c1c(C2CC2)n[nH]c1C(C)C ZINC000409442038 343856648 /nfs/dbraw/zinc/85/66/48/343856648.db2.gz WEHNUCHULGCPND-UHFFFAOYSA-N 0 0 208.261 2.197 10 0 BEAERN CC(=O)Cn1cc(C)c(=O)c2cccc(C)c21 ZINC000072236933 187276246 /nfs/dbraw/zinc/27/62/46/187276246.db2.gz LTIJTMKRORPXCW-UHFFFAOYSA-N 0 0 229.279 2.207 10 0 BEAERN CCOC[C@@H]1CN(c2ccccc2N)C[C@H]1C ZINC000409436397 343839258 /nfs/dbraw/zinc/83/92/58/343839258.db2.gz ZPEMWYMMUFCVOX-NEPJUHHUSA-N 0 0 234.343 2.378 10 0 BEAERN c1cc(-c2n[nH]c3c2COCC3)cs1 ZINC000409437136 343842279 /nfs/dbraw/zinc/84/22/79/343842279.db2.gz DVBZBBDMNPGWMU-UHFFFAOYSA-N 0 0 206.270 2.211 10 0 BEAERN FC(F)(F)c1nn(CC2CC2)c2c1COCC2 ZINC000409437508 343843814 /nfs/dbraw/zinc/84/38/14/343843814.db2.gz HJYMMCIAQULBQL-UHFFFAOYSA-N 0 0 246.232 2.385 10 0 BEAERN O=c1cc(-c2ccsc2)[n-]n1[C@@H]1CCC[NH2+]C1 ZINC000409438441 343844229 /nfs/dbraw/zinc/84/42/29/343844229.db2.gz LHYJJGBTWPHTQU-SNVBAGLBSA-N 0 0 249.339 2.242 10 0 BEAERN CCc1[nH]nc(-c2ccccc2)c1CO ZINC000409438700 343844798 /nfs/dbraw/zinc/84/47/98/343844798.db2.gz FFUCZVXPALNCNQ-UHFFFAOYSA-N 0 0 202.257 2.131 10 0 BEAERN CCn1nc(-c2ccccn2)c2c1CCOC2 ZINC000409438610 343844890 /nfs/dbraw/zinc/84/48/90/343844890.db2.gz MGRHWXZAGJOJOK-UHFFFAOYSA-N 0 0 229.283 2.038 10 0 BEAERN Cc1nn(C)c2c1[C@@H](CO)C[C@H](C(C)(C)C)N2 ZINC000409438551 343844922 /nfs/dbraw/zinc/84/49/22/343844922.db2.gz DAEMVKNOWWFJHC-NXEZZACHSA-N 0 0 237.347 2.035 10 0 BEAERN Cn1ccn2nc(-c3cccs3)cc12 ZINC000409439241 343847076 /nfs/dbraw/zinc/84/70/76/343847076.db2.gz QMUYDGAMKNJPRC-UHFFFAOYSA-N 0 0 203.270 2.401 10 0 BEAERN N=C(NO)[C@H](c1cccc(F)c1)n1cccc1 ZINC000409439411 343847296 /nfs/dbraw/zinc/84/72/96/343847296.db2.gz HCBJSUUIJFHDGC-NSHDSACASA-N 0 0 233.246 2.173 10 0 BEAERN CC(C)c1[nH]nc(-c2cccnc2)c1CCO ZINC000409439820 343848426 /nfs/dbraw/zinc/84/84/26/343848426.db2.gz JQZFPHJGNNJJOM-UHFFFAOYSA-N 0 0 231.299 2.130 10 0 BEAERN Cn1nc(-c2cccs2)c2c1CCOC2 ZINC000409439745 343848518 /nfs/dbraw/zinc/84/85/18/343848518.db2.gz QNZPMONXKXTHBA-UHFFFAOYSA-N 0 0 220.297 2.221 10 0 BEAERN OCc1c(-c2ccccn2)n[nH]c1C1CCC1 ZINC000409437909 343849297 /nfs/dbraw/zinc/84/92/97/343849297.db2.gz AYMCUYFPHGREMU-UHFFFAOYSA-N 0 0 229.283 2.232 10 0 BEAERN O=c1cc(-c2ccsc2)n(C2CC2)c(=O)[nH]1 ZINC000409438126 343849887 /nfs/dbraw/zinc/84/98/87/343849887.db2.gz KPEWBZJVTUCCBZ-UHFFFAOYSA-N 0 0 234.280 2.012 10 0 BEAERN OCCn1ccn2nc(C3CCCCC3)cc12 ZINC000409438313 343850258 /nfs/dbraw/zinc/85/02/58/343850258.db2.gz LOIODGZLGBUSPW-UHFFFAOYSA-N 0 0 233.315 2.176 10 0 BEAERN COC(=O)CCc1c(C)[nH]nc1-c1ccoc1 ZINC000409438293 343850332 /nfs/dbraw/zinc/85/03/32/343850332.db2.gz CGXIYGPIEICTHA-UHFFFAOYSA-N 0 0 234.255 2.084 10 0 BEAERN CCc1[nH]nc(-c2ccsc2)c1C(=O)OC ZINC000409440332 343851756 /nfs/dbraw/zinc/85/17/56/343851756.db2.gz MQKZZMHSJXUAMV-UHFFFAOYSA-N 0 0 236.296 2.487 10 0 BEAERN CC(C)c1n[nH]c(-c2ccccn2)c1C=O ZINC000409440303 343851856 /nfs/dbraw/zinc/85/18/56/343851856.db2.gz MDQWVJUXHOQNFZ-UHFFFAOYSA-N 0 0 215.256 2.408 10 0 BEAERN CCOc1cc(Cl)cc(O)c1OC ZINC000409441560 343859651 /nfs/dbraw/zinc/85/96/51/343859651.db2.gz PSIKKZCMTZFNJZ-UHFFFAOYSA-N 0 0 202.637 2.453 10 0 BEAERN CN(C)c1cc(N)cc(C(F)(F)F)c1 ZINC000146131235 537830197 /nfs/dbraw/zinc/83/01/97/537830197.db2.gz DFYGKOSCBJDERW-UHFFFAOYSA-N 0 0 204.195 2.354 10 0 BEAERN CCn1nc(-c2cccs2)cc1C(=O)OC ZINC000409442994 343865144 /nfs/dbraw/zinc/86/51/44/343865144.db2.gz FGFHERUJPLSONR-UHFFFAOYSA-N 0 0 236.296 2.418 10 0 BEAERN COC(=N)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000409443069 343865776 /nfs/dbraw/zinc/86/57/76/343865776.db2.gz GLXRJVIUWMXAFX-UHFFFAOYSA-N 0 0 247.220 2.403 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)nn1C(F)F ZINC000409443273 343866549 /nfs/dbraw/zinc/86/65/49/343866549.db2.gz KELRWAVDIVHZEP-UHFFFAOYSA-N 0 0 244.119 2.084 10 0 BEAERN CSCCCCNC(=O)[C@H](C)CSC ZINC000126284238 343868589 /nfs/dbraw/zinc/86/85/89/343868589.db2.gz RTMCKDVGNVYFJN-SECBINFHSA-N 0 0 235.418 2.245 10 0 BEAERN CC[C@@H](C)c1cc(=O)n(C(C)(C)C)c(=O)[nH]1 ZINC000575622410 343869867 /nfs/dbraw/zinc/86/98/67/343869867.db2.gz LBGROBQDQOQPBR-MRVPVSSYSA-N 0 0 224.304 2.217 10 0 BEAERN CCOC(=O)[C@@](Cl)(C(C)=O)c1ccccc1 ZINC000208874089 343869927 /nfs/dbraw/zinc/86/99/27/343869927.db2.gz ADJQFAURESSBAJ-GFCCVEGCSA-N 0 0 240.686 2.273 10 0 BEAERN Nc1cc(-c2c(F)cccc2Cl)ncn1 ZINC000575621812 343870355 /nfs/dbraw/zinc/87/03/55/343870355.db2.gz AYLQSEKIUBVIIK-UHFFFAOYSA-N 0 0 223.638 2.349 10 0 BEAERN O=c1cc(C2CCCCC2)[nH]c(=O)n1C1CC1 ZINC000575622024 343870853 /nfs/dbraw/zinc/87/08/53/343870853.db2.gz IHXSWNOMFVZVKT-UHFFFAOYSA-N 0 0 234.299 2.332 10 0 BEAERN CCCc1cc(C(=O)OC)nc(C2CC2)n1 ZINC000575622710 343874693 /nfs/dbraw/zinc/87/46/93/343874693.db2.gz QWKZBIFUHZJSDF-UHFFFAOYSA-N 0 0 220.272 2.093 10 0 BEAERN CCOC(=O)c1cc([C@H](C)CC)nc(C)n1 ZINC000575622831 343875286 /nfs/dbraw/zinc/87/52/86/343875286.db2.gz VLISUAQSVAXMFQ-MRVPVSSYSA-N 0 0 222.288 2.475 10 0 BEAERN CCCCN(C)C(=O)NCc1cscn1 ZINC000126358411 343890316 /nfs/dbraw/zinc/89/03/16/343890316.db2.gz BRUPOHJREWROPN-UHFFFAOYSA-N 0 0 227.333 2.085 10 0 BEAERN Cc1nn(CC[C@H]2C[C@@H]2C2CC2)cc1N ZINC000714781703 537832443 /nfs/dbraw/zinc/83/24/43/537832443.db2.gz OZWDMBYBSXKWAB-WDEREUQCSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1cn(CC[C@H]2C[C@@H]2C2CC2)nc1N ZINC000714767888 537832731 /nfs/dbraw/zinc/83/27/31/537832731.db2.gz AMMANWMGSLDXFY-WDEREUQCSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1ccc(Br)c(F)c1CO ZINC000075925969 187279243 /nfs/dbraw/zinc/27/92/43/187279243.db2.gz OMFWAFFUHRXMNP-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN COC(=O)c1cccnc1C[N@@H+]1CCCC1(C)C ZINC000305952393 343917826 /nfs/dbraw/zinc/91/78/26/343917826.db2.gz NFWWEQADIZQLGY-UHFFFAOYSA-N 0 0 248.326 2.243 10 0 BEAERN CCc1csc(-c2cccnc2N)n1 ZINC000070007118 343946390 /nfs/dbraw/zinc/94/63/90/343946390.db2.gz PFTBQHXODXCAKG-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]2CC(=O)C[C@@H]21 ZINC000076684803 187280000 /nfs/dbraw/zinc/28/00/00/187280000.db2.gz VNMVECQDXBPHAN-KOLCDFICSA-N 0 0 239.315 2.365 10 0 BEAERN C[C@@]1(Nc2cccc(F)n2)CCCOC1 ZINC000235394063 343974653 /nfs/dbraw/zinc/97/46/53/343974653.db2.gz FFKOVFDEIPCZNQ-LLVKDONJSA-N 0 0 210.252 2.202 10 0 BEAERN COCC1=CC(=O)Nc2ccccc2S1 ZINC000072416382 343951938 /nfs/dbraw/zinc/95/19/38/343951938.db2.gz DQYCUIFCBSNVHO-UHFFFAOYSA-N 0 0 221.281 2.261 10 0 BEAERN CCN(c1nsc(N)n1)c1ccccc1 ZINC000072416358 343952067 /nfs/dbraw/zinc/95/20/67/343952067.db2.gz FXTWJZVTBMZYNW-UHFFFAOYSA-N 0 0 220.301 2.278 10 0 BEAERN CC[C@@H]1Cc2ccc(Cl)cc2C(=O)N1 ZINC000070587888 343952826 /nfs/dbraw/zinc/95/28/26/343952826.db2.gz BYPDYUUNELBLMO-SECBINFHSA-N 0 0 209.676 2.405 10 0 BEAERN Cc1ccc(C(=O)c2ccc(N)cc2)o1 ZINC000070651690 343953530 /nfs/dbraw/zinc/95/35/30/343953530.db2.gz PLVABXMDYKLVIL-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN CC(=O)c1csc(Cc2cccnc2)n1 ZINC000070848731 343956409 /nfs/dbraw/zinc/95/64/09/343956409.db2.gz SEFGFYGVOYOWOS-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN C[C@H]1C[C@](O)(CCC(F)(F)F)CCO1 ZINC000070917409 343957275 /nfs/dbraw/zinc/95/72/75/343957275.db2.gz DVEIAJGGDYLSHF-YUMQZZPRSA-N 0 0 212.211 2.259 10 0 BEAERN Fc1cccc(F)c1-n1cnnc1Cl ZINC000071053487 343959645 /nfs/dbraw/zinc/95/96/45/343959645.db2.gz PPQQHKPCMLMVAC-UHFFFAOYSA-N 0 0 215.590 2.199 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC2(C1)CCOCC2 ZINC000306055007 343965966 /nfs/dbraw/zinc/96/59/66/343965966.db2.gz QQYXSFJGIBDPRC-CLLJXQQHSA-N 0 0 249.354 2.062 10 0 BEAERN CN[C@@]1(C(F)(F)F)CCCC[C@H]1OC ZINC000234442672 343966359 /nfs/dbraw/zinc/96/63/59/343966359.db2.gz AAWPNMNHBNGVHR-SFYZADRCSA-N 0 0 211.227 2.096 10 0 BEAERN Cc1cccc(O)c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000625735176 344061106 /nfs/dbraw/zinc/06/11/06/344061106.db2.gz VOGMVGPKODQXAM-MNOVXSKESA-N 0 0 231.295 2.325 10 0 BEAERN Brc1nc(C2CC2)ns1 ZINC000083669849 187285494 /nfs/dbraw/zinc/28/54/94/187285494.db2.gz FJKWDKYPIXOIMD-UHFFFAOYSA-N 0 0 205.080 2.178 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2cccnc2C1=O ZINC000091353377 187287018 /nfs/dbraw/zinc/28/70/18/187287018.db2.gz BWUBKUQZOUQKLG-UHFFFAOYSA-N 0 0 248.282 2.015 10 0 BEAERN Cc1cc2c(c(C)c1CO)C(=O)[C@H](C)C2 ZINC000238742318 344110715 /nfs/dbraw/zinc/11/07/15/344110715.db2.gz FUOYIVLWRSGBHK-MRVPVSSYSA-N 0 0 204.269 2.171 10 0 BEAERN C[C@@H](Nc1cc(C2CC2)ncn1)[C@@H]1CCCO1 ZINC000641280849 362343919 /nfs/dbraw/zinc/34/39/19/362343919.db2.gz JRFGYUCVHYLARD-SKDRFNHKSA-N 0 0 233.315 2.333 10 0 BEAERN CN(C)C(C)(C)C(=O)OCc1ccccc1 ZINC000214997419 344111841 /nfs/dbraw/zinc/11/18/41/344111841.db2.gz LNTWOLRPNQGJJK-UHFFFAOYSA-N 0 0 221.300 2.070 10 0 BEAERN O=C1CN(C2CC2)C(=O)N1[C@H]1CCC12CCCC2 ZINC000335913473 344084952 /nfs/dbraw/zinc/08/49/52/344084952.db2.gz TXJXSYPBMPCAGT-NSHDSACASA-N 0 0 248.326 2.136 10 0 BEAERN Cc1nc([C@H]2NC[C@@H](C)S2)cs1 ZINC000126782397 344099783 /nfs/dbraw/zinc/09/97/83/344099783.db2.gz BQRPVBWGSFSVFZ-XRGYYRRGSA-N 0 0 200.332 2.175 10 0 BEAERN COc1nc(Br)ccc1OC1CC1 ZINC000095731249 187287743 /nfs/dbraw/zinc/28/77/43/187287743.db2.gz AREJGASQYIGXTB-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN COc1ccc(OC2CC2)cc1N(C)C ZINC000095730274 187288072 /nfs/dbraw/zinc/28/80/72/187288072.db2.gz GVSIKLCUFABMIT-UHFFFAOYSA-N 0 0 207.273 2.302 10 0 BEAERN O=C1C[C@@H](SCc2ccccc2)CO1 ZINC000215307780 344122124 /nfs/dbraw/zinc/12/21/24/344122124.db2.gz WUHDSHHCRGZIJB-SNVBAGLBSA-N 0 0 208.282 2.235 10 0 BEAERN C/C(=C\I)C[C@H](C)CO ZINC000215450163 344126936 /nfs/dbraw/zinc/12/69/36/344126936.db2.gz RFTKGLUTHMILCE-KNIZRNDPSA-N 0 0 240.084 2.344 10 0 BEAERN Fc1ccc(-n2nncc2-c2ccncc2)cc1 ZINC000026161791 344127610 /nfs/dbraw/zinc/12/76/10/344127610.db2.gz PVMZXHCJCCHXRH-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN C[C@@H](O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000215937206 344135475 /nfs/dbraw/zinc/13/54/75/344135475.db2.gz YCTHTGCKEXSUBT-LDWIPMOCSA-N 0 0 218.655 2.283 10 0 BEAERN C[C@H]1OCC[C@]1(CO)Cc1cccs1 ZINC000127326608 344141151 /nfs/dbraw/zinc/14/11/51/344141151.db2.gz GOPPYXNPWUOZJX-MWLCHTKSSA-N 0 0 212.314 2.078 10 0 BEAERN CNc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000259244385 344145512 /nfs/dbraw/zinc/14/55/12/344145512.db2.gz SEJPNNASFBSSAK-UHFFFAOYSA-N 0 0 223.276 2.470 10 0 BEAERN CC(C)(C)c1ccnc(N[C@@H]2CCCNC2=O)c1 ZINC000641322306 362362278 /nfs/dbraw/zinc/36/22/78/362362278.db2.gz XVTBBEHUVKGKKX-LLVKDONJSA-N 0 0 247.342 2.070 10 0 BEAERN Cc1cc(-n2cc(C=O)nn2)ccc1Cl ZINC000585143358 344178088 /nfs/dbraw/zinc/17/80/88/344178088.db2.gz BEEVQZMWJMFIMF-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN COc1ccc([C@@H]2CCC[C@H]2O)cc1F ZINC000055264944 259373980 /nfs/dbraw/zinc/37/39/80/259373980.db2.gz XFUKOCCOUGAMSU-GXSJLCMTSA-N 0 0 210.248 2.463 10 0 BEAERN CCOc1cc(C=O)cc(C2CC2)c1O ZINC000218323658 344229344 /nfs/dbraw/zinc/22/93/44/344229344.db2.gz FUXMURMFQGGHFI-UHFFFAOYSA-N 0 0 206.241 2.481 10 0 BEAERN CC1(C)C(=O)C(Cc2ccccc2)=C1[O-] ZINC000095936726 187289237 /nfs/dbraw/zinc/28/92/37/187289237.db2.gz CPNXMQLOOSGTLN-UHFFFAOYSA-N 0 0 202.253 2.023 10 0 BEAERN COc1ccc(OC)c([C@H]2CCC[C@H]2O)c1 ZINC000055234913 259374065 /nfs/dbraw/zinc/37/40/65/259374065.db2.gz QDKGJCFWZGXIJM-ZYHUDNBSSA-N 0 0 222.284 2.332 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(F)cnc1Cl ZINC000220330426 344236402 /nfs/dbraw/zinc/23/64/02/344236402.db2.gz JXEOYDHVWSBKOD-LURJTMIESA-N 0 0 230.670 2.402 10 0 BEAERN COc1ccc(OC)c([C@@H]2CCC[C@@H]2O)c1 ZINC000055234904 259374118 /nfs/dbraw/zinc/37/41/18/259374118.db2.gz QDKGJCFWZGXIJM-JQWIXIFHSA-N 0 0 222.284 2.332 10 0 BEAERN CC1=CCN(C(=O)C(C)(C)Br)CC1 ZINC000165960822 344249016 /nfs/dbraw/zinc/24/90/16/344249016.db2.gz QGBJDMNCGWWBLS-UHFFFAOYSA-N 0 0 246.148 2.339 10 0 BEAERN COC1CC(Nc2nc(Cl)cs2)C1 ZINC000234778649 344253236 /nfs/dbraw/zinc/25/32/36/344253236.db2.gz VIIYSTOXEYFIOI-UHFFFAOYSA-N 0 0 218.709 2.386 10 0 BEAERN Cc1cnc(CN2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000247506547 344296460 /nfs/dbraw/zinc/29/64/60/344296460.db2.gz MDNAHDUAFCQXLK-VXGBXAGGSA-N 0 0 236.315 2.126 10 0 BEAERN Cn1ncc(Cl)c1[C@@H](O)[C@H]1CC1(C)C ZINC000236084742 344296787 /nfs/dbraw/zinc/29/67/87/344296787.db2.gz KKNKPDXQYZSFFO-MUWHJKNJSA-N 0 0 214.696 2.153 10 0 BEAERN Cn1nc(-c2ccc(Cl)o2)[nH]c1=S ZINC000236093735 344297014 /nfs/dbraw/zinc/29/70/14/344297014.db2.gz NDJPMCGKVQBFRW-UHFFFAOYSA-N 0 0 215.665 2.017 10 0 BEAERN CCc1ncnc2[nH]cc(Br)c21 ZINC000166009902 344273048 /nfs/dbraw/zinc/27/30/48/344273048.db2.gz IFMDJYGVNIQGTQ-UHFFFAOYSA-N 0 0 226.077 2.283 10 0 BEAERN CCCCOc1ccc(-c2ccc(N)nn2)cn1 ZINC000091366496 344280038 /nfs/dbraw/zinc/28/00/38/344280038.db2.gz SGCVLRPIEOBOTI-UHFFFAOYSA-N 0 0 244.298 2.300 10 0 BEAERN COC(=O)c1c(C)cncc1OC(F)(F)F ZINC000309376853 347044504 /nfs/dbraw/zinc/04/45/04/347044504.db2.gz VSKORVZRDJGXKO-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CC(=O)Oc1nc(C)cc2ccccc21 ZINC000098090689 187290531 /nfs/dbraw/zinc/29/05/31/187290531.db2.gz MRACQVGXVNKWPH-UHFFFAOYSA-N 0 0 201.225 2.469 10 0 BEAERN CSCC(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000048750678 344430338 /nfs/dbraw/zinc/43/03/38/344430338.db2.gz WQNKCWIYMCSSTO-UHFFFAOYSA-N 0 0 227.333 2.009 10 0 BEAERN C[C@H]1C[C@H]1c1nsc(Br)n1 ZINC000166044760 344432533 /nfs/dbraw/zinc/43/25/33/344432533.db2.gz GSNPGFUUUPJNGV-IUYQGCFVSA-N 0 0 219.107 2.424 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000041318220 344433323 /nfs/dbraw/zinc/43/33/23/344433323.db2.gz NBTXIHMDNQSLPO-GFCCVEGCSA-N 0 0 217.312 2.488 10 0 BEAERN C[C@H]([NH3+])c1csc(-c2cccnc2)n1 ZINC000011568395 344376477 /nfs/dbraw/zinc/37/64/77/344376477.db2.gz FUACUQFNXGWFTO-ZETCQYMHSA-N 0 0 205.286 2.225 10 0 BEAERN O=C(c1ccccc1F)C1(O)CCCC1 ZINC000236477096 344390094 /nfs/dbraw/zinc/39/00/94/344390094.db2.gz AULNBOYUFYHIHQ-UHFFFAOYSA-N 0 0 208.232 2.314 10 0 BEAERN COC(=O)c1cc(N)cc(C)c1Br ZINC000145751211 344393816 /nfs/dbraw/zinc/39/38/16/344393816.db2.gz HVUWZJWTMFBHSG-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CC(C)c1nccc(Br)n1 ZINC000044117032 344394321 /nfs/dbraw/zinc/39/43/21/344394321.db2.gz UURNJSATOHGCRE-UHFFFAOYSA-N 0 0 201.067 2.363 10 0 BEAERN OCc1ccc(Sc2ncc[nH]2)s1 ZINC000236517296 344394514 /nfs/dbraw/zinc/39/45/14/344394514.db2.gz DGFHYUWICYBJGH-UHFFFAOYSA-N 0 0 212.299 2.115 10 0 BEAERN S=c1[nH]c(C2CC2)nc2c1CSC2 ZINC000236565738 344398256 /nfs/dbraw/zinc/39/82/56/344398256.db2.gz TUKRJKODWWIIBJ-UHFFFAOYSA-N 0 0 210.327 2.390 10 0 BEAERN NN[C@H](c1ccc(F)cc1Cl)C1CC1 ZINC000097522182 344398550 /nfs/dbraw/zinc/39/85/50/344398550.db2.gz HLZOUZXIMBJZQC-JTQLQIEISA-N 0 0 214.671 2.394 10 0 BEAERN CC[C@]1(c2cccc(O)c2)CCCCNC1=O ZINC000139549821 344403494 /nfs/dbraw/zinc/40/34/94/344403494.db2.gz FBNMGCRGBRDNOW-CQSZACIVSA-N 0 0 233.311 2.340 10 0 BEAERN Brc1nc(CC2CC2)ns1 ZINC000166040155 344409320 /nfs/dbraw/zinc/40/93/20/344409320.db2.gz AUPSYFMKQWELHE-UHFFFAOYSA-N 0 0 219.107 2.253 10 0 BEAERN COC1(Cn2c(C)c[nH]c2=S)CCC1 ZINC000234884902 344436288 /nfs/dbraw/zinc/43/62/88/344436288.db2.gz CEESGOMBAZLZBE-UHFFFAOYSA-N 0 0 212.318 2.049 10 0 BEAERN Cc1ccc(Cn2nc(C)c(Cl)c2N)o1 ZINC000043667397 178665630 /nfs/dbraw/zinc/66/56/30/178665630.db2.gz BXOWXFYQHOEJTL-UHFFFAOYSA-N 0 0 225.679 2.377 10 0 BEAERN COC(=O)c1ccc(C(=O)CC(C)C)nc1 ZINC000205502095 344418172 /nfs/dbraw/zinc/41/81/72/344418172.db2.gz AUADTSCDRTYGJE-UHFFFAOYSA-N 0 0 221.256 2.097 10 0 BEAERN Clc1n[nH]c(C2CCSCC2)n1 ZINC000402173445 344448349 /nfs/dbraw/zinc/44/83/49/344448349.db2.gz XFYOPRJBWRWXDV-UHFFFAOYSA-N 0 0 203.698 2.069 10 0 BEAERN Cc1ccc(O)c(C(=O)N2C[C@H]3CC[C@@H]2C3)c1 ZINC000042351173 344451627 /nfs/dbraw/zinc/45/16/27/344451627.db2.gz DENRBDSHZYOHGY-WDEREUQCSA-N 0 0 231.295 2.325 10 0 BEAERN CC(C)Oc1cc(-c2ccn(C)n2)ccc1N ZINC000150335672 344458334 /nfs/dbraw/zinc/45/83/34/344458334.db2.gz IEEVWPCOBKZSQP-UHFFFAOYSA-N 0 0 231.299 2.457 10 0 BEAERN CC(=O)c1ccc(F)c(Br)n1 ZINC000306876194 344466286 /nfs/dbraw/zinc/46/62/86/344466286.db2.gz CRPWONUXPGACKR-UHFFFAOYSA-N 0 0 218.025 2.186 10 0 BEAERN Nc1c(Br)cccc1-n1cccn1 ZINC000217064821 344473664 /nfs/dbraw/zinc/47/36/64/344473664.db2.gz MIICYNSPPIFJKG-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN CC(C)c1ncc(NC(=O)[C@H]2CC[C@@H](C)O2)cn1 ZINC000408330821 344511338 /nfs/dbraw/zinc/51/13/38/344511338.db2.gz KNUMHDXRYVYPHI-MWLCHTKSSA-N 0 0 249.314 2.106 10 0 BEAERN C[C@@H]1C[C@H](C)N(c2nc(Cl)nc(Cl)n2)C1 ZINC000158096042 344542025 /nfs/dbraw/zinc/54/20/25/344542025.db2.gz XUUSQYSQLKDJBV-RITPCOANSA-N 0 0 247.129 2.413 10 0 BEAERN CC1(C)CCC([N@@H+]2CC[C@@H]2C(=O)[O-])CC1 ZINC000215716388 349912333 /nfs/dbraw/zinc/91/23/33/349912333.db2.gz HVHKGCYIWIZUCD-SNVBAGLBSA-N 0 0 211.305 2.114 10 0 BEAERN CC[C@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000158127203 344548935 /nfs/dbraw/zinc/54/89/35/344548935.db2.gz GBCJEFKBWLXHOW-QMMMGPOBSA-N 0 0 211.696 2.366 10 0 BEAERN C[C@H]1CSCCN1CC(=O)C1CCCC1 ZINC000158257431 344575762 /nfs/dbraw/zinc/57/57/62/344575762.db2.gz LZMBNSASUCPBLG-JTQLQIEISA-N 0 0 227.373 2.183 10 0 BEAERN C[C@@H]1C(=O)c2ccc(F)cc2[S@@](=O)[C@@H]1C ZINC000230386080 344567805 /nfs/dbraw/zinc/56/78/05/344567805.db2.gz PKPRFHHJGHYEIJ-SOBLTARESA-N 0 0 226.272 2.154 10 0 BEAERN C[C@H](CO)Sc1ccc2c(n1)CCC2 ZINC000127616176 344577832 /nfs/dbraw/zinc/57/78/32/344577832.db2.gz YPOWELWLBPZXLL-MRVPVSSYSA-N 0 0 209.314 2.043 10 0 BEAERN CCc1ccc(C(=O)CCC(=O)OC)cc1 ZINC000048403088 344586991 /nfs/dbraw/zinc/58/69/91/344586991.db2.gz HSASOEIGISPQJX-UHFFFAOYSA-N 0 0 220.268 2.385 10 0 BEAERN CCOC(=O)Cc1c(C#N)ccc(F)c1Cl ZINC000396145156 344618263 /nfs/dbraw/zinc/61/82/63/344618263.db2.gz GKJVUMKKTMICRT-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCc1nc(CNC(=O)NCC(C)C)cs1 ZINC000107724167 347060685 /nfs/dbraw/zinc/06/06/85/347060685.db2.gz BJXHBTPWLHEBJA-UHFFFAOYSA-N 0 0 241.360 2.161 10 0 BEAERN COc1cc(OC)c(OC(F)F)cc1F ZINC000396125843 344609968 /nfs/dbraw/zinc/60/99/68/344609968.db2.gz LMBWIWXUFMULTL-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN CCOc1ccc(OC)c(F)c1OC ZINC000396127681 344610250 /nfs/dbraw/zinc/61/02/50/344610250.db2.gz ROCXJPWPZXVDQR-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CCOC(=O)Cc1ccc(Cl)c(F)c1C#N ZINC000396144846 344618323 /nfs/dbraw/zinc/61/83/23/344618323.db2.gz FGEYWTRJINUKKZ-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1c(O)c(C#N)ccc1CC ZINC000396135175 344613219 /nfs/dbraw/zinc/61/32/19/344613219.db2.gz HJQDGSSUKZMFBY-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)c1nc(Cl)ccc1OC(F)F ZINC000396136237 344613632 /nfs/dbraw/zinc/61/36/32/344613632.db2.gz LHENPGUZMVPZJV-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)Cc1cc(C)c(Cl)cc1C#N ZINC000396145287 344618521 /nfs/dbraw/zinc/61/85/21/344618521.db2.gz SMKIKRJQKOSKNS-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1c(F)cc(Cl)cc1C#N ZINC000396141079 344615539 /nfs/dbraw/zinc/61/55/39/344615539.db2.gz COQDUVRYOCNNSE-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)Cc1cc(F)c(Cl)cc1C#N ZINC000396145180 344618544 /nfs/dbraw/zinc/61/85/44/344618544.db2.gz GRMQVGSITWZVCD-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)c1ccc(Cl)c(C#N)c1OC ZINC000396142607 344616418 /nfs/dbraw/zinc/61/64/18/344616418.db2.gz IYCAJFBRDAOYOO-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1cc(CC)c(F)cc1C#N ZINC000396142680 344616781 /nfs/dbraw/zinc/61/67/81/344616781.db2.gz JOAYRFGJFGXWTJ-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN N#Cc1cc(N)c(F)c(OC(F)(F)F)c1 ZINC000396143610 344617049 /nfs/dbraw/zinc/61/70/49/344617049.db2.gz MTTRGKYHNMPHBP-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN N#Cc1cc(N)c(OC(F)(F)F)c(F)c1 ZINC000396143640 344617050 /nfs/dbraw/zinc/61/70/50/344617050.db2.gz MYXXLFPEKFOWAO-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)Cc1c(O)cc(C#N)cc1Cl ZINC000396143775 344617052 /nfs/dbraw/zinc/61/70/52/344617052.db2.gz BKBNXXOYVLOKCD-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN CCc1cc(CC(=O)OC)cc(C)c1C#N ZINC000396143305 344617132 /nfs/dbraw/zinc/61/71/32/344617132.db2.gz AUZSUCUVJDUSQH-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1cc(OC)c(C#N)cc1Cl ZINC000396144131 344617370 /nfs/dbraw/zinc/61/73/70/344617370.db2.gz CKJCTIYZWLFBQN-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1cc(OC)cc(C#N)c1Cl ZINC000396144123 344617416 /nfs/dbraw/zinc/61/74/16/344617416.db2.gz CGXJPYQFLCPIPG-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)Cc1c(C)cc(O)cc1C ZINC000396090577 344599726 /nfs/dbraw/zinc/59/97/26/344599726.db2.gz ANMXOOCUEATZNJ-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN CCOC(=O)/C=C/c1cccc(C(=O)OC)c1 ZINC000029412172 344600767 /nfs/dbraw/zinc/60/07/67/344600767.db2.gz MUPFPPLHBDFJEO-BQYQJAHWSA-N 0 0 234.251 2.050 10 0 BEAERN COc1ccc(F)c(OC(F)(F)F)c1N ZINC000396100302 344602254 /nfs/dbraw/zinc/60/22/54/344602254.db2.gz DNRBLDSFZSNVDI-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN OCc1cc(OC(F)F)c(C(F)(F)F)cn1 ZINC000396100016 344602363 /nfs/dbraw/zinc/60/23/63/344602363.db2.gz SGTDGYJQPCVCGS-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COc1cc(OC(F)(F)F)cc(N)c1F ZINC000396104058 344602658 /nfs/dbraw/zinc/60/26/58/344602658.db2.gz LFDYULGFXYRFDT-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1cc(F)c(OC(F)(F)F)cc1N ZINC000396104857 344603187 /nfs/dbraw/zinc/60/31/87/344603187.db2.gz NFJNUBMSQIMXNC-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COC(=O)c1cc(F)c(OC(F)F)c(F)c1 ZINC000396104830 344603414 /nfs/dbraw/zinc/60/34/14/344603414.db2.gz NAGOYMMWIVOVBE-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COc1c(F)ccc(N)c1OC(F)(F)F ZINC000396106978 344603506 /nfs/dbraw/zinc/60/35/06/344603506.db2.gz RTPJEWJMZLHEGJ-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COC(=O)c1cncc(C(F)(F)F)c1F ZINC000396113903 344605858 /nfs/dbraw/zinc/60/58/58/344605858.db2.gz ONKHGARAMQQOOJ-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1cc(OC)c(C)cc1C ZINC000396115331 344606399 /nfs/dbraw/zinc/60/63/99/344606399.db2.gz BILMLZMIDKMUFH-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN Nc1c(F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396115600 344606471 /nfs/dbraw/zinc/60/64/71/344606471.db2.gz IDOKRRVNLLICFW-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1ncc(F)cc1C(F)(F)F ZINC000396118047 344607577 /nfs/dbraw/zinc/60/75/77/344607577.db2.gz YETJFPSMOPBHLO-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CN(Cc1cscn1)[C@@H]1CCCCC1=O ZINC000050142167 344649744 /nfs/dbraw/zinc/64/97/44/344649744.db2.gz JURNOEYGUZNFPQ-SNVBAGLBSA-N 0 0 224.329 2.087 10 0 BEAERN Cc1ccc(N(C)C[C@@H]2CCCOC2)c(N)c1 ZINC000104199679 178698216 /nfs/dbraw/zinc/69/82/16/178698216.db2.gz OTXNEXJHKURDDD-LBPRGKRZSA-N 0 0 234.343 2.440 10 0 BEAERN Cn1nc(CCC2CCCC2)[nH]c1=S ZINC000127799732 344654758 /nfs/dbraw/zinc/65/47/58/344654758.db2.gz JDVSMJGQWRPROS-UHFFFAOYSA-N 0 0 211.334 2.227 10 0 BEAERN COCCOc1cnc2ccc([C@@H](C)O)cc2c1 ZINC000113276052 344658673 /nfs/dbraw/zinc/65/86/73/344658673.db2.gz AFUJTGBJJSFASF-SNVBAGLBSA-N 0 0 247.294 2.313 10 0 BEAERN CN(CCCNc1cccnn1)c1ccccc1 ZINC000052815869 344668882 /nfs/dbraw/zinc/66/88/82/344668882.db2.gz VMOFBQVXPKFDLB-UHFFFAOYSA-N 0 0 242.326 2.415 10 0 BEAERN CCCCOc1cc(CO)ccc1C(=O)OC ZINC000113967256 344681732 /nfs/dbraw/zinc/68/17/32/344681732.db2.gz DSYLZQPIJVFYBP-UHFFFAOYSA-N 0 0 238.283 2.144 10 0 BEAERN Cc1ccc(F)cc1[C@H]1NC(=O)[C@H]2CCCCN21 ZINC000182072772 178693802 /nfs/dbraw/zinc/69/38/02/178693802.db2.gz MATIBIIYURNCRD-OLZOCXBDSA-N 0 0 248.301 2.117 10 0 BEAERN Brc1noc(CCc2ccco2)n1 ZINC000158560724 344676479 /nfs/dbraw/zinc/67/64/79/344676479.db2.gz SZPLUBOKNWATPZ-UHFFFAOYSA-N 0 0 243.060 2.210 10 0 BEAERN COc1c(C)ccc(O)c1Br ZINC000215480410 344676881 /nfs/dbraw/zinc/67/68/81/344676881.db2.gz PJOKVFOJCNDRME-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CC[C@H](c1cccc(Cl)c1)S(N)(=O)=O ZINC000050350346 344677546 /nfs/dbraw/zinc/67/75/46/344677546.db2.gz ZPAAQZAINAEHMD-SECBINFHSA-N 0 0 233.720 2.080 10 0 BEAERN CC[C@@H](c1cccc(Cl)c1)S(N)(=O)=O ZINC000050350344 344677727 /nfs/dbraw/zinc/67/77/27/344677727.db2.gz ZPAAQZAINAEHMD-VIFPVBQESA-N 0 0 233.720 2.080 10 0 BEAERN COc1ccc(C)c(Br)c1O ZINC000215481081 344677783 /nfs/dbraw/zinc/67/77/83/344677783.db2.gz ABUJVKXMXBTOJT-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COC(=O)c1cc(Cl)c(OC)cc1C#N ZINC000396147901 344621413 /nfs/dbraw/zinc/62/14/13/344621413.db2.gz YXFXJHPGGPRYNP-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1cc(F)c(C)cc1C#N ZINC000396147926 344621417 /nfs/dbraw/zinc/62/14/17/344621417.db2.gz ZDDMYDAOCRSYEQ-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(O)c1CC ZINC000396147882 344621432 /nfs/dbraw/zinc/62/14/32/344621432.db2.gz YUTMGUMGQYIBBD-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)c1c(C#N)ccc(F)c1C(F)F ZINC000396148169 344621479 /nfs/dbraw/zinc/62/14/79/344621479.db2.gz GQILJYWSAVGHHV-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(C#N)c1OC ZINC000396148822 344622545 /nfs/dbraw/zinc/62/25/45/344622545.db2.gz NGZKHLSARLXVLW-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)c1c(Cl)cc(OC)cc1C#N ZINC000396149454 344622822 /nfs/dbraw/zinc/62/28/22/344622822.db2.gz OHVQKHZDVMCLRM-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN COC(=O)c1ccc(C#N)c(C(F)F)c1F ZINC000396149986 344622856 /nfs/dbraw/zinc/62/28/56/344622856.db2.gz JCYKCFUAVARJOP-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1ccc(C#N)c(C(=O)OC)c1CC ZINC000396150005 344623266 /nfs/dbraw/zinc/62/32/66/344623266.db2.gz JFLZQKMXDXPSCK-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN COC(=O)c1cc(C(F)F)c(F)cc1C#N ZINC000396151128 344623684 /nfs/dbraw/zinc/62/36/84/344623684.db2.gz BVIZPAZUMAKZEZ-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1cc(F)c(C(=O)OC)cc1C#N ZINC000396151191 344624269 /nfs/dbraw/zinc/62/42/69/344624269.db2.gz CDJTUOMSNUKTRN-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1c(C#N)cc(C)cc1CC(=O)OC ZINC000396154926 344626595 /nfs/dbraw/zinc/62/65/95/344626595.db2.gz VCQDZPZEXLBPET-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1ccc(Cl)c(CC(=O)OC)c1C#N ZINC000396155463 344627395 /nfs/dbraw/zinc/62/73/95/344627395.db2.gz HAPCMYSTVNVJKA-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1cc(C)cc(OC)c1C#N ZINC000396156648 344627989 /nfs/dbraw/zinc/62/79/89/344627989.db2.gz SOXXYLMRTGVWJK-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(CC(=O)OC)cc(Cl)c1C#N ZINC000396156985 344628512 /nfs/dbraw/zinc/62/85/12/344628512.db2.gz JJSLIRQVYIEVPP-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)c1ccc(OC(F)F)c(Cl)n1 ZINC000396158213 344629597 /nfs/dbraw/zinc/62/95/97/344629597.db2.gz GSYAOHHRCNKXHF-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCc1c(C(=O)OC)ccc(F)c1C#N ZINC000396169302 344630428 /nfs/dbraw/zinc/63/04/28/344630428.db2.gz YPGCELBINWASHF-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1c(C)cc(C)cc1C#N ZINC000396171194 344630933 /nfs/dbraw/zinc/63/09/33/344630933.db2.gz WEAVPNRARXFDCM-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN CCc1ccc(C#N)c(CC)c1C(=O)OC ZINC000396161248 344633746 /nfs/dbraw/zinc/63/37/46/344633746.db2.gz ZCZQOAMBFSLLTB-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCc1c(Cl)c(C#N)ccc1CC(=O)OC ZINC000396166069 344635867 /nfs/dbraw/zinc/63/58/67/344635867.db2.gz UAZNTWDHGARSLL-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)Cc1cc(C)cc(Cl)c1[N+](=O)[O-] ZINC000396165154 344635929 /nfs/dbraw/zinc/63/59/29/344635929.db2.gz SNWVJQUVWWIOSZ-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1ccc(C#N)c(CC(=O)OC)c1Cl ZINC000396167946 344636841 /nfs/dbraw/zinc/63/68/41/344636841.db2.gz WPYQGBHLYBPQHC-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CC[C@@H](O)c1nc(Br)cs1 ZINC000127754737 344643388 /nfs/dbraw/zinc/64/33/88/344643388.db2.gz IDDVXUMERLXOKO-SCSAIBSYSA-N 0 0 222.107 2.349 10 0 BEAERN CC(=O)[C@@H](C)N1CCc2sccc2C1 ZINC000050132306 344647216 /nfs/dbraw/zinc/64/72/16/344647216.db2.gz NRPPDKGSUDJSSX-MRVPVSSYSA-N 0 0 209.314 2.084 10 0 BEAERN Cc1csc(C[C@@H](O)C(F)(F)Cl)n1 ZINC000158711361 344730551 /nfs/dbraw/zinc/73/05/51/344730551.db2.gz QUZVXOPDEDWMQF-RXMQYKEDSA-N 0 0 227.663 2.187 10 0 BEAERN CC(=O)c1cnc(N2CCC[C@H]2C)s1 ZINC000054861308 344731229 /nfs/dbraw/zinc/73/12/29/344731229.db2.gz VBLSFLDIOOIOTQ-SSDOTTSWSA-N 0 0 210.302 2.334 10 0 BEAERN C[C@H]1CCCCN1c1ncc(C=O)s1 ZINC000054861457 344731280 /nfs/dbraw/zinc/73/12/80/344731280.db2.gz XMPGYYBBNVKION-QMMMGPOBSA-N 0 0 210.302 2.334 10 0 BEAERN O[C@H](Cc1cc(F)ccc1F)C(F)F ZINC000158724992 344733137 /nfs/dbraw/zinc/73/31/37/344733137.db2.gz HMJFXFFWCAMIGA-MRVPVSSYSA-N 0 0 208.154 2.133 10 0 BEAERN CC(=O)c1cnc(N2CCCCC2)s1 ZINC000054861613 344733428 /nfs/dbraw/zinc/73/34/28/344733428.db2.gz KEFBAGAAYDJLJI-UHFFFAOYSA-N 0 0 210.302 2.336 10 0 BEAERN Cc1nnc(-c2cc(C)ccc2N)s1 ZINC000082532358 178702865 /nfs/dbraw/zinc/70/28/65/178702865.db2.gz ZKQGRPYVCAOLDL-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CCNC(=S)N1C[C@H](C)CC[C@H]1C ZINC000127941059 344686531 /nfs/dbraw/zinc/68/65/31/344686531.db2.gz SCLNIHMYUCQNBZ-RKDXNWHRSA-N 0 0 200.351 2.001 10 0 BEAERN Cc1ccc(N)c(NC(=O)C(C)C)c1C ZINC000037504164 178704336 /nfs/dbraw/zinc/70/43/36/178704336.db2.gz XCJVFPHISCXQQY-UHFFFAOYSA-N 0 0 206.289 2.480 10 0 BEAERN CCC(CC)NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000152802396 344697771 /nfs/dbraw/zinc/69/77/71/344697771.db2.gz HDVKUYAISSZAME-JQWIXIFHSA-N 0 0 242.363 2.025 10 0 BEAERN Cc1csc(COc2cccnc2)n1 ZINC000163011305 344700440 /nfs/dbraw/zinc/70/04/40/344700440.db2.gz OSCQNECPMVZUOA-UHFFFAOYSA-N 0 0 206.270 2.426 10 0 BEAERN CCCNC(=O)c1cccc(N)c1Cl ZINC000158639445 344704653 /nfs/dbraw/zinc/70/46/53/344704653.db2.gz HLNDBFLQFMGCOJ-UHFFFAOYSA-N 0 0 212.680 2.062 10 0 BEAERN CN(Cc1cscn1)c1ccnc(F)c1 ZINC000227642697 344709890 /nfs/dbraw/zinc/70/98/90/344709890.db2.gz YESCQANDOOSJKC-UHFFFAOYSA-N 0 0 223.276 2.314 10 0 BEAERN C[C@@H]1CCCN(C2N=NC(=S)S2)[C@@H]1C ZINC000050567062 344711099 /nfs/dbraw/zinc/71/10/99/344711099.db2.gz BHBBWQQUOVESQN-RNFRBKRXSA-N 0 0 229.374 2.452 10 0 BEAERN CC(=O)[C@@H](C)n1nc(C)c(Cl)c1C ZINC000050587281 344715447 /nfs/dbraw/zinc/71/54/47/344715447.db2.gz OMMQSPMKZOAUIE-ZCFIWIBFSA-N 0 0 200.669 2.303 10 0 BEAERN Cc1ccc(N2CCCO[C@H](C)C2)cc1N ZINC000061916828 178712371 /nfs/dbraw/zinc/71/23/71/178712371.db2.gz DTYMZQLKGQFRQS-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN CSc1c(N)nsc1N1CCC[C@H]1C ZINC000235052598 344753947 /nfs/dbraw/zinc/75/39/47/344753947.db2.gz ABXRRJAASNGZEO-ZCFIWIBFSA-N 0 0 229.374 2.436 10 0 BEAERN COc1cc(NC(N)=S)ccc1Cl ZINC000166167209 344754824 /nfs/dbraw/zinc/75/48/24/344754824.db2.gz IWYLHPIFBFTEJN-UHFFFAOYSA-N 0 0 216.693 2.004 10 0 BEAERN CCOC(=O)[C@@H](O)C1=CCC(C)(C)CC1 ZINC000675052734 537859621 /nfs/dbraw/zinc/85/96/21/537859621.db2.gz IIKYCZSBBKEZSI-JTQLQIEISA-N 0 0 212.289 2.047 10 0 BEAERN Cc1ccc(NC(=O)CC2CC2)cc1N ZINC000049728716 178723323 /nfs/dbraw/zinc/72/33/23/178723323.db2.gz SVLWPNYYCZMZFH-UHFFFAOYSA-N 0 0 204.273 2.316 10 0 BEAERN CS[C@@H]1CCC[C@H]1N1C(=S)N=NC1C ZINC000235106110 344789347 /nfs/dbraw/zinc/78/93/47/344789347.db2.gz IBWLMPCGNLCLEG-HTQZYQBOSA-N 0 0 229.374 2.332 10 0 BEAERN CC1(C)CC[C@@H](C[C@@H]2CSCC2=O)O1 ZINC000166208987 344789570 /nfs/dbraw/zinc/78/95/70/344789570.db2.gz HEUDUCYMUIYRKW-BDAKNGLRSA-N 0 0 214.330 2.266 10 0 BEAERN Cc1ccc2c(c1)c(=O)oc(=O)n2CCC(C)C ZINC000033494509 344796270 /nfs/dbraw/zinc/79/62/70/344796270.db2.gz SBUKDGSHJCDKAL-UHFFFAOYSA-N 0 0 247.294 2.309 10 0 BEAERN Cc1nn(-c2cc(C)ccn2)c(N)c1Cl ZINC000043671179 187292946 /nfs/dbraw/zinc/29/29/46/187292946.db2.gz GBZFIPFEQPBMOT-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN CSc1cc(NC2CC(C)C2)ncn1 ZINC000235116255 344801532 /nfs/dbraw/zinc/80/15/32/344801532.db2.gz MLJFGDJCIFGMKB-UHFFFAOYSA-N 0 0 209.318 2.409 10 0 BEAERN COc1cc(Cl)c(C)cc1NC(N)=S ZINC000033508061 344808663 /nfs/dbraw/zinc/80/86/63/344808663.db2.gz RQHDJHOZMRYXOX-UHFFFAOYSA-N 0 0 230.720 2.313 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1N ZINC000019435829 178745016 /nfs/dbraw/zinc/74/50/16/178745016.db2.gz OHBPEWSPJTXJLZ-PSASIEDQSA-N 0 0 204.273 2.172 10 0 BEAERN OC[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC000224104905 344822735 /nfs/dbraw/zinc/82/27/35/344822735.db2.gz ZJXCTMJUCBRULG-LBPRGKRZSA-N 0 0 241.281 2.136 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(N)c1 ZINC000037064633 178745176 /nfs/dbraw/zinc/74/51/76/178745176.db2.gz SMBMZHINCJMFBY-DTWKUNHWSA-N 0 0 204.273 2.172 10 0 BEAERN CC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128795847 192077979 /nfs/dbraw/zinc/07/79/79/192077979.db2.gz LJXTUFQKAHTBDF-CYBMUJFWSA-N 0 0 237.274 2.054 10 0 BEAERN CC[C@@H]1COCCN1C(=O)N[C@H](C)C(C)(C)C ZINC000115827820 537863845 /nfs/dbraw/zinc/86/38/45/537863845.db2.gz YJFMSRDWFJXUDJ-GHMZBOCLSA-N 0 0 242.363 2.241 10 0 BEAERN CC(C)n1cnc(Cl)c(Cl)c1=O ZINC000166299630 344846787 /nfs/dbraw/zinc/84/67/87/344846787.db2.gz SJQAZNXKZZYWEQ-UHFFFAOYSA-N 0 0 207.060 2.131 10 0 BEAERN Cc1oncc1C(=O)Nc1ccc(C)c(N)c1 ZINC000019506435 178754475 /nfs/dbraw/zinc/75/44/75/178754475.db2.gz YJYSVMFKOAMXBE-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000135695550 344853625 /nfs/dbraw/zinc/85/36/25/344853625.db2.gz VYTBNPDBBXETGQ-WXHSDQCUSA-N 0 0 241.290 2.388 10 0 BEAERN C[C@@H]1CC(O)=C(C(=O)C(C)(F)F)[C@@H](C)C1 ZINC000300913192 537868266 /nfs/dbraw/zinc/86/82/66/537868266.db2.gz SBLQGSQJILGIBB-ACLDMZEESA-N 0 0 218.243 2.462 10 0 BEAERN CC(C)(C)CCCn1cccc(N)c1=O ZINC000300875006 537867285 /nfs/dbraw/zinc/86/72/85/537867285.db2.gz NRYDLZMQVCPPTM-UHFFFAOYSA-N 0 0 208.305 2.257 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1CCC(F)(F)C1 ZINC000300873359 537867378 /nfs/dbraw/zinc/86/73/78/537867378.db2.gz LIENWVAYBPRACY-MRVPVSSYSA-N 0 0 215.247 2.209 10 0 BEAERN CS[C@@H]1CCC[C@H]([NH+]2CCC(=O)CC2)C1 ZINC000235200482 344842320 /nfs/dbraw/zinc/84/23/20/344842320.db2.gz FNMIOEMWSJDBIL-CMPLNLGQSA-N 0 0 227.373 2.326 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@@]1([NH2+]C1CC1)C(=O)[O-] ZINC000235267613 344864045 /nfs/dbraw/zinc/86/40/45/344864045.db2.gz FFZODYAVFGXHOU-PELKAZGASA-N 0 0 211.305 2.018 10 0 BEAERN C[C@@H]1C[C@]1(O)c1ccoc1Br ZINC000235279504 344870722 /nfs/dbraw/zinc/87/07/22/344870722.db2.gz JETPMBSHAFZYHI-SVGQVSJJSA-N 0 0 217.062 2.270 10 0 BEAERN C[C@@H]1CC(CNc2ccncc2F)C[C@@H](C)O1 ZINC000641551442 362496055 /nfs/dbraw/zinc/49/60/55/362496055.db2.gz HBHNFGFZICSZHF-NXEZZACHSA-N 0 0 238.306 2.258 10 0 BEAERN CC(C)(C)CCCn1ccc(=O)c(N)c1 ZINC000300912883 537868804 /nfs/dbraw/zinc/86/88/04/537868804.db2.gz SEQFLYQPCGQXGH-UHFFFAOYSA-N 0 0 208.305 2.257 10 0 BEAERN CSc1c(N)nsc1N1CCC[C@@H]1C ZINC000235302023 344879215 /nfs/dbraw/zinc/87/92/15/344879215.db2.gz ABXRRJAASNGZEO-LURJTMIESA-N 0 0 229.374 2.436 10 0 BEAERN CC(C)(C)n1cc(N)c(-c2ccco2)n1 ZINC000135755554 344882960 /nfs/dbraw/zinc/88/29/60/344882960.db2.gz QBEOAPGWPKDLPW-UHFFFAOYSA-N 0 0 205.261 2.480 10 0 BEAERN CC[C@@H]1CCN(c2ccc(C=O)cn2)C1 ZINC000166388484 344883352 /nfs/dbraw/zinc/88/33/52/344883352.db2.gz LBKWHDIRNRJBJM-SNVBAGLBSA-N 0 0 204.273 2.130 10 0 BEAERN C[C@@H]1OCC[C@@H]1S[C@H]1CCCC[C@@H]1O ZINC000235330914 344887349 /nfs/dbraw/zinc/88/73/49/344887349.db2.gz VDORXFQXKQKWLH-NAKRPEOUSA-N 0 0 216.346 2.201 10 0 BEAERN COc1cccc2c1ccn2CC(C)=O ZINC000166401187 344888193 /nfs/dbraw/zinc/88/81/93/344888193.db2.gz GKZAJWADQDQMBG-UHFFFAOYSA-N 0 0 203.241 2.239 10 0 BEAERN C[C@@H]1C[C@H](C)n2ncc(Br)c2N1 ZINC000235362782 344894395 /nfs/dbraw/zinc/89/43/95/344894395.db2.gz WQMHZJGUENTWJW-RITPCOANSA-N 0 0 230.109 2.411 10 0 BEAERN C[C@@H]1CCN(c2cccc(F)c2C=O)C1 ZINC000235367820 344894982 /nfs/dbraw/zinc/89/49/82/344894982.db2.gz BCRWVOGMPZESIN-SECBINFHSA-N 0 0 207.248 2.484 10 0 BEAERN C[C@H]1C[C@H]1C(=O)c1cnc2cc[nH]cc1-2 ZINC000166470873 344902955 /nfs/dbraw/zinc/90/29/55/344902955.db2.gz MSBYGZAXGMJOIS-JGVFFNPUSA-N 0 0 200.241 2.402 10 0 BEAERN C[C@@H]1C[C@H](Nc2cnnc(Cl)c2)CCO1 ZINC000235414690 344906461 /nfs/dbraw/zinc/90/64/61/344906461.db2.gz DOGDZAZMRVGGMS-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN CC[C@H]1CCN(c2nc(Cl)nnc2Cl)C1 ZINC000166494187 344909009 /nfs/dbraw/zinc/90/90/09/344909009.db2.gz FXOGHDWBDUFZSO-LURJTMIESA-N 0 0 247.129 2.415 10 0 BEAERN C[C@H](O)C(=O)Cc1csc2ccccc12 ZINC000235542884 344937221 /nfs/dbraw/zinc/93/72/21/344937221.db2.gz GUYBAJFHJPAKLQ-QMMMGPOBSA-N 0 0 220.293 2.394 10 0 BEAERN Nc1ccn(Cc2ccc(Cl)cc2F)n1 ZINC000067800400 537875465 /nfs/dbraw/zinc/87/54/65/537875465.db2.gz VEKBECRZKDAVRA-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN C[C@H](O)C(=O)c1cc(F)ccc1Cl ZINC000235543865 344937422 /nfs/dbraw/zinc/93/74/22/344937422.db2.gz WBLFXXUSYIBWQZ-YFKPBYRVSA-N 0 0 202.612 2.043 10 0 BEAERN C[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C1CCCC1 ZINC000235634879 344960273 /nfs/dbraw/zinc/96/02/73/344960273.db2.gz PYOIGSSHCVOJJY-VHSXEESVSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1n[nH]c(C)c1N[C@@H]1CCS[C@@H]1C ZINC000235653613 344971505 /nfs/dbraw/zinc/97/15/05/344971505.db2.gz LHAFJUYXYOFHSV-RKDXNWHRSA-N 0 0 211.334 2.332 10 0 BEAERN Cc1nnc(Sc2ccc(F)cc2N)o1 ZINC000051037575 187296960 /nfs/dbraw/zinc/29/69/60/187296960.db2.gz VWGVOWOUULLFJU-UHFFFAOYSA-N 0 0 225.248 2.251 10 0 BEAERN CCC1=Cc2cccc(OC)c2O[C@@H]1O ZINC000211673986 168508446 /nfs/dbraw/zinc/50/84/46/168508446.db2.gz QSUDYSPCCCXTEI-LBPRGKRZSA-N 0 0 206.241 2.199 10 0 BEAERN C[C@H]1CC(C)(C)C[C@]1(CC(=O)[O-])[NH+](C)C ZINC000235596227 344950501 /nfs/dbraw/zinc/95/05/01/344950501.db2.gz NHNCBGMPNNPCFS-CABZTGNLSA-N 0 0 213.321 2.218 10 0 BEAERN O[C@@H](Cc1c(F)cccc1F)C(F)F ZINC000166656819 344951686 /nfs/dbraw/zinc/95/16/86/344951686.db2.gz VPZGHOMPNJFFJD-QMMMGPOBSA-N 0 0 208.154 2.133 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cnccc1Cl ZINC000166655347 344951848 /nfs/dbraw/zinc/95/18/48/344951848.db2.gz VCYDRRUODVSAPG-IONNQARKSA-N 0 0 212.680 2.324 10 0 BEAERN Nc1cccc2c1CN(c1ccc(CO)cc1)C2 ZINC000011730993 344987164 /nfs/dbraw/zinc/98/71/64/344987164.db2.gz WWPVGBZKSGDXFW-UHFFFAOYSA-N 0 0 240.306 2.281 10 0 BEAERN CC[C@H](C)c1ncnc(Br)n1 ZINC000238283405 345011899 /nfs/dbraw/zinc/01/18/99/345011899.db2.gz JKJGNMKJGHAMNN-YFKPBYRVSA-N 0 0 216.082 2.148 10 0 BEAERN O=C(Cc1cncs1)c1ccncc1F ZINC000166731746 345000797 /nfs/dbraw/zinc/00/07/97/345000797.db2.gz GUEUZJKOBNIFDP-UHFFFAOYSA-N 0 0 222.244 2.103 10 0 BEAERN Cc1nnc([C@H](NC(C)C)c2ccccc2)[nH]1 ZINC000154161474 345015146 /nfs/dbraw/zinc/01/51/46/345015146.db2.gz ULWBPRKSZDFWIR-GFCCVEGCSA-N 0 0 230.315 2.201 10 0 BEAERN C[C@H]1OCC[C@H]1Sc1nccnc1Cl ZINC000235676238 345020338 /nfs/dbraw/zinc/02/03/38/345020338.db2.gz HSTSNFWQSCWGEZ-RNFRBKRXSA-N 0 0 230.720 2.400 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCCF ZINC000154194181 345020445 /nfs/dbraw/zinc/02/04/45/345020445.db2.gz QBDHOXQRXRZCDR-BXKDBHETSA-N 0 0 237.274 2.027 10 0 BEAERN CC(C)(C)C(=O)OCc1cccc(O)c1 ZINC000145990687 345021169 /nfs/dbraw/zinc/02/11/69/345021169.db2.gz DAMOYIHPAZPGAU-UHFFFAOYSA-N 0 0 208.257 2.482 10 0 BEAERN COC(=O)c1cnc(Cl)c(C(F)F)c1 ZINC000238330163 345023306 /nfs/dbraw/zinc/02/33/06/345023306.db2.gz NFRDHWVNTMYSGX-UHFFFAOYSA-N 0 0 221.590 2.459 10 0 BEAERN COc1cncc(C)c1OC(F)(F)F ZINC000238345397 345026683 /nfs/dbraw/zinc/02/66/83/345026683.db2.gz KUNSHLPDIXPPFM-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1ccc(OC(F)(F)F)nc1C ZINC000238384794 345037518 /nfs/dbraw/zinc/03/75/18/345037518.db2.gz WPFYADLALAJRNZ-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN Cc1ccc(O[C@H](C)C(N)=S)c(C)c1 ZINC000041218965 178819049 /nfs/dbraw/zinc/81/90/49/178819049.db2.gz BZMVASCAWLMLGC-SECBINFHSA-N 0 0 209.314 2.357 10 0 BEAERN FC(F)c1cncc(OC(F)(F)F)n1 ZINC000238560302 345078358 /nfs/dbraw/zinc/07/83/58/345078358.db2.gz GNSCGNTULJZNIO-UHFFFAOYSA-N 0 0 214.093 2.313 10 0 BEAERN Cc1ccc(Oc2ccc(C(N)=O)cc2)c(N)c1 ZINC000037401570 178819857 /nfs/dbraw/zinc/81/98/57/178819857.db2.gz QQUDFKVAKFDMBA-UHFFFAOYSA-N 0 0 242.278 2.468 10 0 BEAERN Cc1ccc(O[C@H]2CCC[C@@H]2O)c([C@H](C)O)c1 ZINC000037690708 178820005 /nfs/dbraw/zinc/82/00/05/178820005.db2.gz QAOZUXVRVUKJJU-JKOKRWQUSA-N 0 0 236.311 2.341 10 0 BEAERN Ic1cncc2cc[nH]c21 ZINC000238587290 345083218 /nfs/dbraw/zinc/08/32/18/345083218.db2.gz ACEQNWHXIUYCJF-UHFFFAOYSA-N 0 0 244.035 2.168 10 0 BEAERN Cc1ccnc(OC(F)(F)F)c1C=O ZINC000238472411 345054517 /nfs/dbraw/zinc/05/45/17/345054517.db2.gz OCCVUUQQILXQQT-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(N2CC[C@@H](CO)C2)cc1C ZINC000011892787 345055613 /nfs/dbraw/zinc/05/56/13/345055613.db2.gz CFFSFKOJZIGZNB-GFCCVEGCSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1ccc(Oc2ncc(N)cn2)c(C)c1 ZINC000040455922 178822056 /nfs/dbraw/zinc/82/20/56/178822056.db2.gz ADBZFWYVOLPQRY-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1nccc(OC(F)(F)F)c1C=O ZINC000238491447 345059173 /nfs/dbraw/zinc/05/91/73/345059173.db2.gz SBMVSUVTVOKQJF-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN OCc1cc(C(F)(F)F)ncc1Cl ZINC000238715726 345115952 /nfs/dbraw/zinc/11/59/52/345115952.db2.gz YZPXJMXNOJGWKB-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN OCc1ccc(OC(F)F)cc1Cl ZINC000238726782 345121412 /nfs/dbraw/zinc/12/14/12/345121412.db2.gz KIDYQXGJVNZULD-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN OCc1ccnc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000641648462 362574682 /nfs/dbraw/zinc/57/46/82/362574682.db2.gz KKESAZPKTRBWHQ-QJPTWQEYSA-N 0 0 218.300 2.174 10 0 BEAERN Nc1cncc(Cl)c1OC(F)(F)F ZINC000238605913 345090302 /nfs/dbraw/zinc/09/03/02/345090302.db2.gz KVKSSDVULKMXFW-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN [NH3+][C@H](CC(F)(F)F)c1ccc(F)cn1 ZINC000238606900 345091398 /nfs/dbraw/zinc/09/13/98/345091398.db2.gz ISUJAWCIRHRXGO-ZCFIWIBFSA-N 0 0 208.158 2.173 10 0 BEAERN Nc1c(Br)cncc1C(F)(F)F ZINC000238635820 345098429 /nfs/dbraw/zinc/09/84/29/345098429.db2.gz JXVAWFHSQWZYKG-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN Fc1cnccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000641648997 362576571 /nfs/dbraw/zinc/57/65/71/362576571.db2.gz VKUPUJHAGVLFMW-IQJOONFLSA-N 0 0 206.264 2.243 10 0 BEAERN OCc1nccc(Cl)c1OC(F)(F)F ZINC000238666258 345105108 /nfs/dbraw/zinc/10/51/08/345105108.db2.gz ICEKYURLVHFFNT-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN CC(C)(C)[S@@](=O)CCc1ccccc1N ZINC000052919286 187300593 /nfs/dbraw/zinc/30/05/93/187300593.db2.gz QCZDNYVMRROQTQ-OAHLLOKOSA-N 0 0 225.357 2.359 10 0 BEAERN CSCCCCNC(=O)[C@H](C)OCC1CC1 ZINC000126212119 345110772 /nfs/dbraw/zinc/11/07/72/345110772.db2.gz JQLWPTPAINHVDM-JTQLQIEISA-N 0 0 245.388 2.061 10 0 BEAERN Nc1cc(OC(F)(F)F)cnc1Cl ZINC000238705019 345113838 /nfs/dbraw/zinc/11/38/38/345113838.db2.gz MHDIGWZKKCGWBH-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Cc1ccc(Br)c([C@H](C)NN)c1 ZINC000127222603 345165189 /nfs/dbraw/zinc/16/51/89/345165189.db2.gz QGUYKDLPRUVFAV-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN Clc1cc(N2CCCOCC2)c(Cl)nn1 ZINC000127248524 345167901 /nfs/dbraw/zinc/16/79/01/345167901.db2.gz CXEVLKNBQFZWHB-UHFFFAOYSA-N 0 0 248.113 2.010 10 0 BEAERN Clc1cc(SC2COC2)c(Cl)nn1 ZINC000127287164 345171195 /nfs/dbraw/zinc/17/11/95/345171195.db2.gz MFABAGUNFGIHLH-UHFFFAOYSA-N 0 0 237.111 2.274 10 0 BEAERN C[C@@H]1CCN(c2ncc(Cl)cc2N)C1 ZINC000148063922 345225929 /nfs/dbraw/zinc/22/59/29/345225929.db2.gz QSPFFLROGOMHPU-SSDOTTSWSA-N 0 0 211.696 2.163 10 0 BEAERN C[C@H]1CCCN1c1ncc(Cl)cc1N ZINC000148060656 345226207 /nfs/dbraw/zinc/22/62/07/345226207.db2.gz LAUDXQTYFKPGLS-ZETCQYMHSA-N 0 0 211.696 2.306 10 0 BEAERN CSc1ncc2ccc(=O)n(C(C)C)c2n1 ZINC000001017285 187301199 /nfs/dbraw/zinc/30/11/99/187301199.db2.gz KRGGWBVWKGHIOM-UHFFFAOYSA-N 0 0 235.312 2.094 10 0 BEAERN COc1cc(C)c(Br)c(N)c1 ZINC000146076751 345234770 /nfs/dbraw/zinc/23/47/70/345234770.db2.gz STYOEGNLKFBNDA-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)C(C)C)c1O ZINC000020304732 323084743 /nfs/dbraw/zinc/08/47/43/323084743.db2.gz QVKLDKRVNZQYNP-SNVBAGLBSA-N 0 0 221.300 2.475 10 0 BEAERN O=C1N=NC(c2ccc3c(c2)CCCN3)CS1 ZINC000167243394 345215154 /nfs/dbraw/zinc/21/51/54/345215154.db2.gz AXMBOWAUNLLCLQ-UHFFFAOYSA-N 0 0 247.323 2.205 10 0 BEAERN O=C(N[C@H]1CCC[C@@H](O)C1)C1CCC=CCC1 ZINC000635350027 345318269 /nfs/dbraw/zinc/31/82/69/345318269.db2.gz ONUZQZDRSKLDGS-QWHCGFSZSA-N 0 0 237.343 2.153 10 0 BEAERN CC1=[N+]([O-])[C@@H](c2ccccc2)N(O)C1(C)C ZINC000148111285 345258050 /nfs/dbraw/zinc/25/80/50/345258050.db2.gz MVOBMFOYLOQPKS-LLVKDONJSA-N 0 0 221.280 2.031 10 0 BEAERN Clc1nnc(Cc2ccsc2)o1 ZINC000157786068 345281671 /nfs/dbraw/zinc/28/16/71/345281671.db2.gz WPDZBKGKDZROEB-UHFFFAOYSA-N 0 0 200.650 2.375 10 0 BEAERN CSCCNc1ncc(Cl)cc1N ZINC000148205554 345322512 /nfs/dbraw/zinc/32/25/12/345322512.db2.gz XFPVXJJQYYRQID-UHFFFAOYSA-N 0 0 217.725 2.092 10 0 BEAERN CSCC(=O)NCc1ccc(C)s1 ZINC000049071221 345293292 /nfs/dbraw/zinc/29/32/92/345293292.db2.gz VRFGBRCULDLHKD-UHFFFAOYSA-N 0 0 215.343 2.036 10 0 BEAERN CSCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000158341137 345324137 /nfs/dbraw/zinc/32/41/37/345324137.db2.gz RKGGMQMWQVLZLV-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN Cc1c(-c2ccccc2)sc(N)c1C(N)=O ZINC000101865947 187301824 /nfs/dbraw/zinc/30/18/24/187301824.db2.gz VVEIAPHVYHWZDE-UHFFFAOYSA-N 0 0 232.308 2.405 10 0 BEAERN CNc1ccc(C)cc1C(=O)NC(C)C ZINC000053000141 187301836 /nfs/dbraw/zinc/30/18/36/187301836.db2.gz XNCGGCPZOPLLCA-UHFFFAOYSA-N 0 0 206.289 2.175 10 0 BEAERN C=Cc1nc(-c2ccncc2CC)no1 ZINC000132761830 345343038 /nfs/dbraw/zinc/34/30/38/345343038.db2.gz KAJDDYLTHXLDCI-UHFFFAOYSA-N 0 0 201.229 2.337 10 0 BEAERN CC[NH+](CC)CCC1(C(=O)[O-])CCCC1 ZINC000168753913 345386402 /nfs/dbraw/zinc/38/64/02/345386402.db2.gz IVYHCUWUVOKFDW-UHFFFAOYSA-N 0 0 213.321 2.363 10 0 BEAERN Cc1ccc([C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000040173701 178870766 /nfs/dbraw/zinc/87/07/66/178870766.db2.gz QAFCTBMFTKLAQO-LLVKDONJSA-N 0 0 208.282 2.021 10 0 BEAERN c1nc2ncnc(N3CC[C@H]4CCCC[C@@H]43)c2[nH]1 ZINC000080985316 345458372 /nfs/dbraw/zinc/45/83/72/345458372.db2.gz LMNWUVDBNADKOW-ZJUUUORDSA-N 0 0 243.314 2.122 10 0 BEAERN COc1ccc2c(c1)[C@H](O)c1cccnc1CO2 ZINC000167316055 345577850 /nfs/dbraw/zinc/57/78/50/345577850.db2.gz LEKXLSBVHUDJAX-CQSZACIVSA-N 0 0 243.262 2.064 10 0 BEAERN Cc1ccc([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]2)cc1C ZINC000082366581 178873481 /nfs/dbraw/zinc/87/34/81/178873481.db2.gz FIILFHCJAIWFRF-RYUDHWBXSA-N 0 0 219.284 2.181 10 0 BEAERN Nc1c[nH+]c2ccccc2c1N1CCCC1 ZINC000040539507 187307380 /nfs/dbraw/zinc/30/73/80/187307380.db2.gz BYIZEOQWPJAZDP-UHFFFAOYSA-N 0 0 213.284 2.417 10 0 BEAERN CSc1ccc(N[C@H](C)[C@H]2CCCO2)nn1 ZINC000091427595 345592483 /nfs/dbraw/zinc/59/24/83/345592483.db2.gz UDHMFEGTCCHQCT-RKDXNWHRSA-N 0 0 239.344 2.178 10 0 BEAERN O[C@H]1CCCC[C@@H]1n1nccc1Br ZINC000137313876 345604936 /nfs/dbraw/zinc/60/49/36/345604936.db2.gz NCHMPDNXOXRSMX-YUMQZZPRSA-N 0 0 245.120 2.122 10 0 BEAERN CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000015061766 187309202 /nfs/dbraw/zinc/30/92/02/187309202.db2.gz IQUIXRQHCOLTGL-UHFFFAOYSA-N 0 0 216.284 2.421 10 0 BEAERN C[C@H]1CC[C@H]1Nc1ncc(Br)cn1 ZINC000114787033 345676090 /nfs/dbraw/zinc/67/60/90/345676090.db2.gz OFYADMQOPCQSRI-POYBYMJQSA-N 0 0 242.120 2.450 10 0 BEAERN Cc1ccc([C@H](CC(=O)[O-])[NH+](C)C)cc1 ZINC000057494700 178902297 /nfs/dbraw/zinc/90/22/97/178902297.db2.gz MLICBQKURBSWKT-NSHDSACASA-N 0 0 207.273 2.072 10 0 BEAERN Cc1cc(N)nn1CCC(C)(C)C1CC1 ZINC000405983091 537906910 /nfs/dbraw/zinc/90/69/10/537906910.db2.gz DDDUHSANGSFESM-UHFFFAOYSA-N 0 0 207.321 2.430 10 0 BEAERN C[C@H]1Oc2cc(Br)c(F)cc2[C@@H]1O ZINC000137741344 345692279 /nfs/dbraw/zinc/69/22/79/345692279.db2.gz JCDLGGFARTYXRS-ALFREKQPSA-N 0 0 247.063 2.403 10 0 BEAERN O=C1c2ccccc2[C@@H]2CCCC[C@]12O ZINC000032235407 345739758 /nfs/dbraw/zinc/73/97/58/345739758.db2.gz YLKYOXWOMDMXRO-WCQYABFASA-N 0 0 202.253 2.272 10 0 BEAERN COC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000113828275 345754940 /nfs/dbraw/zinc/75/49/40/345754940.db2.gz NKKKHHGOLLZXLN-GFCCVEGCSA-N 0 0 220.268 2.449 10 0 BEAERN OC1(c2cc3nccnc3o2)CCCCC1 ZINC000205761534 345756885 /nfs/dbraw/zinc/75/68/85/345756885.db2.gz CBMXWLCMMRCCPN-UHFFFAOYSA-N 0 0 218.256 2.375 10 0 BEAERN COc1ccc2c(ccnc2C(C)=O)c1 ZINC000082778709 345758429 /nfs/dbraw/zinc/75/84/29/345758429.db2.gz NNAJTVPEGYHPFK-UHFFFAOYSA-N 0 0 201.225 2.446 10 0 BEAERN c1nn(-c2cccnc2)cc1-c1ccccn1 ZINC000034371185 345822932 /nfs/dbraw/zinc/82/29/32/345822932.db2.gz NSVSMFPAARLLMH-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN C/C=C/[C@H](O)P(=O)(OCC)OCC ZINC000136174809 345807703 /nfs/dbraw/zinc/80/77/03/345807703.db2.gz WYCUHXNBRUWSFL-RXLGXGPVSA-N 0 0 208.194 2.147 10 0 BEAERN CC(=O)[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000034082894 345816116 /nfs/dbraw/zinc/81/61/16/345816116.db2.gz ODRQWMLXAJNRGN-AWEZNQCLSA-N 0 0 241.290 2.073 10 0 BEAERN CCOC(=O)[C@H]1CCc2ccccc2N1C ZINC000034135285 345818006 /nfs/dbraw/zinc/81/80/06/345818006.db2.gz LEHOBOBILRSUGZ-GFCCVEGCSA-N 0 0 219.284 2.001 10 0 BEAERN O=C(CO)O[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000034146834 345818254 /nfs/dbraw/zinc/81/82/54/345818254.db2.gz YABDRNQRCVOCDW-QWHCGFSZSA-N 0 0 234.295 2.248 10 0 BEAERN O=c1c2cnccc2oc2c1CCCC2 ZINC000034153354 345818336 /nfs/dbraw/zinc/81/83/36/345818336.db2.gz NCLAPCBUKJVZSZ-UHFFFAOYSA-N 0 0 201.225 2.067 10 0 BEAERN CC(=O)C1=C(O)CC[C@H](c2ccncc2)C1 ZINC000034152532 345818349 /nfs/dbraw/zinc/81/83/49/345818349.db2.gz HWHKJOULOUZDEU-RYUDHWBXSA-N 0 0 217.268 2.123 10 0 BEAERN COC(=O)C(C)(C)C(=O)Cc1cccc(C)c1 ZINC000034182186 345819002 /nfs/dbraw/zinc/81/90/02/345819002.db2.gz CMBKZPJHCUHVMS-UHFFFAOYSA-N 0 0 234.295 2.306 10 0 BEAERN OC[C@H]1CCn2c(cc3ccccc32)C1 ZINC000034216872 345819516 /nfs/dbraw/zinc/81/95/16/345819516.db2.gz FTNSMTLJHGYOIV-JTQLQIEISA-N 0 0 201.269 2.196 10 0 BEAERN COC(=O)/C(=C/c1ccc(C)cc1)C(C)=O ZINC000034286679 345820813 /nfs/dbraw/zinc/82/08/13/345820813.db2.gz OYWKUYRZUJUTQB-XYOKQWHBSA-N 0 0 218.252 2.140 10 0 BEAERN Cn1nccc1-c1cc(C=O)ccc1F ZINC000069020267 345779221 /nfs/dbraw/zinc/77/92/21/345779221.db2.gz LYVOBFWRDAYPPV-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CCCCC(=O)N1CCS[C@@H](C)C1 ZINC000171573260 345793149 /nfs/dbraw/zinc/79/31/49/345793149.db2.gz FXWXGQYHAWUQGE-VIFPVBQESA-N 0 0 201.335 2.141 10 0 BEAERN CCCC[C@@H](O)C(=O)OCc1ccccc1 ZINC000034354131 345822203 /nfs/dbraw/zinc/82/22/03/345822203.db2.gz QTQPZUMJJBQJOK-GFCCVEGCSA-N 0 0 222.284 2.281 10 0 BEAERN COC(=O)Cc1nc2cccc(OC)c2s1 ZINC000309503558 347088156 /nfs/dbraw/zinc/08/81/56/347088156.db2.gz OLMHYBRPYNGTBJ-UHFFFAOYSA-N 0 0 237.280 2.020 10 0 BEAERN C/C=C/C(=O)OCc1ccc(OC)cc1 ZINC000034808969 345842425 /nfs/dbraw/zinc/84/24/25/345842425.db2.gz LAQIXNDRSOLATB-ONEGZZNKSA-N 0 0 206.241 2.315 10 0 BEAERN C[C@H](COS(C)(=O)=O)c1cccc(Cl)c1 ZINC000221584327 345863801 /nfs/dbraw/zinc/86/38/01/345863801.db2.gz JYUDZVPPLCNCHS-MRVPVSSYSA-N 0 0 248.731 2.420 10 0 BEAERN CCOC(=O)COc1ccc2[nH]ccc2c1 ZINC000035065277 345848700 /nfs/dbraw/zinc/84/87/00/345848700.db2.gz RXKDPQQQLAGCDX-UHFFFAOYSA-N 0 0 219.240 2.110 10 0 BEAERN O=C([O-])c1ccccc1CCC[n+]1ccccc1 ZINC000035065232 345849336 /nfs/dbraw/zinc/84/93/36/345849336.db2.gz KWWZWTBGNVSRLN-UHFFFAOYSA-O 0 0 242.298 2.305 10 0 BEAERN CCOP(=O)(/C=C/[C@@H](C)O)OCC ZINC000140263460 345852889 /nfs/dbraw/zinc/85/28/89/345852889.db2.gz XCYXLCYTXXNGBM-HYDMIIDASA-N 0 0 208.194 2.147 10 0 BEAERN Nc1cc(CO)cc(C(F)(F)C(F)(F)F)c1 ZINC000219011645 345855736 /nfs/dbraw/zinc/85/57/36/345855736.db2.gz JCGYZEAIVGDOMJ-UHFFFAOYSA-N 0 0 241.159 2.415 10 0 BEAERN CC(=O)SCCCNC(=O)OC(C)(C)C ZINC000140666686 345857147 /nfs/dbraw/zinc/85/71/47/345857147.db2.gz CSCHGYMVZGKTCI-UHFFFAOYSA-N 0 0 233.333 2.181 10 0 BEAERN CC(=O)C1=C(O)CC[C@H](c2ccccn2)C1 ZINC000140857308 345858558 /nfs/dbraw/zinc/85/85/58/345858558.db2.gz YTIBMSSCVFJZRV-QWRGUYRKSA-N 0 0 217.268 2.123 10 0 BEAERN CCOC(=O)[C@H]1C[C@H]1c1ccccc1OC ZINC000140780638 345858603 /nfs/dbraw/zinc/85/86/03/345858603.db2.gz DXSIVBWICLKCAB-QWRGUYRKSA-N 0 0 220.268 2.362 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C)c(OC)c1 ZINC000141222748 345859950 /nfs/dbraw/zinc/85/99/50/345859950.db2.gz GXYZKIVVHIUYHM-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN N#CN1CCc2cccc3c2[C@H](CCC3)C1 ZINC000034373831 345824467 /nfs/dbraw/zinc/82/44/67/345824467.db2.gz UDLZEDXPTPSTRO-CYBMUJFWSA-N 0 0 212.296 2.446 10 0 BEAERN COC(=O)C=CNc1ccc(Cl)cc1 ZINC000142359880 345862951 /nfs/dbraw/zinc/86/29/51/345862951.db2.gz DDXNGSVBEMDGRM-SREVYHEPSA-N 0 0 211.648 2.439 10 0 BEAERN COC(=O)CCC[C@H]1c2ccccc2NC1=O ZINC000034412446 345827195 /nfs/dbraw/zinc/82/71/95/345827195.db2.gz VRZWEKLYJMOHQJ-JTQLQIEISA-N 0 0 233.267 2.066 10 0 BEAERN CSCc1nc(C)c(C(C)C)c(=O)[nH]1 ZINC000061688289 345827717 /nfs/dbraw/zinc/82/77/17/345827717.db2.gz CVRZBSMVNODLTM-UHFFFAOYSA-N 0 0 212.318 2.065 10 0 BEAERN CC[C@H](C(=O)OC)c1ccc(C(=O)OC)cc1 ZINC000034506777 345830273 /nfs/dbraw/zinc/83/02/73/345830273.db2.gz HVOZQRMQZWRPSP-NSHDSACASA-N 0 0 236.267 2.140 10 0 BEAERN Nc1nccc2c1cccc2-c1ccc(=O)[nH]c1 ZINC000034584126 345834048 /nfs/dbraw/zinc/83/40/48/345834048.db2.gz MANBWPXVGMKSGN-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN COCc1cn2cc(Br)ccc2n1 ZINC000034466075 345834718 /nfs/dbraw/zinc/83/47/18/345834718.db2.gz DCQZNCBLJMZLKK-UHFFFAOYSA-N 0 0 241.088 2.243 10 0 BEAERN CCN(CC)[S@](=O)c1ccc(C)cc1 ZINC000034481705 345835127 /nfs/dbraw/zinc/83/51/27/345835127.db2.gz BIUBQOVFJWRWOC-AWEZNQCLSA-N 0 0 211.330 2.359 10 0 BEAERN CSc1nc(C)cc(=O)n1-c1ccccc1 ZINC000034485406 345835771 /nfs/dbraw/zinc/83/57/71/345835771.db2.gz GPFHJDDZKIADGL-UHFFFAOYSA-N 0 0 232.308 2.263 10 0 BEAERN CC(=O)[C@@](O)(c1ccccc1)C1CCC1 ZINC000034616483 345837539 /nfs/dbraw/zinc/83/75/39/345837539.db2.gz CRGLVYGCZFRDDV-CYBMUJFWSA-N 0 0 204.269 2.263 10 0 BEAERN CCSc1nc2c(c(=O)[nH]1)CS[C@H]2C ZINC000143390638 345865622 /nfs/dbraw/zinc/86/56/22/345865622.db2.gz SOXJPKLYDSRGKF-YFKPBYRVSA-N 0 0 228.342 2.190 10 0 BEAERN CCOC(=O)/C=C/[C@@H](C)[NH2+]Cc1ccccc1 ZINC000143507977 345866129 /nfs/dbraw/zinc/86/61/29/345866129.db2.gz NCHVQJOWFMPMDV-BZYZDCJZSA-N 0 0 233.311 2.284 10 0 BEAERN COC(=O)c1cccc2[nH]c(SC)nc21 ZINC000143653907 345866394 /nfs/dbraw/zinc/86/63/94/345866394.db2.gz WEKXACUYHXDDBD-UHFFFAOYSA-N 0 0 222.269 2.071 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccnc2ccncc21 ZINC000186761264 187311807 /nfs/dbraw/zinc/31/18/07/187311807.db2.gz UAEMBPXNXSUOCC-JTQLQIEISA-N 0 0 243.310 2.404 10 0 BEAERN Cc1cc(F)ccc1C(=O)CC1OCCO1 ZINC000235810373 345916267 /nfs/dbraw/zinc/91/62/67/345916267.db2.gz WMJNAEHUZYFCMY-UHFFFAOYSA-N 0 0 224.231 2.080 10 0 BEAERN CCOC(=O)C1=C(O)C2(CCCC2)CC1 ZINC000307045704 537920254 /nfs/dbraw/zinc/92/02/54/537920254.db2.gz WMULSTYRCCOBPD-SECBINFHSA-N 0 0 210.273 2.089 10 0 BEAERN COc1c(O)cc(C)cc1Br ZINC000136180797 345953746 /nfs/dbraw/zinc/95/37/46/345953746.db2.gz DJQLYYJJNRHLJO-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN Cc1ccc(N)c(Sc2ncc[nH]2)c1 ZINC000235894890 345958540 /nfs/dbraw/zinc/95/85/40/345958540.db2.gz WTUSHAVVYVMMKT-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000188432599 187312511 /nfs/dbraw/zinc/31/25/11/187312511.db2.gz XJYCZAJIELQBNO-ISVAXAHUSA-N 0 0 246.310 2.092 10 0 BEAERN NC(=S)c1cc(NCc2ccccc2)ccn1 ZINC000061811904 345952073 /nfs/dbraw/zinc/95/20/73/345952073.db2.gz QASCYYXWFPYHLB-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN C[C@H]1C[C@H]1Cn1ncc2ccc(N)cc21 ZINC000722664564 537928349 /nfs/dbraw/zinc/92/83/49/537928349.db2.gz KCVRBXBIITUHIW-WPRPVWTQSA-N 0 0 201.273 2.275 10 0 BEAERN COC(OC)[C@H]1CCCCC(C)(C)C1=O ZINC000719285719 537931248 /nfs/dbraw/zinc/93/12/48/537931248.db2.gz NQRAKLYOUMGSNZ-VIFPVBQESA-N 0 0 214.305 2.391 10 0 BEAERN CC(=O)Oc1ccc(C(=O)C(C)C)cc1 ZINC000034741293 346035370 /nfs/dbraw/zinc/03/53/70/346035370.db2.gz IRAGMOAGQXUCKK-UHFFFAOYSA-N 0 0 206.241 2.451 10 0 BEAERN CCC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000300577606 346035976 /nfs/dbraw/zinc/03/59/76/346035976.db2.gz XUXSCKSZHQWICA-JGPRNRPPSA-N 0 0 207.317 2.339 10 0 BEAERN CC(C)N1C(=O)CC2(CCCCC2)CC1=O ZINC000095857046 346076277 /nfs/dbraw/zinc/07/62/77/346076277.db2.gz QXBDCDDGWCJXGQ-UHFFFAOYSA-N 0 0 223.316 2.494 10 0 BEAERN Cc1ccc2ccn(CCn3cc(N)cn3)c2c1 ZINC000050614999 178972081 /nfs/dbraw/zinc/97/20/81/178972081.db2.gz CBLJYBSEQKTOTG-UHFFFAOYSA-N 0 0 240.310 2.429 10 0 BEAERN CCOC(=O)c1c(C)nn2c1cccc2Cl ZINC000096320959 346112035 /nfs/dbraw/zinc/11/20/35/346112035.db2.gz CDQIRFMGCIQQPG-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN Cc1coc(C(=O)CNC(=O)OC(C)(C)C)c1 ZINC000685961876 537944277 /nfs/dbraw/zinc/94/42/77/537944277.db2.gz PGVMFRLKXHAIFQ-UHFFFAOYSA-N 0 0 239.271 2.295 10 0 BEAERN Cc1ccc(-c2ccnc(C)c2)c(CO)n1 ZINC000669372285 537949686 /nfs/dbraw/zinc/94/96/86/537949686.db2.gz MMBCYFDTVAWWAX-UHFFFAOYSA-N 0 0 214.268 2.253 10 0 BEAERN CC(C)NC(=O)C[C@@H](C)c1cccnc1 ZINC000062617731 346169557 /nfs/dbraw/zinc/16/95/57/346169557.db2.gz RAGAGAAECWAPDI-SNVBAGLBSA-N 0 0 206.289 2.100 10 0 BEAERN CCC[C@@H]1CCC[C@H](S(=O)(=O)NC)CC1 ZINC000669375603 537954641 /nfs/dbraw/zinc/95/46/41/537954641.db2.gz OMDGZYPVLSIHNU-MNOVXSKESA-N 0 0 233.377 2.285 10 0 BEAERN Cc1csc(-c2nc(N)no2)c1Cl ZINC000235959571 346175615 /nfs/dbraw/zinc/17/56/15/346175615.db2.gz XABRCEQYEYOSMI-UHFFFAOYSA-N 0 0 215.665 2.342 10 0 BEAERN Cc1nc(-c2onc(N)c2Cl)cs1 ZINC000235963207 346176081 /nfs/dbraw/zinc/17/60/81/346176081.db2.gz JIKCDTCIFMOPSY-UHFFFAOYSA-N 0 0 215.665 2.342 10 0 BEAERN Cc1ncc(-c2nnc(Br)o2)s1 ZINC000235962241 346176093 /nfs/dbraw/zinc/17/60/93/346176093.db2.gz SMIDRTZYCVSSMO-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN Cc1cnc(CNc2nnc(C)s2)s1 ZINC000235938283 346176570 /nfs/dbraw/zinc/17/65/70/346176570.db2.gz GSVCUBGLLYAFLG-UHFFFAOYSA-N 0 0 226.330 2.224 10 0 BEAERN Cc1cccc(-c2cnc(CO)s2)n1 ZINC000083250392 178994691 /nfs/dbraw/zinc/99/46/91/178994691.db2.gz SYNIHRGYBYYTCU-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN Cc1cnnc(NC2CCSCC2)c1 ZINC000235974649 346179860 /nfs/dbraw/zinc/17/98/60/346179860.db2.gz GJLJEYZQCRUKIN-UHFFFAOYSA-N 0 0 209.318 2.093 10 0 BEAERN CO[C@@H](C)CNc1cc(F)cc(F)c1 ZINC000166992959 346180080 /nfs/dbraw/zinc/18/00/80/346180080.db2.gz KPBHQLRSHKTOHJ-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN CC[C@@H](NN)c1cscc1Br ZINC000167051473 346186159 /nfs/dbraw/zinc/18/61/59/346186159.db2.gz KSUQYTGJSFSLAG-SSDOTTSWSA-N 0 0 235.150 2.425 10 0 BEAERN O=c1[nH]ccnc1-c1ccc(Cl)s1 ZINC000236043125 346186484 /nfs/dbraw/zinc/18/64/84/346186484.db2.gz HUETXXVSQZRZRZ-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN Clc1nccnc1Sc1ncco1 ZINC000236063332 346187064 /nfs/dbraw/zinc/18/70/64/346187064.db2.gz GWCPHJANYPFGLS-UHFFFAOYSA-N 0 0 213.649 2.269 10 0 BEAERN Cn1nc(-c2ccoc2Br)cc1N ZINC000236095315 346191414 /nfs/dbraw/zinc/19/14/14/346191414.db2.gz GPHDCXJEFYVFQQ-UHFFFAOYSA-N 0 0 242.076 2.025 10 0 BEAERN Cc1ccc(Cn2cc[nH]c2=S)cn1 ZINC000062055848 346194551 /nfs/dbraw/zinc/19/45/51/346194551.db2.gz KVJOXACSUQFBQL-UHFFFAOYSA-N 0 0 205.286 2.297 10 0 BEAERN CC(C)CC(=O)Nc1cncc(Cl)n1 ZINC000136344155 346196695 /nfs/dbraw/zinc/19/66/95/346196695.db2.gz JFUBSHDWASHCLN-UHFFFAOYSA-N 0 0 213.668 2.115 10 0 BEAERN Fc1cc(F)c(OCC(F)F)nc1F ZINC000236150314 346197861 /nfs/dbraw/zinc/19/78/61/346197861.db2.gz UDPAZDFCFAIFQB-UHFFFAOYSA-N 0 0 213.105 2.143 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245901237 537957554 /nfs/dbraw/zinc/95/75/54/537957554.db2.gz LEUAYPDBIKIQJQ-USZNOCQGSA-N 0 0 242.363 2.286 10 0 BEAERN Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1N ZINC000036782772 179005016 /nfs/dbraw/zinc/00/50/16/179005016.db2.gz LXTICUWVAGSTKA-SNVBAGLBSA-N 0 0 232.327 2.448 10 0 BEAERN Nc1nsc(-c2ccc(Cl)o2)n1 ZINC000236374319 346231496 /nfs/dbraw/zinc/23/14/96/346231496.db2.gz OFVMAKOJTMPLKE-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN Nc1cc(NCc2cccs2)sn1 ZINC000236366217 346233194 /nfs/dbraw/zinc/23/31/94/346233194.db2.gz VCCXFSMSORGHGV-UHFFFAOYSA-N 0 0 211.315 2.399 10 0 BEAERN Nc1noc(-c2csc(Br)c2)n1 ZINC000236394254 346235000 /nfs/dbraw/zinc/23/50/00/346235000.db2.gz ZIYKGHVVWOOWJN-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Cc1cccc(C(=O)N(CCCO)C(C)C)c1 ZINC000038098462 179006216 /nfs/dbraw/zinc/00/62/16/179006216.db2.gz TXUZMJMVDNXIKX-UHFFFAOYSA-N 0 0 235.327 2.228 10 0 BEAERN C[C@@H]1C[C@H]1CNc1nnc(Br)s1 ZINC000167221980 346216346 /nfs/dbraw/zinc/21/63/46/346216346.db2.gz YEKGXEAPCKZZBR-UHNVWZDZSA-N 0 0 248.149 2.369 10 0 BEAERN Fc1cncc(-c2n[nH]cc2Br)c1 ZINC000236273002 346217923 /nfs/dbraw/zinc/21/79/23/346217923.db2.gz UTXOIVBSNTXJHS-UHFFFAOYSA-N 0 0 242.051 2.373 10 0 BEAERN N[C@@H](c1cnc(C(F)(F)F)s1)C(F)F ZINC000236310616 346224077 /nfs/dbraw/zinc/22/40/77/346224077.db2.gz XOKDWIXVJZNIKP-VKHMYHEASA-N 0 0 232.177 2.427 10 0 BEAERN COCc1ccc(C(=O)N(C)CC2CCC2)o1 ZINC000111068644 187317609 /nfs/dbraw/zinc/31/76/09/187317609.db2.gz DYSULWAEQHYNDP-UHFFFAOYSA-N 0 0 237.299 2.298 10 0 BEAERN CC(=O)Nc1ncc(-c2ccccc2)o1 ZINC000196514054 187317746 /nfs/dbraw/zinc/31/77/46/187317746.db2.gz YDDRGLQSEQQOGW-UHFFFAOYSA-N 0 0 202.213 2.300 10 0 BEAERN Clc1ccc(CSc2ccncn2)nn1 ZINC000167441272 346246553 /nfs/dbraw/zinc/24/65/53/346246553.db2.gz VJOKCSYYMLACID-UHFFFAOYSA-N 0 0 238.703 2.212 10 0 BEAERN Cc1c(Cl)cnn1Cc1ccc(Cl)nn1 ZINC000167422434 346246812 /nfs/dbraw/zinc/24/68/12/346246812.db2.gz SYQIQEVFRHDVGY-UHFFFAOYSA-N 0 0 243.097 2.337 10 0 BEAERN O[C@H](CC1OCCO1)c1ccc(Cl)cc1 ZINC000236533387 346247135 /nfs/dbraw/zinc/24/71/35/346247135.db2.gz PBLXLISHFYUSFD-SNVBAGLBSA-N 0 0 228.675 2.136 10 0 BEAERN O[C@H](c1ccc[nH]1)c1ccoc1Br ZINC000236563428 346250899 /nfs/dbraw/zinc/25/08/99/346250899.db2.gz MPVJSNGMHWBMAE-QMMMGPOBSA-N 0 0 242.072 2.452 10 0 BEAERN Cc1cccc(C(=O)N2C[C@H]3CCC[C@H]32)c1O ZINC000336319548 179014055 /nfs/dbraw/zinc/01/40/55/179014055.db2.gz AOKVRMWCIUZWFI-ZYHUDNBSSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cccc(C(=O)NC2CCCC2)c1N ZINC000022148876 179014362 /nfs/dbraw/zinc/01/43/62/179014362.db2.gz UIPUTXCYFXUSJQ-UHFFFAOYSA-N 0 0 218.300 2.250 10 0 BEAERN Cc1cccc(C(=O)NCCC(C)C)c1N ZINC000019386185 179016110 /nfs/dbraw/zinc/01/61/10/179016110.db2.gz RYYNKHJLVIVOBW-UHFFFAOYSA-N 0 0 220.316 2.353 10 0 BEAERN Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H]2O)c1C ZINC000089162187 179016578 /nfs/dbraw/zinc/01/65/78/179016578.db2.gz PPRZIERUOCXASF-JSGCOSHPSA-N 0 0 247.338 2.194 10 0 BEAERN COc1ccc([C@H](N)C(=O)C2CCC2)cc1 ZINC000669376656 537963113 /nfs/dbraw/zinc/96/31/13/537963113.db2.gz FTKHJPOGXXXXOM-LBPRGKRZSA-N 0 0 219.284 2.064 10 0 BEAERN Cc1cccc(C(=O)NCC[C@@H](C)O)c1Cl ZINC000129130422 179017224 /nfs/dbraw/zinc/01/72/24/179017224.db2.gz LMXAXJMMDBZBFN-SECBINFHSA-N 0 0 241.718 2.149 10 0 BEAERN CCOC(CC(=O)[C@H](C)CC)OCC ZINC000308548650 537964132 /nfs/dbraw/zinc/96/41/32/537964132.db2.gz OYWOINUDWKHMMQ-SECBINFHSA-N 0 0 202.294 2.391 10 0 BEAERN CC(C)CC(=O)[C@@H](N)c1ccc(F)cc1 ZINC000669376723 537962364 /nfs/dbraw/zinc/96/23/64/537962364.db2.gz KTDLCIWZRHMAMP-LBPRGKRZSA-N 0 0 209.264 2.441 10 0 BEAERN CCN1CC[C@H](c2c[nH]nc2N)c2ccccc21 ZINC000616590328 349947145 /nfs/dbraw/zinc/94/71/45/349947145.db2.gz MYOYJLFVMVHLQN-JTQLQIEISA-N 0 0 242.326 2.184 10 0 BEAERN Cc1cccc(C)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000151943411 179031840 /nfs/dbraw/zinc/03/18/40/179031840.db2.gz SRIRVVRGWXGFGH-QWHCGFSZSA-N 0 0 247.338 2.337 10 0 BEAERN Nc1ccc2c(ccn2[C@H]2CCOC2)c1 ZINC000308611734 537967004 /nfs/dbraw/zinc/96/70/04/537967004.db2.gz DBODPDZIUKTCDG-NSHDSACASA-N 0 0 202.257 2.185 10 0 BEAERN CCCCCCc1c(N)nc(N)[nH+]c1CC ZINC000027433563 187319506 /nfs/dbraw/zinc/31/95/06/187319506.db2.gz GTOXMDZYKYIFLF-UHFFFAOYSA-N 0 0 222.336 2.326 10 0 BEAERN O[C@H](CCc1cccs1)c1cn[nH]c1 ZINC000308653880 537967196 /nfs/dbraw/zinc/96/71/96/537967196.db2.gz MFEREZTUQDZGNI-SNVBAGLBSA-N 0 0 208.286 2.137 10 0 BEAERN Cc1cccc(C)c1NC(=O)OCn1cncn1 ZINC000020418176 179042228 /nfs/dbraw/zinc/04/22/28/179042228.db2.gz ZUVLMOUEHJALRZ-UHFFFAOYSA-N 0 0 246.270 2.101 10 0 BEAERN CCCNc1cc(C)ccc1C(N)=S ZINC000051596292 349954594 /nfs/dbraw/zinc/95/45/94/349954594.db2.gz BFIZCRYMTSQPSL-UHFFFAOYSA-N 0 0 208.330 2.451 10 0 BEAERN CCN(C)c1cc(C)ccc1C(N)=S ZINC000051596603 349954655 /nfs/dbraw/zinc/95/46/55/349954655.db2.gz CVXBHBWKJKAHNS-UHFFFAOYSA-N 0 0 208.330 2.085 10 0 BEAERN O=C(NCC(F)(F)C(F)F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300708276 346344175 /nfs/dbraw/zinc/34/41/75/346344175.db2.gz AQGCDXWTNDGGNV-KVSKUHBBSA-N 0 0 239.212 2.049 10 0 BEAERN CN(C)n1c(=S)[nH]c2cccc(Cl)c21 ZINC000148663449 346384385 /nfs/dbraw/zinc/38/43/85/346384385.db2.gz QQLRCMUPBHXDHR-UHFFFAOYSA-N 0 0 227.720 2.176 10 0 BEAERN CCOC(=O)c1ccnc(C2(C)CCC2)n1 ZINC000669378683 537971625 /nfs/dbraw/zinc/97/16/25/537971625.db2.gz MQKFZXISZZNHNP-UHFFFAOYSA-N 0 0 220.272 2.095 10 0 BEAERN C[C@@H]1CC[C@H](c2nnc(Br)o2)O1 ZINC000157816768 346387131 /nfs/dbraw/zinc/38/71/31/346387131.db2.gz DXVMPPBJBYTLSI-RFZPGFLSSA-N 0 0 233.065 2.072 10 0 BEAERN CC(C)(C)ONCCCNC(=O)OC(C)(C)C ZINC000148732692 346420781 /nfs/dbraw/zinc/42/07/81/346420781.db2.gz DCGPBEIGPRTYJZ-UHFFFAOYSA-N 0 0 246.351 2.221 10 0 BEAERN Nc1cccc(-c2c(F)cncc2F)n1 ZINC000669379560 537979393 /nfs/dbraw/zinc/97/93/93/537979393.db2.gz FIUZGUFMFJRAKH-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN COc1nsc(OC)c1-c1cccc(N)c1 ZINC000669379435 537979840 /nfs/dbraw/zinc/97/98/40/537979840.db2.gz BIWWWFQTNCNYJE-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COCc1nc(CN[C@H](C)C(F)F)cs1 ZINC000641794598 362735472 /nfs/dbraw/zinc/73/54/72/362735472.db2.gz WNXFPWYEXPGPAN-ZCFIWIBFSA-N 0 0 236.287 2.033 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000170904606 346478168 /nfs/dbraw/zinc/47/81/68/346478168.db2.gz CSJSHCRTGOFIHJ-ZJUUUORDSA-N 0 0 215.362 2.387 10 0 BEAERN Cc1ccc2nccn2c1Br ZINC000149491288 346506773 /nfs/dbraw/zinc/50/67/73/346506773.db2.gz ZEJCEVQSLZNIHQ-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN Clc1cncc2nnc(-c3ccco3)n21 ZINC000162069012 346508140 /nfs/dbraw/zinc/50/81/40/346508140.db2.gz AMOLPWXRAMRZAQ-UHFFFAOYSA-N 0 0 220.619 2.038 10 0 BEAERN Cc1cccc(CNc2cc(Cl)nc(N)n2)n1 ZINC000048566343 179102134 /nfs/dbraw/zinc/10/21/34/179102134.db2.gz BSGOTWVWJYWGFJ-UHFFFAOYSA-N 0 0 249.705 2.028 10 0 BEAERN Cc1ccc(C(=O)Cc2ccco2)cn1 ZINC000161794377 346499752 /nfs/dbraw/zinc/49/97/52/346499752.db2.gz VGLVGHIMBADHQE-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN CCOC(=O)c1ccc(OC(F)(F)F)nc1 ZINC000309546628 347097674 /nfs/dbraw/zinc/09/76/74/347097674.db2.gz IMBQULMJIWKWAZ-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@@H](C)C(C)C ZINC000020522385 179119102 /nfs/dbraw/zinc/11/91/02/179119102.db2.gz YPRCWTRADLBTMT-JTQLQIEISA-N 0 0 220.316 2.352 10 0 BEAERN CC(C)(C)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000192772743 365822332 /nfs/dbraw/zinc/82/23/32/365822332.db2.gz LLJSSKRKWTWEGC-GHMZBOCLSA-N 0 0 235.327 2.374 10 0 BEAERN Cn1c(=O)c(C=O)cc2c(Cl)cccc21 ZINC000149111449 346552838 /nfs/dbraw/zinc/55/28/38/346552838.db2.gz PWBQMRHMOPCXKN-UHFFFAOYSA-N 0 0 221.643 2.004 10 0 BEAERN Cc1ccc(CN2[C@H](C)COC[C@H]2C)c(C)n1 ZINC000187074372 346554133 /nfs/dbraw/zinc/55/41/33/346554133.db2.gz JAJQRVRWOIVLSF-VXGBXAGGSA-N 0 0 234.343 2.308 10 0 BEAERN Cc1cccc(Cn2ccnc2[C@@H]2CCOC2)n1 ZINC000065409461 179109490 /nfs/dbraw/zinc/10/94/90/179109490.db2.gz YCYVEUZREOQSEO-GFCCVEGCSA-N 0 0 243.310 2.139 10 0 BEAERN Cc1cccc(N)c1NC(=O)COC1CCC1 ZINC000050519187 179120348 /nfs/dbraw/zinc/12/03/48/179120348.db2.gz KANDKMQKXLPSPP-UHFFFAOYSA-N 0 0 234.299 2.085 10 0 BEAERN C[C@@H]1CC(n2ncc(C=O)c2N)C[C@@H](C)C1 ZINC000725242313 537983822 /nfs/dbraw/zinc/98/38/22/537983822.db2.gz SXNJHNHJOLXYKX-IUCAKERBSA-N 0 0 221.304 2.275 10 0 BEAERN CC(=O)CCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000203097284 346621108 /nfs/dbraw/zinc/62/11/08/346621108.db2.gz HTBDHKJZKGEMIZ-QWHCGFSZSA-N 0 0 231.295 2.028 10 0 BEAERN CC[C@@](O)(c1ccc(F)cn1)C(F)F ZINC000164277301 346598047 /nfs/dbraw/zinc/59/80/47/346598047.db2.gz LBSRGKLRTZACBK-SECBINFHSA-N 0 0 205.179 2.083 10 0 BEAERN Cc1cccc(N)c1C(=O)NCc1ccco1 ZINC000022167472 179119982 /nfs/dbraw/zinc/11/99/82/179119982.db2.gz CBFURZZKGAOFSP-UHFFFAOYSA-N 0 0 230.267 2.100 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@H]1CCC[C@H]1C ZINC000071205097 179120073 /nfs/dbraw/zinc/12/00/73/179120073.db2.gz PHZGBTBFYXPMOS-SKDRFNHKSA-N 0 0 232.327 2.496 10 0 BEAERN CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000006293873 346647012 /nfs/dbraw/zinc/64/70/12/346647012.db2.gz VVLNTOJTEADNLL-UHFFFAOYSA-N 0 0 219.269 2.164 10 0 BEAERN Cc1cc(O)ccc1NCC1(O)CCC1 ZINC000580641869 365840057 /nfs/dbraw/zinc/84/00/57/365840057.db2.gz WTNQIIUZIAMXPB-UHFFFAOYSA-N 0 0 207.273 2.028 10 0 BEAERN Nc1cnc(C(=O)OCc2ccccc2)s1 ZINC000585656168 346652821 /nfs/dbraw/zinc/65/28/21/346652821.db2.gz STPFVUJCUNKCBI-UHFFFAOYSA-N 0 0 234.280 2.082 10 0 BEAERN Cc1c(F)c(Cl)nc(Cl)c1CO ZINC000585681346 346653599 /nfs/dbraw/zinc/65/35/99/346653599.db2.gz PRJATGJYWYYYSS-UHFFFAOYSA-N 0 0 210.035 2.328 10 0 BEAERN FC(F)(F)Cc1nsc(Br)n1 ZINC000166042225 346663959 /nfs/dbraw/zinc/66/39/59/346663959.db2.gz WRQSWPKACAHLJE-UHFFFAOYSA-N 0 0 247.039 2.405 10 0 BEAERN Cc1cccc(NC(=O)C[C@@H](O)C(C)C)c1 ZINC000153800358 179129313 /nfs/dbraw/zinc/12/93/13/179129313.db2.gz NXHUQDQJZQBUIF-GFCCVEGCSA-N 0 0 221.300 2.341 10 0 BEAERN COc1ccc2c(c1)[C@H](N1CCCC1=O)CC2 ZINC000165069198 346637540 /nfs/dbraw/zinc/63/75/40/346637540.db2.gz PFOSMZZDJBMZMO-CYBMUJFWSA-N 0 0 231.295 2.305 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1nc(Cl)cs1 ZINC000165060989 346637695 /nfs/dbraw/zinc/63/76/95/346637695.db2.gz ZEXBKOMTZIABDC-RNFRBKRXSA-N 0 0 232.736 2.369 10 0 BEAERN O=c1c(Cl)nccn1C/C(Cl)=C\Cl ZINC000165084926 346638771 /nfs/dbraw/zinc/63/87/71/346638771.db2.gz XWDHVACCQKFHJW-HWKANZROSA-N 0 0 239.489 2.216 10 0 BEAERN OC[C@H]1Cc2ccc3ccccc3c2O1 ZINC000166821445 346691801 /nfs/dbraw/zinc/69/18/01/346691801.db2.gz GPCYERQCAVBGNO-LLVKDONJSA-N 0 0 200.237 2.136 10 0 BEAERN Cc1cccc(N[C@H](C)C(=O)NC(C)C)c1 ZINC000020304408 179156593 /nfs/dbraw/zinc/15/65/93/179156593.db2.gz OSQZMJASCVANOW-LLVKDONJSA-N 0 0 220.316 2.320 10 0 BEAERN Cc1cccc(NCc2ccnc(C)n2)n1 ZINC000038038086 179150550 /nfs/dbraw/zinc/15/05/50/179150550.db2.gz TXIBKWUHCVZXLD-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN COc1cccc2c1CC(=O)[C@@H](CCC#N)C2 ZINC000168743241 346742243 /nfs/dbraw/zinc/74/22/43/346742243.db2.gz WKDOLFGAMCTECA-NSHDSACASA-N 0 0 229.279 2.283 10 0 BEAERN Cc1cccc(OCCNc2ccncn2)c1 ZINC000042897100 179170127 /nfs/dbraw/zinc/17/01/27/179170127.db2.gz BAMPYQCZTBDKRG-UHFFFAOYSA-N 0 0 229.283 2.276 10 0 BEAERN COc1cc(Cc2cccnc2)cc(C=O)c1O ZINC000039619843 347192131 /nfs/dbraw/zinc/19/21/31/347192131.db2.gz JQZWRASWOZZIAV-UHFFFAOYSA-N 0 0 243.262 2.199 10 0 BEAERN COC(=O)/C(C)=C/c1ccc(OC)cc1 ZINC000038882141 347170519 /nfs/dbraw/zinc/17/05/19/347170519.db2.gz SCVOEXDTUOOUNB-CMDGGOBGSA-N 0 0 206.241 2.272 10 0 BEAERN Cc1cccc([C@@H](N)c2ncccn2)c1C ZINC000053329520 179187220 /nfs/dbraw/zinc/18/72/20/179187220.db2.gz DKVPONUCXJAHQG-GFCCVEGCSA-N 0 0 213.284 2.142 10 0 BEAERN COC(=O)/C=C/c1c(C)cc(OC(C)=O)cc1C ZINC000039042889 347174945 /nfs/dbraw/zinc/17/49/45/347174945.db2.gz ULADUUDYXSERFL-AATRIKPKSA-N 0 0 248.278 2.415 10 0 BEAERN COc1cc2c(c(OC)c1)[C@@H]1C=CO[C@H]1O2 ZINC000039149981 347180882 /nfs/dbraw/zinc/18/08/82/347180882.db2.gz KEFXQTPQVMBKRL-UFBFGSQYSA-N 0 0 220.224 2.050 10 0 BEAERN C([C@@H]1CCCO1)C1CCC2(CC1)OCCO2 ZINC000039150328 347181280 /nfs/dbraw/zinc/18/12/80/347181280.db2.gz RZODHRYFZHPVBG-LBPRGKRZSA-N 0 0 226.316 2.489 10 0 BEAERN C([C@H]1CCCO1)C1CCC2(CC1)OCCO2 ZINC000039150327 347181399 /nfs/dbraw/zinc/18/13/99/347181399.db2.gz RZODHRYFZHPVBG-GFCCVEGCSA-N 0 0 226.316 2.489 10 0 BEAERN CCC[C@H]1CC=C([C@H](O)C(=O)OCC)CC1 ZINC000675055174 537988185 /nfs/dbraw/zinc/98/81/85/537988185.db2.gz YWFYBPXNLFQGNA-JQWIXIFHSA-N 0 0 226.316 2.437 10 0 BEAERN O=C([O-])[C@]1(Cc2ccc(Cl)s2)CC[NH2+]C1 ZINC000062878657 347242151 /nfs/dbraw/zinc/24/21/51/347242151.db2.gz CJJMCUXEWOFDPW-JTQLQIEISA-N 0 0 245.731 2.008 10 0 BEAERN Nc1nc(Cl)cc(OC2CCCC2)n1 ZINC000087795586 362789236 /nfs/dbraw/zinc/78/92/36/362789236.db2.gz KVKDGAXEWXALGQ-UHFFFAOYSA-N 0 0 213.668 2.034 10 0 BEAERN Cc1cccc([C@H](CC(=O)[O-])[NH+](C)C)c1 ZINC000057494654 179198582 /nfs/dbraw/zinc/19/85/82/179198582.db2.gz HSOYOTAIFRMIQO-NSHDSACASA-N 0 0 207.273 2.072 10 0 BEAERN C[C@@H](O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000149505211 347284148 /nfs/dbraw/zinc/28/41/48/347284148.db2.gz SKGCMMQLWFTJPO-DGCLKSJQSA-N 0 0 249.310 2.026 10 0 BEAERN Fc1ccc(C2N=NC(=S)N2)c(F)c1 ZINC000036489310 347358503 /nfs/dbraw/zinc/35/85/03/347358503.db2.gz MICPSAVNAIBPOQ-UHFFFAOYSA-N 0 0 213.212 2.039 10 0 BEAERN CCOC[C@@H](NC(=O)N[C@@H](C)C(C)C)C(C)C ZINC000189716806 347308890 /nfs/dbraw/zinc/30/88/90/347308890.db2.gz KZZLWKAYDHWKGT-NWDGAFQWSA-N 0 0 244.379 2.391 10 0 BEAERN Cc1cc2nc(CC(C)C)nn2c(O)c1C ZINC000725243066 537989301 /nfs/dbraw/zinc/98/93/01/537989301.db2.gz IHUOTSCSHCZQGJ-UHFFFAOYSA-N 0 0 219.288 2.250 10 0 BEAERN Cc1ccc2c(c1)[C@H](O)N(C(C)(C)C)C2=O ZINC000118471716 347363042 /nfs/dbraw/zinc/36/30/42/347363042.db2.gz WJSVPIQWQFRIPQ-LBPRGKRZSA-N 0 0 219.284 2.240 10 0 BEAERN Cc1cccc2c1N[C@]1(CCCSC1)NC2=O ZINC000108943742 179219489 /nfs/dbraw/zinc/21/94/89/179219489.db2.gz VCCVSJMNQWHYDX-CYBMUJFWSA-N 0 0 248.351 2.374 10 0 BEAERN Clc1ns[nH]c1=NN1CCCCC1 ZINC000149625294 347381862 /nfs/dbraw/zinc/38/18/62/347381862.db2.gz HLIFIYDSSQAHRK-UHFFFAOYSA-N 0 0 218.713 2.004 10 0 BEAERN CCCCOC[C@H](O)Cn1ccnc1C(C)C ZINC000193252855 347394290 /nfs/dbraw/zinc/39/42/90/347394290.db2.gz YKDVICKXPYBHDW-GFCCVEGCSA-N 0 0 240.347 2.184 10 0 BEAERN Cc1cccc2ncc([C@@H](N)C(F)(F)F)n21 ZINC000031919696 179230835 /nfs/dbraw/zinc/23/08/35/179230835.db2.gz GPRBYUHUUFIUGR-SECBINFHSA-N 0 0 229.205 2.205 10 0 BEAERN Nc1ccc(NCc2cccs2)nc1 ZINC000036667047 347430280 /nfs/dbraw/zinc/43/02/80/347430280.db2.gz VRXJULDDNOXXIM-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN Cc1ccccc1-c1nc2scnn2c1N ZINC000095221128 179238252 /nfs/dbraw/zinc/23/82/52/179238252.db2.gz LVEQIOUIAKXEGA-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN Cc1cccc2nc(Br)c(C=O)n21 ZINC000082328923 179228521 /nfs/dbraw/zinc/22/85/21/179228521.db2.gz RXAUXQHJOQEXTJ-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN COC(=O)Nc1cc(N)ccc1Cl ZINC000036744137 347448796 /nfs/dbraw/zinc/44/87/96/347448796.db2.gz BTGZJAKCCCOQGK-UHFFFAOYSA-N 0 0 200.625 2.101 10 0 BEAERN Cc1ccccc1/C=C1\SC(=N)NC1=O ZINC000016905048 179244800 /nfs/dbraw/zinc/24/48/00/179244800.db2.gz YYUSYCQAGRHZFP-TWGQIWQCSA-N 0 0 218.281 2.134 10 0 BEAERN Cc1ccccc1C(=O)CCN1CCOC[C@@H]1C ZINC000054013729 179246275 /nfs/dbraw/zinc/24/62/75/179246275.db2.gz LPQMBRNMEJFGGB-ZDUSSCGKSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1ccccc1C(=O)CCN1CCO[C@@H](C)C1 ZINC000054013338 179246469 /nfs/dbraw/zinc/24/64/69/179246469.db2.gz WVZAAANHQJPUEH-ZDUSSCGKSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1ccccc1C(=O)CCN1CCOC[C@H]1C ZINC000054013731 179246564 /nfs/dbraw/zinc/24/65/64/179246564.db2.gz LPQMBRNMEJFGGB-CYBMUJFWSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@H]1CCCCN1C(=O)c1cccc(F)c1N ZINC000054205777 1172093078 /nfs/dbraw/zinc/09/30/78/1172093078.db2.gz FHJITMPZHFDQNM-VIFPVBQESA-N 0 0 236.290 2.423 10 0 BEAERN Cc1ccccc1CC(=O)N[C@H]1C[C@@H]1C ZINC000075529642 179260736 /nfs/dbraw/zinc/26/07/36/179260736.db2.gz MKQVWMCENLWKGO-JQWIXIFHSA-N 0 0 203.285 2.062 10 0 BEAERN Cc1ccccc1CCNC(=O)N[C@H]1C[C@H]1C ZINC000075959080 179266036 /nfs/dbraw/zinc/26/60/36/179266036.db2.gz VWZNFFIUMQDHBO-YPMHNXCESA-N 0 0 232.327 2.245 10 0 BEAERN Cc1ccccc1CCc1nnc([C@H](C)N)o1 ZINC000011586197 179267296 /nfs/dbraw/zinc/26/72/96/179267296.db2.gz OGAFNKAAZGPIPP-JTQLQIEISA-N 0 0 231.299 2.183 10 0 BEAERN COCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000048366676 323153038 /nfs/dbraw/zinc/15/30/38/323153038.db2.gz YBODLMVPHXHXBJ-SNVBAGLBSA-N 0 0 225.288 2.192 10 0 BEAERN CC(C)c1nc2cc(C3CC3)cc(O)n2n1 ZINC000725243112 537992289 /nfs/dbraw/zinc/99/22/89/537992289.db2.gz LEJQRFSJFBHLEO-UHFFFAOYSA-N 0 0 217.272 2.436 10 0 BEAERN Cc1cccc(CCC(=O)N[C@H]2C[C@H]2C)c1 ZINC000075522596 347746919 /nfs/dbraw/zinc/74/69/19/347746919.db2.gz CDYBPKJHMRNNSP-YPMHNXCESA-N 0 0 217.312 2.452 10 0 BEAERN Cc1ccccc1N(C)Cc1nnsc1N ZINC000050816207 179294103 /nfs/dbraw/zinc/29/41/03/179294103.db2.gz PMHILSQWQIRLKM-UHFFFAOYSA-N 0 0 234.328 2.065 10 0 BEAERN CC(C)C(=O)NC[C@H]1CCNc2ccccc21 ZINC000616569699 347806238 /nfs/dbraw/zinc/80/62/38/347806238.db2.gz BXRRGANKBYRTEM-LLVKDONJSA-N 0 0 232.327 2.358 10 0 BEAERN Cc1ccccc1N(C)C(=O)c1ccnc(N)c1 ZINC000050708613 179294770 /nfs/dbraw/zinc/29/47/70/179294770.db2.gz FHSVJMCNHXQFDD-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CCc1c(O)n2nc(C)nc2cc1C(C)C ZINC000725243157 537992685 /nfs/dbraw/zinc/99/26/85/537992685.db2.gz NAHHLCFPKYSXAJ-UHFFFAOYSA-N 0 0 219.288 2.429 10 0 BEAERN Cc1ccccc1NCCn1ccnc1 ZINC000053520481 179305086 /nfs/dbraw/zinc/30/50/86/179305086.db2.gz QSBSCWWUSVVEQL-UHFFFAOYSA-N 0 0 201.273 2.304 10 0 BEAERN Cc1ccccc1N[C@@H](C)C(=O)NC(C)C ZINC000020304657 179305886 /nfs/dbraw/zinc/30/58/86/179305886.db2.gz ONQAHEMYCMQLOI-NSHDSACASA-N 0 0 220.316 2.320 10 0 BEAERN Cc1ccccc1N[C@]1(CO)CCSC1 ZINC000038112973 179307089 /nfs/dbraw/zinc/30/70/89/179307089.db2.gz MIHLRJURPDHNTI-LBPRGKRZSA-N 0 0 223.341 2.275 10 0 BEAERN Cc1ccccc1N[C@@H]1CCCCNC1=O ZINC000020056255 179307324 /nfs/dbraw/zinc/30/73/24/179307324.db2.gz BKEYBJWXZBGTOD-GFCCVEGCSA-N 0 0 218.300 2.076 10 0 BEAERN Nc1ccccc1-c1ccnc(C2OCCO2)c1 ZINC000196370721 347867166 /nfs/dbraw/zinc/86/71/66/347867166.db2.gz UUZHQMHRCBJBHM-UHFFFAOYSA-N 0 0 242.278 2.376 10 0 BEAERN COC(=O)c1cc(C=O)ccc1C(C)C ZINC000201164043 347874352 /nfs/dbraw/zinc/87/43/52/347874352.db2.gz JSVHMVKKOXZOFP-UHFFFAOYSA-N 0 0 206.241 2.409 10 0 BEAERN CCC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000253027498 347878152 /nfs/dbraw/zinc/87/81/52/347878152.db2.gz OKAUVAVRZQSCIQ-JGPRNRPPSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1ccccc1N[C@H](C(N)=O)C(C)(C)C ZINC000041051705 179306719 /nfs/dbraw/zinc/30/67/19/179306719.db2.gz AHUSWXGBJUUNAK-LLVKDONJSA-N 0 0 220.316 2.307 10 0 BEAERN CCOC(=O)c1cc2n(c1C)CCCC2 ZINC000196431707 347882636 /nfs/dbraw/zinc/88/26/36/347882636.db2.gz ZKTCXZZMAZLRMY-UHFFFAOYSA-N 0 0 207.273 2.310 10 0 BEAERN CC(C)n1c(=S)[nH]nc1N(C)C1CC1 ZINC000036865682 347954399 /nfs/dbraw/zinc/95/43/99/347954399.db2.gz NXAUYHXIPLPZDB-UHFFFAOYSA-N 0 0 212.322 2.120 10 0 BEAERN CC(C)Cn1ncc2c1ncnc2Cl ZINC000036928360 347964655 /nfs/dbraw/zinc/96/46/55/347964655.db2.gz MVEZGLVNWBQAJT-UHFFFAOYSA-N 0 0 210.668 2.136 10 0 BEAERN Cn1nc(-c2ccc(Br)o2)cc1N ZINC000036938200 347967179 /nfs/dbraw/zinc/96/71/79/347967179.db2.gz CPLMXCFVSNSPPC-UHFFFAOYSA-N 0 0 242.076 2.025 10 0 BEAERN Cc1cc(-c2nn(C)cc2C=O)c(C)o1 ZINC000036894398 347968087 /nfs/dbraw/zinc/96/80/87/347968087.db2.gz HVBAIYRFPSPVJA-UHFFFAOYSA-N 0 0 204.229 2.109 10 0 BEAERN CC(C)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@@H]12 ZINC000669381406 537995326 /nfs/dbraw/zinc/99/53/26/537995326.db2.gz IVYMWDUVSHLCEA-SDDRHHMPSA-N 0 0 245.388 2.141 10 0 BEAERN O=C(c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000036941577 347974945 /nfs/dbraw/zinc/97/49/45/347974945.db2.gz ZCYDIFSXBUTJHD-SNVBAGLBSA-N 0 0 212.195 2.327 10 0 BEAERN Cc1ccccc1[C@@H](C)n1nccc1N ZINC000019689246 179323349 /nfs/dbraw/zinc/32/33/49/179323349.db2.gz HYQZVSPOVLIYCS-SNVBAGLBSA-N 0 0 201.273 2.383 10 0 BEAERN O[C@H]1c2cc(F)ccc2OCc2ncccc21 ZINC000196703631 347994770 /nfs/dbraw/zinc/99/47/70/347994770.db2.gz WMWHDOZVDCBGMP-CYBMUJFWSA-N 0 0 231.226 2.195 10 0 BEAERN C=CC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000037013588 348014095 /nfs/dbraw/zinc/01/40/95/348014095.db2.gz ACTUDKLZJDCIFM-YUMQZZPRSA-N 0 0 221.222 2.410 10 0 BEAERN O=C1COCCN1c1cccc(Cl)c1Cl ZINC000725244213 537996106 /nfs/dbraw/zinc/99/61/06/537996106.db2.gz KNOQAIFAVMFZNM-UHFFFAOYSA-N 0 0 246.093 2.357 10 0 BEAERN C=C(C)[C@@H]1Cc2c(ccc(C=O)c2O)O1 ZINC000196842622 348033267 /nfs/dbraw/zinc/03/32/67/348033267.db2.gz MUUPNIQFJFPAAN-NSHDSACASA-N 0 0 204.225 2.084 10 0 BEAERN Cc1cccnc1-c1nc(C)c(C)c(N)n1 ZINC000050847440 179357424 /nfs/dbraw/zinc/35/74/24/179357424.db2.gz WJEFEHUZQGZXDY-UHFFFAOYSA-N 0 0 214.272 2.046 10 0 BEAERN CC[C@@H]1CCCCC[C@@]12O[C@H]2C(=O)OC ZINC000669382173 537997997 /nfs/dbraw/zinc/99/79/97/537997997.db2.gz BELVBADZAGUGDX-JFGNBEQYSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cc(C)nc(S[C@@H]2CCC[C@H]2O)n1 ZINC000051607625 349982168 /nfs/dbraw/zinc/98/21/68/349982168.db2.gz HQGQLNZKRAUGRC-NXEZZACHSA-N 0 0 224.329 2.099 10 0 BEAERN Cn1ccnc1-c1ccc(N)c(Cl)c1 ZINC000203801517 348219534 /nfs/dbraw/zinc/21/95/34/348219534.db2.gz SRTVBZMVFKUPRM-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CCc1c(Cl)nc2ccc(F)cn2c1=O ZINC000725244660 537999055 /nfs/dbraw/zinc/99/90/55/537999055.db2.gz LHLYAPSJSPJQOX-UHFFFAOYSA-N 0 0 226.638 2.049 10 0 BEAERN Cc1nnc(-c2ccc(N)c(Cl)c2)o1 ZINC000223647904 348239392 /nfs/dbraw/zinc/23/93/92/348239392.db2.gz HHYKEWUIVBWIQU-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669382368 538000589 /nfs/dbraw/zinc/00/05/89/538000589.db2.gz GZVAKJKPAHJUTM-LYIQGSDWSA-N 0 0 224.300 2.287 10 0 BEAERN NC(=O)/C=C/c1nc(-c2ccccc2)cs1 ZINC000224886347 348265941 /nfs/dbraw/zinc/26/59/41/348265941.db2.gz VAVXHTPBQMGEQI-VOTSOKGWSA-N 0 0 230.292 2.309 10 0 BEAERN Cc1cccnc1N[C@H](C)Cn1cccn1 ZINC000051041065 179394525 /nfs/dbraw/zinc/39/45/25/179394525.db2.gz FXERLQQJNNFOSW-LLVKDONJSA-N 0 0 216.288 2.087 10 0 BEAERN Cc1cccnc1N[C@@H](C)[C@H]1CCCO1 ZINC000051040925 179396466 /nfs/dbraw/zinc/39/64/66/179396466.db2.gz LKMVDVKBHJJDOG-WDEREUQCSA-N 0 0 206.289 2.369 10 0 BEAERN Cc1ccn(-c2cc(CO)nc3ccccc32)n1 ZINC000103923354 179398976 /nfs/dbraw/zinc/39/89/76/179398976.db2.gz KATCIRZZSLDGSE-UHFFFAOYSA-N 0 0 239.278 2.221 10 0 BEAERN Cc1ccn(-c2ncc(Br)s2)n1 ZINC000044116989 179399371 /nfs/dbraw/zinc/39/93/71/179399371.db2.gz TWHFTFBLDGYXHT-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN Cc1ccn(-c2cccc(Br)n2)n1 ZINC000044116922 179399551 /nfs/dbraw/zinc/39/95/51/179399551.db2.gz LIKBRPBMSLWVFN-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN O=C(Cn1cccn1)c1cccc(Cl)c1 ZINC000037340780 348332078 /nfs/dbraw/zinc/33/20/78/348332078.db2.gz BNPFARPNNOAREU-UHFFFAOYSA-N 0 0 220.659 2.419 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCCCCC2(C)C ZINC000669382110 538002370 /nfs/dbraw/zinc/00/23/70/538002370.db2.gz AFVPRVSBBKKPQL-JOYOIKCWSA-N 0 0 212.289 2.287 10 0 BEAERN CN(c1nsnc1Cl)[C@H]1CCSC1 ZINC000037372341 348356296 /nfs/dbraw/zinc/35/62/96/348356296.db2.gz ZUBXSYVVKHHXRM-YFKPBYRVSA-N 0 0 235.765 2.133 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)CC1CCCC1 ZINC000669382738 538004633 /nfs/dbraw/zinc/00/46/33/538004633.db2.gz KRRTZGAQXPJYNZ-WDEREUQCSA-N 0 0 232.707 2.464 10 0 BEAERN Nc1ccc(Br)c2c1NCCC2 ZINC000216256329 349989821 /nfs/dbraw/zinc/98/98/21/349989821.db2.gz LOSKOCLOLFOMJU-UHFFFAOYSA-N 0 0 227.105 2.389 10 0 BEAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC[C@@H](C)CC1 ZINC000222029056 349990531 /nfs/dbraw/zinc/99/05/31/349990531.db2.gz OIEYNGLRKAEMRI-GMTAPVOTSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1ccnc(Oc2ccc(N)c(F)c2)n1 ZINC000061859565 179463223 /nfs/dbraw/zinc/46/32/23/179463223.db2.gz UQLNBKJOOCTACN-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1ccnc(Oc2ccccc2N)n1 ZINC000061859541 179464863 /nfs/dbraw/zinc/46/48/63/179464863.db2.gz HNSQPHSIKRWTFX-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CC(=O)O[C@@H]1CON=C1c1ccc(Cl)cc1 ZINC000205073477 348446828 /nfs/dbraw/zinc/44/68/28/348446828.db2.gz CBMRSPTXHQCFHW-SNVBAGLBSA-N 0 0 239.658 2.006 10 0 BEAERN Cc1ccnc2cc(C(N)=S)ccc12 ZINC000082769423 179471327 /nfs/dbraw/zinc/47/13/27/179471327.db2.gz LVFPDMIEQJZZQS-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN Cc1ccnc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281826232 179451208 /nfs/dbraw/zinc/45/12/08/179451208.db2.gz KHLCVYNZUOUDNV-ZSBIGDGJSA-N 0 0 235.331 2.401 10 0 BEAERN Cc1nc(CNc2nccc(C)n2)c(C)s1 ZINC000301830671 179452127 /nfs/dbraw/zinc/45/21/27/179452127.db2.gz HTEXTBXJFJXJPU-UHFFFAOYSA-N 0 0 234.328 2.470 10 0 BEAERN Cc1ccsc1Cn1ncc(C)c1N ZINC000020579056 179550764 /nfs/dbraw/zinc/55/07/64/179550764.db2.gz RXGDLNJXPCGVMD-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN COC(=O)[C@]1(CC(C)C)O[C@]12CC[C@H]1C[C@H]12 ZINC000669383164 538007904 /nfs/dbraw/zinc/00/79/04/538007904.db2.gz GMKBORFGPDERFB-LFSVMHDDSA-N 0 0 224.300 2.143 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@@H]1CCC[C@H]12 ZINC000669383512 538008131 /nfs/dbraw/zinc/00/81/31/538008131.db2.gz SCOSWENFTXTDCC-YGNMPJRFSA-N 0 0 224.300 2.287 10 0 BEAERN CC1=CCC[C@H](C)[C@H]1C[C@H](C[NH3+])C(=O)[O-] ZINC000725246704 538008163 /nfs/dbraw/zinc/00/81/63/538008163.db2.gz UAQJLZGDJCALLG-AXFHLTTASA-N 0 0 211.305 2.028 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]1(C)Cc1ccsc1 ZINC000669383781 538009914 /nfs/dbraw/zinc/00/99/14/538009914.db2.gz WQAJPOFTVPHTRC-QWRGUYRKSA-N 0 0 226.297 2.011 10 0 BEAERN COC(=O)[C@]1(C)O[C@]1(C)Cc1ccsc1 ZINC000669383780 538010005 /nfs/dbraw/zinc/01/00/05/538010005.db2.gz WQAJPOFTVPHTRC-MNOVXSKESA-N 0 0 226.297 2.011 10 0 BEAERN CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000218219520 538010342 /nfs/dbraw/zinc/01/03/42/538010342.db2.gz HREZTDIFTLSAQP-SCZZXKLOSA-N 0 0 227.304 2.078 10 0 BEAERN Cc1cnc(N[C@H]2CCCCC[C@@H]2O)nc1C ZINC000340976976 179642150 /nfs/dbraw/zinc/64/21/50/179642150.db2.gz MJQATOOKAGLEAR-RYUDHWBXSA-N 0 0 235.331 2.199 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]1(C)Cc1ccsc1 ZINC000669383702 538011197 /nfs/dbraw/zinc/01/11/97/538011197.db2.gz VIHXYWQXRHCZIW-GXSJLCMTSA-N 0 0 226.297 2.011 10 0 BEAERN COc1ccnc(Br)c1C(C)=O ZINC000216459452 350000858 /nfs/dbraw/zinc/00/08/58/350000858.db2.gz AUZUJDLIZXNIEK-UHFFFAOYSA-N 0 0 230.061 2.055 10 0 BEAERN Cc1cc(NN)c2c(n1)onc2C(C)(C)C ZINC000669384041 538013104 /nfs/dbraw/zinc/01/31/04/538013104.db2.gz MRBQTFHOIJMKLH-UHFFFAOYSA-N 0 0 220.276 2.114 10 0 BEAERN Cc1[nH]c(=O)sc1-c1ccncc1C ZINC000000011545 179688950 /nfs/dbraw/zinc/68/89/50/179688950.db2.gz GOHAUOLTKHGONF-UHFFFAOYSA-N 0 0 206.270 2.115 10 0 BEAERN CCCC(=O)[C@@H](CC(=O)C(C)C)C(=O)OCC ZINC000725247887 538013436 /nfs/dbraw/zinc/01/34/36/538013436.db2.gz CAQWLEVZTZZRGK-SNVBAGLBSA-N 0 0 242.315 2.150 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12CCC(C)(C)C2 ZINC000669383871 538012067 /nfs/dbraw/zinc/01/20/67/538012067.db2.gz LUGXDYXTSRCRDA-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCCC[C@H]2C ZINC000669383899 538012133 /nfs/dbraw/zinc/01/21/33/538012133.db2.gz XHBPZFNSIIJAGK-MIMYLULJSA-N 0 0 232.707 2.464 10 0 BEAERN CCC(CC)n1cc(N)cc1C(=O)OC ZINC000725247355 538012392 /nfs/dbraw/zinc/01/23/92/538012392.db2.gz LQLWQOXLXXLLDZ-UHFFFAOYSA-N 0 0 210.277 2.218 10 0 BEAERN COC(=O)[C@]1(CC(C)C)OC12CC(C)C2 ZINC000669384030 538012732 /nfs/dbraw/zinc/01/27/32/538012732.db2.gz MNCGGEHFRBDOGB-NHNAUAITSA-N 0 0 212.289 2.143 10 0 BEAERN CCCc1cc(=O)c2c(CC)noc2[nH]1 ZINC000669384085 538012961 /nfs/dbraw/zinc/01/29/61/538012961.db2.gz NMRUOPOFGQUWNK-UHFFFAOYSA-N 0 0 206.245 2.443 10 0 BEAERN CCCC(=O)C[C@@H](C(=O)CCC)C(=O)OCC ZINC000725248605 538016027 /nfs/dbraw/zinc/01/60/27/538016027.db2.gz YBEUZHNUHAVQRT-NSHDSACASA-N 0 0 242.315 2.294 10 0 BEAERN CC(C)[C@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521402151 323201179 /nfs/dbraw/zinc/20/11/79/323201179.db2.gz ZWVLYJIEVFUSJK-NKWVEPMBSA-N 0 0 227.226 2.013 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)Cc1ccsc1 ZINC000669383929 538014240 /nfs/dbraw/zinc/01/42/40/538014240.db2.gz YEOPTBGUOZNHFJ-UWVGGRQHSA-N 0 0 246.715 2.188 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]1(C)Cc1ccsc1 ZINC000669384437 538014753 /nfs/dbraw/zinc/01/47/53/538014753.db2.gz VZOAIAXPUOJFFQ-RYUDHWBXSA-N 0 0 240.324 2.401 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12CC1CCC2CC1 ZINC000669384458 538015762 /nfs/dbraw/zinc/01/57/62/538015762.db2.gz WJNJWPWYAOYFEP-IOCWDNCASA-N 0 0 224.300 2.287 10 0 BEAERN CCCc1cc(NN)c2c(CC)noc2n1 ZINC000669384408 538015222 /nfs/dbraw/zinc/01/52/22/538015222.db2.gz VNFIUTSQORCJSW-UHFFFAOYSA-N 0 0 220.276 2.023 10 0 BEAERN CCC[C@@]1(CC)O[C@]1(CC)C(=O)OC ZINC000669384320 538015377 /nfs/dbraw/zinc/01/53/77/538015377.db2.gz SVFDZQRVCOZILG-GHMZBOCLSA-N 0 0 200.278 2.287 10 0 BEAERN Cc1cnccc1NC(=O)c1ccccc1N ZINC000111238507 179712372 /nfs/dbraw/zinc/71/23/72/179712372.db2.gz FRAHNVVELRAOBW-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Nc1cn(Cc2ccc(Cl)s2)cn1 ZINC000725248859 538018324 /nfs/dbraw/zinc/01/83/24/538018324.db2.gz INDWDANVAVGBCW-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN Nc1cn(Cc2sccc2Cl)cn1 ZINC000725248848 538018386 /nfs/dbraw/zinc/01/83/86/538018386.db2.gz GGEGHVWZFQEAKD-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CCc1noc2nc(C(F)F)cc(N)c12 ZINC000669384493 538016533 /nfs/dbraw/zinc/01/65/33/538016533.db2.gz WWVXLWXEVVJJKK-UHFFFAOYSA-N 0 0 213.187 2.305 10 0 BEAERN C[C@@H]1CCCC[C@H]1n1cc(N)ccc1=O ZINC000725249255 538019221 /nfs/dbraw/zinc/01/92/21/538019221.db2.gz OCTALNHGXQOXRG-MWLCHTKSSA-N 0 0 206.289 2.182 10 0 BEAERN CC[C@H](C)[C@@H](C)n1nc(N)nc1Br ZINC000725249247 538019234 /nfs/dbraw/zinc/01/92/34/538019234.db2.gz LHHFIONJZPWFTR-NTSWFWBYSA-N 0 0 247.140 2.230 10 0 BEAERN C[C@H]1CCC[C@H](n2cc(N)ccc2=O)C1 ZINC000725249201 538019675 /nfs/dbraw/zinc/01/96/75/538019675.db2.gz ZDHCCBKQROTCQO-ONGXEEELSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@H]1CCCC[C@H]1n1ccc(=O)c(N)c1 ZINC000725249266 538019777 /nfs/dbraw/zinc/01/97/77/538019777.db2.gz UDSZVWQJTCNVGM-GXSJLCMTSA-N 0 0 206.289 2.182 10 0 BEAERN COC(=O)c1cc(N)cn1[C@H](C)C(C)C ZINC000725249262 538019924 /nfs/dbraw/zinc/01/99/24/538019924.db2.gz QRROTVSQEJSSMR-MRVPVSSYSA-N 0 0 210.277 2.074 10 0 BEAERN C[C@@H]1CCCC[C@H]1n1ccc(=O)c(N)c1 ZINC000725249268 538020054 /nfs/dbraw/zinc/02/00/54/538020054.db2.gz UDSZVWQJTCNVGM-MWLCHTKSSA-N 0 0 206.289 2.182 10 0 BEAERN CC[C@@H](C)[C@@H](C)n1c(C)c(N)ccc1=O ZINC000725249287 538020078 /nfs/dbraw/zinc/02/00/78/538020078.db2.gz ZRFUTHMRUNEKGM-RKDXNWHRSA-N 0 0 208.305 2.346 10 0 BEAERN CC[C@@H](C)[C@H](C)n1nc(N)nc1Br ZINC000725249249 538020224 /nfs/dbraw/zinc/02/02/24/538020224.db2.gz LHHFIONJZPWFTR-RITPCOANSA-N 0 0 247.140 2.230 10 0 BEAERN c1cn2c(n1)-c1nccn1-c1ccccc1-2 ZINC000198960132 349050473 /nfs/dbraw/zinc/05/04/73/349050473.db2.gz XFHXKNZQKGBXQW-UHFFFAOYSA-N 0 0 208.224 2.038 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@@H](C)C[C@H]2C ZINC000250671677 538024166 /nfs/dbraw/zinc/02/41/66/538024166.db2.gz MPCLRCRVHKZOBI-SVDPJWKOSA-N 0 0 212.289 2.143 10 0 BEAERN CCc1nn(CC(C)(C)F)c(CC)c1N ZINC000725249994 538022812 /nfs/dbraw/zinc/02/28/12/538022812.db2.gz PLDVHNWYNDCOBG-UHFFFAOYSA-N 0 0 213.300 2.338 10 0 BEAERN C/C=C(\C)C(=O)NCc1c(C)ccc(N)c1C ZINC000616573515 349071718 /nfs/dbraw/zinc/07/17/18/349071718.db2.gz SNAHZLSAANRWNF-WEVVVXLNSA-N 0 0 232.327 2.468 10 0 BEAERN Cc1ccc(N)c(C)c1CNC(=O)C(C)C ZINC000616574394 349077984 /nfs/dbraw/zinc/07/79/84/349077984.db2.gz ZGJNVENGWSCDLF-UHFFFAOYSA-N 0 0 220.316 2.158 10 0 BEAERN COC(=O)c1cc(C)c2c(c1F)CCCN2 ZINC000616574610 349080156 /nfs/dbraw/zinc/08/01/56/349080156.db2.gz UFEJOMYUWOHGAI-UHFFFAOYSA-N 0 0 223.247 2.279 10 0 BEAERN COC(=O)c1cc(C=O)cc(OC(F)(F)F)c1 ZINC000616575405 349095328 /nfs/dbraw/zinc/09/53/28/349095328.db2.gz CTNKBYYQXJAEQH-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN CC[C@@H]([NH3+])c1nc(C)cc(C(F)F)n1 ZINC000616577161 349108094 /nfs/dbraw/zinc/10/80/94/349108094.db2.gz IYLXDNOATGMHFI-ZCFIWIBFSA-N 0 0 201.220 2.132 10 0 BEAERN COc1n[nH]c(N)c1-c1ccc(Cl)cc1 ZINC000616576075 349099449 /nfs/dbraw/zinc/09/94/49/349099449.db2.gz FIYYCEGWWHBMSQ-UHFFFAOYSA-N 0 0 223.663 2.321 10 0 BEAERN CCOc1ccc(OC(F)(F)F)c(C(N)=O)c1 ZINC000616576797 349103640 /nfs/dbraw/zinc/10/36/40/349103640.db2.gz QTRVWRSJGQYZCQ-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CC(=O)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000057535072 349150433 /nfs/dbraw/zinc/15/04/33/349150433.db2.gz YTNLRAJHVQWKKC-UHFFFAOYSA-N 0 0 245.322 2.057 10 0 BEAERN COc1ccc(-c2nc(C)c(C)n2O)cc1 ZINC000247843250 349113148 /nfs/dbraw/zinc/11/31/48/349113148.db2.gz GEDRVQSMDFOYOD-UHFFFAOYSA-N 0 0 218.256 2.413 10 0 BEAERN CC[C@]1(C(=O)[O-])CC[N@@H+](C2CCCC2)C1 ZINC000062937239 349125410 /nfs/dbraw/zinc/12/54/10/349125410.db2.gz LPFGWATVNGDTIF-LBPRGKRZSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H](Cn1ncc(N)n1)C1CCCCC1 ZINC000725250575 538026078 /nfs/dbraw/zinc/02/60/78/538026078.db2.gz LYMWFZNWNCTYJH-SECBINFHSA-N 0 0 208.309 2.077 10 0 BEAERN C[C@@]1(C(=O)[O-])CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250792594 349179390 /nfs/dbraw/zinc/17/93/90/349179390.db2.gz KCGNKDITBJVVOQ-IUODEOHRSA-N 0 0 245.322 2.123 10 0 BEAERN Cc1csc(Cc2noc(NC(C)C)n2)n1 ZINC000055269909 179781476 /nfs/dbraw/zinc/78/14/76/179781476.db2.gz PFXXLWAEIPIILQ-UHFFFAOYSA-N 0 0 238.316 2.246 10 0 BEAERN Cc1csc(NCc2cc(C)on2)n1 ZINC000044726196 179788638 /nfs/dbraw/zinc/78/86/38/179788638.db2.gz OCTGTQDITIUYPP-UHFFFAOYSA-N 0 0 209.274 2.360 10 0 BEAERN Cc1csc2nc(C(F)(F)F)c(CO)n12 ZINC000095929651 179799986 /nfs/dbraw/zinc/79/99/86/179799986.db2.gz YCWVVCZJPQBVHY-UHFFFAOYSA-N 0 0 236.218 2.215 10 0 BEAERN CC(=O)N(C(=O)C(F)(F)F)c1ccccc1 ZINC000059102685 349203460 /nfs/dbraw/zinc/20/34/60/349203460.db2.gz VWTRUQRYDJEGBN-UHFFFAOYSA-N 0 0 231.173 2.128 10 0 BEAERN CC(=O)N1C[C@@H](C(F)F)Nc2ccccc21 ZINC000616582787 349302928 /nfs/dbraw/zinc/30/29/28/349302928.db2.gz CSOZLVXRPSQFKJ-VIFPVBQESA-N 0 0 226.226 2.099 10 0 BEAERN CCOC1(C(N)=S)CCCCCC1 ZINC000159161581 349298749 /nfs/dbraw/zinc/29/87/49/349298749.db2.gz SQAUUTNEDYCPNV-UHFFFAOYSA-N 0 0 201.335 2.402 10 0 BEAERN C1CCC(ON[C@H]2CCCSC2)C1 ZINC000136959287 349261242 /nfs/dbraw/zinc/26/12/42/349261242.db2.gz KGZJNTWFSYODAW-VIFPVBQESA-N 0 0 201.335 2.346 10 0 BEAERN CC(=O)N1C[C@@H](c2ccon2)Nc2ccccc21 ZINC000616584095 349330180 /nfs/dbraw/zinc/33/01/80/349330180.db2.gz NHNKJEYYPAADFV-LBPRGKRZSA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)Cc1cc(Br)ncn1 ZINC000160932324 349345479 /nfs/dbraw/zinc/34/54/79/349345479.db2.gz OQGVCDZQNPTHES-UHFFFAOYSA-N 0 0 215.094 2.438 10 0 BEAERN COc1cc(N[C@H](C)CC(C)C)nn1C ZINC000300787972 349322299 /nfs/dbraw/zinc/32/22/99/349322299.db2.gz YIYZIJPKCRMCDS-SECBINFHSA-N 0 0 211.309 2.275 10 0 BEAERN CCOC(=O)N1CCc2ccccc2[C@H]1CCO ZINC000616585494 349367547 /nfs/dbraw/zinc/36/75/47/349367547.db2.gz PYYZPDOTAXPQLA-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN CC(=O)N1C[C@@H](c2cnoc2)Nc2ccccc21 ZINC000616585170 349369635 /nfs/dbraw/zinc/36/96/35/349369635.db2.gz WEZDRPRBVMTJQX-LBPRGKRZSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2C[C@H]2C2CC2)n1 ZINC000309853376 179916911 /nfs/dbraw/zinc/91/69/11/179916911.db2.gz JQAOADQYHFITGJ-UWVGGRQHSA-N 0 0 221.279 2.443 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1c1ccno1 ZINC000616586445 349408497 /nfs/dbraw/zinc/40/84/97/349408497.db2.gz PTLXXIQWBPIENR-GFCCVEGCSA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)(C)[C@@H]1C[C@H]2CC[C@H](C(=O)[O-])C[N@@H+]2C1 ZINC000725254207 538044168 /nfs/dbraw/zinc/04/41/68/538044168.db2.gz UOCYFYVGKKMASA-HBNTYKKESA-N 0 0 225.332 2.218 10 0 BEAERN Cc1ccn2c(c1)nc1c2CSCC1 ZINC000228016724 350014899 /nfs/dbraw/zinc/01/48/99/350014899.db2.gz QGOGRYUJYIBLHT-UHFFFAOYSA-N 0 0 204.298 2.432 10 0 BEAERN CCC=NNC(=O)c1cccc(Cl)c1 ZINC000257353304 349416385 /nfs/dbraw/zinc/41/63/85/349416385.db2.gz QKQRDGDGGSZOBL-UHFFFAOYSA-N 0 0 210.664 2.466 10 0 BEAERN COc1ccccc1CC[C@H](O)C1CC1 ZINC000070650252 350039125 /nfs/dbraw/zinc/03/91/25/350039125.db2.gz ZYYYVLICQVOPBV-LBPRGKRZSA-N 0 0 206.285 2.399 10 0 BEAERN CN1CC(Cl)=Nc2ccc(F)cc2C1=O ZINC000071973206 191004906 /nfs/dbraw/zinc/00/49/06/191004906.db2.gz VBMMLXOEDIOYJL-UHFFFAOYSA-N 0 0 226.638 2.180 10 0 BEAERN Cc1nc(C[C@@H]2CC2(Cl)Cl)no1 ZINC000000159592 179982677 /nfs/dbraw/zinc/98/26/77/179982677.db2.gz LTIVZCZHXZVVSS-RXMQYKEDSA-N 0 0 207.060 2.114 10 0 BEAERN CCOC(=O)C(C)(C)[C@]1(O)CC[C@H](C)C1 ZINC000070766925 350058459 /nfs/dbraw/zinc/05/84/59/350058459.db2.gz OTCVEBBINGITSH-CABZTGNLSA-N 0 0 214.305 2.127 10 0 BEAERN Cc1ccccc1CCC(=O)N[C@@H]1C[C@H]1C ZINC000103435269 323248187 /nfs/dbraw/zinc/24/81/87/323248187.db2.gz SXDURMVMXAHABJ-DGCLKSJQSA-N 0 0 217.312 2.452 10 0 BEAERN Cc1nc(Cl)ccc1C(=O)N[C@@H]1C[C@H]1C ZINC000123360967 179989454 /nfs/dbraw/zinc/98/94/54/179989454.db2.gz LNDKGJFXEADBDU-HZGVNTEJSA-N 0 0 224.691 2.182 10 0 BEAERN CC(C)c1nc2ccc(F)cn2c1C=O ZINC000228027166 350087817 /nfs/dbraw/zinc/08/78/17/350087817.db2.gz OGYJGWYERMXQAM-UHFFFAOYSA-N 0 0 206.220 2.409 10 0 BEAERN Cc1nc(N)sc1S[C@H]1CCCC[C@@H]1O ZINC000037691851 180001349 /nfs/dbraw/zinc/00/13/49/180001349.db2.gz NOUCJZOFHAXGLB-YUMQZZPRSA-N 0 0 244.385 2.429 10 0 BEAERN C[C@@H]1CCN(C2N=NC(=S)S2)[C@H](C)C1 ZINC000051747390 350088174 /nfs/dbraw/zinc/08/81/74/350088174.db2.gz UQOUCGURWQJDNV-RNFRBKRXSA-N 0 0 229.374 2.452 10 0 BEAERN COc1ccc2cccc(CCO)c2c1 ZINC000034091376 259410047 /nfs/dbraw/zinc/41/00/47/259410047.db2.gz VDIFLYQCJAFOLQ-UHFFFAOYSA-N 0 0 202.253 2.383 10 0 BEAERN Cc1nc(NC(=O)OC(C)(C)C)sc1N ZINC000074372939 180010275 /nfs/dbraw/zinc/01/02/75/180010275.db2.gz NPOWRZUVLTYPER-UHFFFAOYSA-N 0 0 229.305 2.381 10 0 BEAERN Cc1nc2[nH]ccc2c(NC2CCC2)n1 ZINC000027987491 180015939 /nfs/dbraw/zinc/01/59/39/180015939.db2.gz YKOFIURKTHXXTH-UHFFFAOYSA-N 0 0 202.261 2.231 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000251689978 538050759 /nfs/dbraw/zinc/05/07/59/538050759.db2.gz HDTNXHNMXBIMSI-QSFUFRPTSA-N 0 0 212.289 2.143 10 0 BEAERN OC[C@@H]1C=Cc2cccc(Br)c2O1 ZINC000088247340 191018197 /nfs/dbraw/zinc/01/81/97/191018197.db2.gz IVYNRKBLFZUVTM-QMMMGPOBSA-N 0 0 241.084 2.216 10 0 BEAERN Cc1nc(N[C@@H](C)[C@H](C)CO)sc1C ZINC000122084153 180023199 /nfs/dbraw/zinc/02/31/99/180023199.db2.gz DGVMKXUCNVVHJM-RQJHMYQMSA-N 0 0 214.334 2.189 10 0 BEAERN CCS(=O)(=O)C[C@H](C)Nc1cscc1C ZINC000132156728 191026300 /nfs/dbraw/zinc/02/63/00/191026300.db2.gz OVQFEOYQZYWRKG-VIFPVBQESA-N 0 0 247.385 2.292 10 0 BEAERN Cc1nc([C@@H](C)NCc2cn[nH]c2)c(C)s1 ZINC000038006007 180037807 /nfs/dbraw/zinc/03/78/07/180037807.db2.gz OLHMQQOSGHEOFH-SSDOTTSWSA-N 0 0 236.344 2.334 10 0 BEAERN Cc1nc2c(ccnc2Br)o1 ZINC000299890185 180061243 /nfs/dbraw/zinc/06/12/43/180061243.db2.gz VLMFZCMRUUZCNT-UHFFFAOYSA-N 0 0 213.034 2.294 10 0 BEAERN Cc1nc2c(C)cc(Cl)cn2c1CO ZINC000082693458 180063390 /nfs/dbraw/zinc/06/33/90/180063390.db2.gz AONMXRSOERHPNA-UHFFFAOYSA-N 0 0 210.664 2.097 10 0 BEAERN Cc1nc2cc(N)cc(Br)c2o1 ZINC000062529368 180081662 /nfs/dbraw/zinc/08/16/62/180081662.db2.gz UTDHUHRDECNABQ-UHFFFAOYSA-N 0 0 227.061 2.481 10 0 BEAERN C[C@H](c1ccc(C(C)(C)C)cc1)S(N)(=O)=O ZINC000050350396 538056328 /nfs/dbraw/zinc/05/63/28/538056328.db2.gz DSQKOZVIXNQOAI-SECBINFHSA-N 0 0 241.356 2.334 10 0 BEAERN Cc1nc2c(c(N[C@H]3CCO[C@H]3C)n1)CCCC2 ZINC000302069625 180069586 /nfs/dbraw/zinc/06/95/86/180069586.db2.gz DRJWIIRCOZVIIK-CABZTGNLSA-N 0 0 247.342 2.253 10 0 BEAERN Cc1[nH]c2nc(-c3ccco3)nn2c(=S)c1C ZINC000057341075 180114817 /nfs/dbraw/zinc/11/48/17/180114817.db2.gz SWXKBEZGIKRSQP-UHFFFAOYSA-N 0 0 246.295 2.290 10 0 BEAERN C[C@@H](C[C@H]1CCCO1)NC(=O)NC(C)(C)C ZINC000132738139 191035459 /nfs/dbraw/zinc/03/54/59/191035459.db2.gz CAAXTDRMYFZXGP-VHSXEESVSA-N 0 0 228.336 2.042 10 0 BEAERN O[C@@H]1CCCc2ncc(Br)cc21 ZINC000220019582 350156751 /nfs/dbraw/zinc/15/67/51/350156751.db2.gz UUACVTJISTUWRW-SECBINFHSA-N 0 0 228.089 2.214 10 0 BEAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccco1 ZINC000090227003 180110384 /nfs/dbraw/zinc/11/03/84/180110384.db2.gz IZARBMYDVIVBSV-MWLCHTKSSA-N 0 0 246.314 2.365 10 0 BEAERN CCOC(=O)COc1cccc(OCC)c1 ZINC000051845104 350160402 /nfs/dbraw/zinc/16/04/02/350160402.db2.gz CYTGKMUPGLMKEG-UHFFFAOYSA-N 0 0 224.256 2.027 10 0 BEAERN CN(c1ccnc(Cl)n1)[C@@H]1CCSC1 ZINC000051849468 350161189 /nfs/dbraw/zinc/16/11/89/350161189.db2.gz PNIGVDANDYMIGN-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN Cc1nc2cccc(OC[C@@H]3CO3)c2s1 ZINC000039645135 180100345 /nfs/dbraw/zinc/10/03/45/180100345.db2.gz GTWJCBGHLVAPQB-QMMMGPOBSA-N 0 0 221.281 2.382 10 0 BEAERN Cc1nc2ccccc2n1C[C@H](C)C(N)=S ZINC000036678321 180103543 /nfs/dbraw/zinc/10/35/43/180103543.db2.gz BBMGEWUZMMNIDL-QMMMGPOBSA-N 0 0 233.340 2.267 10 0 BEAERN Cc1nc2ccccc2nc1NCc1cn[nH]c1 ZINC000052099429 180105320 /nfs/dbraw/zinc/10/53/20/180105320.db2.gz USNWFWPRPXRXGR-UHFFFAOYSA-N 0 0 239.282 2.273 10 0 BEAERN Cc1ncc(CN(C)C(=O)N[C@H]2C[C@@H]2C)s1 ZINC000170808125 180137488 /nfs/dbraw/zinc/13/74/88/180137488.db2.gz BJLBBVPUWTZYEG-XVKPBYJWSA-N 0 0 239.344 2.001 10 0 BEAERN CC(C)CC(O)=CC(=O)C(F)(F)C(F)F ZINC000100316401 191062505 /nfs/dbraw/zinc/06/25/05/191062505.db2.gz RMINFXRXUDKHLV-UHFFFAOYSA-N 0 0 228.185 2.461 10 0 BEAERN Cc1ncc(N)cc1C(=O)Nc1ccccc1F ZINC000038094861 180163410 /nfs/dbraw/zinc/16/34/10/180163410.db2.gz MXWBLUUAIWCATM-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1ncc(N)cc1C(=O)Nc1ccc(F)cc1 ZINC000038094856 180164004 /nfs/dbraw/zinc/16/40/04/180164004.db2.gz PPEXJOOOUSSIRC-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000038095097 180164007 /nfs/dbraw/zinc/16/40/07/180164007.db2.gz HFHJCMSMDOUEQY-JOYOIKCWSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000038094879 180164558 /nfs/dbraw/zinc/16/45/58/180164558.db2.gz KCMLHVOPXXHBLV-AOOOYVTPSA-N 0 0 247.342 2.090 10 0 BEAERN Cc1ncc(CNC(=O)c2ccc(O)cc2)s1 ZINC000049534806 180149411 /nfs/dbraw/zinc/14/94/11/180149411.db2.gz UIKNMWGUDBTRHN-UHFFFAOYSA-N 0 0 248.307 2.087 10 0 BEAERN Cc1nn(COCc2ccccc2)c(C)c1N ZINC000230079099 538068972 /nfs/dbraw/zinc/06/89/72/538068972.db2.gz MQLLTNFCJHGZAW-UHFFFAOYSA-N 0 0 231.299 2.256 10 0 BEAERN Cc1ncsc1[C@H](C)NCc1ccnc(C)n1 ZINC000038037796 180192214 /nfs/dbraw/zinc/19/22/14/180192214.db2.gz HQNOJFLIYLQAMR-QMMMGPOBSA-N 0 0 248.355 2.401 10 0 BEAERN Cc1nccc(Oc2ccc(CCO)cc2)n1 ZINC000157308706 180206863 /nfs/dbraw/zinc/20/68/63/180206863.db2.gz RLGHZTFEVQDQRU-UHFFFAOYSA-N 0 0 230.267 2.112 10 0 BEAERN Cc1nccc(Nc2cccc(N)c2)n1 ZINC000054935564 180208408 /nfs/dbraw/zinc/20/84/08/180208408.db2.gz KRTSCQIIEUTYRB-UHFFFAOYSA-N 0 0 200.245 2.111 10 0 BEAERN Cc1c(CNc2cccnc2C)cnn1C ZINC000086552183 180226999 /nfs/dbraw/zinc/22/69/99/180226999.db2.gz MGDNPAYIMFCJMF-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN COCOc1ccc(C=O)c(O)c1C1CC1 ZINC000222168406 350232105 /nfs/dbraw/zinc/23/21/05/350232105.db2.gz XMXNXGSGDPRPJV-UHFFFAOYSA-N 0 0 222.240 2.065 10 0 BEAERN Cc1nccn1-c1ccc(Br)nc1 ZINC000072193000 180229130 /nfs/dbraw/zinc/22/91/30/180229130.db2.gz QLJUPFBQRCHETH-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCCc1ccccc1F ZINC000075982466 350248220 /nfs/dbraw/zinc/24/82/20/350248220.db2.gz HZHXOEPQLYWADD-SKDRFNHKSA-N 0 0 236.290 2.076 10 0 BEAERN Cc1nccn1CCNc1ccccc1F ZINC000049329892 180262801 /nfs/dbraw/zinc/26/28/01/180262801.db2.gz WNMZWOXSUGYLFQ-UHFFFAOYSA-N 0 0 219.263 2.443 10 0 BEAERN Cc1nccn1CCOc1ccccc1[C@H](C)O ZINC000049330915 180262987 /nfs/dbraw/zinc/26/29/87/180262987.db2.gz WSIISALNGTXZJM-NSHDSACASA-N 0 0 246.310 2.324 10 0 BEAERN C[C@@H](Nc1nc(C2CC2)ns1)[C@H]1CCCO1 ZINC000083653108 350271686 /nfs/dbraw/zinc/27/16/86/350271686.db2.gz PJJTWRYRIHYLDZ-VXNVDRBHSA-N 0 0 239.344 2.395 10 0 BEAERN Cc1nccn1Cc1ccc(Cl)c(N)c1 ZINC000037402492 180267901 /nfs/dbraw/zinc/26/79/01/180267901.db2.gz MUHYOBBBKHWZMK-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CCOC1OC(=O)C=C1Cc1ccccc1 ZINC000223328545 350273231 /nfs/dbraw/zinc/27/32/31/350273231.db2.gz PYAIMHPXZOYNNS-ZDUSSCGKSA-N 0 0 218.252 2.075 10 0 BEAERN Cc1ncn2cc(Br)sc12 ZINC000095830904 180288666 /nfs/dbraw/zinc/28/86/66/180288666.db2.gz RBDFLWLOMGZUDL-UHFFFAOYSA-N 0 0 217.091 2.467 10 0 BEAERN O=Cc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053676 350300164 /nfs/dbraw/zinc/30/01/64/350300164.db2.gz BRYOXQDXHNHKHG-UHFFFAOYSA-N 0 0 224.622 2.477 10 0 BEAERN OCc1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053692 350300174 /nfs/dbraw/zinc/30/01/74/350300174.db2.gz PKQYQLHQNTXQDO-UHFFFAOYSA-N 0 0 208.648 2.018 10 0 BEAERN Cc1ncn(Cc2ccccc2N)c1C ZINC000051925949 180289565 /nfs/dbraw/zinc/28/95/65/180289565.db2.gz FNPJTSBSYURHCS-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Brc1cnn(Cc2cscn2)c1 ZINC000038074794 350301755 /nfs/dbraw/zinc/30/17/55/350301755.db2.gz KUOOTVHPRJUNPG-UHFFFAOYSA-N 0 0 244.117 2.150 10 0 BEAERN COc1cccc(CNc2ncccc2N)c1 ZINC000038077966 350304989 /nfs/dbraw/zinc/30/49/89/350304989.db2.gz FKFRUXUVADBJJK-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN Cc1ccc(-n2cc(Br)cn2)nc1 ZINC000038074882 350305022 /nfs/dbraw/zinc/30/50/22/350305022.db2.gz KFUXOTYYNIYEBK-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1csc(NCC[C@@H]2CCCO2)n1 ZINC000038097459 350305479 /nfs/dbraw/zinc/30/54/79/350305479.db2.gz MDXSVSPTHZUBOD-VIFPVBQESA-N 0 0 212.318 2.433 10 0 BEAERN Oc1ccc(S[C@H]2CCC[C@H]2O)cc1 ZINC000038078944 350305561 /nfs/dbraw/zinc/30/55/61/350305561.db2.gz VPXWPXKMPGJCKX-MNOVXSKESA-N 0 0 210.298 2.398 10 0 BEAERN NCC(=O)c1c(Cl)ccc(F)c1Cl ZINC000038136785 350308183 /nfs/dbraw/zinc/30/81/83/350308183.db2.gz JANBUCCLITXVCF-UHFFFAOYSA-N 0 0 222.046 2.274 10 0 BEAERN Cn1cc2c(cc(N)cc2C(F)(F)F)n1 ZINC000224451595 350322825 /nfs/dbraw/zinc/32/28/25/350322825.db2.gz KRWLNVVRQLTECY-UHFFFAOYSA-N 0 0 215.178 2.174 10 0 BEAERN C[C@@H]1CCCN1c1nsnc1Cl ZINC000037912435 350290990 /nfs/dbraw/zinc/29/09/90/350290990.db2.gz JXKYTTYUWINIBR-RXMQYKEDSA-N 0 0 203.698 2.180 10 0 BEAERN COC(=O)C(C)(C)Nc1ccccc1C ZINC000037954615 350292708 /nfs/dbraw/zinc/29/27/08/350292708.db2.gz FJBQZMNDVZENDX-UHFFFAOYSA-N 0 0 207.273 2.359 10 0 BEAERN CCOC(=O)c1cn2c(ccc(Cl)c2C)n1 ZINC000309359758 350352388 /nfs/dbraw/zinc/35/23/88/350352388.db2.gz KHENIFBNPRSYEY-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN Cc1ncsc1CCn1nc(C)c(C=O)c1C ZINC000050285442 180310565 /nfs/dbraw/zinc/31/05/65/180310565.db2.gz INOAZCLTXBJTPP-UHFFFAOYSA-N 0 0 249.339 2.320 10 0 BEAERN CCC[C@H](C)NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000606619423 350393669 /nfs/dbraw/zinc/39/36/69/350393669.db2.gz ZQEOCIALEZXYDW-HBNTYKKESA-N 0 0 210.321 2.369 10 0 BEAERN COc1cc(Cl)cc2n[nH]c(C=O)c21 ZINC000014983330 350396235 /nfs/dbraw/zinc/39/62/35/350396235.db2.gz BCADYDIYEVNQIH-UHFFFAOYSA-N 0 0 210.620 2.037 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H](C)CC(C)C)c1N ZINC000042578127 180353461 /nfs/dbraw/zinc/35/34/61/180353461.db2.gz JAPZBVMISABAHQ-VIFPVBQESA-N 0 0 224.352 2.182 10 0 BEAERN Cc1nn(C)c(N)c1C(=O)c1cccc(Cl)c1 ZINC000029211445 180355911 /nfs/dbraw/zinc/35/59/11/180355911.db2.gz RWYMLFOIYCJGRR-UHFFFAOYSA-N 0 0 249.701 2.195 10 0 BEAERN Cc1nn(C)c(NCCc2ccsc2)c1N ZINC000042598991 180357662 /nfs/dbraw/zinc/35/76/62/180357662.db2.gz FZYPSMRSTQLMOW-UHFFFAOYSA-N 0 0 236.344 2.027 10 0 BEAERN Cc1nn(C)c(NCc2cccc(F)c2)c1N ZINC000036749101 180357886 /nfs/dbraw/zinc/35/78/86/180357886.db2.gz RAGRSSJTBOYIBJ-UHFFFAOYSA-N 0 0 234.278 2.062 10 0 BEAERN Cc1nn(C)c(NC2(C)CCCC2)c1N ZINC000042176499 180358535 /nfs/dbraw/zinc/35/85/35/180358535.db2.gz CALAQUDASBBZEM-UHFFFAOYSA-N 0 0 208.309 2.055 10 0 BEAERN Cc1nn(C)c(N[C@H]2CCC[C@@H](C)C2)c1N ZINC000036749330 180360019 /nfs/dbraw/zinc/36/00/19/180360019.db2.gz OTVJXEDEMJKOIA-SCZZXKLOSA-N 0 0 222.336 2.301 10 0 BEAERN OCc1cccc(COc2ccc(F)cn2)c1 ZINC000725265032 538092851 /nfs/dbraw/zinc/09/28/51/538092851.db2.gz XDINVQXJZQQDRQ-UHFFFAOYSA-N 0 0 233.242 2.292 10 0 BEAERN Cc1nn(C)c(Oc2ccccc2)c1N ZINC000036749491 180362097 /nfs/dbraw/zinc/36/20/97/180362097.db2.gz FPJCMRWNLHLVAF-UHFFFAOYSA-N 0 0 203.245 2.103 10 0 BEAERN Cc1nn(C)c2c1[C@@H](O)C[C@H](c1ccccc1)C2 ZINC000072415945 180362132 /nfs/dbraw/zinc/36/21/32/180362132.db2.gz YFCQUNMUPSGZLO-OCCSQVGLSA-N 0 0 242.322 2.492 10 0 BEAERN O=C(NCCc1ccc2c(c1)CCCN2)C1CC1 ZINC000725264958 538093007 /nfs/dbraw/zinc/09/30/07/538093007.db2.gz AZMILGKGYOXVHK-UHFFFAOYSA-N 0 0 244.338 2.113 10 0 BEAERN Cc1nn(C)cc1/C=C/c1ccc(N)cc1 ZINC000075622894 180366057 /nfs/dbraw/zinc/36/60/57/180366057.db2.gz MQKJYUOHZLBSRO-ZZXKWVIFSA-N 0 0 213.284 2.481 10 0 BEAERN Cc1nn(C)cc1NCc1ccc(O)cc1 ZINC000020352737 180377232 /nfs/dbraw/zinc/37/72/32/180377232.db2.gz HVBXAAZMKSBLCC-UHFFFAOYSA-N 0 0 217.272 2.046 10 0 BEAERN O=Cc1cc(-c2ccsc2)nn1CCF ZINC000409443940 350483489 /nfs/dbraw/zinc/48/34/89/350483489.db2.gz XBGBTYNNULMJAW-UHFFFAOYSA-N 0 0 224.260 2.394 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@@]12CC[C@H](C)C2 ZINC000252583480 538094503 /nfs/dbraw/zinc/09/45/03/538094503.db2.gz XXGJCPZAQQQKHU-WCQGTBRESA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nn([C@@H](C)c2ccncc2)c(N)c1Cl ZINC000043667553 180392453 /nfs/dbraw/zinc/39/24/53/180392453.db2.gz DQXLUHTVZWQXNL-QMMMGPOBSA-N 0 0 236.706 2.431 10 0 BEAERN Cc1nn([C@H]2CCCCO2)c(Cl)c1C=O ZINC000095774212 180393504 /nfs/dbraw/zinc/39/35/04/180393504.db2.gz ZWJHSPKJYOUCHY-SECBINFHSA-N 0 0 228.679 2.357 10 0 BEAERN C/C(=C/Cl)C[C@H]1CCCCNC1=O ZINC000308109944 350517940 /nfs/dbraw/zinc/51/79/40/350517940.db2.gz LDEMIGITVWHMDC-UFGYOYAJSA-N 0 0 201.697 2.435 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(O)c1 ZINC000227616677 350503744 /nfs/dbraw/zinc/50/37/44/350503744.db2.gz SAWUNOFQBBQQHS-JOYOIKCWSA-N 0 0 219.284 2.311 10 0 BEAERN CCc1csc(N[C@H]2CCCC[C@H]2O)n1 ZINC000061894736 350532678 /nfs/dbraw/zinc/53/26/78/350532678.db2.gz SGYZYXQRIXVKMN-VHSXEESVSA-N 0 0 226.345 2.421 10 0 BEAERN CC(C)n1c(CC(F)(F)F)n[nH]c1=S ZINC000228204222 350533588 /nfs/dbraw/zinc/53/35/88/350533588.db2.gz PCNAVNVMHAILGB-UHFFFAOYSA-N 0 0 225.239 2.253 10 0 BEAERN CCN(CC)c1ccc2c(c1)O[C@H](C(=O)OC)C2 ZINC000725266467 538095279 /nfs/dbraw/zinc/09/52/79/538095279.db2.gz VIRKSKPPTKCWHF-ZDUSSCGKSA-N 0 0 249.310 2.009 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H]1CCCC12CC2 ZINC000725266585 538095282 /nfs/dbraw/zinc/09/52/82/538095282.db2.gz RLYYEQDVEVZJRE-QMMMGPOBSA-N 0 0 235.287 2.029 10 0 BEAERN O=Cc1c(C2CC2)nc2ccc(F)cn12 ZINC000228027178 350525418 /nfs/dbraw/zinc/52/54/18/350525418.db2.gz ADOACMGBFGFUME-UHFFFAOYSA-N 0 0 204.204 2.163 10 0 BEAERN Nc1ccc(Cl)nc1Sc1nncs1 ZINC000228450418 350542458 /nfs/dbraw/zinc/54/24/58/350542458.db2.gz USHAXTPZEFPORH-UHFFFAOYSA-N 0 0 244.732 2.320 10 0 BEAERN CNC(=S)N[C@@H](C)c1cccc(Cl)c1 ZINC000007578983 362966775 /nfs/dbraw/zinc/96/67/75/362966775.db2.gz CKJYGYZFUVNPKX-ZETCQYMHSA-N 0 0 228.748 2.495 10 0 BEAERN COc1ccsc1[C@H](O)c1ccco1 ZINC000229500146 350578584 /nfs/dbraw/zinc/57/85/84/350578584.db2.gz BVAAIZGJKWWKCY-SECBINFHSA-N 0 0 210.254 2.431 10 0 BEAERN O=Cc1c2cccnc2[nH]c1-c1ccncc1 ZINC000616593574 350582084 /nfs/dbraw/zinc/58/20/84/350582084.db2.gz XQIMJIWKSGURGY-UHFFFAOYSA-N 0 0 223.235 2.437 10 0 BEAERN CCC[C@@H](CCCN[C@H](CC)C(=O)OC)OC ZINC000725267008 538097037 /nfs/dbraw/zinc/09/70/37/538097037.db2.gz QBAACVBIZRRPMD-NWDGAFQWSA-N 0 0 245.363 2.123 10 0 BEAERN COC(=O)[C@H]1CCc2ccccc2N1C(C)C ZINC000616595989 350616856 /nfs/dbraw/zinc/61/68/56/350616856.db2.gz OSDAXNVWVZURSR-CYBMUJFWSA-N 0 0 233.311 2.389 10 0 BEAERN Cn1cncc1C(=O)c1cnc2ccccc2c1 ZINC000148838290 191113536 /nfs/dbraw/zinc/11/35/36/191113536.db2.gz DEWICHSPQPNELH-UHFFFAOYSA-N 0 0 237.262 2.199 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1c1ccon1 ZINC000616595938 350612813 /nfs/dbraw/zinc/61/28/13/350612813.db2.gz YWIGHEPHVVWDNL-AWEZNQCLSA-N 0 0 244.294 2.161 10 0 BEAERN c1cc2ccncc2c([C@@H]2COCCC[NH2+]2)c1 ZINC000616597218 350646348 /nfs/dbraw/zinc/64/63/48/350646348.db2.gz OBIYSAWXUJYXJC-AWEZNQCLSA-N 0 0 228.295 2.286 10 0 BEAERN Cc1noc(-c2ccccc2N[C@H]2CCOC2)n1 ZINC000104052006 180459462 /nfs/dbraw/zinc/45/94/62/180459462.db2.gz RXCSIFXCWHAIKU-JTQLQIEISA-N 0 0 245.282 2.246 10 0 BEAERN Cc1noc(C)c1C(=O)Nc1ccccc1N ZINC000036269940 180464620 /nfs/dbraw/zinc/46/46/20/180464620.db2.gz CEJKUPOTUVWTJG-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN CCCCS[C@@H](C)C(=O)NCC1(C)COC1 ZINC000112619259 350655486 /nfs/dbraw/zinc/65/54/86/350655486.db2.gz YSNVNIFWONMSIJ-JTQLQIEISA-N 0 0 245.388 2.061 10 0 BEAERN Nc1ccc2nc([C@H]3CCCOC3)c(O)cc2c1 ZINC000725267442 538098249 /nfs/dbraw/zinc/09/82/49/538098249.db2.gz HHJWDWMDPSVAHC-VIFPVBQESA-N 0 0 244.294 2.417 10 0 BEAERN CC[C@@H](SC)C(=O)N[C@@H](C)C(C)C ZINC000124542024 350702655 /nfs/dbraw/zinc/70/26/55/350702655.db2.gz QDPFQGYQNNBANG-DTWKUNHWSA-N 0 0 203.351 2.289 10 0 BEAERN CSC1CCC(NC(=O)C(F)(F)F)CC1 ZINC000235138790 350712006 /nfs/dbraw/zinc/71/20/06/350712006.db2.gz URKKHZCOWJDIEN-UHFFFAOYSA-N 0 0 241.278 2.339 10 0 BEAERN CC(C)(C)c1nsc(N[C@H]2CCC[C@H]2O)n1 ZINC000302383939 191119322 /nfs/dbraw/zinc/11/93/22/191119322.db2.gz CCDIFFKXJAJRAS-JGVFFNPUSA-N 0 0 241.360 2.161 10 0 BEAERN Fc1cc(F)c(N2CCCCC2)nc1F ZINC000236277650 350732934 /nfs/dbraw/zinc/73/29/34/350732934.db2.gz FGFDZARYQPVFLB-UHFFFAOYSA-N 0 0 216.206 2.489 10 0 BEAERN Nc1cnc(C(F)(F)F)cc1OCC(F)F ZINC000236346097 350735229 /nfs/dbraw/zinc/73/52/29/350735229.db2.gz WMTUETMWJOTERF-UHFFFAOYSA-N 0 0 242.147 2.327 10 0 BEAERN CNc1ccc([C@H]2CCCN(C(N)=O)CC2)cc1 ZINC000616600463 350780244 /nfs/dbraw/zinc/78/02/44/350780244.db2.gz JTSUIPATWINAGT-NSHDSACASA-N 0 0 247.342 2.377 10 0 BEAERN Cc1ccc(-c2nc(N)n[nH]2)cc1Cl ZINC000063021625 350782634 /nfs/dbraw/zinc/78/26/34/350782634.db2.gz SWHJQMRLNPBERX-UHFFFAOYSA-N 0 0 208.652 2.016 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2ccccc2CO)C1 ZINC000616605248 350794095 /nfs/dbraw/zinc/79/40/95/350794095.db2.gz LNUJYWMEETXYRF-CYBMUJFWSA-N 0 0 247.338 2.295 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@H]1c1conn1 ZINC000616608160 350796562 /nfs/dbraw/zinc/79/65/62/350796562.db2.gz ZBRSMPXXNGOGFJ-VIFPVBQESA-N 0 0 239.275 2.142 10 0 BEAERN CCOC(=O)N1CCC[C@H]1c1cccc(CO)c1 ZINC000616606922 350799559 /nfs/dbraw/zinc/79/95/59/350799559.db2.gz MJEWGOVXBPQSLA-ZDUSSCGKSA-N 0 0 249.310 2.472 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cncc2ccccc21 ZINC000616609469 350802760 /nfs/dbraw/zinc/80/27/60/350802760.db2.gz BSIKODLDCTXHQK-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CC[C@H](c2ccc3ccccc3n2)C1 ZINC000616610823 350807087 /nfs/dbraw/zinc/80/70/87/350807087.db2.gz FVASUJARQXPTFX-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN CCOC(=O)N1CC[C@H](c2cccc(CO)c2)C1 ZINC000616610185 350808345 /nfs/dbraw/zinc/80/83/45/350808345.db2.gz IYILKSPAKOEYLN-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccon2)C1 ZINC000616610292 350808363 /nfs/dbraw/zinc/80/83/63/350808363.db2.gz XERSYLQHXFSEAQ-VIFPVBQESA-N 0 0 238.287 2.399 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616610382 350808543 /nfs/dbraw/zinc/80/85/43/350808543.db2.gz PJAFNHCIUWFIFN-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1C(F)F ZINC000616611429 350809458 /nfs/dbraw/zinc/80/94/58/350809458.db2.gz CDRGUHHWCUEVJV-SSDOTTSWSA-N 0 0 207.220 2.263 10 0 BEAERN NC(=O)N1CC[C@H](c2cccc3cnccc32)C1 ZINC000616611113 350810101 /nfs/dbraw/zinc/81/01/01/350810101.db2.gz MXCIPJUNNBDUKC-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN O[C@H](Cc1cscn1)c1ccccc1 ZINC000051966514 350830290 /nfs/dbraw/zinc/83/02/90/350830290.db2.gz GMVBATXJRNZBOD-LLVKDONJSA-N 0 0 205.282 2.419 10 0 BEAERN CCc1ccc([C@H](O)c2ccsn2)o1 ZINC000306678033 350833494 /nfs/dbraw/zinc/83/34/94/350833494.db2.gz HKWZZSFDTQRKPM-SNVBAGLBSA-N 0 0 209.270 2.380 10 0 BEAERN CC1(C)OCc2sc(NC3CC3)nc21 ZINC000306682644 350838945 /nfs/dbraw/zinc/83/89/45/350838945.db2.gz RZFNEEYKAUNZJV-UHFFFAOYSA-N 0 0 210.302 2.483 10 0 BEAERN Cc1nsc(N[C@H]2CCCCC[C@H]2CO)n1 ZINC000301804006 180522942 /nfs/dbraw/zinc/52/29/42/180522942.db2.gz XOAKWYQTZFCKLV-UWVGGRQHSA-N 0 0 241.360 2.200 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cnoc1 ZINC000616615139 350845626 /nfs/dbraw/zinc/84/56/26/350845626.db2.gz DNVPMZPAPYNBCH-JTQLQIEISA-N 0 0 224.260 2.358 10 0 BEAERN O=S(=O)(c1ccccc1)N1CCCC[C@H]1F ZINC000616616051 350853315 /nfs/dbraw/zinc/85/33/15/350853315.db2.gz NDDFSFVOPWBVAY-NSHDSACASA-N 0 0 243.303 2.157 10 0 BEAERN CC1(C)NC(=O)C[C@H]1[C@@]1(C)CCCS1 ZINC000306708508 350856980 /nfs/dbraw/zinc/85/69/80/350856980.db2.gz OFJJXYSZSUYLTC-LDYMZIIASA-N 0 0 213.346 2.187 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cnoc2)C1 ZINC000616617316 350864044 /nfs/dbraw/zinc/86/40/44/350864044.db2.gz OAJAEMJLLJLSAJ-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000616617377 350866644 /nfs/dbraw/zinc/86/66/44/350866644.db2.gz UTYOHTGZURWPGS-GFCCVEGCSA-N 0 0 234.299 2.418 10 0 BEAERN CS[C@@H]1CC[C@@H]1Nc1nc(C)ns1 ZINC000306676711 350829004 /nfs/dbraw/zinc/82/90/04/350829004.db2.gz WWTUNJGLAVENJV-NKWVEPMBSA-N 0 0 215.347 2.152 10 0 BEAERN CC(C)[C@](C)(Nc1nc(Cl)cs1)C(N)=O ZINC000306732107 350902462 /nfs/dbraw/zinc/90/24/62/350902462.db2.gz GWTGJJNQMUYAIO-VIFPVBQESA-N 0 0 247.751 2.108 10 0 BEAERN COC1(c2nc(N)c(C)s2)CCCC1 ZINC000128961264 350920495 /nfs/dbraw/zinc/92/04/95/350920495.db2.gz OYBFIPFPOGSILC-UHFFFAOYSA-N 0 0 212.318 2.449 10 0 BEAERN CCOC(=O)N1CCC(c2cnco2)CC1 ZINC000616619694 350928413 /nfs/dbraw/zinc/92/84/13/350928413.db2.gz WMXXEDLYUHONNQ-UHFFFAOYSA-N 0 0 224.260 2.011 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ccncn1 ZINC000616619818 350928570 /nfs/dbraw/zinc/92/85/70/350928570.db2.gz AWWKMPNZMVIMHQ-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN CNc1ccccc1[C@@H]1CCCN(C(C)=O)C1 ZINC000616620099 350930906 /nfs/dbraw/zinc/93/09/06/350930906.db2.gz NYMVCLQCIJDBNO-GFCCVEGCSA-N 0 0 232.327 2.454 10 0 BEAERN CCOC(=O)N1CCC[C@@H](C(F)F)C1 ZINC000616618008 350881567 /nfs/dbraw/zinc/88/15/67/350881567.db2.gz HBZLXHHBLAHZIH-SSDOTTSWSA-N 0 0 207.220 2.120 10 0 BEAERN C[C@H]1SCC[C@H]1Nc1ccnc(Cl)n1 ZINC000306721690 350888772 /nfs/dbraw/zinc/88/87/72/350888772.db2.gz FCKWUZITQSBCBV-RNFRBKRXSA-N 0 0 229.736 2.436 10 0 BEAERN Cc1cnccc1-c1nc(Br)no1 ZINC000306721701 350888792 /nfs/dbraw/zinc/88/87/92/350888792.db2.gz FDLGLBDVJXEUKS-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN COc1ccncc1C(=O)[C@H]1CCSC1 ZINC000306722648 350889905 /nfs/dbraw/zinc/88/99/05/350889905.db2.gz FYCRQDJNLRUSAM-QMMMGPOBSA-N 0 0 223.297 2.026 10 0 BEAERN C[C@@H](O)c1ccn(Cc2cncs2)c1 ZINC000159654368 350957911 /nfs/dbraw/zinc/95/79/11/350957911.db2.gz IBNPXAXQKHRTDL-MRVPVSSYSA-N 0 0 208.286 2.046 10 0 BEAERN COCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000128996487 350962779 /nfs/dbraw/zinc/96/27/79/350962779.db2.gz VAZJYRYUFKDTHI-LBPRGKRZSA-N 0 0 235.327 2.031 10 0 BEAERN C[C@@](O)(Cc1cncs1)c1ccoc1 ZINC000159679438 350963326 /nfs/dbraw/zinc/96/33/26/350963326.db2.gz YMSKIYXENKJFPW-SNVBAGLBSA-N 0 0 209.270 2.186 10 0 BEAERN C[C@H]([C@H]1CCCCO1)n1cc[nH]c1=S ZINC000306771555 351007783 /nfs/dbraw/zinc/00/77/83/351007783.db2.gz CMXPSWQEUWCMAY-RKDXNWHRSA-N 0 0 212.318 2.302 10 0 BEAERN CSC1(c2ncsc2N)CCC1 ZINC000306754923 350967856 /nfs/dbraw/zinc/96/78/56/350967856.db2.gz ODAOTFVNJDMNEA-UHFFFAOYSA-N 0 0 200.332 2.468 10 0 BEAERN C[C@@H]1SCCC[C@]1(O)Cc1cncs1 ZINC000159673940 350971489 /nfs/dbraw/zinc/97/14/89/350971489.db2.gz JCGQHVCOXIICFO-WPRPVWTQSA-N 0 0 229.370 2.332 10 0 BEAERN C[C@H]1SCCC[C@@]1(O)Cc1cncs1 ZINC000159673536 350971599 /nfs/dbraw/zinc/97/15/99/350971599.db2.gz JCGQHVCOXIICFO-PSASIEDQSA-N 0 0 229.370 2.332 10 0 BEAERN C[C@@H]([C@@H]1CCCCO1)n1cc[nH]c1=S ZINC000306771554 351008038 /nfs/dbraw/zinc/00/80/38/351008038.db2.gz CMXPSWQEUWCMAY-IUCAKERBSA-N 0 0 212.318 2.302 10 0 BEAERN C[C@@H]1CCCC[C@]1(O)c1cnc(N)s1 ZINC000159793520 350997681 /nfs/dbraw/zinc/99/76/81/350997681.db2.gz AAWCPEOQDSSRSW-GMSGAONNSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@@H]1CS[C@H](c2cc(O)cc(F)c2)N1 ZINC000159776363 350999671 /nfs/dbraw/zinc/99/96/71/350999671.db2.gz XRPFUPPGALWBFA-LHLIQPBNSA-N 0 0 213.277 2.255 10 0 BEAERN COCCN(CC(C)C)C(=O)CCCSC ZINC000129168371 351002675 /nfs/dbraw/zinc/00/26/75/351002675.db2.gz LHIXVODWPDZPKU-UHFFFAOYSA-N 0 0 247.404 2.261 10 0 BEAERN CNc1ccccc1[C@H]1CCCN(C(C)=O)C1 ZINC000616620907 350945990 /nfs/dbraw/zinc/94/59/90/350945990.db2.gz NYMVCLQCIJDBNO-LBPRGKRZSA-N 0 0 232.327 2.454 10 0 BEAERN Cc1nc(Cc2cnc(N)s2)cs1 ZINC000159880772 351016744 /nfs/dbraw/zinc/01/67/44/351016744.db2.gz CWLVUVGTMDGPKA-UHFFFAOYSA-N 0 0 211.315 2.081 10 0 BEAERN CNc1nc(Cl)nc2cc(F)ccc21 ZINC000129293412 351032556 /nfs/dbraw/zinc/03/25/56/351032556.db2.gz FXUFEDBKODNXDV-UHFFFAOYSA-N 0 0 211.627 2.464 10 0 BEAERN CO[C@H]1CCN(c2cc(Cl)nc(Cl)n2)C1 ZINC000306796322 351047372 /nfs/dbraw/zinc/04/73/72/351047372.db2.gz HPHLTQYXYCXIBK-LURJTMIESA-N 0 0 248.113 2.009 10 0 BEAERN CCC[S@](=O)Nc1cc(Cl)ccc1N ZINC000306795989 351048295 /nfs/dbraw/zinc/04/82/95/351048295.db2.gz HFOPLFPLEYVOMD-AWEZNQCLSA-N 0 0 232.736 2.408 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(Cl)nc(N)n1 ZINC000231662217 351052385 /nfs/dbraw/zinc/05/23/85/351052385.db2.gz UZUJXAPCJHLXJM-RQJHMYQMSA-N 0 0 226.711 2.313 10 0 BEAERN CC[S@@](=O)Nc1ccc(Cl)cc1N ZINC000306803624 351057453 /nfs/dbraw/zinc/05/74/53/351057453.db2.gz WBSUTSNHRCDUFX-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN CC1(Cc2nc(Br)no2)CC1 ZINC000306803598 351058062 /nfs/dbraw/zinc/05/80/62/351058062.db2.gz WAFWKBPELZTUER-UHFFFAOYSA-N 0 0 217.066 2.175 10 0 BEAERN COC(=O)C(C)(C)c1[nH]c(=S)sc1C ZINC000306809908 351064096 /nfs/dbraw/zinc/06/40/96/351064096.db2.gz SQWVEOLYERRXOL-UHFFFAOYSA-N 0 0 231.342 2.191 10 0 BEAERN Cc1cc(N)cc(N2CCSCC2)c1 ZINC000159849322 351013234 /nfs/dbraw/zinc/01/32/34/351013234.db2.gz ZBMJYVSFEDJJQZ-UHFFFAOYSA-N 0 0 208.330 2.130 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cocn2)CC1 ZINC000616629490 351100867 /nfs/dbraw/zinc/10/08/67/351100867.db2.gz XFSVWGOTIORONW-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccon2)CC1 ZINC000616626913 351107170 /nfs/dbraw/zinc/10/71/70/351107170.db2.gz FAMIPGOAOSGWHV-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN Cc1cccc(O)c1N[S@@](=O)C(C)C ZINC000306810851 351078732 /nfs/dbraw/zinc/07/87/32/351078732.db2.gz VJWZYJUCKCBPAW-AWEZNQCLSA-N 0 0 213.302 2.185 10 0 BEAERN Cc1c(Br)cccc1N[S@](C)=O ZINC000306811022 351078879 /nfs/dbraw/zinc/07/88/79/351078879.db2.gz VVFAVXPBYDUVPP-LBPRGKRZSA-N 0 0 248.145 2.463 10 0 BEAERN C[C@H]1CC[C@]1([NH2+]C1CCCCC1)C(=O)[O-] ZINC000306811499 351079433 /nfs/dbraw/zinc/07/94/33/351079433.db2.gz XBBFJZYJCCKWBS-JOYOIKCWSA-N 0 0 211.305 2.162 10 0 BEAERN CC(C)[N@@H+]1CCCCC[C@H]1c1cnn[n-]1 ZINC000616621916 351084713 /nfs/dbraw/zinc/08/47/13/351084713.db2.gz RDAVEEWXTOVWLC-NSHDSACASA-N 0 0 208.309 2.130 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cccc(N)n1 ZINC000616622719 351084932 /nfs/dbraw/zinc/08/49/32/351084932.db2.gz ORJWSEYGPMUBFI-LLVKDONJSA-N 0 0 249.314 2.347 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ncc[nH]1 ZINC000616623653 351089083 /nfs/dbraw/zinc/08/90/83/351089083.db2.gz OKKJEYOOLNRERY-VIFPVBQESA-N 0 0 223.276 2.093 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1ccccc1CO ZINC000616623919 351090239 /nfs/dbraw/zinc/09/02/39/351090239.db2.gz OCPJREAVCMBGAL-ZDUSSCGKSA-N 0 0 248.326 2.175 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616627338 351094658 /nfs/dbraw/zinc/09/46/58/351094658.db2.gz JDFGLZRCMKETPA-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN COc1ccc([C@@H]2CCCN(C(N)=O)CC2)cc1 ZINC000616627988 351096582 /nfs/dbraw/zinc/09/65/82/351096582.db2.gz MKHMUXXIWSLQKL-LLVKDONJSA-N 0 0 248.326 2.343 10 0 BEAERN CCOC(=O)N1CCCC[C@H](n2cccn2)C1 ZINC000616628143 351097599 /nfs/dbraw/zinc/09/75/99/351097599.db2.gz KIFHICDJSHQAPB-NSHDSACASA-N 0 0 237.303 2.067 10 0 BEAERN COC(=O)N1CCCC[C@H](C(F)F)C1 ZINC000616629210 351100357 /nfs/dbraw/zinc/10/03/57/351100357.db2.gz QMAMOHYRDVDSMP-ZETCQYMHSA-N 0 0 207.220 2.120 10 0 BEAERN Cc1cccc(CO)c1I ZINC000034725901 351145575 /nfs/dbraw/zinc/14/55/75/351145575.db2.gz NVDGNIBWPJTMDL-UHFFFAOYSA-N 0 0 248.063 2.092 10 0 BEAERN Nc1cccc(NCc2nccs2)c1 ZINC000034726339 351146230 /nfs/dbraw/zinc/14/62/30/351146230.db2.gz CNUQCMXMZPWKDF-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN CNc1nc(Cl)nc2ccc(OC)cc21 ZINC000129344062 351150376 /nfs/dbraw/zinc/15/03/76/351150376.db2.gz LRAULHRATFFIFL-UHFFFAOYSA-N 0 0 223.663 2.334 10 0 BEAERN CCc1nc(Br)cc(N2CCC2)n1 ZINC000306840512 351150658 /nfs/dbraw/zinc/15/06/58/351150658.db2.gz BIVKNBYPSLXZKX-UHFFFAOYSA-N 0 0 242.120 2.012 10 0 BEAERN CN1CCOC[C@H]1c1cccc2ncccc21 ZINC000616642095 351150990 /nfs/dbraw/zinc/15/09/90/351150990.db2.gz VCVBZDOXXKECRJ-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616641732 351151320 /nfs/dbraw/zinc/15/13/20/351151320.db2.gz NOKGROJQGLUIED-NSHDSACASA-N 0 0 211.692 2.343 10 0 BEAERN c1nocc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000616642995 351154399 /nfs/dbraw/zinc/15/43/99/351154399.db2.gz PZVOLSBPXBNMTB-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN c1cc([C@@H]2CN(Cc3ccccc3)CCO2)on1 ZINC000616643137 351155125 /nfs/dbraw/zinc/15/51/25/351155125.db2.gz WGPNPWUJPNSHDC-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN CN1CCO[C@H](c2ccc3cccnc3c2)C1 ZINC000616643231 351155818 /nfs/dbraw/zinc/15/58/18/351155818.db2.gz GPRVQOGEFFOPRL-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CC(=O)N1CCCO[C@@H](c2ccc(F)cc2)C1 ZINC000616655220 351192651 /nfs/dbraw/zinc/19/26/51/351192651.db2.gz WPGFSKFRVXMPSM-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CNc1ccc([C@H]2CN(C(C)=O)CCCO2)cc1 ZINC000616655110 351192788 /nfs/dbraw/zinc/19/27/88/351192788.db2.gz SSJGHXLSKWBQCB-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CC(C)(C)N1CCOCC[C@@H]1C(F)F ZINC000616655304 351192806 /nfs/dbraw/zinc/19/28/06/351192806.db2.gz BOUPXYRDSSJKQL-MRVPVSSYSA-N 0 0 207.264 2.141 10 0 BEAERN CNc1cccc([C@@H]2COCCCN2C(C)=O)c1 ZINC000616647235 351165129 /nfs/dbraw/zinc/16/51/29/351165129.db2.gz CMWYMXDYJVFBTP-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CCN1CCO[C@H](c2cccc3ccnnc32)C1 ZINC000616645283 351167957 /nfs/dbraw/zinc/16/79/57/351167957.db2.gz AXYGHRYHHMBNOK-ZDUSSCGKSA-N 0 0 243.310 2.023 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1c1ccon1 ZINC000616646579 351171598 /nfs/dbraw/zinc/17/15/98/351171598.db2.gz YNIUXCYBWLBCCG-NSHDSACASA-N 0 0 224.304 2.237 10 0 BEAERN CC(C)[N@@H+]1CCCO[C@H](c2ccccc2N)C1 ZINC000616648718 351176406 /nfs/dbraw/zinc/17/64/06/351176406.db2.gz AFKAOJYIZOWFPC-AWEZNQCLSA-N 0 0 234.343 2.441 10 0 BEAERN CC[N@@H+]1CCCO[C@H](c2ccccc2OC)C1 ZINC000616648716 351176495 /nfs/dbraw/zinc/17/64/95/351176495.db2.gz AERUUCTXINANDP-AWEZNQCLSA-N 0 0 235.327 2.479 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2ncco2)C1 ZINC000616650361 351177916 /nfs/dbraw/zinc/17/79/16/351177916.db2.gz AFVXKEUJXFZQTL-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN O[C@H](Cc1cncs1)[C@H]1CCCSC1 ZINC000306820937 351127369 /nfs/dbraw/zinc/12/73/69/351127369.db2.gz JREJORLEYSTVIW-WCBMZHEXSA-N 0 0 229.370 2.190 10 0 BEAERN Cn1nc(Cl)c(=O)cc1NCc1ccccc1 ZINC000306821817 351129395 /nfs/dbraw/zinc/12/93/95/351129395.db2.gz LCMRKVCLCYCTMX-UHFFFAOYSA-N 0 0 249.701 2.046 10 0 BEAERN Cc1ccnc(-n2ccc(Br)n2)c1 ZINC000306823178 351130761 /nfs/dbraw/zinc/13/07/61/351130761.db2.gz PCMGYKLRUSGZPG-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Clc1cc(-c2cncnc2)nc(C2CC2)n1 ZINC000044119350 180574502 /nfs/dbraw/zinc/57/45/02/180574502.db2.gz RTFOFUBPHARDQO-UHFFFAOYSA-N 0 0 232.674 2.464 10 0 BEAERN CCN1CCOC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616637859 351136046 /nfs/dbraw/zinc/13/60/46/351136046.db2.gz QVDOKBUSLZKEAF-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1c1ccno1 ZINC000616669204 351228953 /nfs/dbraw/zinc/22/89/53/351228953.db2.gz MTEUFSRZERAVJI-CYBMUJFWSA-N 0 0 244.294 2.161 10 0 BEAERN CCN1c2ccccc2CC[C@H]1c1cn[nH]n1 ZINC000616669416 351229034 /nfs/dbraw/zinc/22/90/34/351229034.db2.gz ICZBGKMYRMWYRQ-ZDUSSCGKSA-N 0 0 228.299 2.319 10 0 BEAERN COC(=O)N1C[C@H](C(C)=O)Cc2ccccc21 ZINC000616669625 351229513 /nfs/dbraw/zinc/22/95/13/351229513.db2.gz JDPHCZNRNWBPLR-LLVKDONJSA-N 0 0 233.267 2.021 10 0 BEAERN c1coc([C@H]2CNc3ccccc3C2)n1 ZINC000616669792 351229647 /nfs/dbraw/zinc/22/96/47/351229647.db2.gz KRJOVMBYBBQNFT-SNVBAGLBSA-N 0 0 200.241 2.426 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@@H]1c1c[nH]cn1 ZINC000616668238 351230133 /nfs/dbraw/zinc/23/01/33/351230133.db2.gz IKDCXYOLDOIMES-CQSZACIVSA-N 0 0 241.294 2.450 10 0 BEAERN O=C([O-])N1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000616668343 351230438 /nfs/dbraw/zinc/23/04/38/351230438.db2.gz AIVTXXYFFLGABZ-LLVKDONJSA-N 0 0 243.266 2.165 10 0 BEAERN c1nocc1[C@H]1CNc2ccccc2C1 ZINC000616670672 351231307 /nfs/dbraw/zinc/23/13/07/351231307.db2.gz PPBRMTYOXZHYFH-SNVBAGLBSA-N 0 0 200.241 2.426 10 0 BEAERN COC(=O)N1C[C@@H](C(C)=O)Cc2ccccc21 ZINC000616670589 351233275 /nfs/dbraw/zinc/23/32/75/351233275.db2.gz JDPHCZNRNWBPLR-NSHDSACASA-N 0 0 233.267 2.021 10 0 BEAERN COC(=O)N1C[C@@H](F)Cc2ccccc21 ZINC000616671654 351233978 /nfs/dbraw/zinc/23/39/78/351233978.db2.gz PQJGPVIHSVOFBO-VIFPVBQESA-N 0 0 209.220 2.154 10 0 BEAERN CN1C[C@@H](c2ccno2)Cc2ccccc21 ZINC000616671532 351234572 /nfs/dbraw/zinc/23/45/72/351234572.db2.gz FTWPBZQTGZVFMG-NSHDSACASA-N 0 0 214.268 2.451 10 0 BEAERN CC(=O)N1C[C@H](c2c[nH]cn2)Cc2ccccc21 ZINC000616671611 351234584 /nfs/dbraw/zinc/23/45/84/351234584.db2.gz AXWFMHOTEVKLTJ-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1C(F)(F)F ZINC000616671982 351235391 /nfs/dbraw/zinc/23/53/91/351235391.db2.gz YQZZCSRWJHLCEH-VIFPVBQESA-N 0 0 244.216 2.449 10 0 BEAERN c1nnoc1[C@@H]1CCNc2ccccc21 ZINC000616673971 351238120 /nfs/dbraw/zinc/23/81/20/351238120.db2.gz AHHUERZPHIAEIP-SECBINFHSA-N 0 0 201.229 2.017 10 0 BEAERN c1onnc1[C@H]1CCNc2ccccc21 ZINC000616674640 351238655 /nfs/dbraw/zinc/23/86/55/351238655.db2.gz JWXPUGCFNIBCRC-VIFPVBQESA-N 0 0 201.229 2.017 10 0 BEAERN CN1C[C@@H](c2cnoc2)Cc2ccccc21 ZINC000616674267 351238728 /nfs/dbraw/zinc/23/87/28/351238728.db2.gz YCGLUEOPJBIWOM-NSHDSACASA-N 0 0 214.268 2.451 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccon2)c2ccccc21 ZINC000616674639 351238795 /nfs/dbraw/zinc/23/87/95/351238795.db2.gz LCISOYJXIDEASK-SECBINFHSA-N 0 0 243.266 2.095 10 0 BEAERN CC(=O)N1C[C@H](c2ccno2)Cc2ccccc21 ZINC000616672697 351239345 /nfs/dbraw/zinc/23/93/45/351239345.db2.gz IXEAZGHJEALCRJ-GFCCVEGCSA-N 0 0 242.278 2.367 10 0 BEAERN CCN1CC[C@@H](c2c[nH]nc2N)c2ccccc21 ZINC000616672585 351239750 /nfs/dbraw/zinc/23/97/50/351239750.db2.gz MYOYJLFVMVHLQN-SNVBAGLBSA-N 0 0 242.326 2.184 10 0 BEAERN CC(C)N1C[C@H](CCO)Cc2ccccc21 ZINC000616672708 351239818 /nfs/dbraw/zinc/23/98/18/351239818.db2.gz LUKSYFAPEADGPP-GFCCVEGCSA-N 0 0 219.328 2.456 10 0 BEAERN OCCN1CC[C@H](c2ncco2)c2ccccc21 ZINC000616676426 351241066 /nfs/dbraw/zinc/24/10/66/351241066.db2.gz VTQIKVMLIOMYIL-LBPRGKRZSA-N 0 0 244.294 2.009 10 0 BEAERN CC(C)N1C[C@@H](c2cn[nH]n2)Nc2ccccc21 ZINC000616680758 351247487 /nfs/dbraw/zinc/24/74/87/351247487.db2.gz GUJGXNCXCNPSDJ-LBPRGKRZSA-N 0 0 243.314 2.186 10 0 BEAERN CCN1CCc2ccccc2[C@H]1c1cc[nH]n1 ZINC000616678755 351249276 /nfs/dbraw/zinc/24/92/76/351249276.db2.gz GCVPEBILXCHXDM-AWEZNQCLSA-N 0 0 227.311 2.377 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1c1cnco1 ZINC000616681490 351250052 /nfs/dbraw/zinc/25/00/52/351250052.db2.gz YMLAKRLUAHBLOC-AWEZNQCLSA-N 0 0 242.278 2.169 10 0 BEAERN CC(C)N1C[C@H](CCO)Nc2ccccc21 ZINC000616681940 351252141 /nfs/dbraw/zinc/25/21/41/351252141.db2.gz AUBXGWAZOVQFLA-NSHDSACASA-N 0 0 220.316 2.078 10 0 BEAERN CN1C[C@@H](c2cc[nH]n2)Nc2ccccc21 ZINC000616681798 351252204 /nfs/dbraw/zinc/25/22/04/351252204.db2.gz VNXQSKRRJFHVGA-NSHDSACASA-N 0 0 214.272 2.013 10 0 BEAERN CN1C[C@@H](c2ccc(N)nc2)Nc2ccccc21 ZINC000616681693 351252224 /nfs/dbraw/zinc/25/22/24/351252224.db2.gz SYNZYQZYLPJFNF-LBPRGKRZSA-N 0 0 240.310 2.097 10 0 BEAERN CC(C)N1C[C@H](c2conn2)Nc2ccccc21 ZINC000616681951 351252386 /nfs/dbraw/zinc/25/23/86/351252386.db2.gz BFAYGHCOZZKDIB-LLVKDONJSA-N 0 0 244.298 2.451 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cccc(N)n1 ZINC000616682477 351252868 /nfs/dbraw/zinc/25/28/68/351252868.db2.gz IXRCWVZGLDFMDG-CYBMUJFWSA-N 0 0 240.310 2.267 10 0 BEAERN CN1C[C@H](c2ccnc(N)c2)Nc2ccccc21 ZINC000616683048 351253515 /nfs/dbraw/zinc/25/35/15/351253515.db2.gz NVBROGJZDANLEC-GFCCVEGCSA-N 0 0 240.310 2.097 10 0 BEAERN CC(C)(C)[C@@H]1CNc2ccccc2N1CCO ZINC000616685206 351254199 /nfs/dbraw/zinc/25/41/99/351254199.db2.gz RGMHAOBFAJWLBG-ZDUSSCGKSA-N 0 0 234.343 2.326 10 0 BEAERN CN1c2ccccc2NC[C@@H]1OC(F)(F)F ZINC000616683325 351254363 /nfs/dbraw/zinc/25/43/63/351254363.db2.gz FIRGYCVSLNMQKV-VIFPVBQESA-N 0 0 232.205 2.411 10 0 BEAERN CO[C@@H]1CNc2ccccc2N1C(C)C ZINC000616685284 351254411 /nfs/dbraw/zinc/25/44/11/351254411.db2.gz SOINWLZFPFFUCT-GFCCVEGCSA-N 0 0 206.289 2.299 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cccnc1N ZINC000616684606 351255235 /nfs/dbraw/zinc/25/52/35/351255235.db2.gz VQUSEWMCUPSAPB-ZDUSSCGKSA-N 0 0 240.310 2.267 10 0 BEAERN CC(C)(C)[C@@H]1CNc2ccccc2N1C(N)=O ZINC000616684813 351255875 /nfs/dbraw/zinc/25/58/75/351255875.db2.gz OUHZDGGMUPIWHC-NSHDSACASA-N 0 0 233.315 2.412 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1ncc[nH]1 ZINC000616686793 351256864 /nfs/dbraw/zinc/25/68/64/351256864.db2.gz UJDSNPVQYORNOS-LBPRGKRZSA-N 0 0 228.299 2.403 10 0 BEAERN CC(=O)N1C[C@@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616691163 351259141 /nfs/dbraw/zinc/25/91/41/351259141.db2.gz VUJHCBQTILHNLU-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN CC(=O)N1C[C@@H](c2cnco2)Cc2ccccc21 ZINC000616691162 351259492 /nfs/dbraw/zinc/25/94/92/351259492.db2.gz VRLBRRDHXDEANF-LBPRGKRZSA-N 0 0 242.278 2.367 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2cnco2)C1 ZINC000616654256 351195807 /nfs/dbraw/zinc/19/58/07/351195807.db2.gz RAWFTRVDJKGPHW-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN CNc1ccc([C@@H]2CCOCCN2C(C)=O)cc1 ZINC000616657264 351198082 /nfs/dbraw/zinc/19/80/82/351198082.db2.gz UJBYARGVAWFGLZ-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN C[N@@H+]1CCOC[C@H](c2cccc3cccnc32)C1 ZINC000616657181 351198268 /nfs/dbraw/zinc/19/82/68/351198268.db2.gz BHUQTZOCYGFLFE-CYBMUJFWSA-N 0 0 242.322 2.280 10 0 BEAERN CC(C)(C)N1CCOCC[C@@H]1c1ncccn1 ZINC000616656239 351202416 /nfs/dbraw/zinc/20/24/16/351202416.db2.gz QXGNXCJMUDLETR-LLVKDONJSA-N 0 0 235.331 2.039 10 0 BEAERN CCOC(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC000616663988 351216997 /nfs/dbraw/zinc/21/69/97/351216997.db2.gz YWJHXVYOGLLFST-SNVBAGLBSA-N 0 0 229.320 2.280 10 0 BEAERN Clc1ccc(NC[C@@H]2CCCO2)cn1 ZINC000040564231 180582452 /nfs/dbraw/zinc/58/24/52/180582452.db2.gz HPAMCPMHJCVXOE-VIFPVBQESA-N 0 0 212.680 2.326 10 0 BEAERN Nc1ncccc1[C@@H]1CNc2ccccc2C1 ZINC000616667957 351224926 /nfs/dbraw/zinc/22/49/26/351224926.db2.gz GGRXGDGHCLJRCF-NSHDSACASA-N 0 0 225.295 2.416 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@@H]1c1cc[nH]n1 ZINC000616668087 351225760 /nfs/dbraw/zinc/22/57/60/351225760.db2.gz GNNUPHWNEFQTGN-CQSZACIVSA-N 0 0 241.294 2.450 10 0 BEAERN c1ccc2c(c1)C[C@H](c1ccncn1)CN2 ZINC000616668820 351228090 /nfs/dbraw/zinc/22/80/90/351228090.db2.gz HVJQJWGQJGYHIG-NSHDSACASA-N 0 0 211.268 2.228 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]CC12CCCCCCC2 ZINC000068949619 351301959 /nfs/dbraw/zinc/30/19/59/351301959.db2.gz WHRKVMWYLRDSHA-JTQLQIEISA-N 0 0 211.305 2.021 10 0 BEAERN O[C@H](c1occc1Br)[C@H]1CCOC1 ZINC000068981410 351312091 /nfs/dbraw/zinc/31/20/91/351312091.db2.gz XNHJRJFMJKHDPK-XPUUQOCRSA-N 0 0 247.088 2.112 10 0 BEAERN OC1(c2occc2Br)CCOCC1 ZINC000068981075 351312374 /nfs/dbraw/zinc/31/23/74/351312374.db2.gz IXMRGFKUTMGIBC-UHFFFAOYSA-N 0 0 247.088 2.040 10 0 BEAERN CC(C)[C@H](NN)c1ccncc1Br ZINC000306876651 351270462 /nfs/dbraw/zinc/27/04/62/351270462.db2.gz HNKZPMHNGPPZRP-VIFPVBQESA-N 0 0 244.136 2.005 10 0 BEAERN O[C@@H](Cn1cccn1)c1sccc1Cl ZINC000306878887 351271781 /nfs/dbraw/zinc/27/17/81/351271781.db2.gz JBSRISMLRFBDEC-QMMMGPOBSA-N 0 0 228.704 2.332 10 0 BEAERN C[C@H](CO)C(=O)c1ccc(Br)cc1 ZINC000137238693 351366434 /nfs/dbraw/zinc/36/64/34/351366434.db2.gz UTMGDHAXCSHOQZ-SSDOTTSWSA-N 0 0 243.100 2.260 10 0 BEAERN Cc1cnn(Cc2ccc(F)c(F)c2)c1N ZINC000034964035 351367383 /nfs/dbraw/zinc/36/73/83/351367383.db2.gz SKIZVGMQTUSVDP-UHFFFAOYSA-N 0 0 223.226 2.100 10 0 BEAERN Cc1csc(C2N=NC(=S)N2C)c1 ZINC000306950563 351374416 /nfs/dbraw/zinc/37/44/16/351374416.db2.gz ZKDFKAJYPRCRGR-UHFFFAOYSA-N 0 0 211.315 2.141 10 0 BEAERN CN(C)CC(=O)c1cc2ccccc2o1 ZINC000034989540 351376637 /nfs/dbraw/zinc/37/66/37/351376637.db2.gz XZJVWOOURCGKJN-UHFFFAOYSA-N 0 0 203.241 2.177 10 0 BEAERN Cc1cc(C)cc([C@H]2C=CS(=O)(=O)C2)c1 ZINC000040173714 351391463 /nfs/dbraw/zinc/39/14/63/351391463.db2.gz PDBIKJBWJWUAPJ-NSHDSACASA-N 0 0 222.309 2.329 10 0 BEAERN Cc1c(Cl)cccc1C1=CCS(=O)(=O)C1 ZINC000040173748 351392386 /nfs/dbraw/zinc/39/23/86/351392386.db2.gz YNNUCEBFVDGRSW-UHFFFAOYSA-N 0 0 242.727 2.460 10 0 BEAERN C[C@@H]1N=C(NCC(F)(F)F)S[C@H]1C ZINC000306974422 351395611 /nfs/dbraw/zinc/39/56/11/351395611.db2.gz MGVRVNXQLKUUKT-WHFBIAKZSA-N 0 0 212.240 2.018 10 0 BEAERN COc1nc2c(ccc(Cl)c2F)[nH]1 ZINC000306975464 351396101 /nfs/dbraw/zinc/39/61/01/351396101.db2.gz YOYXUFHMYKHKEK-UHFFFAOYSA-N 0 0 200.600 2.364 10 0 BEAERN C[C@@H](NC1=N[C@@H](C)[C@@H](C)S1)C(F)F ZINC000306979416 351396911 /nfs/dbraw/zinc/39/69/11/351396911.db2.gz OVBTUTNLTSAUKW-KVQBGUIXSA-N 0 0 208.277 2.109 10 0 BEAERN C[C@@H]1CCN(C2N=NC(=S)S2)[C@@H]1C ZINC000306982071 351399733 /nfs/dbraw/zinc/39/97/33/351399733.db2.gz QYTZCPACSPGUEQ-PHDIDXHHSA-N 0 0 215.347 2.062 10 0 BEAERN CN(C)c1c(N)cc(F)cc1Br ZINC000306927946 351343837 /nfs/dbraw/zinc/34/38/37/351343837.db2.gz WGLTZJFPVUOVBH-UHFFFAOYSA-N 0 0 233.084 2.236 10 0 BEAERN COc1ccc2c(c1)N[C@H](C(C)(C)C)[C@@H](O)C2 ZINC000725268300 538100204 /nfs/dbraw/zinc/10/02/04/538100204.db2.gz LQGKOJFYBKIHQS-STQMWFEESA-N 0 0 235.327 2.439 10 0 BEAERN Nc1cc(CCCc2cccs2)[nH]n1 ZINC000034939704 351355545 /nfs/dbraw/zinc/35/55/45/351355545.db2.gz RJPAUBVIDDAJIX-UHFFFAOYSA-N 0 0 207.302 2.229 10 0 BEAERN C[C@@H]1CCN(c2nsnc2Cl)[C@@H]1C ZINC000307028554 351430860 /nfs/dbraw/zinc/43/08/60/351430860.db2.gz LCVXGGTUYXLSTB-PHDIDXHHSA-N 0 0 217.725 2.426 10 0 BEAERN O[C@H](c1cn[nH]c1)c1ccsc1Cl ZINC000307028424 351436257 /nfs/dbraw/zinc/43/62/57/351436257.db2.gz KSOAGYWRGDCFRU-SSDOTTSWSA-N 0 0 214.677 2.206 10 0 BEAERN O=C(N1CCNc2ccccc21)C(F)(F)F ZINC000307076885 351465943 /nfs/dbraw/zinc/46/59/43/351465943.db2.gz CZHGSBOARJHRJS-UHFFFAOYSA-N 0 0 230.189 2.007 10 0 BEAERN CC(F)(F)Cc1nc(Br)no1 ZINC000307036617 351438319 /nfs/dbraw/zinc/43/83/19/351438319.db2.gz OIULYILPRNLMJW-UHFFFAOYSA-N 0 0 227.008 2.030 10 0 BEAERN Cc1c[nH]c([C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC000307047128 351447431 /nfs/dbraw/zinc/44/74/31/351447431.db2.gz ZRKYSWVEXKRSQX-QMMMGPOBSA-N 0 0 239.319 2.346 10 0 BEAERN Cc1cc([C@@H]2NC[C@H](C)S2)sn1 ZINC000404439020 351450205 /nfs/dbraw/zinc/45/02/05/351450205.db2.gz IRMBHIPFURHQLB-POYBYMJQSA-N 0 0 200.332 2.175 10 0 BEAERN Clc1cccc(Cl)c1N[C@@H]1N=CCN1 ZINC000022002178 180590944 /nfs/dbraw/zinc/59/09/44/180590944.db2.gz RWPSRMKULJIPPG-SECBINFHSA-N 0 0 230.098 2.363 10 0 BEAERN Cc1cc(F)nc(I)c1 ZINC000307058096 351455368 /nfs/dbraw/zinc/45/53/68/351455368.db2.gz FQPKSXLNFIABGB-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN O=Cc1cc(F)c(F)cc1OC(F)F ZINC000307056327 351456202 /nfs/dbraw/zinc/45/62/02/351456202.db2.gz VDYRGHJYZFKQFU-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN C[C@@H]1CCS[C@@H](c2ccns2)N1 ZINC000404456310 351460676 /nfs/dbraw/zinc/46/06/76/351460676.db2.gz WBOWXIFGFZPRSY-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN CC[C@H]1CS[C@H](c2ccns2)N1 ZINC000404451240 351463999 /nfs/dbraw/zinc/46/39/99/351463999.db2.gz RKPBEGULCFBWDH-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C(=O)OC(C)(C)C ZINC000306997828 351412758 /nfs/dbraw/zinc/41/27/58/351412758.db2.gz AAVMWKWMWACVBQ-YTWAJWBKSA-N 0 0 241.331 2.155 10 0 BEAERN CC1(C)CC[C@@H]1[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000306998582 351412795 /nfs/dbraw/zinc/41/27/95/351412795.db2.gz YJTZGUKOWAFCMG-UWVGGRQHSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1scc(C2N=NC(=S)N2)c1C ZINC000307002083 351412888 /nfs/dbraw/zinc/41/28/88/351412888.db2.gz CKYLIZFNGJMOKG-UHFFFAOYSA-N 0 0 211.315 2.439 10 0 BEAERN CC1(C)CC[C@@H]1[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000306998593 351412917 /nfs/dbraw/zinc/41/29/17/351412917.db2.gz YJTZGUKOWAFCMG-ZJUUUORDSA-N 0 0 211.305 2.114 10 0 BEAERN CC[C@@H](O)[C@H](O)c1ccc(C)c(Cl)c1 ZINC000231986546 351494046 /nfs/dbraw/zinc/49/40/46/351494046.db2.gz REYMFEWHCBOKHJ-GHMZBOCLSA-N 0 0 214.692 2.453 10 0 BEAERN OC[C@H]1CCC[C@@H](Nc2nsnc2Cl)C1 ZINC000307145132 351498267 /nfs/dbraw/zinc/49/82/67/351498267.db2.gz IUJHOKWFLAISCD-NKWVEPMBSA-N 0 0 247.751 2.155 10 0 BEAERN Oc1ccc(O)c(-c2ccnc(Cl)n2)c1 ZINC000307147042 351499057 /nfs/dbraw/zinc/49/90/57/351499057.db2.gz HPRVFUALKFCERK-UHFFFAOYSA-N 0 0 222.631 2.208 10 0 BEAERN Nc1ccc(Cl)c(N)c1OC(F)(F)F ZINC000307146853 351499364 /nfs/dbraw/zinc/49/93/64/351499364.db2.gz HIQJTULAYILTJZ-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN CO[C@@H](C)c1nsc(NC2(C)CC2)n1 ZINC000307147475 351500172 /nfs/dbraw/zinc/50/01/72/351500172.db2.gz OZDIPPRTMWKZEX-LURJTMIESA-N 0 0 213.306 2.210 10 0 BEAERN C[C@@]1([C@@H](O)c2cscn2)CCCS1 ZINC000307144060 351502234 /nfs/dbraw/zinc/50/22/34/351502234.db2.gz FSSBUHVDWXGPLJ-IUCAKERBSA-N 0 0 215.343 2.462 10 0 BEAERN O=C1N[C@H](c2cscc2Br)CO1 ZINC000307149350 351504254 /nfs/dbraw/zinc/50/42/54/351504254.db2.gz RLIHDRYMUYBKHL-LURJTMIESA-N 0 0 248.101 2.292 10 0 BEAERN C/C(=C\Cl)Cn1cnc(Cl)cc1=O ZINC000232009931 351505829 /nfs/dbraw/zinc/50/58/29/351505829.db2.gz MCZGHPIYHCHIPE-ZZXKWVIFSA-N 0 0 219.071 2.039 10 0 BEAERN C/C(=C\Cl)Cn1nc(C)c(CO)c1C ZINC000232009164 351506016 /nfs/dbraw/zinc/50/60/16/351506016.db2.gz VSEREJKRXHLWBL-QPJJXVBHSA-N 0 0 214.696 2.135 10 0 BEAERN C[C@H]1CSC[C@@]12[NH2+]CC[C@@H](C)S2 ZINC000307153498 351506614 /nfs/dbraw/zinc/50/66/14/351506614.db2.gz JYUUFYPDMVRQCO-YIZRAAEISA-N 0 0 203.376 2.181 10 0 BEAERN C/C(=C/Cl)Cn1cc(Cl)c(N)n1 ZINC000232003155 351507408 /nfs/dbraw/zinc/50/74/08/351507408.db2.gz XDEFCPZTGZLADC-DJWKRKHSSA-N 0 0 206.076 2.261 10 0 BEAERN C[C@H]1SCC[C@@H]1Nc1nsnc1Cl ZINC000307092296 351473231 /nfs/dbraw/zinc/47/32/31/351473231.db2.gz YZQUBNXEYAHAKV-UHNVWZDZSA-N 0 0 235.765 2.497 10 0 BEAERN C[C@@H]1SCC[C@@H]1Nc1nsnc1Cl ZINC000307092297 351473510 /nfs/dbraw/zinc/47/35/10/351473510.db2.gz YZQUBNXEYAHAKV-WHFBIAKZSA-N 0 0 235.765 2.497 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccc(OC)cc2C[C@H]1O ZINC000725268319 538100390 /nfs/dbraw/zinc/10/03/90/538100390.db2.gz MGHWNBRBOMISSS-FZZIBODNSA-N 0 0 235.327 2.439 10 0 BEAERN Clc1cncnc1N[C@H]1C[C@@H]1C1CC1 ZINC000306980149 180600941 /nfs/dbraw/zinc/60/09/41/180600941.db2.gz FJRXTEXFZKISNR-APPZFPTMSA-N 0 0 209.680 2.340 10 0 BEAERN COc1cc(F)c(N)cc1C(F)(F)F ZINC000307112069 351484363 /nfs/dbraw/zinc/48/43/63/351484363.db2.gz PFBLAFXIDWQUQX-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN O=C(c1cc(F)ncc1F)C(F)(F)Cl ZINC000307112149 351484513 /nfs/dbraw/zinc/48/45/13/351484513.db2.gz OWEIDVOQDWDFAH-UHFFFAOYSA-N 0 0 227.544 2.374 10 0 BEAERN Cc1nc(C(=O)[C@H]2CC[C@@H](C)O2)cs1 ZINC000307119611 351489043 /nfs/dbraw/zinc/48/90/43/351489043.db2.gz SDAZGVLOWMRHFW-HZGVNTEJSA-N 0 0 211.286 2.202 10 0 BEAERN Clc1c2c(nn1[C@H]1CCOC1)CCCC2 ZINC000307162128 351527393 /nfs/dbraw/zinc/52/73/93/351527393.db2.gz LCXHBHTXNVBUIZ-QMMMGPOBSA-N 0 0 226.707 2.377 10 0 BEAERN COC(=O)Oc1ccc(Cl)c(N)c1 ZINC000307169361 351543204 /nfs/dbraw/zinc/54/32/04/351543204.db2.gz XYNBJYCYDFPPNW-UHFFFAOYSA-N 0 0 201.609 2.067 10 0 BEAERN Cc1ncc([C@H]2NC[C@@H](C)CS2)s1 ZINC000307169442 351544254 /nfs/dbraw/zinc/54/42/54/351544254.db2.gz YFWPMICUMAYIDN-MUWHJKNJSA-N 0 0 214.359 2.423 10 0 BEAERN Cc1ccc(N)c(O)c1Br ZINC000307169515 351545923 /nfs/dbraw/zinc/54/59/23/351545923.db2.gz YIZIBHZKMWWJQQ-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN C[C@H](c1ccc(F)cc1)n1cc(N)cn1 ZINC000606301495 351548889 /nfs/dbraw/zinc/54/88/89/351548889.db2.gz YXPPMGABLZFJGY-MRVPVSSYSA-N 0 0 205.236 2.214 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000307178731 351565440 /nfs/dbraw/zinc/56/54/40/351565440.db2.gz JNLWOMSRTBXKQN-CBAPKCEASA-N 0 0 201.697 2.434 10 0 BEAERN CC(C)CONCCOCc1ccccc1 ZINC000307177148 351565506 /nfs/dbraw/zinc/56/55/06/351565506.db2.gz WBMIWGQUIYNTCG-UHFFFAOYSA-N 0 0 223.316 2.380 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@H](CC1CC1)N2 ZINC000725268466 538100642 /nfs/dbraw/zinc/10/06/42/538100642.db2.gz RSEXETWTISIIQT-QWHCGFSZSA-N 0 0 233.311 2.193 10 0 BEAERN Cc1cc(NN)cc(C)c1Br ZINC000232032128 351583165 /nfs/dbraw/zinc/58/31/65/351583165.db2.gz GOZVYVDYJXVQLI-UHFFFAOYSA-N 0 0 215.094 2.352 10 0 BEAERN Clc1ncc(Br)c(N2CCC2)n1 ZINC000307187553 351588119 /nfs/dbraw/zinc/58/81/19/351588119.db2.gz PQCPOQKUURUKKI-UHFFFAOYSA-N 0 0 248.511 2.103 10 0 BEAERN CNc1nc(C(C)(C)SC)ns1 ZINC000307189845 351589994 /nfs/dbraw/zinc/58/99/94/351589994.db2.gz VIVGMTGVGMYQND-UHFFFAOYSA-N 0 0 203.336 2.178 10 0 BEAERN COc1ncc([C@]2(O)CCC[C@H]2C)s1 ZINC000307204190 351606661 /nfs/dbraw/zinc/60/66/61/351606661.db2.gz FOIKPDAQNYIJDZ-XCBNKYQSSA-N 0 0 213.302 2.159 10 0 BEAERN CC(C)(Nc1nncs1)C(F)(F)F ZINC000307205699 351607223 /nfs/dbraw/zinc/60/72/23/351607223.db2.gz HRPZKNHUBIWVNH-UHFFFAOYSA-N 0 0 211.212 2.291 10 0 BEAERN CC(C)Oc1ccc(-c2csc(N)n2)cn1 ZINC000606302153 351554647 /nfs/dbraw/zinc/55/46/47/351554647.db2.gz FBLLSCPALOFCOR-UHFFFAOYSA-N 0 0 235.312 2.405 10 0 BEAERN F[C@H]1C[C@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000606302875 351556782 /nfs/dbraw/zinc/55/67/82/351556782.db2.gz ALGRWOKPJOGDBJ-BQBZGAKWSA-N 0 0 228.185 2.430 10 0 BEAERN CCCCC1CC(c2cc(=O)[nH]c(CO)n2)C1 ZINC000606302597 351557541 /nfs/dbraw/zinc/55/75/41/351557541.db2.gz FSTXFZWSZMCTOW-UHFFFAOYSA-N 0 0 236.315 2.358 10 0 BEAERN COC(=O)[C@@]12CC[C@@H](C[C@H]1F)C2(C)C ZINC000606304111 351561084 /nfs/dbraw/zinc/56/10/84/351561084.db2.gz OWGVINSRZVVBIO-VAOFZXAKSA-N 0 0 200.253 2.324 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](O)[C@@H](C(C)C)N2 ZINC000725268619 538100767 /nfs/dbraw/zinc/10/07/67/538100767.db2.gz WXDBPAITIHONNJ-UONOGXRCSA-N 0 0 235.327 2.439 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@@H](CC1CC1)N2 ZINC000725268464 538100792 /nfs/dbraw/zinc/10/07/92/538100792.db2.gz RSEXETWTISIIQT-CHWSQXEVSA-N 0 0 233.311 2.193 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H]([C@H]1CCCOC1)N2 ZINC000725268391 538100799 /nfs/dbraw/zinc/10/07/99/538100799.db2.gz PJWFVXJDWLCKDI-CQDKDKBSSA-N 0 0 247.338 2.119 10 0 BEAERN COc1ncc(-c2nc(C(C)=O)cs2)s1 ZINC000307261538 351804217 /nfs/dbraw/zinc/80/42/17/351804217.db2.gz PQWKAXKVGIEOLE-UHFFFAOYSA-N 0 0 240.309 2.478 10 0 BEAERN CNc1cccc(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000637928657 351804707 /nfs/dbraw/zinc/80/47/07/351804707.db2.gz CKFISRXHJSYEGT-ZWNOBZJWSA-N 0 0 248.326 2.026 10 0 BEAERN Cc1cc(C)nc(C(=O)c2cscn2)c1 ZINC000307249729 351755924 /nfs/dbraw/zinc/75/59/24/351755924.db2.gz OUOIVPNGRGVQCZ-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN C[C@H]1C[C@H]1c1n[nH]cc1Br ZINC000307251000 351770560 /nfs/dbraw/zinc/77/05/60/351770560.db2.gz NBQUSHGXOIROKT-CRCLSJGQSA-N 0 0 201.067 2.296 10 0 BEAERN CC[C@]1(C)C(=O)N[C@H]1[C@]1(C)CCCS1 ZINC000307252079 351773138 /nfs/dbraw/zinc/77/31/38/351773138.db2.gz RKDQVXFNABYSBU-MIMYLULJSA-N 0 0 213.346 2.187 10 0 BEAERN CC(C)[C@H](C)C(=O)Nc1cnc(Cl)cn1 ZINC000232112437 351813987 /nfs/dbraw/zinc/81/39/87/351813987.db2.gz HIRDGQWBJVMDOY-ZETCQYMHSA-N 0 0 227.695 2.361 10 0 BEAERN Cn1cc(COc2ccc(N)cc2Cl)cn1 ZINC000020351949 180653829 /nfs/dbraw/zinc/65/38/29/180653829.db2.gz XGMZYYBSOWEPOE-UHFFFAOYSA-N 0 0 237.690 2.235 10 0 BEAERN Cn1cc(Sc2c(F)cc(N)cc2F)cn1 ZINC000042405941 180664711 /nfs/dbraw/zinc/66/47/11/180664711.db2.gz UVKPKNKNEBVXER-UHFFFAOYSA-N 0 0 241.266 2.432 10 0 BEAERN CCc1ncc(N)c(C)c1Br ZINC000307320682 352000001 /nfs/dbraw/zinc/00/00/01/352000001.db2.gz PDENNTHMHSTVHT-UHFFFAOYSA-N 0 0 215.094 2.297 10 0 BEAERN O[C@@H](COCc1ccccc1)c1ccns1 ZINC000307338632 352054963 /nfs/dbraw/zinc/05/49/63/352054963.db2.gz HJIUXRPNODVUGQ-NSHDSACASA-N 0 0 235.308 2.393 10 0 BEAERN Nc1ccnc(Br)c1C(F)(F)F ZINC000307337540 352056439 /nfs/dbraw/zinc/05/64/39/352056439.db2.gz PGFCNIKVMHOPGO-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN C[C@H](Nc1ccc(Cl)c(F)c1)C(=O)N(C)C ZINC000042580205 187603461 /nfs/dbraw/zinc/60/34/61/187603461.db2.gz FERSYQAPBWNWNF-ZETCQYMHSA-N 0 0 244.697 2.368 10 0 BEAERN CCCCCCN1C(=O)c2cccc(N)c2C1=O ZINC000020519760 168661800 /nfs/dbraw/zinc/66/18/00/168661800.db2.gz QHNPXPZLWCWRDV-UHFFFAOYSA-N 0 0 246.310 2.445 10 0 BEAERN C=CC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000037900955 187598445 /nfs/dbraw/zinc/59/84/45/187598445.db2.gz AIYTYDOMYYYGDD-VIFPVBQESA-N 0 0 232.283 2.008 10 0 BEAERN O=c1nc2c(ccc3cc[nH]cc23)s1 ZINC000045235802 187607951 /nfs/dbraw/zinc/60/79/51/187607951.db2.gz OESRPZVDCPNWTK-UHFFFAOYSA-N 0 0 202.238 2.138 10 0 BEAERN CC(C)[C@H](C)NC(=O)Nc1ccc(F)nc1 ZINC000124818618 187636307 /nfs/dbraw/zinc/63/63/07/187636307.db2.gz QFBCRSKDUNJSHH-QMMMGPOBSA-N 0 0 225.267 2.387 10 0 BEAERN CCOC(=O)[C@H](CC(=O)CC(C)(C)C)C(C)=O ZINC000536953946 538102245 /nfs/dbraw/zinc/10/22/45/538102245.db2.gz MAEPMGGGLPPEOV-LLVKDONJSA-N 0 0 242.315 2.150 10 0 BEAERN CCNC(=S)N1CCC[C@H](SC)CC1 ZINC000300915234 363119338 /nfs/dbraw/zinc/11/93/38/363119338.db2.gz XXJUFMJEGCFZKR-VIFPVBQESA-N 0 0 232.418 2.098 10 0 BEAERN COc1cc(C=O)cc(F)c1OCC1CC1 ZINC000218588264 363131148 /nfs/dbraw/zinc/13/11/48/363131148.db2.gz OFTVJHDLLONLCD-UHFFFAOYSA-N 0 0 224.231 2.436 10 0 BEAERN Oc1ccc([C@@H](O)c2ccccc2)c(O)c1 ZINC000006116252 187644877 /nfs/dbraw/zinc/64/48/77/187644877.db2.gz LVYZWDOXAIFVRX-ZDUSSCGKSA-N 0 0 216.236 2.180 10 0 BEAERN COC(=O)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037187488 358469246 /nfs/dbraw/zinc/46/92/46/358469246.db2.gz WOYZSLGWZWUUHK-ZIAGYGMSSA-N 0 0 247.338 2.475 10 0 BEAERN COC(=O)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037187489 358469363 /nfs/dbraw/zinc/46/93/63/358469363.db2.gz WOYZSLGWZWUUHK-KGLIPLIRSA-N 0 0 247.338 2.475 10 0 BEAERN COC(=O)CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037187490 358469407 /nfs/dbraw/zinc/46/94/07/358469407.db2.gz WOYZSLGWZWUUHK-UONOGXRCSA-N 0 0 247.338 2.475 10 0 BEAERN CC(C)COc1ccc(C(N)=S)cc1 ZINC000019478402 187657826 /nfs/dbraw/zinc/65/78/26/187657826.db2.gz YLJHZNIQWZJRSF-UHFFFAOYSA-N 0 0 209.314 2.356 10 0 BEAERN Cc1ccc(Cl)cc1NC(=O)CC(N)=S ZINC000020433247 187661789 /nfs/dbraw/zinc/66/17/89/187661789.db2.gz MPRPXMWAZQMGGV-UHFFFAOYSA-N 0 0 242.731 2.263 10 0 BEAERN CC(=O)c1ncc(OCc2ccccc2)cn1 ZINC000307360446 352352993 /nfs/dbraw/zinc/35/29/93/352352993.db2.gz GANGRKXTUQWMPK-UHFFFAOYSA-N 0 0 228.251 2.258 10 0 BEAERN CC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032013248 187667252 /nfs/dbraw/zinc/66/72/52/187667252.db2.gz WBFXVLLRPPKDPE-WDEREUQCSA-N 0 0 218.252 2.150 10 0 BEAERN CC(F)(F)C(=O)Nc1ccc(C=O)cc1 ZINC000307380497 352481801 /nfs/dbraw/zinc/48/18/01/352481801.db2.gz FOKZLANZADVMES-UHFFFAOYSA-N 0 0 213.183 2.093 10 0 BEAERN CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000725271963 538103614 /nfs/dbraw/zinc/10/36/14/538103614.db2.gz WSUZLLBJWWFDJQ-PRJMDXOYSA-N 0 0 239.237 2.028 10 0 BEAERN O=Cc1cc(F)ccc1C1=CCCOC1 ZINC000725272336 538104292 /nfs/dbraw/zinc/10/42/92/538104292.db2.gz BQVMXRZQBBYYAO-UHFFFAOYSA-N 0 0 206.216 2.442 10 0 BEAERN O=C([O-])C1(C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000725272782 538104325 /nfs/dbraw/zinc/10/43/25/538104325.db2.gz VFNNSKUIJBYFQH-UHFFFAOYSA-N 0 0 223.316 2.021 10 0 BEAERN COc1ccc([C@@]2(O)CSC[C@H]2C)s1 ZINC000307383267 352508919 /nfs/dbraw/zinc/50/89/19/352508919.db2.gz CKNPQTNTKOWVSV-GMSGAONNSA-N 0 0 230.354 2.327 10 0 BEAERN CC1(C)SC[C@H]1Nc1ncc(N)s1 ZINC000307384760 352511780 /nfs/dbraw/zinc/51/17/80/352511780.db2.gz JZEGZGRBLHPPMB-RXMQYKEDSA-N 0 0 215.347 2.031 10 0 BEAERN Cn1ccnc1Oc1ccc(N)cc1Cl ZINC000050606716 180752958 /nfs/dbraw/zinc/75/29/58/180752958.db2.gz RAGZAMRFUUDBDB-UHFFFAOYSA-N 0 0 223.663 2.448 10 0 BEAERN Cc1cc(Br)ccc1[C@H]1CC(=O)N1 ZINC000307431519 352594650 /nfs/dbraw/zinc/59/46/50/352594650.db2.gz LNZAQDGZSLFZPA-SECBINFHSA-N 0 0 240.100 2.319 10 0 BEAERN Clc1nsnc1-c1ccns1 ZINC000307431299 352594733 /nfs/dbraw/zinc/59/47/33/352594733.db2.gz XJIXUUHTLRBVEY-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN O=Cc1cc(=O)[nH]c(C2CCCCC2)n1 ZINC000307436484 352596156 /nfs/dbraw/zinc/59/61/56/352596156.db2.gz TYTHVMMGXJNKMI-UHFFFAOYSA-N 0 0 206.245 2.042 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@]2(CCCC2=O)C1 ZINC000307441456 352597128 /nfs/dbraw/zinc/59/71/28/352597128.db2.gz AFSMSLGKOLTQGI-ZDUSSCGKSA-N 0 0 239.315 2.367 10 0 BEAERN CC[C@H]1CC(=O)CN1Cc1ccccc1 ZINC000725273135 538104441 /nfs/dbraw/zinc/10/44/41/538104441.db2.gz VIXMWVQPLDPFAR-LBPRGKRZSA-N 0 0 203.285 2.240 10 0 BEAERN C[C@H](Nc1cnns1)c1ccccn1 ZINC000232292030 352606336 /nfs/dbraw/zinc/60/63/36/352606336.db2.gz IYGUGLDJIKHLAB-ZETCQYMHSA-N 0 0 206.274 2.106 10 0 BEAERN CC1(C)CSC[C@](O)(c2ccc[nH]2)C1 ZINC000307453039 352608340 /nfs/dbraw/zinc/60/83/40/352608340.db2.gz YSLRTOMFQILWDN-NSHDSACASA-N 0 0 211.330 2.365 10 0 BEAERN CN(C(N)=O)c1ccc(Br)cc1F ZINC000307460433 352609782 /nfs/dbraw/zinc/60/97/82/352609782.db2.gz DYMPBDABIZPPQS-UHFFFAOYSA-N 0 0 247.067 2.103 10 0 BEAERN C[C@@H]1C[C@@H]1CN(C)C(=O)NCc1ccccc1 ZINC000232303353 352610528 /nfs/dbraw/zinc/61/05/28/352610528.db2.gz KFKASGIIPWWIRI-DGCLKSJQSA-N 0 0 232.327 2.484 10 0 BEAERN CSC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000300589449 352568479 /nfs/dbraw/zinc/56/84/79/352568479.db2.gz MKGKFQDCJLNEDM-JGPRNRPPSA-N 0 0 239.384 2.434 10 0 BEAERN COC(C)(C)[C@@](C)(O)C(F)(F)Br ZINC000300763129 352573901 /nfs/dbraw/zinc/57/39/01/352573901.db2.gz NKGVHLUPZABLPL-ZCFIWIBFSA-N 0 0 247.079 2.150 10 0 BEAERN CC(C)CN1CCc2sccc2C1=O ZINC000307401050 352578193 /nfs/dbraw/zinc/57/81/93/352578193.db2.gz BOLIYNPTPCJYDQ-UHFFFAOYSA-N 0 0 209.314 2.402 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000307401474 352578215 /nfs/dbraw/zinc/57/82/15/352578215.db2.gz AVCKGECOMRRMST-LURJTMIESA-N 0 0 209.623 2.043 10 0 BEAERN CON(CC(C)C)C(=O)OC(C)(C)C ZINC000307402622 352579197 /nfs/dbraw/zinc/57/91/97/352579197.db2.gz ATLQMKOEFQGPAG-UHFFFAOYSA-N 0 0 203.282 2.441 10 0 BEAERN C[C@@]1(c2nnc(Br)s2)C[C@@H]1F ZINC000307404495 352579693 /nfs/dbraw/zinc/57/96/93/352579693.db2.gz CPPRJMCRNJRWPQ-BBIVZNJYSA-N 0 0 237.097 2.300 10 0 BEAERN Fc1cc(NC[C@@H]2CCC=CO2)ccn1 ZINC000307404986 352580492 /nfs/dbraw/zinc/58/04/92/352580492.db2.gz CPKKDSKIVQKDPI-JTQLQIEISA-N 0 0 208.236 2.325 10 0 BEAERN Cc1ccc(C(=O)c2cc(C)n(C)n2)s1 ZINC000300984844 352582210 /nfs/dbraw/zinc/58/22/10/352582210.db2.gz ZDIJDQTXCHRRPF-UHFFFAOYSA-N 0 0 220.297 2.329 10 0 BEAERN Nc1c(Br)cccc1N1CC=CC1 ZINC000307535064 352640219 /nfs/dbraw/zinc/64/02/19/352640219.db2.gz BKADTRQLOCTZHO-UHFFFAOYSA-N 0 0 239.116 2.408 10 0 BEAERN Cc1nc(Cl)c(F)c(N2CCCC2)n1 ZINC000725273316 538104745 /nfs/dbraw/zinc/10/47/45/538104745.db2.gz UOXLFQVMFMACQJ-UHFFFAOYSA-N 0 0 215.659 2.178 10 0 BEAERN C[C@H](c1cccs1)N(C)C1=NC(=O)CS1 ZINC000307542696 352646037 /nfs/dbraw/zinc/64/60/37/352646037.db2.gz ZQVPZQNCZJUUBB-SSDOTTSWSA-N 0 0 240.353 2.370 10 0 BEAERN Cc1cc(C(=O)NCCC2CCCC2)no1 ZINC000044705432 352655372 /nfs/dbraw/zinc/65/53/72/352655372.db2.gz HYLZPGLIZPDHKQ-UHFFFAOYSA-N 0 0 222.288 2.293 10 0 BEAERN CCC[C@](C)([NH3+])C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044678666 352655651 /nfs/dbraw/zinc/65/56/51/352655651.db2.gz YNUUZLDGVFCTFC-IPYPFGDCSA-N 0 0 246.354 2.176 10 0 BEAERN Cc1ccc(NC(=O)Cn2ccnc2)c(C)c1 ZINC000029594121 352672048 /nfs/dbraw/zinc/67/20/48/352672048.db2.gz NSCAYGGOIRVHNF-UHFFFAOYSA-N 0 0 229.283 2.139 10 0 BEAERN C[C@@H](COCc1ccccc1)[NH2+]Cc1cn[nH]c1 ZINC000608067105 352662859 /nfs/dbraw/zinc/66/28/59/352662859.db2.gz VTACXHKOTKNVPH-LBPRGKRZSA-N 0 0 245.326 2.105 10 0 BEAERN Brc1cc(CN2CC=CCC2)on1 ZINC000307590082 352663970 /nfs/dbraw/zinc/66/39/70/352663970.db2.gz BLEHUOYILMJJSP-UHFFFAOYSA-N 0 0 243.104 2.199 10 0 BEAERN CC1CCC([NH2+][C@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000232436110 352665950 /nfs/dbraw/zinc/66/59/50/352665950.db2.gz RHOOYTCAXMSPEI-TVUZUIDESA-N 0 0 211.305 2.018 10 0 BEAERN CC1CCC([NH2+][C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000232436113 352665964 /nfs/dbraw/zinc/66/59/64/352665964.db2.gz RHOOYTCAXMSPEI-LXKPXOPUSA-N 0 0 211.305 2.018 10 0 BEAERN Nc1ccc(-c2ccsc2Cl)nn1 ZINC000307602021 352667837 /nfs/dbraw/zinc/66/78/37/352667837.db2.gz VSOVZGUSPWBUIS-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@@H](CO)CNc1nc(Cl)ccc1Cl ZINC000307485971 352620927 /nfs/dbraw/zinc/62/09/27/352620927.db2.gz IVOWJTSAUNDQLS-ZCFIWIBFSA-N 0 0 235.114 2.429 10 0 BEAERN Cc1nn(C)cc1C(=O)[C@@H]1CCC[C@H]1C ZINC000307499072 352627079 /nfs/dbraw/zinc/62/70/79/352627079.db2.gz KXWRTRLWUVITJV-PSASIEDQSA-N 0 0 206.289 2.347 10 0 BEAERN CNc1cc(C)nc(C(C)(C)SC)n1 ZINC000307518351 352633053 /nfs/dbraw/zinc/63/30/53/352633053.db2.gz VDCIOBCLCRDFFI-UHFFFAOYSA-N 0 0 211.334 2.425 10 0 BEAERN O=c1cc(Cl)[nH]c(Br)c1 ZINC000307527865 352634717 /nfs/dbraw/zinc/63/47/17/352634717.db2.gz JOKDIDIHMZNIJA-UHFFFAOYSA-N 0 0 208.442 2.203 10 0 BEAERN CC[C@@H](F)Cn1ccc(Br)n1 ZINC000307526966 352634761 /nfs/dbraw/zinc/63/47/61/352634761.db2.gz KCIDHOSXPZTFNZ-ZCFIWIBFSA-N 0 0 221.073 2.394 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)Cc1ccccc1 ZINC000307529802 352635337 /nfs/dbraw/zinc/63/53/37/352635337.db2.gz PGKSKXOBJWGQCO-PWSUYJOCSA-N 0 0 208.326 2.343 10 0 BEAERN Cn1nc(-c2csc(Cl)c2)cc1N ZINC000307627704 352709077 /nfs/dbraw/zinc/70/90/77/352709077.db2.gz LLXJZDQEWWLMBP-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN CC[C@@]1(C)C(=O)N[C@H]1C1(SC)CCC1 ZINC000307617367 352673482 /nfs/dbraw/zinc/67/34/82/352673482.db2.gz VVEYSTUCLBRAPE-PSASIEDQSA-N 0 0 213.346 2.187 10 0 BEAERN Brc1nsc(-c2cncs2)n1 ZINC000232467661 352722273 /nfs/dbraw/zinc/72/22/73/352722273.db2.gz OQRBPWPJUXZXOT-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN NC(=O)c1cc(F)c(F)cc1C(F)F ZINC000307631601 352723093 /nfs/dbraw/zinc/72/30/93/352723093.db2.gz YQCWXNGRHKOFKW-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN Cc1c([C@@H]2CCOC2)nc2sccn12 ZINC000307653373 352742653 /nfs/dbraw/zinc/74/26/53/352742653.db2.gz PIHWHCOVTOXRDA-MRVPVSSYSA-N 0 0 208.286 2.208 10 0 BEAERN CC(=O)c1sc(NC2CCC2)cc1N ZINC000232489075 352748289 /nfs/dbraw/zinc/74/82/89/352748289.db2.gz GJXPSAWJSBJQHR-UHFFFAOYSA-N 0 0 210.302 2.497 10 0 BEAERN COc1c(C)nc(CSC)[nH]c1=S ZINC000307691268 352936117 /nfs/dbraw/zinc/93/61/17/352936117.db2.gz ISCZKEZBIHSRGF-UHFFFAOYSA-N 0 0 216.331 2.319 10 0 BEAERN CC(C)(C)[C@@H](O)[C@H](O)c1ccsc1 ZINC000232501260 352933968 /nfs/dbraw/zinc/93/39/68/352933968.db2.gz NNVRAZIUFGFMLN-BDAKNGLRSA-N 0 0 200.303 2.189 10 0 BEAERN Cc1cc(C)n(-c2cc(C)nc(Cl)n2)n1 ZINC000052815119 352983154 /nfs/dbraw/zinc/98/31/54/352983154.db2.gz XALGCTHDGXJXJZ-UHFFFAOYSA-N 0 0 222.679 2.241 10 0 BEAERN Cc1nc(Sc2cc(C)nc(Cl)n2)n[nH]1 ZINC000052815262 352989071 /nfs/dbraw/zinc/98/90/71/352989071.db2.gz ZNRRRWUVOXWIRM-UHFFFAOYSA-N 0 0 241.707 2.016 10 0 BEAERN COc1ccc2[nH]c(C(N)=O)c(OC(C)C)c2c1 ZINC000000020026 187924306 /nfs/dbraw/zinc/92/43/06/187924306.db2.gz NRBFSKQNLRSXRV-UHFFFAOYSA-N 0 0 248.282 2.063 10 0 BEAERN C[C@H](NOCc1ccccc1)c1cn[nH]c1 ZINC000307696206 352964183 /nfs/dbraw/zinc/96/41/83/352964183.db2.gz KAAKBIRJPAGSQF-JTQLQIEISA-N 0 0 217.272 2.192 10 0 BEAERN CN(c1cc[nH+]cc1C(=O)[O-])C(C)(C)C ZINC000306546604 353023576 /nfs/dbraw/zinc/02/35/76/353023576.db2.gz BLFRDGUOJSUIKL-UHFFFAOYSA-N 0 0 208.261 2.015 10 0 BEAERN Cc1cc(C)cc(C[C@@H](O)c2ncccn2)c1 ZINC000038077273 187943887 /nfs/dbraw/zinc/94/38/87/187943887.db2.gz JMUKJYSGTUGKHR-CYBMUJFWSA-N 0 0 228.295 2.370 10 0 BEAERN Cc1ocnc1CNc1nsnc1Cl ZINC000306585220 353027284 /nfs/dbraw/zinc/02/72/84/353027284.db2.gz QPUIPDVZMARAIL-UHFFFAOYSA-N 0 0 230.680 2.100 10 0 BEAERN Cn1ncc2c1Nc1ccccc1NC2 ZINC000072232904 180827643 /nfs/dbraw/zinc/82/76/43/180827643.db2.gz YAHHFPJGDOWLGU-UHFFFAOYSA-N 0 0 200.245 2.089 10 0 BEAERN Cc1cnn(C)c1C(=O)C1(C)CCCC1 ZINC000306695433 353035620 /nfs/dbraw/zinc/03/56/20/353035620.db2.gz WCFWRLMJBNMYAE-UHFFFAOYSA-N 0 0 206.289 2.492 10 0 BEAERN CSc1cc(N[C@@H]2CC[C@H]2C)ncn1 ZINC000306241438 352998855 /nfs/dbraw/zinc/99/88/55/352998855.db2.gz LCEUHDFYZBCTCS-HTQZYQBOSA-N 0 0 209.318 2.409 10 0 BEAERN C/C=C\COc1nc(F)c(F)cc1F ZINC000393670640 353002114 /nfs/dbraw/zinc/00/21/14/353002114.db2.gz KDBJLPWAVPEXNL-IHWYPQMZSA-N 0 0 203.163 2.454 10 0 BEAERN Cc1nc(N)sc1-c1cccc(O)c1 ZINC000019683277 187935028 /nfs/dbraw/zinc/93/50/28/187935028.db2.gz AGTJYTUJNVGCGC-UHFFFAOYSA-N 0 0 206.270 2.406 10 0 BEAERN CC(C)N(C)c1ccc(C(N)=S)cc1 ZINC000019866845 187935197 /nfs/dbraw/zinc/93/51/97/187935197.db2.gz LWFBVRRJPFRRKE-UHFFFAOYSA-N 0 0 208.330 2.165 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nc(C)cc(OC)n1 ZINC000231663199 538106940 /nfs/dbraw/zinc/10/69/40/538106940.db2.gz FOHOTMJXPYILDK-VHSXEESVSA-N 0 0 221.304 2.394 10 0 BEAERN COc1cc(N)ccc1NC(=O)c1ccoc1C ZINC000021962140 187936798 /nfs/dbraw/zinc/93/67/98/187936798.db2.gz IPDRWQKKTMWHEO-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN CC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCO2 ZINC000032010236 187938559 /nfs/dbraw/zinc/93/85/59/187938559.db2.gz NOHXRDUTFCCXER-UWVGGRQHSA-N 0 0 204.225 2.108 10 0 BEAERN Cc1ccc([C@@]2(O)CCOC[C@@H]2C)s1 ZINC000300958621 363200818 /nfs/dbraw/zinc/20/08/18/363200818.db2.gz GBQXBLVGDOZGFT-GZMMTYOYSA-N 0 0 212.314 2.301 10 0 BEAERN Clc1nc(NCc2cocn2)cs1 ZINC000306432759 353014014 /nfs/dbraw/zinc/01/40/14/353014014.db2.gz UMPYTDYKWPQYTL-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN O=C(c1ccc[nH]1)c1ccncc1Cl ZINC000307146934 353057861 /nfs/dbraw/zinc/05/78/61/353057861.db2.gz OCIFAARZALPGEJ-UHFFFAOYSA-N 0 0 206.632 2.294 10 0 BEAERN Clc1nc(N2CCCOCC2)cs1 ZINC000307205573 353060357 /nfs/dbraw/zinc/06/03/57/353060357.db2.gz JZGSMWSTYWNUIU-UHFFFAOYSA-N 0 0 218.709 2.023 10 0 BEAERN C[C@H]1CCCC[C@@H]1n1cnc(C(=O)[O-])c1 ZINC000300953409 363202214 /nfs/dbraw/zinc/20/22/14/363202214.db2.gz QATIIQQDAXQYRB-WPRPVWTQSA-N 0 0 208.261 2.333 10 0 BEAERN CNc1ncc(C(=O)NCC(C)C)cc1Cl ZINC000050725580 187953476 /nfs/dbraw/zinc/95/34/76/187953476.db2.gz UBYSDUQQQICNFN-UHFFFAOYSA-N 0 0 241.722 2.163 10 0 BEAERN CCNc1ccccc1C(=O)N[C@H]1C[C@H]1C ZINC000052303357 187954484 /nfs/dbraw/zinc/95/44/84/187954484.db2.gz WPMNPWHGZYNVDF-SKDRFNHKSA-N 0 0 218.300 2.257 10 0 BEAERN Cc1cscc1Nc1nc(N)ns1 ZINC000307011027 353049488 /nfs/dbraw/zinc/04/94/88/353049488.db2.gz JLWZTCDWIMOHPK-UHFFFAOYSA-N 0 0 212.303 2.234 10 0 BEAERN C[C@]1(c2nc(Cl)n[nH]2)CCCS1 ZINC000307056246 353052206 /nfs/dbraw/zinc/05/22/06/353052206.db2.gz BWWOVFQAJKRWBT-SSDOTTSWSA-N 0 0 203.698 2.200 10 0 BEAERN COc1ncc(Br)c(C)c1C ZINC000076645337 187965124 /nfs/dbraw/zinc/96/51/24/187965124.db2.gz OXDSSEXMNLHNFK-UHFFFAOYSA-N 0 0 216.078 2.470 10 0 BEAERN Brc1noc(CCC2CC2)n1 ZINC000307089824 353053875 /nfs/dbraw/zinc/05/38/75/353053875.db2.gz OXHHYZHKXXZADB-UHFFFAOYSA-N 0 0 217.066 2.175 10 0 BEAERN CC(C)Oc1ccnc(Br)n1 ZINC000095775910 187975088 /nfs/dbraw/zinc/97/50/88/187975088.db2.gz ZCUHCBJLQJTBNC-UHFFFAOYSA-N 0 0 217.066 2.026 10 0 BEAERN CC(C)COc1cccc(C(N)=S)c1 ZINC000019518792 188003016 /nfs/dbraw/zinc/00/30/16/188003016.db2.gz AMJLLHMYZXLEKL-UHFFFAOYSA-N 0 0 209.314 2.356 10 0 BEAERN Cc1ncc([C@H]2CCCCC(=O)C2)n1C ZINC000307722236 353111180 /nfs/dbraw/zinc/11/11/80/353111180.db2.gz RZQIQOHSUIHFAG-JTQLQIEISA-N 0 0 206.289 2.345 10 0 BEAERN Cc1nc(N)sc1-c1nc2c(nccc2C)[nH]1 ZINC000104222465 187978934 /nfs/dbraw/zinc/97/89/34/187978934.db2.gz KURZIXUUXIRWCD-UHFFFAOYSA-N 0 0 245.311 2.280 10 0 BEAERN CC(C)(NC1N=NC(=S)S1)C1CC1 ZINC000232539985 353115285 /nfs/dbraw/zinc/11/52/85/353115285.db2.gz ZNLNMAUOVAQAAU-UHFFFAOYSA-N 0 0 215.347 2.427 10 0 BEAERN COCCN(CCOC)c1ccc2c(c1)CCC2 ZINC000119368941 187982140 /nfs/dbraw/zinc/98/21/40/187982140.db2.gz PURMJIOTBMETFY-UHFFFAOYSA-N 0 0 249.354 2.275 10 0 BEAERN CCSc1ccc(NC2COC2)cn1 ZINC000307535694 353081777 /nfs/dbraw/zinc/08/17/77/353081777.db2.gz OYZKECCCESQBCG-UHFFFAOYSA-N 0 0 210.302 2.004 10 0 BEAERN Nc1c(F)cccc1NCCC(F)F ZINC000307554937 353084285 /nfs/dbraw/zinc/08/42/85/353084285.db2.gz XFEYXKSEBDKUJS-UHFFFAOYSA-N 0 0 204.195 2.475 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)CC1CCCC1 ZINC000305052603 187990419 /nfs/dbraw/zinc/99/04/19/187990419.db2.gz FGYISLOBNJMZOZ-NSHDSACASA-N 0 0 227.348 2.090 10 0 BEAERN CC1(C)OCC[C@@H]1Nc1nsnc1Cl ZINC000307706759 353099199 /nfs/dbraw/zinc/09/91/99/353099199.db2.gz YFPGTWJSOWOKMM-YFKPBYRVSA-N 0 0 233.724 2.171 10 0 BEAERN Cc1ncc(Br)c(NCC2CC2)n1 ZINC000307738661 353122288 /nfs/dbraw/zinc/12/22/88/353122288.db2.gz XFVJKFBUUTVRQX-UHFFFAOYSA-N 0 0 242.120 2.369 10 0 BEAERN CC(C)(O)/C=C\c1cccc2c1NCC2 ZINC000211716885 188008379 /nfs/dbraw/zinc/00/83/79/188008379.db2.gz CIPAUIHPYWJAAW-VURMDHGXSA-N 0 0 203.285 2.439 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@H]1c1cccc(O)c1 ZINC000140429202 353124736 /nfs/dbraw/zinc/12/47/36/353124736.db2.gz YANMSKHDZCCRIX-GHMZBOCLSA-N 0 0 206.241 2.059 10 0 BEAERN Cc1cc([C@]2(O)CS[C@@H](C)C2)sn1 ZINC000307746008 353125265 /nfs/dbraw/zinc/12/52/65/353125265.db2.gz UDKRBHHSWSHLHW-IONNQARKSA-N 0 0 215.343 2.165 10 0 BEAERN Nc1cc(OC(F)(F)F)c(N)cc1Cl ZINC000307746302 353125661 /nfs/dbraw/zinc/12/56/61/353125661.db2.gz VBBRASYBWVPFKJ-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN CC(C)c1ccn(-c2cncc(Cl)n2)n1 ZINC000052884945 353127366 /nfs/dbraw/zinc/12/73/66/353127366.db2.gz VHTLWBPFVNKTMS-UHFFFAOYSA-N 0 0 222.679 2.439 10 0 BEAERN Cc1ccn(-c2ccc(C=O)cc2C)n1 ZINC000052884533 353127380 /nfs/dbraw/zinc/12/73/80/353127380.db2.gz ZODBOMNRKVQLNM-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN O[C@@H](Cc1cccs1)c1cccnc1 ZINC000052900224 353129924 /nfs/dbraw/zinc/12/99/24/353129924.db2.gz UAYLDUWGRBAJCR-NSHDSACASA-N 0 0 205.282 2.419 10 0 BEAERN Brc1nc(C2CSC2)ns1 ZINC000405143052 353130697 /nfs/dbraw/zinc/13/06/97/353130697.db2.gz GWLHUMRPHUADAW-UHFFFAOYSA-N 0 0 237.147 2.131 10 0 BEAERN CC(C)(O)[C@@H](O)c1ccc(Cl)cc1F ZINC000232567227 353134376 /nfs/dbraw/zinc/13/43/76/353134376.db2.gz UUTRHOTYEDRGQL-VIFPVBQESA-N 0 0 218.655 2.283 10 0 BEAERN C[C@H]1Cc2c(c(Cl)cc(F)c2N)O1 ZINC000218697498 353135999 /nfs/dbraw/zinc/13/59/99/353135999.db2.gz IZSMEJHXQVDCAQ-BYPYZUCNSA-N 0 0 201.628 2.385 10 0 BEAERN CC(C)(O)[C@H](O)c1ccc(Cl)cc1F ZINC000232574854 353136590 /nfs/dbraw/zinc/13/65/90/353136590.db2.gz UUTRHOTYEDRGQL-SECBINFHSA-N 0 0 218.655 2.283 10 0 BEAERN COc1ccc([C@@H](C)C[NH2+]CCF)cc1 ZINC000280589281 188031581 /nfs/dbraw/zinc/03/15/81/188031581.db2.gz AZQXJTDGQUSISZ-JTQLQIEISA-N 0 0 211.280 2.358 10 0 BEAERN CCOC(=O)c1c(Cl)cc(Cl)nc1C=O ZINC000223128651 353139904 /nfs/dbraw/zinc/13/99/04/353139904.db2.gz NGVWKKGDMBBRQZ-UHFFFAOYSA-N 0 0 248.065 2.378 10 0 BEAERN CC(C)=C[C@@H]1C(=O)N=C(CC(C)C)C1=O ZINC000100234812 188039329 /nfs/dbraw/zinc/03/93/29/188039329.db2.gz SCVBNACRSBOLRU-VIFPVBQESA-N 0 0 207.273 2.165 10 0 BEAERN C[C@@H]1CNc2nc(Br)ccc2O1 ZINC000077011714 188048445 /nfs/dbraw/zinc/04/84/45/188048445.db2.gz PRWVSQIQRWZJOP-RXMQYKEDSA-N 0 0 229.077 2.037 10 0 BEAERN O=c1c(Cl)nccn1Cc1cccc(F)c1 ZINC000165095143 353159119 /nfs/dbraw/zinc/15/91/19/353159119.db2.gz HADYCRYPYQAOEV-UHFFFAOYSA-N 0 0 238.649 2.084 10 0 BEAERN C[C@@H]1C[C@](O)(CC[C@H]2CCCO2)CS1 ZINC000252183753 363205085 /nfs/dbraw/zinc/20/50/85/363205085.db2.gz TZLGMJPTROJKHU-GMTAPVOTSA-N 0 0 216.346 2.202 10 0 BEAERN Cc1nc(N)sc1S[C@@H]1CCSC1 ZINC000405246339 353151188 /nfs/dbraw/zinc/15/11/88/353151188.db2.gz CUYPNQOWUBGJMP-ZCFIWIBFSA-N 0 0 232.399 2.462 10 0 BEAERN CCOC(=O)N1CCC(C(F)F)CC1 ZINC000307862284 353152140 /nfs/dbraw/zinc/15/21/40/353152140.db2.gz YBKNMBPBMUVPHQ-UHFFFAOYSA-N 0 0 207.220 2.120 10 0 BEAERN CCOC(OCC)[C@@H]1C[C@H](C)CCC1=O ZINC000121995519 538110260 /nfs/dbraw/zinc/11/02/60/538110260.db2.gz ULDPLXGGGQASCW-NXEZZACHSA-N 0 0 214.305 2.391 10 0 BEAERN CCOC(CC(=O)c1ccoc1)OCC ZINC000122015924 538110404 /nfs/dbraw/zinc/11/04/04/538110404.db2.gz BLFVTLWOLXRETK-UHFFFAOYSA-N 0 0 212.245 2.252 10 0 BEAERN O=C1CCC(O[C@@H]2CCSC2)CC1 ZINC000405329799 353192524 /nfs/dbraw/zinc/19/25/24/353192524.db2.gz WFAVJPLNVIUIFQ-SNVBAGLBSA-N 0 0 200.303 2.020 10 0 BEAERN CCOC(=O)c1noc(-c2sccc2F)n1 ZINC000309272839 538111165 /nfs/dbraw/zinc/11/11/65/538111165.db2.gz RNQISGSUTYLYDA-UHFFFAOYSA-N 0 0 242.231 2.114 10 0 BEAERN CC(C)OC(=O)N1CC(F)(F)C(F)(F)C1 ZINC000313368854 259438847 /nfs/dbraw/zinc/43/88/47/259438847.db2.gz YXQOTJIHCKCEMI-UHFFFAOYSA-N 0 0 229.173 2.118 10 0 BEAERN CCC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405519078 538111286 /nfs/dbraw/zinc/11/12/86/538111286.db2.gz VVRDDAQAOWHFPH-VHSXEESVSA-N 0 0 241.331 2.469 10 0 BEAERN CCC(C)(CC)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000134532587 538112901 /nfs/dbraw/zinc/11/29/01/538112901.db2.gz OQQOTCXQDDLFHT-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CC(C)[C@H](C)Nc1ccc2c(c1)C(=O)NC2 ZINC000134498440 538112633 /nfs/dbraw/zinc/11/26/33/538112633.db2.gz PNJVCEULQBHWGM-VIFPVBQESA-N 0 0 218.300 2.386 10 0 BEAERN C[C@]1(Nc2ccc(Cl)cn2)CCOC1 ZINC000229478502 353270607 /nfs/dbraw/zinc/27/06/07/353270607.db2.gz XBOSLEXVWDSPDM-JTQLQIEISA-N 0 0 212.680 2.326 10 0 BEAERN FC(F)n1ccc2nc(Cl)ncc21 ZINC000299890302 180913746 /nfs/dbraw/zinc/91/37/46/180913746.db2.gz XKMVFRXWVNZQOB-UHFFFAOYSA-N 0 0 203.579 2.480 10 0 BEAERN Cc1c(Br)cccc1[C@@H](C)NN ZINC000127212268 353265467 /nfs/dbraw/zinc/26/54/67/353265467.db2.gz BXZHPMOSTGCIGQ-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN CC(C)[C@H](C)Nc1nc(Cl)ncc1N ZINC000232717409 353268457 /nfs/dbraw/zinc/26/84/57/353268457.db2.gz XMEGXFQAKDMTFN-LURJTMIESA-N 0 0 214.700 2.169 10 0 BEAERN Cc1ccc(CCC(=O)NCc2ccco2)o1 ZINC000039884215 188255984 /nfs/dbraw/zinc/25/59/84/188255984.db2.gz RJTVYXLIIGMMML-UHFFFAOYSA-N 0 0 233.267 2.430 10 0 BEAERN CCCc1c(Cl)nc2ncnn2c1Cl ZINC000129051263 353308436 /nfs/dbraw/zinc/30/84/36/353308436.db2.gz ALLCSWDUMJWHRE-UHFFFAOYSA-N 0 0 231.086 2.384 10 0 BEAERN CC(=O)CC(C)(C)n1nc2ccccc2n1 ZINC000005283395 188278009 /nfs/dbraw/zinc/27/80/09/188278009.db2.gz LLIDWVGMWIYGTK-UHFFFAOYSA-N 0 0 217.272 2.146 10 0 BEAERN CC(=O)NCC[C@@H]1CCc2cc3c(cc21)OCC3 ZINC000013491265 188279436 /nfs/dbraw/zinc/27/94/36/188279436.db2.gz CMAHAUDQVSPPTI-NSHDSACASA-N 0 0 245.322 2.178 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccccc1F ZINC000026511858 188283392 /nfs/dbraw/zinc/28/33/92/188283392.db2.gz BODZJNGIZDXCBF-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN CC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000034770509 188284833 /nfs/dbraw/zinc/28/48/33/188284833.db2.gz ASXHXGGZZYEQQV-UHFFFAOYSA-N 0 0 215.293 2.269 10 0 BEAERN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccco1 ZINC000035139758 188285140 /nfs/dbraw/zinc/28/51/40/188285140.db2.gz PBBMLJKCPMTWRY-MNOVXSKESA-N 0 0 238.331 2.091 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)c1c[nH]c2ncccc12 ZINC000034976929 188285366 /nfs/dbraw/zinc/28/53/66/188285366.db2.gz VKBFNIRMKALPBB-APPZFPTMSA-N 0 0 200.241 2.402 10 0 BEAERN C[C@@H](C1CC1)N(C)C(=O)CCc1cccc(N)c1 ZINC000036786309 188286052 /nfs/dbraw/zinc/28/60/52/188286052.db2.gz XUTPUYAGWGDWBV-NSHDSACASA-N 0 0 246.354 2.458 10 0 BEAERN CC(C)(C)c1ccc2oc([C@@H](N)CO)nc2c1 ZINC000036749718 188286403 /nfs/dbraw/zinc/28/64/03/188286403.db2.gz AQUOOHXSULASME-VIFPVBQESA-N 0 0 234.299 2.117 10 0 BEAERN C[C@H](NC(=O)C1CCC1)c1ccc(N)cc1 ZINC000037177469 188287395 /nfs/dbraw/zinc/28/73/95/188287395.db2.gz MKQHOILQHZZAHL-VIFPVBQESA-N 0 0 218.300 2.246 10 0 BEAERN Cc1ccc(N)c(C)c1NS(=O)(=O)C(C)C ZINC000037657236 188287679 /nfs/dbraw/zinc/28/76/79/188287679.db2.gz NHHJUDIMVTVSQO-UHFFFAOYSA-N 0 0 242.344 2.036 10 0 BEAERN CC(C)Cc1nc(C(=O)N[C@H]2C[C@@H]2C)cs1 ZINC000075511901 188308050 /nfs/dbraw/zinc/30/80/50/188308050.db2.gz LCIMIKZUUVBIEU-IUCAKERBSA-N 0 0 238.356 2.480 10 0 BEAERN CC(=O)CC(=O)N[C@H](C)c1c(F)cccc1F ZINC000037790679 188288523 /nfs/dbraw/zinc/28/85/23/188288523.db2.gz HVIUCQPZZXTERB-MRVPVSSYSA-N 0 0 241.237 2.121 10 0 BEAERN CC(C)(C)c1ccc([C@H]2CNC(=O)N2)cc1 ZINC000077326528 188291199 /nfs/dbraw/zinc/29/11/99/188291199.db2.gz OQOOJTQRZYOCQE-LLVKDONJSA-N 0 0 218.300 2.338 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1sccc1N ZINC000040302387 188291290 /nfs/dbraw/zinc/29/12/90/188291290.db2.gz VREFYIFWEWERGV-ZETCQYMHSA-N 0 0 212.318 2.105 10 0 BEAERN Cc1ccnc(-n2ncc3c2ncnc3Cl)c1 ZINC000043671575 188295708 /nfs/dbraw/zinc/29/57/08/188295708.db2.gz HVJGRZPIPATMFI-UHFFFAOYSA-N 0 0 245.673 2.172 10 0 BEAERN Nc1ccc(SCCO)c(Br)c1 ZINC000043597896 188295888 /nfs/dbraw/zinc/29/58/88/188295888.db2.gz OPDRFZFQSXPDBF-UHFFFAOYSA-N 0 0 248.145 2.116 10 0 BEAERN CCN(C)c1cccc(Br)n1 ZINC000044117831 188296920 /nfs/dbraw/zinc/29/69/20/188296920.db2.gz IYTWONCHOKGIBT-UHFFFAOYSA-N 0 0 215.094 2.300 10 0 BEAERN CC(C)Cn1cnnc1-c1c(N)cccc1F ZINC000054526184 188300242 /nfs/dbraw/zinc/30/02/42/188300242.db2.gz NOYAVDGFNXQKAM-UHFFFAOYSA-N 0 0 234.278 2.322 10 0 BEAERN CC(=O)c1cnn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600533 188300967 /nfs/dbraw/zinc/30/09/67/188300967.db2.gz ARBXWQNMFVHYAT-CHWSQXEVSA-N 0 0 236.315 2.260 10 0 BEAERN COc1ccc(F)cc1C1(C)OCCO1 ZINC000057496642 188301631 /nfs/dbraw/zinc/30/16/31/188301631.db2.gz DRIAIHONAZATEV-UHFFFAOYSA-N 0 0 212.220 2.054 10 0 BEAERN CC(C)N(C)C(=O)CNc1ccc(F)c(F)c1 ZINC000059099799 188302183 /nfs/dbraw/zinc/30/21/83/188302183.db2.gz DIOOXMQAOWVUNZ-UHFFFAOYSA-N 0 0 242.269 2.244 10 0 BEAERN COc1ccc([C@@H](O)[C@H]2CCCOC2)cc1F ZINC000062240049 188303230 /nfs/dbraw/zinc/30/32/30/188303230.db2.gz NBQVQUKFYJBVBM-GXFFZTMASA-N 0 0 240.274 2.294 10 0 BEAERN CCCC(=O)COc1cc(OC)cc(OC)c1 ZINC000070142934 188304657 /nfs/dbraw/zinc/30/46/57/188304657.db2.gz GOCXPPWUZUXNGD-UHFFFAOYSA-N 0 0 238.283 2.452 10 0 BEAERN CC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1C ZINC000090733390 188304713 /nfs/dbraw/zinc/30/47/13/188304713.db2.gz GCCVRCZMVYRDCO-GZMMTYOYSA-N 0 0 219.240 2.115 10 0 BEAERN CC(=O)Nc1cc2onc(C)c2cc1C ZINC000090759686 188305326 /nfs/dbraw/zinc/30/53/26/188305326.db2.gz MHKMHMYPIIUJGN-UHFFFAOYSA-N 0 0 204.229 2.403 10 0 BEAERN Clc1nc(Cl)nc(-c2cccnc2)n1 ZINC000072193567 188307370 /nfs/dbraw/zinc/30/73/70/188307370.db2.gz OOQOMWGGENUWJZ-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN C[C@@H](O)c1ccc(C(=O)OC(C)(C)C)cc1N ZINC000095934569 188321354 /nfs/dbraw/zinc/32/13/54/188321354.db2.gz YCEVDRVVAVFVON-MRVPVSSYSA-N 0 0 237.299 2.277 10 0 BEAERN CC(C)(C)c1cc(N)nn1Cc1cccnc1 ZINC000095882088 188321544 /nfs/dbraw/zinc/32/15/44/188321544.db2.gz VDJHHEPUGZPSTD-UHFFFAOYSA-N 0 0 230.315 2.206 10 0 BEAERN CCc1nccn1-c1ccc(N)c(C)c1 ZINC000042419571 188323649 /nfs/dbraw/zinc/32/36/49/188323649.db2.gz AZXOWPFPESXGPC-UHFFFAOYSA-N 0 0 201.273 2.325 10 0 BEAERN Cn1ccnc1-c1ccc(Cl)cc1N ZINC000082532972 188313025 /nfs/dbraw/zinc/31/30/25/188313025.db2.gz GZKRWOYRBBLGCH-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN COc1ccc(CNc2cncnc2)cc1 ZINC000082711962 188315005 /nfs/dbraw/zinc/31/50/05/188315005.db2.gz XQZKTBZZAQYLOH-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN CC(C)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000091353162 188319145 /nfs/dbraw/zinc/31/91/45/188319145.db2.gz JUZIMGUWBKZUKA-CYBMUJFWSA-N 0 0 243.347 2.404 10 0 BEAERN CC(C)C[C@@H]1CNC(=O)CN1Cc1ccccc1 ZINC000095642600 188319758 /nfs/dbraw/zinc/31/97/58/188319758.db2.gz HHDDOTLYENLVQX-CQSZACIVSA-N 0 0 246.354 2.033 10 0 BEAERN CSc1ccc(C(N)=O)cc1OC1CC1 ZINC000095732805 188320041 /nfs/dbraw/zinc/32/00/41/188320041.db2.gz KCTZGDGBDGVUOG-UHFFFAOYSA-N 0 0 223.297 2.049 10 0 BEAERN CC1(CC(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)CC1 ZINC000334505197 353357563 /nfs/dbraw/zinc/35/75/63/353357563.db2.gz PTTZNNXRZFDFLD-RYUDHWBXSA-N 0 0 249.354 2.204 10 0 BEAERN CC(C)N(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC000107097287 188325379 /nfs/dbraw/zinc/32/53/79/188325379.db2.gz XWHNUWWCKCCCRJ-UHFFFAOYSA-N 0 0 245.282 2.217 10 0 BEAERN CC(C)C[C@@H]1CC[C@@](C[NH3+])(CC(=O)[O-])C1 ZINC000045348424 188326309 /nfs/dbraw/zinc/32/63/09/188326309.db2.gz ILWROPVYLIZBFJ-JQWIXIFHSA-N 0 0 213.321 2.252 10 0 BEAERN CC(C)[C@H](O)Cc1nc(Cc2ccccc2)no1 ZINC000109484018 188326403 /nfs/dbraw/zinc/32/64/03/188326403.db2.gz GIVASVCEWNCVNN-GFCCVEGCSA-N 0 0 246.310 2.220 10 0 BEAERN CCOc1ccccc1-c1coc(N)n1 ZINC000050266279 188328473 /nfs/dbraw/zinc/32/84/73/188328473.db2.gz HYUVZLHRJAIGHR-UHFFFAOYSA-N 0 0 204.229 2.323 10 0 BEAERN COCCN(CCOC)c1ccc(C)c(C)c1 ZINC000119379707 188328740 /nfs/dbraw/zinc/32/87/40/188328740.db2.gz WZRTVESMNGGOIP-UHFFFAOYSA-N 0 0 237.343 2.403 10 0 BEAERN Brc1ccn([C@@H]2CCSC2)n1 ZINC000405391799 353340099 /nfs/dbraw/zinc/34/00/99/353340099.db2.gz GVKVNAJKUTXZBH-ZCFIWIBFSA-N 0 0 233.134 2.324 10 0 BEAERN CC(C)[C@H](O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000154611872 188332283 /nfs/dbraw/zinc/33/22/83/188332283.db2.gz FMRKISBHVCKFQF-LLVKDONJSA-N 0 0 243.253 2.310 10 0 BEAERN CC(C)C(=O)C(C)(C)C(=O)N1CCCCC1 ZINC000001755595 188335015 /nfs/dbraw/zinc/33/50/15/188335015.db2.gz SLTCQIMTEMTYEH-UHFFFAOYSA-N 0 0 225.332 2.250 10 0 BEAERN CCCCN1CCO[C@H](c2nccs2)C1 ZINC000171139098 188338175 /nfs/dbraw/zinc/33/81/75/188338175.db2.gz WUYZSBFUECGHEM-JTQLQIEISA-N 0 0 226.345 2.317 10 0 BEAERN C/C=C(\C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000176380778 188341310 /nfs/dbraw/zinc/34/13/10/188341310.db2.gz ZBHJXIYVEOOQAA-DDXVTDLHSA-N 0 0 241.331 2.141 10 0 BEAERN NC(=S)c1ccc(NC2CCCC2)nc1 ZINC000019423871 188349695 /nfs/dbraw/zinc/34/96/95/188349695.db2.gz QIMOKNXVJYLIAQ-UHFFFAOYSA-N 0 0 221.329 2.070 10 0 BEAERN CC(=O)CC(=O)N(C)C1CCC(C)CC1 ZINC000019413601 188349839 /nfs/dbraw/zinc/34/98/39/188349839.db2.gz AQSUCNRLWCSKAW-UHFFFAOYSA-N 0 0 211.305 2.003 10 0 BEAERN CC(C)N1CC(C)(C)N[C@@H]1c1ccco1 ZINC000019319897 188349983 /nfs/dbraw/zinc/34/99/83/188349983.db2.gz LFZRIMVPGHCLNP-NSHDSACASA-N 0 0 208.305 2.370 10 0 BEAERN Cn1c(Br)cnc1C(F)(F)F ZINC000082349718 188350469 /nfs/dbraw/zinc/35/04/69/188350469.db2.gz OKMBQAWMQVQEID-UHFFFAOYSA-N 0 0 228.999 2.201 10 0 BEAERN COc1ccc([C@@H](O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000021990538 188355532 /nfs/dbraw/zinc/35/55/32/188355532.db2.gz RYWCCTNSLWPELM-JIMOISOXSA-N 0 0 222.284 2.296 10 0 BEAERN C[C@H](CO)Sc1ccc(Br)cn1 ZINC000133496449 353418411 /nfs/dbraw/zinc/41/84/11/353418411.db2.gz DEJNWLOGWXLWKA-ZCFIWIBFSA-N 0 0 248.145 2.317 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000230079075 353419212 /nfs/dbraw/zinc/41/92/12/353419212.db2.gz IXDYWLOQQAJUFJ-CABZTGNLSA-N 0 0 239.340 2.301 10 0 BEAERN CCn1cccc1C[NH2+]C[C@H](O)CC(C)(C)C ZINC000226071146 188358239 /nfs/dbraw/zinc/35/82/39/188358239.db2.gz JALAKUKYIJSRIK-CYBMUJFWSA-N 0 0 238.375 2.395 10 0 BEAERN CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl ZINC000034082208 188358796 /nfs/dbraw/zinc/35/87/96/188358796.db2.gz XBWPUKKLMDHENA-UHFFFAOYSA-N 0 0 236.658 2.140 10 0 BEAERN Cc1cnc(N)c(-c2ccc(O)cc2)c1 ZINC000065380628 188363117 /nfs/dbraw/zinc/36/31/17/188363117.db2.gz OVCDETJORNTOIS-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN CC(=S)Nc1ccc2c(c1)OCCO2 ZINC000090760442 188385887 /nfs/dbraw/zinc/38/58/87/188385887.db2.gz WYDBLRILBMDABD-UHFFFAOYSA-N 0 0 209.270 2.217 10 0 BEAERN Fc1ccc(CC(=S)N2CCOCC2)cc1 ZINC000022130321 180964536 /nfs/dbraw/zinc/96/45/36/180964536.db2.gz WFROKAIVBJNINY-UHFFFAOYSA-N 0 0 239.315 2.028 10 0 BEAERN Fc1ccc(F)c(CNc2cncnc2)c1 ZINC000083350934 180973692 /nfs/dbraw/zinc/97/36/92/180973692.db2.gz OPVPDSFDIUJRST-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Fc1ccc(F)c(NCc2cncnc2)c1 ZINC000054766907 180974695 /nfs/dbraw/zinc/97/46/95/180974695.db2.gz GOOXKDPYACQCAT-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN CC(C)C(=O)Nc1ccc(N[C@H]2CCOC2)cc1 ZINC000104055040 188405912 /nfs/dbraw/zinc/40/59/12/188405912.db2.gz IWPHICJKZFXRDT-ZDUSSCGKSA-N 0 0 248.326 2.482 10 0 BEAERN CC1CC([N@@H+]2CCCC[C@@]2(C)C(=O)[O-])C1 ZINC000232815457 353582316 /nfs/dbraw/zinc/58/23/16/353582316.db2.gz NYDDPPXKUMAJPZ-CBINBANVSA-N 0 0 211.305 2.114 10 0 BEAERN CC1CC([N@@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000232815106 353582321 /nfs/dbraw/zinc/58/23/21/353582321.db2.gz QMMPHRWDTTVKEE-VQXHTEKXSA-N 0 0 211.305 2.114 10 0 BEAERN CC(=O)Nc1cc(Cl)c(Br)cn1 ZINC000215915185 353564817 /nfs/dbraw/zinc/56/48/17/353564817.db2.gz AJORAFCTYBOMAV-UHFFFAOYSA-N 0 0 249.495 2.456 10 0 BEAERN Ic1cnn(C2CCC2)c1 ZINC000096286976 353663758 /nfs/dbraw/zinc/66/37/58/353663758.db2.gz SDORWWNUKLHEGH-UHFFFAOYSA-N 0 0 248.067 2.213 10 0 BEAERN CC[C@@H]1CCCN1C(=O)c1cccc(OC)c1O ZINC000037915243 358480296 /nfs/dbraw/zinc/48/02/96/358480296.db2.gz VJMWOCWRXKGYLZ-SNVBAGLBSA-N 0 0 249.310 2.415 10 0 BEAERN Fc1cccc(Cl)c1[C@@H]1NCCO1 ZINC000049812313 181000061 /nfs/dbraw/zinc/00/00/61/181000061.db2.gz POUGVOAGPBHKLM-SECBINFHSA-N 0 0 201.628 2.098 10 0 BEAERN CCCCCNc1cc(OC)nc(C)n1 ZINC000082482546 168721596 /nfs/dbraw/zinc/72/15/96/168721596.db2.gz CEZYYWWVQGFLDP-UHFFFAOYSA-N 0 0 209.293 2.396 10 0 BEAERN Fc1cccc(F)c1NCc1ccncn1 ZINC000054788892 181001228 /nfs/dbraw/zinc/00/12/28/181001228.db2.gz GIEIVQSLHLWKQN-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Fc1cccc2c1SCC[C@H]2NC1COC1 ZINC000087194618 181006551 /nfs/dbraw/zinc/00/65/51/181006551.db2.gz MGOWHZHDXXCIRT-LLVKDONJSA-N 0 0 239.315 2.351 10 0 BEAERN Fc1ccccc1Cn1nnc2cccnc21 ZINC000169321763 181014180 /nfs/dbraw/zinc/01/41/80/181014180.db2.gz HZFAZFKKBGRNFG-UHFFFAOYSA-N 0 0 228.230 2.014 10 0 BEAERN Fc1ccccc1NCc1cncnc1 ZINC000054766969 181014472 /nfs/dbraw/zinc/01/44/72/181014472.db2.gz SPLFWMBFAZNOAG-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN CCCCNS(=O)(=O)c1cc(C)sc1C ZINC000032548585 324215834 /nfs/dbraw/zinc/21/58/34/324215834.db2.gz YVJFXQMZBAKMNW-UHFFFAOYSA-N 0 0 247.385 2.443 10 0 BEAERN Cc1cc(Br)c(F)c2c1NC(=O)C2 ZINC000160230570 353812470 /nfs/dbraw/zinc/81/24/70/353812470.db2.gz UYYYOOJKCVZTSO-UHFFFAOYSA-N 0 0 244.063 2.391 10 0 BEAERN CCOC(=O)c1cc2c([nH]1)CC(F)(F)CC2 ZINC000220358387 353831982 /nfs/dbraw/zinc/83/19/82/353831982.db2.gz FFJQVVVQGHPWHD-UHFFFAOYSA-N 0 0 229.226 2.315 10 0 BEAERN CO[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000220364889 353837060 /nfs/dbraw/zinc/83/70/60/353837060.db2.gz ADBZNJHDCLYOQJ-AWEZNQCLSA-N 0 0 246.354 2.265 10 0 BEAERN CO[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000220364823 353837384 /nfs/dbraw/zinc/83/73/84/353837384.db2.gz ADBZNJHDCLYOQJ-CQSZACIVSA-N 0 0 246.354 2.265 10 0 BEAERN N#CN1CC[C@H](COCc2ccccc2)C1 ZINC000013529439 181053546 /nfs/dbraw/zinc/05/35/46/181053546.db2.gz JOXOPPDPWDHDAQ-ZDUSSCGKSA-N 0 0 216.284 2.006 10 0 BEAERN Cc1cnc([C@H](C)NCCOC(C)C)o1 ZINC000230643095 363315627 /nfs/dbraw/zinc/31/56/27/363315627.db2.gz UNQGZPPMRIVCCT-JTQLQIEISA-N 0 0 212.293 2.059 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nccs2)o1 ZINC000230647888 363315803 /nfs/dbraw/zinc/31/58/03/363315803.db2.gz OINWWJIVNUDBOL-MRVPVSSYSA-N 0 0 223.301 2.290 10 0 BEAERN C[C@@H]1COCC[C@H]1c1nnc(Cl)s1 ZINC000301023302 363338207 /nfs/dbraw/zinc/33/82/07/363338207.db2.gz OFKUMDNUEOTPNT-PHDIDXHHSA-N 0 0 218.709 2.332 10 0 BEAERN Cc1cn([C@H]2CCOC[C@H]2C)c(=S)[nH]1 ZINC000301028273 363340132 /nfs/dbraw/zinc/34/01/32/363340132.db2.gz QGRBIPVSMMYLAE-APPZFPTMSA-N 0 0 212.318 2.078 10 0 BEAERN CC(C)c1nccnc1NC1CC(F)(F)C1 ZINC000334581807 354200910 /nfs/dbraw/zinc/20/09/10/354200910.db2.gz FXOSBBRLQZDYBB-UHFFFAOYSA-N 0 0 227.258 2.232 10 0 BEAERN CCn1c(C)nnc1CS[C@@H]1CCO[C@@H]1C ZINC000178854434 366171669 /nfs/dbraw/zinc/17/16/69/366171669.db2.gz RGEZHVSWXIWCCI-PSASIEDQSA-N 0 0 241.360 2.017 10 0 BEAERN CCCN(CC(C)(C)O)C(=O)[C@@H]1CCC[C@H]1C ZINC000344992042 354390047 /nfs/dbraw/zinc/39/00/47/354390047.db2.gz MAMVVRCALJHFDB-VXGBXAGGSA-N 0 0 241.375 2.432 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C12CCC(CC1)C2 ZINC000345035515 354445688 /nfs/dbraw/zinc/44/56/88/354445688.db2.gz UZNVHZYYRYFSGK-CVZZAPKMSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H](C(=O)N1CCS[C@@H](C)C1)C(F)(F)F ZINC000334662829 354462664 /nfs/dbraw/zinc/46/26/64/354462664.db2.gz AKUMXFUXWRLHPU-BQBZGAKWSA-N 0 0 241.278 2.149 10 0 BEAERN C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@@H](C)O1 ZINC000334735424 354535967 /nfs/dbraw/zinc/53/59/67/354535967.db2.gz NDDBQYXIGQLMOR-RKDXNWHRSA-N 0 0 247.285 2.058 10 0 BEAERN C([C@H]1CCC2(CCCCC2)O1)N1CCOCC1 ZINC000190929615 354565461 /nfs/dbraw/zinc/56/54/61/354565461.db2.gz MKRBJNFDWMFRFY-CYBMUJFWSA-N 0 0 239.359 2.201 10 0 BEAERN CCC(C)(C)CC(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000335101489 354712087 /nfs/dbraw/zinc/71/20/87/354712087.db2.gz YLLNZCREIUTKGD-QWRGUYRKSA-N 0 0 227.348 2.042 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)C2=CCCCCC2)C1 ZINC000335122608 354761481 /nfs/dbraw/zinc/76/14/81/354761481.db2.gz QMUVNRWEOVREPE-AAEUAGOBSA-N 0 0 237.343 2.106 10 0 BEAERN C[C@H]1COCC[C@@H]1Nc1nsnc1Cl ZINC000301048453 363381330 /nfs/dbraw/zinc/38/13/30/363381330.db2.gz ZECRHCHDWZTNSF-WDSKDSINSA-N 0 0 233.724 2.028 10 0 BEAERN O=C(c1cc(Cl)ccn1)N1C[C@@H]2CCC[C@@H]21 ZINC000335144371 354851429 /nfs/dbraw/zinc/85/14/29/354851429.db2.gz APSNUXCYEUAXEM-KWQFWETISA-N 0 0 236.702 2.360 10 0 BEAERN CC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000335212134 355049758 /nfs/dbraw/zinc/04/97/58/355049758.db2.gz CGPNOZDVDKVSID-VXGBXAGGSA-N 0 0 237.343 2.347 10 0 BEAERN Cc1ccc2oc(N3C[C@H](C)C[C@@H](O)C3)nc2c1 ZINC000335237945 355099429 /nfs/dbraw/zinc/09/94/29/355099429.db2.gz NMTVMYHKZBBYCN-GHMZBOCLSA-N 0 0 246.310 2.343 10 0 BEAERN Cc1ccc2oc(N3C[C@@H](C)C[C@H](O)C3)nc2c1 ZINC000335237946 355099433 /nfs/dbraw/zinc/09/94/33/355099433.db2.gz NMTVMYHKZBBYCN-QWRGUYRKSA-N 0 0 246.310 2.343 10 0 BEAERN CCOCCCNc1nccnc1C(C)C ZINC000413026753 191345426 /nfs/dbraw/zinc/34/54/26/191345426.db2.gz WDUIOFOJMFQDGI-UHFFFAOYSA-N 0 0 223.320 2.439 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1C[C@H]1C ZINC000413058017 191351282 /nfs/dbraw/zinc/35/12/82/191351282.db2.gz ZIVMEERQOMRBPT-NXEZZACHSA-N 0 0 205.305 2.090 10 0 BEAERN CC(C)c1nccnc1NCc1ccoc1 ZINC000413077139 191354761 /nfs/dbraw/zinc/35/47/61/191354761.db2.gz RTUBJOUNERKKDJ-UHFFFAOYSA-N 0 0 217.272 2.227 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@H]1C[C@@H](C)O ZINC000413203163 191363941 /nfs/dbraw/zinc/36/39/41/191363941.db2.gz LXXSSBBQNRHQBM-VXGBXAGGSA-N 0 0 249.358 2.340 10 0 BEAERN CC(C)c1nccnc1NCC[C@H]1CCOC1 ZINC000413226368 191365042 /nfs/dbraw/zinc/36/50/42/191365042.db2.gz HQVHGXUTKLJOEN-NSHDSACASA-N 0 0 235.331 2.439 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@](C)(O)CC1 ZINC000413264544 191366698 /nfs/dbraw/zinc/36/66/98/191366698.db2.gz JIQQMQNIMSMECF-CQSZACIVSA-N 0 0 249.358 2.341 10 0 BEAERN Cc1ccnc(CNc2nccnc2C(C)C)c1 ZINC000413289601 191369094 /nfs/dbraw/zinc/36/90/94/191369094.db2.gz ACBGXCFDSCYACS-UHFFFAOYSA-N 0 0 242.326 2.337 10 0 BEAERN CCCN(C)c1c(N)c[nH+]cc1Br ZINC000233003470 355276423 /nfs/dbraw/zinc/27/64/23/355276423.db2.gz DJXFBMCATKQGOZ-UHFFFAOYSA-N 0 0 244.136 2.273 10 0 BEAERN OCC[C@@H](NO)c1c(Cl)cccc1Cl ZINC000308377677 355385437 /nfs/dbraw/zinc/38/54/37/355385437.db2.gz OSIJMADMBTZHPB-MRVPVSSYSA-N 0 0 236.098 2.396 10 0 BEAERN OCc1cc(OC2CCC2)ncc1Cl ZINC000166511864 355663774 /nfs/dbraw/zinc/66/37/74/355663774.db2.gz RPSUCFDYRZPEAY-UHFFFAOYSA-N 0 0 213.664 2.159 10 0 BEAERN CCCCNC(=O)C[C@H](C)c1cccnc1 ZINC000062618060 535286806 /nfs/dbraw/zinc/28/68/06/535286806.db2.gz IXAYARVSLMHHIH-NSHDSACASA-N 0 0 220.316 2.492 10 0 BEAERN O=C(c1ccc(F)cc1)N1C[C@H]2CCC[C@H]21 ZINC000335871510 355637934 /nfs/dbraw/zinc/63/79/34/355637934.db2.gz BORAPCAHSFBJGA-ZYHUDNBSSA-N 0 0 219.259 2.450 10 0 BEAERN O=C(c1ccccc1)N1C[C@H]2CCC[C@H]21 ZINC000335871915 355638842 /nfs/dbraw/zinc/63/88/42/355638842.db2.gz OZVHWOBDWLSAEC-VXGBXAGGSA-N 0 0 201.269 2.311 10 0 BEAERN O=C(c1cccs1)N1C[C@@H]2CCC[C@H]21 ZINC000335872016 355638887 /nfs/dbraw/zinc/63/88/87/355638887.db2.gz YZEYZSKHYMJINW-DTWKUNHWSA-N 0 0 207.298 2.373 10 0 BEAERN NC1=NC(=O)SC1=Cc1ccccc1 ZINC000035576016 181206935 /nfs/dbraw/zinc/20/69/35/181206935.db2.gz BLDBPHNIFZMVEZ-SOFGYWHQSA-N 0 0 204.254 2.461 10 0 BEAERN Cc1noc(C)c1CNc1nccnc1C(C)C ZINC000350473112 355710347 /nfs/dbraw/zinc/71/03/47/355710347.db2.gz FKQIMCUOQMNVBF-UHFFFAOYSA-N 0 0 246.314 2.239 10 0 BEAERN O[C@H]1CCCC[C@H]1n1nccc1Br ZINC000137313807 355684574 /nfs/dbraw/zinc/68/45/74/355684574.db2.gz NCHMPDNXOXRSMX-SFYZADRCSA-N 0 0 245.120 2.122 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2CCC[C@H]21 ZINC000350699547 355743541 /nfs/dbraw/zinc/74/35/41/355743541.db2.gz HKZXBZUZXBNHAA-OUAUKWLOSA-N 0 0 225.332 2.201 10 0 BEAERN N=C1SCCN1C(=O)Nc1ccccc1 ZINC000142477935 181207759 /nfs/dbraw/zinc/20/77/59/181207759.db2.gz OKIYKKFDBIPAOB-UHFFFAOYSA-N 0 0 221.285 2.202 10 0 BEAERN CN(c1nnc(Br)s1)C1CCC1 ZINC000129638760 355763212 /nfs/dbraw/zinc/76/32/12/355763212.db2.gz XCJGKKISXIHBKI-UHFFFAOYSA-N 0 0 248.149 2.289 10 0 BEAERN FC(F)C(F)(F)c1nc(Br)no1 ZINC000129639829 355763458 /nfs/dbraw/zinc/76/34/58/355763458.db2.gz ZAAAZFSZVBTHBG-UHFFFAOYSA-N 0 0 248.961 2.189 10 0 BEAERN NC(=O)/C=C1\CCc2c1cccc2Cl ZINC000003823422 181211565 /nfs/dbraw/zinc/21/15/65/181211565.db2.gz OYDMTBZFMQCZCK-VOTSOKGWSA-N 0 0 207.660 2.155 10 0 BEAERN CC[C@H](O)CNc1cccc(F)c1F ZINC000040230494 355814677 /nfs/dbraw/zinc/81/46/77/355814677.db2.gz PISRZTORKYKICQ-ZETCQYMHSA-N 0 0 201.216 2.148 10 0 BEAERN CCn1nccc1-c1nc(C)cc(Cl)n1 ZINC000160288575 355848555 /nfs/dbraw/zinc/84/85/55/355848555.db2.gz RVGMTLJIACBUJW-UHFFFAOYSA-N 0 0 222.679 2.322 10 0 BEAERN CC(C)[C@H](C)Nc1ncnc2ncccc21 ZINC000163042850 191867170 /nfs/dbraw/zinc/86/71/70/191867170.db2.gz LLJLLKMYSNRHEE-VIFPVBQESA-N 0 0 216.288 2.481 10 0 BEAERN Cc1ccsc1[C@@H](O)Cc1ncc[nH]1 ZINC000040261602 355913872 /nfs/dbraw/zinc/91/38/72/355913872.db2.gz LZVYDQXDLPSBAR-QMMMGPOBSA-N 0 0 208.286 2.056 10 0 BEAERN NC(=O)CNc1ccccc1Cc1ccccc1 ZINC000020048536 181237180 /nfs/dbraw/zinc/23/71/80/181237180.db2.gz KWWDULCACLVRLB-UHFFFAOYSA-N 0 0 240.306 2.175 10 0 BEAERN CC[C@H](C)NC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000351721843 356071260 /nfs/dbraw/zinc/07/12/60/356071260.db2.gz IICVFJLQOWPFMO-CBAPKCEASA-N 0 0 225.292 2.142 10 0 BEAERN NC(=O)Cc1ccccc1NC1CCCC1 ZINC000037124955 181247084 /nfs/dbraw/zinc/24/70/84/181247084.db2.gz RAHFKBYCUOJXPT-UHFFFAOYSA-N 0 0 218.300 2.069 10 0 BEAERN NC(=O)N(O)[C@@H]1COc2c1ccc1ccccc21 ZINC000013760603 181249232 /nfs/dbraw/zinc/24/92/32/181249232.db2.gz RZIXULQOGAETTQ-LLVKDONJSA-N 0 0 244.250 2.043 10 0 BEAERN NC(=O)N(O)c1ccc(Cl)c(Cl)c1 ZINC000022114268 181249241 /nfs/dbraw/zinc/24/92/41/181249241.db2.gz YZYLGSPKGIALHZ-UHFFFAOYSA-N 0 0 221.043 2.268 10 0 BEAERN CC(C)CS(=O)(=O)N[C@@H]1CCC12CCCC2 ZINC000336111378 134086701 /nfs/dbraw/zinc/08/67/01/134086701.db2.gz SMQNYMHMNDDDET-LLVKDONJSA-N 0 0 245.388 2.285 10 0 BEAERN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CCO1 ZINC000123585626 358504016 /nfs/dbraw/zinc/50/40/16/358504016.db2.gz KUTSJEFPUMNQLA-WDEREUQCSA-N 0 0 249.310 2.021 10 0 BEAERN C=CCN(CC=C)c1ccnc(Cl)n1 ZINC000145589883 356482025 /nfs/dbraw/zinc/48/20/25/356482025.db2.gz YGEXYJFHBOWQRD-UHFFFAOYSA-N 0 0 209.680 2.308 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)[C@@H]1CC=CCC1 ZINC000037941941 181278207 /nfs/dbraw/zinc/27/82/07/181278207.db2.gz ZOWNLGIGTYYSCC-DGCLKSJQSA-N 0 0 230.311 2.309 10 0 BEAERN CC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000009246048 166443134 /nfs/dbraw/zinc/44/31/34/166443134.db2.gz QPWUROUIWFANNL-GFCCVEGCSA-N 0 0 221.300 2.487 10 0 BEAERN CCC(F)(F)CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000639678240 356594315 /nfs/dbraw/zinc/59/43/15/356594315.db2.gz XGKSABLJXJHANQ-GARJFASQSA-N 0 0 233.302 2.125 10 0 BEAERN CC(=O)[C@@H]1Cc2cc(Cl)ccc2C(=O)O1 ZINC000125245950 538467245 /nfs/dbraw/zinc/46/72/45/538467245.db2.gz SSROGMJXCROKIY-JTQLQIEISA-N 0 0 224.643 2.011 10 0 BEAERN NC(=O)c1cc(-c2ccccc2)ccc1N ZINC000013686738 181287426 /nfs/dbraw/zinc/28/74/26/181287426.db2.gz KLDLPUIJJYDCEE-UHFFFAOYSA-N 0 0 212.252 2.035 10 0 in-vivo BEAERN NC(=O)c1cc(-c2ccc(O)cn2)ccc1Cl ZINC000065356051 181287729 /nfs/dbraw/zinc/28/77/29/181287729.db2.gz FYEKNXKDPQHAJW-UHFFFAOYSA-N 0 0 248.669 2.207 10 0 BEAERN O=Cc1cncc(-c2cccnc2F)c1 ZINC000675057695 538480268 /nfs/dbraw/zinc/48/02/68/538480268.db2.gz IUPWEULHBSLORJ-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN OC[C@H]1CC[C@@H](c2cccc(F)c2)CO1 ZINC000675058406 538481237 /nfs/dbraw/zinc/48/12/37/538481237.db2.gz DJECXFGIOARMHO-ZYHUDNBSSA-N 0 0 210.248 2.081 10 0 BEAERN COc1nscc1-c1cncc(N)c1C ZINC000675059293 538482848 /nfs/dbraw/zinc/48/28/48/538482848.db2.gz NAPWAWPLTGTRLP-UHFFFAOYSA-N 0 0 221.285 2.104 10 0 BEAERN Cc1cc(Br)cn2c(Cl)nnc12 ZINC000675068487 538496828 /nfs/dbraw/zinc/49/68/28/538496828.db2.gz YUPZNGIFPCPVNY-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN COC(=O)[C@@H](C)c1cc(=O)[nH]c2c(F)cccc12 ZINC000675068689 538496875 /nfs/dbraw/zinc/49/68/75/538496875.db2.gz RQZUAWCXDMGVKS-ZETCQYMHSA-N 0 0 249.241 2.356 10 0 BEAERN CCCCO[C@@H](C)C(=O)N[C@H](C)C(C)C ZINC000123897504 358509108 /nfs/dbraw/zinc/50/91/08/358509108.db2.gz HDVIYUVGJBQCJE-MNOVXSKESA-N 0 0 215.337 2.352 10 0 BEAERN CCC[C@@H]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000083438250 538499273 /nfs/dbraw/zinc/49/92/73/538499273.db2.gz PUFBSPZUCPKIRH-ZJUUUORDSA-N 0 0 219.350 2.024 10 0 BEAERN Cc1cc(-c2cn(C)nc2C(C)C)cc(N)n1 ZINC000675070318 538500731 /nfs/dbraw/zinc/50/07/31/538500731.db2.gz OHXVFTKORDLJOU-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN Cn1ncc(N)c1-c1ccc(C(F)(F)F)cn1 ZINC000675070832 538500861 /nfs/dbraw/zinc/50/08/61/538500861.db2.gz TXSHPFWQMHGSJB-UHFFFAOYSA-N 0 0 242.204 2.083 10 0 BEAERN Cn1ncc(N)c1-c1cc(C(F)(F)F)ccn1 ZINC000675070306 538500992 /nfs/dbraw/zinc/50/09/92/538500992.db2.gz NZLAFRTZAXRQNE-UHFFFAOYSA-N 0 0 242.204 2.083 10 0 BEAERN Cn1ncc(N)c1-c1cc(F)c(F)c(F)c1 ZINC000675070623 538501211 /nfs/dbraw/zinc/50/12/11/538501211.db2.gz QTHILMBJODAAIP-UHFFFAOYSA-N 0 0 227.189 2.087 10 0 BEAERN Cc1cc(-c2c(N)cnn2C)cnc1Cl ZINC000675071041 538501594 /nfs/dbraw/zinc/50/15/94/538501594.db2.gz WAPJZGXRYJADMH-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN Fc1ccnc(F)c1-c1cnn2cccnc12 ZINC000675073082 538504997 /nfs/dbraw/zinc/50/49/97/538504997.db2.gz QQACGQVEAYTSHC-UHFFFAOYSA-N 0 0 232.193 2.070 10 0 BEAERN NC(=O)c1cc(-c2ccccc2F)sc1N ZINC000140084744 181288015 /nfs/dbraw/zinc/28/80/15/181288015.db2.gz DWUVPXNRZKQAHM-UHFFFAOYSA-N 0 0 236.271 2.235 10 0 BEAERN CCCC(=O)[C@@H]1Cc2cc(OC)ccc2O1 ZINC000675080406 538520023 /nfs/dbraw/zinc/52/00/23/538520023.db2.gz DJCXAWVAYWUMJJ-ZDUSSCGKSA-N 0 0 220.268 2.368 10 0 BEAERN CC(C)C(=O)[C@@H]1Cc2ccc(F)cc2O1 ZINC000675081332 538521530 /nfs/dbraw/zinc/52/15/30/538521530.db2.gz RDTXXCVEORAMAO-NSHDSACASA-N 0 0 208.232 2.354 10 0 BEAERN CCCC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000675081157 538521672 /nfs/dbraw/zinc/52/16/72/538521672.db2.gz KCTKJCGRLSHAOA-LBPRGKRZSA-N 0 0 208.232 2.498 10 0 BEAERN CC(C)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000675081582 538522256 /nfs/dbraw/zinc/52/22/56/538522256.db2.gz UIRNXSLXDOOCGT-JTQLQIEISA-N 0 0 208.232 2.354 10 0 BEAERN COC(=O)[C@H]1O[C@]12CCCC(C)(C)CC2 ZINC000084324165 538530743 /nfs/dbraw/zinc/53/07/43/538530743.db2.gz HRVADCAOCIVARP-SKDRFNHKSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@H](CCO)SCC(=O)c1ccccc1 ZINC000085146398 538535842 /nfs/dbraw/zinc/53/58/42/538535842.db2.gz BUJDYXCCKBPREQ-SNVBAGLBSA-N 0 0 224.325 2.373 10 0 BEAERN CCOC(=O)[C@H]1O[C@]12CCCCC2(C)C ZINC000086849309 538560828 /nfs/dbraw/zinc/56/08/28/538560828.db2.gz KGBRSDVARKQQIR-BXKDBHETSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCCC(C)(C)C2 ZINC000085657828 538544788 /nfs/dbraw/zinc/54/47/88/538544788.db2.gz OJWMMIVGYDUMJH-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@H]1CCCC[C@@]12O[C@]2(C)C(=O)OC ZINC000085658090 538545358 /nfs/dbraw/zinc/54/53/58/538545358.db2.gz ZSCWFKBMKAYWGJ-YUSALJHKSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cccc(C(=O)CSC2COC2)c1 ZINC000086195452 538551600 /nfs/dbraw/zinc/55/16/00/538551600.db2.gz KDYXJUXQWDXJFK-UHFFFAOYSA-N 0 0 222.309 2.310 10 0 BEAERN O=Cc1ccccc1-c1nnc(C2CC2)o1 ZINC000675082606 538523616 /nfs/dbraw/zinc/52/36/16/538523616.db2.gz PXYDZNMOUWGEID-UHFFFAOYSA-N 0 0 214.224 2.427 10 0 BEAERN CCOC(=O)[C@H]1O[C@]12CCCC(C)(C)C2 ZINC000084324512 538530410 /nfs/dbraw/zinc/53/04/10/538530410.db2.gz WSCLKDIWUDBUPB-SKDRFNHKSA-N 0 0 212.289 2.287 10 0 BEAERN O=C([O-])[C@H]1CCCC[N@@H+]1C1CCCCC1 ZINC000035299407 356713171 /nfs/dbraw/zinc/71/31/71/356713171.db2.gz KXKWMNBEEDWXCL-LLVKDONJSA-N 0 0 211.305 2.258 10 0 BEAERN CCOC(=O)c1noc([C@H]2CCC[C@H]2C)n1 ZINC000226696441 538613528 /nfs/dbraw/zinc/61/35/28/538613528.db2.gz UUUHJSMQNGBSJD-SFYZADRCSA-N 0 0 224.260 2.150 10 0 BEAERN Cc1nn(Cc2cccc(Cl)c2)cc1N ZINC000135782307 538615686 /nfs/dbraw/zinc/61/56/86/538615686.db2.gz ACXNEOVFROPVRB-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CN(C)c1cccc(C(F)(F)F)c1N ZINC000214089515 538626698 /nfs/dbraw/zinc/62/66/98/538626698.db2.gz MZHPBBUHNKEQHF-UHFFFAOYSA-N 0 0 204.195 2.354 10 0 BEAERN CCN(CC)C(=O)N1CC[C@H](C(C)C)C1 ZINC000130361154 325045184 /nfs/dbraw/zinc/04/51/84/325045184.db2.gz PSNOZZUGBYOELV-NSHDSACASA-N 0 0 212.337 2.426 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)CCCCO ZINC000126399414 538697080 /nfs/dbraw/zinc/69/70/80/538697080.db2.gz XYGATERKTBMNHY-LBPRGKRZSA-N 0 0 227.348 2.330 10 0 BEAERN Cc1c(CNc2ccc3c(c2)COC3)cnn1C ZINC000155592967 538723449 /nfs/dbraw/zinc/72/34/49/538723449.db2.gz UBNNBDDAGXZTRU-UHFFFAOYSA-N 0 0 243.310 2.371 10 0 BEAERN Cc1occc1-c1nc(C)cc(C=O)n1 ZINC000160439636 356973823 /nfs/dbraw/zinc/97/38/23/356973823.db2.gz IRXFKINWFANNSI-UHFFFAOYSA-N 0 0 202.213 2.166 10 0 BEAERN CC[C@H](C)Nc1cc(Br)ncn1 ZINC000160520135 357030615 /nfs/dbraw/zinc/03/06/15/357030615.db2.gz RXNCHLUZDLXJPS-LURJTMIESA-N 0 0 230.109 2.450 10 0 BEAERN Cc1ccc(CCC(=O)Nc2ncccn2)cc1 ZINC000021212176 357034526 /nfs/dbraw/zinc/03/45/26/357034526.db2.gz KMMNLZWLROGQEE-UHFFFAOYSA-N 0 0 241.294 2.356 10 0 BEAERN C=CS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000035322401 357069995 /nfs/dbraw/zinc/06/99/95/357069995.db2.gz AFEHGAQNBATJTE-UHFFFAOYSA-N 0 0 237.202 2.018 10 0 BEAERN Nc1nc(=S)[nH]cc1-c1ccccc1 ZINC000026465640 357137443 /nfs/dbraw/zinc/13/74/43/357137443.db2.gz CKRFMKOZGYFGBQ-UHFFFAOYSA-N 0 0 203.270 2.388 10 0 BEAERN C[C@H](O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000160636713 357150632 /nfs/dbraw/zinc/15/06/32/357150632.db2.gz RURHIDHZCARLSR-VKHMYHEASA-N 0 0 232.070 2.318 10 0 BEAERN Cc1nnc(Sc2ccc(C=O)s2)o1 ZINC000160633368 357150658 /nfs/dbraw/zinc/15/06/58/357150658.db2.gz YEDPELLCTKHRLA-UHFFFAOYSA-N 0 0 226.282 2.403 10 0 BEAERN COc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000160637681 357151355 /nfs/dbraw/zinc/15/13/55/357151355.db2.gz LAKGTILGXSMXOY-UHFFFAOYSA-N 0 0 218.043 2.273 10 0 BEAERN CC(C)(C)c1nnsc1C(=O)C1CC1 ZINC000160649872 357156476 /nfs/dbraw/zinc/15/64/76/357156476.db2.gz LZOYDDJNJJVCCH-UHFFFAOYSA-N 0 0 210.302 2.428 10 0 BEAERN CC(C)C[C@@H]1CNc2cc(N)ccc2O1 ZINC000026509573 357161959 /nfs/dbraw/zinc/16/19/59/357161959.db2.gz HYKIXVPCJBLGPC-SNVBAGLBSA-N 0 0 206.289 2.488 10 0 BEAERN C[C@@H]1CCN(c2cc(Br)ncn2)C1 ZINC000160604064 357120744 /nfs/dbraw/zinc/12/07/44/357120744.db2.gz RPSZKGHBUIRXKO-SSDOTTSWSA-N 0 0 242.120 2.085 10 0 BEAERN O=C(CC1CCOCC1)c1ccccn1 ZINC000053763846 357171472 /nfs/dbraw/zinc/17/14/72/357171472.db2.gz HUSSJJYQDMQJTC-UHFFFAOYSA-N 0 0 205.257 2.081 10 0 BEAERN CCC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000259359431 538812022 /nfs/dbraw/zinc/81/20/22/538812022.db2.gz QAUNKQCTXNGORR-UHFFFAOYSA-N 0 0 227.304 2.365 10 0 BEAERN Cc1ccsc1C(=O)Cc1ncc[nH]1 ZINC000035369693 357199951 /nfs/dbraw/zinc/19/99/51/357199951.db2.gz YOPBGICBAPBQFP-UHFFFAOYSA-N 0 0 206.270 2.205 10 0 BEAERN Cc1ccc(C(=O)Cc2ncc[nH]2)s1 ZINC000035369694 357200002 /nfs/dbraw/zinc/20/00/02/357200002.db2.gz VKWWCHPPSUHNER-UHFFFAOYSA-N 0 0 206.270 2.205 10 0 BEAERN CC(C)[C@@H]1CCN(C(=S)NC2CC2)C1 ZINC000130075197 357175270 /nfs/dbraw/zinc/17/52/70/357175270.db2.gz FQDBASCPIJGYRP-SECBINFHSA-N 0 0 212.362 2.001 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC(C)(C)C[C@H]2C ZINC000300063169 357183042 /nfs/dbraw/zinc/18/30/42/357183042.db2.gz RSTCJNSGRSMXSO-GGVZMXCHSA-N 0 0 232.707 2.320 10 0 BEAERN C[C@H](CO)[C@H](C)NC(=O)CC1CCCCCC1 ZINC000131371494 325143884 /nfs/dbraw/zinc/14/38/84/325143884.db2.gz QQDBUHNEDHBZPS-NEPJUHHUSA-N 0 0 241.375 2.480 10 0 BEAERN CCOC(=O)[C@@H]1[C@H]2C[C@H]2CN1Cc1ccccc1 ZINC000259993705 538834608 /nfs/dbraw/zinc/83/46/08/538834608.db2.gz FRIRBQGQUNHTKU-IHRRRGAJSA-N 0 0 245.322 2.070 10 0 BEAERN C[N@H+](CCC(=O)[O-])C[C@@H]1CCCCC1(F)F ZINC000394570248 357360364 /nfs/dbraw/zinc/36/03/64/357360364.db2.gz RJBSYGJDROMYOD-VIFPVBQESA-N 0 0 235.274 2.218 10 0 BEAERN C[C@@H]1Oc2cc(Br)c(F)cc2[C@@H]1O ZINC000137741429 357389909 /nfs/dbraw/zinc/38/99/09/357389909.db2.gz JCDLGGFARTYXRS-AJAUBTJJSA-N 0 0 247.063 2.403 10 0 BEAERN CC(C)n1ccnc1CS[C@H](C)CCO ZINC000610286866 357468391 /nfs/dbraw/zinc/46/83/91/357468391.db2.gz DDARFZMSZKLDLW-SNVBAGLBSA-N 0 0 228.361 2.468 10 0 BEAERN CSC1(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000188710098 357565860 /nfs/dbraw/zinc/56/58/60/357565860.db2.gz ZVMRIUZFOMSBMS-SNVBAGLBSA-N 0 0 249.335 2.132 10 0 BEAERN Cc1cnc([C@H](C)NCc2cncc(F)c2)o1 ZINC000230955275 357586210 /nfs/dbraw/zinc/58/62/10/357586210.db2.gz RNYYNAIAUACNRG-VIFPVBQESA-N 0 0 235.262 2.368 10 0 BEAERN Cc1cscc1-c1nc(N)nc(Cl)n1 ZINC000137353363 538872035 /nfs/dbraw/zinc/87/20/35/538872035.db2.gz NMJAFZQXOGGDEN-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2COc3ccccc32)co1 ZINC000189128311 357616712 /nfs/dbraw/zinc/61/67/12/357616712.db2.gz PZNQVVDNLGHZHK-GFCCVEGCSA-N 0 0 243.262 2.452 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccnc(N(C)C)n1 ZINC000231663939 357618792 /nfs/dbraw/zinc/61/87/92/357618792.db2.gz JKAZSBKQGITOIZ-UWVGGRQHSA-N 0 0 220.320 2.143 10 0 BEAERN CCC[N@H+](C)C1CCC(C)(C(=O)[O-])CC1 ZINC000685947038 538888992 /nfs/dbraw/zinc/88/89/92/538888992.db2.gz IAQUHKYDTPROAD-UHFFFAOYSA-N 0 0 213.321 2.362 10 0 BEAERN CC[NH+]1CCC(CCCCC(=O)[O-])CC1 ZINC000685947849 538889645 /nfs/dbraw/zinc/88/96/45/538889645.db2.gz RWNFJKJNQPJHTG-UHFFFAOYSA-N 0 0 213.321 2.363 10 0 BEAERN C[C@H](C1CC1)C1N=NC(=S)N1CC(F)F ZINC000685949604 538892829 /nfs/dbraw/zinc/89/28/29/538892829.db2.gz CYOBNXXQGGLGLB-RXMQYKEDSA-N 0 0 233.287 2.345 10 0 BEAERN CC1(C)CCC[C@H]([C@H]2C[NH2+]C[C@H]2C(=O)[O-])C1 ZINC000685949697 538892987 /nfs/dbraw/zinc/89/29/87/538892987.db2.gz AVANJWWITKURQU-HBNTYKKESA-N 0 0 225.332 2.123 10 0 BEAERN CCCCN1C(=S)N=NC1c1cocn1 ZINC000685949711 538893093 /nfs/dbraw/zinc/89/30/93/538893093.db2.gz IBHUTVCBNCXRGK-UHFFFAOYSA-N 0 0 224.289 2.022 10 0 BEAERN CCc1nc(C(=O)OC(C)(C)C)c(N)s1 ZINC000685950061 538893354 /nfs/dbraw/zinc/89/33/54/538893354.db2.gz GMDRDEXOPDDCAZ-UHFFFAOYSA-N 0 0 228.317 2.243 10 0 BEAERN CCOCCN1C(=S)N=NC1CCC(C)C ZINC000685950122 538893474 /nfs/dbraw/zinc/89/34/74/538893474.db2.gz NVBVMJUFVIPFFN-UHFFFAOYSA-N 0 0 243.376 2.192 10 0 BEAERN FC(F)(F)CN1C(=S)N=NC1c1ccoc1 ZINC000685950234 538893486 /nfs/dbraw/zinc/89/34/86/538893486.db2.gz SSHDOLZWCSBGNP-UHFFFAOYSA-N 0 0 249.217 2.389 10 0 BEAERN CCOCCN1C(=S)N=NC1[C@H](C)C1CC1 ZINC000685950262 538893488 /nfs/dbraw/zinc/89/34/88/538893488.db2.gz VIFHEXSQFRUISK-MRVPVSSYSA-N 0 0 241.360 2.117 10 0 BEAERN CCC1(C)CC[NH+](C[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000685950820 538894793 /nfs/dbraw/zinc/89/47/93/538894793.db2.gz ZODMFFZMAZNXFY-QWRGUYRKSA-N 0 0 225.332 2.219 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190071794 357681973 /nfs/dbraw/zinc/68/19/73/357681973.db2.gz HDPFSSJNOOYKMG-NNYUYHANSA-N 0 0 227.348 2.352 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000190275362 357698337 /nfs/dbraw/zinc/69/83/37/357698337.db2.gz DQBFMSSVWIXNOB-IJLUTSLNSA-N 0 0 225.332 2.060 10 0 BEAERN CCCN(CCC)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190304049 357699910 /nfs/dbraw/zinc/69/99/10/357699910.db2.gz VMMKKWZAQVFWQV-NWDGAFQWSA-N 0 0 227.348 2.450 10 0 BEAERN CCCCN(CC)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190435690 357707789 /nfs/dbraw/zinc/70/77/89/357707789.db2.gz GMMFQFPDFXHSKO-NWDGAFQWSA-N 0 0 227.348 2.450 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@H]1CCCO[C@H]1C ZINC000190798299 357731974 /nfs/dbraw/zinc/73/19/74/357731974.db2.gz RWRGIOAJTJPOKK-UWVGGRQHSA-N 0 0 249.301 2.305 10 0 BEAERN CCc1cc(O)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000191081913 357748325 /nfs/dbraw/zinc/74/83/25/357748325.db2.gz DKOQZBQLZSVLJF-ZANVPECISA-N 0 0 249.310 2.461 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)C1CCCC1 ZINC000191804526 357798071 /nfs/dbraw/zinc/79/80/71/357798071.db2.gz IVUYQUSRXMMGFW-LOWVWBTDSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000191689370 357799493 /nfs/dbraw/zinc/79/94/93/357799493.db2.gz QLZSUYBWFMMDPL-JOYOIKCWSA-N 0 0 237.343 2.106 10 0 BEAERN CC[C@H]1CCN(C(=O)c2ccc(COC)o2)C1 ZINC000132964069 325257233 /nfs/dbraw/zinc/25/72/33/325257233.db2.gz APDGOSHASAUIED-JTQLQIEISA-N 0 0 237.299 2.298 10 0 BEAERN O[C@H]1CCCC[C@@H]1n1nccc1-c1cccnc1 ZINC000193094817 357866954 /nfs/dbraw/zinc/86/69/54/357866954.db2.gz QBZSSCUKROELJR-KBPBESRZSA-N 0 0 243.310 2.421 10 0 BEAERN O=C1NCCCC[C@@H]1N1CCCc2ccccc21 ZINC000193142829 357875816 /nfs/dbraw/zinc/87/58/16/357875816.db2.gz CRHAKABKTMDFKM-AWEZNQCLSA-N 0 0 244.338 2.108 10 0 BEAERN O=Cc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000168916960 357994300 /nfs/dbraw/zinc/99/43/00/357994300.db2.gz PWZFFASVTUPANB-UHFFFAOYSA-N 0 0 223.235 2.437 10 0 BEAERN CCc1sc(C(=O)OC)cc1-c1cn[nH]c1 ZINC000168978222 358002636 /nfs/dbraw/zinc/00/26/36/358002636.db2.gz UGEXYZPRVDEKIO-UHFFFAOYSA-N 0 0 236.296 2.487 10 0 BEAERN COC[C@H](C)C(=O)N1CCc2c1cccc2C ZINC000103388031 358050977 /nfs/dbraw/zinc/05/09/77/358050977.db2.gz CYHOMRATZQEEAR-NSHDSACASA-N 0 0 233.311 2.167 10 0 BEAERN CCC(CC)NC(=O)N(C)[C@H]1CCSC1 ZINC000133773690 325318169 /nfs/dbraw/zinc/31/81/69/325318169.db2.gz CPZWRHHHJYLZDW-JTQLQIEISA-N 0 0 230.377 2.322 10 0 BEAERN OC[C@@H]1CCN(c2nccc3sccc32)C1 ZINC000051886462 358090133 /nfs/dbraw/zinc/09/01/33/358090133.db2.gz LWTVDINZESWALS-SECBINFHSA-N 0 0 234.324 2.115 10 0 BEAERN CC[S@](=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000584597424 358111837 /nfs/dbraw/zinc/11/18/37/358111837.db2.gz OVOPASJFOIAGCB-HNNXBMFYSA-N 0 0 246.715 2.254 10 0 BEAERN C[C@H]1CSC[C@]1(O)c1ccccc1F ZINC000307518685 491123174 /nfs/dbraw/zinc/12/31/74/491123174.db2.gz VKLJMCKHZKJNMB-GZMMTYOYSA-N 0 0 212.289 2.396 10 0 BEAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)C(C)C ZINC000171579758 134259335 /nfs/dbraw/zinc/25/93/35/134259335.db2.gz URNRKXNJVJTLTG-NEPJUHHUSA-N 0 0 242.363 2.241 10 0 BEAERN Cc1ccc(Cl)cc1N1CCNC1=O ZINC000169069595 358179847 /nfs/dbraw/zinc/17/98/47/358179847.db2.gz BZUMMPCGOPDFKY-UHFFFAOYSA-N 0 0 210.664 2.178 10 0 BEAERN Cc1[nH]c(C)c2c1C(C)(C)C[C@]2(C)C(N)=O ZINC000039215382 358219381 /nfs/dbraw/zinc/21/93/81/358219381.db2.gz QCVBBDSNTPQCJO-ZDUSSCGKSA-N 0 0 220.316 2.056 10 0 BEAERN Nc1ccc(O)c(C(=O)OCc2ccccc2)c1 ZINC000040431417 358235690 /nfs/dbraw/zinc/23/56/90/358235690.db2.gz NLDPSDRDSSWPHQ-UHFFFAOYSA-N 0 0 243.262 2.331 10 0 BEAERN OCc1cnc(OCC2CC2)c(Cl)c1 ZINC000040884025 358247632 /nfs/dbraw/zinc/24/76/32/358247632.db2.gz IXPRBEXOLDYEOU-UHFFFAOYSA-N 0 0 213.664 2.016 10 0 BEAERN Cc1csc(C2=NNC(=O)[C@@H]3C=CC=C[C@H]23)c1 ZINC000584612853 358276263 /nfs/dbraw/zinc/27/62/63/358276263.db2.gz OLIQCIVIDJGJQZ-VHSXEESVSA-N 0 0 244.319 2.249 10 0 BEAERN O=C1NN=C(c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000584612722 358276457 /nfs/dbraw/zinc/27/64/57/358276457.db2.gz BFXQAJJEPCWXHB-NEPJUHHUSA-N 0 0 228.295 2.327 10 0 BEAERN CC(=O)O[C@@H](C(C)=O)c1ccccc1F ZINC000584613023 358277040 /nfs/dbraw/zinc/27/70/40/358277040.db2.gz KMDFYBRGJYPXAO-NSHDSACASA-N 0 0 210.204 2.019 10 0 BEAERN C[C@@H]1CCC(=O)N1Cc1ccc(F)cc1 ZINC000584613385 358277732 /nfs/dbraw/zinc/27/77/32/358277732.db2.gz HCLXRABHPFIGJP-SECBINFHSA-N 0 0 207.248 2.337 10 0 BEAERN CCOC(=O)/C=C1\OC(=O)c2ccc(C)cc21 ZINC000584591279 358249551 /nfs/dbraw/zinc/24/95/51/358249551.db2.gz CSFSLQRXEQBOKD-XFFZJAGNSA-N 0 0 232.235 2.069 10 0 BEAERN COc1ccc(CCCCN2CC2)cc1 ZINC000584591780 358250224 /nfs/dbraw/zinc/25/02/24/358250224.db2.gz JZAGWIQAZCDVDB-UHFFFAOYSA-N 0 0 205.301 2.334 10 0 BEAERN CCOC(=O)Cc1ccc([Si](C)(C)C)cc1 ZINC000584595282 358252731 /nfs/dbraw/zinc/25/27/31/358252731.db2.gz HZHHUHIAHMOLGP-UHFFFAOYSA-N 0 0 236.387 2.337 10 0 BEAERN CO/C=C\c1ccncc1Br ZINC000584631039 358255813 /nfs/dbraw/zinc/25/58/13/358255813.db2.gz MQPADSMNNCAYRR-HYXAFXHYSA-N 0 0 214.062 2.461 10 0 BEAERN CCOC(=O)[C@@H]1[C@H](C)CC(=O)[C@H](CC)[C@H]1C ZINC000584600659 358257023 /nfs/dbraw/zinc/25/70/23/358257023.db2.gz SSSQHXJPGVBRGK-DNRKLUKYSA-N 0 0 226.316 2.437 10 0 BEAERN COc1cc(OC)c([C@H]2CCC2=O)cc1OC ZINC000584600683 358257564 /nfs/dbraw/zinc/25/75/64/358257564.db2.gz WULQRBTZFCNNDE-MRVPVSSYSA-N 0 0 236.267 2.159 10 0 BEAERN OC[C@@H]1C[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C1 ZINC000584601343 358258228 /nfs/dbraw/zinc/25/82/28/358258228.db2.gz DWZURVYPTKXJTF-ZZVYKPCYSA-N 0 0 234.295 2.119 10 0 BEAERN COP(=O)(OC)[C@@H](O)c1cccs1 ZINC000584602325 358259955 /nfs/dbraw/zinc/25/99/55/358259955.db2.gz CZOUWVARMKCFLI-SSDOTTSWSA-N 0 0 222.202 2.225 10 0 BEAERN COP(=O)(OC)[C@@](C)(O)c1cccs1 ZINC000584602758 358260644 /nfs/dbraw/zinc/26/06/44/358260644.db2.gz VUNMCJNPFFZYOV-MRVPVSSYSA-N 0 0 236.229 2.399 10 0 BEAERN CCOC(=O)/C=C(\F)Oc1ccccc1 ZINC000584602992 358261393 /nfs/dbraw/zinc/26/13/93/358261393.db2.gz JPSYFFYHSYCYTP-CSKARUKUSA-N 0 0 210.204 2.439 10 0 BEAERN COc1c2c(nn1-c1ccccc1)CCC2 ZINC000584603388 358261986 /nfs/dbraw/zinc/26/19/86/358261986.db2.gz SKDWHNSRCHHPCC-UHFFFAOYSA-N 0 0 214.268 2.370 10 0 BEAERN COc1cc(C[C@H](C)NC=O)ccc1Cl ZINC000584604015 358262377 /nfs/dbraw/zinc/26/23/77/358262377.db2.gz FCPWENSHXVCKSZ-QMMMGPOBSA-N 0 0 227.691 2.026 10 0 BEAERN COc1cccc(C[C@H](C)NC=O)c1Cl ZINC000584604113 358263115 /nfs/dbraw/zinc/26/31/15/358263115.db2.gz NUNLSVYKFIBJHL-QMMMGPOBSA-N 0 0 227.691 2.026 10 0 BEAERN COC(=O)CS[C@@H]1COc2ccccc21 ZINC000584606355 358265108 /nfs/dbraw/zinc/26/51/08/358265108.db2.gz SBFBZSBRBRAEAK-SNVBAGLBSA-N 0 0 224.281 2.026 10 0 BEAERN COc1cc2c(c(OC)c1)C=N[C@H](C)C2 ZINC000584606174 358265449 /nfs/dbraw/zinc/26/54/49/358265449.db2.gz JPBXIDSIUBAUNJ-MRVPVSSYSA-N 0 0 205.257 2.067 10 0 BEAERN O=C(c1ccccc1)N1C[C@H]2CC[C@@H](C1)S2 ZINC000584606291 358265575 /nfs/dbraw/zinc/26/55/75/358265575.db2.gz NEXKCDWBQLTWQA-TXEJJXNPSA-N 0 0 233.336 2.407 10 0 BEAERN OCCCCN1CC2(CC2)c2ccccc21 ZINC000172639356 134266563 /nfs/dbraw/zinc/26/65/63/134266563.db2.gz KSXBMUBZDOCNOH-UHFFFAOYSA-N 0 0 217.312 2.311 10 0 BEAERN C[C@H](O)C[C@@H](O)c1ccccc1Cl ZINC000584607156 358267360 /nfs/dbraw/zinc/26/73/60/358267360.db2.gz AHBMKWKEAYJYDR-OIBJUYFYSA-N 0 0 200.665 2.144 10 0 BEAERN CCOC(CNSc1ccccn1)OCC ZINC000584607919 358268546 /nfs/dbraw/zinc/26/85/46/358268546.db2.gz RXPJVAZURBBRKI-UHFFFAOYSA-N 0 0 242.344 2.077 10 0 BEAERN C/C=C/c1ccccc1NS(C)(=O)=O ZINC000584607935 358268625 /nfs/dbraw/zinc/26/86/25/358268625.db2.gz VFJMUMXEXVNJSQ-ZZXKWVIFSA-N 0 0 211.286 2.091 10 0 BEAERN O=C(OCc1ccccc1)N1CCC[C@@H]1CCO ZINC000079973715 363601724 /nfs/dbraw/zinc/60/17/24/363601724.db2.gz XWPPMGVKGWYFAA-CYBMUJFWSA-N 0 0 249.310 2.170 10 0 BEAERN O=[N+]([O-])/C(=C/C1CCCCC1)CCCO ZINC000584609969 358272087 /nfs/dbraw/zinc/27/20/87/358272087.db2.gz CMNOANFNFSAGQZ-PKNBQFBNSA-N 0 0 213.277 2.500 10 0 BEAERN CNc1ccc(C)cc1/C=C/C(=O)OC ZINC000584610144 358272286 /nfs/dbraw/zinc/27/22/86/358272286.db2.gz LYCIONONZGESCT-FNORWQNLSA-N 0 0 205.257 2.223 10 0 BEAERN CC(C)[C@H](CO)C1SCCCS1 ZINC000584610354 358273101 /nfs/dbraw/zinc/27/31/01/358273101.db2.gz XGLPFVYYVJSIND-QMMMGPOBSA-N 0 0 206.376 2.447 10 0 BEAERN CCOC(=O)/C=C/Oc1ccc(OC)cc1 ZINC000584610257 358273350 /nfs/dbraw/zinc/27/33/50/358273350.db2.gz UPPWLOPFXDTHOA-CMDGGOBGSA-N 0 0 222.240 2.151 10 0 BEAERN CCN(N=O)c1ccccc1/C=C/C(=O)OC ZINC000584610232 358273409 /nfs/dbraw/zinc/27/34/09/358273409.db2.gz PZXUFBWOCQWFQS-CMDGGOBGSA-N 0 0 234.255 2.381 10 0 BEAERN CCC1=N[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000584610933 358274620 /nfs/dbraw/zinc/27/46/20/358274620.db2.gz JOVVBBPPSNZVKP-QMMMGPOBSA-N 0 0 212.293 2.434 10 0 BEAERN CCC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H](C)C1 ZINC000584621223 358288676 /nfs/dbraw/zinc/28/86/76/358288676.db2.gz VAJQTQOAMNCXHF-WFASDCNBSA-N 0 0 247.338 2.153 10 0 BEAERN O=C1C[C@@H]([C@H]2CCOC2)c2ccccc2N1 ZINC000584621632 358289371 /nfs/dbraw/zinc/28/93/71/358289371.db2.gz AAAJPACZOCJWEX-ONGXEEELSA-N 0 0 217.268 2.149 10 0 BEAERN CCOC(=O)/C(C)=C(/C)NC(=O)c1ccccc1 ZINC000584624562 358292456 /nfs/dbraw/zinc/29/24/56/358292456.db2.gz WINFWKVQYVPBOT-KHPPLWFESA-N 0 0 247.294 2.273 10 0 BEAERN CCc1nc2ccsc2c(N2CCOCC2)n1 ZINC000584625287 358294409 /nfs/dbraw/zinc/29/44/09/358294409.db2.gz PPJCNSZHEXGJPV-UHFFFAOYSA-N 0 0 249.339 2.090 10 0 BEAERN COCP1(=O)Oc2ccccc2O1 ZINC000584626584 358295774 /nfs/dbraw/zinc/29/57/74/358295774.db2.gz OGRJWAXKSIWWHN-UHFFFAOYSA-N 0 0 200.130 2.255 10 0 BEAERN Nc1ncc(Cl)nc1-c1cc(C2CC2)no1 ZINC000584628266 358297203 /nfs/dbraw/zinc/29/72/03/358297203.db2.gz HWWVQCMWFCSSGA-UHFFFAOYSA-N 0 0 236.662 2.075 10 0 BEAERN Oc1ccccc1CC[C@H](O)Cc1ccccn1 ZINC000584629457 358298413 /nfs/dbraw/zinc/29/84/13/358298413.db2.gz JMTKVGZRUVPAHL-AWEZNQCLSA-N 0 0 243.306 2.323 10 0 BEAERN FC(F)(F)C(F)(F)CNc1ncccn1 ZINC000584629159 358298428 /nfs/dbraw/zinc/29/84/28/358298428.db2.gz JJAWDZHRMXQFAQ-UHFFFAOYSA-N 0 0 227.136 2.086 10 0 BEAERN CCOc1cc(C(=O)OC)nc2c1CCCC2 ZINC000584630172 358299414 /nfs/dbraw/zinc/29/94/14/358299414.db2.gz LSGHZFIIZPWINW-UHFFFAOYSA-N 0 0 235.283 2.146 10 0 BEAERN CC(C)Sc1cncc(-n2cncn2)c1 ZINC000584630811 358301296 /nfs/dbraw/zinc/30/12/96/358301296.db2.gz NNLYFDMZJPRBJF-UHFFFAOYSA-N 0 0 220.301 2.163 10 0 BEAERN CSc1nnc2c3sccc3ncn12 ZINC000584630846 358301651 /nfs/dbraw/zinc/30/16/51/358301651.db2.gz USQRDVIZQUNLFP-UHFFFAOYSA-N 0 0 222.298 2.061 10 0 BEAERN COC[C@@H](C)Oc1nc(Cl)cc(Cl)n1 ZINC000584648391 358302840 /nfs/dbraw/zinc/30/28/40/358302840.db2.gz HYXRLBFXSPFNPT-RXMQYKEDSA-N 0 0 237.086 2.197 10 0 BEAERN CC(C)O[C@H]1C=CC(Br)=CN1 ZINC000584648351 358302889 /nfs/dbraw/zinc/30/28/89/358302889.db2.gz GOMUATREUIGZSY-QMMMGPOBSA-N 0 0 218.094 2.133 10 0 BEAERN CC(C)Nc1nc2ccncc2nc1Cl ZINC000584648213 358302912 /nfs/dbraw/zinc/30/29/12/358302912.db2.gz BXXKVYFBTKYJBF-UHFFFAOYSA-N 0 0 222.679 2.499 10 0 BEAERN COCc1cc(Br)cnc1C ZINC000584648740 358303230 /nfs/dbraw/zinc/30/32/30/358303230.db2.gz NXMZLORSGKQZQB-UHFFFAOYSA-N 0 0 216.078 2.299 10 0 BEAERN CC(C)c1c(N)cnc2cc(Cl)nn21 ZINC000584648702 358303289 /nfs/dbraw/zinc/30/32/89/358303289.db2.gz LQWKTSACFYEHAU-UHFFFAOYSA-N 0 0 210.668 2.088 10 0 BEAERN COCCOCSc1ccc(OC)cc1 ZINC000584657183 358308763 /nfs/dbraw/zinc/30/87/63/358308763.db2.gz HAJCPYFCXWXKEQ-UHFFFAOYSA-N 0 0 228.313 2.408 10 0 BEAERN CCC[C@@H](OC(C)=O)[C@H](CCC)OC(C)=O ZINC000584657379 358309463 /nfs/dbraw/zinc/30/94/63/358309463.db2.gz MEYQKLYTJNUOKX-TXEJJXNPSA-N 0 0 230.304 2.450 10 0 BEAERN CC(C)([C@@H](O)c1ccccc1)n1ccnc1 ZINC000584616917 358281557 /nfs/dbraw/zinc/28/15/57/358281557.db2.gz QNJYGLHYCGQIMQ-LBPRGKRZSA-N 0 0 216.284 2.352 10 0 BEAERN CC(C)(C)OC(=O)[C@@]1(Cl)CCCCC1=O ZINC000584643607 358328640 /nfs/dbraw/zinc/32/86/40/358328640.db2.gz DCDDYWDVVIRNKM-LLVKDONJSA-N 0 0 232.707 2.449 10 0 BEAERN CC(C)(C)OC(=O)N1CCC2(CC1)N=N2 ZINC000584647274 358331929 /nfs/dbraw/zinc/33/19/29/358331929.db2.gz KSWQVISMOCJORL-UHFFFAOYSA-N 0 0 211.265 2.179 10 0 BEAERN CCCc1cc(C(=O)N(C)C)c(=O)[nH]c1CC ZINC000584632267 358314835 /nfs/dbraw/zinc/31/48/35/358314835.db2.gz ILBQHSYZJFEXOI-UHFFFAOYSA-N 0 0 236.315 2.004 10 0 BEAERN CCCNC(=O)c1cc(Cl)c(CC)[nH]c1=O ZINC000584633013 358316340 /nfs/dbraw/zinc/31/63/40/358316340.db2.gz ULDFUALSGWLXBP-UHFFFAOYSA-N 0 0 242.706 2.143 10 0 BEAERN CCOCc1nc2cc[nH]c2c(Cl)n1 ZINC000584635602 358319256 /nfs/dbraw/zinc/31/92/56/358319256.db2.gz VSYDZZZZHMOKHV-UHFFFAOYSA-N 0 0 211.652 2.148 10 0 BEAERN COc1cccc(S[C@H]2COC(=O)C2)c1 ZINC000584635082 358319647 /nfs/dbraw/zinc/31/96/47/358319647.db2.gz OSGSWXYHZFDZBE-SNVBAGLBSA-N 0 0 224.281 2.103 10 0 BEAERN Cc1cc2c(c(O)c1C)C(=O)OC(C)(C)O2 ZINC000584638590 358323984 /nfs/dbraw/zinc/32/39/84/358323984.db2.gz HWTBPXJFCMMONL-UHFFFAOYSA-N 0 0 222.240 2.294 10 0 BEAERN C[C@H]1C[C@@H](C(=O)NC(C)(C)CO)CC(C)(C)C1 ZINC000180178306 366389228 /nfs/dbraw/zinc/38/92/28/366389228.db2.gz JFRSFAVSKYIOGF-WDEREUQCSA-N 0 0 241.375 2.336 10 0 BEAERN COc1ccc(SC[C@H]2CCCO2)nc1 ZINC000584638904 358324550 /nfs/dbraw/zinc/32/45/50/358324550.db2.gz TXWRUWLKGNSECW-SNVBAGLBSA-N 0 0 225.313 2.361 10 0 BEAERN OCCn1c2ccccc2c2cc(CO)ccc21 ZINC000584641008 358327133 /nfs/dbraw/zinc/32/71/33/358327133.db2.gz FMYMPWUEGGRAMY-UHFFFAOYSA-N 0 0 241.290 2.279 10 0 BEAERN Cc1ncsc1CN[C@@H](C)c1nccnc1C ZINC000219135406 134274510 /nfs/dbraw/zinc/27/45/10/134274510.db2.gz LOFZFWONQXVMBD-JTQLQIEISA-N 0 0 248.355 2.401 10 0 BEAERN COC[C@H](C)C(=O)N1CCC2(CCCC2)C1 ZINC000173745128 134274976 /nfs/dbraw/zinc/27/49/76/134274976.db2.gz BXOXCIXEEBTFQY-NSHDSACASA-N 0 0 225.332 2.062 10 0 BEAERN Cc1ccc(NCC(C)C)cc1S(C)(=O)=O ZINC000134887006 325381104 /nfs/dbraw/zinc/38/11/04/325381104.db2.gz BTHOVJDFIQSAML-UHFFFAOYSA-N 0 0 241.356 2.466 10 0 BEAERN CCCn1c(C)c(C(=O)OCC)c(C)cc1=O ZINC000043672871 358385456 /nfs/dbraw/zinc/38/54/56/358385456.db2.gz SDOVLPNRSSLLEV-UHFFFAOYSA-N 0 0 237.299 2.052 10 0 BEAERN CC(C)(C)OC(=O)c1cncc(Cl)n1 ZINC000228795775 358385479 /nfs/dbraw/zinc/38/54/79/358385479.db2.gz JMXYWHSYIFQUBV-UHFFFAOYSA-N 0 0 214.652 2.085 10 0 BEAERN Cc1[nH]nc(NC(=O)[C@H]2CCC[C@@H]2C)c1C ZINC000230170928 358394450 /nfs/dbraw/zinc/39/44/50/358394450.db2.gz GYXBKKNIALXJTD-XVKPBYJWSA-N 0 0 221.304 2.401 10 0 BEAERN OC[C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC000224104841 358442963 /nfs/dbraw/zinc/44/29/63/358442963.db2.gz ZJXCTMJUCBRULG-GFCCVEGCSA-N 0 0 241.281 2.136 10 0 BEAERN O=c1[nH]nc(-c2ccc(Cl)cc2)s1 ZINC000001754934 358431452 /nfs/dbraw/zinc/43/14/52/358431452.db2.gz FNDPCLSVTANELZ-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN CC[C@@H](O)CCNC(=O)CCc1ccc(C)cc1 ZINC000127590588 358564223 /nfs/dbraw/zinc/56/42/23/358564223.db2.gz OUIZLBWIRFKITD-CQSZACIVSA-N 0 0 249.354 2.205 10 0 BEAERN CCCCCC(=O)N[C@H]1CCCCC[C@@H]1O ZINC000130881384 358651108 /nfs/dbraw/zinc/65/11/08/358651108.db2.gz NHHGHXFPWCRYRU-RYUDHWBXSA-N 0 0 227.348 2.377 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000130897602 358651556 /nfs/dbraw/zinc/65/15/56/358651556.db2.gz GMDXMKITYKIQLY-TUAOUCFPSA-N 0 0 227.348 2.232 10 0 BEAERN CC(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000048749833 358653002 /nfs/dbraw/zinc/65/30/02/358653002.db2.gz OTYQNLKKELCPBM-LBPRGKRZSA-N 0 0 246.354 2.382 10 0 BEAERN CCC[C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000131130075 358661468 /nfs/dbraw/zinc/66/14/68/358661468.db2.gz HWRFOCXDLWWRJV-DCAQKATOSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(CC)SCC(=O)Nc1nc(C)no1 ZINC000131719361 358691705 /nfs/dbraw/zinc/69/17/05/358691705.db2.gz DIPVOPMTCZQQGE-UHFFFAOYSA-N 0 0 243.332 2.238 10 0 BEAERN C[C@@H](CO)[C@@H](C)NC(=O)CCC1CCCCC1 ZINC000133397824 358752711 /nfs/dbraw/zinc/75/27/11/358752711.db2.gz RPCNMNLKYLBVKG-NWDGAFQWSA-N 0 0 241.375 2.480 10 0 BEAERN Cc1csc(SCC2COC2)n1 ZINC000306148955 358758674 /nfs/dbraw/zinc/75/86/74/358758674.db2.gz CUWJNHQZDJOZJU-UHFFFAOYSA-N 0 0 201.316 2.190 10 0 BEAERN Cc1ccc(O)c(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000133562611 358758884 /nfs/dbraw/zinc/75/88/84/358758884.db2.gz JBFRPPZUOYPAJI-AWEZNQCLSA-N 0 0 248.326 2.171 10 0 BEAERN O=C(NCc1cscn1)c1cccc(F)c1 ZINC000050407902 358729347 /nfs/dbraw/zinc/72/93/47/358729347.db2.gz PFWQNORUMSEPTF-UHFFFAOYSA-N 0 0 236.271 2.212 10 0 BEAERN O=C(NCc1cscn1)[C@H]1CC=CCC1 ZINC000050408239 358729361 /nfs/dbraw/zinc/72/93/61/358729361.db2.gz MCJJJXWJWAQLJL-VIFPVBQESA-N 0 0 222.313 2.116 10 0 BEAERN CCOC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000050524680 358733305 /nfs/dbraw/zinc/73/33/05/358733305.db2.gz VIJAYDGPKXWVIJ-SNVBAGLBSA-N 0 0 232.283 2.236 10 0 BEAERN Brc1ccc(Cn2ccnc2)nc1 ZINC000132987267 358741289 /nfs/dbraw/zinc/74/12/89/358741289.db2.gz OKNXQCLCPOVIKB-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN CN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCOC1 ZINC000135121209 358821359 /nfs/dbraw/zinc/82/13/59/358821359.db2.gz RGRHTOOTHHQZPJ-JTQLQIEISA-N 0 0 244.294 2.029 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000052299185 358778201 /nfs/dbraw/zinc/77/82/01/358778201.db2.gz NXWWNXHDDQUSFJ-PRHODGIISA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000134268940 358784833 /nfs/dbraw/zinc/78/48/33/358784833.db2.gz LRKJMZXXLYQNJJ-KOLCDFICSA-N 0 0 244.294 2.075 10 0 BEAERN O=C(c1ccccc1)N1CCC[C@H]1CCCO ZINC000052758558 358791250 /nfs/dbraw/zinc/79/12/50/358791250.db2.gz AFCRLEYGBHYWHP-ZDUSSCGKSA-N 0 0 233.311 2.064 10 0 BEAERN COc1cccc(F)c1[C@@H](C)NCc1cc[nH]n1 ZINC000134773529 358805311 /nfs/dbraw/zinc/80/53/11/358805311.db2.gz GKJLIXXVLMYNND-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN CSCCCC(=O)N[C@@H](C)C1CCOCC1 ZINC000136005154 358860916 /nfs/dbraw/zinc/86/09/16/358860916.db2.gz MXAKSFQAUSUWQT-JTQLQIEISA-N 0 0 245.388 2.061 10 0 BEAERN C[C@@H]1OCC[C@H]1Sc1ccc(C=O)o1 ZINC000300335778 358962548 /nfs/dbraw/zinc/96/25/48/358962548.db2.gz FGQUMRCUMQDPOF-IONNQARKSA-N 0 0 212.270 2.362 10 0 BEAERN C[C@@H]1OCC[C@H]1S[C@H]1CCCC1=O ZINC000300338499 358963284 /nfs/dbraw/zinc/96/32/84/358963284.db2.gz RLFCRTNXRCYYCN-SFGNSQDASA-N 0 0 200.303 2.019 10 0 BEAERN O=c1c(Cl)c(Cl)cnn1C(F)(F)F ZINC000306170067 358978822 /nfs/dbraw/zinc/97/88/22/358978822.db2.gz KLLVCWSTEZCWIO-UHFFFAOYSA-N 0 0 232.976 2.026 10 0 BEAERN CCN(OC)c1ccc(Br)cc1N ZINC000306161311 358966031 /nfs/dbraw/zinc/96/60/31/358966031.db2.gz MUXVDRAGEJYFNH-UHFFFAOYSA-N 0 0 245.120 2.419 10 0 BEAERN Oc1cccc([C@@H]2NCCS2)c1Cl ZINC000306161857 358966729 /nfs/dbraw/zinc/96/67/29/358966729.db2.gz VRCJRBFJFFWAHW-SECBINFHSA-N 0 0 215.705 2.381 10 0 BEAERN C[C@@H](O)[C@H](C)Sc1nc(Cl)ncc1F ZINC000300341683 358967784 /nfs/dbraw/zinc/96/77/84/358967784.db2.gz XBXAFAAKSHMKMN-UHNVWZDZSA-N 0 0 236.699 2.131 10 0 BEAERN Cc1cnc(Cl)nc1S[C@@H](C)[C@@H](C)O ZINC000300341188 358967816 /nfs/dbraw/zinc/96/78/16/358967816.db2.gz SRZLYYYAXBRBDN-RQJHMYQMSA-N 0 0 232.736 2.300 10 0 BEAERN CCOc1ccccc1CCC(=O)NC1CC1 ZINC000060879209 358930288 /nfs/dbraw/zinc/93/02/88/358930288.db2.gz ZFHHCMWZPSRSDQ-UHFFFAOYSA-N 0 0 233.311 2.297 10 0 BEAERN Fc1cc(F)c(F)c(NCCn2cccn2)c1 ZINC000061095719 358932090 /nfs/dbraw/zinc/93/20/90/358932090.db2.gz YVNBTGHBZKQMCO-UHFFFAOYSA-N 0 0 241.216 2.413 10 0 BEAERN Cc1ccc(N)c(C=O)c1Br ZINC000130194722 358936716 /nfs/dbraw/zinc/93/67/16/358936716.db2.gz RBKZEFSSQQLKOT-UHFFFAOYSA-N 0 0 214.062 2.152 10 0 BEAERN CC[C@@H]1OCC[C@@H]1c1nc(Cl)ns1 ZINC000300371328 358977617 /nfs/dbraw/zinc/97/76/17/358977617.db2.gz DXFSGIIZRKJDGJ-WDSKDSINSA-N 0 0 218.709 2.474 10 0 BEAERN Nc1ccc(Br)c(CN2CCC2)c1 ZINC000306158922 358953228 /nfs/dbraw/zinc/95/32/28/358953228.db2.gz KXATUXMPHDGLFA-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN CC[C@@H]1OCC[C@@H]1c1nc(Br)no1 ZINC000300379928 358978358 /nfs/dbraw/zinc/97/83/58/358978358.db2.gz MCUPVDHJLNMXHN-WDSKDSINSA-N 0 0 247.092 2.115 10 0 BEAERN CCOc1ccncc1[C@H]1CCCC1=O ZINC000306193278 359020634 /nfs/dbraw/zinc/02/06/34/359020634.db2.gz UMIUMBNOQXIGMP-SECBINFHSA-N 0 0 205.257 2.317 10 0 BEAERN COCCCCCNC(=O)N[C@@H](C)C(C)C ZINC000069731049 359032646 /nfs/dbraw/zinc/03/26/46/359032646.db2.gz CWQDTLDWBWIMMU-NSHDSACASA-N 0 0 230.352 2.147 10 0 BEAERN CCCCNC(=O)c1ccncc1CC ZINC000136041022 325438857 /nfs/dbraw/zinc/43/88/57/325438857.db2.gz OQLYVUNVWBHTHX-UHFFFAOYSA-N 0 0 206.289 2.174 10 0 BEAERN Cc1cc([C@@H](O)[C@@H]2CCCCO2)sn1 ZINC000306178645 358990190 /nfs/dbraw/zinc/99/01/90/358990190.db2.gz HLTAWNQXVOYKHH-WPRPVWTQSA-N 0 0 213.302 2.054 10 0 BEAERN C[C@@H]1SCC[C@@H]1NC1N=NC(=S)S1 ZINC000306179429 358992538 /nfs/dbraw/zinc/99/25/38/358992538.db2.gz GYIBDVVLBXIJNI-WHFBIAKZSA-N 0 0 233.387 2.133 10 0 BEAERN CCc1cc(N[C@@H]2CCCC[C@H]2CO)ncn1 ZINC000231143407 358994688 /nfs/dbraw/zinc/99/46/88/358994688.db2.gz DNMHXLKJZCPWGI-CMPLNLGQSA-N 0 0 235.331 2.002 10 0 BEAERN CC(C)(C)C(=O)N[C@H]1COc2ccccc21 ZINC000070266449 359048751 /nfs/dbraw/zinc/04/87/51/359048751.db2.gz SHDPEZRVEQLYRT-JTQLQIEISA-N 0 0 219.284 2.282 10 0 BEAERN CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)COC)C1 ZINC000247135004 359196093 /nfs/dbraw/zinc/19/60/93/359196093.db2.gz XMXHCFBBMRQSAV-UTUOFQBUSA-N 0 0 227.348 2.354 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247679169 359239695 /nfs/dbraw/zinc/23/96/95/359239695.db2.gz ZLPWSTXALIJISN-AXFHLTTASA-N 0 0 241.306 2.324 10 0 BEAERN C[C@H](c1ccccc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247215518 359202395 /nfs/dbraw/zinc/20/23/95/359202395.db2.gz QBTIMEJJLHPLGP-HIFRSBDPSA-N 0 0 248.370 2.010 10 0 BEAERN O[C@@H](c1ccsn1)[C@H]1CCCCS1 ZINC000306205812 359294682 /nfs/dbraw/zinc/29/46/82/359294682.db2.gz PBZVRNDDMVWOHA-BDAKNGLRSA-N 0 0 215.343 2.462 10 0 BEAERN O=c1c(Cl)nccn1CC=C(Cl)Cl ZINC000403465276 359301717 /nfs/dbraw/zinc/30/17/17/359301717.db2.gz NADBRGBNIMDYIX-UHFFFAOYSA-N 0 0 239.489 2.216 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1ccc(SC)nn1 ZINC000306210557 359303029 /nfs/dbraw/zinc/30/30/29/359303029.db2.gz ISFUNPNNNFJAAU-YUMQZZPRSA-N 0 0 209.318 2.409 10 0 BEAERN CCC1(CC)C(=O)N[C@H]1[C@H]1CCSC1 ZINC000306214559 359315735 /nfs/dbraw/zinc/31/57/35/359315735.db2.gz ZANAKRDKSLYSGO-IUCAKERBSA-N 0 0 213.346 2.044 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000308886804 491139723 /nfs/dbraw/zinc/13/97/23/491139723.db2.gz UHFAAGZYSIRIOL-RKDXNWHRSA-N 0 0 226.707 2.450 10 0 BEAERN NC(=O)Oc1cc(Cl)c(Cl)cc1N ZINC000306214623 359317257 /nfs/dbraw/zinc/31/72/57/359317257.db2.gz NDPUFGNZZOOTBM-UHFFFAOYSA-N 0 0 221.043 2.033 10 0 BEAERN CCCNc1nc(Cl)c(C(N)=S)s1 ZINC000306229437 359359640 /nfs/dbraw/zinc/35/96/40/359359640.db2.gz KDLARWLZOOFEEU-UHFFFAOYSA-N 0 0 235.765 2.253 10 0 BEAERN CSc1ccc(N[C@H]2CC2(C)C)nn1 ZINC000306218099 359335293 /nfs/dbraw/zinc/33/52/93/359335293.db2.gz KWOBYLILANBIRA-ZETCQYMHSA-N 0 0 209.318 2.409 10 0 BEAERN CC1(C)CCN(Cc2ccnc(Cl)n2)C1 ZINC000306247876 359433651 /nfs/dbraw/zinc/43/36/51/359433651.db2.gz UBQZTIRGJUZLDX-UHFFFAOYSA-N 0 0 225.723 2.362 10 0 BEAERN Cc1cc(C[C@]2(O)CCCOC2)cs1 ZINC000306238918 359396656 /nfs/dbraw/zinc/39/66/56/359396656.db2.gz PUICLYIYYRTOIX-LLVKDONJSA-N 0 0 212.314 2.141 10 0 BEAERN O=c1ccc(-c2ccsc2Cl)n[nH]1 ZINC000306248657 359446035 /nfs/dbraw/zinc/44/60/35/359446035.db2.gz XOWXQMANTTYWET-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN Cc1sc(=S)[nH]c1[C@@H]1CCOC1 ZINC000306249019 359446769 /nfs/dbraw/zinc/44/67/69/359446769.db2.gz HTCNDJRUGQEZQB-ZCFIWIBFSA-N 0 0 201.316 2.244 10 0 BEAERN O=C1OC[C@@H](SC[C@H]2CC2(Cl)Cl)O1 ZINC000306252398 359460463 /nfs/dbraw/zinc/46/04/63/359460463.db2.gz VIRLTLCQTGDGAN-RFZPGFLSSA-N 0 0 243.111 2.406 10 0 BEAERN O=C1NCC[C@H]1Cc1sccc1Cl ZINC000306254384 359465665 /nfs/dbraw/zinc/46/56/65/359465665.db2.gz PEGZKVUGMSCRHA-LURJTMIESA-N 0 0 215.705 2.080 10 0 BEAERN C[C@H](CO)Nc1ccc(Cl)cc1F ZINC000306247118 359438837 /nfs/dbraw/zinc/43/88/37/359438837.db2.gz XFAOLONTDPQRCF-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN Cc1cccc(CNC(=O)CC(C)C)n1 ZINC000130320886 359498337 /nfs/dbraw/zinc/49/83/37/359498337.db2.gz MAIUAWRTSFBKKS-UHFFFAOYSA-N 0 0 206.289 2.052 10 0 BEAERN Cc1c(N)cnc(NCCF)c1Br ZINC000306280864 359512437 /nfs/dbraw/zinc/51/24/37/359512437.db2.gz FDFGVJSYOCDSMH-UHFFFAOYSA-N 0 0 248.099 2.116 10 0 BEAERN CN(CC(F)F)c1c(N)cncc1Cl ZINC000306264643 359485679 /nfs/dbraw/zinc/48/56/79/359485679.db2.gz ARSCDNDULHVUDP-UHFFFAOYSA-N 0 0 221.638 2.019 10 0 BEAERN C[C@@H]1CCSCCN1NC(C)(C)C ZINC000306295976 359538032 /nfs/dbraw/zinc/53/80/32/359538032.db2.gz WQLANOHEMNHLDU-SECBINFHSA-N 0 0 202.367 2.117 10 0 BEAERN Cc1csc(N[C@@H](C)C[C@H](C)O)n1 ZINC000130341690 359587594 /nfs/dbraw/zinc/58/75/94/359587594.db2.gz FYCSOOQYLZTRIG-XPUUQOCRSA-N 0 0 200.307 2.023 10 0 BEAERN C[C@H]([C@H]1[NH2+][C@@H](C(=O)[O-])CCS1)C(C)(C)C ZINC000306321727 359608898 /nfs/dbraw/zinc/60/88/98/359608898.db2.gz UAOCXGRRICWKIC-HLTSFMKQSA-N 0 0 231.361 2.174 10 0 BEAERN CC(C)ON[C@@H]1CSCCC1(C)C ZINC000306348521 359668534 /nfs/dbraw/zinc/66/85/34/359668534.db2.gz SQZVWTXXDFMCIW-SECBINFHSA-N 0 0 203.351 2.448 10 0 BEAERN COCCNc1cnc(Br)c(C)c1 ZINC000306357167 359683341 /nfs/dbraw/zinc/68/33/41/359683341.db2.gz UUOXSUHYRUOFAH-UHFFFAOYSA-N 0 0 245.120 2.211 10 0 BEAERN NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1 ZINC000231287973 359695451 /nfs/dbraw/zinc/69/54/51/359695451.db2.gz YKHCONKRRQXNEU-UHFFFAOYSA-N 0 0 240.184 2.353 10 0 BEAERN [NH3+][C@H](C1CCCC1)C1(C(=O)[O-])CCCC1 ZINC000306383923 359735458 /nfs/dbraw/zinc/73/54/58/359735458.db2.gz VPOKRDWEXOFZEZ-SNVBAGLBSA-N 0 0 211.305 2.149 10 0 BEAERN COc1cc(Br)cc(NC#N)c1 ZINC000161015595 359736696 /nfs/dbraw/zinc/73/66/96/359736696.db2.gz FMVBRUZPADZSJZ-UHFFFAOYSA-N 0 0 227.061 2.351 10 0 BEAERN Cc1csc(N[C@@H]2CCC[C@H]2CO)n1 ZINC000231323006 359777102 /nfs/dbraw/zinc/77/71/02/359777102.db2.gz DJHDKEXBUIAJIR-DTWKUNHWSA-N 0 0 212.318 2.024 10 0 BEAERN C[C@@H](O)C(=O)c1c(F)cccc1Cl ZINC000306404982 359792115 /nfs/dbraw/zinc/79/21/15/359792115.db2.gz BXGHGCPGYBWBGJ-RXMQYKEDSA-N 0 0 202.612 2.043 10 0 BEAERN CCO[C@@H]1C[C@@H](Nc2cnn(C)c2)C12CCC2 ZINC000087709401 359924052 /nfs/dbraw/zinc/92/40/52/359924052.db2.gz BWIFZTNMKXKRBP-VXGBXAGGSA-N 0 0 235.331 2.180 10 0 BEAERN ON[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000306440536 359951160 /nfs/dbraw/zinc/95/11/60/359951160.db2.gz QOSPYWWLASSFGZ-SSDOTTSWSA-N 0 0 209.142 2.408 10 0 BEAERN C[C@@](O)(Cc1nccs1)c1ccoc1 ZINC000169260149 359981969 /nfs/dbraw/zinc/98/19/69/359981969.db2.gz DXQTYWCXCNHETG-SNVBAGLBSA-N 0 0 209.270 2.186 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1csc(Cl)n1 ZINC000306442853 360014949 /nfs/dbraw/zinc/01/49/49/360014949.db2.gz LVOZBAUDCXOQFV-WDSKDSINSA-N 0 0 218.709 2.386 10 0 BEAERN Nc1cc(Br)cc2[nH]c(=S)[nH]c21 ZINC000306456101 360047578 /nfs/dbraw/zinc/04/75/78/360047578.db2.gz QSGVFKLVPSRVDI-UHFFFAOYSA-N 0 0 244.117 2.196 10 0 BEAERN OCCCNc1cc(F)cc(Br)c1 ZINC000306471948 360099016 /nfs/dbraw/zinc/09/90/16/360099016.db2.gz SKGNZGOQCYSNKB-UHFFFAOYSA-N 0 0 248.095 2.383 10 0 BEAERN COc1ccc(-c2cnc(C=O)s2)cn1 ZINC000306472500 360100253 /nfs/dbraw/zinc/10/02/53/360100253.db2.gz SYTCLJJOPXJKAV-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN C[C@@H]1C[C@@](O)(C(F)(F)Br)[C@@H]1C ZINC000306463201 360074858 /nfs/dbraw/zinc/07/48/58/360074858.db2.gz LCVIASHOVDWPDW-PBXRRBTRSA-N 0 0 229.064 2.381 10 0 BEAERN O[C@H](c1csnn1)c1ccsc1Cl ZINC000306465648 360078594 /nfs/dbraw/zinc/07/85/94/360078594.db2.gz JZZXMCNHROIMIT-LURJTMIESA-N 0 0 232.717 2.335 10 0 BEAERN C[C@@H](CC(F)F)Nc1ccc(N)nc1 ZINC000306466016 360079756 /nfs/dbraw/zinc/07/97/56/360079756.db2.gz KETCOTJIDAOVHJ-LURJTMIESA-N 0 0 201.220 2.119 10 0 BEAERN CC1(C[C@@H](O)[C@H]2CSCCO2)CCC1 ZINC000306469312 360081711 /nfs/dbraw/zinc/08/17/11/360081711.db2.gz PEOVWZRFQLLICD-NXEZZACHSA-N 0 0 216.346 2.060 10 0 BEAERN CC(C)n1ncnc1[C@H]1CCCC(=O)C1 ZINC000306470066 360088054 /nfs/dbraw/zinc/08/80/54/360088054.db2.gz QJNGMGFPXPPYML-VIFPVBQESA-N 0 0 207.277 2.086 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000246563970 325571730 /nfs/dbraw/zinc/57/17/30/325571730.db2.gz HMHQDTZPLCOTKY-KKOKHZNYSA-N 0 0 222.332 2.226 10 0 BEAERN COc1cc([C@](C)(O)[C@@H]2C[C@@H]2C)sn1 ZINC000306482773 360150873 /nfs/dbraw/zinc/15/08/73/360150873.db2.gz KYPSZFIWFDAQTJ-NYNCVSEMSA-N 0 0 213.302 2.015 10 0 BEAERN CC[C@H](CSC)N(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000091147582 360106110 /nfs/dbraw/zinc/10/61/10/360106110.db2.gz USWKBODVVNSAQX-AXFHLTTASA-N 0 0 245.388 2.154 10 0 BEAERN CC1(C)C(=O)N[C@H]1c1occc1Br ZINC000306474177 360111581 /nfs/dbraw/zinc/11/15/81/360111581.db2.gz FUDHCYVDNZNLCV-ZETCQYMHSA-N 0 0 244.088 2.239 10 0 BEAERN CC(C)C(=O)c1cnn(C)c1Br ZINC000306478132 360125052 /nfs/dbraw/zinc/12/50/52/360125052.db2.gz ZGSLREVISZFHRC-UHFFFAOYSA-N 0 0 231.093 2.021 10 0 BEAERN Brc1cscc1[C@H]1COCCN1 ZINC000237974412 360209991 /nfs/dbraw/zinc/20/99/91/360209991.db2.gz DOJHVMVBMOHGIB-MRVPVSSYSA-N 0 0 248.145 2.172 10 0 BEAERN CC(C)(C(=O)c1cncnc1)C1CCC1 ZINC000306491923 360209999 /nfs/dbraw/zinc/20/99/99/360209999.db2.gz PCPSECUZZMSPHY-UHFFFAOYSA-N 0 0 204.273 2.486 10 0 BEAERN CCc1csc(-c2ncc(N)s2)n1 ZINC000306496373 360224677 /nfs/dbraw/zinc/22/46/77/360224677.db2.gz DLASZLDPGSEWQD-UHFFFAOYSA-N 0 0 211.315 2.411 10 0 BEAERN C[C@H]1CN(CC(Cl)(Cl)Cl)CCCO1 ZINC000306498104 360234512 /nfs/dbraw/zinc/23/45/12/360234512.db2.gz SWBBQTMOFXHZHL-ZETCQYMHSA-N 0 0 246.565 2.467 10 0 BEAERN CC(C)c1nsc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000309341001 491148043 /nfs/dbraw/zinc/14/80/43/491148043.db2.gz KIAZLNVSTQGAKR-BDAKNGLRSA-N 0 0 241.360 2.377 10 0 BEAERN Cc1[nH]c(=O)n(C/C(Cl)=C/Cl)c1C ZINC000306505185 360306662 /nfs/dbraw/zinc/30/66/62/360306662.db2.gz SIXGQDIRLDXJJI-CLTKARDFSA-N 0 0 221.087 2.112 10 0 BEAERN Brc1cc(CN2CCCCC2)on1 ZINC000237986457 360307578 /nfs/dbraw/zinc/30/75/78/360307578.db2.gz GBBJJJOLSQWKGZ-UHFFFAOYSA-N 0 0 245.120 2.423 10 0 BEAERN Cc1ccc([C@@H]2CN(Cc3cc[nH]c3)CCO2)o1 ZINC000093864935 360285116 /nfs/dbraw/zinc/28/51/16/360285116.db2.gz DDNVXJKAJVHWOJ-AWEZNQCLSA-N 0 0 246.310 2.490 10 0 BEAERN CCOC(=O)c1cc(C)cc(Br)n1 ZINC000306516175 360340158 /nfs/dbraw/zinc/34/01/58/360340158.db2.gz BBWXWIAOJOEUPZ-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN C[C@H](C[N@@H+]1CCCC12CCCC2)C(=O)[O-] ZINC000306515296 360341278 /nfs/dbraw/zinc/34/12/78/360341278.db2.gz CQSFEABFJGYBSR-SNVBAGLBSA-N 0 0 211.305 2.116 10 0 BEAERN [NH3+][C@H](Cc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000006582699 360342205 /nfs/dbraw/zinc/34/22/05/360342205.db2.gz DBMVJVZQGTXWTP-CQSZACIVSA-N 0 0 241.290 2.308 10 0 BEAERN CC[C@H](CNOCc1ccccc1)OC ZINC000306519396 360343811 /nfs/dbraw/zinc/34/38/11/360343811.db2.gz IRRFQJGDDKTZTA-GFCCVEGCSA-N 0 0 209.289 2.133 10 0 BEAERN NC(=O)c1ccc(Oc2ccccc2N)c(F)c1 ZINC000038056612 181300912 /nfs/dbraw/zinc/30/09/12/181300912.db2.gz FSFWSJSXPAOGGT-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN CC(C)[C@@H](NN)c1coc(Br)c1 ZINC000306522906 360365162 /nfs/dbraw/zinc/36/51/62/360365162.db2.gz QTAHETWVLKXIPH-MRVPVSSYSA-N 0 0 233.109 2.203 10 0 BEAERN O[C@@H](c1csc(Cl)c1)c1cnccn1 ZINC000306524589 360369554 /nfs/dbraw/zinc/36/95/54/360369554.db2.gz YZAOECYGKOPPJS-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN COC1(C2=NC(=O)CS2)CCCCC1 ZINC000306534358 360393228 /nfs/dbraw/zinc/39/32/28/360393228.db2.gz IOMMJOJURXRNKM-UHFFFAOYSA-N 0 0 213.302 2.008 10 0 BEAERN Nc1nn(-c2ccc(Cl)cn2)cc1Cl ZINC000069759853 360408163 /nfs/dbraw/zinc/40/81/63/360408163.db2.gz NZJAPDBLPHBRRF-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)s1 ZINC000614146383 363734567 /nfs/dbraw/zinc/73/45/67/363734567.db2.gz ZOFTUWCPUXXZNW-UWVGGRQHSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)s1 ZINC000614146385 363734587 /nfs/dbraw/zinc/73/45/87/363734587.db2.gz ZOFTUWCPUXXZNW-ZJUUUORDSA-N 0 0 239.340 2.090 10 0 BEAERN O[C@@H](c1cc(F)cc(F)c1F)C(F)F ZINC000306570007 360450155 /nfs/dbraw/zinc/45/01/55/360450155.db2.gz XSGHMVRCANRPOP-ZETCQYMHSA-N 0 0 212.117 2.402 10 0 BEAERN Cc1noc2nc(C(C)(C)C)cc(CO)c12 ZINC000400496911 360415419 /nfs/dbraw/zinc/41/54/19/360415419.db2.gz FWNGBGWXKWHYHM-UHFFFAOYSA-N 0 0 220.272 2.321 10 0 BEAERN CON(C)C[C@@H]1CSc2ccccc21 ZINC000306549365 360418822 /nfs/dbraw/zinc/41/88/22/360418822.db2.gz DSDJIQGEMINSRO-SECBINFHSA-N 0 0 209.314 2.369 10 0 BEAERN C[C@@H]1[C@@H](C)CCN1c1ccc(C=O)cn1 ZINC000306553958 360426520 /nfs/dbraw/zinc/42/65/20/360426520.db2.gz LBNCIUQPLRBZJC-VHSXEESVSA-N 0 0 204.273 2.129 10 0 BEAERN C[C@H](CO)Nc1cccc(Cl)c1F ZINC000306552972 360426632 /nfs/dbraw/zinc/42/66/32/360426632.db2.gz JCARWSZUFOKTED-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN CN(C)c1ccc(C(=O)C2(C)CC2)cn1 ZINC000306553095 360426773 /nfs/dbraw/zinc/42/67/73/360426773.db2.gz KOXCVIQEOWWSDZ-UHFFFAOYSA-N 0 0 204.273 2.130 10 0 BEAERN C[C@H](CC(F)F)Nc1ncc(F)cn1 ZINC000306556907 360428943 /nfs/dbraw/zinc/42/89/43/360428943.db2.gz IPCTZPVRXIUSDM-RXMQYKEDSA-N 0 0 205.183 2.071 10 0 BEAERN C[C@H](NC1=N[C@H](C)CCS1)C(F)(F)F ZINC000306559588 360433993 /nfs/dbraw/zinc/43/39/93/360433993.db2.gz QQXDYRCOPHWKIC-RITPCOANSA-N 0 0 226.267 2.408 10 0 BEAERN CO[C@@H](C)C(=O)c1cc(F)c(F)c(F)c1 ZINC000306559143 360434177 /nfs/dbraw/zinc/43/41/77/360434177.db2.gz QFBQDJRRQIKPQK-YFKPBYRVSA-N 0 0 218.174 2.322 10 0 BEAERN Cc1nc(OC(C)C)c(Cl)cc1CO ZINC000306560423 360435190 /nfs/dbraw/zinc/43/51/90/360435190.db2.gz MMZNTPPUJGXBSZ-UHFFFAOYSA-N 0 0 215.680 2.323 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CSC[C@H]1C ZINC000306581173 360479132 /nfs/dbraw/zinc/47/91/32/360479132.db2.gz OKLBUPLWRDVDOD-IYSWYEEDSA-N 0 0 217.725 2.164 10 0 BEAERN Brc1ccn(CC[C@@H]2CCOC2)n1 ZINC000306589079 360494044 /nfs/dbraw/zinc/49/40/44/360494044.db2.gz UCFRAGRTPMBSOH-MRVPVSSYSA-N 0 0 245.120 2.072 10 0 BEAERN CCn1ccnc1-c1csc(C(C)=O)n1 ZINC000306589807 360495256 /nfs/dbraw/zinc/49/52/56/360495256.db2.gz XJFWOMNJFZZUKM-UHFFFAOYSA-N 0 0 221.285 2.229 10 0 BEAERN C[C@H]1CSC[C@@H]1Nc1nc(Cl)ncc1F ZINC000306578156 360468118 /nfs/dbraw/zinc/46/81/18/360468118.db2.gz LVZNIEQIDGXTQF-FSPLSTOPSA-N 0 0 247.726 2.433 10 0 BEAERN C[C@H]1CN[C@@H](c2c(Cl)cnn2C)SC1 ZINC000306599865 360520501 /nfs/dbraw/zinc/52/05/01/360520501.db2.gz SAJHVSFIIJOAIZ-IMTBSYHQSA-N 0 0 231.752 2.045 10 0 BEAERN COc1cnc(-c2ccco2)[nH]c1=S ZINC000306600114 360521663 /nfs/dbraw/zinc/52/16/63/360521663.db2.gz IQWCMQHWPJWLTL-UHFFFAOYSA-N 0 0 208.242 2.408 10 0 BEAERN C[C@@H]1COCC[C@@H]1Nc1ccnc(F)c1 ZINC000300821331 360523099 /nfs/dbraw/zinc/52/30/99/360523099.db2.gz BKJDZOHHDRTLIN-SCZZXKLOSA-N 0 0 210.252 2.058 10 0 BEAERN O=C(C[C@@H]1CCC(F)(F)C1)[C@H]1CCOC1 ZINC000300827073 360523848 /nfs/dbraw/zinc/52/38/48/360523848.db2.gz GWTMVQJOMBDFSF-IUCAKERBSA-N 0 0 218.243 2.418 10 0 BEAERN CC(C)n1nccc1[C@@H]1N[C@H](C)CS1 ZINC000306600774 360527456 /nfs/dbraw/zinc/52/74/56/360527456.db2.gz UIMASNWQFCEQFD-PSASIEDQSA-N 0 0 211.334 2.188 10 0 BEAERN Cc1ncc(CNc2cc(Cl)ncn2)o1 ZINC000306591393 360506260 /nfs/dbraw/zinc/50/62/60/360506260.db2.gz VNSLEHNQAHFXHK-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN O[C@@H](C[C@@H]1CCOC1)c1ccc(Cl)o1 ZINC000306591851 360513123 /nfs/dbraw/zinc/51/31/23/360513123.db2.gz VWXKWKJHFQPJJQ-YUMQZZPRSA-N 0 0 216.664 2.393 10 0 BEAERN CSC[C@@H](C)c1nnc2cncc(Cl)n21 ZINC000300800599 360513913 /nfs/dbraw/zinc/51/39/13/360513913.db2.gz CXZUTKAMDDGFRU-ZCFIWIBFSA-N 0 0 242.735 2.244 10 0 BEAERN CC(C)(C)SC1CCS(=O)(=O)CC1 ZINC000306598350 360518377 /nfs/dbraw/zinc/51/83/77/360518377.db2.gz XLHFIZUPWHPJRH-UHFFFAOYSA-N 0 0 222.375 2.095 10 0 BEAERN CC(C)N(C)c1ncc(CO)cc1Cl ZINC000040864537 360627594 /nfs/dbraw/zinc/62/75/94/360627594.db2.gz HPAGWGDLRJJKIJ-UHFFFAOYSA-N 0 0 214.696 2.072 10 0 BEAERN CCC(F)(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000628839469 360693586 /nfs/dbraw/zinc/69/35/86/360693586.db2.gz UFHBPXQZRTWFCY-AYMMMOKOSA-N 0 0 217.259 2.194 10 0 BEAERN O=C1CCO[C@]2(CCc3ccccc32)C1 ZINC000069853222 360727415 /nfs/dbraw/zinc/72/74/15/360727415.db2.gz GLFJGNCVHMLZKY-CYBMUJFWSA-N 0 0 202.253 2.208 10 0 BEAERN O=C1CCO[C@H](c2cc(F)ccc2F)C1 ZINC000069850856 360704240 /nfs/dbraw/zinc/70/42/40/360704240.db2.gz VIZUGQFBQKFPDC-NSHDSACASA-N 0 0 212.195 2.385 10 0 BEAERN CCOC(=O)c1ccc(OC)c(F)c1F ZINC000238264896 360769110 /nfs/dbraw/zinc/76/91/10/360769110.db2.gz QNHBFJCNMCDXCN-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccn[nH]1 ZINC000103055083 200724382 /nfs/dbraw/zinc/72/43/82/200724382.db2.gz FMORVJHCRBCBKV-MNOVXSKESA-N 0 0 235.331 2.354 10 0 BEAERN COc1cc(C(F)(F)F)c(C(C)=O)cn1 ZINC000238336707 360884232 /nfs/dbraw/zinc/88/42/32/360884232.db2.gz FTCURTNUSDNFMG-UHFFFAOYSA-N 0 0 219.162 2.312 10 0 BEAERN NC(=S)CCn1ncc2cc(Cl)ccc21 ZINC000045921643 181316359 /nfs/dbraw/zinc/31/63/59/181316359.db2.gz OBJGSAOTOYIQKU-UHFFFAOYSA-N 0 0 239.731 2.366 10 0 BEAERN NC(=S)CCOc1ccc2c(c1)CCC2 ZINC000020296998 181316360 /nfs/dbraw/zinc/31/63/60/181316360.db2.gz RNKHJYGCTZIVNZ-UHFFFAOYSA-N 0 0 221.325 2.230 10 0 BEAERN CCc1ccc(C(=O)[C@@H]2CCOC2)cc1 ZINC000040941711 360914913 /nfs/dbraw/zinc/91/49/13/360914913.db2.gz AKEPXVFVZKZCCA-GFCCVEGCSA-N 0 0 204.269 2.468 10 0 BEAERN COc1cccc(CO)c1OC(F)(F)F ZINC000238371471 360977797 /nfs/dbraw/zinc/97/77/97/360977797.db2.gz LKRJWHRGKUZBPR-UHFFFAOYSA-N 0 0 222.162 2.086 10 0 BEAERN C[C@@H]1CC(=O)c2cc(F)cc(F)c2[S@@]1=O ZINC000040973308 360983056 /nfs/dbraw/zinc/98/30/56/360983056.db2.gz HEULPHCTOYNEFF-BMSCFWOVSA-N 0 0 230.235 2.047 10 0 BEAERN C[C@H]1CC(=O)c2cc(F)cc(F)c2[S@]1=O ZINC000040973315 360983162 /nfs/dbraw/zinc/98/31/62/360983162.db2.gz HEULPHCTOYNEFF-AANKLQPISA-N 0 0 230.235 2.047 10 0 BEAERN C[C@@H]1CC(=O)c2c(F)ccc(F)c2[S@@]1=O ZINC000040973359 360983906 /nfs/dbraw/zinc/98/39/06/360983906.db2.gz CZDLLWJRTLAPGV-BMSCFWOVSA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)[C@@H](C)C[S@@]2=O ZINC000040973042 360984340 /nfs/dbraw/zinc/98/43/40/360984340.db2.gz KEZATLBMROIEFL-BJOHPYRUSA-N 0 0 222.309 2.243 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)C[C@H](C)[S@]2=O ZINC000040973052 360984963 /nfs/dbraw/zinc/98/49/63/360984963.db2.gz FTHZPZMWWXZDTD-VFZGTOFNSA-N 0 0 222.309 2.386 10 0 BEAERN COc1ccc(OC(F)F)cc1OC ZINC000238385315 360988391 /nfs/dbraw/zinc/98/83/91/360988391.db2.gz MMZWYGOBUVFGFT-UHFFFAOYSA-N 0 0 204.172 2.305 10 0 BEAERN COc1c(N)cccc1OC(F)(F)F ZINC000238426158 361031786 /nfs/dbraw/zinc/03/17/86/361031786.db2.gz SNDXZTBNCFRHGN-UHFFFAOYSA-N 0 0 207.151 2.176 10 0 BEAERN NC(=S)c1ccnc(Nc2ccccc2)c1 ZINC000019483451 181321259 /nfs/dbraw/zinc/32/12/59/181321259.db2.gz CGDHXHBHFPRALW-UHFFFAOYSA-N 0 0 229.308 2.459 10 0 BEAERN NC(=S)c1ccccc1NCC(F)(F)F ZINC000020077230 181321262 /nfs/dbraw/zinc/32/12/62/181321262.db2.gz IPLVATDGFQDNJC-UHFFFAOYSA-N 0 0 234.246 2.295 10 0 BEAERN [NH3+]Cc1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000040996886 361068282 /nfs/dbraw/zinc/06/82/82/361068282.db2.gz LTRCNPXOGRESRB-UHFFFAOYSA-N 0 0 232.308 2.204 10 0 BEAERN CC[C@]1(O)CCCN(C(=O)[C@H]2CCC[C@@H]2C)C1 ZINC000634204954 361070089 /nfs/dbraw/zinc/07/00/89/361070089.db2.gz PVGOGNJQQMNKMK-OBJOEFQTSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cnc(OC(F)(F)F)c(C=O)c1 ZINC000238535207 361143124 /nfs/dbraw/zinc/14/31/24/361143124.db2.gz KIHWYESRBGFZEP-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN O=Cc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238534031 361143606 /nfs/dbraw/zinc/14/36/06/361143606.db2.gz ATNKUSRHJHOQPG-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=c1ccocc1-c1nc2ccccc2[nH]1 ZINC000238624590 361167769 /nfs/dbraw/zinc/16/77/69/361167769.db2.gz CXTSCOMOTYUABF-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN CC(C)C[C@@H](O)c1cc(Cl)cnc1N ZINC000069943382 361174235 /nfs/dbraw/zinc/17/42/35/361174235.db2.gz LQJJGKBEAFFJHI-SECBINFHSA-N 0 0 214.696 2.397 10 0 BEAERN O=c1cc([C@@H]2C[C@@H]2c2ccccc2)[nH][nH]1 ZINC000238700787 361180026 /nfs/dbraw/zinc/18/00/26/361180026.db2.gz RBZJEPPZUOQABD-NXEZZACHSA-N 0 0 200.241 2.386 10 0 BEAERN Cc1cc(-c2n[nH]c(C(C)C)n2)ccc1N ZINC000041058539 361218688 /nfs/dbraw/zinc/21/86/88/361218688.db2.gz DVFGRFZGSBYZKI-UHFFFAOYSA-N 0 0 216.288 2.486 10 0 BEAERN O=C1NCC[C@@H]1Cc1csc(Cl)c1 ZINC000306633105 361365156 /nfs/dbraw/zinc/36/51/56/361365156.db2.gz QETZGRVBDYNSFH-SSDOTTSWSA-N 0 0 215.705 2.080 10 0 BEAERN CC(C)c1ncn(-c2ccc(C=O)s2)n1 ZINC000306636091 361387083 /nfs/dbraw/zinc/38/70/83/361387083.db2.gz ARMMRYBWRQPATQ-UHFFFAOYSA-N 0 0 221.285 2.265 10 0 BEAERN Cc1cc(C2N=NC(=S)S2)sn1 ZINC000306636110 361387132 /nfs/dbraw/zinc/38/71/32/361387132.db2.gz ARWBEGLXWHBBIC-UHFFFAOYSA-N 0 0 215.328 2.259 10 0 BEAERN Cc1cc(Cl)c2[nH]c(=NN)ccc2c1 ZINC000070063994 361392933 /nfs/dbraw/zinc/39/29/33/361392933.db2.gz BLULFVNQVVMDFG-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN COc1cc(Cl)ccc1-c1cnc(=O)[nH]c1 ZINC000065344752 361393678 /nfs/dbraw/zinc/39/36/78/361393678.db2.gz WQFUCBBLNKXYES-UHFFFAOYSA-N 0 0 236.658 2.099 10 0 BEAERN N[C@@H](c1ncon1)c1ccc(C(F)(F)F)cc1 ZINC000036761944 361398070 /nfs/dbraw/zinc/39/80/70/361398070.db2.gz IKCRHTJRORKQSE-MRVPVSSYSA-N 0 0 243.188 2.137 10 0 BEAERN Fc1ccc(F)c(NC2CSC2)c1 ZINC000306636331 361445490 /nfs/dbraw/zinc/44/54/90/361445490.db2.gz AZAVMHYLXCMEFJ-UHFFFAOYSA-N 0 0 201.241 2.492 10 0 BEAERN CCOC(=O)N=c1[nH]c2c(s1)CCC2 ZINC000070225060 361481250 /nfs/dbraw/zinc/48/12/50/361481250.db2.gz LKJDBZUXRIPSCR-UHFFFAOYSA-N 0 0 212.274 2.200 10 0 BEAERN Cc1nnc(S[C@@H]2CCC(=O)C2)s1 ZINC000070233991 361486380 /nfs/dbraw/zinc/48/63/80/361486380.db2.gz CYORHNODMDRFNQ-SSDOTTSWSA-N 0 0 214.315 2.060 10 0 BEAERN COc1ccc(Cc2nc(Cl)n[nH]2)cc1 ZINC000070584193 361573295 /nfs/dbraw/zinc/57/32/95/361573295.db2.gz CFOYYKMDSWTOIT-UHFFFAOYSA-N 0 0 223.663 2.058 10 0 BEAERN CCC[N@@H+]1CCc2[nH]c(=S)sc2C1 ZINC000070598308 361581449 /nfs/dbraw/zinc/58/14/49/361581449.db2.gz NCOMJZPYBCNUGZ-UHFFFAOYSA-N 0 0 214.359 2.200 10 0 BEAERN C[C@H](CC(=O)[O-])[N@@H+]1CCCC12CCCC2 ZINC000306638339 361586834 /nfs/dbraw/zinc/58/68/34/361586834.db2.gz NBZMSUVIIRYQEK-SNVBAGLBSA-N 0 0 211.305 2.258 10 0 BEAERN Clc1cccnc1SC[C@H]1CO1 ZINC000070615037 361629220 /nfs/dbraw/zinc/62/92/20/361629220.db2.gz HOIYYIVDGMUDHO-ZCFIWIBFSA-N 0 0 201.678 2.226 10 0 BEAERN O=C(c1ccc2c(c1)OCCO2)C(F)(F)Cl ZINC000163980923 361668185 /nfs/dbraw/zinc/66/81/85/361668185.db2.gz HLBBHQKEAQJZLE-UHFFFAOYSA-N 0 0 248.612 2.472 10 0 BEAERN COC(=O)[C@H](N)Cc1c(Cl)cccc1Cl ZINC000070651415 361696802 /nfs/dbraw/zinc/69/68/02/361696802.db2.gz LNAADEXHHFBIMR-SECBINFHSA-N 0 0 248.109 2.036 10 0 BEAERN Cn1cc(Oc2nc(Cl)ncc2Cl)cn1 ZINC000161276680 363885253 /nfs/dbraw/zinc/88/52/53/363885253.db2.gz SORYZPVUIASUQT-UHFFFAOYSA-N 0 0 245.069 2.309 10 0 BEAERN Cn1cc(Oc2nc(Cl)cs2)cn1 ZINC000161277888 363886146 /nfs/dbraw/zinc/88/61/46/363886146.db2.gz PGBQVRIGCLWRCZ-UHFFFAOYSA-N 0 0 215.665 2.322 10 0 BEAERN CC[C@@H](NC(=O)CCCOC)c1nccs1 ZINC000130657435 363895182 /nfs/dbraw/zinc/89/51/82/363895182.db2.gz ZLENYVJCBQCVEC-SECBINFHSA-N 0 0 242.344 2.137 10 0 BEAERN COC(=O)[C@@]1(Cl)OC12CCCCCC2 ZINC000234579873 541312090 /nfs/dbraw/zinc/31/20/90/541312090.db2.gz PHPMZBQZDQRQMX-SNVBAGLBSA-N 0 0 218.680 2.218 10 0 BEAERN COc1cc(-c2ccc(C=O)o2)sn1 ZINC000306357511 541313350 /nfs/dbraw/zinc/31/33/50/541313350.db2.gz WRGHYIXRHRVEEC-UHFFFAOYSA-N 0 0 209.226 2.224 10 0 BEAERN Cc1cc(N)nn1COC1CCCCC1 ZINC000308796015 541327560 /nfs/dbraw/zinc/32/75/60/541327560.db2.gz JCXXBPIJOYLYDS-UHFFFAOYSA-N 0 0 209.293 2.081 10 0 BEAERN CCO[C@H](C)C(=O)N[C@@H](CC)c1nccs1 ZINC000130676698 364023995 /nfs/dbraw/zinc/02/39/95/364023995.db2.gz CUNHMCMSDJPSDZ-BDAKNGLRSA-N 0 0 242.344 2.135 10 0 BEAERN COC(=O)[C@@](C)(N)c1ccc(Cl)cc1Cl ZINC000037459602 364041765 /nfs/dbraw/zinc/04/17/65/364041765.db2.gz GMEFQZBCOUTHEW-JTQLQIEISA-N 0 0 248.109 2.340 10 0 BEAERN COC(=O)[C@@](C)(N)c1cccc(C(F)(F)F)c1 ZINC000037514698 364140251 /nfs/dbraw/zinc/14/02/51/364140251.db2.gz UAVQAZQHPGUTAD-JTQLQIEISA-N 0 0 247.216 2.052 10 0 BEAERN CCC[C@H](C)C(=O)NCC[C@H]1CCCC[C@H]1O ZINC000725263906 541336758 /nfs/dbraw/zinc/33/67/58/541336758.db2.gz ARNRLVFMHPXSCO-YNEHKIRRSA-N 0 0 241.375 2.480 10 0 BEAERN CC(C)[C@H](C)C(=O)NCC[C@@H]1CCCC[C@H]1O ZINC000725263917 541336460 /nfs/dbraw/zinc/33/64/60/541336460.db2.gz BVIOJUMGKLLOSK-RWMBFGLXSA-N 0 0 241.375 2.336 10 0 BEAERN NCC(F)(F)c1cccc2cccnc21 ZINC000035570147 181356767 /nfs/dbraw/zinc/35/67/67/181356767.db2.gz ZBCHYOUHRRLWEV-UHFFFAOYSA-N 0 0 208.211 2.285 10 0 BEAERN NCC(F)(F)c1ccc(Br)cc1 ZINC000095763998 181358223 /nfs/dbraw/zinc/35/82/23/181358223.db2.gz ARQYKMXMQFUESA-UHFFFAOYSA-N 0 0 236.059 2.500 10 0 BEAERN COC(=O)C1(c2ccc3c(c2)CCCO3)CC1 ZINC000116250698 370747746 /nfs/dbraw/zinc/74/77/46/370747746.db2.gz XWAKOHDDAWTROD-UHFFFAOYSA-N 0 0 232.279 2.216 10 0 BEAERN O[C@@H]1COc2c1cccc2C(F)(F)F ZINC000116389638 370767660 /nfs/dbraw/zinc/76/76/60/370767660.db2.gz ZHRYCVCASICONT-SSDOTTSWSA-N 0 0 204.147 2.131 10 0 BEAERN CCOCC(=O)N1CCC[C@H]1C(C)(C)CC ZINC000133553260 364353245 /nfs/dbraw/zinc/35/32/45/364353245.db2.gz AOQZGLAVYMQVPP-NSHDSACASA-N 0 0 227.348 2.450 10 0 BEAERN CCOCC(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000133553452 364353515 /nfs/dbraw/zinc/35/35/15/364353515.db2.gz AOQZGLAVYMQVPP-LLVKDONJSA-N 0 0 227.348 2.450 10 0 BEAERN C[C@@]1(C(=O)Cc2ccco2)CCCCO1 ZINC000130690130 364439973 /nfs/dbraw/zinc/43/99/73/364439973.db2.gz LSWAHSDJWAZWLL-LBPRGKRZSA-N 0 0 208.257 2.350 10 0 BEAERN C[C@]12CCCN1C(=O)N(c1ccccc1)C2=O ZINC000181932589 366856414 /nfs/dbraw/zinc/85/64/14/366856414.db2.gz RLOQFQVNNUXLPW-CYBMUJFWSA-N 0 0 230.267 2.008 10 0 BEAERN Cc1cccc(OCC(=O)N2CCCC[C@H]2C)n1 ZINC000181779375 366848382 /nfs/dbraw/zinc/84/83/82/366848382.db2.gz FCEMUCWLDNANAD-GFCCVEGCSA-N 0 0 248.326 2.170 10 0 BEAERN C[C@H]1CN(C(=O)NCC(C)(C)C)CCS1 ZINC000170878429 364560106 /nfs/dbraw/zinc/56/01/06/364560106.db2.gz BRNFNWANGFSCIG-VIFPVBQESA-N 0 0 230.377 2.179 10 0 BEAERN O=C(NC[C@@H]1CCCS1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250983815 364748260 /nfs/dbraw/zinc/74/82/60/364748260.db2.gz BQEMQJLVEFGNKW-VLEAKVRGSA-N 0 0 225.357 2.044 10 0 BEAERN CCCc1noc2[nH]c(CC)cc(=O)c12 ZINC000669383982 541437295 /nfs/dbraw/zinc/43/72/95/541437295.db2.gz MFTNCHJCDPOWDP-UHFFFAOYSA-N 0 0 206.245 2.443 10 0 BEAERN Cc1cc(NN)c2c(n1)onc2C1CCC1 ZINC000669384269 541437586 /nfs/dbraw/zinc/43/75/86/541437586.db2.gz RNFVRDAWDQWKAN-UHFFFAOYSA-N 0 0 218.260 2.084 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]1(C)Cc1cccs1 ZINC000669383956 541437879 /nfs/dbraw/zinc/43/78/79/541437879.db2.gz YSRNYZNGAGWHEQ-WDEREUQCSA-N 0 0 226.297 2.011 10 0 BEAERN [NH3+]CC[C@@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000077398265 181403600 /nfs/dbraw/zinc/40/36/00/181403600.db2.gz OCPNFUGWONCZFX-CYBMUJFWSA-N 0 0 245.278 2.021 10 0 BEAERN CC(C)c1noc(CN2CCS[C@@H](C)C2)n1 ZINC000171692402 365227419 /nfs/dbraw/zinc/22/74/19/365227419.db2.gz HXWHXIJESKWBJV-VIFPVBQESA-N 0 0 241.360 2.130 10 0 BEAERN CCc1nc(CN(C)[C@H]2CCC[C@H]2O)cs1 ZINC000337372589 365394626 /nfs/dbraw/zinc/39/46/26/365394626.db2.gz XBPPRULCODPWFY-WDEREUQCSA-N 0 0 240.372 2.051 10 0 BEAERN CC(C)c1nnc(CN2CCC(C)(C)C2)n1C ZINC000174252715 365477623 /nfs/dbraw/zinc/47/76/23/365477623.db2.gz TTXVFQVHUCKBFF-UHFFFAOYSA-N 0 0 236.363 2.170 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H](C2CCCCCC2)C1 ZINC000675060457 541463490 /nfs/dbraw/zinc/46/34/90/541463490.db2.gz YYMFQMAZTKZTKB-NEPJUHHUSA-N 0 0 225.332 2.267 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H](C2CCC(F)(F)CC2)C[NH2+]1 ZINC000675060493 541463508 /nfs/dbraw/zinc/46/35/08/541463508.db2.gz ZKDIEWRXHRCJGG-ZJUUUORDSA-N 0 0 247.285 2.265 10 0 BEAERN C[C@@H]1CCN(c2csc(C=O)c2)CCO1 ZINC000675063761 541465747 /nfs/dbraw/zinc/46/57/47/541465747.db2.gz NWQWVOKKWOCKKS-SECBINFHSA-N 0 0 225.313 2.176 10 0 BEAERN FC(F)c1nc2n(n1)[C@H](C(F)(F)F)CCN2 ZINC000312884661 541468910 /nfs/dbraw/zinc/46/89/10/541468910.db2.gz MHOGSNIGWVHHBG-VKHMYHEASA-N 0 0 242.151 2.135 10 0 BEAERN FC(F)c1nc2n(n1)[C@@H](C(F)(F)F)CCN2 ZINC000312884659 541468938 /nfs/dbraw/zinc/46/89/38/541468938.db2.gz MHOGSNIGWVHHBG-GSVOUGTGSA-N 0 0 242.151 2.135 10 0 BEAERN CC1([C@H]2CCNc3nc(C(F)F)nn32)CC1 ZINC000312890580 541468994 /nfs/dbraw/zinc/46/89/94/541468994.db2.gz KOSBAMQETKPGNA-ZCFIWIBFSA-N 0 0 228.246 2.373 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)[C@H]1C[C@@H]1C ZINC000321765515 541493716 /nfs/dbraw/zinc/49/37/16/541493716.db2.gz OQBYNMIWSARDJL-AEJSXWLSSA-N 0 0 214.305 2.247 10 0 BEAERN Cc1cc(Cl)ccc1[C@@H]1CNC(=O)C1 ZINC000228773236 541493753 /nfs/dbraw/zinc/49/37/53/541493753.db2.gz MUAAPKYDFQRTLC-QMMMGPOBSA-N 0 0 209.676 2.252 10 0 BEAERN C[C@@H](O)c1cn(-c2cc(F)cc(Cl)c2)nn1 ZINC000230059336 541500613 /nfs/dbraw/zinc/50/06/13/541500613.db2.gz KJSQJFKPDUJEKL-ZCFIWIBFSA-N 0 0 241.653 2.113 10 0 BEAERN Cc1ccc(N2CCOCC2=O)c(Cl)c1 ZINC000141808441 541503633 /nfs/dbraw/zinc/50/36/33/541503633.db2.gz MLVLCZYBXCQWON-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN CC[C@H]1[C@@H](C)CNc2nc(C(F)(F)F)nn21 ZINC000234078917 541511002 /nfs/dbraw/zinc/51/10/02/541511002.db2.gz FEVYIFQCCOMPDP-WDSKDSINSA-N 0 0 234.225 2.310 10 0 BEAERN CCc1nn2c(c1C)NCC[C@H]2C(F)F ZINC000234187614 541511479 /nfs/dbraw/zinc/51/14/79/541511479.db2.gz LZZOQKNCLUQCHB-QMMMGPOBSA-N 0 0 215.247 2.376 10 0 BEAERN CCc1cnn2c1NCC[C@H]2C(F)F ZINC000234140914 541511484 /nfs/dbraw/zinc/51/14/84/541511484.db2.gz ACCNSRSGQCWPPS-ZETCQYMHSA-N 0 0 201.220 2.067 10 0 BEAERN CC[C@@H]1CCCC[C@@]12O[C@@]2(Cl)C(=O)OC ZINC000233912755 541509454 /nfs/dbraw/zinc/50/94/54/541509454.db2.gz MUFMKMLAROXLPA-IEBDPFPHSA-N 0 0 232.707 2.464 10 0 BEAERN CC[C@@H]1CCC[C@@]12O[C@@]2(Cl)C(=O)OC ZINC000233927247 541509505 /nfs/dbraw/zinc/50/95/05/541509505.db2.gz KKINZNNOIYLGJZ-QNSHHTMESA-N 0 0 218.680 2.074 10 0 BEAERN CC[C@@H]1[C@H](C)CNc2c3c(nn21)NCCC3 ZINC000233963768 541509777 /nfs/dbraw/zinc/50/97/77/541509777.db2.gz HOCDDZJQXCCAEZ-PSASIEDQSA-N 0 0 220.320 2.254 10 0 BEAERN C[C@H]1C[C@H](C(=O)N2CCOCC2)CC(C)(C)C1 ZINC000183439222 367022142 /nfs/dbraw/zinc/02/21/42/367022142.db2.gz PPBHQLYRIMMDLX-RYUDHWBXSA-N 0 0 239.359 2.308 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)NCC(C)(C)O)CC(C)(C)C1 ZINC000184053538 367062097 /nfs/dbraw/zinc/06/20/97/367062097.db2.gz RLKLATHKXOTILN-GHMZBOCLSA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)c1nnc(CN(C)C2CCCC2)n1C ZINC000195042387 367333380 /nfs/dbraw/zinc/33/33/80/367333380.db2.gz RPKJAARMLJDOSQ-UHFFFAOYSA-N 0 0 236.363 2.313 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381527580 367424679 /nfs/dbraw/zinc/42/46/79/367424679.db2.gz OMAJSLUVPIJPSG-IUCAKERBSA-N 0 0 235.274 2.217 10 0 BEAERN CC(C)OCCCN(C)C(=O)OC(C)C ZINC000382803871 367559546 /nfs/dbraw/zinc/55/95/46/367559546.db2.gz LVUHXNAXRCSSCY-UHFFFAOYSA-N 0 0 217.309 2.278 10 0 BEAERN C[C@H](N(C)C(=O)[C@@H]1CCC[C@H]1C)C(C)(C)O ZINC000382814324 367560325 /nfs/dbraw/zinc/56/03/25/367560325.db2.gz RVCDBJXQOQLNOB-OUAUKWLOSA-N 0 0 227.348 2.040 10 0 BEAERN C[C@H](CC(C)(C)O)NC(=O)[C@@H]1CCC[C@H]1C ZINC000385255685 367813486 /nfs/dbraw/zinc/81/34/86/367813486.db2.gz XREKFHZULMGSFI-GMTAPVOTSA-N 0 0 227.348 2.088 10 0 BEAERN CCOC(=O)[C@H](C)[C@@H](C#N)c1ccccc1 ZINC000075627706 367933768 /nfs/dbraw/zinc/93/37/68/367933768.db2.gz NJWSSOVRSTXGGG-ZYHUDNBSSA-N 0 0 217.268 2.493 10 0 BEAERN CCC[C@H](O)[C@@H]1SCCS[C@H]1C ZINC000252720886 367894175 /nfs/dbraw/zinc/89/41/75/367894175.db2.gz MAFOUXRJEYTRHA-XHNCKOQMSA-N 0 0 206.376 2.385 10 0 BEAERN Brc1noc([C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000252738783 367902177 /nfs/dbraw/zinc/90/21/77/367902177.db2.gz GAHYNCYGIAAUTL-FMCRUOTFSA-N 0 0 229.077 2.346 10 0 BEAERN C[C@H](C1CC1)[N@@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252808138 368159398 /nfs/dbraw/zinc/15/93/98/368159398.db2.gz JPZMVDQGCVWJNP-BXKDBHETSA-N 0 0 211.305 2.114 10 0 BEAERN CC1(c2ccc(Br)nc2)OCCO1 ZINC000215027536 368139277 /nfs/dbraw/zinc/13/92/77/368139277.db2.gz TWXWZKJIIXWMPS-UHFFFAOYSA-N 0 0 244.088 2.064 10 0 BEAERN O[C@H]1CCCCCC[C@@H]1OCC(F)F ZINC000130745773 368140142 /nfs/dbraw/zinc/14/01/42/368140142.db2.gz XVNWRSNNXCTGRA-IUCAKERBSA-N 0 0 208.248 2.352 10 0 BEAERN COCCSc1n[nH]c(-c2ccccc2)n1 ZINC000026070426 368233525 /nfs/dbraw/zinc/23/35/25/368233525.db2.gz ZXKRNDDENOFGHQ-UHFFFAOYSA-N 0 0 235.312 2.210 10 0 BEAERN COC(=O)c1cc(O)c(C)c(Cl)c1 ZINC000038416706 368251980 /nfs/dbraw/zinc/25/19/80/368251980.db2.gz NWFZDTNXHPBQNP-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN O=c1cc(C(F)(F)F)nc(C2CCCC2)[nH]1 ZINC000224779621 368367953 /nfs/dbraw/zinc/36/79/53/368367953.db2.gz BDBVDEHURNSQQQ-UHFFFAOYSA-N 0 0 232.205 2.446 10 0 BEAERN COc1cc2ncncc2cc1Br ZINC000231540653 368369144 /nfs/dbraw/zinc/36/91/44/368369144.db2.gz UDHSWGVPTLIGSE-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN COC(=O)C[C@H]1CCc2cc(O)ccc2C1 ZINC000038975386 368327141 /nfs/dbraw/zinc/32/71/41/368327141.db2.gz AFYWWBJQRXAUEQ-VIFPVBQESA-N 0 0 220.268 2.060 10 0 BEAERN O=C1c2ccccc2OCc2ncccc21 ZINC000038673313 368327488 /nfs/dbraw/zinc/32/74/88/368327488.db2.gz YIZIHPKZDAOPLJ-UHFFFAOYSA-N 0 0 211.220 2.205 10 0 BEAERN CCCCC(=O)N1C(=O)OC[C@@H]1C(C)C ZINC000038524274 368328031 /nfs/dbraw/zinc/32/80/31/368328031.db2.gz ZAOVCDQUFDERJV-SECBINFHSA-N 0 0 213.277 2.180 10 0 BEAERN CC(C)(C(=O)[O-])[C@H]([NH3+])CCc1ccccc1 ZINC000038997644 368329196 /nfs/dbraw/zinc/32/91/96/368329196.db2.gz BSEDHQZMQSWXLX-LLVKDONJSA-N 0 0 221.300 2.057 10 0 BEAERN CC(=O)Oc1cc2oc(=O)cc(C)c2cc1C ZINC000039477212 368330522 /nfs/dbraw/zinc/33/05/22/368330522.db2.gz TZCWEZGQPBVQDO-UHFFFAOYSA-N 0 0 232.235 2.335 10 0 BEAERN OCc1ccc(COc2ccccc2)cn1 ZINC000059679439 368333757 /nfs/dbraw/zinc/33/37/57/368333757.db2.gz VPAWYFRUVXUTHH-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN CCCC[C@@H](CC)COC(=O)[C@H]1CO1 ZINC000060121542 368334934 /nfs/dbraw/zinc/33/49/34/368334934.db2.gz CRHQOSXUXQSUQY-NXEZZACHSA-N 0 0 200.278 2.145 10 0 BEAERN Nc1cc(Cc2c(F)ccc(F)c2F)[nH]n1 ZINC000144707947 368349509 /nfs/dbraw/zinc/34/95/09/368349509.db2.gz MGZRWJPEDYTSCA-UHFFFAOYSA-N 0 0 227.189 2.000 10 0 BEAERN CC(=O)c1c(N)cccc1C(F)(F)F ZINC000143809766 368349542 /nfs/dbraw/zinc/34/95/42/368349542.db2.gz UWIAKNBMFWYSPP-UHFFFAOYSA-N 0 0 203.163 2.490 10 0 BEAERN O=c1ccn(-c2ccc3scnc3c2)cc1O ZINC000149866418 368351010 /nfs/dbraw/zinc/35/10/10/368351010.db2.gz IAQAARLIZJHNJE-UHFFFAOYSA-N 0 0 244.275 2.153 10 0 BEAERN Cc1cccc(N2CCCC[C@@H]2CO)c1 ZINC000165516110 368352059 /nfs/dbraw/zinc/35/20/59/368352059.db2.gz HXCZYJGWBISKTB-CYBMUJFWSA-N 0 0 205.301 2.346 10 0 BEAERN Cc1cc(N(C=O)c2cccnc2Cl)no1 ZINC000199586062 368354100 /nfs/dbraw/zinc/35/41/00/368354100.db2.gz AANLGEAGXFKJDK-UHFFFAOYSA-N 0 0 237.646 2.326 10 0 BEAERN Clc1cc2c(cn1)ncn2[C@H]1CCOC1 ZINC000222108295 368363483 /nfs/dbraw/zinc/36/34/83/368363483.db2.gz HSGALCOEVJEBNX-ZETCQYMHSA-N 0 0 223.663 2.046 10 0 BEAERN CNc1cc(-c2cc(F)cc(F)c2)nc(N)n1 ZINC000223279422 368364952 /nfs/dbraw/zinc/36/49/52/368364952.db2.gz YYMCMKQKQDCCSF-UHFFFAOYSA-N 0 0 236.225 2.046 10 0 BEAERN C[Si](C)(C)CCOCn1nccc1F ZINC000204675368 368399027 /nfs/dbraw/zinc/39/90/27/368399027.db2.gz ZQSPNVPJKLHKLA-UHFFFAOYSA-N 0 0 216.332 2.335 10 0 BEAERN C[C@H]1CC(=O)CN(Cc2ccccc2)[C@H]1C ZINC000101417908 368383561 /nfs/dbraw/zinc/38/35/61/368383561.db2.gz GBNPXKCPQPNLBB-RYUDHWBXSA-N 0 0 217.312 2.486 10 0 BEAERN COc1ccccc1N1CCC2(CC1)OCCO2 ZINC000139515659 368391327 /nfs/dbraw/zinc/39/13/27/368391327.db2.gz VUGLJRDQTMLNBJ-UHFFFAOYSA-N 0 0 249.310 2.039 10 0 BEAERN Cn1nccc1-c1ccc(N)c(Cl)c1 ZINC000203801580 368512869 /nfs/dbraw/zinc/51/28/69/368512869.db2.gz BMMOHZHCQIHJML-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN COC(=O)c1ccccc1[C@@H](O)C(F)(F)F ZINC000107778709 368517395 /nfs/dbraw/zinc/51/73/95/368517395.db2.gz DNPJXBZVRRSEPV-MRVPVSSYSA-N 0 0 234.173 2.069 10 0 BEAERN CC(=O)N[C@@H]1CCOc2c(C)cc(C)cc21 ZINC000060335362 368538255 /nfs/dbraw/zinc/53/82/55/368538255.db2.gz FCDWBULDOFGYCG-GFCCVEGCSA-N 0 0 219.284 2.263 10 0 BEAERN CCCc1cc(CNC(=O)CC)ccc1O ZINC000082289570 368665602 /nfs/dbraw/zinc/66/56/02/368665602.db2.gz IMPPJTYEWDBCOK-UHFFFAOYSA-N 0 0 221.300 2.371 10 0 BEAERN COCCCOc1cc(CO)nc2ccccc21 ZINC000109594980 368644701 /nfs/dbraw/zinc/64/47/01/368644701.db2.gz QCUCKLYZERDKSV-UHFFFAOYSA-N 0 0 247.294 2.142 10 0 BEAERN CC[C@H](Nc1ncnc2n[nH]cc21)C(C)C ZINC000066388070 368646741 /nfs/dbraw/zinc/64/67/41/368646741.db2.gz DNJSJTGSYOZMOY-VIFPVBQESA-N 0 0 219.292 2.199 10 0 BEAERN CCOC(=O)c1cc2c(o1)c(C=O)ccc2OC ZINC000082311434 368670724 /nfs/dbraw/zinc/67/07/24/368670724.db2.gz BWSHWXUDUUYNDI-UHFFFAOYSA-N 0 0 248.234 2.431 10 0 BEAERN Cc1noc([C@@H](NC(=O)CC(C)C)C(C)C)n1 ZINC000112027068 368865343 /nfs/dbraw/zinc/86/53/43/368865343.db2.gz KIXYUHKLBUZEKI-NSHDSACASA-N 0 0 239.319 2.237 10 0 BEAERN Cc1noc([C@H](NC(=O)CC(C)C)C(C)C)n1 ZINC000112027066 368865707 /nfs/dbraw/zinc/86/57/07/368865707.db2.gz KIXYUHKLBUZEKI-LLVKDONJSA-N 0 0 239.319 2.237 10 0 BEAERN C[C@@H](NC(=O)c1cscn1)C(C)(C)C ZINC000112248581 368868266 /nfs/dbraw/zinc/86/82/66/368868266.db2.gz CNJZUMCIYCXMHN-SSDOTTSWSA-N 0 0 212.318 2.308 10 0 BEAERN Cc1cnc2c(NCc3ccncc3)nccn12 ZINC000003820150 368882850 /nfs/dbraw/zinc/88/28/50/368882850.db2.gz LXRVAGIYXNQOKP-UHFFFAOYSA-N 0 0 239.282 2.045 10 0 in-vivo BEAERN O=[N+]([O-])/C=C/c1cc(F)c(F)cc1F ZINC000113166701 368885291 /nfs/dbraw/zinc/88/52/91/368885291.db2.gz BAGFUYYUDBXDQE-OWOJBTEDSA-N 0 0 203.119 2.351 10 0 BEAERN C[C@H](O)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000113385456 368891354 /nfs/dbraw/zinc/89/13/54/368891354.db2.gz SCSAPYIJZGZEAX-SSDLBLMSSA-N 0 0 221.083 2.408 10 0 BEAERN OC[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000113382357 368891526 /nfs/dbraw/zinc/89/15/26/368891526.db2.gz XLOIOPDDKDCGQY-CQSZACIVSA-N 0 0 228.291 2.172 10 0 BEAERN CCOC(=O)c1cc2ccccc2n1O ZINC000113717491 368902652 /nfs/dbraw/zinc/90/26/52/368902652.db2.gz DEADMIDWDJQETL-UHFFFAOYSA-N 0 0 205.213 2.055 10 0 BEAERN COc1cc2c(c(F)c1)NC(=O)[C@H]2SC ZINC000088325338 368910950 /nfs/dbraw/zinc/91/09/50/368910950.db2.gz BNMMWQHUVIAAQH-VIFPVBQESA-N 0 0 227.260 2.191 10 0 BEAERN COc1ccc(C=O)cc1O[C@H]1CCCCO1 ZINC000114998158 368967025 /nfs/dbraw/zinc/96/70/25/368967025.db2.gz MJDKXOZCLCVOMC-ZDUSSCGKSA-N 0 0 236.267 2.413 10 0 BEAERN COc1c(N)cc(C(C)(C)C)cc1[S@@](C)=O ZINC000114404444 368938170 /nfs/dbraw/zinc/93/81/70/368938170.db2.gz MBUXXISIBLPAOE-INIZCTEOSA-N 0 0 241.356 2.312 10 0 BEAERN COc1c(N)cc(C(C)(C)C)cc1[S@](C)=O ZINC000114404446 368938465 /nfs/dbraw/zinc/93/84/65/368938465.db2.gz MBUXXISIBLPAOE-MRXNPFEDSA-N 0 0 241.356 2.312 10 0 BEAERN CN(C)c1nccnc1-c1nc2ccccc2[nH]1 ZINC000117464487 368956365 /nfs/dbraw/zinc/95/63/65/368956365.db2.gz PKLQPZBZNWIIAQ-UHFFFAOYSA-N 0 0 239.282 2.086 10 0 BEAERN COC(=O)C(=O)[C@@H](Cl)c1cccc(F)c1C ZINC000114969717 368965368 /nfs/dbraw/zinc/96/53/68/368965368.db2.gz XXFGUFDHHNGPOQ-VIFPVBQESA-N 0 0 244.649 2.156 10 0 BEAERN CCOC(=O)N1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616609809 369102412 /nfs/dbraw/zinc/10/24/12/369102412.db2.gz CDUPQKMPHVZXDU-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN CSCc1nc2c(s1)[C@H](O)CCC2 ZINC000054497091 369073784 /nfs/dbraw/zinc/07/37/84/369073784.db2.gz NHNGTDCMFDFEIP-SSDOTTSWSA-N 0 0 215.343 2.376 10 0 BEAERN NC(=O)N1CCc2ccccc2[C@@H]1C(F)(F)F ZINC000616693248 369116029 /nfs/dbraw/zinc/11/60/29/369116029.db2.gz UFATXQOKAMEQKR-SECBINFHSA-N 0 0 244.216 2.227 10 0 BEAERN O[C@H](Cc1ccco1)[C@H]1CSCCS1 ZINC000130849963 369118905 /nfs/dbraw/zinc/11/89/05/369118905.db2.gz SBYZAGDJYAHWFS-NXEZZACHSA-N 0 0 230.354 2.032 10 0 BEAERN C[C@@H](O)c1cnc(N2CC[C@@H](C)C2)s1 ZINC000054911611 369108979 /nfs/dbraw/zinc/10/89/79/369108979.db2.gz GYCJRUKIEMXPHN-HTQZYQBOSA-N 0 0 212.318 2.043 10 0 BEAERN C[C@@H](O)c1cnc(N2CC[C@H](C)C2)s1 ZINC000054911612 369108992 /nfs/dbraw/zinc/10/89/92/369108992.db2.gz GYCJRUKIEMXPHN-JGVFFNPUSA-N 0 0 212.318 2.043 10 0 BEAERN Cc1nc(N2CCCC2)sc1[C@@H](C)O ZINC000054910293 369109980 /nfs/dbraw/zinc/10/99/80/369109980.db2.gz DTLLRSVEJNEYGT-MRVPVSSYSA-N 0 0 212.318 2.105 10 0 BEAERN Cc1nc(N(C)C(C)C)sc1[C@@H](C)O ZINC000054910460 369110015 /nfs/dbraw/zinc/11/00/15/369110015.db2.gz XCFAWKIAYJKLQE-MRVPVSSYSA-N 0 0 214.334 2.349 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1ncc[nH]1 ZINC000616692498 369114764 /nfs/dbraw/zinc/11/47/64/369114764.db2.gz UJDSNPVQYORNOS-GFCCVEGCSA-N 0 0 228.299 2.403 10 0 BEAERN CC(C)CN(C(=O)[C@H]1CC[C@@H](C)O1)C(C)C ZINC000178188454 134304625 /nfs/dbraw/zinc/30/46/25/134304625.db2.gz QNDUIQIFKAXKLK-VXGBXAGGSA-N 0 0 227.348 2.447 10 0 BEAERN CCc1ccc(-c2nn(C)cc2N)cc1 ZINC000106879709 369210287 /nfs/dbraw/zinc/21/02/87/369210287.db2.gz RCFHNNOJQPAXMX-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN O=c1[nH]c2sccc2c2c(O)cccc12 ZINC000000003267 369349450 /nfs/dbraw/zinc/34/94/50/369349450.db2.gz ZKARURYMSBJCQS-UHFFFAOYSA-N 0 0 217.249 2.448 10 0 BEAERN COc1ccc(CNc2ccncn2)c(OC)c1 ZINC000109554514 369495255 /nfs/dbraw/zinc/49/52/55/369495255.db2.gz JFPYIXGPHPIBOB-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C ZINC000251791363 369970285 /nfs/dbraw/zinc/97/02/85/369970285.db2.gz NKVLTHWVFSITAP-PZWNZHSQSA-N 0 0 207.317 2.147 10 0 BEAERN CCOC(OCC)c1nc2cccnc2n1C ZINC000111348653 370135032 /nfs/dbraw/zinc/13/50/32/370135032.db2.gz OAIPYIXGHIVXKV-UHFFFAOYSA-N 0 0 235.287 2.040 10 0 BEAERN O=C(N[C@H]1CCCSC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252978101 370144371 /nfs/dbraw/zinc/14/43/71/370144371.db2.gz AIHGNAHDSZDRBH-VLEAKVRGSA-N 0 0 225.357 2.044 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)C(C1CC1)C1CC1 ZINC000075981085 370196354 /nfs/dbraw/zinc/19/63/54/370196354.db2.gz DXLYLKDOZDBRDI-KCJUWKMLSA-N 0 0 222.332 2.225 10 0 BEAERN CC(C)(C)Nc1nc(N)cc(Br)n1 ZINC000161543043 370269856 /nfs/dbraw/zinc/26/98/56/370269856.db2.gz MYUICHVLAYXARB-UHFFFAOYSA-N 0 0 245.124 2.032 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H]2CCC[C@@H](O)C2)c1 ZINC000077102508 370394824 /nfs/dbraw/zinc/39/48/24/370394824.db2.gz NJKWUBVKNJHNKM-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN NC(=O)c1cc(C(F)(F)F)c(F)cc1F ZINC000002382145 370396978 /nfs/dbraw/zinc/39/69/78/370396978.db2.gz FTVMMFCFNDADDO-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN C[C@H]1CCS[C@@H](c2nccs2)N1 ZINC000161611227 370603668 /nfs/dbraw/zinc/60/36/68/370603668.db2.gz KEQYNCQDCSTRPL-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN O=Cc1ccc(-c2cncnc2)c(F)c1 ZINC000161625355 370628796 /nfs/dbraw/zinc/62/87/96/370628796.db2.gz LVPBNAXJWZJOHX-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN CC(=O)N(C)c1ccccc1NC(=O)[C@H]1C[C@@H]1C ZINC000118260537 371005667 /nfs/dbraw/zinc/00/56/67/371005667.db2.gz JRBNYCXONYIPDY-ONGXEEELSA-N 0 0 246.310 2.264 10 0 BEAERN Cc1cccc(CNC(=O)N2CCC[C@@H](C)C2)n1 ZINC000123732894 371101223 /nfs/dbraw/zinc/10/12/23/371101223.db2.gz DIDOPZCREGHGKN-LLVKDONJSA-N 0 0 247.342 2.332 10 0 BEAERN N[C@H](c1nccs1)c1ccc(F)cc1 ZINC000058432204 181562558 /nfs/dbraw/zinc/56/25/58/181562558.db2.gz TUDAFFVVKOJZGO-VIFPVBQESA-N 0 0 208.261 2.330 10 0 BEAERN CCCCN(CC)c1cc(C(N)=S)ccn1 ZINC000019805675 168804075 /nfs/dbraw/zinc/80/40/75/168804075.db2.gz RSLSEMBEXBECLB-UHFFFAOYSA-N 0 0 237.372 2.342 10 0 BEAERN Nc1c(Cl)ncnc1N1CCCCCCC1 ZINC000060836985 181668571 /nfs/dbraw/zinc/66/85/71/181668571.db2.gz YTIUOXAJPBPBPB-UHFFFAOYSA-N 0 0 240.738 2.483 10 0 BEAERN Nc1c(F)cccc1OC[C@@H]1CCCCO1 ZINC000037420198 181670019 /nfs/dbraw/zinc/67/00/19/181670019.db2.gz BDEQKSZMARJBJU-VIFPVBQESA-N 0 0 225.263 2.356 10 0 BEAERN Nc1cc(-c2cccs2)nn1[C@@H]1CCC[C@H]1O ZINC000054599699 181675117 /nfs/dbraw/zinc/67/51/17/181675117.db2.gz CCTASJMIXYLJHO-NXEZZACHSA-N 0 0 249.339 2.280 10 0 BEAERN Nc1cc(F)c(NC2CCOCC2)c(F)c1 ZINC000038040188 181686089 /nfs/dbraw/zinc/68/60/89/181686089.db2.gz HTRLUUAWRBJTSM-UHFFFAOYSA-N 0 0 228.242 2.138 10 0 BEAERN Nc1cc(F)c(Sc2ccncn2)c(F)c1 ZINC000042143987 181686146 /nfs/dbraw/zinc/68/61/46/181686146.db2.gz ZOHIVPUAIMXKNL-UHFFFAOYSA-N 0 0 239.250 2.488 10 0 BEAERN Nc1cc(F)ccc1NC1CCC(O)CC1 ZINC000020381818 181687281 /nfs/dbraw/zinc/68/72/81/181687281.db2.gz FVTBIWRNHSMEFS-UHFFFAOYSA-N 0 0 224.279 2.123 10 0 BEAERN CCCCO[C@@H](C)C(=O)NCCCCSC ZINC000125754037 371394953 /nfs/dbraw/zinc/39/49/53/371394953.db2.gz FQMJRRKCROYTKB-NSHDSACASA-N 0 0 247.404 2.451 10 0 BEAERN Nc1ccc(-c2noc(-c3ccccn3)n2)cc1 ZINC000035696928 181697328 /nfs/dbraw/zinc/69/73/28/181697328.db2.gz DCQBJSZPYNKQBT-UHFFFAOYSA-N 0 0 238.250 2.381 10 0 BEAERN Nc1ccc(F)c(C(=O)N2CCCCC2)c1 ZINC000035651259 181711068 /nfs/dbraw/zinc/71/10/68/181711068.db2.gz TYKPDXHVSUXMHJ-UHFFFAOYSA-N 0 0 222.263 2.034 10 0 BEAERN Nc1ccc(F)cc1COC[C@@H]1CCCCO1 ZINC000035308789 181711705 /nfs/dbraw/zinc/71/17/05/181711705.db2.gz BQCYZABQNGPEEH-LBPRGKRZSA-N 0 0 239.290 2.494 10 0 BEAERN Nc1cccc(COc2cncc(Cl)n2)c1 ZINC000090600473 181743273 /nfs/dbraw/zinc/74/32/73/181743273.db2.gz WGQMUWQUQPEQME-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN Nc1cccc(Cl)c1NC(=O)c1ccon1 ZINC000050352686 181744892 /nfs/dbraw/zinc/74/48/92/181744892.db2.gz UICIPKLABNMQSS-UHFFFAOYSA-N 0 0 237.646 2.163 10 0 BEAERN Nc1cccc(Cl)c1-c1nnnn1C1CCC1 ZINC000104337365 181745221 /nfs/dbraw/zinc/74/52/21/181745221.db2.gz TTZQMZQKEANMFL-UHFFFAOYSA-N 0 0 249.705 2.301 10 0 BEAERN Nc1cccc(Cl)c1NC[C@H]1CCOC1 ZINC000061146674 181745315 /nfs/dbraw/zinc/74/53/15/181745315.db2.gz QREGTXNFYKBJEU-MRVPVSSYSA-N 0 0 226.707 2.371 10 0 BEAERN Nc1cnc(NCc2ccncc2)c(Cl)c1 ZINC000082547805 181767937 /nfs/dbraw/zinc/76/79/37/181767937.db2.gz TWCNDRRUYDHUHX-UHFFFAOYSA-N 0 0 234.690 2.324 10 0 BEAERN Nc1cnc(Cc2c(F)cccc2Cl)nc1 ZINC000058040345 181767938 /nfs/dbraw/zinc/76/79/38/181767938.db2.gz FLYHVHYRLRTMNW-UHFFFAOYSA-N 0 0 237.665 2.442 10 0 BEAERN Nc1cnc(OCC2CCCCC2)nc1 ZINC000052146239 181768825 /nfs/dbraw/zinc/76/88/25/181768825.db2.gz DFYPYVIUSRZWAZ-UHFFFAOYSA-N 0 0 207.277 2.018 10 0 BEAERN CCCCN(CC)C(=O)NCc1cscn1 ZINC000126335367 371511762 /nfs/dbraw/zinc/51/17/62/371511762.db2.gz PGCULDFGEBVWSI-UHFFFAOYSA-N 0 0 241.360 2.475 10 0 BEAERN Nc1ccccc1[C@H]1NC(=O)Cc2ccccc21 ZINC000033852862 181758994 /nfs/dbraw/zinc/75/89/94/181758994.db2.gz MPVPDOAOJQJVCZ-HNNXBMFYSA-N 0 0 238.290 2.031 10 0 BEAERN Cc1cnc(-n2cccn2)c(Br)c1 ZINC000161741433 371558478 /nfs/dbraw/zinc/55/84/78/371558478.db2.gz PYWANWILEBEKBQ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN C[C@H]1C[C@@](O)(C(F)(F)Br)CS1 ZINC000225656216 371564230 /nfs/dbraw/zinc/56/42/30/371564230.db2.gz ZNGQCAIHXJSGOD-WHFBIAKZSA-N 0 0 247.104 2.231 10 0 BEAERN C[C@H]1CCN(C2N=NC(=S)S2)[C@@H](C)C1 ZINC000225764246 371576018 /nfs/dbraw/zinc/57/60/18/371576018.db2.gz UQOUCGURWQJDNV-BQBZGAKWSA-N 0 0 229.374 2.452 10 0 BEAERN CON[C@@H]1c2cc(Cl)ccc2O[C@@H]1C ZINC000131250107 371576214 /nfs/dbraw/zinc/57/62/14/371576214.db2.gz OBPZUOMKDQQIDW-LDWIPMOCSA-N 0 0 213.664 2.313 10 0 BEAERN CON[C@H]1c2cc(Cl)ccc2O[C@@H]1C ZINC000131250477 371576290 /nfs/dbraw/zinc/57/62/90/371576290.db2.gz OBPZUOMKDQQIDW-LHLIQPBNSA-N 0 0 213.664 2.313 10 0 BEAERN CC(C)CCC(=O)N1[C@H](C)COC[C@H]1C ZINC000131271882 371580368 /nfs/dbraw/zinc/58/03/68/371580368.db2.gz SSMOOQNNGDWRNT-GHMZBOCLSA-N 0 0 213.321 2.058 10 0 BEAERN C[C@H](CO)C[C@H]1Cc2ccccc2C1=O ZINC000162014240 371601440 /nfs/dbraw/zinc/60/14/40/371601440.db2.gz BIQLZCDKXODZOC-ONGXEEELSA-N 0 0 204.269 2.060 10 0 BEAERN O=C([O-])[C@@]1(Cc2ccc(Cl)s2)CCC[NH2+]1 ZINC000215657323 371608698 /nfs/dbraw/zinc/60/86/98/371608698.db2.gz LHZKGULFORBRHW-JTQLQIEISA-N 0 0 245.731 2.151 10 0 BEAERN CON[C@@H]1COc2cc(Br)ccc21 ZINC000131501149 371612278 /nfs/dbraw/zinc/61/22/78/371612278.db2.gz VIPQLLVGHUDPTD-MRVPVSSYSA-N 0 0 244.088 2.034 10 0 BEAERN NCC(F)(F)c1ccccc1Br ZINC000131745715 371665836 /nfs/dbraw/zinc/66/58/36/371665836.db2.gz MGLVTKJLKIBJQV-UHFFFAOYSA-N 0 0 236.059 2.500 10 0 BEAERN C[C@@H](c1ccsc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445185 371669226 /nfs/dbraw/zinc/66/92/26/371669226.db2.gz PYOUGHXWWMOYRB-DTWKUNHWSA-N 0 0 225.313 2.216 10 0 BEAERN CN[C@@H](c1ccc(C)nc1)C(F)(F)F ZINC000162410589 371671822 /nfs/dbraw/zinc/67/18/22/371671822.db2.gz JLQKIISHXOAYJK-QMMMGPOBSA-N 0 0 204.195 2.213 10 0 BEAERN C[C@H]1Sc2ncc(Cl)cc2NC1=O ZINC000162419980 371675556 /nfs/dbraw/zinc/67/55/56/371675556.db2.gz XCMOFEZQKGXSNH-SCSAIBSYSA-N 0 0 214.677 2.168 10 0 BEAERN C[C@@H]1CC[N@@H+]1[C@@H](C(=O)[O-])C1CCCCC1 ZINC000226286181 371639040 /nfs/dbraw/zinc/63/90/40/371639040.db2.gz PBOWTWVZENQJKH-MWLCHTKSSA-N 0 0 211.305 2.114 10 0 BEAERN CC(C)(C)OC(=O)N1CCCC[C@@H](CCO)C1 ZINC000215853217 371647394 /nfs/dbraw/zinc/64/73/94/371647394.db2.gz BJOGZHDWWCKXJB-NSHDSACASA-N 0 0 243.347 2.406 10 0 BEAERN Cc1sc(-c2ccncc2C)nc1N ZINC000131889409 371706211 /nfs/dbraw/zinc/70/62/11/371706211.db2.gz SXEKTUAFZZLTMA-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC[C@H](NO)c1ccc(OC)c(OC)c1 ZINC000132013548 371741546 /nfs/dbraw/zinc/74/15/46/371741546.db2.gz XDPYPQXQLVVZEO-VIFPVBQESA-N 0 0 211.261 2.134 10 0 BEAERN Cc1sc(Cc2ccncc2)nc1N ZINC000131920422 371714560 /nfs/dbraw/zinc/71/45/60/371714560.db2.gz QYVQAFJWGPHYOD-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN Nc1nc2cccnc2n1-c1ccc(F)cc1 ZINC000075947838 181794099 /nfs/dbraw/zinc/79/40/99/181794099.db2.gz OXPYBTHNTVZNER-UHFFFAOYSA-N 0 0 228.230 2.142 10 0 BEAERN Nc1ccc(Br)c(Cl)c1O ZINC000216228439 371722909 /nfs/dbraw/zinc/72/29/09/371722909.db2.gz NRULKMZIJQZMCR-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN Nc1nc2ncccc2cc1-c1cccnc1 ZINC000019723534 181795313 /nfs/dbraw/zinc/79/53/13/181795313.db2.gz OUSHSWGHFKMARD-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN Nc1nccc(-c2ccc(Br)o2)n1 ZINC000131849428 371696335 /nfs/dbraw/zinc/69/63/35/371696335.db2.gz MFCPXJARXPQUTQ-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN COc1cc(N)cc(F)c1Br ZINC000216091350 371696361 /nfs/dbraw/zinc/69/63/61/371696361.db2.gz LNVJWSAJCOUHDU-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN C[C@@H](CO)Sc1ccc(Cl)cn1 ZINC000162504353 371701511 /nfs/dbraw/zinc/70/15/11/371701511.db2.gz LMANUSONMNOYSR-LURJTMIESA-N 0 0 203.694 2.208 10 0 BEAERN Nc1nccnc1OCc1ccccc1Cl ZINC000044549718 181804434 /nfs/dbraw/zinc/80/44/34/181804434.db2.gz DBQPBQZSUADHEC-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN C[C@H](CO)S[C@H](C)C(=O)c1ccccc1 ZINC000162670785 371743398 /nfs/dbraw/zinc/74/33/98/371743398.db2.gz LXGNPAMIWNOHHE-NXEZZACHSA-N 0 0 224.325 2.372 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CCOC(C)(C)C1 ZINC000216433769 371755337 /nfs/dbraw/zinc/75/53/37/371755337.db2.gz KBHLOXPXGFGQSL-QMMMGPOBSA-N 0 0 229.711 2.370 10 0 BEAERN Cc1ccc(CNO)c(Br)c1 ZINC000132196999 371763235 /nfs/dbraw/zinc/76/32/35/371763235.db2.gz LSUDEBYIIIOTAD-UHFFFAOYSA-N 0 0 216.078 2.236 10 0 BEAERN CCCCNC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000132481469 371834203 /nfs/dbraw/zinc/83/42/03/371834203.db2.gz SRIBPXCIOFFZKF-NWDGAFQWSA-N 0 0 240.347 2.140 10 0 BEAERN Cc1cccc(-c2nc(N)ns2)c1F ZINC000132387365 371806740 /nfs/dbraw/zinc/80/67/40/371806740.db2.gz QSUNETIOWNWQDB-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN CCCCNC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000132481866 371834371 /nfs/dbraw/zinc/83/43/71/371834371.db2.gz SRIBPXCIOFFZKF-VXGBXAGGSA-N 0 0 240.347 2.140 10 0 BEAERN C[C@@H]1OCC[C@H]1c1nc(Cl)ns1 ZINC000230113499 371853758 /nfs/dbraw/zinc/85/37/58/371853758.db2.gz WJXOFMVJMIXTKA-CRCLSJGQSA-N 0 0 204.682 2.084 10 0 BEAERN Brc1nnc(NC2CC=CC2)s1 ZINC000230150693 371862161 /nfs/dbraw/zinc/86/21/61/371862161.db2.gz SQZPXMOMCJVLHK-UHFFFAOYSA-N 0 0 246.133 2.431 10 0 BEAERN CC[C@@H]1CCN(C(=O)C(C)(C)Br)C1 ZINC000162858057 371868357 /nfs/dbraw/zinc/86/83/57/371868357.db2.gz HWKSHUUSOADNEZ-MRVPVSSYSA-N 0 0 248.164 2.418 10 0 BEAERN COc1cc(CO)cc(Br)c1F ZINC000216890163 371836841 /nfs/dbraw/zinc/83/68/41/371836841.db2.gz GGIUQKUSQYAHKY-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1nc(NCc2ccccc2)cc(=O)[nH]1 ZINC000162761682 371842469 /nfs/dbraw/zinc/84/24/69/371842469.db2.gz CGJGIMJXDNWABF-UHFFFAOYSA-N 0 0 215.256 2.103 10 0 BEAERN C[C@@H]1CC[N@@H+]1[C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000227566671 371895013 /nfs/dbraw/zinc/89/50/13/371895013.db2.gz QVJKTRYKRBOBMM-CKYFFXLPSA-N 0 0 211.305 2.114 10 0 BEAERN COC(=O)c1cscc1[C@@H]1CCOC1 ZINC000132725265 371907023 /nfs/dbraw/zinc/90/70/23/371907023.db2.gz WOVJKKLQCGIMOX-SSDOTTSWSA-N 0 0 212.270 2.039 10 0 BEAERN Fc1cc(OCC2CCOCC2)ccn1 ZINC000227638541 371911387 /nfs/dbraw/zinc/91/13/87/371911387.db2.gz FOTFBWVTKCPBBJ-UHFFFAOYSA-N 0 0 211.236 2.026 10 0 BEAERN C[C@@H]1SCCN(c2ncc(C=O)s2)[C@H]1C ZINC000132755260 371916343 /nfs/dbraw/zinc/91/63/43/371916343.db2.gz DCVGFCJFMSOJHF-YUMQZZPRSA-N 0 0 242.369 2.286 10 0 BEAERN C[C@H]1SCCN(c2ncc(C=O)s2)[C@H]1C ZINC000132755632 371916736 /nfs/dbraw/zinc/91/67/36/371916736.db2.gz DCVGFCJFMSOJHF-JGVFFNPUSA-N 0 0 242.369 2.286 10 0 BEAERN CC(C)(C)c1ccc([C@@H](O)CO)s1 ZINC000132804192 371924819 /nfs/dbraw/zinc/92/48/19/371924819.db2.gz BJNZNUYRRIBDIV-ZETCQYMHSA-N 0 0 200.303 2.071 10 0 BEAERN C[C@]1([C@@H](NN)c2ccoc2)CCCS1 ZINC000132995929 371966249 /nfs/dbraw/zinc/96/62/49/371966249.db2.gz DPQDIMLIEKXJCK-VHSXEESVSA-N 0 0 212.318 2.070 10 0 BEAERN CCc1c(C)nc2ncc(Br)cn12 ZINC000228022693 371977591 /nfs/dbraw/zinc/97/75/91/371977591.db2.gz BVQSRWGPHAZNMR-UHFFFAOYSA-N 0 0 240.104 2.363 10 0 BEAERN Cn1nc(-c2ccccc2Cl)[nH]c1=S ZINC000228056001 371982876 /nfs/dbraw/zinc/98/28/76/371982876.db2.gz VXFBBAVMRADARI-UHFFFAOYSA-N 0 0 225.704 2.424 10 0 BEAERN C[C@@](O)(CO)c1ccc2c(c1)Cc1ccccc1-2 ZINC000133074991 371984955 /nfs/dbraw/zinc/98/49/55/371984955.db2.gz YGKYMLFJTCSYNM-MRXNPFEDSA-N 0 0 240.302 2.458 10 0 BEAERN Clc1nsnc1N[C@@H]1CCSC1 ZINC000231376642 372022479 /nfs/dbraw/zinc/02/24/79/372022479.db2.gz GTUWFWPTHUWGQK-SCSAIBSYSA-N 0 0 221.738 2.109 10 0 BEAERN Cc1cn([C@H]2CCSC2)c(=S)[nH]1 ZINC000231375085 372022592 /nfs/dbraw/zinc/02/25/92/372022592.db2.gz CHVHDJRTJHELNY-ZETCQYMHSA-N 0 0 200.332 2.158 10 0 BEAERN CCc1cnc([C@@H]2NC[C@@H](C)S2)s1 ZINC000306598173 372043471 /nfs/dbraw/zinc/04/34/71/372043471.db2.gz PGMJULBSJDXRBU-HTRCEHHLSA-N 0 0 214.359 2.429 10 0 BEAERN C[C@@H]1C[C@H]1Nc1cnc(Br)cn1 ZINC000306631322 372047524 /nfs/dbraw/zinc/04/75/24/372047524.db2.gz NGVQPXHKKLVCDX-PHDIDXHHSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@H]1C[C@H]1Nc1cnc(Br)cn1 ZINC000306631320 372047632 /nfs/dbraw/zinc/04/76/32/372047632.db2.gz NGVQPXHKKLVCDX-NTSWFWBYSA-N 0 0 228.093 2.059 10 0 BEAERN Brc1cccnc1N1CC=CC1 ZINC000133434830 372049006 /nfs/dbraw/zinc/04/90/06/372049006.db2.gz JPCHPNSONFTIMK-UHFFFAOYSA-N 0 0 225.089 2.220 10 0 BEAERN CC(=O)c1nc(CN2CCCC2)sc1C ZINC000306683948 372054296 /nfs/dbraw/zinc/05/42/96/372054296.db2.gz YCDMJAIDQCNIIY-UHFFFAOYSA-N 0 0 224.329 2.250 10 0 BEAERN Cc1sc(-c2ccc[nH]2)nc1[C@H](C)O ZINC000306680234 372054738 /nfs/dbraw/zinc/05/47/38/372054738.db2.gz KBDIRENPNWWNHT-LURJTMIESA-N 0 0 208.286 2.500 10 0 BEAERN CC(C)N1C(=S)N=NC1[C@@H]1CCSC1 ZINC000228204102 372003910 /nfs/dbraw/zinc/00/39/10/372003910.db2.gz JSWGDVGURIVAAB-SSDOTTSWSA-N 0 0 229.374 2.368 10 0 BEAERN O=C(Nc1cnc(Cl)cn1)C1CCCC1 ZINC000231208611 372004038 /nfs/dbraw/zinc/00/40/38/372004038.db2.gz KJWZTKORYXBQFI-UHFFFAOYSA-N 0 0 225.679 2.259 10 0 BEAERN CSCC1N=NC(=S)N1C(C)C ZINC000228205543 372004877 /nfs/dbraw/zinc/00/48/77/372004877.db2.gz BGOFKUWAOHONSY-UHFFFAOYSA-N 0 0 203.336 2.011 10 0 BEAERN c1cc(Cc2nncn2C2CC2)cs1 ZINC000228230477 372005633 /nfs/dbraw/zinc/00/56/33/372005633.db2.gz IGOWLYGBWUCMRF-UHFFFAOYSA-N 0 0 205.286 2.265 10 0 BEAERN [NH3+]Cc1c(F)cccc1OC(F)(F)F ZINC000306297180 372007814 /nfs/dbraw/zinc/00/78/14/372007814.db2.gz MKYAKLHWZUQYBP-UHFFFAOYSA-N 0 0 209.142 2.183 10 0 BEAERN COc1ccc(C(=O)c2coc(C)n2)s1 ZINC000307289840 372107996 /nfs/dbraw/zinc/10/79/96/372107996.db2.gz ZMURMHNNFWSNOZ-UHFFFAOYSA-N 0 0 223.253 2.284 10 0 BEAERN Fc1cccc(NC2CSC2)c1F ZINC000307363094 372113808 /nfs/dbraw/zinc/11/38/08/372113808.db2.gz JAYDQTGIYIDSQR-UHFFFAOYSA-N 0 0 201.241 2.492 10 0 BEAERN O=C1NCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000133798826 372114441 /nfs/dbraw/zinc/11/44/41/372114441.db2.gz CELXTWRXKKEXAP-SSDOTTSWSA-N 0 0 229.732 2.470 10 0 BEAERN CC[C@H]1C[C@@H]1c1nnc(Br)o1 ZINC000307376371 372116849 /nfs/dbraw/zinc/11/68/49/372116849.db2.gz BRKFVFNENGAQPS-WHFBIAKZSA-N 0 0 217.066 2.346 10 0 BEAERN C[C@@H](NN1CCCCC1)c1cscn1 ZINC000229133734 372122666 /nfs/dbraw/zinc/12/26/66/372122666.db2.gz JYTYNCXIGJESNH-SECBINFHSA-N 0 0 211.334 2.195 10 0 BEAERN Cn1nccc1NCc1ncc(Cl)s1 ZINC000306733292 372063001 /nfs/dbraw/zinc/06/30/01/372063001.db2.gz SWZIZSGUYKFJIU-UHFFFAOYSA-N 0 0 228.708 2.142 10 0 BEAERN Cc1ccc(N[S@@](C)=O)cc1Br ZINC000306807360 372069072 /nfs/dbraw/zinc/06/90/72/372069072.db2.gz MCSKOBMATWVNEI-GFCCVEGCSA-N 0 0 248.145 2.463 10 0 BEAERN Cc1cnc(CNc2nccnc2Cl)o1 ZINC000231671646 372069981 /nfs/dbraw/zinc/06/99/81/372069981.db2.gz ARTUYFUDPILQSA-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN O[C@@H](c1ccsc1)c1ccncc1F ZINC000133539888 372071274 /nfs/dbraw/zinc/07/12/74/372071274.db2.gz OMCYQHZKRYVJOC-JTQLQIEISA-N 0 0 209.245 2.364 10 0 BEAERN CC1(Nc2ccc(C(N)=S)cc2)CC1 ZINC000228866129 372084960 /nfs/dbraw/zinc/08/49/60/372084960.db2.gz PTPKHDNGOXDCMG-UHFFFAOYSA-N 0 0 206.314 2.285 10 0 BEAERN COC(=O)[C@H](C)c1cc(=O)[nH]c2ccccc21 ZINC000606303153 372092170 /nfs/dbraw/zinc/09/21/70/372092170.db2.gz PALHROHFBZELCT-MRVPVSSYSA-N 0 0 231.251 2.217 10 0 BEAERN OCC1CC(OCc2cccc(F)c2)C1 ZINC000606302328 372092242 /nfs/dbraw/zinc/09/22/42/372092242.db2.gz LGBXKFPIEUQMMZ-UHFFFAOYSA-N 0 0 210.248 2.113 10 0 BEAERN Clc1nc(-c2ccc3c(n2)CCC3)no1 ZINC000307181025 372094455 /nfs/dbraw/zinc/09/44/55/372094455.db2.gz QJRPOXPCGRQQBN-UHFFFAOYSA-N 0 0 221.647 2.274 10 0 BEAERN O=C(C[C@@H]1CCOC1)c1ccncc1Cl ZINC000307226693 372099464 /nfs/dbraw/zinc/09/94/64/372099464.db2.gz BRCXECKVWCCRFF-QMMMGPOBSA-N 0 0 225.675 2.344 10 0 BEAERN N[C@@H](c1ccsn1)c1ccoc1Cl ZINC000307647457 372135400 /nfs/dbraw/zinc/13/54/00/372135400.db2.gz DZYASPZGECPPKR-SSDOTTSWSA-N 0 0 214.677 2.438 10 0 BEAERN COc1ccc(N)c(NCc2ccccc2)n1 ZINC000133961372 372139519 /nfs/dbraw/zinc/13/95/19/372139519.db2.gz GQPDFCAFZMIKBH-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN O=C1NCCCC[C@H]1CCC(F)(F)F ZINC000133967358 372140732 /nfs/dbraw/zinc/14/07/32/372140732.db2.gz DZOZYZXKXSQIOQ-ZETCQYMHSA-N 0 0 209.211 2.245 10 0 BEAERN CN(C)N[C@@H]1CSCc2ccccc21 ZINC000134209817 372180641 /nfs/dbraw/zinc/18/06/41/372180641.db2.gz OKYQZPUFJAXNCX-LLVKDONJSA-N 0 0 208.330 2.041 10 0 BEAERN CC1(C)C[C@H]1CNC1N=NC(=S)S1 ZINC000232944549 372180793 /nfs/dbraw/zinc/18/07/93/372180793.db2.gz HYZHWDIDBREUSO-YFKPBYRVSA-N 0 0 215.347 2.285 10 0 BEAERN C[C@H](NN(C)C)c1c(F)cccc1F ZINC000134047213 372151172 /nfs/dbraw/zinc/15/11/72/372151172.db2.gz QSMHOSXDPAVFAK-ZETCQYMHSA-N 0 0 200.232 2.092 10 0 BEAERN CN(C)NCc1csc2ccccc12 ZINC000134070968 372154374 /nfs/dbraw/zinc/15/43/74/372154374.db2.gz QYQGOOZEDYLSEV-UHFFFAOYSA-N 0 0 206.314 2.468 10 0 BEAERN Cc1c(Cl)ncnc1N[C@@]1(C)CCOC1 ZINC000229486357 372156560 /nfs/dbraw/zinc/15/65/60/372156560.db2.gz PLPXWRWTOXEMLV-JTQLQIEISA-N 0 0 227.695 2.029 10 0 BEAERN CN(C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000134109292 372160671 /nfs/dbraw/zinc/16/06/71/372160671.db2.gz XOLFKDGYZBARKE-NSHDSACASA-N 0 0 210.708 2.394 10 0 BEAERN CN(C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000134163321 372169834 /nfs/dbraw/zinc/16/98/34/372169834.db2.gz TWHPUZOUEOMZRV-SSDOTTSWSA-N 0 0 216.737 2.455 10 0 BEAERN COCCn1ccc2ccc(C=O)cc21 ZINC000229652998 372177930 /nfs/dbraw/zinc/17/79/30/372177930.db2.gz YIOGMOZNZVABSN-UHFFFAOYSA-N 0 0 203.241 2.100 10 0 BEAERN C[C@H](Nc1cccc(F)n1)c1cn[nH]c1 ZINC000229733192 372187997 /nfs/dbraw/zinc/18/79/97/372187997.db2.gz VMUQXYORYNIYDP-ZETCQYMHSA-N 0 0 206.224 2.117 10 0 BEAERN NN[C@@H](c1ccccc1F)C(F)(F)Cl ZINC000229806671 372196496 /nfs/dbraw/zinc/19/64/96/372196496.db2.gz SBYUTWNPGNXSOV-ZETCQYMHSA-N 0 0 224.613 2.162 10 0 BEAERN Cc1cccc([C@H](NN)C(F)(F)Cl)c1 ZINC000229807143 372196626 /nfs/dbraw/zinc/19/66/26/372196626.db2.gz FAFLQZIRYZGYOL-QMMMGPOBSA-N 0 0 220.650 2.331 10 0 BEAERN Cc1ccc(C)c(OCC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000171059493 372283531 /nfs/dbraw/zinc/28/35/31/372283531.db2.gz ORWAKZXJHJAPRV-RYUDHWBXSA-N 0 0 233.311 2.207 10 0 BEAERN O=C(CCO)c1cc(Cl)ccc1F ZINC000083264880 181918420 /nfs/dbraw/zinc/91/84/20/181918420.db2.gz XGOXSCJRUPHTLK-UHFFFAOYSA-N 0 0 202.612 2.044 10 0 BEAERN O=C(CN(CC(F)(F)F)C1CC1)c1ccc[nH]1 ZINC000042775967 181954407 /nfs/dbraw/zinc/95/44/07/181954407.db2.gz NROBTHQOLNVXQI-UHFFFAOYSA-N 0 0 246.232 2.224 10 0 BEAERN C[C@H](O)C(=O)c1cccc2ccccc21 ZINC000140661590 372742828 /nfs/dbraw/zinc/74/28/28/372742828.db2.gz FWYAWAVMEZKFQD-VIFPVBQESA-N 0 0 200.237 2.403 10 0 BEAERN Cc1cc(N)n(-c2nc3cc(C)c(C)cc3[nH]2)n1 ZINC000008549455 372755706 /nfs/dbraw/zinc/75/57/06/372755706.db2.gz ACEDLWCRJWWXSN-UHFFFAOYSA-N 0 0 241.298 2.256 10 0 BEAERN O=C(CN1CCC[C@H]1c1ccco1)N1CCCC1 ZINC000116404733 181963726 /nfs/dbraw/zinc/96/37/26/181963726.db2.gz DYZDCNWBBGGLRU-LBPRGKRZSA-N 0 0 248.326 2.039 10 0 BEAERN COC[C@@H](C)c1nc(C2CCCC2)no1 ZINC000171793796 372771595 /nfs/dbraw/zinc/77/15/95/372771595.db2.gz QXWAUPQOLPHTOA-MRVPVSSYSA-N 0 0 210.277 2.477 10 0 BEAERN Fc1ccc(Br)cc1OC[C@H]1CO1 ZINC000140759875 372780760 /nfs/dbraw/zinc/78/07/60/372780760.db2.gz GRHYGTLYRAOWLM-SSDOTTSWSA-N 0 0 247.063 2.366 10 0 BEAERN O=C(CSCc1ccccc1)Nc1cn[nH]c1 ZINC000035764432 182009147 /nfs/dbraw/zinc/00/91/47/182009147.db2.gz ZVKPVVGEHVROFP-UHFFFAOYSA-N 0 0 247.323 2.282 10 0 BEAERN O=C(C[C@@H]1C=CCC1)N[C@H]1CCCC[C@H]1CO ZINC000300408338 182013857 /nfs/dbraw/zinc/01/38/57/182013857.db2.gz YVDHBHGMXHMYKJ-AGIUHOORSA-N 0 0 237.343 2.010 10 0 BEAERN Cc1cccc2c(=O)oc(=O)n(CCC(C)C)c12 ZINC000039287816 372930619 /nfs/dbraw/zinc/93/06/19/372930619.db2.gz JQXRRLUGCUETDE-UHFFFAOYSA-N 0 0 247.294 2.309 10 0 BEAERN CC(C)N1C(=O)C(=O)c2cccc(Cl)c21 ZINC000039288012 372931548 /nfs/dbraw/zinc/93/15/48/372931548.db2.gz WBYQFABSZFIQMH-UHFFFAOYSA-N 0 0 223.659 2.278 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCSC[C@@H]1C ZINC000172343258 372949489 /nfs/dbraw/zinc/94/94/89/372949489.db2.gz QMIYAZYLCKQQRP-VHSXEESVSA-N 0 0 230.377 2.178 10 0 BEAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCCO1 ZINC000125361573 182038305 /nfs/dbraw/zinc/03/83/05/182038305.db2.gz JTQOXLRSINHRRG-UHFFFAOYSA-N 0 0 245.322 2.272 10 0 BEAERN O=C(Cc1ccccc1)C1(O)CCCCC1 ZINC000006474846 182043274 /nfs/dbraw/zinc/04/32/74/182043274.db2.gz OZTGTXHZVGBUBD-UHFFFAOYSA-N 0 0 218.296 2.493 10 0 BEAERN O=C(Cc1ccccc1)Nc1cccc(CO)c1 ZINC000037975009 182044365 /nfs/dbraw/zinc/04/43/65/182044365.db2.gz QUAROKLSANLNOE-UHFFFAOYSA-N 0 0 241.290 2.360 10 0 BEAERN O=C([O-])[C@H]1CCCCCC[N@@H+]1C/C=C\Cl ZINC000379794388 373063382 /nfs/dbraw/zinc/06/33/82/373063382.db2.gz INGCNWMLPJCKEL-ONRRBMGISA-N 0 0 231.723 2.458 10 0 BEAERN O=C(Cn1ccnc1)c1ccccc1Cl ZINC000013209882 182070704 /nfs/dbraw/zinc/07/07/04/182070704.db2.gz ZWVJLGSRDFLDDU-UHFFFAOYSA-N 0 0 220.659 2.419 10 0 BEAERN O=C(Cn1ccc(=O)cc1)c1c(F)cccc1F ZINC000061628144 182065522 /nfs/dbraw/zinc/06/55/22/182065522.db2.gz HCEUYSKBHAWERN-UHFFFAOYSA-N 0 0 249.216 2.009 10 0 BEAERN O=C(NCc1cc[nH]n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172853897 373095418 /nfs/dbraw/zinc/09/54/18/373095418.db2.gz NCIOVTRSYFSKOA-QWHCGFSZSA-N 0 0 247.342 2.242 10 0 BEAERN O=Cc1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000068945651 373097590 /nfs/dbraw/zinc/09/75/90/373097590.db2.gz WTVSJJBCOYKHAK-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN CSC[C@H]([NH3+])c1occc1Br ZINC000068982987 373101264 /nfs/dbraw/zinc/10/12/64/373101264.db2.gz SUNWXTUKFVXHMT-LURJTMIESA-N 0 0 236.134 2.405 10 0 BEAERN CC[C@@H](O)c1occc1Br ZINC000068981581 373102519 /nfs/dbraw/zinc/10/25/19/373102519.db2.gz VAHJAHOUROWRED-ZCFIWIBFSA-N 0 0 205.051 2.486 10 0 BEAERN Cn1ccnc1-c1cc(C=O)ccc1F ZINC000069028048 373108361 /nfs/dbraw/zinc/10/83/61/373108361.db2.gz LYACIXOLENCIIP-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CCc1nc(C(F)(F)F)ccc1C(=O)OC ZINC000141937040 373072886 /nfs/dbraw/zinc/07/28/86/373072886.db2.gz PGTDNLMCCDFKEX-UHFFFAOYSA-N 0 0 233.189 2.449 10 0 BEAERN O=C(N1C[C@H]2CCCCC[C@@H]21)C(F)(F)F ZINC000378078560 182083120 /nfs/dbraw/zinc/08/31/20/182083120.db2.gz OMSLNICPMAUDEN-SFYZADRCSA-N 0 0 221.222 2.340 10 0 BEAERN O=C(NC1CC1)N1CCC[C@@H]1c1ccco1 ZINC000116405959 182096219 /nfs/dbraw/zinc/09/62/19/182096219.db2.gz GVRQVTSNCKCEFU-SNVBAGLBSA-N 0 0 220.272 2.289 10 0 BEAERN C[C@H](N[C@H]1C[C@@H](C)OC1=O)c1cccc(F)c1 ZINC000040493308 373330227 /nfs/dbraw/zinc/33/02/27/373330227.db2.gz FTDUALZIQLEKSG-PTRXPTGYSA-N 0 0 237.274 2.180 10 0 BEAERN O=C(NC1CCC1)N[C@@H]1CCc2ccccc2C1 ZINC000134461205 182105693 /nfs/dbraw/zinc/10/56/93/182105693.db2.gz SEBFPLWIAUBGKQ-CQSZACIVSA-N 0 0 244.338 2.396 10 0 BEAERN Nc1ccc(Cl)c(O[C@H]2CCOC2)c1 ZINC000069635124 373562210 /nfs/dbraw/zinc/56/22/10/373562210.db2.gz PLSFRUKKJDEHFB-QMMMGPOBSA-N 0 0 213.664 2.090 10 0 BEAERN Cc1ccsc1[C@H](C)n1nccc1N ZINC000069637118 373563493 /nfs/dbraw/zinc/56/34/93/373563493.db2.gz PCSBIQRXIRRLRX-QMMMGPOBSA-N 0 0 207.302 2.445 10 0 BEAERN COC(=O)c1cccc(C#N)c1C(F)(F)F ZINC000380883258 373596101 /nfs/dbraw/zinc/59/61/01/373596101.db2.gz GECJGKLJHIPIFK-UHFFFAOYSA-N 0 0 229.157 2.364 10 0 BEAERN Cn1ccnc1Sc1cccc(F)n1 ZINC000040712363 373631426 /nfs/dbraw/zinc/63/14/26/373631426.db2.gz SDPKZKOOINXNHG-UHFFFAOYSA-N 0 0 209.249 2.105 10 0 BEAERN O=C(NCCC1=CCCC1)c1ccc(=O)[nH]c1 ZINC000131625990 182152192 /nfs/dbraw/zinc/15/21/92/182152192.db2.gz SWKPGDUALDQQQY-UHFFFAOYSA-N 0 0 232.283 2.017 10 0 BEAERN O=C(NCCCF)N1CCC[C@H]1c1ccco1 ZINC000124033567 182166231 /nfs/dbraw/zinc/16/62/31/182166231.db2.gz FMXGUUHDAMVCEH-JTQLQIEISA-N 0 0 240.278 2.486 10 0 BEAERN CN(Cc1cn[nH]c1)C(=O)OCc1ccccc1 ZINC000069763285 373730714 /nfs/dbraw/zinc/73/07/14/373730714.db2.gz CMFCQQQZWYQBIU-UHFFFAOYSA-N 0 0 245.282 2.178 10 0 BEAERN O=C(NCCCn1cccc1)c1ccccc1 ZINC000049028461 182177661 /nfs/dbraw/zinc/17/76/61/182177661.db2.gz XYIJSTTWFZPVJG-UHFFFAOYSA-N 0 0 228.295 2.308 10 0 BEAERN C[C@@H](C1CCCC1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000069805182 373812468 /nfs/dbraw/zinc/81/24/68/373812468.db2.gz SCUOXWHJRIMWCV-MNOVXSKESA-N 0 0 209.333 2.476 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)C1CCCCCC1 ZINC000633869544 373826843 /nfs/dbraw/zinc/82/68/43/373826843.db2.gz ZTDJLTVBNIOSAS-DGCLKSJQSA-N 0 0 239.359 2.329 10 0 BEAERN C[C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633870983 373829971 /nfs/dbraw/zinc/82/99/71/373829971.db2.gz KFDBXQWHXKWCKK-QJPTWQEYSA-N 0 0 241.375 2.431 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)c1ccccc1F ZINC000037982440 182199398 /nfs/dbraw/zinc/19/93/98/182199398.db2.gz TZHVVEGBSNLHCY-JTQLQIEISA-N 0 0 237.274 2.125 10 0 BEAERN CC[C@H](C)n1ncc2c1ncnc2Cl ZINC000040931368 373933566 /nfs/dbraw/zinc/93/35/66/373933566.db2.gz HIUMSUSQTXMMCE-LURJTMIESA-N 0 0 210.668 2.451 10 0 BEAERN CC[C@]1(C)C[C@](N)(C(F)(F)F)CCO1 ZINC000069899886 373973396 /nfs/dbraw/zinc/97/33/96/373973396.db2.gz FZYNDSZUOFWWPN-SFYZADRCSA-N 0 0 211.227 2.225 10 0 BEAERN O=C1CC[S@@](=O)c2c(Cl)cccc21 ZINC000040972963 373974324 /nfs/dbraw/zinc/97/43/24/373974324.db2.gz ZRIVNDICDWYLPO-ZDUSSCGKSA-N 0 0 214.673 2.034 10 0 BEAERN O=C1CC[S@@](=O)c2ccc(Cl)cc21 ZINC000040972951 373974368 /nfs/dbraw/zinc/97/43/68/373974368.db2.gz MLDIEQCNNJAOGO-ZDUSSCGKSA-N 0 0 214.673 2.034 10 0 BEAERN Cc1cc2c(cc1C)[S@](=O)C[C@H](C)C2=O ZINC000040973080 373975155 /nfs/dbraw/zinc/97/51/55/373975155.db2.gz NXSBWYXTZOQADL-VFZGTOFNSA-N 0 0 222.309 2.243 10 0 BEAERN Cc1cc2c(cc1C)[S@@](=O)[C@@H](C)CC2=O ZINC000040973090 373975507 /nfs/dbraw/zinc/97/55/07/373975507.db2.gz LJOSTUCSYYNPTO-BJOHPYRUSA-N 0 0 222.309 2.386 10 0 BEAERN CC(=O)[C@@H](C)n1cc(C(F)(F)F)cn1 ZINC000070019116 374111754 /nfs/dbraw/zinc/11/17/54/374111754.db2.gz JAZZVVHJHWFGFI-RXMQYKEDSA-N 0 0 206.167 2.052 10 0 BEAERN O=C1N=NC(Cc2cccc(Cl)c2)O1 ZINC000070030746 374114123 /nfs/dbraw/zinc/11/41/23/374114123.db2.gz WFUPBDRGAVTVPO-UHFFFAOYSA-N 0 0 210.620 2.019 10 0 BEAERN FC(F)(F)c1n[nH]c(C2CCCC2)n1 ZINC000041161164 374116539 /nfs/dbraw/zinc/11/65/39/374116539.db2.gz ZAXWGOKBURYFTO-UHFFFAOYSA-N 0 0 205.183 2.481 10 0 BEAERN S=C1N=NC(c2ccc(Cl)cn2)O1 ZINC000070657625 374171098 /nfs/dbraw/zinc/17/10/98/374171098.db2.gz QTZNRWICYYQJCP-UHFFFAOYSA-N 0 0 213.649 2.074 10 0 BEAERN Nc1cc(C(=O)c2ccc[nH]2)ccc1Cl ZINC000070671498 374171714 /nfs/dbraw/zinc/17/17/14/374171714.db2.gz CFOWUNLZMPMFKB-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN CCC(C)(C)CNC(=O)[C@@H]1CCCO[C@H]1C ZINC000192195875 205943753 /nfs/dbraw/zinc/94/37/53/205943753.db2.gz HSDIXAMJHHDGDG-WDEREUQCSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1ccn(CCc2scnc2C)n1 ZINC000070687693 374176895 /nfs/dbraw/zinc/17/68/95/374176895.db2.gz NDGRDBYLHTUESJ-UHFFFAOYSA-N 0 0 207.302 2.199 10 0 BEAERN Cc1c(Cl)cnn1CC(=O)c1ccco1 ZINC000070703965 374178460 /nfs/dbraw/zinc/17/84/60/374178460.db2.gz DBUODHOKBXWVLE-UHFFFAOYSA-N 0 0 224.647 2.321 10 0 BEAERN CC[C@](C)(CO)Nc1cc(C)nc(Cl)n1 ZINC000070898146 374226397 /nfs/dbraw/zinc/22/63/97/374226397.db2.gz DHHFTYNMTQPDJS-SNVBAGLBSA-N 0 0 229.711 2.011 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1cccs1 ZINC000382699382 374256523 /nfs/dbraw/zinc/25/65/23/374256523.db2.gz NEKAXTARRKRYTG-UHFFFAOYSA-N 0 0 212.270 2.273 10 0 BEAERN Cc1cnc(CNC(=O)N[C@@H](C)C(C)C)s1 ZINC000174744365 374257688 /nfs/dbraw/zinc/25/76/88/374257688.db2.gz UHLVFYKGVOQJNN-VIFPVBQESA-N 0 0 241.360 2.295 10 0 BEAERN O=C(NCc1ccccc1)c1ccnn1C1CC1 ZINC000075910638 182257525 /nfs/dbraw/zinc/25/75/25/182257525.db2.gz WONLHJOOFFJVJF-UHFFFAOYSA-N 0 0 241.294 2.148 10 0 BEAERN CSCc1noc([C@H]2CCCCC2=O)n1 ZINC000070997119 374239183 /nfs/dbraw/zinc/23/91/83/374239183.db2.gz HHOAEMIELMGRJK-ZETCQYMHSA-N 0 0 226.301 2.159 10 0 BEAERN O=[N+]([O-])c1cccc(C2(CO)CCC2)c1 ZINC000383407195 374286037 /nfs/dbraw/zinc/28/60/37/374286037.db2.gz BQOFTRRKJVJFMG-UHFFFAOYSA-N 0 0 207.229 2.009 10 0 BEAERN Cc1nc2scc(C)n2c1/C=C/[N+](=O)[O-] ZINC000042905290 374298904 /nfs/dbraw/zinc/29/89/04/374298904.db2.gz NWSFWGAHGGXEOQ-ONEGZZNKSA-N 0 0 223.257 2.260 10 0 BEAERN COC[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246621251 374282280 /nfs/dbraw/zinc/28/22/80/374282280.db2.gz GGMJPGAUEMSQSN-UMSGYPCISA-N 0 0 239.359 2.449 10 0 BEAERN O=C(N[C@@H]1CCCOC1)c1cccc2[nH]ccc21 ZINC000109552194 182296012 /nfs/dbraw/zinc/29/60/12/182296012.db2.gz JCAGZVCCMATYBD-SNVBAGLBSA-N 0 0 244.294 2.077 10 0 BEAERN CCCCNC(=O)c1cc(N)c(F)cc1F ZINC000040296931 168861290 /nfs/dbraw/zinc/86/12/90/168861290.db2.gz HHHYTSWFTWZDQS-UHFFFAOYSA-N 0 0 228.242 2.077 10 0 BEAERN CCC(CC)[S@@](=O)Cc1nnc(C)n1CC ZINC000194553782 206093502 /nfs/dbraw/zinc/09/35/02/206093502.db2.gz HXGXZNSCMQTWJV-INIZCTEOSA-N 0 0 243.376 2.044 10 0 BEAERN O=C(N[C@H]1CCc2c1cccc2F)[C@@H]1CCCO1 ZINC000049352588 182340580 /nfs/dbraw/zinc/34/05/80/182340580.db2.gz DDUSJOMASJUXSJ-STQMWFEESA-N 0 0 249.285 2.108 10 0 BEAERN O=C(Nc1ccon1)c1ccc2[nH]ccc2c1 ZINC000104269513 182389448 /nfs/dbraw/zinc/38/94/48/182389448.db2.gz JJEUBNSESXXFLP-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN O=C(Nc1cn[nH]c1)c1cc2ccccc2[nH]1 ZINC000035247731 182391958 /nfs/dbraw/zinc/39/19/58/182391958.db2.gz NAMPVNZEFOPRRO-UHFFFAOYSA-N 0 0 226.239 2.143 10 0 BEAERN O=C(Nc1ccccc1F)c1ccc(=O)oc1 ZINC000000548806 182379720 /nfs/dbraw/zinc/37/97/20/182379720.db2.gz CJZBGUODHQUHBP-UHFFFAOYSA-N 0 0 233.198 2.031 10 0 BEAERN O=C(Nc1ccccn1)[C@H]1C[C@@H]1c1ccco1 ZINC000123374009 182382197 /nfs/dbraw/zinc/38/21/97/182382197.db2.gz UGVVOUOPQWRPOR-UWVGGRQHSA-N 0 0 228.251 2.417 10 0 BEAERN O=C(Nc1c[nH]cc2ncnc1-2)c1ccccc1 ZINC000089203356 182393931 /nfs/dbraw/zinc/39/39/31/182393931.db2.gz RNPPBNVRQRPXCI-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1cnccn1)c1ccc2cc[nH]c2c1 ZINC000104262446 182394608 /nfs/dbraw/zinc/39/46/08/182394608.db2.gz PLXGJWMYDLHUBJ-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1cnco1)OCc1ccccc1 ZINC000095933627 182396062 /nfs/dbraw/zinc/39/60/62/182396062.db2.gz LKXXNDBECNPKJO-UHFFFAOYSA-N 0 0 218.212 2.423 10 0 BEAERN O=C(Nc1n[nH]c2c1CCC2)c1cccc(F)c1 ZINC000033975945 182396597 /nfs/dbraw/zinc/39/65/97/182396597.db2.gz XSCWSMPTOSQSMF-UHFFFAOYSA-N 0 0 245.257 2.290 10 0 BEAERN O=C([O-])C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000041282706 182426179 /nfs/dbraw/zinc/42/61/79/182426179.db2.gz IUOQURVGSDGQSV-UHFFFAOYSA-N 0 0 239.702 2.046 10 0 BEAERN O=C([O-])C1(C2CCCCC2)CC[NH2+]CC1 ZINC000082953680 182422808 /nfs/dbraw/zinc/42/28/08/182422808.db2.gz GMYBGEFXIIIYHX-UHFFFAOYSA-N 0 0 211.305 2.021 10 0 BEAERN O=C([O-])[C@H](CC1CCCCC1)[NH2+]C1CC1 ZINC000077304698 182525891 /nfs/dbraw/zinc/52/58/91/182525891.db2.gz BHNSYYAIOJPTHV-NSHDSACASA-N 0 0 211.305 2.162 10 0 BEAERN O=C([O-])[C@@H]1[NH2+]CCc2c(Cl)cc(Cl)cc21 ZINC000082786195 182522957 /nfs/dbraw/zinc/52/29/57/182522957.db2.gz HFJIEIYJKVDVIV-SECBINFHSA-N 0 0 246.093 2.265 10 0 BEAERN CCOC(=O)Cc1cc(Cl)ncc1C ZINC000095763965 170235437 /nfs/dbraw/zinc/23/54/37/170235437.db2.gz XPIDQECNQHEUSM-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN O=C(c1cccnc1)N1N=CC[C@@H]1c1ccco1 ZINC000003785738 182683219 /nfs/dbraw/zinc/68/32/19/182683219.db2.gz LLVYEYIQEXJSCQ-LLVKDONJSA-N 0 0 241.250 2.248 10 0 BEAERN O=C1CC[C@@]2(C(F)(F)F)Oc3ccccc3N12 ZINC000095930742 182750566 /nfs/dbraw/zinc/75/05/66/182750566.db2.gz XXNWXBPZMQLIFJ-JTQLQIEISA-N 0 0 243.184 2.464 10 0 BEAERN O=C1CC[C@H](c2ccc(Cl)s2)N1 ZINC000057937808 182753757 /nfs/dbraw/zinc/75/37/57/182753757.db2.gz GKEVBNBZPHQLRV-RXMQYKEDSA-N 0 0 201.678 2.353 10 0 BEAERN O=C1CC[C@H](c2ccc(Cl)s2)CN1 ZINC000057497578 182754167 /nfs/dbraw/zinc/75/41/67/182754167.db2.gz OGJSPPDLYXMNEK-LURJTMIESA-N 0 0 215.705 2.395 10 0 BEAERN O=C1CC[C@]2(C(F)(F)F)Nc3ccccc3N12 ZINC000095930735 182754520 /nfs/dbraw/zinc/75/45/20/182754520.db2.gz TWGSAPKXTKTLJO-JTQLQIEISA-N 0 0 242.200 2.498 10 0 BEAERN O=C1CCc2cc([C@H](O)c3ccco3)ccc2N1 ZINC000040248693 182755851 /nfs/dbraw/zinc/75/58/51/182755851.db2.gz PGVHRPUVKKCADH-AWEZNQCLSA-N 0 0 243.262 2.246 10 0 BEAERN O=C(c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000035359395 182755905 /nfs/dbraw/zinc/75/59/05/182755905.db2.gz ADFPESFEXLMOLJ-UHFFFAOYSA-N 0 0 233.242 2.303 10 0 BEAERN O=C1CCOc2c(F)c(F)c(F)cc21 ZINC000075882193 182745298 /nfs/dbraw/zinc/74/52/98/182745298.db2.gz OHMKBGVBXRPXJD-UHFFFAOYSA-N 0 0 202.131 2.069 10 0 BEAERN O=C1COc2c(Cl)c(Cl)ccc2N1 ZINC000062526702 182768910 /nfs/dbraw/zinc/76/89/10/182768910.db2.gz OROMHDJYSRVSHZ-UHFFFAOYSA-N 0 0 218.039 2.324 10 0 BEAERN O=c1c2ccc[nH]c-2cn1CCc1ccccc1 ZINC000089223354 182846886 /nfs/dbraw/zinc/84/68/86/182846886.db2.gz UBKVXNNIXWORLQ-UHFFFAOYSA-N 0 0 238.290 2.280 10 0 BEAERN O=C1OCC2(CCCC2)N1c1ncccc1F ZINC000098096604 182828163 /nfs/dbraw/zinc/82/81/63/182828163.db2.gz XJTGLWUGVPHUDN-UHFFFAOYSA-N 0 0 236.246 2.490 10 0 BEAERN O=Cc1cc2cnc(Br)cc2o1 ZINC000082360220 182864096 /nfs/dbraw/zinc/86/40/96/182864096.db2.gz YSLADERKAWOYKM-UHFFFAOYSA-N 0 0 226.029 2.403 10 0 BEAERN O=Cc1cncn1Cc1c(F)cccc1F ZINC000021984563 182875341 /nfs/dbraw/zinc/87/53/41/182875341.db2.gz KYJGSUDPPQJWKM-UHFFFAOYSA-N 0 0 222.194 2.022 10 0 BEAERN O=NN(C1=NCCS1)C1CCCCC1 ZINC000033884256 182877363 /nfs/dbraw/zinc/87/73/63/182877363.db2.gz OSLDVNIRADADBD-UHFFFAOYSA-N 0 0 213.306 2.405 10 0 BEAERN O=Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000039247944 182877592 /nfs/dbraw/zinc/87/75/92/182877592.db2.gz SCPHDQQKEGQAHW-UHFFFAOYSA-N 0 0 208.604 2.203 10 0 BEAERN O=c1[nH]ccc2ccc(OC(F)(F)F)cc21 ZINC000033358948 182976879 /nfs/dbraw/zinc/97/68/79/182976879.db2.gz AOWUFZTWDGOIAL-UHFFFAOYSA-N 0 0 229.157 2.427 10 0 BEAERN CCCC[C@@H](CC)COCC[C@@H]([NH2+]C)C(=O)[O-] ZINC000062543052 168959518 /nfs/dbraw/zinc/95/95/18/168959518.db2.gz PXPQVAMITBEMLA-VXGBXAGGSA-N 0 0 245.363 2.282 10 0 BEAERN O=c1ccc2cc(-c3ccccn3)cc(O)c2[nH]1 ZINC000026499293 183001065 /nfs/dbraw/zinc/00/10/65/183001065.db2.gz JGXFKSZAAFOGHG-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN O=c1ccc2cc(O)c3c(c2o1)CCCC3 ZINC000040424359 183001475 /nfs/dbraw/zinc/00/14/75/183001475.db2.gz ODRDUNINBFQLQQ-UHFFFAOYSA-N 0 0 216.236 2.377 10 0 BEAERN O=c1cccc(-c2cc(O)ccc2Cl)[nH]1 ZINC000065339278 183002656 /nfs/dbraw/zinc/00/26/56/183002656.db2.gz XHMZQYMDVGKFIS-UHFFFAOYSA-N 0 0 221.643 2.401 10 0 BEAERN O=c1ccn(-c2ccc(Cl)cc2)cc1 ZINC000000226093 183003961 /nfs/dbraw/zinc/00/39/61/183003961.db2.gz MSMMQUNYFGVACA-UHFFFAOYSA-N 0 0 205.644 2.491 10 0 BEAERN O=c1cnc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000044117519 183006435 /nfs/dbraw/zinc/00/64/35/183006435.db2.gz XKJDOWFHFVALAB-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1nc(-c2ccc(Cl)cc2)cc[nH]1 ZINC000095080293 183008204 /nfs/dbraw/zinc/00/82/04/183008204.db2.gz QVMZZINUMSPAPF-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1oc(-c2ccccc2Cl)ns1 ZINC000078161958 183011648 /nfs/dbraw/zinc/01/16/48/183011648.db2.gz JBXYULKSXBGDJI-UHFFFAOYSA-N 0 0 213.645 2.417 10 0 BEAERN O=c1oc(=O)n(CC2CCCC2)c2ccccc12 ZINC000062821874 183011670 /nfs/dbraw/zinc/01/16/70/183011670.db2.gz QLCNHNWHEKBLDY-UHFFFAOYSA-N 0 0 245.278 2.145 10 0 BEAERN OC1(c2ccc(Br)cc2)CC1 ZINC000054346804 183022861 /nfs/dbraw/zinc/02/28/61/183022861.db2.gz CKWRAYGCDLYUSQ-UHFFFAOYSA-N 0 0 213.074 2.431 10 0 BEAERN O=C1NC(=S)NC1=CC1CCCCC1 ZINC000073298124 183025277 /nfs/dbraw/zinc/02/52/77/183025277.db2.gz NPFVCNBXUOLQFH-VURMDHGXSA-N 0 0 210.302 2.295 10 0 BEAERN O=C1CC[C@@H](c2nc(CC3CCC3)no2)CN1 ZINC000329002426 183025474 /nfs/dbraw/zinc/02/54/74/183025474.db2.gz LPPWHNPQGHWYBG-SECBINFHSA-N 0 0 235.287 2.246 10 0 BEAERN OCCCCCOc1cccnc1Cl ZINC000083454815 183049330 /nfs/dbraw/zinc/04/93/30/183049330.db2.gz RGTWPXWWIJNXSR-UHFFFAOYSA-N 0 0 215.680 2.276 10 0 BEAERN OCC1(Nc2cccc(F)c2)CCSCC1 ZINC000041058912 183039399 /nfs/dbraw/zinc/03/93/99/183039399.db2.gz PVSKSGWVKZRSDG-UHFFFAOYSA-N 0 0 241.331 2.496 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000302389334 168983457 /nfs/dbraw/zinc/98/34/57/168983457.db2.gz NPTHUXQISUIGLU-XQQFMLRXSA-N 0 0 241.375 2.480 10 0 BEAERN OCCCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000137447304 183056897 /nfs/dbraw/zinc/05/68/97/183056897.db2.gz PITWMBAKZMXPJM-UHFFFAOYSA-N 0 0 248.301 2.048 10 0 BEAERN OCCCn1cnc2cc(C(F)(F)F)ccc21 ZINC000040402110 183064336 /nfs/dbraw/zinc/06/43/36/183064336.db2.gz CNNREBDXJDJMKQ-UHFFFAOYSA-N 0 0 244.216 2.438 10 0 BEAERN CCCC[C@H](C)C(=O)N1CCCC[C@H](CO)C1 ZINC000374392077 168979987 /nfs/dbraw/zinc/97/99/87/168979987.db2.gz YKGXDODNKCQJAK-STQMWFEESA-N 0 0 241.375 2.434 10 0 BEAERN OC[C@@H](O)CSCc1ccc2ccccc2c1 ZINC000177411531 183112853 /nfs/dbraw/zinc/11/28/53/183112853.db2.gz JXCWJWUTFGLLKW-CQSZACIVSA-N 0 0 248.347 2.426 10 0 BEAERN OC[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1 ZINC000224413977 183118195 /nfs/dbraw/zinc/11/81/95/183118195.db2.gz JKOLMBXIWYXNKS-WCBMZHEXSA-N 0 0 241.722 2.093 10 0 BEAERN CCCC[C@H]([NH2+]Cc1ccc(O)cc1)C(=O)[O-] ZINC000075423598 169011188 /nfs/dbraw/zinc/01/11/88/169011188.db2.gz JIRPIPAXHUJUFS-LBPRGKRZSA-N 0 0 237.299 2.125 10 0 BEAERN OC[C@@H](NCC(F)(F)F)c1ccc(F)cc1 ZINC000038111790 183108093 /nfs/dbraw/zinc/10/80/93/183108093.db2.gz VASJPQKGSVTLRV-SECBINFHSA-N 0 0 237.196 2.011 10 0 BEAERN OC[C@@H](Nc1ccc(F)cc1)C1CCOCC1 ZINC000052179683 183108946 /nfs/dbraw/zinc/10/89/46/183108946.db2.gz VTPTYKYTJCACIJ-CYBMUJFWSA-N 0 0 239.290 2.025 10 0 BEAERN OC[C@@H](Nc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000038113824 183109411 /nfs/dbraw/zinc/10/94/11/183109411.db2.gz UYODQZJUKCPYQP-JOYOIKCWSA-N 0 0 241.718 2.149 10 0 BEAERN CCCCc1cc(OCC)n2nccc2n1 ZINC000039100559 169018006 /nfs/dbraw/zinc/01/80/06/169018006.db2.gz JHWXLPDZSURLEN-UHFFFAOYSA-N 0 0 219.288 2.471 10 0 BEAERN CCCCc1c(=O)[n-]oc1C1CC[NH2+]CC1 ZINC000013473967 169018337 /nfs/dbraw/zinc/01/83/37/169018337.db2.gz DZSIUIWHCOIVTF-UHFFFAOYSA-N 0 0 224.304 2.190 10 0 BEAERN OC[C@H](Nc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000038113821 183142581 /nfs/dbraw/zinc/14/25/81/183142581.db2.gz UYODQZJUKCPYQP-SKDRFNHKSA-N 0 0 241.718 2.149 10 0 BEAERN OC[C@H](Nc1ccncc1Cl)c1ccco1 ZINC000301595378 183142715 /nfs/dbraw/zinc/14/27/15/183142715.db2.gz YWZJXKKNNYYBHA-JTQLQIEISA-N 0 0 238.674 2.474 10 0 BEAERN OC[C@@H]1OCCc2c(Br)cccc21 ZINC000113516409 183130822 /nfs/dbraw/zinc/13/08/22/183130822.db2.gz JNBDTYWSSUFSSN-JTQLQIEISA-N 0 0 243.100 2.055 10 0 BEAERN CCCCn1cc(C(=O)N[C@@H]2C[C@@H]2C)c(C)n1 ZINC000184848470 169035471 /nfs/dbraw/zinc/03/54/71/169035471.db2.gz PJUVSIUVKIEEMG-JOYOIKCWSA-N 0 0 235.331 2.130 10 0 BEAERN CCCCn1nnnc1-c1ccc(C)c(N)c1 ZINC000042015002 169040394 /nfs/dbraw/zinc/04/03/94/169040394.db2.gz KIEMNPDAROYFSP-UHFFFAOYSA-N 0 0 231.303 2.031 10 0 BEAERN OCc1c[nH]c2c1cccc2Br ZINC000059731627 183160401 /nfs/dbraw/zinc/16/04/01/183160401.db2.gz ZPXMRMCHYPUOKZ-UHFFFAOYSA-N 0 0 226.073 2.423 10 0 BEAERN OCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000036449436 183160550 /nfs/dbraw/zinc/16/05/50/183160550.db2.gz PSBSTRRGNORRCZ-UHFFFAOYSA-N 0 0 232.327 2.370 10 0 BEAERN OCc1c[nH]c([C@@H]2CCCc3ccccc32)n1 ZINC000063158686 183160554 /nfs/dbraw/zinc/16/05/54/183160554.db2.gz OFUVKNWBYRDLDR-CYBMUJFWSA-N 0 0 228.295 2.370 10 0 BEAERN OCc1cc(F)c(C(F)(F)F)cc1F ZINC000098095453 183161430 /nfs/dbraw/zinc/16/14/30/183161430.db2.gz DFKGMFYRTSZAEB-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN OCc1cc2c(cc1OC1CCCC1)OCO2 ZINC000042876988 183162113 /nfs/dbraw/zinc/16/21/13/183162113.db2.gz SNNFRZUALWAFGC-UHFFFAOYSA-N 0 0 236.267 2.229 10 0 BEAERN OCc1ccc(CCOCC2CC2)cc1 ZINC000116132073 183163536 /nfs/dbraw/zinc/16/35/36/183163536.db2.gz PCEGMPLXYKKKAL-UHFFFAOYSA-N 0 0 206.285 2.148 10 0 BEAERN OCc1ccc(COc2ccc(F)cc2)o1 ZINC000041239341 183164258 /nfs/dbraw/zinc/16/42/58/183164258.db2.gz UJDCSYPVWIVVIA-UHFFFAOYSA-N 0 0 222.215 2.490 10 0 BEAERN CCCN(C(=O)c1cc(OC)ccc1N)C1CC1 ZINC000037846897 169046379 /nfs/dbraw/zinc/04/63/79/169046379.db2.gz AUDXYRGVZOQXEB-UHFFFAOYSA-N 0 0 248.326 2.292 10 0 BEAERN CCCN(C(=O)c1sc(N)nc1C)C(C)C ZINC000055171256 169048752 /nfs/dbraw/zinc/04/87/52/169048752.db2.gz CAMCTTGBHKDVBE-UHFFFAOYSA-N 0 0 241.360 2.294 10 0 BEAERN O[C@@H](Cn1ccnc1)c1ccccc1Cl ZINC000039280669 183184337 /nfs/dbraw/zinc/18/43/37/183184337.db2.gz OBLBFDFNHBICDK-NSHDSACASA-N 0 0 222.675 2.270 10 0 BEAERN O[C@@H](CNc1cccc(F)n1)C1CCCC1 ZINC000301268907 183181738 /nfs/dbraw/zinc/18/17/38/183181738.db2.gz GGUQTTBWANNDOD-JTQLQIEISA-N 0 0 224.279 2.184 10 0 BEAERN OCc1ccc(OCc2ccccc2F)nc1 ZINC000069285118 183166085 /nfs/dbraw/zinc/16/60/85/183166085.db2.gz DOXVPIRIYIEGAA-UHFFFAOYSA-N 0 0 233.242 2.292 10 0 BEAERN OCc1ccc2ccc(Br)cc2n1 ZINC000062618547 183166925 /nfs/dbraw/zinc/16/69/25/183166925.db2.gz JXFSVIHOSORPKF-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1ccc2cccc(Br)c2n1 ZINC000062618545 183167528 /nfs/dbraw/zinc/16/75/28/183167528.db2.gz HYKTWFGWCLNZQW-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1cccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2)c1 ZINC000072236182 183167567 /nfs/dbraw/zinc/16/75/67/183167567.db2.gz AKPOFPARZKGFCH-XRGAULLZSA-N 0 0 241.334 2.437 10 0 BEAERN OCc1cnc(C2CCSCC2)s1 ZINC000258106485 183168853 /nfs/dbraw/zinc/16/88/53/183168853.db2.gz NVNAAHAYLNVPIE-UHFFFAOYSA-N 0 0 215.343 2.246 10 0 BEAERN OCc1cnc(-c2cccc(Cl)c2)nc1 ZINC000054857127 183169104 /nfs/dbraw/zinc/16/91/04/183169104.db2.gz RHKQVGMJQPZTFQ-UHFFFAOYSA-N 0 0 220.659 2.289 10 0 BEAERN O[C@H](c1nccs1)c1ccc(F)cc1 ZINC000075871950 183184697 /nfs/dbraw/zinc/18/46/97/183184697.db2.gz NZGNNHSXKISHCT-VIFPVBQESA-N 0 0 209.245 2.364 10 0 BEAERN OCc1n[nH]c2cc(C(F)(F)F)ccc21 ZINC000089195950 183170179 /nfs/dbraw/zinc/17/01/79/183170179.db2.gz VOZDCDAVSROFGA-UHFFFAOYSA-N 0 0 216.162 2.074 10 0 BEAERN OCn1nc(-c2ccccc2)sc1=S ZINC000196614124 183171220 /nfs/dbraw/zinc/17/12/20/183171220.db2.gz RKPJAMRRVQOJTI-UHFFFAOYSA-N 0 0 224.310 2.291 10 0 BEAERN O[C@H]1CC[C@H](Nc2cnc3ccccc3n2)CC1 ZINC000100279893 183203468 /nfs/dbraw/zinc/20/34/68/183203468.db2.gz FNUYYAKDNOIWDE-PHIMTYICSA-N 0 0 243.310 2.345 10 0 BEAERN O[C@@H]1CC[C@H](Nc2ncccc2Cl)C1 ZINC000306449358 183204603 /nfs/dbraw/zinc/20/46/03/183204603.db2.gz YEVALJNWHNZUES-JGVFFNPUSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@@H](c1ccccc1F)c1ncccc1F ZINC000075872663 183186193 /nfs/dbraw/zinc/18/61/93/183186193.db2.gz IAIKKDVAKSLJSQ-LBPRGKRZSA-N 0 0 221.206 2.442 10 0 BEAERN O[C@@H]1C(Br)=C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000071786669 183186342 /nfs/dbraw/zinc/18/63/42/183186342.db2.gz RHISLOQPABJYQQ-VGVVQYNPSA-N 0 0 227.101 2.078 10 0 BEAERN O[C@@H](c1cnc2ccccc2c1)c1ncccn1 ZINC000037761710 183186701 /nfs/dbraw/zinc/18/67/01/183186701.db2.gz RYTGTOORFQAYKL-ZDUSSCGKSA-N 0 0 237.262 2.107 10 0 BEAERN O[C@@H](c1ccoc1)c1cc2ccncc2[nH]1 ZINC000143531708 183186927 /nfs/dbraw/zinc/18/69/27/183186927.db2.gz ITGWAODVACZYNL-LBPRGKRZSA-N 0 0 214.224 2.238 10 0 BEAERN O[C@@H]1C=C(C(F)(F)F)NC=C1c1ccccc1 ZINC000101027447 183186993 /nfs/dbraw/zinc/18/69/93/183186993.db2.gz HPRWDAPSXIPDCI-SNVBAGLBSA-N 0 0 241.212 2.438 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1cncc(Cl)n1 ZINC000077208479 183188352 /nfs/dbraw/zinc/18/83/52/183188352.db2.gz XKDSRBCVHYOVKW-RKDXNWHRSA-N 0 0 241.722 2.093 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1c(F)cccc1F ZINC000037690040 183195503 /nfs/dbraw/zinc/19/55/03/183195503.db2.gz NVEPABFYZQEWBQ-VHSXEESVSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000277123108 183195542 /nfs/dbraw/zinc/19/55/42/183195542.db2.gz OPXZQERQIRCGBT-DTWKUNHWSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@H](c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000044353396 183229582 /nfs/dbraw/zinc/22/95/82/183229582.db2.gz UJRILTPQSJXTEE-SNVBAGLBSA-N 0 0 248.200 2.444 10 0 BEAERN O[C@H](c1ccc2ncccc2c1)[C@H]1CCOC1 ZINC000069051581 183229708 /nfs/dbraw/zinc/22/97/08/183229708.db2.gz TYWXLFDJIKGKSR-GXTWGEPZSA-N 0 0 229.279 2.305 10 0 BEAERN O[C@H]1CCC=C[C@]1(O)c1ccc(Cl)cc1 ZINC000021995595 183230476 /nfs/dbraw/zinc/23/04/76/183230476.db2.gz ZIKGSULOMNYSGC-RYUDHWBXSA-N 0 0 224.687 2.239 10 0 BEAERN O[C@@H](c1cc2ccncc2[nH]1)c1ccccn1 ZINC000143380406 183230502 /nfs/dbraw/zinc/23/05/02/183230502.db2.gz FCJRJZUTEANELF-CYBMUJFWSA-N 0 0 225.251 2.040 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ncccc1Cl ZINC000277017474 183238731 /nfs/dbraw/zinc/23/87/31/183238731.db2.gz BZJKZGITXRMYKL-BDAKNGLRSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000077307786 183238930 /nfs/dbraw/zinc/23/89/30/183238930.db2.gz OYEMDWUAHYVOKT-QMMMGPOBSA-N 0 0 215.655 2.050 10 0 BEAERN O[C@H]1CCOC[C@H]1Cc1ccccc1Cl ZINC000095078349 183241290 /nfs/dbraw/zinc/24/12/90/183241290.db2.gz VCXJTBZLSCTMRP-PWSUYJOCSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@H]1CCc2c1cccc2OCc1ncccn1 ZINC000062800844 183242167 /nfs/dbraw/zinc/24/21/67/183242167.db2.gz TUCQQNNHWYNYEL-LBPRGKRZSA-N 0 0 242.278 2.035 10 0 BEAERN O[C@H]1CC[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000070771834 183242232 /nfs/dbraw/zinc/24/22/32/183242232.db2.gz VYIVVAWETQPIRG-KOLCDFICSA-N 0 0 220.268 2.086 10 0 BEAERN CCCN(CC)C(=O)c1cc(F)ccc1N ZINC000037095087 169117946 /nfs/dbraw/zinc/11/79/46/169117946.db2.gz HJOGLHCPRUTGKH-UHFFFAOYSA-N 0 0 224.279 2.280 10 0 BEAERN CCCN(CC)C(=O)c1cccc(F)c1N ZINC000054207194 169118550 /nfs/dbraw/zinc/11/85/50/169118550.db2.gz OYFUPIRPFUGBLR-UHFFFAOYSA-N 0 0 224.279 2.280 10 0 BEAERN CCCN(CC)C(=O)c1cccc(OC)c1O ZINC000037023383 169118623 /nfs/dbraw/zinc/11/86/23/169118623.db2.gz XSCHRTVWXGGRTI-UHFFFAOYSA-N 0 0 237.299 2.273 10 0 BEAERN O[C@H]1COCc2ccc(Br)cc21 ZINC000095932894 183246258 /nfs/dbraw/zinc/24/62/58/183246258.db2.gz NUQIXXRSWGBNBJ-VIFPVBQESA-N 0 0 229.073 2.013 10 0 BEAERN O[C@H]1C[C@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415186 183249371 /nfs/dbraw/zinc/24/93/71/183249371.db2.gz BFULYIOJZDQMSS-MFKMUULPSA-N 0 0 214.268 2.173 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1ccc(F)cc1F ZINC000037689919 183237134 /nfs/dbraw/zinc/23/71/34/183237134.db2.gz DWLZDWSDYYWWOK-QWRGUYRKSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCCc2c1ccn2[C@@H]1CCCC[C@@H]1O ZINC000052009109 183237575 /nfs/dbraw/zinc/23/75/75/183237575.db2.gz BJWOTEYXWKVAOM-RDBSUJKOSA-N 0 0 235.327 2.334 10 0 BEAERN O[C@H]1CCC[C@H]1Oc1cccc2c1NCCC2 ZINC000038056357 183237677 /nfs/dbraw/zinc/23/76/77/183237677.db2.gz JNECUULLKKOENU-NWDGAFQWSA-N 0 0 233.311 2.337 10 0 BEAERN O=c1ccc(-n2ccc3ccccc32)n[nH]1 ZINC000029571492 183266560 /nfs/dbraw/zinc/26/65/60/183266560.db2.gz XUMDZDHLUHCECA-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN CCCN(CC)c1ccc2c(c1)NC(=O)C2=O ZINC000036193247 169134210 /nfs/dbraw/zinc/13/42/10/169134210.db2.gz DUISTRZDZZPOCB-UHFFFAOYSA-N 0 0 232.283 2.058 10 0 BEAERN CCCN(CCC(=O)NCC)c1ccccc1N ZINC000063113771 169137505 /nfs/dbraw/zinc/13/75/05/169137505.db2.gz BNZLKDOHFMOHKF-UHFFFAOYSA-N 0 0 249.358 2.011 10 0 BEAERN Oc1ccc(OCCCn2cccn2)cc1 ZINC000059362995 183277389 /nfs/dbraw/zinc/27/73/89/183277389.db2.gz MFFJEHPZEJTQNV-UHFFFAOYSA-N 0 0 218.256 2.058 10 0 BEAERN CCCN(CCC)C(=O)[C@H]1CC[C@H](C)O1 ZINC000121852459 169144386 /nfs/dbraw/zinc/14/43/86/169144386.db2.gz ONISZZWWZCGMQN-WDEREUQCSA-N 0 0 213.321 2.203 10 0 BEAERN CCCN(C[C@H]1CCCCO1)C(=O)NC(C)C ZINC000106511605 169173431 /nfs/dbraw/zinc/17/34/31/169173431.db2.gz CTBUZIYPMDBMNQ-GFCCVEGCSA-N 0 0 242.363 2.386 10 0 BEAERN O=c1cccc(-c2ccc(F)cc2O)[nH]1 ZINC000065339032 183286430 /nfs/dbraw/zinc/28/64/30/183286430.db2.gz HSUMEULBNFBILH-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN O=c1nc2ccccc2c(Br)[nH]1 ZINC000072192170 183306870 /nfs/dbraw/zinc/30/68/70/183306870.db2.gz ARAWRJRLPGSPQK-UHFFFAOYSA-N 0 0 225.045 2.098 10 0 BEAERN CCCN(c1ccc(N)c2nonc21)C(C)C ZINC000035675668 169182457 /nfs/dbraw/zinc/18/24/57/169182457.db2.gz AREDUNDFNFNIOB-UHFFFAOYSA-N 0 0 234.303 2.430 10 0 BEAERN CCCN1C(=O)CN(c2ccc(C)cc2)C1=O ZINC000037606611 169183676 /nfs/dbraw/zinc/18/36/76/169183676.db2.gz RSZOUQXELXIEQZ-UHFFFAOYSA-N 0 0 232.283 2.174 10 0 BEAERN [O-][n+]1ccc(C(F)(F)F)cc1-c1ccccn1 ZINC000238809030 183318595 /nfs/dbraw/zinc/31/85/95/183318595.db2.gz HTBVUFGQCFRCLB-UHFFFAOYSA-N 0 0 240.184 2.401 10 0 BEAERN [O-][n+]1ccccc1-c1cccc(Cl)n1 ZINC000035653882 183318600 /nfs/dbraw/zinc/31/86/00/183318600.db2.gz QQMWXONDJNRZAM-UHFFFAOYSA-N 0 0 206.632 2.035 10 0 BEAERN [O-][n+]1cc(Br)cc(Cl)c1Cl ZINC000077254398 183319200 /nfs/dbraw/zinc/31/92/00/183319200.db2.gz VEGMMVIMXZHNCU-UHFFFAOYSA-N 0 0 242.887 2.389 10 0 BEAERN c1cc(-c2noc(CN3CCCCC3)n2)co1 ZINC000105607335 183333242 /nfs/dbraw/zinc/33/32/42/183333242.db2.gz WNJLFACMFKYRSM-UHFFFAOYSA-N 0 0 233.271 2.316 10 0 BEAERN S=C(Oc1ccccc1)n1ccnc1 ZINC000039124787 183312541 /nfs/dbraw/zinc/31/25/41/183312541.db2.gz KSEUJDGVAVFITI-UHFFFAOYSA-N 0 0 204.254 2.095 10 0 BEAERN CCCNC(=O)CNc1ccc(SC)cc1 ZINC000020043788 169230828 /nfs/dbraw/zinc/23/08/28/169230828.db2.gz OVPQSGQDAGPGLV-UHFFFAOYSA-N 0 0 238.356 2.347 10 0 BEAERN CCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695368 169213485 /nfs/dbraw/zinc/21/34/85/169213485.db2.gz HIGYKKRYZGPVGB-UHFFFAOYSA-N 0 0 221.275 2.384 10 0 BEAERN c1cc(CNc2nnc(C3CC3)o2)co1 ZINC000134430293 183354802 /nfs/dbraw/zinc/35/48/02/183354802.db2.gz DQIHFJKNJHVAPN-UHFFFAOYSA-N 0 0 205.217 2.152 10 0 BEAERN CCCNC(=O)CCn1c(C)ccc1C ZINC000045087778 169218053 /nfs/dbraw/zinc/21/80/53/169218053.db2.gz XBUDEDNARNUJKF-UHFFFAOYSA-N 0 0 208.305 2.021 10 0 BEAERN c1n[nH]c2ccc(-n3cc(C4CC4)nn3)cc12 ZINC000066074593 183363377 /nfs/dbraw/zinc/36/33/77/183363377.db2.gz RDYFJWQIHCYPRF-UHFFFAOYSA-N 0 0 225.255 2.021 10 0 BEAERN c1cc(OCC2CCC2)cc2n[nH]nc12 ZINC000040542568 183365648 /nfs/dbraw/zinc/36/56/48/183365648.db2.gz FKLBQCWXSJYAQK-UHFFFAOYSA-N 0 0 203.245 2.137 10 0 BEAERN c1noc(-c2ccccc2)c1CN1CCOCC1 ZINC000064551342 183385621 /nfs/dbraw/zinc/38/56/21/183385621.db2.gz YKMMXANHRRHBOK-UHFFFAOYSA-N 0 0 244.294 2.174 10 0 BEAERN CCCNC(=O)Nc1c(C)ccc(N)c1C ZINC000020256309 169239283 /nfs/dbraw/zinc/23/92/83/169239283.db2.gz QRASKJRPASEPKS-UHFFFAOYSA-N 0 0 221.304 2.417 10 0 BEAERN CCCNC(=O)c1csc(-c2cccnc2)n1 ZINC000062617627 169253280 /nfs/dbraw/zinc/25/32/80/169253280.db2.gz UGIDJLPHIMCHDN-UHFFFAOYSA-N 0 0 247.323 2.345 10 0 BEAERN CCCN[C@H](C(=O)OC)c1cccc(F)c1F ZINC000104232336 169285556 /nfs/dbraw/zinc/28/55/56/169285556.db2.gz GLPMEGQDXDZHAB-NSHDSACASA-N 0 0 243.253 2.179 10 0 BEAERN c1nnn(-c2ccccc2)c1-c1ccncc1 ZINC000026162188 183388222 /nfs/dbraw/zinc/38/82/22/183388222.db2.gz LETPPKZRSCHEMN-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN CCCN[C@@H](C(=O)OCC)c1ccccc1F ZINC000037513760 169273407 /nfs/dbraw/zinc/27/34/07/169273407.db2.gz BBMDNBGGCJDJCU-GFCCVEGCSA-N 0 0 239.290 2.430 10 0 BEAERN CCCOC(=O)c1c(C)ccc(C)c1N ZINC000037475350 169301046 /nfs/dbraw/zinc/30/10/46/169301046.db2.gz XITGMGXSGFKCHC-UHFFFAOYSA-N 0 0 207.273 2.452 10 0 BEAERN CCCOCC(=O)N1CCCC12CCCC2 ZINC000365560558 169302523 /nfs/dbraw/zinc/30/25/23/169302523.db2.gz LJLBNLNWVXPYDY-UHFFFAOYSA-N 0 0 225.332 2.348 10 0 BEAERN CCCOCCOC(=O)c1ccc(C)c(N)c1 ZINC000041580899 169308969 /nfs/dbraw/zinc/30/89/69/169308969.db2.gz FLBZVWMQJGMOBI-UHFFFAOYSA-N 0 0 237.299 2.161 10 0 BEAERN CCCOCCOCc1cccnc1NCC ZINC000104230233 169310257 /nfs/dbraw/zinc/31/02/57/169310257.db2.gz UXOPOAIVHMIWTF-UHFFFAOYSA-N 0 0 238.331 2.457 10 0 BEAERN CCCOc1cc(C)nc2c(CC)cnn21 ZINC000026490666 169314797 /nfs/dbraw/zinc/31/47/97/169314797.db2.gz QOPWDLJQUAUMER-UHFFFAOYSA-N 0 0 219.288 2.389 10 0 BEAERN CCCOc1cc(NC)nc(C2CC2)n1 ZINC000082491371 169315719 /nfs/dbraw/zinc/31/57/19/169315719.db2.gz MDURFRWYQGTKKH-UHFFFAOYSA-N 0 0 207.277 2.185 10 0 BEAERN CCCNc1cc(CN2CCCCC2=O)ccn1 ZINC000052733142 169293375 /nfs/dbraw/zinc/29/33/75/169293375.db2.gz HSBOGMXUGWVXAM-UHFFFAOYSA-N 0 0 247.342 2.416 10 0 BEAERN c1ccc2c(c1)nccc2C1OCCO1 ZINC000038978166 183436955 /nfs/dbraw/zinc/43/69/55/183436955.db2.gz JRWJNRRPAACSQZ-UHFFFAOYSA-N 0 0 201.225 2.280 10 0 BEAERN CCCNc1cc(C)nc([C@@H]2CCOC2)n1 ZINC000051691585 169293936 /nfs/dbraw/zinc/29/39/36/169293936.db2.gz LZHHUDDTAZZYKA-SNVBAGLBSA-N 0 0 221.304 2.111 10 0 BEAERN CCCNc1ccc(-n2cncn2)c(F)c1 ZINC000037787974 169294288 /nfs/dbraw/zinc/29/42/88/169294288.db2.gz MNIZSAUUYYUJRX-UHFFFAOYSA-N 0 0 220.251 2.228 10 0 BEAERN CCCNc1ccccc1-n1ccnn1 ZINC000036933716 169294601 /nfs/dbraw/zinc/29/46/01/169294601.db2.gz ZXYAOGXDEPNDOB-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1nc(C(=O)NC)cc2ccccc21 ZINC000050725846 169295852 /nfs/dbraw/zinc/29/58/52/169295852.db2.gz AWFWFBGWDBQTJI-UHFFFAOYSA-N 0 0 243.310 2.416 10 0 BEAERN CCCNc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000041662756 169295877 /nfs/dbraw/zinc/29/58/77/169295877.db2.gz XWBOLOHOEDFMDO-UHFFFAOYSA-N 0 0 229.283 2.259 10 0 BEAERN CCCNc1ccnc(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000052303543 169295974 /nfs/dbraw/zinc/29/59/74/169295974.db2.gz RMWUJXSLGLYDER-MWLCHTKSSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1ncnc(NC(C)(C)C)c1N ZINC000040680420 169296838 /nfs/dbraw/zinc/29/68/38/169296838.db2.gz YQHIVXNHHSRPMY-UHFFFAOYSA-N 0 0 223.324 2.091 10 0 BEAERN CCCSc1nc2ccccc2n1CC(N)=O ZINC000007466861 169341797 /nfs/dbraw/zinc/34/17/97/169341797.db2.gz CRPXBHSNPUUICK-UHFFFAOYSA-N 0 0 249.339 2.024 10 0 BEAERN CCCS(=O)(=O)Nc1c(C)ccc(N)c1C ZINC000019436895 169334164 /nfs/dbraw/zinc/33/41/64/169334164.db2.gz TZPGVDWYYHQIGW-UHFFFAOYSA-N 0 0 242.344 2.037 10 0 BEAERN CCC[C@@H](C)N1C(=O)c2ccc(N)cc2C1=O ZINC000020244242 169366510 /nfs/dbraw/zinc/36/65/10/169366510.db2.gz DIVKSEMNMIARBN-MRVPVSSYSA-N 0 0 232.283 2.053 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cccc(C)c1N ZINC000019407527 169369130 /nfs/dbraw/zinc/36/91/30/169369130.db2.gz LZSSMWQUFQZDFU-SNVBAGLBSA-N 0 0 220.316 2.496 10 0 BEAERN CCC[C@@H](C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116123574 169349511 /nfs/dbraw/zinc/34/95/11/169349511.db2.gz NCCZZRUGSNQXKC-NEPJUHHUSA-N 0 0 249.358 2.172 10 0 BEAERN CCC[C@@H](CC)N1C(=O)c2ccc(N)cc2C1=O ZINC000050405629 169375683 /nfs/dbraw/zinc/37/56/83/169375683.db2.gz DXNAYTJOFNNQRF-SNVBAGLBSA-N 0 0 246.310 2.444 10 0 BEAERN CCN(CC)C(=O)NCC1(O)CCCCCC1 ZINC000091961967 535454691 /nfs/dbraw/zinc/45/46/91/535454691.db2.gz CNAQBXXXLGQYFU-UHFFFAOYSA-N 0 0 242.363 2.123 10 0 BEAERN CCC[C@H](C)NC(=O)c1nc(N)ccc1Cl ZINC000050694183 169493150 /nfs/dbraw/zinc/49/31/50/169493150.db2.gz ZXBGJMVEJZPPAW-ZETCQYMHSA-N 0 0 241.722 2.236 10 0 BEAERN O=C(C[C@@H]1C=CCC1)NC[C@@H]1CCCC[C@@H]1O ZINC000224879588 134348438 /nfs/dbraw/zinc/34/84/38/134348438.db2.gz UHMZIZMGGZFMKJ-AGIUHOORSA-N 0 0 237.343 2.010 10 0 BEAERN CCCc1c(OC)c(=O)c2ccccc2n1C ZINC000000900218 169562499 /nfs/dbraw/zinc/56/24/99/169562499.db2.gz GEGKYZYCKNLWLI-UHFFFAOYSA-N 0 0 231.295 2.500 10 0 biogenic,in-vitro BEAERN CCCc1nc(COc2cccc(O)c2)no1 ZINC000049339827 169591163 /nfs/dbraw/zinc/59/11/63/169591163.db2.gz VWMFMWQENVPBRW-UHFFFAOYSA-N 0 0 234.255 2.307 10 0 BEAERN CCCc1nnc(NCC[C@@H](O)C(C)C)s1 ZINC000301682724 169598467 /nfs/dbraw/zinc/59/84/67/169598467.db2.gz UFZQSYSPDDJTFZ-SECBINFHSA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnc(N[C@@H](CC)CCO)s1 ZINC000301665632 169599634 /nfs/dbraw/zinc/59/96/34/169599634.db2.gz LYLGCFJGVDHRMB-QMMMGPOBSA-N 0 0 229.349 2.064 10 0 BEAERN O=C(CC1CCCC1)N[C@H]1CCCC[C@H]1CO ZINC000225673333 134356472 /nfs/dbraw/zinc/35/64/72/134356472.db2.gz CBZLACUOPCFDTC-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN CCN(C(=O)CCOC)[C@H](C)c1cccnc1 ZINC000115223664 169634341 /nfs/dbraw/zinc/63/43/41/169634341.db2.gz ZQLFPTGEVIIHPU-LLVKDONJSA-N 0 0 236.315 2.028 10 0 BEAERN CCN(C(=O)NCC1(O)CCCCC1)C(C)C ZINC000118959068 169642325 /nfs/dbraw/zinc/64/23/25/169642325.db2.gz MBJFFWQEBPUKGX-UHFFFAOYSA-N 0 0 242.363 2.122 10 0 BEAERN CCN(C(=O)c1cnc(N)c(Cl)c1)C(C)C ZINC000050701223 169661450 /nfs/dbraw/zinc/66/14/50/169661450.db2.gz YKMMPZKHXCETTM-UHFFFAOYSA-N 0 0 241.722 2.188 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)NC2CCCC2)o1 ZINC000226546035 134366303 /nfs/dbraw/zinc/36/63/03/134366303.db2.gz SMDMVDVUWASKCF-SECBINFHSA-N 0 0 237.303 2.286 10 0 BEAERN Cc1ccncc1N[C@@H]1CCO[C@@H](C)C1 ZINC000069891316 383853321 /nfs/dbraw/zinc/85/33/21/383853321.db2.gz HPJVWBYQYATATQ-WDEREUQCSA-N 0 0 206.289 2.369 10 0 BEAERN CC(C)(C)c1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000066327958 383856823 /nfs/dbraw/zinc/85/68/23/383856823.db2.gz GSKVWYTUBVEFEC-UHFFFAOYSA-N 0 0 220.194 2.086 10 0 BEAERN Cc1cnc(C)c(NC[C@H]2CCCC[C@H]2O)n1 ZINC000088058042 383876410 /nfs/dbraw/zinc/87/64/10/383876410.db2.gz WYHBYWQMEDFACF-VXGBXAGGSA-N 0 0 235.331 2.056 10 0 BEAERN COC(=O)c1cc(CC(C)C)nc(C2CC2)n1 ZINC000575622607 383877700 /nfs/dbraw/zinc/87/77/00/383877700.db2.gz NUVIOOCLSDIDBX-UHFFFAOYSA-N 0 0 234.299 2.339 10 0 BEAERN CCn1c(=O)cc(C2CCCCC2)[nH]c1=O ZINC000575622590 383877865 /nfs/dbraw/zinc/87/78/65/383877865.db2.gz XDGQWKHCPANDGV-UHFFFAOYSA-N 0 0 222.288 2.017 10 0 BEAERN CCC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000301003912 383830790 /nfs/dbraw/zinc/83/07/90/383830790.db2.gz WHOQPQUZYHOXMD-RKDXNWHRSA-N 0 0 235.274 2.265 10 0 BEAERN CCC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000301003911 383830902 /nfs/dbraw/zinc/83/09/02/383830902.db2.gz WHOQPQUZYHOXMD-IUCAKERBSA-N 0 0 235.274 2.265 10 0 BEAERN Nc1nc(-c2ccc(-c3ccco3)cn2)ns1 ZINC000067173742 383915023 /nfs/dbraw/zinc/91/50/23/383915023.db2.gz MKXIYBRHWZLVAA-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN Cc1ccc(Br)c2c1C(=O)OC2 ZINC000067173529 383915821 /nfs/dbraw/zinc/91/58/21/383915821.db2.gz QASSYQRJWTVLEG-UHFFFAOYSA-N 0 0 227.057 2.428 10 0 BEAERN O=C1c2ccccc2CC[C@H]1n1cccn1 ZINC000027331857 383923700 /nfs/dbraw/zinc/92/37/00/383923700.db2.gz FRZYKJIDBSWXTM-GFCCVEGCSA-N 0 0 212.252 2.253 10 0 BEAERN c1snnc1CN[C@@H]1CCOc2ccccc21 ZINC000037074416 383935706 /nfs/dbraw/zinc/93/57/06/383935706.db2.gz YNRVUXJNLPITCD-LLVKDONJSA-N 0 0 247.323 2.152 10 0 BEAERN O=C(C1CC=CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127732412 383899524 /nfs/dbraw/zinc/89/95/24/383899524.db2.gz OGOVPFZWDKSJAC-DZGCQCFKSA-N 0 0 249.354 2.106 10 0 BEAERN CCOC(=O)c1cn2c(ccc(Cl)c2F)n1 ZINC000396170497 383900652 /nfs/dbraw/zinc/90/06/52/383900652.db2.gz VOFOVVIFOARWDB-UHFFFAOYSA-N 0 0 242.637 2.304 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2cc[nH]c2)o1 ZINC000068277316 383980985 /nfs/dbraw/zinc/98/09/85/383980985.db2.gz WYGRILYCEFDNQG-SECBINFHSA-N 0 0 218.256 2.407 10 0 BEAERN Nc1cccc2cnn(Oc3ccccc3)c21 ZINC000089200798 383944600 /nfs/dbraw/zinc/94/46/00/383944600.db2.gz CFTJQRCIUFKJAC-UHFFFAOYSA-N 0 0 225.251 2.461 10 0 BEAERN O=C(c1ccccc1)c1nccc2c1NCC2 ZINC000089220491 383948982 /nfs/dbraw/zinc/94/89/82/383948982.db2.gz IIQHNMKGDWJBSH-UHFFFAOYSA-N 0 0 224.263 2.281 10 0 BEAERN CC(C)(C)N1C(=O)Cc2ccc(Cl)nc21 ZINC000089222126 383949768 /nfs/dbraw/zinc/94/97/68/383949768.db2.gz VGTXSGJWHYSJFO-UHFFFAOYSA-N 0 0 224.691 2.423 10 0 BEAERN CN(C)c1[nH]nc2nc(-c3ccccc3)ncc21 ZINC000089222563 383950201 /nfs/dbraw/zinc/95/02/01/383950201.db2.gz GXYVSWIFASSYJG-UHFFFAOYSA-N 0 0 239.282 2.086 10 0 BEAERN CCc1cc([N+](=O)[O-])c(C(C)=O)cc1C#N ZINC000575648939 383951096 /nfs/dbraw/zinc/95/10/96/383951096.db2.gz RQWFGLYJIFJKDU-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CC(C)(C)OC(=O)Nc1ncnc2cc[nH]c21 ZINC000089223703 383951102 /nfs/dbraw/zinc/95/11/02/383951102.db2.gz OPPFYUKTCMDKPA-UHFFFAOYSA-N 0 0 234.259 2.305 10 0 BEAERN CCOc1cc([N+](=O)[O-])c(C#N)cc1C(C)=O ZINC000575649153 383951366 /nfs/dbraw/zinc/95/13/66/383951366.db2.gz OJBJQJALMFDEQE-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCc1c(C#N)c(OC)ccc1[N+](=O)[O-] ZINC000575648935 383951979 /nfs/dbraw/zinc/95/19/79/383951979.db2.gz RPEMAGBBKZKOEN-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1cn2c(n1)nc(Cl)cc2Cl ZINC000089229086 383952945 /nfs/dbraw/zinc/95/29/45/383952945.db2.gz DPPAJSXQRUXJHO-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN C[C@@H](CCc1ccco1)[NH2+]Cc1cncnc1 ZINC000054767123 383954743 /nfs/dbraw/zinc/95/47/43/383954743.db2.gz YOAHGVMGASOXQS-NSHDSACASA-N 0 0 231.299 2.181 10 0 BEAERN C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C(=O)[O-] ZINC000304203080 384020232 /nfs/dbraw/zinc/02/02/32/384020232.db2.gz YHCLYRUYRFDNLI-OPRDCNLKSA-N 0 0 247.285 2.074 10 0 BEAERN O=C(C1CCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893855 384009252 /nfs/dbraw/zinc/00/92/52/384009252.db2.gz KKCSDDWCSBDMOR-LBPRGKRZSA-N 0 0 233.315 2.263 10 0 BEAERN CCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113886926 384010783 /nfs/dbraw/zinc/01/07/83/384010783.db2.gz DDISVFIDOTWLCX-NSHDSACASA-N 0 0 221.304 2.263 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1nsnc1Cl ZINC000050376721 384011320 /nfs/dbraw/zinc/01/13/20/384011320.db2.gz NZDWZIMOSOKOKS-RITPCOANSA-N 0 0 233.724 2.171 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccncc1F ZINC000075374394 384046545 /nfs/dbraw/zinc/04/65/45/384046545.db2.gz VFRPBYWAVMYRRZ-KWQFWETISA-N 0 0 222.263 2.139 10 0 BEAERN Nc1cnccc1Sc1ccncc1 ZINC000050472107 384052425 /nfs/dbraw/zinc/05/24/25/384052425.db2.gz GKVZKUQSDHGITD-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN CN(CCOc1ccc(F)cc1)Cc1cc[nH]n1 ZINC000114461152 384038578 /nfs/dbraw/zinc/03/85/78/384038578.db2.gz BKIQIGROQKMAQY-UHFFFAOYSA-N 0 0 249.289 2.060 10 0 BEAERN N#Cc1ccc(F)c(C(F)(F)F)c1CO ZINC000575650443 384039260 /nfs/dbraw/zinc/03/92/60/384039260.db2.gz YIPMACQKYGZQJO-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 ZINC000004343602 384057763 /nfs/dbraw/zinc/05/77/63/384057763.db2.gz ZCJHLBHJGLCVRU-QLOYHPGWSA-N 0 0 240.302 2.015 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N(C)C2CC2)o1 ZINC000114915105 384058011 /nfs/dbraw/zinc/05/80/11/384058011.db2.gz OYZMIYBIYKWUIL-VIFPVBQESA-N 0 0 222.288 2.453 10 0 BEAERN CCCCNC(=O)N(C)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004323318 384058168 /nfs/dbraw/zinc/05/81/68/384058168.db2.gz FXSHPYPGPUDCLF-GRYCIOLGSA-N 0 0 222.332 2.393 10 0 BEAERN O=C([O-])C[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000038027598 384058701 /nfs/dbraw/zinc/05/87/01/384058701.db2.gz HILGSDBFLVKOMW-LLVKDONJSA-N 0 0 211.305 2.258 10 0 BEAERN Cc1[nH]nc2c1[C@@H](O)C[C@@H](c1ccco1)C2 ZINC000072415236 384099045 /nfs/dbraw/zinc/09/90/45/384099045.db2.gz WZNMXAFMPVUZEK-WPRPVWTQSA-N 0 0 218.256 2.075 10 0 BEAERN Cc1[nH]nc2c1[C@H](O)C[C@@H](c1ccco1)C2 ZINC000072415238 384099175 /nfs/dbraw/zinc/09/91/75/384099175.db2.gz WZNMXAFMPVUZEK-WCBMZHEXSA-N 0 0 218.256 2.075 10 0 BEAERN Cc1ccc([C@@H]2CCCC[C@@H]2NN)cc1 ZINC000039105294 384104520 /nfs/dbraw/zinc/10/45/20/384104520.db2.gz VODLXSPDSHACNX-STQMWFEESA-N 0 0 204.317 2.485 10 0 BEAERN Cc1cccc([C@@H]2Cc3c(cnn3C)[C@H](O)C2)c1 ZINC000072415816 384107841 /nfs/dbraw/zinc/10/78/41/384107841.db2.gz SAMSIFVMZDUBIR-IUODEOHRSA-N 0 0 242.322 2.492 10 0 BEAERN C[C@H]1CC[C@H](c2nc(Br)no2)O1 ZINC000156571258 384108097 /nfs/dbraw/zinc/10/80/97/384108097.db2.gz JACCFKMZANURHU-CRCLSJGQSA-N 0 0 233.065 2.072 10 0 BEAERN Cc1occc1-c1nc(Br)no1 ZINC000156572425 384109721 /nfs/dbraw/zinc/10/97/21/384109721.db2.gz CSLAEFWDQOFELA-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN Brc1noc([C@@H]2CCSC2)n1 ZINC000156582780 384112544 /nfs/dbraw/zinc/11/25/44/384112544.db2.gz YUQHASOFKGEAOS-SCSAIBSYSA-N 0 0 235.106 2.053 10 0 BEAERN O=Cc1cscc1I ZINC000039235137 384112590 /nfs/dbraw/zinc/11/25/90/384112590.db2.gz ZTJJBPHLJYDWRS-UHFFFAOYSA-N 0 0 238.049 2.165 10 0 BEAERN COC(=O)c1ccc(Cc2ccccc2)nc1 ZINC000039212479 384112654 /nfs/dbraw/zinc/11/26/54/384112654.db2.gz UXNNWMITDZHRBV-UHFFFAOYSA-N 0 0 227.263 2.459 10 0 BEAERN CC(=O)Cn1c2ccccc2nc1N1CCCC1 ZINC000072416165 384112984 /nfs/dbraw/zinc/11/29/84/384112984.db2.gz OIHDCLRLFZAMDS-UHFFFAOYSA-N 0 0 243.310 2.226 10 0 BEAERN Nc1ncnc2c3ccccc3sc21 ZINC000005590168 384120996 /nfs/dbraw/zinc/12/09/96/384120996.db2.gz UWAHPYYKKCDGEN-UHFFFAOYSA-N 0 0 201.254 2.427 10 0 BEAERN Cc1cc(C)c(OC(F)F)cc1CO ZINC000575653118 384123450 /nfs/dbraw/zinc/12/34/50/384123450.db2.gz WKHOKQFPUUVAGQ-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN COC(=O)/C=C\CCc1ccc(F)cc1 ZINC000091366242 384123731 /nfs/dbraw/zinc/12/37/31/384123731.db2.gz BHPCQASCGYNZEM-HYXAFXHYSA-N 0 0 208.232 2.488 10 0 BEAERN C[C@H](NCC(F)(F)F)c1nccs1 ZINC000070634439 384128769 /nfs/dbraw/zinc/12/87/69/384128769.db2.gz OWURQHXQKIDHHS-YFKPBYRVSA-N 0 0 210.224 2.356 10 0 BEAERN OC1CC(CNc2ncccc2C(F)(F)F)C1 ZINC000091525987 384131782 /nfs/dbraw/zinc/13/17/82/384131782.db2.gz HXDCUIFCRFGKOU-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN COC(=O)c1cc2sccc2n1CC(C)=O ZINC000006749980 384166797 /nfs/dbraw/zinc/16/67/97/384166797.db2.gz XYKSFFTWZUFLDW-UHFFFAOYSA-N 0 0 237.280 2.078 10 0 BEAERN O[C@H](Cc1ccsc1)C(F)(F)Cl ZINC000156651689 384184830 /nfs/dbraw/zinc/18/48/30/384184830.db2.gz HRTPBFUPNZDFTI-ZCFIWIBFSA-N 0 0 212.648 2.483 10 0 BEAERN Cc1cc(CO)cc(C(F)(F)F)c1C#N ZINC000575645898 384187188 /nfs/dbraw/zinc/18/71/88/384187188.db2.gz GNPPYZRPFWIALU-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN CCCCNC(=O)CN[C@H](C)c1ccc(C)o1 ZINC000042213841 384207643 /nfs/dbraw/zinc/20/76/43/384207643.db2.gz CSZDPTVRTTWFNK-LLVKDONJSA-N 0 0 238.331 2.155 10 0 BEAERN CCCCNC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000042213838 384207893 /nfs/dbraw/zinc/20/78/93/384207893.db2.gz CSZDPTVRTTWFNK-NSHDSACASA-N 0 0 238.331 2.155 10 0 BEAERN CC(=O)N(C)Cc1cnc(Cl)c(Cl)c1 ZINC000118853322 384213457 /nfs/dbraw/zinc/21/34/57/384213457.db2.gz LTTBRDJQBMEZFS-UHFFFAOYSA-N 0 0 233.098 2.367 10 0 BEAERN CCOc1ccc(-c2cc(=O)[nH]c(=S)[nH]2)cc1 ZINC000072417215 384217516 /nfs/dbraw/zinc/21/75/16/384217516.db2.gz BEGRZHCBVKTAMU-UHFFFAOYSA-N 0 0 248.307 2.498 10 0 BEAERN C[C@@H](CC(=O)Nc1cn[nH]c1)C(C)(C)C ZINC000082618922 384251723 /nfs/dbraw/zinc/25/17/23/384251723.db2.gz WKEGBHUPQLKZSO-QMMMGPOBSA-N 0 0 209.293 2.421 10 0 BEAERN COC(=O)c1cccc(NC(=O)[C@@H]2CC2(C)C)c1 ZINC000132896148 384260374 /nfs/dbraw/zinc/26/03/74/384260374.db2.gz ASUCLPQKUQIFTJ-NSHDSACASA-N 0 0 247.294 2.458 10 0 BEAERN C[C@@H](C(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000119326731 384260368 /nfs/dbraw/zinc/26/03/68/384260368.db2.gz UIKBYENWINJJOH-DYEKYZERSA-N 0 0 247.338 2.474 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccnc(Cl)c1 ZINC000134402431 384261963 /nfs/dbraw/zinc/26/19/63/384261963.db2.gz DOQIOVLUKJLRGU-VXNVDRBHSA-N 0 0 212.680 2.324 10 0 BEAERN CONC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000133897225 384320146 /nfs/dbraw/zinc/32/01/46/384320146.db2.gz GUXAZMFLGPYUGO-BXKDBHETSA-N 0 0 234.299 2.486 10 0 BEAERN COC(=O)C1=C(O)CC[C@H](c2ccccc2)C1 ZINC000093954915 384282777 /nfs/dbraw/zinc/28/27/77/384282777.db2.gz QISHTJPQSJDTSQ-RYUDHWBXSA-N 0 0 232.279 2.312 10 0 BEAERN CCC1(NC(=O)CCc2cnn(C)c2C)CCC1 ZINC000119660984 384293143 /nfs/dbraw/zinc/29/31/43/384293143.db2.gz HCHMLHDPQKGJDE-UHFFFAOYSA-N 0 0 249.358 2.110 10 0 BEAERN Cc1cc(CC(=O)NC2CCC(C)(C)CC2)n[nH]1 ZINC000120406164 384349402 /nfs/dbraw/zinc/34/94/02/384349402.db2.gz CJGVZBFLNUUWNM-UHFFFAOYSA-N 0 0 249.358 2.346 10 0 BEAERN COCc1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075979393 384349765 /nfs/dbraw/zinc/34/97/65/384349765.db2.gz IPKPFXOPIUAPAT-GXFFZTMASA-N 0 0 248.326 2.041 10 0 BEAERN CC[C@@H](C)CN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134323825 384349796 /nfs/dbraw/zinc/34/97/96/384349796.db2.gz MWNMLGPBLOWQSJ-MNOVXSKESA-N 0 0 249.358 2.334 10 0 BEAERN COCc1cccc(CNC(=O)N[C@H]2C[C@H]2C)c1 ZINC000075981539 384352249 /nfs/dbraw/zinc/35/22/49/384352249.db2.gz LMMTYTTWFFUSET-MFKMUULPSA-N 0 0 248.326 2.041 10 0 BEAERN CC(=O)Nc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076033597 384353637 /nfs/dbraw/zinc/35/36/37/384353637.db2.gz HBWFISWLOMUVRN-UFBFGSQYSA-N 0 0 247.298 2.175 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@H]1C ZINC000134465347 384357795 /nfs/dbraw/zinc/35/77/95/384357795.db2.gz ISGAHTMSIREDOI-OUAUKWLOSA-N 0 0 247.342 2.087 10 0 BEAERN Cc1c(C(=O)[O-])cc[nH+]c1N1CCCCC1 ZINC000095080544 384359344 /nfs/dbraw/zinc/35/93/44/384359344.db2.gz ZMIMCJYWCQWVTP-UHFFFAOYSA-N 0 0 220.272 2.079 10 0 BEAERN CCc1ccc(OC)c(OC(F)F)c1CO ZINC000575656035 384359807 /nfs/dbraw/zinc/35/98/07/384359807.db2.gz DTNMCNJGEJWQAB-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN c1nc(CCCNc2nc3ccccc3[nH]2)c[nH]1 ZINC000013479414 384362762 /nfs/dbraw/zinc/36/27/62/384362762.db2.gz XAJKXTPKZFCYPN-UHFFFAOYSA-N 0 0 241.298 2.331 10 0 in-vitro BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1cc(F)ccc1F ZINC000335596334 384367263 /nfs/dbraw/zinc/36/72/63/384367263.db2.gz MGCVNCXKJFIUHL-RNCFNFMXSA-N 0 0 241.281 2.310 10 0 BEAERN Cc1nc(Cl)cc(N[C@@H]2CCO[C@H]2C)n1 ZINC000134584301 384372524 /nfs/dbraw/zinc/37/25/24/384372524.db2.gz YMNQHPRVYYZHJV-POYBYMJQSA-N 0 0 227.695 2.028 10 0 BEAERN Cc1ccc(CC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075525968 384329262 /nfs/dbraw/zinc/32/92/62/384329262.db2.gz NMRCHXGTNAHJTN-PWSUYJOCSA-N 0 0 203.285 2.062 10 0 BEAERN CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075519802 384329291 /nfs/dbraw/zinc/32/92/91/384329291.db2.gz VIVHRKHPTIVLAZ-GXSJLCMTSA-N 0 0 219.284 2.224 10 0 BEAERN Cc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075521566 384330448 /nfs/dbraw/zinc/33/04/48/384330448.db2.gz JDXNACSIAOKRAL-GZMMTYOYSA-N 0 0 207.248 2.272 10 0 BEAERN CCc1cc(OC(F)F)c(OC)cc1CO ZINC000575658235 384392132 /nfs/dbraw/zinc/39/21/32/384392132.db2.gz QWCNJMQWGKJRQE-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN COCCCCC(=O)N1CCOc2ccccc21 ZINC000121053624 384395337 /nfs/dbraw/zinc/39/53/37/384395337.db2.gz IEHWQQYCSFANER-UHFFFAOYSA-N 0 0 249.310 2.229 10 0 BEAERN Nc1cnc(Br)cc1Cl ZINC000095763765 384395408 /nfs/dbraw/zinc/39/54/08/384395408.db2.gz SBCJKIJLWKIWBG-UHFFFAOYSA-N 0 0 207.458 2.080 10 0 BEAERN CCOC[C@@H]1CCCCN1C(=O)OC(C)C ZINC000313466790 384402123 /nfs/dbraw/zinc/40/21/23/384402123.db2.gz GVFJMGMHVFXCAV-NSHDSACASA-N 0 0 229.320 2.422 10 0 BEAERN Cc1nc(CNC(=O)C[C@H](C)CC(C)C)no1 ZINC000134997306 384406327 /nfs/dbraw/zinc/40/63/27/384406327.db2.gz VHYYOBDRRQDOBI-SECBINFHSA-N 0 0 239.319 2.067 10 0 BEAERN Nc1nc(Cl)nc(C(F)(F)F)c1Cl ZINC000095929602 384410476 /nfs/dbraw/zinc/41/04/76/384410476.db2.gz AIXNLXHIGZYOKK-UHFFFAOYSA-N 0 0 231.992 2.384 10 0 BEAERN [NH3+]CC[C@H]1CCN(C(=O)[O-])c2ccccc21 ZINC000616675600 384412733 /nfs/dbraw/zinc/41/27/33/384412733.db2.gz TWCMGYIHYRFNIQ-VIFPVBQESA-N 0 0 220.272 2.007 10 0 BEAERN COc1cc(CO)cc(OC(F)F)c1C ZINC000575664526 384426976 /nfs/dbraw/zinc/42/69/76/384426976.db2.gz HTSYFSXDGHHSNO-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1cc(OC(F)F)c(C=O)cc1C(C)=O ZINC000575661466 384417980 /nfs/dbraw/zinc/41/79/80/384417980.db2.gz KPZPVQOKYDQOHI-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Cc1nc(Cl)cc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000084239352 384383754 /nfs/dbraw/zinc/38/37/54/384383754.db2.gz LQWZWQHTNSIXKP-IUCAKERBSA-N 0 0 241.722 2.011 10 0 BEAERN COc1c(C)cc(CO)cc1OC(F)F ZINC000575664082 384427503 /nfs/dbraw/zinc/42/75/03/384427503.db2.gz BGLYLIGKRNFZQA-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COC(=O)C1c2cccnc2N(C(C)(C)C)C1=O ZINC000045328706 384386725 /nfs/dbraw/zinc/38/67/25/384386725.db2.gz RBNWAJJWABDZJB-UHFFFAOYSA-N 0 0 248.282 2.284 10 0 BEAERN CCOc1cc(CO)c(OC(F)F)c(OC)c1 ZINC000575658117 384388752 /nfs/dbraw/zinc/38/87/52/384388752.db2.gz PVPSHOSRNHVUOP-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1cc(O)cc(C=O)c1OC(F)F ZINC000575658023 384389451 /nfs/dbraw/zinc/38/94/51/384389451.db2.gz ZZYXTPIFKYADAP-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCC[C@](C)(O)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000121909630 384445088 /nfs/dbraw/zinc/44/50/88/384445088.db2.gz FPWWXABXPYZQAQ-GWCFXTLKSA-N 0 0 239.315 2.316 10 0 BEAERN C[C@@H](CO)N(C)C(=O)c1ccc2ccccc2c1 ZINC000135456535 384446228 /nfs/dbraw/zinc/44/62/28/384446228.db2.gz VXIMZWQXAZVMFJ-NSHDSACASA-N 0 0 243.306 2.293 10 0 BEAERN Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC2(C)C)cn1 ZINC000121788840 384440068 /nfs/dbraw/zinc/44/00/68/384440068.db2.gz UKKIDWFGLNFZQH-NEPJUHHUSA-N 0 0 247.342 2.130 10 0 BEAERN COC(=O)c1cccnc1CN1CCC[C@@H](C)C1 ZINC000305999250 384463419 /nfs/dbraw/zinc/46/34/19/384463419.db2.gz UVYCJSFDPCFGEA-LLVKDONJSA-N 0 0 248.326 2.100 10 0 BEAERN COc1cc(C(F)F)cc(C)c1CO ZINC000575671642 384465122 /nfs/dbraw/zinc/46/51/22/384465122.db2.gz SKCZOSNHEDGSFF-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(C)cc(C(F)F)c1CO ZINC000575670693 384458375 /nfs/dbraw/zinc/45/83/75/384458375.db2.gz KHQQSOSLYIKECU-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1c(C(F)(F)F)ccc(C#N)c1CO ZINC000575646473 384492976 /nfs/dbraw/zinc/49/29/76/384492976.db2.gz GXCDUZXISFPNTH-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1cc([N+](=O)[O-])cc(C(C)=O)c1C#N ZINC000575646507 384493294 /nfs/dbraw/zinc/49/32/94/384493294.db2.gz ILZBDIUQBAERTO-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN Cn1nccc1CCC(=O)OC1CCCCC1 ZINC000122906532 384518555 /nfs/dbraw/zinc/51/85/55/384518555.db2.gz WYCJBMGVEKERIE-UHFFFAOYSA-N 0 0 236.315 2.229 10 0 BEAERN Cc1ccc([C@H]2NC(=O)[C@H]3CCCCN32)c(C)c1 ZINC000071967400 384528149 /nfs/dbraw/zinc/52/81/49/384528149.db2.gz BFLYFBPEMHFNNK-KGLIPLIRSA-N 0 0 244.338 2.286 10 0 BEAERN CCc1ccc([C@H]2C=CS(=O)(=O)C2)cc1 ZINC000040173732 384544220 /nfs/dbraw/zinc/54/42/20/384544220.db2.gz XHLVAVZKZCHDDQ-LBPRGKRZSA-N 0 0 222.309 2.275 10 0 BEAERN F[C@H]1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000306353828 384546927 /nfs/dbraw/zinc/54/69/27/384546927.db2.gz QJVCZQKSXBIZDL-NKWVEPMBSA-N 0 0 215.659 2.433 10 0 BEAERN C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)C(C)(C)C ZINC000354364058 384549962 /nfs/dbraw/zinc/54/99/62/384549962.db2.gz ALNATBDDBBTOMR-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cc(CN2CCCC[C@@H]2c2cn[nH]c2)on1 ZINC000172271285 384557754 /nfs/dbraw/zinc/55/77/54/384557754.db2.gz RMXIERUHCZRFMG-CYBMUJFWSA-N 0 0 246.314 2.433 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000103356945 384609203 /nfs/dbraw/zinc/60/92/03/384609203.db2.gz WWSUKVHRTQXSSD-CHWSQXEVSA-N 0 0 249.354 2.406 10 0 BEAERN COC[C@@H](C)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000103374203 384611093 /nfs/dbraw/zinc/61/10/93/384611093.db2.gz YDDYTQKUYNYSGQ-NXEZZACHSA-N 0 0 225.332 2.058 10 0 BEAERN COC[C@@H](C)C(=O)NCCCC1CCCC1 ZINC000103372214 384612843 /nfs/dbraw/zinc/61/28/43/384612843.db2.gz ASGIALAKKFXNCY-LLVKDONJSA-N 0 0 227.348 2.356 10 0 BEAERN Nc1cc(C2CCC(F)(F)CC2)[nH]n1 ZINC000098096608 384592967 /nfs/dbraw/zinc/59/29/67/384592967.db2.gz GKNUVVNBWLQGQL-UHFFFAOYSA-N 0 0 201.220 2.285 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)c2ccccc2F)O1 ZINC000151585282 384597242 /nfs/dbraw/zinc/59/72/42/384597242.db2.gz QLTNRRQIZMINED-BXKDBHETSA-N 0 0 237.274 2.356 10 0 BEAERN Fc1cc(F)c(Br)c(F)n1 ZINC000098178750 384598562 /nfs/dbraw/zinc/59/85/62/384598562.db2.gz SPKNJYDIRCHCHG-UHFFFAOYSA-N 0 0 211.968 2.261 10 0 BEAERN CCOCCn1c(C)cc2c1ncnc2Cl ZINC000098180799 384600733 /nfs/dbraw/zinc/60/07/33/384600733.db2.gz DTQWBUSCRUCFAO-UHFFFAOYSA-N 0 0 239.706 2.430 10 0 BEAERN COC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000098181547 384602485 /nfs/dbraw/zinc/60/24/85/384602485.db2.gz DPBGYIFPFFZPSV-UHFFFAOYSA-N 0 0 233.267 2.093 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2C[C@@H]2C2CC2)n1 ZINC000309853375 384670510 /nfs/dbraw/zinc/67/05/10/384670510.db2.gz JQAOADQYHFITGJ-NXEZZACHSA-N 0 0 221.279 2.443 10 0 BEAERN CCOCCOc1ccc(C(=O)CC)c(O)c1 ZINC000169344750 384674707 /nfs/dbraw/zinc/67/47/07/384674707.db2.gz DBGCNVQZOWVVNS-UHFFFAOYSA-N 0 0 238.283 2.400 10 0 BEAERN O=C(NCCc1ccsc1)c1ccccc1O ZINC000042240237 384634584 /nfs/dbraw/zinc/63/45/84/384634584.db2.gz BQSBGSZAWXIOII-UHFFFAOYSA-N 0 0 247.319 2.426 10 0 BEAERN CC[C@@H](NC(=O)c1ccc(NC)nc1)C(C)C ZINC000050776977 384647227 /nfs/dbraw/zinc/64/72/27/384647227.db2.gz WZTHSDGSFVGUQG-LLVKDONJSA-N 0 0 235.331 2.288 10 0 BEAERN Cc1cc(NCc2ccoc2)nc(C)n1 ZINC000136092102 384659128 /nfs/dbraw/zinc/65/91/28/384659128.db2.gz BRNOOENYAGILHM-UHFFFAOYSA-N 0 0 203.245 2.299 10 0 BEAERN CC(C)(C)[C@H](N)c1noc(C(F)F)n1 ZINC000156766552 384662018 /nfs/dbraw/zinc/66/20/18/384662018.db2.gz GFLSVARWPUOPGF-SCSAIBSYSA-N 0 0 205.208 2.053 10 0 BEAERN CCNc1ccccc1C(=O)NC1CC1 ZINC000049537318 384680419 /nfs/dbraw/zinc/68/04/19/384680419.db2.gz HBMYPOPLEYWPBP-UHFFFAOYSA-N 0 0 204.273 2.011 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1sccc1OC(F)F ZINC000104406447 384686099 /nfs/dbraw/zinc/68/60/99/384686099.db2.gz BCNRWMSCNRCDPL-RITPCOANSA-N 0 0 247.266 2.488 10 0 BEAERN O=C(c1cc2ccccc2o1)N1CCCO1 ZINC000125430642 384718713 /nfs/dbraw/zinc/71/87/13/384718713.db2.gz IWABHWVVGKXRGZ-UHFFFAOYSA-N 0 0 217.224 2.210 10 0 BEAERN Cc1nsc(NC[C@H]2CC23CCOCC3)n1 ZINC000309923914 384719630 /nfs/dbraw/zinc/71/96/30/384719630.db2.gz ULSHAZGQJHYYJU-SECBINFHSA-N 0 0 239.344 2.075 10 0 BEAERN C[C@@H](NCc1cn[nH]n1)c1ccc(Cl)s1 ZINC000398327658 384737652 /nfs/dbraw/zinc/73/76/52/384737652.db2.gz GJNVEOSCFQPCRO-ZCFIWIBFSA-N 0 0 242.735 2.370 10 0 BEAERN Cc1ccc(CN(C)Cc2cccnc2N)o1 ZINC000052720283 384743190 /nfs/dbraw/zinc/74/31/90/384743190.db2.gz HJDXCBASBPOJIQ-UHFFFAOYSA-N 0 0 231.299 2.197 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000300393905 384747650 /nfs/dbraw/zinc/74/76/50/384747650.db2.gz FYMHFUIYPKWWGX-SDDRHHMPSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000648156346 384748328 /nfs/dbraw/zinc/74/83/28/384748328.db2.gz AVEMFEWMQDSOLE-YVECIDJPSA-N 0 0 239.359 2.088 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(O)c1F ZINC000575701379 384749152 /nfs/dbraw/zinc/74/91/52/384749152.db2.gz XPALSYQRHAWUNH-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCOC(=O)Cc1c(O)cc(Cl)cc1F ZINC000575701448 384749670 /nfs/dbraw/zinc/74/96/70/384749670.db2.gz ZTOONJKVNNSREK-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCC[C@](C)(O)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000300395463 384752191 /nfs/dbraw/zinc/75/21/91/384752191.db2.gz BKPHFOGCVJVLAQ-WZRBSPASSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1ccc([C@@H](O)c2cnc3c(c2)CCN3)cc1 ZINC000144232921 384753245 /nfs/dbraw/zinc/75/32/45/384753245.db2.gz GSVRSNHGIUSRDR-CQSZACIVSA-N 0 0 240.306 2.440 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H]2CC[C@H](C)O2)o1 ZINC000300398499 384753485 /nfs/dbraw/zinc/75/34/85/384753485.db2.gz KIDIVRBVKRXEKP-INTQDDNPSA-N 0 0 224.304 2.201 10 0 BEAERN CCCC(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000052974037 384756967 /nfs/dbraw/zinc/75/69/67/384756967.db2.gz OZZYTRZJAHWYRX-LBPRGKRZSA-N 0 0 249.310 2.207 10 0 BEAERN CCc1ccc(C(F)(F)F)c(C(N)=O)c1C=O ZINC000575702155 384759383 /nfs/dbraw/zinc/75/93/83/384759383.db2.gz FYFMMZKLVXUQSU-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN C[C@@H](N)c1nnc(-c2ccccc2F)s1 ZINC000083320366 384759870 /nfs/dbraw/zinc/75/98/70/384759870.db2.gz IYTIWZFFDCPUTA-ZCFIWIBFSA-N 0 0 223.276 2.364 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccccc1F ZINC000103356257 384761868 /nfs/dbraw/zinc/76/18/68/384761868.db2.gz BQPVLOCWTGSCCZ-MRVPVSSYSA-N 0 0 212.220 2.014 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cccc(F)c1 ZINC000103356401 384762104 /nfs/dbraw/zinc/76/21/04/384762104.db2.gz XJFPUVFQMGBREX-MRVPVSSYSA-N 0 0 212.220 2.014 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)cc1 ZINC000103356058 384762724 /nfs/dbraw/zinc/76/27/24/384762724.db2.gz MREDJXPUWMFMRJ-MRVPVSSYSA-N 0 0 211.236 2.047 10 0 BEAERN CSc1cc(C(C)=O)cc(F)c1[O-] ZINC000575702449 384763493 /nfs/dbraw/zinc/76/34/93/384763493.db2.gz FADZKPSFCNGMBD-UHFFFAOYSA-N 0 0 200.234 2.456 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000103359991 384764395 /nfs/dbraw/zinc/76/43/95/384764395.db2.gz DIAMXXFNHGKDPB-NEPJUHHUSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccc(C)cc1C ZINC000103372917 384764792 /nfs/dbraw/zinc/76/47/92/384764792.db2.gz GRCSAKKPTMEWMA-GFCCVEGCSA-N 0 0 235.327 2.202 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)c1cccc(F)c1 ZINC000103373392 384765182 /nfs/dbraw/zinc/76/51/82/384765182.db2.gz CEFYAKXASKXJLZ-JTQLQIEISA-N 0 0 239.290 2.461 10 0 BEAERN CCc1ccc(OC(=O)[C@H](C)COC)cc1 ZINC000103357792 384765459 /nfs/dbraw/zinc/76/54/59/384765459.db2.gz SOTAMHJCQKTEJO-SNVBAGLBSA-N 0 0 222.284 2.437 10 0 BEAERN CCC1CCC(NC(=O)[C@H](C)COC)CC1 ZINC000103372958 384765870 /nfs/dbraw/zinc/76/58/70/384765870.db2.gz FYFWWFRUOLSAFG-VOMCLLRMSA-N 0 0 227.348 2.354 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000103430443 384770162 /nfs/dbraw/zinc/77/01/62/384770162.db2.gz XDFJRBLJDJEPEW-SCZZXKLOSA-N 0 0 225.288 2.048 10 0 BEAERN CCC1(C(=O)N2C[C@H](C)C[C@H](O)C2)CCCC1 ZINC000335100393 384819749 /nfs/dbraw/zinc/81/97/49/384819749.db2.gz SOSQRUQIAPGUCK-NEPJUHHUSA-N 0 0 239.359 2.186 10 0 BEAERN CSC[C@H](C)C(=O)N1CCCC1(C)C ZINC000108994323 384821872 /nfs/dbraw/zinc/82/18/72/384821872.db2.gz SBLGLBIOVVZZIT-VIFPVBQESA-N 0 0 215.362 2.387 10 0 BEAERN CCc1cc(C(N)=O)c(SC)cc1OC ZINC000575704318 384782331 /nfs/dbraw/zinc/78/23/31/384782331.db2.gz UUEVCIBNKHHCLC-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN O=Cc1c(O)ccc(F)c1C(F)(F)F ZINC000575704195 384784436 /nfs/dbraw/zinc/78/44/36/384784436.db2.gz MAEKKSYXBSTTLL-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN CC[C@@H](CNc1nc(C)nc(C)c1F)OC ZINC000310019106 384787215 /nfs/dbraw/zinc/78/72/15/384787215.db2.gz MHYFDIQGKXCAMU-VIFPVBQESA-N 0 0 227.283 2.069 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CCC2CCCC2)C1 ZINC000335083671 384800664 /nfs/dbraw/zinc/80/06/64/384800664.db2.gz MUPPSBWNQHIAQD-DGCLKSJQSA-N 0 0 239.359 2.186 10 0 BEAERN Brc1ncc(-c2ccco2)cn1 ZINC000072192089 384804596 /nfs/dbraw/zinc/80/45/96/384804596.db2.gz QFMKYWOWKVJVOL-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN CCCn1nc(C)c(C(=O)N[C@H]2C[C@H]2C)c1C ZINC000126850350 384836797 /nfs/dbraw/zinc/83/67/97/384836797.db2.gz PWBWSBRKONWQMS-KCJUWKMLSA-N 0 0 235.331 2.048 10 0 BEAERN Fc1ccc(Cc2noc(Cl)n2)cc1 ZINC000053749972 384804900 /nfs/dbraw/zinc/80/49/00/384804900.db2.gz SOSVJYSDQKQTHL-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN Cc1ccc(C)c(C(=O)N2CCC[C@H](O)[C@H]2C)c1 ZINC000295951244 384874276 /nfs/dbraw/zinc/87/42/76/384874276.db2.gz GRHPWHAOIMYUSO-OCCSQVGLSA-N 0 0 247.338 2.289 10 0 BEAERN COc1c(OC(F)F)ccc(N)c1C(C)=O ZINC000575717592 384883059 /nfs/dbraw/zinc/88/30/59/384883059.db2.gz TYBKJOZJKBYCPI-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN COc1ccc(N)c(OC(F)F)c1C(C)=O ZINC000575718121 384886316 /nfs/dbraw/zinc/88/63/16/384886316.db2.gz YVKQWYBUKXLYHL-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOc1ccc2[nH]cc3c(=O)[nH]nc-3c2c1 ZINC000072237229 384840848 /nfs/dbraw/zinc/84/08/48/384840848.db2.gz FXYXDGZNYVHOMR-UHFFFAOYSA-N 0 0 229.239 2.215 10 0 BEAERN CCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)o1 ZINC000084225628 384848937 /nfs/dbraw/zinc/84/89/37/384848937.db2.gz DOVPHHBKZPZAAS-GWCFXTLKSA-N 0 0 223.316 2.093 10 0 BEAERN CC(=O)c1cc(O)cc(N)c1C(F)(F)F ZINC000575718812 384888674 /nfs/dbraw/zinc/88/86/74/384888674.db2.gz LCDUVKHNKFXLIA-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Cc1cnn(CCCNc2ccccn2)c1 ZINC000301066549 384860878 /nfs/dbraw/zinc/86/08/78/384860878.db2.gz BCQQUMZIDDJYNS-UHFFFAOYSA-N 0 0 216.288 2.089 10 0 BEAERN C[C@H](C[C@@H]1CCCO1)Nc1cncc(Cl)n1 ZINC000301146224 384862674 /nfs/dbraw/zinc/86/26/74/384862674.db2.gz AWRMHGGIAYQGHW-BDAKNGLRSA-N 0 0 241.722 2.500 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)C(=O)C1CCC1 ZINC000085495021 384953782 /nfs/dbraw/zinc/95/37/82/384953782.db2.gz RLDVIWOAJOCRFE-QMMMGPOBSA-N 0 0 212.289 2.333 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc2ccccc2n1C ZINC000150079672 384960841 /nfs/dbraw/zinc/96/08/41/384960841.db2.gz BPXWHPFLSYSHSJ-UWVGGRQHSA-N 0 0 231.299 2.163 10 0 BEAERN CC(C)COc1cncc(N[C@H]2C[C@@H]2C)n1 ZINC000301539301 384890582 /nfs/dbraw/zinc/89/05/82/384890582.db2.gz BNDJEZQIILPUQZ-UWVGGRQHSA-N 0 0 221.304 2.332 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nc(CCOC)ns1 ZINC000301529523 384890653 /nfs/dbraw/zinc/89/06/53/384890653.db2.gz HCWGCLKIZXTUPR-BDAKNGLRSA-N 0 0 241.360 2.328 10 0 BEAERN COc1cc(C)cc(N)c1Br ZINC000575720674 384893609 /nfs/dbraw/zinc/89/36/09/384893609.db2.gz PAKNFNBAGKWVSH-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN COc1c(C)ccc(N)c1OC(F)F ZINC000575722811 384897964 /nfs/dbraw/zinc/89/79/64/384897964.db2.gz GUOKBXPVRWUPIG-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000027387112 384898808 /nfs/dbraw/zinc/89/88/08/384898808.db2.gz LPWBCZNSKDDCQH-UHFFFAOYSA-N 0 0 234.255 2.111 10 0 BEAERN CCOc1cc(N)cc(OCC)c1OC ZINC000575721437 384899374 /nfs/dbraw/zinc/89/93/74/384899374.db2.gz KZNMHKNXDHSECA-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN CCOC(=O)c1cc(C)c(OCC)cc1N ZINC000575723474 384900741 /nfs/dbraw/zinc/90/07/41/384900741.db2.gz BCZMFDSIRWNEEO-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1cc(C)cc(N)c1OCC ZINC000575724042 384906582 /nfs/dbraw/zinc/90/65/82/384906582.db2.gz QITDYVDHYLTLPT-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)c(O)cc1N ZINC000575724588 384908282 /nfs/dbraw/zinc/90/82/82/384908282.db2.gz KSAIYLJVHKJTHK-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Cc1nsc(N[C@H]2CCCCC[C@@H]2CO)n1 ZINC000301804008 384926768 /nfs/dbraw/zinc/92/67/68/384926768.db2.gz XOAKWYQTZFCKLV-ZJUUUORDSA-N 0 0 241.360 2.200 10 0 BEAERN CCCc1nnc(N[C@H]2CC[C@H](O)CC2)s1 ZINC000301762731 384932402 /nfs/dbraw/zinc/93/24/02/384932402.db2.gz DOAXLKRESVLXCP-KYZUINATSA-N 0 0 241.360 2.206 10 0 BEAERN CCn1ccnc1C[S@](=O)[C@@H](C)C(C)C ZINC000177296140 384946851 /nfs/dbraw/zinc/94/68/51/384946851.db2.gz NDRAOQJHIPGCDA-BONVTDFDSA-N 0 0 228.361 2.196 10 0 BEAERN CCn1ccnc1C[S@@](=O)C1CCCCC1 ZINC000177295974 384947034 /nfs/dbraw/zinc/94/70/34/384947034.db2.gz QTAYMZQUVLQXPW-MRXNPFEDSA-N 0 0 240.372 2.484 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187611010 384965476 /nfs/dbraw/zinc/96/54/76/384965476.db2.gz AKUUNIYJQBCHGR-MRVPVSSYSA-N 0 0 241.262 2.055 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nccc(C(C)(C)C)n1 ZINC000310327978 384979069 /nfs/dbraw/zinc/97/90/69/384979069.db2.gz KZZNGWLJYOOFQG-ZJUUUORDSA-N 0 0 235.331 2.363 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000310327976 384979540 /nfs/dbraw/zinc/97/95/40/384979540.db2.gz KZZNGWLJYOOFQG-VHSXEESVSA-N 0 0 235.331 2.363 10 0 BEAERN CCCc1nnc(NCCC(C)(C)O)s1 ZINC000302424950 384992156 /nfs/dbraw/zinc/99/21/56/384992156.db2.gz JWUIQVFVVSIOFW-UHFFFAOYSA-N 0 0 229.349 2.064 10 0 BEAERN O=C1Nc2cc(Cl)ccc2N2CCC[C@H]12 ZINC000086158652 384994522 /nfs/dbraw/zinc/99/45/22/384994522.db2.gz IUFADKPIOVABGG-SNVBAGLBSA-N 0 0 222.675 2.261 10 0 BEAERN O=C1Nc2cc(F)ccc2N2CCCC[C@@H]12 ZINC000086158679 384995761 /nfs/dbraw/zinc/99/57/61/384995761.db2.gz IBLVRMNLQZQNDL-NSHDSACASA-N 0 0 220.247 2.137 10 0 BEAERN CC[C@H](C)c1ccc2c(c1)C(=O)C(=O)N2 ZINC000019255281 384996262 /nfs/dbraw/zinc/99/62/62/384996262.db2.gz RBSPRPMOTLWFGV-ZETCQYMHSA-N 0 0 203.241 2.335 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1ncnc(Cl)c1NC ZINC000302542307 384997814 /nfs/dbraw/zinc/99/78/14/384997814.db2.gz IBFXNGXWLXVILM-BQBZGAKWSA-N 0 0 226.711 2.382 10 0 BEAERN Cc1cnc(NC[C@@H]2CCCC[C@@H]2O)s1 ZINC000302909716 385023243 /nfs/dbraw/zinc/02/32/43/385023243.db2.gz YSPVHNCSOFKDNM-UWVGGRQHSA-N 0 0 226.345 2.415 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(F)c1 ZINC000086789672 385048009 /nfs/dbraw/zinc/04/80/09/385048009.db2.gz INBXIWKUWHWZNU-KWQFWETISA-N 0 0 207.248 2.272 10 0 BEAERN Cc1ccn(C)c1C(=O)N[C@H](C)C(C)C ZINC000188962778 385109066 /nfs/dbraw/zinc/10/90/66/385109066.db2.gz XRANVBOPGKKQRO-SNVBAGLBSA-N 0 0 208.305 2.108 10 0 BEAERN Cc1ccc(NC2CC[NH+](C)CC2)cc1N ZINC000061701180 385131025 /nfs/dbraw/zinc/13/10/25/385131025.db2.gz DEWOODISYGYZHA-UHFFFAOYSA-N 0 0 219.332 2.083 10 0 BEAERN COc1c(C#N)ccc(CO)c1C(F)(F)F ZINC000575647101 385135709 /nfs/dbraw/zinc/13/57/09/385135709.db2.gz JQWQAVANPLTDTF-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN Nc1c(Cl)ncnc1OC1CCCC1 ZINC000062364838 385139273 /nfs/dbraw/zinc/13/92/73/385139273.db2.gz YUNJLHHBVQSLFR-UHFFFAOYSA-N 0 0 213.668 2.034 10 0 BEAERN Cc1coc(SC[C@H](O)C(C)(C)C)n1 ZINC000336685933 385101853 /nfs/dbraw/zinc/10/18/53/385101853.db2.gz LIFYGOVCUFGJOP-QMMMGPOBSA-N 0 0 215.318 2.482 10 0 BEAERN CC(C)(C)OCC(=O)OCc1cncs1 ZINC000129736881 385183150 /nfs/dbraw/zinc/18/31/50/385183150.db2.gz HNPGGKKOBWWZEH-UHFFFAOYSA-N 0 0 229.301 2.001 10 0 BEAERN Cc1ccc(N(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000109706834 385187200 /nfs/dbraw/zinc/18/72/00/385187200.db2.gz VACPOSSVXYSVGV-SNVBAGLBSA-N 0 0 233.233 2.354 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1CCCCCC1 ZINC000305072942 385190554 /nfs/dbraw/zinc/19/05/54/385190554.db2.gz PORIZDOOTSNQNN-GFCCVEGCSA-N 0 0 241.375 2.480 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000189643055 385172007 /nfs/dbraw/zinc/17/20/07/385172007.db2.gz GXKRWTRLAGYGCR-NEPJUHHUSA-N 0 0 248.326 2.452 10 0 BEAERN O=[N+]([O-])c1nc(CF)ccc1OC(F)(F)F ZINC000390156748 385179725 /nfs/dbraw/zinc/17/97/25/385179725.db2.gz WXXKXTUSVCZIGH-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000334748764 385211045 /nfs/dbraw/zinc/21/10/45/385211045.db2.gz YWCXJZOMTNQDOO-GWCFXTLKSA-N 0 0 223.291 2.028 10 0 BEAERN O=C(c1ccccn1)C(F)(F)C(F)(F)F ZINC000238554284 385256316 /nfs/dbraw/zinc/25/63/16/385256316.db2.gz MHCVDKWHPGDBTQ-UHFFFAOYSA-N 0 0 225.116 2.462 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000190229822 385223109 /nfs/dbraw/zinc/22/31/09/385223109.db2.gz PYLQAFXFUOKJBJ-GXTWGEPZSA-N 0 0 247.338 2.160 10 0 BEAERN CC(C)=C[C@@H](CCO)NC(=O)OC(C)(C)C ZINC000238161494 385224325 /nfs/dbraw/zinc/22/43/25/385224325.db2.gz AYNHNTRFLLEEDA-SNVBAGLBSA-N 0 0 229.320 2.228 10 0 BEAERN CCc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000152943732 385226724 /nfs/dbraw/zinc/22/67/24/385226724.db2.gz CPAVNYPGWSMLMJ-RYUDHWBXSA-N 0 0 247.338 2.498 10 0 BEAERN C[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751205 385257466 /nfs/dbraw/zinc/25/74/66/385257466.db2.gz ZWBDSPFRBFJPPP-QWRGUYRKSA-N 0 0 211.305 2.114 10 0 BEAERN CSCCC(=O)NCCC1=CCCC1 ZINC000131048228 385304835 /nfs/dbraw/zinc/30/48/35/385304835.db2.gz KVIJQHFTAFMILF-UHFFFAOYSA-N 0 0 213.346 2.356 10 0 BEAERN COc1nccc(NCc2cccs2)n1 ZINC000308955659 385307345 /nfs/dbraw/zinc/30/73/45/385307345.db2.gz QNKDCAMDAXWBBA-UHFFFAOYSA-N 0 0 221.285 2.159 10 0 BEAERN CCN(CCc1nccs1)C(=O)c1cc[nH]c1 ZINC000131232703 385318841 /nfs/dbraw/zinc/31/88/41/385318841.db2.gz WMXPENYGFWVLLQ-UHFFFAOYSA-N 0 0 249.339 2.176 10 0 BEAERN O=C1CCc2ccc(cc2)CCCCCN1 ZINC000238604100 385261415 /nfs/dbraw/zinc/26/14/15/385261415.db2.gz RIQMIXXJRIHBAH-UHFFFAOYSA-N 0 0 217.312 2.462 10 0 BEAERN COC(=O)c1cc(C(F)(F)C(F)(F)F)no1 ZINC000575602189 385264639 /nfs/dbraw/zinc/26/46/39/385264639.db2.gz HUMXWGOOPCCLIP-UHFFFAOYSA-N 0 0 245.103 2.115 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000575601991 385266026 /nfs/dbraw/zinc/26/60/26/385266026.db2.gz JPOPFOVLQMHFBU-QWHCGFSZSA-N 0 0 227.311 2.408 10 0 BEAERN CCOP(=O)(OCC)c1ccn(C(C)=O)c1 ZINC000015446275 385272797 /nfs/dbraw/zinc/27/27/97/385272797.db2.gz QHMVQODTMHSJBN-UHFFFAOYSA-N 0 0 245.215 2.040 10 0 BEAERN Brc1nnc(C2CCSCC2)o1 ZINC000259335083 385284107 /nfs/dbraw/zinc/28/41/07/385284107.db2.gz KYMQBSOCOREZLT-UHFFFAOYSA-N 0 0 249.133 2.443 10 0 BEAERN CC(C)CCn1cccc1-c1noc(CN)n1 ZINC000409424398 385332464 /nfs/dbraw/zinc/33/24/64/385332464.db2.gz ZSFBVTMPWSNBHD-UHFFFAOYSA-N 0 0 234.303 2.043 10 0 BEAERN CCCCCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000131537154 385342827 /nfs/dbraw/zinc/34/28/27/385342827.db2.gz VWPDGEWYBCJGTK-SNVBAGLBSA-N 0 0 235.331 2.136 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(C)c(F)c1 ZINC000193247749 385389423 /nfs/dbraw/zinc/38/94/23/385389423.db2.gz GWHZQKJPOJEQOI-VIFPVBQESA-N 0 0 226.247 2.322 10 0 BEAERN CCCc1cc(NC(=O)[C@H](C)CC)n[nH]1 ZINC000109911796 385353476 /nfs/dbraw/zinc/35/34/76/385353476.db2.gz JUPSKTTUOPWYRX-MRVPVSSYSA-N 0 0 209.293 2.347 10 0 BEAERN CCCCN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000131837412 385365710 /nfs/dbraw/zinc/36/57/10/385365710.db2.gz KKVHKMWDWRMYGK-JTQLQIEISA-N 0 0 235.331 2.088 10 0 BEAERN Nc1ncnn1-c1ccc(Cl)c(Cl)c1 ZINC000054404500 385326197 /nfs/dbraw/zinc/32/61/97/385326197.db2.gz IMTOXPNAWNAHKA-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN Nc1ncnn1-c1ccc(Cl)cc1Cl ZINC000054404510 385326205 /nfs/dbraw/zinc/32/62/05/385326205.db2.gz DGYHHCYZSPCDJD-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1C[C@@H]1C ZINC000155488784 385393132 /nfs/dbraw/zinc/39/31/32/385393132.db2.gz CWCQWMCIEFDJQW-RNSXUZJQSA-N 0 0 235.331 2.045 10 0 BEAERN Cc1nnc(CN[C@@H](C)c2cccs2)o1 ZINC000181063322 385403096 /nfs/dbraw/zinc/40/30/96/385403096.db2.gz JRSRJQZJZINDDS-ZETCQYMHSA-N 0 0 223.301 2.290 10 0 BEAERN Cc1nc(C)c(F)c(NCCCCF)n1 ZINC000309097551 385407664 /nfs/dbraw/zinc/40/76/64/385407664.db2.gz FLSKTQBVZFKOIG-UHFFFAOYSA-N 0 0 215.247 2.394 10 0 BEAERN C[C@H](CO)Sc1ccc(F)c(F)c1 ZINC000259067391 385439059 /nfs/dbraw/zinc/43/90/59/385439059.db2.gz NCOPQSGWFXGTDB-ZCFIWIBFSA-N 0 0 204.241 2.438 10 0 BEAERN FC1(Cc2ccc(Cl)s2)CNC1 ZINC000156388867 385449403 /nfs/dbraw/zinc/44/94/03/385449403.db2.gz WKKLETYTALGLFA-UHFFFAOYSA-N 0 0 205.685 2.256 10 0 BEAERN Cc1ccoc1-c1nc(Br)no1 ZINC000156576219 385458150 /nfs/dbraw/zinc/45/81/50/385458150.db2.gz DTJBTAUIHPRLFG-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN CCOc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000171066016 385465794 /nfs/dbraw/zinc/46/57/94/385465794.db2.gz JBZLDURJGSZPEO-CABZTGNLSA-N 0 0 219.284 2.224 10 0 BEAERN Cn1cc([C@H]2CCCN2CC(F)(F)F)cn1 ZINC000171412093 385483110 /nfs/dbraw/zinc/48/31/10/385483110.db2.gz HTJOLRMNESKTGO-SECBINFHSA-N 0 0 233.237 2.119 10 0 BEAERN c1cn(-c2cnccn2)nc1-c1ccccc1 ZINC000156571184 385458946 /nfs/dbraw/zinc/45/89/46/385458946.db2.gz OLLUEJFNEJTVAG-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN C[C@H](NC(=O)Nc1ccsc1)[C@@H]1CCCO1 ZINC000157246374 385494354 /nfs/dbraw/zinc/49/43/54/385494354.db2.gz BHEOLDQKCSXLNV-WPRPVWTQSA-N 0 0 240.328 2.437 10 0 BEAERN CC(C)c1nccc(N2CCC([C@@H](C)O)CC2)n1 ZINC000110600063 385495488 /nfs/dbraw/zinc/49/54/88/385495488.db2.gz NMQXTUYSXQTGTD-LLVKDONJSA-N 0 0 249.358 2.197 10 0 BEAERN CCOC(=O)Cc1cc(OC)c(OC)cc1C ZINC000257820834 385503830 /nfs/dbraw/zinc/50/38/30/385503830.db2.gz DRRCBBCEHULOOI-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)Cc2cc(C)on2)o1 ZINC000172050351 385545036 /nfs/dbraw/zinc/54/50/36/385545036.db2.gz JSWMGNZZTZKFDB-JTQLQIEISA-N 0 0 248.282 2.304 10 0 BEAERN Cc1nnc(NC[C@@H]2CCO[C@H]2C(C)C)s1 ZINC000309347680 385546519 /nfs/dbraw/zinc/54/65/19/385546519.db2.gz MBDZBHQFVKNRAY-UWVGGRQHSA-N 0 0 241.360 2.320 10 0 BEAERN FC1(c2cccc(Br)c2)CNC1 ZINC000258030695 385528320 /nfs/dbraw/zinc/52/83/20/385528320.db2.gz NVRFVJULWVUJID-UHFFFAOYSA-N 0 0 230.080 2.217 10 0 BEAERN Cc1nc(C)c(F)c(NCC2(C)CC2)n1 ZINC000309479433 385605394 /nfs/dbraw/zinc/60/53/94/385605394.db2.gz DABPYLAFVOCFOK-UHFFFAOYSA-N 0 0 209.268 2.445 10 0 BEAERN Cc1nc(C)c(F)c(NCCC2(C)CC2)n1 ZINC000336681736 385636708 /nfs/dbraw/zinc/63/67/08/385636708.db2.gz DABGGZAYEJFCKX-UHFFFAOYSA-N 0 0 223.295 2.257 10 0 BEAERN COC(=O)c1c(OC)ccc(C)c1Cl ZINC000260031055 385651475 /nfs/dbraw/zinc/65/14/75/385651475.db2.gz NWQHDNNTPDATFS-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc(C)c1F ZINC000182295173 385654790 /nfs/dbraw/zinc/65/47/90/385654790.db2.gz FNJFGPBZDGSIPZ-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)C1CC1 ZINC000117580999 385656657 /nfs/dbraw/zinc/65/66/57/385656657.db2.gz LCRNYCLIDYGUGO-ISTVAULSSA-N 0 0 245.322 2.466 10 0 BEAERN COC(=O)Cc1cc(OC)cc(C)c1Cl ZINC000260044146 385658077 /nfs/dbraw/zinc/65/80/77/385658077.db2.gz OMWWKDKVDAEYDB-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(OC)c1OC ZINC000260098770 385672225 /nfs/dbraw/zinc/67/22/25/385672225.db2.gz NESAXWWPYSXQGJ-UHFFFAOYSA-N 0 0 244.674 2.073 10 0 BEAERN CCOC(=O)c1c(F)cc(OC)cc1OC ZINC000260168360 385718497 /nfs/dbraw/zinc/71/84/97/385718497.db2.gz VRCGFHAHHNYGCH-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccc(F)cc1C ZINC000182430744 385670400 /nfs/dbraw/zinc/67/04/00/385670400.db2.gz AKBVUIFNBBRLSA-SNVBAGLBSA-N 0 0 240.274 2.460 10 0 BEAERN C[C@@H]1C[C@H](C(=O)Nc2nc[nH]n2)CC(C)(C)C1 ZINC000183194505 385742204 /nfs/dbraw/zinc/74/22/04/385742204.db2.gz USJOTAIJPJSHLO-BDAKNGLRSA-N 0 0 236.319 2.206 10 0 BEAERN CC[C@@H](COC)Nc1nc(C)nc(C)c1F ZINC000336724670 385751180 /nfs/dbraw/zinc/75/11/80/385751180.db2.gz FOWWRSJPXVMNCE-VIFPVBQESA-N 0 0 227.283 2.069 10 0 BEAERN CC[C@@H](NCC(F)(F)CO)C(C)(C)C ZINC000336656662 385786653 /nfs/dbraw/zinc/78/66/53/385786653.db2.gz ORXSCIDLMUOVHU-MRVPVSSYSA-N 0 0 209.280 2.028 10 0 BEAERN COC(=O)CCCNc1nc2ccccc2o1 ZINC000259304335 385781988 /nfs/dbraw/zinc/78/19/88/385781988.db2.gz DUJJUFBJNZJERM-UHFFFAOYSA-N 0 0 234.255 2.193 10 0 BEAERN COC(=O)c1sc(N[C@@H]2C[C@@H]2C)nc1Cl ZINC000052297904 385721599 /nfs/dbraw/zinc/72/15/99/385721599.db2.gz DBRGLMIPBIVRCF-CRCLSJGQSA-N 0 0 246.719 2.403 10 0 BEAERN COC(=O)c1sc(N[C@@H]2C[C@H]2C)nc1Cl ZINC000052297902 385722302 /nfs/dbraw/zinc/72/23/02/385722302.db2.gz DBRGLMIPBIVRCF-RFZPGFLSSA-N 0 0 246.719 2.403 10 0 BEAERN CCO[C@@H]1OC(=O)[C@@H]2[C@H](CC[C@@H]2C)[C@@H]1C ZINC000215995056 385856691 /nfs/dbraw/zinc/85/66/91/385856691.db2.gz SQKOYPMIMBRHSW-GOVZDWNOSA-N 0 0 212.289 2.204 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)Cc1cccc(O)c1 ZINC000231694916 385815538 /nfs/dbraw/zinc/81/55/38/385815538.db2.gz XQUDPVLCQGBWNI-WCQYABFASA-N 0 0 233.311 2.240 10 0 BEAERN Cc1cc(-n2ccnc2)nc(-c2ccncc2)n1 ZINC000112072924 385831872 /nfs/dbraw/zinc/83/18/72/385831872.db2.gz XZCPKQVICKEWGV-UHFFFAOYSA-N 0 0 237.266 2.033 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCO[C@H](C)C1 ZINC000413220840 385832062 /nfs/dbraw/zinc/83/20/62/385832062.db2.gz QPLXXQYENCTMQG-MNOVXSKESA-N 0 0 235.331 2.001 10 0 BEAERN CCOC(=O)c1ccc(F)c(OC)c1OC ZINC000260316132 385833093 /nfs/dbraw/zinc/83/30/93/385833093.db2.gz XKOMNCJTARBQSS-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN c1cc(CNCc2ccc3ccccc3n2)n[nH]1 ZINC000112343470 385839718 /nfs/dbraw/zinc/83/97/18/385839718.db2.gz UDEAPZQWEUNSEN-UHFFFAOYSA-N 0 0 238.294 2.248 10 0 BEAERN Cn1ccc(CN[C@H]2CCc3ccccc32)n1 ZINC000112339701 385840064 /nfs/dbraw/zinc/84/00/64/385840064.db2.gz KNKTWVPUUOAREL-AWEZNQCLSA-N 0 0 227.311 2.197 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nccc2occc21 ZINC000231331215 385794823 /nfs/dbraw/zinc/79/48/23/385794823.db2.gz SUAIRCRHEHDRQC-SCZZXKLOSA-N 0 0 218.256 2.417 10 0 BEAERN Nc1noc([C@]23C[C@H]2CCC3)c1Br ZINC000575531041 385874181 /nfs/dbraw/zinc/87/41/81/385874181.db2.gz GNJCPVXAPFXSJK-MLUIRONXSA-N 0 0 243.104 2.291 10 0 BEAERN Cc1nc(C2(NCC(F)(F)F)CCCC2)no1 ZINC000161591591 385977567 /nfs/dbraw/zinc/97/75/67/385977567.db2.gz NEXVJJXXALGVEW-UHFFFAOYSA-N 0 0 249.236 2.299 10 0 BEAERN COc1ccc(C(=O)c2snnc2C)s1 ZINC000307160720 385990803 /nfs/dbraw/zinc/99/08/03/385990803.db2.gz FJILNTFWRCCMIY-UHFFFAOYSA-N 0 0 240.309 2.148 10 0 BEAERN CCOC(=O)c1cc(OC)c(O)cc1Cl ZINC000261035380 386004649 /nfs/dbraw/zinc/00/46/49/386004649.db2.gz GQPJOCKZSJWLQT-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CCOC(=O)c1cc(N)cc(CC)c1OC ZINC000261141918 386010447 /nfs/dbraw/zinc/01/04/47/386010447.db2.gz OWQSXFOQXWGQLY-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CC[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000189480263 386013417 /nfs/dbraw/zinc/01/34/17/386013417.db2.gz FIRGIVZVCVEJQC-TUAOUCFPSA-N 0 0 227.348 2.090 10 0 BEAERN O=c1[nH]ncc(Cl)c1-c1ccc(F)cc1 ZINC000261506885 386027172 /nfs/dbraw/zinc/02/71/72/386027172.db2.gz CBHCBPMXAWPICX-UHFFFAOYSA-N 0 0 224.622 2.229 10 0 BEAERN CC[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037998954 386107358 /nfs/dbraw/zinc/10/73/58/386107358.db2.gz BBNSXXWUWJDDJK-SECBINFHSA-N 0 0 201.216 2.383 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000230173275 134486107 /nfs/dbraw/zinc/48/61/07/134486107.db2.gz SDNMVTBZTMMTOF-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000112834749 386122464 /nfs/dbraw/zinc/12/24/64/386122464.db2.gz WXQARDXMBWHNHU-WISYIIOYSA-N 0 0 227.348 2.210 10 0 BEAERN Cc1ccc(CNc2ncccc2N)o1 ZINC000053035809 386171420 /nfs/dbraw/zinc/17/14/20/386171420.db2.gz RSNPBOWAGNNEIV-UHFFFAOYSA-N 0 0 203.245 2.177 10 0 BEAERN c1ccc(Cc2nnc3ccncc3n2)cc1 ZINC000000002210 386127216 /nfs/dbraw/zinc/12/72/16/386127216.db2.gz ROINDGIBYTXRFE-UHFFFAOYSA-N 0 0 222.251 2.011 10 0 in-man BEAERN Clc1cncc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000132040461 386219608 /nfs/dbraw/zinc/21/96/08/386219608.db2.gz PCVKCWHUVLOJPP-RKDXNWHRSA-N 0 0 223.707 2.366 10 0 BEAERN Clc1cncc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000132040680 386219980 /nfs/dbraw/zinc/21/99/80/386219980.db2.gz PCVKCWHUVLOJPP-IUCAKERBSA-N 0 0 223.707 2.366 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1ccccc1OC ZINC000091692165 386224483 /nfs/dbraw/zinc/22/44/83/386224483.db2.gz DXSIVBWICLKCAB-MNOVXSKESA-N 0 0 220.268 2.362 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCC(=O)C(C)(C)C ZINC000230175966 134487077 /nfs/dbraw/zinc/48/70/77/134487077.db2.gz PPAXPTABRBKRBN-ZJUUUORDSA-N 0 0 225.332 2.154 10 0 BEAERN O=C(c1ccc(Cl)cc1F)N1CCCO1 ZINC000125375479 386245014 /nfs/dbraw/zinc/24/50/14/386245014.db2.gz YGPKUTCHXJIBPH-UHFFFAOYSA-N 0 0 229.638 2.257 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(F)c1C#N ZINC000396147211 386250673 /nfs/dbraw/zinc/25/06/73/386250673.db2.gz XNNQLBSBWVWQQA-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN Cc1cnn(CCNc2ccnc(Cl)c2)c1 ZINC000125701892 386294941 /nfs/dbraw/zinc/29/49/41/386294941.db2.gz IJZJFHWALVFBPC-UHFFFAOYSA-N 0 0 236.706 2.352 10 0 BEAERN CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)[O-] ZINC000125698113 386295794 /nfs/dbraw/zinc/29/57/94/386295794.db2.gz HANXBTUHYJJZBE-DCAQKATOSA-N 0 0 213.321 2.264 10 0 BEAERN CCc1ccccc1C(=O)N1CCCO1 ZINC000125472121 386266049 /nfs/dbraw/zinc/26/60/49/386266049.db2.gz HRPJODKTKNMVIE-UHFFFAOYSA-N 0 0 205.257 2.027 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)CC2CC2)cc(=O)[nH]1 ZINC000133760648 386345044 /nfs/dbraw/zinc/34/50/44/386345044.db2.gz BBCJZLWKAHWUKS-MRVPVSSYSA-N 0 0 234.299 2.014 10 0 BEAERN O=C1CCCC[C@@H]1S[C@H]1CCOC1 ZINC000575595119 386369387 /nfs/dbraw/zinc/36/93/87/386369387.db2.gz VROWQWFXZCWVED-WPRPVWTQSA-N 0 0 200.303 2.020 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)CCC1CCCC1 ZINC000399179955 386437217 /nfs/dbraw/zinc/43/72/17/386437217.db2.gz JLKIXHPRQNDGGT-WCQYABFASA-N 0 0 239.359 2.329 10 0 BEAERN CCn1c2ccccc2nc1[S@](C)(=O)=NC ZINC000521399637 386437421 /nfs/dbraw/zinc/43/74/21/386437421.db2.gz AJZPASUTBRARIG-INIZCTEOSA-N 0 0 237.328 2.143 10 0 BEAERN C[C@@H]1[C@@H](C)CN1c1nnc(Br)s1 ZINC000575599626 386397376 /nfs/dbraw/zinc/39/73/76/386397376.db2.gz QZCURGANQNJGTA-CRCLSJGQSA-N 0 0 248.149 2.145 10 0 BEAERN CC(C)n1ccnc1CS[C@@H](C)[C@H](C)O ZINC000266243412 386417267 /nfs/dbraw/zinc/41/72/67/386417267.db2.gz MUEKPJMPOXFYTK-UWVGGRQHSA-N 0 0 228.361 2.467 10 0 BEAERN O=C(c1cncc(O)c1)N1CCCC12CCCC2 ZINC000310941708 386452228 /nfs/dbraw/zinc/45/22/28/386452228.db2.gz JXAXUSVBPCEFOF-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN Brc1nnc(C2CC2)n1C1CC1 ZINC000521399175 386427949 /nfs/dbraw/zinc/42/79/49/386427949.db2.gz IRLLRDFCURSIPY-UHFFFAOYSA-N 0 0 228.093 2.253 10 0 BEAERN CCCCNc1nccn(CC(C)C)c1=O ZINC000061762135 386483131 /nfs/dbraw/zinc/48/31/31/386483131.db2.gz VCBQORCJZUEGFT-UHFFFAOYSA-N 0 0 223.320 2.111 10 0 BEAERN COCc1csc(NC(=O)N(C)C(C)C)n1 ZINC000135099110 386485289 /nfs/dbraw/zinc/48/52/89/386485289.db2.gz VGADNSKFWBKGLW-UHFFFAOYSA-N 0 0 243.332 2.162 10 0 BEAERN CC(C)(C)OC(=O)Nc1cnc2cnccn21 ZINC000299889452 386498349 /nfs/dbraw/zinc/49/83/49/386498349.db2.gz JOYOXFKCJWFEDE-UHFFFAOYSA-N 0 0 234.259 2.076 10 0 BEAERN CO[C@H](C[N@@H+]1C[C@H](O)CC[C@@H]1C)c1ccccc1 ZINC000399323995 386504524 /nfs/dbraw/zinc/50/45/24/386504524.db2.gz KBVWLPLLJRSCRZ-NWANDNLSSA-N 0 0 249.354 2.219 10 0 BEAERN CCc1cc(C#N)c(OC)cc1C(C)=O ZINC000575643599 386581029 /nfs/dbraw/zinc/58/10/29/386581029.db2.gz BJXSIPKHRWUMJV-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000111879887 386581900 /nfs/dbraw/zinc/58/19/00/386581900.db2.gz NVPFIALYRSQLEE-SCDSUCTJSA-N 0 0 244.338 2.424 10 0 BEAERN CCc1cc(C(C)=O)cc(C#N)c1C=O ZINC000575643928 386582422 /nfs/dbraw/zinc/58/24/22/386582422.db2.gz CCTVUBUNDSXAMN-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCOc1cc(C#N)c(C)c(C(C)=O)c1 ZINC000575644110 386583565 /nfs/dbraw/zinc/58/35/65/386583565.db2.gz ALCMTGOJKKSKAA-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CC[C@H](Sc1ccc(F)c(F)c1)C(N)=O ZINC000061680083 386532663 /nfs/dbraw/zinc/53/26/63/386532663.db2.gz RLUWNGXPRVUZCR-VIFPVBQESA-N 0 0 231.267 2.321 10 0 BEAERN Cc1c([N+](=O)[O-])cc(CO)cc1C(F)(F)F ZINC000575637701 386548502 /nfs/dbraw/zinc/54/85/02/386548502.db2.gz DZAWKZGQHYRROA-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1c(N)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575638046 386554341 /nfs/dbraw/zinc/55/43/41/386554341.db2.gz NCPCHPPBAXXNKQ-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1ccc(OC(F)F)c(C=O)c1C#N ZINC000575638096 386554863 /nfs/dbraw/zinc/55/48/63/386554863.db2.gz DLHVFUPHVLPVOH-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1ccc(N)c(C(F)(F)F)c1C ZINC000575638893 386559180 /nfs/dbraw/zinc/55/91/80/386559180.db2.gz FPZVHLUSVIRCBZ-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1c(C#N)cc(OC(F)F)cc1CO ZINC000575639280 386560555 /nfs/dbraw/zinc/56/05/55/386560555.db2.gz PZHOFSJSPCRZJG-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN O=C(C(F)F)N1CCCC[C@H]1c1nccs1 ZINC000278661612 386561362 /nfs/dbraw/zinc/56/13/62/386561362.db2.gz MQHOIKZLEDMNAU-ZETCQYMHSA-N 0 0 246.282 2.462 10 0 BEAERN CCOc1cc(CO)cc(OC(F)F)c1C#N ZINC000575639756 386561946 /nfs/dbraw/zinc/56/19/46/386561946.db2.gz TYSKUCPGRWKPNC-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COc1cc(F)cc(OC(F)F)c1C#N ZINC000575640152 386562679 /nfs/dbraw/zinc/56/26/79/386562679.db2.gz LCAASUCIQCMHAF-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1c(OC(F)F)ccc(C#N)c1CO ZINC000575639607 386563757 /nfs/dbraw/zinc/56/37/57/386563757.db2.gz SMVRTCLPPZWFAI-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN CCOc1c(C=O)cc(C#N)cc1OC(F)F ZINC000575640502 386567927 /nfs/dbraw/zinc/56/79/27/386567927.db2.gz ZKLWNUCVDQSNLZ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COCc1csc(NC(=O)NC(C)(C)C)n1 ZINC000136057394 386569780 /nfs/dbraw/zinc/56/97/80/386569780.db2.gz HQRDSUUSNQNVMV-UHFFFAOYSA-N 0 0 243.332 2.210 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1cncc(Cl)n1 ZINC000050376735 386671332 /nfs/dbraw/zinc/67/13/32/386671332.db2.gz ZRNFCFKGQOOLTJ-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN FC1(F)CCCC[C@H]1NC1CSC1 ZINC000307474837 386676525 /nfs/dbraw/zinc/67/65/25/386676525.db2.gz SUVRHGXHHKRNSC-MRVPVSSYSA-N 0 0 207.289 2.269 10 0 BEAERN CCOC(=O)Cc1cc(OC(F)(F)F)ccn1 ZINC000575340461 386686203 /nfs/dbraw/zinc/68/62/03/386686203.db2.gz SKVVPMCFYBEXFX-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN Cc1ccn2c(C=O)c(C3CC3)nc2c1 ZINC000001527686 386689114 /nfs/dbraw/zinc/68/91/14/386689114.db2.gz QPBXCUWTLVACIR-UHFFFAOYSA-N 0 0 200.241 2.333 10 0 BEAERN CCCc1cc(Cl)n([C@H]2CCOC2)n1 ZINC000307506501 386697987 /nfs/dbraw/zinc/69/79/87/386697987.db2.gz YJOIIZAXJNTUHE-VIFPVBQESA-N 0 0 214.696 2.450 10 0 BEAERN O[C@@H](c1ccsn1)c1ncc(Cl)s1 ZINC000307525610 386703484 /nfs/dbraw/zinc/70/34/84/386703484.db2.gz JJAOLZAUDVVIQK-LURJTMIESA-N 0 0 232.717 2.335 10 0 BEAERN COCCNc1ccc(O)c(Cl)c1 ZINC000306921675 386708453 /nfs/dbraw/zinc/70/84/53/386708453.db2.gz RJSRVSNIGHZLTC-UHFFFAOYSA-N 0 0 201.653 2.104 10 0 BEAERN CCN(C(=O)NC[C@H](O)CC(C)(C)C)C(C)C ZINC000186082668 386734532 /nfs/dbraw/zinc/73/45/32/386734532.db2.gz MAEWJQVIEIFAGH-LLVKDONJSA-N 0 0 244.379 2.223 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1cc(F)cc(F)c1 ZINC000575358420 386736556 /nfs/dbraw/zinc/73/65/56/386736556.db2.gz UBTCQULDBOJWHD-UHFFFAOYSA-N 0 0 242.221 2.489 10 0 BEAERN CCC(C)(C)CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000192195869 386739914 /nfs/dbraw/zinc/73/99/14/386739914.db2.gz HSDIXAMJHHDGDG-MNOVXSKESA-N 0 0 227.348 2.354 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1cnc(Cl)s1 ZINC000296386942 386712685 /nfs/dbraw/zinc/71/26/85/386712685.db2.gz UBMTYXVAOYPLOE-APPZFPTMSA-N 0 0 246.763 2.142 10 0 BEAERN CO[C@H](C)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114439350 386750370 /nfs/dbraw/zinc/75/03/70/386750370.db2.gz AFHNVIFZBFFLRM-OCCSQVGLSA-N 0 0 237.343 2.370 10 0 BEAERN COC(=O)CCCC(=O)c1ccc(F)cc1F ZINC000575361733 386762777 /nfs/dbraw/zinc/76/27/77/386762777.db2.gz AVAJBCFFFVTICH-UHFFFAOYSA-N 0 0 242.221 2.491 10 0 BEAERN C[C@H](COCc1ccccc1)NCc1cocn1 ZINC000192319907 386763780 /nfs/dbraw/zinc/76/37/80/386763780.db2.gz HEHHVMYTDBLZJG-GFCCVEGCSA-N 0 0 246.310 2.370 10 0 BEAERN CNc1nc2ccc(NC(C)=O)cc2s1 ZINC000045238023 386744039 /nfs/dbraw/zinc/74/40/39/386744039.db2.gz YPYAGNMJHWIZMQ-UHFFFAOYSA-N 0 0 221.285 2.296 10 0 in-vitro BEAERN C[C@](O)(c1cccnc1Br)C1CC1 ZINC000575449885 386792003 /nfs/dbraw/zinc/79/20/03/386792003.db2.gz USRIHKSIYXMIIR-SNVBAGLBSA-N 0 0 242.116 2.462 10 0 BEAERN CC[C@H](OC)c1noc([C@H]2CCCOCC2)n1 ZINC000329665907 386773249 /nfs/dbraw/zinc/77/32/49/386773249.db2.gz KRYBAWSDCIYLMS-UWVGGRQHSA-N 0 0 240.303 2.451 10 0 BEAERN CCS(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114499654 386796722 /nfs/dbraw/zinc/79/67/22/386796722.db2.gz QGXJHAAUUWQWCK-GFCCVEGCSA-N 0 0 243.372 2.158 10 0 BEAERN C[C@H](CCCCO)NC(=O)[C@H]1CCC[C@H]1C ZINC000398425344 386820723 /nfs/dbraw/zinc/82/07/23/386820723.db2.gz KRRBMOVFZOBKJW-UTUOFQBUSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)[C@@H]1OCC[C@H]1CNc1ncc(F)cn1 ZINC000269463327 386797424 /nfs/dbraw/zinc/79/74/24/386797424.db2.gz HPCLTKSWUWRNBV-ONGXEEELSA-N 0 0 239.294 2.089 10 0 BEAERN COC(=O)Cc1cc(C)nc(OC(F)(F)F)c1 ZINC000575374931 386799909 /nfs/dbraw/zinc/79/99/09/386799909.db2.gz BEILDTFPRULBMY-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN Cc1nc(CN(C)c2cc(C)nc(C)n2)cs1 ZINC000301063360 386815879 /nfs/dbraw/zinc/81/58/79/386815879.db2.gz COXXPHNECHSHMD-UHFFFAOYSA-N 0 0 248.355 2.495 10 0 BEAERN Cc1cc(C)nc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000301418793 386842549 /nfs/dbraw/zinc/84/25/49/386842549.db2.gz MVPAFFFMVINTHA-STQMWFEESA-N 0 0 229.327 2.496 10 0 BEAERN CCSC[C@H](C)N(C)c1ncc(C)cn1 ZINC000301839045 386883880 /nfs/dbraw/zinc/88/38/80/386883880.db2.gz NUANOSCWASQRCO-JTQLQIEISA-N 0 0 225.361 2.363 10 0 BEAERN CC[C@H](CN[C@@H](C)c1ncc(C)o1)OC ZINC000336739635 386886363 /nfs/dbraw/zinc/88/63/63/386886363.db2.gz SPVNWLJSPBCAHE-VHSXEESVSA-N 0 0 212.293 2.059 10 0 BEAERN O=C([C@@H]1CCc2ccccc21)N1CC[C@H](F)C1 ZINC000334842383 386889027 /nfs/dbraw/zinc/88/90/27/386889027.db2.gz SCVBRBOJQZEAGF-WCQYABFASA-N 0 0 233.286 2.287 10 0 BEAERN Cc1nc(CN(C)c2cc(C)c(C)nn2)cs1 ZINC000302257124 386919303 /nfs/dbraw/zinc/91/93/03/386919303.db2.gz CCEGJDXPNUUQLX-UHFFFAOYSA-N 0 0 248.355 2.495 10 0 BEAERN CC[C@H](OC)c1noc([C@@H]2C[C@@]23CCOC3)n1 ZINC000329563188 386935651 /nfs/dbraw/zinc/93/56/51/386935651.db2.gz GRTZUXXLJYGBFL-HOTUBEGUSA-N 0 0 238.287 2.061 10 0 BEAERN Cc1cnc(N[C@H](C)[C@H]2CCCO2)s1 ZINC000302848044 386941338 /nfs/dbraw/zinc/94/13/38/386941338.db2.gz OPQYLUPEXXPQHR-RKDXNWHRSA-N 0 0 212.318 2.431 10 0 BEAERN C[C@]1(c2c(F)cccc2Cl)CC(=O)N1 ZINC000307633795 386961605 /nfs/dbraw/zinc/96/16/05/386961605.db2.gz OONMFKRQVSNQDN-SNVBAGLBSA-N 0 0 213.639 2.214 10 0 BEAERN CC[C@H](C)CC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398786619 386990887 /nfs/dbraw/zinc/99/08/87/386990887.db2.gz OSZPFEJUVQRTIY-CYDGBPFRSA-N 0 0 239.359 2.042 10 0 BEAERN CCOC(=O)Cc1c(F)cc(F)c(F)c1OC ZINC000575397415 386998694 /nfs/dbraw/zinc/99/86/94/386998694.db2.gz ATTKPPJHWNWLCY-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)ncc1OC ZINC000575397497 386999983 /nfs/dbraw/zinc/99/99/83/386999983.db2.gz YDNLRQZZCHVBFR-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOC(=O)c1cnc(OC)cc1C(F)(F)F ZINC000575397483 387000500 /nfs/dbraw/zinc/00/05/00/387000500.db2.gz VVAZUYPTOQJNFB-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCC(CC)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398689733 386950606 /nfs/dbraw/zinc/95/06/06/386950606.db2.gz BTOMEUHWHIFONV-RWMBFGLXSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CS[C@@H](c2cncc(Cl)c2)N1 ZINC000575577300 387035222 /nfs/dbraw/zinc/03/52/22/387035222.db2.gz PORQGGDQCVNTFK-MUWHJKNJSA-N 0 0 214.721 2.459 10 0 BEAERN CCOc1cc(OC(F)F)cc(CO)c1F ZINC000575654639 387038218 /nfs/dbraw/zinc/03/82/18/387038218.db2.gz CRSFCPQGHRRLSN-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CN1CCCC[C@H]1c1nsc(Cl)n1 ZINC000575463347 387043471 /nfs/dbraw/zinc/04/34/71/387043471.db2.gz MGUXHHPTPLTSNI-LURJTMIESA-N 0 0 217.725 2.348 10 0 BEAERN CCOc1cc(O)c(OC)cc1OC(F)F ZINC000575657377 387043853 /nfs/dbraw/zinc/04/38/53/387043853.db2.gz UKGZWIKPOFBVLL-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1cc(CO)cc(OC(F)F)c1C ZINC000575658147 387045538 /nfs/dbraw/zinc/04/55/38/387045538.db2.gz QZLRMZUQADCDMN-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCc1cc(CO)c(OC(F)F)c(OC)c1 ZINC000575658239 387046348 /nfs/dbraw/zinc/04/63/48/387046348.db2.gz QYAGPONXAXZLKB-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1ccc(CO)c(OC(F)F)c1OC ZINC000575658847 387047652 /nfs/dbraw/zinc/04/76/52/387047652.db2.gz WYOIGDCCQQEXOZ-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1c(OC)cc(CO)cc1OC(F)F ZINC000575659024 387049943 /nfs/dbraw/zinc/04/99/43/387049943.db2.gz ZGNFBDOSIBODJX-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCCCOCC(=O)N1CCCC1(C)C ZINC000118330518 387051954 /nfs/dbraw/zinc/05/19/54/387051954.db2.gz WYOSJUSNMIAOAQ-UHFFFAOYSA-N 0 0 213.321 2.204 10 0 BEAERN Cc1cc(OC(F)F)c(CO)cc1F ZINC000575660828 387053843 /nfs/dbraw/zinc/05/38/43/387053843.db2.gz AABGLRMHMXBTMW-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCCCN1c2ccccc2[C@]2(CO2)C1=O ZINC000575434157 387058471 /nfs/dbraw/zinc/05/84/71/387058471.db2.gz IOXIJHGCLCXGIW-CYBMUJFWSA-N 0 0 217.268 2.059 10 0 BEAERN NC(=O)c1c(Cl)nc(Cl)c2c1CCCC2 ZINC000575434293 387058589 /nfs/dbraw/zinc/05/85/89/387058589.db2.gz LBPSINMMGYBOAS-UHFFFAOYSA-N 0 0 245.109 2.366 10 0 BEAERN Cn1cc([C@@H]2C[C@H]2c2nc(C3(C)CC3)no2)cn1 ZINC000333253536 387023784 /nfs/dbraw/zinc/02/37/84/387023784.db2.gz SKQWJECSXJAIGN-VHSXEESVSA-N 0 0 244.298 2.126 10 0 BEAERN C[C@H]1C[C@]1(C)Nc1ncncc1Br ZINC000575577120 387027037 /nfs/dbraw/zinc/02/70/37/387027037.db2.gz BTTOOMFQJILLCM-RCOVLWMOSA-N 0 0 242.120 2.450 10 0 BEAERN Brc1cc(N2CC=CCC2)ncn1 ZINC000575456231 387027813 /nfs/dbraw/zinc/02/78/13/387027813.db2.gz OFGZUANQCBGFQT-UHFFFAOYSA-N 0 0 240.104 2.005 10 0 BEAERN CSc1ncc(C(F)(F)F)cc1N ZINC000575576500 387028108 /nfs/dbraw/zinc/02/81/08/387028108.db2.gz STHKITUXNLHVGR-UHFFFAOYSA-N 0 0 208.208 2.405 10 0 BEAERN S=c1[nH]cc(-c2ccc(Cl)cn2)[nH]1 ZINC000575467207 387077001 /nfs/dbraw/zinc/07/70/01/387077001.db2.gz ANFMGCPJFIXFFT-UHFFFAOYSA-N 0 0 211.677 2.414 10 0 BEAERN Nc1cc(-c2ncsc2Br)no1 ZINC000575468805 387093605 /nfs/dbraw/zinc/09/36/05/387093605.db2.gz MXJCGWZXJLUSDV-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Nc1cc(Br)c(O)cc1Cl ZINC000575470839 387103682 /nfs/dbraw/zinc/10/36/82/387103682.db2.gz IIUDXJGCBDZPRP-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN COc1cc(C(C)=O)c(C=O)cc1OC(F)F ZINC000575661822 387105303 /nfs/dbraw/zinc/10/53/03/387105303.db2.gz RKAAJHGICQQDPJ-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Brc1ccc(-c2cncs2)nn1 ZINC000575472037 387110160 /nfs/dbraw/zinc/11/01/60/387110160.db2.gz XUXLKNFMWCSBEP-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@@H](CF)Nc1ccncc1Br ZINC000575471870 387110276 /nfs/dbraw/zinc/11/02/76/387110276.db2.gz QWUYHEIQIKNLCW-LURJTMIESA-N 0 0 233.084 2.036 10 0 BEAERN CC[C@H]1c2cccn2CCN1Cc1cnn(C)c1 ZINC000072367979 387125790 /nfs/dbraw/zinc/12/57/90/387125790.db2.gz RRKIUCJYMCALNS-ZDUSSCGKSA-N 0 0 244.342 2.189 10 0 BEAERN COc1ncc2[nH]ccc2c1Br ZINC000089212952 387152061 /nfs/dbraw/zinc/15/20/61/387152061.db2.gz FMXFWGRGEVMWGL-UHFFFAOYSA-N 0 0 227.061 2.334 10 0 BEAERN O=C(c1cncc(O)c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000371162487 387157508 /nfs/dbraw/zinc/15/75/08/387157508.db2.gz DJDHWAMYHHKFFK-GXFFZTMASA-N 0 0 246.310 2.192 10 0 BEAERN CC[S@@](C)(=O)=Nc1cccc(OC)c1 ZINC000536949980 387161019 /nfs/dbraw/zinc/16/10/19/387161019.db2.gz DJUGJBJQTJTMRK-CQSZACIVSA-N 0 0 213.302 2.444 10 0 BEAERN O=C(N[C@@H]1CCC12CCCC2)C(F)(F)F ZINC000575478107 387161066 /nfs/dbraw/zinc/16/10/66/387161066.db2.gz LJVUVQLHFHOSHA-SSDOTTSWSA-N 0 0 221.222 2.388 10 0 BEAERN O=C1CCCCN1c1cccc(F)c1F ZINC000536951713 387163300 /nfs/dbraw/zinc/16/33/00/387163300.db2.gz ZIJZIALSTMLDOJ-UHFFFAOYSA-N 0 0 211.211 2.482 10 0 BEAERN COc1ccc([C@@H]2CNC(=O)C23CCC3)cc1 ZINC000536951824 387163788 /nfs/dbraw/zinc/16/37/88/387163788.db2.gz XLPBFYTZCNUMRR-LBPRGKRZSA-N 0 0 231.295 2.079 10 0 BEAERN Cc1ccc(F)c(CO)c1OC(F)F ZINC000575662002 387165897 /nfs/dbraw/zinc/16/58/97/387165897.db2.gz YZBXMGUTJGCSGB-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN C[C@@H]1CC[C@@](O)(Cc2nc(C(C)(C)C)no2)C1 ZINC000536952186 387166022 /nfs/dbraw/zinc/16/60/22/387166022.db2.gz AWEYIXHFHACVJY-RNCFNFMXSA-N 0 0 238.331 2.461 10 0 BEAERN CC[C@@H](C)c1nc2n(c1CO)CCCC2 ZINC000536953730 387166596 /nfs/dbraw/zinc/16/65/96/387166596.db2.gz JALWRTBACULKJX-SECBINFHSA-N 0 0 208.305 2.225 10 0 BEAERN CC(C)c1noc(C[C@]2(O)CC[C@@H](C)C2)n1 ZINC000536956211 387169383 /nfs/dbraw/zinc/16/93/83/387169383.db2.gz VDAOSWCSPLQWRQ-SKDRFNHKSA-N 0 0 224.304 2.287 10 0 BEAERN CC(C)c1noc(C[C@@]2(O)CC[C@@H](C)C2)n1 ZINC000536956200 387169742 /nfs/dbraw/zinc/16/97/42/387169742.db2.gz VDAOSWCSPLQWRQ-BXKDBHETSA-N 0 0 224.304 2.287 10 0 BEAERN Nc1cc(Br)cc([C@@H](O)C2CC2)c1 ZINC000575480432 387171515 /nfs/dbraw/zinc/17/15/15/387171515.db2.gz VSIJWTQZHKLYBA-JTQLQIEISA-N 0 0 242.116 2.475 10 0 BEAERN Cc1cc(CC(=O)N[C@H](C)c2ccc(C)o2)n[nH]1 ZINC000120040887 387175877 /nfs/dbraw/zinc/17/58/77/387175877.db2.gz PBTXVKWZULQAJS-SNVBAGLBSA-N 0 0 247.298 2.039 10 0 BEAERN Cc1cc(O)c(C=O)c(OC(F)F)c1 ZINC000575662802 387192026 /nfs/dbraw/zinc/19/20/26/387192026.db2.gz JBWTWURIPFOUGW-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN CCCCC(=O)Nc1nc(COC)cs1 ZINC000115242000 387134653 /nfs/dbraw/zinc/13/46/53/387134653.db2.gz ONQKCMRFEQWARO-UHFFFAOYSA-N 0 0 228.317 2.418 10 0 BEAERN COCc1csc(NC(=O)CC(C)C)n1 ZINC000115244464 387135450 /nfs/dbraw/zinc/13/54/50/387135450.db2.gz VBTISIHYANCHFS-UHFFFAOYSA-N 0 0 228.317 2.274 10 0 BEAERN Cc1c(Br)cnn1C1(C)CC1 ZINC000575440996 387137599 /nfs/dbraw/zinc/13/75/99/387137599.db2.gz GWMLYZWGJPVZFZ-UHFFFAOYSA-N 0 0 215.094 2.463 10 0 BEAERN CCc1csc(NCCn2cc(C)cn2)n1 ZINC000229052251 387137876 /nfs/dbraw/zinc/13/78/76/387137876.db2.gz SUYRPCUDBYXULW-UHFFFAOYSA-N 0 0 236.344 2.323 10 0 BEAERN CN(CC1CC1)C(=O)N[C@@H]1COc2ccccc21 ZINC000058575162 387192191 /nfs/dbraw/zinc/19/21/91/387192191.db2.gz NDZBXZVTGNNVEN-GFCCVEGCSA-N 0 0 246.310 2.172 10 0 BEAERN CSCCCCCNC(=O)N[C@H]1C[C@@H]1C ZINC000187783962 387212561 /nfs/dbraw/zinc/21/25/61/387212561.db2.gz FRFBXZQTOKXLTB-UWVGGRQHSA-N 0 0 230.377 2.227 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@@H]2C[C@H]2C)o1 ZINC000120235613 387214884 /nfs/dbraw/zinc/21/48/84/387214884.db2.gz HAQXQBPRWXTIAC-GMSGAONNSA-N 0 0 207.273 2.289 10 0 BEAERN CCCC1(CNC(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000120360017 387233473 /nfs/dbraw/zinc/23/34/73/387233473.db2.gz KCDZCDCPTMXWQR-NXEZZACHSA-N 0 0 210.321 2.274 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)CCCO ZINC000230176394 387240786 /nfs/dbraw/zinc/24/07/86/387240786.db2.gz RPTSJYNHCZRZBC-NEPJUHHUSA-N 0 0 241.375 2.338 10 0 BEAERN COc1ccc2c(c1)CCN2C(=O)c1ccc[nH]1 ZINC000058904535 387198665 /nfs/dbraw/zinc/19/86/65/387198665.db2.gz KRLMUZHBTXMEDS-UHFFFAOYSA-N 0 0 242.278 2.226 10 0 BEAERN COc1cc(OC(F)F)cc(O)c1C(C)=O ZINC000575662656 387200270 /nfs/dbraw/zinc/20/02/70/387200270.db2.gz FRTLZMXIWAQQSH-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(C(F)F)c(O)cc1CO ZINC000575666678 387319169 /nfs/dbraw/zinc/31/91/69/387319169.db2.gz KVFLDZCONWZBSI-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CSCCCCC(=O)N(C)C[C@H]1CCCO1 ZINC000120732513 387269338 /nfs/dbraw/zinc/26/93/38/387269338.db2.gz JFSCMSAFVXKTCU-LLVKDONJSA-N 0 0 245.388 2.157 10 0 BEAERN c1nscc1NC1CCSCC1 ZINC000575493382 387273398 /nfs/dbraw/zinc/27/33/98/387273398.db2.gz GLGKAFHLJVEVAA-UHFFFAOYSA-N 0 0 200.332 2.451 10 0 BEAERN C[C@H]1C[C@H](Nc2cnsc2)CS1 ZINC000575494197 387287381 /nfs/dbraw/zinc/28/73/81/387287381.db2.gz UVHANRFQBNMMDQ-BQBZGAKWSA-N 0 0 200.332 2.449 10 0 BEAERN COc1cc(OC(F)F)c(C)cc1CO ZINC000575664115 387291330 /nfs/dbraw/zinc/29/13/30/387291330.db2.gz CANMODQVVZFBCO-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN Cc1cnc([C@H](C)NCCOCC2CCC2)o1 ZINC000360503509 387301170 /nfs/dbraw/zinc/30/11/70/387301170.db2.gz KQDRXEWUJKSBND-NSHDSACASA-N 0 0 238.331 2.450 10 0 BEAERN CS[C@H](C)C(=O)N(C(C)C)C1CCOCC1 ZINC000121482986 387354552 /nfs/dbraw/zinc/35/45/52/387354552.db2.gz DXFKUARFIIKUQV-SNVBAGLBSA-N 0 0 245.388 2.154 10 0 BEAERN OCc1c(O)c(Cl)ccc1Br ZINC000575675343 387357532 /nfs/dbraw/zinc/35/75/32/387357532.db2.gz IFYAXQDAEDCNAQ-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN CC(C)(C)OCC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000648596157 387368123 /nfs/dbraw/zinc/36/81/23/387368123.db2.gz INZUIMILBKGPAL-HBNTYKKESA-N 0 0 225.332 2.106 10 0 BEAERN CC(C)(C)OC(=O)c1ccnn1C(F)(F)F ZINC000575602324 387370742 /nfs/dbraw/zinc/37/07/42/387370742.db2.gz YRUIBWDWCKRPIT-UHFFFAOYSA-N 0 0 236.193 2.315 10 0 BEAERN CCOc1cc(C)c(C(N)=O)cc1CC ZINC000575694200 387384545 /nfs/dbraw/zinc/38/45/45/387384545.db2.gz BGNBDEOSLCUEEH-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN Cc1c(N)n[nH]c1-c1occc1Br ZINC000575506345 387372504 /nfs/dbraw/zinc/37/25/04/387372504.db2.gz GECCSMLZUMQHHB-UHFFFAOYSA-N 0 0 242.076 2.153 10 0 BEAERN COc1ccc(CO)c(Br)c1F ZINC000575689232 387375416 /nfs/dbraw/zinc/37/54/16/387375416.db2.gz WNQUJEZRSBPMEO-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN O=Cc1cc(C=O)c(Br)cc1F ZINC000575688964 387375577 /nfs/dbraw/zinc/37/55/77/387375577.db2.gz AZSVANSWYPBSFB-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN Cc1cc(F)cc(CO)c1Br ZINC000575689698 387376760 /nfs/dbraw/zinc/37/67/60/387376760.db2.gz ZWXHCAKWGKMWFC-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1O ZINC000648605848 387376711 /nfs/dbraw/zinc/37/67/11/387376711.db2.gz YAWWAIBLJLXGTP-MVWJERBFSA-N 0 0 231.295 2.311 10 0 BEAERN COc1cc(Br)c(O)cc1C(C)=O ZINC000575690462 387381776 /nfs/dbraw/zinc/38/17/76/387381776.db2.gz QQRPEKBWNFAPME-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CCOc1c(OC)cc(OC)cc1C(C)=O ZINC000575694061 387381830 /nfs/dbraw/zinc/38/18/30/387381830.db2.gz CNKJGZNRUDIXMM-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN COc1c(O)cc(C)cc1OC(F)F ZINC000575666645 387320095 /nfs/dbraw/zinc/32/00/95/387320095.db2.gz XSAYAIHTOZPGNY-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN Cc1cc(CO)c(C(F)F)cc1C=O ZINC000575668836 387322069 /nfs/dbraw/zinc/32/20/69/387322069.db2.gz OPBPVEICFCEJHC-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CC[C@H](COC)NC(=O)NCCC1=CCCC1 ZINC000121283601 387323398 /nfs/dbraw/zinc/32/33/98/387323398.db2.gz XPBHWVICQKIYLY-GFCCVEGCSA-N 0 0 240.347 2.211 10 0 BEAERN CC(=O)c1cc(O)c(C=O)cc1C(F)F ZINC000575670135 387328488 /nfs/dbraw/zinc/32/84/88/387328488.db2.gz VYZKWASGMCXAEU-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN Cc1nc(Cl)nc(OC(C)(C)C)n1 ZINC000575595660 387333621 /nfs/dbraw/zinc/33/36/21/387333621.db2.gz RNQBBTYSGSTAIJ-UHFFFAOYSA-N 0 0 201.657 2.011 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121315718 387341063 /nfs/dbraw/zinc/34/10/63/387341063.db2.gz DRAPOFCPEGXNNV-AXFHLTTASA-N 0 0 213.321 2.105 10 0 BEAERN O=C1CO[C@H](c2occc2Br)C1 ZINC000575500706 387347864 /nfs/dbraw/zinc/34/78/64/387347864.db2.gz VCUWDECGAOHMIJ-ZETCQYMHSA-N 0 0 231.045 2.073 10 0 BEAERN Brc1nc2c(o1)CCC21CC1 ZINC000575599853 387351224 /nfs/dbraw/zinc/35/12/24/387351224.db2.gz XMSDYCCXBFGYAT-UHFFFAOYSA-N 0 0 214.062 2.415 10 0 BEAERN COC1(c2nnc(Cl)o2)CCCC1 ZINC000575599616 387353941 /nfs/dbraw/zinc/35/39/41/387353941.db2.gz PUNIIIVHFCIHCY-UHFFFAOYSA-N 0 0 202.641 2.139 10 0 BEAERN CCOc1cc(CC)cc(N)c1C(C)=O ZINC000575716445 387432450 /nfs/dbraw/zinc/43/24/50/387432450.db2.gz AVPHMCOAGXZDDR-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CC(=O)c1c(N)cc(F)cc1OC(F)F ZINC000575716210 387432555 /nfs/dbraw/zinc/43/25/55/387432555.db2.gz OBYFVXKNLGQLDD-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CC(=O)c1cc(N)c(OC(F)F)cc1F ZINC000575716634 387433854 /nfs/dbraw/zinc/43/38/54/387433854.db2.gz TZVDSMLZAKNNGK-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN COc1cc(C(C)=O)c(N)cc1OC(F)F ZINC000575717177 387435482 /nfs/dbraw/zinc/43/54/82/387435482.db2.gz MLNZDKQHRIZQFH-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOc1c(N)ccc(CC)c1C(C)=O ZINC000575717719 387436475 /nfs/dbraw/zinc/43/64/75/387436475.db2.gz RKMMBLLYHWIWMG-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CCOC(=O)c1cc(N)c(OC)c(CC)c1 ZINC000575724500 387438581 /nfs/dbraw/zinc/43/85/81/387438581.db2.gz LKSZCTXCBBMIDV-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN Nc1cc(O)c(OC(F)F)c(Cl)c1 ZINC000575720194 387441345 /nfs/dbraw/zinc/44/13/45/387441345.db2.gz HSSPKJHISDISQG-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(O)c(Cl)c(OC(F)F)c1 ZINC000575722549 387446236 /nfs/dbraw/zinc/44/62/36/387446236.db2.gz OQRXEMASRAJYSE-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN COc1ccc(N)c(OC(F)F)c1C ZINC000575722488 387446404 /nfs/dbraw/zinc/44/64/04/387446404.db2.gz DCUWUGMQVFKVCX-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOc1cc(O)c(N)c(Br)c1 ZINC000575722784 387446456 /nfs/dbraw/zinc/44/64/56/387446456.db2.gz MQPQJZRAQXGCLZ-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN COc1cc(C)c(N)cc1OC(F)F ZINC000575723502 387446530 /nfs/dbraw/zinc/44/65/30/387446530.db2.gz PJKAVNYVMUMFQX-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)Cc1cc(C)c(N)cc1OCC ZINC000575724197 387447296 /nfs/dbraw/zinc/44/72/96/387447296.db2.gz YXDQJCLCJVRHAE-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN COc1c(N)cc(C)cc1OC(F)F ZINC000575723797 387447440 /nfs/dbraw/zinc/44/74/40/387447440.db2.gz XMELBILUVZORFU-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)c1cc(CC)c(OCC)cc1N ZINC000575724041 387447481 /nfs/dbraw/zinc/44/74/81/387447481.db2.gz QGIPSRURPYMLLF-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1c(N)cc(CC)cc1F ZINC000575724047 387447487 /nfs/dbraw/zinc/44/74/87/387447487.db2.gz QNKZEJCRQTWCQP-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1c(N)cc(OC)cc1CC ZINC000575724242 387447696 /nfs/dbraw/zinc/44/76/96/387447696.db2.gz BOPJLKWXWBRLDS-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)c1cc(CC)cc(OCC)c1N ZINC000575724073 387447757 /nfs/dbraw/zinc/44/77/57/387447757.db2.gz RQFCMGRLCZZJCA-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1cc(N)c(C)cc1CC ZINC000575724253 387448889 /nfs/dbraw/zinc/44/88/89/387448889.db2.gz BYOSPMGHZZQDSX-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CCOC(=O)c1cc(N)c(OC)cc1CC ZINC000575725357 387462160 /nfs/dbraw/zinc/46/21/60/387462160.db2.gz XHAKJMUDVYGVLY-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000122011688 387459539 /nfs/dbraw/zinc/45/95/39/387459539.db2.gz PWBQYFWCGCVRKD-GHMZBOCLSA-N 0 0 241.306 2.324 10 0 BEAERN CCOC(=O)c1cc(N)c(C(F)(F)F)cc1O ZINC000575725061 387459508 /nfs/dbraw/zinc/45/95/08/387459508.db2.gz QOASVGNXYASJSD-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCOc1cc(C)cc(C(N)=O)c1CC ZINC000575697425 387390705 /nfs/dbraw/zinc/39/07/05/387390705.db2.gz VYEHGYQRCDGGSL-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN Cn1c(Cl)ncc1C(=O)C(F)(F)Cl ZINC000575509066 387392824 /nfs/dbraw/zinc/39/28/24/387392824.db2.gz UZBUYHJKQOJMHV-UHFFFAOYSA-N 0 0 229.013 2.088 10 0 BEAERN CCOc1cc(C)cc(CC)c1C(N)=O ZINC000575695185 387394798 /nfs/dbraw/zinc/39/47/98/387394798.db2.gz GXISBEIFQJEKHM-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN NC(=O)c1cc(F)cc(F)c1C(F)(F)F ZINC000575696583 387397224 /nfs/dbraw/zinc/39/72/24/387397224.db2.gz ZQIVTSLVQLZXHQ-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN CCc1c(C)c(C(N)=O)ccc1SC ZINC000575702993 387398897 /nfs/dbraw/zinc/39/88/97/387398897.db2.gz JKSOTYFOQBWHOU-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCc1ccc(C=O)c(C(F)(F)F)c1C(N)=O ZINC000575703704 387400881 /nfs/dbraw/zinc/40/08/81/387400881.db2.gz YQMHNAWZNPIGQV-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN OCc1cc(O)c(F)c(C(F)(F)F)c1 ZINC000575703190 387400964 /nfs/dbraw/zinc/40/09/64/387400964.db2.gz KQHSALOKCDMRNM-UHFFFAOYSA-N 0 0 210.126 2.042 10 0 BEAERN CCOC(=O)c1cc(O)cc(OC)c1Cl ZINC000575700455 387403155 /nfs/dbraw/zinc/40/31/55/387403155.db2.gz LEDZVGDYTLIERT-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CCOC(=O)Cc1cc(O)cc(F)c1Cl ZINC000575701350 387405085 /nfs/dbraw/zinc/40/50/85/387405085.db2.gz WKKJTIFJPPIEMC-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCc1cc(SC)c(C(N)=O)cc1F ZINC000575701842 387405311 /nfs/dbraw/zinc/40/53/11/387405311.db2.gz KDWAASMNMYSSPJ-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN CCc1cc(C(N)=O)cc(SC)c1OC ZINC000575704790 387408588 /nfs/dbraw/zinc/40/85/88/387408588.db2.gz YRVYIUBRXHLBPL-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN O=Cc1c(F)cc(OC(F)(F)F)cc1CO ZINC000575705840 387411226 /nfs/dbraw/zinc/41/12/26/387411226.db2.gz OQTOYANDIZLJJT-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1c(F)ccc(CO)c1C(F)(F)F ZINC000575707902 387411800 /nfs/dbraw/zinc/41/18/00/387411800.db2.gz JSEXOXBKDGCBKT-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN COc1c(OC(F)(F)F)ccc(F)c1CO ZINC000575708413 387411809 /nfs/dbraw/zinc/41/18/09/387411809.db2.gz OQFDFQYKXJKQFZ-UHFFFAOYSA-N 0 0 240.152 2.225 10 0 BEAERN COc1c(F)cc(SC)cc1C=O ZINC000575707916 387412398 /nfs/dbraw/zinc/41/23/98/387412398.db2.gz JYYSHMADNKXICL-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN Cc1ccc(F)c(C(N)=O)c1OC(F)(F)F ZINC000575709580 387413612 /nfs/dbraw/zinc/41/36/12/387413612.db2.gz LQPMMIZEIIWULK-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN Cc1ccc(OC(F)(F)F)c(F)c1C(N)=O ZINC000575710281 387415431 /nfs/dbraw/zinc/41/54/31/387415431.db2.gz SFBUPYJDAUTUTC-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COC(=O)Cc1c(C)cc(OC)cc1Cl ZINC000575712247 387417017 /nfs/dbraw/zinc/41/70/17/387417017.db2.gz CDXDJVALMKHIFE-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN COC(=O)Cc1cc(C)c(Cl)cc1O ZINC000575712598 387417332 /nfs/dbraw/zinc/41/73/32/387417332.db2.gz LZXXCFPNVWQFAD-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN O=C(c1ccccc1O)N1C[C@@H]2CCC[C@H]21 ZINC000336593464 387418134 /nfs/dbraw/zinc/41/81/34/387418134.db2.gz RXHDDYHXGJGVAL-GXSJLCMTSA-N 0 0 217.268 2.017 10 0 BEAERN O=C1CC[C@H]2[C@@H]1[C@H]2COc1ccccc1 ZINC000584599553 387501296 /nfs/dbraw/zinc/50/12/96/387501296.db2.gz AMFIBNPTPVHGTR-NTZNESFSSA-N 0 0 202.253 2.291 10 0 BEAERN COc1ccc2c(c1)[C@@]1(C)CC[C@@H](O2)C1=O ZINC000584623701 387502632 /nfs/dbraw/zinc/50/26/32/387502632.db2.gz KROLDXZDAYVFLN-DGCLKSJQSA-N 0 0 218.252 2.077 10 0 BEAERN Cc1nc2ccccc2n1C[C@@H](O)COC(C)C ZINC000005728733 387507441 /nfs/dbraw/zinc/50/74/41/387507441.db2.gz XTLLZXYZFUQTIU-GFCCVEGCSA-N 0 0 248.326 2.131 10 0 BEAERN CC(C)(C)OC(=O)n1c(Cl)ncc1C=O ZINC000211501615 387543900 /nfs/dbraw/zinc/54/39/00/387543900.db2.gz ZXZINLJLUZCHKK-UHFFFAOYSA-N 0 0 230.651 2.132 10 0 BEAERN CC1(C)CCCC[C@@H]1CC(=O)N1CC(CO)C1 ZINC000122419907 387529189 /nfs/dbraw/zinc/52/91/89/387529189.db2.gz OCVMYFVSLTXWBN-GFCCVEGCSA-N 0 0 239.359 2.044 10 0 BEAERN CCN(CC)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000355510721 387544562 /nfs/dbraw/zinc/54/45/62/387544562.db2.gz MHZJNAQHZNIAOG-ZSBIGDGJSA-N 0 0 242.363 2.241 10 0 BEAERN CC1CN(c2nc(Cl)c(C=O)s2)C1 ZINC000575528894 387540480 /nfs/dbraw/zinc/54/04/80/387540480.db2.gz RLTCELCHHPJELW-UHFFFAOYSA-N 0 0 216.693 2.065 10 0 BEAERN COc1c(N)c(C(F)(F)F)ccc1O ZINC000575727486 387463770 /nfs/dbraw/zinc/46/37/70/387463770.db2.gz GNYJMWVBPWOZBC-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CCC1CCC(NC(=O)COC(C)C)CC1 ZINC000122041168 387464173 /nfs/dbraw/zinc/46/41/73/387464173.db2.gz KMPCNKITFRYEHS-UHFFFAOYSA-N 0 0 227.348 2.496 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(N)c1Cl ZINC000575728157 387465084 /nfs/dbraw/zinc/46/50/84/387465084.db2.gz CDVWIIPGKYWAKK-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN COc1cc(CO)c(OC(F)(F)F)cc1C ZINC000575728606 387465116 /nfs/dbraw/zinc/46/51/16/387465116.db2.gz DXBCWVSPHSCWET-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(N)c(C)c(OC(F)(F)F)c1 ZINC000575728515 387465519 /nfs/dbraw/zinc/46/55/19/387465519.db2.gz CEPHNOKCWDLAKP-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(C)cc(N)c1OC(F)(F)F ZINC000575728580 387465909 /nfs/dbraw/zinc/46/59/09/387465909.db2.gz CXBOTOSCNSGNKF-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN Cc1csc(C(=O)NC[C@H](O)C(C)(C)C)c1 ZINC000324622108 387468817 /nfs/dbraw/zinc/46/88/17/387468817.db2.gz PXQWOYONMAQGGJ-JTQLQIEISA-N 0 0 241.356 2.193 10 0 BEAERN Cc1c(O)ccc(N)c1OC(F)(F)F ZINC000575729346 387468915 /nfs/dbraw/zinc/46/89/15/387468915.db2.gz YCTFMQDNLXTWCC-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1c(N)cc(OC(F)(F)F)cc1O ZINC000575729000 387469061 /nfs/dbraw/zinc/46/90/61/387469061.db2.gz TVRWRMIDCGAUQH-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1ccc(CO)c(OC(F)(F)F)c1C ZINC000575730131 387469732 /nfs/dbraw/zinc/46/97/32/387469732.db2.gz TWUHEJVBJHTKBZ-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C(C)(C)C1CCC1 ZINC000324641263 387490125 /nfs/dbraw/zinc/49/01/25/387490125.db2.gz XLNSGMUVUYLFRY-NSHDSACASA-N 0 0 241.375 2.336 10 0 BEAERN CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1 ZINC000042371296 387628539 /nfs/dbraw/zinc/62/85/39/387628539.db2.gz FIPIGLDNVMYCDC-GFCCVEGCSA-N 0 0 237.274 2.077 10 0 BEAERN C[C@H](c1cscn1)n1cc[nH]c1=S ZINC000575542724 387592841 /nfs/dbraw/zinc/59/28/41/387592841.db2.gz WNSHGCJAJNQEMC-ZCFIWIBFSA-N 0 0 211.315 2.238 10 0 BEAERN Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000122930180 387619053 /nfs/dbraw/zinc/61/90/53/387619053.db2.gz UBLLJFMVMICSFP-ZYHUDNBSSA-N 0 0 237.299 2.114 10 0 BEAERN Cc1cc(C)cc(C(=O)N2CC[C@@H](CCO)C2)c1 ZINC000122986744 387622062 /nfs/dbraw/zinc/62/20/62/387622062.db2.gz SZNWGPYPSOWTLD-ZDUSSCGKSA-N 0 0 247.338 2.148 10 0 BEAERN Cc1ccc(CNC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000122563745 387548772 /nfs/dbraw/zinc/54/87/72/387548772.db2.gz RIODTORLQDQBLF-WCQYABFASA-N 0 0 233.311 2.179 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117785165 387550052 /nfs/dbraw/zinc/55/00/52/387550052.db2.gz GPIJJQQRFMNMAJ-PLKZCJTGSA-N 0 0 231.295 2.076 10 0 BEAERN O=C(C(F)F)N1C[C@@H]2CCCCC[C@@H]21 ZINC000375733796 387576018 /nfs/dbraw/zinc/57/60/18/387576018.db2.gz CMLUDJMRRMAYDU-YUMQZZPRSA-N 0 0 203.232 2.043 10 0 BEAERN Cc1ccc(Br)c2c1C(=O)CO2 ZINC000575545047 387628036 /nfs/dbraw/zinc/62/80/36/387628036.db2.gz NJHKFRLZMZZLQI-UHFFFAOYSA-N 0 0 227.057 2.333 10 0 BEAERN CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000054960019 387637928 /nfs/dbraw/zinc/63/79/28/387637928.db2.gz VAKJNFIKRWCVNJ-WDEREUQCSA-N 0 0 221.300 2.207 10 0 BEAERN CS[C@H]1CC[C@H]1Nc1cc(N)ns1 ZINC000575548778 387645901 /nfs/dbraw/zinc/64/59/01/387645901.db2.gz GXCDMAQPFCCWHF-RITPCOANSA-N 0 0 215.347 2.031 10 0 BEAERN C[C@@H](NC(=O)Nc1nncs1)c1ccccc1 ZINC000043130617 387646588 /nfs/dbraw/zinc/64/65/88/387646588.db2.gz BLTBZHPNLBKVHV-MRVPVSSYSA-N 0 0 248.311 2.421 10 0 BEAERN O=C(c1ccc2ccccc2c1O)N1CCCO1 ZINC000125400542 387654827 /nfs/dbraw/zinc/65/48/27/387654827.db2.gz FZEOAAPKODPIGP-UHFFFAOYSA-N 0 0 243.262 2.323 10 0 BEAERN Cc1nnc(NC(=O)N[C@@H](C)C(C)C)s1 ZINC000043412560 387654947 /nfs/dbraw/zinc/65/49/47/387654947.db2.gz ORXVJCMDEYKZGT-LURJTMIESA-N 0 0 228.321 2.013 10 0 BEAERN CSCCCCNc1ccnc(N(C)C)n1 ZINC000125621067 387661389 /nfs/dbraw/zinc/66/13/89/387661389.db2.gz TXZNIDKPHWZHKT-UHFFFAOYSA-N 0 0 240.376 2.098 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000125702110 387663429 /nfs/dbraw/zinc/66/34/29/387663429.db2.gz SMFIAJWIAQHTON-WDEREUQCSA-N 0 0 227.348 2.354 10 0 BEAERN O=C(c1ccc(=O)[nH]c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000362841533 387664326 /nfs/dbraw/zinc/66/43/26/387664326.db2.gz VFBAHMVAAPBZDZ-RYUDHWBXSA-N 0 0 246.310 2.192 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123239305 387670565 /nfs/dbraw/zinc/67/05/65/387670565.db2.gz LNPIWXIZXHMBDO-LBPRGKRZSA-N 0 0 248.326 2.107 10 0 BEAERN C[C@@H]1C(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447713 387685270 /nfs/dbraw/zinc/68/52/70/387685270.db2.gz MNYIQAQSZOMQSX-RNCFNFMXSA-N 0 0 239.315 2.223 10 0 BEAERN C[C@@H](NC(=O)C1CCC1)[C@@H]1COc2ccccc21 ZINC000128281039 387743014 /nfs/dbraw/zinc/74/30/14/387743014.db2.gz QNJKFCUXJZCNIP-MFKMUULPSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@]1(c2nnc(C=O)s2)CCCS1 ZINC000575572597 387749319 /nfs/dbraw/zinc/74/93/19/387749319.db2.gz RSXGNBNACTXWBX-MRVPVSSYSA-N 0 0 214.315 2.093 10 0 BEAERN Cc1nc(CN(C)C[C@H]2CCCO2)cs1 ZINC000128553635 387751024 /nfs/dbraw/zinc/75/10/24/387751024.db2.gz UDLKADCQYRNDIQ-LLVKDONJSA-N 0 0 226.345 2.062 10 0 BEAERN CCCC(CCC)C(=O)NCC1(C)COC1 ZINC000123465270 387699056 /nfs/dbraw/zinc/69/90/56/387699056.db2.gz XFAMGPNACPVKGA-UHFFFAOYSA-N 0 0 227.348 2.356 10 0 BEAERN CCCC(CCC)C(=O)N1CC[C@H](CCO)C1 ZINC000127017329 387704103 /nfs/dbraw/zinc/70/41/03/387704103.db2.gz OMKRWMQYOPOAKV-GFCCVEGCSA-N 0 0 241.375 2.434 10 0 BEAERN CC[C@H](O)CCNC(=O)CCc1ccc(C)cc1 ZINC000127590351 387719708 /nfs/dbraw/zinc/71/97/08/387719708.db2.gz OUIZLBWIRFKITD-AWEZNQCLSA-N 0 0 249.354 2.205 10 0 BEAERN CS[C@H]1CC[C@@H]1Nc1ncc(N)s1 ZINC000575565108 387724855 /nfs/dbraw/zinc/72/48/55/387724855.db2.gz CQUBYDKRMQTGGJ-WDSKDSINSA-N 0 0 215.347 2.031 10 0 BEAERN CCCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127992387 387731137 /nfs/dbraw/zinc/73/11/37/387731137.db2.gz OEOPFJMALHJZSW-OCCSQVGLSA-N 0 0 239.359 2.330 10 0 BEAERN Cc1ccc([C@H](C)NCc2cn[nH]c2)o1 ZINC000038005508 387736525 /nfs/dbraw/zinc/73/65/25/387736525.db2.gz WNGQGNUGMWCONI-VIFPVBQESA-N 0 0 205.261 2.162 10 0 BEAERN C[C@@H](NC(=O)C1CC1)[C@H]1COc2ccccc21 ZINC000129104122 387763684 /nfs/dbraw/zinc/76/36/84/387763684.db2.gz RGYBBGOKJJVQJX-BXKDBHETSA-N 0 0 231.295 2.077 10 0 BEAERN C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@@H]1COc2ccccc21 ZINC000129115883 387763748 /nfs/dbraw/zinc/76/37/48/387763748.db2.gz NGWOROMTCUPWBD-URBCHYCLSA-N 0 0 245.322 2.323 10 0 BEAERN CSCC(=O)N1CCC[C@H]1c1ccncc1 ZINC000047435369 387774108 /nfs/dbraw/zinc/77/41/08/387774108.db2.gz RBMQOWRSRGAIGW-NSHDSACASA-N 0 0 236.340 2.108 10 0 BEAERN Cc1[nH]nc2ncc(C(=O)N[C@@H](C)C(C)C)cc12 ZINC000047477254 387774936 /nfs/dbraw/zinc/77/49/36/387774936.db2.gz RSEKDEVQMYRKTF-QMMMGPOBSA-N 0 0 246.314 2.041 10 0 BEAERN Cc1cc(C)cc(CCC(=O)N2CCCO2)c1 ZINC000134210328 177896351 /nfs/dbraw/zinc/89/63/51/177896351.db2.gz FDVHZYSKHWSYCY-UHFFFAOYSA-N 0 0 233.311 2.400 10 0 BEAERN Cc1ccc(C(=O)CCC(=O)N(C)C)cc1C ZINC000049822887 387787529 /nfs/dbraw/zinc/78/75/29/387787529.db2.gz IHSOZEDGCYOBDO-UHFFFAOYSA-N 0 0 233.311 2.355 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1ncncc1Cl ZINC000163605819 387798823 /nfs/dbraw/zinc/79/88/23/387798823.db2.gz HHUNSCSWKZKLSL-DTWKUNHWSA-N 0 0 227.695 2.109 10 0 BEAERN O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1CCCO ZINC000052759185 387809293 /nfs/dbraw/zinc/80/92/93/387809293.db2.gz JGTLRAPGJWNGPD-CHWSQXEVSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1oncc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000129075598 387761343 /nfs/dbraw/zinc/76/13/43/387761343.db2.gz IDBJADYBTGULMJ-CYBMUJFWSA-N 0 0 246.314 2.433 10 0 BEAERN CCOc1cc(CO)c(C#N)c(OC(F)F)c1 ZINC000575638025 387832172 /nfs/dbraw/zinc/83/21/72/387832172.db2.gz CTDJBIWWOXKELZ-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN Cc1ccc(CO)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575637588 387832388 /nfs/dbraw/zinc/83/23/88/387832388.db2.gz AGWHCQBWKHRRSP-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN N#CCc1cc(C#N)c(C=O)c(OC(F)F)c1 ZINC000575638657 387832856 /nfs/dbraw/zinc/83/28/56/387832856.db2.gz AANKACUGQMEGJM-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN COc1c(C#N)ccc(OC(F)F)c1C(C)=O ZINC000575638744 387833528 /nfs/dbraw/zinc/83/35/28/387833528.db2.gz AFFMOQWNMWBQAV-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1cc(C(F)(F)F)c(C)cc1N ZINC000575638883 387833796 /nfs/dbraw/zinc/83/37/96/387833796.db2.gz FMALCTNEEJAGLU-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN N#CCc1cc(C#N)cc(OC(F)F)c1C=O ZINC000575638926 387833877 /nfs/dbraw/zinc/83/38/77/387833877.db2.gz BCOGLYIGQKJNJD-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1c(CO)ccc(C#N)c1OC(F)F ZINC000575638978 387834138 /nfs/dbraw/zinc/83/41/38/387834138.db2.gz MDGSIIVLYNJHAY-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN Cc1cc(C(F)(F)F)c(CO)cc1[N+](=O)[O-] ZINC000575639216 387835892 /nfs/dbraw/zinc/83/58/92/387835892.db2.gz ZPHIEXDYMKIBKT-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COc1ccc(OC(F)F)c(C#N)c1F ZINC000575639600 387837196 /nfs/dbraw/zinc/83/71/96/387837196.db2.gz IWWDYGOIQZJKPC-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN Cc1c(N)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575638521 387837276 /nfs/dbraw/zinc/83/72/76/387837276.db2.gz UVADTWVRFAQGPI-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1c(C#N)ccc(C=O)c1OC(F)F ZINC000575640159 387838634 /nfs/dbraw/zinc/83/86/34/387838634.db2.gz VXXLDJUXDOQWRR-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)c1c(C)cc(N)cc1OC(F)(F)F ZINC000575640734 387839445 /nfs/dbraw/zinc/83/94/45/387839445.db2.gz OLDASPLALLHJJT-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1cc(N)c(OC(F)(F)F)cc1C ZINC000575640672 387839579 /nfs/dbraw/zinc/83/95/79/387839579.db2.gz NSNYTHVINIATJK-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCc1c(C#N)cc(C(N)=O)cc1C(F)F ZINC000575640740 387839989 /nfs/dbraw/zinc/83/99/89/387839989.db2.gz ISOGPVLXJKODED-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COc1cc(C)c(OC(F)F)c(C#N)c1 ZINC000575640511 387839997 /nfs/dbraw/zinc/83/99/97/387839997.db2.gz IXLDSXOUJNEBJK-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COc1cc(OC(F)F)c(C(C)=O)cc1C#N ZINC000575640968 387840939 /nfs/dbraw/zinc/84/09/39/387840939.db2.gz RECKRKKSUFDVQJ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCc1c(CO)cc(C#N)cc1OC(F)F ZINC000575641127 387841419 /nfs/dbraw/zinc/84/14/19/387841419.db2.gz VFCHLQSXSSYSIO-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COC(=O)c1ccc(N)c(C)c1C(F)(F)F ZINC000575639811 387841511 /nfs/dbraw/zinc/84/15/11/387841511.db2.gz KQLWTULJKQGMNZ-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN N#Cc1cc(F)c(OC(F)F)cc1C=O ZINC000575639885 387842437 /nfs/dbraw/zinc/84/24/37/387842437.db2.gz KMNINGQBFBILIB-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCOc1cc(C=O)c(C#N)c(CC)c1 ZINC000575642397 387842814 /nfs/dbraw/zinc/84/28/14/387842814.db2.gz AUZRBKQQQFFXEP-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1c(C)c(C#N)ccc1OC(F)F ZINC000575641693 387843125 /nfs/dbraw/zinc/84/31/25/387843125.db2.gz SMRSBIIIOXRZSZ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COC(=O)c1cc(OC)cc(N)c1C(F)(F)F ZINC000575641875 387843740 /nfs/dbraw/zinc/84/37/40/387843740.db2.gz YQJQRGCTXRRNCW-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COC(=O)c1c(C)ccc(C(F)(F)F)c1N ZINC000575641892 387843965 /nfs/dbraw/zinc/84/39/65/387843965.db2.gz YWWJRHCKGMUFFP-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COc1cc(C#N)c(C)cc1OC(F)F ZINC000575641800 387844620 /nfs/dbraw/zinc/84/46/20/387844620.db2.gz VCQWVJHOEMUGGP-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN N#Cc1cc(CO)cc(C(F)F)c1F ZINC000575642585 387844854 /nfs/dbraw/zinc/84/48/54/387844854.db2.gz DSYHNKVVUYCVAI-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN COc1c(C#N)c(C)ccc1OC(F)F ZINC000575642064 387845674 /nfs/dbraw/zinc/84/56/74/387845674.db2.gz VNXXMTNRQRUVTI-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COc1cc(CO)c(C#N)cc1C(F)(F)F ZINC000575645127 387874388 /nfs/dbraw/zinc/87/43/88/387874388.db2.gz AKLSDMFAFVZIBQ-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN N#Cc1cc(CO)c(F)c(C(F)F)c1 ZINC000575643351 387863900 /nfs/dbraw/zinc/86/39/00/387863900.db2.gz OWZYFEAIALFEFJ-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCOc1cc(CO)cc(C#N)c1CC ZINC000575642884 387865950 /nfs/dbraw/zinc/86/59/50/387865950.db2.gz KJZUVFWWGNGRPV-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1cc(CC)c(C#N)cc1CO ZINC000575644158 387869215 /nfs/dbraw/zinc/86/92/15/387869215.db2.gz VJSDRVHLPKYHIP-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN COc1ccc2nn(C)cc2c1Br ZINC000575624059 387816143 /nfs/dbraw/zinc/81/61/43/387816143.db2.gz MFRLEECRJCALIB-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN N#Cc1cc(F)cc(CO)c1OC(F)(F)F ZINC000575650367 387890925 /nfs/dbraw/zinc/89/09/25/387890925.db2.gz YOQZMLBUTRYEKY-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCOc1cc(C)c(C(C)=O)c(C#N)c1 ZINC000575648078 387890981 /nfs/dbraw/zinc/89/09/81/387890981.db2.gz NPTBDPHKKIOIGC-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCc1c(C#N)cc([N+](=O)[O-])cc1C(C)=O ZINC000575650407 387891089 /nfs/dbraw/zinc/89/10/89/387891089.db2.gz YPKGNXZKQVFBPO-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN COc1cc(C#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575650806 387891415 /nfs/dbraw/zinc/89/14/15/387891415.db2.gz SXEKCHTYTDFHHD-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN COc1cc(C#N)c(C=O)cc1OC(F)(F)F ZINC000575650783 387892109 /nfs/dbraw/zinc/89/21/09/387892109.db2.gz VKYNCEJMIHEXDI-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN N#Cc1cc(C=O)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575650937 387892697 /nfs/dbraw/zinc/89/26/97/387892697.db2.gz VUMSSTDZYKMADC-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN OCc1cc(OC(F)F)c(O)cc1C(F)F ZINC000575652900 387892958 /nfs/dbraw/zinc/89/29/58/387892958.db2.gz XNNMBJPKBDIODP-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Cc1cc(C(N)=O)c(C)cc1OC(F)F ZINC000575652876 387893441 /nfs/dbraw/zinc/89/34/41/387893441.db2.gz MOSODROFNFIYBR-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN CCc1cc(C=O)cc(O)c1OC(F)F ZINC000575653322 387894383 /nfs/dbraw/zinc/89/43/83/387894383.db2.gz FKEBKAIHILFQGN-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(F)c(OC(F)F)c(CO)c1 ZINC000575653764 387896160 /nfs/dbraw/zinc/89/61/60/387896160.db2.gz NLJBSFIATWIEPR-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(O)c(OC(F)F)c(C=O)c1 ZINC000575653474 387896676 /nfs/dbraw/zinc/89/66/76/387896676.db2.gz IPGAIOGQDVJTSL-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(O)c(C=O)cc1OC(F)F ZINC000575654281 387897682 /nfs/dbraw/zinc/89/76/82/387897682.db2.gz YAFXNDBLWIJONJ-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1c(CO)ccc(OC(F)F)c1F ZINC000575654155 387897698 /nfs/dbraw/zinc/89/76/98/387897698.db2.gz WAYNRRXWZCWJDM-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCOc1cc(CC)cc(C#N)c1CO ZINC000575644581 387876365 /nfs/dbraw/zinc/87/63/65/387876365.db2.gz YRVAXTYHGRUURE-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN N#CCc1cc(C=O)c(C(F)(F)F)cc1C#N ZINC000575644583 387876494 /nfs/dbraw/zinc/87/64/94/387876494.db2.gz ANVZVSCSDVGTKS-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCc1cc(C(C)=O)c(C#N)cc1OC ZINC000575644779 387876556 /nfs/dbraw/zinc/87/65/56/387876556.db2.gz JFZGWWWGDSSZHX-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1cc(CO)c(C#N)c(C(F)(F)F)c1 ZINC000575645905 387876584 /nfs/dbraw/zinc/87/65/84/387876584.db2.gz FDTYXRLVUGGLAW-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN COc1c(C#N)c(C=O)ccc1C(F)(F)F ZINC000575645910 387876690 /nfs/dbraw/zinc/87/66/90/387876690.db2.gz FEIOVORUUIOWSH-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1cc(C(F)(F)F)c(CO)cc1F ZINC000575645110 387879126 /nfs/dbraw/zinc/87/91/26/387879126.db2.gz DXKVOSVWRMLJFC-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1cc(C#N)c(C=O)c(C(C)=O)c1 ZINC000575646444 387880627 /nfs/dbraw/zinc/88/06/27/387880627.db2.gz NSRDAUTUOVWOFD-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCc1c(C#N)cc(C(N)=O)cc1C(F)(F)F ZINC000575646722 387881818 /nfs/dbraw/zinc/88/18/18/387881818.db2.gz GVXLUBUBHADLGI-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCOc1ccc(F)c(OCC)c1C#N ZINC000575648532 387883763 /nfs/dbraw/zinc/88/37/63/387883763.db2.gz FWKZLGSCUHWFOB-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN Cc1cc(C)c(N2CC[C@@H](CO)C2)c(C)c1 ZINC000011892831 177864422 /nfs/dbraw/zinc/86/44/22/177864422.db2.gz XHDWBRXWMKKWJA-CYBMUJFWSA-N 0 0 219.328 2.430 10 0 BEAERN Cc1cc(C)c(Cn2cc(N)cn2)c(C)c1 ZINC000053300004 177864500 /nfs/dbraw/zinc/86/45/00/177864500.db2.gz FJBSFRYBYZAFDA-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN CCc1cc(C(C)=O)c(C=O)cc1C#N ZINC000575648704 387885000 /nfs/dbraw/zinc/88/50/00/387885000.db2.gz YTPJVTFSGSVJEG-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN COc1c(C#N)cc(C(F)(F)F)cc1CO ZINC000575650964 387885108 /nfs/dbraw/zinc/88/51/08/387885108.db2.gz XVFRNBZIINRXAL-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1c(C(C)=O)ccc(C#N)c1OC ZINC000575648671 387885845 /nfs/dbraw/zinc/88/58/45/387885845.db2.gz WYKXJXPRBILBPZ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)c(C(C)=O)c(OC)c1 ZINC000575651024 387885851 /nfs/dbraw/zinc/88/58/51/387885851.db2.gz ZAHJNFGNFMPDHJ-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN COc1cc([N+](=O)[O-])c(C#N)cc1C(F)(F)F ZINC000575649248 387887136 /nfs/dbraw/zinc/88/71/36/387887136.db2.gz LYJRELGPEPBMTI-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN CCOc1cc(OCC)c(C#N)cc1F ZINC000575651328 387887913 /nfs/dbraw/zinc/88/79/13/387887913.db2.gz UWYLEHVCFRFFTR-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN COc1cc(C#N)c(OC(F)(F)F)cc1C=O ZINC000575649651 387888029 /nfs/dbraw/zinc/88/80/29/387888029.db2.gz RAYFEUZDZJRVCY-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN c1cc(C2CCN(Cc3cscn3)CC2)n[nH]1 ZINC000195505709 387918311 /nfs/dbraw/zinc/91/83/11/387918311.db2.gz BVQYUPKXZMIXNB-UHFFFAOYSA-N 0 0 248.355 2.246 10 0 BEAERN CC(C)n1nnnc1CNc1ccccc1F ZINC000194981972 387901390 /nfs/dbraw/zinc/90/13/90/387901390.db2.gz OIGYQILMXVNDSX-UHFFFAOYSA-N 0 0 235.266 2.005 10 0 BEAERN COCCN1CCCC[C@@H]1c1nccs1 ZINC000195360907 387911805 /nfs/dbraw/zinc/91/18/05/387911805.db2.gz PMLRUSLEWPEAMQ-SNVBAGLBSA-N 0 0 226.345 2.317 10 0 BEAERN CO[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000055005812 387914922 /nfs/dbraw/zinc/91/49/22/387914922.db2.gz DZXVBTGOUNEKGH-SFYZADRCSA-N 0 0 243.253 2.177 10 0 BEAERN O=C(C[C@H]1CC1(Cl)Cl)NC1CCC1 ZINC000306365728 387916321 /nfs/dbraw/zinc/91/63/21/387916321.db2.gz FHPSIMOIAGZZHF-LURJTMIESA-N 0 0 222.115 2.239 10 0 BEAERN Cc1cc(C)c(C(=O)NC(C)(C)CO)c(C)c1 ZINC000035608698 177844495 /nfs/dbraw/zinc/84/44/95/177844495.db2.gz FCIMEVZMQWFVAP-UHFFFAOYSA-N 0 0 235.327 2.113 10 0 BEAERN Cc1cnc([C@H](C)NCc2cn(C(C)C)nn2)o1 ZINC000336789612 387938586 /nfs/dbraw/zinc/93/85/86/387938586.db2.gz UCIBKFBLCOLBMY-JTQLQIEISA-N 0 0 249.318 2.006 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CC23CCCCC3)O1 ZINC000245633789 387967358 /nfs/dbraw/zinc/96/73/58/387967358.db2.gz WFPJTYNPMLDZJP-UTUOFQBUSA-N 0 0 237.343 2.393 10 0 BEAERN CC[C@@H]1C[C@@H](C(=O)N[C@H](C)C(C)C)CCO1 ZINC000245692044 387973367 /nfs/dbraw/zinc/97/33/67/387973367.db2.gz KKRXNQLHHDQMIX-GRYCIOLGSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1ccc2ncc3c(c2c1)OCCOC3=O ZINC000053994753 387976810 /nfs/dbraw/zinc/97/68/10/387976810.db2.gz QLNQPMGJMTVUTB-UHFFFAOYSA-N 0 0 229.235 2.092 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCCC[C@H]3C2)O1 ZINC000246068844 388005736 /nfs/dbraw/zinc/00/57/36/388005736.db2.gz RYUXJFFXVAFKGU-MROQNXINSA-N 0 0 237.343 2.203 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246139086 388013957 /nfs/dbraw/zinc/01/39/57/388013957.db2.gz CXHUUUAWYFAHEJ-KXNHARMFSA-N 0 0 227.348 2.210 10 0 BEAERN CC[C@H](NC(=O)CCSC)C(C)C ZINC000336657991 388072888 /nfs/dbraw/zinc/07/28/88/388072888.db2.gz ROLDZRBBGAZKFL-VIFPVBQESA-N 0 0 203.351 2.290 10 0 BEAERN CCc1nnc(CN(C)[C@H](C)c2ccco2)n1C ZINC000195117837 388096785 /nfs/dbraw/zinc/09/67/85/388096785.db2.gz CQQZXLUETFYKBY-SNVBAGLBSA-N 0 0 248.330 2.164 10 0 BEAERN COC[C@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195152982 388098055 /nfs/dbraw/zinc/09/80/55/388098055.db2.gz UMOJUBXWUXXRIO-NSHDSACASA-N 0 0 227.348 2.306 10 0 BEAERN COC[C@@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195152993 388098177 /nfs/dbraw/zinc/09/81/77/388098177.db2.gz UMOJUBXWUXXRIO-LLVKDONJSA-N 0 0 227.348 2.306 10 0 BEAERN CC(C)[C@H](C)NC(=O)Cc1ccsc1 ZINC000057159991 388112002 /nfs/dbraw/zinc/11/20/02/388112002.db2.gz LUAPHZCEOHWPKD-VIFPVBQESA-N 0 0 211.330 2.451 10 0 BEAERN CC[C@@](O)(c1cccs1)[C@H]1CCOC1 ZINC000306667682 388112590 /nfs/dbraw/zinc/11/25/90/388112590.db2.gz JQOQYJJTBKQDTO-ONGXEEELSA-N 0 0 212.314 2.382 10 0 BEAERN CC(C)(C(=O)N1CC[C@@H](CCO)C1)C1CCC1 ZINC000322190852 388168627 /nfs/dbraw/zinc/16/86/27/388168627.db2.gz JKWDRVDTNHDNJT-NSHDSACASA-N 0 0 239.359 2.044 10 0 BEAERN CCOC(=O)[C@H]1CC(=O)c2cccc(C)c2C1 ZINC000521399788 256515547 /nfs/dbraw/zinc/51/55/47/256515547.db2.gz QQNVKPTUIKKOED-SNVBAGLBSA-N 0 0 232.279 2.303 10 0 BEAERN CN=[S@](C)(=O)c1ccc(Cl)cc1 ZINC000521399311 256516113 /nfs/dbraw/zinc/51/61/13/256516113.db2.gz DWQIFZYZWXPIJZ-GFCCVEGCSA-N 0 0 203.694 2.427 10 0 BEAERN CN=[S@@](C)(=O)c1cccc2cccnc21 ZINC000521399462 256516165 /nfs/dbraw/zinc/51/61/65/256516165.db2.gz QJOQNISDSZAIBG-HNNXBMFYSA-N 0 0 220.297 2.321 10 0 BEAERN CC(C)Nc1cnnc(Br)c1 ZINC000521400798 256516822 /nfs/dbraw/zinc/51/68/22/256516822.db2.gz PLIYQOUMOXTFQC-UHFFFAOYSA-N 0 0 216.082 2.059 10 0 BEAERN C[C@@H](CC(=O)[O-])C[C@@H]([NH3+])C1CCCCC1 ZINC000521401448 256517028 /nfs/dbraw/zinc/51/70/28/256517028.db2.gz HQBYJHOLQQFRCL-MWLCHTKSSA-N 0 0 213.321 2.395 10 0 BEAERN Cc1ccc(-c2cnc(=O)[nH]c2)cc1Cl ZINC000065344671 388259054 /nfs/dbraw/zinc/25/90/54/388259054.db2.gz JWXKDIHAIBWIBU-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN Cc1cc(Cl)ccc1-c1cnc(=O)[nH]c1 ZINC000065344677 388259095 /nfs/dbraw/zinc/25/90/95/388259095.db2.gz XFAKAVORGFLKDZ-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000185545239 256611035 /nfs/dbraw/zinc/61/10/35/256611035.db2.gz MJHBUSTUJYLPNF-ZJQBRPOHSA-N 0 0 239.359 2.352 10 0 BEAERN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000057354191 388357202 /nfs/dbraw/zinc/35/72/02/388357202.db2.gz GPWBUSYJURGRIM-CYBMUJFWSA-N 0 0 233.311 2.373 10 0 BEAERN NCc1nnc(-c2ccccc2Cl)s1 ZINC000057517188 388361949 /nfs/dbraw/zinc/36/19/49/388361949.db2.gz ZTINZVVBTOXPIH-UHFFFAOYSA-N 0 0 225.704 2.317 10 0 BEAERN COc1cc(Cl)nc(C(C)(C)C)n1 ZINC000058047723 388373026 /nfs/dbraw/zinc/37/30/26/388373026.db2.gz QTJWOGVRNDEUSQ-UHFFFAOYSA-N 0 0 200.669 2.436 10 0 BEAERN C[C@@H]1CN(C(=O)N(C)C)c2ccc(F)cc2O1 ZINC000174013345 388378942 /nfs/dbraw/zinc/37/89/42/388378942.db2.gz AREGEBJZPJUFIR-MRVPVSSYSA-N 0 0 238.262 2.095 10 0 BEAERN CCc1nc(Cc2c[nH]cn2)c(CC)o1 ZINC000013802715 388406194 /nfs/dbraw/zinc/40/61/94/388406194.db2.gz YAVCJVYNJMYDTC-UHFFFAOYSA-N 0 0 205.261 2.113 10 0 BEAERN COC[C@@H]1CCN1C/C(Cl)=C/Cl ZINC000293574467 388390701 /nfs/dbraw/zinc/39/07/01/388390701.db2.gz NEGHWMYESZHJDC-NZGHECTNSA-N 0 0 210.104 2.026 10 0 BEAERN Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)[O-])s1 ZINC000237792258 388398562 /nfs/dbraw/zinc/39/85/62/388398562.db2.gz GKWPRBFEOHNVSE-SECBINFHSA-N 0 0 225.313 2.278 10 0 BEAERN C[C@H](C(=O)Nc1ccc(=O)[nH]c1)C(C)(F)F ZINC000294507679 388401619 /nfs/dbraw/zinc/40/16/19/388401619.db2.gz BNUMTCOCPWHEKF-ZCFIWIBFSA-N 0 0 230.214 2.017 10 0 BEAERN COC(=O)c1cc(Cl)nc(Cl)c1C ZINC000071864402 388447217 /nfs/dbraw/zinc/44/72/17/388447217.db2.gz ZXKKQCNCVITOAK-UHFFFAOYSA-N 0 0 220.055 2.483 10 0 BEAERN C[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195116902 388460401 /nfs/dbraw/zinc/46/04/01/388460401.db2.gz WOVUCZIXDAOMJS-LLVKDONJSA-N 0 0 248.374 2.315 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc(C2CC2)ns1 ZINC000134572856 388477458 /nfs/dbraw/zinc/47/74/58/388477458.db2.gz UIEBGICSWMWFDM-HTRCEHHLSA-N 0 0 225.317 2.005 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1cccnc1Cl ZINC000295120594 388408610 /nfs/dbraw/zinc/40/86/10/388408610.db2.gz XHFOKOBEESMPQS-GXSJLCMTSA-N 0 0 240.734 2.080 10 0 BEAERN CN(Cc1ccccc1)c1ncnc(Cl)c1N ZINC000040571611 388422016 /nfs/dbraw/zinc/42/20/16/388422016.db2.gz JDRMTSCLDKAYNU-UHFFFAOYSA-N 0 0 248.717 2.349 10 0 BEAERN CC(C)OC(=O)N1CCS[C@H](C)CC1 ZINC000307365363 388422906 /nfs/dbraw/zinc/42/29/06/388422906.db2.gz LUOMAGNOUCVVBG-SECBINFHSA-N 0 0 217.334 2.359 10 0 BEAERN Cc1ccc(O[C@H](C)C(N)=S)cc1C ZINC000041218976 388433396 /nfs/dbraw/zinc/43/33/96/388433396.db2.gz VUOYNKNQRZCVDK-SECBINFHSA-N 0 0 209.314 2.357 10 0 BEAERN Cc1csc([C@H](C)NC(=O)N[C@H]2C[C@H]2C)n1 ZINC000246166348 388439152 /nfs/dbraw/zinc/43/91/52/388439152.db2.gz BPMOBSWXXIGHRR-YEPSODPASA-N 0 0 239.344 2.220 10 0 BEAERN COC(=O)c1[nH]c2ccc(F)cc2c1C ZINC000066054913 388547340 /nfs/dbraw/zinc/54/73/40/388547340.db2.gz NAGQLHJULMRBGH-UHFFFAOYSA-N 0 0 207.204 2.402 10 0 BEAERN CCC[C@H](NC1(C(C)C)CC1)C(=O)OCC ZINC000339503687 388484181 /nfs/dbraw/zinc/48/41/81/388484181.db2.gz DZCJZNUQJCULKR-NSHDSACASA-N 0 0 227.348 2.496 10 0 BEAERN C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000135242923 388487342 /nfs/dbraw/zinc/48/73/42/388487342.db2.gz XDSMWFVRBHWZIZ-GMTAPVOTSA-N 0 0 247.342 2.229 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(CC2CCCC2)no1 ZINC000340887429 388492601 /nfs/dbraw/zinc/49/26/01/388492601.db2.gz SDZJNQWKNHIFAL-NSHDSACASA-N 0 0 238.331 2.362 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)CC(C)(C)C ZINC000345192519 388510733 /nfs/dbraw/zinc/51/07/33/388510733.db2.gz DLTHSVIKCYBWBI-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1nc(C2CC2)ncc1Br ZINC000082326418 388586898 /nfs/dbraw/zinc/58/68/98/388586898.db2.gz IKWKEICYVKOUNC-UHFFFAOYSA-N 0 0 213.078 2.425 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000186069421 388598140 /nfs/dbraw/zinc/59/81/40/388598140.db2.gz NCXDWRDFXNQXCF-GHMZBOCLSA-N 0 0 242.363 2.288 10 0 BEAERN Cc1cc(C(N)=S)ccc1NC(C)C ZINC000037733487 388610565 /nfs/dbraw/zinc/61/05/65/388610565.db2.gz FOSSWUISCZKEAP-UHFFFAOYSA-N 0 0 208.330 2.450 10 0 BEAERN CC(C)(C)[C@@H](O)Cn1ccnc1C1CC1 ZINC000530130084 388614438 /nfs/dbraw/zinc/61/44/38/388614438.db2.gz NPRRHUBKMBXMQF-JTQLQIEISA-N 0 0 208.305 2.168 10 0 BEAERN CCO[C@H](CCNC(=O)N[C@H]1C[C@@H]1C)C(C)C ZINC000080726727 388560173 /nfs/dbraw/zinc/56/01/73/388560173.db2.gz VSDYLUFNHVJYML-SDDRHHMPSA-N 0 0 242.363 2.145 10 0 BEAERN CC/C=C/CC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000184390324 388576506 /nfs/dbraw/zinc/57/65/06/388576506.db2.gz MIWHNHPIEKUEKU-ITKZLYELSA-N 0 0 225.332 2.370 10 0 BEAERN CCn1ccnc1C[S@@](=O)Cc1ccccc1 ZINC000081525810 388580127 /nfs/dbraw/zinc/58/01/27/388580127.db2.gz OXETVZFJKOEROR-QGZVFWFLSA-N 0 0 248.351 2.352 10 0 BEAERN C[C@H]1CN(C)C(=O)N([C@H]2C=CCCC2)C1 ZINC000222194596 388584199 /nfs/dbraw/zinc/58/41/99/388584199.db2.gz QYAAMAJOFNKYLZ-QWRGUYRKSA-N 0 0 208.305 2.099 10 0 BEAERN CC(C)n1ncc(C=O)c1Br ZINC000220247373 388584222 /nfs/dbraw/zinc/58/42/22/388584222.db2.gz IDKSRMLKYDZCEL-UHFFFAOYSA-N 0 0 217.066 2.039 10 0 BEAERN CC(=O)c1cccc2nc(C)c(F)nc21 ZINC000222203867 388584242 /nfs/dbraw/zinc/58/42/42/388584242.db2.gz AIDNAPJVVZFNQX-UHFFFAOYSA-N 0 0 204.204 2.280 10 0 BEAERN CCOC(=O)c1cc2cccc(N)c2o1 ZINC000218747837 388584279 /nfs/dbraw/zinc/58/42/79/388584279.db2.gz DJWBTFZKUSGSDP-UHFFFAOYSA-N 0 0 205.213 2.192 10 0 BEAERN COC[C@@H](C)C(=O)NCC(C(C)C)C(C)C ZINC000192612043 388679973 /nfs/dbraw/zinc/67/99/73/388679973.db2.gz OIPCHCKMXYIANF-LLVKDONJSA-N 0 0 229.364 2.313 10 0 BEAERN COCCCN(C)C(=O)NCCC1=CCCC1 ZINC000125928870 388682171 /nfs/dbraw/zinc/68/21/71/388682171.db2.gz QHGWHUWYRJPKFQ-UHFFFAOYSA-N 0 0 240.347 2.165 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000246146051 388620231 /nfs/dbraw/zinc/62/02/31/388620231.db2.gz OPBKYJBMIJTDQL-WHOHXGKFSA-N 0 0 227.348 2.210 10 0 BEAERN CCOC(=O)Cc1c(F)cccc1C(C)=O ZINC000575441890 388632908 /nfs/dbraw/zinc/63/29/08/388632908.db2.gz FDTPHOPTXKIFHK-UHFFFAOYSA-N 0 0 224.231 2.134 10 0 BEAERN CC[C@H](NC(=O)NCCCF)c1nccs1 ZINC000124037003 388659651 /nfs/dbraw/zinc/65/96/51/388659651.db2.gz PKACOBVCBAZCBX-QMMMGPOBSA-N 0 0 245.323 2.253 10 0 BEAERN CN(CC1CC1)C(=O)N[C@H]1COc2ccccc21 ZINC000194684811 388739990 /nfs/dbraw/zinc/73/99/90/388739990.db2.gz NDZBXZVTGNNVEN-LBPRGKRZSA-N 0 0 246.310 2.172 10 0 BEAERN Clc1nsc(-c2ccns2)n1 ZINC000575451890 388746078 /nfs/dbraw/zinc/74/60/78/388746078.db2.gz SRAKXIOVNWFCST-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN Cc1cc(C(=O)c2ccsn2)sn1 ZINC000575452174 388746408 /nfs/dbraw/zinc/74/64/08/388746408.db2.gz JFJJBCIBQHTCTC-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN Fc1nc(C2CSC2)ncc1Br ZINC000575452225 388748080 /nfs/dbraw/zinc/74/80/80/388748080.db2.gz MGHXAWZWVGGCSC-UHFFFAOYSA-N 0 0 249.108 2.209 10 0 BEAERN C[C@H]1C[C@@H](C(=O)NCCCCO)CC(C)(C)C1 ZINC000194978372 388748259 /nfs/dbraw/zinc/74/82/59/388748259.db2.gz MYGAQZVIQJHZIF-NWDGAFQWSA-N 0 0 241.375 2.338 10 0 BEAERN CCC[C@H](C)NC(=O)c1cccc(OC)c1O ZINC000019838068 388749201 /nfs/dbraw/zinc/74/92/01/388749201.db2.gz NJHRZWCIFHEZJP-VIFPVBQESA-N 0 0 237.299 2.319 10 0 BEAERN CC[C@@H](NC(=O)N(C)C1CCC1)[C@H]1CCCO1 ZINC000128367554 388750917 /nfs/dbraw/zinc/75/09/17/388750917.db2.gz GRKSMCXGIJHOGW-VXGBXAGGSA-N 0 0 240.347 2.138 10 0 BEAERN Cc1cc(Br)cc2c(=O)[nH][nH]c21 ZINC000075883938 177722710 /nfs/dbraw/zinc/72/27/10/177722710.db2.gz VRDCFLJTDDFLAJ-UHFFFAOYSA-N 0 0 227.061 2.339 10 0 BEAERN CSCCCC(=O)NCc1ccc(O)cc1 ZINC000126423235 388695981 /nfs/dbraw/zinc/69/59/81/388695981.db2.gz SWYDCLZTORCRHG-UHFFFAOYSA-N 0 0 239.340 2.152 10 0 BEAERN C[C@H]1CCC[C@H]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248902469 388698137 /nfs/dbraw/zinc/69/81/37/388698137.db2.gz ALLIGYSEPHDFSZ-LOWDOPEQSA-N 0 0 239.359 2.449 10 0 BEAERN COc1cccc([C@@]2(O)CSC[C@H]2C)c1 ZINC000389697269 388702215 /nfs/dbraw/zinc/70/22/15/388702215.db2.gz JAXBXOPOYPKEPJ-BXKDBHETSA-N 0 0 224.325 2.266 10 0 BEAERN O=C1N[C@@H](c2ccc(F)cc2)C12CCC2 ZINC000379826043 388702853 /nfs/dbraw/zinc/70/28/53/388702853.db2.gz WPYGJQDCSCPVMA-JTQLQIEISA-N 0 0 205.232 2.167 10 0 BEAERN O=C1N[C@H](c2ccc(F)cc2)C12CCC2 ZINC000379826044 388702914 /nfs/dbraw/zinc/70/29/14/388702914.db2.gz WPYGJQDCSCPVMA-SNVBAGLBSA-N 0 0 205.232 2.167 10 0 BEAERN CCOC(=O)C(C)=NNc1ccccc1 ZINC000254378923 388717030 /nfs/dbraw/zinc/71/70/30/388717030.db2.gz NRHLGLQBPHEKMF-UHFFFAOYSA-N 0 0 206.245 2.038 10 0 BEAERN CCOC(=O)c1cc(OC)c(F)cc1F ZINC000260058348 388724851 /nfs/dbraw/zinc/72/48/51/388724851.db2.gz IPERKERYXJMSCJ-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN Cn1ncc(N)c1-c1sccc1Cl ZINC000575449879 388732578 /nfs/dbraw/zinc/73/25/78/388732578.db2.gz UKXNNQXGJCFPGC-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ncccc1C(F)(F)F ZINC000092395027 388803119 /nfs/dbraw/zinc/80/31/19/388803119.db2.gz MQUVVRMKIOOHFK-XPUUQOCRSA-N 0 0 244.216 2.239 10 0 BEAERN CC(C)c1ocnc1-c1nc([C@@H]2CCOC2)no1 ZINC000096164838 388811159 /nfs/dbraw/zinc/81/11/59/388811159.db2.gz KILRVLUSBJXFRQ-MRVPVSSYSA-N 0 0 249.270 2.352 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2nnc(C)s2)C1 ZINC000227759864 388758602 /nfs/dbraw/zinc/75/86/02/388758602.db2.gz CEIAOPMYDJZFKQ-DTWKUNHWSA-N 0 0 227.333 2.216 10 0 BEAERN CC(C)[C@H](C)NC(=O)NCC1(O)CCCCC1 ZINC000303398493 388812480 /nfs/dbraw/zinc/81/24/80/388812480.db2.gz JNHWADQOFLUCDO-NSHDSACASA-N 0 0 242.363 2.025 10 0 BEAERN Nc1noc(-c2ccsn2)c1Cl ZINC000575456598 388787033 /nfs/dbraw/zinc/78/70/33/388787033.db2.gz JQSIPUWPUUUOIX-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN O=C(Cc1cccc(O)c1)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000649122763 388840565 /nfs/dbraw/zinc/84/05/65/388840565.db2.gz DRXILVRZJGJZKB-IACUBPJLSA-N 0 0 245.322 2.240 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1O ZINC000231694921 388840778 /nfs/dbraw/zinc/84/07/78/388840778.db2.gz SKXWCQOPFHIKRZ-KOLCDFICSA-N 0 0 219.284 2.311 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1cc(OC)ccc1O ZINC000231694702 388841693 /nfs/dbraw/zinc/84/16/93/388841693.db2.gz LVDURQAMJKZUIH-BXKDBHETSA-N 0 0 249.310 2.319 10 0 BEAERN CC(C)(C)Sc1ncnc(F)c1N ZINC000575496481 388973796 /nfs/dbraw/zinc/97/37/96/388973796.db2.gz LWZQWNQQVJUVSC-UHFFFAOYSA-N 0 0 201.270 2.089 10 0 BEAERN Cc1ccc(CC(=O)NC[C@H](O)C(C)(C)C)cc1 ZINC000268711542 389003509 /nfs/dbraw/zinc/00/35/09/389003509.db2.gz MDMLJBKZWYBLEU-ZDUSSCGKSA-N 0 0 249.354 2.061 10 0 BEAERN Cc1c[nH]c(C)c1Cn1nnc2ccccc21 ZINC000005378556 177641592 /nfs/dbraw/zinc/64/15/92/177641592.db2.gz IMHQKHDRLGAMMM-UHFFFAOYSA-N 0 0 226.283 2.425 10 0 BEAERN O=C1CO[C@@H](c2ccc(Cl)s2)C1 ZINC000575502610 388990189 /nfs/dbraw/zinc/99/01/89/388990189.db2.gz SIQVWXKOKGNLDU-ZCFIWIBFSA-N 0 0 202.662 2.432 10 0 BEAERN N[C@@H](c1occc1Br)C1=COCC1 ZINC000575506286 388991306 /nfs/dbraw/zinc/99/13/06/388991306.db2.gz DWQCHEMLRATIRD-MRVPVSSYSA-N 0 0 244.088 2.346 10 0 BEAERN Cc1c(N)noc1-c1occc1Br ZINC000575509612 389003074 /nfs/dbraw/zinc/00/30/74/389003074.db2.gz XJIVIVSYNAGILY-UHFFFAOYSA-N 0 0 243.060 2.418 10 0 BEAERN Cc1cscc1C(=O)NC[C@@H](O)C(C)(C)C ZINC000269073671 389006911 /nfs/dbraw/zinc/00/69/11/389006911.db2.gz UINVVQRZPLEICE-SNVBAGLBSA-N 0 0 241.356 2.193 10 0 BEAERN C[C@@H]1CN(c2cccc(F)c2N)[C@H](C)CO1 ZINC000037419686 132344592 /nfs/dbraw/zinc/34/45/92/132344592.db2.gz RIGBQWPZPCWICE-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN CC(=O)c1ccc(N2CCOCC2)c(Cl)c1 ZINC000058826119 132368535 /nfs/dbraw/zinc/36/85/35/132368535.db2.gz FIQZABIOJDUMNA-UHFFFAOYSA-N 0 0 239.702 2.379 10 0 BEAERN CC(C)CC[N@H+](CC(=O)[O-])C(C)(C)C ZINC000076583133 166834680 /nfs/dbraw/zinc/83/46/80/166834680.db2.gz SIFUTRVQHHQJLD-UHFFFAOYSA-N 0 0 201.310 2.218 10 0 BEAERN CC(C)CCN(C)c1ncnc(Cl)c1N ZINC000062363214 166835449 /nfs/dbraw/zinc/83/54/49/166835449.db2.gz LCNHOYXTUIGMTN-UHFFFAOYSA-N 0 0 228.727 2.195 10 0 BEAERN Nc1cccc2c1CCCN2C[C@@H]1CCOC1 ZINC000041079542 132223914 /nfs/dbraw/zinc/22/39/14/132223914.db2.gz SNWMNHWYUBQQNK-NSHDSACASA-N 0 0 232.327 2.058 10 0 BEAERN C[C@@H]1Oc2c(Cl)cccc2N(C)C1=O ZINC000062525437 132240127 /nfs/dbraw/zinc/24/01/27/132240127.db2.gz HNTVWCAQUXYWGL-LURJTMIESA-N 0 0 211.648 2.084 10 0 BEAERN C[C@@H]1SCCN(c2ccccn2)[C@H]1C ZINC000301258814 132252100 /nfs/dbraw/zinc/25/21/00/132252100.db2.gz CHHIGDPWTDIUNR-UWVGGRQHSA-N 0 0 208.330 2.412 10 0 BEAERN CN1c2ccccc2C(=O)[C@H]2C=CC=C[C@H]21 ZINC000031847920 132295018 /nfs/dbraw/zinc/29/50/18/132295018.db2.gz LKBQKXBDNZMHJZ-CMPLNLGQSA-N 0 0 211.264 2.430 10 0 BEAERN CCCc1cc(N2CCC(=O)CC2)nc(CC)n1 ZINC000045951242 132299367 /nfs/dbraw/zinc/29/93/67/132299367.db2.gz QKQFRNAEXMRLLQ-UHFFFAOYSA-N 0 0 247.342 2.161 10 0 BEAERN CCN(CC)c1ccc(N2CCOCC2)cc1 ZINC000090450093 132311574 /nfs/dbraw/zinc/31/15/74/132311574.db2.gz MENVZTYUSVPVJI-UHFFFAOYSA-N 0 0 234.343 2.369 10 0 BEAERN CCCCN1CC(=O)Nc2ccccc21 ZINC000033867720 132312164 /nfs/dbraw/zinc/31/21/64/132312164.db2.gz USXZKHNVHVJGJZ-UHFFFAOYSA-N 0 0 204.273 2.245 10 0 BEAERN O=Cc1ccc2c(c1)CCCN2C[C@@H]1CCCO1 ZINC000008419686 132318996 /nfs/dbraw/zinc/31/89/96/132318996.db2.gz GBISFSCNKDPIDR-AWEZNQCLSA-N 0 0 245.322 2.431 10 0 BEAERN CCCCN1c2ccc(N)cc2O[C@H](C)C1=O ZINC000011568858 132319771 /nfs/dbraw/zinc/31/97/71/132319771.db2.gz YJWLSMWDMMEHMM-SECBINFHSA-N 0 0 234.299 2.183 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ccc(N)cn2)C1 ZINC000019262372 132324400 /nfs/dbraw/zinc/32/44/00/132324400.db2.gz VEZVCFYVKAGGQT-NXEZZACHSA-N 0 0 205.305 2.146 10 0 BEAERN Nc1ccc(Cl)cc1N1CCCCC1=O ZINC000019414712 132324621 /nfs/dbraw/zinc/32/46/21/132324621.db2.gz RRSFQXAVRDOVJO-UHFFFAOYSA-N 0 0 224.691 2.439 10 0 BEAERN O=C1CCN(c2cccc3ncccc32)CC1 ZINC000019426044 132324969 /nfs/dbraw/zinc/32/49/69/132324969.db2.gz VVXYVQITEJZPDM-UHFFFAOYSA-N 0 0 226.279 2.404 10 0 BEAERN C[C@H]1CCCCN1c1ncccc1C(N)=S ZINC000019511438 132325743 /nfs/dbraw/zinc/32/57/43/132325743.db2.gz GDPUJRWGVSEYAK-VIFPVBQESA-N 0 0 235.356 2.095 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ccc(C(N)=S)cn2)C1 ZINC000019805758 132327594 /nfs/dbraw/zinc/32/75/94/132327594.db2.gz QBVYFLSXRRMJES-AOOOYVTPSA-N 0 0 249.383 2.198 10 0 BEAERN NC(=S)c1ccccc1N1CCCCC1 ZINC000020077132 132329651 /nfs/dbraw/zinc/32/96/51/132329651.db2.gz PHOGHQIBDMWNTD-UHFFFAOYSA-N 0 0 220.341 2.311 10 0 BEAERN CC(C)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000033464909 132336155 /nfs/dbraw/zinc/33/61/55/132336155.db2.gz CWTBBPJZCKCMSD-UHFFFAOYSA-N 0 0 233.311 2.362 10 0 BEAERN C[C@@H](O)c1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000035650422 132338839 /nfs/dbraw/zinc/33/88/39/132338839.db2.gz DIJONVMIVXLWPM-SDDRHHMPSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@@H]1COCCN1c1c(N)cccc1Cl ZINC000035774402 132339356 /nfs/dbraw/zinc/33/93/56/132339356.db2.gz PDXRLRHJBMMZKZ-MRVPVSSYSA-N 0 0 226.707 2.147 10 0 BEAERN C[C@@H](O)c1cc(F)ccc1N1CCOC[C@H]1C ZINC000035777331 132339483 /nfs/dbraw/zinc/33/94/83/132339483.db2.gz XGTLAVBWPRKULR-NXEZZACHSA-N 0 0 239.290 2.104 10 0 BEAERN CC[C@H]1CCCN(c2ncccc2C(N)=S)C1 ZINC000036170035 132340274 /nfs/dbraw/zinc/34/02/74/132340274.db2.gz ROBDLZZRCVHRHH-JTQLQIEISA-N 0 0 249.383 2.342 10 0 BEAERN Nc1cc(Cl)ccc1N1CCC[C@H](CO)C1 ZINC000036227036 132341094 /nfs/dbraw/zinc/34/10/94/132341094.db2.gz CHXJJMZLKDAFPJ-VIFPVBQESA-N 0 0 240.734 2.131 10 0 BEAERN CC1(C)CN(c2cccc(F)c2N)CCO1 ZINC000037419851 132344442 /nfs/dbraw/zinc/34/44/42/132344442.db2.gz RYLXBSHCPJCFKC-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1cc(C)c(C(=O)[O-])c(N2CCCCC2)[nH+]1 ZINC000037978137 132345841 /nfs/dbraw/zinc/34/58/41/132345841.db2.gz XEFNISPSGKRYLV-UHFFFAOYSA-N 0 0 234.299 2.387 10 0 BEAERN Nc1cc(F)c(N2CCSCC2)c(F)c1 ZINC000038039846 132345849 /nfs/dbraw/zinc/34/58/49/132345849.db2.gz JNVNXBAPAHAIQV-UHFFFAOYSA-N 0 0 230.283 2.100 10 0 BEAERN Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000038051486 132346064 /nfs/dbraw/zinc/34/60/64/132346064.db2.gz HCZOFOMWZCCHKP-UHFFFAOYSA-N 0 0 230.283 2.446 10 0 BEAERN COCCCN1CCSc2ccc(N)cc21 ZINC000038051487 132346081 /nfs/dbraw/zinc/34/60/81/132346081.db2.gz OADRNQFLDIUENR-UHFFFAOYSA-N 0 0 238.356 2.217 10 0 BEAERN OCc1cccnc1N1CCc2ccccc2C1 ZINC000040864468 132348868 /nfs/dbraw/zinc/34/88/68/132348868.db2.gz PEWWRNSGRWXGPL-UHFFFAOYSA-N 0 0 240.306 2.137 10 0 BEAERN OC1CCN(c2cccc(Cl)c2)CC1 ZINC000041225954 132349468 /nfs/dbraw/zinc/34/94/68/132349468.db2.gz GUJKBOMAIZCAQO-UHFFFAOYSA-N 0 0 211.692 2.301 10 0 BEAERN CCO[C@@H]1CCCN(c2ccccc2CO)C1 ZINC000042423417 132351756 /nfs/dbraw/zinc/35/17/56/132351756.db2.gz DERPHIXOSUVOIW-CYBMUJFWSA-N 0 0 235.327 2.184 10 0 BEAERN Nc1cccc(Cl)c1N1CCCC[C@H]1CO ZINC000042432208 132352323 /nfs/dbraw/zinc/35/23/23/132352323.db2.gz CTDGHMYEQIRTNU-VIFPVBQESA-N 0 0 240.734 2.273 10 0 BEAERN COc1ccc(C)cc1N1CCC(=O)[C@H](C)C1 ZINC000049693470 132356512 /nfs/dbraw/zinc/35/65/12/132356512.db2.gz DENHILIXCAPSGQ-LLVKDONJSA-N 0 0 233.311 2.419 10 0 BEAERN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)ccc1CO ZINC000050582411 132359355 /nfs/dbraw/zinc/35/93/55/132359355.db2.gz WTRCUSSXNZHPLV-RYUDHWBXSA-N 0 0 235.327 2.101 10 0 BEAERN Nc1ccc2c(c1)N(CCCCCO)CCC2 ZINC000051296713 132359851 /nfs/dbraw/zinc/35/98/51/132359851.db2.gz GDYQOCSDWWCHEL-UHFFFAOYSA-N 0 0 234.343 2.184 10 0 BEAERN CCCc1cc(N2CCC[C@@H](CCO)C2)ncn1 ZINC000051895280 132361972 /nfs/dbraw/zinc/36/19/72/132361972.db2.gz IPCLCZYUKYVQML-LBPRGKRZSA-N 0 0 249.358 2.028 10 0 BEAERN C[C@@H]1CCN(c2ccc(N)nc2)[C@H](C)C1 ZINC000060392677 132368797 /nfs/dbraw/zinc/36/87/97/132368797.db2.gz PCSUEKQCXWMLJB-NXEZZACHSA-N 0 0 205.305 2.289 10 0 BEAERN Cc1c(N)cccc1N1C[C@@H](C)OC[C@@H]1C ZINC000062724689 132388656 /nfs/dbraw/zinc/38/86/56/132388656.db2.gz AZHJOGOLQXWEJN-VHSXEESVSA-N 0 0 220.316 2.191 10 0 BEAERN Nc1nc2c(s1)CN(c1ccccc1)CC2 ZINC000098179869 132432512 /nfs/dbraw/zinc/43/25/12/132432512.db2.gz KZCSVPJWIREXLB-UHFFFAOYSA-N 0 0 231.324 2.288 10 0 BEAERN C[C@H](NC(=O)N[C@H]1CCC[C@H]1C)[C@H]1CCCO1 ZINC000407959481 133450555 /nfs/dbraw/zinc/45/05/55/133450555.db2.gz RYGCUOPUFQYIGO-NOOOWODRSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@@H]1CCO[C@@H]1C ZINC000408442837 133493697 /nfs/dbraw/zinc/49/36/97/133493697.db2.gz LPFDGDONIOJWBC-GHMZBOCLSA-N 0 0 242.363 2.145 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CC1(C)CCCC1 ZINC000334532976 133689486 /nfs/dbraw/zinc/68/94/86/133689486.db2.gz AYZVPFAQDWCKHP-NWDGAFQWSA-N 0 0 239.359 2.329 10 0 BEAERN CCC1(C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)CC1 ZINC000334753513 133753280 /nfs/dbraw/zinc/75/32/80/133753280.db2.gz UFQMTXFDAFBGQN-RYUDHWBXSA-N 0 0 249.354 2.204 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)n1 ZINC000335804610 133914948 /nfs/dbraw/zinc/91/49/48/133914948.db2.gz MVOXLKAMXHKNFL-QWRGUYRKSA-N 0 0 231.299 2.406 10 0 BEAERN C[C@@H]1CC(CNC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC000335961689 134026948 /nfs/dbraw/zinc/02/69/48/134026948.db2.gz FAQTZOXTQCADAE-NXEZZACHSA-N 0 0 242.363 2.288 10 0 BEAERN O=C(NC1CC1)N[C@H]1CCC12CCCC2 ZINC000336118021 134089058 /nfs/dbraw/zinc/08/90/58/134089058.db2.gz IJVDEXRRSQPOIZ-JTQLQIEISA-N 0 0 208.305 2.171 10 0 BEAERN COc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)c(O)c1 ZINC000336143817 134101356 /nfs/dbraw/zinc/10/13/56/134101356.db2.gz YTSVPBQTWNFTCK-JOYOIKCWSA-N 0 0 247.294 2.025 10 0 BEAERN CC(C)C(C)(C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000336160244 134110434 /nfs/dbraw/zinc/11/04/34/134110434.db2.gz YKSOXBXPEJXCMG-GHMZBOCLSA-N 0 0 227.348 2.304 10 0 BEAERN CCC1(O)CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000336179631 134117838 /nfs/dbraw/zinc/11/78/38/134117838.db2.gz RTJQTKHIYAOBKP-RYUDHWBXSA-N 0 0 239.359 2.186 10 0 BEAERN CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C1CC1 ZINC000167854729 134154126 /nfs/dbraw/zinc/15/41/26/134154126.db2.gz XRKJTIYSTMVKOQ-ONGXEEELSA-N 0 0 234.347 2.064 10 0 BEAERN CCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000170890841 134254440 /nfs/dbraw/zinc/25/44/40/134254440.db2.gz ZLZSYZCBIFGBIP-VIFPVBQESA-N 0 0 224.329 2.259 10 0 BEAERN COC(C)(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000170968747 134255964 /nfs/dbraw/zinc/25/59/64/134255964.db2.gz YOMDOIOCPDAJDH-LLVKDONJSA-N 0 0 249.310 2.051 10 0 BEAERN C[C@@H](NC(=O)N1CCCO[C@H](C)C1)C(C)(C)C ZINC000171951207 134262960 /nfs/dbraw/zinc/26/29/60/134262960.db2.gz UNSNKAHEVSOCKW-GHMZBOCLSA-N 0 0 242.363 2.241 10 0 BEAERN CNC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000172504907 134267868 /nfs/dbraw/zinc/26/78/68/134267868.db2.gz NFGDHRVHCDZQSG-CMPLNLGQSA-N 0 0 248.326 2.212 10 0 BEAERN CC(C)=CCNc1cccc(C(N)=O)c1 ZINC000219071783 134273441 /nfs/dbraw/zinc/27/34/41/134273441.db2.gz GLTGMWANOMIMAY-UHFFFAOYSA-N 0 0 204.273 2.164 10 0 BEAERN Cc1ncsc1CN[C@H](C)c1nccnc1C ZINC000219135481 134274552 /nfs/dbraw/zinc/27/45/52/134274552.db2.gz LOFZFWONQXVMBD-SNVBAGLBSA-N 0 0 248.355 2.401 10 0 BEAERN CCOCCSCc1nccn1CC ZINC000173742758 134274957 /nfs/dbraw/zinc/27/49/57/134274957.db2.gz CJHHKEXLVQPDJA-UHFFFAOYSA-N 0 0 214.334 2.173 10 0 BEAERN Cn1cncc1CN1CCC[C@@H]1c1ccco1 ZINC000177080836 134297336 /nfs/dbraw/zinc/29/73/36/134297336.db2.gz DQZGCKWFKCEZPP-GFCCVEGCSA-N 0 0 231.299 2.350 10 0 BEAERN C[C@H]([NH2+][C@@H](C)C1CC1)c1nnc2n1CCCC2 ZINC000177386751 134297867 /nfs/dbraw/zinc/29/78/67/134297867.db2.gz UQFHGNZCXRRBQU-UWVGGRQHSA-N 0 0 234.347 2.064 10 0 BEAERN O=C(Nc1ccccc1)[C@@H]1CCCn2ccnc21 ZINC000177783648 134300010 /nfs/dbraw/zinc/30/00/10/134300010.db2.gz OKVPQZNUZOCRKO-GFCCVEGCSA-N 0 0 241.294 2.399 10 0 BEAERN C[C@@H](C1CC1)N(C(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000178050857 134302637 /nfs/dbraw/zinc/30/26/37/134302637.db2.gz XNQMTTHPIMMZFC-GBIKHYSHSA-N 0 0 237.343 2.343 10 0 BEAERN CC(C)CN(C(=O)[C@H]1CC[C@H](C)O1)C(C)C ZINC000178188469 134304743 /nfs/dbraw/zinc/30/47/43/134304743.db2.gz QNDUIQIFKAXKLK-NWDGAFQWSA-N 0 0 227.348 2.447 10 0 BEAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358212 134308627 /nfs/dbraw/zinc/30/86/27/134308627.db2.gz PJRCCJMNJZDAKC-GXSJLCMTSA-N 0 0 232.287 2.057 10 0 BEAERN COc1ncccc1CN[C@H](C)c1ncc(C)o1 ZINC000220902748 134315069 /nfs/dbraw/zinc/31/50/69/134315069.db2.gz DIUZURYZBMCHGG-SNVBAGLBSA-N 0 0 247.298 2.237 10 0 BEAERN COC(=O)[C@@H](N[C@H](C)c1cccs1)C1CC1 ZINC000220976037 134315230 /nfs/dbraw/zinc/31/52/30/134315230.db2.gz JDXROVMABFNWOC-KCJUWKMLSA-N 0 0 239.340 2.350 10 0 BEAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCOC2)CC(C)(C)C1 ZINC000180533105 134329759 /nfs/dbraw/zinc/32/97/59/134329759.db2.gz LKVGATXFKNDEGY-GRYCIOLGSA-N 0 0 239.359 2.354 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CC12CCCCC2 ZINC000180677631 134331017 /nfs/dbraw/zinc/33/10/17/134331017.db2.gz QDQJJVCQSNGDSW-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN COCCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183450454 134351475 /nfs/dbraw/zinc/35/14/75/134351475.db2.gz VEHVLTMSLDRJQW-QWRGUYRKSA-N 0 0 227.348 2.211 10 0 BEAERN COCCC(C)(C)C(=O)N[C@H](C)C(C)C ZINC000183720239 134353875 /nfs/dbraw/zinc/35/38/75/134353875.db2.gz QERZPPORPWIRSM-SNVBAGLBSA-N 0 0 215.337 2.210 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)OCC1CC1 ZINC000184409613 134360663 /nfs/dbraw/zinc/36/06/63/134360663.db2.gz KMFPOJMDLMHFQB-NSHDSACASA-N 0 0 233.267 2.256 10 0 BEAERN O[C@@H]1CCOc2c(NC3CCOCC3)cccc21 ZINC000184572534 134363757 /nfs/dbraw/zinc/36/37/57/134363757.db2.gz ZFBIAPZZUZDUFE-CYBMUJFWSA-N 0 0 249.310 2.093 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)COC(C)(C)C ZINC000226516607 134363906 /nfs/dbraw/zinc/36/39/06/134363906.db2.gz PPHBVNPBBNZFQB-VHSXEESVSA-N 0 0 213.321 2.106 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N(C)CCCCCO ZINC000227097560 134374471 /nfs/dbraw/zinc/37/44/71/134374471.db2.gz CHBWXQRPDGFJNG-VXGBXAGGSA-N 0 0 227.348 2.044 10 0 BEAERN Cc1cncc(NC(=O)c2ccccc2N)c1 ZINC000227425612 134380222 /nfs/dbraw/zinc/38/02/22/134380222.db2.gz WOYFUWVIRKVPJZ-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C2CCC2)O1 ZINC000152145408 134494452 /nfs/dbraw/zinc/49/44/52/134494452.db2.gz CWLOEVOYKUBMDL-RTXFEEFZSA-N 0 0 237.343 2.345 10 0 BEAERN Fc1cccc(N[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000230308593 134495077 /nfs/dbraw/zinc/49/50/77/134495077.db2.gz JBTLMPTZYZHBNW-JOYOIKCWSA-N 0 0 222.263 2.200 10 0 BEAERN Cc1cccc2c1OCC[C@@H]2NC(=O)NC1CC1 ZINC000189694110 134551174 /nfs/dbraw/zinc/55/11/74/134551174.db2.gz DGAHTEVRIQRPES-LBPRGKRZSA-N 0 0 246.310 2.280 10 0 BEAERN CCCCCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000190207269 134558440 /nfs/dbraw/zinc/55/84/40/134558440.db2.gz BIWWKXBWKPFBPU-MNOVXSKESA-N 0 0 213.321 2.108 10 0 BEAERN CCCC(C)(C)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190787653 134565197 /nfs/dbraw/zinc/56/51/97/134565197.db2.gz IHRWQFQVTMYARQ-MNOVXSKESA-N 0 0 227.348 2.496 10 0 BEAERN CSCCCCC(=O)N1[C@H](C)COC[C@H]1C ZINC000131136848 134627114 /nfs/dbraw/zinc/62/71/14/134627114.db2.gz FAWOCHPLOSAFGK-GHMZBOCLSA-N 0 0 245.388 2.156 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)C1CCCC1 ZINC000132079378 134640464 /nfs/dbraw/zinc/64/04/64/134640464.db2.gz KJVALEGTLGQQGE-JQWIXIFHSA-N 0 0 225.332 2.345 10 0 BEAERN CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000049999210 134642414 /nfs/dbraw/zinc/64/24/14/134642414.db2.gz XPHUWNQKMGMANK-GFCCVEGCSA-N 0 0 234.299 2.329 10 0 BEAERN O=C(CCC1CCCC1)N[C@@H]1CCCC[C@@H]1O ZINC000052000770 134694475 /nfs/dbraw/zinc/69/44/75/134694475.db2.gz KXWNJAXKDMSJJK-OLZOCXBDSA-N 0 0 239.359 2.377 10 0 BEAERN CCCCS(=O)(=O)Cc1nccn1C(C)C ZINC000195520013 134844406 /nfs/dbraw/zinc/84/44/06/134844406.db2.gz JUGKWBRZOUUJEJ-UHFFFAOYSA-N 0 0 244.360 2.179 10 0 BEAERN C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@H]1C[C@H]1C ZINC000245416958 134854357 /nfs/dbraw/zinc/85/43/57/134854357.db2.gz JDIFPQFDYHUTAK-ZSEWYUTFSA-N 0 0 247.338 2.066 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000246676852 134958754 /nfs/dbraw/zinc/95/87/54/134958754.db2.gz GWLRNZNVYOHVNT-HPAJIGNASA-N 0 0 241.334 2.415 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247520759 134985075 /nfs/dbraw/zinc/98/50/75/134985075.db2.gz WLBIONYAEAAFPX-VOAKCMCISA-N 0 0 239.359 2.449 10 0 BEAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000248541110 135003887 /nfs/dbraw/zinc/00/38/87/135003887.db2.gz BOWAOZBDKRUSSB-CZXHOFHRSA-N 0 0 239.359 2.304 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCc2cccnc21 ZINC000248758961 135021431 /nfs/dbraw/zinc/02/14/31/135021431.db2.gz IYUIUUQDANKBGL-USWWRNFRSA-N 0 0 230.311 2.026 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000248888203 135024432 /nfs/dbraw/zinc/02/44/32/135024432.db2.gz IJGDKXHARQZZPY-ICCXJUOJSA-N 0 0 245.322 2.337 10 0 BEAERN O[C@@H]1CCCCC[C@@H]1Nc1ncncc1Cl ZINC000163643092 135026896 /nfs/dbraw/zinc/02/68/96/135026896.db2.gz HTMDSFACEMBYOT-VHSXEESVSA-N 0 0 241.722 2.236 10 0 BEAERN C[C@@H](N(C)C(=O)[C@@H]1CCCO[C@H]1C)C1(C)CC1 ZINC000249728370 135044919 /nfs/dbraw/zinc/04/49/19/135044919.db2.gz ZVVYSCLWJKRVIN-QJPTWQEYSA-N 0 0 239.359 2.449 10 0 BEAERN CCS[C@H](C(=O)N[C@H]1C[C@H]1C)C(C)C ZINC000250248856 135050177 /nfs/dbraw/zinc/05/01/77/135050177.db2.gz QTOGWZXTYNQHEH-UTLUCORTSA-N 0 0 215.362 2.289 10 0 BEAERN CC(C)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000250690522 135058187 /nfs/dbraw/zinc/05/81/87/135058187.db2.gz KAAKKTXWOGECKT-YNEHKIRRSA-N 0 0 239.359 2.185 10 0 BEAERN CCCC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252660555 135093829 /nfs/dbraw/zinc/09/38/29/135093829.db2.gz AGEKQSOBLQJZEL-OLZOCXBDSA-N 0 0 210.365 2.345 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC(C)(C)C2)O1 ZINC000252788125 135110031 /nfs/dbraw/zinc/11/00/31/135110031.db2.gz KMYJSSOJPUWASU-VWYCJHECSA-N 0 0 225.332 2.249 10 0 BEAERN CCOC(=O)[C@@H](C)N(C)c1nc(C)c(C)s1 ZINC000260486159 135148165 /nfs/dbraw/zinc/14/81/65/135148165.db2.gz SFHYKCGPXIFGSI-MRVPVSSYSA-N 0 0 242.344 2.148 10 0 BEAERN c1csc(CN2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000269681375 135166142 /nfs/dbraw/zinc/16/61/42/135166142.db2.gz TXDRZVSTRHMXGQ-WDEREUQCSA-N 0 0 238.356 2.287 10 0 BEAERN Cc1nocc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000334304875 135348408 /nfs/dbraw/zinc/34/84/08/135348408.db2.gz CGGDQEAZJDHVMG-STQMWFEESA-N 0 0 236.315 2.126 10 0 BEAERN CCC[N@H+](CCc1cccc(C)c1)CC(=O)[O-] ZINC000263417521 135353169 /nfs/dbraw/zinc/35/31/69/135353169.db2.gz NTCVYFNETHQJRK-UHFFFAOYSA-N 0 0 235.327 2.334 10 0 BEAERN CCn1ccnc1CS[C@H](C)CC(=O)OC ZINC000078811827 135396037 /nfs/dbraw/zinc/39/60/37/135396037.db2.gz CLPRSWPXXKGJMH-SECBINFHSA-N 0 0 242.344 2.088 10 0 BEAERN Cc1ccc(C)c(C(=O)N2C[C@@H](C)C[C@H](O)C2)c1 ZINC000335083661 135408283 /nfs/dbraw/zinc/40/82/83/135408283.db2.gz MSUCBSHNXXNGMP-AAEUAGOBSA-N 0 0 247.338 2.146 10 0 BEAERN c1ccc(NCc2nc([C@H]3CCOC3)no2)cc1 ZINC000087803935 135513297 /nfs/dbraw/zinc/51/32/97/135513297.db2.gz WHGSUISOMZKWSO-JTQLQIEISA-N 0 0 245.282 2.186 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CSCC(F)(F)F ZINC000090113722 135545438 /nfs/dbraw/zinc/54/54/38/135545438.db2.gz WHHZXJAIDZGIGX-SSDOTTSWSA-N 0 0 243.294 2.443 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nnnn1-c1ccccc1 ZINC000231663237 135626083 /nfs/dbraw/zinc/62/60/83/135626083.db2.gz KUKYZQDYBFYBHE-CMPLNLGQSA-N 0 0 243.314 2.263 10 0 BEAERN CC[C@H](NC(=O)C1CCC(=O)CC1)C(C)C ZINC000344122531 135744707 /nfs/dbraw/zinc/74/47/07/135744707.db2.gz DCKQPOMHMNNZSV-LBPRGKRZSA-N 0 0 225.332 2.297 10 0 BEAERN C[C@H]1CC[C@H](n2cnn(C(C)(C)C)c2=O)C1 ZINC000334953919 135849235 /nfs/dbraw/zinc/84/92/35/135849235.db2.gz ACHKVYPRILCFNF-UWVGGRQHSA-N 0 0 223.320 2.161 10 0 BEAERN C[C@@H]1CC[C@@H](N2C(=O)CC3(CCCC3)C2=O)C1 ZINC000335300464 136023542 /nfs/dbraw/zinc/02/35/42/136023542.db2.gz JGDNJNPFVLZRCS-GHMZBOCLSA-N 0 0 235.327 2.494 10 0 BEAERN C[C@@H]1CC[C@H](N2C(=O)CC3(CCCC3)C2=O)C1 ZINC000335300467 136023582 /nfs/dbraw/zinc/02/35/82/136023582.db2.gz JGDNJNPFVLZRCS-MNOVXSKESA-N 0 0 235.327 2.494 10 0 BEAERN CCCC(CCC)C(=O)NCC[C@@H](C)O ZINC000034027705 136077407 /nfs/dbraw/zinc/07/74/07/136077407.db2.gz NYBVSHAZIRPOEN-SNVBAGLBSA-N 0 0 215.337 2.090 10 0 BEAERN CC(C)CN(C(=O)[C@H]1CC[C@H](C)O1)C1CC1 ZINC000128650532 166926220 /nfs/dbraw/zinc/92/62/20/166926220.db2.gz RQSVILBDZOKEHZ-CMPLNLGQSA-N 0 0 225.332 2.201 10 0 BEAERN c1coc([C@@H]2NCc3ccccc3N2)c1 ZINC000196209128 397842037 /nfs/dbraw/zinc/84/20/37/397842037.db2.gz IZBKYCMKBIGPKJ-GFCCVEGCSA-N 0 0 200.241 2.494 10 0 BEAERN CCc1c(C)c2ccccc2n1CCC(N)=O ZINC000148279010 397930690 /nfs/dbraw/zinc/93/06/90/397930690.db2.gz LZMSADWREPOLQM-UHFFFAOYSA-N 0 0 230.311 2.388 10 0 BEAERN C[C@H](NC(=O)C1(C)CCCC1)c1ccon1 ZINC000408143579 397935877 /nfs/dbraw/zinc/93/58/77/397935877.db2.gz AHWLNKAWZDCAMD-VIFPVBQESA-N 0 0 222.288 2.432 10 0 BEAERN C[C@@H]1CC[C@@H](n2cnnc2Cl)CS1 ZINC000575463873 397947012 /nfs/dbraw/zinc/94/70/12/397947012.db2.gz DJOMANMUWMZURL-RNFRBKRXSA-N 0 0 217.725 2.388 10 0 BEAERN Cc1ccc(CNCc2nccn2C)cc1F ZINC000110908419 397904643 /nfs/dbraw/zinc/90/46/43/397904643.db2.gz GEEXCLVTFREIQC-UHFFFAOYSA-N 0 0 233.290 2.157 10 0 BEAERN CCCc1cc(NC(=O)c2ccc(C)n2C)n[nH]1 ZINC000110850592 397905270 /nfs/dbraw/zinc/90/52/70/397905270.db2.gz OXTHOMPDFKTEDP-UHFFFAOYSA-N 0 0 246.314 2.261 10 0 BEAERN CCOC(=O)c1cnc(Cl)cc1NC1CC1 ZINC000149719188 397910379 /nfs/dbraw/zinc/91/03/79/397910379.db2.gz FHSLGCLSJSOBBO-UHFFFAOYSA-N 0 0 240.690 2.486 10 0 BEAERN C[C@H]1CSC[C@@H]1n1ncc(Cl)c1N ZINC000306866234 397922170 /nfs/dbraw/zinc/92/21/70/397922170.db2.gz NHVQQWUMXBJBPS-FSPLSTOPSA-N 0 0 217.725 2.043 10 0 BEAERN C[C@@H]1C[C@@]1(C)Nc1nsnc1Cl ZINC000575592353 397990811 /nfs/dbraw/zinc/99/08/11/397990811.db2.gz ULSZMQPDHGWJJJ-CLZZGJSISA-N 0 0 203.698 2.402 10 0 BEAERN Cc1c[nH]c(=S)n1C1CC(F)(F)C1 ZINC000575594339 397995306 /nfs/dbraw/zinc/99/53/06/397995306.db2.gz ZDSAWXVZLREMTH-UHFFFAOYSA-N 0 0 204.245 2.450 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nc(C)nc(C)c1F ZINC000309093582 397998676 /nfs/dbraw/zinc/99/86/76/397998676.db2.gz DASPYKQKXYPVHW-DTWKUNHWSA-N 0 0 209.268 2.443 10 0 BEAERN CSc1ncnc(F)c1Br ZINC000575595966 398007624 /nfs/dbraw/zinc/00/76/24/398007624.db2.gz CNSPTDBAUSZRRX-UHFFFAOYSA-N 0 0 223.070 2.100 10 0 BEAERN CCC1CN(c2nsnc2Cl)C1 ZINC000575597559 398014977 /nfs/dbraw/zinc/01/49/77/398014977.db2.gz QABLNKVXTPDYMQ-UHFFFAOYSA-N 0 0 203.698 2.038 10 0 BEAERN CCc1nc([C@H](O)c2ccsn2)cs1 ZINC000307265142 398047385 /nfs/dbraw/zinc/04/73/85/398047385.db2.gz YCSOGGYCGAMDCF-SECBINFHSA-N 0 0 226.326 2.244 10 0 BEAERN CCC(F)(F)c1nnc(Br)o1 ZINC000575599328 398018992 /nfs/dbraw/zinc/01/89/92/398018992.db2.gz CGJWDLGNZPMBEL-UHFFFAOYSA-N 0 0 227.008 2.334 10 0 BEAERN C[C@@H]1CN(c2nsnc2Cl)[C@H]1C ZINC000575599491 398019028 /nfs/dbraw/zinc/01/90/28/398019028.db2.gz LOYPGIROJCRKAW-UHNVWZDZSA-N 0 0 203.698 2.036 10 0 BEAERN C[C@@H](NC(=O)C(C1CC1)C1CC1)[C@@H]1CCCO1 ZINC000122309243 398022205 /nfs/dbraw/zinc/02/22/05/398022205.db2.gz UTPQVMBSCZTVRQ-SKDRFNHKSA-N 0 0 237.343 2.106 10 0 BEAERN CC[C@H]1CS[C@H](c2nccn2CC)N1 ZINC000307264455 398048113 /nfs/dbraw/zinc/04/81/13/398048113.db2.gz FPXKPLXVBMAGGG-WCBMZHEXSA-N 0 0 211.334 2.017 10 0 BEAERN Nc1ncnc2cc(Cl)c(Cl)cc12 ZINC000575625350 398035174 /nfs/dbraw/zinc/03/51/74/398035174.db2.gz RGEWCZJJNKGWGH-UHFFFAOYSA-N 0 0 214.055 2.349 10 0 BEAERN Cc1cc(OC(F)(F)F)cc(N)c1[N+](=O)[O-] ZINC000575637484 398037851 /nfs/dbraw/zinc/03/78/51/398037851.db2.gz AAOOQBFNRSRSJE-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CC(C)Sc1ccc(N)c(N)c1F ZINC000575510122 397970237 /nfs/dbraw/zinc/97/02/37/397970237.db2.gz WAPCOZKREHVGEL-UHFFFAOYSA-N 0 0 200.282 2.491 10 0 BEAERN C[C@@H](Nc1cnns1)C1(Cl)CC1 ZINC000575465234 397975014 /nfs/dbraw/zinc/97/50/14/397975014.db2.gz AMVXCXXBQSVEIZ-RXMQYKEDSA-N 0 0 203.698 2.110 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000307120223 397981459 /nfs/dbraw/zinc/98/14/59/397981459.db2.gz HJVURSYYXKZRRT-IONNQARKSA-N 0 0 201.697 2.434 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000307120221 397981630 /nfs/dbraw/zinc/98/16/30/397981630.db2.gz HJVURSYYXKZRRT-APPZFPTMSA-N 0 0 201.697 2.434 10 0 BEAERN C[C@H](CF)Nc1ncc(N)cc1Cl ZINC000575582254 397983607 /nfs/dbraw/zinc/98/36/07/397983607.db2.gz DFYZQZMANCICQN-RXMQYKEDSA-N 0 0 203.648 2.087 10 0 BEAERN F[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000616581269 398043315 /nfs/dbraw/zinc/04/33/15/398043315.db2.gz KWKWVKSNUXPUBK-GMTAPVOTSA-N 0 0 201.285 2.036 10 0 BEAERN CC1(C)OC[C@@H](CCC(F)(F)F)[C@@H]1O ZINC000307134176 397986313 /nfs/dbraw/zinc/98/63/13/397986313.db2.gz ZZFAFZGPYORFQN-RQJHMYQMSA-N 0 0 212.211 2.115 10 0 BEAERN COC(=O)c1c(N)cc(C)cc1Br ZINC000575725724 398068689 /nfs/dbraw/zinc/06/86/89/398068689.db2.gz KAXKNUZVPYTDDD-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CCOC(=O)c1cc(CC)cc(C)c1N ZINC000575724672 398069684 /nfs/dbraw/zinc/06/96/84/398069684.db2.gz OSNXDBOPPWOXRE-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN O=c1cc(O)cc(-c2cccc(F)c2)[nH]1 ZINC000616588767 398071611 /nfs/dbraw/zinc/07/16/11/398071611.db2.gz FHECQRKPNVZSRI-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN C[C@H](Nc1cccnn1)c1ccccn1 ZINC000052816034 398076319 /nfs/dbraw/zinc/07/63/19/398076319.db2.gz JKXVBQNIJUYMMV-VIFPVBQESA-N 0 0 200.245 2.045 10 0 BEAERN CCOC(=O)Cc1cccc(OC)c1OCC ZINC000584594001 398077127 /nfs/dbraw/zinc/07/71/27/398077127.db2.gz BCLCSYLRWCJFGF-UHFFFAOYSA-N 0 0 238.283 2.200 10 0 BEAERN CC[C@H]1C[C@]1([NH3+])c1ccncc1Br ZINC000307316957 398077141 /nfs/dbraw/zinc/07/71/41/398077141.db2.gz OAKNSZLXFHPCRF-OIBJUYFYSA-N 0 0 241.132 2.428 10 0 BEAERN COC[C@@H]1CC(=O)c2ccsc2S1 ZINC000584639627 398083952 /nfs/dbraw/zinc/08/39/52/398083952.db2.gz WODGNJYEJKGCBY-LURJTMIESA-N 0 0 214.311 2.442 10 0 BEAERN CCOC(=O)c1cc(F)c(OC)cc1OC ZINC000260296766 398084091 /nfs/dbraw/zinc/08/40/91/398084091.db2.gz WMELUOMICXLSCT-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN CC(C)(C)c1cc(=S)[nH]c(=O)n1C1CC1 ZINC000409437421 398088552 /nfs/dbraw/zinc/08/85/52/398088552.db2.gz GMUFQBGLWWURPA-UHFFFAOYSA-N 0 0 224.329 2.164 10 0 BEAERN CCOP(=O)(OCC)C(F)(F)CCO ZINC000218046775 398099872 /nfs/dbraw/zinc/09/98/72/398099872.db2.gz HPDINZIWOKSAIS-UHFFFAOYSA-N 0 0 232.163 2.228 10 0 BEAERN O[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)COC2 ZINC000305994947 398103127 /nfs/dbraw/zinc/10/31/27/398103127.db2.gz HSQLGPOCXCQBRB-ZIAGYGMSSA-N 0 0 233.311 2.432 10 0 BEAERN CC(C)CNC(=S)NC(=O)CC(C)(C)C ZINC000040902091 167001657 /nfs/dbraw/zinc/00/16/57/167001657.db2.gz IVVWDQSPGFNDHU-UHFFFAOYSA-N 0 0 230.377 2.069 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1cccc(F)c1 ZINC000038115642 167136539 /nfs/dbraw/zinc/13/65/39/167136539.db2.gz AXYXFDNFEWZDFM-LBPRGKRZSA-N 0 0 211.280 2.031 10 0 BEAERN CC(C)Nc1cc(-n2cnnn2)ccc1Cl ZINC000037005049 167142060 /nfs/dbraw/zinc/14/20/60/167142060.db2.gz DYMCMKVRRNRJON-UHFFFAOYSA-N 0 0 237.694 2.136 10 0 BEAERN CC(C)Nc1cc(-c2cccnc2)[nH]n1 ZINC000062668419 167143153 /nfs/dbraw/zinc/14/31/53/167143153.db2.gz KMPNDDQNCWEVKU-UHFFFAOYSA-N 0 0 202.261 2.292 10 0 BEAERN Cc1ccc(CCC(=O)NCC(C)(C)CO)cc1 ZINC000119588138 487557114 /nfs/dbraw/zinc/55/71/14/487557114.db2.gz UUXRTEAKXCHAGA-UHFFFAOYSA-N 0 0 249.354 2.062 10 0 BEAERN CCc1cc(NC(=O)C2(C)CCCC2)n[nH]1 ZINC000129310135 487557412 /nfs/dbraw/zinc/55/74/12/487557412.db2.gz AHXQQMUDFXYLJN-UHFFFAOYSA-N 0 0 221.304 2.491 10 0 BEAERN CC[C@@H](O)CCNc1nc(C)cc(C(C)C)n1 ZINC000135081384 487560332 /nfs/dbraw/zinc/56/03/32/487560332.db2.gz HYEMJFAEZUXLBL-LLVKDONJSA-N 0 0 237.347 2.481 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000058667203 487565437 /nfs/dbraw/zinc/56/54/37/487565437.db2.gz QWYDYIGHWXHWHM-LBPRGKRZSA-N 0 0 237.274 2.125 10 0 BEAERN C[C@H]1CC(C)(C)C[C@](C(=O)[O-])([NH+](C)C)C1 ZINC000037358080 177063595 /nfs/dbraw/zinc/06/35/95/177063595.db2.gz VTBYZJYSHSWJDU-JOYOIKCWSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)Oc1ccc(C(N)=O)cc1Cl ZINC000079108418 167292858 /nfs/dbraw/zinc/29/28/58/167292858.db2.gz AGRLQWONKYYJJE-UHFFFAOYSA-N 0 0 213.664 2.226 10 0 BEAERN CCCc1noc(C[C@@]2(O)CC[C@@H](C)C2)n1 ZINC000536955690 487604053 /nfs/dbraw/zinc/60/40/53/487604053.db2.gz QEYPWTOAGKOXPA-BXKDBHETSA-N 0 0 224.304 2.116 10 0 BEAERN CC(C)S(=O)(=O)Cc1ccc(Cl)cc1N ZINC000050445138 167317159 /nfs/dbraw/zinc/31/71/59/167317159.db2.gz IZQDMWFNABVMSI-UHFFFAOYSA-N 0 0 247.747 2.245 10 0 BEAERN c1coc([C@@H]2C[C@H]2c2nc([C@@H]3CCOC3)no2)c1 ZINC000119031088 409593044 /nfs/dbraw/zinc/59/30/44/409593044.db2.gz HJWISZOXQFEANZ-OPRDCNLKSA-N 0 0 246.266 2.438 10 0 BEAERN Cc1ncn(C[C@H]2CCC[C@H](O)C2)c1C ZINC000308883011 409935263 /nfs/dbraw/zinc/93/52/63/409935263.db2.gz FNVAECVRVVMLDX-RYUDHWBXSA-N 0 0 208.305 2.051 10 0 BEAERN Brc1cc2nccnc2s1 ZINC000082370628 166095789 /nfs/dbraw/zinc/09/57/89/166095789.db2.gz SHXIRKBNXDZQAU-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1ccc(NC2COC2)cc1 ZINC000008699807 166098438 /nfs/dbraw/zinc/09/84/38/166098438.db2.gz MVCBHLRSKKAPPR-UHFFFAOYSA-N 0 0 228.089 2.260 10 0 BEAERN Brc1ccc2nc(C3CC3)nn2c1 ZINC000084051043 166099588 /nfs/dbraw/zinc/09/95/88/166099588.db2.gz UWNPRYCSJLXAKP-UHFFFAOYSA-N 0 0 238.088 2.369 10 0 BEAERN Brc1cn2ccnc2c(C2CC2)n1 ZINC000044120667 166104243 /nfs/dbraw/zinc/10/42/43/166104243.db2.gz ACDLNFVEFXZOQQ-UHFFFAOYSA-N 0 0 238.088 2.369 10 0 BEAERN Brc1ccccc1-c1ncncn1 ZINC000082548259 166103270 /nfs/dbraw/zinc/10/32/70/166103270.db2.gz IXOCHQYWUPOZKG-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cnc(C2CCOCC2)cn1 ZINC000044122219 166104441 /nfs/dbraw/zinc/10/44/41/166104441.db2.gz WTODBQMHZNWTJT-UHFFFAOYSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1cnc2ncsc2c1 ZINC000089229285 166104921 /nfs/dbraw/zinc/10/49/21/166104921.db2.gz VQWHWLWLUBJOJW-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1cnc([C@H]2CCOC2)s1 ZINC000044122117 166105068 /nfs/dbraw/zinc/10/50/68/166105068.db2.gz SAFOVFGXNWFXCM-YFKPBYRVSA-N 0 0 234.118 2.410 10 0 BEAERN Brc1scc2c1CNC2 ZINC000082380794 166108891 /nfs/dbraw/zinc/10/88/91/166108891.db2.gz IWNVZSCYKDGWJT-UHFFFAOYSA-N 0 0 204.092 2.114 10 0 BEAERN Brc1csc(-c2cnccn2)n1 ZINC000086292163 166105764 /nfs/dbraw/zinc/10/57/64/166105764.db2.gz MNEIWLUXMLYHLX-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Brc1snc2cccnc21 ZINC000039711855 166108640 /nfs/dbraw/zinc/10/86/40/166108640.db2.gz WPLSGKABFTZNND-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1cncc([C@H]2CCCOC2)n1 ZINC000072193058 166106496 /nfs/dbraw/zinc/10/64/96/166106496.db2.gz LLIZIWYLHHFLKD-ZETCQYMHSA-N 0 0 243.104 2.133 10 0 BEAERN CCn1cncc1Cn1cnc2c1CCCC2 ZINC000130485706 410402429 /nfs/dbraw/zinc/40/24/29/410402429.db2.gz SDPNKWYWIKSXAB-UHFFFAOYSA-N 0 0 230.315 2.027 10 0 BEAERN CC1(Nc2nc(Cl)nnc2Cl)CC1 ZINC000228910403 410450558 /nfs/dbraw/zinc/45/05/58/410450558.db2.gz ZOGQBQMKSHDNJZ-UHFFFAOYSA-N 0 0 219.075 2.143 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CC[C@H](C)O1 ZINC000663995768 410422724 /nfs/dbraw/zinc/42/27/24/410422724.db2.gz MVJMJRNLTQYQGF-QWRGUYRKSA-N 0 0 235.331 2.409 10 0 BEAERN CC1(NC(=O)c2ncccc2N)CCCCC1 ZINC000132644607 410429125 /nfs/dbraw/zinc/42/91/25/410429125.db2.gz VZLZUSQKQVCLEZ-UHFFFAOYSA-N 0 0 233.315 2.116 10 0 BEAERN O=CNc1cnc(Cl)c(Br)c1 ZINC000236055073 410569858 /nfs/dbraw/zinc/56/98/58/410569858.db2.gz SNMMPPQPJSYICG-UHFFFAOYSA-N 0 0 235.468 2.066 10 0 BEAERN CC(=O)c1cccc2c1[C@H](C)CN2C(C)=O ZINC000022005159 166479538 /nfs/dbraw/zinc/47/95/38/166479538.db2.gz KLDKJOBVHDWPEU-MRVPVSSYSA-N 0 0 217.268 2.359 10 0 BEAERN CC(C)(C)NC(=O)COc1ccc2[nH]ccc2c1 ZINC000126499880 166615669 /nfs/dbraw/zinc/61/56/69/166615669.db2.gz BQZFXHTXAYGWMY-UHFFFAOYSA-N 0 0 246.310 2.461 10 0 BEAERN CC(C)(C)NC(=O)CNc1cc(F)ccc1F ZINC000020045012 166615916 /nfs/dbraw/zinc/61/59/16/166615916.db2.gz BECFITDWPWEVGL-UHFFFAOYSA-N 0 0 242.269 2.291 10 0 BEAERN CC(C)(C)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000035355888 166637877 /nfs/dbraw/zinc/63/78/77/166637877.db2.gz XJNWZVAAHHOVFM-UHFFFAOYSA-N 0 0 233.315 2.364 10 0 BEAERN CC(C)C(=O)NCC[C@@H]1CNc2ccccc21 ZINC000019510905 166720530 /nfs/dbraw/zinc/72/05/30/166720530.db2.gz FRURBQCHJBXOMW-LLVKDONJSA-N 0 0 232.327 2.358 10 0 BEAERN CC(C)CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000019513648 166772307 /nfs/dbraw/zinc/77/23/07/166772307.db2.gz PCIWRLSDWZHJLZ-UHFFFAOYSA-N 0 0 236.340 2.305 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000126712528 166902730 /nfs/dbraw/zinc/90/27/30/166902730.db2.gz IPPZMBHGQVWNHE-SDDRHHMPSA-N 0 0 227.348 2.495 10 0 BEAERN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651124218 410822038 /nfs/dbraw/zinc/82/20/38/410822038.db2.gz CKFHFLRKLCSHPE-IKOXMDCHSA-N 0 0 249.354 2.008 10 0 BEAERN CC(C)C[NH2+][C@]1(C(=O)[O-])CCCC[C@@H]1C ZINC000037965281 167015764 /nfs/dbraw/zinc/01/57/64/167015764.db2.gz YLMUMUBTXFIMOH-CMPLNLGQSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)CNc1nc(Cl)nc(Cl)n1 ZINC000061053094 167019096 /nfs/dbraw/zinc/01/90/96/167019096.db2.gz MXCSGJNHZGRJRO-UHFFFAOYSA-N 0 0 221.091 2.246 10 0 BEAERN CC(C)CNc1nc(Cc2ccncc2)no1 ZINC000053750960 167019098 /nfs/dbraw/zinc/01/90/98/167019098.db2.gz PBALQWYESXPIMF-UHFFFAOYSA-N 0 0 232.287 2.123 10 0 BEAERN CC(C)COCC(=O)Nc1cc(N)ccc1F ZINC000019265325 167022938 /nfs/dbraw/zinc/02/29/38/167022938.db2.gz BWOOULHWBDYFKT-UHFFFAOYSA-N 0 0 240.278 2.019 10 0 BEAERN CC(C)[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000037182893 167136625 /nfs/dbraw/zinc/13/66/25/167136625.db2.gz DTNIJAGCJBOWBD-GFCCVEGCSA-N 0 0 225.263 2.124 10 0 BEAERN CC(C)Nc1ccccc1-c1nncn1C ZINC000037028092 167146253 /nfs/dbraw/zinc/14/62/53/167146253.db2.gz WOPJNJZWXMAHCB-UHFFFAOYSA-N 0 0 216.288 2.302 10 0 BEAERN CC(C)Nc1ncnc(N2CCCCCC2)c1N ZINC000040708021 167151232 /nfs/dbraw/zinc/15/12/32/167151232.db2.gz KYCUFNHVNWEOTE-UHFFFAOYSA-N 0 0 249.362 2.260 10 0 BEAERN CC(C)OC(=O)COc1cccc2c1NCCC2 ZINC000038056292 167159723 /nfs/dbraw/zinc/15/97/23/167159723.db2.gz ZKYRSCHVMUSPLW-UHFFFAOYSA-N 0 0 249.310 2.375 10 0 BEAERN CC(C)OC(=O)Nc1ccc(F)c(N)c1 ZINC000044238617 167166045 /nfs/dbraw/zinc/16/60/45/167166045.db2.gz WMAGGLRFMOPQTH-UHFFFAOYSA-N 0 0 212.224 2.365 10 0 BEAERN CC(C)OC(=O)[C@H]1[C@H](C)CC(=O)C[C@@H]1C ZINC000255004201 167168127 /nfs/dbraw/zinc/16/81/27/167168127.db2.gz SSEKMTKXNSYLLL-JZYVYDRUSA-N 0 0 212.289 2.189 10 0 BEAERN CC(C)OC(=O)c1cc(-c2ccco2)on1 ZINC000083160445 167172322 /nfs/dbraw/zinc/17/23/22/167172322.db2.gz QMLBYYOQHRVDKW-UHFFFAOYSA-N 0 0 221.212 2.500 10 0 BEAERN CC(C)OC(=S)NCc1ccccc1 ZINC000015785082 167173706 /nfs/dbraw/zinc/17/37/06/167173706.db2.gz VXNDLKVZIVDSGP-UHFFFAOYSA-N 0 0 209.314 2.486 10 0 BEAERN CC(C)OCC(=O)N[C@@H](C)C1CCCC1 ZINC000122335713 167189039 /nfs/dbraw/zinc/18/90/39/167189039.db2.gz PHIHFTGZQSJHBW-JTQLQIEISA-N 0 0 213.321 2.106 10 0 BEAERN CC(C)OCCC(=O)OCc1cncs1 ZINC000129847794 167202094 /nfs/dbraw/zinc/20/20/94/167202094.db2.gz DHSKTNHFXBNVHY-UHFFFAOYSA-N 0 0 229.301 2.001 10 0 BEAERN CC(C)OCCOCc1ccccc1N ZINC000019407729 167248750 /nfs/dbraw/zinc/24/87/50/167248750.db2.gz PWKZTXNDZJGDHV-UHFFFAOYSA-N 0 0 209.289 2.210 10 0 BEAERN CC(C)OCc1nc2sccc2c(N)n1 ZINC000050831830 167272665 /nfs/dbraw/zinc/27/26/65/167272665.db2.gz YWDZCEJKVLSJIO-UHFFFAOYSA-N 0 0 223.301 2.199 10 0 BEAERN CC(C)Oc1cc(N[C@H]2C[C@H]2C)ncn1 ZINC000085485766 167286082 /nfs/dbraw/zinc/28/60/82/167286082.db2.gz DXZQWDZVIGGYLJ-BDAKNGLRSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1ccc(-c2nccc(=O)[nH]2)cc1 ZINC000037742924 167287766 /nfs/dbraw/zinc/28/77/66/167287766.db2.gz PZQYEWXUJUVKJI-UHFFFAOYSA-N 0 0 230.267 2.224 10 0 BEAERN CC(C)Oc1cc(OC2CC2)c(C=O)cn1 ZINC000095721753 167288811 /nfs/dbraw/zinc/28/88/11/167288811.db2.gz WMOFRFXWZBCNRJ-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1cccc(-c2cc(N)n[nH]2)c1 ZINC000061666529 167305516 /nfs/dbraw/zinc/30/55/16/167305516.db2.gz HZRXFMRZGGVRMD-UHFFFAOYSA-N 0 0 217.272 2.446 10 0 BEAERN CC(C)Oc1cccc([C@H](O)c2nccn2C)c1 ZINC000061667096 167308769 /nfs/dbraw/zinc/30/87/69/167308769.db2.gz VNPFTKOWDMRZFB-ZDUSSCGKSA-N 0 0 246.310 2.289 10 0 BEAERN CC(C)Oc1nc(Cl)nc(NC2CCC2)n1 ZINC000061542313 167312031 /nfs/dbraw/zinc/31/20/31/167312031.db2.gz RRGUSRJMALSGRR-UHFFFAOYSA-N 0 0 242.710 2.277 10 0 BEAERN CC(C)Oc1nc(NC2CC2)ccc1N ZINC000037066708 167312147 /nfs/dbraw/zinc/31/21/47/167312147.db2.gz GXDVDXFUXUHRGP-UHFFFAOYSA-N 0 0 207.277 2.025 10 0 BEAERN CC(C)Oc1nc(N[C@H]2C[C@H]2C)ccc1N ZINC000052273932 167313773 /nfs/dbraw/zinc/31/37/73/167313773.db2.gz BEDMHOJCBDCQGU-SCZZXKLOSA-N 0 0 221.304 2.271 10 0 BEAERN CC(C)Oc1ncccc1NCc1cncnc1 ZINC000054768093 167314086 /nfs/dbraw/zinc/31/40/86/167314086.db2.gz KXMYAUPPDYJOIP-UHFFFAOYSA-N 0 0 244.298 2.271 10 0 BEAERN CC(C)Oc1ncc(Br)cc1N ZINC000040713932 167314106 /nfs/dbraw/zinc/31/41/06/167314106.db2.gz GEMPXSXFUKZNRG-UHFFFAOYSA-N 0 0 231.093 2.214 10 0 BEAERN CC(C)Sc1cc2c(cc1N)OCC(=O)N2 ZINC000037685015 167335745 /nfs/dbraw/zinc/33/57/45/167335745.db2.gz HHZVLDFEHITZMK-UHFFFAOYSA-N 0 0 238.312 2.100 10 0 BEAERN CC(C)Sc1nnc(C[C@H]2CCCO2)[nH]1 ZINC000073739496 167338974 /nfs/dbraw/zinc/33/89/74/167338974.db2.gz FMQIKMJBMJOAJY-MRVPVSSYSA-N 0 0 227.333 2.027 10 0 BEAERN CC(C)[C@@H](C)N(C)C(=O)c1cccc(N)c1 ZINC000036786355 167365891 /nfs/dbraw/zinc/36/58/91/167365891.db2.gz MTANXXZYHGKFOZ-SNVBAGLBSA-N 0 0 220.316 2.385 10 0 BEAERN CC(C)[C@@H](C)N(C)C(=O)c1sccc1N ZINC000042269226 167366262 /nfs/dbraw/zinc/36/62/62/167366262.db2.gz PWZTWVWUMKUHIT-MRVPVSSYSA-N 0 0 226.345 2.447 10 0 BEAERN CC(C)[C@@H](C)NC(=O)/C=C/c1cncc(F)c1 ZINC000104227619 167370530 /nfs/dbraw/zinc/37/05/30/167370530.db2.gz RTPXSIYQSUYFPH-ORAHPGNNSA-N 0 0 236.290 2.395 10 0 BEAERN CC(C)[C@@H](C)N(C)c1cc2c(cc1N)CC(=O)N2 ZINC000036787059 167370956 /nfs/dbraw/zinc/37/09/56/167370956.db2.gz LNKBWJVPEKBDAH-SECBINFHSA-N 0 0 247.342 2.244 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cc(F)ccc1N ZINC000036882923 167378229 /nfs/dbraw/zinc/37/82/29/167378229.db2.gz MLRXWXRJNAQDEH-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1nc2cccnc2s1 ZINC000193856266 167380024 /nfs/dbraw/zinc/38/00/24/167380024.db2.gz NEONMNUXDCZQDE-MRVPVSSYSA-N 0 0 249.339 2.466 10 0 BEAERN CC(C)[C@@H](C)Nc1cc2c(cc1N)OCC(=O)N2 ZINC000035452972 167385580 /nfs/dbraw/zinc/38/55/80/167385580.db2.gz BAICXURIZQFFBN-MRVPVSSYSA-N 0 0 249.314 2.056 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(F)c(C(N)=O)c1 ZINC000037021505 167385586 /nfs/dbraw/zinc/38/55/86/167385586.db2.gz NFHYOXQFITYIHX-MRVPVSSYSA-N 0 0 224.279 2.381 10 0 BEAERN CC(C)[C@@H](C)Nc1nc(Cl)nc(N(C)C)n1 ZINC000061522707 167387810 /nfs/dbraw/zinc/38/78/10/167387810.db2.gz CYVAYFNCRHUHPA-SSDOTTSWSA-N 0 0 243.742 2.047 10 0 BEAERN CC(C)[C@@H](C)Nc1nccn(C(C)C)c1=O ZINC000061762555 167388332 /nfs/dbraw/zinc/38/83/32/167388332.db2.gz LCXAYVHHVPNVGE-SNVBAGLBSA-N 0 0 223.320 2.281 10 0 BEAERN CC(C)[C@@H](C)Nc1ccnc(C(=O)N(C)C)c1 ZINC000035121993 167388343 /nfs/dbraw/zinc/38/83/43/167388343.db2.gz LDNLJWDFTWIYJC-SNVBAGLBSA-N 0 0 235.331 2.240 10 0 BEAERN Cc1ccc(CN2N=C3CCC[C@H]3C2=O)cc1 ZINC000104707371 410948571 /nfs/dbraw/zinc/94/85/71/410948571.db2.gz WKDFXQZRJPABFI-GFCCVEGCSA-N 0 0 228.295 2.493 10 0 BEAERN CC(C)[C@@H](Nc1cccc(Cl)c1)C(N)=O ZINC000041041988 167434983 /nfs/dbraw/zinc/43/49/83/167434983.db2.gz WPSFXZCGYJTMRW-SNVBAGLBSA-N 0 0 226.707 2.262 10 0 BEAERN CC(C)c1ccc(N2CC[C@H](O)C2)cc1 ZINC000077298942 167602322 /nfs/dbraw/zinc/60/23/22/167602322.db2.gz HCYUZSSHRXZFJM-ZDUSSCGKSA-N 0 0 205.301 2.381 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H](O)CC[C@H]2C)cs1 ZINC000399304662 411032293 /nfs/dbraw/zinc/03/22/93/411032293.db2.gz PTXSENDJJJVRMU-KCJUWKMLSA-N 0 0 239.340 2.042 10 0 BEAERN CC(C)c1ccccc1OCc1noc(CN)n1 ZINC000019786207 167643575 /nfs/dbraw/zinc/64/35/75/167643575.db2.gz FZRAJTYCWZQRGW-UHFFFAOYSA-N 0 0 247.298 2.231 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)C/C=C/c1ccccc1 ZINC000044621580 411138642 /nfs/dbraw/zinc/13/86/42/411138642.db2.gz SBNDXVUDCFWPBM-RSPDNQDQSA-N 0 0 233.311 2.495 10 0 BEAERN CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044860443 411141334 /nfs/dbraw/zinc/14/13/34/411141334.db2.gz ZVDFEOVJAOCCMX-SFYZADRCSA-N 0 0 209.211 2.244 10 0 BEAERN CCCn1nccc1NC(=O)N[C@@H](C)C(C)C ZINC000043722899 411126058 /nfs/dbraw/zinc/12/60/58/411126058.db2.gz QJKWUBHYCCICFC-JTQLQIEISA-N 0 0 238.335 2.459 10 0 BEAERN CCOC(=O)[C@@H]1Oc2ccccc2OC1(C)C ZINC000584615501 411170079 /nfs/dbraw/zinc/17/00/79/411170079.db2.gz YFAUNJFEMJDXIV-NSHDSACASA-N 0 0 236.267 2.168 10 0 BEAERN C[C@@H]1CC[C@H](C)[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000652440737 411243001 /nfs/dbraw/zinc/24/30/01/411243001.db2.gz YKLMFOIPZZSBTM-AOOOYVTPSA-N 0 0 234.299 2.153 10 0 BEAERN C[C@@H]1SCCS[C@@H]1c1ncc(C=O)cn1 ZINC000228183170 411182624 /nfs/dbraw/zinc/18/26/24/411182624.db2.gz WGHDAWPKKMGMFC-CBAPKCEASA-N 0 0 240.353 2.199 10 0 BEAERN C[C@@H]1SCCS[C@H]1c1ncc(C=O)cn1 ZINC000228183187 411182633 /nfs/dbraw/zinc/18/26/33/411182633.db2.gz WGHDAWPKKMGMFC-IONNQARKSA-N 0 0 240.353 2.199 10 0 BEAERN CCCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117562679 411185772 /nfs/dbraw/zinc/18/57/72/411185772.db2.gz HEFFHXHBKSLCTN-GWCFXTLKSA-N 0 0 233.311 2.467 10 0 BEAERN CC(C)n1cccc1C(=O)N[C@@H]1C[C@H]1C ZINC000121381362 167770563 /nfs/dbraw/zinc/77/05/63/167770563.db2.gz FUOUSKMGLNLVOF-NXEZZACHSA-N 0 0 206.289 2.207 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[C@H]2C)c1 ZINC000246386997 411205886 /nfs/dbraw/zinc/20/58/86/411205886.db2.gz UXULUHZVLWLCGD-HYNSBDGHSA-N 0 0 245.322 2.323 10 0 BEAERN CC(C)n1cnnc1[C@@H]1NCCc2sccc21 ZINC000054498262 167784257 /nfs/dbraw/zinc/78/42/57/167784257.db2.gz AEUNRUMWFOMGRI-LLVKDONJSA-N 0 0 248.355 2.156 10 0 BEAERN CC[NH+](CC)c1ccc(N(C)CC(=O)[O-])cc1 ZINC000058497370 169804382 /nfs/dbraw/zinc/80/43/82/169804382.db2.gz TYSNJYQYKQAKLJ-UHFFFAOYSA-N 0 0 236.315 2.054 10 0 BEAERN CCc1cc(NC(=O)CCC(C)C)n[nH]1 ZINC000049139250 411226218 /nfs/dbraw/zinc/22/62/18/411226218.db2.gz KMOQRIACFFAZPT-UHFFFAOYSA-N 0 0 209.293 2.347 10 0 BEAERN CC/C=C(/C)C(=O)N(CCO)C1CCCCC1 ZINC000042277488 167827897 /nfs/dbraw/zinc/82/78/97/167827897.db2.gz LNSMYRGTQKRVRY-GHXNOFRVSA-N 0 0 239.359 2.496 10 0 BEAERN Cc1ccc([C@H]2CC[C@@H](CO)OC2)cc1 ZINC000536959045 411266027 /nfs/dbraw/zinc/26/60/27/411266027.db2.gz WAEVIMRXXPBFJZ-STQMWFEESA-N 0 0 206.285 2.250 10 0 BEAERN c1cnc2sc(=NC3CCC3)[nH]c2c1 ZINC000536959041 411266165 /nfs/dbraw/zinc/26/61/65/411266165.db2.gz NDJODUZCUJNRPZ-UHFFFAOYSA-N 0 0 205.286 2.078 10 0 BEAERN COCCCC(=O)NCCC1CCCC1 ZINC000049651648 411278914 /nfs/dbraw/zinc/27/89/14/411278914.db2.gz TYJOSUZOOFLMHH-UHFFFAOYSA-N 0 0 213.321 2.110 10 0 BEAERN C[N@H+](C[C@@H]1Cc2ccccc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801512 411292408 /nfs/dbraw/zinc/29/24/08/411292408.db2.gz FZAYSJDLCNJUQI-RWMBFGLXSA-N 0 0 245.322 2.121 10 0 BEAERN C[N@H+](C[C@H]1Cc2ccccc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801513 411292417 /nfs/dbraw/zinc/29/24/17/411292417.db2.gz FZAYSJDLCNJUQI-UPJWGTAASA-N 0 0 245.322 2.121 10 0 BEAERN c1ccc(-c2nnc3ccccc3n2)nc1 ZINC000217990511 411309371 /nfs/dbraw/zinc/30/93/71/411309371.db2.gz FPWZTJJJILHZNB-UHFFFAOYSA-N 0 0 208.224 2.087 10 0 BEAERN CCNc1cc(C(F)(F)F)cc(=O)[nH]1 ZINC000225944566 411312242 /nfs/dbraw/zinc/31/22/42/411312242.db2.gz QDGUOOFWEQXZBX-UHFFFAOYSA-N 0 0 206.167 2.238 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(Cc2csnn2)C1 ZINC000127782230 411252989 /nfs/dbraw/zinc/25/29/89/411252989.db2.gz XKZIGYIRYRCFRP-RKDXNWHRSA-N 0 0 211.334 2.159 10 0 BEAERN CN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054653219 411351260 /nfs/dbraw/zinc/35/12/60/411351260.db2.gz UTKDDQSSHFGPHR-OLZOCXBDSA-N 0 0 233.311 2.243 10 0 BEAERN CC1(C)C[C@@H]1NC(=O)c1cc(F)c(N)c(F)c1 ZINC000063006237 167987459 /nfs/dbraw/zinc/98/74/59/167987459.db2.gz FFINFCTZUJKAGE-VIFPVBQESA-N 0 0 240.253 2.075 10 0 BEAERN C[C@H]1COC[C@H]1c1nc(Br)ns1 ZINC000575597487 411342557 /nfs/dbraw/zinc/34/25/57/411342557.db2.gz JIEFJQUWNMZDRN-CRCLSJGQSA-N 0 0 249.133 2.051 10 0 BEAERN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(N)ncc12 ZINC000026481061 168003781 /nfs/dbraw/zinc/00/37/81/168003781.db2.gz IIMAOEUSHZPPIU-PELKAZGASA-N 0 0 203.289 2.234 10 0 BEAERN CC1(CCNc2ccnc(Cl)c2)OCCO1 ZINC000302143250 168021468 /nfs/dbraw/zinc/02/14/68/168021468.db2.gz GBWZFUDJTCXNEF-UHFFFAOYSA-N 0 0 242.706 2.300 10 0 BEAERN CC1(CNC(=O)c2c(O)cccc2F)CCC1 ZINC000128543225 168037002 /nfs/dbraw/zinc/03/70/02/168037002.db2.gz HPHPULVLDLHDTD-UHFFFAOYSA-N 0 0 237.274 2.451 10 0 BEAERN CC1(CNc2ccc(N)c(C(N)=O)c2)CCCC1 ZINC000111762972 168048767 /nfs/dbraw/zinc/04/87/67/168048767.db2.gz NYEOSFWMSIURMK-UHFFFAOYSA-N 0 0 247.342 2.360 10 0 BEAERN CC1(COC2CCCC2)OCCCO1 ZINC000039112761 168051690 /nfs/dbraw/zinc/05/16/90/168051690.db2.gz AEGOCBSWODAHBF-UHFFFAOYSA-N 0 0 200.278 2.099 10 0 BEAERN CC1(NC(=O)c2csc(N)n2)CCCCC1 ZINC000055189124 168063398 /nfs/dbraw/zinc/06/33/98/168063398.db2.gz MTRDFKZHGIMENL-UHFFFAOYSA-N 0 0 239.344 2.178 10 0 BEAERN CC1=C(C(=O)N2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000336619884 168074928 /nfs/dbraw/zinc/07/49/28/168074928.db2.gz LRLQDZGICHHQJT-GHMZBOCLSA-N 0 0 223.316 2.123 10 0 BEAERN CC1=C(C)OP(=O)(n2ccnc2)O1 ZINC000001566125 168087233 /nfs/dbraw/zinc/08/72/33/168087233.db2.gz XTSDWAKWBYCFFE-UHFFFAOYSA-N 0 0 200.134 2.138 10 0 BEAERN CC1=C(c2ccccc2)C(C)(C)NC1=O ZINC000195991688 168088020 /nfs/dbraw/zinc/08/80/20/168088020.db2.gz NBBUFWGLOIHVHY-UHFFFAOYSA-N 0 0 201.269 2.369 10 0 BEAERN CC1=C(Cc2ccc(O)cc2)N(C)CO1 ZINC000100151333 168088393 /nfs/dbraw/zinc/08/83/93/168088393.db2.gz VEZBQZCBJIQZCL-UHFFFAOYSA-N 0 0 205.257 2.086 10 0 BEAERN CC1=CC(C)(C)N=C2SC=CC(=O)N12 ZINC000002201237 168091882 /nfs/dbraw/zinc/09/18/82/168091882.db2.gz OFUXVRTZRSUBDC-UHFFFAOYSA-N 0 0 208.286 2.128 10 0 BEAERN CC1=CC(=O)N[C@@H](c2ccccc2)S1 ZINC000196406461 168092967 /nfs/dbraw/zinc/09/29/67/168092967.db2.gz YCVXQLFOBWCTDT-LLVKDONJSA-N 0 0 205.282 2.452 10 0 BEAERN CC1CCC(CNc2ccc(CO)cn2)CC1 ZINC000356308774 168153506 /nfs/dbraw/zinc/15/35/06/168153506.db2.gz UNJULFMQPJHPSZ-UHFFFAOYSA-N 0 0 234.343 2.234 10 0 BEAERN CC1CCC(OCc2nnsc2N)CC1 ZINC000050831953 168168340 /nfs/dbraw/zinc/16/83/40/168168340.db2.gz VGTHHLULSCLSRH-UHFFFAOYSA-N 0 0 227.333 2.216 10 0 BEAERN CC1CCN(C(=O)c2cc(N)ccc2F)CC1 ZINC000035651216 168175603 /nfs/dbraw/zinc/17/56/03/168175603.db2.gz CVRCILPYNJRVBS-UHFFFAOYSA-N 0 0 236.290 2.280 10 0 BEAERN CC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 ZINC000013207605 168177363 /nfs/dbraw/zinc/17/73/63/168177363.db2.gz ZWPOEMIWUGMNFU-UHFFFAOYSA-N 0 0 243.310 2.435 10 0 BEAERN CCC(=O)Cc1nc(-c2ccc(F)cc2)no1 ZINC000104052676 168210129 /nfs/dbraw/zinc/21/01/29/168210129.db2.gz YEWYFJOFJRYEBS-UHFFFAOYSA-N 0 0 234.230 2.397 10 0 BEAERN CCC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000130393363 168221404 /nfs/dbraw/zinc/22/14/04/168221404.db2.gz IVLJFNNDUXDRRV-CYBMUJFWSA-N 0 0 249.310 2.005 10 0 BEAERN CCOc1cc(C=O)c(C#N)c(OCC)c1 ZINC000575639068 411382195 /nfs/dbraw/zinc/38/21/95/411382195.db2.gz VURNNXKMEMYUCM-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCC(=O)NCc1cc2c(cccc2OC)[nH]1 ZINC000013494161 168232740 /nfs/dbraw/zinc/23/27/40/168232740.db2.gz YWPADYLLRUQSKO-UHFFFAOYSA-N 0 0 232.283 2.203 10 0 BEAERN CCC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110441585 168232832 /nfs/dbraw/zinc/23/28/32/168232832.db2.gz ZCHLMGBSCYZROM-NEPJUHHUSA-N 0 0 203.285 2.316 10 0 BEAERN CCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110441581 168233831 /nfs/dbraw/zinc/23/38/31/168233831.db2.gz ZCHLMGBSCYZROM-VXGBXAGGSA-N 0 0 203.285 2.316 10 0 BEAERN CCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173922362 168238664 /nfs/dbraw/zinc/23/86/64/168238664.db2.gz CYQGARZEDASPAG-LLVKDONJSA-N 0 0 243.310 2.460 10 0 BEAERN CCC(=O)Nc1cccc2c1NCCC2 ZINC000019271275 168246986 /nfs/dbraw/zinc/24/69/86/168246986.db2.gz KQASXRPXTMEFDW-UHFFFAOYSA-N 0 0 204.273 2.393 10 0 BEAERN CCC(=O)Nc1ccccc1N(C)C(C)=O ZINC000118262207 168247043 /nfs/dbraw/zinc/24/70/43/168247043.db2.gz RHHHDAQCNCQBCQ-UHFFFAOYSA-N 0 0 220.272 2.018 10 0 BEAERN CCC(=O)c1ccc2sc(N)nc2c1 ZINC000045237024 168257126 /nfs/dbraw/zinc/25/71/26/168257126.db2.gz KFSDUSSHZDYQAN-UHFFFAOYSA-N 0 0 206.270 2.471 10 0 BEAERN CCC(C)(C)C(=O)Nc1cc(C)c(N)cn1 ZINC000054401581 168269066 /nfs/dbraw/zinc/26/90/66/168269066.db2.gz FCJFHYQTEDYQEP-UHFFFAOYSA-N 0 0 221.304 2.347 10 0 BEAERN CCC(C)(C)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000340274767 168274459 /nfs/dbraw/zinc/27/44/59/168274459.db2.gz HGIGDFLIQDCXJJ-NEPJUHHUSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)NC(=O)[C@H]1CNc2ccccc2O1 ZINC000019475417 168295175 /nfs/dbraw/zinc/29/51/75/168295175.db2.gz KYJGPVMBFPIUIK-GFCCVEGCSA-N 0 0 248.326 2.164 10 0 BEAERN CCC(C)(CC)NC(=O)CCOC(C)C ZINC000112827830 168307297 /nfs/dbraw/zinc/30/72/97/168307297.db2.gz YLURJJPQSRZFMG-UHFFFAOYSA-N 0 0 215.337 2.496 10 0 BEAERN Cc1cc(N[C@@H]2CNc3ccccc3C2)ncn1 ZINC000404434090 411396457 /nfs/dbraw/zinc/39/64/57/411396457.db2.gz DCFTXQZVIPFXLY-LBPRGKRZSA-N 0 0 240.310 2.234 10 0 BEAERN CN1C[C@H](c2ccc(N)nc2)Nc2ccccc21 ZINC000616683675 411415314 /nfs/dbraw/zinc/41/53/14/411415314.db2.gz SYNZYQZYLPJFNF-GFCCVEGCSA-N 0 0 240.310 2.097 10 0 BEAERN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000305993956 411430112 /nfs/dbraw/zinc/43/01/12/411430112.db2.gz TZVCCMCPPFOTGN-WDEREUQCSA-N 0 0 248.326 2.400 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H](C)C[C@H](C)O)n1 ZINC000122512485 411434485 /nfs/dbraw/zinc/43/44/85/411434485.db2.gz YKWJHOZOUBEXSN-ONGXEEELSA-N 0 0 237.347 2.480 10 0 BEAERN Cc1cc(C(C)C)nc(N2CC[C@@H]([C@@H](C)O)C2)n1 ZINC000122635973 411435175 /nfs/dbraw/zinc/43/51/75/411435175.db2.gz QHWHZUCAEGNQKK-VXGBXAGGSA-N 0 0 249.358 2.116 10 0 BEAERN Cc1nnc(NCc2scnc2C2CC2)o1 ZINC000309884349 411447417 /nfs/dbraw/zinc/44/74/17/411447417.db2.gz XIKYYAQFEGTGCG-UHFFFAOYSA-N 0 0 236.300 2.324 10 0 BEAERN CCN(c1ccc(N)c(OC(C)C)n1)C1CC1 ZINC000037079499 169942381 /nfs/dbraw/zinc/94/23/81/169942381.db2.gz RNCOHMYMNOLLLP-UHFFFAOYSA-N 0 0 235.331 2.440 10 0 BEAERN CCN(c1cnc(C(C)C)nc1CO)C(C)C ZINC000050365119 169944663 /nfs/dbraw/zinc/94/46/63/169944663.db2.gz PTXBTUGWDKQIRZ-UHFFFAOYSA-N 0 0 237.347 2.327 10 0 BEAERN CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000334185938 169981601 /nfs/dbraw/zinc/98/16/01/169981601.db2.gz FASAKMNJKJWJPF-LBPRGKRZSA-N 0 0 219.332 2.445 10 0 BEAERN CCN1Cc2c(Cl)ccnc2NC1=O ZINC000205167727 170040910 /nfs/dbraw/zinc/04/09/10/170040910.db2.gz CIFFXHPDIGLDQS-UHFFFAOYSA-N 0 0 211.652 2.102 10 0 BEAERN CCNC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000045164997 170048129 /nfs/dbraw/zinc/04/81/29/170048129.db2.gz HGIOLUKOIOGDRV-UHFFFAOYSA-N 0 0 233.311 2.348 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035083619 170088806 /nfs/dbraw/zinc/08/88/06/170088806.db2.gz JWYYWNFQPDUFAG-SSDOTTSWSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cccc(OCC)c1 ZINC000049565944 170089020 /nfs/dbraw/zinc/08/90/20/170089020.db2.gz CAGHRKYDLYSQIE-SNVBAGLBSA-N 0 0 236.315 2.022 10 0 BEAERN CCNC(=O)[C@H](C)Oc1c(C)cc(C=O)cc1C ZINC000020424405 170096545 /nfs/dbraw/zinc/09/65/45/170096545.db2.gz WJDBRRXRQYMLRW-NSHDSACASA-N 0 0 249.310 2.019 10 0 BEAERN CCNC(=O)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000019488475 170099578 /nfs/dbraw/zinc/09/95/78/170099578.db2.gz WJTOLXVWWOKPJN-ONGXEEELSA-N 0 0 218.300 2.110 10 0 BEAERN CCNC(=O)c1c(N)sc2c1CC[C@H](C)C2 ZINC000104277305 170100125 /nfs/dbraw/zinc/10/01/25/170100125.db2.gz DPUPCMLPHVRVHU-ZETCQYMHSA-N 0 0 238.356 2.205 10 0 BEAERN CCNC(=O)c1cc(C(C)C)sc1N ZINC000104423178 170100180 /nfs/dbraw/zinc/10/01/80/170100180.db2.gz BODKGVUCWRVAMJ-UHFFFAOYSA-N 0 0 212.318 2.203 10 0 BEAERN CCNC(=O)c1cc(N[C@H](C)C(C)C)ccn1 ZINC000035674073 170100872 /nfs/dbraw/zinc/10/08/72/170100872.db2.gz MHPHXCAGFIZGPT-SNVBAGLBSA-N 0 0 235.331 2.288 10 0 BEAERN CCNC(=O)c1ccc(N)c(NCC(C)C)c1 ZINC000103966161 170102166 /nfs/dbraw/zinc/10/21/66/170102166.db2.gz BKZGNVSTUZKUSG-UHFFFAOYSA-N 0 0 235.331 2.086 10 0 BEAERN CCNCc1noc(-c2c(F)cccc2F)n1 ZINC000051860610 170132128 /nfs/dbraw/zinc/13/21/28/170132128.db2.gz DTWCVXLHUGLKDA-UHFFFAOYSA-N 0 0 239.225 2.124 10 0 BEAERN CC[NH2+][C@@H](CCO[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062543813 170144682 /nfs/dbraw/zinc/14/46/82/170144682.db2.gz USBDLVKZRGZRLJ-SRVKXCTJSA-N 0 0 243.347 2.035 10 0 BEAERN CC[NH2+][C@@](C)(C(N)=O)c1ccc2ccccc2c1 ZINC000037447672 170154711 /nfs/dbraw/zinc/15/47/11/170154711.db2.gz FEJRXROUHRGZMR-OAHLLOKOSA-N 0 0 242.322 2.150 10 0 BEAERN CC[NH2+][C@@](CC(C)C)(C(N)=O)c1ccccc1 ZINC000037447546 170154721 /nfs/dbraw/zinc/15/47/21/170154721.db2.gz BCMQVBQHCIQOSV-CQSZACIVSA-N 0 0 234.343 2.023 10 0 BEAERN CC[NH2+][C@@](C)(CO)c1cccc(Cl)c1 ZINC000038120182 170154790 /nfs/dbraw/zinc/15/47/90/170154790.db2.gz QCWGIESPURXKKN-NSHDSACASA-N 0 0 213.708 2.157 10 0 BEAERN CCN[C@@]1(C(=O)OCC)CCc2ccccc2C1 ZINC000037515815 170155834 /nfs/dbraw/zinc/15/58/34/170155834.db2.gz UBFHNYRZPXBIKP-HNNXBMFYSA-N 0 0 247.338 2.087 10 0 BEAERN CCN[C@H](c1ccc(F)c(F)c1)c1cnccn1 ZINC000055237381 170164169 /nfs/dbraw/zinc/16/41/69/170164169.db2.gz YRMSLSFIKQKJPK-CYBMUJFWSA-N 0 0 249.264 2.454 10 0 BEAERN CCN[C@H](c1cccc(F)c1)c1ncccn1 ZINC000037536331 170164425 /nfs/dbraw/zinc/16/44/25/170164425.db2.gz WWJRKVHDYVRHQH-GFCCVEGCSA-N 0 0 231.274 2.315 10 0 BEAERN CCN[C@H](c1ccoc1C)c1nccn1C ZINC000041048658 170164800 /nfs/dbraw/zinc/16/48/00/170164800.db2.gz NNFDPBLHDLVIFB-LLVKDONJSA-N 0 0 219.288 2.020 10 0 BEAERN CCN[C@](C)(C(=O)OCC)c1cccc(F)c1 ZINC000037447251 170170146 /nfs/dbraw/zinc/17/01/46/170170146.db2.gz SBOSMKRMOREZFB-ZDUSSCGKSA-N 0 0 239.290 2.214 10 0 BEAERN CC[NH2+][C@]1(C(=O)[O-])CCSc2ccccc21 ZINC000037181571 170170830 /nfs/dbraw/zinc/17/08/30/170170830.db2.gz VQQHYGIMVKUXFF-GFCCVEGCSA-N 0 0 237.324 2.072 10 0 BEAERN CCNc1cc(C(=O)N[C@@H](C)C2CC2)ccn1 ZINC000050751613 170171413 /nfs/dbraw/zinc/17/14/13/170171413.db2.gz GWINRTQYWNMIAO-VIFPVBQESA-N 0 0 233.315 2.042 10 0 BEAERN CCNc1cc(CN2CCOCC2(C)C)ccn1 ZINC000052730452 170171970 /nfs/dbraw/zinc/17/19/70/170171970.db2.gz VVMLDGUSNHDKQT-UHFFFAOYSA-N 0 0 249.358 2.124 10 0 BEAERN CCNc1cc(CN2CCCCCC2=O)ccn1 ZINC000052732810 170172212 /nfs/dbraw/zinc/17/22/12/170172212.db2.gz KWBMGCDPFWSHOZ-UHFFFAOYSA-N 0 0 247.342 2.416 10 0 BEAERN CCNc1cc(OCC)nc(C2CC2)n1 ZINC000082491256 170173050 /nfs/dbraw/zinc/17/30/50/170173050.db2.gz IOSUEKZQXFQHCB-UHFFFAOYSA-N 0 0 207.277 2.185 10 0 BEAERN CCNc1cc(Cn2cc(C)cn2)ccn1 ZINC000052733534 170173071 /nfs/dbraw/zinc/17/30/71/170173071.db2.gz XACYKYYGQIRMQI-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCNc1cc(OCC(C)C)nc(C)n1 ZINC000082483131 170173075 /nfs/dbraw/zinc/17/30/75/170173075.db2.gz GYYYGXQRNBVEHY-UHFFFAOYSA-N 0 0 209.293 2.252 10 0 BEAERN CCNc1ccc(C(=O)NCC2CCC2)cn1 ZINC000050749015 170173237 /nfs/dbraw/zinc/17/32/37/170173237.db2.gz ZEHDLRWGMHQHTR-UHFFFAOYSA-N 0 0 233.315 2.043 10 0 BEAERN CCNc1ccc(Cl)c(C(=O)NC)c1 ZINC000037778719 170173258 /nfs/dbraw/zinc/17/32/58/170173258.db2.gz IMBJZFXTMZWECV-UHFFFAOYSA-N 0 0 212.680 2.131 10 0 BEAERN CCNc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000052303327 170173726 /nfs/dbraw/zinc/17/37/26/170173726.db2.gz OBXKJGYSXBCFHH-JOYOIKCWSA-N 0 0 218.300 2.257 10 0 BEAERN CCNc1ccc(Cl)c(COC)n1 ZINC000061639886 170173806 /nfs/dbraw/zinc/17/38/06/170173806.db2.gz GXXFXQLMBWUKAZ-UHFFFAOYSA-N 0 0 200.669 2.313 10 0 BEAERN CCNc1ccc(COCCOC(C)C)cn1 ZINC000050832089 170173832 /nfs/dbraw/zinc/17/38/32/170173832.db2.gz GYOXWLPEMAJHPM-UHFFFAOYSA-N 0 0 238.331 2.455 10 0 BEAERN CCNc1ccc(C(=O)Nc2cccnc2)cn1 ZINC000050726846 170173883 /nfs/dbraw/zinc/17/38/83/170173883.db2.gz UBYODYOXBZTDGP-UHFFFAOYSA-N 0 0 242.282 2.161 10 0 BEAERN CCNc1ccc2c(c1)CCN2C(C)=O ZINC000035036599 170174210 /nfs/dbraw/zinc/17/42/10/170174210.db2.gz SJLNQLSEGFJNEM-UHFFFAOYSA-N 0 0 204.273 2.027 10 0 BEAERN CCNc1ccnc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000050746004 170175371 /nfs/dbraw/zinc/17/53/71/170175371.db2.gz ORNMGHHAYFUAIU-JTQLQIEISA-N 0 0 235.331 2.288 10 0 BEAERN CCNc1ccnc(C(=O)NCCC(C)C)c1 ZINC000050721000 170175527 /nfs/dbraw/zinc/17/55/27/170175527.db2.gz ZPGPKZHLFADREX-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN CCNc1ncccc1C(=O)Nc1ccccn1 ZINC000050726128 170178173 /nfs/dbraw/zinc/17/81/73/170178173.db2.gz PBCHETAYFZKDQK-UHFFFAOYSA-N 0 0 242.282 2.161 10 0 BEAERN CCNc1ncnc(Oc2ccccc2)c1N ZINC000040707471 170178479 /nfs/dbraw/zinc/17/84/79/170178479.db2.gz ODCRKIGKCRMSLD-UHFFFAOYSA-N 0 0 230.271 2.283 10 0 BEAERN CCOC(=N)[C@@H](O)c1ccc(F)cc1F ZINC000211757848 170179831 /nfs/dbraw/zinc/17/98/31/170179831.db2.gz RZRTWJRDRJJZQP-VIFPVBQESA-N 0 0 215.199 2.012 10 0 BEAERN CCOC(=O)/C(Br)=C\C(F)(F)F ZINC000083261416 170181338 /nfs/dbraw/zinc/18/13/38/170181338.db2.gz PQHJSEFAYJGCNJ-ONEGZZNKSA-N 0 0 247.010 2.391 10 0 BEAERN CCOC(=O)C(O)=C(CC)C(=O)c1ccccc1 ZINC000100042935 170184196 /nfs/dbraw/zinc/18/41/96/170184196.db2.gz OLAHGKSSHSOCKK-NSHDSACASA-N 0 0 248.278 2.028 10 0 BEAERN CCOC(=O)C(=O)c1ccccc1C(F)(F)F ZINC000075865366 170184617 /nfs/dbraw/zinc/18/46/17/170184617.db2.gz VMYGMYHZUAQAOL-UHFFFAOYSA-N 0 0 246.184 2.451 10 0 BEAERN CCOC(=O)C(=O)c1c(C)n(C)c2ccccc21 ZINC000071559675 170184723 /nfs/dbraw/zinc/18/47/23/170184723.db2.gz WMIKCLLVWBQEHW-UHFFFAOYSA-N 0 0 245.278 2.233 10 0 BEAERN CCOC(=O)C(C)(C)Oc1cccc(O)c1 ZINC000066325570 170188143 /nfs/dbraw/zinc/18/81/43/170188143.db2.gz PBNAWTJZYVLBIP-UHFFFAOYSA-N 0 0 224.256 2.113 10 0 BEAERN CCOC(=O)CC(=O)Cc1ccc(C)c(C)c1 ZINC000002518216 170194322 /nfs/dbraw/zinc/19/43/22/170194322.db2.gz LWKKHGYYEXIETL-UHFFFAOYSA-N 0 0 234.295 2.368 10 0 BEAERN CCOC(=O)CC(=O)c1cc(Cl)ccc1O ZINC000076819026 170197104 /nfs/dbraw/zinc/19/71/04/170197104.db2.gz MDPRGWOMDSIXEQ-UHFFFAOYSA-N 0 0 242.658 2.182 10 0 BEAERN CCOC(=O)COCc1ccccc1Cl ZINC000020431376 170229208 /nfs/dbraw/zinc/22/92/08/170229208.db2.gz DILMWDJYXLUOEQ-UHFFFAOYSA-N 0 0 228.675 2.420 10 0 BEAERN CCOC(=O)COc1ccc(N)c2ccccc12 ZINC000104199318 170229245 /nfs/dbraw/zinc/22/92/45/170229245.db2.gz HPWHLXAOXSHMRD-UHFFFAOYSA-N 0 0 245.278 2.364 10 0 BEAERN CCOC(=O)COc1cccc2[nH]ccc21 ZINC000032501092 170229399 /nfs/dbraw/zinc/22/93/99/170229399.db2.gz OGYYWFFUARJZKP-UHFFFAOYSA-N 0 0 219.240 2.110 10 0 BEAERN CCOC(=O)C[C@@H]1Cc2ccc(OC)cc2C1 ZINC000091297235 170232045 /nfs/dbraw/zinc/23/20/45/170232045.db2.gz IHAWUOQWFRVIKZ-SNVBAGLBSA-N 0 0 234.295 2.363 10 0 BEAERN CCOC(=O)Cc1ccc(OCC)c(OC)c1 ZINC000033607027 170236308 /nfs/dbraw/zinc/23/63/08/170236308.db2.gz DQCZXRSORTVWEK-UHFFFAOYSA-N 0 0 238.283 2.200 10 0 BEAERN CCOC(=O)NCC[C@H]1CNc2ccccc21 ZINC000019424808 170241481 /nfs/dbraw/zinc/24/14/81/170241481.db2.gz IFEFWPUWNLISKO-JTQLQIEISA-N 0 0 234.299 2.332 10 0 BEAERN CCOC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000065006361 170243632 /nfs/dbraw/zinc/24/36/32/170243632.db2.gz JOHPEPVZQPOMCO-UHFFFAOYSA-N 0 0 219.244 2.440 10 0 BEAERN CCOC(=O)Nc1cc2nc[nH]c2c(Cl)n1 ZINC000005575175 170244023 /nfs/dbraw/zinc/24/40/23/170244023.db2.gz DJHNEOBVNHVENY-UHFFFAOYSA-N 0 0 240.650 2.180 10 0 BEAERN CCOC(=O)[C@@H](C)N(C)c1cccc(C)c1 ZINC000255186947 170247824 /nfs/dbraw/zinc/24/78/24/170247824.db2.gz AEXMSWQKIUVAPS-LLVKDONJSA-N 0 0 221.300 2.383 10 0 BEAERN CCOC(=O)[C@@H](CC(C)C)NCC(F)(F)F ZINC000037973882 170249502 /nfs/dbraw/zinc/24/95/02/170249502.db2.gz XUDJHSSJGMTCBT-MRVPVSSYSA-N 0 0 241.253 2.116 10 0 BEAERN CCOC(=O)[C@@H](N)C[C@H](C)c1ccccc1 ZINC000044339636 170253226 /nfs/dbraw/zinc/25/32/26/170253226.db2.gz CNEPLNXSKZZCMI-JQWIXIFHSA-N 0 0 221.300 2.071 10 0 BEAERN CCOC(=O)[C@@H](N)Cc1ccc(C(C)C)cc1 ZINC000061892939 170253473 /nfs/dbraw/zinc/25/34/73/170253473.db2.gz BZGNBAOOVQXGNJ-ZDUSSCGKSA-N 0 0 235.327 2.243 10 0 BEAERN CCOC(=O)[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000050975983 170256013 /nfs/dbraw/zinc/25/60/13/170256013.db2.gz HRZRIWVIWPJODA-LBPRGKRZSA-N 0 0 238.283 2.070 10 0 BEAERN CCOC(=O)C1=C(O)[C@]2(C)CC[C@H]1C2(C)C ZINC000032151228 170257025 /nfs/dbraw/zinc/25/70/25/170257025.db2.gz ZYSAZWUGDXRNFJ-ZDMBXUJBSA-N 0 0 224.300 2.191 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1cccc(Cl)c1 ZINC000037459895 170260885 /nfs/dbraw/zinc/26/08/85/170260885.db2.gz AGXIGEHOKQCRAA-NSHDSACASA-N 0 0 227.691 2.077 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1cc(C)ccc1C ZINC000037459866 170262032 /nfs/dbraw/zinc/26/20/32/170262032.db2.gz YTUAQSQGRZPKTN-ZDUSSCGKSA-N 0 0 221.300 2.040 10 0 BEAERN CCOC(=O)[C@@]1(NC)C[C@@H](C)CC(C)(C)C1 ZINC000037458723 170263074 /nfs/dbraw/zinc/26/30/74/170263074.db2.gz IJWLBVPLEGTGIT-GXFFZTMASA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)[C@H](CC)Oc1cccc(C=O)c1 ZINC000084103697 170272639 /nfs/dbraw/zinc/27/26/39/170272639.db2.gz AQRPXMKEQROBLI-LBPRGKRZSA-N 0 0 236.267 2.220 10 0 BEAERN CCOC(=O)[C@H](N)Cc1ccc(C(C)C)cc1 ZINC000061892938 170275177 /nfs/dbraw/zinc/27/51/77/170275177.db2.gz BZGNBAOOVQXGNJ-CYBMUJFWSA-N 0 0 235.327 2.243 10 0 BEAERN CCOC(=O)[C@H](N)C[C@H](C)c1ccccc1 ZINC000044339632 170275367 /nfs/dbraw/zinc/27/53/67/170275367.db2.gz CNEPLNXSKZZCMI-CMPLNLGQSA-N 0 0 221.300 2.071 10 0 BEAERN CCOC(=O)[C@H](N)Cc1ccc2ccccc2c1 ZINC000033631676 170275459 /nfs/dbraw/zinc/27/54/59/170275459.db2.gz WMWUVPBDJARXRB-CQSZACIVSA-N 0 0 243.306 2.273 10 0 BEAERN CCOC(=O)[C@H](N)c1ccc(C(C)C)cc1 ZINC000037459959 170276665 /nfs/dbraw/zinc/27/66/65/170276665.db2.gz IMBIVPQNOXBHQN-GFCCVEGCSA-N 0 0 221.300 2.373 10 0 BEAERN CCOC(=O)[C@H](NCC1CC1)[C@@H]1CC=CCC1 ZINC000037968317 170277144 /nfs/dbraw/zinc/27/71/44/170277144.db2.gz DDWQOXRUNRCJID-CHWSQXEVSA-N 0 0 237.343 2.274 10 0 BEAERN CCOC(=O)[C@H](O)c1ccc(OC(C)C)cc1 ZINC000050975981 170278013 /nfs/dbraw/zinc/27/80/13/170278013.db2.gz HRZRIWVIWPJODA-GFCCVEGCSA-N 0 0 238.283 2.070 10 0 BEAERN CCOC(=O)c1[nH]c(C(C)=O)c(C)c1C ZINC000196455598 170286602 /nfs/dbraw/zinc/28/66/02/170286602.db2.gz MLKFRHOUTFCYHN-UHFFFAOYSA-N 0 0 209.245 2.011 10 0 BEAERN CCOC(=O)c1[nH]c2ccc(F)cc2c1OC ZINC000038977039 170286747 /nfs/dbraw/zinc/28/67/47/170286747.db2.gz UBBGQICUUIVAGB-UHFFFAOYSA-N 0 0 237.230 2.492 10 0 BEAERN CCOC(=O)c1c(C)nc(C)cc1CC ZINC000021989910 170288243 /nfs/dbraw/zinc/28/82/43/170288243.db2.gz FUDCGXXRFRGTGB-UHFFFAOYSA-N 0 0 207.273 2.438 10 0 BEAERN CCOC(=O)c1c(F)cncc1Cl ZINC000047203100 170289116 /nfs/dbraw/zinc/28/91/16/170289116.db2.gz UAGQHFGWCDNUPD-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1cc(C(C)=O)c(Cl)nc1C ZINC000090464263 170291727 /nfs/dbraw/zinc/29/17/27/170291727.db2.gz ARQJBLCZPBLFHA-UHFFFAOYSA-N 0 0 241.674 2.423 10 0 BEAERN CCOC(=O)c1cc2c(cccc2O)o1 ZINC000096347134 170292993 /nfs/dbraw/zinc/29/29/93/170292993.db2.gz SPWIULPBTBGHEJ-UHFFFAOYSA-N 0 0 206.197 2.315 10 0 BEAERN CCOC(=O)c1cc(O)c2c(N)cccc2c1 ZINC000095937675 170293396 /nfs/dbraw/zinc/29/33/96/170293396.db2.gz RAEHIQMXXISWHY-UHFFFAOYSA-N 0 0 231.251 2.304 10 0 BEAERN CCOC(=O)c1ccc(-c2ccco2)[nH]1 ZINC000053994542 170294745 /nfs/dbraw/zinc/29/47/45/170294745.db2.gz WVGYDOLPZRLJTP-UHFFFAOYSA-N 0 0 205.213 2.451 10 0 BEAERN CCOC(=O)c1ccc(N[C@H]2C[C@@H]2CC)nc1 ZINC000227014016 170297258 /nfs/dbraw/zinc/29/72/58/170297258.db2.gz YTIRNYSGVLGUIS-ONGXEEELSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1ccc(SC)c(N)c1 ZINC000041046234 170297875 /nfs/dbraw/zinc/29/78/75/170297875.db2.gz YFNVCRUAYGICNT-UHFFFAOYSA-N 0 0 211.286 2.167 10 0 BEAERN CCOC(=O)c1ccc([C@@H](N)C(F)(F)F)o1 ZINC000079036636 170297989 /nfs/dbraw/zinc/29/79/89/170297989.db2.gz GHTHTECXLLWAKQ-SSDOTTSWSA-N 0 0 237.177 2.018 10 0 BEAERN CCOC(=O)c1cccc(CNC(F)(F)F)c1 ZINC000095091730 170298677 /nfs/dbraw/zinc/29/86/77/170298677.db2.gz UVKIZMSQYNQTRX-UHFFFAOYSA-N 0 0 247.216 2.473 10 0 BEAERN CCOC(=O)c1cccc(NCc2ncc[nH]2)c1 ZINC000049714813 170298722 /nfs/dbraw/zinc/29/87/22/170298722.db2.gz LRELLSDCXJZBIS-UHFFFAOYSA-N 0 0 245.282 2.199 10 0 BEAERN CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000026783644 170298845 /nfs/dbraw/zinc/29/88/45/170298845.db2.gz SGRUTBIPXMVVNT-SKDRFNHKSA-N 0 0 247.294 2.458 10 0 BEAERN CCOC(=O)c1ccnc(F)c1Br ZINC000047203034 170300476 /nfs/dbraw/zinc/30/04/76/170300476.db2.gz GFIIAYPWRNKJRU-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ncsc1-c1cccnc1 ZINC000083239008 170308419 /nfs/dbraw/zinc/30/84/19/170308419.db2.gz PHFUGTOHEDQCPF-UHFFFAOYSA-N 0 0 234.280 2.382 10 0 BEAERN CCOC(OCC)(OCC)c1ccccn1 ZINC000253180274 170315657 /nfs/dbraw/zinc/31/56/57/170315657.db2.gz DAACENCADFMWEY-UHFFFAOYSA-N 0 0 225.288 2.301 10 0 BEAERN CCOCCC(=O)NCCC1=CCCC1 ZINC000131654138 170360081 /nfs/dbraw/zinc/36/00/81/170360081.db2.gz VYOZJWYIYWWVKQ-UHFFFAOYSA-N 0 0 211.305 2.030 10 0 BEAERN CCOCCCC(=O)Nc1ccc(F)cc1N ZINC000019254977 170366213 /nfs/dbraw/zinc/36/62/13/170366213.db2.gz UQJVBQRGGAWVSP-UHFFFAOYSA-N 0 0 240.278 2.163 10 0 BEAERN CCOCCN(CC)C(=O)N[C@@H](C)C(C)C ZINC000107825191 170392369 /nfs/dbraw/zinc/39/23/69/170392369.db2.gz DFADOICVEZXLQC-NSHDSACASA-N 0 0 230.352 2.099 10 0 BEAERN CCOCCn1cc(-c2ccccc2N)cn1 ZINC000104062343 170429153 /nfs/dbraw/zinc/42/91/53/170429153.db2.gz VAVQLHGPOWAYTC-UHFFFAOYSA-N 0 0 231.299 2.169 10 0 BEAERN CCOCOc1cccnc1Br ZINC000083756126 170429587 /nfs/dbraw/zinc/42/95/87/170429587.db2.gz AGLZAVDLPWPGMB-UHFFFAOYSA-N 0 0 232.077 2.217 10 0 BEAERN CCOCN(C(C)=O)c1cccc(C)c1 ZINC000039105646 170430124 /nfs/dbraw/zinc/43/01/24/170430124.db2.gz BXZQRVVUQIVMIX-UHFFFAOYSA-N 0 0 207.273 2.342 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(OC)cc1O ZINC000259950926 411582046 /nfs/dbraw/zinc/58/20/46/411582046.db2.gz AHFWSYLJCUOXCS-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCONC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114515495 170464242 /nfs/dbraw/zinc/46/42/42/170464242.db2.gz CEGBJWKNEQYDNE-CYBMUJFWSA-N 0 0 238.331 2.470 10 0 BEAERN CCOP(=O)(OCC)c1cccc(N)c1 ZINC000001726101 170470668 /nfs/dbraw/zinc/47/06/68/170470668.db2.gz AXAVRCDPAKQEMV-UHFFFAOYSA-N 0 0 229.216 2.160 10 0 BEAERN CCCc1nccnc1NC[C@H]1CCC[N@H+](C)C1 ZINC000663579451 411705421 /nfs/dbraw/zinc/70/54/21/411705421.db2.gz ZSBSGKCLFMBTRX-GFCCVEGCSA-N 0 0 248.374 2.183 10 0 BEAERN CCO[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041777 170497078 /nfs/dbraw/zinc/49/70/78/170497078.db2.gz PVYAXYCTRCQXCD-MNOVXSKESA-N 0 0 237.299 2.368 10 0 BEAERN CCO[C@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000128073453 170498782 /nfs/dbraw/zinc/49/87/82/170498782.db2.gz YCFMRJZWUZFTKU-SNVBAGLBSA-N 0 0 227.348 2.496 10 0 BEAERN CCCc1nccnc1NC[C@H](C)C[C@H](C)O ZINC000663651081 411714809 /nfs/dbraw/zinc/71/48/09/411714809.db2.gz OUVWIBNXPGDVDM-MNOVXSKESA-N 0 0 237.347 2.248 10 0 BEAERN CCOc1cc(C(N)=S)ccc1OC(F)F ZINC000021962692 170517798 /nfs/dbraw/zinc/51/77/98/170517798.db2.gz ZGVLNJHPIGGTBV-UHFFFAOYSA-N 0 0 247.266 2.321 10 0 BEAERN CCOc1ccc(-n2ncc(C=O)c2C)cc1 ZINC000098168911 170533961 /nfs/dbraw/zinc/53/39/61/170533961.db2.gz WUIQZDXVAKIWNE-UHFFFAOYSA-N 0 0 230.267 2.392 10 0 BEAERN CCOc1ccc(N[C@@H]2CCC[C@H]2O)cc1 ZINC000037689660 170554284 /nfs/dbraw/zinc/55/42/84/170554284.db2.gz VMYGJADNAIAXNH-CHWSQXEVSA-N 0 0 221.300 2.411 10 0 BEAERN CCOc1ccc2c(C=O)cn(C)c2c1 ZINC000059731230 170566610 /nfs/dbraw/zinc/56/66/10/170566610.db2.gz QSQAFRTXAKYGSX-UHFFFAOYSA-N 0 0 203.241 2.390 10 0 BEAERN CCCc1nccnc1NC[C@@](C)(O)CC ZINC000663519954 411697533 /nfs/dbraw/zinc/69/75/33/411697533.db2.gz FBKQTBLQQFVVEM-LBPRGKRZSA-N 0 0 223.320 2.002 10 0 BEAERN CCCc1nccnc1N(C)C[C@@H]1CCC[C@H]1O ZINC000663746295 411738114 /nfs/dbraw/zinc/73/81/14/411738114.db2.gz XOBVTTYUMMALFQ-WCQYABFASA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCCOCC1 ZINC000663773663 411744885 /nfs/dbraw/zinc/74/48/85/411744885.db2.gz NSETYAMXDBKUJU-LLVKDONJSA-N 0 0 235.331 2.410 10 0 BEAERN CCCc1nccnc1NCCOC(C)C ZINC000663797040 411748874 /nfs/dbraw/zinc/74/88/74/411748874.db2.gz MOUAKPOFYIHVIZ-UHFFFAOYSA-N 0 0 223.320 2.266 10 0 BEAERN CCCc1nccnc1NCCC[C@@H](C)O ZINC000663851795 411761379 /nfs/dbraw/zinc/76/13/79/411761379.db2.gz GCDWNFHFYIJVQA-SNVBAGLBSA-N 0 0 223.320 2.002 10 0 BEAERN CCS(=O)(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000048903105 170619272 /nfs/dbraw/zinc/61/92/72/170619272.db2.gz YBCJZFVZOATAEQ-QMMMGPOBSA-N 0 0 247.747 2.340 10 0 BEAERN Cc1ccc(NCC2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000663873016 411766279 /nfs/dbraw/zinc/76/62/79/411766279.db2.gz ULNUEQROERDQCA-GHMZBOCLSA-N 0 0 235.331 2.401 10 0 BEAERN CCCc1nccnc1N[C@@H](C)CCCO ZINC000663706962 411727918 /nfs/dbraw/zinc/72/79/18/411727918.db2.gz HFZGLZVKUYUMIG-JTQLQIEISA-N 0 0 223.320 2.002 10 0 BEAERN CC[C@@H](C)C[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000058014056 170700040 /nfs/dbraw/zinc/70/00/40/170700040.db2.gz YASCTCLJTNZLPQ-SECBINFHSA-N 0 0 236.315 2.449 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1ccnc(N)c1 ZINC000616622354 411855481 /nfs/dbraw/zinc/85/54/81/411855481.db2.gz BUZHKNHBOHRDEA-LBPRGKRZSA-N 0 0 233.315 2.127 10 0 BEAERN CC[C@@H](C)OCC(=O)NCC1(C)CCC1 ZINC000118950879 170762869 /nfs/dbraw/zinc/76/28/69/170762869.db2.gz QTBOKCWDOZBMJW-SNVBAGLBSA-N 0 0 213.321 2.108 10 0 BEAERN CC[C@@H](C)OCC(=O)Nc1ccc(C)c(N)c1 ZINC000048263964 170764987 /nfs/dbraw/zinc/76/49/87/170764987.db2.gz MUQBJOYPQOWJJB-SNVBAGLBSA-N 0 0 236.315 2.331 10 0 BEAERN CC[C@H]1CCCCN1C(=O)c1ncccc1N ZINC000132325689 411897645 /nfs/dbraw/zinc/89/76/45/411897645.db2.gz KWDCRMMAOAPIIR-JTQLQIEISA-N 0 0 233.315 2.069 10 0 BEAERN CN1c2ccccc2CC[C@H]1c1c[nH]nc1N ZINC000616671195 411899325 /nfs/dbraw/zinc/89/93/25/411899325.db2.gz SACKPJSQFXVYBA-LBPRGKRZSA-N 0 0 228.299 2.116 10 0 BEAERN Cc1cccc(C(=O)NCC[C@@H]2CCCO2)c1 ZINC000071853241 411915850 /nfs/dbraw/zinc/91/58/50/411915850.db2.gz IVCAWGBLYBQKSI-ZDUSSCGKSA-N 0 0 233.311 2.294 10 0 BEAERN CC(C)c1nccnc1N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000664347554 411928397 /nfs/dbraw/zinc/92/83/97/411928397.db2.gz GXQBQYKKRQUJGE-QWRGUYRKSA-N 0 0 249.358 2.053 10 0 BEAERN Cc1ccc(Nc2cn(C)nc2N)cc1 ZINC000536950713 411977009 /nfs/dbraw/zinc/97/70/09/411977009.db2.gz RTCZGPGQNDIRPY-UHFFFAOYSA-N 0 0 202.261 2.054 10 0 BEAERN CC[C@@H](NC(=O)c1cc(N)cn1CC)C(C)C ZINC000042584425 170883967 /nfs/dbraw/zinc/88/39/67/170883967.db2.gz MXHJGQRFPMTIIR-LLVKDONJSA-N 0 0 237.347 2.255 10 0 BEAERN Nc1n[nH]cc1[C@@H]1CCc2ccccc2N1 ZINC000616666464 411985398 /nfs/dbraw/zinc/98/53/98/411985398.db2.gz LTCVDBZIJAANMA-NSHDSACASA-N 0 0 214.272 2.091 10 0 BEAERN OCC1CC(Nc2nccc3sccc32)C1 ZINC000664646879 412006712 /nfs/dbraw/zinc/00/67/12/412006712.db2.gz XZJUHHVQKDXMOO-UHFFFAOYSA-N 0 0 234.324 2.479 10 0 BEAERN CC[C@@H](Nc1ncnc2nc[nH]c21)C(C)C ZINC000042591083 170918177 /nfs/dbraw/zinc/91/81/77/170918177.db2.gz DAZNNBDNQYLYLL-MRVPVSSYSA-N 0 0 219.292 2.199 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000130803763 171006476 /nfs/dbraw/zinc/00/64/76/171006476.db2.gz JTRLMLILBAVQPT-VXGBXAGGSA-N 0 0 232.327 2.444 10 0 BEAERN CC[C@@H]1CC[C@@H](O)[C@H](OCC2CCOCC2)C1 ZINC000052156497 171042304 /nfs/dbraw/zinc/04/23/04/171042304.db2.gz BTZIXNUMTQNWOH-MRVWCRGKSA-N 0 0 242.359 2.369 10 0 BEAERN CC[C@@H]1CNc2nc(Br)ccc2O1 ZINC000077011725 171102972 /nfs/dbraw/zinc/10/29/72/171102972.db2.gz WKQMPXTZSPETDA-ZCFIWIBFSA-N 0 0 243.104 2.427 10 0 BEAERN CC[C@@H]1CSC(NCc2ccc(C)nc2)=[NH+]1 ZINC000062057078 171113284 /nfs/dbraw/zinc/11/32/84/171113284.db2.gz OVBSBWOCGOGLMY-LLVKDONJSA-N 0 0 235.356 2.361 10 0 BEAERN CC[C@@H]1COc2cc3ccccc3c(=O)n21 ZINC000073219191 171114626 /nfs/dbraw/zinc/11/46/26/171114626.db2.gz MXFNHLWPJAJTMG-SNVBAGLBSA-N 0 0 215.252 2.345 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nc(C)nc(C)c1F ZINC000309093581 171124489 /nfs/dbraw/zinc/12/44/89/171124489.db2.gz DASPYKQKXYPVHW-BDAKNGLRSA-N 0 0 209.268 2.443 10 0 BEAERN CC[C@@H]1SC(Nc2ccc(O)cc2)=NC1=O ZINC000011638038 171154249 /nfs/dbraw/zinc/15/42/49/171154249.db2.gz WKOPBCAECANQIW-VIFPVBQESA-N 0 0 236.296 2.212 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(CC(C)(C)C)n1 ZINC000041052983 171172490 /nfs/dbraw/zinc/17/24/90/171172490.db2.gz NLICRPCCXVGBCC-LLVKDONJSA-N 0 0 211.309 2.242 10 0 BEAERN CC[C@@]1(/C=C/c2ccco2)COC(=O)N1 ZINC000039101207 171194929 /nfs/dbraw/zinc/19/49/29/171194929.db2.gz LAMZKQIFGILXDS-MVIFTORASA-N 0 0 207.229 2.181 10 0 BEAERN CC[C@H](C(=O)[O-])N1CCC[C@H]1c1nccs1 ZINC000365058100 171236953 /nfs/dbraw/zinc/23/69/53/171236953.db2.gz GTRMBWMZIPKNER-BDAKNGLRSA-N 0 0 240.328 2.143 10 0 BEAERN CC[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000041217227 171241470 /nfs/dbraw/zinc/24/14/70/171241470.db2.gz OHFZQEQPYSVMGU-NSHDSACASA-N 0 0 208.257 2.362 10 0 BEAERN CC[C@H](C(=O)OC)c1ccc2c(c1)OCCO2 ZINC000041269113 171241759 /nfs/dbraw/zinc/24/17/59/171241759.db2.gz DOVPOXGGMJGXLC-JTQLQIEISA-N 0 0 236.267 2.124 10 0 BEAERN CC[C@H](C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105859114 171248451 /nfs/dbraw/zinc/24/84/51/171248451.db2.gz FCOYPYCFJQVQOB-QWHCGFSZSA-N 0 0 249.358 2.401 10 0 BEAERN CC[C@H](C)C(=O)N[C@H](C)c1cccc(N)c1 ZINC000037177714 171253965 /nfs/dbraw/zinc/25/39/65/171253965.db2.gz NRONVVZPOXWCPP-VHSXEESVSA-N 0 0 220.316 2.492 10 0 BEAERN CC[C@H](C)CN(C)c1ncnc(Cl)c1N ZINC000062362625 171275771 /nfs/dbraw/zinc/27/57/71/171275771.db2.gz IBSLQTAYXOUMER-ZETCQYMHSA-N 0 0 228.727 2.195 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(N)ccc1F ZINC000054466153 171284314 /nfs/dbraw/zinc/28/43/14/171284314.db2.gz DSHXALANDKUONC-QMMMGPOBSA-N 0 0 224.279 2.184 10 0 BEAERN CC[C@H](C)Cn1nnnc1-c1cc(N)ccc1F ZINC000054490814 171301475 /nfs/dbraw/zinc/30/14/75/171301475.db2.gz ZNGPOWKDOKRSMY-QMMMGPOBSA-N 0 0 249.293 2.108 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1nc(N)ccc1Cl ZINC000050700965 171305193 /nfs/dbraw/zinc/30/51/93/171305193.db2.gz BYMPEXVIDAGVLK-ZETCQYMHSA-N 0 0 241.722 2.188 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc(N)cc1C ZINC000044748308 171305245 /nfs/dbraw/zinc/30/52/45/171305245.db2.gz RJXOXGSHKVJZPG-JTQLQIEISA-N 0 0 220.316 2.448 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc(N)c(F)c1 ZINC000054405399 171305316 /nfs/dbraw/zinc/30/53/16/171305316.db2.gz OYLZTMZWHYYGCX-QMMMGPOBSA-N 0 0 224.279 2.278 10 0 BEAERN CC[C@H](C)[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000037930854 171309415 /nfs/dbraw/zinc/30/94/15/171309415.db2.gz YFQMIMYHGJUVAI-QMMMGPOBSA-N 0 0 222.288 2.202 10 0 BEAERN CC[C@H](C)N(C)c1ccc2c(c1)NC(=O)C2=O ZINC000036193262 171309477 /nfs/dbraw/zinc/30/94/77/171309477.db2.gz PUWBQYMZVMLILW-QMMMGPOBSA-N 0 0 232.283 2.056 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000038066527 171347501 /nfs/dbraw/zinc/34/75/01/171347501.db2.gz QNUCCWIWKRMREI-CPCISQLKSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(C)c(C)c1 ZINC000038065749 171348775 /nfs/dbraw/zinc/34/87/75/171348775.db2.gz KQGQOBDJDQWFCS-WFASDCNBSA-N 0 0 248.370 2.392 10 0 BEAERN CC[C@H](C)Nc1cc(C(N)=O)cc(F)c1C ZINC000037120205 171349922 /nfs/dbraw/zinc/34/99/22/171349922.db2.gz RBEZJUXRJRLSSJ-ZETCQYMHSA-N 0 0 224.279 2.443 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1cnn2c1CCCC2 ZINC000126430666 171364023 /nfs/dbraw/zinc/36/40/23/171364023.db2.gz OAHIAGMRCWTTLX-WDEREUQCSA-N 0 0 249.358 2.384 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1sccc1N ZINC000042551154 171364415 /nfs/dbraw/zinc/36/44/15/171364415.db2.gz VRHJERROZAXPBK-JGVFFNPUSA-N 0 0 226.345 2.495 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H](C)CC(C)C ZINC000037807306 171369961 /nfs/dbraw/zinc/36/99/61/171369961.db2.gz ZAPSZWBQNQPBHC-SDDRHHMPSA-N 0 0 228.380 2.253 10 0 BEAERN CC[C@H](C)[C@H](C)Nc1nccnc1N(C)C ZINC000302189309 171392052 /nfs/dbraw/zinc/39/20/52/171392052.db2.gz KDNKHUFKCDAEQN-UWVGGRQHSA-N 0 0 222.336 2.389 10 0 BEAERN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ncccc2N)C1 ZINC000132622759 412141474 /nfs/dbraw/zinc/14/14/74/412141474.db2.gz WFZCIVKBESRHGM-GHMZBOCLSA-N 0 0 247.342 2.315 10 0 BEAERN CC[C@H](C)[S@](=O)Cc1cc(F)ccc1N ZINC000040964012 171408330 /nfs/dbraw/zinc/40/83/30/171408330.db2.gz YCBWIYVJFKBRAT-AYVTZFPOSA-N 0 0 229.320 2.455 10 0 BEAERN CC[C@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000049240654 171535434 /nfs/dbraw/zinc/53/54/34/171535434.db2.gz KGKZVMTVOSOJEL-LBPRGKRZSA-N 0 0 241.356 2.400 10 0 BEAERN CC[C@H](O)Cc1nc(CCc2ccccc2)no1 ZINC000104052920 171579762 /nfs/dbraw/zinc/57/97/62/171579762.db2.gz SWYGNMUVDRDNCV-LBPRGKRZSA-N 0 0 246.310 2.168 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nc(C)nc(OC)c1C ZINC000302559501 171679956 /nfs/dbraw/zinc/67/99/56/171679956.db2.gz MLPWBZXKAYXVKK-VHSXEESVSA-N 0 0 221.304 2.312 10 0 BEAERN CC[C@](C)(CCO)NC(=O)[C@H]1CCC[C@H]1C ZINC000300395501 171690870 /nfs/dbraw/zinc/69/08/70/171690870.db2.gz CKLUYKBKBYFSIU-NTZNESFSSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)(C)[C@@H]1CCN(C(=O)c2ncccc2N)C1 ZINC000132874611 412337632 /nfs/dbraw/zinc/33/76/32/412337632.db2.gz GOUXWLXBFKZSBZ-SNVBAGLBSA-N 0 0 247.342 2.172 10 0 BEAERN CC[S@](=O)Cc1ccc(N)cc1Cl ZINC000049964461 171730925 /nfs/dbraw/zinc/73/09/25/171730925.db2.gz VIHWEMSHOOVQPL-CYBMUJFWSA-N 0 0 217.721 2.191 10 0 BEAERN CCc1c(C)nc(Cc2ccccc2F)[nH]c1=O ZINC000049671303 171740982 /nfs/dbraw/zinc/74/09/82/171740982.db2.gz IQDGDTDULYTVAT-UHFFFAOYSA-N 0 0 246.285 2.371 10 0 BEAERN CCc1c(Cl)ncnc1N[C@@H]1CCO[C@H]1C ZINC000134584392 171744489 /nfs/dbraw/zinc/74/44/89/171744489.db2.gz MUZOEDMMLABKSS-IONNQARKSA-N 0 0 241.722 2.282 10 0 BEAERN CCc1c(O)nc(-c2ccccc2)sc1=O ZINC000169592532 171744682 /nfs/dbraw/zinc/74/46/82/171744682.db2.gz QVUJNTUNFHKOPC-UHFFFAOYSA-N 0 0 233.292 2.438 10 0 BEAERN CCc1cc(C)c(C(=O)NCC[C@@H](O)CC)o1 ZINC000121229013 171756782 /nfs/dbraw/zinc/75/67/82/171756782.db2.gz OVRZVHVJWVRLHO-JTQLQIEISA-N 0 0 239.315 2.041 10 0 BEAERN CCc1ccc(C(=O)CO[C@@H]2CCOC2)cc1 ZINC000104123399 171783461 /nfs/dbraw/zinc/78/34/61/171783461.db2.gz XJZKPCPCDJFQIJ-CYBMUJFWSA-N 0 0 234.295 2.237 10 0 BEAERN CCc1ccc(Cn2cc(N)cn2)cc1 ZINC000049961482 171816072 /nfs/dbraw/zinc/81/60/72/171816072.db2.gz POQXIFBQNURGKS-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN CCc1ccc(NC(=O)c2ccncc2)cc1N ZINC000020344216 171820316 /nfs/dbraw/zinc/82/03/16/171820316.db2.gz XGOKIIIEDXVTQV-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CCc1cccc2c(CC(=O)OC)c[nH]c21 ZINC000109374711 171867648 /nfs/dbraw/zinc/86/76/48/171867648.db2.gz LNPMANDEOBHQRQ-UHFFFAOYSA-N 0 0 217.268 2.446 10 0 BEAERN CCc1nc(CNC(=O)N[C@H](C)CC)cs1 ZINC000107754942 171982432 /nfs/dbraw/zinc/98/24/32/171982432.db2.gz BNRMGFDJOPJRPX-MRVPVSSYSA-N 0 0 241.360 2.303 10 0 BEAERN CCc1nc([C@@H](N)c2cc(C)sc2C)no1 ZINC000049687981 172003879 /nfs/dbraw/zinc/00/38/79/172003879.db2.gz SQFYLQGHGKKMLU-JTQLQIEISA-N 0 0 237.328 2.358 10 0 BEAERN CCc1nc([C@@H](N)c2cc(C)cc(C)c2)no1 ZINC000049808750 172003896 /nfs/dbraw/zinc/00/38/96/172003896.db2.gz MVGHAHVFUSCFEH-LBPRGKRZSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1nc([C@@H](N)c2ccccc2Cl)no1 ZINC000036763098 172003907 /nfs/dbraw/zinc/00/39/07/172003907.db2.gz HPDDQFASKVEEDL-JTQLQIEISA-N 0 0 237.690 2.334 10 0 BEAERN CCc1ncc(C(=O)N[C@H](C)C(C)C)s1 ZINC000065049105 172016132 /nfs/dbraw/zinc/01/61/32/172016132.db2.gz HZWOAGXTCONFHZ-MRVPVSSYSA-N 0 0 226.345 2.480 10 0 BEAERN CCc1ncc(CNc2cn[nH]c2)s1 ZINC000037924045 172019979 /nfs/dbraw/zinc/01/99/79/172019979.db2.gz MITVAHUDFHCAJS-UHFFFAOYSA-N 0 0 208.290 2.041 10 0 BEAERN CCc1ncnc(N(CC)C2CC2)c1F ZINC000301929008 172030630 /nfs/dbraw/zinc/03/06/30/172030630.db2.gz NORBSDBBIZJRAI-UHFFFAOYSA-N 0 0 209.268 2.167 10 0 BEAERN CCc1nn(C)c(Cl)c1CN(C)CC ZINC000126252047 172037635 /nfs/dbraw/zinc/03/76/35/172037635.db2.gz IZHFONKJOVKRAY-UHFFFAOYSA-N 0 0 215.728 2.088 10 0 BEAERN CCc1nn(C)cc1CNc1cccc(F)n1 ZINC000092959458 172041205 /nfs/dbraw/zinc/04/12/05/172041205.db2.gz KNSIUJWIABCZQY-UHFFFAOYSA-N 0 0 234.278 2.129 10 0 BEAERN CCc1noc(-c2cccc(C)c2N)n1 ZINC000021817858 172072153 /nfs/dbraw/zinc/07/21/53/172072153.db2.gz GFVGRXRSMAWUCM-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1noc(-c2ccc(F)c(N)c2)n1 ZINC000037475097 172072733 /nfs/dbraw/zinc/07/27/33/172072733.db2.gz GZUAVALWEJVHAE-UHFFFAOYSA-N 0 0 207.208 2.020 10 0 BEAERN CCc1noc(N)c1-c1ccccc1OC ZINC000026512389 172087054 /nfs/dbraw/zinc/08/70/54/172087054.db2.gz ZJQQSUCBNDWIRU-UHFFFAOYSA-N 0 0 218.256 2.495 10 0 BEAERN CCc1nsc(NCCC2=CCOCC2)n1 ZINC000301826828 172105109 /nfs/dbraw/zinc/10/51/09/172105109.db2.gz PFMJGBUKNWOIEU-UHFFFAOYSA-N 0 0 239.344 2.249 10 0 BEAERN CCc1nsc(N[C@@H]2CCC[C@H](OC)C2)n1 ZINC000301798572 172106339 /nfs/dbraw/zinc/10/63/39/172106339.db2.gz VGABQVWAHMXRIZ-BDAKNGLRSA-N 0 0 241.360 2.470 10 0 BEAERN CCc1sc(Cl)nc1C(=O)OC ZINC000095643195 172129510 /nfs/dbraw/zinc/12/95/10/172129510.db2.gz INNRHBUYGJHSGL-UHFFFAOYSA-N 0 0 205.666 2.146 10 0 BEAERN CCn1c(C)c(C(=O)OC)c2cc(O)ccc21 ZINC000034976230 172134133 /nfs/dbraw/zinc/13/41/33/172134133.db2.gz YTIMTGFENRNLDS-UHFFFAOYSA-N 0 0 233.267 2.462 10 0 BEAERN CCn1c(C)nnc1-c1ccc(N)c(C)c1 ZINC000042030022 172138797 /nfs/dbraw/zinc/13/87/97/172138797.db2.gz QZJXXKVMBDHVQB-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1c(C)nnc1CN[C@H](C)c1ccc(C)o1 ZINC000182569722 172139044 /nfs/dbraw/zinc/13/90/44/172139044.db2.gz PTDYVZVKZXQBTH-SNVBAGLBSA-N 0 0 248.330 2.359 10 0 BEAERN CCn1c(C)nnc1CNc1ccccc1 ZINC000042029765 172140805 /nfs/dbraw/zinc/14/08/05/172140805.db2.gz ATLXJVAVWZTITI-UHFFFAOYSA-N 0 0 216.288 2.219 10 0 BEAERN CCn1c(C)nnc1COc1ccccc1C ZINC000180307877 172140952 /nfs/dbraw/zinc/14/09/52/172140952.db2.gz CNRGVSAPKIFYSO-UHFFFAOYSA-N 0 0 231.299 2.494 10 0 BEAERN CCn1cc(-c2ccc(N)cc2C)cn1 ZINC000043462502 172149439 /nfs/dbraw/zinc/14/94/39/172149439.db2.gz VUKJACRRZWFMBO-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1cc(C2CCN(C(=O)C(C)C)CC2)cn1 ZINC000123732311 172158723 /nfs/dbraw/zinc/15/87/23/172158723.db2.gz WVCTUIGFVBLGKY-UHFFFAOYSA-N 0 0 249.358 2.265 10 0 BEAERN CCn1cc(COc2cccc(N)c2)cn1 ZINC000050530825 172176740 /nfs/dbraw/zinc/17/67/40/172176740.db2.gz IGRIFXASUOQRAZ-UHFFFAOYSA-N 0 0 217.272 2.064 10 0 BEAERN CCn1cc(C[C@@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000050543733 172176925 /nfs/dbraw/zinc/17/69/25/172176925.db2.gz NUQKKONVJUFFIB-UKRRQHHQSA-N 0 0 242.322 2.351 10 0 BEAERN CCn1cc(N)cc1C(=O)N(CC(C)C)C1CC1 ZINC000040322195 172177609 /nfs/dbraw/zinc/17/76/09/172177609.db2.gz VZMGVOLSRCGKHF-UHFFFAOYSA-N 0 0 249.358 2.351 10 0 BEAERN CCn1cc(N)cc1C(=O)OC(C)(C)C ZINC000041046612 172177663 /nfs/dbraw/zinc/17/76/63/172177663.db2.gz RRTZPDMLNPCAHN-UHFFFAOYSA-N 0 0 210.277 2.046 10 0 BEAERN CCn1cc(NC(=O)N[C@@H](C)CC2CC2)cn1 ZINC000112713229 172181000 /nfs/dbraw/zinc/18/10/00/172181000.db2.gz RAFRTUDYEHIGBP-VIFPVBQESA-N 0 0 236.319 2.213 10 0 BEAERN CCn1cc(NCc2cccn2CC)cn1 ZINC000085608778 172185926 /nfs/dbraw/zinc/18/59/26/172185926.db2.gz SEICEEKKTHWDQB-UHFFFAOYSA-N 0 0 218.304 2.337 10 0 BEAERN CCn1ccnc(Oc2cccc(O)c2C)c1=O ZINC000061768942 172213312 /nfs/dbraw/zinc/21/33/12/172213312.db2.gz VJKYUJMMIALBQE-UHFFFAOYSA-N 0 0 246.266 2.070 10 0 BEAERN CCn1ccnc1N1CCc2c(N)cccc2C1 ZINC000050614373 172225631 /nfs/dbraw/zinc/22/56/31/172225631.db2.gz JRTZUMXLQOURMZ-UHFFFAOYSA-N 0 0 242.326 2.048 10 0 BEAERN CCn1ccnc1COc1cccc(N)c1 ZINC000054743868 172226349 /nfs/dbraw/zinc/22/63/49/172226349.db2.gz PDVWLKWBXBDSOI-UHFFFAOYSA-N 0 0 217.272 2.064 10 0 BEAERN CCn1ccnc1[C@@H](N)c1ccccc1F ZINC000011735731 172229391 /nfs/dbraw/zinc/22/93/91/172229391.db2.gz WNFTYYPTXZPMSA-NSHDSACASA-N 0 0 219.263 2.090 10 0 BEAERN CCn1ccnc1[C@H]1COc2ccccc2O1 ZINC000013805923 172230699 /nfs/dbraw/zinc/23/06/99/172230699.db2.gz BLZOWUNQHKBMTA-GFCCVEGCSA-N 0 0 230.267 2.416 10 0 BEAERN CCn1cnc(-c2ccccc2F)c1N ZINC000104900914 172230744 /nfs/dbraw/zinc/23/07/44/172230744.db2.gz ZCCGLTGUDSDBIC-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1ccnc1[C@H](NC)c1ccsc1 ZINC000041048701 172230789 /nfs/dbraw/zinc/23/07/89/172230789.db2.gz MQZZLXRQCDHMOJ-SNVBAGLBSA-N 0 0 221.329 2.273 10 0 BEAERN CCn1cnc2cc(Br)c(N)cc21 ZINC000082327990 172231784 /nfs/dbraw/zinc/23/17/84/172231784.db2.gz OYLJHIQMPIWENY-UHFFFAOYSA-N 0 0 240.104 2.401 10 0 BEAERN CCn1cnc2c1ncnc2SC(C)C ZINC000001637872 172232025 /nfs/dbraw/zinc/23/20/25/172232025.db2.gz VPRNEUZJOSJGRL-UHFFFAOYSA-N 0 0 222.317 2.347 10 0 BEAERN CCn1cnnc1-c1cc(N)cc(C)c1C ZINC000062349496 172233965 /nfs/dbraw/zinc/23/39/65/172233965.db2.gz HMFKNEFLNICEMD-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1ncc2c1nc(SC)nc2SC ZINC000098178091 172255937 /nfs/dbraw/zinc/25/59/37/172255937.db2.gz QXPUHDGSZTWGLA-UHFFFAOYSA-N 0 0 240.357 2.290 10 0 BEAERN CCn1nccc1CN[C@H]1COc2ccccc21 ZINC000119090641 172272778 /nfs/dbraw/zinc/27/27/78/172272778.db2.gz HGBWMNDIQZZQAF-ZDUSSCGKSA-N 0 0 243.310 2.126 10 0 BEAERN CCn1nccc1NC(=O)OC(C)(C)C ZINC000039093584 172276115 /nfs/dbraw/zinc/27/61/15/172276115.db2.gz KJXIUEBODJHBHD-UHFFFAOYSA-N 0 0 211.265 2.250 10 0 BEAERN CN(C(=O)C(C)(C)C)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000000141363 172295209 /nfs/dbraw/zinc/29/52/09/172295209.db2.gz QOALFBGMYNMKDM-VWYCJHECSA-N 0 0 207.317 2.456 10 0 BEAERN CN(C(=O)C1CCCC1)c1cccc(N)c1 ZINC000041021918 172299122 /nfs/dbraw/zinc/29/91/22/172299122.db2.gz RNACXWPCWRMRBQ-UHFFFAOYSA-N 0 0 218.300 2.422 10 0 BEAERN CN(C(=O)C1CCC1)c1ccccc1N ZINC000050014579 172299283 /nfs/dbraw/zinc/29/92/83/172299283.db2.gz MWGYFBBHXHMDNH-UHFFFAOYSA-N 0 0 204.273 2.032 10 0 BEAERN CN(C(=O)N1CCCc2n[nH]cc21)C1CCCC1 ZINC000289999953 172316563 /nfs/dbraw/zinc/31/65/63/172316563.db2.gz WMZMDPOXZWCWGB-UHFFFAOYSA-N 0 0 248.330 2.157 10 0 BEAERN CN(C(=O)NC(C)(C)C)c1ccccc1N ZINC000050014865 172317758 /nfs/dbraw/zinc/31/77/58/172317758.db2.gz JFSCSUDKSKISED-UHFFFAOYSA-N 0 0 221.304 2.213 10 0 BEAERN CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCOC1 ZINC000106841687 172338038 /nfs/dbraw/zinc/33/80/38/172338038.db2.gz CPZLWXDOKDQRPY-LLVKDONJSA-N 0 0 244.294 2.029 10 0 BEAERN CN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000020211102 172340201 /nfs/dbraw/zinc/34/02/01/172340201.db2.gz IKWXIIYDUSJPEN-UHFFFAOYSA-N 0 0 243.262 2.374 10 0 BEAERN CN(C(=O)c1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000010328811 172342775 /nfs/dbraw/zinc/34/27/75/172342775.db2.gz JQOZSLMREYIJDE-STQMWFEESA-N 0 0 233.311 2.062 10 0 BEAERN CN(C(=O)c1ccoc1)c1ccccc1N ZINC000050014618 172344897 /nfs/dbraw/zinc/34/48/97/172344897.db2.gz JBXPNQBKUZPDMC-UHFFFAOYSA-N 0 0 216.240 2.138 10 0 BEAERN CN(C)C(=O)CCNc1ccc(Cl)cc1 ZINC000037897846 172361934 /nfs/dbraw/zinc/36/19/34/172361934.db2.gz IXVUCKIRNPAGIV-UHFFFAOYSA-N 0 0 226.707 2.230 10 0 BEAERN CN(C)C(=O)CCn1c2ccccc2[nH]c1=S ZINC000045005379 172361951 /nfs/dbraw/zinc/36/19/51/172361951.db2.gz VMMNRSFAIPZIDD-UHFFFAOYSA-N 0 0 249.339 2.177 10 0 BEAERN CN(C)C(=O)CSc1ccc(Cl)cc1N ZINC000019815521 172374136 /nfs/dbraw/zinc/37/41/36/172374136.db2.gz GUJQOCUCJQNCDO-UHFFFAOYSA-N 0 0 244.747 2.103 10 0 BEAERN CN(C)C(=O)NCc1ccccc1OC1CCC1 ZINC000118364356 172381339 /nfs/dbraw/zinc/38/13/39/172381339.db2.gz OTRUHKYCBCOBFG-UHFFFAOYSA-N 0 0 248.326 2.389 10 0 BEAERN CN(C)C(=O)c1cc(F)cc(OC2CC2)c1 ZINC000095723855 172389115 /nfs/dbraw/zinc/38/91/15/172389115.db2.gz PWIDSQCXZAFMOY-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)C(=O)c1ccc(C(C)(C)C)c(O)c1 ZINC000095711497 172389597 /nfs/dbraw/zinc/38/95/97/172389597.db2.gz YDZMUKCFYDJHPA-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1ccc(NCc2ccc[nH]2)cc1 ZINC000051788411 172390033 /nfs/dbraw/zinc/39/00/33/172390033.db2.gz LFMDICGNLCKDHG-UHFFFAOYSA-N 0 0 243.310 2.329 10 0 BEAERN C[NH+](C)CCCOc1ccccc1/C=C/C(=O)[O-] ZINC000011802339 172444668 /nfs/dbraw/zinc/44/46/68/172444668.db2.gz USRVMZALKHIXGF-CMDGGOBGSA-N 0 0 249.310 2.115 10 0 BEAERN CN(C)c1nccc(Cl)c1OC1CC1 ZINC000095720021 172583338 /nfs/dbraw/zinc/58/33/38/172583338.db2.gz GHNWCJZGIVBSQU-UHFFFAOYSA-N 0 0 212.680 2.342 10 0 BEAERN CN(CC1CC1)C(=O)c1ccc(Cl)cc1N ZINC000037924791 172650394 /nfs/dbraw/zinc/65/03/94/172650394.db2.gz CEECNKSAFICBTA-UHFFFAOYSA-N 0 0 238.718 2.404 10 0 BEAERN CN(CC1CCCCC1)c1ncc(N)cn1 ZINC000042492169 172662420 /nfs/dbraw/zinc/66/24/20/172662420.db2.gz BDRZXNWCDLUJMA-UHFFFAOYSA-N 0 0 220.320 2.075 10 0 BEAERN C[N@H+](Cc1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000049626382 172845516 /nfs/dbraw/zinc/84/55/16/172845516.db2.gz NGMZQLKXMQZXCE-RMKNXTFCSA-N 0 0 231.295 2.379 10 0 BEAERN CN(Cc1ccoc1)c1cccc(N)c1 ZINC000042448089 172905376 /nfs/dbraw/zinc/90/53/76/172905376.db2.gz GABLEMYDGSHCSV-UHFFFAOYSA-N 0 0 202.257 2.498 10 0 BEAERN C[N@@H+]1CCC[C@H](CNc2cccc(C(=O)[O-])c2)C1 ZINC000054240611 173040604 /nfs/dbraw/zinc/04/06/04/173040604.db2.gz LIHXYCIRDPKQDK-LLVKDONJSA-N 0 0 248.326 2.139 10 0 BEAERN CN1CCN(C(=N)c2cc3ccccc3o2)CC1 ZINC000062995667 173065224 /nfs/dbraw/zinc/06/52/24/173065224.db2.gz OSYYERAFRCNYAR-UHFFFAOYSA-N 0 0 243.310 2.006 10 0 BEAERN CN1CCO[C@@H](c2cccc3[nH]ccc32)C1 ZINC000039407474 173102080 /nfs/dbraw/zinc/10/20/80/173102080.db2.gz RDGILZNSARRJLX-CYBMUJFWSA-N 0 0 216.284 2.171 10 0 BEAERN C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000026143652 173128559 /nfs/dbraw/zinc/12/85/59/173128559.db2.gz MVNHJEXPDKVMJY-AAEUAGOBSA-N 0 0 239.746 2.368 10 0 BEAERN CN1CCc2sc(Br)cc2C1 ZINC000082326491 173177285 /nfs/dbraw/zinc/17/72/85/173177285.db2.gz HTQYCHBGBWFLEY-UHFFFAOYSA-N 0 0 232.146 2.499 10 0 BEAERN CN1Cc2sc3ccc(N)cc3c2C1 ZINC000082380132 173200929 /nfs/dbraw/zinc/20/09/29/173200929.db2.gz JAFPPSFXRVCIBP-UHFFFAOYSA-N 0 0 204.298 2.429 10 0 BEAERN CNC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000287005732 173284761 /nfs/dbraw/zinc/28/47/61/173284761.db2.gz FNRLSERVVBAGJF-SECBINFHSA-N 0 0 224.329 2.470 10 0 BEAERN CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000177675766 173291664 /nfs/dbraw/zinc/29/16/64/173291664.db2.gz LJOFKBQJOIFRLG-SNVBAGLBSA-N 0 0 234.299 2.218 10 0 BEAERN CNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182412674 173291736 /nfs/dbraw/zinc/29/17/36/173291736.db2.gz ZDTNEDRFFKYFON-CABZTGNLSA-N 0 0 218.300 2.157 10 0 BEAERN CNC(=O)Nc1ccc(NC(C)C)cc1 ZINC000037135679 173293156 /nfs/dbraw/zinc/29/31/56/173293156.db2.gz IZQUIXKLBGBSRP-UHFFFAOYSA-N 0 0 207.277 2.258 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccccc1C(F)(F)F ZINC000020359074 173295521 /nfs/dbraw/zinc/29/55/21/173295521.db2.gz DJPJPVIYIVCNSJ-SSDOTTSWSA-N 0 0 246.232 2.252 10 0 BEAERN CNC(=O)c1c(O)cccc1C(C)(C)C ZINC000095712050 173309105 /nfs/dbraw/zinc/30/91/05/173309105.db2.gz USPZHGBJPUIKNE-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1c(N)sc2c1[C@H](C)CCC2 ZINC000104319854 173309334 /nfs/dbraw/zinc/30/93/34/173309334.db2.gz SJDANXRXIIIPDX-ZCFIWIBFSA-N 0 0 224.329 2.130 10 0 BEAERN CNC(=O)c1cc(NCCC2CCCC2)ccn1 ZINC000037741462 173309725 /nfs/dbraw/zinc/30/97/25/173309725.db2.gz BZFJXTCMFGXYRB-UHFFFAOYSA-N 0 0 247.342 2.433 10 0 BEAERN CNC(=O)c1cc(NCc2ccsc2)ccn1 ZINC000063153177 173309928 /nfs/dbraw/zinc/30/99/28/173309928.db2.gz SAWHZZOBYLRNCH-UHFFFAOYSA-N 0 0 247.323 2.115 10 0 BEAERN CNC(=O)c1cc(N[C@H]2CCC[C@H](C)C2)ccn1 ZINC000035673699 173310043 /nfs/dbraw/zinc/31/00/43/173310043.db2.gz WWRPUCRMPONHDZ-QWRGUYRKSA-N 0 0 247.342 2.432 10 0 BEAERN CNC(=O)c1ccc(NC2CCC2)cc1 ZINC000044480923 173310859 /nfs/dbraw/zinc/31/08/59/173310859.db2.gz IWQHVMXZBXXOMY-UHFFFAOYSA-N 0 0 204.273 2.011 10 0 BEAERN CNC(=O)c1cccc(NC2CCC2)c1 ZINC000044480279 173311798 /nfs/dbraw/zinc/31/17/98/173311798.db2.gz FEPMAMGWLYWOEG-UHFFFAOYSA-N 0 0 204.273 2.011 10 0 BEAERN CNC(=O)c1cccc(N[C@H]2CCO[C@@H](C)C2)c1 ZINC000070345919 173312034 /nfs/dbraw/zinc/31/20/34/173312034.db2.gz BLNYOZTZYDXXIO-GWCFXTLKSA-N 0 0 248.326 2.026 10 0 BEAERN CNC(=O)c1cccc(N[C@H](C)C2CC2)c1 ZINC000020124653 173312040 /nfs/dbraw/zinc/31/20/40/173312040.db2.gz ZAUCIBIBRPLFKG-SECBINFHSA-N 0 0 218.300 2.257 10 0 BEAERN CNC(=O)c1cccc(OC2CC2)c1Cl ZINC000095721304 173312101 /nfs/dbraw/zinc/31/21/01/173312101.db2.gz NKGPEMLQPCBXJW-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=S)[C@@H]1CCCc2cc(C)cnc21 ZINC000169314297 173317248 /nfs/dbraw/zinc/31/72/48/173317248.db2.gz DZDFUFUHYBUNNI-SNVBAGLBSA-N 0 0 220.341 2.357 10 0 BEAERN CNCc1noc(Cc2ccc(Cl)cc2)n1 ZINC000051848726 173399534 /nfs/dbraw/zinc/39/95/34/173399534.db2.gz WXZQVULLQUDTML-UHFFFAOYSA-N 0 0 237.690 2.033 10 0 BEAERN CNc1cc(-c2ccc(OC)cc2OC)ncn1 ZINC000082552275 173471815 /nfs/dbraw/zinc/47/18/15/173471815.db2.gz LMDVUTZZWJTCOY-UHFFFAOYSA-N 0 0 245.282 2.203 10 0 BEAERN CNc1ccc(-c2ccc(OC)cc2)nn1 ZINC000050867939 173475495 /nfs/dbraw/zinc/47/54/95/173475495.db2.gz KVCSKUDRRORBQO-UHFFFAOYSA-N 0 0 215.256 2.194 10 0 BEAERN CNc1ccc(Cl)c(C(=O)N(C)C(C)C)n1 ZINC000050727707 173479096 /nfs/dbraw/zinc/47/90/96/173479096.db2.gz QHUUZWIAPWBNKO-UHFFFAOYSA-N 0 0 241.722 2.257 10 0 BEAERN CNc1snc(C)c1C(=O)N[C@@H](C)C(C)C ZINC000120739060 173490594 /nfs/dbraw/zinc/49/05/94/173490594.db2.gz DBGZEXAWJQMRQE-ZETCQYMHSA-N 0 0 241.360 2.268 10 0 BEAERN COC(=N)c1ccc(OC)c(Br)c1 ZINC000038052499 173494093 /nfs/dbraw/zinc/49/40/93/173494093.db2.gz YIAVKYNKKTZPCA-UHFFFAOYSA-N 0 0 244.088 2.429 10 0 BEAERN COC(=O)C1(Nc2ccc(F)cc2)CCC1 ZINC000052140342 173515969 /nfs/dbraw/zinc/51/59/69/173515969.db2.gz ZMIPCXVIPMAXOH-UHFFFAOYSA-N 0 0 223.247 2.333 10 0 BEAERN COC(=O)C1(Nc2cccc(C)c2)CCOCC1 ZINC000037958212 173516131 /nfs/dbraw/zinc/51/61/31/173516131.db2.gz JAQFPKJOUPBSQH-UHFFFAOYSA-N 0 0 249.310 2.129 10 0 BEAERN COC(=O)C[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000034332850 173620776 /nfs/dbraw/zinc/62/07/76/173620776.db2.gz QTZYTXLZPOPMKP-MRVPVSSYSA-N 0 0 224.231 2.208 10 0 BEAERN COC(=O)N=c1[nH]c2ccc(N)cc2s1 ZINC000019815655 173663519 /nfs/dbraw/zinc/66/35/19/173663519.db2.gz IUAAZKVKXRHUIM-UHFFFAOYSA-N 0 0 223.257 2.057 10 0 BEAERN COC(=O)[C@@H](C)C[C@@H](O)c1ccc(C)c(F)c1 ZINC000104342536 173675874 /nfs/dbraw/zinc/67/58/74/173675874.db2.gz SGEYQPJVZZGLIN-JOYOIKCWSA-N 0 0 240.274 2.367 10 0 BEAERN COC(=O)[C@@H](C)NC[C@H]1CCCc2ccccc21 ZINC000104323532 173689731 /nfs/dbraw/zinc/68/97/31/173689731.db2.gz SKCIRDFWKSZHLI-DGCLKSJQSA-N 0 0 247.338 2.258 10 0 BEAERN COC(=O)[C@@H](NC1CCCC1)c1cccc(O)c1 ZINC000037970249 173710060 /nfs/dbraw/zinc/71/00/60/173710060.db2.gz PDXUGHWLUXDQPC-ZDUSSCGKSA-N 0 0 249.310 2.139 10 0 BEAERN COC(=O)c1cc(C)cc2c1OCC=C2 ZINC000047844972 173851308 /nfs/dbraw/zinc/85/13/08/173851308.db2.gz XIJMEDIRUSKBKX-UHFFFAOYSA-N 0 0 204.225 2.187 10 0 BEAERN COC(=O)c1cc(N(C)[C@H](C)C2CC2)ccc1N ZINC000048671075 173858845 /nfs/dbraw/zinc/85/88/45/173858845.db2.gz RWCVNKGFMYNEGR-SECBINFHSA-N 0 0 248.326 2.290 10 0 BEAERN COC(=O)c1cc(F)ccc1CSC ZINC000103350098 173859224 /nfs/dbraw/zinc/85/92/24/173859224.db2.gz IONBFMVAAAJFPQ-UHFFFAOYSA-N 0 0 214.261 2.475 10 0 BEAERN COC(=O)c1ccc(-c2ccc(C)cc2)[nH]c1=O ZINC000034300594 173864500 /nfs/dbraw/zinc/86/45/00/173864500.db2.gz IUYCAJFEIYAJEX-UHFFFAOYSA-N 0 0 243.262 2.137 10 0 BEAERN COC(=O)c1cnc2nc(Cl)sc2c1 ZINC000089229408 173907955 /nfs/dbraw/zinc/90/79/55/173907955.db2.gz LPUUGHHBPBOPQH-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN COCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127949575 174041612 /nfs/dbraw/zinc/04/16/12/174041612.db2.gz SMHKMLIZNOOOQR-NSHDSACASA-N 0 0 237.299 2.288 10 0 BEAERN COCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000022150333 174056635 /nfs/dbraw/zinc/05/66/35/174056635.db2.gz WWQGVFLSQBXEGN-UHFFFAOYSA-N 0 0 249.097 2.161 10 0 BEAERN COCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123431069 174057272 /nfs/dbraw/zinc/05/72/72/174057272.db2.gz CMOCPDCWPKVBID-AWEZNQCLSA-N 0 0 247.338 2.463 10 0 BEAERN COCCC(=O)NC1CCC(C)(C)CC1 ZINC000128130217 174128387 /nfs/dbraw/zinc/12/83/87/174128387.db2.gz QVGVVYBLUQDNHK-UHFFFAOYSA-N 0 0 213.321 2.108 10 0 BEAERN COCCC1(C(=O)Nc2ccccc2OC)CC1 ZINC000120060395 174151742 /nfs/dbraw/zinc/15/17/42/174151742.db2.gz LOWKAQPFCCJADW-UHFFFAOYSA-N 0 0 249.310 2.450 10 0 BEAERN COCCCC(=O)Nc1cc(Cl)ccc1N ZINC000022219619 174169039 /nfs/dbraw/zinc/16/90/39/174169039.db2.gz UBLCXLKVVFMUAY-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN COCCCCCSCC(=O)NC(C)(C)C ZINC000116910891 174186101 /nfs/dbraw/zinc/18/61/01/174186101.db2.gz LOJWQVBVBUOSBT-UHFFFAOYSA-N 0 0 247.404 2.451 10 0 BEAERN COCCCN(C)c1ccc([C@H](C)O)cc1F ZINC000062032412 174220259 /nfs/dbraw/zinc/22/02/59/174220259.db2.gz GFOFBEOHKMIXPI-JTQLQIEISA-N 0 0 241.306 2.352 10 0 BEAERN COCCCNc1ccc(OC)cc1OC ZINC000037753643 174251929 /nfs/dbraw/zinc/25/19/29/174251929.db2.gz YQTNMOWTAZPNKN-UHFFFAOYSA-N 0 0 225.288 2.152 10 0 BEAERN COCCCOCC(=O)c1c(F)cccc1F ZINC000037747535 174254021 /nfs/dbraw/zinc/25/40/21/174254021.db2.gz AIOGXMBBJAEJLH-UHFFFAOYSA-N 0 0 244.237 2.201 10 0 BEAERN COCCCOCc1ccc(N)c2cccnc12 ZINC000037746953 174255057 /nfs/dbraw/zinc/25/50/57/174255057.db2.gz KYXIFHAFWXYHKP-UHFFFAOYSA-N 0 0 246.310 2.370 10 0 BEAERN COCCNCC(=O)c1ccc(C(C)C)cc1 ZINC000041611932 174332932 /nfs/dbraw/zinc/33/29/32/174332932.db2.gz DFDQJYPYUHFDDD-UHFFFAOYSA-N 0 0 235.327 2.229 10 0 BEAERN COCCOc1ccc(C)cc1C(C)=O ZINC000035189063 174367504 /nfs/dbraw/zinc/36/75/04/174367504.db2.gz CTNIQBUKNHLMMJ-UHFFFAOYSA-N 0 0 208.257 2.223 10 0 BEAERN COCCOc1cc2nc(C)sc2cc1N ZINC000035342859 174367627 /nfs/dbraw/zinc/36/76/27/174367627.db2.gz IZDSCTAIKZAQII-UHFFFAOYSA-N 0 0 238.312 2.212 10 0 BEAERN COCCOc1nc2ccccc2cc1C=O ZINC000040177254 174371075 /nfs/dbraw/zinc/37/10/75/174371075.db2.gz YWOOKQYYDMAKOD-UHFFFAOYSA-N 0 0 231.251 2.073 10 0 BEAERN COCCSc1c(N)ccc(F)c1F ZINC000053168510 174376835 /nfs/dbraw/zinc/37/68/35/174376835.db2.gz ZIDRFDNGBBKTBO-UHFFFAOYSA-N 0 0 219.256 2.286 10 0 BEAERN COCC[C@@H](C)Nc1ccnc(C2CC2)n1 ZINC000110464622 174386845 /nfs/dbraw/zinc/38/68/45/174386845.db2.gz WDDNZZXNLFIHQU-SECBINFHSA-N 0 0 221.304 2.191 10 0 BEAERN COCC[C@H](C)Nc1ccnc(C2CC2)n1 ZINC000110464620 174409229 /nfs/dbraw/zinc/40/92/29/174409229.db2.gz WDDNZZXNLFIHQU-VIFPVBQESA-N 0 0 221.304 2.191 10 0 BEAERN COCCc1noc(-c2cc(C)cc(C)c2N)n1 ZINC000062825912 174426309 /nfs/dbraw/zinc/42/63/09/174426309.db2.gz JVFRPVGSLMMJNF-UHFFFAOYSA-N 0 0 247.298 2.125 10 0 BEAERN COC[C@@H](C)C(=O)N(C)CCc1cccs1 ZINC000173334660 174434797 /nfs/dbraw/zinc/43/47/97/174434797.db2.gz MSVQEYZVRXAKAD-SNVBAGLBSA-N 0 0 241.356 2.032 10 0 BEAERN COC[C@@H](C)C(=O)NCCc1c(C)cccc1C ZINC000129609431 174436605 /nfs/dbraw/zinc/43/66/05/174436605.db2.gz PZMKHKTWUKFDKS-CYBMUJFWSA-N 0 0 249.354 2.245 10 0 BEAERN COC[C@H](C)C(=O)NC1(c2ccccc2)CCC1 ZINC000103362389 174526146 /nfs/dbraw/zinc/52/61/46/174526146.db2.gz HZIKCDKEVQABED-LBPRGKRZSA-N 0 0 247.338 2.465 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000103385322 174527215 /nfs/dbraw/zinc/52/72/15/174527215.db2.gz CTXNAOCBVBYLPE-SRVKXCTJSA-N 0 0 227.348 2.211 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000103357549 174528238 /nfs/dbraw/zinc/52/82/38/174528238.db2.gz LPJFPBHWLFMAMO-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN COCc1cc(N)c2c(F)ccc(F)c2n1 ZINC000051698456 174619562 /nfs/dbraw/zinc/61/95/62/174619562.db2.gz XXUSVDRUPFGTDK-UHFFFAOYSA-N 0 0 224.210 2.242 10 0 BEAERN COCc1cc(N)c2cccc(C)c2n1 ZINC000051698657 174620139 /nfs/dbraw/zinc/62/01/39/174620139.db2.gz JEMPQLNBWKJTRP-UHFFFAOYSA-N 0 0 202.257 2.272 10 0 BEAERN CON(C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116721052 174658415 /nfs/dbraw/zinc/65/84/15/174658415.db2.gz ZUPSMTTYQZAPOM-UHFFFAOYSA-N 0 0 236.246 2.249 10 0 BEAERN CO[C@@H]1CC[C@@H](NC(=O)N[C@H](C)CC2CC2)C1 ZINC000248808307 174762474 /nfs/dbraw/zinc/76/24/74/174762474.db2.gz WVEIMYBOFFPWPK-YUSALJHKSA-N 0 0 240.347 2.042 10 0 BEAERN CO[C@H](C)c1noc(Cc2ccc(O)cc2)n1 ZINC000093693550 174855505 /nfs/dbraw/zinc/85/55/05/174855505.db2.gz GCBJOEREHIMRCG-MRVPVSSYSA-N 0 0 234.255 2.073 10 0 BEAERN CO[C@H]1CCCC[C@H]1Nc1c(C)n[nH]c1C ZINC000037261730 174876635 /nfs/dbraw/zinc/87/66/35/174876635.db2.gz ZMOKGTPFKHCIPR-MNOVXSKESA-N 0 0 223.320 2.396 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cc(N)cc(F)c1 ZINC000050369251 174883825 /nfs/dbraw/zinc/88/38/25/174883825.db2.gz FJEIFHVASMZMTP-NEPJUHHUSA-N 0 0 224.279 2.387 10 0 BEAERN CO[S@@](=O)C12CC3CC(CC(C3)C1)C2 ZINC000040538004 174917518 /nfs/dbraw/zinc/91/75/18/174917518.db2.gz ZJCUGXGRMPBUOW-QENMRVDCSA-N 0 0 214.330 2.265 10 0 BEAERN COc1c(Cl)cc(Cl)cc1NN ZINC000082594119 174930483 /nfs/dbraw/zinc/93/04/83/174930483.db2.gz IJVOOUBJCAZFMD-UHFFFAOYSA-N 0 0 207.060 2.288 10 0 BEAERN COc1cc(-c2cc(=O)cc[nH]2)ccc1F ZINC000065355841 174937175 /nfs/dbraw/zinc/93/71/75/174937175.db2.gz RUFZIVJLLYKFCL-UHFFFAOYSA-N 0 0 219.215 2.190 10 0 BEAERN COc1cc(/C=C(\C)[N+](=O)[O-])cc2c1OCO2 ZINC000015657759 174940431 /nfs/dbraw/zinc/94/04/31/174940431.db2.gz URIZGFKLZDNSIH-XVNBXDOJSA-N 0 0 237.211 2.061 10 0 BEAERN COc1cc(C(C)=O)c(O)cc1Br ZINC000082309230 174950182 /nfs/dbraw/zinc/95/01/82/174950182.db2.gz HBINYABZSGLVPI-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN COc1cc(C)ccc1NC[C@@H]1CCOC1 ZINC000037783070 174968421 /nfs/dbraw/zinc/96/84/21/174968421.db2.gz CDKDIMSAKNSZLG-NSHDSACASA-N 0 0 221.300 2.452 10 0 BEAERN COc1cc(C)sc1C(=O)N[C@@H]1C[C@@H]1C ZINC000072788275 174974587 /nfs/dbraw/zinc/97/45/87/174974587.db2.gz SQXWMNRUCWSQMC-POYBYMJQSA-N 0 0 225.313 2.203 10 0 BEAERN COc1cc(C=O)ccc1O[C@H]1CCCOC1 ZINC000076683059 174977011 /nfs/dbraw/zinc/97/70/11/174977011.db2.gz MVYCFNAPIHOJQX-NSHDSACASA-N 0 0 236.267 2.066 10 0 BEAERN COc1cc(F)cc2c(N)cc(C)nc12 ZINC000050871014 174994151 /nfs/dbraw/zinc/99/41/51/174994151.db2.gz UOHBYANMXLPWPJ-UHFFFAOYSA-N 0 0 206.220 2.273 10 0 BEAERN COc1cc(F)ccc1NC[C@@H]1CCOC1 ZINC000049563947 174994525 /nfs/dbraw/zinc/99/45/25/174994525.db2.gz GSPYFQUAXYFXCX-VIFPVBQESA-N 0 0 225.263 2.283 10 0 BEAERN COc1cc(NCCCO)c(OC)cc1Cl ZINC000041571444 175001828 /nfs/dbraw/zinc/00/18/28/175001828.db2.gz GZSYSAXXUCTVML-UHFFFAOYSA-N 0 0 245.706 2.152 10 0 BEAERN COc1cc(NC[C@H]2CCCO2)cc(OC)c1 ZINC000020046061 175002531 /nfs/dbraw/zinc/00/25/31/175002531.db2.gz DMOASNXAORGANW-LLVKDONJSA-N 0 0 237.299 2.295 10 0 BEAERN COc1cc(NCc2ccccn2)c(N)cc1F ZINC000104133909 175003115 /nfs/dbraw/zinc/00/31/15/175003115.db2.gz KJPGTZXRLVJKKI-UHFFFAOYSA-N 0 0 247.273 2.424 10 0 BEAERN COc1cc(O)cc(C(=O)c2ccc(O)cc2)c1 ZINC000026569796 175005394 /nfs/dbraw/zinc/00/53/94/175005394.db2.gz LWVASFVCIHXYAK-UHFFFAOYSA-N 0 0 244.246 2.337 10 0 BEAERN COc1cc(OC(C)C)c(OC2CC2)cn1 ZINC000095731381 175006706 /nfs/dbraw/zinc/00/67/06/175006706.db2.gz HZBDKIULAYQSHL-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1cc(OC)c(N)c(Cl)c1C ZINC000075602113 175007425 /nfs/dbraw/zinc/00/74/25/175007425.db2.gz KFVIICNSOBVULC-UHFFFAOYSA-N 0 0 201.653 2.248 10 0 BEAERN COc1cc(OC)c2c(C)coc(=O)c2c1 ZINC000196849034 175009068 /nfs/dbraw/zinc/00/90/68/175009068.db2.gz BSLDFTWMBGRGAR-UHFFFAOYSA-N 0 0 220.224 2.119 10 0 BEAERN COc1cc(OC2CC2)c(OC(C)C)cn1 ZINC000095730802 175012372 /nfs/dbraw/zinc/01/23/72/175012372.db2.gz MXKSDYYMMZHPGL-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1cc2c(ccnc2OC)cc1F ZINC000095643115 175019831 /nfs/dbraw/zinc/01/98/31/175019831.db2.gz TUPKBXBBZLTRSV-UHFFFAOYSA-N 0 0 207.204 2.391 10 0 BEAERN COc1cc2c(cc1OC)C(=O)C[C@@H](C)N2 ZINC000071481907 175023351 /nfs/dbraw/zinc/02/33/51/175023351.db2.gz HQONJNNQULEVQJ-SSDOTTSWSA-N 0 0 221.256 2.091 10 0 BEAERN COc1cc2c(cc1OC)C(C)=N[C@@H](C)C2 ZINC000004262288 175024553 /nfs/dbraw/zinc/02/45/53/175024553.db2.gz ZOTQMAVJUAGCKD-QMMMGPOBSA-N 0 0 219.284 2.457 10 0 BEAERN COc1cc2ccncc2c(OC)c1OC ZINC000029321795 175027622 /nfs/dbraw/zinc/02/76/22/175027622.db2.gz UPLOKTSIJATUTQ-UHFFFAOYSA-N 0 0 219.240 2.261 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)c(F)c1 ZINC000065355829 175029766 /nfs/dbraw/zinc/02/97/66/175029766.db2.gz RAMLCXVNYMBCAL-UHFFFAOYSA-N 0 0 219.215 2.190 10 0 BEAERN COc1ccc(-c2ccccc2)nc1N ZINC000082730324 175035077 /nfs/dbraw/zinc/03/50/77/175035077.db2.gz ZOBPGBBBLUUKQN-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1ccc(-c2cnc([C@H](C)N)o2)c(OC)c1 ZINC000036171825 175036638 /nfs/dbraw/zinc/03/66/38/175036638.db2.gz QKBRKZRZHMDKNT-QMMMGPOBSA-N 0 0 248.282 2.379 10 0 BEAERN COc1ccc(-c2cnc([C@H](C)N)o2)cc1OC ZINC000011587078 175036725 /nfs/dbraw/zinc/03/67/25/175036725.db2.gz RCMNPIXYISSQGW-QMMMGPOBSA-N 0 0 248.282 2.379 10 0 BEAERN COc1ccc(-c2nc(C=O)c[nH]2)cc1C ZINC000074114098 175040488 /nfs/dbraw/zinc/04/04/88/175040488.db2.gz SKPMVZDFQUEBMT-UHFFFAOYSA-N 0 0 216.240 2.206 10 0 BEAERN COc1ccc(-c2nc3ncccc3o2)c(N)c1 ZINC000082549957 175041090 /nfs/dbraw/zinc/04/10/90/175041090.db2.gz NYRGYBFVVOQPSM-UHFFFAOYSA-N 0 0 241.250 2.481 10 0 BEAERN COc1ccc(-c2noc(N)c2C)cc1F ZINC000057514615 175042942 /nfs/dbraw/zinc/04/29/42/175042942.db2.gz BOGCWZOBDNAZNJ-UHFFFAOYSA-N 0 0 222.219 2.380 10 0 BEAERN COc1ccc(-n2ncc([C@H](C)O)c2C)cc1 ZINC000072415139 175044829 /nfs/dbraw/zinc/04/48/29/175044829.db2.gz HQJPKXSHAYBLLT-JTQLQIEISA-N 0 0 232.283 2.243 10 0 BEAERN COc1ccc(/C=C/[C@H](C)O)cc1OC ZINC000077301527 175047600 /nfs/dbraw/zinc/04/76/00/175047600.db2.gz CHBJKIQNRSVFBW-MOVJSRMASA-N 0 0 208.257 2.098 10 0 BEAERN COc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)c(F)c1 ZINC000336590075 175057813 /nfs/dbraw/zinc/05/78/13/175057813.db2.gz WQZLGFHQLDHYME-TVQRCGJNSA-N 0 0 249.285 2.459 10 0 BEAERN COc1ccc(C(C)=O)c(O[C@H](C)[C@@H](C)O)c1 ZINC000135374142 175068048 /nfs/dbraw/zinc/06/80/48/175068048.db2.gz QEKRGAQLOBGOLM-PSASIEDQSA-N 0 0 238.283 2.046 10 0 BEAERN COc1ccc(C)cc1-c1csc(=O)[nH]1 ZINC000034669930 175072651 /nfs/dbraw/zinc/07/26/51/175072651.db2.gz QRJZYRGTQIRJJL-UHFFFAOYSA-N 0 0 221.281 2.420 10 0 BEAERN COc1ccc(C)cc1C1(C)OCCO1 ZINC000057495282 175074162 /nfs/dbraw/zinc/07/41/62/175074162.db2.gz FJDQBQJGVRJNSM-UHFFFAOYSA-N 0 0 208.257 2.223 10 0 BEAERN COc1ccc(C)cc1[C@@H]1CCC(=O)O1 ZINC000005767808 175080190 /nfs/dbraw/zinc/08/01/90/175080190.db2.gz HOURHTBOXRDXPB-NSHDSACASA-N 0 0 206.241 2.382 10 0 BEAERN COc1ccc(C2CC([NH2+][C@@H](C)C(=O)[O-])C2)cc1 ZINC000049356490 175085073 /nfs/dbraw/zinc/08/50/73/175085073.db2.gz VEOPILWRNYLCAG-GCVQQVDUSA-N 0 0 249.310 2.004 10 0 BEAERN COc1ccc(CCO)c2ccccc12 ZINC000083230687 175092588 /nfs/dbraw/zinc/09/25/88/175092588.db2.gz TUYXPIXLLIVISG-UHFFFAOYSA-N 0 0 202.253 2.383 10 0 BEAERN COc1ccc(CN[C@@H](C)c2cc[nH]n2)cc1 ZINC000037906467 175109462 /nfs/dbraw/zinc/10/94/62/175109462.db2.gz TWARTGUVDIPXBE-JTQLQIEISA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccc(CNc2cc(C)n(C)n2)cc1O ZINC000020352829 175112717 /nfs/dbraw/zinc/11/27/17/175112717.db2.gz PPSBKCNQLXVQQJ-UHFFFAOYSA-N 0 0 247.298 2.055 10 0 BEAERN COc1ccc(C[C@@H](C)Nc2cn[nH]c2)cc1 ZINC000035763515 175115495 /nfs/dbraw/zinc/11/54/95/175115495.db2.gz KFXYLBIBUPNWRP-SNVBAGLBSA-N 0 0 231.299 2.461 10 0 BEAERN COc1ccc(Cl)c2c1NCCC2=O ZINC000082373034 175118655 /nfs/dbraw/zinc/11/86/55/175118655.db2.gz NULPGVVSFPRXLQ-UHFFFAOYSA-N 0 0 211.648 2.347 10 0 BEAERN COc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H]1C ZINC000075529201 175120782 /nfs/dbraw/zinc/12/07/82/175120782.db2.gz AJBSZTKMQBMHRS-XVKPBYJWSA-N 0 0 239.702 2.487 10 0 BEAERN COc1ccc(Cl)cc1[C@@H]1COCCN1 ZINC000041249014 175121872 /nfs/dbraw/zinc/12/18/72/175121872.db2.gz RGSHLTPYRAXOIG-JTQLQIEISA-N 0 0 227.691 2.010 10 0 BEAERN COc1ccc(F)c(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000151885919 175126031 /nfs/dbraw/zinc/12/60/31/175126031.db2.gz ZTFMGTPLKOJFFU-XVKPBYJWSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(N)c(C(=O)N2CCCC[C@H]2C)c1 ZINC000037846645 175137367 /nfs/dbraw/zinc/13/73/67/175137367.db2.gz KGFNDOGZPBTQCA-SNVBAGLBSA-N 0 0 248.326 2.292 10 0 BEAERN COc1ccc(N)cc1OCc1ccccn1 ZINC000019256811 175138390 /nfs/dbraw/zinc/13/83/90/175138390.db2.gz NWWISIYVWGMGIM-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1ccc(NC2CCC(O)CC2)cc1 ZINC000077990872 175149649 /nfs/dbraw/zinc/14/96/49/175149649.db2.gz FYGMMGICSIAEFJ-UHFFFAOYSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccc(NC2COC2)cc1Cl ZINC000076644426 175149681 /nfs/dbraw/zinc/14/96/81/175149681.db2.gz OUGFKFGMRLVOQW-UHFFFAOYSA-N 0 0 213.664 2.159 10 0 BEAERN COc1ccc(NCC(C)(C)CO)cc1F ZINC000082711398 175150987 /nfs/dbraw/zinc/15/09/87/175150987.db2.gz BYESOFGVRMBUIS-UHFFFAOYSA-N 0 0 227.279 2.265 10 0 BEAERN COc1ccc(NCc2cscn2)cc1O ZINC000040505009 175152411 /nfs/dbraw/zinc/15/24/11/175152411.db2.gz OMMBQQWZPQSPPH-UHFFFAOYSA-N 0 0 236.296 2.469 10 0 BEAERN COc1ccc(NCc2csnn2)cc1 ZINC000036901969 175152529 /nfs/dbraw/zinc/15/25/29/175152529.db2.gz IISWPRDOJBRFPM-UHFFFAOYSA-N 0 0 221.285 2.159 10 0 BEAERN COc1ccc(NCc2ccncn2)cc1 ZINC000054788692 175152655 /nfs/dbraw/zinc/15/26/55/175152655.db2.gz BCVLNRBSHAJSQH-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccc(NCc2nnc(C)n2C)cc1C ZINC000049530084 175153039 /nfs/dbraw/zinc/15/30/39/175153039.db2.gz YKLSLUXYLQHUHR-UHFFFAOYSA-N 0 0 246.314 2.053 10 0 BEAERN COc1ccc(NCc2nccn2C)cc1 ZINC000036804462 175153154 /nfs/dbraw/zinc/15/31/54/175153154.db2.gz PVPRECMYYMEZEW-UHFFFAOYSA-N 0 0 217.272 2.041 10 0 BEAERN COc1ccc(N[C@@H](C)C(=O)NC(C)C)cc1 ZINC000020304463 175153587 /nfs/dbraw/zinc/15/35/87/175153587.db2.gz KCTVBUFGSAIQIK-JTQLQIEISA-N 0 0 236.315 2.020 10 0 BEAERN COc1ccc(N[C@@](C)(C(N)=O)C(C)C)cc1 ZINC000037941417 175154530 /nfs/dbraw/zinc/15/45/30/175154530.db2.gz WWKITDYCKXHLMJ-CYBMUJFWSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@@H]2O)cc1C ZINC000049530111 175155506 /nfs/dbraw/zinc/15/55/06/175155506.db2.gz URCJFCYJOZMNQW-RYUDHWBXSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(Nc2ccc(N)c(OC)n2)cc1 ZINC000037067181 175156211 /nfs/dbraw/zinc/15/62/11/175156211.db2.gz BKAINQHXGJHVHQ-UHFFFAOYSA-N 0 0 245.282 2.425 10 0 BEAERN COc1ccc(OC)c(-c2ncccc2O)c1 ZINC000065339347 175163763 /nfs/dbraw/zinc/16/37/63/175163763.db2.gz YRRUMPDPRCAHIS-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN COc1ccc(OC)c(NC[C@@H]2CCCO2)c1 ZINC000020046509 175167059 /nfs/dbraw/zinc/16/70/59/175167059.db2.gz BGXVBXFNGYXVHB-NSHDSACASA-N 0 0 237.299 2.295 10 0 BEAERN COc1ccc(OCC2CCOCC2)c(N)c1 ZINC000052170994 175171974 /nfs/dbraw/zinc/17/19/74/175171974.db2.gz XPGYHCFPIWFCMO-UHFFFAOYSA-N 0 0 237.299 2.083 10 0 BEAERN COc1ccc(Oc2ncnc3[nH]cnc32)cc1 ZINC000016758241 175173515 /nfs/dbraw/zinc/17/35/15/175173515.db2.gz KCPNMDHKYFRCCP-UHFFFAOYSA-N 0 0 242.238 2.154 10 0 BEAERN COc1ccc(SCc2cc(=O)[nH][nH]2)cc1 ZINC000066252419 175174973 /nfs/dbraw/zinc/17/49/73/175174973.db2.gz MHQQTIGOKHTQLR-UHFFFAOYSA-N 0 0 236.296 2.416 10 0 BEAERN COc1ccc([C@@H]([NH3+])CCCC(=O)[O-])cc1C ZINC000037289360 175179255 /nfs/dbraw/zinc/17/92/55/175179255.db2.gz LZTIQKGKXWOMHT-NSHDSACASA-N 0 0 237.299 2.258 10 0 BEAERN COc1ccc([C@@H]2CCOC(=O)C2)cc1 ZINC000038363686 175183583 /nfs/dbraw/zinc/18/35/83/175183583.db2.gz UZYYDFLNSXPQTO-SNVBAGLBSA-N 0 0 206.241 2.116 10 0 BEAERN COc1ccc([C@H](C)C(=O)NC(C)C)cc1 ZINC000107532673 175187235 /nfs/dbraw/zinc/18/72/35/175187235.db2.gz ZLZYGJGFVXAQBM-JTQLQIEISA-N 0 0 221.300 2.323 10 0 BEAERN COc1ccc([C@H](C(=O)[O-])[N@H+](C)CC2CC2)cc1 ZINC000077427160 175187269 /nfs/dbraw/zinc/18/72/69/175187269.db2.gz SKYGQMKZXBJAOD-CYBMUJFWSA-N 0 0 249.310 2.163 10 0 BEAERN COc1ccc([C@H]2CCCC(=O)NC2)cc1 ZINC000090397018 175194492 /nfs/dbraw/zinc/19/44/92/175194492.db2.gz NKTPFZZYKCZWIB-NSHDSACASA-N 0 0 219.284 2.079 10 0 BEAERN COc1ccc([C@H]2CC[C@H](O)C2)c(OC)c1 ZINC000057514807 175195820 /nfs/dbraw/zinc/19/58/20/175195820.db2.gz VPHFAOJKVPGTSM-UWVGGRQHSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc2[nH]c3c(c2c1)CCC(=O)C3 ZINC000095635251 175202092 /nfs/dbraw/zinc/20/20/92/175202092.db2.gz JSMBDAPUKORDJR-UHFFFAOYSA-N 0 0 215.252 2.234 10 0 BEAERN COc1ccc2c(c1)ncnc2NC(C)C ZINC000032544389 175205914 /nfs/dbraw/zinc/20/59/14/175205914.db2.gz HSLPLBUPKFOPLU-UHFFFAOYSA-N 0 0 217.272 2.459 10 0 BEAERN COc1ccc2c(cc[nH+]c2N[C@@H](C)C(=O)[O-])c1 ZINC000082766053 175205988 /nfs/dbraw/zinc/20/59/88/175205988.db2.gz HFESCHZMXZNQDO-QMMMGPOBSA-N 0 0 246.266 2.128 10 0 BEAERN COc1ccc2c(c1)CCC[C@H]2NC(C)=O ZINC000114208076 175207695 /nfs/dbraw/zinc/20/76/95/175207695.db2.gz PUXYBNNARUNFFV-CYBMUJFWSA-N 0 0 219.284 2.209 10 0 BEAERN COc1ccc2c(c1)CC[C@H](CC(C)=O)C2=O ZINC000005601978 175209488 /nfs/dbraw/zinc/20/94/88/175209488.db2.gz CIZOOAUTMGXOPZ-LLVKDONJSA-N 0 0 232.279 2.419 10 0 BEAERN COc1ccc2c(c1)Cc1sc(N)nc1-2 ZINC000012405255 175211624 /nfs/dbraw/zinc/21/16/24/175211624.db2.gz DERLVNUHEYDIQN-UHFFFAOYSA-N 0 0 218.281 2.305 10 0 BEAERN COc1ccc2c(c1)N(C)C(=O)CC(C)=N2 ZINC000100898328 175212000 /nfs/dbraw/zinc/21/20/00/175212000.db2.gz SHMOYGROTXMBEY-UHFFFAOYSA-N 0 0 218.256 2.154 10 0 BEAERN COc1ccc2c(c1)OC(C)(C)C[C@H]2O ZINC000011568132 175212742 /nfs/dbraw/zinc/21/27/42/175212742.db2.gz BJAOFCXNFMYEPG-SNVBAGLBSA-N 0 0 208.257 2.290 10 0 BEAERN COc1ccc2c(c1)[C@H](CCNC(C)=O)CC2 ZINC000003825729 175216624 /nfs/dbraw/zinc/21/66/24/175216624.db2.gz UOVGAGSCHHZUPU-LBPRGKRZSA-N 0 0 233.311 2.251 10 0 BEAERN COc1ccc2c(c1)c(NC(C)=O)c(C)n2C ZINC000003158914 175218037 /nfs/dbraw/zinc/21/80/37/175218037.db2.gz GAZDIIRVHHAGAU-UHFFFAOYSA-N 0 0 232.283 2.454 10 0 BEAERN COc1ccc2c(c1)c(=O)c1ccoc1n2C ZINC000000265512 175218269 /nfs/dbraw/zinc/21/82/69/175218269.db2.gz XKTZVOMYVJKQTH-UHFFFAOYSA-N 0 0 229.235 2.293 10 0 BEAERN COc1ccc2c(c1)nc([C@@H](C)O)n2C1CC1 ZINC000076079583 175219816 /nfs/dbraw/zinc/21/98/16/175219816.db2.gz HGZKEYDNBFZOKK-MRVPVSSYSA-N 0 0 232.283 2.433 10 0 BEAERN COc1ccc2c(c1OC)C[C@@H](C)C2=O ZINC000021989877 175222943 /nfs/dbraw/zinc/22/29/43/175222943.db2.gz RRGLXSHXUVBPPY-SSDOTTSWSA-N 0 0 206.241 2.079 10 0 BEAERN COc1ccc2cc3n(c2c1)CCC3=O ZINC000095626989 175225354 /nfs/dbraw/zinc/22/53/54/175225354.db2.gz DHVCEIMVWQEMRK-UHFFFAOYSA-N 0 0 201.225 2.236 10 0 BEAERN COc1ccc2nc(C)sc2c1C=O ZINC000045236488 175227433 /nfs/dbraw/zinc/22/74/33/175227433.db2.gz IOTPVOZADGTDRR-UHFFFAOYSA-N 0 0 207.254 2.426 10 0 BEAERN COc1ccc2sc([C@H](C)O)nc2c1 ZINC000075852937 175232480 /nfs/dbraw/zinc/23/24/80/175232480.db2.gz ZLSQCWWZOCJWCQ-LURJTMIESA-N 0 0 209.270 2.358 10 0 BEAERN COc1cccc(-c2c[nH]c(=O)s2)c1 ZINC000072204728 175233645 /nfs/dbraw/zinc/23/36/45/175233645.db2.gz VBHRDFBUOIMSDU-UHFFFAOYSA-N 0 0 207.254 2.112 10 0 BEAERN COc1cccc(-c2cn3cccnc3n2)c1 ZINC000013005210 175235207 /nfs/dbraw/zinc/23/52/07/175235207.db2.gz DNEXHGCIKMTCOL-UHFFFAOYSA-N 0 0 225.251 2.405 10 0 BEAERN COc1cccc(C(=O)CN2C[C@H]3CC[C@@H]2C3)c1 ZINC000049716388 175242462 /nfs/dbraw/zinc/24/24/62/175242462.db2.gz QKGJHCIDQAZKAX-WCQYABFASA-N 0 0 245.322 2.362 10 0 BEAERN COc1cccc(C=O)c1OC[C@@H]1CCCO1 ZINC000033425655 175249383 /nfs/dbraw/zinc/24/93/83/175249383.db2.gz QRSHGMGLZULWOV-NSHDSACASA-N 0 0 236.267 2.066 10 0 BEAERN COc1cccc(CN2CCS[C@@H](C)C2)n1 ZINC000171828350 175259416 /nfs/dbraw/zinc/25/94/16/175259416.db2.gz XPDFMBXEMVJBKJ-JTQLQIEISA-N 0 0 238.356 2.028 10 0 BEAERN COc1cccc(CNC(=O)C2CCCCC2)n1 ZINC000128510053 175261359 /nfs/dbraw/zinc/26/13/59/175261359.db2.gz CLQWDFGMNJQOMB-UHFFFAOYSA-N 0 0 248.326 2.287 10 0 BEAERN COc1cccc(CNc2cncnc2)c1 ZINC000083348194 175268848 /nfs/dbraw/zinc/26/88/48/175268848.db2.gz LZYUQVZCVNHWCD-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1cccc(C[C@H](O)Cc2cccnc2)c1 ZINC000053787699 175272485 /nfs/dbraw/zinc/27/24/85/175272485.db2.gz TVSMFWMRVXDHJH-AWEZNQCLSA-N 0 0 243.306 2.236 10 0 BEAERN COc1cccc(F)c1C(=O)NC(C)(C)C ZINC000075908507 175274559 /nfs/dbraw/zinc/27/45/59/175274559.db2.gz XMDMUIQCOUGCCV-UHFFFAOYSA-N 0 0 225.263 2.363 10 0 BEAERN COc1cccc(NC(=S)CC(C)=O)c1 ZINC000073738884 175278012 /nfs/dbraw/zinc/27/80/12/175278012.db2.gz KGGSAUWYTRUJJM-UHFFFAOYSA-N 0 0 223.297 2.414 10 0 BEAERN COc1cccc(OC)c1OCC(C)(C)CO ZINC000041283637 175281676 /nfs/dbraw/zinc/28/16/76/175281676.db2.gz HGSHLGDFOZYFAI-UHFFFAOYSA-N 0 0 240.299 2.101 10 0 BEAERN COc1cccc(OCCCC(C)=O)c1 ZINC000037330092 175283744 /nfs/dbraw/zinc/28/37/44/175283744.db2.gz KFNFFBHTCMMQBB-UHFFFAOYSA-N 0 0 208.257 2.443 10 0 BEAERN COc1cccc(Sc2c[nH]nc2N)c1 ZINC000040999477 175285711 /nfs/dbraw/zinc/28/57/11/175285711.db2.gz KLKBRKWIVQBCPY-UHFFFAOYSA-N 0 0 221.285 2.152 10 0 BEAERN COc1cccc([C@@H]([NH2+]CC(C)C)C(=O)[O-])c1 ZINC000037965536 175289221 /nfs/dbraw/zinc/28/92/21/175289221.db2.gz GKPNFZKCKUHUCR-GFCCVEGCSA-N 0 0 237.299 2.067 10 0 BEAERN COc1cccc([C@@H]2CN(CC3CC3)CCO2)c1 ZINC000119100016 175290504 /nfs/dbraw/zinc/29/05/04/175290504.db2.gz DDSRVXRNHIARDU-HNNXBMFYSA-N 0 0 247.338 2.479 10 0 BEAERN COc1cccc([C@H](O)Cc2cccnc2)c1 ZINC000053130336 175294675 /nfs/dbraw/zinc/29/46/75/175294675.db2.gz DRFGRGVXCQDWLE-CQSZACIVSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc([C@H](N)c2ccco2)c1 ZINC000041211506 175295241 /nfs/dbraw/zinc/29/52/41/175295241.db2.gz IAKGWTDIFHJSLM-LBPRGKRZSA-N 0 0 203.241 2.336 10 0 BEAERN COc1cccc2c1CC[C@@H]2c1ncc[nH]1 ZINC000029046380 175302536 /nfs/dbraw/zinc/30/25/36/175302536.db2.gz IEVQENKCCRQYBX-NSHDSACASA-N 0 0 214.268 2.496 10 0 BEAERN COc1cccc2c1c(C(C)=O)cn2C ZINC000071492565 175305533 /nfs/dbraw/zinc/30/55/33/175305533.db2.gz ZYZZAZVYCJJSJF-UHFFFAOYSA-N 0 0 203.241 2.390 10 0 BEAERN COc1cccc2c3n[nH]c(C)c3cnc12 ZINC000067172546 175306657 /nfs/dbraw/zinc/30/66/57/175306657.db2.gz XXDMXVBLNNZQEG-UHFFFAOYSA-N 0 0 213.240 2.428 10 0 BEAERN COc1ccccc1-c1cnc(N)s1 ZINC000038068987 175310031 /nfs/dbraw/zinc/31/00/31/175310031.db2.gz BZYQDZVCLHKGDV-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccccc1-c1nc(N)nc(C(C)C)n1 ZINC000104384610 175311027 /nfs/dbraw/zinc/31/10/27/175311027.db2.gz ZMWDYSGUSRWFGP-UHFFFAOYSA-N 0 0 244.298 2.253 10 0 BEAERN COc1ccccc1-c1nc(CCO)cs1 ZINC000019787946 175311033 /nfs/dbraw/zinc/31/10/33/175311033.db2.gz OQZBVXVUOHNLDC-UHFFFAOYSA-N 0 0 235.308 2.354 10 0 BEAERN COc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 ZINC000104067339 175311309 /nfs/dbraw/zinc/31/13/09/175311309.db2.gz MASWBKXNTFGMRU-UHFFFAOYSA-N 0 0 242.278 2.323 10 0 BEAERN COc1ccccc1-c1nc(C)c(C(N)=O)s1 ZINC000033885166 175311317 /nfs/dbraw/zinc/31/13/17/175311317.db2.gz ODXUWYRAHXUBLC-UHFFFAOYSA-N 0 0 248.307 2.226 10 0 BEAERN COc1ccccc1C(=O)[C@@H]1CCCOC1 ZINC000082365625 175318755 /nfs/dbraw/zinc/31/87/55/175318755.db2.gz GJKPOGYAJFMKGH-SNVBAGLBSA-N 0 0 220.268 2.305 10 0 BEAERN COc1ccccc1C(=O)c1cncc(F)c1 ZINC000049576039 175319829 /nfs/dbraw/zinc/31/98/29/175319829.db2.gz UEHDAVJPHPOYHJ-UHFFFAOYSA-N 0 0 231.226 2.460 10 0 BEAERN COc1ccccc1CNc1cccnn1 ZINC000052815853 175331197 /nfs/dbraw/zinc/33/11/97/175331197.db2.gz IBYPJAMYDLJTQN-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccccc1CNc1ccc(N)nc1 ZINC000019952906 175331263 /nfs/dbraw/zinc/33/12/63/175331263.db2.gz ZKPIHPYSVOJCLW-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN COc1ccccc1C[C@@H](O)[C@@H]1CCCOC1 ZINC000062244324 175332563 /nfs/dbraw/zinc/33/25/63/175332563.db2.gz DPUDHCKAYJHJBO-CHWSQXEVSA-N 0 0 236.311 2.025 10 0 BEAERN COc1ccccc1C[C@H](O)C[C@H]1CCCO1 ZINC000043457744 175333917 /nfs/dbraw/zinc/33/39/17/175333917.db2.gz PNXONXAMWSJRKZ-QWHCGFSZSA-N 0 0 236.311 2.168 10 0 BEAERN COc1ccccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190251313 175336559 /nfs/dbraw/zinc/33/65/59/175336559.db2.gz KLQDIYOCQFXWJL-MNOVXSKESA-N 0 0 249.310 2.449 10 0 BEAERN COc1ccccc1NC[C@H]1CCOC1 ZINC000019902059 175337365 /nfs/dbraw/zinc/33/73/65/175337365.db2.gz VSQBDOVYFDBWGH-SNVBAGLBSA-N 0 0 207.273 2.144 10 0 BEAERN COc1ccccc1NC[C@H](O)c1ccco1 ZINC000033464877 175338042 /nfs/dbraw/zinc/33/80/42/175338042.db2.gz WVQZMTCIIDBZNQ-NSHDSACASA-N 0 0 233.267 2.434 10 0 BEAERN COc1ccccc1[C@@H](N)c1nccs1 ZINC000058432318 175347608 /nfs/dbraw/zinc/34/76/08/175347608.db2.gz IZSDNFAZOBDBFA-SNVBAGLBSA-N 0 0 220.297 2.200 10 0 BEAERN COc1ccccc1[C@H](C)NCc1csnn1 ZINC000036901993 175352379 /nfs/dbraw/zinc/35/23/79/175352379.db2.gz QHSYNXSYIZZYPD-VIFPVBQESA-N 0 0 249.339 2.398 10 0 BEAERN COc1ccccc1[C@]1(C)NCCS1 ZINC000039105766 175356101 /nfs/dbraw/zinc/35/61/01/175356101.db2.gz NATSGDDTMSFWEK-LLVKDONJSA-N 0 0 209.314 2.204 10 0 BEAERN COc1ccnc(Oc2ccc([C@H](C)O)cc2)n1 ZINC000058825649 175368340 /nfs/dbraw/zinc/36/83/40/175368340.db2.gz IAIJGAASMNTKKI-VIFPVBQESA-N 0 0 246.266 2.331 10 0 BEAERN COc1ccnc(OC(C)C)c1OC1CC1 ZINC000095728076 175368443 /nfs/dbraw/zinc/36/84/43/175368443.db2.gz BSPQBVCAEFPFBY-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1ccnc2c(N)c(Cl)ccc12 ZINC000098178875 175368884 /nfs/dbraw/zinc/36/88/84/175368884.db2.gz NPJSYJVVPWPROX-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1cnc(-n2cc(Cl)cn2)c2[nH]ccc21 ZINC000089213059 175380742 /nfs/dbraw/zinc/38/07/42/175380742.db2.gz OZKMRTDQDCEZFE-UHFFFAOYSA-N 0 0 248.673 2.411 10 0 BEAERN COc1cncc(OC2CC2)c1Br ZINC000095731167 175386504 /nfs/dbraw/zinc/38/65/04/175386504.db2.gz GZAADXCNPWTDFO-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN COc1nc(-c2ccccc2)c(CO)s1 ZINC000045205521 175388573 /nfs/dbraw/zinc/38/85/73/175388573.db2.gz KIUJQEGDYZSAMW-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1nc(-n2cnc3ccccc32)ccc1N ZINC000037068204 175388673 /nfs/dbraw/zinc/38/86/73/175388673.db2.gz MNHNKTGMDCZBBT-UHFFFAOYSA-N 0 0 240.266 2.011 10 0 BEAERN COc1nc(Cl)nc(-c2cccc(F)c2)n1 ZINC000072192412 175392573 /nfs/dbraw/zinc/39/25/73/175392573.db2.gz NXYSQWSYSFVOJA-UHFFFAOYSA-N 0 0 239.637 2.340 10 0 BEAERN COc1nc(OC)c(Cl)cc1Cl ZINC000144794310 175395763 /nfs/dbraw/zinc/39/57/63/175395763.db2.gz QVNGWIMJGOYQFS-UHFFFAOYSA-N 0 0 208.044 2.406 10 0 BEAERN COc1cccc2c1nc(OC)c(C=O)c2OC ZINC000001616467 175396898 /nfs/dbraw/zinc/39/68/98/175396898.db2.gz ZPWJHFFYSOATNH-UHFFFAOYSA-N 0 0 247.250 2.073 10 0 BEAERN COc1nc2cc(NC(C)=O)ccc2s1 ZINC000211771612 175396989 /nfs/dbraw/zinc/39/69/89/175396989.db2.gz YPJOJBJJELACNZ-UHFFFAOYSA-N 0 0 222.269 2.263 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)[C@@H]1COc2ccccc21 ZINC000113056262 175655581 /nfs/dbraw/zinc/65/55/81/175655581.db2.gz GQYJMYGFNXSPCP-GXFFZTMASA-N 0 0 245.322 2.467 10 0 BEAERN C[C@@H](CC1CC1)Nc1ccc(CC(N)=O)cc1 ZINC000165079686 175656983 /nfs/dbraw/zinc/65/69/83/175656983.db2.gz CAQXBEMTOYXQPL-JTQLQIEISA-N 0 0 232.327 2.315 10 0 BEAERN C[C@@H](CCc1ccco1)Nc1ncc(N)cn1 ZINC000049564479 175688537 /nfs/dbraw/zinc/68/85/37/175688537.db2.gz KYMSPXGSXDXXEQ-VIFPVBQESA-N 0 0 232.287 2.085 10 0 BEAERN C[C@@H](CO)Nc1ccc(N)cc1C(F)(F)F ZINC000037754558 175758930 /nfs/dbraw/zinc/75/89/30/175758930.db2.gz JMBVCYXQFGCNFA-LURJTMIESA-N 0 0 234.221 2.080 10 0 BEAERN C[C@@H](CO)[C@@H](C)Nc1nc2ccccc2n1C ZINC000127231098 175762546 /nfs/dbraw/zinc/76/25/46/175762546.db2.gz XHJHMXOLRUWIDE-VHSXEESVSA-N 0 0 233.315 2.002 10 0 BEAERN C[C@@H](CSc1nnnn1C)c1ccccc1 ZINC000116610148 175765152 /nfs/dbraw/zinc/76/51/52/175765152.db2.gz CLCOHTWDTZCYRR-VIFPVBQESA-N 0 0 234.328 2.106 10 0 BEAERN C[C@@H](NC(=O)c1cc(N)c[nH]1)c1cccs1 ZINC000036863184 175848285 /nfs/dbraw/zinc/84/82/85/175848285.db2.gz LBGSTGAGGFPIEU-SSDOTTSWSA-N 0 0 235.312 2.149 10 0 BEAERN C[C@@H](Nc1ccc(NC(N)=O)cc1)c1cc[nH]n1 ZINC000037908160 175931721 /nfs/dbraw/zinc/93/17/21/175931721.db2.gz XBAQLZRXQYSSRO-MRVPVSSYSA-N 0 0 245.286 2.073 10 0 BEAERN C[C@@H](Nc1ncccn1)c1ccncc1 ZINC000035122264 175938264 /nfs/dbraw/zinc/93/82/64/175938264.db2.gz PKQYVBRLISLBDW-SECBINFHSA-N 0 0 200.245 2.045 10 0 BEAERN C[C@@H](O)Cc1nc(C2CCCCC2)no1 ZINC000082430374 175990241 /nfs/dbraw/zinc/99/02/41/175990241.db2.gz QDFAITZYWQWRSM-MRVPVSSYSA-N 0 0 210.277 2.041 10 0 BEAERN C[C@@H](O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000087138817 175992340 /nfs/dbraw/zinc/99/23/40/175992340.db2.gz VYEICRXXVGEASE-HTQZYQBOSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@@H](O)c1ccccc1OCc1nccn1C ZINC000035626764 176000003 /nfs/dbraw/zinc/00/00/03/176000003.db2.gz OLKYYJBOHNVECN-SNVBAGLBSA-N 0 0 232.283 2.052 10 0 BEAERN C[C@@H](O)c1ccccc1NCc1c[nH]cn1 ZINC000054765233 176000337 /nfs/dbraw/zinc/00/03/37/176000337.db2.gz PJUMSFHNWWXCPD-SECBINFHSA-N 0 0 217.272 2.075 10 0 BEAERN C[C@@H](O)c1cnc(N(C)Cc2ccncc2)s1 ZINC000054911303 176000359 /nfs/dbraw/zinc/00/03/59/176000359.db2.gz LMZDDYNCFMKZKR-SECBINFHSA-N 0 0 249.339 2.228 10 0 BEAERN C[C@@H](OC(C)(C)C)C(=O)Nc1cccc(N)c1 ZINC000020507531 176002099 /nfs/dbraw/zinc/00/20/99/176002099.db2.gz AAEHERLIYBXNPV-SECBINFHSA-N 0 0 236.315 2.411 10 0 BEAERN C[C@@H](OCCC(N)=S)c1ccccc1 ZINC000019432613 176002493 /nfs/dbraw/zinc/00/24/93/176002493.db2.gz OPTYZGKZDGCPSH-SECBINFHSA-N 0 0 209.314 2.440 10 0 BEAERN C[C@@H](Oc1ccc(Cl)cc1)c1nnc(N)o1 ZINC000003620081 176003583 /nfs/dbraw/zinc/00/35/83/176003583.db2.gz PNVNVLYUDQSXPC-ZCFIWIBFSA-N 0 0 239.662 2.445 10 0 BEAERN C[C@@H](Sc1ccccc1N)C(=O)NC1CC1 ZINC000020422221 176009351 /nfs/dbraw/zinc/00/93/51/176009351.db2.gz RFTUTILEHVVGEM-MRVPVSSYSA-N 0 0 236.340 2.028 10 0 BEAERN C[C@@H](c1ccc(F)cc1)n1nccc1N ZINC000019689240 176015531 /nfs/dbraw/zinc/01/55/31/176015531.db2.gz NPLKYMSZVQVJAK-QMMMGPOBSA-N 0 0 205.236 2.214 10 0 BEAERN C[C@@H](c1ccc(F)cc1F)n1nccc1N ZINC000019689426 176015956 /nfs/dbraw/zinc/01/59/56/176015956.db2.gz GWAZDAFITXBPND-ZETCQYMHSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@@H](c1cccc(N)c1)N1CCCCC1=O ZINC000037177809 176018445 /nfs/dbraw/zinc/01/84/45/176018445.db2.gz FPNWQIJPVDLFDI-JTQLQIEISA-N 0 0 218.300 2.342 10 0 BEAERN C[C@@H](c1cccnc1)[C@@H](O)c1cccnc1 ZINC000169318314 176030529 /nfs/dbraw/zinc/03/05/29/176030529.db2.gz CFAQETAOZPEMMZ-GXFFZTMASA-N 0 0 214.268 2.314 10 0 BEAERN C[C@@H](c1nccs1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000043220361 176039206 /nfs/dbraw/zinc/03/92/06/176039206.db2.gz HKNIFYJZYCKWNY-QMMMGPOBSA-N 0 0 240.328 2.001 10 0 BEAERN C[C@@H]1CCCCN1C(=O)c1sccc1N ZINC000040292185 176069097 /nfs/dbraw/zinc/06/90/97/176069097.db2.gz LUQQLGBNFYRKRP-MRVPVSSYSA-N 0 0 224.329 2.345 10 0 BEAERN C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(N)cn1C ZINC000042828514 176076454 /nfs/dbraw/zinc/07/64/54/176076454.db2.gz VPSNEPPDIJGVRW-GHMZBOCLSA-N 0 0 249.358 2.163 10 0 BEAERN C[C@@H]1CCCC[C@H]1[N@H+](C)C/C=C/C(=O)[O-] ZINC000051859866 176085619 /nfs/dbraw/zinc/08/56/19/176085619.db2.gz BQXTUMXWZPYRAK-GBUKMUNPSA-N 0 0 211.305 2.138 10 0 BEAERN C[C@@H]1CCCC[C@H]1Nc1cc(C(N)=O)ccc1N ZINC000103963400 176089659 /nfs/dbraw/zinc/08/96/59/176089659.db2.gz HUANKVQNEUSTAW-BXKDBHETSA-N 0 0 247.342 2.358 10 0 BEAERN C[C@@H]1CCC[N@H+](CC(C)(C)C(=O)[O-])[C@@H]1C ZINC000051288567 176097167 /nfs/dbraw/zinc/09/71/67/176097167.db2.gz SMQAVAQBLDCVMZ-NXEZZACHSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cc(F)c(N)c(F)c1 ZINC000063004069 176106449 /nfs/dbraw/zinc/10/64/49/176106449.db2.gz DJXFAXOWJYPANN-SSDOTTSWSA-N 0 0 240.253 2.172 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1ccc(N)c(F)c1 ZINC000054412866 176107328 /nfs/dbraw/zinc/10/73/28/176107328.db2.gz MCOOMJAKXSMUIG-MRVPVSSYSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1ccc(N)cc1F ZINC000043570990 176107343 /nfs/dbraw/zinc/10/73/43/176107343.db2.gz XNUDTGLYNWXYEH-MRVPVSSYSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CCc1ccnn1C ZINC000123924286 176114808 /nfs/dbraw/zinc/11/48/08/176114808.db2.gz CQRVXKFLDUSKKY-VXGBXAGGSA-N 0 0 249.358 2.142 10 0 BEAERN C[C@@H]1CCC[C@@H](Nc2ncc(N)cn2)C1 ZINC000040455629 176125123 /nfs/dbraw/zinc/12/51/23/176125123.db2.gz BFYGCAVHOXTVAY-PSASIEDQSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000300240810 176126462 /nfs/dbraw/zinc/12/64/62/176126462.db2.gz YKPGEUIAYSIPLR-NDBYEHHHSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@](CO)(Nc2ccccn2)C1 ZINC000053110357 176134135 /nfs/dbraw/zinc/13/41/35/176134135.db2.gz QAGDZCOQYLGDTG-DGCLKSJQSA-N 0 0 220.316 2.435 10 0 BEAERN C[C@@H]1CCC[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC000122011931 176137909 /nfs/dbraw/zinc/13/79/09/176137909.db2.gz WHOPLSKYTZUGNQ-VXGBXAGGSA-N 0 0 236.363 2.121 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)CCc2ccnn2C)C1 ZINC000119604276 176141195 /nfs/dbraw/zinc/14/11/95/176141195.db2.gz MTNUCKHGYRRCGP-NEPJUHHUSA-N 0 0 249.358 2.048 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000125837458 176142529 /nfs/dbraw/zinc/14/25/29/176142529.db2.gz KOOJHNJVHOGPNA-WISYIIOYSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@@H]1CCC[C@H](OC(=O)c2cc(N)c[nH]2)C1 ZINC000041046786 176146037 /nfs/dbraw/zinc/14/60/37/176146037.db2.gz VGRJIFKKSRIGFN-SCZZXKLOSA-N 0 0 222.288 2.332 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC1(CCO)CCCC1 ZINC000340747079 176146583 /nfs/dbraw/zinc/14/65/83/176146583.db2.gz ODDOOQAQZFCWEW-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCc2ccncc21 ZINC000336559138 176146795 /nfs/dbraw/zinc/14/67/95/176146795.db2.gz YKGQMHIYLAIRBB-ZYHUDNBSSA-N 0 0 230.311 2.407 10 0 BEAERN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134289336 176149118 /nfs/dbraw/zinc/14/91/18/176149118.db2.gz XGEHTEGCPXEUJA-CKYFFXLPSA-N 0 0 247.342 2.134 10 0 BEAERN C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N)cc1F ZINC000071205320 176149916 /nfs/dbraw/zinc/14/99/16/176149916.db2.gz UDAWWBSJNQEEMT-PRHODGIISA-N 0 0 236.290 2.326 10 0 BEAERN C[C@@H]1CCCc2nc3c(c(=O)n21)CCCC3 ZINC000029327836 176153632 /nfs/dbraw/zinc/15/36/32/176153632.db2.gz UENSQHPPFYADED-SECBINFHSA-N 0 0 218.300 2.019 10 0 BEAERN C[C@@H]1CCCn2c1nc1c(c2=O)CCCC1 ZINC000029325542 176153641 /nfs/dbraw/zinc/15/36/41/176153641.db2.gz BVFLPWVDXRKAAA-SECBINFHSA-N 0 0 218.300 2.019 10 0 BEAERN C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC2CCCC2)C1 ZINC000126478470 176186109 /nfs/dbraw/zinc/18/61/09/176186109.db2.gz XNCYOGVNXISGAT-DGCLKSJQSA-N 0 0 238.375 2.071 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2)O1 ZINC000121665211 176194239 /nfs/dbraw/zinc/19/42/39/176194239.db2.gz LQWNGDOAGQQLSW-YPMHNXCESA-N 0 0 233.311 2.213 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(O)cc2F)O1 ZINC000126795887 176196120 /nfs/dbraw/zinc/19/61/20/176196120.db2.gz NVFSJQKYBCGNPF-HQJQHLMTSA-N 0 0 239.246 2.037 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(F)c2)O1 ZINC000121767694 176221363 /nfs/dbraw/zinc/22/13/63/176221363.db2.gz PBLQSJNLYHSSNI-LDYMZIIASA-N 0 0 223.247 2.332 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000127790427 176222372 /nfs/dbraw/zinc/22/23/72/176222372.db2.gz YZFAPEFXAPGDRA-AGIUHOORSA-N 0 0 239.359 2.450 10 0 BEAERN C[C@@H]1CN(CCCOc2ccccc2)CCC1=O ZINC000052092347 176289579 /nfs/dbraw/zinc/28/95/79/176289579.db2.gz ZPSZHWKSDMCSIY-CYBMUJFWSA-N 0 0 247.338 2.366 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2N)C[C@@H](C)O1 ZINC000019868065 176318788 /nfs/dbraw/zinc/31/87/88/176318788.db2.gz ZNBCYQVFUUFJCK-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN C[C@@H]1CN(c2cc(F)ccc2N)CCCO1 ZINC000061916832 176318908 /nfs/dbraw/zinc/31/89/08/176318908.db2.gz OLSJRRONYWLQNR-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1COCC[C@H](OC2CCCC2)O1 ZINC000039112760 176343086 /nfs/dbraw/zinc/34/30/86/176343086.db2.gz CECOTKSWIUWQHF-KOLCDFICSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@@H]1COc2ccc(Cl)cc2NC1=O ZINC000062525463 176348293 /nfs/dbraw/zinc/34/82/93/176348293.db2.gz YCCGAUYLIMSTHF-ZCFIWIBFSA-N 0 0 211.648 2.307 10 0 BEAERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C1CC1 ZINC000041423782 176348577 /nfs/dbraw/zinc/34/85/77/176348577.db2.gz CHEVYIPWKNMXMC-RISCZKNCSA-N 0 0 245.322 2.385 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2sccc2N)C1 ZINC000040294779 176360829 /nfs/dbraw/zinc/36/08/29/176360829.db2.gz WWQABCORTVNMBP-RKDXNWHRSA-N 0 0 238.356 2.448 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ccc(N)nc2)C1 ZINC000019868438 176361448 /nfs/dbraw/zinc/36/14/48/176361448.db2.gz YWMHHFOVKRWKJD-NXEZZACHSA-N 0 0 205.305 2.146 10 0 BEAERN C[C@@H]1C[C@@H](N2CCCC2=O)c2c(N)cccc2N1 ZINC000005798578 176373172 /nfs/dbraw/zinc/37/31/72/176373172.db2.gz TZWOYVQTRTVIIE-BXKDBHETSA-N 0 0 245.326 2.136 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1c(Cl)nc2ccccn21 ZINC000171050141 176402988 /nfs/dbraw/zinc/40/29/88/176402988.db2.gz TXKFBXOSIUHBKJ-SFYZADRCSA-N 0 0 249.701 2.126 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cncc(N[C@H]2C[C@H]2C)n1 ZINC000309752868 176405790 /nfs/dbraw/zinc/40/57/90/176405790.db2.gz HBNIVOHTWVXVHQ-IMSYWVGJSA-N 0 0 218.304 2.117 10 0 BEAERN C[C@@H]1Cc2cc(Br)cc(N)c2O1 ZINC000082351180 176450206 /nfs/dbraw/zinc/45/02/06/176450206.db2.gz QGRIHGNLLXBIFA-RXMQYKEDSA-N 0 0 228.089 2.355 10 0 BEAERN C[C@@H]1OCC[C@@H]1SC[C@@H](O)C(C)(C)C ZINC000308570758 176475648 /nfs/dbraw/zinc/47/56/48/176475648.db2.gz DYNBCEVSKLULKZ-LPEHRKFASA-N 0 0 218.362 2.304 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cccc(Cl)n1 ZINC000135081141 176482290 /nfs/dbraw/zinc/48/22/90/176482290.db2.gz ODJJYQAHURJVOJ-JGVFFNPUSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1SC(=N)O[C@H]1C(=O)c1ccccc1 ZINC000039110368 176488387 /nfs/dbraw/zinc/48/83/87/176488387.db2.gz IJTBLLNHWOOOTI-OIBJUYFYSA-N 0 0 221.281 2.325 10 0 BEAERN C[C@@]1(c2ccc(Cl)s2)CNC(=O)O1 ZINC000036159615 176546841 /nfs/dbraw/zinc/54/68/41/176546841.db2.gz KWUGZOGXSXJTMK-QMMMGPOBSA-N 0 0 217.677 2.357 10 0 BEAERN C[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccccc1F ZINC000108994064 176576960 /nfs/dbraw/zinc/57/69/60/176576960.db2.gz CCWSBYKEXVUVTJ-HOTUBEGUSA-N 0 0 221.275 2.454 10 0 BEAERN C[C@H](CO)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000035600437 176707659 /nfs/dbraw/zinc/70/76/59/176707659.db2.gz YIJZEWUBVYNBJC-ZCFIWIBFSA-N 0 0 234.221 2.080 10 0 BEAERN C[C@H](Cc1ccco1)Nc1cccnn1 ZINC000052830979 176724942 /nfs/dbraw/zinc/72/49/42/176724942.db2.gz LRNIEDLQYYGNMH-SECBINFHSA-N 0 0 203.245 2.113 10 0 BEAERN C[C@H](Cn1cccn1)Nc1cccc(F)c1N ZINC000042539186 176731858 /nfs/dbraw/zinc/73/18/58/176731858.db2.gz DPAHKNHWSXEXOU-SECBINFHSA-N 0 0 234.278 2.105 10 0 BEAERN C[C@H](Nc1cc(Cl)ncn1)[C@H]1CCCO1 ZINC000048631240 176931100 /nfs/dbraw/zinc/93/11/00/176931100.db2.gz XICZEDMHSIITLC-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@H](Nc1cc(Cl)ccc1Cl)C(N)=O ZINC000020300850 176931456 /nfs/dbraw/zinc/93/14/56/176931456.db2.gz GMTUKKPGVFOZRQ-YFKPBYRVSA-N 0 0 233.098 2.279 10 0 BEAERN C[C@H](Nc1cc(N)cc(F)c1)[C@H]1CCCO1 ZINC000037667999 176932396 /nfs/dbraw/zinc/93/23/96/176932396.db2.gz IFUVHDRXBQRMOV-QPUJVOFHSA-N 0 0 224.279 2.387 10 0 BEAERN C[C@H](Nc1ccc(F)cn1)[C@@H]1CCCO1 ZINC000041045383 176933310 /nfs/dbraw/zinc/93/33/10/176933310.db2.gz ARQVFJHRJYLOFD-WPRPVWTQSA-N 0 0 210.252 2.200 10 0 BEAERN C[C@H](Nc1cccc2ccccc21)C(N)=O ZINC000007042451 176935778 /nfs/dbraw/zinc/93/57/78/176935778.db2.gz SWUBDVQTLHJOQY-VIFPVBQESA-N 0 0 214.268 2.126 10 0 BEAERN C[C@H](Nc1ccnc(C(N)=O)c1)c1cccs1 ZINC000035737102 176937246 /nfs/dbraw/zinc/93/72/46/176937246.db2.gz PEBNLDZDGXAKOE-QMMMGPOBSA-N 0 0 247.323 2.415 10 0 BEAERN C[C@@H](Oc1ccc2c(c1)C(=O)CCC2)[C@H](C)O ZINC000235536440 177005280 /nfs/dbraw/zinc/00/52/80/177005280.db2.gz PRYNHQIMVORORD-VHSXEESVSA-N 0 0 234.295 2.354 10 0 BEAERN C[C@H](O)[C@@H](N)c1nc2cc(Cl)ccc2s1 ZINC000019815038 177006377 /nfs/dbraw/zinc/00/63/77/177006377.db2.gz HAGHXXUDOQFADS-SSDLBLMSSA-N 0 0 242.731 2.330 10 0 BEAERN C[C@@H](c1nc(CCc2ccccc2)no1)[C@H](C)O ZINC000104054326 177006697 /nfs/dbraw/zinc/00/66/97/177006697.db2.gz MMWGLUSGEDOJCJ-MNOVXSKESA-N 0 0 246.310 2.339 10 0 BEAERN C[C@H](O)[C@H](C)Oc1cccc(Cl)c1 ZINC000087138849 177012267 /nfs/dbraw/zinc/01/22/67/177012267.db2.gz JJZYAAZUKOCISV-YUMQZZPRSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@H](O)[C@H](N)c1nc2cccc(Cl)c2s1 ZINC000037206048 177013870 /nfs/dbraw/zinc/01/38/70/177013870.db2.gz HTZZQIXFVTXFES-XNCJUZBTSA-N 0 0 242.731 2.330 10 0 BEAERN C[C@H](O)c1cc(C(F)(F)F)ccc1O ZINC000071445284 177016769 /nfs/dbraw/zinc/01/67/69/177016769.db2.gz HATFSXHNWVDINS-YFKPBYRVSA-N 0 0 206.163 2.464 10 0 BEAERN C[C@H](O)c1ccc(NC(=O)NC2CCC2)cc1 ZINC000052214324 177016966 /nfs/dbraw/zinc/01/69/66/177016966.db2.gz HOZIOSRLOBJFLQ-VIFPVBQESA-N 0 0 234.299 2.414 10 0 BEAERN C[C@H](O)c1ccc(OCc2nccn2C)cc1 ZINC000035626099 177017009 /nfs/dbraw/zinc/01/70/09/177017009.db2.gz FBLYEDBHKVRGFD-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN C[C@H](O)c1cccc(OCCn2cccn2)c1 ZINC000049325586 177017187 /nfs/dbraw/zinc/01/71/87/177017187.db2.gz PDHACBREUYVLRX-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN C[C@H](O)c1ccc(N2CCCOCC2)c(F)c1 ZINC000061919582 177017548 /nfs/dbraw/zinc/01/75/48/177017548.db2.gz QUXJEOTZFQJPNL-JTQLQIEISA-N 0 0 239.290 2.106 10 0 BEAERN C[C@H](O)c1cncnc1-c1ccccc1 ZINC000072416920 177017879 /nfs/dbraw/zinc/01/78/79/177017879.db2.gz SOWZKHPULRQQHP-VIFPVBQESA-N 0 0 200.241 2.197 10 0 BEAERN C[C@H](OCc1nnsc1N)c1ccccc1 ZINC000050831749 177022086 /nfs/dbraw/zinc/02/20/86/177022086.db2.gz FHBHUWCNZRZIKV-QMMMGPOBSA-N 0 0 235.312 2.398 10 0 BEAERN C[C@H](Oc1ccc(Cl)cc1)c1nnc(N)o1 ZINC000003620078 177022204 /nfs/dbraw/zinc/02/22/04/177022204.db2.gz PNVNVLYUDQSXPC-LURJTMIESA-N 0 0 239.662 2.445 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000087138821 177022215 /nfs/dbraw/zinc/02/22/15/177022215.db2.gz VYEICRXXVGEASE-SFYZADRCSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@H]([NH3+])c1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC000050209562 177022529 /nfs/dbraw/zinc/02/25/29/177022529.db2.gz RIQOBRFVVSKMBP-BQBZGAKWSA-N 0 0 243.690 2.212 10 0 BEAERN C[C@H](Oc1ccc(F)cc1F)C(N)=S ZINC000041229603 177023401 /nfs/dbraw/zinc/02/34/01/177023401.db2.gz DBPDXXSFMOHAOG-YFKPBYRVSA-N 0 0 217.240 2.018 10 0 BEAERN C[C@H](c1cc2cccnc2s1)N(O)C(N)=O ZINC000013762756 177031482 /nfs/dbraw/zinc/03/14/82/177031482.db2.gz LUNSFLGCWMZYJD-ZCFIWIBFSA-N 0 0 237.284 2.127 10 0 BEAERN C[C@H](c1ccc(N)cc1)N1CCCCC1=O ZINC000037177488 177033984 /nfs/dbraw/zinc/03/39/84/177033984.db2.gz DTYGUODRGJJNNR-SNVBAGLBSA-N 0 0 218.300 2.342 10 0 BEAERN C[C@H](c1ccc(N)cc1)N1CCCOC1=O ZINC000041054544 177035784 /nfs/dbraw/zinc/03/57/84/177035784.db2.gz ZUZRTZSUQFWGGU-SECBINFHSA-N 0 0 220.272 2.172 10 0 BEAERN C[C@H](c1ccccc1)N1CCCNC1=O ZINC000090629106 177038386 /nfs/dbraw/zinc/03/83/86/177038386.db2.gz OCSXATDVESXLJQ-SNVBAGLBSA-N 0 0 204.273 2.163 10 0 BEAERN C[C@H](c1ccco1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000082249745 177049344 /nfs/dbraw/zinc/04/93/44/177049344.db2.gz SMBWERZZESFWJX-SECBINFHSA-N 0 0 223.272 2.137 10 0 BEAERN C[C@@H](c1ccnn1C)c1nc([C@@H]2CC2(C)C)no1 ZINC000333768603 177053557 /nfs/dbraw/zinc/05/35/57/177053557.db2.gz DXNIXRJBCKIZSB-IUCAKERBSA-N 0 0 246.314 2.468 10 0 BEAERN C[C@H]1CC(=O)Nc2ccc(Cl)cc2O1 ZINC000032217722 177063250 /nfs/dbraw/zinc/06/32/50/177063250.db2.gz OBYMSPNSAICJJD-LURJTMIESA-N 0 0 211.648 2.450 10 0 BEAERN C[C@H]1CCCC[C@H]1c1nc(-c2ncon2)no1 ZINC000333568188 177090477 /nfs/dbraw/zinc/09/04/77/177090477.db2.gz LZRUDTHQGQJZCC-JGVFFNPUSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@H]1CCCN1CC(=O)c1cc(F)ccc1O ZINC000037911597 177108809 /nfs/dbraw/zinc/10/88/09/177108809.db2.gz NKKXQDFNVKSNEX-VIFPVBQESA-N 0 0 237.274 2.198 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000336400896 177112560 /nfs/dbraw/zinc/11/25/60/177112560.db2.gz WFBOCDXVJQAXMO-NWDGAFQWSA-N 0 0 247.342 2.052 10 0 BEAERN C[C@@H]1CCC[C@H](C)[N@H+]1CC(C)(C)C(=O)[O-] ZINC000011884083 177116080 /nfs/dbraw/zinc/11/60/80/177116080.db2.gz XDDGZIBELHPAAX-AOOOYVTPSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CCC[C@@H]([N@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859733 177120870 /nfs/dbraw/zinc/12/08/70/177120870.db2.gz JYMDVABOMXLBFM-NAJRYUOPSA-N 0 0 211.305 2.138 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOCC1(C)C ZINC000335985080 177123410 /nfs/dbraw/zinc/12/34/10/177123410.db2.gz GEFNEXUINAKKGZ-QWRGUYRKSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@H]1CCC[C@H](OC(=O)c2cc(N)c[nH]2)C1 ZINC000041046787 177138487 /nfs/dbraw/zinc/13/84/87/177138487.db2.gz VGRJIFKKSRIGFN-WPRPVWTQSA-N 0 0 222.288 2.332 10 0 BEAERN C[C@H]1CCC(C(=O)C(F)(F)F)=C(O)C1 ZINC000100196948 177180337 /nfs/dbraw/zinc/18/03/37/177180337.db2.gz ULAJSLQTYJJGEJ-NTSWFWBYSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)O1 ZINC000122304819 177180800 /nfs/dbraw/zinc/18/08/00/177180800.db2.gz CBWMPISVDMTGEH-CABZTGNLSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(F)c2)O1 ZINC000122047901 177181995 /nfs/dbraw/zinc/18/19/95/177181995.db2.gz TUTXNSTVIMUTIE-CPCISQLKSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2)O1 ZINC000125167851 177182460 /nfs/dbraw/zinc/18/24/60/177182460.db2.gz LCNVJIYMPNLIKG-CPCISQLKSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)NCCCF)C1 ZINC000123698968 177183523 /nfs/dbraw/zinc/18/35/23/177183523.db2.gz BFWDARGRMZKFQC-ZJUUUORDSA-N 0 0 216.300 2.176 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2F)O1 ZINC000122012048 177197257 /nfs/dbraw/zinc/19/72/57/177197257.db2.gz YBKBJIAFHOGTBC-WRWORJQWSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@H]1CCc2cc3c(cc2[C@@H](O)C1)OCCO3 ZINC000061831966 177208972 /nfs/dbraw/zinc/20/89/72/177208972.db2.gz MDCDSXQVQFATAW-CABZTGNLSA-N 0 0 234.295 2.464 10 0 BEAERN C[C@H]1CN(C(=O)C2CC(C)(C)C2)CCS1 ZINC000336379252 177213495 /nfs/dbraw/zinc/21/34/95/177213495.db2.gz COVYQNOAYJDJCW-VIFPVBQESA-N 0 0 227.373 2.387 10 0 BEAERN C[C@H]1CN(C(=O)C[C@H]2C=CCC2)CCS1 ZINC000171578451 177217456 /nfs/dbraw/zinc/21/74/56/177217456.db2.gz HSKPOUOBUYTGLY-QWRGUYRKSA-N 0 0 225.357 2.307 10 0 BEAERN C[C@@H]1[C@@H](C)CN1Cc1cc(Br)no1 ZINC000293001717 177261336 /nfs/dbraw/zinc/26/13/36/177261336.db2.gz NCKPVTNFUZGPHD-NKWVEPMBSA-N 0 0 245.120 2.277 10 0 BEAERN C[C@@H]1CC(=O)[C@@H](C)CN1Cc1ccccc1 ZINC000068592644 177267042 /nfs/dbraw/zinc/26/70/42/177267042.db2.gz GALZSXMMVXOBQW-NWDGAFQWSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H](O)c1ccccc1N1CCCO[C@@H](C)C1 ZINC000061919554 177277662 /nfs/dbraw/zinc/27/76/62/177277662.db2.gz CUKBWGPCXMBFID-NWDGAFQWSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccnc(Cl)c1 ZINC000172668429 177299101 /nfs/dbraw/zinc/29/91/01/177299101.db2.gz HYDPABTYYGXPJC-AOOOYVTPSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1cccnc1Cl ZINC000172667357 177299835 /nfs/dbraw/zinc/29/98/35/177299835.db2.gz YCLDKOLLOXDLJX-UWVGGRQHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1ccc(Cl)nc1 ZINC000077657760 177300127 /nfs/dbraw/zinc/30/01/27/177300127.db2.gz CUXSZMGMLJXMIO-UWVGGRQHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)O1 ZINC000121834410 177312415 /nfs/dbraw/zinc/31/24/15/177312415.db2.gz FGFYQINCYFCILX-WRWGMCAJSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ccc(N)nc2)C1 ZINC000019868441 177315261 /nfs/dbraw/zinc/31/52/61/177315261.db2.gz YWMHHFOVKRWKJD-AOOOYVTPSA-N 0 0 205.305 2.146 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C(F)(F)c1ccccc1 ZINC000075513124 177346255 /nfs/dbraw/zinc/34/62/55/177346255.db2.gz XTPKCZZSJNWSOZ-WPRPVWTQSA-N 0 0 225.238 2.303 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000075531507 177346354 /nfs/dbraw/zinc/34/63/54/177346354.db2.gz CAHMTZVSSCSEPO-JQWIXIFHSA-N 0 0 215.296 2.243 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1cccs1 ZINC000075531154 177346753 /nfs/dbraw/zinc/34/67/53/177346753.db2.gz HHFNVDCXKIXHDZ-WPRPVWTQSA-N 0 0 209.314 2.205 10 0 BEAERN C[C@H](CNC(=O)N[C@H]1C[C@@H]1C)Oc1ccccc1 ZINC000073057035 177346952 /nfs/dbraw/zinc/34/69/52/177346952.db2.gz TUZAXJMWSAMYKK-LOWVWBTDSA-N 0 0 248.326 2.162 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCCc1cccc(F)c1 ZINC000075981940 177347178 /nfs/dbraw/zinc/34/71/78/177347178.db2.gz GWDPOTAVQMYMRY-CABZTGNLSA-N 0 0 236.290 2.076 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1Cc2ccccc2C1 ZINC000106270457 177347431 /nfs/dbraw/zinc/34/74/31/177347431.db2.gz HRVSSLDUQSZZPP-CABZTGNLSA-N 0 0 216.284 2.120 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1ccccc1 ZINC000075982689 177347448 /nfs/dbraw/zinc/34/74/48/177347448.db2.gz KOVDVAKDHYQTLD-JQWIXIFHSA-N 0 0 218.300 2.236 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Cl)nc1 ZINC000075958576 177347789 /nfs/dbraw/zinc/34/77/89/177347789.db2.gz BRSLXJKIEMZWHS-XPUUQOCRSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000075516659 177347838 /nfs/dbraw/zinc/34/78/38/177347838.db2.gz MZIUEMBUFSELMR-FSPLSTOPSA-N 0 0 247.125 2.470 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(F)c1F ZINC000078711672 177349274 /nfs/dbraw/zinc/34/92/74/177349274.db2.gz OBUPBERGWKLQGH-XNCJUZBTSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1sccc1OC(F)F ZINC000104406451 177349609 /nfs/dbraw/zinc/34/96/09/177349609.db2.gz BCNRWMSCNRCDPL-WDSKDSINSA-N 0 0 247.266 2.488 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ncc(Br)cc1N ZINC000052274544 177350561 /nfs/dbraw/zinc/35/05/61/177350561.db2.gz DAIQWRLYOHCXFD-XNCJUZBTSA-N 0 0 242.120 2.247 10 0 BEAERN C[C@@H]([NH3+])c1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000022178089 177377074 /nfs/dbraw/zinc/37/70/74/177377074.db2.gz HNLCRFUWFYNICK-IQJOONFLSA-N 0 0 218.300 2.301 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCC(=O)c1cccs1 ZINC000075528360 177382540 /nfs/dbraw/zinc/38/25/40/177382540.db2.gz GVLHJCJNWTXRIP-DTWKUNHWSA-N 0 0 237.324 2.236 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCC1(c2ccccc2)CC1 ZINC000075982198 177383298 /nfs/dbraw/zinc/38/32/98/177383298.db2.gz CVKFVOWEJDXBGY-WCQYABFASA-N 0 0 244.338 2.426 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCc2cc(F)ccc2C1 ZINC000093790852 177383637 /nfs/dbraw/zinc/38/36/37/177383637.db2.gz RPHHSCNRYYTGMW-TVQRCGJNSA-N 0 0 248.301 2.302 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCc2c(F)cccc2C1 ZINC000123612310 177383721 /nfs/dbraw/zinc/38/37/21/177383721.db2.gz RUMSDJSQYOBCJE-TVQRCGJNSA-N 0 0 248.301 2.302 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc2c(c1)CCO2 ZINC000170824615 177384170 /nfs/dbraw/zinc/38/41/70/177384170.db2.gz PFUYDBNAHSWBAJ-GZMMTYOYSA-N 0 0 232.283 2.151 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000075513639 177384558 /nfs/dbraw/zinc/38/45/58/177384558.db2.gz WADQUWGGTKWCHG-JGVFFNPUSA-N 0 0 247.323 2.276 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(O)ccc1Cl ZINC000235579970 177384588 /nfs/dbraw/zinc/38/45/88/177384588.db2.gz PNNKIFOLXMKSNA-QUBYGPBYSA-N 0 0 225.675 2.184 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000171064530 177384763 /nfs/dbraw/zinc/38/47/63/177384763.db2.gz BKPQFXFPLSOUFE-QUBYGPBYSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Br)o1 ZINC000052293005 177384818 /nfs/dbraw/zinc/38/48/18/177384818.db2.gz PSZNALWWUSBGFM-NTSWFWBYSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)ccc1O ZINC000052293464 177385103 /nfs/dbraw/zinc/38/51/03/177385103.db2.gz WOHROQLXBLICLA-IMTBSYHQSA-N 0 0 225.675 2.184 10 0 BEAERN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000019426696 177389638 /nfs/dbraw/zinc/38/96/38/177389638.db2.gz IYTBDYNESDWFOW-AAEUAGOBSA-N 0 0 244.338 2.106 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1 ZINC000190240950 177397645 /nfs/dbraw/zinc/39/76/45/177397645.db2.gz BKSGKBIXWNMAAU-ZYHUDNBSSA-N 0 0 219.284 2.440 10 0 BEAERN C[C@H]1Oc2c(F)c(F)ccc2NC1=S ZINC000075883251 177410453 /nfs/dbraw/zinc/41/04/53/177410453.db2.gz HGQYCIPYZKRUMF-SCSAIBSYSA-N 0 0 215.224 2.485 10 0 BEAERN Cc1c(Cl)cccc1NC[C@@H](C)C(N)=O ZINC000037227169 177602581 /nfs/dbraw/zinc/60/25/81/177602581.db2.gz GEWOUGXDPSZHET-SSDOTTSWSA-N 0 0 226.707 2.182 10 0 BEAERN Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1O ZINC000043320914 177609143 /nfs/dbraw/zinc/60/91/43/177609143.db2.gz JVHOGRMMJLNZCJ-NEPJUHHUSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1c(N)cccc1C(=O)N[C@H](C)C1CC1 ZINC000035732598 177612157 /nfs/dbraw/zinc/61/21/57/177612157.db2.gz DJYALCJSKDKQSS-SECBINFHSA-N 0 0 218.300 2.106 10 0 BEAERN Cc1c(N)cccc1N[C@@H]1CCCC[C@H]1O ZINC000062725429 177614153 /nfs/dbraw/zinc/61/41/53/177614153.db2.gz GOMIYBYOUGRYSO-CHWSQXEVSA-N 0 0 220.316 2.293 10 0 BEAERN O=C(OCC(F)(F)F)N1C[C@@H]2CCC[C@H]21 ZINC000495603800 226283486 /nfs/dbraw/zinc/28/34/86/226283486.db2.gz QWVAMTPCFWICRH-NKWVEPMBSA-N 0 0 223.194 2.170 10 0 BEAERN C[C@H]1COc2c(F)c(F)cc3c2N1CCC3=O ZINC000504342784 226342895 /nfs/dbraw/zinc/34/28/95/226342895.db2.gz NUANZKLXGGQFLY-LURJTMIESA-N 0 0 239.221 2.139 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000306853595 487657289 /nfs/dbraw/zinc/65/72/89/487657289.db2.gz UCQJCGMRUHELRL-DCAQKATOSA-N 0 0 213.321 2.074 10 0 BEAERN CCC[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398771931 262769336 /nfs/dbraw/zinc/76/93/36/262769336.db2.gz LAEDVRGKZKKXNP-WUHRBBMRSA-N 0 0 239.359 2.042 10 0 BEAERN COc1cc2nc(Cl)ncc2c(OC)c1 ZINC000575442113 487683953 /nfs/dbraw/zinc/68/39/53/487683953.db2.gz IVSMTIAEDVAECM-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000669695763 487686880 /nfs/dbraw/zinc/68/68/80/487686880.db2.gz BHFFLBAXVKNMPL-TUAOUCFPSA-N 0 0 227.348 2.232 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)cc1C ZINC000399220307 262780021 /nfs/dbraw/zinc/78/00/21/262780021.db2.gz IRKIZXHWNGETOE-JSGCOSHPSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1n[nH]cc1CNC(=O)Nc1ccccc1 ZINC000037991330 262788629 /nfs/dbraw/zinc/78/86/29/262788629.db2.gz BFKMVNNHKKNMCS-UHFFFAOYSA-N 0 0 230.271 2.040 10 0 BEAERN COc1ccnc(NC(C)(C)COC(C)C)n1 ZINC000396360477 262802414 /nfs/dbraw/zinc/80/24/14/262802414.db2.gz ZKDOBUQZQCDBKH-UHFFFAOYSA-N 0 0 239.319 2.101 10 0 BEAERN CCC[C@H](C)C(=O)NCCCCCC(=O)OC ZINC000035250722 262841232 /nfs/dbraw/zinc/84/12/32/262841232.db2.gz ZPUAUFJUNSKTMG-NSHDSACASA-N 0 0 243.347 2.272 10 0 BEAERN CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250055763 487726494 /nfs/dbraw/zinc/72/64/94/487726494.db2.gz YMAKPXYLCUMCRA-AYMMMOKOSA-N 0 0 235.249 2.443 10 0 BEAERN COc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1N ZINC000250406819 487732310 /nfs/dbraw/zinc/73/23/10/487732310.db2.gz RWBWIWDOYOOBHT-ILWJIGKKSA-N 0 0 246.310 2.262 10 0 BEAERN Cc1cnc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000250868122 487743009 /nfs/dbraw/zinc/74/30/09/487743009.db2.gz IEXZEMLVUWCCJV-AYMMMOKOSA-N 0 0 222.313 2.436 10 0 BEAERN COC[C@H](C)C(=O)N1CCCCCCC1 ZINC000103357898 585096893 /nfs/dbraw/zinc/09/68/93/585096893.db2.gz NXWVUTDAJKFCNI-NSHDSACASA-N 0 0 213.321 2.062 10 0 BEAERN Cc1ccc(CN(C)C(=O)N[C@H]2C[C@@H]2C)o1 ZINC000194201092 487759856 /nfs/dbraw/zinc/75/98/56/487759856.db2.gz JUTBAQMMBSTCCC-KWQFWETISA-N 0 0 222.288 2.138 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000307233930 487776768 /nfs/dbraw/zinc/77/67/68/487776768.db2.gz QVRMSSGVDFVWTB-GMTAPVOTSA-N 0 0 213.321 2.074 10 0 BEAERN C[C@@H]([N@H+](C)Cc1ncccc1C(=O)[O-])C1(C)CC1 ZINC000385254703 487777261 /nfs/dbraw/zinc/77/72/61/487777261.db2.gz PMKHKBPXUWNRQX-SNVBAGLBSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251619091 487777519 /nfs/dbraw/zinc/77/75/19/487777519.db2.gz CKSLUCGRUDCQFG-WISYIIOYSA-N 0 0 207.317 2.434 10 0 BEAERN C[C@H]1CC[N@H+](Cc2ncccc2C(=O)[O-])C[C@H]1C ZINC000385406221 487784958 /nfs/dbraw/zinc/78/49/58/487784958.db2.gz PXGAMZRNNIWTMH-WDEREUQCSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1cc(C(C)(C)C)ncn1 ZINC000310361224 487801350 /nfs/dbraw/zinc/80/13/50/487801350.db2.gz KIAWXAKVGSJTGM-NXEZZACHSA-N 0 0 235.331 2.363 10 0 BEAERN Cc1cccnc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000666525502 487827361 /nfs/dbraw/zinc/82/73/61/487827361.db2.gz HQVZFKWJMNCQBV-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN O=c1[nH]n(-c2ccccn2)c2ccccc12 ZINC000146453421 487831925 /nfs/dbraw/zinc/83/19/25/487831925.db2.gz FQPZYXORCCKJSV-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN CCn1ncnc1CNc1cscc1C ZINC000395710329 487867156 /nfs/dbraw/zinc/86/71/56/487867156.db2.gz GHXMRMQKHNOQKM-UHFFFAOYSA-N 0 0 222.317 2.280 10 0 BEAERN CC1(C(=O)N[C@H]2CCC[C@H](O)C2)CCCCC1 ZINC000681961467 487872960 /nfs/dbraw/zinc/87/29/60/487872960.db2.gz MZFUJPOTQXGQQZ-RYUDHWBXSA-N 0 0 239.359 2.377 10 0 BEAERN CCC[C@@H](C)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304146146 487872861 /nfs/dbraw/zinc/87/28/61/487872861.db2.gz AFCCTKMMJKKRKO-SNVBAGLBSA-N 0 0 236.315 2.400 10 0 BEAERN CCCc1nsc(NCC[C@@H]2CCCO2)n1 ZINC000083653920 487927090 /nfs/dbraw/zinc/92/70/90/487927090.db2.gz IDNSSXONDNLHFX-VIFPVBQESA-N 0 0 241.360 2.472 10 0 BEAERN CC(C)[C@H](O)CC(=O)NC/C=C\c1ccccc1 ZINC000255279169 322921340 /nfs/dbraw/zinc/92/13/40/322921340.db2.gz VRWZLRQQGPIIPX-DEBLGDTFSA-N 0 0 247.338 2.223 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)C1(OC)CCCC1 ZINC000562352142 323017592 /nfs/dbraw/zinc/01/75/92/323017592.db2.gz IGNXMMKVHPZLST-QWRGUYRKSA-N 0 0 225.332 2.250 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)c2ccccc2F)O1 ZINC000151585490 323019304 /nfs/dbraw/zinc/01/93/04/323019304.db2.gz QLTNRRQIZMINED-CABZTGNLSA-N 0 0 237.274 2.356 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)NCC2CC2)o1 ZINC000048060746 323114318 /nfs/dbraw/zinc/11/43/18/323114318.db2.gz FVWFIZDIOBKUEZ-VIFPVBQESA-N 0 0 222.288 2.358 10 0 BEAERN COCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000048366678 323153086 /nfs/dbraw/zinc/15/30/86/323153086.db2.gz YBODLMVPHXHXBJ-JTQLQIEISA-N 0 0 225.288 2.192 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000075531482 323169009 /nfs/dbraw/zinc/16/90/09/323169009.db2.gz BHTLDJCPLSTFCZ-XPUUQOCRSA-N 0 0 244.216 2.239 10 0 BEAERN Cc1ccc(C(=O)NCc2ccoc2)c(C)n1 ZINC000053041494 323196229 /nfs/dbraw/zinc/19/62/29/323196229.db2.gz AQZZZGLXLLICRJ-UHFFFAOYSA-N 0 0 230.267 2.221 10 0 BEAERN [NH3+][C@@H](C[C@@H](CC(=O)[O-])C(F)(F)F)C1CCC1 ZINC000521401956 323201108 /nfs/dbraw/zinc/20/11/08/323201108.db2.gz SKLJFECGQHXLOG-YUMQZZPRSA-N 0 0 239.237 2.157 10 0 BEAERN Cc1cccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1C ZINC000399262468 323202036 /nfs/dbraw/zinc/20/20/36/323202036.db2.gz UMDYOUXNHWLEBY-AAEUAGOBSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C(C)(C)C1CCC1 ZINC000399328987 323203921 /nfs/dbraw/zinc/20/39/21/323203921.db2.gz XUEDDZOMVCZHNU-CMPLNLGQSA-N 0 0 239.359 2.185 10 0 BEAERN CSCC(=O)N[C@@H](C)CCC(C)C ZINC000042369109 323247235 /nfs/dbraw/zinc/24/72/35/323247235.db2.gz OFSPZYNZLDRIPX-VIFPVBQESA-N 0 0 203.351 2.290 10 0 BEAERN CCCn1nccc1NC(=O)N[C@H](C)CC ZINC000043723126 323298136 /nfs/dbraw/zinc/29/81/36/323298136.db2.gz HSOXGKRLVKPDGN-SECBINFHSA-N 0 0 224.308 2.213 10 0 BEAERN c1nc2cc(CNc3nncs3)ccc2[nH]1 ZINC000309333645 323343944 /nfs/dbraw/zinc/34/39/44/323343944.db2.gz ILXCPJHOKHNIHB-UHFFFAOYSA-N 0 0 231.284 2.027 10 0 BEAERN Nc1ccc2nc(N[C@@H]3CCCOC3)sc2c1 ZINC000109544956 487960180 /nfs/dbraw/zinc/96/01/80/487960180.db2.gz CHZJFBQSLBJTSJ-SECBINFHSA-N 0 0 249.339 2.469 10 0 BEAERN CNC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000045637038 323845157 /nfs/dbraw/zinc/84/51/57/323845157.db2.gz RSDIRWYCIWUNON-GARJFASQSA-N 0 0 212.337 2.376 10 0 BEAERN Cc1[nH]nc(Br)c1C(F)(F)F ZINC000536947825 323949889 /nfs/dbraw/zinc/94/98/89/323949889.db2.gz PNTYIKUQBSRRLI-UHFFFAOYSA-N 0 0 228.999 2.499 10 0 BEAERN O=Cc1sc(Br)nc1Cl ZINC000536948635 323950610 /nfs/dbraw/zinc/95/06/10/323950610.db2.gz BFBUJEAWHKPSRJ-UHFFFAOYSA-N 0 0 226.482 2.372 10 0 BEAERN COc1cc(C)ccc1C(=O)C(F)F ZINC000536949515 323951335 /nfs/dbraw/zinc/95/13/35/323951335.db2.gz BMCRTPVDWIONHD-UHFFFAOYSA-N 0 0 200.184 2.451 10 0 BEAERN O=c1cc(-c2ccccc2)nc2n1CCCC2 ZINC000536951710 323957362 /nfs/dbraw/zinc/95/73/62/323957362.db2.gz VEIRQZSIYJHASN-UHFFFAOYSA-N 0 0 226.279 2.247 10 0 BEAERN CCOC(=O)[C@H](CC(=O)C(C)(C)CC)C(C)=O ZINC000536954919 323964469 /nfs/dbraw/zinc/96/44/69/323964469.db2.gz RONDEWWVFRYNBT-SNVBAGLBSA-N 0 0 242.315 2.150 10 0 BEAERN O=C1NC[C@@H](c2ccccc2O)C12CCCC2 ZINC000536955167 323965148 /nfs/dbraw/zinc/96/51/48/323965148.db2.gz UXTQORLNDPVJSY-NSHDSACASA-N 0 0 231.295 2.166 10 0 BEAERN [NH3+]C[C@H](c1ccccc1O)C1(C(=O)[O-])CCCC1 ZINC000536955160 323965342 /nfs/dbraw/zinc/96/53/42/323965342.db2.gz UVXOJNZIIJXYDE-LLVKDONJSA-N 0 0 249.310 2.080 10 0 BEAERN Cc1ccc(C)c2c1OC[C@@](O)(C(C)C)O2 ZINC000536956191 323967064 /nfs/dbraw/zinc/96/70/64/323967064.db2.gz UZKUKWISXGTDEM-ZDUSSCGKSA-N 0 0 222.284 2.419 10 0 BEAERN CCC(=O)Nc1nc2cccnc2s1 ZINC000536957570 323968952 /nfs/dbraw/zinc/96/89/52/323968952.db2.gz FUDSLOPVINCYRR-UHFFFAOYSA-N 0 0 207.258 2.040 10 0 BEAERN COC(=O)[C@]12CCO[C@H]1CC[C@H](C(C)C)C2 ZINC000536959615 323971826 /nfs/dbraw/zinc/97/18/26/323971826.db2.gz LIDVSOFTYDUBTQ-GVXVVHGQSA-N 0 0 226.316 2.391 10 0 BEAERN CC[C@H](C)C[C@@H](ON)C(=O)OC(C)(C)C ZINC000536960675 323973986 /nfs/dbraw/zinc/97/39/86/323973986.db2.gz RLKCORLXGHJCPE-DTWKUNHWSA-N 0 0 217.309 2.023 10 0 BEAERN CN(CCC1CC1)C(=O)NCc1cscn1 ZINC000120545175 323988399 /nfs/dbraw/zinc/98/83/99/323988399.db2.gz VGNKULNXHRMPTB-UHFFFAOYSA-N 0 0 239.344 2.085 10 0 BEAERN CCOC(=O)c1ccc(N(N)C(C)(C)C)cc1 ZINC000221254214 487962607 /nfs/dbraw/zinc/96/26/07/487962607.db2.gz JZOWLUZHTQXPKH-UHFFFAOYSA-N 0 0 236.315 2.342 10 0 BEAERN CC[C@@H](NC(=O)N(C)CC)c1nccs1 ZINC000125305489 324637883 /nfs/dbraw/zinc/63/78/83/324637883.db2.gz DBUQMPZPPPPHTL-MRVPVSSYSA-N 0 0 227.333 2.256 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000125837709 324658626 /nfs/dbraw/zinc/65/86/26/324658626.db2.gz KOOJHNJVHOGPNA-WHOHXGKFSA-N 0 0 240.347 2.042 10 0 BEAERN CCC(CC)CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000127203111 324754268 /nfs/dbraw/zinc/75/42/68/324754268.db2.gz XJOSGGASOXKLOJ-KOLCDFICSA-N 0 0 213.321 2.106 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc3c[nH]nc3c2)O1 ZINC000127401729 324765185 /nfs/dbraw/zinc/76/51/85/324765185.db2.gz LMULQBKJQAHWAG-QPUJVOFHSA-N 0 0 245.282 2.069 10 0 BEAERN CC(C)OC(=O)N1CCSC(C)(C)C1 ZINC000127867025 324792797 /nfs/dbraw/zinc/79/27/97/324792797.db2.gz SKBXAPQNMJIDPM-UHFFFAOYSA-N 0 0 217.334 2.359 10 0 BEAERN CCCn1nccc1NC(=O)[C@H](CC)SC ZINC000128354382 324828964 /nfs/dbraw/zinc/82/89/64/324828964.db2.gz PMBSIHJCKQYDDS-VIFPVBQESA-N 0 0 241.360 2.373 10 0 BEAERN COc1cccc(CNC(=O)C[C@H]2C=CCC2)n1 ZINC000128435383 324838786 /nfs/dbraw/zinc/83/87/86/324838786.db2.gz AKLHINHCHXAEOZ-NSHDSACASA-N 0 0 246.310 2.063 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)N1CCCC1 ZINC000130135391 325017041 /nfs/dbraw/zinc/01/70/41/325017041.db2.gz CAYGUBHZCLQMNM-UHFFFAOYSA-N 0 0 211.305 2.004 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2N(C)C)O1 ZINC000130172709 325021026 /nfs/dbraw/zinc/02/10/26/325021026.db2.gz WFZARMUXWUQSRK-GWCFXTLKSA-N 0 0 248.326 2.259 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000130281372 325034027 /nfs/dbraw/zinc/03/40/27/325034027.db2.gz PBXFZJJNSMHGJP-NXEZZACHSA-N 0 0 237.299 2.146 10 0 BEAERN CC[C@@H](C)C(=O)NCc1cccc(C)n1 ZINC000130483070 325057308 /nfs/dbraw/zinc/05/73/08/325057308.db2.gz HCEIHQWDDAHRGW-SECBINFHSA-N 0 0 206.289 2.052 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCCC2=CCCC2)O1 ZINC000131121459 325119240 /nfs/dbraw/zinc/11/92/40/325119240.db2.gz GAYBWUZUIYDUAX-PWSUYJOCSA-N 0 0 223.316 2.171 10 0 BEAERN C(SC1CCOCC1)c1nnc(C2CC2)o1 ZINC000131194201 325124478 /nfs/dbraw/zinc/12/44/78/325124478.db2.gz IKLPGYLARXAAKG-UHFFFAOYSA-N 0 0 240.328 2.359 10 0 BEAERN Cc1cc(=O)[nH]cc1C(=O)N(C(C)C)C1CCC1 ZINC000131230343 325127422 /nfs/dbraw/zinc/12/74/22/325127422.db2.gz PMKOKUMNKCDMBO-UHFFFAOYSA-N 0 0 248.326 2.086 10 0 BEAERN CCc1nc(CSC2CCOCC2)no1 ZINC000131273686 325133556 /nfs/dbraw/zinc/13/35/56/325133556.db2.gz UDPAEHUAIWTNLG-UHFFFAOYSA-N 0 0 228.317 2.044 10 0 BEAERN CCc1onc(C)c1C(=O)N1CC[C@@H](CC)C1 ZINC000131686773 325177992 /nfs/dbraw/zinc/17/79/92/325177992.db2.gz KXALTRAACFHAKW-SNVBAGLBSA-N 0 0 236.315 2.418 10 0 BEAERN CCCCOCC(=O)Nc1c(C)onc1CC ZINC000132656347 325233034 /nfs/dbraw/zinc/23/30/34/325233034.db2.gz PBNURCSZHQPZAK-UHFFFAOYSA-N 0 0 240.303 2.301 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H](C)CSC ZINC000132667136 325234426 /nfs/dbraw/zinc/23/44/26/325234426.db2.gz JZDJTJQJTZDWCJ-ZETCQYMHSA-N 0 0 242.344 2.483 10 0 BEAERN CCc1noc(C)c1NC(=O)c1ccoc1 ZINC000133294949 325284580 /nfs/dbraw/zinc/28/45/80/325284580.db2.gz WREQLVMHJRGBRQ-UHFFFAOYSA-N 0 0 220.228 2.391 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](C)OC ZINC000133355674 325289638 /nfs/dbraw/zinc/28/96/38/325289638.db2.gz DPBRKSIIKUCKFY-WDEREUQCSA-N 0 0 227.348 2.449 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000075528313 325299469 /nfs/dbraw/zinc/29/94/69/325299469.db2.gz GLUKMKWIFBNVPQ-OIBJUYFYSA-N 0 0 209.676 2.478 10 0 BEAERN CC[C@H](C)OCC(=O)NC(C)(CC)CC ZINC000133644880 325306290 /nfs/dbraw/zinc/30/62/90/325306290.db2.gz JAWNXYIKBJZDAM-JTQLQIEISA-N 0 0 215.337 2.496 10 0 BEAERN OC1CC(CNc2nccc3occc32)C1 ZINC000236479684 325314253 /nfs/dbraw/zinc/31/42/53/325314253.db2.gz MGQKSGNZCDHXED-UHFFFAOYSA-N 0 0 218.256 2.011 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000076000948 325325704 /nfs/dbraw/zinc/32/57/04/325325704.db2.gz IXAKWUQYJAOJCS-JOYOIKCWSA-N 0 0 241.294 2.215 10 0 BEAERN O=C(NC1CCC1)N1CCc2ccccc2CC1 ZINC000134904800 325382037 /nfs/dbraw/zinc/38/20/37/325382037.db2.gz IJWWNKSZCQPYRU-UHFFFAOYSA-N 0 0 244.338 2.349 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)N1CCOCC1 ZINC000134914640 325382600 /nfs/dbraw/zinc/38/26/00/325382600.db2.gz JQHUXYWUZNVIBA-LBPRGKRZSA-N 0 0 240.347 2.093 10 0 BEAERN COCc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)o1 ZINC000135230229 325401291 /nfs/dbraw/zinc/40/12/91/325401291.db2.gz DPTCVRSUSSRZBT-NXEZZACHSA-N 0 0 237.299 2.439 10 0 BEAERN CC[C@]1(C)CN(C(=O)[C@@H]2CC2(C)C)CCO1 ZINC000135289135 325404978 /nfs/dbraw/zinc/40/49/78/325404978.db2.gz SHWQOKVAMTZEIN-GXFFZTMASA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)[C@H](C)C2)O1 ZINC000245920269 325533855 /nfs/dbraw/zinc/53/38/55/325533855.db2.gz NSCOMJKIGZCJAN-DDHJBXDOSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000247383592 325590463 /nfs/dbraw/zinc/59/04/63/325590463.db2.gz FUNNHEPLFAPNPF-RHYQMDGZSA-N 0 0 222.332 2.369 10 0 BEAERN O=C([O-])[C@H](C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000211485092 487970377 /nfs/dbraw/zinc/97/03/77/487970377.db2.gz PNPWGVWBKFMOGZ-VIFPVBQESA-N 0 0 247.216 2.039 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)O1)C1CCC1 ZINC000156065685 326218143 /nfs/dbraw/zinc/21/81/43/326218143.db2.gz YDFAFPWJQLVSLU-PWSUYJOCSA-N 0 0 225.332 2.343 10 0 BEAERN CCc1cnc(NC(=O)[C@H]2CC[C@H](C)O2)s1 ZINC000157684936 326290576 /nfs/dbraw/zinc/29/05/76/326290576.db2.gz VMQVPVZFKDLJOT-IONNQARKSA-N 0 0 240.328 2.212 10 0 BEAERN CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000677576252 488078395 /nfs/dbraw/zinc/07/83/95/488078395.db2.gz WRWJPQWGPVUONO-VHSXEESVSA-N 0 0 249.301 2.089 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ncn1 ZINC000393220724 488087610 /nfs/dbraw/zinc/08/76/10/488087610.db2.gz UEVPHBQUYSIIHW-HBNTYKKESA-N 0 0 203.289 2.386 10 0 BEAERN Cc1ccc(NC(=O)N2CCC[C@H](O)[C@H]2C)cc1 ZINC000296100444 488110427 /nfs/dbraw/zinc/11/04/27/488110427.db2.gz GAYJTDZJGFHSCG-YPMHNXCESA-N 0 0 248.326 2.372 10 0 BEAERN CC[C@H](NC(=O)C1(OC)CCCC1)C(C)C ZINC000683126428 488116031 /nfs/dbraw/zinc/11/60/31/488116031.db2.gz PPHSMWVJNWVCNH-NSHDSACASA-N 0 0 227.348 2.496 10 0 BEAERN CCCn1nccc1CN[C@H](C)c1ncc(C)o1 ZINC000231740514 487472654 /nfs/dbraw/zinc/47/26/54/487472654.db2.gz SDPUOSZPUHPBEJ-LLVKDONJSA-N 0 0 248.330 2.440 10 0 BEAERN CO[C@H](C)[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000231739729 487472819 /nfs/dbraw/zinc/47/28/19/487472819.db2.gz ZURLPJGBLINZJQ-LPEHRKFASA-N 0 0 212.293 2.057 10 0 BEAERN O[C@@H]1CCC[C@@H](CN2CCCC(F)(F)C2)C1 ZINC000405109373 487474813 /nfs/dbraw/zinc/47/48/13/487474813.db2.gz MPEADNOAJCNXAJ-GHMZBOCLSA-N 0 0 233.302 2.269 10 0 BEAERN O[C@@H]1CCC[C@H](CN2CCCC(F)(F)C2)C1 ZINC000405109391 487474918 /nfs/dbraw/zinc/47/49/18/487474918.db2.gz MPEADNOAJCNXAJ-WDEREUQCSA-N 0 0 233.302 2.269 10 0 BEAERN CC[C@H](C)[N@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000304175010 487480236 /nfs/dbraw/zinc/48/02/36/487480236.db2.gz MYDWIZIJYGIPLT-JTQLQIEISA-N 0 0 236.315 2.400 10 0 BEAERN COCc1nc(CNC2(C(F)F)CC2)cs1 ZINC000381418558 487508229 /nfs/dbraw/zinc/50/82/29/487508229.db2.gz WQDSXPDMGVEJNK-UHFFFAOYSA-N 0 0 248.298 2.177 10 0 BEAERN Nc1ncnc2cc(-c3ccccc3)[nH]c21 ZINC000146472190 488138727 /nfs/dbraw/zinc/13/87/27/488138727.db2.gz ZFGNZMZPHLGRNX-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN C[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000394780112 488154988 /nfs/dbraw/zinc/15/49/88/488154988.db2.gz GAVTVIMRFWTDCF-UMSGYPCISA-N 0 0 239.359 2.465 10 0 BEAERN C[C@H]1CC[C@H](O)CN1c1cc(C(C)(C)C)ncn1 ZINC000399232444 488228945 /nfs/dbraw/zinc/22/89/45/488228945.db2.gz COKKOUHPTOWJFA-QWRGUYRKSA-N 0 0 249.358 2.124 10 0 BEAERN CNc1ccccc1C(=O)NCC[C@@H]1CCCO1 ZINC000042033018 488271098 /nfs/dbraw/zinc/27/10/98/488271098.db2.gz RZHMHGDZRMVIBY-NSHDSACASA-N 0 0 248.326 2.027 10 0 BEAERN CCC1(NC(=O)N[C@@H](COC)C2CC2)CCC1 ZINC000120039902 490054494 /nfs/dbraw/zinc/05/44/94/490054494.db2.gz DLDUNDUTOKNKRT-NSHDSACASA-N 0 0 240.347 2.043 10 0 BEAERN C[C@@H](CO)CN1CCCc2ccccc21 ZINC000120581571 490064992 /nfs/dbraw/zinc/06/49/92/490064992.db2.gz IPKRTTGWWYSGJH-LLVKDONJSA-N 0 0 205.301 2.068 10 0 BEAERN CCc1nn(C)cc1CN[C@H](C)c1ncc(C)o1 ZINC000221171664 490180956 /nfs/dbraw/zinc/18/09/56/490180956.db2.gz AWZSGFOQXWFXPB-SNVBAGLBSA-N 0 0 248.330 2.130 10 0 BEAERN CCc1nn(C)cc1CN[C@@H](C)c1ncc(C)o1 ZINC000221171614 490181120 /nfs/dbraw/zinc/18/11/20/490181120.db2.gz AWZSGFOQXWFXPB-JTQLQIEISA-N 0 0 248.330 2.130 10 0 BEAERN O=c1cccc([C@@H](O)c2ccc(F)cc2)[nH]1 ZINC000584639566 490181556 /nfs/dbraw/zinc/18/15/56/490181556.db2.gz HHRGFLXIHVVFJT-LBPRGKRZSA-N 0 0 219.215 2.008 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)O1 ZINC000246071819 490202387 /nfs/dbraw/zinc/20/23/87/490202387.db2.gz SEFILMHQPJMJOX-WHOHXGKFSA-N 0 0 225.332 2.249 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CCO[C@H](C)C1 ZINC000413218028 490274361 /nfs/dbraw/zinc/27/43/61/490274361.db2.gz GLHQDTMTOWDZBB-NEPJUHHUSA-N 0 0 249.358 2.249 10 0 BEAERN CCCCN(C)C(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000220572038 490613241 /nfs/dbraw/zinc/61/32/41/490613241.db2.gz RRCWJNMPBZDIAW-NSHDSACASA-N 0 0 249.358 2.082 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000133385156 491106111 /nfs/dbraw/zinc/10/61/11/491106111.db2.gz MEQNKZLGBBQELW-NWDGAFQWSA-N 0 0 239.359 2.450 10 0 BEAERN C[C@@H](O)c1c(F)cncc1Br ZINC000166744665 491114010 /nfs/dbraw/zinc/11/40/10/491114010.db2.gz TWSVIKMZGVJRFX-SCSAIBSYSA-N 0 0 220.041 2.037 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)c1ccccc1F ZINC000307518687 491123195 /nfs/dbraw/zinc/12/31/95/491123195.db2.gz VKLJMCKHZKJNMB-KCJUWKMLSA-N 0 0 212.289 2.396 10 0 BEAERN O=Cc1cc(C=O)c(Cl)nc1Cl ZINC000075603872 491124941 /nfs/dbraw/zinc/12/49/41/491124941.db2.gz GQBTUJFOPZQXJK-UHFFFAOYSA-N 0 0 204.012 2.013 10 0 BEAERN COC(=O)c1cccc2ccc(O)cc21 ZINC000075602241 491124949 /nfs/dbraw/zinc/12/49/49/491124949.db2.gz KFDJEXPTZAZSNA-UHFFFAOYSA-N 0 0 202.209 2.332 10 0 BEAERN CCC[C@H](O)Cc1nc([C@H]2CC2(C)C)no1 ZINC000230933822 491131104 /nfs/dbraw/zinc/13/11/04/491131104.db2.gz IRBVHPKEMYJIKS-DTWKUNHWSA-N 0 0 224.304 2.287 10 0 BEAERN CC[C@@H](C)C(=O)CSc1nnc2ccccn21 ZINC000133147689 491147236 /nfs/dbraw/zinc/14/72/36/491147236.db2.gz NXSOUEQQAVYKLT-SECBINFHSA-N 0 0 249.339 2.437 10 0 BEAERN Cc1noc(NCc2scnc2C2CC2)n1 ZINC000309703578 491155361 /nfs/dbraw/zinc/15/53/61/491155361.db2.gz NNAMTHNWKNMWLV-UHFFFAOYSA-N 0 0 236.300 2.324 10 0 BEAERN CC(C)(C)NC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000020256976 491156687 /nfs/dbraw/zinc/15/66/87/491156687.db2.gz QKQYIKQUHOEETE-NSHDSACASA-N 0 0 247.342 2.121 10 0 BEAERN CCOCn1nc(C)c(Br)c1C ZINC000062701672 520225791 /nfs/dbraw/zinc/22/57/91/520225791.db2.gz GZMHEPWREIBLLH-UHFFFAOYSA-N 0 0 233.109 2.256 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCCC2(C)C ZINC000234599771 582461470 /nfs/dbraw/zinc/46/14/70/582461470.db2.gz LAGPCBWBOIDRCD-QWRGUYRKSA-N 0 0 232.707 2.464 10 0 BEAERN CC(=O)c1cnc([C@@H](O)C2(C)CC2)s1 ZINC000757124913 582499729 /nfs/dbraw/zinc/49/97/29/582499729.db2.gz DRBUYIHIBSZDKI-MRVPVSSYSA-N 0 0 211.286 2.179 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757132962 582508633 /nfs/dbraw/zinc/50/86/33/582508633.db2.gz SGUBVWKVUKIDCX-UWVGGRQHSA-N 0 0 218.300 2.360 10 0 BEAERN C[C@@H]1C[C@@H](C)CC2(C1)NCC(F)(F)CO2 ZINC000757150269 582533948 /nfs/dbraw/zinc/53/39/48/582533948.db2.gz PHFGNJIXKBOWFR-RKDXNWHRSA-N 0 0 219.275 2.394 10 0 BEAERN C[C@H]1C[C@H](C)CC2(C1)NCC(F)(F)CO2 ZINC000757150243 582533725 /nfs/dbraw/zinc/53/37/25/582533725.db2.gz PHFGNJIXKBOWFR-IUCAKERBSA-N 0 0 219.275 2.394 10 0 BEAERN CC[C@H](O)[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153098 582536662 /nfs/dbraw/zinc/53/66/62/582536662.db2.gz NDTQXYVCYQJDRC-NWDGAFQWSA-N 0 0 228.719 2.323 10 0 BEAERN CC[C@@H]1CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757153866 582537953 /nfs/dbraw/zinc/53/79/53/582537953.db2.gz ZPZSBZKSFDYYRE-TZMCWYRMSA-N 0 0 239.359 2.452 10 0 BEAERN CC1(C)CC[NH2+]C2(CC(CF)(CF)C2)O1 ZINC000757153658 582538166 /nfs/dbraw/zinc/53/81/66/582538166.db2.gz YNZKRPZCTJPSET-UHFFFAOYSA-N 0 0 219.275 2.190 10 0 BEAERN CC1(C)CC[C@@]2(C1)NCC(F)(F)CO2 ZINC000757154378 582538869 /nfs/dbraw/zinc/53/88/69/582538869.db2.gz ZZYADTKELUFIGH-SNVBAGLBSA-N 0 0 205.248 2.148 10 0 BEAERN C[C@H]1CC(C)(C)O[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757154258 582539071 /nfs/dbraw/zinc/53/90/71/582539071.db2.gz ZQIVZGSPZXDTCQ-JOYOIKCWSA-N 0 0 213.321 2.059 10 0 BEAERN Cc1ccoc1CSc1cnc(N)cn1 ZINC000757165724 582546893 /nfs/dbraw/zinc/54/68/93/582546893.db2.gz NMYAWYWJHRZEAL-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CC(C)c1c(N)cnn1-c1ccc(O)cc1 ZINC000757170451 582550636 /nfs/dbraw/zinc/55/06/36/582550636.db2.gz FYFQRQRYBGAWHZ-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN CCc1ccc(CSC[C@H](C)O)o1 ZINC000757168765 582549988 /nfs/dbraw/zinc/54/99/88/582549988.db2.gz CZELZPPVJIYMDU-QMMMGPOBSA-N 0 0 200.303 2.456 10 0 BEAERN Cc1c([C@H]2CC[C@@H](C)O2)nn2c1NCCC2 ZINC000235381234 582572098 /nfs/dbraw/zinc/57/20/98/582572098.db2.gz ZDCANSWJBXXDBY-PSASIEDQSA-N 0 0 221.304 2.247 10 0 BEAERN CCOC(=O)c1nc([C@@H](C)CC)ncc1C ZINC000300979783 582598920 /nfs/dbraw/zinc/59/89/20/582598920.db2.gz UCFNBEPXMKCCCZ-QMMMGPOBSA-N 0 0 222.288 2.475 10 0 BEAERN Cc1ccc(CCNC(=O)OC(C)C)nc1 ZINC000496498358 533799246 /nfs/dbraw/zinc/79/92/46/533799246.db2.gz PGQJNGCELZHRQL-UHFFFAOYSA-N 0 0 222.288 2.067 10 0 BEAERN O=C1C[C@H](c2cc(Cl)ccc2F)CN1 ZINC000238636943 582672301 /nfs/dbraw/zinc/67/23/01/582672301.db2.gz KUXRDNWIXQEQHH-LURJTMIESA-N 0 0 213.639 2.083 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000481447282 534196720 /nfs/dbraw/zinc/19/67/20/534196720.db2.gz ANRUMOIHEXZFOR-FIQHERPVSA-N 0 0 240.347 2.042 10 0 BEAERN CCCC(=O)N(C)Cc1ccccc1N ZINC000035360583 517549153 /nfs/dbraw/zinc/54/91/53/517549153.db2.gz NGXIIAFAKMVABU-UHFFFAOYSA-N 0 0 206.289 2.027 10 0 BEAERN CC(C)(C)C(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334740931 534430620 /nfs/dbraw/zinc/43/06/20/534430620.db2.gz INFLUIZPFIZKMB-MNOVXSKESA-N 0 0 237.343 2.060 10 0 BEAERN C=C/C=C/[C@H]1OC[C@@H](/C=C/C=C/C)[C@H]1O ZINC000238752324 534449796 /nfs/dbraw/zinc/44/97/96/534449796.db2.gz DTLKTHCXEMHTIQ-XUVITJOASA-N 0 0 206.285 2.237 10 0 BEAERN CCCC[N@@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1C ZINC000252475016 520597125 /nfs/dbraw/zinc/59/71/25/520597125.db2.gz QPCJRHIFMVADPO-GHMZBOCLSA-N 0 0 213.321 2.362 10 0 BEAERN CCOC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000026442106 520987946 /nfs/dbraw/zinc/98/79/46/520987946.db2.gz DKJZZNZJNFVRFY-QMMMGPOBSA-N 0 0 233.271 2.370 10 0 BEAERN CCOC(=O)[C@@H](c1nc(C)no1)c1ccccc1 ZINC000057353582 521087572 /nfs/dbraw/zinc/08/75/72/521087572.db2.gz AHARZYAWPQTGOB-LLVKDONJSA-N 0 0 246.266 2.073 10 0 BEAERN CCCc1noc([C@H](CC)C(=O)OCC)n1 ZINC000057353542 521593030 /nfs/dbraw/zinc/59/30/30/521593030.db2.gz ASVNDMUXCZTOEB-QMMMGPOBSA-N 0 0 226.276 2.079 10 0 BEAERN CN(C)[C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000095532630 522065852 /nfs/dbraw/zinc/06/58/52/522065852.db2.gz ZKSNDJCJKXIBGR-VIFPVBQESA-N 0 0 247.125 2.081 10 0 BEAERN CN(C)[C@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000095532610 522069803 /nfs/dbraw/zinc/06/98/03/522069803.db2.gz QLNMCPXORYUZHQ-VIFPVBQESA-N 0 0 247.125 2.081 10 0 BEAERN COc1cccc([C@H](O)c2c(C)noc2C)c1 ZINC000062709881 524166846 /nfs/dbraw/zinc/16/68/46/524166846.db2.gz NRXWYNIHIITYKA-ZDUSSCGKSA-N 0 0 233.267 2.382 10 0 BEAERN Cc1c(C(=O)[O-])oc2c1[C@@H]([NH3+])CC(C)(C)C2 ZINC000057347091 525668283 /nfs/dbraw/zinc/66/82/83/525668283.db2.gz FYWGCTWJISHLAK-ZETCQYMHSA-N 0 0 223.272 2.258 10 0 BEAERN Cn1cc(SCCn2cccc2)cn1 ZINC000095095583 527291892 /nfs/dbraw/zinc/29/18/92/527291892.db2.gz WRCFZNCUDGHNFT-UHFFFAOYSA-N 0 0 207.302 2.014 10 0 BEAERN N[C@@H](c1noc(C(F)F)n1)c1ccccc1 ZINC000095532840 527340246 /nfs/dbraw/zinc/34/02/46/527340246.db2.gz HUACGUUOCUGNOA-SSDOTTSWSA-N 0 0 225.198 2.055 10 0 BEAERN O=c1[nH]ccn1-c1cccc(OC(F)(F)F)c1 ZINC000229014839 527446004 /nfs/dbraw/zinc/44/60/04/527446004.db2.gz QEFWRXANLKVMJI-UHFFFAOYSA-N 0 0 244.172 2.064 10 0 BEAERN OC[C@@H](O)c1c(Cl)cccc1Cl ZINC000095532628 527585454 /nfs/dbraw/zinc/58/54/54/527585454.db2.gz OSXLJRDNRLOXHQ-SSDOTTSWSA-N 0 0 207.056 2.019 10 0 BEAERN OC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095532621 527612111 /nfs/dbraw/zinc/61/21/11/527612111.db2.gz ZBSQIDHJYGHSTA-QMMMGPOBSA-N 0 0 207.056 2.019 10 0 BEAERN CCCC[C@H](CC)C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000401952453 528900458 /nfs/dbraw/zinc/90/04/58/528900458.db2.gz MESFVTUZKMHBRU-FRRDWIJNSA-N 0 0 241.375 2.432 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000174744335 528967006 /nfs/dbraw/zinc/96/70/06/528967006.db2.gz IQQHBYLSIFLMEV-GARJFASQSA-N 0 0 224.348 2.328 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)[C@@H]1CCCn2ccnc21 ZINC000081803051 535151736 /nfs/dbraw/zinc/15/17/36/535151736.db2.gz GCJOJEPGQFATGN-NWDGAFQWSA-N 0 0 249.358 2.169 10 0 BEAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC=C(F)C1 ZINC000336125821 535203986 /nfs/dbraw/zinc/20/39/86/535203986.db2.gz TWJKXJMSZFJTRN-VXGBXAGGSA-N 0 0 241.306 2.133 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248474021 535960391 /nfs/dbraw/zinc/96/03/91/535960391.db2.gz LOQNWQFWXIJHOR-KKOKHZNYSA-N 0 0 225.332 2.201 10 0 BEAERN CC[C@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000248374424 536148664 /nfs/dbraw/zinc/14/86/64/536148664.db2.gz QHYKKHNLSHPDDE-VHSXEESVSA-N 0 0 226.345 2.315 10 0 BEAERN CC[C@H]1CN(c2ccc(N)cc2C)CCO1 ZINC000057549715 536160880 /nfs/dbraw/zinc/16/08/80/536160880.db2.gz CHNQPBNDDFYANL-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@H](NC(=O)N[C@H]1CCCOCC1)C(C)C ZINC000408117964 536172842 /nfs/dbraw/zinc/17/28/42/536172842.db2.gz KKPAISMRJFKTDF-RYUDHWBXSA-N 0 0 242.363 2.289 10 0 BEAERN COC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113496037 536371666 /nfs/dbraw/zinc/37/16/66/536371666.db2.gz XBLWPCYAMFYCRA-UHFFFAOYSA-N 0 0 235.214 2.196 10 0 BEAERN CN1CCCc2cc(N)cc(Br)c21 ZINC000096988429 536396855 /nfs/dbraw/zinc/39/68/55/536396855.db2.gz HALCLLKKSDVMAP-UHFFFAOYSA-N 0 0 241.132 2.414 10 0 BEAERN CCC[C@@H](C)c1nc(C(=O)OCC)no1 ZINC000071047682 537886317 /nfs/dbraw/zinc/88/63/17/537886317.db2.gz GXPGIPGQDJDOLF-SSDOTTSWSA-N 0 0 212.249 2.150 10 0 BEAERN CC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685962886 537944696 /nfs/dbraw/zinc/94/46/96/537944696.db2.gz YPQNRSNEVYNHOE-MWLCHTKSSA-N 0 0 241.331 2.469 10 0 BEAERN CC(C)NC(=O)[C@@H]1CCCc2ccccc2N1 ZINC000725262932 538089315 /nfs/dbraw/zinc/08/93/15/538089315.db2.gz TWLXAWRTVDZRJH-ZDUSSCGKSA-N 0 0 232.327 2.328 10 0 BEAERN CC(F)(F)Cn1ncc2ccc(N)cc21 ZINC000704717251 582950047 /nfs/dbraw/zinc/95/00/47/582950047.db2.gz DZYJGMQTDWIVQO-UHFFFAOYSA-N 0 0 211.215 2.274 10 0 BEAERN CC[C@@H]1C[C@H]1Cn1cc(Br)c(N)n1 ZINC000723052009 566280816 /nfs/dbraw/zinc/28/08/16/566280816.db2.gz MBXRUTNNSOFQRU-RQJHMYQMSA-N 0 0 244.136 2.274 10 0 BEAERN Cc1c(N)ccc(=O)n1[C@H](C)CC(C)C ZINC000725249043 566301613 /nfs/dbraw/zinc/30/16/13/566301613.db2.gz VOGUGPULXNBAPK-SECBINFHSA-N 0 0 208.305 2.346 10 0 BEAERN CC[C@@H]1CN(C(=O)OC2CC2)C[C@H](CC)O1 ZINC000669381208 566425668 /nfs/dbraw/zinc/42/56/68/566425668.db2.gz BKVOXMQBRAAONE-AOOOYVTPSA-N 0 0 227.304 2.175 10 0 BEAERN Nc1cn(CC2CCCCC2)ccc1=O ZINC000133150865 566456351 /nfs/dbraw/zinc/45/63/51/566456351.db2.gz SKZUCZPDAFZWNJ-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN c1cnc2nn3c(c2c1)NC[C@H]1CCC[C@@H]13 ZINC000232483159 566491140 /nfs/dbraw/zinc/49/11/40/566491140.db2.gz PAABZYNGEHJEKN-SCZZXKLOSA-N 0 0 214.272 2.198 10 0 BEAERN c1csc([C@H]2CCNc3ccnn32)c1 ZINC000232480364 566491342 /nfs/dbraw/zinc/49/13/42/566491342.db2.gz LJSYFQXLIPLNRD-MRVPVSSYSA-N 0 0 205.286 2.350 10 0 BEAERN COc1cc(C)c2c(OC)cc(=O)oc2c1 ZINC000002585776 560188334 /nfs/dbraw/zinc/18/83/34/560188334.db2.gz LLTOPKQGFAAMKH-UHFFFAOYSA-N 0 0 220.224 2.119 10 0 biogenic,in-vitro BEAERN Cc1cn(CCSC(F)(F)F)nc1N ZINC000123448499 583085958 /nfs/dbraw/zinc/08/59/58/583085958.db2.gz PBQSJLOHEDQLFX-UHFFFAOYSA-N 0 0 225.239 2.027 10 0 BEAERN CC(C)[C@H]1CC[C@H](C)C[C@@]12OC[C@@H](CO)O2 ZINC000031475165 574414031 /nfs/dbraw/zinc/41/40/31/574414031.db2.gz ZBJCYZPANVLBRK-LOWDOPEQSA-N 0 0 228.332 2.183 10 0 endogenous,in-man BEAERN Cc1cnc(COC(=O)/C=C/C(C)(C)C)cn1 ZINC000111677666 588766380 /nfs/dbraw/zinc/76/63/80/588766380.db2.gz UEDPTBNYZJHSPS-AATRIKPKSA-N 0 0 234.299 2.431 10 0 BEAERN Cc1nnc([C@@H](C)OC(=O)C[C@H]2C=CCC2)o1 ZINC000112157170 588783604 /nfs/dbraw/zinc/78/36/04/588783604.db2.gz NDNJVYUSSNSGPM-SCZZXKLOSA-N 0 0 236.271 2.339 10 0 BEAERN CC(C)(C)SCCOC(=O)COCC1CC1 ZINC000112763651 588816301 /nfs/dbraw/zinc/81/63/01/588816301.db2.gz MUFMOWGYWNNBSL-UHFFFAOYSA-N 0 0 246.372 2.488 10 0 BEAERN Cn1nccc1C(=O)OCCSC(C)(C)C ZINC000112763597 588816351 /nfs/dbraw/zinc/81/63/51/588816351.db2.gz DPWUAYHCXVQHKZ-UHFFFAOYSA-N 0 0 242.344 2.109 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)C1CCCCC1 ZINC000234590714 582460265 /nfs/dbraw/zinc/46/02/65/582460265.db2.gz FPONEIZKTLIZLG-QWRGUYRKSA-N 0 0 232.707 2.464 10 0 BEAERN Cc1nc(C(=O)C2CC2)sc1C1OCCO1 ZINC000757124792 582499225 /nfs/dbraw/zinc/49/92/25/582499225.db2.gz OVWNAEWMTUNWMS-UHFFFAOYSA-N 0 0 239.296 2.090 10 0 BEAERN CCCC[C@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757124033 582499435 /nfs/dbraw/zinc/49/94/35/582499435.db2.gz BREVUUJQGAJMRA-QMMMGPOBSA-N 0 0 243.328 2.462 10 0 BEAERN C[C@H](CCCO)Nc1ccc2c(c1)CCN2C ZINC000757124072 582499609 /nfs/dbraw/zinc/49/96/09/582499609.db2.gz BNWFDLVSJMAOEQ-LLVKDONJSA-N 0 0 234.343 2.252 10 0 BEAERN CC[C@H](C)[C@H](O)c1ncc(C(=O)OC)s1 ZINC000757125737 582499882 /nfs/dbraw/zinc/49/98/82/582499882.db2.gz TUXBJQFAMSUFAQ-XPUUQOCRSA-N 0 0 229.301 2.009 10 0 BEAERN Cc1nc([C@@H](O)CC(C)C)sc1C=O ZINC000757129355 582503914 /nfs/dbraw/zinc/50/39/14/582503914.db2.gz MZUJZCRPQBAUSS-QMMMGPOBSA-N 0 0 213.302 2.344 10 0 BEAERN CC[C@H](C)[C@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757132932 582508411 /nfs/dbraw/zinc/50/84/11/582508411.db2.gz VHPHXEKCUIARHN-XPUUQOCRSA-N 0 0 243.328 2.318 10 0 BEAERN CC(=O)c1cnc([C@H](O)[C@H]2C[C@H]2C)s1 ZINC000757133923 582510228 /nfs/dbraw/zinc/51/02/28/582510228.db2.gz XSHQJIIZBMBHCU-XZKCWBSRSA-N 0 0 211.286 2.035 10 0 BEAERN C[C@@H]1CCC[C@@]2(C1)NCC(F)(F)CO2 ZINC000757150310 582534839 /nfs/dbraw/zinc/53/48/39/582534839.db2.gz PKYKJBHZHGJQHR-PSASIEDQSA-N 0 0 205.248 2.148 10 0 BEAERN C[C@@H]1O[C@]2(CCCSC2)[NH2+]CC1(C)C ZINC000757153528 582538353 /nfs/dbraw/zinc/53/83/53/582538353.db2.gz XEXVTGXWDPFJOA-ONGXEEELSA-N 0 0 215.362 2.244 10 0 BEAERN Cc1nn(-c2cccnc2C=O)cc1Cl ZINC000757164063 582546169 /nfs/dbraw/zinc/54/61/69/582546169.db2.gz BYLRNEJWPYOHLV-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cc1ccoc1CSCCCON ZINC000757166890 582548146 /nfs/dbraw/zinc/54/81/46/582548146.db2.gz SQHOCAMQMIFGGJ-UHFFFAOYSA-N 0 0 201.291 2.102 10 0 BEAERN CCc1ccc([C@@H]2C[N@H+](CC)C[C@H]2C(=O)[O-])cc1 ZINC000757187506 582555371 /nfs/dbraw/zinc/55/53/71/582555371.db2.gz GRUGFSGWMKGAOU-UONOGXRCSA-N 0 0 247.338 2.369 10 0 BEAERN CCc1ccccc1[C@H]1C[N@H+](CC)C[C@H]1C(=O)[O-] ZINC000757189856 582555935 /nfs/dbraw/zinc/55/59/35/582555935.db2.gz KXTOALSYWLWJQZ-ZIAGYGMSSA-N 0 0 247.338 2.369 10 0 BEAERN CCOC(=O)c1nc(N)sc1CC(C)C ZINC000757188749 582556138 /nfs/dbraw/zinc/55/61/38/582556138.db2.gz OBFRHVXIBLGFGH-UHFFFAOYSA-N 0 0 228.317 2.101 10 0 BEAERN Cc1cccc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])c1Cl ZINC000757193435 582557527 /nfs/dbraw/zinc/55/75/27/582557527.db2.gz PSLFKRVFZHCJJW-NXEZZACHSA-N 0 0 239.702 2.036 10 0 BEAERN Cc1c(Cl)cccc1[C@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757195082 582558204 /nfs/dbraw/zinc/55/82/04/582558204.db2.gz ZHDVBUBUGZNTDN-NXEZZACHSA-N 0 0 239.702 2.036 10 0 BEAERN C[C@@H]1CC[NH2+]C[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757217841 582561496 /nfs/dbraw/zinc/56/14/96/582561496.db2.gz SPRMXUYRSNGPMX-SKDRFNHKSA-N 0 0 219.284 2.098 10 0 BEAERN Cc1ccsc1-c1nc2n(n1)C[C@H](C)CN2 ZINC000235364333 582567726 /nfs/dbraw/zinc/56/77/26/582567726.db2.gz ZWMJCWQWTVRLJG-SSDOTTSWSA-N 0 0 234.328 2.377 10 0 BEAERN Cc1ccc2c(nn3c2NCC[C@@H]3C)n1 ZINC000235570041 582594565 /nfs/dbraw/zinc/59/45/65/582594565.db2.gz LSTPYESMSVICIY-QMMMGPOBSA-N 0 0 202.261 2.116 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2nc(C(F)(F)F)nn21 ZINC000235696235 582603339 /nfs/dbraw/zinc/60/33/39/582603339.db2.gz POILLCBYTMRUDV-CRCLSJGQSA-N 0 0 220.198 2.062 10 0 BEAERN Cc1cnn2c1NCC[C@@H]2c1nccs1 ZINC000235971178 582633314 /nfs/dbraw/zinc/63/33/14/582633314.db2.gz JIDLMFJMQGBOGK-MRVPVSSYSA-N 0 0 220.301 2.053 10 0 BEAERN Cc1ccc([C@H]2CNc3ccnn3C2)cc1 ZINC000235983127 582634813 /nfs/dbraw/zinc/63/48/13/582634813.db2.gz RGROOOHXIMUOST-LBPRGKRZSA-N 0 0 213.284 2.401 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@@H](C)CC2 ZINC000234600173 582642628 /nfs/dbraw/zinc/64/26/28/582642628.db2.gz WPUVWTAERXMFBE-MIMYLULJSA-N 0 0 232.707 2.464 10 0 BEAERN Nc1ccc2cnn(C/C=C/Cl)c2c1 ZINC000236353382 582653710 /nfs/dbraw/zinc/65/37/10/582653710.db2.gz PGPWYOBHPYASFQ-DAFODLJHSA-N 0 0 207.664 2.371 10 0 BEAERN CC(=O)C1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000104421337 582668874 /nfs/dbraw/zinc/66/88/74/582668874.db2.gz WLESZHNUINWZLB-UHFFFAOYSA-N 0 0 247.342 2.405 10 0 BEAERN O[C@H](CCCC(F)(F)F)c1cn[nH]c1 ZINC000379596305 582682596 /nfs/dbraw/zinc/68/25/96/582682596.db2.gz FMXOENFBOIHNAD-SSDOTTSWSA-N 0 0 208.183 2.176 10 0 BEAERN O[C@H](CCc1ccsc1)c1cn[nH]c1 ZINC000379601859 582682599 /nfs/dbraw/zinc/68/25/99/582682599.db2.gz MGTWGOZYKRGYLH-SNVBAGLBSA-N 0 0 208.286 2.137 10 0 BEAERN Cc1nn(CC2CC(F)(F)C2)c(C)c1N ZINC000383136914 582710949 /nfs/dbraw/zinc/71/09/49/582710949.db2.gz DRUOYMTVJUHJHM-UHFFFAOYSA-N 0 0 215.247 2.127 10 0 BEAERN CCc1cc2ncnn2c(Br)c1 ZINC000725248400 582738925 /nfs/dbraw/zinc/73/89/25/582738925.db2.gz UGSVKMYXYZDGKG-UHFFFAOYSA-N 0 0 226.077 2.054 10 0 BEAERN O=C(OCC(F)(F)F)[C@@H]1COc2ccccc21 ZINC000113654514 588848066 /nfs/dbraw/zinc/84/80/66/588848066.db2.gz OLQZACMPCVGSNZ-MRVPVSSYSA-N 0 0 246.184 2.268 10 0 BEAERN Cc1occc1COC(=O)c1ncoc1C ZINC000113677000 588848156 /nfs/dbraw/zinc/84/81/56/588848156.db2.gz ININZYCRSROYBS-UHFFFAOYSA-N 0 0 221.212 2.241 10 0 BEAERN CCCOCCOC(=O)C[C@H]1C=CCC1 ZINC000107414616 582798256 /nfs/dbraw/zinc/79/82/56/582798256.db2.gz JFUBACXHEDWBJG-NSHDSACASA-N 0 0 212.289 2.313 10 0 BEAERN CC(=O)NCCCCCC(=O)O[C@@H](C)C(C)C ZINC000127801331 582820980 /nfs/dbraw/zinc/82/09/80/582820980.db2.gz FEVUNGRYYFVLKY-NSHDSACASA-N 0 0 243.347 2.271 10 0 BEAERN COCCC1(C(=O)O[C@H](C)C(C)C)CC1 ZINC000125538743 582856989 /nfs/dbraw/zinc/85/69/89/582856989.db2.gz ATXFRWQWQNRWJW-SNVBAGLBSA-N 0 0 214.305 2.391 10 0 BEAERN COC(=O)c1nnn(C(C)C)c1C1CCCC1 ZINC000260683924 582881243 /nfs/dbraw/zinc/88/12/43/582881243.db2.gz YPWOMXOBNBYOPC-UHFFFAOYSA-N 0 0 237.303 2.303 10 0 BEAERN CCOC(=O)c1n[nH]nc1C1CCCCCC1 ZINC000260692597 582881395 /nfs/dbraw/zinc/88/13/95/582881395.db2.gz KBIMRGGKRCSXFP-UHFFFAOYSA-N 0 0 237.303 2.419 10 0 BEAERN C[C@]1(Cn2cc(Cl)c(N)n2)CC1(F)F ZINC000701724534 582920853 /nfs/dbraw/zinc/92/08/53/582920853.db2.gz LRXFCRHZQNZEKX-SSDOTTSWSA-N 0 0 221.638 2.164 10 0 BEAERN COC(CC(=O)[C@@]12C[C@@H]1CCCC2)OC ZINC000709155518 582993186 /nfs/dbraw/zinc/99/31/86/582993186.db2.gz SFYHMPMQVNBCQY-CABZTGNLSA-N 0 0 212.289 2.145 10 0 BEAERN CCOC(=O)CC(=O)[C@]12C[C@H]1CCCC2 ZINC000709245278 582994423 /nfs/dbraw/zinc/99/44/23/582994423.db2.gz SJIWRWZTCLBITM-BXKDBHETSA-N 0 0 210.273 2.089 10 0 BEAERN CC(C(=O)C(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397584197 583102531 /nfs/dbraw/zinc/10/25/31/583102531.db2.gz IKUFVYIDDLLKJX-WDSKDSINSA-N 0 0 204.216 2.072 10 0 BEAERN CC[C@H](C(=O)C(F)F)C(=O)[C@H]1CC1(C)C ZINC000397717402 583107674 /nfs/dbraw/zinc/10/76/74/583107674.db2.gz VCUSUVQKZDKFLP-NKWVEPMBSA-N 0 0 218.243 2.462 10 0 BEAERN CC[C@@H](C(=O)C(F)F)C(=O)[C@H]1CC1(C)C ZINC000397717404 583108086 /nfs/dbraw/zinc/10/80/86/583108086.db2.gz VCUSUVQKZDKFLP-RNFRBKRXSA-N 0 0 218.243 2.462 10 0 BEAERN Cc1nn2c(c1C)NCC[C@H]2[C@H]1CCCO1 ZINC000236005339 583210660 /nfs/dbraw/zinc/21/06/60/583210660.db2.gz ODCAPOQQXXMRGS-WDEREUQCSA-N 0 0 221.304 2.036 10 0 BEAERN Clc1cccc(-c2nc3n(n2)CCCN3)c1 ZINC000236061965 583211126 /nfs/dbraw/zinc/21/11/26/583211126.db2.gz NMEYJORKUXGYDA-UHFFFAOYSA-N 0 0 234.690 2.414 10 0 BEAERN CC1(OC(=O)CCOC2CCOCC2)CCC1 ZINC000127148260 583375617 /nfs/dbraw/zinc/37/56/17/583375617.db2.gz RCTGXBGOLZJJHL-UHFFFAOYSA-N 0 0 242.315 2.058 10 0 BEAERN CC(C)C1CCC([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000310442837 583587138 /nfs/dbraw/zinc/58/71/38/583587138.db2.gz XGFNLJPRJUNPBX-IFWUJCSASA-N 0 0 239.359 2.369 10 0 BEAERN O=C(Nc1ccc2c(c1)CCO2)N1CC2(CC2)C1 ZINC000334950322 583597049 /nfs/dbraw/zinc/59/70/49/583597049.db2.gz JKAZTUGABCKNST-UHFFFAOYSA-N 0 0 244.294 2.249 10 0 BEAERN Cc1occc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000895196144 583622790 /nfs/dbraw/zinc/62/27/90/583622790.db2.gz SLWZCMHQKSXIAQ-LBPRGKRZSA-N 0 0 246.314 2.433 10 0 BEAERN COC[C@H](OC(=O)c1occc1C)C1CC1 ZINC000131995651 583835617 /nfs/dbraw/zinc/83/56/17/583835617.db2.gz NKNHNOHOGAQYPP-JTQLQIEISA-N 0 0 224.256 2.170 10 0 BEAERN CC(C)[C@@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000203287901 583967013 /nfs/dbraw/zinc/96/70/13/583967013.db2.gz BNOQFAHMVRLXEF-SFYZADRCSA-N 0 0 218.243 2.462 10 0 BEAERN Cc1ncsc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250953892 584203067 /nfs/dbraw/zinc/20/30/67/584203067.db2.gz IXODDNSREYSEKP-ILWJIGKKSA-N 0 0 236.340 2.114 10 0 BEAERN CCc1noc(C(=O)N[C@H](C)c2ccc(C)o2)n1 ZINC000902612163 584643336 /nfs/dbraw/zinc/64/33/36/584643336.db2.gz GVBWNURDCIVTNZ-MRVPVSSYSA-N 0 0 249.270 2.024 10 0 BEAERN CCc1cc(Br)nc(CC)n1 ZINC000575597042 584914270 /nfs/dbraw/zinc/91/42/70/584914270.db2.gz DNANZEXHAUOALE-UHFFFAOYSA-N 0 0 215.094 2.364 10 0 BEAERN CC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000139284620 585029060 /nfs/dbraw/zinc/02/90/60/585029060.db2.gz GUXURKSRCUGCCA-VHSXEESVSA-N 0 0 227.304 2.269 10 0 BEAERN Cc1ccc(CC(=O)OC[C@H]2CCCO2)s1 ZINC000103331024 585098049 /nfs/dbraw/zinc/09/80/49/585098049.db2.gz RMKNWCYIIAHHPK-SNVBAGLBSA-N 0 0 240.324 2.321 10 0 BEAERN CCOCCOC(=O)Cc1ccc(C)s1 ZINC000103330930 585098058 /nfs/dbraw/zinc/09/80/58/585098058.db2.gz UIOMGTRPWUZBJD-UHFFFAOYSA-N 0 0 228.313 2.179 10 0 BEAERN COC[C@@H](C)C(=O)OCCC(C)(C)C ZINC000103552568 585336037 /nfs/dbraw/zinc/33/60/37/585336037.db2.gz ZOOJLUBMJMIKKM-SECBINFHSA-N 0 0 202.294 2.248 10 0 BEAERN CC[C@@H]1CCN1Cc1cnc(Cl)cn1 ZINC000795649655 586089998 /nfs/dbraw/zinc/08/99/98/586089998.db2.gz QARHELFKIRZGMP-SECBINFHSA-N 0 0 211.696 2.114 10 0 BEAERN CCc1cccc(OC(=O)[C@@H](C)COC)c1 ZINC000103637030 586168549 /nfs/dbraw/zinc/16/85/49/586168549.db2.gz WOMRFGXQLICXQM-JTQLQIEISA-N 0 0 222.284 2.437 10 0 BEAERN CCNc1nc(-c2cscn2)nc2[nH]ccc21 ZINC000757564211 586254130 /nfs/dbraw/zinc/25/41/30/586254130.db2.gz CILVZSCTSMNCJQ-UHFFFAOYSA-N 0 0 245.311 2.465 10 0 BEAERN COC[C@H](C)C(=O)OCCCOC1CCCC1 ZINC000103658712 586271502 /nfs/dbraw/zinc/27/15/02/586271502.db2.gz YLYNOZFJYSNZOL-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN CC[C@H](C)OC(=O)c1ccc(COC)o1 ZINC000103666751 586287954 /nfs/dbraw/zinc/28/79/54/586287954.db2.gz IWPQJOXDQQEADB-QMMMGPOBSA-N 0 0 212.245 2.381 10 0 BEAERN CCNc1nc([C@H]2CCCO2)nc2[nH]ccc21 ZINC000757569644 586368224 /nfs/dbraw/zinc/36/82/24/586368224.db2.gz UMGQMMHLYVLMBH-SECBINFHSA-N 0 0 232.287 2.193 10 0 BEAERN CCNc1nc(COC(C)C)nc2[nH]ccc21 ZINC000757569657 586371462 /nfs/dbraw/zinc/37/14/62/586371462.db2.gz UTTHKKFTEWHNLG-UHFFFAOYSA-N 0 0 234.303 2.266 10 0 BEAERN CC(=O)c1cc(C(=O)OC[C@H]2C[C@@H]2C)n(C)c1 ZINC000103686899 586411219 /nfs/dbraw/zinc/41/12/19/586411219.db2.gz INMQABCBFTWDEK-GZMMTYOYSA-N 0 0 235.283 2.041 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)C1CC1 ZINC000103708633 586424635 /nfs/dbraw/zinc/42/46/35/586424635.db2.gz NQDLTTGBMNBBMA-UHFFFAOYSA-N 0 0 234.251 2.097 10 0 BEAERN CCOC(=O)C=C1CC(CF)(CF)C1 ZINC000757184119 586434263 /nfs/dbraw/zinc/43/42/63/586434263.db2.gz JJJONIWFBZLYBZ-UHFFFAOYSA-N 0 0 204.216 2.195 10 0 BEAERN [NH3+][C@@H]1CCC2(CC2)c2cccc(C(=O)[O-])c21 ZINC000757187345 586434591 /nfs/dbraw/zinc/43/45/91/586434591.db2.gz KSRGZZSDRJSFCU-SNVBAGLBSA-N 0 0 217.268 2.210 10 0 BEAERN CCOC(=O)/C=C1/COc2ccccc2C1 ZINC000757190027 586435465 /nfs/dbraw/zinc/43/54/65/586435465.db2.gz JKCILHUITBSVSA-CSKARUKUSA-N 0 0 218.252 2.111 10 0 BEAERN Cc1c2c(c(Cl)cc1Cl)NC(=O)C2=O ZINC000757193010 586435997 /nfs/dbraw/zinc/43/59/97/586435997.db2.gz YDJGRQDEHSMNOZ-UHFFFAOYSA-N 0 0 230.050 2.437 10 0 BEAERN Cc1cccc([C@H]2C[N@H+](C)C[C@H]2C(=O)[O-])c1C ZINC000757192402 586436050 /nfs/dbraw/zinc/43/60/50/586436050.db2.gz OJPDHQQLFMAREL-CHWSQXEVSA-N 0 0 233.311 2.033 10 0 BEAERN Cc1nc2[nH]c(=O)ccc2cc1Br ZINC000757195588 586436303 /nfs/dbraw/zinc/43/63/03/586436303.db2.gz HWEMWGQYDCWKJU-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN COC(=O)CCCSc1cncc(C)c1 ZINC000757212208 586438898 /nfs/dbraw/zinc/43/88/98/586438898.db2.gz MIWANAGQEXDQII-UHFFFAOYSA-N 0 0 225.313 2.435 10 0 BEAERN CC(=O)c1cccc([C@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757212556 586439682 /nfs/dbraw/zinc/43/96/82/586439682.db2.gz IVHXNZVNZCEIKV-CHWSQXEVSA-N 0 0 247.294 2.015 10 0 BEAERN CCOC(=O)CCSc1cncc(C)c1 ZINC000757216383 586441044 /nfs/dbraw/zinc/44/10/44/586441044.db2.gz ZRHKFXQPRAAUPA-UHFFFAOYSA-N 0 0 225.313 2.435 10 0 BEAERN O=C([O-])[C@@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757217670 586441830 /nfs/dbraw/zinc/44/18/30/586441830.db2.gz RXJDQERRRBFUNA-PWSUYJOCSA-N 0 0 244.294 2.293 10 0 BEAERN O=C([O-])[C@H]1CCC[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757218261 586441917 /nfs/dbraw/zinc/44/19/17/586441917.db2.gz UTCNDZROXCHYDC-NWDGAFQWSA-N 0 0 244.294 2.436 10 0 BEAERN CC(=O)c1ccc([C@H]2[NH2+]CCC[C@@H]2C(=O)[O-])cc1 ZINC000757218908 586442216 /nfs/dbraw/zinc/44/22/16/586442216.db2.gz XKUIGVVIHSTKER-QWHCGFSZSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757232668 586443092 /nfs/dbraw/zinc/44/30/92/586443092.db2.gz JCXHPZKZEJMURQ-SKDRFNHKSA-N 0 0 219.284 2.445 10 0 BEAERN Cc1sc([C@@H]2CCC[NH2+]C2)cc1C(=O)[O-] ZINC000757237405 586443563 /nfs/dbraw/zinc/44/35/63/586443563.db2.gz PZRHEXPLZAKYML-MRVPVSSYSA-N 0 0 225.313 2.222 10 0 BEAERN C[C@@H]1C[NH2+]C[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236333 586443625 /nfs/dbraw/zinc/44/36/25/586443625.db2.gz OFNZDGXZLJVIMT-JOYOIKCWSA-N 0 0 219.284 2.098 10 0 BEAERN c1cc2c(nc(CC3CC3)nc2NC2CC2)[nH]1 ZINC000757564884 586461101 /nfs/dbraw/zinc/46/11/01/586461101.db2.gz GVEANRZPAMNAFQ-UHFFFAOYSA-N 0 0 228.299 2.485 10 0 BEAERN CC(=O)c1cccc(OC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000121410603 587804765 /nfs/dbraw/zinc/80/47/65/587804765.db2.gz WKTNUKBOAQNWPZ-TVQRCGJNSA-N 0 0 248.278 2.362 10 0 BEAERN COc1ccnc(COC(=O)C[C@H]2C=CCC2)c1 ZINC000102150231 587807437 /nfs/dbraw/zinc/80/74/37/587807437.db2.gz YAWQTXPZJDJCPZ-NSHDSACASA-N 0 0 247.294 2.490 10 0 BEAERN COc1cc(OC)cc(OC(=O)[C@H]2C[C@@H]2C)c1 ZINC000121420034 587807983 /nfs/dbraw/zinc/80/79/83/587807983.db2.gz XTQRAPGSMVQYQC-UFBFGSQYSA-N 0 0 236.267 2.265 10 0 BEAERN Cc1cc(C)cc(OC(=O)c2cnn(C)c2)c1 ZINC000102706958 587852876 /nfs/dbraw/zinc/85/28/76/587852876.db2.gz QNVDXKOIDINHTA-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN CC(C)(C)C(=O)OCCc1cccnc1 ZINC000105555816 588200461 /nfs/dbraw/zinc/20/04/61/588200461.db2.gz KVTQNKCHMMMLRM-UHFFFAOYSA-N 0 0 207.273 2.213 10 0 BEAERN O=C(NC1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000005684730 588256714 /nfs/dbraw/zinc/25/67/14/588256714.db2.gz ZQIBNNWNKQLLNN-NWDGAFQWSA-N 0 0 201.269 2.069 10 0 BEAERN CCc1ccc(C(=O)O[C@H]2CCOC2)s1 ZINC000107013626 588322497 /nfs/dbraw/zinc/32/24/97/588322497.db2.gz MDGHXRMXGBVUGA-QMMMGPOBSA-N 0 0 226.297 2.256 10 0 BEAERN CCCOCCOC(=O)/C=C/c1ccco1 ZINC000107413121 588362723 /nfs/dbraw/zinc/36/27/23/588362723.db2.gz NQMKGKKRYQFYPQ-AATRIKPKSA-N 0 0 224.256 2.263 10 0 BEAERN CCCOCCOC(=O)[C@H]1CC1(Cl)Cl ZINC000107415252 588362941 /nfs/dbraw/zinc/36/29/41/588362941.db2.gz WKIQZTOEHJOCAX-SSDOTTSWSA-N 0 0 241.114 2.150 10 0 BEAERN C[C@@]1(COC(=O)c2ccccc2)CCOC1 ZINC000107500241 588371176 /nfs/dbraw/zinc/37/11/76/588371176.db2.gz SZNRJRUXDMDINL-CYBMUJFWSA-N 0 0 220.268 2.270 10 0 BEAERN O=C(COC(=O)c1cc(F)cc(F)c1)C1CC1 ZINC000109368502 588556971 /nfs/dbraw/zinc/55/69/71/588556971.db2.gz KVMCYNPJERVASN-UHFFFAOYSA-N 0 0 240.205 2.101 10 0 BEAERN CCC1(COC(=O)[C@@H](C)C2CC2)COC1 ZINC000118972154 589225941 /nfs/dbraw/zinc/22/59/41/589225941.db2.gz KNDXGQRBHDVXIM-VIFPVBQESA-N 0 0 212.289 2.002 10 0 BEAERN CCC1(COC(=O)CC(C)C)COC1 ZINC000118992365 589227158 /nfs/dbraw/zinc/22/71/58/589227158.db2.gz OEANNRSSGVCTDE-UHFFFAOYSA-N 0 0 200.278 2.002 10 0 BEAERN CCc1oc(C(=O)O[C@H]2CCOC2)cc1C ZINC000119806594 589334184 /nfs/dbraw/zinc/33/41/84/589334184.db2.gz QDZORDZMNVGYPO-VIFPVBQESA-N 0 0 224.256 2.096 10 0 BEAERN CCc1oc(C(=O)O[C@@H]2CCOC2)cc1C ZINC000119806473 589334634 /nfs/dbraw/zinc/33/46/34/589334634.db2.gz QDZORDZMNVGYPO-SECBINFHSA-N 0 0 224.256 2.096 10 0 BEAERN CSCCCC(=O)Nc1ccc(Cl)nn1 ZINC000119940700 589348930 /nfs/dbraw/zinc/34/89/30/589348930.db2.gz KEHOUDKRLGRRBW-UHFFFAOYSA-N 0 0 245.735 2.212 10 0 BEAERN CC(C)(C)SCC(=O)OCCc1cn[nH]c1 ZINC000120254863 589397361 /nfs/dbraw/zinc/39/73/61/589397361.db2.gz KWLVEBLTWNCJFQ-UHFFFAOYSA-N 0 0 242.344 2.027 10 0 BEAERN CCc1oc(C(=O)O[C@@H](C)COC)cc1C ZINC000120256950 589397478 /nfs/dbraw/zinc/39/74/78/589397478.db2.gz IORDJJCUSWOTQE-VIFPVBQESA-N 0 0 226.272 2.342 10 0 BEAERN CCCCC(=O)OCC(=O)NC1CCCCC1 ZINC000120284423 589400828 /nfs/dbraw/zinc/40/08/28/589400828.db2.gz BEESCDQRAYBOLN-UHFFFAOYSA-N 0 0 241.331 2.169 10 0 BEAERN Cn1nccc1CCC(=O)Oc1ccc(F)cc1 ZINC000120540869 589434113 /nfs/dbraw/zinc/43/41/13/589434113.db2.gz ZRPFIKBHZYLGPK-UHFFFAOYSA-N 0 0 248.257 2.097 10 0 BEAERN O=C(Cc1ccccc1F)OCC(F)(F)F ZINC000122295353 589576985 /nfs/dbraw/zinc/57/69/85/589576985.db2.gz JKFZPJLXCPMWCC-UHFFFAOYSA-N 0 0 236.164 2.474 10 0 BEAERN CCCCCC[C@@H](C)CC(=O)N1CC(CO)C1 ZINC000122592366 589606338 /nfs/dbraw/zinc/60/63/38/589606338.db2.gz IZVBPMRPLDKCHZ-GFCCVEGCSA-N 0 0 241.375 2.434 10 0 BEAERN Clc1ccc(N[C@H]2CCCOC2)cn1 ZINC000122830683 589636369 /nfs/dbraw/zinc/63/63/69/589636369.db2.gz UAGXFOYPRFUHAU-VIFPVBQESA-N 0 0 212.680 2.326 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)C(C)C)C1 ZINC000123135117 589665930 /nfs/dbraw/zinc/66/59/30/589665930.db2.gz ATBIDDCASQBTHS-ZJUUUORDSA-N 0 0 200.278 2.143 10 0 BEAERN CCOCCOCC(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000123397505 589696121 /nfs/dbraw/zinc/69/61/21/589696121.db2.gz KBQKLIUOWJRFPH-VXGBXAGGSA-N 0 0 244.331 2.161 10 0 BEAERN CC1(C)CCCN(C(=O)N2CCCC2)C1 ZINC000123409363 589701763 /nfs/dbraw/zinc/70/17/63/589701763.db2.gz NBVMADOPEMLFTB-UHFFFAOYSA-N 0 0 210.321 2.324 10 0 BEAERN Cn1ccnc1COC(=O)CC1CCCCC1 ZINC000123636435 589758758 /nfs/dbraw/zinc/75/87/58/589758758.db2.gz JZUMFERNWWSYBO-UHFFFAOYSA-N 0 0 236.315 2.434 10 0 BEAERN Cc1ncsc1COC(=O)[C@H]1CC[C@@H](C)O1 ZINC000124167409 589957298 /nfs/dbraw/zinc/95/72/98/589957298.db2.gz LODASPDFPBCUBY-VXNVDRBHSA-N 0 0 241.312 2.062 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC[C@H]2CC=CCC2)O1 ZINC000124170806 589957918 /nfs/dbraw/zinc/95/79/18/589957918.db2.gz ABCQUXLEXACJCP-GRYCIOLGSA-N 0 0 224.300 2.453 10 0 BEAERN COC[C@@H](C)OC(=O)CCCC[C@H](C)C(C)=O ZINC000124264253 589971271 /nfs/dbraw/zinc/97/12/71/589971271.db2.gz WNNGZJQTWOFDCT-WDEREUQCSA-N 0 0 244.331 2.350 10 0 BEAERN CC(=O)c1ccccc1-n1ccnc1C ZINC000019871223 590023284 /nfs/dbraw/zinc/02/32/84/590023284.db2.gz SKLJLSMKVYLWFS-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CCCCSCCC(=O)O[C@H]1CCOC1 ZINC000124740380 590080621 /nfs/dbraw/zinc/08/06/21/590080621.db2.gz OFMFYDZRBAZURL-JTQLQIEISA-N 0 0 232.345 2.242 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Oc2ccccc2)O1 ZINC000124783340 590085367 /nfs/dbraw/zinc/08/53/67/590085367.db2.gz JPSYBXFQVSLCIF-ONGXEEELSA-N 0 0 206.241 2.160 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Oc2ccccc2)O1 ZINC000124782609 590085626 /nfs/dbraw/zinc/08/56/26/590085626.db2.gz JPSYBXFQVSLCIF-MWLCHTKSSA-N 0 0 206.241 2.160 10 0 BEAERN C[C@@H](O)c1ccc(N2CCC[C@H]2C)nc1 ZINC000124920733 590102017 /nfs/dbraw/zinc/10/20/17/590102017.db2.gz BYAJPJJWNFIQAN-NXEZZACHSA-N 0 0 206.289 2.124 10 0 BEAERN Cc1nn(-c2cncc(C=O)c2)c(C)c1Cl ZINC000125000612 590108172 /nfs/dbraw/zinc/10/81/72/590108172.db2.gz VJUAMOFMXPUWSO-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN FC(F)Cn1cc(NCc2ccoc2)cn1 ZINC000125135055 590125630 /nfs/dbraw/zinc/12/56/30/590125630.db2.gz OHXLAFLGKWCKGL-UHFFFAOYSA-N 0 0 227.214 2.353 10 0 BEAERN CCNC(=S)N[C@@H](CC)c1nccs1 ZINC000125191342 590151595 /nfs/dbraw/zinc/15/15/95/590151595.db2.gz DVMQYHAYTUMUHX-ZETCQYMHSA-N 0 0 229.374 2.078 10 0 BEAERN CC[C@@H](NC(=S)NC(C)C)c1nccs1 ZINC000125192956 590151605 /nfs/dbraw/zinc/15/16/05/590151605.db2.gz FWAMNXTWSURSLR-MRVPVSSYSA-N 0 0 243.401 2.467 10 0 BEAERN COc1cccc([C@H]2C[C@H]2C(=O)OCCF)c1 ZINC000125601309 590173548 /nfs/dbraw/zinc/17/35/48/590173548.db2.gz MJAISBCJKVGTES-VXGBXAGGSA-N 0 0 238.258 2.311 10 0 BEAERN CC[C@@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125658817 590176872 /nfs/dbraw/zinc/17/68/72/590176872.db2.gz OWYFSAIENKDUKJ-SECBINFHSA-N 0 0 222.288 2.175 10 0 BEAERN CC[C@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125659034 590176966 /nfs/dbraw/zinc/17/69/66/590176966.db2.gz OWYFSAIENKDUKJ-VIFPVBQESA-N 0 0 222.288 2.175 10 0 BEAERN Cc1ccc(CC(=O)OCCF)s1 ZINC000125697732 590182046 /nfs/dbraw/zinc/18/20/46/590182046.db2.gz CUIRHYHDTWHKCM-UHFFFAOYSA-N 0 0 202.250 2.112 10 0 BEAERN Fc1cccnc1CNCc1ccoc1 ZINC000125774344 590189026 /nfs/dbraw/zinc/18/90/26/590189026.db2.gz OZNISMBHLAEKEX-UHFFFAOYSA-N 0 0 206.220 2.104 10 0 BEAERN O=C(OC1(C2CC2)CC1)c1cnn2c1CCCC2 ZINC000125803853 590190976 /nfs/dbraw/zinc/19/09/76/590190976.db2.gz XGYXEWAEWRUYNL-UHFFFAOYSA-N 0 0 246.310 2.319 10 0 BEAERN Cc1cc(F)ccc1C(=O)OCC(=O)C1CC1 ZINC000125830804 590191781 /nfs/dbraw/zinc/19/17/81/590191781.db2.gz RTTZIIFWRPPQJB-UHFFFAOYSA-N 0 0 236.242 2.270 10 0 BEAERN Nc1cccc(-c2nc(C[C@@H]3CCCO3)no2)c1 ZINC000021518767 590192086 /nfs/dbraw/zinc/19/20/86/590192086.db2.gz WTBKKYSNEXAILP-NSHDSACASA-N 0 0 245.282 2.040 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)Nc1conc1C ZINC000888730921 590202940 /nfs/dbraw/zinc/20/29/40/590202940.db2.gz UXUSMWQZXZDLDI-DTWKUNHWSA-N 0 0 223.276 2.293 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cccnc2Cl)O1 ZINC000126462581 590313115 /nfs/dbraw/zinc/31/31/15/590313115.db2.gz VQIJQEQYSRBHPP-VXNVDRBHSA-N 0 0 240.690 2.241 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2cccnc2Cl)O1 ZINC000126463264 590313188 /nfs/dbraw/zinc/31/31/88/590313188.db2.gz VQIJQEQYSRBHPP-CBAPKCEASA-N 0 0 240.690 2.241 10 0 BEAERN Cc1ccc([C@@H](C)N[C@H]2CCOC2=O)cc1F ZINC000126593378 590356895 /nfs/dbraw/zinc/35/68/95/590356895.db2.gz CRNKKOHMSUVNCM-SKDRFNHKSA-N 0 0 237.274 2.100 10 0 BEAERN C[C@@H](OC(=O)Cc1ccoc1)C1CCOCC1 ZINC000126830046 590463542 /nfs/dbraw/zinc/46/35/42/590463542.db2.gz UYDDVJORVLCCQV-SNVBAGLBSA-N 0 0 238.283 2.180 10 0 BEAERN CCc1cc(C)c(C(=O)OC[C@H]2CCOC2)o1 ZINC000126856206 590474977 /nfs/dbraw/zinc/47/49/77/590474977.db2.gz KEQGLKSSJKFMJI-JTQLQIEISA-N 0 0 238.283 2.344 10 0 BEAERN CCC[C@@H](CC)OC(=O)CCc1ccnn1C ZINC000126981008 590526581 /nfs/dbraw/zinc/52/65/81/590526581.db2.gz BEDUVCOLBGEIOD-GFCCVEGCSA-N 0 0 238.331 2.475 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)nc2)O1 ZINC000127134266 590573803 /nfs/dbraw/zinc/57/38/03/590573803.db2.gz QYRJWRCZFJSHNE-VXNVDRBHSA-N 0 0 240.690 2.241 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(N(C)C)cc2)O1 ZINC000127198580 590589711 /nfs/dbraw/zinc/58/97/11/590589711.db2.gz JUEUTJVRZNECCU-ZWNOBZJWSA-N 0 0 248.326 2.259 10 0 BEAERN CCOCCCCOC(=O)[C@H]1CC1(C)C ZINC000127437027 590658806 /nfs/dbraw/zinc/65/88/06/590658806.db2.gz WBRDPQSPOWOUDH-SNVBAGLBSA-N 0 0 214.305 2.392 10 0 BEAERN C[C@@H](CCn1cccn1)OC(=O)Cc1ccoc1 ZINC000127520806 590700319 /nfs/dbraw/zinc/70/03/19/590700319.db2.gz XRIGMOXZEWUYCU-NSHDSACASA-N 0 0 248.282 2.041 10 0 BEAERN CC(=O)c1cc(C(=O)O[C@H](C)C(C)C)n(C)c1 ZINC000127547367 590704021 /nfs/dbraw/zinc/70/40/21/590704021.db2.gz GMVSRMCPKKRSGU-SNVBAGLBSA-N 0 0 237.299 2.429 10 0 BEAERN COC[C@@H](OC(=O)[C@H]1CC1(C)C)C1CC1 ZINC000128035358 590880948 /nfs/dbraw/zinc/88/09/48/590880948.db2.gz UOHQNSDUZPSGJC-NXEZZACHSA-N 0 0 212.289 2.001 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@H](C)OCC1CC1 ZINC000128074132 590886051 /nfs/dbraw/zinc/88/60/51/590886051.db2.gz KDIPVYCKDDDKQZ-ZJUUUORDSA-N 0 0 214.305 2.389 10 0 BEAERN C[C@@H]1CN(C(=O)N2CCCCC2)C[C@@H](C)S1 ZINC000128312736 590977657 /nfs/dbraw/zinc/97/76/57/590977657.db2.gz FASZSQJXNYADRC-GHMZBOCLSA-N 0 0 242.388 2.418 10 0 BEAERN CC[C@H]1CN(C(=O)N2CCCCC2)CCS1 ZINC000128318188 590978400 /nfs/dbraw/zinc/97/84/00/590978400.db2.gz DBPJQEOBVJPBHV-NSHDSACASA-N 0 0 242.388 2.420 10 0 BEAERN C=COCCOC(=O)c1ccc(C)c(F)c1 ZINC000128357703 591002909 /nfs/dbraw/zinc/00/29/09/591002909.db2.gz CNIJNKFGPPTRMX-UHFFFAOYSA-N 0 0 224.231 2.451 10 0 BEAERN C=COCCOC(=O)c1sccc1OC ZINC000128367822 591010316 /nfs/dbraw/zinc/01/03/16/591010316.db2.gz VYHIGEABHLPGKW-UHFFFAOYSA-N 0 0 228.269 2.074 10 0 BEAERN O=C1CCN[C@H]1c1cccc(Br)c1 ZINC000211077543 591112847 /nfs/dbraw/zinc/11/28/47/591112847.db2.gz UEWJIOFNJMTQLL-JTQLQIEISA-N 0 0 240.100 2.053 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)NN1CCCCC1 ZINC000128552462 591120183 /nfs/dbraw/zinc/12/01/83/591120183.db2.gz WRFFRFLUKLNRAW-CYBMUJFWSA-N 0 0 246.354 2.382 10 0 BEAERN C[C@H](O)c1ccn(Cc2csc(C3CC3)n2)n1 ZINC000128805815 591164761 /nfs/dbraw/zinc/16/47/61/591164761.db2.gz YPCDXABTAULXQQ-QMMMGPOBSA-N 0 0 249.339 2.319 10 0 BEAERN C[C@H](O)c1ccn(Cc2ccc(Cl)nc2)n1 ZINC000128826652 591166033 /nfs/dbraw/zinc/16/60/33/591166033.db2.gz QQGGOGXEENKYJF-QMMMGPOBSA-N 0 0 237.690 2.033 10 0 BEAERN CCSCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000129173875 591267103 /nfs/dbraw/zinc/26/71/03/591267103.db2.gz YHIPZSMDNLVPNB-LLVKDONJSA-N 0 0 215.362 2.041 10 0 BEAERN CCn1ccnc1COc1ccc(F)nc1 ZINC000129968989 591425275 /nfs/dbraw/zinc/42/52/75/591425275.db2.gz CQFXAYVGIXJHIE-UHFFFAOYSA-N 0 0 221.235 2.016 10 0 BEAERN CC(C)CNC(=S)N1CC[C@H](C(C)C)C1 ZINC000130076908 591434230 /nfs/dbraw/zinc/43/42/30/591434230.db2.gz KDWGPANGDNNHOX-NSHDSACASA-N 0 0 228.405 2.495 10 0 BEAERN C[C@@H](O)c1ccc(N(C)Cc2cscn2)nc1 ZINC000213264713 591457633 /nfs/dbraw/zinc/45/76/33/591457633.db2.gz FOPDOUYEVHIADJ-SECBINFHSA-N 0 0 249.339 2.228 10 0 BEAERN O=C(CCc1ccccn1)OC1CCC1 ZINC000130520657 591476162 /nfs/dbraw/zinc/47/61/62/591476162.db2.gz PWDMJBFRQGQVHD-UHFFFAOYSA-N 0 0 205.257 2.110 10 0 BEAERN CCc1nn(C)c(Cl)c1C(=O)OC1CCC1 ZINC000131259447 591579577 /nfs/dbraw/zinc/57/95/77/591579577.db2.gz DDPBRPAQYLSGAX-UHFFFAOYSA-N 0 0 242.706 2.345 10 0 BEAERN COC[C@H](OC(=O)/C=C(/C)C1CC1)C1CC1 ZINC000131727403 591650457 /nfs/dbraw/zinc/65/04/57/591650457.db2.gz IOTBATFRENRFIZ-UPZNUWHASA-N 0 0 224.300 2.311 10 0 BEAERN CCC[C@@H](C)C(=O)O[C@@H](COC)C1CC1 ZINC000131816408 591666197 /nfs/dbraw/zinc/66/61/97/591666197.db2.gz KGOHIYMUBSYISL-KOLCDFICSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1cc(F)cc(-c2cc(N)n(C)n2)c1 ZINC000131867038 591672647 /nfs/dbraw/zinc/67/26/47/591672647.db2.gz WOYMMQPRVLYNRZ-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN COC[C@@H](OC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC000131886613 591675993 /nfs/dbraw/zinc/67/59/93/591675993.db2.gz SRFHYVVSUFUBDT-ZYHUDNBSSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@@H](OC(=O)c1ccc(C)o1)C1CC1 ZINC000131997916 591682544 /nfs/dbraw/zinc/68/25/44/591682544.db2.gz ISUUCDBEDIKHGQ-LLVKDONJSA-N 0 0 224.256 2.170 10 0 BEAERN O=C(OC1(C2CC2)CC1)[C@H]1CCCCO1 ZINC000132147951 591690915 /nfs/dbraw/zinc/69/09/15/591690915.db2.gz OLFDPFVDQYDGGC-SNVBAGLBSA-N 0 0 210.273 2.041 10 0 BEAERN CC[C@H](C)C(=O)O[C@H](COC)C1CC1 ZINC000132376644 591705169 /nfs/dbraw/zinc/70/51/69/591705169.db2.gz CCOUPJOYJLEYFN-WCBMZHEXSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@@H](OC(=O)c1cccnc1)C1CCOCC1 ZINC000132724505 591734098 /nfs/dbraw/zinc/73/40/98/591734098.db2.gz LJDGWRJXMGEBAV-SNVBAGLBSA-N 0 0 235.283 2.054 10 0 BEAERN CCc1noc(C)c1NC(=O)C1=COCCC1 ZINC000133254807 591781326 /nfs/dbraw/zinc/78/13/26/591781326.db2.gz CFBSZYBKKSBFSE-UHFFFAOYSA-N 0 0 236.271 2.178 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(Cl)n2)O1 ZINC000133290532 591784176 /nfs/dbraw/zinc/78/41/76/591784176.db2.gz WNXKFKLNEWKJDB-HTQZYQBOSA-N 0 0 240.690 2.241 10 0 BEAERN CCCCCCC(=O)N[C@H](C)C(OC)OC ZINC000133745714 591850961 /nfs/dbraw/zinc/85/09/61/591850961.db2.gz SIVBTFJJCYOYRZ-SNVBAGLBSA-N 0 0 231.336 2.080 10 0 BEAERN Cc1c[nH]nc1NC(=O)COc1cccc(C)c1 ZINC000134680079 591946203 /nfs/dbraw/zinc/94/62/03/591946203.db2.gz ZMRFIEVAMBFIKQ-UHFFFAOYSA-N 0 0 245.282 2.044 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cc(C)cc(F)c1 ZINC000134790188 591950424 /nfs/dbraw/zinc/95/04/24/591950424.db2.gz CGNBRYJFGFDVKS-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN CCC[C@@](C)(NCc1ccoc1)C(=O)OC ZINC000135038073 591975526 /nfs/dbraw/zinc/97/55/26/591975526.db2.gz OYXHVFLTOSFMOS-GFCCVEGCSA-N 0 0 225.288 2.101 10 0 BEAERN C[C@H](Sc1ccccn1)C(=O)OCCF ZINC000135191235 591995113 /nfs/dbraw/zinc/99/51/13/591995113.db2.gz HYZQAODMJQUSAH-QMMMGPOBSA-N 0 0 229.276 2.075 10 0 BEAERN CC(=O)CCN(C)C(=O)c1cc2ccccc2[nH]1 ZINC000135580621 592021869 /nfs/dbraw/zinc/02/18/69/592021869.db2.gz HBNBHZMQDKNNSR-UHFFFAOYSA-N 0 0 244.294 2.219 10 0 BEAERN CCCCOC(=O)c1ccc(-n2ccnc2)nc1 ZINC000135962802 592086437 /nfs/dbraw/zinc/08/64/37/592086437.db2.gz GYPMGVJQTBUXPR-UHFFFAOYSA-N 0 0 245.282 2.224 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)O[C@@H](C)C(C)C ZINC000136376726 592109697 /nfs/dbraw/zinc/10/96/97/592109697.db2.gz ABUTWHOXVMQBKH-VIFPVBQESA-N 0 0 230.304 2.163 10 0 BEAERN C[C@H](C(N)=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000217828168 592149625 /nfs/dbraw/zinc/14/96/25/592149625.db2.gz RPZZWJVCZBTIPE-DTWKUNHWSA-N 0 0 240.734 2.207 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)C1=COCCO1 ZINC000137057568 592153648 /nfs/dbraw/zinc/15/36/48/592153648.db2.gz PAMLFESYMDBPSS-NSHDSACASA-N 0 0 247.294 2.060 10 0 BEAERN O=C1C[C@@H](c2ccc(Br)cc2)CO1 ZINC000138407811 592272570 /nfs/dbraw/zinc/27/25/70/592272570.db2.gz NBTJDXDLSAXXCE-MRVPVSSYSA-N 0 0 241.084 2.480 10 0 BEAERN CCC1CCC(NC(=O)c2cnc(C)cn2)CC1 ZINC000074385750 592308895 /nfs/dbraw/zinc/30/88/95/592308895.db2.gz JKDAZPJSRDSFPS-UHFFFAOYSA-N 0 0 247.342 2.484 10 0 BEAERN O=C1NCC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000075172890 592311533 /nfs/dbraw/zinc/31/15/33/592311533.db2.gz KRSOZISQAWZHPG-VIFPVBQESA-N 0 0 243.228 2.384 10 0 BEAERN COC(=O)/C=C(\C)c1ccc(OC)cc1OC ZINC000222555468 592484349 /nfs/dbraw/zinc/48/43/49/592484349.db2.gz NXVXETMVIWSEGX-VQHVLOKHSA-N 0 0 236.267 2.280 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000300239682 592505509 /nfs/dbraw/zinc/50/55/09/592505509.db2.gz BXAUQOPWQMQQJI-XBFCOCLRSA-N 0 0 247.338 2.272 10 0 BEAERN CS[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000300645353 592517391 /nfs/dbraw/zinc/51/73/91/592517391.db2.gz LRFKBANVQFGNFD-KZZRWZIVSA-N 0 0 239.384 2.433 10 0 BEAERN CC(C)c1c(N)n[nH]c1[C@]1(C)CCCO1 ZINC000300795223 592520052 /nfs/dbraw/zinc/52/00/52/592520052.db2.gz VHFQAZYYGWVTJX-NSHDSACASA-N 0 0 209.293 2.141 10 0 BEAERN CCc1c(N)n[nH]c1[C@@H]1CCC(F)(F)C1 ZINC000301041417 592526553 /nfs/dbraw/zinc/52/65/53/592526553.db2.gz ZJNNFMPDQXAFBN-ZCFIWIBFSA-N 0 0 215.247 2.457 10 0 BEAERN CC[C@@H](C)CN(CC)c1ncc(C=O)cn1 ZINC000126422129 592724300 /nfs/dbraw/zinc/72/43/00/592724300.db2.gz YQAXNPNEMWFDQN-SNVBAGLBSA-N 0 0 221.304 2.162 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1CCC(=O)C(C)(C)C ZINC000054026445 635329700 /nfs/dbraw/zinc/32/97/00/635329700.db2.gz NEIKTPZOKBRZBB-MNOVXSKESA-N 0 0 227.348 2.101 10 0 BEAERN CC(C)=CC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000078888363 635437503 /nfs/dbraw/zinc/43/75/03/635437503.db2.gz WLHIDXGQSLHSGD-NEPJUHHUSA-N 0 0 233.315 2.059 10 0 BEAERN CC[C@@H](NC(=S)NC(C)C)C(C)C ZINC000063909591 635470992 /nfs/dbraw/zinc/47/09/92/635470992.db2.gz VGEGKOGOZZSJML-SECBINFHSA-N 0 0 202.367 2.294 10 0 BEAERN CCC[C@@H]1C[C@H]1N[C@@H](C)C(=O)OC(C)(C)C ZINC000233309249 635532949 /nfs/dbraw/zinc/53/29/49/635532949.db2.gz LSEZFDJGMBKYOM-HBNTYKKESA-N 0 0 227.348 2.495 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000233943520 635544151 /nfs/dbraw/zinc/54/41/51/635544151.db2.gz YRFCLSYSMYUHHP-WYUUTHIRSA-N 0 0 225.332 2.106 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000234156732 635548877 /nfs/dbraw/zinc/54/88/77/635548877.db2.gz TVMKWUVKWZIZDM-VXGBXAGGSA-N 0 0 235.283 2.146 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc2[nH]cnc2c1 ZINC000075559377 631268531 /nfs/dbraw/zinc/26/85/31/631268531.db2.gz JLCGRLQGBGGRRW-CABZTGNLSA-N 0 0 243.310 2.481 10 0 BEAERN C[C@@H]1CN(C/C(Cl)=C\Cl)C[C@@H](C)O1 ZINC000308293050 631274299 /nfs/dbraw/zinc/27/42/99/631274299.db2.gz IIGJLTOWQBHZLY-VWKYRKHGSA-N 0 0 224.131 2.415 10 0 BEAERN CCC1CCC(N2C(=O)[C@H](C)NC2=S)CC1 ZINC000077590646 631324364 /nfs/dbraw/zinc/32/43/64/631324364.db2.gz DIWJXQYAHJXSAX-IDKOKCKLSA-N 0 0 240.372 2.060 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC/C=C\Br)O1 ZINC000308402981 631326870 /nfs/dbraw/zinc/32/68/70/631326870.db2.gz JTPWOGNTMBSEFQ-NDFJAXRBSA-N 0 0 249.104 2.006 10 0 BEAERN CC(=O)c1cccc(-n2ccnc2C)c1 ZINC000082912334 631416755 /nfs/dbraw/zinc/41/67/55/631416755.db2.gz RGAYPDYCGSNQOP-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CCCOCCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000176134337 631538514 /nfs/dbraw/zinc/53/85/14/631538514.db2.gz KFGYQUYMJMKRPZ-QWRGUYRKSA-N 0 0 212.289 2.002 10 0 BEAERN CCc1nn(C)c(OCc2ccccc2)c1N ZINC000091561755 631542674 /nfs/dbraw/zinc/54/26/74/631542674.db2.gz QMTCQCVSZACXJI-UHFFFAOYSA-N 0 0 231.299 2.144 10 0 BEAERN CCOCCCCOC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176150941 631545034 /nfs/dbraw/zinc/54/50/34/631545034.db2.gz SPPYWLYRSUSLMC-VXGBXAGGSA-N 0 0 226.316 2.392 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccccc1F ZINC000190130029 631561965 /nfs/dbraw/zinc/56/19/65/631561965.db2.gz HCNOILIMUAWVQY-VIFPVBQESA-N 0 0 226.247 2.408 10 0 BEAERN C[C@H](OC(=O)/C=C\c1ccco1)[C@H]1CCOC1 ZINC000255418705 631644542 /nfs/dbraw/zinc/64/45/42/631644542.db2.gz ZGUAJYDDBNPLCH-XXJOZFEBSA-N 0 0 236.267 2.261 10 0 BEAERN CC(C)(C)[C@@H](O)COc1ccc(F)nc1 ZINC000308782996 631645993 /nfs/dbraw/zinc/64/59/93/631645993.db2.gz DMWRBXQRKWVETA-VIFPVBQESA-N 0 0 213.252 2.007 10 0 BEAERN CCOCC(=O)O[C@@H](C)COc1ccccc1 ZINC000121714608 631723461 /nfs/dbraw/zinc/72/34/61/631723461.db2.gz ZNUQMAWQZPXMMC-NSHDSACASA-N 0 0 238.283 2.034 10 0 BEAERN CC[C@H](NC)c1nc(CC2CCC2)no1 ZINC000308938744 631744369 /nfs/dbraw/zinc/74/43/69/631744369.db2.gz DLRWXEOOCQOLPC-VIFPVBQESA-N 0 0 209.293 2.083 10 0 BEAERN COC[C@@H](C)C(=O)OCC1(C)CCCC1 ZINC000158301734 631854039 /nfs/dbraw/zinc/85/40/39/631854039.db2.gz GFDXCSDFTAAIRK-SNVBAGLBSA-N 0 0 214.305 2.392 10 0 BEAERN CCNc1cc(C(=O)OCC)c(N)cc1F ZINC000050018548 631936010 /nfs/dbraw/zinc/93/60/10/631936010.db2.gz FRTMDLFNGAGHNQ-UHFFFAOYSA-N 0 0 226.251 2.016 10 0 BEAERN CC(C)C(=O)Nc1cc(Cl)ccc1C(N)=O ZINC000121926933 632006970 /nfs/dbraw/zinc/00/69/70/632006970.db2.gz XSTWOMLWGKAGFN-UHFFFAOYSA-N 0 0 240.690 2.033 10 0 BEAERN O=C(Nc1cccc(F)n1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252905247 635716822 /nfs/dbraw/zinc/71/68/22/635716822.db2.gz RPRIEGJFIUZTQQ-AYMMMOKOSA-N 0 0 220.247 2.205 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)CCOC(C)C)C1 ZINC000120624092 635744823 /nfs/dbraw/zinc/74/48/23/635744823.db2.gz RBTJDBFXCILWAP-RYUDHWBXSA-N 0 0 244.331 2.302 10 0 BEAERN CCC[C@H](C)C[N@H+](CCC(=O)[O-])C1CC1 ZINC000051322572 632505051 /nfs/dbraw/zinc/50/50/51/632505051.db2.gz BQLCNBLBKGCQGO-JTQLQIEISA-N 0 0 213.321 2.362 10 0 BEAERN CCNCc1noc(CCc2ccc(C)cc2)n1 ZINC000052946192 632520889 /nfs/dbraw/zinc/52/08/89/632520889.db2.gz BUJOMTZZIYQNRU-UHFFFAOYSA-N 0 0 245.326 2.273 10 0 BEAERN CCCCCCOCC(=O)N[C@@H]1C[C@@H]1C ZINC000107589828 632576970 /nfs/dbraw/zinc/57/69/70/632576970.db2.gz LYVCCEGVXXZUDA-WDEREUQCSA-N 0 0 213.321 2.108 10 0 BEAERN COC[C@H](C)C(=O)O[C@H](C)C1CCC1 ZINC000177287994 632803377 /nfs/dbraw/zinc/80/33/77/632803377.db2.gz NTEUOWZCDDFXML-DTWKUNHWSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(N)ccc1Cl ZINC000052268189 632820597 /nfs/dbraw/zinc/82/05/97/632820597.db2.gz GMJGUKBCMMSRIW-LDWIPMOCSA-N 0 0 224.691 2.060 10 0 BEAERN CCC1CCC(N2C(=O)[C@@H](C)NC2=S)CC1 ZINC000077590648 632829417 /nfs/dbraw/zinc/82/94/17/632829417.db2.gz DIWJXQYAHJXSAX-XNWIYYODSA-N 0 0 240.372 2.060 10 0 BEAERN Cc1cc(C)n(-c2c(F)cccc2C=O)n1 ZINC000235823196 632834180 /nfs/dbraw/zinc/83/41/80/632834180.db2.gz YYXOTHCOCZQIQP-UHFFFAOYSA-N 0 0 218.231 2.441 10 0 BEAERN Cc1nc(C)n(-c2ccc(C)cc2C=O)n1 ZINC000235889901 632845334 /nfs/dbraw/zinc/84/53/34/632845334.db2.gz KMFWZWYTPDGALC-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN N#Cc1cc(C=O)ccc1-n1cc(Cl)cn1 ZINC000236066246 632874852 /nfs/dbraw/zinc/87/48/52/632874852.db2.gz SDBCJOJPASKOMV-UHFFFAOYSA-N 0 0 231.642 2.210 10 0 BEAERN C[C@@H](Cc1ccco1)Nc1cccnn1 ZINC000052830977 632904944 /nfs/dbraw/zinc/90/49/44/632904944.db2.gz LRNIEDLQYYGNMH-VIFPVBQESA-N 0 0 203.245 2.113 10 0 BEAERN CCc1nc(C)cc(N2CCC[C@@H](C(C)=O)C2)n1 ZINC000310746919 632933874 /nfs/dbraw/zinc/93/38/74/632933874.db2.gz JKGBKCXJNSSTNK-GFCCVEGCSA-N 0 0 247.342 2.153 10 0 BEAERN O=Cc1ccc(Cl)cc1-n1ccnc1 ZINC000163055959 633046099 /nfs/dbraw/zinc/04/60/99/633046099.db2.gz HXSRZOPNFBBJPS-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CCCCc1nnc(NCC2(C)COC2)s1 ZINC000309613787 633211246 /nfs/dbraw/zinc/21/12/46/633211246.db2.gz AYINFSVALDVHAO-UHFFFAOYSA-N 0 0 241.360 2.329 10 0 BEAERN O=C(CCn1cccn1)OCc1ccc(F)cc1 ZINC000126685798 635949851 /nfs/dbraw/zinc/94/98/51/635949851.db2.gz WSJCCYKKWSGEAN-UHFFFAOYSA-N 0 0 248.257 2.156 10 0 BEAERN Cc1cscc1NCc1cn(C)cn1 ZINC000306355294 635963922 /nfs/dbraw/zinc/96/39/22/635963922.db2.gz RWGAZSHCELGKJD-UHFFFAOYSA-N 0 0 207.302 2.402 10 0 BEAERN O=C(N[C@H]1CC2CCC1CC2)n1ccnc1 ZINC000306431242 635966001 /nfs/dbraw/zinc/96/60/01/635966001.db2.gz RBDUDSQXEUHZGO-ILDUYXDCSA-N 0 0 219.288 2.020 10 0 BEAERN C[C@H]1C[C@H](O)CN(c2nc(Cl)cs2)C1 ZINC000306866355 635976332 /nfs/dbraw/zinc/97/63/32/635976332.db2.gz NQNZCRVRJLDWNF-BQBZGAKWSA-N 0 0 232.736 2.004 10 0 BEAERN CC(C)COC(=O)[C@H]1CCCO[C@H]1C ZINC000192105285 636088591 /nfs/dbraw/zinc/08/85/91/636088591.db2.gz UCTSSJSSVCRFPM-UWVGGRQHSA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)COC(=O)[C@@H]1CCCO[C@H]1C ZINC000192105274 636089250 /nfs/dbraw/zinc/08/92/50/636089250.db2.gz UCTSSJSSVCRFPM-VHSXEESVSA-N 0 0 200.278 2.001 10 0 BEAERN CS[C@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151558196 636111357 /nfs/dbraw/zinc/11/13/57/636111357.db2.gz QFBRFJFUGWVIIA-DTWKUNHWSA-N 0 0 232.345 2.096 10 0 BEAERN C[C@H](O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000035627767 633837047 /nfs/dbraw/zinc/83/70/47/633837047.db2.gz NZPSWURTVLSYJH-GWCFXTLKSA-N 0 0 222.284 2.298 10 0 BEAERN C[C@H](OC(=O)C(C)(Cl)Cl)[C@@H]1CCOC1 ZINC000180072404 633878597 /nfs/dbraw/zinc/87/85/97/633878597.db2.gz FGGUFUIVCQRIAJ-NKWVEPMBSA-N 0 0 241.114 2.148 10 0 BEAERN C[C@H]1OCC[C@H]1OC(=O)Cc1cccc(F)c1 ZINC000187828510 634121649 /nfs/dbraw/zinc/12/16/49/634121649.db2.gz DVQZOABUZHLOET-BXKDBHETSA-N 0 0 238.258 2.089 10 0 BEAERN CCOC[C@H](C)OC(=O)Cc1cccc(F)c1 ZINC000190762390 634193566 /nfs/dbraw/zinc/19/35/66/634193566.db2.gz BKENOWVGAWCSOQ-JTQLQIEISA-N 0 0 240.274 2.336 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccccc1OC ZINC000190774849 634193833 /nfs/dbraw/zinc/19/38/33/634193833.db2.gz ONKXCVJRKJVQTH-JTQLQIEISA-N 0 0 238.283 2.277 10 0 BEAERN CC(C)COCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191463621 634211427 /nfs/dbraw/zinc/21/14/27/634211427.db2.gz XMYDHMNTRQWPDS-VXGBXAGGSA-N 0 0 244.331 2.017 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCC1(C#N)CCC1 ZINC000192297784 634230490 /nfs/dbraw/zinc/23/04/90/634230490.db2.gz XMDVGDLLOGGHEB-QWRGUYRKSA-N 0 0 237.299 2.039 10 0 BEAERN CC(C)OCCN1CC[C@@H](O)c2ccccc21 ZINC000123530798 634242999 /nfs/dbraw/zinc/24/29/99/634242999.db2.gz JIFVMWKRNZRKPG-CQSZACIVSA-N 0 0 235.327 2.355 10 0 BEAERN CCC[N@H+](CCSC(F)(F)F)CC(=O)[O-] ZINC000123583519 634247561 /nfs/dbraw/zinc/24/75/61/634247561.db2.gz TXANCAIEDBQRTG-UHFFFAOYSA-N 0 0 245.266 2.036 10 0 BEAERN CCCOCC(=O)OCCCOC1CCCC1 ZINC000123725548 634254919 /nfs/dbraw/zinc/25/49/19/634254919.db2.gz ZBJFFHHUDPIFQB-UHFFFAOYSA-N 0 0 244.331 2.306 10 0 BEAERN COC(=O)c1cccc(N[C@H](C)C(C)C)n1 ZINC000092826755 634290574 /nfs/dbraw/zinc/29/05/74/634290574.db2.gz YPLZVJJEIQDQKB-SECBINFHSA-N 0 0 222.288 2.325 10 0 BEAERN C/C=C/COC(=O)c1cccc(NC(C)=O)c1 ZINC000053908201 635177279 /nfs/dbraw/zinc/17/72/79/635177279.db2.gz YXUQWHZOGIXGRH-ONEGZZNKSA-N 0 0 233.267 2.378 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1nccc2occc21 ZINC000336774448 635286892 /nfs/dbraw/zinc/28/68/92/635286892.db2.gz ZUOKNVSXKNYWDB-JGVFFNPUSA-N 0 0 206.245 2.009 10 0 BEAERN O=C(Nc1cc2c(cn1)CCC2)N1CC2(CC2)C1 ZINC000335238980 636117188 /nfs/dbraw/zinc/11/71/88/636117188.db2.gz SIVFTMSOUAILIC-UHFFFAOYSA-N 0 0 243.310 2.198 10 0 BEAERN C[C@H](OC(=O)c1ccccc1)[C@@H]1CCOC1 ZINC000079175705 636253758 /nfs/dbraw/zinc/25/37/58/636253758.db2.gz LYKVTKWOGVWGHG-CMPLNLGQSA-N 0 0 220.268 2.268 10 0 BEAERN C[C@@H](OC(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000079178061 636256084 /nfs/dbraw/zinc/25/60/84/636256084.db2.gz RCVHJGFKPPSVPX-ZJUUUORDSA-N 0 0 238.258 2.408 10 0 BEAERN Cc1noc(CCC(=O)Oc2cccc(C)c2)n1 ZINC000127139623 636287490 /nfs/dbraw/zinc/28/74/90/636287490.db2.gz XQMQRYXKYGTODM-UHFFFAOYSA-N 0 0 246.266 2.225 10 0 BEAERN C[C@H](Nc1ccc(OCC(N)=O)cc1)[C@H]1C[C@H]1C ZINC000321369542 636641307 /nfs/dbraw/zinc/64/13/07/636641307.db2.gz DWMBESZQBJTGOA-NRUUGDAUSA-N 0 0 248.326 2.007 10 0 BEAERN CSC1(C(=O)O[C@H](C)C2CCOCC2)CC1 ZINC000191194142 636725547 /nfs/dbraw/zinc/72/55/47/636725547.db2.gz OWNXEXZHJINOPZ-SECBINFHSA-N 0 0 244.356 2.240 10 0 BEAERN C[C@]1(OC(=O)CCc2ccccc2)CCOC1 ZINC000034511134 636936544 /nfs/dbraw/zinc/93/65/44/636936544.db2.gz HTAFYUJVPHNKRB-AWEZNQCLSA-N 0 0 234.295 2.341 10 0 BEAERN O=C(c1ccccc1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000041342213 636986200 /nfs/dbraw/zinc/98/62/00/636986200.db2.gz PJULMHDEIGNYKE-ZDUSSCGKSA-N 0 0 243.306 2.270 10 0 BEAERN C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(=O)[O-])co2)C1 ZINC000128493930 637079683 /nfs/dbraw/zinc/07/96/83/637079683.db2.gz QDOOJFMSOAZNKH-SCZZXKLOSA-N 0 0 223.272 2.256 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@H](C)O)c(Cl)c1 ZINC000346400560 637105578 /nfs/dbraw/zinc/10/55/78/637105578.db2.gz LFZOJWJALSIESY-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN CC[C@H](C(=O)N[C@@H](C)[C@@H](C)O)c1ccccc1 ZINC000346400477 637105692 /nfs/dbraw/zinc/10/56/92/637105692.db2.gz JUHVZRRSNXHWIN-LOWVWBTDSA-N 0 0 235.327 2.066 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@@H](C)[C@@H](C)O)cc2c1 ZINC000346417110 637111732 /nfs/dbraw/zinc/11/17/32/637111732.db2.gz SZOGRGROJMXRNT-VHSXEESVSA-N 0 0 247.294 2.240 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)CCC1CCCCC1 ZINC000346421971 637117277 /nfs/dbraw/zinc/11/72/77/637117277.db2.gz VKCNHBPPSXNTHR-GHMZBOCLSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1cccc2ccsc21 ZINC000346453316 637141859 /nfs/dbraw/zinc/14/18/59/637141859.db2.gz KJWFTKNLYYXILY-IUCAKERBSA-N 0 0 249.335 2.400 10 0 BEAERN CCCC[C@H](CC)C(=O)N[C@@H](C)[C@@H](C)O ZINC000346472754 637145752 /nfs/dbraw/zinc/14/57/52/637145752.db2.gz RDMQBMYQXQWLOE-AXFHLTTASA-N 0 0 215.337 2.088 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000346540361 637167255 /nfs/dbraw/zinc/16/72/55/637167255.db2.gz YMESTGCYXJUPDO-QWRGUYRKSA-N 0 0 249.354 2.483 10 0 BEAERN CN(Cc1cscn1)c1ccccc1CO ZINC000042866877 637390374 /nfs/dbraw/zinc/39/03/74/637390374.db2.gz IGRPQBOIUMXZCO-UHFFFAOYSA-N 0 0 234.324 2.272 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)Nc1ccccc1Cl ZINC000348149919 638485631 /nfs/dbraw/zinc/48/56/31/638485631.db2.gz BNCVATYMLKMMDG-JGVFFNPUSA-N 0 0 242.706 2.231 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)C2CC2)ccc1N ZINC000035732603 639878751 /nfs/dbraw/zinc/87/87/51/639878751.db2.gz JFYMXOSREYYIMR-VIFPVBQESA-N 0 0 218.300 2.106 10 0 BEAERN C[C@@H](OC(=O)C(C)(C)C)C1CCOCC1 ZINC000156001815 639940630 /nfs/dbraw/zinc/94/06/30/639940630.db2.gz WZZHARRFFCSEAE-SECBINFHSA-N 0 0 214.305 2.391 10 0 BEAERN CCc1nc(-c2cc(N)ccc2Cl)n(C)n1 ZINC000054696938 640306589 /nfs/dbraw/zinc/30/65/89/640306589.db2.gz YGPBLHMQXXHZLV-UHFFFAOYSA-N 0 0 236.706 2.280 10 0 BEAERN Nc1cccn(CC2CCCCC2)c1=O ZINC000050445590 640540422 /nfs/dbraw/zinc/54/04/22/640540422.db2.gz SVGIULAFNLYPPR-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN Cc1c(N)n[nH]c1-c1ccc(F)c(C)c1 ZINC000057492851 640612396 /nfs/dbraw/zinc/61/23/96/640612396.db2.gz GUPNWPMMHZYGRH-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)c2ccoc2)C1 ZINC000057792912 640636945 /nfs/dbraw/zinc/63/69/45/640636945.db2.gz VIPQDIBEIKLUGF-GHMZBOCLSA-N 0 0 224.256 2.394 10 0 BEAERN CCCc1noc([C@H]2C[C@@H](C)CCN2)n1 ZINC000167529742 640725368 /nfs/dbraw/zinc/72/53/68/640725368.db2.gz WZGNZMYIPPDURS-DTWKUNHWSA-N 0 0 209.293 2.083 10 0 BEAERN CCc1c(N)n(C)nc1[C@H]1CCC[C@H]1C ZINC000226596715 640775519 /nfs/dbraw/zinc/77/55/19/640775519.db2.gz UPLUBDGRMMIREZ-SCZZXKLOSA-N 0 0 207.321 2.468 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)C(F)(F)C(F)F ZINC000226698435 640790246 /nfs/dbraw/zinc/79/02/46/640790246.db2.gz SXSVZQFSEBEGEF-RITPCOANSA-N 0 0 227.201 2.192 10 0 BEAERN C/C=C/C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000059569716 640816867 /nfs/dbraw/zinc/81/68/67/640816867.db2.gz RKOBEDMWTFCCRZ-BRAIEQGRSA-N 0 0 249.310 2.457 10 0 BEAERN Cc1cccc2nc(C3CC3)c(C=O)n21 ZINC000228028131 640856714 /nfs/dbraw/zinc/85/67/14/640856714.db2.gz NLPZHNROGSDTHJ-UHFFFAOYSA-N 0 0 200.241 2.333 10 0 BEAERN Cc1csc2ncc(Br)n12 ZINC000228005500 640857158 /nfs/dbraw/zinc/85/71/58/640857158.db2.gz WPPHRSDKERLOBA-UHFFFAOYSA-N 0 0 217.091 2.467 10 0 BEAERN CN1CCC[C@@H]1C(=O)c1c[nH]c2ccccc12 ZINC000199620602 640868053 /nfs/dbraw/zinc/86/80/53/640868053.db2.gz UVIBGQDCRGRJQC-CYBMUJFWSA-N 0 0 228.295 2.445 10 0 BEAERN C[C@@H](NC(=O)c1ccc2c(c1)NCC2)C1CC1 ZINC000228553944 640880803 /nfs/dbraw/zinc/88/08/03/640880803.db2.gz AUPRXZFNGIRFLP-SECBINFHSA-N 0 0 230.311 2.183 10 0 BEAERN C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)C1CCCC1 ZINC000169910854 640883978 /nfs/dbraw/zinc/88/39/78/640883978.db2.gz KVAJKTKEZQNSSD-GRYCIOLGSA-N 0 0 239.359 2.449 10 0 BEAERN Nc1cccc(CNc2ncnc3c2CCC3)c1 ZINC000061277817 640948058 /nfs/dbraw/zinc/94/80/58/640948058.db2.gz KCNBWVZIMOKAHF-UHFFFAOYSA-N 0 0 240.310 2.160 10 0 BEAERN C[C@@H]1CCCN1c1cncc(F)c1C=O ZINC000675063698 640959936 /nfs/dbraw/zinc/95/99/36/640959936.db2.gz KZPKKMYGSXKJJT-MRVPVSSYSA-N 0 0 208.236 2.022 10 0 BEAERN O=Cc1ccc(N2CC[C@H](C(F)F)C2)o1 ZINC000675064182 640960953 /nfs/dbraw/zinc/96/09/53/640960953.db2.gz WYHIMNGAUZADEM-ZETCQYMHSA-N 0 0 215.199 2.184 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Oc1cc(C)cc(C)c1 ZINC000171175321 640961564 /nfs/dbraw/zinc/96/15/64/640961564.db2.gz TXQXXMFBCKHXHV-RYUDHWBXSA-N 0 0 248.278 2.018 10 0 BEAERN CC(=O)[C@H]1COc2c(F)ccc(C)c2C1 ZINC000675064398 640963051 /nfs/dbraw/zinc/96/30/51/640963051.db2.gz ZJELBASMRXAWKK-SECBINFHSA-N 0 0 208.232 2.274 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Oc1ccc(C)cc1C ZINC000171184170 640964132 /nfs/dbraw/zinc/96/41/32/640964132.db2.gz NGDGFWDCUWUFNW-GHMZBOCLSA-N 0 0 248.278 2.018 10 0 BEAERN CCOCCC(=O)C=C(O)C1CCCC1 ZINC000061442252 640965836 /nfs/dbraw/zinc/96/58/36/640965836.db2.gz SRIXLAUFORAAHK-UHFFFAOYSA-N 0 0 212.289 2.132 10 0 BEAERN CCC[C@@H](N)c1nc([C@H]2CCCS2)no1 ZINC000087700004 640977071 /nfs/dbraw/zinc/97/70/71/640977071.db2.gz ALODQTHEEJEGGQ-HTQZYQBOSA-N 0 0 227.333 2.438 10 0 BEAERN Cc1c[nH]nc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000230058124 641013060 /nfs/dbraw/zinc/01/30/60/641013060.db2.gz TYQBRTNXRGNBKQ-CBAPKCEASA-N 0 0 207.277 2.093 10 0 BEAERN COCc1cccc(OC(=O)[C@H](C)COC)c1 ZINC000171878306 641017636 /nfs/dbraw/zinc/01/76/36/641017636.db2.gz VUDAIMISIKCGGT-SNVBAGLBSA-N 0 0 238.283 2.021 10 0 BEAERN Cc1cccc(CNCc2ccoc2)n1 ZINC000062103696 641021412 /nfs/dbraw/zinc/02/14/12/641021412.db2.gz IVENYAMVTRGBIE-UHFFFAOYSA-N 0 0 202.257 2.273 10 0 BEAERN COc1ccc(C[C@H](O)C2CC2)cc1OC ZINC000062137709 641023878 /nfs/dbraw/zinc/02/38/78/641023878.db2.gz NGKACECILQFQGD-NSHDSACASA-N 0 0 222.284 2.017 10 0 BEAERN COC[C@@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000171992894 641026517 /nfs/dbraw/zinc/02/65/17/641026517.db2.gz FUHQEDRCHRJQEQ-UVMWJGKXSA-N 0 0 233.311 2.099 10 0 BEAERN Cc1c(N)n[nH]c1-c1cc(F)ccc1C ZINC000062665955 641071372 /nfs/dbraw/zinc/07/13/72/641071372.db2.gz VLPZJFFGWHKONV-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN COC1CC(NC(=O)c2cccc(C)c2F)C1 ZINC000230628849 641074353 /nfs/dbraw/zinc/07/43/53/641074353.db2.gz YOWCATPAKZTBHN-UHFFFAOYSA-N 0 0 237.274 2.041 10 0 BEAERN CCC(=O)N1CCN(c2ccccc2)[C@@H](C)C1 ZINC000062690684 641075782 /nfs/dbraw/zinc/07/57/82/641075782.db2.gz PAITVFGDCOMZNT-LBPRGKRZSA-N 0 0 232.327 2.134 10 0 BEAERN Cc1ccc([C@H](O)c2cn[nH]c2)cc1C ZINC000062778360 641088982 /nfs/dbraw/zinc/08/89/82/641088982.db2.gz IOWHNUXNCPDBFT-LBPRGKRZSA-N 0 0 202.257 2.108 10 0 BEAERN CC1=CCCN(C(=O)N2CCCCC2)C1 ZINC000230808926 641098045 /nfs/dbraw/zinc/09/80/45/641098045.db2.gz LSIFHFRIPZEUGN-UHFFFAOYSA-N 0 0 208.305 2.244 10 0 BEAERN CC(C)[C@@H]1CCC[C@@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 ZINC000231017603 641125336 /nfs/dbraw/zinc/12/53/36/641125336.db2.gz VMAGTRGTYYXJPK-WZRBSPASSA-N 0 0 225.332 2.123 10 0 BEAERN OC[C@H]1CCCC[C@H]1Nc1nccs1 ZINC000231327444 641164631 /nfs/dbraw/zinc/16/46/31/641164631.db2.gz GQXHAGNNECNROR-RKDXNWHRSA-N 0 0 212.318 2.106 10 0 BEAERN CCCNC(=S)N[C@@H]1C[C@H]1CCC ZINC000231648048 641191049 /nfs/dbraw/zinc/19/10/49/641191049.db2.gz LGYLMNPCEJXIJW-RKDXNWHRSA-N 0 0 200.351 2.049 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=S)NCCCOCC ZINC000231648057 641192626 /nfs/dbraw/zinc/19/26/26/641192626.db2.gz XAXBKIMNPRJFAK-QWRGUYRKSA-N 0 0 244.404 2.066 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=S)NCCCOCC ZINC000231648054 641193061 /nfs/dbraw/zinc/19/30/61/641193061.db2.gz XAXBKIMNPRJFAK-MNOVXSKESA-N 0 0 244.404 2.066 10 0 BEAERN O=C(OCC(F)(F)F)c1ccccc1 ZINC000039206828 641194467 /nfs/dbraw/zinc/19/44/67/641194467.db2.gz GMYUKHZXDVBIQE-UHFFFAOYSA-N 0 0 204.147 2.406 10 0 BEAERN Cc1cnc([C@H](C)Nc2cc(C)cnn2)o1 ZINC000231747491 641198412 /nfs/dbraw/zinc/19/84/12/641198412.db2.gz IYQJYDYSCCSDEP-VIFPVBQESA-N 0 0 218.260 2.255 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2cccnc2F)o1 ZINC000231741478 641199769 /nfs/dbraw/zinc/19/97/69/641199769.db2.gz MSYBYLFRQCPSGA-MRVPVSSYSA-N 0 0 249.245 2.008 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@H]2CCC=CO2)o1 ZINC000231999467 641225850 /nfs/dbraw/zinc/22/58/50/641225850.db2.gz COWFGHHACFDZHN-GHMZBOCLSA-N 0 0 222.288 2.326 10 0 BEAERN CCCc1c(CC2CCC2)nn(C)c1N ZINC000232161228 641249919 /nfs/dbraw/zinc/24/99/19/641249919.db2.gz UCVLWGGEZVPXDB-UHFFFAOYSA-N 0 0 207.321 2.297 10 0 BEAERN COc1ccsc1-c1[nH]nc(N)c1C ZINC000088028629 641254523 /nfs/dbraw/zinc/25/45/23/641254523.db2.gz DADAQAQXNDUCFM-UHFFFAOYSA-N 0 0 209.274 2.037 10 0 BEAERN CC(C)C(C)(C)CNC(=O)n1ccnc1 ZINC000232672393 641338198 /nfs/dbraw/zinc/33/81/98/641338198.db2.gz CDBJWDAZCSSZPM-UHFFFAOYSA-N 0 0 209.293 2.123 10 0 BEAERN C[C@H](OC(=O)C1CCC1)C1CCOCC1 ZINC000151577421 641422992 /nfs/dbraw/zinc/42/29/92/641422992.db2.gz KKKSXZBRGZHDML-VIFPVBQESA-N 0 0 212.289 2.145 10 0 BEAERN CC[C@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151677306 641456569 /nfs/dbraw/zinc/45/65/69/641456569.db2.gz MMVHDXNSRISVEB-UWVGGRQHSA-N 0 0 214.305 2.391 10 0 BEAERN CC[C@@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151677218 641456632 /nfs/dbraw/zinc/45/66/32/641456632.db2.gz MMVHDXNSRISVEB-ZJUUUORDSA-N 0 0 214.305 2.391 10 0 BEAERN CSCC(=O)N1CCCCCCC1 ZINC000042368835 641550869 /nfs/dbraw/zinc/55/08/69/641550869.db2.gz PYHQUDMFOPXUFP-UHFFFAOYSA-N 0 0 201.335 2.142 10 0 BEAERN CCCCC[C@@H](C)NC(=O)n1ccnc1 ZINC000042572711 641554652 /nfs/dbraw/zinc/55/46/52/641554652.db2.gz HGXDGWLDMZEAEU-SNVBAGLBSA-N 0 0 209.293 2.410 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1C(F)(F)F ZINC000043375702 641562279 /nfs/dbraw/zinc/56/22/79/641562279.db2.gz YDIBGYXFUOTKQM-UHFFFAOYSA-N 0 0 221.226 2.220 10 0 BEAERN COc1ccc(OCC[C@@H](O)C(C)C)cc1 ZINC000032014822 641711565 /nfs/dbraw/zinc/71/15/65/641711565.db2.gz JPMOUKXOXMHWEX-CYBMUJFWSA-N 0 0 224.300 2.481 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)n2ccnc2)o1 ZINC000049223524 641712382 /nfs/dbraw/zinc/71/23/82/641712382.db2.gz UENPXXYIADFHCG-VIFPVBQESA-N 0 0 219.244 2.103 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Oc2c(F)cccc2F)O1 ZINC000153415785 641783399 /nfs/dbraw/zinc/78/33/99/641783399.db2.gz KHIYPJUGIUJXPS-OIBJUYFYSA-N 0 0 242.221 2.438 10 0 BEAERN COC1CC(CSc2nc(CO)cs2)C1 ZINC000723390085 711510326 /nfs/dbraw/zinc/51/03/26/711510326.db2.gz QULJRCPMYZIWGI-UHFFFAOYSA-N 0 0 245.369 2.153 10 0 BEAERN O=C(N1C[C@@H]2CCC[C@@H]2C1)N1CCCCC1 ZINC000130415407 641869224 /nfs/dbraw/zinc/86/92/24/641869224.db2.gz BMHIIDNXZXFBMH-TXEJJXNPSA-N 0 0 222.332 2.324 10 0 BEAERN CCOC[C@@H](C)OC(=O)[C@H]1C[C@H]1C1CC1 ZINC000190707783 641881882 /nfs/dbraw/zinc/88/18/82/641881882.db2.gz FEYHNIGJGRNAAO-MIMYLULJSA-N 0 0 212.289 2.001 10 0 BEAERN CCOC[C@H](C)OC(=O)C(C)(Cl)Cl ZINC000190769645 641885392 /nfs/dbraw/zinc/88/53/92/641885392.db2.gz JUMZOEKSRSMYLZ-LURJTMIESA-N 0 0 229.103 2.148 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccoc1C ZINC000190794423 641887188 /nfs/dbraw/zinc/88/71/88/641887188.db2.gz FRDLTGWOWWIZIY-QMMMGPOBSA-N 0 0 212.245 2.170 10 0 BEAERN C=C[C@](C)(CCOC)COC(=O)[C@@H](C)COC ZINC000191170681 641904721 /nfs/dbraw/zinc/90/47/21/641904721.db2.gz CUGIHJSCMJVHNO-WCQYABFASA-N 0 0 244.331 2.041 10 0 BEAERN C/C=C(\CC)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000191180552 641906577 /nfs/dbraw/zinc/90/65/77/641906577.db2.gz KTACIAOQYXDKAK-BMRUEUJLSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCCC(F)(F)F ZINC000192105988 641961770 /nfs/dbraw/zinc/96/17/70/641961770.db2.gz CIBCCDQAVOOJMP-HTQZYQBOSA-N 0 0 240.221 2.297 10 0 BEAERN COCCCCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192108406 641962908 /nfs/dbraw/zinc/96/29/08/641962908.db2.gz HOXBFRYOINXTJN-VXGBXAGGSA-N 0 0 244.331 2.161 10 0 BEAERN CC(C)(C)SCC(=O)Nc1ccc(N)nc1 ZINC000061680529 642325834 /nfs/dbraw/zinc/32/58/34/642325834.db2.gz VVJWJLJNWZMQEM-UHFFFAOYSA-N 0 0 239.344 2.134 10 0 BEAERN C/C(=C/C(=O)O[C@H](C)[C@H]1CCOC1)C1CC1 ZINC000255276443 642331745 /nfs/dbraw/zinc/33/17/45/642331745.db2.gz RJLXJPWLSMCNFJ-UDNGQWLYSA-N 0 0 224.300 2.311 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000188036722 642343965 /nfs/dbraw/zinc/34/39/65/642343965.db2.gz CWDYONXOFIYDDV-GMTAPVOTSA-N 0 0 207.273 2.268 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)N[C@@H](C)[C@H](C)O ZINC000307991677 642363646 /nfs/dbraw/zinc/36/36/46/642363646.db2.gz JDNZRHAMGFMYSP-SDDRHHMPSA-N 0 0 229.364 2.334 10 0 BEAERN Cc1cc(C)cc([C@@H](N)c2ncccn2)c1 ZINC000037746161 642433607 /nfs/dbraw/zinc/43/36/07/642433607.db2.gz KBNWQQWFILUGAE-GFCCVEGCSA-N 0 0 213.284 2.142 10 0 BEAERN Cc1cc(C)cc([C@H](N)c2ncccn2)c1 ZINC000037746160 642434572 /nfs/dbraw/zinc/43/45/72/642434572.db2.gz KBNWQQWFILUGAE-LBPRGKRZSA-N 0 0 213.284 2.142 10 0 BEAERN CC1(C)CCC(NC(=O)n2ccnc2)CC1 ZINC000070621276 642437166 /nfs/dbraw/zinc/43/71/66/642437166.db2.gz DWKPMSYDKNCNIS-UHFFFAOYSA-N 0 0 221.304 2.410 10 0 BEAERN CCCCCCC(=O)NC[C@H](O)C(C)(C)C ZINC000305171986 642645729 /nfs/dbraw/zinc/64/57/29/642645729.db2.gz ULRADKPGPNXVJP-NSHDSACASA-N 0 0 229.364 2.480 10 0 BEAERN C[C@@H](OC(=O)CC(C)(C)C)[C@H]1CCOC1 ZINC000175299533 642672634 /nfs/dbraw/zinc/67/26/34/642672634.db2.gz KDZOAVIKPAKNPX-ZJUUUORDSA-N 0 0 214.305 2.391 10 0 BEAERN CC[C@H](C)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175226583 642662724 /nfs/dbraw/zinc/66/27/24/642662724.db2.gz DMHDZQXHFUVEME-LPEHRKFASA-N 0 0 200.278 2.001 10 0 BEAERN CCCSCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175225750 642663665 /nfs/dbraw/zinc/66/36/65/642663665.db2.gz ACEZXUFAEGQQBI-UWVGGRQHSA-N 0 0 232.345 2.098 10 0 BEAERN CSCCCCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175269233 642667828 /nfs/dbraw/zinc/66/78/28/642667828.db2.gz GTBZOEAQXUUBEO-QWRGUYRKSA-N 0 0 246.372 2.488 10 0 BEAERN Cc1cc(C(=O)O[C@H](C)[C@H]2CCOC2)c(C)o1 ZINC000175287267 642669254 /nfs/dbraw/zinc/66/92/54/642669254.db2.gz CFPDQGAAHAJWEM-KOLCDFICSA-N 0 0 238.283 2.478 10 0 BEAERN C[C@@H](OC(=O)CSC(C)(C)C)[C@H]1CCOC1 ZINC000175287682 642669898 /nfs/dbraw/zinc/66/98/98/642669898.db2.gz VSVIUPDVZNMKOU-ZJUUUORDSA-N 0 0 246.372 2.486 10 0 BEAERN C[C@H](OC(=O)C[C@H]1C=CCC1)[C@H]1CCOC1 ZINC000175285460 642670500 /nfs/dbraw/zinc/67/05/00/642670500.db2.gz FGOPQSKUTSGQHN-SRVKXCTJSA-N 0 0 224.300 2.311 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccc(Cl)nc1 ZINC000233754116 642691236 /nfs/dbraw/zinc/69/12/36/642691236.db2.gz RTVZWMJIQLTPLL-QMMMGPOBSA-N 0 0 243.690 2.317 10 0 BEAERN O=C(OCC(F)(F)F)[C@H]1C[C@H]1C1CC1 ZINC000175573337 642699239 /nfs/dbraw/zinc/69/92/39/642699239.db2.gz AQIPQLUETNDKKX-BQBZGAKWSA-N 0 0 208.179 2.138 10 0 BEAERN O=C(OCC(F)(F)F)[C@@H]1C[C@@H]1C1CC1 ZINC000175573389 642700351 /nfs/dbraw/zinc/70/03/51/642700351.db2.gz AQIPQLUETNDKKX-RNFRBKRXSA-N 0 0 208.179 2.138 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C)c(O)c1 ZINC000233946872 642713133 /nfs/dbraw/zinc/71/31/33/642713133.db2.gz MGNNRUKTNYNIGZ-AAEUAGOBSA-N 0 0 249.310 2.454 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)n1ccnc1 ZINC000068945317 642812223 /nfs/dbraw/zinc/81/22/23/642812223.db2.gz DJSCZPFJYOVBSA-JTQLQIEISA-N 0 0 209.293 2.266 10 0 BEAERN N[C@H](CF)c1c(F)c(F)c(F)c(F)c1F ZINC000238683289 642830791 /nfs/dbraw/zinc/83/07/91/642830791.db2.gz RODUFRFBGBFRKD-UWTATZPHSA-N 0 0 229.123 2.351 10 0 BEAERN CCc1ccc([C@H](C)NC(=S)NC)cc1 ZINC000013931095 642879533 /nfs/dbraw/zinc/87/95/33/642879533.db2.gz UIHSOQGGQIHCIP-VIFPVBQESA-N 0 0 222.357 2.404 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)n2ccnc2)[C@H](C)C1 ZINC000069677350 642894913 /nfs/dbraw/zinc/89/49/13/642894913.db2.gz PFEPVCODFNKKAU-GMTAPVOTSA-N 0 0 221.304 2.266 10 0 BEAERN COC[C@@H](C)C(=O)OCc1c(F)cccc1F ZINC000181971880 642932986 /nfs/dbraw/zinc/93/29/86/642932986.db2.gz VVYOEBPLRWPCLQ-MRVPVSSYSA-N 0 0 244.237 2.291 10 0 BEAERN COC(=O)COC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000182050828 642947281 /nfs/dbraw/zinc/94/72/81/642947281.db2.gz BLKAMNSJCKKBIL-VHSXEESVSA-N 0 0 242.315 2.165 10 0 BEAERN C[C@@H](OC(=O)Cc1cccs1)[C@H]1CCOC1 ZINC000175256695 643069934 /nfs/dbraw/zinc/06/99/34/643069934.db2.gz LIDMTETVQPWBSE-ZJUUUORDSA-N 0 0 240.324 2.259 10 0 BEAERN CO[C@H](C)CCC(=O)O[C@H](C)C1CCOCC1 ZINC000183327781 643106141 /nfs/dbraw/zinc/10/61/41/643106141.db2.gz ARKLGZHFAJRRBN-GHMZBOCLSA-N 0 0 244.331 2.160 10 0 BEAERN C#CCN(C(=O)[C@H]1CCCO[C@H]1C)C1CCCC1 ZINC000189267585 643136772 /nfs/dbraw/zinc/13/67/72/643136772.db2.gz XAPSALXXUMPOKF-JSGCOSHPSA-N 0 0 249.354 2.206 10 0 BEAERN C=COCCOC(=O)Cc1ccc2c(c1)CCC2 ZINC000183780223 643166369 /nfs/dbraw/zinc/16/63/69/643166369.db2.gz RLPKMMPRWUFHTC-UHFFFAOYSA-N 0 0 246.306 2.421 10 0 BEAERN N#CC1(COC(=O)[C@@H]2C[C@H]2C2CC2)CCC1 ZINC000183830908 643171384 /nfs/dbraw/zinc/17/13/84/643171384.db2.gz UEANOTHZXNVHBE-WDEREUQCSA-N 0 0 219.284 2.270 10 0 BEAERN COC[C@H](C)C(=O)OCC(Cl)(Cl)Cl ZINC000184611183 643222025 /nfs/dbraw/zinc/22/20/25/643222025.db2.gz MGYBRSHKPHIUQP-YFKPBYRVSA-N 0 0 249.521 2.182 10 0 BEAERN Nc1nc(Nc2cccnc2)nc2ccccc12 ZINC000072261002 643229719 /nfs/dbraw/zinc/22/97/19/643229719.db2.gz PCPNMDFNDWBCFU-UHFFFAOYSA-N 0 0 237.266 2.351 10 0 BEAERN Cc1nc(C(=O)CC(C)C)sc1CCO ZINC000757121368 643237776 /nfs/dbraw/zinc/23/77/76/643237776.db2.gz AQQDPVGBKBPUIP-UHFFFAOYSA-N 0 0 227.329 2.215 10 0 BEAERN CCc1nc(C(=O)C2(C)CC2)sc1N ZINC000757122016 643238441 /nfs/dbraw/zinc/23/84/41/643238441.db2.gz DIXYOGCEPDBDCE-UHFFFAOYSA-N 0 0 210.302 2.271 10 0 BEAERN Cc1cc(-c2nn(C)c(N)c2C)c(C)o1 ZINC000034976111 643248822 /nfs/dbraw/zinc/24/88/22/643248822.db2.gz MIMIXIXOWGSPAQ-UHFFFAOYSA-N 0 0 205.261 2.188 10 0 BEAERN C[C@@H](O)c1ccn(Cc2c(F)cccc2F)n1 ZINC000185479431 643313536 /nfs/dbraw/zinc/31/35/36/643313536.db2.gz OIPQDBZQQWZDMF-MRVPVSSYSA-N 0 0 238.237 2.263 10 0 BEAERN CC[C@@H](C)c1noc([C@H](N)CCSC)n1 ZINC000082561150 643343056 /nfs/dbraw/zinc/34/30/56/643343056.db2.gz LOMOFQYNWIJRRD-HTQZYQBOSA-N 0 0 229.349 2.336 10 0 BEAERN CC(=O)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000082644912 643361365 /nfs/dbraw/zinc/36/13/65/643361365.db2.gz UYLKXXPAMJDWNX-LBPRGKRZSA-N 0 0 218.300 2.195 10 0 BEAERN COC(=O)[C@H](CO)C1CCCCCCC1 ZINC000757192729 643365663 /nfs/dbraw/zinc/36/56/63/643365663.db2.gz RIUFWRBDNVKKHE-LLVKDONJSA-N 0 0 214.305 2.128 10 0 BEAERN COC[C@H](C)COC(=O)Cc1cccc(F)c1 ZINC000185710972 643367996 /nfs/dbraw/zinc/36/79/96/643367996.db2.gz TZZUESXPFAKVLY-JTQLQIEISA-N 0 0 240.274 2.194 10 0 BEAERN C[C@@H]1CCNc2cc(C3CCOCC3)nn21 ZINC000235334132 643370982 /nfs/dbraw/zinc/37/09/82/643370982.db2.gz SIVPNZDSJCFIRS-SECBINFHSA-N 0 0 221.304 2.154 10 0 BEAERN O=C1C[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000082762336 643375992 /nfs/dbraw/zinc/37/59/92/643375992.db2.gz GERKTRYDYRXATD-QMMMGPOBSA-N 0 0 244.063 2.149 10 0 BEAERN CC[C@H]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000082847983 643385616 /nfs/dbraw/zinc/38/56/16/643385616.db2.gz BXZFWMRQEILTQS-WDEREUQCSA-N 0 0 221.304 2.410 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)N1CCCCCC1 ZINC000234079152 643452166 /nfs/dbraw/zinc/45/21/66/643452166.db2.gz DAGIXUFJRHOMFC-NWDGAFQWSA-N 0 0 225.332 2.204 10 0 BEAERN CCc1c(N)n[nH]c1-c1sc(C)nc1C ZINC000234139771 643519635 /nfs/dbraw/zinc/51/96/35/643519635.db2.gz WEIKRPQFEVHJOR-UHFFFAOYSA-N 0 0 222.317 2.295 10 0 BEAERN Cc1nc2ccccc2nc1N[C@H](C)[C@@H](C)O ZINC000343796649 643528410 /nfs/dbraw/zinc/52/84/10/643528410.db2.gz SZCYEKFOARWTMP-PSASIEDQSA-N 0 0 231.299 2.119 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1csc2ccccc12 ZINC000346476311 643573580 /nfs/dbraw/zinc/57/35/80/643573580.db2.gz SNUBLPQAFXNOKQ-RKDXNWHRSA-N 0 0 249.335 2.400 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C1CCC1 ZINC000177728935 643581940 /nfs/dbraw/zinc/58/19/40/643581940.db2.gz ZVKAUYMEPLKUFO-YWVKMMECSA-N 0 0 212.289 2.286 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)Nc1cccc(Cl)c1 ZINC000348153580 643586843 /nfs/dbraw/zinc/58/68/43/643586843.db2.gz IWAIPUMYKHQNNF-JGVFFNPUSA-N 0 0 242.706 2.231 10 0 BEAERN CCc1nn([C@@H]2CCSC2)c(CC)c1N ZINC000405269327 643594539 /nfs/dbraw/zinc/59/45/39/643594539.db2.gz NRJYQBITQRROMT-MRVPVSSYSA-N 0 0 225.361 2.268 10 0 BEAERN FC(F)(F)c1nc2n(n1)[C@H]1CCC[C@@H]1CN2 ZINC000236116081 643594763 /nfs/dbraw/zinc/59/47/63/643594763.db2.gz YKEJUWCCRISHOT-RITPCOANSA-N 0 0 232.209 2.064 10 0 BEAERN c1csc(-c2cc3n(n2)CCCN3)c1 ZINC000049454029 643620269 /nfs/dbraw/zinc/62/02/69/643620269.db2.gz KNDALLDZORQLDY-UHFFFAOYSA-N 0 0 205.286 2.427 10 0 BEAERN Cc1nn(C)cc1-c1ccc(C=O)cc1 ZINC000085017740 643679906 /nfs/dbraw/zinc/67/99/06/643679906.db2.gz FVQGQFWCPHGPEG-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN C[C@H](OC(=O)[C@H]1CCCO[C@H]1C)C(F)(F)F ZINC000192240328 644139739 /nfs/dbraw/zinc/13/97/39/644139739.db2.gz GAJMDWAZNZNWBJ-FXQIFTODSA-N 0 0 240.221 2.296 10 0 BEAERN CC(C)Oc1ncc(N)cc1Br ZINC000086481758 644141222 /nfs/dbraw/zinc/14/12/22/644141222.db2.gz UEPJSSGGHYLRGU-UHFFFAOYSA-N 0 0 231.093 2.214 10 0 BEAERN CC(=O)CCCC(=O)O[C@H](C)C1CCOCC1 ZINC000192434537 644152935 /nfs/dbraw/zinc/15/29/35/644152935.db2.gz XZLUOMJXAWKGAH-LLVKDONJSA-N 0 0 242.315 2.104 10 0 BEAERN Cc1ccc(C(=O)O[C@@H](C)[C@@H]2CCOC2)o1 ZINC000079186710 644161329 /nfs/dbraw/zinc/16/13/29/644161329.db2.gz BYTUKHJVGWJWQL-VHSXEESVSA-N 0 0 224.256 2.170 10 0 BEAERN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)[C@H]1C[C@H]1C ZINC000321922461 644182345 /nfs/dbraw/zinc/18/23/45/644182345.db2.gz RGLCMPHTJMQLPA-YWVKMMECSA-N 0 0 246.310 2.474 10 0 BEAERN Clc1cccc(N[C@H]2CCCn3ncnc32)n1 ZINC000192799067 644184645 /nfs/dbraw/zinc/18/46/45/644184645.db2.gz ZDBHNJAIPWMIDR-QMMMGPOBSA-N 0 0 249.705 2.274 10 0 BEAERN CCO[C@@H]1C[C@@H]1COC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000193152747 644218172 /nfs/dbraw/zinc/21/81/72/644218172.db2.gz DMHPJZGOTQKJKV-DDHJBXDOSA-N 0 0 224.300 2.001 10 0 BEAERN Cc1ccc(C[C@H](C)NC(=O)n2ccnc2)s1 ZINC000080251921 644241684 /nfs/dbraw/zinc/24/16/84/644241684.db2.gz QUSSCKPNWLSPHT-VIFPVBQESA-N 0 0 249.339 2.442 10 0 BEAERN Cc1cc(COC(=O)[C@H]2CC[C@@H](C)O2)ns1 ZINC000193511156 644249718 /nfs/dbraw/zinc/24/97/18/644249718.db2.gz VZNJCHUSSADGJA-GMSGAONNSA-N 0 0 241.312 2.062 10 0 BEAERN Cc1cc(COC(=O)[C@@H]2CC[C@@H](C)O2)ns1 ZINC000193511141 644249903 /nfs/dbraw/zinc/24/99/03/644249903.db2.gz VZNJCHUSSADGJA-XCBNKYQSSA-N 0 0 241.312 2.062 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H](c2cccs2)[NH2+]1 ZINC000074148763 644271395 /nfs/dbraw/zinc/27/13/95/644271395.db2.gz SXTZUMYWXCTLPU-YUMQZZPRSA-N 0 0 211.286 2.016 10 0 BEAERN C[C@@H]1C[NH2+]CC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000082366468 644374043 /nfs/dbraw/zinc/37/40/43/644374043.db2.gz MIFQXXWACZQKDR-BXKDBHETSA-N 0 0 219.284 2.098 10 0 BEAERN CCC1CCC(NC(=O)C[C@@H](C)OC)CC1 ZINC000195362346 644382675 /nfs/dbraw/zinc/38/26/75/644382675.db2.gz AJPFYKZLYIHCJQ-VOMCLLRMSA-N 0 0 227.348 2.496 10 0 BEAERN O=Cc1sc(-n2cc(Cl)cn2)nc1Cl ZINC000087768005 644501825 /nfs/dbraw/zinc/50/18/25/644501825.db2.gz UEFSVVTXWFVVRM-UHFFFAOYSA-N 0 0 248.094 2.448 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)O[C@H]2COc3ccccc32)O1 ZINC000246057625 644560839 /nfs/dbraw/zinc/56/08/39/644560839.db2.gz AJVOJBRCHWHSNA-ICCXJUOJSA-N 0 0 248.278 2.231 10 0 BEAERN CCCCOC(=O)[C@H](C)N1CCS[C@@H](C)C1 ZINC000246498725 644591281 /nfs/dbraw/zinc/59/12/81/644591281.db2.gz AXYLYBDMFUFTST-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCC[C@H]2CCCO2)O1 ZINC000248500105 644684158 /nfs/dbraw/zinc/68/41/58/644684158.db2.gz NDLDHJRICDMKHP-IJLUTSLNSA-N 0 0 242.315 2.056 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC2C[C@@H](C)O[C@H](C)C2)O1 ZINC000248520817 644686565 /nfs/dbraw/zinc/68/65/65/644686565.db2.gz RDLNILGWXFPQFT-BFLSOPEQSA-N 0 0 242.315 2.053 10 0 BEAERN CCC/C=C\c1nnnn1-c1ccccc1 ZINC000096696796 644831987 /nfs/dbraw/zinc/83/19/87/644831987.db2.gz KXPUYTNZBIILAI-YHYXMXQVSA-N 0 0 214.272 2.476 10 0 BEAERN c1nn(C2CCSCC2)c2cccnc12 ZINC000757122151 644863542 /nfs/dbraw/zinc/86/35/42/644863542.db2.gz QIMMGYRBPGDYDT-UHFFFAOYSA-N 0 0 219.313 2.499 10 0 BEAERN COc1ccc(C23CC(C2)C(=O)C3)cc1 ZINC000757541538 644870654 /nfs/dbraw/zinc/87/06/54/644870654.db2.gz HDJWMJUVKJHVKP-UHFFFAOYSA-N 0 0 202.253 2.316 10 0 BEAERN O=C(Nc1ccc(Cl)nn1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253067025 644931386 /nfs/dbraw/zinc/93/13/86/644931386.db2.gz JRBDJJSBDLSQRY-RNLVFQAGSA-N 0 0 237.690 2.115 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2n[nH]c3ccccc32)O1 ZINC000127786236 645829004 /nfs/dbraw/zinc/82/90/04/645829004.db2.gz SPRUGFUWDYJUSO-KWQFWETISA-N 0 0 245.282 2.069 10 0 BEAERN C[C@H]1CCCC[C@H]1N(C)c1ncc(C=O)cn1 ZINC000126301351 645929668 /nfs/dbraw/zinc/92/96/68/645929668.db2.gz XTYIQGDFKDZQQN-CMPLNLGQSA-N 0 0 233.315 2.304 10 0 BEAERN CCCCCCNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000125112397 711717227 /nfs/dbraw/zinc/71/72/27/711717227.db2.gz JNQRKJSJULZNPN-VXGBXAGGSA-N 0 0 242.363 2.433 10 0 BEAERN Clc1cnc(CN2C[C@@H]3CCC[C@@H]32)cn1 ZINC000706916945 711930148 /nfs/dbraw/zinc/93/01/48/711930148.db2.gz UEAYNMCTEUIHHB-WPRPVWTQSA-N 0 0 223.707 2.114 10 0 BEAERN CC(C)C[C@@H](N)c1nc([C@@H]2CC23CC3)no1 ZINC000700429659 711993817 /nfs/dbraw/zinc/99/38/17/711993817.db2.gz UXZXQDFZACQLEI-DTWKUNHWSA-N 0 0 221.304 2.383 10 0 BEAERN O=C(N[C@H]1CCCC(F)(F)C1)n1ccnc1 ZINC000702565720 712055770 /nfs/dbraw/zinc/05/57/70/712055770.db2.gz NOBPTKQHRADFCY-QMMMGPOBSA-N 0 0 229.230 2.019 10 0 BEAERN FC1(F)CCCC[C@H]1CN1CC=CCN1 ZINC000705224137 712124618 /nfs/dbraw/zinc/12/46/18/712124618.db2.gz OQLMDSGIUVSYCU-JTQLQIEISA-N 0 0 216.275 2.188 10 0 BEAERN CSC1CC(NC(=O)c2ccccc2F)C1 ZINC000707291978 712169487 /nfs/dbraw/zinc/16/94/87/712169487.db2.gz ZNDQUDBSOXMAGZ-UHFFFAOYSA-N 0 0 239.315 2.450 10 0 BEAERN CCC[C@H](C)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707804866 712178973 /nfs/dbraw/zinc/17/89/73/712178973.db2.gz GGIWXYFBHSWCOG-CMPLNLGQSA-N 0 0 225.332 2.250 10 0 BEAERN CC(C)OC(=O)N1CC[C@@H](c2nccs2)C1 ZINC000710593470 712264098 /nfs/dbraw/zinc/26/40/98/712264098.db2.gz BCWAJLXAGBPMIE-SECBINFHSA-N 0 0 240.328 2.477 10 0 BEAERN CCCc1nccnc1N[C@@H](CC)C[C@@H](C)O ZINC000716814210 712576223 /nfs/dbraw/zinc/57/62/23/712576223.db2.gz HYFWCCUIYPUZPP-MNOVXSKESA-N 0 0 237.347 2.391 10 0 BEAERN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000380869627 710592019 /nfs/dbraw/zinc/59/20/19/710592019.db2.gz JRUGCYBXTUZNPB-QEFZOKHDSA-N 0 0 225.332 2.010 10 0 BEAERN OCC[C@@H]1CCN(Cc2scnc2Cl)C1 ZINC000721927264 710691887 /nfs/dbraw/zinc/69/18/87/710691887.db2.gz AYHMDHPENPYJGD-QMMMGPOBSA-N 0 0 246.763 2.001 10 0 BEAERN C[C@H](NC(=O)[C@H]1CNc2ccccc21)C1CC1 ZINC000134027681 711478783 /nfs/dbraw/zinc/47/87/83/711478783.db2.gz FLMXPERLSVLKEN-CABZTGNLSA-N 0 0 230.311 2.110 10 0 BEAERN Cc1nn(-c2ncccc2C=O)c(C)c1Cl ZINC000235945494 711486456 /nfs/dbraw/zinc/48/64/56/711486456.db2.gz CPAGBZCBLZLHQZ-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN Cc1cn(C)nc1COc1cccc([C@@H](C)O)c1 ZINC000723976805 711549894 /nfs/dbraw/zinc/54/98/94/711549894.db2.gz QDNSWWCQCZIPAA-LLVKDONJSA-N 0 0 246.310 2.361 10 0 BEAERN CN(Cc1ccoc1)C(=O)N1CCCCC1 ZINC000136144974 711688068 /nfs/dbraw/zinc/68/80/68/711688068.db2.gz LPFPIYOWFCLACQ-UHFFFAOYSA-N 0 0 222.288 2.317 10 0 BEAERN CN(Cc1cscn1)C(=O)N1CCCCC1 ZINC000136224802 711691422 /nfs/dbraw/zinc/69/14/22/711691422.db2.gz XGGMCKBOZLLHBT-UHFFFAOYSA-N 0 0 239.344 2.181 10 0 BEAERN O=C(OCCC(F)(F)F)c1cccnc1 ZINC000128632526 711742552 /nfs/dbraw/zinc/74/25/52/711742552.db2.gz IZDVUOCCBYQZKA-UHFFFAOYSA-N 0 0 219.162 2.191 10 0 BEAERN C1CC(c2nc3n(n2)[C@H]2CCC[C@@H]2CN3)C1 ZINC000232572041 711760972 /nfs/dbraw/zinc/76/09/72/711760972.db2.gz ZBENSINPCIKVIE-ZJUUUORDSA-N 0 0 218.304 2.312 10 0 BEAERN c1csc([C@@H]2CCNc3ccnn32)c1 ZINC000232463042 711776971 /nfs/dbraw/zinc/77/69/71/711776971.db2.gz LJSYFQXLIPLNRD-QMMMGPOBSA-N 0 0 205.286 2.350 10 0 BEAERN CCCc1nccnc1N1CCC[C@@H](CO)CC1 ZINC000700229470 711988082 /nfs/dbraw/zinc/98/80/82/711988082.db2.gz CGYSWGXUJLOJGY-GFCCVEGCSA-N 0 0 249.358 2.028 10 0 BEAERN CC(C)OC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700702042 712003912 /nfs/dbraw/zinc/00/39/12/712003912.db2.gz AASHJNVFHFAFQD-GFCCVEGCSA-N 0 0 220.268 2.080 10 0 BEAERN Cc1cccc(C(=O)O[C@H]2COC[C@H]2C)c1F ZINC000705812133 712135797 /nfs/dbraw/zinc/13/57/97/712135797.db2.gz IJPLUQBFNDYNTP-KOLCDFICSA-N 0 0 238.258 2.326 10 0 BEAERN O=Cc1ccc(-c2cn3c(n2)CCCC3)o1 ZINC000706321509 712143957 /nfs/dbraw/zinc/14/39/57/712143957.db2.gz ZBPCHWQPRXUPOT-UHFFFAOYSA-N 0 0 216.240 2.292 10 0 BEAERN Cc1ccc(O)cc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000706749809 712153992 /nfs/dbraw/zinc/15/39/92/712153992.db2.gz KIWFKJCFISFYQU-GXFFZTMASA-N 0 0 231.295 2.325 10 0 BEAERN CNc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000706754515 712154044 /nfs/dbraw/zinc/15/40/44/712154044.db2.gz NKYASIYEWSNHBZ-CMPLNLGQSA-N 0 0 245.326 2.056 10 0 BEAERN COc1cccc(O)c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000706845653 712158379 /nfs/dbraw/zinc/15/83/79/712158379.db2.gz DWBMOVHIZZEWMC-NXEZZACHSA-N 0 0 247.294 2.025 10 0 BEAERN CSC1CC(NC(=O)c2ccccc2O)C1 ZINC000707246886 712167719 /nfs/dbraw/zinc/16/77/19/712167719.db2.gz ORPLBDCFPHKRDC-UHFFFAOYSA-N 0 0 237.324 2.016 10 0 BEAERN CC(C)OC(=O)NCC[C@H]1CCSC1 ZINC000707768947 712177647 /nfs/dbraw/zinc/17/76/47/712177647.db2.gz ULWXQQCHYVYLPV-VIFPVBQESA-N 0 0 217.334 2.264 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000707784504 712178624 /nfs/dbraw/zinc/17/86/24/712178624.db2.gz HKWGAZCHZQKGFK-LBPRGKRZSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC000707830786 712179344 /nfs/dbraw/zinc/17/93/44/712179344.db2.gz ALFXRUZOHXYOFR-LLVKDONJSA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000707833242 712180034 /nfs/dbraw/zinc/18/00/34/712180034.db2.gz HRPGYQXVNKWHEQ-GFCCVEGCSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000707854469 712180449 /nfs/dbraw/zinc/18/04/49/712180449.db2.gz ANCWNGVQQJNAMB-LLVKDONJSA-N 0 0 249.285 2.267 10 0 BEAERN CSC1CC(Nc2ncnc3[nH]ccc32)C1 ZINC000708249514 712184812 /nfs/dbraw/zinc/18/48/12/712184812.db2.gz RAHQIBJRJCFETQ-UHFFFAOYSA-N 0 0 234.328 2.264 10 0 BEAERN CSC1CC(Nc2nccnc2C)C1 ZINC000708258144 712185018 /nfs/dbraw/zinc/18/50/18/712185018.db2.gz OXVHIVLQONCMJD-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN CSC1CC(Nc2nc(C)cnc2C)C1 ZINC000708290166 712185698 /nfs/dbraw/zinc/18/56/98/712185698.db2.gz NBMWGEYSKKZHHY-UHFFFAOYSA-N 0 0 223.345 2.399 10 0 BEAERN C[C@H](CSC[C@H](O)CO)CC(C)(C)C ZINC000709152338 712210725 /nfs/dbraw/zinc/21/07/25/712210725.db2.gz OOORNCNPPGOWGM-VHSXEESVSA-N 0 0 220.378 2.145 10 0 BEAERN CC(C)c1nn(C)cc1N[C@H](C)c1cn(C)cn1 ZINC000710009967 712240111 /nfs/dbraw/zinc/24/01/11/712240111.db2.gz CCZUKNFNURHJOJ-SNVBAGLBSA-N 0 0 247.346 2.450 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000710114962 712245764 /nfs/dbraw/zinc/24/57/64/712245764.db2.gz DRSSOWKAEDKROS-GFCCVEGCSA-N 0 0 245.326 2.159 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC000710939739 712266822 /nfs/dbraw/zinc/26/68/22/712266822.db2.gz VJJDRXFSYAVISU-JVWICGRDSA-N 0 0 249.354 2.394 10 0 BEAERN C[C@@H](O)c1cccc(OCCOC2CC2)c1 ZINC000711744676 712325852 /nfs/dbraw/zinc/32/58/52/712325852.db2.gz CPUHZRSEVNARGS-SNVBAGLBSA-N 0 0 222.284 2.298 10 0 BEAERN Cc1cnc([C@H](C)NC/C=C\Cl)o1 ZINC000379300901 712372246 /nfs/dbraw/zinc/37/22/46/712372246.db2.gz SLXIUSQXRBAUQW-VEMNSZJBSA-N 0 0 200.669 2.386 10 0 BEAERN CCc1nc(C)cn1Cc1nccn1CC ZINC000715099200 712508892 /nfs/dbraw/zinc/50/88/92/712508892.db2.gz UXMYRELREDBMKK-UHFFFAOYSA-N 0 0 218.304 2.019 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000716851542 712578506 /nfs/dbraw/zinc/57/85/06/712578506.db2.gz ZWADSEKMZVYPMC-RQJABVFESA-N 0 0 249.354 2.250 10 0 BEAERN CC(C)(C(=O)O[C@H]1CCOC1)c1cccs1 ZINC000115913871 712617036 /nfs/dbraw/zinc/61/70/36/712617036.db2.gz RBZCFUOJOQWHHF-VIFPVBQESA-N 0 0 240.324 2.358 10 0 BEAERN CC(C)OC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000717367635 712652470 /nfs/dbraw/zinc/65/24/70/712652470.db2.gz ASPINWWJACLUSD-SNVBAGLBSA-N 0 0 229.320 2.326 10 0 BEAERN CC(=O)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000047979736 712722926 /nfs/dbraw/zinc/72/29/26/712722926.db2.gz YJLAJEVEMNEEKM-UHFFFAOYSA-N 0 0 205.301 2.406 10 0 BEAERN CCONC(=O)N[C@H]1CCCc2ccccc21 ZINC000193099361 712727642 /nfs/dbraw/zinc/72/76/42/712727642.db2.gz PAXRFWOFNOABBS-LBPRGKRZSA-N 0 0 234.299 2.315 10 0 BEAERN CCc1csc(N[C@@H](C)c2cn(C)nn2)n1 ZINC000720584661 712854992 /nfs/dbraw/zinc/85/49/92/712854992.db2.gz TXUOBJAVUDNVFM-ZETCQYMHSA-N 0 0 237.332 2.007 10 0 BEAERN C[C@@H](Nc1nc2ccccc2o1)c1cn(C)nn1 ZINC000720603841 712858089 /nfs/dbraw/zinc/85/80/89/712858089.db2.gz VMZWUOPEONLWFW-MRVPVSSYSA-N 0 0 243.270 2.129 10 0 BEAERN CC/C=C\COC(=O)c1cc(C(=O)OC)co1 ZINC000588456489 958581209 /nfs/dbraw/zinc/58/12/09/958581209.db2.gz OCNDMPUCWLJHOE-PLNGDYQASA-N 0 0 238.239 2.189 10 0 BEAERN COc1cccc(Sc2ncc(C=O)cn2)c1 ZINC000128744365 1165796585 /nfs/dbraw/zinc/79/65/85/1165796585.db2.gz UHSZDUKMBYGKBS-UHFFFAOYSA-N 0 0 246.291 2.449 10 0 BEAERN CCC[C@@H](C[N@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692119978 968912275 /nfs/dbraw/zinc/91/22/75/968912275.db2.gz NIJNYGLJRXDBQA-NSHDSACASA-N 0 0 245.363 2.234 10 0 BEAERN CCC[C@H](C[N@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692119977 968912287 /nfs/dbraw/zinc/91/22/87/968912287.db2.gz NIJNYGLJRXDBQA-LLVKDONJSA-N 0 0 245.363 2.234 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2N)C1 ZINC000129222662 1166159628 /nfs/dbraw/zinc/15/96/28/1166159628.db2.gz ZNGYKGSZOUOSIM-IUCAKERBSA-N 0 0 236.290 2.326 10 0 BEAERN CC(C)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000694537625 968944564 /nfs/dbraw/zinc/94/45/64/968944564.db2.gz GAGMFTXMUZRSNU-NWDGAFQWSA-N 0 0 225.332 2.218 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2cc(F)ccc2N)C1 ZINC000036882814 1166558065 /nfs/dbraw/zinc/55/80/65/1166558065.db2.gz XXYHZAMJDFMQSH-SECBINFHSA-N 0 0 236.290 2.280 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1CC(C)(C)C1(C)C ZINC000690229191 976280889 /nfs/dbraw/zinc/28/08/89/976280889.db2.gz VLVMTLWNCJOTEM-RMKNXTFCSA-N 0 0 211.305 2.138 10 0 BEAERN CCC(CC)([NH2+]Cc1ccnc(C)c1)C(=O)[O-] ZINC000697768194 976862032 /nfs/dbraw/zinc/86/20/32/976862032.db2.gz VDHJFJCMTCYXHS-UHFFFAOYSA-N 0 0 236.315 2.123 10 0 BEAERN CC(C)(F)CC[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000698222819 976884099 /nfs/dbraw/zinc/88/40/99/976884099.db2.gz UOJJQDUTYGVSIC-UHFFFAOYSA-N 0 0 246.307 2.069 10 0 BEAERN O=C([O-])c1occc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701942962 977054894 /nfs/dbraw/zinc/05/48/94/977054894.db2.gz FCORBJRYFRNYJJ-QMMMGPOBSA-N 0 0 245.225 2.113 10 0 BEAERN CC(C)([NH2+]C[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000709414759 977457799 /nfs/dbraw/zinc/45/77/99/977457799.db2.gz LSGQQBHCBZSCHK-ILDUYXDCSA-N 0 0 225.332 2.266 10 0 BEAERN CCOc1ccc(C(=O)N2CCCC2(C)C)cn1 ZINC000102918540 971112269 /nfs/dbraw/zinc/11/22/69/971112269.db2.gz OPZJFEYZCXYPCX-UHFFFAOYSA-N 0 0 248.326 2.495 10 0 BEAERN Cc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c(F)c1 ZINC000686308001 954609031 /nfs/dbraw/zinc/60/90/31/954609031.db2.gz ARSAEQWZKOCDFL-SNVBAGLBSA-N 0 0 239.290 2.287 10 0 BEAERN CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)[O-])CO1 ZINC000688534455 954627630 /nfs/dbraw/zinc/62/76/30/954627630.db2.gz DVHWLLYZAIJQMJ-VXGBXAGGSA-N 0 0 249.310 2.042 10 0 BEAERN CC(C)C[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000693453601 954754614 /nfs/dbraw/zinc/75/46/14/954754614.db2.gz ZEBMYYWSSAECEF-SDDRHHMPSA-N 0 0 227.348 2.464 10 0 BEAERN CC[C@@H]([NH2+][C@H]1CCC12CCCC2)C(=O)[O-] ZINC000694398436 954774902 /nfs/dbraw/zinc/77/49/02/954774902.db2.gz RRCIWKMOJUNZAE-ZJUUUORDSA-N 0 0 211.305 2.162 10 0 BEAERN Cc1cncc(/C=C\C(=O)O[C@@H]2CCO[C@H]2C)c1 ZINC000588492463 958820766 /nfs/dbraw/zinc/82/07/66/958820766.db2.gz BUZQRLJFGBLXGU-BOYPOZMQSA-N 0 0 247.294 2.124 10 0 BEAERN C/C(=C/C(C)(C)C)C(=O)OCc1nccn1C ZINC000588508466 958874229 /nfs/dbraw/zinc/87/42/29/958874229.db2.gz IYDUXLGDAGKYDE-NTMALXAHSA-N 0 0 236.315 2.456 10 0 BEAERN CCO[C@@H]1C[C@H]1COC(=O)/C=C\c1cccnc1 ZINC000588599868 959574052 /nfs/dbraw/zinc/57/40/52/959574052.db2.gz ICDDRFSGLYTYCH-AGFGORMFSA-N 0 0 247.294 2.063 10 0 BEAERN CC/C=C\COC(=O)COC(C)(C)C ZINC000588395699 960028477 /nfs/dbraw/zinc/02/84/77/960028477.db2.gz AYWYAYHGXSPPCU-SREVYHEPSA-N 0 0 200.278 2.311 10 0 BEAERN O=C([O-])CC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705576675 969010037 /nfs/dbraw/zinc/01/00/37/969010037.db2.gz CJOTZJIXOVNGMZ-UHFFFAOYSA-N 0 0 249.644 2.183 10 0 BEAERN CC[N@H+](CCCC(C)C)[C@@H](C)C(=O)[O-] ZINC000707970244 969031423 /nfs/dbraw/zinc/03/14/23/969031423.db2.gz ASDBMNKXFQVNRJ-JTQLQIEISA-N 0 0 201.310 2.218 10 0 BEAERN C[C@H]([NH2+]CCCC(=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000709121200 969038264 /nfs/dbraw/zinc/03/82/64/969038264.db2.gz DOMMRUKPTXEBRL-LOWVWBTDSA-N 0 0 225.332 2.410 10 0 BEAERN C[C@H]1[C@@H](C)[N@@H+](CCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000399815007 973241893 /nfs/dbraw/zinc/24/18/93/973241893.db2.gz YDPURPAEGSDAOW-GMTAPVOTSA-N 0 0 227.348 2.464 10 0 BEAERN C[C@H]([NH3+])c1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000669379629 975998672 /nfs/dbraw/zinc/99/86/72/975998672.db2.gz GFRYWPVBQMSBCG-YFKPBYRVSA-N 0 0 238.268 2.121 10 0 BEAERN CCC1CCC([NH2+]CCSC)(C(=O)[O-])CC1 ZINC000687812722 976158030 /nfs/dbraw/zinc/15/80/30/976158030.db2.gz KDCJMMHGJWVQCU-UHFFFAOYSA-N 0 0 245.388 2.363 10 0 BEAERN CCCC[C@@H]([NH2+]CC1CC(C)C1)C(=O)[O-] ZINC000691026136 976344396 /nfs/dbraw/zinc/34/43/96/976344396.db2.gz HYKZKKPLZPRHGP-VQXHTEKXSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)(C)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691868608 976387484 /nfs/dbraw/zinc/38/74/84/976387484.db2.gz SABGIXDWWQEFGA-NXEZZACHSA-N 0 0 243.347 2.033 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CCSC(F)(F)F ZINC000694034396 976663773 /nfs/dbraw/zinc/66/37/73/976663773.db2.gz CRCVVBKJFVHXDA-UHFFFAOYSA-N 0 0 245.266 2.082 10 0 BEAERN CCCC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)[O-] ZINC000694376582 976692018 /nfs/dbraw/zinc/69/20/18/976692018.db2.gz WDQKQZVEKTYUGI-KXNHARMFSA-N 0 0 225.332 2.408 10 0 BEAERN C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])C[C@H](C)O1 ZINC000694790777 976723755 /nfs/dbraw/zinc/72/37/55/976723755.db2.gz SMYAPUQWALJYAQ-JGPRNRPPSA-N 0 0 243.347 2.033 10 0 BEAERN CCCC[C@H]([NH2+]CCC1(C)CC1)C(=O)[O-] ZINC000698068944 976874837 /nfs/dbraw/zinc/87/48/37/976874837.db2.gz HDVGYVINWBCPTJ-JTQLQIEISA-N 0 0 213.321 2.410 10 0 BEAERN CCC(CC)([NH2+]CC[C@@H]1CCCCO1)C(=O)[O-] ZINC000699663417 976926468 /nfs/dbraw/zinc/92/64/68/976926468.db2.gz JYUODISPTIPZSI-NSHDSACASA-N 0 0 243.347 2.179 10 0 BEAERN CCC(CC)([NH2+]CC[C@H]1CCCCO1)C(=O)[O-] ZINC000699663414 976927338 /nfs/dbraw/zinc/92/73/38/976927338.db2.gz JYUODISPTIPZSI-LLVKDONJSA-N 0 0 243.347 2.179 10 0 BEAERN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000701733330 977036495 /nfs/dbraw/zinc/03/64/95/977036495.db2.gz KWGUOZREFCHHJS-NEPJUHHUSA-N 0 0 243.347 2.129 10 0 BEAERN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC000701821297 977042958 /nfs/dbraw/zinc/04/29/58/977042958.db2.gz GDADOSNLMXSLLK-TXEJJXNPSA-N 0 0 231.295 2.145 10 0 BEAERN Cc1ccc(CN2CC[C@H](F)C2)cc1C(=O)[O-] ZINC000701825162 977045048 /nfs/dbraw/zinc/04/50/48/977045048.db2.gz CZSIFIWTXGYVSY-NSHDSACASA-N 0 0 237.274 2.237 10 0 BEAERN CC1(C)C[C@@]1(C)[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000702022887 977060162 /nfs/dbraw/zinc/06/01/62/977060162.db2.gz MRXSIHJZDBGCPF-LLVKDONJSA-N 0 0 240.328 2.120 10 0 BEAERN C[C@@H](F)CC[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000702562081 977090479 /nfs/dbraw/zinc/09/04/79/977090479.db2.gz HHHMTXVNIZNHMK-SECBINFHSA-N 0 0 225.263 2.223 10 0 BEAERN CCCCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000702744379 977118362 /nfs/dbraw/zinc/11/83/62/977118362.db2.gz XPDPPMOUGXZSQG-DGCLKSJQSA-N 0 0 243.347 2.131 10 0 BEAERN CC[C@@H]([NH2+]C[C@H]1CCCC12CC2)C(=O)[O-] ZINC000706207936 977310079 /nfs/dbraw/zinc/31/00/79/977310079.db2.gz PPOVXSBNAKTWBQ-NXEZZACHSA-N 0 0 211.305 2.020 10 0 BEAERN CC[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C(=O)[O-] ZINC000706207939 977310112 /nfs/dbraw/zinc/31/01/12/977310112.db2.gz PPOVXSBNAKTWBQ-VHSXEESVSA-N 0 0 211.305 2.020 10 0 BEAERN O=C([O-])CC1(C[NH+]2CCC3(CC3)CC2)CC1 ZINC000706410995 977315202 /nfs/dbraw/zinc/31/52/02/977315202.db2.gz RWTKFHKVEALFMH-UHFFFAOYSA-N 0 0 223.316 2.117 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000706732187 977359643 /nfs/dbraw/zinc/35/96/43/977359643.db2.gz KWLCLWPYAHCTMH-UWVGGRQHSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000706743097 977360332 /nfs/dbraw/zinc/36/03/32/977360332.db2.gz MEAVZWFULNJZIL-GHMZBOCLSA-N 0 0 249.310 2.104 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C ZINC000706745633 977360741 /nfs/dbraw/zinc/36/07/41/977360741.db2.gz XRPACLRSOQPPJJ-RKDXNWHRSA-N 0 0 237.274 2.364 10 0 BEAERN O=C([O-])[C@H]([NH2+]CC[C@H]1CC=CCC1)C1CC1 ZINC000706884625 977366611 /nfs/dbraw/zinc/36/66/11/977366611.db2.gz XUEXMSMMDXSPIQ-CMPLNLGQSA-N 0 0 223.316 2.186 10 0 BEAERN CCCC[C@H]([NH2+]C1CC(SC)C1)C(=O)[O-] ZINC000707000801 977372718 /nfs/dbraw/zinc/37/27/18/977372718.db2.gz BOZJHJMXJDLXRS-RTBKNWGFSA-N 0 0 231.361 2.113 10 0 BEAERN CCC[C@@](C)([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000708330723 977422580 /nfs/dbraw/zinc/42/25/80/977422580.db2.gz PTKZTEQTDNMWRO-GXFFZTMASA-N 0 0 243.347 2.035 10 0 BEAERN CCC[C@@](C)([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000708330725 977422593 /nfs/dbraw/zinc/42/25/93/977422593.db2.gz PTKZTEQTDNMWRO-ZWNOBZJWSA-N 0 0 243.347 2.035 10 0 BEAERN CC[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)C(=O)[O-] ZINC000709736474 977468992 /nfs/dbraw/zinc/46/89/92/977468992.db2.gz KRSMZNXVAJEBCI-UWVGGRQHSA-N 0 0 243.347 2.033 10 0 BEAERN CCC[C@](C)([NH2+]CC[C@H]1CCCCO1)C(=O)[O-] ZINC000711016429 977527176 /nfs/dbraw/zinc/52/71/76/977527176.db2.gz HLKZMHMUQBXSPW-YPMHNXCESA-N 0 0 243.347 2.179 10 0 BEAERN O=C([O-])[C@H]([NH2+]C[C@H]1C=CCC1)c1ccccc1 ZINC000711748590 977573115 /nfs/dbraw/zinc/57/31/15/977573115.db2.gz HQQWEQQJQGKAPD-WCQYABFASA-N 0 0 231.295 2.368 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccccc1 ZINC000711748591 977573516 /nfs/dbraw/zinc/57/35/16/977573516.db2.gz HQQWEQQJQGKAPD-YPMHNXCESA-N 0 0 231.295 2.368 10 0 BEAERN CCCC[C@@H]([NH2+]CCC(C)(C)OC)C(=O)[O-] ZINC000711867527 977575548 /nfs/dbraw/zinc/57/55/48/977575548.db2.gz VFKUPETZJYGULH-SNVBAGLBSA-N 0 0 231.336 2.035 10 0 BEAERN O=C([O-])[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CC1 ZINC000712489801 977583794 /nfs/dbraw/zinc/58/37/94/977583794.db2.gz WPISKZTULYZTMN-YFKTTZPYSA-N 0 0 223.316 2.018 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[N@H+](C)CCCF ZINC000714953063 977685686 /nfs/dbraw/zinc/68/56/86/977685686.db2.gz IPTCPEDWDDOKTO-UHFFFAOYSA-N 0 0 229.251 2.078 10 0 BEAERN CCCC1(C[NH2+]C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC000715337948 977745479 /nfs/dbraw/zinc/74/54/79/977745479.db2.gz DHKPJLBBDNCCFJ-BDAKNGLRSA-N 0 0 247.285 2.122 10 0 BEAERN CC(C)(C)[C@@H]([NH2+]CC1CC=CC1)C(=O)[O-] ZINC000717334886 977894792 /nfs/dbraw/zinc/89/47/92/977894792.db2.gz HYWHFNJZRKMOEA-JTQLQIEISA-N 0 0 211.305 2.042 10 0 BEAERN C/C(=C/C[NH2+]C1(C2CCC2)CCC1)C(=O)[O-] ZINC000717884299 977923487 /nfs/dbraw/zinc/92/34/87/977923487.db2.gz RMCFICQEIBMYHF-POHAHGRESA-N 0 0 223.316 2.330 10 0 BEAERN C[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1(C)CCC1 ZINC000720480044 978034623 /nfs/dbraw/zinc/03/46/23/978034623.db2.gz BCWTVCKTUXRKEW-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1C ZINC000721583589 978119801 /nfs/dbraw/zinc/11/98/01/978119801.db2.gz GEKXDHUMMPEVFJ-NXEZZACHSA-N 0 0 234.299 2.010 10 0 BEAERN CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693328 978164485 /nfs/dbraw/zinc/16/44/85/978164485.db2.gz NOLQVVXGGUSFPH-DDHJBXDOSA-N 0 0 227.348 2.464 10 0 BEAERN Nc1c(Cl)cc(Cl)cc1C(=O)NC1CC1 ZINC000002000320 978347323 /nfs/dbraw/zinc/34/73/23/978347323.db2.gz RCKAZFXRCGMGSA-UHFFFAOYSA-N 0 0 245.109 2.468 10 0 BEAERN CC[C@@H](C)NC(=O)c1nn(CC)cc1Cl ZINC000002765948 978670280 /nfs/dbraw/zinc/67/02/80/978670280.db2.gz PZWWDWJYQAJZRD-SSDOTTSWSA-N 0 0 229.711 2.085 10 0 BEAERN C/C=C\C(=O)N(C)CCOc1ccc(C)cc1 ZINC000211400337 984011563 /nfs/dbraw/zinc/01/15/63/984011563.db2.gz OSLRSDAYFXACRI-PLNGDYQASA-N 0 0 233.311 2.408 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CNC(=O)c1ccccc1 ZINC000133246655 984104493 /nfs/dbraw/zinc/10/44/93/984104493.db2.gz UTYLXFPIPAUOIQ-LLVKDONJSA-N 0 0 249.310 2.004 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cc(F)c(F)cc1N ZINC000050017001 984195305 /nfs/dbraw/zinc/19/53/05/984195305.db2.gz YSPXOPABSGGTTH-SSDOTTSWSA-N 0 0 240.253 2.172 10 0 BEAERN Nc1ccc(F)cc1C(=O)Nc1ccncc1 ZINC000036882885 1170918643 /nfs/dbraw/zinc/91/86/43/1170918643.db2.gz GOQQOGFMYDZVBH-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN c1nc(-c2ccccc2)cn1CCC1OCCO1 ZINC000038998806 1171105594 /nfs/dbraw/zinc/10/55/94/1171105594.db2.gz VCWARFFRLNGENW-UHFFFAOYSA-N 0 0 244.294 2.313 10 0 BEAERN Nc1ccnc(C(=O)Nc2cccc(F)c2F)c1 ZINC000050705771 1171829089 /nfs/dbraw/zinc/82/90/89/1171829089.db2.gz JLIMTFZOULVVPV-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CNc1ncccc1C(=O)Nc1cccc(C)n1 ZINC000050722310 1171835407 /nfs/dbraw/zinc/83/54/07/1171835407.db2.gz CHBCOWVRKIWBFC-UHFFFAOYSA-N 0 0 242.282 2.079 10 0 BEAERN CCc1nc2cc(F)ccc2cc1NN ZINC000685963563 538910393 /nfs/dbraw/zinc/91/03/93/538910393.db2.gz SHZGCAFKGUBCIB-UHFFFAOYSA-N 0 0 205.236 2.222 10 0 BEAERN CC(C)COCC(F)(F)CNC(C)C ZINC000685956041 538901570 /nfs/dbraw/zinc/90/15/70/538901570.db2.gz KYYGCGJUBLZMFC-UHFFFAOYSA-N 0 0 209.280 2.292 10 0 BEAERN CC(C)NCC(F)(F)COC1CCC1 ZINC000685956274 538902210 /nfs/dbraw/zinc/90/22/10/538902210.db2.gz PYUPVNNJUSKSNP-UHFFFAOYSA-N 0 0 207.264 2.189 10 0 BEAERN Cc1cc(C)n(-c2ncc3ccccc3n2)n1 ZINC000103197903 177920176 /nfs/dbraw/zinc/92/01/76/177920176.db2.gz DNHTVKNKQOZJIH-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN CCNCC(F)(F)CO[C@H](C)C1CC1 ZINC000685956906 538902375 /nfs/dbraw/zinc/90/23/75/538902375.db2.gz JGVUMFGXODYLEF-MRVPVSSYSA-N 0 0 207.264 2.046 10 0 BEAERN CNc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956468 538902656 /nfs/dbraw/zinc/90/26/56/538902656.db2.gz USFWCBNZOMABMU-UHFFFAOYSA-N 0 0 226.494 2.345 10 0 BEAERN Cc1cc(CO)nc(C(Cl)(Cl)Cl)n1 ZINC000685956661 538903510 /nfs/dbraw/zinc/90/35/10/538903510.db2.gz YIMYBPWSOKMZOA-UHFFFAOYSA-N 0 0 241.505 2.104 10 0 BEAERN CCC[C@H](C)COCC(F)(F)CNC ZINC000685957197 538904370 /nfs/dbraw/zinc/90/43/70/538904370.db2.gz UMJWALYIABTOCX-VIFPVBQESA-N 0 0 209.280 2.294 10 0 BEAERN CCC[C@H](C)OCC(F)(F)CNCC ZINC000685957729 538904826 /nfs/dbraw/zinc/90/48/26/538904826.db2.gz ZGWJNOAIBWGZIF-VIFPVBQESA-N 0 0 209.280 2.436 10 0 BEAERN CO[C@H](C)[C@]1(C)CC(=O)NC12CCCCC2 ZINC000685958576 538906106 /nfs/dbraw/zinc/90/61/06/538906106.db2.gz AGCDHQJWKHZYNX-PWSUYJOCSA-N 0 0 225.332 2.250 10 0 BEAERN CCC[C@@H](C)[C@H]1CC(=O)NC12CCOCC2 ZINC000685958683 538906272 /nfs/dbraw/zinc/90/62/72/538906272.db2.gz DOSQTJLEWKIRID-GHMZBOCLSA-N 0 0 225.332 2.108 10 0 BEAERN O=C1C[C@]2(CCCOC2)C2(CCCCC2)N1 ZINC000685958702 538906452 /nfs/dbraw/zinc/90/64/52/538906452.db2.gz DZJJWPPUXRMORT-LBPRGKRZSA-N 0 0 223.316 2.006 10 0 BEAERN C[C@]1(C(=O)[O-])CC2(C[C@H]1[NH3+])CCCCC2 ZINC000685958690 538906460 /nfs/dbraw/zinc/90/64/60/538906460.db2.gz DPUDEQITJDPPHD-KOLCDFICSA-N 0 0 211.305 2.149 10 0 BEAERN O=C1C[C@@H](c2cscn2)C2(CCCCC2)N1 ZINC000685958855 538906487 /nfs/dbraw/zinc/90/64/87/538906487.db2.gz HKVHEFYRFSDDLH-VIFPVBQESA-N 0 0 236.340 2.450 10 0 BEAERN CNc1nc([C@H]2SCCS[C@H]2C)ns1 ZINC000228193860 398136537 /nfs/dbraw/zinc/13/65/37/398136537.db2.gz LGTHDQULTDTLCZ-WDSKDSINSA-N 0 0 247.414 2.489 10 0 BEAERN CCC(CC)[C@@H]1CC(=O)NC12CCOCC2 ZINC000685959549 538906837 /nfs/dbraw/zinc/90/68/37/538906837.db2.gz PKONNCLXKHIJLJ-NSHDSACASA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1C[C@@H]1[C@H]1CC(=O)NC12CCCCC2 ZINC000685959583 538906880 /nfs/dbraw/zinc/90/68/80/538906880.db2.gz PUWRCRYOZVGJGZ-OUAUKWLOSA-N 0 0 207.317 2.481 10 0 BEAERN C[C@H]1C(=O)NC2(CCCCC2)C12CSC2 ZINC000685959778 538907305 /nfs/dbraw/zinc/90/73/05/538907305.db2.gz RXWIAXFYWCKAOD-VIFPVBQESA-N 0 0 225.357 2.188 10 0 BEAERN CO[C@@H]1CC[C@@]12CC(=O)NC21CCCCC1 ZINC000685959995 538907326 /nfs/dbraw/zinc/90/73/26/538907326.db2.gz XDAHLWMQVLKYPA-ZYHUDNBSSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000685961805 538908666 /nfs/dbraw/zinc/90/86/66/538908666.db2.gz OLLWYUZVZVRNGN-MNOVXSKESA-N 0 0 239.315 2.435 10 0 BEAERN CC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685962887 538909654 /nfs/dbraw/zinc/90/96/54/538909654.db2.gz YPQNRSNEVYNHOE-ONGXEEELSA-N 0 0 241.331 2.469 10 0 BEAERN Cc1cccc2c1N[C@H](C(F)(F)F)[C@H](O)C2 ZINC000685962917 538909850 /nfs/dbraw/zinc/90/98/50/538909850.db2.gz ACZBLRZTVAVUSH-SCZZXKLOSA-N 0 0 231.217 2.255 10 0 BEAERN CC[C@H]1Nc2ccc(OC)cc2C[C@@]1(C)O ZINC000685963290 538909879 /nfs/dbraw/zinc/90/98/79/538909879.db2.gz LIDPGLXEHGJWHE-CHWSQXEVSA-N 0 0 221.300 2.193 10 0 BEAERN CCc1cccc2c1N[C@@H](C(F)F)[C@@H](O)C2 ZINC000685963221 538910015 /nfs/dbraw/zinc/91/00/15/538910015.db2.gz JRRYATKRYIIKBP-GXSJLCMTSA-N 0 0 227.254 2.212 10 0 BEAERN CC(C)(C)n1nc2c(c1N)CC(F)(F)CC2 ZINC000685952377 538896405 /nfs/dbraw/zinc/89/64/05/538896405.db2.gz IOIPKVXAWXTBKR-UHFFFAOYSA-N 0 0 229.274 2.344 10 0 BEAERN CCCCn1nc2c(c1N)CC(F)(F)CC2 ZINC000685952451 538896462 /nfs/dbraw/zinc/89/64/62/538896462.db2.gz LOELGCRCBWPBSC-UHFFFAOYSA-N 0 0 229.274 2.389 10 0 BEAERN C[C@@H]1CCc2nn(C(C)(C)C)c(N)c2C1 ZINC000685953221 538897441 /nfs/dbraw/zinc/89/74/41/538897441.db2.gz UWAULWRKIFWVNG-MRVPVSSYSA-N 0 0 207.321 2.345 10 0 BEAERN [NH3+][C@@H]1c2ccccc2[C@@H]2CCCC[C@H]2[C@@H]1O ZINC000309057651 349439344 /nfs/dbraw/zinc/43/93/44/349439344.db2.gz FJULULWKKOSKMQ-ASEORRQLSA-N 0 0 217.312 2.335 10 0 BEAERN CCC[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000082993009 349442944 /nfs/dbraw/zinc/44/29/44/349442944.db2.gz DPVRAJKSXMIPPB-SRVKXCTJSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000189643073 177940719 /nfs/dbraw/zinc/94/07/19/177940719.db2.gz GXKRWTRLAGYGCR-NWDGAFQWSA-N 0 0 248.326 2.452 10 0 BEAERN Cc1nc([C@H]2CCCN2c2cc(C)ccn2)no1 ZINC000408101055 136210585 /nfs/dbraw/zinc/21/05/85/136210585.db2.gz ZFHQFBLOVQKTOC-LLVKDONJSA-N 0 0 244.298 2.423 10 0 BEAERN CC[C@H](C)n1cc2c(n1)[C@@H](C)[N-]C(=S)O2 ZINC000685965942 538911196 /nfs/dbraw/zinc/91/11/96/538911196.db2.gz ZWVALEULAZFPCY-NKWVEPMBSA-N 0 0 225.317 2.182 10 0 BEAERN Nc1cn(Cc2ccc(F)cc2Cl)cn1 ZINC000685964269 538911202 /nfs/dbraw/zinc/91/12/02/538911202.db2.gz BBEKCOMNLZQPBB-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN C=C(OCC)c1nnc(Br)s1 ZINC000685965032 538911464 /nfs/dbraw/zinc/91/14/64/538911464.db2.gz LRTAYPPMUUKHPA-UHFFFAOYSA-N 0 0 235.106 2.308 10 0 BEAERN CC[C@H](C)n1cc2c(n1)[C@@H](C)NC(=O)O2 ZINC000685965597 538912028 /nfs/dbraw/zinc/91/20/28/538912028.db2.gz KZNQUVOLXMVHDI-NKWVEPMBSA-N 0 0 209.249 2.017 10 0 BEAERN C[C@@H]1C[C@@H]1Cn1cc2ccc(N)cc2n1 ZINC000685965481 538912038 /nfs/dbraw/zinc/91/20/38/538912038.db2.gz GQWXZIMMONMQBA-PSASIEDQSA-N 0 0 201.273 2.275 10 0 BEAERN Nc1ccc2cn([C@H]3CCSC3)nc2c1 ZINC000685965899 538912567 /nfs/dbraw/zinc/91/25/67/538912567.db2.gz YFHQNVKHOUGYBD-JTQLQIEISA-N 0 0 219.313 2.297 10 0 BEAERN Cc1ccncc1[C@@]1(O)CCS[C@H]1C ZINC000235407699 343978243 /nfs/dbraw/zinc/97/82/43/343978243.db2.gz RGTJCWGTARLZNG-GXSJLCMTSA-N 0 0 209.314 2.103 10 0 BEAERN CCOC(=O)/C=C/c1cccc(C)c1O ZINC000034131003 187321835 /nfs/dbraw/zinc/32/18/35/187321835.db2.gz QRSSPZFPSXXFTO-BQYQJAHWSA-N 0 0 206.241 2.277 10 0 BEAERN CCC(CC)(c1nccs1)N1CCOCC1 ZINC000032602588 168332066 /nfs/dbraw/zinc/33/20/66/168332066.db2.gz MYAKSONMQKUXKA-UHFFFAOYSA-N 0 0 240.372 2.491 10 0 BEAERN CCC(CC)C(=O)N1CCCC[C@@H](CO)C1 ZINC000378210872 168333889 /nfs/dbraw/zinc/33/38/89/168333889.db2.gz ZMZATOBYOSVUMC-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN Cc1cc(CNC(=O)N[C@H]2C[C@H]2C)ccc1F ZINC000170809000 178014501 /nfs/dbraw/zinc/01/45/01/178014501.db2.gz KFOKKUOIAPNHRY-SKDRFNHKSA-N 0 0 236.290 2.342 10 0 BEAERN O=C(CCc1ccccc1O)NCc1ccoc1 ZINC000045835887 398182972 /nfs/dbraw/zinc/18/29/72/398182972.db2.gz VZVJKGUFOKNEAC-UHFFFAOYSA-N 0 0 245.278 2.234 10 0 BEAERN COC(=O)[C@H](CCCc1ccccc1)[C@H](C)O ZINC000071973727 398171552 /nfs/dbraw/zinc/17/15/52/398171552.db2.gz GJUACORXYYKVOH-WCQYABFASA-N 0 0 236.311 2.179 10 0 BEAERN CC[S@](=O)Nc1cc(N)ccc1Cl ZINC000307505791 398173522 /nfs/dbraw/zinc/17/35/22/398173522.db2.gz LHPIBNJWWUTFRF-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN CC(C)(CC(=O)N[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000645086472 398174893 /nfs/dbraw/zinc/17/48/93/398174893.db2.gz KVTVDIANORNWJY-VXGBXAGGSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(CNc2cc(N)cc(F)c2)on1 ZINC000044988378 178042141 /nfs/dbraw/zinc/04/21/41/178042141.db2.gz SWVHYVQDBUQHOU-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2ccc(N)cc2F)no1 ZINC000044690695 178043125 /nfs/dbraw/zinc/04/31/25/178043125.db2.gz REXLOQPTTNHUMT-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2cccc(N)c2)no1 ZINC000044690700 178043685 /nfs/dbraw/zinc/04/36/85/178043685.db2.gz VMWJKBWYMVFTHD-UHFFFAOYSA-N 0 0 203.245 2.177 10 0 BEAERN Cc1cc(CNc2cccc(F)c2N)no1 ZINC000044690960 178043761 /nfs/dbraw/zinc/04/37/61/178043761.db2.gz AHXZKQWFEAARSN-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2nsnc2Cl)on1 ZINC000045014448 178045679 /nfs/dbraw/zinc/04/56/79/178045679.db2.gz XCSUFMCXRMFHKY-UHFFFAOYSA-N 0 0 230.680 2.100 10 0 BEAERN Cc1cc(CO)cc(C)c1OC[C@@H]1CCOC1 ZINC000049689088 178045987 /nfs/dbraw/zinc/04/59/87/178045987.db2.gz DRTQUPDKESFOJH-GFCCVEGCSA-N 0 0 236.311 2.211 10 0 BEAERN Cc1cc(CO)ccc1N(C)C1CCOCC1 ZINC000050560875 178046180 /nfs/dbraw/zinc/04/61/80/178046180.db2.gz JCAZKLUIWBHVGQ-UHFFFAOYSA-N 0 0 235.327 2.103 10 0 BEAERN Cc1cc(Cl)ccc1-n1ccc(N)n1 ZINC000077301079 178064763 /nfs/dbraw/zinc/06/47/63/178064763.db2.gz NJHZJVBQYOQSJP-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CC(=O)N1CC[C@H](c2cn[nH]c2)c2ccccc21 ZINC000616588967 349514459 /nfs/dbraw/zinc/51/44/59/349514459.db2.gz OTOJXYGGLWUWCY-GFCCVEGCSA-N 0 0 241.294 2.298 10 0 BEAERN CCC(CC)C(=O)NCc1cccc(OC)n1 ZINC000128261798 168338086 /nfs/dbraw/zinc/33/80/86/168338086.db2.gz UKWAUVRTGMXXMV-UHFFFAOYSA-N 0 0 236.315 2.143 10 0 BEAERN Cc1cc(F)cc2c3[nH]nc(N)c3cnc12 ZINC000072237078 178081282 /nfs/dbraw/zinc/08/12/82/178081282.db2.gz DCHFCUGTAHLJDM-UHFFFAOYSA-N 0 0 216.219 2.141 10 0 BEAERN Cc1cc(F)ccc1CN1CC(O)(C2CC2)C1 ZINC000128232019 178086007 /nfs/dbraw/zinc/08/60/07/178086007.db2.gz VKOLTOGBRVIBJA-UHFFFAOYSA-N 0 0 235.302 2.091 10 0 BEAERN Cc1cc(F)ccc1N[C@H]1CCC[C@H]1O ZINC000037689945 178091314 /nfs/dbraw/zinc/09/13/14/178091314.db2.gz IAHNCZJUMBSEGT-NWDGAFQWSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1cc(N(C)C2CCOCC2)ccc1N ZINC000036320442 178096374 /nfs/dbraw/zinc/09/63/74/178096374.db2.gz XXHGJUXTABQLSP-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N(C)CC2CC(O)C2)nc(C(C)C)n1 ZINC000091489837 178097591 /nfs/dbraw/zinc/09/75/91/178097591.db2.gz JLYXMYCJYUEMMW-UHFFFAOYSA-N 0 0 249.358 2.116 10 0 BEAERN Cc1cc(N)ccc1C(=O)NC1CCCC1 ZINC000044748018 178105317 /nfs/dbraw/zinc/10/53/17/178105317.db2.gz XCZIEWADHIHLST-UHFFFAOYSA-N 0 0 218.300 2.250 10 0 BEAERN Cc1cc(N)ccc1NC(=O)NC(C)C ZINC000020209050 178105513 /nfs/dbraw/zinc/10/55/13/178105513.db2.gz PYSAUKIHQZKYLX-UHFFFAOYSA-N 0 0 207.277 2.107 10 0 BEAERN Cc1cc(N)cnc1-n1ccc(C(F)(F)F)n1 ZINC000052813597 178108193 /nfs/dbraw/zinc/10/81/93/178108193.db2.gz UNEARONVPJAUHL-UHFFFAOYSA-N 0 0 242.204 2.177 10 0 BEAERN Cc1cc(N)nc(Cc2ccccc2F)n1 ZINC000050845223 178109126 /nfs/dbraw/zinc/10/91/26/178109126.db2.gz ZXRWHJDARYHPGB-UHFFFAOYSA-N 0 0 217.247 2.097 10 0 BEAERN Cc1cc(N)nc(CCc2ccccc2)n1 ZINC000050845203 178109243 /nfs/dbraw/zinc/10/92/43/178109243.db2.gz SSJLGLCAXNNQLE-UHFFFAOYSA-N 0 0 213.284 2.152 10 0 BEAERN Cc1cc(N)nc(COc2ccccc2C)n1 ZINC000071534087 178110136 /nfs/dbraw/zinc/11/01/36/178110136.db2.gz GUHLHGILNFUXLM-UHFFFAOYSA-N 0 0 229.283 2.255 10 0 BEAERN OC[C@@H]1CC[C@H](c2ccccc2F)CO1 ZINC000536958547 398199038 /nfs/dbraw/zinc/19/90/38/398199038.db2.gz QHCCPBVXCOUVTP-UWVGGRQHSA-N 0 0 210.248 2.081 10 0 BEAERN O[C@H](c1sccc1F)C1=CCCO1 ZINC000306485823 398203821 /nfs/dbraw/zinc/20/38/21/398203821.db2.gz RTGLNRGLEJVKGM-QMMMGPOBSA-N 0 0 200.234 2.225 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000380355673 343982856 /nfs/dbraw/zinc/98/28/56/343982856.db2.gz WSRMPICOJQOLKA-NKWVEPMBSA-N 0 0 228.273 2.246 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1c1c[nH]cn1 ZINC000616622120 398206810 /nfs/dbraw/zinc/20/68/10/398206810.db2.gz UMWLUJYDZNSVIN-NSHDSACASA-N 0 0 237.303 2.483 10 0 BEAERN NC1(C(=O)c2c(F)cccc2Cl)CC1 ZINC000306825644 398213791 /nfs/dbraw/zinc/21/37/91/398213791.db2.gz XOSHZEBJTMDPQI-UHFFFAOYSA-N 0 0 213.639 2.153 10 0 BEAERN Cc1nc2c(ncnc2Br)s1 ZINC000306825603 398214121 /nfs/dbraw/zinc/21/41/21/398214121.db2.gz XIWKPTLAAABAOV-UHFFFAOYSA-N 0 0 230.090 2.157 10 0 BEAERN COc1ccc(NC(=O)C2CC(C)C2)cc1N ZINC000576339008 365569330 /nfs/dbraw/zinc/56/93/30/365569330.db2.gz YAITVBDGLLEOAC-UHFFFAOYSA-N 0 0 234.299 2.262 10 0 BEAERN Cc1cc(NC(=O)OCC(C)C)ncc1N ZINC000041040800 178143031 /nfs/dbraw/zinc/14/30/31/178143031.db2.gz UKJBDURDZFGAPE-UHFFFAOYSA-N 0 0 223.276 2.177 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)sn1 ZINC000190323984 178145700 /nfs/dbraw/zinc/14/57/00/178145700.db2.gz JXBNWGDKTZOOJZ-DTWKUNHWSA-N 0 0 240.328 2.205 10 0 BEAERN Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)n(C)n1 ZINC000049376911 178148589 /nfs/dbraw/zinc/14/85/89/178148589.db2.gz DMZBZSWPTRQSST-ZJUUUORDSA-N 0 0 245.282 2.064 10 0 BEAERN Cc1cc(NC(=O)c2c(C)cccc2N)on1 ZINC000019405940 178148643 /nfs/dbraw/zinc/14/86/43/178148643.db2.gz JZYFAOHKEAAERO-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2cc(N)ccn2)ccc1F ZINC000061123169 178149727 /nfs/dbraw/zinc/14/97/27/178149727.db2.gz WOTILAIDWDKCJJ-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1cc(NC(=O)c2ccc(C)c(N)c2)no1 ZINC000021964516 178149756 /nfs/dbraw/zinc/14/97/56/178149756.db2.gz XZLGLJHNKNVDQE-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2cccc(C)c2O)on1 ZINC000019837831 178149769 /nfs/dbraw/zinc/14/97/69/178149769.db2.gz QLWLIZYUJKVNKM-UHFFFAOYSA-N 0 0 232.239 2.249 10 0 BEAERN Cc1cc(NCCc2cscn2)nnc1C ZINC000302818384 178162766 /nfs/dbraw/zinc/16/27/66/178162766.db2.gz NBHCJKVDLODKJK-UHFFFAOYSA-N 0 0 234.328 2.205 10 0 BEAERN Cc1cc(NCC[C@@H]2CCCO2)nc(Cl)n1 ZINC000052814866 178163632 /nfs/dbraw/zinc/16/36/32/178163632.db2.gz NBYJSMYLYAAPEW-VIFPVBQESA-N 0 0 241.722 2.419 10 0 BEAERN Cc1cc(NCC[C@H]2CCCO2)nnc1C ZINC000301164869 178163740 /nfs/dbraw/zinc/16/37/40/178163740.db2.gz DEBNUOVTCQCXRJ-LLVKDONJSA-N 0 0 221.304 2.074 10 0 BEAERN COc1ccc(CN2CCC=CCC2=O)cc1 ZINC000253400860 187330567 /nfs/dbraw/zinc/33/05/67/187330567.db2.gz MBNSYEUFSNHHPQ-UHFFFAOYSA-N 0 0 231.295 2.374 10 0 BEAERN Cc1cc(NC[C@H]2CCOC2)ccc1N ZINC000061146704 178170471 /nfs/dbraw/zinc/17/04/71/178170471.db2.gz BHYSXODQZDFCMA-SNVBAGLBSA-N 0 0 206.289 2.026 10 0 BEAERN CC(=O)Oc1cn(C(C)=O)c2cc(F)ccc12 ZINC000253496068 187330737 /nfs/dbraw/zinc/33/07/37/187330737.db2.gz AQZQZARUXJLROY-UHFFFAOYSA-N 0 0 235.214 2.366 10 0 BEAERN On1c2cc(F)ccc2nc1-c1ccccn1 ZINC000253570438 187330886 /nfs/dbraw/zinc/33/08/86/187330886.db2.gz NOYQDJVCLXMKEJ-UHFFFAOYSA-N 0 0 229.214 2.475 10 0 BEAERN CC(=O)N1CCCOC[C@H]1c1ccccc1F ZINC000616648381 398221864 /nfs/dbraw/zinc/22/18/64/398221864.db2.gz KYMFQEBVQHSCEM-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN Cc1csc(CNc2cc(C)nc(C)n2)n1 ZINC000037982858 178177035 /nfs/dbraw/zinc/17/70/35/178177035.db2.gz ABLJRKZQEBXPSX-UHFFFAOYSA-N 0 0 234.328 2.470 10 0 BEAERN CC(C)=CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160634427 136222148 /nfs/dbraw/zinc/22/21/48/136222148.db2.gz LCYSTJPSDCSDAN-JSGCOSHPSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1cc(N[C@H](C)[C@H]2CCCO2)nnc1C ZINC000110101586 178186476 /nfs/dbraw/zinc/18/64/76/178186476.db2.gz GLWPPILQVGZIHR-GHMZBOCLSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(O)c(N)c(C)c1Br ZINC000095829916 178196664 /nfs/dbraw/zinc/19/66/64/178196664.db2.gz WWPNJSASIWYDIM-UHFFFAOYSA-N 0 0 216.078 2.354 10 0 BEAERN Cc1cc(OC2CC2)ccc1C(=O)N(C)C ZINC000095721038 178207635 /nfs/dbraw/zinc/20/76/35/178207635.db2.gz WZKIMSOGBOPCFI-UHFFFAOYSA-N 0 0 219.284 2.238 10 0 BEAERN Cc1cc(OCCC(N)=O)cc(C)c1Cl ZINC000033433841 178210110 /nfs/dbraw/zinc/21/01/10/178210110.db2.gz KEBLBEPNOCHXPX-UHFFFAOYSA-N 0 0 227.691 2.211 10 0 BEAERN Cc1cc(O[C@@H](C)CO)ccc1Cl ZINC000041210503 178213507 /nfs/dbraw/zinc/21/35/07/178213507.db2.gz ZRFAXBNBFYSZKR-QMMMGPOBSA-N 0 0 200.665 2.408 10 0 BEAERN Cc1cc(OCn2cc(N)cn2)ccc1Cl ZINC000002535022 178213536 /nfs/dbraw/zinc/21/35/36/178213536.db2.gz OERVDUMZVOOITH-UHFFFAOYSA-N 0 0 237.690 2.464 10 0 BEAERN Cc1cc(Oc2ccccc2F)nc(N)n1 ZINC000000191203 178215468 /nfs/dbraw/zinc/21/54/68/178215468.db2.gz VBMINTSOTHUTGV-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1cc(Sc2ncc(N)cc2C)n(C)n1 ZINC000052813841 178219467 /nfs/dbraw/zinc/21/94/67/178219467.db2.gz NKUKIMJWQDYTQE-UHFFFAOYSA-N 0 0 234.328 2.165 10 0 BEAERN Cc1cc([C@@H](C)n2nccc2N)c(C)o1 ZINC000020439569 178234715 /nfs/dbraw/zinc/23/47/15/178234715.db2.gz CCTBQTWFRJZGDD-MRVPVSSYSA-N 0 0 205.261 2.284 10 0 BEAERN Cc1cc([C@@H](N)C(F)(F)F)ccc1O ZINC000072194640 178235265 /nfs/dbraw/zinc/23/52/65/178235265.db2.gz FHTLIJHRERPKGX-MRVPVSSYSA-N 0 0 205.179 2.263 10 0 BEAERN C[C@@H](Cc1cccs1)N1CCC(=O)CC1 ZINC000070851793 361799332 /nfs/dbraw/zinc/79/93/32/361799332.db2.gz BHRUXOJSXXBXGD-JTQLQIEISA-N 0 0 223.341 2.344 10 0 BEAERN Cc1ccc(-c2nc(N)ns2)cc1C ZINC000070839613 361781836 /nfs/dbraw/zinc/78/18/36/361781836.db2.gz JUCZPVRFXLVNJZ-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cc([C@H](C(=O)[O-])[NH+](C)C)c(C)s1 ZINC000049687993 178244174 /nfs/dbraw/zinc/24/41/74/178244174.db2.gz QIRMWAMBRYRMAE-SECBINFHSA-N 0 0 213.302 2.052 10 0 BEAERN Cc1cc2c(ccnc2N[C@@H](C)C(=O)N(C)C)o1 ZINC000302741092 178281269 /nfs/dbraw/zinc/28/12/69/178281269.db2.gz YYGLBZIZJBEIDA-VIFPVBQESA-N 0 0 247.298 2.025 10 0 BEAERN Cc1cc2c(cc1-c1ccncc1)C(=O)C(=O)N2 ZINC000013733679 178284230 /nfs/dbraw/zinc/28/42/30/178284230.db2.gz PQUQFGBXLRLVNJ-UHFFFAOYSA-N 0 0 238.246 2.192 10 0 BEAERN Cc1cc2c(cc1Cl)O[C@H](C)C(=O)N2 ZINC000062525401 178289419 /nfs/dbraw/zinc/28/94/19/178289419.db2.gz AQMBAGVMHCADRH-ZCFIWIBFSA-N 0 0 211.648 2.368 10 0 BEAERN Cc1cc2c(cc1NC(=O)N[C@H]1C[C@@H]1C)OCO2 ZINC000183777957 178290095 /nfs/dbraw/zinc/29/00/95/178290095.db2.gz BIAAXZGTPRICQZ-CBAPKCEASA-N 0 0 248.282 2.254 10 0 BEAERN Cc1cc2ccccc2n1CC(=O)N1CCCO1 ZINC000125438960 178297716 /nfs/dbraw/zinc/29/77/16/178297716.db2.gz BYBXTCXIPFEFNJ-UHFFFAOYSA-N 0 0 244.294 2.114 10 0 BEAERN Cc1cc2nc(CN)oc2cc1Br ZINC000062533300 178301591 /nfs/dbraw/zinc/30/15/91/178301591.db2.gz QSHGPUBNWHIQRU-UHFFFAOYSA-N 0 0 241.088 2.357 10 0 BEAERN Cc1cc2c3c(c1)CCC(=O)N3C[C@@H]2C ZINC000039105053 178293954 /nfs/dbraw/zinc/29/39/54/178293954.db2.gz SGAFALLWLIRHFP-VIFPVBQESA-N 0 0 201.269 2.391 10 0 BEAERN Cc1cc2nnc(-c3ccncc3)nc2c(C)n1 ZINC000026499531 178305649 /nfs/dbraw/zinc/30/56/49/178305649.db2.gz ZKIOMLWEPUHBCQ-UHFFFAOYSA-N 0 0 237.266 2.099 10 0 BEAERN O[C@@H]1CCCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000397980259 488177005 /nfs/dbraw/zinc/17/70/05/488177005.db2.gz DZHZPZCHOCVEOO-OPRDCNLKSA-N 0 0 219.275 2.067 10 0 BEAERN Cc1cc[n+]([O-])cc1Oc1ccccc1 ZINC000027899930 178308763 /nfs/dbraw/zinc/30/87/63/178308763.db2.gz VUIZTZHUFPXIGK-UHFFFAOYSA-N 0 0 201.225 2.421 10 0 BEAERN Cc1cc[nH]c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000280526030 178311029 /nfs/dbraw/zinc/31/10/29/178311029.db2.gz GGMQRRUMECPUIT-RYUDHWBXSA-N 0 0 248.326 2.107 10 0 BEAERN Cc1ccc(-c2cc[nH]c(=NN)n2)cc1C ZINC000073666322 178327903 /nfs/dbraw/zinc/32/79/03/178327903.db2.gz GAYFGQAVRLYCQF-UHFFFAOYSA-N 0 0 214.272 2.046 10 0 BEAERN Cc1ccc(C2N=NC(=S)O2)cc1F ZINC000026513874 178340721 /nfs/dbraw/zinc/34/07/21/178340721.db2.gz DSFOFOAQOSKVAE-UHFFFAOYSA-N 0 0 210.233 2.473 10 0 BEAERN Cc1ccc(-c2nnc([C@H](C)N)o2)c(C)c1 ZINC000050284095 178341549 /nfs/dbraw/zinc/34/15/49/178341549.db2.gz FXEKKYIWSCMBJK-VIFPVBQESA-N 0 0 217.272 2.373 10 0 BEAERN Cc1ccc(-c2noc(-c3cnoc3N)n2)s1 ZINC000041166745 178342041 /nfs/dbraw/zinc/34/20/41/178342041.db2.gz ZSPCQBGTQNNUOP-UHFFFAOYSA-N 0 0 248.267 2.344 10 0 BEAERN Cc1ccc(-c2noc(C[C@@H](O)C3CC3)n2)cc1 ZINC000104060139 178344188 /nfs/dbraw/zinc/34/41/88/178344188.db2.gz CASABZGIQXCZLZ-GFCCVEGCSA-N 0 0 244.294 2.358 10 0 BEAERN O=CNCc1c(Cl)cccc1Cl ZINC000150167123 349540052 /nfs/dbraw/zinc/54/00/52/349540052.db2.gz GYBPLVSHSLAPJY-UHFFFAOYSA-N 0 0 204.056 2.239 10 0 BEAERN Cc1ccc(-n2nnc3cc(N)ccc32)cc1 ZINC000026509760 178351388 /nfs/dbraw/zinc/35/13/88/178351388.db2.gz IFIDWYJIXMANHK-UHFFFAOYSA-N 0 0 224.267 2.311 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000058965324 178377953 /nfs/dbraw/zinc/37/79/53/178377953.db2.gz VJVHZXJUYWAWHS-ZDUSSCGKSA-N 0 0 233.311 2.246 10 0 BEAERN CCCCCCn1nc(N)nc1Br ZINC000231802392 538952682 /nfs/dbraw/zinc/95/26/82/538952682.db2.gz AHHAXAFYNXXFDR-UHFFFAOYSA-N 0 0 247.140 2.203 10 0 BEAERN Cc1ccc(C(=O)C(=O)N[C@H](C)C(C)C)cc1 ZINC000041791388 178371921 /nfs/dbraw/zinc/37/19/21/178371921.db2.gz HIOBKGLAFKGGSI-LLVKDONJSA-N 0 0 233.311 2.338 10 0 BEAERN CC[N@@H+]1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616612677 349575945 /nfs/dbraw/zinc/57/59/45/349575945.db2.gz HHJHSEMCDNGJIU-SNVBAGLBSA-N 0 0 219.284 2.194 10 0 BEAERN CCC[C@@H](C)Cn1nc(N)nc1Br ZINC000231802492 538953107 /nfs/dbraw/zinc/95/31/07/538953107.db2.gz XTIRBBJZTZBDJL-ZCFIWIBFSA-N 0 0 247.140 2.059 10 0 BEAERN Cc1ccc(C(=O)N2CCS[C@@H](C)C2)o1 ZINC000171579018 178393696 /nfs/dbraw/zinc/39/36/96/178393696.db2.gz JMXVIBAHPFIBON-VIFPVBQESA-N 0 0 225.313 2.166 10 0 BEAERN CN(c1ccc(C=O)o1)C1CCSCC1 ZINC000403812761 538953838 /nfs/dbraw/zinc/95/38/38/538953838.db2.gz DPPFGVGEQKDVHR-UHFFFAOYSA-N 0 0 225.313 2.424 10 0 BEAERN Cc1ccc(C(=O)N2CC[C@H](CCO)C2)c(C)c1 ZINC000122988240 178397240 /nfs/dbraw/zinc/39/72/40/178397240.db2.gz JQCRNUNBALFMTG-CYBMUJFWSA-N 0 0 247.338 2.148 10 0 BEAERN CCOC(=O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000259697663 349600321 /nfs/dbraw/zinc/60/03/21/349600321.db2.gz VUBHAWCGXUBBOC-QMMMGPOBSA-N 0 0 223.228 2.261 10 0 BEAERN CCOC(=O)c1cc(C(C)(C)C)nc(C)n1 ZINC000259601401 349600465 /nfs/dbraw/zinc/60/04/65/349600465.db2.gz GQFHSWGBEMZFSV-UHFFFAOYSA-N 0 0 222.288 2.259 10 0 BEAERN COC(=O)/C=C/c1c(F)ccc(F)c1F ZINC000149379309 346842603 /nfs/dbraw/zinc/84/26/03/346842603.db2.gz SLXSVQIQMRZGGK-GORDUTHDSA-N 0 0 216.158 2.290 10 0 BEAERN C[C@H]1CCC[C@H](n2c(N)n[nH]c2=S)C1 ZINC000070881501 361833969 /nfs/dbraw/zinc/83/39/69/361833969.db2.gz FHWDJZWVPZWZAU-BQBZGAKWSA-N 0 0 212.322 2.274 10 0 BEAERN CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000405616003 538960323 /nfs/dbraw/zinc/96/03/23/538960323.db2.gz VTDYYONDTGYADX-WCBMZHEXSA-N 0 0 227.304 2.221 10 0 BEAERN Cc1cocc1C(=O)CNC(=O)OC(C)(C)C ZINC000405607492 538960420 /nfs/dbraw/zinc/96/04/20/538960420.db2.gz JMEPGHLJDUYLKS-UHFFFAOYSA-N 0 0 239.271 2.295 10 0 BEAERN Cc1sc2[nH]c(N3CCCC3)nc(=O)c2c1C ZINC000000388009 342685938 /nfs/dbraw/zinc/68/59/38/342685938.db2.gz USFKRLPKDQFRNH-UHFFFAOYSA-N 0 0 249.339 2.202 10 0 BEAERN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000405691050 538960966 /nfs/dbraw/zinc/96/09/66/538960966.db2.gz DPNBWDMQNMBHQX-QMMMGPOBSA-N 0 0 227.304 2.126 10 0 BEAERN Nc1cnc2c3c1ccnc3-c1ccccc1C2=O ZINC000000008114 342669675 /nfs/dbraw/zinc/66/96/75/342669675.db2.gz XAIUPRJECZQPID-UHFFFAOYSA-N 0 0 247.257 2.423 10 0 BEAERN CC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406065308 538962793 /nfs/dbraw/zinc/96/27/93/538962793.db2.gz MTCNIFQLXQPXMR-JTQLQIEISA-N 0 0 227.304 2.269 10 0 BEAERN CC(=O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000406038328 538963002 /nfs/dbraw/zinc/96/30/02/538963002.db2.gz NEYNLSHYGFTVOR-UHFFFAOYSA-N 0 0 227.304 2.270 10 0 BEAERN COC(=O)c1cc(Cl)c(Cl)cc1O ZINC000082721596 398278822 /nfs/dbraw/zinc/27/88/22/398278822.db2.gz DIMLRARSGJZFQN-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN CC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000405769791 538961281 /nfs/dbraw/zinc/96/12/81/538961281.db2.gz QPQIQSLMMHJWGA-MRVPVSSYSA-N 0 0 227.304 2.363 10 0 BEAERN O=C(N[C@H]1CCC(F)(F)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309606585 342745572 /nfs/dbraw/zinc/74/55/72/342745572.db2.gz LJDJYEMMQHJPDS-JXUBOQSCSA-N 0 0 229.270 2.337 10 0 BEAERN CCCC[C@H]1COC[C@H](C)[C@@H]1OC(C)=O ZINC000002559085 342724121 /nfs/dbraw/zinc/72/41/21/342724121.db2.gz XWNKVSFNBVIKJB-DLOVCJGASA-N 0 0 214.305 2.391 10 0 BEAERN CCC(CC)NC(=O)c1cccc(C)c1N ZINC000021958635 168385514 /nfs/dbraw/zinc/38/55/14/168385514.db2.gz VNCUGMLQLBBGFW-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN Clc1nc2cnccc2nc1NC1CC1 ZINC000144384599 342732002 /nfs/dbraw/zinc/73/20/02/342732002.db2.gz PKTIDEADSCSVQK-UHFFFAOYSA-N 0 0 220.663 2.253 10 0 BEAERN C[C@H](Nc1ncccc1N)c1ccncc1 ZINC000035693231 342755717 /nfs/dbraw/zinc/75/57/17/342755717.db2.gz TWCYUEGNTARFIB-VIFPVBQESA-N 0 0 214.272 2.232 10 0 BEAERN C[C@H](Nc1ncccc1N)c1ccccn1 ZINC000035694704 342756252 /nfs/dbraw/zinc/75/62/52/342756252.db2.gz LMVOMADMFFGFBR-VIFPVBQESA-N 0 0 214.272 2.232 10 0 BEAERN COC(=O)c1ccc(N2CCCCCC2=O)cc1 ZINC000145181884 342760271 /nfs/dbraw/zinc/76/02/71/342760271.db2.gz KMWMMGBKCWWECP-UHFFFAOYSA-N 0 0 247.294 2.380 10 0 BEAERN N#Cc1cc(-c2cncc(Cl)c2)ncn1 ZINC000118371507 342778175 /nfs/dbraw/zinc/77/81/75/342778175.db2.gz IPDXKOPEWDJUFS-UHFFFAOYSA-N 0 0 216.631 2.064 10 0 BEAERN Nc1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000144637263 342765546 /nfs/dbraw/zinc/76/55/46/342765546.db2.gz FWIXWQXCEXDFAU-UHFFFAOYSA-N 0 0 207.016 2.484 10 0 BEAERN CCOC(=O)[C@H](O)c1ccc(-n2cccc2)cc1 ZINC000146505387 342770679 /nfs/dbraw/zinc/77/06/79/342770679.db2.gz ZUVYRRBBSOUNGX-CYBMUJFWSA-N 0 0 245.278 2.074 10 0 BEAERN OCCC#Cc1ccc(Br)cc1 ZINC000146688199 342770933 /nfs/dbraw/zinc/77/09/33/342770933.db2.gz LFAYOHVYLGSCIR-UHFFFAOYSA-N 0 0 225.085 2.183 10 0 BEAERN COc1ccc(C(=O)c2nccs2)c(OC)c1 ZINC000147078754 342773736 /nfs/dbraw/zinc/77/37/36/342773736.db2.gz XUZDJFLLYLULJR-UHFFFAOYSA-N 0 0 249.291 2.391 10 0 BEAERN Cc1cc(O)ccc1CCCCn1ccnn1 ZINC000146938885 342773739 /nfs/dbraw/zinc/77/37/39/342773739.db2.gz CNVXYPDWEIPGTP-UHFFFAOYSA-N 0 0 231.299 2.315 10 0 BEAERN COc1c2occc2c([O-])c2ccc(=O)oc12 ZINC000006403362 342777203 /nfs/dbraw/zinc/77/72/03/342777203.db2.gz XPFCGZWOHNGDSP-UHFFFAOYSA-N 0 0 232.191 2.253 10 0 biogenic,in-vitro BEAERN CCC(C)(CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185519228 538970913 /nfs/dbraw/zinc/97/09/13/538970913.db2.gz KDIKBPJUVRWVTK-GFCCVEGCSA-N 0 0 238.375 2.119 10 0 BEAERN COc1cc(-c2cccs2)ncc1N ZINC000147773821 342779836 /nfs/dbraw/zinc/77/98/36/342779836.db2.gz LJBQVPUIOMNAOH-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN CSC(=C[N+](=O)[O-])NCc1ccccc1 ZINC000035784960 342782706 /nfs/dbraw/zinc/78/27/06/342782706.db2.gz GGFNXQPGFDGGNP-CSKARUKUSA-N 0 0 224.285 2.215 10 0 BEAERN CS[C@@H](C)C(=O)NCCC1CCCC1 ZINC000043013848 342785866 /nfs/dbraw/zinc/78/58/66/342785866.db2.gz KNZAAINOEAMLJE-VIFPVBQESA-N 0 0 215.362 2.434 10 0 BEAERN CCC[C@H]1O[C@H]1C(=O)Nc1ccccc1 ZINC000148551485 342791073 /nfs/dbraw/zinc/79/10/73/342791073.db2.gz LQOOHUACSGEWLW-GHMZBOCLSA-N 0 0 205.257 2.193 10 0 BEAERN CCn1nc(-c2ccccc2)c(N)c1C ZINC000149003949 342792942 /nfs/dbraw/zinc/79/29/42/342792942.db2.gz IIGKHGBXIYGYMY-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN O=C(CC1CCSCC1)[C@@H]1CCCO1 ZINC000157653107 342810981 /nfs/dbraw/zinc/81/09/81/342810981.db2.gz NWITUVBJHXIIPE-NSHDSACASA-N 0 0 214.330 2.268 10 0 BEAERN Nc1ccc(-c2cnn3c2CCCC3)cc1 ZINC000630051013 361914665 /nfs/dbraw/zinc/91/46/65/361914665.db2.gz HZTIBLXLAOVSHE-UHFFFAOYSA-N 0 0 213.284 2.469 10 0 BEAERN CCNc1nc(N)c(Cl)cc1Cl ZINC000226557788 342823276 /nfs/dbraw/zinc/82/32/76/342823276.db2.gz IMLRQTYQZJJJLU-UHFFFAOYSA-N 0 0 206.076 2.402 10 0 BEAERN CC[C@@H](NN)c1cc(Br)cs1 ZINC000097535641 342807069 /nfs/dbraw/zinc/80/70/69/342807069.db2.gz AKQXYGINRSIASQ-ZCFIWIBFSA-N 0 0 235.150 2.425 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000190199004 538988205 /nfs/dbraw/zinc/98/82/05/538988205.db2.gz LBJHYHZYYFVSNL-NEPJUHHUSA-N 0 0 225.332 2.204 10 0 BEAERN CCC(CC)CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191285269 538991945 /nfs/dbraw/zinc/99/19/45/538991945.db2.gz YEKTZTOUGQANRN-ZYHUDNBSSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1cc(N[C@@H]2CCCOC2)nc(Cl)n1 ZINC000071024618 361931631 /nfs/dbraw/zinc/93/16/31/361931631.db2.gz NZDPQVNXPBRNPV-MRVPVSSYSA-N 0 0 227.695 2.029 10 0 BEAERN CCC(C)(C)NC(=O)[C@H]1CCCO[C@H]1C ZINC000191731054 538993371 /nfs/dbraw/zinc/99/33/71/538993371.db2.gz REGYCESCZJQWPS-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)CCc2c[nH]cn2)o1 ZINC000188942612 538980478 /nfs/dbraw/zinc/98/04/78/538980478.db2.gz AVASLCGMPKEFOP-SNVBAGLBSA-N 0 0 247.298 2.121 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)CCc2c[nH]cn2)o1 ZINC000188942634 538980687 /nfs/dbraw/zinc/98/06/87/538980687.db2.gz AVASLCGMPKEFOP-JTQLQIEISA-N 0 0 247.298 2.121 10 0 BEAERN FC(F)(F)Cn1c(Cl)nnc1C1CC1 ZINC000071052945 361936513 /nfs/dbraw/zinc/93/65/13/361936513.db2.gz LIFQPATXLZPPSU-UHFFFAOYSA-N 0 0 225.601 2.371 10 0 BEAERN Fc1ccccc1CCn1cnnc1Cl ZINC000071052914 361937126 /nfs/dbraw/zinc/93/71/26/361937126.db2.gz BVCMYROLFUZYBQ-UHFFFAOYSA-N 0 0 225.654 2.313 10 0 BEAERN Fc1ccc(-n2cnnc2Cl)c(F)c1 ZINC000071053047 361937633 /nfs/dbraw/zinc/93/76/33/361937633.db2.gz ZCTFVQLKROOTGH-UHFFFAOYSA-N 0 0 215.590 2.199 10 0 BEAERN Cc1cc(F)ccc1-n1cnnc1Cl ZINC000071053016 361937934 /nfs/dbraw/zinc/93/79/34/361937934.db2.gz SBSPVLVZBXMDLF-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN Fc1cc(F)c(F)c(-n2cnnc2Cl)c1 ZINC000071055277 361938615 /nfs/dbraw/zinc/93/86/15/361938615.db2.gz MMWTYYAYVOJWEO-UHFFFAOYSA-N 0 0 233.580 2.338 10 0 BEAERN CCc1nnc(Cl)n1-c1cnccc1C ZINC000071055555 361939198 /nfs/dbraw/zinc/93/91/98/361939198.db2.gz JXEGOGUHIDKQHA-UHFFFAOYSA-N 0 0 222.679 2.187 10 0 BEAERN CCOC(=O)[C@@]1(CC)O[C@]12CCC2(C)C ZINC000379981823 538983305 /nfs/dbraw/zinc/98/33/05/538983305.db2.gz SNSDMNSHERNTLZ-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@H]1C[C@@H]1c1nnc(Br)s1 ZINC000071051555 361941567 /nfs/dbraw/zinc/94/15/67/361941567.db2.gz VNHOCWHONCWCPV-IMJSIDKUSA-N 0 0 219.107 2.424 10 0 BEAERN FC(F)(F)Cc1nnc(Cl)s1 ZINC000071050825 361941916 /nfs/dbraw/zinc/94/19/16/361941916.db2.gz WVCZQBNZROXOHH-UHFFFAOYSA-N 0 0 202.588 2.296 10 0 BEAERN Clc1nnc(Cc2ccncc2)s1 ZINC000071050826 361942039 /nfs/dbraw/zinc/94/20/39/361942039.db2.gz PEIQVNSADFINMQ-UHFFFAOYSA-N 0 0 211.677 2.177 10 0 BEAERN CC(=O)Nc1cccc(SC(C)=O)c1 ZINC000166181580 398292302 /nfs/dbraw/zinc/29/23/02/398292302.db2.gz WYTMCCIDRRAWCD-UHFFFAOYSA-N 0 0 209.270 2.284 10 0 BEAERN Nc1ccc(Sc2ccncn2)cc1 ZINC000042143767 361960277 /nfs/dbraw/zinc/96/02/77/361960277.db2.gz KFKOITHHRPFMRX-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN CCc1cc(N[C@]2(C)CCCOC2)ncn1 ZINC000381742517 539006552 /nfs/dbraw/zinc/00/65/52/539006552.db2.gz PFURILMLTNDKNQ-GFCCVEGCSA-N 0 0 221.304 2.020 10 0 BEAERN NS(=O)(=O)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000050350707 539010812 /nfs/dbraw/zinc/01/08/12/539010812.db2.gz XHJFCDVSFCRXLT-VXGBXAGGSA-N 0 0 245.388 2.414 10 0 BEAERN NS(=O)(=O)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000050350705 539010843 /nfs/dbraw/zinc/01/08/43/539010843.db2.gz XHJFCDVSFCRXLT-NWDGAFQWSA-N 0 0 245.388 2.414 10 0 BEAERN CCCCn1c(=S)[nH]nc1-c1cnccn1 ZINC000196350699 539011661 /nfs/dbraw/zinc/01/16/61/539011661.db2.gz OHUMHRRYTFMXQK-UHFFFAOYSA-N 0 0 235.316 2.198 10 0 BEAERN CCOC(=O)C(C)(C)[C@@H](O)c1cccc(F)c1 ZINC000052256886 539011958 /nfs/dbraw/zinc/01/19/58/539011958.db2.gz HWZBUDGIECRQLW-NSHDSACASA-N 0 0 240.274 2.448 10 0 BEAERN Clc1nnc(C2CCSCC2)o1 ZINC000401526753 342835708 /nfs/dbraw/zinc/83/57/08/342835708.db2.gz GGLZKBRADOGTPH-UHFFFAOYSA-N 0 0 204.682 2.334 10 0 BEAERN NN[C@@H](c1c(F)cccc1Cl)C1CC1 ZINC000097747801 342835876 /nfs/dbraw/zinc/83/58/76/342835876.db2.gz OPHMMHXOOYVOQH-SNVBAGLBSA-N 0 0 214.671 2.394 10 0 BEAERN Nc1ccccc1SC[C@H]1CCOC1 ZINC000042375699 361987969 /nfs/dbraw/zinc/98/79/69/361987969.db2.gz HAGFBJAIZXIBLM-VIFPVBQESA-N 0 0 209.314 2.397 10 0 BEAERN Cc1ccc([C@H]2NCCc3occc32)o1 ZINC000709936763 539027884 /nfs/dbraw/zinc/02/78/84/539027884.db2.gz DTZXNZKJZJDFKJ-LBPRGKRZSA-N 0 0 203.241 2.416 10 0 BEAERN C[C@H](Cn1cc(N)ccc1=O)C(C)(C)C ZINC000710768964 539028048 /nfs/dbraw/zinc/02/80/48/539028048.db2.gz NZPAQBTTZFLHHH-SECBINFHSA-N 0 0 208.305 2.113 10 0 BEAERN O=C(c1cncs1)C1CCSCC1 ZINC000401591054 342840131 /nfs/dbraw/zinc/84/01/31/342840131.db2.gz RDIGYUFLNMHZLY-UHFFFAOYSA-N 0 0 213.327 2.469 10 0 BEAERN CCCC[C@H](C)N(C)CC(F)(F)CN ZINC000389297403 539016289 /nfs/dbraw/zinc/01/62/89/539016289.db2.gz HHUUSKPIAYVCGM-VIFPVBQESA-N 0 0 208.296 2.091 10 0 BEAERN CCOC(=O)c1cc2cc[nH]cc-2c(=O)c1 ZINC000260894580 259326670 /nfs/dbraw/zinc/32/66/70/259326670.db2.gz FBNUVWCJGNSFTP-UHFFFAOYSA-N 0 0 217.224 2.117 10 0 BEAERN CCC[C@@H]1C[C@H]1NC1N=NC(=S)S1 ZINC000233312426 342855336 /nfs/dbraw/zinc/85/53/36/342855336.db2.gz KPOBNMOMWGSCKG-PHDIDXHHSA-N 0 0 215.347 2.427 10 0 BEAERN C[C@@H](N)c1nnc([C@]2(C)CCCS2)s1 ZINC000164993282 342863989 /nfs/dbraw/zinc/86/39/89/342863989.db2.gz UYNCQRMAXFWFDD-MUWHJKNJSA-N 0 0 229.374 2.300 10 0 BEAERN c1coc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000091979200 398304364 /nfs/dbraw/zinc/30/43/64/398304364.db2.gz UMPDKQKKXVHSJS-QWHCGFSZSA-N 0 0 221.300 2.423 10 0 BEAERN O=C1CSC[C@@H]1CC1(O)CCCCC1 ZINC000134556970 342865813 /nfs/dbraw/zinc/86/58/13/342865813.db2.gz SUCRSGQTNXGUOQ-VIFPVBQESA-N 0 0 214.330 2.004 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@@H]1CCO[C@@H]1C ZINC000134562628 342866111 /nfs/dbraw/zinc/86/61/11/342866111.db2.gz JLLYNIDJMGFROP-ZYHUDNBSSA-N 0 0 207.273 2.267 10 0 BEAERN Cc1cc(C)c([C@H](CCO)NO)c(C)c1 ZINC000308746647 342866383 /nfs/dbraw/zinc/86/63/83/342866383.db2.gz DPIPFPJBZMDKKM-NSHDSACASA-N 0 0 209.289 2.014 10 0 BEAERN Cc1ncsc1CC[C@@H]1CSCC1=O ZINC000134567518 342868699 /nfs/dbraw/zinc/86/86/99/342868699.db2.gz YGNQHNPZMZZYDK-MRVPVSSYSA-N 0 0 227.354 2.316 10 0 BEAERN CCCCc1nc2c(c(N)n1)CSC2 ZINC000134717535 342878719 /nfs/dbraw/zinc/87/87/19/342878719.db2.gz ZEEYAJAPNMFOIS-UHFFFAOYSA-N 0 0 209.318 2.148 10 0 BEAERN O=C1CSC[C@H]1Cc1ccc(F)cc1F ZINC000134568695 342868769 /nfs/dbraw/zinc/86/87/69/342868769.db2.gz FOVFBLOOVWJZBD-MRVPVSSYSA-N 0 0 228.263 2.439 10 0 BEAERN Cc1nc(N[C@H]2CCO[C@@H]2C)sc1C ZINC000134568969 342868822 /nfs/dbraw/zinc/86/88/22/342868822.db2.gz RSIBGVRXFDAFEA-APPZFPTMSA-N 0 0 212.318 2.349 10 0 BEAERN O=C1CSC[C@@H]1Cc1ccc(F)cc1F ZINC000134568719 342868845 /nfs/dbraw/zinc/86/88/45/342868845.db2.gz FOVFBLOOVWJZBD-QMMMGPOBSA-N 0 0 228.263 2.439 10 0 BEAERN O=C(CC1CCCCC1)N[C@H]1CCC[C@H](O)C1 ZINC000077102466 398306166 /nfs/dbraw/zinc/30/61/66/398306166.db2.gz NXTQHTHYWGAKMV-STQMWFEESA-N 0 0 239.359 2.377 10 0 BEAERN Cc1cc(N[C@@H]2CCO[C@@H]2C)nc(Cl)n1 ZINC000134582648 342870403 /nfs/dbraw/zinc/87/04/03/342870403.db2.gz OEUKNNJWGKYQEK-HTQZYQBOSA-N 0 0 227.695 2.028 10 0 BEAERN CC(C)Cn1c(=O)cc(Cl)nc1C1CC1 ZINC000165035035 342871183 /nfs/dbraw/zinc/87/11/83/342871183.db2.gz FKPLIGVXEPWDGI-UHFFFAOYSA-N 0 0 226.707 2.430 10 0 BEAERN Cc1cc(N[C@@H](C)C[C@@H](C)O)nc(Cl)n1 ZINC000165043025 342871688 /nfs/dbraw/zinc/87/16/88/342871688.db2.gz CTAQWHOROQDIID-POYBYMJQSA-N 0 0 229.711 2.010 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1nc(Cl)cs1 ZINC000165060633 342872719 /nfs/dbraw/zinc/87/27/19/342872719.db2.gz ZEXBKOMTZIABDC-BQBZGAKWSA-N 0 0 232.736 2.369 10 0 BEAERN CCOC(=O)c1ccc(C(=O)C(F)F)s1 ZINC000308828101 342872722 /nfs/dbraw/zinc/87/27/22/342872722.db2.gz RYACXGPNBJFYLR-UHFFFAOYSA-N 0 0 234.223 2.373 10 0 BEAERN CCc1cccnc1C(=O)c1ccoc1 ZINC000134614144 342873053 /nfs/dbraw/zinc/87/30/53/342873053.db2.gz VGQXMJGISADRCN-UHFFFAOYSA-N 0 0 201.225 2.468 10 0 BEAERN COC(=O)Cc1c(C)cc(C)cc1OC ZINC000034079597 342878862 /nfs/dbraw/zinc/87/88/62/342878862.db2.gz IMNBLTGQGYYMTF-UHFFFAOYSA-N 0 0 208.257 2.028 10 0 BEAERN Clc1nc(-c2ncc[nH]2)nc2c1CSC2 ZINC000134647482 342874851 /nfs/dbraw/zinc/87/48/51/342874851.db2.gz VAUUGTJHRIOEQR-UHFFFAOYSA-N 0 0 238.703 2.267 10 0 BEAERN O[C@H]1CSC[C@H]1CCc1cccs1 ZINC000134656338 342875262 /nfs/dbraw/zinc/87/52/62/342875262.db2.gz KAXLDGMLMFZFTB-SCZZXKLOSA-N 0 0 214.355 2.405 10 0 BEAERN O[C@@H]1CSC[C@@H]1Cc1ccc(F)cc1 ZINC000134659138 342875282 /nfs/dbraw/zinc/87/52/82/342875282.db2.gz ZBCJDOAKAQJHEJ-GXSJLCMTSA-N 0 0 212.289 2.092 10 0 BEAERN O[C@@H]1CSC[C@H]1CCc1cccs1 ZINC000134656378 342875426 /nfs/dbraw/zinc/87/54/26/342875426.db2.gz KAXLDGMLMFZFTB-PSASIEDQSA-N 0 0 214.355 2.405 10 0 BEAERN CCOC(=O)c1cc(F)c(CC)cc1N ZINC000308913053 342876229 /nfs/dbraw/zinc/87/62/29/342876229.db2.gz XHKRSZHBADQUJH-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN NC(=S)Nc1ccc2c(c1)CCCC2 ZINC000165130657 342876413 /nfs/dbraw/zinc/87/64/13/342876413.db2.gz DKOZKMIDAPYCRN-UHFFFAOYSA-N 0 0 206.314 2.221 10 0 BEAERN C/C=C/Cn1ncc(Cl)c(Cl)c1=O ZINC000165145534 342877589 /nfs/dbraw/zinc/87/75/89/342877589.db2.gz AEPKVWFSSLNFJE-NSCUHMNNSA-N 0 0 219.071 2.126 10 0 BEAERN CCCn1nccc1NC(=O)N(C)CC1CC1 ZINC000047391823 342877752 /nfs/dbraw/zinc/87/77/52/342877752.db2.gz SDUXTFUQEBZWNQ-UHFFFAOYSA-N 0 0 236.319 2.167 10 0 BEAERN CCOC(=O)Nc1cccc(C2OCCO2)c1 ZINC000233695468 342878003 /nfs/dbraw/zinc/87/80/03/342878003.db2.gz ZGECXZZANUMMLK-UHFFFAOYSA-N 0 0 237.255 2.300 10 0 BEAERN CC[C@@H](Nc1cnc(C(=O)OC)cn1)C(C)C ZINC000233900006 342894909 /nfs/dbraw/zinc/89/49/09/342894909.db2.gz YYITXSLHIQHMJS-SECBINFHSA-N 0 0 237.303 2.110 10 0 BEAERN CC(=O)CC(=O)N(CC(C)C)CC(C)C ZINC000036200426 342897308 /nfs/dbraw/zinc/89/73/08/342897308.db2.gz XBNOQTZVLVBPPW-UHFFFAOYSA-N 0 0 213.321 2.106 10 0 BEAERN COc1c(Cl)ncnc1N[C@@H](C)C1CC1 ZINC000134740383 342880876 /nfs/dbraw/zinc/88/08/76/342880876.db2.gz NOLYCMPKVJSTCX-LURJTMIESA-N 0 0 227.695 2.349 10 0 BEAERN Nc1ccc(Cl)cc1N[C@@H]1CCOC1 ZINC000228413672 398324399 /nfs/dbraw/zinc/32/43/99/398324399.db2.gz YOYMXIPRGFKCHC-MRVPVSSYSA-N 0 0 212.680 2.123 10 0 BEAERN CCOC(=O)N1CCSC(C)(C)CC1 ZINC000228669353 398325724 /nfs/dbraw/zinc/32/57/24/398325724.db2.gz JOCHXODUWVVYKI-UHFFFAOYSA-N 0 0 217.334 2.360 10 0 BEAERN CCO[C@@H](CC(=O)OC)c1ccc(O)cc1 ZINC000116390553 342925325 /nfs/dbraw/zinc/92/53/25/342925325.db2.gz PRYAMAHCFXBFET-NSHDSACASA-N 0 0 224.256 2.033 10 0 BEAERN CCOC(=O)[C@@H](C)c1ccc(Cl)nc1 ZINC000116392622 342926045 /nfs/dbraw/zinc/92/60/45/342926045.db2.gz SIXCRQRCXMLIFG-ZETCQYMHSA-N 0 0 213.664 2.402 10 0 BEAERN CC[C@@](C)(O)C(=O)c1cc(F)cc(F)c1 ZINC000233960458 342914760 /nfs/dbraw/zinc/91/47/60/342914760.db2.gz DWCOVIRGHYUYQB-LLVKDONJSA-N 0 0 214.211 2.309 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N[C@@H](C)C(C)C ZINC000036980815 342915377 /nfs/dbraw/zinc/91/53/77/342915377.db2.gz UFTRVJLFQQSVBA-WDEREUQCSA-N 0 0 215.337 2.208 10 0 BEAERN Brc1ccc2c(ccc3nnnn32)c1 ZINC000116632009 342930057 /nfs/dbraw/zinc/93/00/57/342930057.db2.gz MVWUEMSHZKBKKO-UHFFFAOYSA-N 0 0 249.071 2.040 10 0 BEAERN CCc1cnc(NC(=O)N[C@H]2C[C@@H]2C)s1 ZINC000174199574 346878699 /nfs/dbraw/zinc/87/86/99/346878699.db2.gz IMHCHMCDEFQIFF-XPUUQOCRSA-N 0 0 225.317 2.235 10 0 BEAERN O=C1CCCc2[nH]c3cc4c(cc3c21)OCO4 ZINC000575433677 398327938 /nfs/dbraw/zinc/32/79/38/398327938.db2.gz BHICIMWASUFHFW-UHFFFAOYSA-N 0 0 229.235 2.416 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000153408915 398336611 /nfs/dbraw/zinc/33/66/11/398336611.db2.gz BECWGGOPFVVVDW-TZMCWYRMSA-N 0 0 239.359 2.308 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCCC1=CCCC1 ZINC000120016141 398336871 /nfs/dbraw/zinc/33/68/71/398336871.db2.gz XBQVQEQSJAPRMI-KOLCDFICSA-N 0 0 208.305 2.194 10 0 BEAERN C=CS(=O)(=O)c1cccc(C(F)(F)F)n1 ZINC000044271858 398338372 /nfs/dbraw/zinc/33/83/72/398338372.db2.gz LWLONMRCMYLGKX-UHFFFAOYSA-N 0 0 237.202 2.018 10 0 BEAERN COC(=O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000124722532 398339021 /nfs/dbraw/zinc/33/90/21/398339021.db2.gz CFHNKDBBWMWYLH-NSHDSACASA-N 0 0 237.299 2.288 10 0 BEAERN CNc1ncccc1C(=O)NCc1ccccc1 ZINC000050721605 398333772 /nfs/dbraw/zinc/33/37/72/398333772.db2.gz OOIFJBBWNMKTAH-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000133684749 178467175 /nfs/dbraw/zinc/46/71/75/178467175.db2.gz UMQOQNZJOXZUDV-NWDGAFQWSA-N 0 0 235.327 2.050 10 0 BEAERN COC(=O)c1cc(O)cc(C)c1NC1CC1 ZINC000220795696 398343775 /nfs/dbraw/zinc/34/37/75/398343775.db2.gz XBXWXKMALSKDDI-UHFFFAOYSA-N 0 0 221.256 2.062 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC(CCO)CC1 ZINC000400996779 323024835 /nfs/dbraw/zinc/02/48/35/323024835.db2.gz KUEXEYBAXUZKOM-YPMHNXCESA-N 0 0 239.359 2.044 10 0 BEAERN CCN(CC)C(=O)c1ccc2c(c1)CCN2 ZINC000019722377 342954552 /nfs/dbraw/zinc/95/45/52/342954552.db2.gz HRUHWMJPPKVMON-UHFFFAOYSA-N 0 0 218.300 2.137 10 0 BEAERN O=S1(=O)CC=C(c2cccc(Cl)c2)C1 ZINC000040173707 342959200 /nfs/dbraw/zinc/95/92/00/342959200.db2.gz DXRISZHWHGRUAO-UHFFFAOYSA-N 0 0 228.700 2.152 10 0 BEAERN CCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000040175797 342959863 /nfs/dbraw/zinc/95/98/63/342959863.db2.gz KXJQIPUJLJRXQG-UHFFFAOYSA-N 0 0 203.245 2.043 10 0 BEAERN Cc1nc([C@H](C)[NH2+]CC2CC(O)C2)c(C)s1 ZINC000084446392 342986230 /nfs/dbraw/zinc/98/62/30/342986230.db2.gz IPBTYFSKKZEBQS-ARTQYDKTSA-N 0 0 240.372 2.181 10 0 BEAERN Cc1n[nH]c(C)c1CNCc1cccc(C)n1 ZINC000048446798 343001096 /nfs/dbraw/zinc/00/10/96/343001096.db2.gz JDLSASOEUNPIAW-UHFFFAOYSA-N 0 0 230.315 2.020 10 0 BEAERN CC(C)Oc1cccc(N(C)C)c1C=O ZINC000088342798 343007814 /nfs/dbraw/zinc/00/78/14/343007814.db2.gz IRBUENGQOMRADI-UHFFFAOYSA-N 0 0 207.273 2.352 10 0 BEAERN CCOC(OCC)[C@@H](C)[C@H](C)OCC ZINC000036467128 343014589 /nfs/dbraw/zinc/01/45/89/343014589.db2.gz BWDYLUMZXQQYHK-UWVGGRQHSA-N 0 0 204.310 2.447 10 0 BEAERN O=C1CCCNc2nn(-c3ccccc3)cc21 ZINC000021925849 343027628 /nfs/dbraw/zinc/02/76/28/343027628.db2.gz WDBHCWTXSSWPOI-UHFFFAOYSA-N 0 0 227.267 2.261 10 0 BEAERN NC(=O)[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000118120477 343040360 /nfs/dbraw/zinc/04/03/60/343040360.db2.gz NPWQFNVJAVSZPT-GFCCVEGCSA-N 0 0 246.697 2.352 10 0 BEAERN Cc1ccc(C)c(N[C@H]2CCCCNC2=O)c1 ZINC000020056080 178485397 /nfs/dbraw/zinc/48/53/97/178485397.db2.gz LDYSWENUFNRIQK-LBPRGKRZSA-N 0 0 232.327 2.384 10 0 BEAERN C[C@H](NN)C1CCC(C(F)(F)F)CC1 ZINC000127211322 344025629 /nfs/dbraw/zinc/02/56/29/344025629.db2.gz XJXCIROFSKXIJJ-KKMMWDRVSA-N 0 0 210.243 2.207 10 0 BEAERN C[C@H]1CC(CNc2cccnn2)C[C@H](C)O1 ZINC000309833685 259343923 /nfs/dbraw/zinc/34/39/23/259343923.db2.gz ZJWNVXNOZDLSIJ-UWVGGRQHSA-N 0 0 221.304 2.092 10 0 BEAERN CCOc1cccc(C(=O)CCC(=O)OC)c1 ZINC000043368612 343057844 /nfs/dbraw/zinc/05/78/44/343057844.db2.gz OXDVCURFCCSMJY-UHFFFAOYSA-N 0 0 236.267 2.221 10 0 BEAERN O=c1[nH]c(-c2cc(F)cc(F)c2)nc2c1CCC2 ZINC000043387597 343061498 /nfs/dbraw/zinc/06/14/98/343061498.db2.gz MZNQTJPUMPZGBC-UHFFFAOYSA-N 0 0 248.232 2.204 10 0 BEAERN CCOC(=O)C[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000043388706 343061520 /nfs/dbraw/zinc/06/15/20/343061520.db2.gz KVXLQQGXKDKPTI-JTQLQIEISA-N 0 0 245.681 2.432 10 0 BEAERN CC[C@@](C)(OC)c1nc(Br)no1 ZINC000234021053 343066028 /nfs/dbraw/zinc/06/60/28/343066028.db2.gz CMDCFTZLBGHTNU-SSDOTTSWSA-N 0 0 235.081 2.104 10 0 BEAERN COC(=O)c1cnc(Oc2ccccc2)nc1 ZINC000140149707 343070554 /nfs/dbraw/zinc/07/05/54/343070554.db2.gz CZRDNWKYZROYBX-UHFFFAOYSA-N 0 0 230.223 2.056 10 0 BEAERN CCOC(=O)/C=C(\N)c1cccc(Cl)c1 ZINC000140770817 343079267 /nfs/dbraw/zinc/07/92/67/343079267.db2.gz QFKRGLQCGZBCGU-YFHOEESVSA-N 0 0 225.675 2.203 10 0 BEAERN Nc1cnc2ccc(OC(F)F)cc2c1 ZINC000584882077 343079909 /nfs/dbraw/zinc/07/99/09/343079909.db2.gz KSXFIZQJBKNPAD-UHFFFAOYSA-N 0 0 210.183 2.418 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(cc(F)cc2C)N1 ZINC000584881145 343082009 /nfs/dbraw/zinc/08/20/09/343082009.db2.gz DAPPEJXGZRTASV-NSHDSACASA-N 0 0 223.247 2.034 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(c(C)ccc2F)N1 ZINC000584881798 343082899 /nfs/dbraw/zinc/08/28/99/343082899.db2.gz RBIUPQWPYZRICO-SNVBAGLBSA-N 0 0 223.247 2.034 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(ccc(C)c2C)N1 ZINC000584882037 343083674 /nfs/dbraw/zinc/08/36/74/343083674.db2.gz YDOBIKSVYCSBCO-GFCCVEGCSA-N 0 0 219.284 2.203 10 0 BEAERN CC(=O)C1=C(O)CC[C@@H](c2ccccn2)C1 ZINC000140857104 343083822 /nfs/dbraw/zinc/08/38/22/343083822.db2.gz YTIBMSSCVFJZRV-GHMZBOCLSA-N 0 0 217.268 2.123 10 0 BEAERN CCNc1c2cnn([C@H](C)CC)c2ncc1N ZINC000584882238 343084682 /nfs/dbraw/zinc/08/46/82/343084682.db2.gz WAIBHFKFRFBPTI-MRVPVSSYSA-N 0 0 233.319 2.416 10 0 BEAERN CCCOc1ccc2[nH+]cc(N)c(NC)c2c1 ZINC000584882627 343085104 /nfs/dbraw/zinc/08/51/04/343085104.db2.gz MHUUNHZMGUKPMI-UHFFFAOYSA-N 0 0 231.299 2.069 10 0 BEAERN Cc1ccc(C(=O)[C@H](O)c2ccc(C)o2)o1 ZINC000013534624 343092232 /nfs/dbraw/zinc/09/22/32/343092232.db2.gz XFEDLVNZHYWKRN-LLVKDONJSA-N 0 0 220.224 2.406 10 0 BEAERN CNc1c(N)cnc2c(Cl)cc(F)cc21 ZINC000584882842 343085395 /nfs/dbraw/zinc/08/53/95/343085395.db2.gz WIQLMSIFYVIYLO-UHFFFAOYSA-N 0 0 225.654 2.073 10 0 BEAERN Nc1cnc2c(OC(F)(F)F)cccc2c1N ZINC000584882762 343085673 /nfs/dbraw/zinc/08/56/73/343085673.db2.gz PVQUVWGUSFCNAT-UHFFFAOYSA-N 0 0 243.188 2.298 10 0 BEAERN CCOC(=O)[C@]1(CC)NCCc2ccsc21 ZINC000584883882 343087077 /nfs/dbraw/zinc/08/70/77/343087077.db2.gz UVHIZIAROZPJNQ-GFCCVEGCSA-N 0 0 239.340 2.062 10 0 BEAERN COc1csc([C@H](N)c2cscn2)c1 ZINC000306669349 362032192 /nfs/dbraw/zinc/03/21/92/362032192.db2.gz GRMKUVYNDPCNCK-SECBINFHSA-N 0 0 226.326 2.261 10 0 BEAERN COc1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000072236790 343088866 /nfs/dbraw/zinc/08/88/66/343088866.db2.gz NWZCUURTBYDKPV-UHFFFAOYSA-N 0 0 243.188 2.499 10 0 BEAERN O=Cc1cccc(O[C@@H]2CCCCO2)c1 ZINC000038283712 343091745 /nfs/dbraw/zinc/09/17/45/343091745.db2.gz CUOBWSLIFAJGNN-GFCCVEGCSA-N 0 0 206.241 2.405 10 0 BEAERN CC(C)C[C@@H]1Oc2cccc(N)c2NC1=O ZINC000074075135 343074466 /nfs/dbraw/zinc/07/44/66/343074466.db2.gz ZJAHFYCWFHBFDP-JTQLQIEISA-N 0 0 220.272 2.014 10 0 BEAERN CC(C)C(=O)N1CC[C@@H](O)c2ccccc21 ZINC000062552454 343074555 /nfs/dbraw/zinc/07/45/55/343074555.db2.gz ZCEGJPPHZGJVCD-GFCCVEGCSA-N 0 0 219.284 2.113 10 0 BEAERN Clc1cc(Cl)nc([C@H]2CCOC2)n1 ZINC000082473722 343074814 /nfs/dbraw/zinc/07/48/14/343074814.db2.gz KIYBIZPTCWNELV-YFKPBYRVSA-N 0 0 219.071 2.287 10 0 BEAERN O=c1[nH]c(NC2CC2)cc2ccccc21 ZINC000037499061 343074922 /nfs/dbraw/zinc/07/49/22/343074922.db2.gz DRUFCVKNGKOLHC-UHFFFAOYSA-N 0 0 200.241 2.102 10 0 BEAERN C[C@@H](O)c1ccc(N2CCC[C@H](C)C2)nc1 ZINC000124895270 343075485 /nfs/dbraw/zinc/07/54/85/343075485.db2.gz NZFOSSZYXMEGLL-WDEREUQCSA-N 0 0 220.316 2.371 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(cc(C)cc2C)N1 ZINC000261068801 343077491 /nfs/dbraw/zinc/07/74/91/343077491.db2.gz QZTWKPVLKJQBCT-GFCCVEGCSA-N 0 0 219.284 2.203 10 0 BEAERN Clc1cc(NCCc2ccco2)ncn1 ZINC000042595595 362012903 /nfs/dbraw/zinc/01/29/03/362012903.db2.gz GYYSTSWMVMJOLQ-UHFFFAOYSA-N 0 0 223.663 2.378 10 0 BEAERN CCOC(OCC)C(=O)C1CCCC1 ZINC000043503894 343100826 /nfs/dbraw/zinc/10/08/26/343100826.db2.gz IHBQXFOYQJOBQA-UHFFFAOYSA-N 0 0 200.278 2.145 10 0 BEAERN CN(C)C(=O)c1sc(Cl)nc1Cl ZINC000144524739 362043968 /nfs/dbraw/zinc/04/39/68/362043968.db2.gz ALQAINAWNVXEKG-UHFFFAOYSA-N 0 0 225.100 2.152 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000126663855 187231905 /nfs/dbraw/zinc/23/19/05/187231905.db2.gz ZLPWSTXALIJISN-GMTAPVOTSA-N 0 0 241.306 2.324 10 0 BEAERN O=C1C[C@H](c2cccc3ccccc32)CN1 ZINC000013781782 343103574 /nfs/dbraw/zinc/10/35/74/343103574.db2.gz NFDWHRSBPFSPQO-NSHDSACASA-N 0 0 211.264 2.443 10 0 BEAERN O=C1CCC2(N1)C1CC3CC(C1)CC2C3 ZINC000038866902 343109952 /nfs/dbraw/zinc/10/99/52/343109952.db2.gz CGXGSOKIYGVUOZ-UHFFFAOYSA-N 0 0 205.301 2.091 10 0 BEAERN C[C@H]1C[C@H]1Nc1ccc(S(C)(=O)=O)cc1F ZINC000288895649 187240658 /nfs/dbraw/zinc/24/06/58/187240658.db2.gz NKXUIJDKUUOSMQ-WRWORJQWSA-N 0 0 243.303 2.050 10 0 BEAERN C[C@@H](O)CC[C@H]1OC(=O)c2ccccc21 ZINC000014444836 343124499 /nfs/dbraw/zinc/12/44/99/343124499.db2.gz BOPXPQRBGFXGQN-LDYMZIIASA-N 0 0 206.241 2.059 10 0 BEAERN Cc1ccsc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000027915892 343125768 /nfs/dbraw/zinc/12/57/68/343125768.db2.gz PTBUMQRIEWEZCX-VHSXEESVSA-N 0 0 239.340 2.354 10 0 BEAERN CC(=O)C1=C(O)CC[C@H](c2cccnc2)C1 ZINC000144023784 343129573 /nfs/dbraw/zinc/12/95/73/343129573.db2.gz YHMBTWNQVFIUHF-JQWIXIFHSA-N 0 0 217.268 2.123 10 0 BEAERN C[C@H](CO)ON1C(C)(C)CCCC1(C)C ZINC000144593826 343136477 /nfs/dbraw/zinc/13/64/77/343136477.db2.gz PGBHEWDQSMPERL-SNVBAGLBSA-N 0 0 215.337 2.342 10 0 BEAERN CC(=O)CCn1c(C)nc2ccccc21 ZINC000020303520 343140509 /nfs/dbraw/zinc/14/05/09/343140509.db2.gz CMBMAJGCCKXAMV-UHFFFAOYSA-N 0 0 202.257 2.324 10 0 BEAERN Fc1cccc(F)c1C1N=NC(=S)O1 ZINC000026514120 343140782 /nfs/dbraw/zinc/14/07/82/343140782.db2.gz PYZAGKISRVVNBB-UHFFFAOYSA-N 0 0 214.196 2.304 10 0 BEAERN CC[C@@H](C)[C@@H]1Nc2ccccc2NC1=O ZINC000031890411 343142179 /nfs/dbraw/zinc/14/21/79/343142179.db2.gz USEJKDHPEGYAPK-KCJUWKMLSA-N 0 0 204.273 2.465 10 0 BEAERN COC(COc1ccc(Cl)cc1)OC ZINC000034574538 343142640 /nfs/dbraw/zinc/14/26/40/343142640.db2.gz NRQPDKBGGREDNA-UHFFFAOYSA-N 0 0 216.664 2.338 10 0 BEAERN OCCCCOc1cccc(Cl)c1 ZINC000035650248 343143078 /nfs/dbraw/zinc/14/30/78/343143078.db2.gz ZBLVVOUQDVODAL-UHFFFAOYSA-N 0 0 200.665 2.491 10 0 BEAERN CC(=O)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000037947285 343144968 /nfs/dbraw/zinc/14/49/68/343144968.db2.gz NHFRZBQSUNGUJB-MRVPVSSYSA-N 0 0 207.229 2.362 10 0 BEAERN CCOC(=O)c1c(N)[nH]c2cc(C)ccc21 ZINC000131727126 343184188 /nfs/dbraw/zinc/18/41/88/343184188.db2.gz BYPBKPQWJXSQRA-UHFFFAOYSA-N 0 0 218.256 2.235 10 0 BEAERN C[C@H](N[C@@H](C)c1ncc[nH]1)c1cscn1 ZINC000124733118 343164644 /nfs/dbraw/zinc/16/46/44/343164644.db2.gz DUUYFLAMZSNCBA-YUMQZZPRSA-N 0 0 222.317 2.278 10 0 BEAERN CCc1ncc(Br)c(C)n1 ZINC000082326415 187242791 /nfs/dbraw/zinc/24/27/91/187242791.db2.gz BXJQHNXHHVRGKZ-UHFFFAOYSA-N 0 0 201.067 2.110 10 0 BEAERN Cc1nn(Cc2ccccc2)c(Cl)c1CO ZINC000021952276 187243705 /nfs/dbraw/zinc/24/37/05/187243705.db2.gz DSOOWBZJKCMCKO-UHFFFAOYSA-N 0 0 236.702 2.386 10 0 BEAERN CC1(C)OC(=O)N(CCc2ccccc2)[C@@]1(C)O ZINC000000086151 187243990 /nfs/dbraw/zinc/24/39/90/187243990.db2.gz BWUKTKIATRPNJO-AWEZNQCLSA-N 0 0 249.310 2.168 10 0 BEAERN O=C1[C@H](c2ccccc2)CCN1CC1CC1 ZINC000165795205 343229189 /nfs/dbraw/zinc/22/91/89/343229189.db2.gz QOPXXEHQROHCNN-ZDUSSCGKSA-N 0 0 215.296 2.413 10 0 BEAERN CCCCOC[C@H](O)CSc1ccccn1 ZINC000032297950 343231573 /nfs/dbraw/zinc/23/15/73/343231573.db2.gz NNRGIPKAQUOVHP-NSHDSACASA-N 0 0 241.356 2.351 10 0 BEAERN CC[C@H](C)C(=O)Nc1cc(Cl)ncn1 ZINC000233996225 343236242 /nfs/dbraw/zinc/23/62/42/343236242.db2.gz PXJFGBSIUHVWSD-LURJTMIESA-N 0 0 213.668 2.115 10 0 BEAERN COC(=O)CCc1c[nH]nc1C1CCCC1 ZINC000260817887 343241842 /nfs/dbraw/zinc/24/18/42/343241842.db2.gz YBYQDLGCTRUAEL-UHFFFAOYSA-N 0 0 222.288 2.173 10 0 BEAERN Oc1cnc(OCC2CC2)c(Br)c1 ZINC000217045606 343247687 /nfs/dbraw/zinc/24/76/87/343247687.db2.gz LSDRDFKKVOUCSM-UHFFFAOYSA-N 0 0 244.088 2.339 10 0 BEAERN CC1CCC(=C2SC(=O)NC2=O)CC1 ZINC000238197670 343251214 /nfs/dbraw/zinc/25/12/14/343251214.db2.gz PWLADFMSFZPIQM-UHFFFAOYSA-N 0 0 211.286 2.434 10 0 BEAERN O=c1[nH]ccc2cc(OC(F)(F)F)ccc21 ZINC000033358959 343252242 /nfs/dbraw/zinc/25/22/42/343252242.db2.gz LAVPRKAUDVLKED-UHFFFAOYSA-N 0 0 229.157 2.427 10 0 BEAERN CCCNC(=O)[C@@H]1Cc2ccccc2[C@H]1C ZINC000238243126 343252612 /nfs/dbraw/zinc/25/26/12/343252612.db2.gz LYRLXNUZIGXUFO-ZWNOBZJWSA-N 0 0 217.312 2.489 10 0 BEAERN O=C(CN1CCCCC1)c1cccc(F)c1 ZINC000035020127 343283110 /nfs/dbraw/zinc/28/31/10/343283110.db2.gz SKMPCOWKGMSVJC-UHFFFAOYSA-N 0 0 221.275 2.494 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[N@H+](C)CC1CC1 ZINC000051361443 343256025 /nfs/dbraw/zinc/25/60/25/343256025.db2.gz MOWIQJDGAKWLIV-UHFFFAOYSA-N 0 0 223.272 2.128 10 0 BEAERN COC(=O)c1cc(CC(C)(C)C)nc(C)n1 ZINC000575622686 343261551 /nfs/dbraw/zinc/26/15/51/343261551.db2.gz PVAHNMYEZUVGCG-UHFFFAOYSA-N 0 0 222.288 2.160 10 0 BEAERN CCOC(=O)c1cc2c(nc1C)CCC2 ZINC000034295452 343267949 /nfs/dbraw/zinc/26/79/49/343267949.db2.gz SWNHREXLFJXHBQ-UHFFFAOYSA-N 0 0 205.257 2.055 10 0 BEAERN CC(C)(C)OC(=O)N1O[C@@H]2C=C[C@H]1CC2 ZINC000034547795 343274649 /nfs/dbraw/zinc/27/46/49/343274649.db2.gz KWICUYZLFNKYIA-DTWKUNHWSA-N 0 0 211.261 2.256 10 0 BEAERN CC(C)CO[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000019267839 187251518 /nfs/dbraw/zinc/25/15/18/187251518.db2.gz UQTSJVORLBCQOH-OLZOCXBDSA-N 0 0 221.300 2.120 10 0 BEAERN COc1cc(C)cc2c1OCCCC2=O ZINC000034974981 343282370 /nfs/dbraw/zinc/28/23/70/343282370.db2.gz PPLIQMSVGQMRQF-UHFFFAOYSA-N 0 0 206.241 2.359 10 0 BEAERN CC(C)[C@H](C)NC1N=NC(=S)S1 ZINC000020581420 187253979 /nfs/dbraw/zinc/25/39/79/187253979.db2.gz TUKJYDZVGOHVGF-YFKPBYRVSA-N 0 0 203.336 2.283 10 0 BEAERN Cc1cccc(C(=O)Nc2ccc(F)cc2N)n1 ZINC000022217796 187254596 /nfs/dbraw/zinc/25/45/96/187254596.db2.gz CRUFGHXWXNHUEI-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CC(C)C[C@@H]1NCCN(Cc2ccccc2)C1=O ZINC000027216126 187254662 /nfs/dbraw/zinc/25/46/62/187254662.db2.gz ACYXOIGSQZBGFG-AWEZNQCLSA-N 0 0 246.354 2.033 10 0 BEAERN CC1CCN(c2nc3sccn3c2C=O)CC1 ZINC000022160051 187254814 /nfs/dbraw/zinc/25/48/14/187254814.db2.gz WYNGOQDGVUAMJE-UHFFFAOYSA-N 0 0 249.339 2.445 10 0 BEAERN CC(C)(C)n1nc(-c2ccco2)cc1N ZINC000035542176 343297796 /nfs/dbraw/zinc/29/77/96/343297796.db2.gz KQMKRDKRCMJLJF-UHFFFAOYSA-N 0 0 205.261 2.480 10 0 BEAERN Cc1nc(Cc2ncc(C=O)s2)cs1 ZINC000055296383 343305283 /nfs/dbraw/zinc/30/52/83/343305283.db2.gz SOQUCTZNNRSMHA-UHFFFAOYSA-N 0 0 224.310 2.311 10 0 BEAERN Cc1nc(N2CCCC2)c2ccc(=O)cc-2[nH]1 ZINC000035962831 343305631 /nfs/dbraw/zinc/30/56/31/343305631.db2.gz YVUVUPKOIJLZHD-UHFFFAOYSA-N 0 0 229.283 2.244 10 0 BEAERN CC(=O)Nc1ccccc1Nn1cccc1 ZINC000022000641 187253792 /nfs/dbraw/zinc/25/37/92/187253792.db2.gz FNSKMEJBZOKICD-UHFFFAOYSA-N 0 0 215.256 2.322 10 0 BEAERN Cc1ncsc1-c1nnc(Cl)o1 ZINC000157776338 343366130 /nfs/dbraw/zinc/36/61/30/343366130.db2.gz BUFBBDJCQLEDNR-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CCc1cnc(NCc2ncc[nH]2)s1 ZINC000134993963 343366291 /nfs/dbraw/zinc/36/62/91/343366291.db2.gz RLTAORRYVLHURC-UHFFFAOYSA-N 0 0 208.290 2.041 10 0 BEAERN Cn1cc(-c2ccc(C=O)c(F)c2)cn1 ZINC000038071848 343369187 /nfs/dbraw/zinc/36/91/87/343369187.db2.gz ZXKSFQWPPNSCOS-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@@H]2O ZINC000038526308 343376063 /nfs/dbraw/zinc/37/60/63/343376063.db2.gz MRMYRYLVMIZVQM-VWYCJHECSA-N 0 0 241.331 2.157 10 0 BEAERN CCc1cc(=O)c2cc(OCCF)ccc2[nH]1 ZINC000038590031 343377297 /nfs/dbraw/zinc/37/72/97/343377297.db2.gz QJQIMZREIUWFLW-UHFFFAOYSA-N 0 0 235.258 2.439 10 0 BEAERN COc1ccc(OC[C@@H]2C=C[C@H](C)O2)cc1 ZINC000039110243 187255501 /nfs/dbraw/zinc/25/55/01/187255501.db2.gz HKETZONPXPFREM-GWCFXTLKSA-N 0 0 220.268 2.418 10 0 BEAERN Cn1cc(NC[C@H]2C[C@@H]3C=C[C@H]2C3)cn1 ZINC000037259894 343341818 /nfs/dbraw/zinc/34/18/18/343341818.db2.gz WWRJZSGRADKFCO-OUAUKWLOSA-N 0 0 203.289 2.044 10 0 BEAERN COC(=O)Nc1ncc(Br)s1 ZINC000037437299 343345487 /nfs/dbraw/zinc/34/54/87/343345487.db2.gz AILBSSZSXXMLKV-UHFFFAOYSA-N 0 0 237.078 2.084 10 0 BEAERN CCN(CC)Cn1sc2ccccc2c1=O ZINC000038634986 343378101 /nfs/dbraw/zinc/37/81/01/343378101.db2.gz AHUSTNSWINPTNT-UHFFFAOYSA-N 0 0 236.340 2.362 10 0 BEAERN CC(C)CSc1cc2nc[nH]c(=O)c2cc1N ZINC000035383499 187257963 /nfs/dbraw/zinc/25/79/63/187257963.db2.gz PFAAEVIARZPSOG-UHFFFAOYSA-N 0 0 249.339 2.253 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(F)c(C(N)=O)c1 ZINC000037021506 187259617 /nfs/dbraw/zinc/25/96/17/187259617.db2.gz NFHYOXQFITYIHX-QMMMGPOBSA-N 0 0 224.279 2.381 10 0 BEAERN CC(C)(CO)NC(=O)c1cccc2ccccc21 ZINC000035103093 187257370 /nfs/dbraw/zinc/25/73/70/187257370.db2.gz BDPQTBWZSOTQPE-UHFFFAOYSA-N 0 0 243.306 2.341 10 0 BEAERN Cc1cc(CN(C)C(=O)OC(C)(C)C)n(C)n1 ZINC000147868952 343381218 /nfs/dbraw/zinc/38/12/18/343381218.db2.gz QYGFLJOCYNJJKN-UHFFFAOYSA-N 0 0 239.319 2.095 10 0 BEAERN CCOc1cc(C)c(O)cc1NC(C)=O ZINC000039099652 343383001 /nfs/dbraw/zinc/38/30/01/343383001.db2.gz PCRIERIVEOHWIV-UHFFFAOYSA-N 0 0 209.245 2.058 10 0 BEAERN CCOc1n[nH]c(-c2ccncc2)c1C ZINC000039099241 343383082 /nfs/dbraw/zinc/38/30/82/343383082.db2.gz XCLRSKGDTYEGKC-UHFFFAOYSA-N 0 0 203.245 2.179 10 0 BEAERN CCOc1ccc(N)c(-c2ncco2)c1 ZINC000039099270 343383191 /nfs/dbraw/zinc/38/31/91/343383191.db2.gz SMRAGYNFGUQGQL-UHFFFAOYSA-N 0 0 204.229 2.323 10 0 BEAERN CCOc1nn2ccnc2c2ccccc21 ZINC000039100019 343383596 /nfs/dbraw/zinc/38/35/96/343383596.db2.gz VOZMGUFRRZRVFB-UHFFFAOYSA-N 0 0 213.240 2.281 10 0 BEAERN CC[C@H]1C(=O)Nc2cc(C(C)(C)C)nn21 ZINC000039101202 343383896 /nfs/dbraw/zinc/38/38/96/343383896.db2.gz YHWLFLJLNASPAH-ZETCQYMHSA-N 0 0 207.277 2.084 10 0 BEAERN Cc1cccc(-c2ccc(N)cc2O)n1 ZINC000039104946 343384318 /nfs/dbraw/zinc/38/43/18/343384318.db2.gz CZWQLMHRFFCBHT-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN C[C@@]1(c2ccccc2)NC(=S)C(=O)S1 ZINC000039110631 343385417 /nfs/dbraw/zinc/38/54/17/343385417.db2.gz CERZGWBCZXUJER-SNVBAGLBSA-N 0 0 223.322 2.461 10 0 BEAERN O=C(Nc1cncc(F)c1)N1C[C@@H]2CCC[C@H]21 ZINC000335687501 136323678 /nfs/dbraw/zinc/32/36/78/136323678.db2.gz BLPPWLIADKUQTD-GZMMTYOYSA-N 0 0 235.262 2.237 10 0 BEAERN Clc1nc2[nH]cnc2cc1Br ZINC000039285043 343388239 /nfs/dbraw/zinc/38/82/39/343388239.db2.gz YFPJFGMOCWFLNO-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN O=C(Nc1cncc(F)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000335687503 136323884 /nfs/dbraw/zinc/32/38/84/136323884.db2.gz BLPPWLIADKUQTD-KWQFWETISA-N 0 0 235.262 2.237 10 0 BEAERN CCCCC1(CCCC)NC(=N)N(CC)C1=O ZINC000148702442 343394903 /nfs/dbraw/zinc/39/49/03/343394903.db2.gz KDWSHNIAECIQAY-UHFFFAOYSA-N 0 0 239.363 2.492 10 0 BEAERN COC(=O)C(C/C=C/Cl)(C(=O)OC)C(C)C ZINC000040435188 343403211 /nfs/dbraw/zinc/40/32/11/343403211.db2.gz SPXNFVXNCZHDPB-FNORWQNLSA-N 0 0 248.706 2.117 10 0 BEAERN Cc1ccc(-c2cc(O)cc(=O)[nH]2)cc1 ZINC000038866700 343407810 /nfs/dbraw/zinc/40/78/10/343407810.db2.gz NQCZRFDBNYFKID-UHFFFAOYSA-N 0 0 201.225 2.056 10 0 BEAERN CC(=O)CC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000037839277 187260837 /nfs/dbraw/zinc/26/08/37/187260837.db2.gz NDLIVCKOHXHTIB-LBPRGKRZSA-N 0 0 233.311 2.494 10 0 BEAERN CC[C@H]1OCC[C@H]1c1nnc(Br)o1 ZINC000234125889 343424497 /nfs/dbraw/zinc/42/44/97/343424497.db2.gz HRPCLLGLENCLHL-PHDIDXHHSA-N 0 0 247.092 2.115 10 0 BEAERN Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 ZINC000149114787 343421390 /nfs/dbraw/zinc/42/13/90/343421390.db2.gz DPKJUZLUTYDOHF-UHFFFAOYSA-N 0 0 238.250 2.381 10 0 BEAERN CCCS(=O)(=O)N[C@@H]1CCC12CCCC2 ZINC000335731077 136348590 /nfs/dbraw/zinc/34/85/90/136348590.db2.gz AAZHYYODANGEAZ-SNVBAGLBSA-N 0 0 231.361 2.039 10 0 BEAERN CCN(C(=O)N1C[C@H]2CCC[C@H]21)C(C)C ZINC000335729890 136348722 /nfs/dbraw/zinc/34/87/22/136348722.db2.gz CQYUGNSCHLYGNC-GHMZBOCLSA-N 0 0 210.321 2.321 10 0 BEAERN C[C@H]1CCC(=O)N1Cc1ccccc1F ZINC000202500517 343429621 /nfs/dbraw/zinc/42/96/21/343429621.db2.gz AGCIOBFLHWLMTF-VIFPVBQESA-N 0 0 207.248 2.337 10 0 BEAERN CCCc1nc(C=O)c(Cl)c(N)c1F ZINC000149543924 343430556 /nfs/dbraw/zinc/43/05/56/343430556.db2.gz APLHNJCTVSJQQB-UHFFFAOYSA-N 0 0 216.643 2.221 10 0 BEAERN COC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000042304052 343434034 /nfs/dbraw/zinc/43/40/34/343434034.db2.gz OKVUMHIVYPPVSI-HTQZYQBOSA-N 0 0 243.253 2.177 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOC(C)(C)C1 ZINC000335716689 136339588 /nfs/dbraw/zinc/33/95/88/136339588.db2.gz KPOLBHZHBJKSOW-GHMZBOCLSA-N 0 0 225.332 2.060 10 0 BEAERN O=C(c1n[nH]c2ccccc21)N1C[C@@H]2CCC[C@H]21 ZINC000349350919 136342503 /nfs/dbraw/zinc/34/25/03/136342503.db2.gz PPASWMJMUHJBQZ-JOYOIKCWSA-N 0 0 241.294 2.187 10 0 BEAERN OCCSCCCOCCc1ccccc1 ZINC000149801525 343450063 /nfs/dbraw/zinc/45/00/63/343450063.db2.gz IFQRAZWKYPEMIW-UHFFFAOYSA-N 0 0 240.368 2.361 10 0 BEAERN CCCC[C@@]1(O)OC(=O)C2=C1CCC=C2 ZINC000013380496 362244520 /nfs/dbraw/zinc/24/45/20/362244520.db2.gz JGIFAEPLZJPSHA-GFCCVEGCSA-N 0 0 208.257 2.069 10 0 BEAERN CC(C)[C@@](C)(Nc1cccc(F)c1)C(N)=O ZINC000037944943 187261674 /nfs/dbraw/zinc/26/16/74/187261674.db2.gz NXLOITDKXVIGBD-GFCCVEGCSA-N 0 0 224.279 2.138 10 0 BEAERN Cc1ccc(C(=O)Nc2ccccn2)c(C)n1 ZINC000048385185 136372843 /nfs/dbraw/zinc/37/28/43/136372843.db2.gz DOPWXASPMIMKGV-UHFFFAOYSA-N 0 0 227.267 2.346 10 0 BEAERN C[C@H](C[NH2+]CC1CCCCC1)CC(=O)[O-] ZINC000258861022 136373981 /nfs/dbraw/zinc/37/39/81/136373981.db2.gz JZSSKQVMSUAEHY-JTQLQIEISA-N 0 0 213.321 2.267 10 0 BEAERN COc1cc(Cl)nn2c(C)c(C)nc12 ZINC000149940635 343461717 /nfs/dbraw/zinc/46/17/17/343461717.db2.gz QFBNIYPYHTTWPP-UHFFFAOYSA-N 0 0 211.652 2.008 10 0 BEAERN CC(C)[C@@](C)(Nc1ccccc1F)C(N)=O ZINC000037945355 187262092 /nfs/dbraw/zinc/26/20/92/187262092.db2.gz QWXVYCKOMCHTLM-GFCCVEGCSA-N 0 0 224.279 2.138 10 0 BEAERN CCCC1CC2(C1)CC(C(CO)CO)C2 ZINC000202759974 343463185 /nfs/dbraw/zinc/46/31/85/343463185.db2.gz BFMIYUZBEBMLSC-UHFFFAOYSA-N 0 0 212.333 2.194 10 0 BEAERN CCc1cc(=S)[nH]c([C@@H]2CCCO2)n1 ZINC000234160023 343505522 /nfs/dbraw/zinc/50/55/22/343505522.db2.gz LRPQTTRUFWMZEP-QMMMGPOBSA-N 0 0 210.302 2.179 10 0 BEAERN Cc1ccc(/C=C/C(=O)NCc2cn[nH]c2)cc1 ZINC000038006813 187262323 /nfs/dbraw/zinc/26/23/23/187262323.db2.gz GMYPITIWOFDUEH-VOTSOKGWSA-N 0 0 241.294 2.048 10 0 BEAERN C[C@@H]1CC=C(Br)C12OCCO2 ZINC000039076047 187262614 /nfs/dbraw/zinc/26/26/14/187262614.db2.gz DZINRPUBDXIJNK-ZCFIWIBFSA-N 0 0 219.078 2.048 10 0 BEAERN COC(=O)N1CCC[C@H](C(F)(F)F)CC1 ZINC000616630717 343527301 /nfs/dbraw/zinc/52/73/01/343527301.db2.gz WIPOYTYFBKFMKR-ZETCQYMHSA-N 0 0 225.210 2.417 10 0 BEAERN CC(=O)N1CCCOC[C@H]1c1ccc(F)cc1 ZINC000616648368 343529921 /nfs/dbraw/zinc/52/99/21/343529921.db2.gz KNKIQOPKJGWASA-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN C[N@@H+]1CCCO[C@H](c2ccc(F)cc2)C1 ZINC000616650872 343530838 /nfs/dbraw/zinc/53/08/38/343530838.db2.gz IAJNNYFDADHSQB-LBPRGKRZSA-N 0 0 209.264 2.219 10 0 BEAERN COC(=O)[C@@H](C)c1cc(F)c([N+](=O)[O-])cc1F ZINC000203451634 343530973 /nfs/dbraw/zinc/53/09/73/343530973.db2.gz DXZJRVWSKLTNPE-YFKPBYRVSA-N 0 0 245.181 2.150 10 0 BEAERN CCN1c2ccccc2CC[C@H]1c1c[nH]nc1N ZINC000616670447 343535017 /nfs/dbraw/zinc/53/50/17/343535017.db2.gz PVSJOTWRIKFKCC-ZDUSSCGKSA-N 0 0 242.326 2.336 10 0 BEAERN CN1CC[C@@H](n2cccn2)c2ccccc21 ZINC000616670808 343535043 /nfs/dbraw/zinc/53/50/43/343535043.db2.gz BVZIIXMOZQHBJZ-CYBMUJFWSA-N 0 0 213.284 2.312 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693650 343538938 /nfs/dbraw/zinc/53/89/38/343538938.db2.gz LCSRMTWZHAIFHQ-CKYFFXLPSA-N 0 0 213.321 2.074 10 0 BEAERN Nc1cc(-c2ccccc2)c(O)cc1O ZINC000039119066 187263673 /nfs/dbraw/zinc/26/36/73/187263673.db2.gz MWNXDNQZJYRGQX-UHFFFAOYSA-N 0 0 201.225 2.347 10 0 BEAERN CC(C)c1noc(COc2ccc(O)cc2)n1 ZINC000049338521 343596257 /nfs/dbraw/zinc/59/62/57/343596257.db2.gz GEYPHWTUZPSWHP-UHFFFAOYSA-N 0 0 234.255 2.478 10 0 BEAERN COC(=O)[C@@H](C)Nc1ccc(C)cc1F ZINC000043626719 343617814 /nfs/dbraw/zinc/61/78/14/343617814.db2.gz RUPBSWSJFXGMOT-MRVPVSSYSA-N 0 0 211.236 2.108 10 0 BEAERN Cc1cc(Br)ccc1[C@@H](C)NN ZINC000127149344 343620094 /nfs/dbraw/zinc/62/00/94/343620094.db2.gz ZVYBWTCCUAJVEY-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN CCc1nn2c(c1Br)N[C@H](C)CC2 ZINC000234185813 343620540 /nfs/dbraw/zinc/62/05/40/343620540.db2.gz ULUOBMGCHGOLMB-ZCFIWIBFSA-N 0 0 244.136 2.412 10 0 BEAERN CCOc1cccc(NCc2nccn2C)c1 ZINC000049565962 343603320 /nfs/dbraw/zinc/60/33/20/343603320.db2.gz XQNHEJIODAJZJD-UHFFFAOYSA-N 0 0 231.299 2.431 10 0 BEAERN CO[C@@H](C)c1ncc(Br)c(=S)[nH]1 ZINC000234741731 343648453 /nfs/dbraw/zinc/64/84/53/343648453.db2.gz TUYUQCTZVLHCLL-BYPYZUCNSA-N 0 0 249.133 2.235 10 0 BEAERN C[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000196301271 343630373 /nfs/dbraw/zinc/63/03/73/343630373.db2.gz DZRFOKQUFQQYNV-ZETCQYMHSA-N 0 0 223.659 2.239 10 0 BEAERN Clc1ncnc2c1nc1n2CCCCC1 ZINC000006724639 349828230 /nfs/dbraw/zinc/82/82/30/349828230.db2.gz IVJINWYKSWDKET-UHFFFAOYSA-N 0 0 222.679 2.206 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000379926471 343655660 /nfs/dbraw/zinc/65/56/60/343655660.db2.gz LQYDGQPLLUXVCA-RNFRBKRXSA-N 0 0 228.273 2.246 10 0 BEAERN C1=NCCN1c1nc2ccccc2s1 ZINC000045236215 187269554 /nfs/dbraw/zinc/26/95/54/187269554.db2.gz NIVMWLKCHYXWCY-UHFFFAOYSA-N 0 0 203.270 2.145 10 0 BEAERN COc1ccc([C@@](C)(O)c2cncc(F)c2)cc1 ZINC000049576973 187270591 /nfs/dbraw/zinc/27/05/91/187270591.db2.gz QKAYHDVXBXQLIW-CQSZACIVSA-N 0 0 247.269 2.485 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@H](C)[C@H]2C ZINC000300022960 537802892 /nfs/dbraw/zinc/80/28/92/537802892.db2.gz BYNXMEHCICKOBH-OEIWMXHLSA-N 0 0 232.707 2.320 10 0 BEAERN Brc1cccc2c1NCCO2 ZINC000107154724 343710503 /nfs/dbraw/zinc/71/05/03/343710503.db2.gz BIGYOTCGUIPBKO-UHFFFAOYSA-N 0 0 214.062 2.253 10 0 BEAERN CCc1cccc(CC)c1NCC(=O)N(C)C ZINC000051787614 187271145 /nfs/dbraw/zinc/27/11/45/187271145.db2.gz QHWAGCZVODCLJT-UHFFFAOYSA-N 0 0 234.343 2.312 10 0 BEAERN Cc1ccc(Cc2nsc(N)n2)cc1 ZINC000051752630 187271347 /nfs/dbraw/zinc/27/13/47/187271347.db2.gz DQWLJKQVLWAJMV-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN CC(C)Cn1cc(C=O)c(-c2cccnc2)n1 ZINC000036905583 343779673 /nfs/dbraw/zinc/77/96/73/343779673.db2.gz GUKYLWKQSPODLM-UHFFFAOYSA-N 0 0 229.283 2.414 10 0 BEAERN Fc1ccc(F)c([C@@H]2NCCS2)c1 ZINC000050522888 343782839 /nfs/dbraw/zinc/78/28/39/343782839.db2.gz SCKGWYLNRADUMP-SECBINFHSA-N 0 0 201.241 2.300 10 0 BEAERN CC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000037677414 343783088 /nfs/dbraw/zinc/78/30/88/343783088.db2.gz XFXULIOSFVWJMY-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN Clc1ccc(NCCc2cccnc2)nn1 ZINC000037718601 343783386 /nfs/dbraw/zinc/78/33/86/343783386.db2.gz KXGNXRYJORSOHZ-UHFFFAOYSA-N 0 0 234.690 2.180 10 0 BEAERN O=c1cc(Cc2ccc(F)cc2)[nH]c(=S)[nH]1 ZINC000038953751 343783508 /nfs/dbraw/zinc/78/35/08/343783508.db2.gz HNDBRQOYNDQUTO-UHFFFAOYSA-N 0 0 236.271 2.162 10 0 BEAERN CC(C)Cn1c2ccc(N)cc2nc1[C@H](C)O ZINC000053735765 187272608 /nfs/dbraw/zinc/27/26/08/187272608.db2.gz KBMMFLSZFFGBEA-VIFPVBQESA-N 0 0 233.315 2.328 10 0 BEAERN Cc1ccc(-c2cc(N)nc(C)n2)cc1F ZINC000123151365 343786711 /nfs/dbraw/zinc/78/67/11/343786711.db2.gz SALMZWYUAUGUMF-UHFFFAOYSA-N 0 0 217.247 2.482 10 0 BEAERN Clc1cc(N2C[C@@H]3CCC[C@@H]3C2)ncn1 ZINC000126401382 343786789 /nfs/dbraw/zinc/78/67/89/343786789.db2.gz BJOHMLBWHXRDQP-DTORHVGOSA-N 0 0 223.707 2.366 10 0 BEAERN Clc1nccc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000132126405 343788423 /nfs/dbraw/zinc/78/84/23/343788423.db2.gz ZIUQZEALAWEPEL-DTORHVGOSA-N 0 0 223.707 2.366 10 0 BEAERN CC(C)Cn1cc(CO)c(C(F)(F)F)n1 ZINC000149832120 343788911 /nfs/dbraw/zinc/78/89/11/343788911.db2.gz IDYIWJFJVIWGQB-UHFFFAOYSA-N 0 0 222.210 2.050 10 0 BEAERN CC(=O)CCN1c2ccccc2C[C@@H]1C ZINC000057491876 187272960 /nfs/dbraw/zinc/27/29/60/187272960.db2.gz IAIKIAHNDJSTGX-JTQLQIEISA-N 0 0 203.285 2.417 10 0 BEAERN Cn1nc(C(F)(F)F)c2c1CCSC2 ZINC000221297393 343792886 /nfs/dbraw/zinc/79/28/86/343792886.db2.gz OJOGSVQOCOUFAO-UHFFFAOYSA-N 0 0 222.235 2.228 10 0 BEAERN O=C1C[C@H](c2cc(F)ccc2F)SCCN1 ZINC000231562072 343794182 /nfs/dbraw/zinc/79/41/82/343794182.db2.gz XYRHVWMMLIQAFA-SNVBAGLBSA-N 0 0 243.278 2.259 10 0 BEAERN Nc1cnc2cc(-c3ccsc3)nn2c1 ZINC000231566028 343794312 /nfs/dbraw/zinc/79/43/12/343794312.db2.gz ZYYOOSYIHHHAOU-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN Cn1cc(-c2ccc(F)cc2C=O)cn1 ZINC000236101401 343795317 /nfs/dbraw/zinc/79/53/17/343795317.db2.gz PRBGGTFALLCDMS-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN O=Cc1cn(Cc2ccc(F)c(F)c2)cn1 ZINC000236226871 343795538 /nfs/dbraw/zinc/79/55/38/343795538.db2.gz NHLNDHGYVURVGN-UHFFFAOYSA-N 0 0 222.194 2.022 10 0 BEAERN Cc1nc(Cl)cc(C2CCOCC2)n1 ZINC000238521131 343795875 /nfs/dbraw/zinc/79/58/75/343795875.db2.gz LDPNJYKSEJDREQ-UHFFFAOYSA-N 0 0 212.680 2.332 10 0 BEAERN O=Cc1cc2n(n1)C[C@H](c1cccs1)OC2 ZINC000409426579 343798311 /nfs/dbraw/zinc/79/83/11/343798311.db2.gz FPUBMMGMQNEBEM-SNVBAGLBSA-N 0 0 234.280 2.029 10 0 BEAERN O=Cc1cc2n(n1)C[C@@H](c1cccs1)OC2 ZINC000409426577 343798319 /nfs/dbraw/zinc/79/83/19/343798319.db2.gz FPUBMMGMQNEBEM-JTQLQIEISA-N 0 0 234.280 2.029 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@H]2CC(=O)C[C@H](C2)C1 ZINC000064034440 187273603 /nfs/dbraw/zinc/27/36/03/187273603.db2.gz KJQIEALHEWUCMM-AOOOYVTPSA-N 0 0 239.315 2.223 10 0 BEAERN CCOC[C@H]1CCCN1c1cc(Cl)ncn1 ZINC000409427553 343801220 /nfs/dbraw/zinc/80/12/20/343801220.db2.gz KVYBJOLZPCJXQJ-SECBINFHSA-N 0 0 241.722 2.135 10 0 BEAERN C[C@H]1C[C@@H](n2cc(CO)nn2)CC(C)(C)C1 ZINC000409422320 343813422 /nfs/dbraw/zinc/81/34/22/343813422.db2.gz CLXWPXUJXFBJJU-GXSJLCMTSA-N 0 0 223.320 2.158 10 0 BEAERN Cc1cc([C@H](NN)c2cccs2)co1 ZINC000128588174 349868313 /nfs/dbraw/zinc/86/83/13/349868313.db2.gz KYXXJPDSCPOQLZ-JTQLQIEISA-N 0 0 208.286 2.202 10 0 BEAERN Cc1cc([C@@H](NN)c2cccs2)co1 ZINC000128588428 349868341 /nfs/dbraw/zinc/86/83/41/349868341.db2.gz KYXXJPDSCPOQLZ-SNVBAGLBSA-N 0 0 208.286 2.202 10 0 BEAERN CON(C)c1cc(Br)c(F)cc1N ZINC000159029212 346980485 /nfs/dbraw/zinc/98/04/85/346980485.db2.gz MSJRNDNSXQDRRK-UHFFFAOYSA-N 0 0 249.083 2.168 10 0 BEAERN O=C([O-])C1CCC([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC000409423175 343814845 /nfs/dbraw/zinc/81/48/45/343814845.db2.gz LUDRXVPRPNOXEU-HSOILSAZSA-N 0 0 229.295 2.064 10 0 BEAERN CCOC[C@H]1CCN(c2ccccc2N)C1 ZINC000409424044 343816769 /nfs/dbraw/zinc/81/67/69/343816769.db2.gz AZZFTKDABXCNAK-NSHDSACASA-N 0 0 220.316 2.132 10 0 BEAERN COc1ccc(Cc2cc(=O)[nH]c(=S)[nH]2)cc1 ZINC000409425821 343820225 /nfs/dbraw/zinc/82/02/25/343820225.db2.gz BUIOWXFADQUFGE-UHFFFAOYSA-N 0 0 248.307 2.070 10 0 BEAERN C[C@@H](c1ccccc1)c1cc(=O)[nH]cn1 ZINC000409431566 343823883 /nfs/dbraw/zinc/82/38/83/343823883.db2.gz RFUQYHXUTMHSBF-VIFPVBQESA-N 0 0 200.241 2.334 10 0 BEAERN C/C(=C\c1ccc(Br)cn1)CO ZINC000393323564 343826498 /nfs/dbraw/zinc/82/64/98/343826498.db2.gz SBTKAIZJESRLEU-QPJJXVBHSA-N 0 0 228.089 2.240 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409433137 343826662 /nfs/dbraw/zinc/82/66/62/343826662.db2.gz XOKWTEVRYDTKAW-IVZWLZJFSA-N 0 0 247.285 2.217 10 0 BEAERN C[C@H]1CCC[C@@H](Nc2ncc(N)cn2)C1 ZINC000040455630 187275624 /nfs/dbraw/zinc/27/56/24/187275624.db2.gz BFYGCAVHOXTVAY-WCBMZHEXSA-N 0 0 206.293 2.049 10 0 BEAERN COc1cccc(Cc2cc(=O)[nH]c(C)n2)c1 ZINC000409429076 343804603 /nfs/dbraw/zinc/80/46/03/343804603.db2.gz HSYOLALCNVCFQG-UHFFFAOYSA-N 0 0 230.267 2.090 10 0 BEAERN CSc1nc(-c2cncc(F)c2)cc(=O)[nH]1 ZINC000409430137 343807722 /nfs/dbraw/zinc/80/77/22/343807722.db2.gz LKGMXUXVQVWDNP-UHFFFAOYSA-N 0 0 237.259 2.105 10 0 BEAERN CCOC(=O)c1cnn(CC2CC(F)(F)C2)c1 ZINC000383068798 343809812 /nfs/dbraw/zinc/80/98/12/343809812.db2.gz QGZJLRBKVWGOIG-UHFFFAOYSA-N 0 0 244.241 2.105 10 0 BEAERN Cc1noc(C)c1-c1cncc(C=O)c1 ZINC000238529496 537819905 /nfs/dbraw/zinc/81/99/05/537819905.db2.gz ADRSYLMWJGGODP-UHFFFAOYSA-N 0 0 202.213 2.166 10 0 BEAERN N=C(NO)[C@@H](c1ccccc1)n1cccc1 ZINC000409442168 343857411 /nfs/dbraw/zinc/85/74/11/343857411.db2.gz TWPFRTQDBZJNMQ-LLVKDONJSA-N 0 0 215.256 2.034 10 0 BEAERN COC(=O)c1c(C2CCC2)n[nH]c1C1CC1 ZINC000409440995 343854562 /nfs/dbraw/zinc/85/45/62/343854562.db2.gz OZPLFVBRFFOJEG-UHFFFAOYSA-N 0 0 220.272 2.341 10 0 BEAERN CC(C)[C@@]1([NH2+]Cc2ccccc2)CCCNC1=O ZINC000071973775 187277029 /nfs/dbraw/zinc/27/70/29/187277029.db2.gz PZYJFMSZSNSGGE-HNNXBMFYSA-N 0 0 246.354 2.081 10 0 BEAERN NC(=S)NNc1cc(Cl)ccc1Cl ZINC000071546901 187275912 /nfs/dbraw/zinc/27/59/12/187275912.db2.gz PDHGKWDZUMYBQJ-UHFFFAOYSA-N 0 0 236.127 2.154 10 0 BEAERN CC[C@](C)(OC)c1nccc(Cl)n1 ZINC000159250221 349873967 /nfs/dbraw/zinc/87/39/67/349873967.db2.gz OYOCVWCCANFEEV-VIFPVBQESA-N 0 0 200.669 2.402 10 0 BEAERN C[N@H+]([C@@H]1CCSC1)C1CCC(C(=O)[O-])CC1 ZINC000409434398 343831454 /nfs/dbraw/zinc/83/14/54/343831454.db2.gz OZZXLKBKXQTDLF-VQXHTEKXSA-N 0 0 243.372 2.067 10 0 BEAERN C/C=C/C(=O)OCC(F)(F)C(F)F ZINC000072265741 187276144 /nfs/dbraw/zinc/27/61/44/187276144.db2.gz BNMLMDYKLCGBCC-NSCUHMNNSA-N 0 0 200.131 2.006 10 0 BEAERN Clc1nc(SC[C@@H]2CCCO2)ns1 ZINC000071980756 187276369 /nfs/dbraw/zinc/27/63/69/187276369.db2.gz WCIKRYXXRJVHFD-YFKPBYRVSA-N 0 0 236.749 2.463 10 0 BEAERN CC(C)n1c(=O)[nH]c(=S)cc1-c1ccncc1 ZINC000409437651 343843247 /nfs/dbraw/zinc/84/32/47/343843247.db2.gz IBJPFEDHYBYQIE-UHFFFAOYSA-N 0 0 247.323 2.175 10 0 BEAERN CNc1cc(N2[C@@H](C)CCC[C@@H]2C)ncn1 ZINC000409438403 343843660 /nfs/dbraw/zinc/84/36/60/343843660.db2.gz MPMDXUDCKUMFEH-UWVGGRQHSA-N 0 0 220.320 2.286 10 0 BEAERN Brc1nccc(C2CCOCC2)n1 ZINC000072193082 187276672 /nfs/dbraw/zinc/27/66/72/187276672.db2.gz NEOATTNLPFDLAQ-UHFFFAOYSA-N 0 0 243.104 2.133 10 0 BEAERN Cc1nn(C)c2c1[C@@H](CO)C[C@@H](C(C)(C)C)N2 ZINC000409438557 343844911 /nfs/dbraw/zinc/84/49/11/343844911.db2.gz DAEMVKNOWWFJHC-ZJUUUORDSA-N 0 0 237.347 2.035 10 0 BEAERN O=Cc1c(C2CCC2)n[nH]c1C1CCOCC1 ZINC000409438743 343845507 /nfs/dbraw/zinc/84/55/07/343845507.db2.gz FMENYKVXDQHVJF-UHFFFAOYSA-N 0 0 234.299 2.384 10 0 BEAERN CCc1[nH]nc(-c2ccsc2)c1CCC(N)=O ZINC000409439083 343846354 /nfs/dbraw/zinc/84/63/54/343846354.db2.gz GSKCAEKRXYMEBZ-UHFFFAOYSA-N 0 0 249.339 2.119 10 0 BEAERN CC(C)(C)c1cc(=O)n(C[C@H]2CCCC[NH2+]2)[n-]1 ZINC000409439030 343846431 /nfs/dbraw/zinc/84/64/31/343846431.db2.gz NSHFEECRXURRRL-SNVBAGLBSA-N 0 0 237.347 2.028 10 0 BEAERN COC(=O)c1c(C(F)(F)F)n[nH]c1C1CC1 ZINC000409439524 343847536 /nfs/dbraw/zinc/84/75/36/343847536.db2.gz IUKUFEWYUQZASV-UHFFFAOYSA-N 0 0 234.177 2.093 10 0 BEAERN CC(C)Cn1nc(-c2ccncc2)cc1N ZINC000409437836 343848962 /nfs/dbraw/zinc/84/89/62/343848962.db2.gz JFDCHKXXERKOGK-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN O=c1cc(-c2cccs2)n(CC2CC2)c(=O)[nH]1 ZINC000409437990 343849413 /nfs/dbraw/zinc/84/94/13/343849413.db2.gz JWJSWKXTBJIITF-UHFFFAOYSA-N 0 0 248.307 2.087 10 0 BEAERN OCCn1nc(-c2cccs2)cc1C1CC1 ZINC000409437876 343849483 /nfs/dbraw/zinc/84/94/83/343849483.db2.gz ATIYZDVNKFKRKY-UHFFFAOYSA-N 0 0 234.324 2.481 10 0 BEAERN OCCc1c(C2CC2)[nH]nc1C1CCC1 ZINC000409438281 343850341 /nfs/dbraw/zinc/85/03/41/343850341.db2.gz CDXLXKFQIIINQA-UHFFFAOYSA-N 0 0 206.289 2.089 10 0 BEAERN O=Cc1cn(CC2CC2)nc1-c1cccnc1 ZINC000409440148 343850734 /nfs/dbraw/zinc/85/07/34/343850734.db2.gz SEFITWWYTCZGNI-UHFFFAOYSA-N 0 0 227.267 2.168 10 0 BEAERN Cn1nc(-c2ccccc2)c2c1CCOC2 ZINC000409440416 343851921 /nfs/dbraw/zinc/85/19/21/343851921.db2.gz SYPWICCWGIUMFX-UHFFFAOYSA-N 0 0 214.268 2.160 10 0 BEAERN CCCn1c(=O)[nH]c(=O)cc1-c1ccsc1 ZINC000409440759 343852399 /nfs/dbraw/zinc/85/23/99/343852399.db2.gz ZBNJLIUAIFRZOC-UHFFFAOYSA-N 0 0 236.296 2.087 10 0 BEAERN CC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1 ZINC000071973179 187276937 /nfs/dbraw/zinc/27/69/37/187276937.db2.gz WUHSVZXHYBMMIK-CYBMUJFWSA-N 0 0 233.311 2.420 10 0 BEAERN Cc1ccc(Br)cc1[C@H](C)NN ZINC000127169407 343885560 /nfs/dbraw/zinc/88/55/60/343885560.db2.gz IDGPMVDAKVFGHP-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN CC(C)Cn1nc(-c2ccncc2)cc1CO ZINC000409442869 343865270 /nfs/dbraw/zinc/86/52/70/343865270.db2.gz CGTYMJVIVZFPIJ-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN CCn1nc(-c2ccsc2)cc1C(=O)OC ZINC000409443079 343865570 /nfs/dbraw/zinc/86/55/70/343865570.db2.gz GPBDNRJTFTUESF-UHFFFAOYSA-N 0 0 236.296 2.418 10 0 BEAERN CC(C)n1nc(-c2ccccc2)cc1C(N)=O ZINC000409443162 343866231 /nfs/dbraw/zinc/86/62/31/343866231.db2.gz IAQYMXZXZHIWAX-UHFFFAOYSA-N 0 0 229.283 2.230 10 0 BEAERN O=C1NCc2cc(Cl)c3cccnc3c2O1 ZINC000409443387 343867201 /nfs/dbraw/zinc/86/72/01/343867201.db2.gz MBHCDDLDFUUWJA-UHFFFAOYSA-N 0 0 234.642 2.490 10 0 BEAERN CC(C)n1c(=O)cc(-c2ccsc2)[nH]c1=O ZINC000575622384 343869664 /nfs/dbraw/zinc/86/96/64/343869664.db2.gz KULDWWQINLJDJS-UHFFFAOYSA-N 0 0 236.296 2.258 10 0 BEAERN COC(=O)c1cc(-c2ccsc2)nc(C)n1 ZINC000575622370 343869836 /nfs/dbraw/zinc/86/98/36/343869836.db2.gz KBQRMJAPWBULRW-UHFFFAOYSA-N 0 0 234.280 2.300 10 0 BEAERN CC[C@@H](C)c1cc(=O)n(C(C)C)c(=O)[nH]1 ZINC000575621955 343870384 /nfs/dbraw/zinc/87/03/84/343870384.db2.gz BCPYZCNSRIEXHL-MRVPVSSYSA-N 0 0 210.277 2.043 10 0 BEAERN COc1nn(C)cc1N[C@H]1CC[C@H]1C1CC1 ZINC000336697224 537827459 /nfs/dbraw/zinc/82/74/59/537827459.db2.gz MFONAFWFLSEHCD-UWVGGRQHSA-N 0 0 221.304 2.029 10 0 BEAERN C[NH+](C)[C@H](C(=O)[O-])c1ccc(F)cc1Cl ZINC000234250790 343901165 /nfs/dbraw/zinc/90/11/65/343901165.db2.gz XXEUBEYXSNJGDH-VIFPVBQESA-N 0 0 231.654 2.166 10 0 BEAERN Cc1nn(C)c(Cl)c1C[C@@H]1CCCC1=O ZINC000135138791 343942982 /nfs/dbraw/zinc/94/29/82/343942982.db2.gz VJPMRKWHBOCXPH-QMMMGPOBSA-N 0 0 226.707 2.294 10 0 BEAERN CCOC(=O)c1nc(NC2CC2)sc1C ZINC000126462393 343912425 /nfs/dbraw/zinc/91/24/25/343912425.db2.gz WVJNEMZPTWLOMB-UHFFFAOYSA-N 0 0 226.301 2.203 10 0 BEAERN COC(=O)Cc1cc(F)cc(OC(F)F)c1 ZINC000309285582 347016031 /nfs/dbraw/zinc/01/60/31/347016031.db2.gz LLKDRJFOTDJPLN-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN Cc1nc(-c2cccnc2N)sc1C ZINC000070007111 343946353 /nfs/dbraw/zinc/94/63/53/343946353.db2.gz XAUOHCYABWIHKT-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN O=C1CCOc2c(F)c(Cl)ccc21 ZINC000126477828 343922519 /nfs/dbraw/zinc/92/25/19/343922519.db2.gz MRTHHLDESWDYOR-UHFFFAOYSA-N 0 0 200.596 2.444 10 0 BEAERN CN(C)NCc1ccc(F)cc1Cl ZINC000135086450 343932448 /nfs/dbraw/zinc/93/24/48/343932448.db2.gz SRVKOIQDMQONAZ-UHFFFAOYSA-N 0 0 202.660 2.045 10 0 BEAERN Cc1cccc([C@H]2Cc3n[nH]cc3[C@@H](O)C2)c1 ZINC000072415149 343950173 /nfs/dbraw/zinc/95/01/73/343950173.db2.gz YIOZUUUIVBBTSO-FZMZJTMJSA-N 0 0 228.295 2.482 10 0 BEAERN Clc1nccn2c1nnc2C1CCC1 ZINC000070616297 343952778 /nfs/dbraw/zinc/95/27/78/343952778.db2.gz YLDSMXBGANRXSR-UHFFFAOYSA-N 0 0 208.652 2.045 10 0 BEAERN Nc1ccc(C(=O)c2ccco2)cc1F ZINC000070651704 343953415 /nfs/dbraw/zinc/95/34/15/343953415.db2.gz WFDFHSQBNRTUOU-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN CC(C)C[C@@H](NC1=[NH+]CCCCC1)C(=O)[O-] ZINC000072417354 343957873 /nfs/dbraw/zinc/95/78/73/343957873.db2.gz GHJKJAVHVOPTNM-SNVBAGLBSA-N 0 0 226.320 2.048 10 0 BEAERN C[C@@H]1C[C@H]1c1nnc(Br)s1 ZINC000071051557 343959252 /nfs/dbraw/zinc/95/92/52/343959252.db2.gz VNHOCWHONCWCPV-QWWZWVQMSA-N 0 0 219.107 2.424 10 0 BEAERN Cn1ccnc1-c1ccc(N)cc1Cl ZINC000080627029 187281719 /nfs/dbraw/zinc/28/17/19/187281719.db2.gz NADCFKBLQOBMPN-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN C[C@H](c1nnc(Br)o1)C1CC1 ZINC000157868882 344059438 /nfs/dbraw/zinc/05/94/38/344059438.db2.gz CXYYLIMDTWBZHM-BYPYZUCNSA-N 0 0 217.066 2.346 10 0 BEAERN CCc1nc(CN2[C@H](C)COC[C@@H]2C)cs1 ZINC000077368066 344068506 /nfs/dbraw/zinc/06/85/06/344068506.db2.gz XXSZJFIASDFTRR-AOOOYVTPSA-N 0 0 240.372 2.315 10 0 BEAERN CC(=O)N(C)c1cccc(NC(C)C)c1 ZINC000128576974 187285509 /nfs/dbraw/zinc/28/55/09/187285509.db2.gz KRQOWRGPPHWWOX-UHFFFAOYSA-N 0 0 206.289 2.490 10 0 BEAERN CC[C@@H]1CS[C@@H](c2cscn2)N1 ZINC000126798361 344104692 /nfs/dbraw/zinc/10/46/92/344104692.db2.gz DUWRVNWUVSRZNS-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN CC(=O)c1ccc(CNC(F)(F)F)cc1 ZINC000095082686 187286407 /nfs/dbraw/zinc/28/64/07/187286407.db2.gz GHRHZTWTTBBVJZ-UHFFFAOYSA-N 0 0 217.190 2.499 10 0 BEAERN CCCCc1noc(C(C)(C)C(=O)OCC)n1 ZINC000093247807 187286587 /nfs/dbraw/zinc/28/65/87/187286587.db2.gz PRGBRWNTZNCSOI-UHFFFAOYSA-N 0 0 240.303 2.253 10 0 BEAERN COC(=O)c1cc(OC)c2ccccc2n1 ZINC000014508064 347026266 /nfs/dbraw/zinc/02/62/66/347026266.db2.gz BTVCFPOAOCFSJK-UHFFFAOYSA-N 0 0 217.224 2.030 10 0 BEAERN O[C@@H](c1ccncc1F)[C@H]1CCCS1 ZINC000157423977 344098429 /nfs/dbraw/zinc/09/84/29/344098429.db2.gz LQTBLTHAKWTYRU-ZJUUUORDSA-N 0 0 213.277 2.150 10 0 BEAERN CC(C)c1cnc(N[C@@H]2C[C@H]2CO)s1 ZINC000306290044 344100362 /nfs/dbraw/zinc/10/03/62/344100362.db2.gz OTVIKSIXJOCUCD-JGVFFNPUSA-N 0 0 212.318 2.059 10 0 BEAERN CSc1ccc(OC2CC2)c(C(N)=O)c1 ZINC000095732871 187288244 /nfs/dbraw/zinc/28/82/44/187288244.db2.gz DLNRLEDLTZJHFI-UHFFFAOYSA-N 0 0 223.297 2.049 10 0 BEAERN CC(=O)c1cc(Br)cc(C(C)=O)n1 ZINC000095766344 187288353 /nfs/dbraw/zinc/28/83/53/187288353.db2.gz RDIYEGXICVUSOI-UHFFFAOYSA-N 0 0 242.072 2.249 10 0 BEAERN Nc1cc2cc(-c3cccnc3)ccc2[nH]c1=O ZINC000026186030 344129571 /nfs/dbraw/zinc/12/95/71/344129571.db2.gz QPDXTWRVRZGSEB-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN C[C@@H]1OCC[C@]1(CO)Cc1ccsc1 ZINC000127328700 344142550 /nfs/dbraw/zinc/14/25/50/344142550.db2.gz XKGPFKYNZZVZMI-GXSJLCMTSA-N 0 0 212.314 2.078 10 0 BEAERN CNc1cnc(Br)c(C)c1 ZINC000234560882 344144872 /nfs/dbraw/zinc/14/48/72/344144872.db2.gz KHNRJJQCOAZVTN-UHFFFAOYSA-N 0 0 201.067 2.194 10 0 BEAERN COC(=O)C(C)(C)C[C@@H]1CCCCO1 ZINC000585143267 344177306 /nfs/dbraw/zinc/17/73/06/344177306.db2.gz RBSARXPILKOBHV-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN CC1CCC(NC(=O)CCCCCO)CC1 ZINC000309337834 344147605 /nfs/dbraw/zinc/14/76/05/344147605.db2.gz BSAPZFMXRUTGAV-UHFFFAOYSA-N 0 0 227.348 2.234 10 0 BEAERN C/C=C\C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000095936628 187288767 /nfs/dbraw/zinc/28/87/67/187288767.db2.gz ADJLYUKGFXQIBH-XOULXFPDSA-N 0 0 247.294 2.211 10 0 BEAERN COc1cc([C@H](C)O)cc(OC)c1Cl ZINC000216532542 344148553 /nfs/dbraw/zinc/14/85/53/344148553.db2.gz NMZJVASGHUFCEQ-LURJTMIESA-N 0 0 216.664 2.411 10 0 BEAERN Cc1c(Br)ccc2nc(C=O)cn21 ZINC000087546353 344235525 /nfs/dbraw/zinc/23/55/25/344235525.db2.gz VSFWTEWRJXZGHX-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN CC(C)(C)OC(=O)N1CC(CC(C)(C)CO)C1 ZINC000585143163 344179344 /nfs/dbraw/zinc/17/93/44/344179344.db2.gz DLPBNNKCIQCRNB-UHFFFAOYSA-N 0 0 243.347 2.262 10 0 BEAERN CCN(CC)c1ccc([C@H](O)C[C@@H]2CO2)cc1 ZINC000616572961 344184287 /nfs/dbraw/zinc/18/42/87/344184287.db2.gz XVYRYVZKHUDUCH-ZIAGYGMSSA-N 0 0 235.327 2.355 10 0 BEAERN CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@@H]1C ZINC000084156930 344188772 /nfs/dbraw/zinc/18/87/72/344188772.db2.gz UMFQTZRYBVGNJD-CMPLNLGQSA-N 0 0 233.315 2.022 10 0 BEAERN CCN(Cc1ccccn1)C(=O)N[C@H]1C[C@H]1C ZINC000084156937 344189092 /nfs/dbraw/zinc/18/90/92/344189092.db2.gz UMFQTZRYBVGNJD-PWSUYJOCSA-N 0 0 233.315 2.022 10 0 BEAERN C#Cc1c(N)cc(Cl)c(C(=O)OC)c1Cl ZINC000217533404 344199420 /nfs/dbraw/zinc/19/94/20/344199420.db2.gz LWYRCJNPQALZMW-UHFFFAOYSA-N 0 0 244.077 2.344 10 0 BEAERN Nc1nsc2ncc(Br)cc12 ZINC000306470919 344204275 /nfs/dbraw/zinc/20/42/75/344204275.db2.gz YIQNIADFTCRHTE-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@H]2[C@@H](C)C2(F)F)o1 ZINC000408231492 344267804 /nfs/dbraw/zinc/26/78/04/344267804.db2.gz IGJCRZUPWHSKPF-GJMOJQLCSA-N 0 0 244.241 2.061 10 0 BEAERN Cc1ccc(C[C@H](O)c2cnccn2)cc1C ZINC000049669373 178652782 /nfs/dbraw/zinc/65/27/82/178652782.db2.gz SZDPJFFMMFLGNM-AWEZNQCLSA-N 0 0 228.295 2.370 10 0 BEAERN Cc1c(N)c(O)c(F)cc1Br ZINC000219350328 344275232 /nfs/dbraw/zinc/27/52/32/344275232.db2.gz JNACAOMQWFDBMQ-UHFFFAOYSA-N 0 0 220.041 2.184 10 0 BEAERN CCOC(=O)[C@@H]1CCc2ccccc2N1CC ZINC000149426754 347043615 /nfs/dbraw/zinc/04/36/15/347043615.db2.gz HYLSALMVHDCSLG-ZDUSSCGKSA-N 0 0 233.311 2.391 10 0 BEAERN Cn1cnc(C(=O)c2cccc(Cl)c2)c1 ZINC000236109630 344297620 /nfs/dbraw/zinc/29/76/20/344297620.db2.gz CTLGLWJCHCJRAZ-UHFFFAOYSA-N 0 0 220.659 2.305 10 0 BEAERN COC(=O)[C@H](C)Cc1cccc(OC)c1 ZINC000039018743 344279054 /nfs/dbraw/zinc/27/90/54/344279054.db2.gz YOIMDRWWRMRCBA-SECBINFHSA-N 0 0 208.257 2.047 10 0 BEAERN Cn1ccnc1-c1cc(F)ccc1C=O ZINC000236078333 344295289 /nfs/dbraw/zinc/29/52/89/344295289.db2.gz SDMJMFDKMHLGAF-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN FC(F)n1cc2ccnc(Cl)c2n1 ZINC000218679333 344242346 /nfs/dbraw/zinc/24/23/46/344242346.db2.gz KGZAYVHWDRGJSO-UHFFFAOYSA-N 0 0 203.579 2.480 10 0 BEAERN OCCC1(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000133078162 344313398 /nfs/dbraw/zinc/31/33/98/344313398.db2.gz UHPCFKFSHNXDNJ-UHFFFAOYSA-N 0 0 229.707 2.185 10 0 BEAERN CC(=O)N(c1ccccn1)c1ncccc1C ZINC000098179202 187290310 /nfs/dbraw/zinc/29/03/10/187290310.db2.gz UKJWSGQKDFPGSQ-UHFFFAOYSA-N 0 0 227.267 2.470 10 0 BEAERN CCOC(=O)Cc1cc(C)ncc1Cl ZINC000238257748 344334512 /nfs/dbraw/zinc/33/45/12/344334512.db2.gz ZFNHCIZURJAPMV-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN Cc1ccc(Cl)c2c1NC(=O)CCO2 ZINC000062525448 178659248 /nfs/dbraw/zinc/65/92/48/178659248.db2.gz QGHGQNADHZQNAB-UHFFFAOYSA-N 0 0 211.648 2.369 10 0 BEAERN Cc1c(Br)ccc2c1C(=O)NCC2 ZINC000217957665 344424256 /nfs/dbraw/zinc/42/42/56/344424256.db2.gz PADOGGSLZAJVTL-UHFFFAOYSA-N 0 0 240.100 2.043 10 0 BEAERN COCCCn1nc(C)c2ccc(C=O)cc21 ZINC000139681373 344432546 /nfs/dbraw/zinc/43/25/46/344432546.db2.gz RXAMSECSXGHKGG-UHFFFAOYSA-N 0 0 232.283 2.194 10 0 BEAERN CN1CCCC[C@](C)(c2cccc(O)c2)C1=O ZINC000139542031 344373445 /nfs/dbraw/zinc/37/34/45/344373445.db2.gz BYRBRUAOVYXFRO-CQSZACIVSA-N 0 0 233.311 2.292 10 0 BEAERN OC[C@H]1CCCC[C@@H]1Nc1cc(C2CC2)ncn1 ZINC000641388361 362387857 /nfs/dbraw/zinc/38/78/57/362387857.db2.gz RNGGYFJQZMROEP-NEPJUHHUSA-N 0 0 247.342 2.317 10 0 BEAERN COC(C)(C)c1nsc(Br)n1 ZINC000166023254 344392730 /nfs/dbraw/zinc/39/27/30/344392730.db2.gz BYAVAVJJUDYVLX-UHFFFAOYSA-N 0 0 237.122 2.182 10 0 BEAERN Cc1cnn(-c2nc(Br)cs2)c1 ZINC000044116933 344394005 /nfs/dbraw/zinc/39/40/05/344394005.db2.gz XGDANQFRDMDLJD-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN COP(=O)(CC(=O)c1ccc(F)cc1)OC ZINC000038302834 344406846 /nfs/dbraw/zinc/40/68/46/344406846.db2.gz BDVORWKKBOPJIB-UHFFFAOYSA-N 0 0 246.174 2.494 10 0 BEAERN CCN(Cc1ccccc1)C(=O)[C@@H](C)COC ZINC000103357290 344445246 /nfs/dbraw/zinc/44/52/46/344445246.db2.gz WETUPZDEHHXNNE-LBPRGKRZSA-N 0 0 235.327 2.318 10 0 BEAERN C/C=C/O[C@@H](C)NC(=O)OC(C)(C)C ZINC000306817565 344448246 /nfs/dbraw/zinc/44/82/46/344448246.db2.gz DOJOMUSPIIHCQH-CZEYKFRCSA-N 0 0 201.266 2.407 10 0 BEAERN Cc1ccccc1[C@H](C)Nc1ccnc(C#N)n1 ZINC000381427778 344505556 /nfs/dbraw/zinc/50/55/56/344505556.db2.gz FQJIBUVYUBQZHA-NSHDSACASA-N 0 0 238.294 2.252 10 0 BEAERN CC(C)CN1c2ccc(Cl)cc2[C@@H](N)C1=O ZINC000103951664 344451599 /nfs/dbraw/zinc/45/15/99/344451599.db2.gz YJCKQKVDLLOZTR-LLVKDONJSA-N 0 0 238.718 2.342 10 0 BEAERN CO[C@@H]1CC[C@@H](Nc2cnnc(Cl)c2)C1 ZINC000234903744 344467353 /nfs/dbraw/zinc/46/73/53/344467353.db2.gz KPIWMOCXVZNOAK-VXNVDRBHSA-N 0 0 227.695 2.109 10 0 BEAERN CCn1c(N)nc2c1cccc2Br ZINC000217061573 344469217 /nfs/dbraw/zinc/46/92/17/344469217.db2.gz LKDWICOQGUBNAX-UHFFFAOYSA-N 0 0 240.104 2.401 10 0 BEAERN CCOC(=O)N1CC[C@H](c2ccccc2N)C1 ZINC000616609786 344477704 /nfs/dbraw/zinc/47/77/04/344477704.db2.gz ATJDFDZVDCEKNA-JTQLQIEISA-N 0 0 234.299 2.215 10 0 BEAERN CCc1cc(N)c(N)cc1Br ZINC000143642466 344479354 /nfs/dbraw/zinc/47/93/54/344479354.db2.gz WTRUJBFYAYUYHI-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN C[C@H]1SCC[C@@]1(O)Cc1ccccc1 ZINC000107149896 344479774 /nfs/dbraw/zinc/47/97/74/344479774.db2.gz DUXWLRMHMNZCFH-ZYHUDNBSSA-N 0 0 208.326 2.486 10 0 BEAERN OCc1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000084882428 344481735 /nfs/dbraw/zinc/48/17/35/344481735.db2.gz XJKJDTPRHGJPLS-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN S=c1[nH]ccn1CC[C@@H]1CCCCO1 ZINC000223674539 344482239 /nfs/dbraw/zinc/48/22/39/344482239.db2.gz COKDCRPNUGXWIO-VIFPVBQESA-N 0 0 212.318 2.131 10 0 BEAERN Cc1c(O)cc(Br)cc1C=O ZINC000223255446 344482311 /nfs/dbraw/zinc/48/23/11/344482311.db2.gz QTBZHSFMCFSRBD-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN Cc1cnc(SCc2csc(N)n2)nc1 ZINC000042404246 187291110 /nfs/dbraw/zinc/29/11/10/187291110.db2.gz ASWMIJAFTKSOPS-UHFFFAOYSA-N 0 0 238.341 2.116 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ncc[nH]2)C1 ZINC000230367472 344546420 /nfs/dbraw/zinc/54/64/20/344546420.db2.gz UOEVAHWPNIHAGN-SECBINFHSA-N 0 0 237.303 2.134 10 0 BEAERN COc1ccc(Cl)cc1C1(F)CNC1 ZINC000158127054 344548968 /nfs/dbraw/zinc/54/89/68/344548968.db2.gz BAQQRKCRWSMJQR-UHFFFAOYSA-N 0 0 215.655 2.117 10 0 BEAERN CC[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000158127086 344549161 /nfs/dbraw/zinc/54/91/61/344549161.db2.gz GBCJEFKBWLXHOW-MRVPVSSYSA-N 0 0 211.696 2.366 10 0 BEAERN O=c1c2c(nc3n1CCCCCC3)CCCC2 ZINC000029335813 344569501 /nfs/dbraw/zinc/56/95/01/344569501.db2.gz WCFODMJXNQITOI-UHFFFAOYSA-N 0 0 232.327 2.239 10 0 BEAERN CCc1ccc(S(=O)(=O)NCC(C)C)s1 ZINC000048664333 344590045 /nfs/dbraw/zinc/59/00/45/344590045.db2.gz FYBFUKZSSWNUNA-UHFFFAOYSA-N 0 0 247.385 2.245 10 0 BEAERN CC(C)(C)C[N@@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000127667551 344591727 /nfs/dbraw/zinc/59/17/27/344591727.db2.gz TUBFVJWXKCLSQW-GFCCVEGCSA-N 0 0 213.321 2.362 10 0 BEAERN CC1(C(=O)Nc2cccc(-c3ncon3)c2)CC1 ZINC000152496693 344581048 /nfs/dbraw/zinc/58/10/48/344581048.db2.gz XLAGIWCFIBFCOQ-UHFFFAOYSA-N 0 0 243.266 2.475 10 0 BEAERN COc1ccc2c(c1)nn(C)c2Br ZINC000220784320 344583951 /nfs/dbraw/zinc/58/39/51/344583951.db2.gz RYIUCQSWGBMXKX-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN CCOC(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000396122047 344608964 /nfs/dbraw/zinc/60/89/64/344608964.db2.gz VZAODFVVOLDMFM-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN COc1cc(F)c(OC(F)F)c(OC)c1 ZINC000396121870 344608990 /nfs/dbraw/zinc/60/89/90/344608990.db2.gz AJYMVVOTYKCKOG-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN CCOc1cc(OC)c(F)cc1OC ZINC000396125214 344609813 /nfs/dbraw/zinc/60/98/13/344609813.db2.gz GQPMKKFDJPOYHO-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(C#N)c1C ZINC000396136117 344613158 /nfs/dbraw/zinc/61/31/58/344613158.db2.gz KGWINTXJPGDDCB-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN CCOC(=O)c1cc(C)c(C#N)cc1F ZINC000396145285 344618741 /nfs/dbraw/zinc/61/87/41/344618741.db2.gz SMFDURMQTVQQFT-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1cc(C#N)c(O)c(CC)c1 ZINC000396138703 344614547 /nfs/dbraw/zinc/61/45/47/344614547.db2.gz SBQSSDMDHHCUPA-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1ccc(F)c(CC)c1C#N ZINC000396141047 344615606 /nfs/dbraw/zinc/61/56/06/344615606.db2.gz CKRYHMHXOGAESN-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1ccc(OC)c(Cl)c1C#N ZINC000396145457 344618584 /nfs/dbraw/zinc/61/85/84/344618584.db2.gz HMVHCBJFGSJFCS-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)Cc1cc(C)c(Cl)c(C#N)c1 ZINC000396143026 344616639 /nfs/dbraw/zinc/61/66/39/344616639.db2.gz LBGWSJJGACLBCL-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1c(C)c(F)ccc1C#N ZINC000396143018 344616844 /nfs/dbraw/zinc/61/68/44/344616844.db2.gz KYRVHRUSNHKYGM-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1cc(O)cc(C#N)c1Cl ZINC000396144355 344617469 /nfs/dbraw/zinc/61/74/69/344617469.db2.gz OTSQEAGOFGCFJS-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN COC(=O)Cc1ccc(C#N)c(Cl)c1F ZINC000396144112 344617511 /nfs/dbraw/zinc/61/75/11/344617511.db2.gz CFKKCQDHUKCUBH-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(F)cc1C#N ZINC000396144528 344617940 /nfs/dbraw/zinc/61/79/40/344617940.db2.gz DFBRXAQBBSZEOW-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN OCc1nccc(C(F)(F)F)c1OC(F)F ZINC000396093988 344599981 /nfs/dbraw/zinc/59/99/81/344599981.db2.gz IQGJESIGWXBQKP-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1ncc(C(F)(F)F)cc1OC(F)F ZINC000396093420 344599997 /nfs/dbraw/zinc/59/99/97/344599997.db2.gz HHHGEVJAUCNNTL-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN Cc1oc(I)nc1C1CC1 ZINC000230400310 344601315 /nfs/dbraw/zinc/60/13/15/344601315.db2.gz BVQIXYIRPKAWGX-UHFFFAOYSA-N 0 0 249.051 2.465 10 0 BEAERN CC1(c2coc(I)n2)CC1 ZINC000230400165 344601449 /nfs/dbraw/zinc/60/14/49/344601449.db2.gz IPRFZETXCHRVJS-UHFFFAOYSA-N 0 0 249.051 2.331 10 0 BEAERN c1nc2c(c(NCC[C@@H]3CCCO3)n1)CCCC2 ZINC000094871957 537853425 /nfs/dbraw/zinc/85/34/25/537853425.db2.gz ZZNYXBQVLNEFKX-NSHDSACASA-N 0 0 247.342 2.336 10 0 BEAERN COc1nccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396101637 344602422 /nfs/dbraw/zinc/60/24/22/344602422.db2.gz GTCNUZOWOREQON-UHFFFAOYSA-N 0 0 222.122 2.017 10 0 BEAERN OCc1cc(OC(F)F)nc(C(F)(F)F)c1 ZINC000396103175 344602694 /nfs/dbraw/zinc/60/26/94/344602694.db2.gz XOPWMDKHJZFZQV-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN N#Cc1cc(OC(F)(F)F)ccc1C=O ZINC000396106279 344603259 /nfs/dbraw/zinc/60/32/59/344603259.db2.gz VERLJKRVVREJIE-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN COc1cc(N)c(OC(F)(F)F)c(F)c1 ZINC000396107879 344604069 /nfs/dbraw/zinc/60/40/69/344604069.db2.gz UZJRQWASXVAVLR-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN N#CCc1c(F)ccc(N)c1C(F)(F)F ZINC000396107939 344604070 /nfs/dbraw/zinc/60/40/70/344604070.db2.gz XZHMDXZXSVYSPT-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN COc1c(N)cc(F)cc1OC(F)(F)F ZINC000396108858 344604929 /nfs/dbraw/zinc/60/49/29/344604929.db2.gz XIJZKNQXWUWGBR-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1ccc(OC(F)(F)F)c(F)c1N ZINC000396109510 344605206 /nfs/dbraw/zinc/60/52/06/344605206.db2.gz YNGHUPDLXNYDAR-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CCOC(=O)c1cc(F)cc(C(F)(F)F)n1 ZINC000396113900 344605761 /nfs/dbraw/zinc/60/57/61/344605761.db2.gz OLEWKYQXBIVFGN-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CN(C)c1ccc(C=O)cc1OC(F)(F)F ZINC000396112814 344605762 /nfs/dbraw/zinc/60/57/62/344605762.db2.gz CAZAQFLAMLGFRN-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1F ZINC000396114295 344605770 /nfs/dbraw/zinc/60/57/70/344605770.db2.gz FPROBEQZYZBLQC-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN COC(=O)c1cnc(C(F)(F)F)cc1F ZINC000396113856 344606036 /nfs/dbraw/zinc/60/60/36/344606036.db2.gz NVPUVUJFIYZXNH-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN COC(=O)c1cnc(F)cc1C(F)(F)F ZINC000396116326 344607076 /nfs/dbraw/zinc/60/70/76/344607076.db2.gz UXXWDDYJXASHKT-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CN(C)c1ccc(OC(F)(F)F)c(CO)c1 ZINC000396119668 344607847 /nfs/dbraw/zinc/60/78/47/344607847.db2.gz KPQGIYDMCMFJLM-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN Cn1nc(C2C(C)(C)C2(C)C)[nH]c1=S ZINC000127792999 344653764 /nfs/dbraw/zinc/65/37/64/344653764.db2.gz AKDJZVVTQLDDQK-UHFFFAOYSA-N 0 0 211.334 2.253 10 0 BEAERN O=Cc1csc(C[C@H]2CCCCO2)n1 ZINC000127830875 344660362 /nfs/dbraw/zinc/66/03/62/344660362.db2.gz XZIFGDVYSXNQEH-SECBINFHSA-N 0 0 211.286 2.067 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(C#N)c1F ZINC000396146324 344619683 /nfs/dbraw/zinc/61/96/83/344619683.db2.gz VWZPVDMJIJKDDI-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(Cl)c1OC ZINC000396146577 344620276 /nfs/dbraw/zinc/62/02/76/344620276.db2.gz KBUKGFYTOMCTNZ-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)Cc1cc(F)c(Cl)cc1C#N ZINC000396147228 344620978 /nfs/dbraw/zinc/62/09/78/344620978.db2.gz XSHNRFWRQDAKLW-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)Cc1ccc(F)c(Cl)c1C#N ZINC000396147458 344621008 /nfs/dbraw/zinc/62/10/08/344621008.db2.gz LSNJKICAWBDNTE-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1c(Cl)ccc(F)c1C#N ZINC000396148146 344621429 /nfs/dbraw/zinc/62/14/29/344621429.db2.gz MGVHTJPUTFDKAS-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)c1cc(F)c(C(F)F)cc1C#N ZINC000396150031 344623365 /nfs/dbraw/zinc/62/33/65/344623365.db2.gz AGCVYLFYVFQAQP-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(Cl)c1C=O ZINC000396151138 344623752 /nfs/dbraw/zinc/62/37/52/344623752.db2.gz BYTCGUXPBIKTMJ-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)c1cc(C)cc(Cl)c1[N+](=O)[O-] ZINC000396152052 344624670 /nfs/dbraw/zinc/62/46/70/344624670.db2.gz RBFJPPNLBUWOFV-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCOC(=O)c1ccc(CC)c(C#N)c1F ZINC000396152138 344624784 /nfs/dbraw/zinc/62/47/84/344624784.db2.gz CVNCPQAZDZHHIE-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1ccc(C=O)c(C#N)c1Cl ZINC000396152059 344624788 /nfs/dbraw/zinc/62/47/88/344624788.db2.gz CRXIMEYFQZAABR-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(CC)c1F ZINC000396153444 344625620 /nfs/dbraw/zinc/62/56/20/344625620.db2.gz FEWHGOMXHMEHKF-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN COC(=O)c1ccc(C)c([N+](=O)[O-])c1Cl ZINC000396153291 344625665 /nfs/dbraw/zinc/62/56/65/344625665.db2.gz SJJPITBKAXJZHA-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCc1cc(CC(=O)OC)c(C#N)cc1C ZINC000396154280 344626102 /nfs/dbraw/zinc/62/61/02/344626102.db2.gz UUFMXOZGJOVBHO-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1cc(Cl)c(OC)c(C#N)c1 ZINC000396154864 344626540 /nfs/dbraw/zinc/62/65/40/344626540.db2.gz UVWVRSVQEBSNHV-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1c(F)cc(C#N)cc1CC ZINC000396154465 344626618 /nfs/dbraw/zinc/62/66/18/344626618.db2.gz GFIUFYDNUXGNLC-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)Cc1c(C)c(F)ccc1C#N ZINC000396157506 344628950 /nfs/dbraw/zinc/62/89/50/344628950.db2.gz IUJQGKORCHFZTM-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)Cc1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000396168639 344630505 /nfs/dbraw/zinc/63/05/05/344630505.db2.gz XKOFKFGQDZHZBN-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)Cc1cc(C#N)cc(C)c1F ZINC000396158434 344631868 /nfs/dbraw/zinc/63/18/68/344631868.db2.gz KBUVKYPAWQYOQR-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCc1c(Cl)cc(C#N)cc1CC(=O)OC ZINC000396158537 344631993 /nfs/dbraw/zinc/63/19/93/344631993.db2.gz LAJWTCXIEGEJGU-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)Cc1ccc(C)c([N+](=O)[O-])c1Cl ZINC000396158425 344632068 /nfs/dbraw/zinc/63/20/68/344632068.db2.gz KAZMBLIDZILYHM-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)Cc1ccc(F)c(C#N)c1C ZINC000396160678 344633331 /nfs/dbraw/zinc/63/33/31/344633331.db2.gz NLUVSFKLIURRET-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1ccc(C#N)c(C)c1F ZINC000396161623 344634248 /nfs/dbraw/zinc/63/42/48/344634248.db2.gz PGSOHVLHKIDUSH-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCc1cc(C(=O)OC)cc(C#N)c1F ZINC000396162519 344634793 /nfs/dbraw/zinc/63/47/93/344634793.db2.gz OZPSNSDMXOGQMA-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(Cl)c1C=O ZINC000396163273 344635164 /nfs/dbraw/zinc/63/51/64/344635164.db2.gz PTIHSCAXWQOPHA-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)c1ccc(C)c(C)c1C#N ZINC000396164873 344635403 /nfs/dbraw/zinc/63/54/03/344635403.db2.gz OENLTECAMMFMRL-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN CCOC(=O)c1cc(C=O)cc(C#N)c1Cl ZINC000396164223 344635576 /nfs/dbraw/zinc/63/55/76/344635576.db2.gz RFCYMXUBNRFUBD-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)Cc1ccc(C)c(Cl)c1[N+](=O)[O-] ZINC000396165140 344635886 /nfs/dbraw/zinc/63/58/86/344635886.db2.gz SNEDODZGBUVVER-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1c(C#N)ccc(Cl)c1CC(=O)OC ZINC000396166082 344635952 /nfs/dbraw/zinc/63/59/52/344635952.db2.gz UDBBQNSBQYLXON-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(C#N)c1F ZINC000396167799 344636921 /nfs/dbraw/zinc/63/69/21/344636921.db2.gz YNLKIZVFKFGEHG-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CC(C)Cc1ncc2c(n1)CCCC2=O ZINC000050093791 344638292 /nfs/dbraw/zinc/63/82/92/344638292.db2.gz WKBMOYNJGWRWAT-UHFFFAOYSA-N 0 0 204.273 2.194 10 0 BEAERN COCCCCC(=O)N[C@H](C)C(C)(C)C ZINC000112250114 344639775 /nfs/dbraw/zinc/63/97/75/344639775.db2.gz BJRLRFGICDOOPQ-SNVBAGLBSA-N 0 0 215.337 2.354 10 0 BEAERN CN(Cc1ccco1)[C@@H]1CCCCC1=O ZINC000050133903 344646973 /nfs/dbraw/zinc/64/69/73/344646973.db2.gz IWRYXLSQKRLZDF-LLVKDONJSA-N 0 0 207.273 2.223 10 0 BEAERN Cc1cncc([C@@H](O)C(F)(F)Cl)c1 ZINC000158691470 344725149 /nfs/dbraw/zinc/72/51/49/344725149.db2.gz BLINPOPXQDMVLZ-SSDOTTSWSA-N 0 0 207.607 2.255 10 0 BEAERN CC[N@@H+]1CC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000221343162 344734097 /nfs/dbraw/zinc/73/40/97/344734097.db2.gz SZNKROCWUOZFOH-LBPRGKRZSA-N 0 0 219.284 2.194 10 0 BEAERN Cc1cc(C)cc(C(=O)c2csnn2)c1 ZINC000158747064 344737916 /nfs/dbraw/zinc/73/79/16/344737916.db2.gz UBWUCTKYEUOKEL-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN CCc1cc([N+](=O)[O-])c(N)cc1Cl ZINC000141021305 344744674 /nfs/dbraw/zinc/74/46/74/344744674.db2.gz DRKNDLWAYUJVKB-UHFFFAOYSA-N 0 0 200.625 2.393 10 0 BEAERN Cc1ccc(N)c(NS(=O)(=O)C(C)C)c1C ZINC000037657285 178704127 /nfs/dbraw/zinc/70/41/27/178704127.db2.gz ZSQXKDFMBUGOAH-UHFFFAOYSA-N 0 0 242.344 2.036 10 0 BEAERN Cc1ccc(N)c(Oc2cc(C)ncn2)c1 ZINC000040727478 178704405 /nfs/dbraw/zinc/70/44/05/178704405.db2.gz AMGPWJFXKCSSSD-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN C[C@@]1([C@H](O)c2cccnc2)CCCS1 ZINC000158616800 344698539 /nfs/dbraw/zinc/69/85/39/344698539.db2.gz URDPBYRRVDKPTA-MNOVXSKESA-N 0 0 209.314 2.401 10 0 BEAERN O=C(C[C@@H]1CCCCO1)c1cccnc1 ZINC000127992152 344704704 /nfs/dbraw/zinc/70/47/04/344704704.db2.gz WIVMLMPLZJNTBQ-NSHDSACASA-N 0 0 205.257 2.224 10 0 BEAERN Cc1nc(C(=O)c2csc(C)n2)cs1 ZINC000221239353 344706896 /nfs/dbraw/zinc/70/68/96/344706896.db2.gz PDJMFHXFBQTOFN-UHFFFAOYSA-N 0 0 224.310 2.447 10 0 BEAERN O=C(c1cncc(F)c1)C(F)(F)Cl ZINC000158667092 344712810 /nfs/dbraw/zinc/71/28/10/344712810.db2.gz LDPPGEHIYIBCIB-UHFFFAOYSA-N 0 0 209.554 2.235 10 0 BEAERN CC[C@@H](C(N)=S)n1nc(C)c(Cl)c1C ZINC000050586778 344715475 /nfs/dbraw/zinc/71/54/75/344715475.db2.gz QDIPGXWRGGZCTI-ZETCQYMHSA-N 0 0 231.752 2.391 10 0 BEAERN Cc1nn([C@H](C)C(N)=S)c(C)c1Cl ZINC000050586776 344715513 /nfs/dbraw/zinc/71/55/13/344715513.db2.gz ZVLPVGYPQLBCCZ-ZCFIWIBFSA-N 0 0 217.725 2.000 10 0 BEAERN Cc1ccc(N)cc1N(C)C1CCOCC1 ZINC000053735096 178707572 /nfs/dbraw/zinc/70/75/72/178707572.db2.gz LGZBKLNBGBLQLL-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1ccc(N)cc1NC[C@@H]1CCOC1 ZINC000061146749 178709885 /nfs/dbraw/zinc/70/98/85/178709885.db2.gz CGDIKPNGMGKCGB-JTQLQIEISA-N 0 0 206.289 2.026 10 0 BEAERN Cc1ccc(N2C(=O)N3CCC[C@]3(C)C2=O)cc1 ZINC000181936331 178711604 /nfs/dbraw/zinc/71/16/04/178711604.db2.gz LSDQBMZGYIKGCD-CQSZACIVSA-N 0 0 244.294 2.316 10 0 BEAERN Nc1cccn(CCC2CCCC2)c1=O ZINC000300737512 537857228 /nfs/dbraw/zinc/85/72/28/537857228.db2.gz HNIAKRJJMZOGSQ-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN CCOC(=O)[C@H](O)C1=CCC(C)(C)CC1 ZINC000675052735 537859555 /nfs/dbraw/zinc/85/95/55/537859555.db2.gz IIKYCZSBBKEZSI-SNVBAGLBSA-N 0 0 212.289 2.047 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000248627454 537857523 /nfs/dbraw/zinc/85/75/23/537857523.db2.gz VJLUUDIVARRJKJ-WHOHXGKFSA-N 0 0 227.348 2.210 10 0 BEAERN CC1(C)CC[C@H](C[C@H]2CSCC2=O)O1 ZINC000166209128 344789607 /nfs/dbraw/zinc/78/96/07/344789607.db2.gz HEUDUCYMUIYRKW-DTWKUNHWSA-N 0 0 214.330 2.266 10 0 BEAERN [NH3+]Cc1ccccc1Oc1ccncc1 ZINC000043558593 187293194 /nfs/dbraw/zinc/29/31/94/187293194.db2.gz JCWBHVFYLDPVCD-UHFFFAOYSA-N 0 0 200.241 2.333 10 0 BEAERN Cc1nc(Cl)cc(=O)n1CCC(C)C ZINC000166213047 344801959 /nfs/dbraw/zinc/80/19/59/344801959.db2.gz CCEIXODVFWJDLE-UHFFFAOYSA-N 0 0 214.696 2.251 10 0 BEAERN CC[C@H]1CC=C([C@@](O)(CO)C(F)(F)F)CC1 ZINC000675052718 537860399 /nfs/dbraw/zinc/86/03/99/537860399.db2.gz IEVHEOGPCOGERW-WPRPVWTQSA-N 0 0 238.249 2.409 10 0 BEAERN CSc1ccc(NC[C@@H](C)C[C@H](C)O)nn1 ZINC000077228461 344819152 /nfs/dbraw/zinc/81/91/52/344819152.db2.gz LOKLQLPUUHGBGH-IUCAKERBSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@H]1CC([C@@](O)(CO)C(F)(F)F)=C[C@@H](C)C1 ZINC000675053209 537862926 /nfs/dbraw/zinc/86/29/26/537862926.db2.gz LTDPCPJNJXHONE-XKSSXDPKSA-N 0 0 238.249 2.265 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1O ZINC000189400171 178743407 /nfs/dbraw/zinc/74/34/07/178743407.db2.gz DWAZNUPXGWNMLS-ZYHUDNBSSA-N 0 0 249.310 2.454 10 0 BEAERN Nc1cc(Cl)cc(C(=O)c2ccc[nH]2)c1 ZINC000166273998 344839870 /nfs/dbraw/zinc/83/98/70/344839870.db2.gz CEDAARBUAZDPII-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN CCCNc1ncc(CO)cc1Cl ZINC000166277256 344839977 /nfs/dbraw/zinc/83/99/77/344839977.db2.gz XEAQDCIIQDFVQY-UHFFFAOYSA-N 0 0 200.669 2.049 10 0 BEAERN CS[C@H]1CC[C@H](N2CN=NC2=S)C1 ZINC000235152379 344823728 /nfs/dbraw/zinc/82/37/28/344823728.db2.gz MSRKCFGTFUWJDV-BQBZGAKWSA-N 0 0 215.347 2.023 10 0 BEAERN CC1=NN(C)C(=O)C1c1ccc(F)cc1 ZINC000675053284 537864261 /nfs/dbraw/zinc/86/42/61/537864261.db2.gz FUZHXLXZNWDBNF-UHFFFAOYSA-N 0 0 206.220 2.240 10 0 BEAERN CS[C@H]1CCC[C@@H]1N1CN=NC1=S ZINC000235211429 344846537 /nfs/dbraw/zinc/84/65/37/344846537.db2.gz ZHYDAEOTSROASL-BQBZGAKWSA-N 0 0 215.347 2.023 10 0 BEAERN CCOC(=O)c1nc([C@H]2C[C@@H]2C)ncc1C ZINC000300852974 537865938 /nfs/dbraw/zinc/86/59/38/537865938.db2.gz BJPQZRPYSYZLHS-CBAPKCEASA-N 0 0 220.272 2.085 10 0 BEAERN Cc1cc(N)nn1CCSC(F)(F)F ZINC000300850824 537866103 /nfs/dbraw/zinc/86/61/03/537866103.db2.gz HDUDQYAWRGYDBN-UHFFFAOYSA-N 0 0 225.239 2.027 10 0 BEAERN C[C@@H]1C[C@H](C)CC(O)=C1C(=O)C(C)(F)F ZINC000300913197 537868243 /nfs/dbraw/zinc/86/82/43/537868243.db2.gz SBLQGSQJILGIBB-LKEWCRSYSA-N 0 0 218.243 2.462 10 0 BEAERN CC(C)(C)C(=O)N1CCc2c1cccc2N ZINC000070614441 537872991 /nfs/dbraw/zinc/87/29/91/537872991.db2.gz NXINMUDJFHOSIA-UHFFFAOYSA-N 0 0 218.300 2.204 10 0 BEAERN Cc1ccc(N[C@@H]2CCCCNC2=O)c(F)c1 ZINC000020372359 178773318 /nfs/dbraw/zinc/77/33/18/178773318.db2.gz YPQAUZCANHMIOL-GFCCVEGCSA-N 0 0 236.290 2.215 10 0 BEAERN COC1CCN(c2ccc(C=O)s2)CC1 ZINC000070609242 537873031 /nfs/dbraw/zinc/87/30/31/537873031.db2.gz VYUAISZGNYRDKZ-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN OCc1c[nH]c(-c2cccc(Cl)c2)n1 ZINC000062820473 347084915 /nfs/dbraw/zinc/08/49/15/347084915.db2.gz FSKHJWFZUPIZKV-UHFFFAOYSA-N 0 0 208.648 2.222 10 0 BEAERN Cc1ccc(N[C@@H](C)C(=O)N(C)C)c(C)c1 ZINC000058181508 178769618 /nfs/dbraw/zinc/76/96/18/178769618.db2.gz RXCRVKONDSGGBZ-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN CC(=O)CCN(C)Cc1ccccc1F ZINC000047979748 187294146 /nfs/dbraw/zinc/29/41/46/187294146.db2.gz SNRFBUNNYVZLQL-UHFFFAOYSA-N 0 0 209.264 2.237 10 0 BEAERN CC[C@@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000166491745 344908593 /nfs/dbraw/zinc/90/85/93/344908593.db2.gz OFKASPWWOJPCGS-MRVPVSSYSA-N 0 0 211.696 2.366 10 0 BEAERN CO[C@H](C)CNc1nc(C)nc(Cl)c1C ZINC000224475058 344925270 /nfs/dbraw/zinc/92/52/70/344925270.db2.gz SCOSLSIBSVEEQE-ZCFIWIBFSA-N 0 0 229.711 2.194 10 0 BEAERN CO[C@H](C)CNc1nc(Cl)ncc1Cl ZINC000224479761 344925929 /nfs/dbraw/zinc/92/59/29/344925929.db2.gz KGRRVQOKGWQZIW-RXMQYKEDSA-N 0 0 236.102 2.230 10 0 BEAERN Cc1ccc(NC(=O)C[C@@H](O)C(C)C)c(O)c1 ZINC000122569887 187295563 /nfs/dbraw/zinc/29/55/63/187295563.db2.gz SATZQKKYFUCBEM-LLVKDONJSA-N 0 0 237.299 2.046 10 0 BEAERN O=c1cn[nH]c2cc(F)c(Br)cc12 ZINC000667366223 537874437 /nfs/dbraw/zinc/87/44/37/537874437.db2.gz ASZPNUQTWPXPNP-UHFFFAOYSA-N 0 0 243.035 2.237 10 0 BEAERN C[C@H]1CCCCC[C@H]1NC(=O)C(F)F ZINC000235545836 344937232 /nfs/dbraw/zinc/93/72/32/344937232.db2.gz JUDUMQNLMHNOHL-JGVFFNPUSA-N 0 0 205.248 2.337 10 0 BEAERN CC(C)(CO)CNc1cnccc1Cl ZINC000166653950 344951958 /nfs/dbraw/zinc/95/19/58/344951958.db2.gz KXIOTOKHTWXJGX-UHFFFAOYSA-N 0 0 214.696 2.165 10 0 BEAERN COc1ccc(Br)c(O)c1C(C)=O ZINC000033823404 344955399 /nfs/dbraw/zinc/95/53/99/344955399.db2.gz MBDKDYZATRCRSY-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN C[C@H]1OCC[C@@H]1SCc1cnc(N)s1 ZINC000235642363 344964484 /nfs/dbraw/zinc/96/44/84/344964484.db2.gz FNTONTNXPJYOCX-SVRRBLITSA-N 0 0 230.358 2.136 10 0 BEAERN C[C@H]1OCC[C@@H]1Sc1ccc(C=O)cn1 ZINC000235656188 344971925 /nfs/dbraw/zinc/97/19/25/344971925.db2.gz WIIMPZDUHJUIDW-SCZZXKLOSA-N 0 0 223.297 2.164 10 0 BEAERN Clc1ccncc1NCc1cc[nH]n1 ZINC000166713605 344972440 /nfs/dbraw/zinc/97/24/40/344972440.db2.gz PHCLZCUIHYACBT-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN C[C@H]1OCC[C@H]1Sc1ccc(C=O)cn1 ZINC000235666882 344974667 /nfs/dbraw/zinc/97/46/67/344974667.db2.gz WIIMPZDUHJUIDW-PSASIEDQSA-N 0 0 223.297 2.164 10 0 BEAERN C[C@@H](Sc1nc(Cl)ncc1F)[C@H](C)O ZINC000235569362 344944656 /nfs/dbraw/zinc/94/46/56/344944656.db2.gz XBXAFAAKSHMKMN-CRCLSJGQSA-N 0 0 236.699 2.131 10 0 BEAERN CCOC(=O)c1c(OC)ccc(F)c1F ZINC000044200975 344982298 /nfs/dbraw/zinc/98/22/98/344982298.db2.gz YWVVMNCTKWJGTQ-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CCOC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000044200459 344982433 /nfs/dbraw/zinc/98/24/33/344982433.db2.gz HUORHOPYFMYBFE-UHFFFAOYSA-N 0 0 230.166 2.185 10 0 BEAERN CC(=O)[C@H](N)c1ccc(Br)cc1 ZINC000238201107 344987888 /nfs/dbraw/zinc/98/78/88/344987888.db2.gz HMSBHOISTPZKEC-VIFPVBQESA-N 0 0 228.089 2.038 10 0 BEAERN CC(C)[C@@H](C)N(C)C1N=NC(=S)S1 ZINC000044241488 344991376 /nfs/dbraw/zinc/99/13/76/344991376.db2.gz RNGZMLXZNDTPSP-ZCFIWIBFSA-N 0 0 217.363 2.308 10 0 BEAERN Clc1nc2ccccc2c(-n2cccn2)n1 ZINC000011756784 344999266 /nfs/dbraw/zinc/99/92/66/344999266.db2.gz ZLZLZILYSKRDGC-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN C[C@H]1C[C@@H](Nc2cnnc(Cl)c2)CCO1 ZINC000235670908 345007396 /nfs/dbraw/zinc/00/73/96/345007396.db2.gz DOGDZAZMRVGGMS-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN Fc1cccc(NCC[C@H]2CCCO2)n1 ZINC000044381772 345046690 /nfs/dbraw/zinc/04/66/90/345046690.db2.gz LRNINJMMCMXHKX-SECBINFHSA-N 0 0 210.252 2.202 10 0 BEAERN CCc1cc(N2CCCC2)nc(Cl)n1 ZINC000238309478 345020304 /nfs/dbraw/zinc/02/03/04/345020304.db2.gz YFYVFCVZTXLZKH-UHFFFAOYSA-N 0 0 211.696 2.293 10 0 BEAERN COC(=O)[C@@H](N)CC[C@@H](C)CC(C)(C)C ZINC000044327101 345022494 /nfs/dbraw/zinc/02/24/94/345022494.db2.gz RFHKATAMDPUENG-ZJUUUORDSA-N 0 0 215.337 2.339 10 0 BEAERN C[C@H]1OCC[C@H]1Sc1nsnc1Cl ZINC000235677029 345025719 /nfs/dbraw/zinc/02/57/19/345025719.db2.gz BUBLYAHDHVXULQ-RFZPGFLSSA-N 0 0 236.749 2.461 10 0 BEAERN COc1c(C)ccnc1I ZINC000238367192 345030715 /nfs/dbraw/zinc/03/07/15/345030715.db2.gz WXGSQZGYHOTBBU-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN C[C@@H]1C[C@H](C)CC(O)=C1C(=O)C(F)(F)F ZINC000113944975 537885846 /nfs/dbraw/zinc/88/58/46/537885846.db2.gz SYQFDNMMRKJQBS-BBVRLYRLSA-N 0 0 222.206 2.369 10 0 BEAERN COc1c(F)ccnc1OC(F)(F)F ZINC000238411608 345042565 /nfs/dbraw/zinc/04/25/65/345042565.db2.gz QMXYRWAOKMUVGA-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN Cc1ccc(CCNC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000155129603 345068196 /nfs/dbraw/zinc/06/81/96/345068196.db2.gz VNLZAZWXAPWQEM-GXTWGEPZSA-N 0 0 247.338 2.221 10 0 BEAERN Cc1cc(C(N)=O)c(Cl)cc1Cl ZINC000238522789 345069122 /nfs/dbraw/zinc/06/91/22/345069122.db2.gz GKAZURQXKYTHRC-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN CCC[C@H](C)c1nc(C(=O)OCC)no1 ZINC000071047686 537886937 /nfs/dbraw/zinc/88/69/37/537886937.db2.gz GXPGIPGQDJDOLF-ZETCQYMHSA-N 0 0 212.249 2.150 10 0 BEAERN Cc1ccc(O[C@@H](C)C(N)=S)c(C)c1 ZINC000041218963 178817501 /nfs/dbraw/zinc/81/75/01/178817501.db2.gz BZMVASCAWLMLGC-VIFPVBQESA-N 0 0 209.314 2.357 10 0 BEAERN O=Cc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238540603 345075481 /nfs/dbraw/zinc/07/54/81/345075481.db2.gz GYYOLVIDEBAQEW-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN OC[C@@H]1[C@@H](c2cccc(F)c2)C1(F)F ZINC000675053632 537887126 /nfs/dbraw/zinc/88/71/26/537887126.db2.gz PMXRESJXYKSYMT-RKDXNWHRSA-N 0 0 202.175 2.167 10 0 BEAERN Cc1ccc(Oc2ccc(C)nn2)c(N)c1 ZINC000041045874 178819752 /nfs/dbraw/zinc/81/97/52/178819752.db2.gz MANFYJKPKXFIIJ-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1ccc(Oc2cc(C)ncn2)c(N)c1 ZINC000041045872 178820314 /nfs/dbraw/zinc/82/03/14/178820314.db2.gz UFYYWWQSGHVTTG-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1ccc(Cl)cc1N1CC[C@H](CO)C1 ZINC000011892888 345055675 /nfs/dbraw/zinc/05/56/75/345055675.db2.gz XQCRUNYBPCPEQH-JTQLQIEISA-N 0 0 225.719 2.467 10 0 BEAERN CCCN(CCC)C(=O)NCc1cscn1 ZINC000126333933 345115555 /nfs/dbraw/zinc/11/55/55/345115555.db2.gz XZZDQMFBSULVBP-UHFFFAOYSA-N 0 0 241.360 2.475 10 0 BEAERN O=c1ccc(OC(F)(F)F)c(Cl)[nH]1 ZINC000238721039 345118448 /nfs/dbraw/zinc/11/84/48/345118448.db2.gz KRSVPNZRHBDQKH-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Nc1cc2nc(Cl)c(Cl)nc2cc1N ZINC000238630487 345096157 /nfs/dbraw/zinc/09/61/57/345096157.db2.gz GKFUVUALFDXVAY-UHFFFAOYSA-N 0 0 229.070 2.101 10 0 BEAERN CCC1CCC(NC(=O)c2cccc(=O)[nH]2)CC1 ZINC000232902303 168519957 /nfs/dbraw/zinc/51/99/57/168519957.db2.gz LZDUQMMSZDTOLN-UHFFFAOYSA-N 0 0 248.326 2.074 10 0 BEAERN O=c1[nH]c(Cl)ccc1OC(F)(F)F ZINC000238694468 345111549 /nfs/dbraw/zinc/11/15/49/345111549.db2.gz ACBHSWGOASKQOB-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN O=c1[nH]c(OC(F)(F)F)ccc1Cl ZINC000238699229 345112276 /nfs/dbraw/zinc/11/22/76/345112276.db2.gz GRYGWANWRQJHBF-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Cc1nc([C@@H]2CCCN2c2cccc(C)n2)no1 ZINC000408311121 345113524 /nfs/dbraw/zinc/11/35/24/345113524.db2.gz XMNCWLOELRQLCX-NSHDSACASA-N 0 0 244.298 2.423 10 0 BEAERN CNc1ncnc(N(C)Cc2ccccc2)c1C ZINC000127240611 345167324 /nfs/dbraw/zinc/16/73/24/345167324.db2.gz ORKMGXWWMSQHFI-UHFFFAOYSA-N 0 0 242.326 2.463 10 0 BEAERN O=c1[nH]cnc(C2CCCC2)c1Br ZINC000127334292 345174268 /nfs/dbraw/zinc/17/42/68/345174268.db2.gz PIDYEZOXNLIAQF-UHFFFAOYSA-N 0 0 243.104 2.190 10 0 BEAERN CC[C@H](C)N=[S@](=O)(NC)c1cccc(N)c1 ZINC000675076174 537889660 /nfs/dbraw/zinc/88/96/60/537889660.db2.gz UXGSMWIWRVXXMJ-XXFAHNHDSA-N 0 0 241.360 2.029 10 0 BEAERN C[C@@H](COCc1ccccc1)NCc1ccon1 ZINC000634965792 345138493 /nfs/dbraw/zinc/13/84/93/345138493.db2.gz TZUNFCOFKRXMML-LBPRGKRZSA-N 0 0 246.310 2.370 10 0 BEAERN COC(=O)C1=C(O)[C@](C)(c2ccccc2)CCC1 ZINC000167204712 345144660 /nfs/dbraw/zinc/14/46/60/345144660.db2.gz WDZBBLDSAOBYTD-WFASDCNBSA-N 0 0 246.306 2.487 10 0 BEAERN Nc1ccn(CCCOCc2ccccc2)n1 ZINC000071352747 537890310 /nfs/dbraw/zinc/89/03/10/537890310.db2.gz RZZLWIBPSXPUJU-UHFFFAOYSA-N 0 0 231.299 2.072 10 0 BEAERN Cc1ccc(Sc2c[nH]nc2N)cc1 ZINC000040999473 178830331 /nfs/dbraw/zinc/83/03/31/178830331.db2.gz MKHQGUGVYQDGPR-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN O=Cc1nccn1CCCc1ccccc1 ZINC000051003464 345156616 /nfs/dbraw/zinc/15/66/16/345156616.db2.gz XKYZRWXKPNBEAK-UHFFFAOYSA-N 0 0 214.268 2.328 10 0 BEAERN CCCCOC[C@@H](CO)OCc1ccccc1 ZINC000139840541 345225139 /nfs/dbraw/zinc/22/51/39/345225139.db2.gz KWKQOILROHOQKS-CQSZACIVSA-N 0 0 238.327 2.381 10 0 BEAERN C[C@H]1CC[C@@H](NC(=O)C(C)(C)Br)C1 ZINC000128625093 345242256 /nfs/dbraw/zinc/24/22/56/345242256.db2.gz DLZDCXSPFKZECF-JGVFFNPUSA-N 0 0 248.164 2.465 10 0 BEAERN O=[N+]([O-])c1ccnc(OC(F)(F)F)c1CF ZINC000390117659 345243613 /nfs/dbraw/zinc/24/36/13/345243613.db2.gz DBDOUKQSFYIEBF-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN COc1cnc(C(C)(C)C)nc1Cl ZINC000146132306 345253929 /nfs/dbraw/zinc/25/39/29/345253929.db2.gz BOBBPXWOLBQCEB-UHFFFAOYSA-N 0 0 200.669 2.436 10 0 BEAERN O=C(c1ccncc1F)[C@H]1CSCCS1 ZINC000157398534 345258905 /nfs/dbraw/zinc/25/89/05/345258905.db2.gz CLAVFISQAZMRHF-SECBINFHSA-N 0 0 243.328 2.252 10 0 BEAERN Cc1cnn2c1N[C@@H](C)C[C@@H]2C(F)F ZINC000720942952 537893061 /nfs/dbraw/zinc/89/30/61/537893061.db2.gz ZRJFNYWLGMRZPZ-NKWVEPMBSA-N 0 0 201.220 2.202 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@@H]2O)nc(C(C)C)n1 ZINC000301673910 187302730 /nfs/dbraw/zinc/30/27/30/187302730.db2.gz RMNGMTOTLDHEGS-MNOVXSKESA-N 0 0 235.331 2.234 10 0 BEAERN Cc1cn2cc(Br)nc(Cl)c2n1 ZINC000146592399 345378496 /nfs/dbraw/zinc/37/84/96/345378496.db2.gz RISWJECEETZXSA-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Cc1ccc([C@@H]([NH2+]C2CC2)C(=O)[O-])c(C)c1 ZINC000037183609 178862438 /nfs/dbraw/zinc/86/24/38/178862438.db2.gz KJGKLIYGXODQNX-GFCCVEGCSA-N 0 0 219.284 2.181 10 0 BEAERN COCC(=O)c1ccc(Br)c(F)c1 ZINC000229182410 345444333 /nfs/dbraw/zinc/44/43/33/345444333.db2.gz YTIUIOPPDKPUTF-UHFFFAOYSA-N 0 0 247.063 2.417 10 0 BEAERN CN(C)N[C@H]1CCc2sc(Cl)cc21 ZINC000134163538 345402133 /nfs/dbraw/zinc/40/21/33/345402133.db2.gz TWHPUZOUEOMZRV-ZETCQYMHSA-N 0 0 216.737 2.455 10 0 BEAERN C[C@H](c1ccccn1)[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251272039 345492148 /nfs/dbraw/zinc/49/21/48/345492148.db2.gz OJFWZXBZSPXWIM-PWSUYJOCSA-N 0 0 234.299 2.082 10 0 BEAERN CC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000170822868 187304085 /nfs/dbraw/zinc/30/40/85/187304085.db2.gz ITHOVKFRVCNQJY-QPUJVOFHSA-N 0 0 247.298 2.175 10 0 BEAERN CO[C@@H]1[C@H](C)[C@@H](NCC(C)(F)F)C1(C)C ZINC000378769942 345560747 /nfs/dbraw/zinc/56/07/47/345560747.db2.gz FIMDVCSJOKWBAY-IWSPIJDZSA-N 0 0 221.291 2.291 10 0 BEAERN Cc1ccc([C@@H]2Cc3n[nH]cc3[C@@H](O)C2)cc1 ZINC000072415190 178876406 /nfs/dbraw/zinc/87/64/06/178876406.db2.gz BTBJZKPZZIPCMY-RISCZKNCSA-N 0 0 228.295 2.482 10 0 BEAERN CC(C)(O)CSCCNc1ncccc1F ZINC000084486989 345514917 /nfs/dbraw/zinc/51/49/17/345514917.db2.gz PCDPBDFVVUTTOJ-UHFFFAOYSA-N 0 0 244.335 2.137 10 0 BEAERN Fc1ccc(Nc2c[nH]nn2)cc1Cl ZINC000213586336 345601996 /nfs/dbraw/zinc/60/19/96/345601996.db2.gz QJJPRAXDHSTREV-UHFFFAOYSA-N 0 0 212.615 2.341 10 0 BEAERN Cc1c(N)ccc(=O)n1CC=C(Cl)Cl ZINC000403413352 537900751 /nfs/dbraw/zinc/90/07/51/537900751.db2.gz QPMADLWPALGUAM-UHFFFAOYSA-N 0 0 233.098 2.058 10 0 BEAERN NNCc1ccc(Cl)c(Br)c1 ZINC000137184629 345586086 /nfs/dbraw/zinc/58/60/86/345586086.db2.gz ZUFKJOBIQWYVSA-UHFFFAOYSA-N 0 0 235.512 2.066 10 0 BEAERN O=C1CCC[C@H]1c1ccc2c(c1)CCO2 ZINC000158849995 345590542 /nfs/dbraw/zinc/59/05/42/345590542.db2.gz MWDNCNOXGCPTNS-NSHDSACASA-N 0 0 202.253 2.458 10 0 BEAERN O=C1CCC[C@@H]1c1ccc2c(c1)CCO2 ZINC000158850140 345590590 /nfs/dbraw/zinc/59/05/90/345590590.db2.gz MWDNCNOXGCPTNS-LLVKDONJSA-N 0 0 202.253 2.458 10 0 BEAERN CC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181243805 187308834 /nfs/dbraw/zinc/30/88/34/187308834.db2.gz RMCPIYTXVLXFTI-ZANVPECISA-N 0 0 203.285 2.364 10 0 BEAERN COC(=O)c1cc(N)cn1CC=C(Cl)Cl ZINC000403445869 537901244 /nfs/dbraw/zinc/90/12/44/537901244.db2.gz WUAYKOQMLGSBEL-UHFFFAOYSA-N 0 0 249.097 2.176 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403816111 537902398 /nfs/dbraw/zinc/90/23/98/537902398.db2.gz JMDHYBVAODWZPI-MXWKQRLJSA-N 0 0 205.305 2.040 10 0 BEAERN Cc1ccc([C@H]([NH3+])CCC(=O)[O-])cc1C ZINC000020587406 178906122 /nfs/dbraw/zinc/90/61/22/178906122.db2.gz ZDSVUNQPOREOOD-LLVKDONJSA-N 0 0 207.273 2.168 10 0 BEAERN C[C@@H]1CC[C@@H]1Nc1ncc(Br)cn1 ZINC000114787029 345676133 /nfs/dbraw/zinc/67/61/33/345676133.db2.gz OFYADMQOPCQSRI-SVRRBLITSA-N 0 0 242.120 2.450 10 0 BEAERN O[C@@H]1CCc2ccccc2[C@]1(O)c1ccccc1 ZINC000032233399 345739797 /nfs/dbraw/zinc/73/97/97/345739797.db2.gz TXNJZFSOMICEJL-HZPDHXFCSA-N 0 0 240.302 2.230 10 0 BEAERN Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](CO)C1 ZINC000113653900 345754477 /nfs/dbraw/zinc/75/44/77/345754477.db2.gz INIORSSITPVKJU-SCZZXKLOSA-N 0 0 241.718 2.462 10 0 BEAERN CCOC(=O)/C=C\c1cncc2cccnc12 ZINC000113879899 345755272 /nfs/dbraw/zinc/75/52/72/345755272.db2.gz KPKJWURCAPUXRW-WAYWQWQTSA-N 0 0 228.251 2.206 10 0 BEAERN COc1cc(/C=C/Br)oc(=O)c1 ZINC000205742158 345756644 /nfs/dbraw/zinc/75/66/44/345756644.db2.gz LGAIZQGFGLWLSL-NSCUHMNNSA-N 0 0 231.045 2.014 10 0 BEAERN Cc1ccc(OCCCCCN2CC2)nc1 ZINC000032136332 345726124 /nfs/dbraw/zinc/72/61/24/345726124.db2.gz KFWRFBKJWKMZHG-UHFFFAOYSA-N 0 0 220.316 2.255 10 0 BEAERN CC(C)[C@H]1CNC(=O)N(Cc2ccccc2)C1=O ZINC000216356433 345758375 /nfs/dbraw/zinc/75/83/75/345758375.db2.gz REMKPIGQLMPXPK-GFCCVEGCSA-N 0 0 246.310 2.011 10 0 BEAERN COc1ccccc1[C@H](C)NC(=O)CCC(C)=O ZINC000201884546 345729866 /nfs/dbraw/zinc/72/98/66/345729866.db2.gz JZYLMOHFAPLKBC-NSHDSACASA-N 0 0 249.310 2.242 10 0 BEAERN CCOP(=O)(OCC)[C@H](C)CC(=O)OC ZINC000136203661 345808412 /nfs/dbraw/zinc/80/84/12/345808412.db2.gz JCZIZOCGOQNCPH-MRVPVSSYSA-N 0 0 238.220 2.204 10 0 BEAERN CCN(CC)c1ccc(C=O)c(OC(C)=O)c1 ZINC000034365166 345823468 /nfs/dbraw/zinc/82/34/68/345823468.db2.gz WLXZSIFIRUYEFX-UHFFFAOYSA-N 0 0 235.283 2.271 10 0 BEAERN O=Cc1cc(OC(=O)c2ccccc2)ccc1O ZINC000136496418 345814718 /nfs/dbraw/zinc/81/47/18/345814718.db2.gz WQWLBZWAWYBFFA-UHFFFAOYSA-N 0 0 242.230 2.424 10 0 BEAERN [NH3+][C@@H]1c2ccccc2OCc2ncccc21 ZINC000034078190 345816603 /nfs/dbraw/zinc/81/66/03/345816603.db2.gz JNMWVKAEZFXVBQ-ZDUSSCGKSA-N 0 0 212.252 2.022 10 0 BEAERN COc1cc2ncc3ncn(C)c3c2cc1OC ZINC000034118041 345817835 /nfs/dbraw/zinc/81/78/35/345817835.db2.gz GTLCUGKTQXANKD-UHFFFAOYSA-N 0 0 243.266 2.139 10 0 BEAERN CC[NH+](CC)Cc1ccc(CC(=O)[O-])cc1 ZINC000074045476 345819311 /nfs/dbraw/zinc/81/93/11/345819311.db2.gz MLLAILCISOSFNC-UHFFFAOYSA-N 0 0 221.300 2.156 10 0 BEAERN O[C@H](COc1ccccc1)c1ccccn1 ZINC000034246827 345820202 /nfs/dbraw/zinc/82/02/02/345820202.db2.gz ZIDRQEMNHBSPOP-CYBMUJFWSA-N 0 0 215.252 2.194 10 0 BEAERN Cc1c2c(c(C)c(C)c1O)O[C@@](C)(CO)C2 ZINC000034276132 345820410 /nfs/dbraw/zinc/82/04/10/345820410.db2.gz VJFYUVSMBZTZMK-CYBMUJFWSA-N 0 0 222.284 2.003 10 0 BEAERN [O-]N=Cc1c(F)cccc1Br ZINC000257354539 345774929 /nfs/dbraw/zinc/77/49/29/345774929.db2.gz YJPYUCCJWGUXAA-UHFFFAOYSA-N 0 0 218.025 2.396 10 0 BEAERN CCC(=O)c1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000034331492 345821429 /nfs/dbraw/zinc/82/14/29/345821429.db2.gz BNLGPCDIXZTQCF-UHFFFAOYSA-N 0 0 228.251 2.030 10 0 BEAERN COC(=O)C1=C(O)C2(CC1)CCCCC2 ZINC000306259795 537910974 /nfs/dbraw/zinc/91/09/74/537910974.db2.gz SRCBRCIOOWOQHA-SECBINFHSA-N 0 0 210.273 2.089 10 0 BEAERN Cc1ccc([C@H](O)Cn2ccc(C)cc2=O)cc1 ZINC000061909648 178915296 /nfs/dbraw/zinc/91/52/96/178915296.db2.gz PZOKUQSUVZPAFF-CQSZACIVSA-N 0 0 243.306 2.199 10 0 BEAERN O[C@H](Cc1csc(Cl)c1)c1cn[nH]c1 ZINC000306255310 537912371 /nfs/dbraw/zinc/91/23/71/537912371.db2.gz VICQUNFOQHMMCL-MRVPVSSYSA-N 0 0 228.704 2.401 10 0 BEAERN CC(C)C(=O)[C@H](F)C(=O)Nc1ccccc1 ZINC000135966459 345798327 /nfs/dbraw/zinc/79/83/27/345798327.db2.gz IJTLRYUTHKIZPU-JTQLQIEISA-N 0 0 223.247 2.188 10 0 BEAERN Cc1ccc([C@H]2CCCCN2S(C)(=O)=O)o1 ZINC000173716845 178918852 /nfs/dbraw/zinc/91/88/52/178918852.db2.gz BWCCXHZXTSAUGY-SNVBAGLBSA-N 0 0 243.328 2.075 10 0 BEAERN O=Cc1ccc(O[C@H]2CCSC2)cc1 ZINC000075134177 345843545 /nfs/dbraw/zinc/84/35/45/345843545.db2.gz DRMXBFQNLWEVIL-NSHDSACASA-N 0 0 208.282 2.383 10 0 BEAERN CC(C)(C)OC(=O)Nc1cc(N)ccc1O ZINC000218767409 345853864 /nfs/dbraw/zinc/85/38/64/345853864.db2.gz MVATUZWTXIGUOK-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN CCC1SC(c2ccncc2)=NC1=O ZINC000219697529 345859072 /nfs/dbraw/zinc/85/90/72/345859072.db2.gz ACWOAZSBBQRJSE-UHFFFAOYSA-N 0 0 206.270 2.473 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1ccncc1 ZINC000141118546 345859121 /nfs/dbraw/zinc/85/91/21/345859121.db2.gz VJEUDLGZVKDRFO-GFCCVEGCSA-N 0 0 236.315 2.013 10 0 BEAERN CC(=O)N1CCc2[nH]nc(-c3ccsc3)c2C1 ZINC000219685809 345859347 /nfs/dbraw/zinc/85/93/47/345859347.db2.gz SGMSMPXFEFVMEC-UHFFFAOYSA-N 0 0 247.323 2.043 10 0 BEAERN COC(=O)C=Cc1ccccc1C(C)=O ZINC000220236217 345861337 /nfs/dbraw/zinc/86/13/37/345861337.db2.gz LFADOSKLDCVTKK-BQYQJAHWSA-N 0 0 204.225 2.075 10 0 BEAERN COC(=O)C[C@H]1CCc2cc(OC)ccc2C1 ZINC000034506525 345830232 /nfs/dbraw/zinc/83/02/32/345830232.db2.gz MMAQDOZPRPEZOU-JTQLQIEISA-N 0 0 234.295 2.363 10 0 BEAERN CC(C)C[C@@]1(C)c2ccccc2C(=O)NC1=O ZINC000034542742 345830938 /nfs/dbraw/zinc/83/09/38/345830938.db2.gz OCWVLWIJJJHUSM-AWEZNQCLSA-N 0 0 231.295 2.260 10 0 BEAERN Cc1cc(N)ccc1S(=O)(=O)c1ccccc1 ZINC000034522651 345831019 /nfs/dbraw/zinc/83/10/19/345831019.db2.gz UCGJCVWDWRMVSB-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN CC(=O)N[C@@H]1CCCn2c3cc(C)ccc3nc21 ZINC000034543091 345831612 /nfs/dbraw/zinc/83/16/12/345831612.db2.gz QTYWQDVNYZXRCZ-GFCCVEGCSA-N 0 0 243.310 2.316 10 0 BEAERN COP(=O)(OC)C1(O)CCCCC1 ZINC000034566176 345831904 /nfs/dbraw/zinc/83/19/04/345831904.db2.gz PMPYXTRTUXHDED-UHFFFAOYSA-N 0 0 208.194 2.125 10 0 BEAERN CC(C)(C)S(=O)(=O)[C@@H]1C=CCCC1 ZINC000034568784 345832245 /nfs/dbraw/zinc/83/22/45/345832245.db2.gz MVDULLGHRRVLFL-SECBINFHSA-N 0 0 202.319 2.308 10 0 BEAERN c1cn(-c2cccc(-n3ccnc3)c2)cn1 ZINC000034484985 345835134 /nfs/dbraw/zinc/83/51/34/345835134.db2.gz GDWGYEKGZJOUHE-UHFFFAOYSA-N 0 0 210.240 2.058 10 0 BEAERN CCOC(=O)c1oc(-c2ccccc2)nc1O ZINC000142499918 345863414 /nfs/dbraw/zinc/86/34/14/345863414.db2.gz YYDRFBXEISLYAR-UHFFFAOYSA-N 0 0 233.223 2.224 10 0 BEAERN O=C(/C=C/CO)c1ccc(Br)cc1 ZINC000034606880 345837605 /nfs/dbraw/zinc/83/76/05/345837605.db2.gz PZJGNACRMBFIJS-OWOJBTEDSA-N 0 0 241.084 2.180 10 0 BEAERN COC(=O)c1cc(Cl)c(Cl)c(C)n1 ZINC000214922255 345838372 /nfs/dbraw/zinc/83/83/72/345838372.db2.gz YNRYADRBWQPXFD-UHFFFAOYSA-N 0 0 220.055 2.483 10 0 BEAERN CC(C)C(=O)Nc1cnn(-c2cncc(F)c2)c1 ZINC000169182418 345839059 /nfs/dbraw/zinc/83/90/59/345839059.db2.gz SOKFSBHFOROIOI-UHFFFAOYSA-N 0 0 248.261 2.001 10 0 BEAERN CCOC(=O)Cn1ccc2cccc(F)c21 ZINC000143785860 345866965 /nfs/dbraw/zinc/86/69/65/345866965.db2.gz QAXPGSLPVBUFEW-UHFFFAOYSA-N 0 0 221.231 2.344 10 0 BEAERN Cc1cc(N)cc(C)c1NC(=O)C(F)(F)F ZINC000235783056 345869844 /nfs/dbraw/zinc/86/98/44/345869844.db2.gz TVGKFMOIRVORTR-UHFFFAOYSA-N 0 0 232.205 2.386 10 0 BEAERN COc1ccc(N2C[C@@H]3CC[C@H]2CC3=O)cc1 ZINC000142835417 345876416 /nfs/dbraw/zinc/87/64/16/345876416.db2.gz AGJGSCBGSBTCAT-JQWIXIFHSA-N 0 0 231.295 2.253 10 0 BEAERN CC[S@](=O)c1ccc(N)cc1Br ZINC000148299327 345880145 /nfs/dbraw/zinc/88/01/45/345880145.db2.gz GZNCLHYQSFTTAE-GFCCVEGCSA-N 0 0 248.145 2.159 10 0 BEAERN C[C@H](C=O)Nc1ccc2c(C#N)nccc2c1 ZINC000143443530 345901484 /nfs/dbraw/zinc/90/14/84/345901484.db2.gz LZKNVFZZPJENRZ-SECBINFHSA-N 0 0 225.251 2.106 10 0 BEAERN Cc1cc(Cl)ccc1-c1nc(N)n[nH]1 ZINC000235791532 345904628 /nfs/dbraw/zinc/90/46/28/345904628.db2.gz YUTBPDMJJKDTIJ-UHFFFAOYSA-N 0 0 208.652 2.016 10 0 BEAERN NNc1cc(F)c(F)cc1Br ZINC000143643642 345907505 /nfs/dbraw/zinc/90/75/05/345907505.db2.gz KLTYFJSQVYXJBX-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN CCCn1cc([C@@]2(C)CCC(=O)C2)cn1 ZINC000166870035 345916624 /nfs/dbraw/zinc/91/66/24/345916624.db2.gz YEVHWCDQARFTAK-LBPRGKRZSA-N 0 0 206.289 2.304 10 0 BEAERN O=C(c1cnn(CC2CCC2)c1)C(F)(F)F ZINC000083841968 345920305 /nfs/dbraw/zinc/92/03/05/345920305.db2.gz BARHDYQKRDJFMW-UHFFFAOYSA-N 0 0 232.205 2.428 10 0 BEAERN CCOC(=O)C(C)=C1C[C@@H](C)O[C@@H](C)C1 ZINC000166928381 345953574 /nfs/dbraw/zinc/95/35/74/345953574.db2.gz VXNFFBBHLDJHQN-DTORHVGOSA-N 0 0 212.289 2.453 10 0 BEAERN CC(C)[C@@H]1CCc2nc(CO)sc2C1 ZINC000061802338 345953887 /nfs/dbraw/zinc/95/38/87/345953887.db2.gz OVNHFXYQHAAMBV-MRVPVSSYSA-N 0 0 211.330 2.396 10 0 BEAERN Cc1cc(F)c2nc(N)sc2c1F ZINC000235928750 345965425 /nfs/dbraw/zinc/96/54/25/345965425.db2.gz PZNSIHOHFTXOMO-UHFFFAOYSA-N 0 0 200.213 2.465 10 0 BEAERN COC(=O)[C@@H](C)c1ccc(F)c(F)c1F ZINC000061837977 345957767 /nfs/dbraw/zinc/95/77/67/345957767.db2.gz LSXWXTKHSAMXAE-YFKPBYRVSA-N 0 0 218.174 2.380 10 0 BEAERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC=CCN1 ZINC000628222255 345960502 /nfs/dbraw/zinc/96/05/02/345960502.db2.gz KXKOXAWITNTKCZ-BFHYXJOUSA-N 0 0 248.370 2.496 10 0 BEAERN Cc1cc(Cl)ccc1C(=O)N1CC=CCN1 ZINC000628223287 345963615 /nfs/dbraw/zinc/96/36/15/345963615.db2.gz YWWLCNFGRCYPRZ-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN Clc1nc2[nH]ccc2nc1Br ZINC000145226005 345932283 /nfs/dbraw/zinc/93/22/83/345932283.db2.gz HSMNZAAANMEUSY-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN COc1ccc2c(=O)[nH]c(Cl)nc2c1C ZINC000146076648 345951985 /nfs/dbraw/zinc/95/19/85/345951985.db2.gz ITVRAEZTYQSUIS-UHFFFAOYSA-N 0 0 224.647 2.306 10 0 BEAERN NC(=S)c1nc2ccc(Cl)cc2o1 ZINC000075851997 537928008 /nfs/dbraw/zinc/92/80/08/537928008.db2.gz FMNMJIUFBBPQNE-UHFFFAOYSA-N 0 0 212.661 2.115 10 0 BEAERN COc1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000161730060 345988626 /nfs/dbraw/zinc/98/86/26/345988626.db2.gz QUJAQQAEVALJDJ-ZCFIWIBFSA-N 0 0 209.270 2.128 10 0 BEAERN CN1Cc2ccc(Br)cc2C(=O)C1 ZINC000146898919 345991657 /nfs/dbraw/zinc/99/16/57/345991657.db2.gz BZNQXFJWNDSULO-UHFFFAOYSA-N 0 0 240.100 2.077 10 0 BEAERN CC[C@H](C)CC(=O)N1CCS[C@@H](C)C1 ZINC000191257114 345994220 /nfs/dbraw/zinc/99/42/20/345994220.db2.gz WQRXIKNPPSWTMX-UWVGGRQHSA-N 0 0 215.362 2.387 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCS[C@@H](C)C1 ZINC000191257100 345994267 /nfs/dbraw/zinc/99/42/67/345994267.db2.gz WQRXIKNPPSWTMX-ZJUUUORDSA-N 0 0 215.362 2.387 10 0 BEAERN CCc1nn(C[C@@H]2C[C@H]2C)c(CC)c1N ZINC000722671230 537929870 /nfs/dbraw/zinc/92/98/70/537929870.db2.gz WGVQHYKJTMDMSI-BDAKNGLRSA-N 0 0 207.321 2.246 10 0 BEAERN Cc1ccc(N)c(N2CCCC2=O)c1C ZINC000075604968 537929882 /nfs/dbraw/zinc/92/98/82/537929882.db2.gz ZSNVSWQNQOTGOK-UHFFFAOYSA-N 0 0 204.273 2.012 10 0 BEAERN [O-]C(=S)[C@@H]1C[C@@H](c2ccccc2)C[NH2+]1 ZINC000098088411 187362776 /nfs/dbraw/zinc/36/27/76/187362776.db2.gz DENRAPYZXLTMEG-ZJUUUORDSA-N 0 0 207.298 2.018 10 0 BEAERN COC(=O)c1ccccc1C(=O)CCSC ZINC000390460473 346051408 /nfs/dbraw/zinc/05/14/08/346051408.db2.gz BXEOVTTUPROONN-UHFFFAOYSA-N 0 0 238.308 2.409 10 0 BEAERN Nc1cc(Cl)cnc1Sc1ncns1 ZINC000148450611 346035911 /nfs/dbraw/zinc/03/59/11/346035911.db2.gz SUGIMHNWQGVPCJ-UHFFFAOYSA-N 0 0 244.732 2.320 10 0 BEAERN CC(=O)Cc1sc(Br)nc1C ZINC000082342594 187314542 /nfs/dbraw/zinc/31/45/42/187314542.db2.gz PYTQTEKVTYROKL-UHFFFAOYSA-N 0 0 234.118 2.346 10 0 BEAERN Brc1ccsc1C[C@H]1CO1 ZINC000148366082 346062292 /nfs/dbraw/zinc/06/22/92/346062292.db2.gz FNGPPAZPKNHOBQ-YFKPBYRVSA-N 0 0 219.103 2.452 10 0 BEAERN COc1cccc(C2C(C)=NN(C)C2=O)c1 ZINC000675054604 537947618 /nfs/dbraw/zinc/94/76/18/537947618.db2.gz RWQTYTBSVXSEMG-UHFFFAOYSA-N 0 0 218.256 2.110 10 0 BEAERN O=c1[nH][nH]c2c1cc(Br)cc2F ZINC000096321203 346112986 /nfs/dbraw/zinc/11/29/86/346112986.db2.gz KLXQOTDZQNEPDT-UHFFFAOYSA-N 0 0 231.024 2.170 10 0 BEAERN O=c1[nH]c2c(s1)c(Cl)ccc2F ZINC000096321303 346113020 /nfs/dbraw/zinc/11/30/20/346113020.db2.gz FQGQELHMXRGXPH-UHFFFAOYSA-N 0 0 203.625 2.382 10 0 BEAERN COC(=O)[C@]1(C[C@H]2CO2)CCC[C@H](C)C1 ZINC000669372165 537948073 /nfs/dbraw/zinc/94/80/73/537948073.db2.gz KFHWVECTMTXCTD-JBLDHEPKSA-N 0 0 212.289 2.145 10 0 BEAERN Cc1ccc2nc(NC(N)=S)sc2c1 ZINC000045237640 178978982 /nfs/dbraw/zinc/97/89/82/178978982.db2.gz LZWRIXAJVKFROK-UHFFFAOYSA-N 0 0 223.326 2.260 10 0 BEAERN CCOC(=O)CC1(O)C[C@@H](C)C[C@H](C)C1 ZINC000082832125 537943272 /nfs/dbraw/zinc/94/32/72/537943272.db2.gz RZYGKQMLHSHNGK-UWVGGRQHSA-N 0 0 214.305 2.127 10 0 BEAERN CCN1CCCNc2cc(Cl)cnc21 ZINC000149608507 346131682 /nfs/dbraw/zinc/13/16/82/346131682.db2.gz KFMFQNMMLVFCNJ-UHFFFAOYSA-N 0 0 211.696 2.377 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)C1CCC=CCC1 ZINC000635982862 346136885 /nfs/dbraw/zinc/13/68/85/346136885.db2.gz IUXLDNZVLLWJHK-AAEUAGOBSA-N 0 0 237.343 2.105 10 0 BEAERN COCCC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300634297 346169442 /nfs/dbraw/zinc/16/94/42/346169442.db2.gz NGEJGGBCBXZCGP-ZSBIGDGJSA-N 0 0 239.359 2.211 10 0 BEAERN CO[C@H](C)CNc1ccc(F)c(F)c1 ZINC000166986945 346172920 /nfs/dbraw/zinc/17/29/20/346172920.db2.gz RDXWRBQDDPGYBZ-SSDOTTSWSA-N 0 0 201.216 2.412 10 0 BEAERN O[C@@H](Cc1cccc(F)c1)C(F)(F)F ZINC000061893842 346174554 /nfs/dbraw/zinc/17/45/54/346174554.db2.gz IQFZDPACLLAAIO-QMMMGPOBSA-N 0 0 208.154 2.291 10 0 BEAERN COC(=O)c1cc(C=O)oc1C(C)(C)C ZINC000669372720 537950669 /nfs/dbraw/zinc/95/06/69/537950669.db2.gz XMWBZOWLKSGMBV-UHFFFAOYSA-N 0 0 210.229 2.176 10 0 BEAERN Cc1c(N)cnc(NC2CC2)c1Br ZINC000167002777 346178994 /nfs/dbraw/zinc/17/89/94/346178994.db2.gz MGGKWVAIXZSKER-UHFFFAOYSA-N 0 0 242.120 2.309 10 0 BEAERN Cc1c(Br)ccnc1[N+](=O)[O-] ZINC000140026114 346203384 /nfs/dbraw/zinc/20/33/84/346203384.db2.gz VUBAQAYPNPEVNH-UHFFFAOYSA-N 0 0 217.022 2.061 10 0 BEAERN CN1C(=S)N=NC1c1ccc(Cl)o1 ZINC000236086137 346191033 /nfs/dbraw/zinc/19/10/33/346191033.db2.gz PTWSREKOKKVESQ-UHFFFAOYSA-N 0 0 215.665 2.017 10 0 BEAERN CC[C@H](NN)c1sccc1Br ZINC000167107164 346192770 /nfs/dbraw/zinc/19/27/70/346192770.db2.gz OFPYCLHPHJMRAU-LURJTMIESA-N 0 0 235.150 2.425 10 0 BEAERN O[C@@H]1CCCC[C@H]1SC1CCOCC1 ZINC000062055017 346194625 /nfs/dbraw/zinc/19/46/25/346194625.db2.gz FUJUVSSQQPVGDQ-GHMZBOCLSA-N 0 0 216.346 2.202 10 0 BEAERN O=C(C(F)F)N1CC[C@H]2CCCC[C@@H]21 ZINC000236132802 346197430 /nfs/dbraw/zinc/19/74/30/346197430.db2.gz XQYWVYHFNDWMFZ-SFYZADRCSA-N 0 0 203.232 2.043 10 0 BEAERN Cc1cccc(C(=O)N(C)CC2CC2)c1N ZINC000037924786 179003797 /nfs/dbraw/zinc/00/37/97/179003797.db2.gz MALOPKQNSGBTIS-UHFFFAOYSA-N 0 0 218.300 2.059 10 0 BEAERN Cc1cccc(C(=O)N(C)CC(C)C)c1N ZINC000037098829 179004245 /nfs/dbraw/zinc/00/42/45/179004245.db2.gz IURATMLMBPMFQW-UHFFFAOYSA-N 0 0 220.316 2.305 10 0 BEAERN O=C(CC1OCCO1)c1cncc2ccccc21 ZINC000236395650 346234319 /nfs/dbraw/zinc/23/43/19/346234319.db2.gz QFAXBKQFQCVFQQ-UHFFFAOYSA-N 0 0 243.262 2.181 10 0 BEAERN Cc1cccc(C(=O)N2CCCO2)c1Cl ZINC000125473504 179008018 /nfs/dbraw/zinc/00/80/18/179008018.db2.gz DJUTZWVCHGYGTD-UHFFFAOYSA-N 0 0 225.675 2.426 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c1C ZINC000336233906 179008318 /nfs/dbraw/zinc/00/83/18/179008318.db2.gz ZBKDWDXPPPEAHC-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN CCc1ccc(C(=O)[C@@H]2CCCOC2)o1 ZINC000062229843 346222661 /nfs/dbraw/zinc/22/26/61/346222661.db2.gz JDPIOGFHMPTMGI-SECBINFHSA-N 0 0 208.257 2.451 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@H]2C)c1N ZINC000037909594 179009537 /nfs/dbraw/zinc/00/95/37/179009537.db2.gz NABLIFCIUQOKPA-SNVBAGLBSA-N 0 0 218.300 2.202 10 0 BEAERN Nc1cccc(-c2ccc(Cl)nn2)c1 ZINC000034264350 346239262 /nfs/dbraw/zinc/23/92/62/346239262.db2.gz AOJRFIYYPMBVPV-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN NN[C@@H](c1ccc(Cl)s1)C1CC1 ZINC000167384187 346244087 /nfs/dbraw/zinc/24/40/87/346244087.db2.gz GFEZWKGSOZZNPM-MRVPVSSYSA-N 0 0 202.710 2.316 10 0 BEAERN Cc1nn(Cc2ccc(Cl)nn2)cc1Cl ZINC000167422315 346246809 /nfs/dbraw/zinc/24/68/09/346246809.db2.gz DODGFFYIBUXPTP-UHFFFAOYSA-N 0 0 243.097 2.337 10 0 BEAERN Clc1ccc(CSc2ncns2)nn1 ZINC000167443492 346247798 /nfs/dbraw/zinc/24/77/98/346247798.db2.gz QIPQEFDAEQOIKK-UHFFFAOYSA-N 0 0 244.732 2.274 10 0 BEAERN CNS(=O)(=O)[C@@H]1CC[C@H](C)c2ccccc21 ZINC000669375952 537959339 /nfs/dbraw/zinc/95/93/39/537959339.db2.gz ZQSXOSCQJUHBSN-JOYOIKCWSA-N 0 0 239.340 2.174 10 0 BEAERN O[C@@H](c1cnc(C(F)(F)F)s1)C(F)F ZINC000236556148 346250283 /nfs/dbraw/zinc/25/02/83/346250283.db2.gz XCZKNJKOSWECHF-VKHMYHEASA-N 0 0 233.161 2.460 10 0 BEAERN CNS(=O)(=O)[C@H]1CC[C@@H](C)c2ccccc21 ZINC000669375953 537959579 /nfs/dbraw/zinc/95/95/79/537959579.db2.gz ZQSXOSCQJUHBSN-SKDRFNHKSA-N 0 0 239.340 2.174 10 0 BEAERN Oc1c[nH]c(Cc2cccc(Cl)c2)n1 ZINC000236575076 346251325 /nfs/dbraw/zinc/25/13/25/346251325.db2.gz NVGRGJDNGCYEPY-UHFFFAOYSA-N 0 0 208.648 2.360 10 0 BEAERN Cc1csc([C@H](O)C2=CCCCO2)n1 ZINC000167489533 346254269 /nfs/dbraw/zinc/25/42/69/346254269.db2.gz SJCGQBYQDFQNLB-SECBINFHSA-N 0 0 211.286 2.179 10 0 BEAERN Cc1cccc(C(=O)NC[C@@H](O)C(C)(C)C)c1C ZINC000268691330 179017035 /nfs/dbraw/zinc/01/70/35/179017035.db2.gz INWQFNQZVYLNJZ-CYBMUJFWSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1ccc([C@@H](N)C(=O)C2CCC2)cc1 ZINC000669376845 537962726 /nfs/dbraw/zinc/96/27/26/537962726.db2.gz YHHOYOLSCTZHCC-GFCCVEGCSA-N 0 0 203.285 2.364 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000225666142 179024419 /nfs/dbraw/zinc/02/44/19/179024419.db2.gz IYXZVDIMODEALI-KGLIPLIRSA-N 0 0 247.338 2.276 10 0 BEAERN CC(C)[C@H](C)N(C)c1ncc(C[NH3+])s1 ZINC000054895926 187318272 /nfs/dbraw/zinc/31/82/72/187318272.db2.gz NAFPODUIFJIFMX-QMMMGPOBSA-N 0 0 213.350 2.083 10 0 BEAERN C[C@H]1[NH2+]CCO[C@H]1c1ccccc1Cl ZINC000082964533 187318651 /nfs/dbraw/zinc/31/86/51/187318651.db2.gz DHZHDGAPDQINBW-LDYMZIIASA-N 0 0 211.692 2.389 10 0 BEAERN CC(=O)c1cc(Br)cnc1C ZINC000215287399 187319158 /nfs/dbraw/zinc/31/91/58/187319158.db2.gz RUXHXSRABFBHKZ-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN CC1(C)C(C(=O)N[C@@H]2CCC[C@H](O)C2)C1(C)C ZINC000673903538 488310567 /nfs/dbraw/zinc/31/05/67/488310567.db2.gz FKTRWEJTOABIMQ-ZJUUUORDSA-N 0 0 239.359 2.088 10 0 BEAERN CCOC(=O)N1CC[C@@H](O)c2ccccc21 ZINC000062552610 346279458 /nfs/dbraw/zinc/27/94/58/346279458.db2.gz LVPVKWRCOBWGSH-LLVKDONJSA-N 0 0 221.256 2.087 10 0 BEAERN O[C@@H](C1CC1)[C@H]1Cc2ccccc2S1 ZINC000136698093 346281625 /nfs/dbraw/zinc/28/16/25/346281625.db2.gz MKVGNKWCJGHZHO-NEPJUHHUSA-N 0 0 206.310 2.474 10 0 BEAERN O[C@H](C1CC1)[C@H]1Cc2ccccc2S1 ZINC000136698018 346281786 /nfs/dbraw/zinc/28/17/86/346281786.db2.gz MKVGNKWCJGHZHO-VXGBXAGGSA-N 0 0 206.310 2.474 10 0 BEAERN CC(C)(C)C(=O)[C@H](N)c1ccc(F)cc1 ZINC000669376697 537962637 /nfs/dbraw/zinc/96/26/37/537962637.db2.gz IQTDVQGBTXZVLQ-SNVBAGLBSA-N 0 0 209.264 2.441 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCO[C@@H]2C)c1F ZINC000149544348 179022836 /nfs/dbraw/zinc/02/28/36/179022836.db2.gz DPUHZTKMCKVGHE-MWLCHTKSSA-N 0 0 237.274 2.041 10 0 BEAERN O=C(N1C[C@@H]2CCC[C@H]21)N1CCCCCC1 ZINC000641747467 362674463 /nfs/dbraw/zinc/67/44/63/362674463.db2.gz JRSBMNBAUPRZCO-NWDGAFQWSA-N 0 0 222.332 2.467 10 0 BEAERN S=c1ccnc(N2CCCCCC2)[nH]1 ZINC000236709214 346295132 /nfs/dbraw/zinc/29/51/32/346295132.db2.gz RYUFPPHFGVMLOR-UHFFFAOYSA-N 0 0 209.318 2.146 10 0 BEAERN Cc1cccc(C)c1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000137567173 179031639 /nfs/dbraw/zinc/03/16/39/179031639.db2.gz IUUUSVWNWGRRLR-QWHCGFSZSA-N 0 0 247.338 2.194 10 0 BEAERN O=C(C1=CC(=S)CS1)N1CCCC1 ZINC000236712848 346298839 /nfs/dbraw/zinc/29/88/39/346298839.db2.gz ZXJZVXQZTSGKDI-UHFFFAOYSA-N 0 0 213.327 2.273 10 0 BEAERN Cc1cccc(C)c1-c1nnc([C@H](C)N)o1 ZINC000083349046 179028666 /nfs/dbraw/zinc/02/86/66/179028666.db2.gz SNKWFPCAKNJKCX-VIFPVBQESA-N 0 0 217.272 2.373 10 0 BEAERN Cc1cccc(C(F)(F)C(N)=S)c1 ZINC000068576794 179029354 /nfs/dbraw/zinc/02/93/54/179029354.db2.gz WZBJUSUZPOBPGK-UHFFFAOYSA-N 0 0 201.241 2.373 10 0 BEAERN CCOC(=O)c1ccc(C)c(-n2cccn2)c1 ZINC000167613147 346291368 /nfs/dbraw/zinc/29/13/68/346291368.db2.gz RXWOHLRAHFNXJJ-UHFFFAOYSA-N 0 0 230.267 2.357 10 0 BEAERN Cc1cccc(C)c1OCC(=O)N[C@H]1C[C@H]1C ZINC000075529671 179046234 /nfs/dbraw/zinc/04/62/34/179046234.db2.gz SUBBKOXVBPTQMO-NEPJUHHUSA-N 0 0 233.311 2.207 10 0 BEAERN Cc1cccc(C)c1OCCC(=O)N1CCCO1 ZINC000125461652 179046282 /nfs/dbraw/zinc/04/62/82/179046282.db2.gz MLJDSCUFIVKZDR-UHFFFAOYSA-N 0 0 249.310 2.236 10 0 BEAERN CN(C)n1c2ccc(Cl)cc2[nH]c1=S ZINC000148662578 346384075 /nfs/dbraw/zinc/38/40/75/346384075.db2.gz WZIWBGYTZPGZJT-UHFFFAOYSA-N 0 0 227.720 2.176 10 0 BEAERN Nc1ncc(C2(O)CCCCCC2)s1 ZINC000159794031 346430366 /nfs/dbraw/zinc/43/03/66/346430366.db2.gz NQIGIPKKYYIQIL-UHFFFAOYSA-N 0 0 212.318 2.267 10 0 BEAERN CCc1cc(NC(=O)C[C@@H](C)SC)n[nH]1 ZINC000124005637 346423307 /nfs/dbraw/zinc/42/33/07/346423307.db2.gz KXPDRZDSYWBIJI-SSDOTTSWSA-N 0 0 227.333 2.052 10 0 BEAERN C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(CO)cs2)C1 ZINC000669379425 537979074 /nfs/dbraw/zinc/97/90/74/537979074.db2.gz ATZNRXVQGXCCER-AOOOYVTPSA-N 0 0 240.372 2.113 10 0 BEAERN NC1(c2nc3cccc(Cl)c3o2)CC1 ZINC000160458928 346453976 /nfs/dbraw/zinc/45/39/76/346453976.db2.gz OMDSTEWQUCFWRL-UHFFFAOYSA-N 0 0 208.648 2.429 10 0 BEAERN Cc1nc(CNCc2cccc(C)n2)cs1 ZINC000048329770 179095121 /nfs/dbraw/zinc/09/51/21/179095121.db2.gz KPGYGUIYODSUMV-UHFFFAOYSA-N 0 0 233.340 2.445 10 0 BEAERN NC1(C(=O)c2sccc2Cl)CC1 ZINC000229957286 346481773 /nfs/dbraw/zinc/48/17/73/346481773.db2.gz ZTRMTZATJSKSMN-UHFFFAOYSA-N 0 0 201.678 2.076 10 0 BEAERN NN[C@@H](c1sccc1Cl)C(F)(F)F ZINC000229965813 346484397 /nfs/dbraw/zinc/48/43/97/346484397.db2.gz MXFCYOSAWDPMRG-YFKPBYRVSA-N 0 0 230.642 2.468 10 0 BEAERN CC1=NN(C)C(=O)C1Cc1ccc(F)cc1 ZINC000675054939 537980575 /nfs/dbraw/zinc/98/05/75/537980575.db2.gz WVTCXZNZIZSTHJ-UHFFFAOYSA-N 0 0 220.247 2.164 10 0 BEAERN COc1ccsc1C(=O)[C@@H]1CO[C@H](C)C1 ZINC000161987882 346505698 /nfs/dbraw/zinc/50/56/98/346505698.db2.gz COEMHCYJFIZSDJ-SFYZADRCSA-N 0 0 226.297 2.364 10 0 BEAERN C[C@@H]1C[C@H](C(=O)Cc2cccs2)CO1 ZINC000162111890 346509562 /nfs/dbraw/zinc/50/95/62/346509562.db2.gz RGHHAEPRXMDEAR-BDAKNGLRSA-N 0 0 210.298 2.285 10 0 BEAERN Cc1cccc(CNc2ccc(=O)n(C)c2)c1 ZINC000037785412 179102195 /nfs/dbraw/zinc/10/21/95/179102195.db2.gz SOWUNFJWBLHLLR-UHFFFAOYSA-N 0 0 228.295 2.306 10 0 BEAERN CC[C@@]1(C2CCCC2)O[C@]1(Cl)C(=O)OC ZINC000387629791 537982301 /nfs/dbraw/zinc/98/23/01/537982301.db2.gz DZYOSMXQMMEYBA-WDEREUQCSA-N 0 0 232.707 2.464 10 0 BEAERN C[C@@H](C(=O)Nc1ccnc(Cl)n1)C1CC1 ZINC000161788087 346499667 /nfs/dbraw/zinc/49/96/67/346499667.db2.gz ONNDMFUNEQKLGU-ZCFIWIBFSA-N 0 0 225.679 2.115 10 0 BEAERN Cc1cccc(Cn2ccnc2[C@H]2CCOC2)n1 ZINC000065409463 179110027 /nfs/dbraw/zinc/11/00/27/179110027.db2.gz YCYVEUZREOQSEO-LBPRGKRZSA-N 0 0 243.310 2.139 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CC[C@H](C)C1 ZINC000040716642 179119324 /nfs/dbraw/zinc/11/93/24/179119324.db2.gz FYDDBDSVKFEZHW-VIFPVBQESA-N 0 0 218.300 2.059 10 0 BEAERN Cc1cccc(N(C)C(=O)c2ccc(N)nc2)c1 ZINC000050707977 179113960 /nfs/dbraw/zinc/11/39/60/179113960.db2.gz PSXACAVXDGUXSU-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN Cc1cccc(Cn2cc(C=O)cn2)c1 ZINC000034926152 179109044 /nfs/dbraw/zinc/10/90/44/179109044.db2.gz WXNTYWZJBMFJNU-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Cc1cccc(N2CC[C@H](CO)C2)c1C ZINC000011892813 179123311 /nfs/dbraw/zinc/12/33/11/179123311.db2.gz VNQBGLARHDZFQO-LBPRGKRZSA-N 0 0 205.301 2.122 10 0 BEAERN Clc1nncc2c1ncn2C1CCC1 ZINC000725242105 537983968 /nfs/dbraw/zinc/98/39/68/537983968.db2.gz GBKACGBYFOUPEU-UHFFFAOYSA-N 0 0 208.652 2.205 10 0 BEAERN Nc1cccc(Cl)c1N1CCCCO1 ZINC000164158076 346593505 /nfs/dbraw/zinc/59/35/05/346593505.db2.gz KBCRYOUSYUYPCL-UHFFFAOYSA-N 0 0 212.680 2.454 10 0 BEAERN Nc1ccc(Cl)c(CN2CCCO2)c1 ZINC000164174349 346594171 /nfs/dbraw/zinc/59/41/71/346594171.db2.gz NGIOFAXRRVGLRQ-UHFFFAOYSA-N 0 0 212.680 2.060 10 0 BEAERN Cc1cccc(NC(=O)C(=O)N[C@H](C)C(C)C)c1 ZINC000048496775 179124404 /nfs/dbraw/zinc/12/44/04/179124404.db2.gz IKDMPDUYXQRYII-LLVKDONJSA-N 0 0 248.326 2.094 10 0 BEAERN Nc1cn(Cc2ccccc2)nc1[C@@H]1CCOC1 ZINC000164272287 346597636 /nfs/dbraw/zinc/59/76/36/346597636.db2.gz DVCLLIBBIBNZHD-GFCCVEGCSA-N 0 0 243.310 2.018 10 0 BEAERN Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(C)C)c1 ZINC000048496772 179125473 /nfs/dbraw/zinc/12/54/73/179125473.db2.gz IKDMPDUYXQRYII-NSHDSACASA-N 0 0 248.326 2.094 10 0 BEAERN Clc1nccc(NCc2cncs2)n1 ZINC000164544163 346608880 /nfs/dbraw/zinc/60/88/80/346608880.db2.gz JHGCUPONWSIFDY-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN C[C@]1(C(=O)C[C@H]2CCCO2)CCCS1 ZINC000164753233 346622753 /nfs/dbraw/zinc/62/27/53/346622753.db2.gz PDBDFKKVZVQQKJ-MWLCHTKSSA-N 0 0 214.330 2.410 10 0 BEAERN Cc1csc([C@@H]2CSCCO2)n1 ZINC000164685099 346617495 /nfs/dbraw/zinc/61/74/95/346617495.db2.gz XQUTVWKUKWTSAZ-ZETCQYMHSA-N 0 0 201.316 2.256 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@H](C)C1CC1 ZINC000035732588 179119549 /nfs/dbraw/zinc/11/95/49/179119549.db2.gz KKKQHIXDSAWTSD-SECBINFHSA-N 0 0 218.300 2.106 10 0 BEAERN OCc1cnc(-c2ccc(Cl)cc2)o1 ZINC000164716654 346619582 /nfs/dbraw/zinc/61/95/82/346619582.db2.gz NZXIFVVJVOJYDC-UHFFFAOYSA-N 0 0 209.632 2.487 10 0 BEAERN Cc1nc(Sc2nc(Cl)cs2)n[nH]1 ZINC000165261932 346646188 /nfs/dbraw/zinc/64/61/88/346646188.db2.gz USUDEGZEBZANQC-UHFFFAOYSA-N 0 0 232.721 2.374 10 0 BEAERN C[C@H]1CC(n2ncc(C=O)c2N)C[C@H](C)C1 ZINC000725242315 537984636 /nfs/dbraw/zinc/98/46/36/537984636.db2.gz SXNJHNHJOLXYKX-RKDXNWHRSA-N 0 0 221.304 2.275 10 0 BEAERN CCOC(=O)c1ccnc2[nH]cc(Cl)c21 ZINC000585672579 346652220 /nfs/dbraw/zinc/65/22/20/346652220.db2.gz RYSYOKCTYVLXPX-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000052003298 179136400 /nfs/dbraw/zinc/13/64/00/179136400.db2.gz VFNCCTCFFDKLKW-QWHCGFSZSA-N 0 0 248.326 2.420 10 0 BEAERN Nc1cc(Cl)cc(C(=O)c2cc[nH]c2)c1 ZINC000166275167 346669983 /nfs/dbraw/zinc/66/99/83/346669983.db2.gz UENYDIFXFWADMI-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN CC[NH+](CC)Cc1ccc(C(=O)[O-])cc1OC ZINC000166297511 346671207 /nfs/dbraw/zinc/67/12/07/346671207.db2.gz DOKOWZXAPTWTSO-UHFFFAOYSA-N 0 0 237.299 2.235 10 0 BEAERN Cc1[nH]c(C=O)nc1-c1ccccc1F ZINC000168198055 346729330 /nfs/dbraw/zinc/72/93/30/346729330.db2.gz SDFVXZVNRURBFI-UHFFFAOYSA-N 0 0 204.204 2.337 10 0 BEAERN CC(C)n1cc(C=O)c([C@@H]2CCCO2)n1 ZINC000167061425 346697021 /nfs/dbraw/zinc/69/70/21/346697021.db2.gz JQFNEZYQULSMJB-JTQLQIEISA-N 0 0 208.261 2.128 10 0 BEAERN COc1nsc(OC)c1-c1ccc(F)nc1 ZINC000669380127 537985943 /nfs/dbraw/zinc/98/59/43/537985943.db2.gz PSARKZFTGVVCAY-UHFFFAOYSA-N 0 0 240.259 2.361 10 0 BEAERN C[C@@H](c1ccc(Cl)s1)N1CCNC1=O ZINC000169088604 346753056 /nfs/dbraw/zinc/75/30/56/346753056.db2.gz SJULVISSYJYQCJ-LURJTMIESA-N 0 0 230.720 2.488 10 0 BEAERN Cc1cccc(Nc2nccnc2C(N)=S)c1 ZINC000054397012 179160755 /nfs/dbraw/zinc/16/07/55/179160755.db2.gz ZIYWNMFRKSRRAE-UHFFFAOYSA-N 0 0 244.323 2.163 10 0 BEAERN CCCC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000044821748 168566090 /nfs/dbraw/zinc/56/60/90/168566090.db2.gz LXHMTOWEQAIIRS-UHFFFAOYSA-N 0 0 234.299 2.408 10 0 BEAERN O=c1[nH]nc(C2CCC2)c2ccccc21 ZINC000117111042 347165700 /nfs/dbraw/zinc/16/57/00/347165700.db2.gz FUGIDLKAAXBTCY-UHFFFAOYSA-N 0 0 200.241 2.191 10 0 BEAERN Cc1cccc(Oc2nccn2C)c1N ZINC000050606727 179176238 /nfs/dbraw/zinc/17/62/38/179176238.db2.gz YNZCAINTLKEGJX-UHFFFAOYSA-N 0 0 203.245 2.103 10 0 BEAERN Cc1cccc(Sc2c[nH]nc2N)c1 ZINC000040999532 179176733 /nfs/dbraw/zinc/17/67/33/179176733.db2.gz AYDIVSKAFHQQJO-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN Cc1cccc(SCCC[C@H]([NH3+])C(=O)[O-])c1 ZINC000013780227 179177163 /nfs/dbraw/zinc/17/71/63/179177163.db2.gz IGLUMGLMRMKLJE-NSHDSACASA-N 0 0 239.340 2.279 10 0 BEAERN Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)[O-])c1 ZINC000049357367 179182583 /nfs/dbraw/zinc/18/25/83/179182583.db2.gz WHVHOTJCQOWBLM-NXEZZACHSA-N 0 0 207.273 2.119 10 0 BEAERN Cc1cccc([C@@H](N)C(F)(F)F)c1N ZINC000072191426 179185643 /nfs/dbraw/zinc/18/56/43/179185643.db2.gz AZTMIXLZGDBYTI-MRVPVSSYSA-N 0 0 204.195 2.139 10 0 BEAERN Cc1cccc([C@@H](N)c2noc(C3CC3)n2)c1 ZINC000036764253 179185869 /nfs/dbraw/zinc/18/58/69/179185869.db2.gz NHHDEZGXZMSFGI-LLVKDONJSA-N 0 0 229.283 2.304 10 0 BEAERN CO[C@@H]1CCC[C@@H]([C@H]2CSCC2=O)C1 ZINC000250445230 362804504 /nfs/dbraw/zinc/80/45/04/362804504.db2.gz CKWFLOMHFQPWTN-OPRDCNLKSA-N 0 0 214.330 2.124 10 0 BEAERN C[N@H+](C1CC1)[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250498458 362807280 /nfs/dbraw/zinc/80/72/80/362807280.db2.gz ZWBDSPFRBFJPPP-GHMZBOCLSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccc2c1ccnc2C(N)=S ZINC000082771196 179209708 /nfs/dbraw/zinc/20/97/08/179209708.db2.gz HEIWGOMHSYKWEB-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN CCc1[nH]c(=O)nc(N)c1-c1ccc(Cl)cc1 ZINC000036488385 347357860 /nfs/dbraw/zinc/35/78/60/347357860.db2.gz AXQZDZBJECJYPG-UHFFFAOYSA-N 0 0 249.701 2.235 10 0 BEAERN CCOC(=O)[C@H](O)C1(F)CCC(C)(C)CC1 ZINC000675055256 537989767 /nfs/dbraw/zinc/98/97/67/537989767.db2.gz ZPFDPSFBEOFSQD-VIFPVBQESA-N 0 0 232.295 2.219 10 0 BEAERN O=C(OCc1ccccc1)[C@@H]1CCC[C@@H](O)C1 ZINC000118826759 347365860 /nfs/dbraw/zinc/36/58/60/347365860.db2.gz NEAMXHCILVUVBV-CHWSQXEVSA-N 0 0 234.295 2.281 10 0 BEAERN CSCCCCNC(=O)[C@H]1CCCO[C@H]1C ZINC000191923389 136748706 /nfs/dbraw/zinc/74/87/06/136748706.db2.gz MVVFWHHQXAXXFC-QWRGUYRKSA-N 0 0 245.388 2.061 10 0 BEAERN Cc1cccc2c1N[C@@]1(CCCSC1)NC2=O ZINC000108943741 179219736 /nfs/dbraw/zinc/21/97/36/179219736.db2.gz VCCVSJMNQWHYDX-ZDUSSCGKSA-N 0 0 248.351 2.374 10 0 BEAERN COc1cc2c(Cl)cc[nH]c-2cc1=O ZINC000148835674 347395721 /nfs/dbraw/zinc/39/57/21/347395721.db2.gz KFVNRVYYEBTMAV-UHFFFAOYSA-N 0 0 209.632 2.142 10 0 BEAERN Cc1cnc([C@@H](N)c2ccccc2)s1 ZINC000036761879 347451250 /nfs/dbraw/zinc/45/12/50/347451250.db2.gz NUZFQMYLFJXUJE-JTQLQIEISA-N 0 0 204.298 2.500 10 0 BEAERN Cc1cccc2nc([C@H]3CCOC3)[nH]c(=O)c12 ZINC000328802198 179232194 /nfs/dbraw/zinc/23/21/94/179232194.db2.gz ZTGZFPOMJYHLTF-VIFPVBQESA-N 0 0 230.267 2.148 10 0 BEAERN Cc1cccc2sc(NCCO)nc21 ZINC000045237257 179233777 /nfs/dbraw/zinc/23/37/77/179233777.db2.gz HEXNWQZAKPODQC-UHFFFAOYSA-N 0 0 208.286 2.009 10 0 BEAERN CCOC(=O)CCOc1ccc(C)cc1 ZINC000036667490 347429933 /nfs/dbraw/zinc/42/99/33/347429933.db2.gz LTDJUEKPAAYCQC-UHFFFAOYSA-N 0 0 208.257 2.327 10 0 BEAERN C[C@H]1Cc2c(c(Br)ccc2N)O1 ZINC000616567659 347435925 /nfs/dbraw/zinc/43/59/25/347435925.db2.gz KNWSNSAAZFCILZ-YFKPBYRVSA-N 0 0 228.089 2.355 10 0 BEAERN CO[C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000055200756 347436386 /nfs/dbraw/zinc/43/63/86/347436386.db2.gz WMROAKBCKLFAQN-YUMQZZPRSA-N 0 0 243.253 2.177 10 0 BEAERN Cc1ccccc1-c1nc(N)nc(Cl)n1 ZINC000072192351 179238303 /nfs/dbraw/zinc/23/83/03/179238303.db2.gz SDKPZVRBKRIVGE-UHFFFAOYSA-N 0 0 220.663 2.083 10 0 BEAERN CC(C)(C)OC(=O)N1CCCC[C@@H](CO)C1 ZINC000117947238 358453018 /nfs/dbraw/zinc/45/30/18/358453018.db2.gz GTUZRHLZQZWTGH-SNVBAGLBSA-N 0 0 229.320 2.016 10 0 BEAERN Cc1ccccc1-c1nnc2ccc(N)cn21 ZINC000019753829 179240395 /nfs/dbraw/zinc/24/03/95/179240395.db2.gz LYWIMMYMPHOAFD-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1ccccc1-c1sc(N)nc1N ZINC000082532346 179240973 /nfs/dbraw/zinc/24/09/73/179240973.db2.gz QESHZNRRCSLVHN-UHFFFAOYSA-N 0 0 205.286 2.283 10 0 BEAERN Cc1ccccc1C(=O)N1CCCC[C@@H](CO)C1 ZINC000377246091 179247371 /nfs/dbraw/zinc/24/73/71/179247371.db2.gz QZKPKEBVNXPVIZ-CYBMUJFWSA-N 0 0 247.338 2.230 10 0 BEAERN O=S1CCC(Nc2cccc(Cl)n2)CC1 ZINC000149778982 347512589 /nfs/dbraw/zinc/51/25/89/347512589.db2.gz DRDGQIDFBWWICZ-UHFFFAOYSA-N 0 0 244.747 2.058 10 0 BEAERN CCOC(=O)[C@]12CCCC[C@@H]1CC(=O)CC2 ZINC000196676534 347516438 /nfs/dbraw/zinc/51/64/38/347516438.db2.gz ZIHARWRTSSAORZ-MFKMUULPSA-N 0 0 224.300 2.479 10 0 BEAERN CCCc1cc2nc(C3CC3)nn2c(O)c1 ZINC000725243179 537990969 /nfs/dbraw/zinc/99/09/69/537990969.db2.gz NVZDZPJSIPRJLZ-UHFFFAOYSA-N 0 0 217.272 2.265 10 0 BEAERN Nc1c(F)cccc1C(=O)NC1CCCC1 ZINC000054205886 1172092749 /nfs/dbraw/zinc/09/27/49/1172092749.db2.gz DORYBNDWCRRRPF-UHFFFAOYSA-N 0 0 222.263 2.080 10 0 BEAERN Cc1ccccc1C1(C(=O)[O-])CC[NH+](C)CC1 ZINC000033487207 179255932 /nfs/dbraw/zinc/25/59/32/179255932.db2.gz ADYNYLDYOBELEF-UHFFFAOYSA-N 0 0 233.311 2.043 10 0 BEAERN Cc1cccnc1NC(=O)c1cccc(F)c1N ZINC000054205310 1172094010 /nfs/dbraw/zinc/09/40/10/1172094010.db2.gz LFOMNXFXORAZPL-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1ccccc1CCc1nnc(CN)s1 ZINC000071537020 179267034 /nfs/dbraw/zinc/26/70/34/179267034.db2.gz BMHFOTXBFQKUJQ-UHFFFAOYSA-N 0 0 233.340 2.090 10 0 BEAERN O=C1CCCCCN1Cc1nnsc1Cl ZINC000036820304 347823725 /nfs/dbraw/zinc/82/37/25/347823725.db2.gz CTHAIUJECZDSOD-UHFFFAOYSA-N 0 0 245.735 2.094 10 0 BEAERN COc1cccc([Si](C)(C)C)c1OC ZINC000196087508 347786136 /nfs/dbraw/zinc/78/61/36/347786136.db2.gz NSRMVFYJXHFMII-UHFFFAOYSA-N 0 0 210.349 2.249 10 0 BEAERN Cc1ccccc1NCCC(=O)O[C@@H]1CCOC1 ZINC000104102806 179305241 /nfs/dbraw/zinc/30/52/41/179305241.db2.gz JVHPEKHIEIAEQM-GFCCVEGCSA-N 0 0 249.310 2.129 10 0 BEAERN Cc1ccc2[nH]c3c(c2c1)CCOC3=O ZINC000196415581 347875854 /nfs/dbraw/zinc/87/58/54/347875854.db2.gz BUINKXSBYMDLTH-UHFFFAOYSA-N 0 0 201.225 2.189 10 0 BEAERN COC(=O)c1ccc2c(c1C)CCCN2 ZINC000616569910 347878445 /nfs/dbraw/zinc/87/84/45/347878445.db2.gz ANQMEVZUHUPQPW-UHFFFAOYSA-N 0 0 205.257 2.140 10 0 BEAERN Cn1c(CN2CCCCCC2)nnc1C1CC1 ZINC000195006429 259398581 /nfs/dbraw/zinc/39/85/81/259398581.db2.gz IDNDGQFAYHSIJE-UHFFFAOYSA-N 0 0 234.347 2.069 10 0 BEAERN Cc1ccccc1SC(C)(C)C(N)=O ZINC000033433144 179315226 /nfs/dbraw/zinc/31/52/26/179315226.db2.gz AMGAGMZYWYTDOK-UHFFFAOYSA-N 0 0 209.314 2.351 10 0 BEAERN Cc1ccccc1Sc1nccnc1C(=N)N ZINC000054381181 179315998 /nfs/dbraw/zinc/31/59/98/179315998.db2.gz WBLJEQDIHGJRHK-UHFFFAOYSA-N 0 0 244.323 2.220 10 0 BEAERN Cn1cc(C(=O)c2ccc(Cl)cc2)cn1 ZINC000036944453 347976325 /nfs/dbraw/zinc/97/63/25/347976325.db2.gz UCIXQJGCTAZKII-UHFFFAOYSA-N 0 0 220.659 2.305 10 0 BEAERN O=C(c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000036941575 347975135 /nfs/dbraw/zinc/97/51/35/347975135.db2.gz ZCYDIFSXBUTJHD-JTQLQIEISA-N 0 0 212.195 2.327 10 0 BEAERN Cc1ccccc1[C@@H](C)SC[C@@H](O)CO ZINC000121792409 179323269 /nfs/dbraw/zinc/32/32/69/179323269.db2.gz CCOJYHCFCXXKRE-MNOVXSKESA-N 0 0 226.341 2.142 10 0 BEAERN Oc1ccc(C2N=NC(=S)N2)cc1Cl ZINC000036948341 347987596 /nfs/dbraw/zinc/98/75/96/347987596.db2.gz YQOKAHMZRZQUJC-UHFFFAOYSA-N 0 0 227.676 2.119 10 0 BEAERN Nc1cc(Cn2ccnc2)ccc1Cl ZINC000036964719 347990560 /nfs/dbraw/zinc/99/05/60/347990560.db2.gz DNEFJBYYGHFGLL-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)c1cn(C)cn1 ZINC000178148039 179337402 /nfs/dbraw/zinc/33/74/02/179337402.db2.gz YSKIPEMPDMHGJP-NSHDSACASA-N 0 0 243.310 2.220 10 0 BEAERN Cc1ccccc1[C@@H]1Cc2c(cnn2C)[C@@H](O)C1 ZINC000072415822 179331478 /nfs/dbraw/zinc/33/14/78/179331478.db2.gz RTOMKWXQKYFGHP-ABAIWWIYSA-N 0 0 242.322 2.492 10 0 BEAERN COc1cc(Cl)c(OC)c2c1NCC2 ZINC000037116733 348018995 /nfs/dbraw/zinc/01/89/95/348018995.db2.gz KMWDMCXSIXVOLE-UHFFFAOYSA-N 0 0 213.664 2.325 10 0 BEAERN COc1nc(NCc2ccccc2)ccc1N ZINC000037066823 348019153 /nfs/dbraw/zinc/01/91/53/348019153.db2.gz DTUCOIWSKFRMCY-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN CCC[C@]1(c2ccccc2)CCC(=O)NC1=O ZINC000196780465 348025316 /nfs/dbraw/zinc/02/53/16/348025316.db2.gz CXDAXBRLSATHRS-CQSZACIVSA-N 0 0 231.295 2.161 10 0 BEAERN O=C(NC[C@@H]1CCNc2ccccc21)C1CC1 ZINC000616570927 348078019 /nfs/dbraw/zinc/07/80/19/348078019.db2.gz ICYKYXQUVIHVBK-NSHDSACASA-N 0 0 230.311 2.112 10 0 BEAERN CC(C)OC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000127439824 323174160 /nfs/dbraw/zinc/17/41/60/323174160.db2.gz PSOYLPSRBNQCNN-IUCAKERBSA-N 0 0 217.334 2.357 10 0 BEAERN Cc1ccccc1[C@H](N)c1nccs1 ZINC000019930097 179343638 /nfs/dbraw/zinc/34/36/38/179343638.db2.gz BKGLWXIROQAGGO-JTQLQIEISA-N 0 0 204.298 2.500 10 0 BEAERN Cc1ccccc1[C@H]1C=CS(=O)(=O)C1 ZINC000040173756 179346304 /nfs/dbraw/zinc/34/63/04/179346304.db2.gz VFJMLTGQTFGWNW-JTQLQIEISA-N 0 0 208.282 2.021 10 0 BEAERN Nc1ccc(SCc2cscn2)nc1 ZINC000037191670 348060497 /nfs/dbraw/zinc/06/04/97/348060497.db2.gz WVHAFACSJCXDGX-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN Cc1ccccc1[C@](C)([NH2+]CC1CC1)C(=O)[O-] ZINC000037967304 179351286 /nfs/dbraw/zinc/35/12/86/179351286.db2.gz JIEFRHCIKCUCNY-AWEZNQCLSA-N 0 0 233.311 2.294 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12C[C@@H]1CCCC[C@@H]12 ZINC000669382153 537998209 /nfs/dbraw/zinc/99/82/09/537998209.db2.gz AOIMETFHBNTZHK-UKJIMTQDSA-N 0 0 224.300 2.287 10 0 BEAERN CN(C)C(=O)c1cc2cc(N)cc(Cl)c2[nH]1 ZINC000203935375 348240042 /nfs/dbraw/zinc/24/00/42/348240042.db2.gz ISBNSKWKQPRQCN-UHFFFAOYSA-N 0 0 237.690 2.105 10 0 BEAERN FC(F)c1cc2ncnn2c(Cl)c1 ZINC000725245464 538000989 /nfs/dbraw/zinc/00/09/89/538000989.db2.gz IUEHUYXLWJFMII-UHFFFAOYSA-N 0 0 203.579 2.320 10 0 BEAERN Cc1cccnc1COC(=O)[C@@H]1CCCO[C@H]1C ZINC000192107702 179383739 /nfs/dbraw/zinc/38/37/39/179383739.db2.gz PYFKSOZUXIGMCB-NWDGAFQWSA-N 0 0 249.310 2.248 10 0 BEAERN Cc1cccnc1N[C@H](C)[C@@H]1CCCO1 ZINC000051040924 179395216 /nfs/dbraw/zinc/39/52/16/179395216.db2.gz LKMVDVKBHJJDOG-MNOVXSKESA-N 0 0 206.289 2.369 10 0 BEAERN CC[C@@H]1CC[C@@]2(C1)O[C@@]2(CC)C(=O)OC ZINC000669382796 538001878 /nfs/dbraw/zinc/00/18/78/538001878.db2.gz DGVXSQYNWURHSL-USWWRNFRSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)[C@H](O)Cc1nc(CC(C)(C)C)no1 ZINC000082675249 348324066 /nfs/dbraw/zinc/32/40/66/348324066.db2.gz OHXNCJNBOGTBEX-SECBINFHSA-N 0 0 226.320 2.218 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12CCC21CCCC1 ZINC000669382811 538002286 /nfs/dbraw/zinc/00/22/86/538002286.db2.gz DNHURGCEDJWCCA-QWHCGFSZSA-N 0 0 224.300 2.431 10 0 BEAERN CC[C@@H]1CC[C@@]2(C1)O[C@]2(CC)C(=O)OC ZINC000669382794 538002297 /nfs/dbraw/zinc/00/22/97/538002297.db2.gz DGVXSQYNWURHSL-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@H]1CCCN(C2N=NC(=S)S2)[C@H]1C ZINC000251589312 362889463 /nfs/dbraw/zinc/88/94/63/362889463.db2.gz BHBBWQQUOVESQN-BQBZGAKWSA-N 0 0 229.374 2.452 10 0 BEAERN CC[C@@H]1CC[C@]2(C1)O[C@]2(CC)C(=O)OC ZINC000669382797 538002211 /nfs/dbraw/zinc/00/22/11/538002211.db2.gz DGVXSQYNWURHSL-YUSALJHKSA-N 0 0 212.289 2.287 10 0 BEAERN COC[C@](C)(O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251705871 362901193 /nfs/dbraw/zinc/90/11/93/362901193.db2.gz BKUZCEIGXDRALE-QCNOEVLYSA-N 0 0 200.322 2.456 10 0 BEAERN C[C@H]1SCCC[C@]1(O)Cc1ccoc1 ZINC000130486331 362921462 /nfs/dbraw/zinc/92/14/62/362921462.db2.gz AVGGDDNBADMVMR-KOLCDFICSA-N 0 0 212.314 2.469 10 0 BEAERN C[C@@H]1SCCC[C@]1(O)Cc1ccoc1 ZINC000130486517 362920789 /nfs/dbraw/zinc/92/07/89/362920789.db2.gz AVGGDDNBADMVMR-ONGXEEELSA-N 0 0 212.314 2.469 10 0 BEAERN Cc1ccnc([C@@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072187577 179467111 /nfs/dbraw/zinc/46/71/11/179467111.db2.gz KKXFTCRHBTWZEZ-LBPRGKRZSA-N 0 0 245.326 2.249 10 0 BEAERN Cc1cncc(C(=O)[C@@H]2CSCCS2)c1 ZINC000227949387 348481974 /nfs/dbraw/zinc/48/19/74/348481974.db2.gz HJBBIXJTSIEMKW-JTQLQIEISA-N 0 0 239.365 2.421 10 0 BEAERN Cc1noc2nc(C(C)(C)C)cc(NN)c12 ZINC000669383054 538006617 /nfs/dbraw/zinc/00/66/17/538006617.db2.gz FVJBQPCWNBPOMN-UHFFFAOYSA-N 0 0 220.276 2.114 10 0 BEAERN Cc1ccsc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000076363181 179536403 /nfs/dbraw/zinc/53/64/03/179536403.db2.gz YKMPCJKSADEHOC-NXEZZACHSA-N 0 0 239.340 2.306 10 0 BEAERN CC[C@@]1(C)O[C@@]1(CC(C)C)C(=O)OC ZINC000669383405 538008532 /nfs/dbraw/zinc/00/85/32/538008532.db2.gz HLXDANZFIMHIMA-MNOVXSKESA-N 0 0 200.278 2.143 10 0 BEAERN COCc1nc2cc(C)c(C)c(Cl)n2n1 ZINC000725246554 538007096 /nfs/dbraw/zinc/00/70/96/538007096.db2.gz PJQMTHFZNLLMLA-UHFFFAOYSA-N 0 0 225.679 2.146 10 0 BEAERN CCc1cc2nc(COC)nn2c(Cl)c1 ZINC000725246852 538008236 /nfs/dbraw/zinc/00/82/36/538008236.db2.gz YUTPSPDDNZQNPV-UHFFFAOYSA-N 0 0 225.679 2.092 10 0 BEAERN Cc1cc(C=O)c(OC(C)C)c(C=O)c1 ZINC000669383506 538007872 /nfs/dbraw/zinc/00/78/72/538007872.db2.gz ICBXZPQRRQRFRO-UHFFFAOYSA-N 0 0 206.241 2.407 10 0 BEAERN CCOC(=O)[C@@]1(CC)O[C@]12CCCSCC2 ZINC000669383522 538008000 /nfs/dbraw/zinc/00/80/00/538008000.db2.gz IDZYJADWNSKADD-NWDGAFQWSA-N 0 0 244.356 2.384 10 0 BEAERN COC(=O)[C@@H](N)c1c(Cl)cccc1Cl ZINC000037459753 348614556 /nfs/dbraw/zinc/61/45/56/348614556.db2.gz MCAFQQRDOMKZEG-QMMMGPOBSA-N 0 0 234.082 2.166 10 0 BEAERN Cc1cnc(C(=O)OC(C)(C)C)c(C)n1 ZINC000238498078 179577840 /nfs/dbraw/zinc/57/78/40/179577840.db2.gz PEWQIOZIRLLQAE-UHFFFAOYSA-N 0 0 208.261 2.049 10 0 BEAERN Cc1csc(S[C@@H]2CCC[C@H]2O)n1 ZINC000037490326 348622910 /nfs/dbraw/zinc/62/29/10/348622910.db2.gz MVNANTIYUQZANY-HTQZYQBOSA-N 0 0 215.343 2.457 10 0 BEAERN O[C@H]1CCCC[C@@H]1Sc1ccccn1 ZINC000037491044 348623129 /nfs/dbraw/zinc/62/31/29/348623129.db2.gz DRFVRSLJSUBFJC-UWVGGRQHSA-N 0 0 209.314 2.477 10 0 BEAERN CC(=O)N1CCc2c1cccc2N1CCCC1 ZINC000616216430 348625586 /nfs/dbraw/zinc/62/55/86/348625586.db2.gz PHUSCVYPLPKGHZ-UHFFFAOYSA-N 0 0 230.311 2.196 10 0 BEAERN OCc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000054857120 348715604 /nfs/dbraw/zinc/71/56/04/348715604.db2.gz HHGHFYIMQNLWIE-UHFFFAOYSA-N 0 0 220.659 2.289 10 0 BEAERN Cc1cnc([C@@H](C)N[C@@H](C)COC(C)C)o1 ZINC000336737467 179647772 /nfs/dbraw/zinc/64/77/72/179647772.db2.gz JKUVPPAHKFYRJL-GXSJLCMTSA-N 0 0 226.320 2.447 10 0 BEAERN CC/C=C/c1cc(O)cc(O)c1C(=O)OC ZINC000206884397 348703827 /nfs/dbraw/zinc/70/38/27/348703827.db2.gz HTVIELKINVZVTE-SNAWJCMRSA-N 0 0 222.240 2.308 10 0 BEAERN CCOC(=O)[C@H]1O[C@]1(C)Cc1ccsc1 ZINC000669383704 538011234 /nfs/dbraw/zinc/01/12/34/538011234.db2.gz VIHXYWQXRHCZIW-MWLCHTKSSA-N 0 0 226.297 2.011 10 0 BEAERN Cc1cnc([C@H](C)NCc2nccn2C)s1 ZINC000125187250 179654456 /nfs/dbraw/zinc/65/44/56/179654456.db2.gz NFNVFYLQNYEHFR-VIFPVBQESA-N 0 0 236.344 2.036 10 0 BEAERN COC(=O)[C@@H]1O[C@]1(C)CC1CCCCC1 ZINC000669383680 538011379 /nfs/dbraw/zinc/01/13/79/538011379.db2.gz VERZOYOFUSGDSP-CMPLNLGQSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cc(=O)c2c(CC(C)C)noc2[nH]1 ZINC000669384084 538013602 /nfs/dbraw/zinc/01/36/02/538013602.db2.gz NMPKFXLOULYJCL-UHFFFAOYSA-N 0 0 206.245 2.435 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCCC[C@H]2C ZINC000669383897 538012178 /nfs/dbraw/zinc/01/21/78/538012178.db2.gz XHBPZFNSIIJAGK-IEBDPFPHSA-N 0 0 232.707 2.464 10 0 BEAERN CN[C@H](C)c1nc(CCc2ccccc2)no1 ZINC000054053272 348849639 /nfs/dbraw/zinc/84/96/39/348849639.db2.gz GSXQQVMBMRLVBY-SNVBAGLBSA-N 0 0 231.299 2.135 10 0 BEAERN CCCC1(CNC(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000120359898 168596891 /nfs/dbraw/zinc/59/68/91/168596891.db2.gz KCDZCDCPTMXWQR-UWVGGRQHSA-N 0 0 210.321 2.274 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]1(C)Cc1ccsc1 ZINC000669384435 538014889 /nfs/dbraw/zinc/01/48/89/538014889.db2.gz VZOAIAXPUOJFFQ-NEPJUHHUSA-N 0 0 240.324 2.401 10 0 BEAERN Cc1cc(N)c2c(CC(C)C)noc2n1 ZINC000669384448 538015530 /nfs/dbraw/zinc/01/55/30/538015530.db2.gz WHBPKZYZQLLVLS-UHFFFAOYSA-N 0 0 205.261 2.312 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC21CCCC1 ZINC000669384606 538017321 /nfs/dbraw/zinc/01/73/21/538017321.db2.gz YRGXWKKNHGFUBX-QWRGUYRKSA-N 0 0 230.691 2.218 10 0 BEAERN Cc1cc2ncnn2c(Br)c1C ZINC000725248348 538016294 /nfs/dbraw/zinc/01/62/94/538016294.db2.gz RVUHQZMOJWYCRE-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]12CCC21CCCCC1 ZINC000669384589 538016454 /nfs/dbraw/zinc/01/64/54/538016454.db2.gz YLBSDUYLPDJJRQ-MFKMUULPSA-N 0 0 224.300 2.431 10 0 BEAERN Cc1nc(-c2cccc(C)c2)oc1CO ZINC000116504965 348975396 /nfs/dbraw/zinc/97/53/96/348975396.db2.gz PESNUNAHBYLDOW-UHFFFAOYSA-N 0 0 203.241 2.451 10 0 BEAERN CCO[C@]1(C(N)=S)CCC[C@H](C)C1 ZINC000159159322 348981354 /nfs/dbraw/zinc/98/13/54/348981354.db2.gz MOXPIIIYKCIRMO-WCBMZHEXSA-N 0 0 201.335 2.258 10 0 BEAERN CC[C@H](C)[C@H](C)n1nc(N)nc1Br ZINC000725249250 538019344 /nfs/dbraw/zinc/01/93/44/538019344.db2.gz LHHFIONJZPWFTR-WDSKDSINSA-N 0 0 247.140 2.230 10 0 BEAERN CCOC(CC(=O)[C@@H]1C[C@H]1C)OCC ZINC000321397488 538019328 /nfs/dbraw/zinc/01/93/28/538019328.db2.gz FAGOQCBPRFJTLZ-RKDXNWHRSA-N 0 0 200.278 2.001 10 0 BEAERN Br/C=C/CO[C@@H]1CCCCO1 ZINC000135782399 348990889 /nfs/dbraw/zinc/99/08/89/348990889.db2.gz QWWGRNKINSJVIQ-RYEJSQLPSA-N 0 0 221.094 2.438 10 0 BEAERN C[C@H]1CCC[C@@H](n2ccc(=O)c(N)c2)C1 ZINC000725249178 538019565 /nfs/dbraw/zinc/01/95/65/538019565.db2.gz VRVKFRNXANXZIQ-VHSXEESVSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@@H]1CCCC[C@@H]1n1cc(N)ccc1=O ZINC000725249254 538019698 /nfs/dbraw/zinc/01/96/98/538019698.db2.gz OCTALNHGXQOXRG-KOLCDFICSA-N 0 0 206.289 2.182 10 0 BEAERN CC[C@H](C)[C@H](C)n1c(C)c(N)ccc1=O ZINC000725249286 538019892 /nfs/dbraw/zinc/01/98/92/538019892.db2.gz ZRFUTHMRUNEKGM-IUCAKERBSA-N 0 0 208.305 2.346 10 0 BEAERN C[C@H]1CCCC[C@H]1n1cccc(N)c1=O ZINC000725249271 538020194 /nfs/dbraw/zinc/02/01/94/538020194.db2.gz VPIOONZCQCJKDP-GXSJLCMTSA-N 0 0 206.289 2.182 10 0 BEAERN CCCN1C(=S)N=NC1[C@@H](C)C1CC1 ZINC000163713377 538022021 /nfs/dbraw/zinc/02/20/21/538022021.db2.gz SAZZRBJROQPFDM-ZETCQYMHSA-N 0 0 211.334 2.490 10 0 BEAERN Cc1cnn(CCNc2ncccc2Cl)c1 ZINC000228766064 179741259 /nfs/dbraw/zinc/74/12/59/179741259.db2.gz PTOGTENWAKUIJE-UHFFFAOYSA-N 0 0 236.706 2.352 10 0 BEAERN Cc1cnn(CCNc2cccc(F)c2)c1 ZINC000053534663 179741278 /nfs/dbraw/zinc/74/12/78/179741278.db2.gz ZQVYTTATFHRPPY-UHFFFAOYSA-N 0 0 219.263 2.443 10 0 BEAERN CC(=O)c1cc(N)cc(OC(F)(F)F)c1 ZINC000616576000 349094893 /nfs/dbraw/zinc/09/48/93/349094893.db2.gz KIVJJYULOAXUNB-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN CCOc1cccc(OC(F)(F)F)c1C(N)=O ZINC000616576242 349100861 /nfs/dbraw/zinc/10/08/61/349100861.db2.gz LATMKUQQNNBFTL-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Nc1cccnc1OCc1ccc(F)cc1 ZINC000616578797 349126935 /nfs/dbraw/zinc/12/69/35/349126935.db2.gz QFKMVDCJDXQKHC-UHFFFAOYSA-N 0 0 218.231 2.382 10 0 BEAERN CSCC(=O)N1CCCc2ccc(F)cc21 ZINC000058498584 349181144 /nfs/dbraw/zinc/18/11/44/349181144.db2.gz PKHQCWGDFRHBAD-UHFFFAOYSA-N 0 0 239.315 2.468 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000333769454 538029133 /nfs/dbraw/zinc/02/91/33/538029133.db2.gz QZNQGBBWUFDONO-CHWFTXMASA-N 0 0 249.314 2.142 10 0 BEAERN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000252589792 349200769 /nfs/dbraw/zinc/20/07/69/349200769.db2.gz CEKLZWZHAAEGEI-RAIGVLPGSA-N 0 0 245.322 2.121 10 0 BEAERN Cc1nc(-c2ccc3c(c2)CCCN3)n[nH]1 ZINC000048630564 179810222 /nfs/dbraw/zinc/81/02/22/179810222.db2.gz JKXYDMROHMCDPN-UHFFFAOYSA-N 0 0 214.272 2.138 10 0 BEAERN CC(C)C(=O)[C@H]1CNc2ccccc2O1 ZINC000167871848 349288207 /nfs/dbraw/zinc/28/82/07/349288207.db2.gz BKQFHJLBZSBWMI-LLVKDONJSA-N 0 0 205.257 2.085 10 0 BEAERN O=c1[nH]c2c(c3ccccc31)Cc1cccnc1-2 ZINC000199525553 349246834 /nfs/dbraw/zinc/24/68/34/349246834.db2.gz XWFOBOOVIDUGTM-UHFFFAOYSA-N 0 0 234.258 2.494 10 0 BEAERN CCc1cc(OC(F)(F)F)cc(C(N)=O)c1 ZINC000616580351 349256814 /nfs/dbraw/zinc/25/68/14/349256814.db2.gz ZJCRHNGUWWAUJQ-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN COC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000034633172 349259799 /nfs/dbraw/zinc/25/97/99/349259799.db2.gz VXVMGLNJXOSBDD-UHFFFAOYSA-N 0 0 248.065 2.105 10 0 BEAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1C[C@@H]1C ZINC000155488577 179832441 /nfs/dbraw/zinc/83/24/41/179832441.db2.gz CWCQWMCIEFDJQW-VAOFZXAKSA-N 0 0 235.331 2.045 10 0 BEAERN Cc1nc2ccccc2n1[C@@H]1COC[C@H]1F ZINC000616581099 349261710 /nfs/dbraw/zinc/26/17/10/349261710.db2.gz DWKGJYFUHKYVJT-BXKDBHETSA-N 0 0 220.247 2.254 10 0 BEAERN Cc1ccc(N[C@@H]2COC[C@H]2F)cc1C ZINC000616581110 349261939 /nfs/dbraw/zinc/26/19/39/349261939.db2.gz FTUOEDAFORRTQU-VXGBXAGGSA-N 0 0 209.264 2.452 10 0 BEAERN CCc1ccc(N[C@@H]2COC[C@H]2F)cc1 ZINC000616581541 349264412 /nfs/dbraw/zinc/26/44/12/349264412.db2.gz YYHAYMXZPQGFAV-VXGBXAGGSA-N 0 0 209.264 2.398 10 0 BEAERN CCSc1ncc(COC(C)C)c(N)n1 ZINC000309000607 349267814 /nfs/dbraw/zinc/26/78/14/349267814.db2.gz RNYRSIRQGUCUIQ-UHFFFAOYSA-N 0 0 227.333 2.096 10 0 BEAERN Cc1n[nH]cc1-c1nc2ccc(N)cc2o1 ZINC000070630650 179841192 /nfs/dbraw/zinc/84/11/92/179841192.db2.gz MZVVKYFNMVLOMP-UHFFFAOYSA-N 0 0 214.228 2.109 10 0 BEAERN Cc1[nH]nc2ncc(C(=O)N[C@H](C)C(C)C)cc12 ZINC000047477255 179841465 /nfs/dbraw/zinc/84/14/65/179841465.db2.gz RSEKDEVQMYRKTF-MRVPVSSYSA-N 0 0 246.314 2.041 10 0 BEAERN CCCc1noc(-c2cc3n(n2)CCCC3)n1 ZINC000333869840 538037252 /nfs/dbraw/zinc/03/72/52/538037252.db2.gz UFZREKHHJSLSSB-UHFFFAOYSA-N 0 0 232.287 2.222 10 0 BEAERN [NH3+][C@@H](c1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC000725253499 538038181 /nfs/dbraw/zinc/03/81/81/538038181.db2.gz NFZDGLLAYQSITL-SECBINFHSA-N 0 0 240.328 2.421 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000422035743 192414078 /nfs/dbraw/zinc/41/40/78/192414078.db2.gz PDDFKEGREHCRJG-SDDRHHMPSA-N 0 0 227.348 2.040 10 0 BEAERN Cc1nc(C(F)(F)F)cc2n[nH]cc21 ZINC000036437228 179897187 /nfs/dbraw/zinc/89/71/87/179897187.db2.gz BFWIZFWKAQVIFC-UHFFFAOYSA-N 0 0 201.151 2.285 10 0 BEAERN CC(C)(C)[C@H]1CNc2ccccc2N1C(N)=O ZINC000616584983 349363625 /nfs/dbraw/zinc/36/36/25/349363625.db2.gz OUHZDGGMUPIWHC-LLVKDONJSA-N 0 0 233.315 2.412 10 0 BEAERN Cc1nc(C)c([C@H](C)Nc2ncc(N)cn2)s1 ZINC000049533780 179920074 /nfs/dbraw/zinc/92/00/74/179920074.db2.gz VELQVXTVBBJSQP-ZETCQYMHSA-N 0 0 249.343 2.305 10 0 BEAERN CC(C)(C)[C@@H]1C[C@@H]2CC[C@@H](C(=O)[O-])C[N@@H+]2C1 ZINC000725254208 538044143 /nfs/dbraw/zinc/04/41/43/538044143.db2.gz UOCYFYVGKKMASA-MXWKQRLJSA-N 0 0 225.332 2.218 10 0 BEAERN CC(=O)N1CC[C@@H](n2ccnc2)c2ccccc21 ZINC000616587441 349426494 /nfs/dbraw/zinc/42/64/94/349426494.db2.gz QSMTZEJBBYNNFF-CYBMUJFWSA-N 0 0 241.294 2.229 10 0 BEAERN C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000253062083 490270689 /nfs/dbraw/zinc/27/06/89/490270689.db2.gz FOFKARKPGGGPGK-NGDQXYMTSA-N 0 0 239.384 2.385 10 0 BEAERN CCCn1nc(C(=O)OC)c([C@H](C)CC)c1N ZINC000725254385 538045682 /nfs/dbraw/zinc/04/56/82/538045682.db2.gz MDFTYVOTMKLRHI-MRVPVSSYSA-N 0 0 239.319 2.175 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)C2=COCCC2)o1 ZINC000068414357 191002662 /nfs/dbraw/zinc/00/26/62/191002662.db2.gz CAXIEBZWNOWKNW-JTQLQIEISA-N 0 0 235.283 2.460 10 0 BEAERN CC(C)(C)[C@@H]1C[C@H]2CC[C@@H](C(=O)[O-])C[N@@H+]2C1 ZINC000725254206 538043819 /nfs/dbraw/zinc/04/38/19/538043819.db2.gz UOCYFYVGKKMASA-GMTAPVOTSA-N 0 0 225.332 2.218 10 0 BEAERN COc1ccccc1[C@@H](O)P(=O)(OC)OC ZINC000217799083 350073406 /nfs/dbraw/zinc/07/34/06/350073406.db2.gz UPJVDQVHFSKCRG-JTQLQIEISA-N 0 0 246.199 2.172 10 0 BEAERN Cc1nc(F)c([C@H](C)O)cc1Br ZINC000217082586 350037155 /nfs/dbraw/zinc/03/71/55/350037155.db2.gz NEGFHEMVJPKMPC-YFKPBYRVSA-N 0 0 234.068 2.345 10 0 BEAERN COc1ccccc1CC[C@@H](O)C1CC1 ZINC000070650253 350038980 /nfs/dbraw/zinc/03/89/80/350038980.db2.gz ZYYYVLICQVOPBV-GFCCVEGCSA-N 0 0 206.285 2.399 10 0 BEAERN Cn1ccnc1-c1ccc(Br)o1 ZINC000077904023 191006756 /nfs/dbraw/zinc/00/67/56/191006756.db2.gz YTOYNGHIXYTABU-UHFFFAOYSA-N 0 0 227.061 2.443 10 0 BEAERN COc1ccc(O)c(/C=C(\C)[N+](=O)[O-])c1 ZINC000083312572 191007411 /nfs/dbraw/zinc/00/74/11/191007411.db2.gz BQEJQPOSCPXSJC-FNORWQNLSA-N 0 0 209.201 2.038 10 0 BEAERN Cc1nc(CNc2ccc(C(N)=O)cc2)oc1C ZINC000037909239 179976003 /nfs/dbraw/zinc/97/60/03/179976003.db2.gz LGCMPUDDZKEYAV-UHFFFAOYSA-N 0 0 245.282 2.002 10 0 BEAERN O=C1CCCc2nc([C@@H]3CCOC3)sc21 ZINC000051691363 350049608 /nfs/dbraw/zinc/04/96/08/350049608.db2.gz ZZLWSHKLGGYIOM-SSDOTTSWSA-N 0 0 223.297 2.166 10 0 BEAERN COc1ccc(CC[C@H](O)C2CC2)cc1 ZINC000070778878 350056159 /nfs/dbraw/zinc/05/61/59/350056159.db2.gz XDWCULPYLPVQIF-ZDUSSCGKSA-N 0 0 206.285 2.399 10 0 BEAERN Oc1ccccc1-n1nc2ccccc2n1 ZINC000022013577 350066874 /nfs/dbraw/zinc/06/68/74/350066874.db2.gz FJGQBLRYBUAASW-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN CON(C)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000217731482 350070164 /nfs/dbraw/zinc/07/01/64/350070164.db2.gz CTXVIOGMXDUYDV-CMDGGOBGSA-N 0 0 223.247 2.249 10 0 BEAERN CC(C)(C)OC(=O)C=C1CCC(=O)CC1 ZINC000217733501 350070230 /nfs/dbraw/zinc/07/02/30/350070230.db2.gz MEKUEIZAHYNXJR-UHFFFAOYSA-N 0 0 210.273 2.398 10 0 BEAERN Cc1cc(Br)nn1C1CC1 ZINC000217724577 350070578 /nfs/dbraw/zinc/07/05/78/350070578.db2.gz PIPDDLCJYWJRNV-UHFFFAOYSA-N 0 0 201.067 2.289 10 0 BEAERN Cc1nc(N)cc(-c2ccc(F)cc2F)n1 ZINC000071522796 179999568 /nfs/dbraw/zinc/99/95/68/179999568.db2.gz NTBMOHINUBXKKE-UHFFFAOYSA-N 0 0 221.210 2.312 10 0 BEAERN Cc1nc(N)sc1S[C@H]1CCC[C@H]1O ZINC000037690548 180000451 /nfs/dbraw/zinc/00/04/51/180000451.db2.gz PWAYKKZQHNMLKR-RQJHMYQMSA-N 0 0 230.358 2.039 10 0 BEAERN Cc1nc2[nH]ccc2c(NCC2CC2)n1 ZINC000027902006 180018030 /nfs/dbraw/zinc/01/80/30/180018030.db2.gz YFLOEPOKNNXNNP-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN Cc1nc2n[nH]cc2c(NCc2ccccc2)n1 ZINC000008559807 180019887 /nfs/dbraw/zinc/01/98/87/180019887.db2.gz VZVNIASSICOCNM-UHFFFAOYSA-N 0 0 239.282 2.273 10 0 BEAERN Cc1nc(N[C@@H](C)[C@@H](C)CO)sc1C ZINC000122083646 180022769 /nfs/dbraw/zinc/02/27/69/180022769.db2.gz DGVMKXUCNVVHJM-BQBZGAKWSA-N 0 0 214.334 2.189 10 0 BEAERN Cc1nc(Cl)c2cncc(Cl)n12 ZINC000089195436 179987505 /nfs/dbraw/zinc/98/75/05/179987505.db2.gz PPFOOSGXZXCUMA-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN Cc1nc2c(Br)cc(F)cn2c1N ZINC000082693939 180059761 /nfs/dbraw/zinc/05/97/61/180059761.db2.gz XRVASXMPKYXNIW-UHFFFAOYSA-N 0 0 244.067 2.127 10 0 BEAERN CON(C)C(=O)c1cncc(C(C)(C)C)c1 ZINC000309182075 350121468 /nfs/dbraw/zinc/12/14/68/350121468.db2.gz DIPSIIQYRPXPSL-UHFFFAOYSA-N 0 0 222.288 2.013 10 0 BEAERN CC(C)(C)OC(=O)n1cnc2c1cccc2N ZINC000089194967 191020990 /nfs/dbraw/zinc/02/09/90/191020990.db2.gz KMNMNTDCWQCPOO-UHFFFAOYSA-N 0 0 233.271 2.402 10 0 BEAERN C/C=C/CSCc1nnc(CC)n1C ZINC000091029718 191024994 /nfs/dbraw/zinc/02/49/94/191024994.db2.gz PWFDAUZMMBXTOH-GQCTYLIASA-N 0 0 211.334 2.187 10 0 BEAERN Cc1nc2cc(Cl)ccn2c1[C@@H](C)O ZINC000074376627 180079351 /nfs/dbraw/zinc/07/93/51/180079351.db2.gz CYTAMXKJSFNDRL-SSDOTTSWSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nc2cc(SCCO)c(N)cc2s1 ZINC000036335914 180084447 /nfs/dbraw/zinc/08/44/47/180084447.db2.gz OCKZUKINSXGEFD-UHFFFAOYSA-N 0 0 240.353 2.271 10 0 BEAERN Cc1nc2cc([S@](C)=O)ccc2s1 ZINC000045236246 180087227 /nfs/dbraw/zinc/08/72/27/180087227.db2.gz HSITZLZYYCYZDX-CYBMUJFWSA-N 0 0 211.311 2.342 10 0 BEAERN CC[C@H](c1ccc(Cl)cc1)S(N)(=O)=O ZINC000050350374 538056662 /nfs/dbraw/zinc/05/66/62/538056662.db2.gz DDHAHKGHCFZDIH-SECBINFHSA-N 0 0 233.720 2.080 10 0 BEAERN O=Cc1onc2cccc(Br)c12 ZINC000725255807 538053288 /nfs/dbraw/zinc/05/32/88/538053288.db2.gz BHIJAVPVGUVVAR-UHFFFAOYSA-N 0 0 226.029 2.403 10 0 BEAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccco1 ZINC000090227000 180111244 /nfs/dbraw/zinc/11/12/44/180111244.db2.gz IZARBMYDVIVBSV-GXSJLCMTSA-N 0 0 246.314 2.365 10 0 BEAERN Cc1nc2nc(Cl)ccn2c1Br ZINC000096964372 180114607 /nfs/dbraw/zinc/11/46/07/180114607.db2.gz HIQDPGCKEPLLMF-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Cc1nc2ccccc2n1[C@H](C)C(=O)NC1CC1 ZINC000095082495 180102524 /nfs/dbraw/zinc/10/25/24/180102524.db2.gz FILYTLWECGJBMY-SECBINFHSA-N 0 0 243.310 2.184 10 0 BEAERN Cc1[nH+]cc(C(=O)[O-])n1CCc1ccccc1 ZINC000077600958 180135054 /nfs/dbraw/zinc/13/50/54/180135054.db2.gz CRFSIAJCZWFCKS-UHFFFAOYSA-N 0 0 230.267 2.132 10 0 BEAERN Cc1ncc(C(=O)N[C@H]2C[C@H]2C)c(C(C)C)n1 ZINC000172138487 180136052 /nfs/dbraw/zinc/13/60/52/180136052.db2.gz FMLRBMPTZBWVPT-KCJUWKMLSA-N 0 0 233.315 2.047 10 0 BEAERN Cc1nc2c(Br)cnn2c(C)c1C ZINC000211883110 538065850 /nfs/dbraw/zinc/06/58/50/538065850.db2.gz QIHYREWBYYZNSE-UHFFFAOYSA-N 0 0 240.104 2.417 10 0 BEAERN Cc1nc(-c2cnc(C)nc2N)sc1C ZINC000062329623 180121236 /nfs/dbraw/zinc/12/12/36/180121236.db2.gz ZWRUAGKDNKEWQV-UHFFFAOYSA-N 0 0 220.301 2.108 10 0 BEAERN CC(C)(C)c1ccc2oc(N)c(C=O)c(=O)c2c1 ZINC000100375940 191062983 /nfs/dbraw/zinc/06/29/83/191062983.db2.gz RTJXYKXORXPRQW-UHFFFAOYSA-N 0 0 245.278 2.485 10 0 BEAERN CCOC(=O)C(O)=CC(=O)c1ccc(C)c(C)c1 ZINC000100443847 191063193 /nfs/dbraw/zinc/06/31/93/191063193.db2.gz PUGQIIOTHJFXBQ-UHFFFAOYSA-N 0 0 248.278 2.008 10 0 BEAERN Cc1ncc2c(Cl)ncc(Br)n12 ZINC000089195444 180176253 /nfs/dbraw/zinc/17/62/53/180176253.db2.gz AVSJFYZXFLXERX-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC000095705135 180177126 /nfs/dbraw/zinc/17/71/26/180177126.db2.gz GUYWJUSKLIGOJK-UHFFFAOYSA-N 0 0 249.314 2.078 10 0 BEAERN Cc1nccc(CNCc2c(F)cccc2F)n1 ZINC000037997728 180189311 /nfs/dbraw/zinc/18/93/11/180189311.db2.gz SXVPUCVVXKIPNL-UHFFFAOYSA-N 0 0 249.264 2.353 10 0 BEAERN O=C(c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000062775521 350226694 /nfs/dbraw/zinc/22/66/94/350226694.db2.gz LXAGVSZFCMTKOX-UHFFFAOYSA-N 0 0 206.632 2.294 10 0 BEAERN Clc1nccc(Sc2ncccn2)n1 ZINC000051850474 350228124 /nfs/dbraw/zinc/22/81/24/350228124.db2.gz TVWJRDSLJVAWIJ-UHFFFAOYSA-N 0 0 224.676 2.071 10 0 BEAERN CC(=O)CCN1CCO[C@H](c2ccsc2)C1 ZINC000125593428 191080707 /nfs/dbraw/zinc/08/07/07/191080707.db2.gz PIBAIHMJAVSSPG-LBPRGKRZSA-N 0 0 239.340 2.101 10 0 BEAERN Cc1nccn1C(=O)NC1CCCCC1 ZINC000005387361 180230023 /nfs/dbraw/zinc/23/00/23/180230023.db2.gz TXPVORFGFYALRJ-UHFFFAOYSA-N 0 0 207.277 2.082 10 0 BEAERN Cc1nccn1-c1nc(Br)cs1 ZINC000044116885 180230517 /nfs/dbraw/zinc/23/05/17/180230517.db2.gz MCFPHQVIYFMWEN-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN C[C@@H]1CC[C@@H](O)CCN1C(=O)OC(C)(C)C ZINC000222931349 350256523 /nfs/dbraw/zinc/25/65/23/350256523.db2.gz LOOUDFIZGQFPMA-NXEZZACHSA-N 0 0 229.320 2.157 10 0 BEAERN Cc1nn(C)c(N)c1-c1ccccc1C ZINC000036937486 259412260 /nfs/dbraw/zinc/41/22/60/259412260.db2.gz VPZUBTLNBBQTLK-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccn(C2CCCC2)n1 ZINC000152024197 538084469 /nfs/dbraw/zinc/08/44/69/538084469.db2.gz SQPFVSHZHLYYHZ-JOYOIKCWSA-N 0 0 233.315 2.136 10 0 BEAERN C[C@@H]1CC[C@@H](C(C)(C)S(N)(=O)=O)C[C@@H]1C ZINC000725261542 538086865 /nfs/dbraw/zinc/08/68/65/538086865.db2.gz ZOFGRCQFNKJNHD-KXUCPTDWSA-N 0 0 233.377 2.126 10 0 BEAERN Cc1nccn1CCNc1ccc(F)cc1 ZINC000049329885 180261882 /nfs/dbraw/zinc/26/18/82/180261882.db2.gz ARWVWADBWJWELL-UHFFFAOYSA-N 0 0 219.263 2.443 10 0 BEAERN Cc1nccn1CCOc1ccccc1C=O ZINC000049330570 180262287 /nfs/dbraw/zinc/26/22/87/180262287.db2.gz HIAXDENZGXQJGF-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN Cc1c(Cl)c2cc(N)cc(F)c2n(C)c1=O ZINC000725260561 538082784 /nfs/dbraw/zinc/08/27/84/538082784.db2.gz SJPRMZABQCKQLV-UHFFFAOYSA-N 0 0 240.665 2.222 10 0 BEAERN C[C@@H](CO)[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000617857772 350278860 /nfs/dbraw/zinc/27/88/60/350278860.db2.gz PCFPBMXPNXGNAU-MVKMKZAISA-N 0 0 239.359 2.042 10 0 BEAERN Cc1nccn1[C@@H](C)C(=O)N1CCCCCC1 ZINC000104293056 180271288 /nfs/dbraw/zinc/27/12/88/180271288.db2.gz NJXVWMUJYNRSEX-NSHDSACASA-N 0 0 235.331 2.155 10 0 BEAERN Cc1ncn([C@H]2Cc3ccccc3[C@H]2O)c1C ZINC000051927896 180289535 /nfs/dbraw/zinc/28/95/35/180289535.db2.gz YXPXYDNEAZVGAM-UONOGXRCSA-N 0 0 228.295 2.331 10 0 BEAERN O[C@@H]1CCCC[C@H]1n1cc(Br)cn1 ZINC000038054720 350300973 /nfs/dbraw/zinc/30/09/73/350300973.db2.gz GJHKMCHQSPMGNB-RKDXNWHRSA-N 0 0 245.120 2.122 10 0 BEAERN Cc1ncn(-c2c(F)cc(N)cc2F)c1C ZINC000051925458 180285548 /nfs/dbraw/zinc/28/55/48/180285548.db2.gz WIJOEWGDRLGRED-UHFFFAOYSA-N 0 0 223.226 2.350 10 0 BEAERN CC[C@H](Nc1cccc(Cl)c1)C(N)=O ZINC000037942571 350292786 /nfs/dbraw/zinc/29/27/86/350292786.db2.gz KGUCADJBVUAURN-VIFPVBQESA-N 0 0 212.680 2.016 10 0 BEAERN Cc1ncoc1-c1nc2ccc(N)cc2o1 ZINC000082370567 180298114 /nfs/dbraw/zinc/29/81/14/180298114.db2.gz RIJIFWBPRJBZSY-UHFFFAOYSA-N 0 0 215.212 2.373 10 0 BEAERN Cc1ncsc1[C@H](C)Nc1cn[nH]c1 ZINC000037261003 180326695 /nfs/dbraw/zinc/32/66/95/180326695.db2.gz XARFXMNRVGSMAD-ZETCQYMHSA-N 0 0 208.290 2.348 10 0 BEAERN Cc1ncsc1[C@@H](C)Nc1cnn(C)c1 ZINC000037260108 180327722 /nfs/dbraw/zinc/32/77/22/180327722.db2.gz PQTKUAMPVQVGKF-MRVPVSSYSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nn(C)c(C)c1Cc1ccc(C=O)cc1 ZINC000040542763 180342044 /nfs/dbraw/zinc/34/20/44/180342044.db2.gz LYBUXEHBKTZKKL-UHFFFAOYSA-N 0 0 228.295 2.440 10 0 BEAERN CCCCn1nc(C(=O)OCC)c(CC)c1N ZINC000725265325 538091802 /nfs/dbraw/zinc/09/18/02/538091802.db2.gz BMGBCHNXAUGHLO-UHFFFAOYSA-N 0 0 239.319 2.005 10 0 BEAERN Cc1nn(C)c(O[C@H](C)CC(C)C)c1N ZINC000036749544 180360171 /nfs/dbraw/zinc/36/01/71/180360171.db2.gz LOCZUXCTQSTLBA-MRVPVSSYSA-N 0 0 211.309 2.124 10 0 BEAERN COc1cc2[nH]nc(Cl)c2c(F)c1 ZINC000014984135 350439739 /nfs/dbraw/zinc/43/97/39/350439739.db2.gz MORXCSBRJPZSMK-UHFFFAOYSA-N 0 0 200.600 2.364 10 0 BEAERN Cc1nn(C)c(N[C@@H]2CCCC[C@@H]2C)c1N ZINC000036749074 180359500 /nfs/dbraw/zinc/35/95/00/180359500.db2.gz YVEIZPDZVZZMSV-WCBMZHEXSA-N 0 0 222.336 2.301 10 0 BEAERN CC[C@@H](C)NS(=O)(=O)c1cc(C)sc1C ZINC000032548391 350426992 /nfs/dbraw/zinc/42/69/92/350426992.db2.gz GQLKKOIJHGXXDZ-SSDOTTSWSA-N 0 0 247.385 2.442 10 0 BEAERN Cc1nn(C)c(N[C@H](C)CCc2ccco2)c1N ZINC000049564460 180359947 /nfs/dbraw/zinc/35/99/47/180359947.db2.gz LCKJSVPPBLCEHH-SECBINFHSA-N 0 0 248.330 2.337 10 0 BEAERN Cc1nn(C)c(OC2CCC(C)CC2)c1N ZINC000036749522 180359975 /nfs/dbraw/zinc/35/99/75/180359975.db2.gz PTMYMZKLZAUTOU-UHFFFAOYSA-N 0 0 223.320 2.268 10 0 BEAERN C[C@@H]1CC[C@H](C)N(c2ncc(N)s2)C1 ZINC000226746087 350452073 /nfs/dbraw/zinc/45/20/73/350452073.db2.gz PKVIVJZODBZPFH-SFYZADRCSA-N 0 0 211.334 2.350 10 0 BEAERN Cc1nn(C)cc1/C=C\c1ccc(N)cc1 ZINC000216062247 180365580 /nfs/dbraw/zinc/36/55/80/180365580.db2.gz MQKJYUOHZLBSRO-UTCJRWHESA-N 0 0 213.284 2.481 10 0 BEAERN CNc1cc(N2[C@H](C)CCC[C@@H]2C)ncn1 ZINC000409438396 350481245 /nfs/dbraw/zinc/48/12/45/350481245.db2.gz MPMDXUDCKUMFEH-AOOOYVTPSA-N 0 0 220.320 2.286 10 0 BEAERN CC(C)c1[nH]nc(-c2ccco2)c1CO ZINC000409437901 350481509 /nfs/dbraw/zinc/48/15/09/350481509.db2.gz AWVQLDTXSLSERU-UHFFFAOYSA-N 0 0 206.245 2.285 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1cnccc1Cl ZINC000227105733 350482334 /nfs/dbraw/zinc/48/23/34/350482334.db2.gz XAZOLCQSFANXMJ-BQBZGAKWSA-N 0 0 210.664 2.330 10 0 BEAERN Cc1nn([C@@H](C)c2cccnc2)c(N)c1Cl ZINC000043667556 180391980 /nfs/dbraw/zinc/39/19/80/180391980.db2.gz KRDGPQGAPAMLDN-QMMMGPOBSA-N 0 0 236.706 2.431 10 0 BEAERN Cc1nn([C@@H]2CCCCC[C@H]2O)c(N)c1Cl ZINC000054600343 180392220 /nfs/dbraw/zinc/39/22/20/180392220.db2.gz UJEXQNDFIIQHNX-RKDXNWHRSA-N 0 0 243.738 2.293 10 0 BEAERN CCCOc1ccc2c(c1)OC[C@H]2C(=O)OC ZINC000725266140 538094023 /nfs/dbraw/zinc/09/40/23/538094023.db2.gz PLXWFAOPSTYBJI-LLVKDONJSA-N 0 0 236.267 2.124 10 0 BEAERN CCN(CC)c1ccc2c(c1)OC[C@H]2C(=O)OC ZINC000725266152 538094051 /nfs/dbraw/zinc/09/40/51/538094051.db2.gz QJYGNVFFCBPHMO-GFCCVEGCSA-N 0 0 249.310 2.182 10 0 BEAERN Cc1nnc(-c2ccc(Cl)c(N)c2)nc1C ZINC000082547812 180394612 /nfs/dbraw/zinc/39/46/12/180394612.db2.gz XFFXGJIHKAIHBT-UHFFFAOYSA-N 0 0 234.690 2.391 10 0 BEAERN Cc1nn(CCOc2ccccc2N)c(C)c1C ZINC000040728886 180388957 /nfs/dbraw/zinc/38/89/57/180388957.db2.gz IKKCTZCQKWLLNO-UHFFFAOYSA-N 0 0 245.326 2.470 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(O)c1 ZINC000227616670 350503926 /nfs/dbraw/zinc/50/39/26/350503926.db2.gz SAWUNOFQBBQQHS-CABZTGNLSA-N 0 0 219.284 2.311 10 0 BEAERN Cc1nn(C[C@H](O)C(C)(C)C)c(C)c1C ZINC000044187314 180390206 /nfs/dbraw/zinc/39/02/06/180390206.db2.gz UEKPRJZKLAEKCP-NSHDSACASA-N 0 0 210.321 2.215 10 0 BEAERN O=[N+]([O-])c1sccc1N[C@H]1CCC[C@@H](O)C1 ZINC000378720665 490562049 /nfs/dbraw/zinc/56/20/49/490562049.db2.gz FXTAIROVXMLBOC-JGVFFNPUSA-N 0 0 242.300 2.372 10 0 BEAERN Cn1cnnc1-c1cc2c(s1)CCC2 ZINC000228237918 350534653 /nfs/dbraw/zinc/53/46/53/350534653.db2.gz LMGWFGBXPJVXQX-UHFFFAOYSA-N 0 0 205.286 2.032 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1[C@@H]1CC12CC2 ZINC000725266396 538095264 /nfs/dbraw/zinc/09/52/64/538095264.db2.gz UDVPXBUXBHKZJG-ZETCQYMHSA-N 0 0 235.287 2.028 10 0 BEAERN C[C@H](C[NH2+]CC1CCC(C)CC1)C(=O)[O-] ZINC000063145611 350573668 /nfs/dbraw/zinc/57/36/68/350573668.db2.gz UOPRKMITDVPORH-HSOILSAZSA-N 0 0 213.321 2.123 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H]1CCCC1(C)C ZINC000725266604 538095505 /nfs/dbraw/zinc/09/55/05/538095505.db2.gz UBGTXCYUIWFPMP-QMMMGPOBSA-N 0 0 237.303 2.275 10 0 BEAERN CC(C)Cn1ccnc(N2CCCCCC2)c1=O ZINC000064543243 350577713 /nfs/dbraw/zinc/57/77/13/350577713.db2.gz XPPXQJAWZUVEIH-UHFFFAOYSA-N 0 0 249.358 2.280 10 0 BEAERN FC(F)(F)c1ccn(Cc2cncs2)n1 ZINC000129166297 490602956 /nfs/dbraw/zinc/60/29/56/490602956.db2.gz MEIPMHSGSXYRNP-UHFFFAOYSA-N 0 0 233.218 2.407 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1[C@H]1CC12CCC2 ZINC000725266283 538095881 /nfs/dbraw/zinc/09/58/81/538095881.db2.gz DHSNWIVJUVPWEL-MRVPVSSYSA-N 0 0 249.314 2.418 10 0 BEAERN Cc1nnc(NC[C@@H]2CC23CCOCC3)s1 ZINC000309879295 180434461 /nfs/dbraw/zinc/43/44/61/180434461.db2.gz URKONTIBAXMRHB-VIFPVBQESA-N 0 0 239.344 2.075 10 0 BEAERN Cc1nnc(NC[C@H]2CC23CCOCC3)s1 ZINC000309879293 180434493 /nfs/dbraw/zinc/43/44/93/180434493.db2.gz URKONTIBAXMRHB-SECBINFHSA-N 0 0 239.344 2.075 10 0 BEAERN Cc1nnc(Sc2c(F)cc(N)cc2F)o1 ZINC000051037601 180440635 /nfs/dbraw/zinc/44/06/35/180440635.db2.gz OLMBXCTYFGFZRZ-UHFFFAOYSA-N 0 0 243.238 2.390 10 0 BEAERN Cc1nnc(N[C@H]2CCCCC[C@@H]2CO)s1 ZINC000301808163 180437456 /nfs/dbraw/zinc/43/74/56/180437456.db2.gz ZBWBGIXJQHSWSI-ZJUUUORDSA-N 0 0 241.360 2.200 10 0 BEAERN CN(N)Cc1ccccc1C(F)(F)F ZINC000231504020 350627730 /nfs/dbraw/zinc/62/77/30/350627730.db2.gz FHDZBDXZRDDULN-UHFFFAOYSA-N 0 0 204.195 2.011 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](O)[C@H]2C)C1 ZINC000384905076 350630238 /nfs/dbraw/zinc/63/02/38/350630238.db2.gz XMYHJXABPBSOIQ-NDBYEHHHSA-N 0 0 239.359 2.185 10 0 BEAERN CC[C@@H](Nc1cccc([C@H](C)OC)c1)C(N)=O ZINC000112541873 350654883 /nfs/dbraw/zinc/65/48/83/350654883.db2.gz OLEXVVFSINTFFN-JOYOIKCWSA-N 0 0 236.315 2.070 10 0 BEAERN CCCCS[C@H](C)C(=O)NCC1(C)COC1 ZINC000112619260 350655763 /nfs/dbraw/zinc/65/57/63/350655763.db2.gz YSNVNIFWONMSIJ-SNVBAGLBSA-N 0 0 245.388 2.061 10 0 BEAERN COC(=O)c1cc(N)ccc1C(C)(C)C ZINC000088259952 362974550 /nfs/dbraw/zinc/97/45/50/362974550.db2.gz PWZQVSNCSGLQLN-UHFFFAOYSA-N 0 0 207.273 2.353 10 0 BEAERN CCOC(=O)c1cc2[nH]cc(Cl)cc-2n1 ZINC000095919852 350667125 /nfs/dbraw/zinc/66/71/25/350667125.db2.gz SKIVQYJOFLLWJR-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN Cc1noc(OCc2oc(C(C)C)nc2C)n1 ZINC000333105785 180495550 /nfs/dbraw/zinc/49/55/50/180495550.db2.gz WGDPJQMKHYKLQE-UHFFFAOYSA-N 0 0 237.259 2.377 10 0 BEAERN O=C(c1ccc(Br)o1)C(F)F ZINC000236146618 350730764 /nfs/dbraw/zinc/73/07/64/350730764.db2.gz AGPCNKLHNCDTNS-UHFFFAOYSA-N 0 0 224.988 2.490 10 0 BEAERN NN[C@H](c1ccoc1)c1ccc(Cl)o1 ZINC000236234568 350731993 /nfs/dbraw/zinc/73/19/93/350731993.db2.gz SAWKQZUTKBQIQU-SECBINFHSA-N 0 0 212.636 2.079 10 0 BEAERN CC(C)=CCCNc1nccnc1N(C)C ZINC000302734433 191120850 /nfs/dbraw/zinc/12/08/50/191120850.db2.gz VTWAOENFSOVCBY-UHFFFAOYSA-N 0 0 220.320 2.311 10 0 BEAERN Cc1noc2c1nccc2Br ZINC000082372168 180501391 /nfs/dbraw/zinc/50/13/91/180501391.db2.gz XRKLNEMEHLGLCZ-UHFFFAOYSA-N 0 0 213.034 2.294 10 0 BEAERN O[C@H](Cc1csc(Cl)c1)[C@H]1CCCO1 ZINC000306672486 350815483 /nfs/dbraw/zinc/81/54/83/350815483.db2.gz MCPAHZXPAHVEOL-RKDXNWHRSA-N 0 0 232.732 2.484 10 0 BEAERN Cc1nocc1CN[C@@H]1COc2ccccc21 ZINC000293673490 180509058 /nfs/dbraw/zinc/50/90/58/180509058.db2.gz UYHNFUVFRNUPTB-GFCCVEGCSA-N 0 0 230.267 2.206 10 0 BEAERN COc1cccc2c1N[C@@H](C(C)(C)C)[C@H](O)C2 ZINC000725267934 538099450 /nfs/dbraw/zinc/09/94/50/538099450.db2.gz CIZNPIONEJULQT-ZWNOBZJWSA-N 0 0 235.327 2.439 10 0 BEAERN CC(C)[C@@H](O)Cc1ccc(Br)cn1 ZINC000063039361 350786801 /nfs/dbraw/zinc/78/68/01/350786801.db2.gz DRKYKEZGZCHQNB-JTQLQIEISA-N 0 0 244.132 2.404 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2cccc(OC)c2C[C@H]1O ZINC000725268118 538099327 /nfs/dbraw/zinc/09/93/27/538099327.db2.gz KORBCDRVELFZGW-BHYNMZESSA-N 0 0 235.327 2.439 10 0 BEAERN O=C([O-])c1ccccc1[C@H]1CCC[NH2+]CC1 ZINC000616602014 350790928 /nfs/dbraw/zinc/79/09/28/350790928.db2.gz PTLNNNKMUSDSSZ-JTQLQIEISA-N 0 0 219.284 2.242 10 0 BEAERN CC(=O)N1CCC[C@H](c2ccccc2CO)CC1 ZINC000616602351 350790950 /nfs/dbraw/zinc/79/09/50/350790950.db2.gz ZTKSLQMPAFAJQP-ZDUSSCGKSA-N 0 0 247.338 2.295 10 0 BEAERN CCOC(=O)N1CCC[C@H]1C(F)(F)F ZINC000616606171 350796504 /nfs/dbraw/zinc/79/65/04/350796504.db2.gz AQHBNOGJWWNDHP-LURJTMIESA-N 0 0 211.183 2.170 10 0 BEAERN O=C([O-])c1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000616606070 350796617 /nfs/dbraw/zinc/79/66/17/350796617.db2.gz XSFJZWSVYQWETH-GFCCVEGCSA-N 0 0 219.284 2.242 10 0 BEAERN COC(=O)N1CCC[C@H]1c1cccc(CO)c1 ZINC000616606781 350798439 /nfs/dbraw/zinc/79/84/39/350798439.db2.gz JEWOMNHBRJOHMZ-LBPRGKRZSA-N 0 0 235.283 2.082 10 0 BEAERN CC(=O)N1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616609685 350803563 /nfs/dbraw/zinc/80/35/63/350803563.db2.gz HKNAHKJZBSOMRS-AWEZNQCLSA-N 0 0 241.294 2.313 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cocn2)C1 ZINC000616609984 350807694 /nfs/dbraw/zinc/80/76/94/350807694.db2.gz NERRMKZMTAFOTI-VIFPVBQESA-N 0 0 238.287 2.399 10 0 BEAERN CNc1cccc([C@H]2CCN(C(C)=O)C2)c1 ZINC000616611376 350808573 /nfs/dbraw/zinc/80/85/73/350808573.db2.gz CMYPSFLCHFVEEZ-LBPRGKRZSA-N 0 0 218.300 2.064 10 0 BEAERN CNc1ccc([C@@H]2CCN(C(C)=O)C2)cc1 ZINC000616611470 350809348 /nfs/dbraw/zinc/80/93/48/350809348.db2.gz FAENCGATWGOFCX-GFCCVEGCSA-N 0 0 218.300 2.064 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)c2nnc(Cl)s2)C1 ZINC000128867233 350829231 /nfs/dbraw/zinc/82/92/31/350829231.db2.gz XXYTVUAELUEDFC-RITPCOANSA-N 0 0 245.735 2.110 10 0 BEAERN OCC1CCC(Nc2nccs2)CC1 ZINC000306677679 350832564 /nfs/dbraw/zinc/83/25/64/350832564.db2.gz ZMCSILDDYFSZMS-UHFFFAOYSA-N 0 0 212.318 2.106 10 0 BEAERN CCS(=O)(=O)c1c(N)ccc(Cl)c1C ZINC000306677937 350833502 /nfs/dbraw/zinc/83/35/02/350833502.db2.gz ASYMZAXDECUZLG-UHFFFAOYSA-N 0 0 233.720 2.024 10 0 BEAERN O=C1OC[C@@H](SCc2ccco2)O1 ZINC000306677997 350833590 /nfs/dbraw/zinc/83/35/90/350833590.db2.gz AIQCUTSLNHBNAN-SSDOTTSWSA-N 0 0 200.215 2.006 10 0 BEAERN Cc1ccc(-c2ncc(CO)cn2)s1 ZINC000306678839 350833636 /nfs/dbraw/zinc/83/36/36/350833636.db2.gz HTDARHBLJLXBRQ-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN CN[C@H](c1cscn1)c1cc(C)ns1 ZINC000306682178 350838196 /nfs/dbraw/zinc/83/81/96/350838196.db2.gz QKIDUBXCBXZAOO-SECBINFHSA-N 0 0 225.342 2.217 10 0 BEAERN C[C@](O)(c1ccsc1)c1ccsn1 ZINC000306683615 350841777 /nfs/dbraw/zinc/84/17/77/350841777.db2.gz WODVMFNQDUBBOW-VIFPVBQESA-N 0 0 211.311 2.460 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncc(Cl)s1 ZINC000306686451 350842373 /nfs/dbraw/zinc/84/23/73/350842373.db2.gz GHPJZCCPSDAAAO-WDSKDSINSA-N 0 0 218.709 2.386 10 0 BEAERN COC1(C)CN(c2csc(Cl)n2)C1 ZINC000306691603 350845381 /nfs/dbraw/zinc/84/53/81/350845381.db2.gz OCJROMLSAZMPNU-UHFFFAOYSA-N 0 0 218.709 2.022 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1ccccc1CCO ZINC000616615185 350845572 /nfs/dbraw/zinc/84/55/72/350845572.db2.gz SBIBUHVPLFRPQT-OAHLLOKOSA-N 0 0 247.338 2.295 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ncco1 ZINC000616615421 350846480 /nfs/dbraw/zinc/84/64/80/350846480.db2.gz JUMVCDITYUSUGW-VIFPVBQESA-N 0 0 224.260 2.358 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@H](CC1CC1)N2 ZINC000725268044 538099504 /nfs/dbraw/zinc/09/95/04/538099504.db2.gz GVLSIDSAZUXEDJ-UONOGXRCSA-N 0 0 233.311 2.193 10 0 BEAERN CC[C@@H](F)Cn1ccc(=O)cc1Cl ZINC000306700577 350849505 /nfs/dbraw/zinc/84/95/05/350849505.db2.gz FWCQYMMZHVSLFU-SSDOTTSWSA-N 0 0 203.644 2.250 10 0 BEAERN COc1nc([C@@H]2CCC[C@@H](O)C2)cs1 ZINC000306702943 350852503 /nfs/dbraw/zinc/85/25/03/350852503.db2.gz IHICHANVOCYYJL-HTQZYQBOSA-N 0 0 213.302 2.170 10 0 BEAERN CC[S@@](C)(=O)=Nc1ccc(F)cc1N ZINC000306710117 350860024 /nfs/dbraw/zinc/86/00/24/350860024.db2.gz QJWAQJQXQQSXRS-CQSZACIVSA-N 0 0 216.281 2.157 10 0 BEAERN Cc1noc(C)c1CNC1(C#N)CCCC1 ZINC000222278310 350827088 /nfs/dbraw/zinc/82/70/88/350827088.db2.gz NATATOMVGVIGAJ-UHFFFAOYSA-N 0 0 219.288 2.217 10 0 BEAERN Cc1c[nH]c(=S)n1C[C@H]1CCSC1 ZINC000228599489 350827212 /nfs/dbraw/zinc/82/72/12/350827212.db2.gz RTQKVZBUWKAQOB-MRVPVSSYSA-N 0 0 214.359 2.233 10 0 BEAERN Clc1cc(NCc2ccno2)nc(Cl)n1 ZINC000306734344 350905003 /nfs/dbraw/zinc/90/50/03/350905003.db2.gz UTPLGTQZSJXUJE-UHFFFAOYSA-N 0 0 245.069 2.384 10 0 BEAERN CCOC(=O)N1CCC(c2ccno2)CC1 ZINC000616619473 350927353 /nfs/dbraw/zinc/92/73/53/350927353.db2.gz PJZRVVUEUKZERD-UHFFFAOYSA-N 0 0 224.260 2.011 10 0 BEAERN CCOC(=O)N1CCC(c2ncco2)CC1 ZINC000616619702 350928397 /nfs/dbraw/zinc/92/83/97/350928397.db2.gz XAHQAKMIHRPEAE-UHFFFAOYSA-N 0 0 224.260 2.011 10 0 BEAERN NC(=O)N1CCC[C@@H](c2ccccc2F)C1 ZINC000616620011 350929118 /nfs/dbraw/zinc/92/91/18/350929118.db2.gz MPGWRMBVVLWCKT-SECBINFHSA-N 0 0 222.263 2.084 10 0 BEAERN O=C(CC1CCOCC1)[C@H]1CCSC1 ZINC000159535541 350879477 /nfs/dbraw/zinc/87/94/77/350879477.db2.gz UWUDXWRXAKODHF-JTQLQIEISA-N 0 0 214.330 2.125 10 0 BEAERN C[C@@H]1SCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000306721688 350888672 /nfs/dbraw/zinc/88/86/72/350888672.db2.gz FCKWUZITQSBCBV-BQBZGAKWSA-N 0 0 229.736 2.436 10 0 BEAERN Clc1nc(-c2cn[nH]c2)nc2c1CSC2 ZINC000306724160 350893024 /nfs/dbraw/zinc/89/30/24/350893024.db2.gz IFTMUMVLJNFLKY-UHFFFAOYSA-N 0 0 238.703 2.267 10 0 BEAERN CC[C@H](C)[S@](=O)[C@H]1CCCC(=O)C1 ZINC000251296412 350894438 /nfs/dbraw/zinc/89/44/38/350894438.db2.gz ATTZCVRDHVRDDW-FWDPORAESA-N 0 0 202.319 2.045 10 0 BEAERN Cc1occc1C(=O)NC1(CO)CCCCC1 ZINC000053074259 180537839 /nfs/dbraw/zinc/53/78/39/180537839.db2.gz FJMVYEZRZJBIBL-UHFFFAOYSA-N 0 0 237.299 2.013 10 0 BEAERN Clc1cc(NC[C@H]2CCOC2)nc(Cl)n1 ZINC000306771546 351007793 /nfs/dbraw/zinc/00/77/93/351007793.db2.gz CMBIUGTVYANLJR-ZCFIWIBFSA-N 0 0 248.113 2.232 10 0 BEAERN O[C@H](Cc1cncs1)c1ccsc1 ZINC000159662039 350968044 /nfs/dbraw/zinc/96/80/44/350968044.db2.gz FTAUVOHLQYWNOV-SECBINFHSA-N 0 0 211.311 2.481 10 0 BEAERN C[C@@H]1CC[C@@]12C(N)=NC(=O)N2Cc1ccccc1 ZINC000306756318 350969944 /nfs/dbraw/zinc/96/99/44/350969944.db2.gz QAJSHYIVFOYNEL-YGRLFVJLSA-N 0 0 243.310 2.148 10 0 BEAERN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CS1 ZINC000397842632 350982604 /nfs/dbraw/zinc/98/26/04/350982604.db2.gz RDKJVPHMSONPGK-KAMPLNKDSA-N 0 0 225.357 2.043 10 0 BEAERN CCCc1nc(C)c(OC)c(Cl)n1 ZINC000306762382 350989045 /nfs/dbraw/zinc/98/90/45/350989045.db2.gz HESQYNMNTHRNPA-UHFFFAOYSA-N 0 0 200.669 2.400 10 0 BEAERN CCOc1cccc(N)c1Br ZINC000159731761 350989274 /nfs/dbraw/zinc/98/92/74/350989274.db2.gz NPBNSWKPXBCDTJ-UHFFFAOYSA-N 0 0 216.078 2.430 10 0 BEAERN OCC[C@@H]1CCN(c2nc(Cl)cs2)C1 ZINC000159735867 350990171 /nfs/dbraw/zinc/99/01/71/350990171.db2.gz INDHNCKLLXCZHU-ZETCQYMHSA-N 0 0 232.736 2.005 10 0 BEAERN Cc1cc(C)n(CC(=O)c2ccsc2)n1 ZINC000306762751 350992902 /nfs/dbraw/zinc/99/29/02/350992902.db2.gz FIDOLCHDNAQXQR-UHFFFAOYSA-N 0 0 220.297 2.444 10 0 BEAERN O[C@@H](c1ccc(Br)cn1)C(F)F ZINC000159793117 350997443 /nfs/dbraw/zinc/99/74/43/350997443.db2.gz VRQDGDSRQXARPF-LURJTMIESA-N 0 0 238.031 2.143 10 0 BEAERN Cc1csc([C@@H]2N[C@H](C)CS2)n1 ZINC000159620543 350953325 /nfs/dbraw/zinc/95/33/25/350953325.db2.gz UYQCUIJCYAOLLK-HTRCEHHLSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1cc(F)ccc1C1N=NC(=S)N1 ZINC000159875362 351016898 /nfs/dbraw/zinc/01/68/98/351016898.db2.gz SMRRFXFKRIHEDH-UHFFFAOYSA-N 0 0 209.249 2.208 10 0 BEAERN CN(C)NCc1cccc(F)c1Cl ZINC000159899321 351019024 /nfs/dbraw/zinc/01/90/24/351019024.db2.gz JTHRGSAQHORXNS-UHFFFAOYSA-N 0 0 202.660 2.045 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@H](C(C)(C)C)N2 ZINC000725268355 538100001 /nfs/dbraw/zinc/10/00/01/538100001.db2.gz NHMWXHCWGZIPBZ-QWHCGFSZSA-N 0 0 235.327 2.439 10 0 BEAERN Cc1ncc(-c2cccc(C=O)c2)n1C ZINC000306794086 351042626 /nfs/dbraw/zinc/04/26/26/351042626.db2.gz HMDWIWAGSAROMN-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN COc1cc(C(=O)C(C)(F)F)c(F)cn1 ZINC000306793676 351042830 /nfs/dbraw/zinc/04/28/30/351042830.db2.gz GXKCMCMQPXJQCJ-UHFFFAOYSA-N 0 0 219.162 2.067 10 0 BEAERN N[C@@H](Cc1ccncc1Cl)C(F)(F)F ZINC000159933209 351044355 /nfs/dbraw/zinc/04/43/55/351044355.db2.gz PDHFDYIWSZHBCY-ZETCQYMHSA-N 0 0 224.613 2.167 10 0 BEAERN Cc1ccc2nc([C@H]3CCOC3)c(NN)cc2c1 ZINC000725268333 538100003 /nfs/dbraw/zinc/10/00/03/538100003.db2.gz MOKRFPHBBZGIET-JTQLQIEISA-N 0 0 243.310 2.333 10 0 BEAERN C/C(=C\C(C)(C)C)C(=O)NCCn1cc(C)cn1 ZINC000185452345 191128419 /nfs/dbraw/zinc/12/84/19/191128419.db2.gz MRWYSEHUQZFNJY-XYOKQWHBSA-N 0 0 249.358 2.300 10 0 BEAERN Cc1sc(C(=O)N2CCC[C@@H]2C)cc1N ZINC000040305912 180556109 /nfs/dbraw/zinc/55/61/09/180556109.db2.gz CALDCARHANBBEH-ZETCQYMHSA-N 0 0 224.329 2.263 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cnco2)CC1 ZINC000616630205 351102374 /nfs/dbraw/zinc/10/23/74/351102374.db2.gz YNMYCADWTPGXBE-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN COC(=O)N1CCC[C@H](c2cnoc2)CC1 ZINC000616630307 351102411 /nfs/dbraw/zinc/10/24/11/351102411.db2.gz SNWXTPQPMYPYQA-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN COc1ccc2c(c1)N[C@H](C(C)(C)C)[C@H](O)C2 ZINC000725268298 538100036 /nfs/dbraw/zinc/10/00/36/538100036.db2.gz LQGKOJFYBKIHQS-OLZOCXBDSA-N 0 0 235.327 2.439 10 0 BEAERN COC(=O)N1CCC[C@H](c2cccnc2)CC1 ZINC000616630701 351103574 /nfs/dbraw/zinc/10/35/74/351103574.db2.gz VYAWUIKTODBZGP-NSHDSACASA-N 0 0 234.299 2.418 10 0 BEAERN CC(=O)N1CCC[C@H](c2ccccn2)CC1 ZINC000616627195 351107675 /nfs/dbraw/zinc/10/76/75/351107675.db2.gz FXZCLAKWYZWXTG-LBPRGKRZSA-N 0 0 218.300 2.198 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cnco2)C1 ZINC000616627096 351107931 /nfs/dbraw/zinc/10/79/31/351107931.db2.gz BKJMSLOBFDXFMI-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN CNc1ccccc1[C@@H]1CCCN(C(N)=O)CC1 ZINC000616627212 351107973 /nfs/dbraw/zinc/10/79/73/351107973.db2.gz GEKNQAYFKSSSMZ-LLVKDONJSA-N 0 0 247.342 2.377 10 0 BEAERN CC(=O)Nc1ccc([C@H]2CCCN2C(C)=O)cc1 ZINC000616634091 351116356 /nfs/dbraw/zinc/11/63/56/351116356.db2.gz QLPNPDINIDFFPZ-CQSZACIVSA-N 0 0 246.310 2.328 10 0 BEAERN CNc1ccc([C@H]2CCCN2C(C)=O)cc1 ZINC000616634212 351117214 /nfs/dbraw/zinc/11/72/14/351117214.db2.gz WBEGOSKZBNILFG-CYBMUJFWSA-N 0 0 218.300 2.412 10 0 BEAERN CC(=O)Nc1ccccc1[C@H]1CCCN1C(C)=O ZINC000616634980 351117896 /nfs/dbraw/zinc/11/78/96/351117896.db2.gz YEHQYKMZACQELR-CQSZACIVSA-N 0 0 246.310 2.328 10 0 BEAERN CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccc(CO)cc1 ZINC000616636262 351124640 /nfs/dbraw/zinc/12/46/40/351124640.db2.gz CJMRZIVGQYZEII-CQSZACIVSA-N 0 0 249.354 2.351 10 0 BEAERN C[C@@H]1CSC[C@]1(O)CC[C@@H]1CCCO1 ZINC000306815737 351084146 /nfs/dbraw/zinc/08/41/46/351084146.db2.gz DBGJQIYACCUKLK-OUAUKWLOSA-N 0 0 216.346 2.060 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cocn1 ZINC000616622724 351086099 /nfs/dbraw/zinc/08/60/99/351086099.db2.gz OYGIJFTVVFKZJK-SNVBAGLBSA-N 0 0 224.260 2.358 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1cocn1 ZINC000616623843 351090240 /nfs/dbraw/zinc/09/02/40/351090240.db2.gz JUINWAGFCRQZNM-LLVKDONJSA-N 0 0 208.261 2.138 10 0 BEAERN COC(=O)N1CCC[C@H](OC(F)(F)F)CC1 ZINC000616627932 351096586 /nfs/dbraw/zinc/09/65/86/351096586.db2.gz FGKHSXLKHSESQX-ZETCQYMHSA-N 0 0 241.209 2.144 10 0 BEAERN CNc1ccc([C@@H]2CCCN(C(N)=O)CC2)cc1 ZINC000616627874 351096738 /nfs/dbraw/zinc/09/67/38/351096738.db2.gz JTSUIPATWINAGT-LLVKDONJSA-N 0 0 247.342 2.377 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ncco2)CC1 ZINC000616628237 351097859 /nfs/dbraw/zinc/09/78/59/351097859.db2.gz OTIMAEXTIHLAAA-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN COc1ccccc1[C@H]1CCCCN(C(N)=O)C1 ZINC000616628687 351098344 /nfs/dbraw/zinc/09/83/44/351098344.db2.gz QCMJERYMUHCFHI-NSHDSACASA-N 0 0 248.326 2.343 10 0 BEAERN CC(C)(C)N1CCOC[C@H]1c1ccncc1 ZINC000616641797 351152238 /nfs/dbraw/zinc/15/22/38/351152238.db2.gz PWJHYOWOSWPGKC-LBPRGKRZSA-N 0 0 220.316 2.253 10 0 BEAERN CN1CCO[C@H](c2ccnc3ccccc32)C1 ZINC000616643219 351156080 /nfs/dbraw/zinc/15/60/80/351156080.db2.gz FQUNWBKUPWYTRA-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN COC(=O)c1c(F)cc(C)c(F)c1F ZINC000306843833 351156730 /nfs/dbraw/zinc/15/67/30/351156730.db2.gz DLDWMCCTULYLFW-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN CCCc1nc2c(cccc2OC)cc1NN ZINC000725268305 538100073 /nfs/dbraw/zinc/10/00/73/538100073.db2.gz LWUVVOWYEFUIGP-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN COCc1cn2c3c(sc2n1)CCC3 ZINC000231720126 351162416 /nfs/dbraw/zinc/16/24/16/351162416.db2.gz YQGXDQRXSFRKOM-UHFFFAOYSA-N 0 0 208.286 2.031 10 0 BEAERN CC(C)[N@@H+]1CCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616644817 351165097 /nfs/dbraw/zinc/16/50/97/351165097.db2.gz JKPRZYNBYSKNNW-CYBMUJFWSA-N 0 0 249.310 2.167 10 0 BEAERN CNc1ccc([C@@H]2COCCCN2C(C)=O)cc1 ZINC000616647806 351174830 /nfs/dbraw/zinc/17/48/30/351174830.db2.gz GQZHDJKYLLXIMF-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CC(C)C(O)(C(C)C)C1CCOCC1 ZINC000306823197 351130768 /nfs/dbraw/zinc/13/07/68/351130768.db2.gz PFDQQUYQGFVANU-UHFFFAOYSA-N 0 0 200.322 2.456 10 0 BEAERN CC1(C)CCSC[C@]1(O)c1ccc[nH]1 ZINC000306824755 351133005 /nfs/dbraw/zinc/13/30/05/351133005.db2.gz VCJAISINXWRXMU-NSHDSACASA-N 0 0 211.330 2.365 10 0 BEAERN Nc1nc2cncc(Cl)c2n1C1CC1 ZINC000306823822 351133139 /nfs/dbraw/zinc/13/31/39/351133139.db2.gz RQQYELBAECOIMD-UHFFFAOYSA-N 0 0 208.652 2.002 10 0 BEAERN CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccc(N)cc1 ZINC000616638687 351140801 /nfs/dbraw/zinc/14/08/01/351140801.db2.gz ZETYTEJKTWVJDI-CYBMUJFWSA-N 0 0 234.343 2.441 10 0 BEAERN FC(F)[C@@H]1COCCN1Cc1ccccc1 ZINC000616639509 351143978 /nfs/dbraw/zinc/14/39/78/351143978.db2.gz OGECDBMRYNHAPX-NSHDSACASA-N 0 0 227.254 2.153 10 0 BEAERN CCOC(=O)[C@@H]1Cc2ccccc2N(CC)C1 ZINC000616668258 351230417 /nfs/dbraw/zinc/23/04/17/351230417.db2.gz AJRBMAOOKGQZJE-GFCCVEGCSA-N 0 0 233.311 2.248 10 0 BEAERN c1ccc2c(c1)C[C@@H](c1ccnnc1)CN2 ZINC000616670710 351231080 /nfs/dbraw/zinc/23/10/80/351231080.db2.gz QZEHZTBAZUGUFT-GFCCVEGCSA-N 0 0 211.268 2.228 10 0 BEAERN Clc1cc(Cl)nc(-c2cnccn2)n1 ZINC000082473695 180575766 /nfs/dbraw/zinc/57/57/66/180575766.db2.gz MFYGWBWMQGOTRV-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1C(F)F ZINC000616671182 351231618 /nfs/dbraw/zinc/23/16/18/351231618.db2.gz RXZBJBHCWDBIEV-NSHDSACASA-N 0 0 227.254 2.065 10 0 BEAERN CCN1c2ccccc2CC[C@H]1c1nc[nH]n1 ZINC000616670192 351232854 /nfs/dbraw/zinc/23/28/54/351232854.db2.gz LIOVLXDBAGPNKZ-LBPRGKRZSA-N 0 0 228.299 2.319 10 0 BEAERN Nc1cc([C@H]2CNc3ccccc3C2)ccn1 ZINC000616670649 351233576 /nfs/dbraw/zinc/23/35/76/351233576.db2.gz OZSFSRLHJDVRMK-GFCCVEGCSA-N 0 0 225.295 2.246 10 0 BEAERN CC(=O)N1C[C@H](c2cn[nH]c2)Cc2ccccc21 ZINC000616672019 351235003 /nfs/dbraw/zinc/23/50/03/351235003.db2.gz GUZBYEMTWKRSHX-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN CN1C[C@@H](c2cn[nH]c2)Cc2ccccc21 ZINC000616672373 351235239 /nfs/dbraw/zinc/23/52/39/351235239.db2.gz JHPFQWYARQXLRD-NSHDSACASA-N 0 0 213.284 2.186 10 0 BEAERN CN1C[C@H](c2cccc(N)n2)Cc2ccccc21 ZINC000616672222 351235250 /nfs/dbraw/zinc/23/52/50/351235250.db2.gz XNYIPJICXSNRKI-GFCCVEGCSA-N 0 0 239.322 2.440 10 0 BEAERN CN1C[C@H](c2ccon2)Cc2ccccc21 ZINC000616671766 351236562 /nfs/dbraw/zinc/23/65/62/351236562.db2.gz UJOVYICYUAOYEG-LLVKDONJSA-N 0 0 214.268 2.451 10 0 BEAERN CN1CC[C@@H](c2cc[nH]n2)c2ccccc21 ZINC000616671871 351236706 /nfs/dbraw/zinc/23/67/06/351236706.db2.gz IERBHDIAAMPCCT-SNVBAGLBSA-N 0 0 213.284 2.382 10 0 BEAERN CC(=O)N[C@H]1CCN(C(C)C)c2ccccc21 ZINC000616674177 351237970 /nfs/dbraw/zinc/23/79/70/351237970.db2.gz BACBHDZAHHOLIQ-ZDUSSCGKSA-N 0 0 232.327 2.482 10 0 BEAERN CC(C)[C@@H]1Cc2ccccc2N(CCO)C1 ZINC000616674116 351238068 /nfs/dbraw/zinc/23/80/68/351238068.db2.gz XOJQGRXEUONMLN-CYBMUJFWSA-N 0 0 219.328 2.314 10 0 BEAERN OCCN1CC[C@H](c2ccno2)c2ccccc21 ZINC000616674224 351238761 /nfs/dbraw/zinc/23/87/61/351238761.db2.gz CCBVUNRXXHZSOO-LBPRGKRZSA-N 0 0 244.294 2.009 10 0 BEAERN NC(=O)N1CC[C@H](c2ccno2)c2ccccc21 ZINC000616674369 351238775 /nfs/dbraw/zinc/23/87/75/351238775.db2.gz CQBVQXXEHWGERN-JTQLQIEISA-N 0 0 243.266 2.095 10 0 BEAERN CC(=O)N1C[C@H](c2ccon2)Cc2ccccc21 ZINC000616674647 351238886 /nfs/dbraw/zinc/23/88/86/351238886.db2.gz WHFWBENWMSKXFT-GFCCVEGCSA-N 0 0 242.278 2.367 10 0 BEAERN CN1C[C@@H](c2ccnnc2)Cc2ccccc21 ZINC000616673081 351240236 /nfs/dbraw/zinc/24/02/36/351240236.db2.gz LTWIFLJWPCNISI-ZDUSSCGKSA-N 0 0 225.295 2.253 10 0 BEAERN CC[C@@H]1Cc2ccccc2N(CCO)C1 ZINC000616673330 351240448 /nfs/dbraw/zinc/24/04/48/351240448.db2.gz RBOSGGRPTGADKT-LLVKDONJSA-N 0 0 205.301 2.068 10 0 BEAERN [NH3+]CC[C@@H]1CCN(C(=O)[O-])c2ccccc21 ZINC000616676448 351241028 /nfs/dbraw/zinc/24/10/28/351241028.db2.gz TWCMGYIHYRFNIQ-SECBINFHSA-N 0 0 220.272 2.007 10 0 BEAERN Nc1cc([C@H]2CCNc3ccccc32)ccn1 ZINC000616676163 351241092 /nfs/dbraw/zinc/24/10/92/351241092.db2.gz VDFOGJCGWCBHCI-LLVKDONJSA-N 0 0 225.295 2.442 10 0 BEAERN FC(F)(F)O[C@@H]1NCCc2ccccc21 ZINC000616676871 351241511 /nfs/dbraw/zinc/24/15/11/351241511.db2.gz QOSUVYHTYRBJPE-VIFPVBQESA-N 0 0 217.190 2.367 10 0 BEAERN CCN1CC[C@H](n2ccc(N)n2)c2ccccc21 ZINC000616675658 351243103 /nfs/dbraw/zinc/24/31/03/351243103.db2.gz NPCIOOOKGNLULP-ZDUSSCGKSA-N 0 0 242.326 2.115 10 0 BEAERN COC(=O)N1CC[C@H](CCO)c2ccccc21 ZINC000616675293 351243114 /nfs/dbraw/zinc/24/31/14/351243114.db2.gz OUUNEKVLLNWHJO-SNVBAGLBSA-N 0 0 235.283 2.129 10 0 BEAERN CN1CCO[C@@H](c2cccc3ncccc32)C1 ZINC000616677737 351244503 /nfs/dbraw/zinc/24/45/03/351244503.db2.gz UMSBZHLOYYVPGE-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN O=C([O-])N1CCc2ccccc2[C@@H]1c1ncc[nH]1 ZINC000616677781 351245240 /nfs/dbraw/zinc/24/52/40/351245240.db2.gz VGLCBOVLRMYNGH-LLVKDONJSA-N 0 0 243.266 2.035 10 0 BEAERN OCCN1CCc2ccccc2[C@H]1C(F)(F)F ZINC000616678105 351245307 /nfs/dbraw/zinc/24/53/07/351245307.db2.gz BRFSEDUWMZEZCC-NSHDSACASA-N 0 0 245.244 2.140 10 0 BEAERN CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000616679668 351246125 /nfs/dbraw/zinc/24/61/25/351246125.db2.gz XCGIJEIWRBAZJG-GFCCVEGCSA-N 0 0 233.311 2.469 10 0 BEAERN CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000616679786 351246143 /nfs/dbraw/zinc/24/61/43/351246143.db2.gz XCGIJEIWRBAZJG-LBPRGKRZSA-N 0 0 233.311 2.469 10 0 BEAERN CC(C)(C)[C@@H]1CN(CCO)c2ccccc2N1 ZINC000616681864 351252126 /nfs/dbraw/zinc/25/21/26/351252126.db2.gz YIEGTUDRNIGYEV-ZDUSSCGKSA-N 0 0 234.343 2.326 10 0 BEAERN CCN1C[C@H](c2ccncn2)Nc2ccccc21 ZINC000616682002 351252129 /nfs/dbraw/zinc/25/21/29/351252129.db2.gz DPHQTBAWCPZGRO-CYBMUJFWSA-N 0 0 240.310 2.470 10 0 BEAERN CCN1C[C@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616681985 351252206 /nfs/dbraw/zinc/25/22/06/351252206.db2.gz CXOVQVDENDBKMY-GFCCVEGCSA-N 0 0 228.299 2.403 10 0 BEAERN CC(C)[C@H]1CNc2ccccc2N1C(N)=O ZINC000616683581 351252352 /nfs/dbraw/zinc/25/23/52/351252352.db2.gz HUGPOWUOWZMEAR-LLVKDONJSA-N 0 0 219.288 2.022 10 0 BEAERN CC(C)[C@@H]1CNc2ccccc2N1C(N)=O ZINC000616683615 351253627 /nfs/dbraw/zinc/25/36/27/351253627.db2.gz HUGPOWUOWZMEAR-NSHDSACASA-N 0 0 219.288 2.022 10 0 BEAERN CN1C[C@@H](C(F)(F)F)Nc2ccccc21 ZINC000616686916 351257784 /nfs/dbraw/zinc/25/77/84/351257784.db2.gz VMWHGRPGXNUGEB-VIFPVBQESA-N 0 0 216.206 2.479 10 0 BEAERN CC[C@@H]1CNc2ccccc2N1C(C)=O ZINC000616685871 351258851 /nfs/dbraw/zinc/25/88/51/351258851.db2.gz XTXVMBLQTARQTA-SNVBAGLBSA-N 0 0 204.273 2.244 10 0 BEAERN CC(=O)N1C[C@@H](c2ncco2)Cc2ccccc21 ZINC000616691209 351259497 /nfs/dbraw/zinc/25/94/97/351259497.db2.gz XELIIMLSPKIBLS-LBPRGKRZSA-N 0 0 242.278 2.367 10 0 BEAERN NC(=O)N1C[C@@H](C(F)F)Cc2ccccc21 ZINC000616690349 351259552 /nfs/dbraw/zinc/25/95/52/351259552.db2.gz MVSSCPBZWAWSJF-QMMMGPOBSA-N 0 0 226.226 2.009 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ccncn2)C1 ZINC000616654141 351195557 /nfs/dbraw/zinc/19/55/57/351195557.db2.gz NNQSHGQYWOHLHO-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN CNc1cccc([C@H]2CCOCCN2C(C)=O)c1 ZINC000616657040 351196975 /nfs/dbraw/zinc/19/69/75/351196975.db2.gz HCBGQCMTLJJAAT-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN C[N@@H+]1CCOC[C@H](c2ccnc3ccccc32)C1 ZINC000616657224 351198332 /nfs/dbraw/zinc/19/83/32/351198332.db2.gz CLSBORMWYZEQHZ-GFCCVEGCSA-N 0 0 242.322 2.280 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2cocn2)C1 ZINC000616656023 351201692 /nfs/dbraw/zinc/20/16/92/351201692.db2.gz YWEMBWRWMVJKLN-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN COc1ccc([C@H]2CCOCCN2C(C)=O)cc1 ZINC000616658543 351204529 /nfs/dbraw/zinc/20/45/29/351204529.db2.gz VEVYHBAYCKHPLW-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CCOC(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC000616664964 351221611 /nfs/dbraw/zinc/22/16/11/351221611.db2.gz YWJHXVYOGLLFST-JTQLQIEISA-N 0 0 229.320 2.280 10 0 BEAERN c1nnoc1[C@@H]1CCc2ccccc2N1 ZINC000616665934 351224055 /nfs/dbraw/zinc/22/40/55/351224055.db2.gz DCVYHJGMSYDSNN-JTQLQIEISA-N 0 0 201.229 2.169 10 0 BEAERN c1cc([C@H]2CNc3ccccc3C2)no1 ZINC000616668787 351228024 /nfs/dbraw/zinc/22/80/24/351228024.db2.gz FUHOVUYBUPQZIB-SNVBAGLBSA-N 0 0 200.241 2.426 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@H]1c1conn1 ZINC000616669377 351228601 /nfs/dbraw/zinc/22/86/01/351228601.db2.gz HGMBFOUWNUMZLV-ZDUSSCGKSA-N 0 0 243.266 2.110 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nccc(SC)n1 ZINC000306881954 351288154 /nfs/dbraw/zinc/28/81/54/351288154.db2.gz MTOWCMGSQSIQBV-JGVFFNPUSA-N 0 0 209.318 2.409 10 0 BEAERN CC(F)(F)Cc1nnc(Br)o1 ZINC000306901561 351316214 /nfs/dbraw/zinc/31/62/14/351316214.db2.gz OPAGJRPIFRASLI-UHFFFAOYSA-N 0 0 227.008 2.030 10 0 BEAERN C[C@@H]1SCC[C@H]1Nc1cc(N)ns1 ZINC000306901983 351316664 /nfs/dbraw/zinc/31/66/64/351316664.db2.gz PJSIOASMORBTFU-NTSWFWBYSA-N 0 0 215.347 2.031 10 0 BEAERN [NH3+]Cc1cc(F)c(OC(F)F)cc1F ZINC000306906006 351320236 /nfs/dbraw/zinc/32/02/36/351320236.db2.gz YFYBHNATICLTSE-UHFFFAOYSA-N 0 0 209.142 2.025 10 0 BEAERN CC1(C)CSC[C@@](O)(C2=CCCO2)C1 ZINC000168047286 351272525 /nfs/dbraw/zinc/27/25/25/351272525.db2.gz NDFVWAUWITVCPP-LLVKDONJSA-N 0 0 214.330 2.185 10 0 BEAERN CC(C)c1ccc(C2N=NC(=S)N2N)cc1 ZINC000034972161 351369558 /nfs/dbraw/zinc/36/95/58/351369558.db2.gz NBUYYIIBGPYPQE-UHFFFAOYSA-N 0 0 234.328 2.071 10 0 BEAERN CC(C)NC(=[NH2+])c1ccc(Cl)cc1[O-] ZINC000306944846 351372488 /nfs/dbraw/zinc/37/24/88/351372488.db2.gz YYTSUXJAKOXVAY-UHFFFAOYSA-N 0 0 212.680 2.369 10 0 BEAERN O=Cc1c(Cl)nccc1OC(F)F ZINC000306944690 351372494 /nfs/dbraw/zinc/37/24/94/351372494.db2.gz YRFIQNJNMKTWEC-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN C[C@@H](O)CNc1cc(F)ccc1Cl ZINC000231817957 351377616 /nfs/dbraw/zinc/37/76/16/351377616.db2.gz LOFYZQCYLNIWCU-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN COC(=O)c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000306976776 351396350 /nfs/dbraw/zinc/39/63/50/351396350.db2.gz DMCLIYRKZYFNRS-UHFFFAOYSA-N 0 0 228.610 2.142 10 0 BEAERN OC[C@@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000306977300 351396370 /nfs/dbraw/zinc/39/63/70/351396370.db2.gz ASFOBJIDPFWHFP-MRVPVSSYSA-N 0 0 222.071 2.006 10 0 BEAERN Cc1ccc([C@@H]2CNC(=O)C2)cc1Cl ZINC000228773367 351346497 /nfs/dbraw/zinc/34/64/97/351346497.db2.gz GLTLTIBXCAFJKO-VIFPVBQESA-N 0 0 209.676 2.252 10 0 BEAERN CCCCCNC(=O)[C@@H](C)NCc1ccco1 ZINC000034938475 351353084 /nfs/dbraw/zinc/35/30/84/351353084.db2.gz NMGOMWCENJVZAW-LLVKDONJSA-N 0 0 238.331 2.064 10 0 BEAERN C[C@H]1C[C@H](n2cc(C=O)nn2)C[C@@H](C)C1 ZINC000252092658 363027095 /nfs/dbraw/zinc/02/70/95/363027095.db2.gz HIJFEVVVBYHYGU-JZYVYDRUSA-N 0 0 207.277 2.088 10 0 BEAERN CNc1nsnc1-c1csc(C)n1 ZINC000306940652 351362909 /nfs/dbraw/zinc/36/29/09/351362909.db2.gz HIKZIQRZEQCHBE-UHFFFAOYSA-N 0 0 212.303 2.012 10 0 BEAERN CCOC(=O)c1c(F)ccnc1Cl ZINC000307023740 351430046 /nfs/dbraw/zinc/43/00/46/351430046.db2.gz FWEXFDCZFGGEQE-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN C[C@@H]1[C@@H](C)CCN1c1nsnc1Cl ZINC000307028553 351430806 /nfs/dbraw/zinc/43/08/06/351430806.db2.gz LCVXGGTUYXLSTB-NTSWFWBYSA-N 0 0 217.725 2.426 10 0 BEAERN O=C(N[C@H]1CCSC1)OCc1ccccc1 ZINC000307025532 351434708 /nfs/dbraw/zinc/43/47/08/351434708.db2.gz JPMBGXUDDGCPON-NSHDSACASA-N 0 0 237.324 2.418 10 0 BEAERN COc1c(F)cc(F)c(C(C)=O)c1F ZINC000307027574 351435315 /nfs/dbraw/zinc/43/53/15/351435315.db2.gz CUKIMAORCYZKGO-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(O)cc1N ZINC000228855349 351441900 /nfs/dbraw/zinc/44/19/00/351441900.db2.gz LLNDDTCFWAYMHW-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2cc[nH]c(=O)c21 ZINC000307047806 351447026 /nfs/dbraw/zinc/44/70/26/351447026.db2.gz BNZVSBOKGSAMRM-UHFFFAOYSA-N 0 0 236.271 2.085 10 0 BEAERN C[C@@H]1CCN[C@@H](c2ccns2)S1 ZINC000404432631 351448986 /nfs/dbraw/zinc/44/89/86/351448986.db2.gz CCAPSRDGCTYCPD-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN CC[C@@H]1C[C@@H]1c1nc(Br)no1 ZINC000307055942 351456473 /nfs/dbraw/zinc/45/64/73/351456473.db2.gz ZPXQFSVRNFKOAI-UHNVWZDZSA-N 0 0 217.066 2.346 10 0 BEAERN O=c1ccc(NCc2ccccc2)c[nH]1 ZINC000307060424 351458220 /nfs/dbraw/zinc/45/82/20/351458220.db2.gz NOTYOJGCRMKKSD-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN CC1(C)CS[C@H](c2ccns2)N1 ZINC000404445912 351458960 /nfs/dbraw/zinc/45/89/60/351458960.db2.gz NTEFQIBZMJXEKQ-SSDOTTSWSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1CSC[C@H]1n1cc[nH]c1=S ZINC000306991579 351409813 /nfs/dbraw/zinc/40/98/13/351409813.db2.gz VHKWYQZXSXWQIB-RNFRBKRXSA-N 0 0 200.332 2.096 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@@H](C1CCC1)N2 ZINC000725268381 538100277 /nfs/dbraw/zinc/10/02/77/538100277.db2.gz PFHLGLYHXAZHHF-GXTWGEPZSA-N 0 0 233.311 2.193 10 0 BEAERN COc1nc([C@]2(O)CCC2(C)C)cs1 ZINC000307130077 351492936 /nfs/dbraw/zinc/49/29/36/351492936.db2.gz KMAYYLIENZBAOW-SNVBAGLBSA-N 0 0 213.302 2.159 10 0 BEAERN Cc1ccc([C@H](O)[C@H](C)O)cc1Cl ZINC000231986539 351494207 /nfs/dbraw/zinc/49/42/07/351494207.db2.gz PZILQDPZUWQQFH-OIBJUYFYSA-N 0 0 200.665 2.063 10 0 BEAERN CC(=O)Nc1cc(Br)c[nH]c1=S ZINC000307140608 351495477 /nfs/dbraw/zinc/49/54/77/351495477.db2.gz IZVREZDZFGZHAZ-UHFFFAOYSA-N 0 0 247.117 2.091 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@@H](O)C2(CCCC2)C1 ZINC000307156829 351507655 /nfs/dbraw/zinc/50/76/55/351507655.db2.gz GJSRKVQVCXMLIM-SNVBAGLBSA-N 0 0 241.331 2.158 10 0 BEAERN OC[C@H]1CCO[C@@H]1c1sccc1Cl ZINC000307160286 351511802 /nfs/dbraw/zinc/51/18/02/351511802.db2.gz VSAPGURKFWAJEA-SVRRBLITSA-N 0 0 218.705 2.471 10 0 BEAERN Cc1cc(C2CC(=O)CC(=O)C2)cs1 ZINC000307086295 351470658 /nfs/dbraw/zinc/47/06/58/351470658.db2.gz YSHZWRBCORCNCO-UHFFFAOYSA-N 0 0 208.282 2.462 10 0 BEAERN Clc1cncc(OC[C@H]2CCCCO2)n1 ZINC000019421166 180599883 /nfs/dbraw/zinc/59/98/83/180599883.db2.gz GKNTVAFGZIFNJJ-MRVPVSSYSA-N 0 0 228.679 2.078 10 0 BEAERN C[C@@H](CO)Nc1c(F)cccc1Br ZINC000307122920 351490715 /nfs/dbraw/zinc/49/07/15/351490715.db2.gz WRDLVYZWAFXQMO-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@H](CC1CC1)N2 ZINC000725268467 538100511 /nfs/dbraw/zinc/10/05/11/538100511.db2.gz RSEXETWTISIIQT-STQMWFEESA-N 0 0 233.311 2.193 10 0 BEAERN Cn1c2ccncc2nc1-c1ccc(O)cc1 ZINC000075251772 180606714 /nfs/dbraw/zinc/60/67/14/180606714.db2.gz VACDEQUXOAAECL-UHFFFAOYSA-N 0 0 225.251 2.341 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)C1[C@H](C)CCC[C@H]1C ZINC000252108097 363069391 /nfs/dbraw/zinc/06/93/91/363069391.db2.gz HITLCHJQBZFZBD-OPRDCNLKSA-N 0 0 213.321 2.216 10 0 BEAERN Cc1ncc([C@@H]2NC[C@H](C)CS2)s1 ZINC000307169441 351544886 /nfs/dbraw/zinc/54/48/86/351544886.db2.gz YFWPMICUMAYIDN-IMTBSYHQSA-N 0 0 214.359 2.423 10 0 BEAERN Clc1nccc(NC[C@H]2CCCCO2)n1 ZINC000051850155 180602684 /nfs/dbraw/zinc/60/26/84/180602684.db2.gz YUEUKSDZXTTWKX-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN Clc1nccc(NCc2ccccn2)n1 ZINC000051849414 180602803 /nfs/dbraw/zinc/60/28/03/180602803.db2.gz XKEFRSDXUHOABR-UHFFFAOYSA-N 0 0 220.663 2.137 10 0 BEAERN NC(=O)c1cc(C(F)F)c(F)cc1F ZINC000307173529 351564163 /nfs/dbraw/zinc/56/41/63/351564163.db2.gz PBCJGDVRBCZMBS-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN Cc1cc(N2C[C@H]3CCC[C@@H]32)nc(C)n1 ZINC000335792976 538100637 /nfs/dbraw/zinc/10/06/37/538100637.db2.gz GVVZPSTYSZNLIN-MNOVXSKESA-N 0 0 203.289 2.082 10 0 BEAERN OCc1cc(F)c(F)cc1OC(F)F ZINC000307181314 351572901 /nfs/dbraw/zinc/57/29/01/351572901.db2.gz RCROKLXWRMPWJN-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@@H](CC1CC1)N2 ZINC000725268465 538100696 /nfs/dbraw/zinc/10/06/96/538100696.db2.gz RSEXETWTISIIQT-OLZOCXBDSA-N 0 0 233.311 2.193 10 0 BEAERN CC(C)(C)C(=O)c1ncncc1Br ZINC000307197751 351599714 /nfs/dbraw/zinc/59/97/14/351599714.db2.gz SJHMACPRKSKWDW-UHFFFAOYSA-N 0 0 243.104 2.468 10 0 BEAERN OCC1CC(OCc2ccccc2F)C1 ZINC000606302337 351554665 /nfs/dbraw/zinc/55/46/65/351554665.db2.gz LMAVPQANRVCWPR-UHFFFAOYSA-N 0 0 210.248 2.113 10 0 BEAERN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942704 363073868 /nfs/dbraw/zinc/07/38/68/363073868.db2.gz HPKUMXLCLDGFQY-RKDXNWHRSA-N 0 0 238.287 2.136 10 0 BEAERN COC(=O)C[C@H]1COc2c1ccc(F)c2F ZINC000606302581 351557650 /nfs/dbraw/zinc/55/76/50/351557650.db2.gz QRBGDGUPKHVAQY-LURJTMIESA-N 0 0 228.194 2.004 10 0 BEAERN Cc1ccc(COC2CC(CO)C2)cc1 ZINC000606302762 351558587 /nfs/dbraw/zinc/55/85/87/351558587.db2.gz VOTVRYDWPWLKKV-UHFFFAOYSA-N 0 0 206.285 2.283 10 0 BEAERN FC(F)CNCCOCc1ccccc1 ZINC000307171682 351560379 /nfs/dbraw/zinc/56/03/79/351560379.db2.gz BHAXGIQHPCLUGY-UHFFFAOYSA-N 0 0 215.243 2.058 10 0 BEAERN COC(=O)C[C@H]1COc2cc(C)c(C)cc21 ZINC000606303741 351561495 /nfs/dbraw/zinc/56/14/95/351561495.db2.gz GTBWVIRKSUVRPP-JTQLQIEISA-N 0 0 220.268 2.343 10 0 BEAERN CC[C@H](C)[C@H]1Nc2cc(OC)ccc2C[C@@H]1O ZINC000725268597 538100714 /nfs/dbraw/zinc/10/07/14/538100714.db2.gz WNSOPUFCUBXQEF-QCZZGDTMSA-N 0 0 235.327 2.439 10 0 BEAERN CC[S@@](=O)Nc1ccc(Cl)c(N)c1 ZINC000307225173 351657145 /nfs/dbraw/zinc/65/71/45/351657145.db2.gz CPPWQAHWHQFCKE-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@H](C1CCC1)N2 ZINC000725268452 538100796 /nfs/dbraw/zinc/10/07/96/538100796.db2.gz RHFQPZOLNUKTMM-KBPBESRZSA-N 0 0 233.311 2.193 10 0 BEAERN Clc1ccc(CNc2cncnc2)o1 ZINC000232085223 351700106 /nfs/dbraw/zinc/70/01/06/351700106.db2.gz ANBPYMVVYRECRM-UHFFFAOYSA-N 0 0 209.636 2.335 10 0 BEAERN Cc1c[nH]c(C(=O)[C@H]2CO[C@@H](C)C2)c1C ZINC000307253978 351787911 /nfs/dbraw/zinc/78/79/11/351787911.db2.gz WNKVGADXFNACNB-WCBMZHEXSA-N 0 0 207.273 2.239 10 0 BEAERN O[C@@H](Cc1cncs1)C1CC(F)(F)C1 ZINC000307254411 351788646 /nfs/dbraw/zinc/78/86/46/351788646.db2.gz XUIFEHZNWOJERC-QMMMGPOBSA-N 0 0 219.256 2.092 10 0 BEAERN CS[C@H]1CCN(c2ccccc2C=O)C1 ZINC000307255775 351790344 /nfs/dbraw/zinc/79/03/44/351790344.db2.gz ZVJSEERMIPWDBR-NSHDSACASA-N 0 0 221.325 2.441 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1cccc(Br)n1 ZINC000307247765 351756619 /nfs/dbraw/zinc/75/66/19/351756619.db2.gz DUVRXSMPMNDMJA-NKWVEPMBSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)c1ccn(C)n1 ZINC000307252228 351770362 /nfs/dbraw/zinc/77/03/62/351770362.db2.gz RSFXORWNKKSYAF-NXEZZACHSA-N 0 0 206.289 2.429 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCO3)O1 ZINC000178017616 366076579 /nfs/dbraw/zinc/07/65/79/366076579.db2.gz OOZGGZLOVUZTRB-TVQRCGJNSA-N 0 0 247.294 2.128 10 0 BEAERN C[C@@H](NC1=N[C@H](C)CS1)C(F)(F)F ZINC000307286656 351852633 /nfs/dbraw/zinc/85/26/33/351852633.db2.gz RSVDZFPNEVTOMQ-RFZPGFLSSA-N 0 0 212.240 2.018 10 0 BEAERN Cn1cc(COc2c(N)cccc2Cl)cn1 ZINC000020353496 180653581 /nfs/dbraw/zinc/65/35/81/180653581.db2.gz UCNFKBZNZMIYFG-UHFFFAOYSA-N 0 0 237.690 2.235 10 0 BEAERN Cn1cc(COc2cccc3c2NCCC3)cn1 ZINC000038056336 180653911 /nfs/dbraw/zinc/65/39/11/180653911.db2.gz NSPQQNYCUIAPHZ-UHFFFAOYSA-N 0 0 243.310 2.357 10 0 BEAERN COC(=O)Oc1ccc(Br)cc1N ZINC000307281801 351844020 /nfs/dbraw/zinc/84/40/20/351844020.db2.gz KEDXFNMCVATGSL-UHFFFAOYSA-N 0 0 246.060 2.177 10 0 BEAERN C[C@@H]1CN(C2=NC(=O)CS2)C[C@@H](C)S1 ZINC000307281806 351844437 /nfs/dbraw/zinc/84/44/37/351844437.db2.gz KEOPSLQAPYZAAK-RNFRBKRXSA-N 0 0 230.358 2.179 10 0 BEAERN Cn1cc(C[C@@H]2CCCCCC2=O)cn1 ZINC000050540500 180653199 /nfs/dbraw/zinc/65/31/99/180653199.db2.gz BKDLRGRRLWXPHU-NSHDSACASA-N 0 0 206.289 2.112 10 0 BEAERN CCNc1ncc(C(=O)N[C@H](C)C(C)C)s1 ZINC000176952117 187565578 /nfs/dbraw/zinc/56/55/78/187565578.db2.gz ZFJSOXYBXMJAHT-MRVPVSSYSA-N 0 0 241.360 2.349 10 0 BEAERN CCc1nc([C@H]2NCCS2)cs1 ZINC000307330879 352047406 /nfs/dbraw/zinc/04/74/06/352047406.db2.gz OELXCOKMUGHHBE-QMMMGPOBSA-N 0 0 200.332 2.041 10 0 BEAERN CC(F)(F)[C@@H](NN)c1ccccc1Cl ZINC000307336072 352052555 /nfs/dbraw/zinc/05/25/55/352052555.db2.gz NNPDXWBJXYVKFO-QMMMGPOBSA-N 0 0 220.650 2.500 10 0 BEAERN CC1(C)SC[C@@H]1n1cc[nH]c1=S ZINC000307337114 352056675 /nfs/dbraw/zinc/05/66/75/352056675.db2.gz OUJYUAOJRSHIAN-LURJTMIESA-N 0 0 200.332 2.238 10 0 BEAERN CC(=O)OCc1cocc2c(C=O)ccc1-2 ZINC000005166240 187586323 /nfs/dbraw/zinc/58/63/23/187586323.db2.gz QIUOVIRIFZOCLL-UHFFFAOYSA-N 0 0 218.208 2.260 10 0 in-vitro BEAERN CC(=O)[C@@H](Cn1nnc2ccccc21)C(C)C ZINC000005285026 187586401 /nfs/dbraw/zinc/58/64/01/187586401.db2.gz QIAUSPRJAPQPAV-NSHDSACASA-N 0 0 231.299 2.293 10 0 BEAERN CCNC(=O)c1c(C)csc1Cl ZINC000307327540 352023737 /nfs/dbraw/zinc/02/37/37/352023737.db2.gz VAIYJYJRDVBQFK-UHFFFAOYSA-N 0 0 203.694 2.460 10 0 BEAERN CC(=O)CC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000037839184 187598294 /nfs/dbraw/zinc/59/82/94/187598294.db2.gz IUYHLOWXLBCURM-UHFFFAOYSA-N 0 0 249.285 2.296 10 0 BEAERN CC(C)Cc1nccc(Br)n1 ZINC000044117122 187606864 /nfs/dbraw/zinc/60/68/64/187606864.db2.gz BQWPFCWSAYYGEY-UHFFFAOYSA-N 0 0 215.094 2.438 10 0 BEAERN COC(=O)c1cc(O)cc(C(C)(C)C)c1 ZINC000044185391 352202713 /nfs/dbraw/zinc/20/27/13/352202713.db2.gz GNUABCZRDPZNRB-UHFFFAOYSA-N 0 0 208.257 2.476 10 0 BEAERN Cc1c(N)ccc(F)c1NC(=O)C(F)(F)F ZINC000300917815 363119354 /nfs/dbraw/zinc/11/93/54/363119354.db2.gz KUCGBKUIKROPHM-UHFFFAOYSA-N 0 0 236.168 2.217 10 0 BEAERN C[NH+](C)[C@@H](C(=O)[O-])C1CCCCCCC1 ZINC000300917528 363119834 /nfs/dbraw/zinc/11/98/34/363119834.db2.gz ZANFSXMKDYCFBR-LLVKDONJSA-N 0 0 213.321 2.362 10 0 BEAERN COc1ccc(CNc2cnns2)cc1C ZINC000083362330 187623907 /nfs/dbraw/zinc/62/39/07/187623907.db2.gz MHHPPADSLBIUMI-UHFFFAOYSA-N 0 0 235.312 2.467 10 0 BEAERN CC1(C)C[C@H]1C(=O)Nc1cccc(O)c1 ZINC000130175902 187625686 /nfs/dbraw/zinc/62/56/86/187625686.db2.gz RKGNHBONWULRIL-JTQLQIEISA-N 0 0 205.257 2.377 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000252114893 363123625 /nfs/dbraw/zinc/12/36/25/363123625.db2.gz IJFGSRTVWXCKBM-GMTAPVOTSA-N 0 0 213.321 2.216 10 0 BEAERN CN(C)c1cncc(OC2CC2)c1Cl ZINC000095726450 187628220 /nfs/dbraw/zinc/62/82/20/187628220.db2.gz AVSVNVDMXMVFQF-UHFFFAOYSA-N 0 0 212.680 2.342 10 0 BEAERN CC1(C)CC[C@H]1Nc1cccc(OCC(N)=O)c1 ZINC000310937246 187657832 /nfs/dbraw/zinc/65/78/32/187657832.db2.gz NBMBQVLQVDYACJ-GFCCVEGCSA-N 0 0 248.326 2.151 10 0 BEAERN CCCC[C@H](C)C(=O)N1CC[C@H](CCO)C1 ZINC000301005933 187658715 /nfs/dbraw/zinc/65/87/15/187658715.db2.gz YWXXHPKMGOXKCV-NWDGAFQWSA-N 0 0 227.348 2.044 10 0 BEAERN CN(C)[S@](C)(=O)=NC[C@@H]1CCC[C@@H](F)C1 ZINC000725271001 538103117 /nfs/dbraw/zinc/10/31/17/538103117.db2.gz XJZLUCFKAGJVMF-IQMDTDKHSA-N 0 0 236.356 2.089 10 0 BEAERN [NH3+]Cc1ccc(-c2cccc(C(=O)[O-])c2)nc1F ZINC000725270989 538103119 /nfs/dbraw/zinc/10/31/19/538103119.db2.gz WYWJMWLSKBCITD-UHFFFAOYSA-N 0 0 246.241 2.045 10 0 BEAERN CC(C)CC(=O)N[C@@H]1CCc2c1cccc2N ZINC000725271436 538103122 /nfs/dbraw/zinc/10/31/22/538103122.db2.gz MWBXOIJTSDZEMQ-CYBMUJFWSA-N 0 0 232.327 2.418 10 0 BEAERN CC(C)(C)C(=O)N[C@H]1CCc2c1cccc2N ZINC000725271608 538103442 /nfs/dbraw/zinc/10/34/42/538103442.db2.gz QPAQNUAFJMKMGP-LBPRGKRZSA-N 0 0 232.327 2.418 10 0 BEAERN Clc1ncnc2cc(Br)[nH]c21 ZINC000307369994 352457209 /nfs/dbraw/zinc/45/72/09/352457209.db2.gz OZSXLMALDPTWEO-UHFFFAOYSA-N 0 0 232.468 2.325 10 0 BEAERN Nc1cccc2c1CC[C@@H]2NC(=O)CC1CC1 ZINC000725271953 538103624 /nfs/dbraw/zinc/10/36/24/538103624.db2.gz WOXHQFWFDXCVAR-ZDUSSCGKSA-N 0 0 230.311 2.172 10 0 BEAERN CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000725271962 538103954 /nfs/dbraw/zinc/10/39/54/538103954.db2.gz WSUZLLBJWWFDJQ-GJMOJQLCSA-N 0 0 239.237 2.028 10 0 BEAERN COc1cnc(I)c(C)c1 ZINC000299889389 352549646 /nfs/dbraw/zinc/54/96/46/352549646.db2.gz IQZWUKFUESZSGU-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN CC(C)n1nc(Br)c2cncnc21 ZINC000211347243 352526579 /nfs/dbraw/zinc/52/65/79/352526579.db2.gz QYQZXCLCZMGUOO-UHFFFAOYSA-N 0 0 241.092 2.170 10 0 BEAERN COc1ncc(C(=O)c2ccsc2)s1 ZINC000307418412 352591515 /nfs/dbraw/zinc/59/15/15/352591515.db2.gz WZJRRGMUPFKKAE-UHFFFAOYSA-N 0 0 225.294 2.444 10 0 BEAERN Clc1cc(NCC[C@H]2CCCO2)cnn1 ZINC000229124124 352591569 /nfs/dbraw/zinc/59/15/69/352591569.db2.gz YDYQSNIEXHZHEP-SECBINFHSA-N 0 0 227.695 2.111 10 0 BEAERN CCc1nn2c3c(nc2s1)[C@@H](C)CC3 ZINC000232279207 352592574 /nfs/dbraw/zinc/59/25/74/352592574.db2.gz WKSJXCFMBPIYPJ-LURJTMIESA-N 0 0 207.302 2.403 10 0 BEAERN Cc1nn2cc(-c3cncs3)nc2s1 ZINC000232279830 352592657 /nfs/dbraw/zinc/59/26/57/352592657.db2.gz OMTGYJCHGHXWAT-UHFFFAOYSA-N 0 0 222.298 2.223 10 0 BEAERN O[C@H](Cc1csnn1)c1sccc1F ZINC000307479310 352618664 /nfs/dbraw/zinc/61/86/64/352618664.db2.gz JIBAFICDXGATNQ-SSDOTTSWSA-N 0 0 230.289 2.015 10 0 BEAERN CC[S@@](=O)Nc1cc(Cl)ccc1N ZINC000307445769 352601954 /nfs/dbraw/zinc/60/19/54/352601954.db2.gz VVLRWAZTVJKCRS-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN C[C@H]1SCCC[C@H]1Nc1cnns1 ZINC000232290901 352606246 /nfs/dbraw/zinc/60/62/46/352606246.db2.gz OFWZOOBDNIXDNQ-RNFRBKRXSA-N 0 0 215.347 2.234 10 0 BEAERN c1ccc(CNC2=N[C@@]3(CCOC3)CS2)cc1 ZINC000307460759 352610318 /nfs/dbraw/zinc/61/03/18/352610318.db2.gz DBGZFKBUBFDQNF-CYBMUJFWSA-N 0 0 248.351 2.038 10 0 BEAERN CCOC(=O)c1cc(Br)cc(F)n1 ZINC000307460906 352611148 /nfs/dbraw/zinc/61/11/48/352611148.db2.gz ITGYEYQOPLZYIQ-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN C[C@@H]1SCCC[C@@]1(O)c1ccsn1 ZINC000307471950 352613896 /nfs/dbraw/zinc/61/38/96/352613896.db2.gz QERHXYASBUPBIQ-CBAPKCEASA-N 0 0 215.343 2.246 10 0 BEAERN COC(=O)c1c(F)cccc1-c1ncco1 ZINC000498035919 352568525 /nfs/dbraw/zinc/56/85/25/352568525.db2.gz ZKBADWNMXIVWDS-UHFFFAOYSA-N 0 0 221.187 2.267 10 0 BEAERN Cc1cc(-c2nccc(C=O)n2)cs1 ZINC000307392888 352569236 /nfs/dbraw/zinc/56/92/36/352569236.db2.gz KYISGCRCVBUFKE-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN C[C@]1(c2nnc(Br)s2)C[C@H]1F ZINC000307404497 352579931 /nfs/dbraw/zinc/57/99/31/352579931.db2.gz CPPRJMCRNJRWPQ-CVYQJGLWSA-N 0 0 237.097 2.300 10 0 BEAERN C[C@@]1(c2nnc(Br)s2)C[C@H]1F ZINC000307404490 352580036 /nfs/dbraw/zinc/58/00/36/352580036.db2.gz CPPRJMCRNJRWPQ-AWFVSMACSA-N 0 0 237.097 2.300 10 0 BEAERN Nc1cc(N)c(Cl)c(OC(F)(F)F)c1 ZINC000307407431 352581768 /nfs/dbraw/zinc/58/17/68/352581768.db2.gz CMBBVXYDKXHOBG-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN Cc1ncc([C@@H]2N[C@@H](C)CS2)s1 ZINC000307533597 352638565 /nfs/dbraw/zinc/63/85/65/352638565.db2.gz IOGXHFFFFLKDHB-YLWLKBPMSA-N 0 0 200.332 2.175 10 0 BEAERN Fc1cc(=S)c(Br)c[nH]1 ZINC000307535188 352640059 /nfs/dbraw/zinc/64/00/59/352640059.db2.gz QXMVYYLHWWZUAQ-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCC12CCCC2 ZINC000307534792 352641152 /nfs/dbraw/zinc/64/11/52/352641152.db2.gz HSXWRACZHBXTBN-SNVBAGLBSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCN1c1ccnc(Br)c1 ZINC000307550057 352647231 /nfs/dbraw/zinc/64/72/31/352647231.db2.gz XJSYFUGOTOWSKU-SSDOTTSWSA-N 0 0 227.105 2.443 10 0 BEAERN CCCC1CCN(C2=NC(=O)CS2)CC1 ZINC000307549401 352647401 /nfs/dbraw/zinc/64/74/01/352647401.db2.gz NKUCOTTVBWZNLR-UHFFFAOYSA-N 0 0 226.345 2.128 10 0 BEAERN C[C@H]1CCC[C@@]1(O)CNc1nsnc1Cl ZINC000307548884 352647468 /nfs/dbraw/zinc/64/74/68/352647468.db2.gz VTFHCQQIPUPPJW-IMTBSYHQSA-N 0 0 247.751 2.155 10 0 BEAERN COc1c(F)cc(N)cc1C(F)(F)F ZINC000307559162 352649365 /nfs/dbraw/zinc/64/93/65/352649365.db2.gz NVEYJXLDBMVZKN-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN FC(F)c1cc(Cl)n([C@@H]2CCOC2)n1 ZINC000307562362 352650708 /nfs/dbraw/zinc/65/07/08/352650708.db2.gz KRKHHYFUZKGJKN-RXMQYKEDSA-N 0 0 222.622 2.436 10 0 BEAERN Clc1cncc(NCC[C@@H]2CCCO2)n1 ZINC000044377293 352652633 /nfs/dbraw/zinc/65/26/33/352652633.db2.gz AORXVUWVMNDLGF-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN Nc1cccc(F)c1-n1cc(Cl)cn1 ZINC000307563597 352652672 /nfs/dbraw/zinc/65/26/72/352652672.db2.gz PPFBSXCQRBPKSE-UHFFFAOYSA-N 0 0 211.627 2.247 10 0 BEAERN CC1(C)CC[C@]1(C(=O)[O-])[NH+]1CCCCC1 ZINC000307561661 352653988 /nfs/dbraw/zinc/65/39/88/352653988.db2.gz JNELDFLVNHJASA-GFCCVEGCSA-N 0 0 211.305 2.116 10 0 BEAERN O=Cc1cnc(-c2ccc(O)c(F)c2)s1 ZINC000232447819 352667768 /nfs/dbraw/zinc/66/77/68/352667768.db2.gz XVXZYYVZZVQLJL-UHFFFAOYSA-N 0 0 223.228 2.467 10 0 BEAERN O=Cc1cncn1[C@H]1CCC(F)(F)C1 ZINC000307503207 352630464 /nfs/dbraw/zinc/63/04/64/352630464.db2.gz WXMZEWNKHKGKAP-ZETCQYMHSA-N 0 0 200.188 2.056 10 0 BEAERN O=Cc1cccc(C2=CCCOC2)c1F ZINC000725273322 538105001 /nfs/dbraw/zinc/10/50/01/538105001.db2.gz VDFUAKIDYFGPEI-UHFFFAOYSA-N 0 0 206.216 2.442 10 0 BEAERN COc1ccc(Cl)c2c1CCCNC2=O ZINC000725273287 538105039 /nfs/dbraw/zinc/10/50/39/538105039.db2.gz SNXYUWZXEGYADX-UHFFFAOYSA-N 0 0 225.675 2.025 10 0 BEAERN C[C@@H](O)CNc1cccc(Br)c1 ZINC000032015866 352740931 /nfs/dbraw/zinc/74/09/31/352740931.db2.gz RCWVYORDINIIDA-SSDOTTSWSA-N 0 0 230.105 2.242 10 0 BEAERN COC(=O)c1cc(O)cc(Cl)c1Cl ZINC000307669957 352749464 /nfs/dbraw/zinc/74/94/64/352749464.db2.gz OXJHLDKONGURTM-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN Clc1nsnc1N1CCC2(CC2)C1 ZINC000307673154 352750751 /nfs/dbraw/zinc/75/07/51/352750751.db2.gz ATZJXLBAVVOYFZ-UHFFFAOYSA-N 0 0 215.709 2.182 10 0 BEAERN CC(F)(F)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000335695439 535187631 /nfs/dbraw/zinc/18/76/31/535187631.db2.gz FGVWRUURVMRELV-VHSXEESVSA-N 0 0 247.285 2.202 10 0 BEAERN CCCCCC[C@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000037967357 168679072 /nfs/dbraw/zinc/67/90/72/168679072.db2.gz SOFAYQITNAMGRC-NSHDSACASA-N 0 0 213.321 2.410 10 0 BEAERN CCCCCC[S@@](=O)CC(=O)C(F)(F)F ZINC000013492592 168680703 /nfs/dbraw/zinc/68/07/03/168680703.db2.gz LSJUTEXGKKBNFU-HNNXBMFYSA-N 0 0 244.278 2.447 10 0 in-vivo BEAERN Cc1c[nH]cc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000334341257 352977406 /nfs/dbraw/zinc/97/74/06/352977406.db2.gz ODVMJDJFEMKGKN-QWHCGFSZSA-N 0 0 248.326 2.107 10 0 BEAERN COc1cnc(-c2ccco2)nc1Cl ZINC000306499155 353020198 /nfs/dbraw/zinc/02/01/98/353020198.db2.gz ICDRSIZAFHTLQU-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN COc1cc(C(C)=O)c(F)c(F)c1F ZINC000306517316 353021168 /nfs/dbraw/zinc/02/11/68/353021168.db2.gz FSNIKEUBGZPPJY-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN Cn1ncc2c1C[C@H](c1ccc(F)cc1)C[C@@H]2O ZINC000072415851 180827577 /nfs/dbraw/zinc/82/75/77/180827577.db2.gz HJXJJPFRRPXUKR-HZMBPMFUSA-N 0 0 246.285 2.323 10 0 BEAERN Cc1ccc([C@@]2(O)CCOC[C@H]2C)s1 ZINC000300958631 363201363 /nfs/dbraw/zinc/20/13/63/363201363.db2.gz GBQXBLVGDOZGFT-LDYMZIIASA-N 0 0 212.314 2.301 10 0 BEAERN Nc1ccc(SC[C@@H]2CCOCO2)cc1 ZINC000037181578 187932695 /nfs/dbraw/zinc/93/26/95/187932695.db2.gz DJFSRCFVZRBUIO-JTQLQIEISA-N 0 0 225.313 2.124 10 0 BEAERN Nc1cnc(-c2ccsc2Cl)nc1 ZINC000306238291 352998830 /nfs/dbraw/zinc/99/88/30/352998830.db2.gz POMBQIQPQQPJOF-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN COc1cc(-c2nsnc2Cl)sn1 ZINC000306320430 353003596 /nfs/dbraw/zinc/00/35/96/353003596.db2.gz JVVFDFIKDCGXBJ-UHFFFAOYSA-N 0 0 233.705 2.324 10 0 BEAERN Cc1ncc([C@H](C)N2CC(F)C2)s1 ZINC000306362520 353007196 /nfs/dbraw/zinc/00/71/96/353007196.db2.gz TVFVEYOKYOTFRK-LURJTMIESA-N 0 0 200.282 2.166 10 0 BEAERN CC(C)(CO)c1cc(Cl)nnc1Cl ZINC000031494641 187938285 /nfs/dbraw/zinc/93/82/85/187938285.db2.gz JCUPTUDLHBGJHJ-UHFFFAOYSA-N 0 0 221.087 2.053 10 0 BEAERN CC(C)[C@H](CC(=O)[O-])[NH+]1CCCCCC1 ZINC000070821310 187939835 /nfs/dbraw/zinc/93/98/35/187939835.db2.gz OVFVFUFTHAAMAL-NSHDSACASA-N 0 0 213.321 2.362 10 0 BEAERN CN(C)c1ccc(Br)c(C=O)c1 ZINC000090668858 187973407 /nfs/dbraw/zinc/97/34/07/187973407.db2.gz GWQSBLOOKPOMIM-UHFFFAOYSA-N 0 0 228.089 2.328 10 0 BEAERN C[S@@](=O)(=Nc1cn[nH]c1)c1ccccc1 ZINC000536950238 323953881 /nfs/dbraw/zinc/95/38/81/323953881.db2.gz DYPMTPHTNHAENG-HNNXBMFYSA-N 0 0 221.285 2.198 10 0 BEAERN Brc1nc(C2CC2)cn2ccnc12 ZINC000044120639 187950005 /nfs/dbraw/zinc/95/00/05/187950005.db2.gz FYEOQXUHHLSRBB-UHFFFAOYSA-N 0 0 238.088 2.369 10 0 BEAERN CCNc1nc2ccsc2c(NC)n1 ZINC000306772953 353037808 /nfs/dbraw/zinc/03/78/08/353037808.db2.gz IBFYTLIORNCZEV-UHFFFAOYSA-N 0 0 208.290 2.165 10 0 BEAERN O=Cc1ccc(N2CCC2)c(Br)c1 ZINC000306785050 353037811 /nfs/dbraw/zinc/03/78/11/353037811.db2.gz IUDTVTZQXNVNIR-UHFFFAOYSA-N 0 0 240.100 2.472 10 0 BEAERN Cc1ccc(CC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000058963832 187956368 /nfs/dbraw/zinc/95/63/68/187956368.db2.gz VUELVNYKACVAML-CQSZACIVSA-N 0 0 247.338 2.175 10 0 BEAERN CC(C)(NC1CSC1)c1nccs1 ZINC000306823153 353041538 /nfs/dbraw/zinc/04/15/38/353041538.db2.gz OZRQOIXOOYXNAM-UHFFFAOYSA-N 0 0 214.359 2.083 10 0 BEAERN COc1cc(OC)cc(-c2ncccc2O)c1 ZINC000065339358 187958680 /nfs/dbraw/zinc/95/86/80/187958680.db2.gz TVVJNBNVOIIUSI-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN C[C@H](Nc1nccnc1Cl)C(F)F ZINC000306952762 353047315 /nfs/dbraw/zinc/04/73/15/353047315.db2.gz FGQCNGIOTZGKKW-BYPYZUCNSA-N 0 0 207.611 2.196 10 0 BEAERN CSc1ccc(-c2nc(C)nc(N)n2)cc1 ZINC000082546662 187967884 /nfs/dbraw/zinc/96/78/84/187967884.db2.gz MWYOMPLCVYAIPC-UHFFFAOYSA-N 0 0 232.312 2.151 10 0 BEAERN Brc1nccc2c1CCCN2 ZINC000095762335 187975133 /nfs/dbraw/zinc/97/51/33/187975133.db2.gz VINCEROACRAKFL-UHFFFAOYSA-N 0 0 213.078 2.202 10 0 BEAERN N#CNc1cc(Br)ccc1F ZINC000052832415 353108369 /nfs/dbraw/zinc/10/83/69/353108369.db2.gz QGHJSEVUVMRDLW-UHFFFAOYSA-N 0 0 215.025 2.481 10 0 BEAERN Cc1nc(Cl)cc(-n2cc(Cl)cn2)n1 ZINC000052837604 353108585 /nfs/dbraw/zinc/10/85/85/353108585.db2.gz PBLKERYQVDXEDB-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN CCCn1nc(-c2ccccc2)c2c(N)n[nH]c21 ZINC000104266942 187978357 /nfs/dbraw/zinc/97/83/57/187978357.db2.gz CJIYJSABFHVWMV-UHFFFAOYSA-N 0 0 241.298 2.419 10 0 BEAERN CC(C)(NC1=NCCS1)c1nccs1 ZINC000232536719 353113800 /nfs/dbraw/zinc/11/38/00/353113800.db2.gz FCJIOQMQYGMBFU-UHFFFAOYSA-N 0 0 227.358 2.071 10 0 BEAERN CCNC(=O)Nc1cccc(N)c1Cl ZINC000307726841 353113903 /nfs/dbraw/zinc/11/39/03/353113903.db2.gz DPCKERISIHEBEC-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN O=C([C@H]1CCCC1(F)F)N1CCCC1 ZINC000307686441 353093202 /nfs/dbraw/zinc/09/32/02/353093202.db2.gz AYKKPJPDYFNFOA-MRVPVSSYSA-N 0 0 203.232 2.044 10 0 BEAERN Clc1nc(NCc2cc[nH]n2)cs1 ZINC000307706100 353094892 /nfs/dbraw/zinc/09/48/92/353094892.db2.gz ZKSJSSVZFNHJRP-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN COc1cc(C)cc(C)c1-c1nccc(N)n1 ZINC000083266921 188008248 /nfs/dbraw/zinc/00/82/48/188008248.db2.gz UMBVPPSNYSXZCL-UHFFFAOYSA-N 0 0 229.283 2.351 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CCCC(=O)CC1 ZINC000083324181 188009014 /nfs/dbraw/zinc/00/90/14/188009014.db2.gz RNYJEXKDUIEGRX-VIFPVBQESA-N 0 0 227.304 2.413 10 0 BEAERN CC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000032013250 188010665 /nfs/dbraw/zinc/01/06/65/188010665.db2.gz WBFXVLLRPPKDPE-QWRGUYRKSA-N 0 0 218.252 2.150 10 0 BEAERN CC(=O)N[C@H](C)CSc1ccccc1 ZINC000058584099 188012412 /nfs/dbraw/zinc/01/24/12/188012412.db2.gz DCKGVDQXKBHNLI-SECBINFHSA-N 0 0 209.314 2.303 10 0 BEAERN Cc1cc([C@@]2(O)CS[C@H](C)C2)sn1 ZINC000307746006 353125443 /nfs/dbraw/zinc/12/54/43/353125443.db2.gz UDKRBHHSWSHLHW-APPZFPTMSA-N 0 0 215.343 2.165 10 0 BEAERN Cc1cc(N)n([C@H](C)Cc2ccco2)n1 ZINC000062772188 188013598 /nfs/dbraw/zinc/01/35/98/188013598.db2.gz CMHIDTOXQCJGLR-SECBINFHSA-N 0 0 205.261 2.170 10 0 BEAERN Cc1cc(-c2nn(C)c(=S)[nH]2)cs1 ZINC000307760737 353130392 /nfs/dbraw/zinc/13/03/92/353130392.db2.gz WSVQPTXPSHREFN-UHFFFAOYSA-N 0 0 211.315 2.141 10 0 BEAERN Cc1sc([C@@H]2CCSC2)nc1N ZINC000405146619 353131927 /nfs/dbraw/zinc/13/19/27/353131927.db2.gz YCIRLEVNHYZBNY-ZCFIWIBFSA-N 0 0 200.332 2.254 10 0 BEAERN CC(C)(O)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000232576138 353136618 /nfs/dbraw/zinc/13/66/18/353136618.db2.gz LKIGHEOAZWOQQK-WDEREUQCSA-N 0 0 204.269 2.130 10 0 BEAERN CC(C)[C@H](C)NC(=O)/C=C/c1ccco1 ZINC000298066708 188040980 /nfs/dbraw/zinc/04/09/80/188040980.db2.gz CNLCCXMHTPVWPM-FGEFZZPRSA-N 0 0 207.273 2.454 10 0 BEAERN COc1ccc(C)nc1NC(=O)N1CC2(CC2)C1 ZINC000333306648 188054578 /nfs/dbraw/zinc/05/45/78/188054578.db2.gz CXAFEKWDSUPBEY-UHFFFAOYSA-N 0 0 247.298 2.026 10 0 BEAERN Cc1nc(Cl)nc(NCC(C)C)c1N ZINC000232632129 353150211 /nfs/dbraw/zinc/15/02/11/353150211.db2.gz KIOXFRUOFXXXKK-UHFFFAOYSA-N 0 0 214.700 2.089 10 0 BEAERN C[C@@H](CNC(=O)N[C@H](C)C(C)(C)C)C[C@H](C)O ZINC000246867237 538109889 /nfs/dbraw/zinc/10/98/89/538109889.db2.gz BCFABRSHONZZJQ-OUAUKWLOSA-N 0 0 244.379 2.127 10 0 BEAERN O[C@H](Cc1ccc(Cl)cc1)c1cn[nH]c1 ZINC000309037449 538110175 /nfs/dbraw/zinc/11/01/75/538110175.db2.gz HBOPJTCYYPDDMU-LLVKDONJSA-N 0 0 222.675 2.339 10 0 BEAERN CCOC(OCC)[C@H]1C[C@@H](C)CCC1=O ZINC000121996214 538110293 /nfs/dbraw/zinc/11/02/93/538110293.db2.gz ULDPLXGGGQASCW-UWVGGRQHSA-N 0 0 214.305 2.391 10 0 BEAERN FC(F)(F)[C@H](NCc1ccccc1)[C@H]1CO1 ZINC000021988061 180888924 /nfs/dbraw/zinc/88/89/24/180888924.db2.gz MQDUDZLVXQXSAI-NXEZZACHSA-N 0 0 231.217 2.106 10 0 BEAERN FC(F)(F)CCOc1cnnc(Cl)c1 ZINC000091366204 180881980 /nfs/dbraw/zinc/88/19/80/180881980.db2.gz HBIHLLUKLCLKNG-UHFFFAOYSA-N 0 0 226.585 2.461 10 0 BEAERN FC(F)(F)[C@H]1N[C@H](c2ccccc2)CO1 ZINC000080443158 180891616 /nfs/dbraw/zinc/89/16/16/180891616.db2.gz KWZQDMRRNOKEII-IUCAKERBSA-N 0 0 217.190 2.236 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1coc(C2CCCC2)n1 ZINC000332730218 538111481 /nfs/dbraw/zinc/11/14/81/538111481.db2.gz YVHJRPPDUCPRIW-WCBMZHEXSA-N 0 0 234.299 2.470 10 0 BEAERN FC(F)(F)c1cc2c(cn1)CCCN2 ZINC000095762336 180892502 /nfs/dbraw/zinc/89/25/02/180892502.db2.gz MTHQBMZAZYJEAK-UHFFFAOYSA-N 0 0 202.179 2.459 10 0 BEAERN CCCCCNC(=O)c1cccc2[nH][nH]c(=O)c21 ZINC000025982636 168713628 /nfs/dbraw/zinc/71/36/28/168713628.db2.gz JIAUOUASSSLCHX-UHFFFAOYSA-N 0 0 247.298 2.189 10 0 BEAERN O=Cc1onc2cc(Br)ccc12 ZINC000216198400 538111673 /nfs/dbraw/zinc/11/16/73/538111673.db2.gz SIZAFZAVYLLEHP-UHFFFAOYSA-N 0 0 226.029 2.403 10 0 BEAERN FC(F)(F)c1ccnc(N[C@H]2CCCOC2)n1 ZINC000113197569 180896722 /nfs/dbraw/zinc/89/67/22/180896722.db2.gz CWBKUOPOGBHVMN-ZETCQYMHSA-N 0 0 247.220 2.086 10 0 BEAERN CC(C)NC(=O)C1=CC(=S)CS1 ZINC000232702630 353252299 /nfs/dbraw/zinc/25/22/99/353252299.db2.gz NDSWCQJUIBOYDC-UHFFFAOYSA-N 0 0 201.316 2.175 10 0 BEAERN C[C@@]1(Nc2ccncc2Cl)CCOC1 ZINC000229478883 353270406 /nfs/dbraw/zinc/27/04/06/353270406.db2.gz VLFSOAMHPPDXKM-SNVBAGLBSA-N 0 0 212.680 2.326 10 0 BEAERN CN(c1nc(Cl)nc(Cl)n1)C1CCC1 ZINC000127670239 353274424 /nfs/dbraw/zinc/27/44/24/353274424.db2.gz LCIRAMZHIQDTMI-UHFFFAOYSA-N 0 0 233.102 2.167 10 0 BEAERN CC(C)Oc1c(N)cncc1Br ZINC000232712257 353266198 /nfs/dbraw/zinc/26/61/98/353266198.db2.gz WSANJFGCQMVAJQ-UHFFFAOYSA-N 0 0 231.093 2.214 10 0 BEAERN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000253593459 188258567 /nfs/dbraw/zinc/25/85/67/188258567.db2.gz VYTBNPDBBXETGQ-RTXFEEFZSA-N 0 0 241.290 2.388 10 0 BEAERN CC(=O)CCC(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000374358111 188250614 /nfs/dbraw/zinc/25/06/14/188250614.db2.gz ATGRNNMKSYYOAI-NEPJUHHUSA-N 0 0 223.316 2.147 10 0 BEAERN CCNc1ncc(C(=O)N[C@@H](C)C(C)C)s1 ZINC000176952105 188252657 /nfs/dbraw/zinc/25/26/57/188252657.db2.gz ZFJSOXYBXMJAHT-QMMMGPOBSA-N 0 0 241.360 2.349 10 0 BEAERN CC(C)CSCc1nsc(N(C)C)n1 ZINC000124707817 188257240 /nfs/dbraw/zinc/25/72/40/188257240.db2.gz FOJCMFXODFFXBJ-UHFFFAOYSA-N 0 0 231.390 2.493 10 0 BEAERN Nc1ccc(SCCCO)c(Cl)c1 ZINC000037116125 188279817 /nfs/dbraw/zinc/27/98/17/188279817.db2.gz PTBOBMRXDMCAIL-UHFFFAOYSA-N 0 0 217.721 2.397 10 0 BEAERN CC(=O)Nc1ccc(NC[C@@H]2CCCO2)cc1 ZINC000020037923 188282130 /nfs/dbraw/zinc/28/21/30/188282130.db2.gz IVIWUVJLRGHUQY-ZDUSSCGKSA-N 0 0 234.299 2.236 10 0 BEAERN CC(=O)Nc1cccc(NC[C@@H]2CCCO2)c1 ZINC000020049763 188282183 /nfs/dbraw/zinc/28/21/83/188282183.db2.gz LQNHRHNKUMNNDO-ZDUSSCGKSA-N 0 0 234.299 2.236 10 0 BEAERN C=CC(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000037002607 188285835 /nfs/dbraw/zinc/28/58/35/188285835.db2.gz LRTDGUAWMFYBES-UHFFFAOYSA-N 0 0 229.239 2.170 10 0 BEAERN Cc1ccc(C)c(C(=O)CN2CCO[C@@H](C)C2)c1 ZINC000037332665 188287226 /nfs/dbraw/zinc/28/72/26/188287226.db2.gz QNOJULAIURSROX-ZDUSSCGKSA-N 0 0 247.338 2.207 10 0 BEAERN Brc1ncnc2ccsc21 ZINC000037239135 188287398 /nfs/dbraw/zinc/28/73/98/188287398.db2.gz DNTCHXURFZZYED-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN CC(C)(Nc1ccc(Cl)cc1)C(N)=O ZINC000037945179 188289188 /nfs/dbraw/zinc/28/91/88/188289188.db2.gz DWYRAQXHPLPYJD-UHFFFAOYSA-N 0 0 212.680 2.016 10 0 BEAERN COc1ccc(N)cc1CNc1nccs1 ZINC000038033490 188289986 /nfs/dbraw/zinc/28/99/86/188289986.db2.gz ACSWIAHFXXMVJG-UHFFFAOYSA-N 0 0 235.312 2.346 10 0 BEAERN CCC/C=C/C(=O)NC(=O)OC(C)(C)C ZINC000039093723 188291151 /nfs/dbraw/zinc/29/11/51/188291151.db2.gz JFSJTVZNYITHIQ-BQYQJAHWSA-N 0 0 213.277 2.394 10 0 BEAERN CCOc1cnc2cc(F)c(F)cc2n1 ZINC000039099688 188291177 /nfs/dbraw/zinc/29/11/77/188291177.db2.gz DOEWNAYXZWMVNS-UHFFFAOYSA-N 0 0 210.183 2.307 10 0 BEAERN Cc1ccc(CCCC(=O)NCC(C)(C)O)cc1 ZINC000040663935 188293067 /nfs/dbraw/zinc/29/30/67/188293067.db2.gz GDIYEQUDEMQOQG-UHFFFAOYSA-N 0 0 249.354 2.205 10 0 BEAERN CCc1cccc(CC)c1NC[C@H](C)C(N)=O ZINC000041264049 188293190 /nfs/dbraw/zinc/29/31/90/188293190.db2.gz QEXZQDFAMYNIQV-JTQLQIEISA-N 0 0 234.343 2.345 10 0 BEAERN CC(C)N(CC(F)(F)F)c1ccc(CO)cn1 ZINC000042779300 188294820 /nfs/dbraw/zinc/29/48/20/188294820.db2.gz MRWKDEZUANDEGM-UHFFFAOYSA-N 0 0 248.248 2.351 10 0 BEAERN CCOC(=O)[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000043637596 188295356 /nfs/dbraw/zinc/29/53/56/188295356.db2.gz FKRFYZSIKJXFKE-ZCFIWIBFSA-N 0 0 247.216 2.467 10 0 BEAERN CCCn1cnnc1-c1cc(F)ccc1N ZINC000054497938 188300128 /nfs/dbraw/zinc/30/01/28/188300128.db2.gz JUSKOPMQQVFOCT-UHFFFAOYSA-N 0 0 220.251 2.076 10 0 BEAERN CCCn1cnnc1-c1ccc(F)cc1N ZINC000054497986 188300521 /nfs/dbraw/zinc/30/05/21/188300521.db2.gz ODPNGNIPBJKLDR-UHFFFAOYSA-N 0 0 220.251 2.076 10 0 BEAERN CC(C)C[C@H](C)N(C)C(=O)c1csc(N)n1 ZINC000055187395 188300592 /nfs/dbraw/zinc/30/05/92/188300592.db2.gz OTCXJFPRPKDLLP-QMMMGPOBSA-N 0 0 241.360 2.232 10 0 BEAERN OCc1ccccc1N[C@@H]1CCCSC1 ZINC000061587847 188302762 /nfs/dbraw/zinc/30/27/62/188302762.db2.gz HHCVBEWFJZBVML-LLVKDONJSA-N 0 0 223.341 2.486 10 0 BEAERN Brc1nnc(Cc2ccccc2)o1 ZINC000071549235 188306120 /nfs/dbraw/zinc/30/61/20/188306120.db2.gz MSNCWUCCJOJOGX-UHFFFAOYSA-N 0 0 239.072 2.423 10 0 BEAERN C/C=C/C(=O)OCC(F)(F)C(F)(F)F ZINC000072265768 188307049 /nfs/dbraw/zinc/30/70/49/188307049.db2.gz CCXWPKBNZYFHKT-NSCUHMNNSA-N 0 0 218.121 2.303 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)C(F)F)o1 ZINC000235524653 188307079 /nfs/dbraw/zinc/30/70/79/188307079.db2.gz JBWKTLXFOYVPRZ-LURJTMIESA-N 0 0 203.188 2.030 10 0 BEAERN CC(C)(C)Oc1ccnc(Br)n1 ZINC000095775912 188321845 /nfs/dbraw/zinc/32/18/45/188321845.db2.gz NTEFETCROOYMBV-UHFFFAOYSA-N 0 0 231.093 2.416 10 0 BEAERN CCc1nccn1-c1ccc(N)cc1C ZINC000042419565 188323605 /nfs/dbraw/zinc/32/36/05/188323605.db2.gz CJIBOQZVMFACSI-UHFFFAOYSA-N 0 0 201.273 2.325 10 0 BEAERN COc1ccc(C)cc1C[C@@H]1COCCC1=O ZINC000076680803 188310439 /nfs/dbraw/zinc/31/04/39/188310439.db2.gz WNPCBDXBVARTFV-GFCCVEGCSA-N 0 0 234.295 2.152 10 0 BEAERN CC(C)COc1cc(N)nc(C(C)(C)C)n1 ZINC000082492653 188312643 /nfs/dbraw/zinc/31/26/43/188312643.db2.gz YSNYYHCQQVZLLJ-UHFFFAOYSA-N 0 0 223.320 2.391 10 0 BEAERN CC[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000083070429 188315393 /nfs/dbraw/zinc/31/53/93/188315393.db2.gz IIEYBUNPTWMMQX-NXEZZACHSA-N 0 0 229.320 2.014 10 0 BEAERN Cc1cnn2c1N[C@H](C)C[C@H]2C(F)F ZINC000720942966 538115496 /nfs/dbraw/zinc/11/54/96/538115496.db2.gz ZRJFNYWLGMRZPZ-RQJHMYQMSA-N 0 0 201.220 2.202 10 0 BEAERN O=Cc1cccc2[nH]nc(Br)c21 ZINC000089195813 188318163 /nfs/dbraw/zinc/31/81/63/188318163.db2.gz NAQLEDBSEAQAKP-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN CC(=O)NCc1c[nH]c2c1cccc2C ZINC000089204259 188318237 /nfs/dbraw/zinc/31/82/37/188318237.db2.gz UKELAXYBNZFHDH-UHFFFAOYSA-N 0 0 202.257 2.112 10 0 BEAERN CN(C)c1ccc(Br)cc1O ZINC000095711923 188319702 /nfs/dbraw/zinc/31/97/02/188319702.db2.gz OFLVDKIOQQYAQZ-UHFFFAOYSA-N 0 0 216.078 2.221 10 0 BEAERN CN(C)c1ccc(C=O)cc1OC1CC1 ZINC000095721313 188320514 /nfs/dbraw/zinc/32/05/14/188320514.db2.gz IZBDJMRKTKATGD-UHFFFAOYSA-N 0 0 205.257 2.106 10 0 BEAERN Cc1ccc(SCC(=O)C2CC2)nc1 ZINC000109198002 188324792 /nfs/dbraw/zinc/32/47/92/188324792.db2.gz JLVBDLMBHGOIPV-UHFFFAOYSA-N 0 0 207.298 2.461 10 0 BEAERN CCc1ccc(OC(F)(F)F)cc1C(N)=O ZINC000223217688 353360957 /nfs/dbraw/zinc/36/09/57/353360957.db2.gz WZEIWQOWULNFET-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C3)cc1O ZINC000049716955 188327549 /nfs/dbraw/zinc/32/75/49/188327549.db2.gz HHKWQYQJCVLNSZ-CMPLNLGQSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cc(I)cnc1C ZINC000114760896 188327732 /nfs/dbraw/zinc/32/77/32/188327732.db2.gz CTXZQFARZRIHPI-UHFFFAOYSA-N 0 0 233.052 2.303 10 0 BEAERN CC1(C)CCC(=O)c2c(O)ccc(O)c21 ZINC000001619908 188334456 /nfs/dbraw/zinc/33/44/56/188334456.db2.gz BQZRKXOVOCOIIM-UHFFFAOYSA-N 0 0 206.241 2.352 10 0 BEAERN COc1cc(O)c(C)c2c1CO[C@@H](C)C2 ZINC000013462735 188342699 /nfs/dbraw/zinc/34/26/99/188342699.db2.gz WEOOJHUZRJSUAQ-ZETCQYMHSA-N 0 0 208.257 2.170 10 0 BEAERN C[C@H]1COc2cc3oc(=O)ccc3cc21 ZINC000013556053 188342742 /nfs/dbraw/zinc/34/27/42/188342742.db2.gz YYABNLNVASVPDO-ZETCQYMHSA-N 0 0 202.209 2.289 10 0 BEAERN CCCN(C[C@@H]1CCCCO1)C(=O)C(C)C ZINC000106695204 188343387 /nfs/dbraw/zinc/34/33/87/188343387.db2.gz KWYAXKUITPNTQS-LBPRGKRZSA-N 0 0 227.348 2.450 10 0 BEAERN CC(=O)Nc1ccc(C)c(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000186525960 188347845 /nfs/dbraw/zinc/34/78/45/188347845.db2.gz URBCQWCBKQIZNI-ZANVPECISA-N 0 0 246.310 2.092 10 0 BEAERN CCSCCCn1nc(C)c(N)c1C ZINC000122962186 538116044 /nfs/dbraw/zinc/11/60/44/538116044.db2.gz OFFAGHTXYHFWGL-UHFFFAOYSA-N 0 0 213.350 2.225 10 0 BEAERN NC(=S)c1ccc(OCc2ccccc2)cn1 ZINC000129556292 353386337 /nfs/dbraw/zinc/38/63/37/353386337.db2.gz IMNIZQABVKPDQC-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN CC(C)COc1nc2sccn2c1C=O ZINC000022160810 188355415 /nfs/dbraw/zinc/35/54/15/188355415.db2.gz LFMJDICBOHCKOB-UHFFFAOYSA-N 0 0 224.285 2.243 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@H]1CCC[C@@H](C)CC1 ZINC000252231635 363224562 /nfs/dbraw/zinc/22/45/62/363224562.db2.gz ZYNBQPYYELAAAI-MXWKQRLJSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H](O)CCNc1ccc(F)cc1F ZINC000133543453 353414344 /nfs/dbraw/zinc/41/43/44/353414344.db2.gz OGGNWMCXSNBWOI-ZETCQYMHSA-N 0 0 201.216 2.148 10 0 BEAERN COCc1cnc(NCc2nccs2)s1 ZINC000309076234 491052233 /nfs/dbraw/zinc/05/22/33/491052233.db2.gz KQTUORXCUXIAQV-UHFFFAOYSA-N 0 0 241.341 2.358 10 0 BEAERN Fc1ccc(CNc2ccncn2)cc1F ZINC000049577892 180970497 /nfs/dbraw/zinc/97/04/97/180970497.db2.gz YIZZXCKNKFPQOG-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN CC(C)Cn1ccnc(N[C@H]2CCC[C@H]2C)c1=O ZINC000071208140 188402202 /nfs/dbraw/zinc/40/22/02/188402202.db2.gz PPMNDLNLIDBQMP-NEPJUHHUSA-N 0 0 249.358 2.500 10 0 BEAERN CCC1(C(=O)N2C[C@@H]3CCC[C@H]32)CCOCC1 ZINC000334225051 535234207 /nfs/dbraw/zinc/23/42/07/535234207.db2.gz APZSSMSCVDJEFI-NWDGAFQWSA-N 0 0 237.343 2.204 10 0 BEAERN CC(C)(c1nc(-c2ncon2)no1)C1CCC1 ZINC000333891251 188410442 /nfs/dbraw/zinc/41/04/42/188410442.db2.gz YTQCNNDZNHSZAT-UHFFFAOYSA-N 0 0 234.259 2.197 10 0 BEAERN Fc1ccc([C@@H]2COCCN2)cc1Cl ZINC000083263976 180981869 /nfs/dbraw/zinc/98/18/69/180981869.db2.gz JEJOETABMLDMJD-JTQLQIEISA-N 0 0 215.655 2.140 10 0 BEAERN CCOC(=O)c1cccnc1N[C@@H]1C[C@@H]1CC ZINC000231037280 353554447 /nfs/dbraw/zinc/55/44/47/353554447.db2.gz HKMVWABUUCPENL-GXSJLCMTSA-N 0 0 234.299 2.469 10 0 BEAERN Nc1cc2c(Br)[nH]nc2c(F)c1 ZINC000096320984 353659931 /nfs/dbraw/zinc/65/99/31/353659931.db2.gz YEQCPVMSOSTYTJ-UHFFFAOYSA-N 0 0 230.040 2.047 10 0 BEAERN Fc1cccc(Br)c1NC1COC1 ZINC000232120470 353691018 /nfs/dbraw/zinc/69/10/18/353691018.db2.gz OUGZDRDDDARNLN-UHFFFAOYSA-N 0 0 246.079 2.399 10 0 BEAERN CCc1nnc(N[C@@H]2CCSC2)s1 ZINC000232283362 353706065 /nfs/dbraw/zinc/70/60/65/353706065.db2.gz MCPOSMXADZWOMC-ZCFIWIBFSA-N 0 0 215.347 2.018 10 0 BEAERN Cc1cc(C=O)c(C)n1-c1nnc(C)s1 ZINC000232289502 353706173 /nfs/dbraw/zinc/70/61/73/353706173.db2.gz WMPHIGICAPOAHB-UHFFFAOYSA-N 0 0 221.285 2.067 10 0 BEAERN Cc1ccc(C(N)=S)cc1OC(F)F ZINC000232313607 353708412 /nfs/dbraw/zinc/70/84/12/353708412.db2.gz BVESBAXXDXSJSN-UHFFFAOYSA-N 0 0 217.240 2.231 10 0 BEAERN Fc1cccc(F)c1CNc1cncnc1 ZINC000083350936 181000288 /nfs/dbraw/zinc/00/02/88/181000288.db2.gz VIDPXUVURPLHSI-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Fc1cccc(F)c1NCc1cnccn1 ZINC000054765744 181001037 /nfs/dbraw/zinc/00/10/37/181001037.db2.gz VQBWNURUNCUFPN-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Fc1cccc(NCc2cnccn2)c1 ZINC000054765497 181001651 /nfs/dbraw/zinc/00/16/51/181001651.db2.gz BODOKTSPXNCMFU-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1ccccc1NCc1ccncn1 ZINC000054788658 181014431 /nfs/dbraw/zinc/01/44/31/181014431.db2.gz KANUZQCJOBROGI-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN C[C@H]1CN(c2cnc3ccc(O)cc3c2)CCO1 ZINC000218903940 353741308 /nfs/dbraw/zinc/74/13/08/353741308.db2.gz OJLJJOKFSLBTOK-JTQLQIEISA-N 0 0 244.294 2.166 10 0 BEAERN COc1cc(Br)c(C)cc1O ZINC000032251525 353803051 /nfs/dbraw/zinc/80/30/51/353803051.db2.gz JDGOYQOXCIBZRX-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CNc1nc2ccc(OC)cc2cc1C=O ZINC000218919435 353804275 /nfs/dbraw/zinc/80/42/75/353804275.db2.gz SRNIYPOTDOMYCB-UHFFFAOYSA-N 0 0 216.240 2.098 10 0 BEAERN COC(=O)c1c(N)cc(C)c(Cl)c1C ZINC000300994044 363269686 /nfs/dbraw/zinc/26/96/86/363269686.db2.gz WPLIZJKTJJGZJO-UHFFFAOYSA-N 0 0 213.664 2.326 10 0 BEAERN CC1(NC(=O)c2cc(Cl)nnc2Cl)CC1 ZINC000232871610 353964454 /nfs/dbraw/zinc/96/44/54/353964454.db2.gz STMPOGIXKYZQAE-UHFFFAOYSA-N 0 0 246.097 2.066 10 0 BEAERN Cc1cc(NC/C(Cl)=C\Cl)nn1C ZINC000308115310 354015957 /nfs/dbraw/zinc/01/59/57/354015957.db2.gz WXQPYSSPKJYGKO-QPJJXVBHSA-N 0 0 220.103 2.459 10 0 BEAERN CC(C)CC(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334568114 354091071 /nfs/dbraw/zinc/09/10/71/354091071.db2.gz XBCSNGCPOVPEHL-NWDGAFQWSA-N 0 0 237.343 2.060 10 0 BEAERN CC(C)CC(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334568115 354091324 /nfs/dbraw/zinc/09/13/24/354091324.db2.gz XBCSNGCPOVPEHL-RYUDHWBXSA-N 0 0 237.343 2.060 10 0 BEAERN C[C@H](C(=O)N1CCS[C@@H](C)C1)C1CCC1 ZINC000334572212 354100887 /nfs/dbraw/zinc/10/08/87/354100887.db2.gz KGZIKEZKZMDIMK-UWVGGRQHSA-N 0 0 227.373 2.387 10 0 BEAERN CCCCN1Cc2cc(N)cc(C)c2C1=O ZINC000230453394 363312695 /nfs/dbraw/zinc/31/26/95/363312695.db2.gz OMZYJEQYIBJCDP-UHFFFAOYSA-N 0 0 218.300 2.333 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)NC1CCCC1 ZINC000231677444 363347973 /nfs/dbraw/zinc/34/79/73/363347973.db2.gz JYVIKXQGMFGPKA-ONGXEEELSA-N 0 0 210.321 2.417 10 0 BEAERN Fc1ccc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)nc1 ZINC000334645473 354434927 /nfs/dbraw/zinc/43/49/27/354434927.db2.gz QEKBPWYEWPKTJL-NEPJUHHUSA-N 0 0 248.301 2.226 10 0 BEAERN CCC[C@@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521401758 259455480 /nfs/dbraw/zinc/45/54/80/259455480.db2.gz NXEGKEJMJYQCQK-NKWVEPMBSA-N 0 0 227.226 2.157 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C12CCC(CC1)C2 ZINC000345035516 354445687 /nfs/dbraw/zinc/44/56/87/354445687.db2.gz UZNVHZYYRYFSGK-IQLKVPPVSA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)c1nnc(CN(C)CCC2CC2)n1C ZINC000179249164 366222318 /nfs/dbraw/zinc/22/23/18/366222318.db2.gz GTNLTHCBACGPJP-UHFFFAOYSA-N 0 0 236.363 2.170 10 0 BEAERN c1ccc(N2CC3(CCC3)[C@H]3COC[C@H]32)nc1 ZINC000334727552 354527855 /nfs/dbraw/zinc/52/78/55/354527855.db2.gz LINITZYMFMQAPF-NWDGAFQWSA-N 0 0 230.311 2.087 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)C1=CCC(C)(C)CC1 ZINC000334729486 354529640 /nfs/dbraw/zinc/52/96/40/354529640.db2.gz IGIGRVARZCJOTB-JQWIXIFHSA-N 0 0 237.343 2.417 10 0 BEAERN Cc1cccc(N2CC3(CCC3)[C@H]3COC[C@@H]32)n1 ZINC000334730287 354530143 /nfs/dbraw/zinc/53/01/43/354530143.db2.gz IEZKZZDJNDPPCN-STQMWFEESA-N 0 0 244.338 2.395 10 0 BEAERN O=C(N[C@H]1CC12CCCC2)N1CC[C@@H](F)C1 ZINC000334703260 354496376 /nfs/dbraw/zinc/49/63/76/354496376.db2.gz QGCUNRXQXJPDBZ-ZJUUUORDSA-N 0 0 226.295 2.073 10 0 BEAERN CC(C)(C)C(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334740935 354544380 /nfs/dbraw/zinc/54/43/80/354544380.db2.gz INFLUIZPFIZKMB-WDEREUQCSA-N 0 0 237.343 2.060 10 0 BEAERN Cc1ccnc(N2C[C@@H](C)C[C@H](O)C2)c1Cl ZINC000334812645 354569919 /nfs/dbraw/zinc/56/99/19/354569919.db2.gz KIVHHPIAAKSBAE-WPRPVWTQSA-N 0 0 240.734 2.251 10 0 BEAERN C/C=C\CSc1nnc(NC)s1 ZINC000308174374 354604074 /nfs/dbraw/zinc/60/40/74/354604074.db2.gz YMILVPVEWVRJMT-ARJAWSKDSA-N 0 0 201.320 2.248 10 0 BEAERN CCC(C)(CC)NC(=O)Nc1cc(C)nn1C ZINC000113362250 354666216 /nfs/dbraw/zinc/66/62/16/354666216.db2.gz YGJUTMXULUUEGP-UHFFFAOYSA-N 0 0 238.335 2.429 10 0 BEAERN Cc1cnc([C@@H](C)Nc2nnc(C)s2)o1 ZINC000235229340 363439771 /nfs/dbraw/zinc/43/97/71/363439771.db2.gz YADQVHTZHUFDQC-ZCFIWIBFSA-N 0 0 224.289 2.316 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@@H]2CCC[C@H]21 ZINC000335221581 355061898 /nfs/dbraw/zinc/06/18/98/355061898.db2.gz RADBMDJFGUMYOB-QWHCGFSZSA-N 0 0 230.311 2.381 10 0 BEAERN CC(C)c1nccnc1NCC1(C)CCOCC1 ZINC000413191089 191362198 /nfs/dbraw/zinc/36/21/98/191362198.db2.gz XVWBFRKEYUNHHL-UHFFFAOYSA-N 0 0 249.358 2.251 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CCC(C)(C)O1 ZINC000413243361 191365743 /nfs/dbraw/zinc/36/57/43/191365743.db2.gz DHGQZCIVFITOLB-LLVKDONJSA-N 0 0 249.358 2.391 10 0 BEAERN CC(C)c1nccnc1N(C)CCCCCO ZINC000413263668 191366644 /nfs/dbraw/zinc/36/66/44/191366644.db2.gz JCBHVTZUNJZVPD-UHFFFAOYSA-N 0 0 237.347 2.199 10 0 BEAERN Cc1cccc(-c2csc(=NN)[nH]2)c1 ZINC000004294026 355402187 /nfs/dbraw/zinc/40/21/87/355402187.db2.gz JJPSMCMBZIPPBF-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN O=C(c1cc(F)ccc1O)N1C[C@@H]2CCC[C@H]21 ZINC000335777554 355402944 /nfs/dbraw/zinc/40/29/44/355402944.db2.gz JBQQHDIZTBFJDM-GZMMTYOYSA-N 0 0 235.258 2.156 10 0 BEAERN COc1cccnc1[C@H]1CCCC(=O)C1 ZINC000229827496 355414046 /nfs/dbraw/zinc/41/40/46/355414046.db2.gz HYMNQMRITIRWCT-VIFPVBQESA-N 0 0 205.257 2.317 10 0 BEAERN CC(F)(F)C(C)(C)NC1=NCCS1 ZINC000405939002 355397210 /nfs/dbraw/zinc/39/72/10/355397210.db2.gz FFSNCINVSUOIRM-UHFFFAOYSA-N 0 0 208.277 2.113 10 0 BEAERN Cc1cnc(NC(=O)N2C[C@H]3CCC[C@H]32)s1 ZINC000335998303 134043015 /nfs/dbraw/zinc/04/30/15/134043015.db2.gz WUXFVXZJEUPJIQ-RKDXNWHRSA-N 0 0 237.328 2.468 10 0 BEAERN CN(C(=O)NCC1(C)CCC1)[C@@H]1CCSC1 ZINC000125904724 324663058 /nfs/dbraw/zinc/66/30/58/324663058.db2.gz JKHYMJVERMMBQX-SNVBAGLBSA-N 0 0 242.388 2.324 10 0 BEAERN CC(C)(C)[C@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000390353644 355512206 /nfs/dbraw/zinc/51/22/06/355512206.db2.gz PXCWAHSCJHSIJD-MRVPVSSYSA-N 0 0 244.316 2.475 10 0 BEAERN CC[C@H]1CCN(c2nsnc2Cl)C1 ZINC000166490853 355569621 /nfs/dbraw/zinc/56/96/21/355569621.db2.gz VJBDBVSUCOXZMX-LURJTMIESA-N 0 0 217.725 2.428 10 0 BEAERN N=Cc1ncc(Br)c2cc[nH]c21 ZINC000089212973 181208001 /nfs/dbraw/zinc/20/80/01/181208001.db2.gz BZTRWGZEKVXBBI-UHFFFAOYSA-N 0 0 224.061 2.323 10 0 BEAERN N=C1SCCN1c1ccc(Cl)cc1N ZINC000003775160 181208136 /nfs/dbraw/zinc/20/81/36/181208136.db2.gz YYPCUGJKDYEIHT-UHFFFAOYSA-N 0 0 227.720 2.410 10 0 in-man BEAERN CCCc1csc([C@@H]2CSCCN2)n1 ZINC000160260815 355763376 /nfs/dbraw/zinc/76/33/76/355763376.db2.gz YGIFTBUFIOBLSU-VIFPVBQESA-N 0 0 228.386 2.473 10 0 BEAERN CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(C)c1 ZINC000336785387 355847012 /nfs/dbraw/zinc/84/70/12/355847012.db2.gz DCWKMGXEDKEPMM-ZIAGYGMSSA-N 0 0 246.354 2.314 10 0 BEAERN CCOC(=O)CCCOc1ccc(N)cc1F ZINC000223431612 355877352 /nfs/dbraw/zinc/87/73/52/355877352.db2.gz OJYWXGAFZYJRQZ-UHFFFAOYSA-N 0 0 241.262 2.130 10 0 BEAERN NC(=O)C1(Nc2ccccc2F)CCCC1 ZINC000037945416 181215385 /nfs/dbraw/zinc/21/53/85/181215385.db2.gz NJLWCVDKMCAHMD-UHFFFAOYSA-N 0 0 222.263 2.036 10 0 BEAERN NC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000001730349 181215578 /nfs/dbraw/zinc/21/55/78/181215578.db2.gz HHFWAGNHRCLHGY-UHFFFAOYSA-N 0 0 244.077 2.255 10 0 BEAERN COC[C@H](O)c1ccc(C)cc1Br ZINC000129688224 355870367 /nfs/dbraw/zinc/87/03/67/355870367.db2.gz MERVSKDENNXDAU-JTQLQIEISA-N 0 0 245.116 2.437 10 0 BEAERN COC[C@@H](O)c1ccc(C)cc1Br ZINC000129688014 355870699 /nfs/dbraw/zinc/87/06/99/355870699.db2.gz MERVSKDENNXDAU-SNVBAGLBSA-N 0 0 245.116 2.437 10 0 BEAERN Nc1n[nH]c(Nc2ccc3ccccc3c2)n1 ZINC000211008562 355980956 /nfs/dbraw/zinc/98/09/56/355980956.db2.gz WGMFRJYNDCEQJI-UHFFFAOYSA-N 0 0 225.255 2.284 10 0 BEAERN NC(=O)CCNc1cc(Cl)ccc1Cl ZINC000034958957 181225572 /nfs/dbraw/zinc/22/55/72/181225572.db2.gz AKRSTSSONWYBOA-UHFFFAOYSA-N 0 0 233.098 2.281 10 0 BEAERN NC(=O)CCNc1ccc(Cl)c(Cl)c1 ZINC000036924310 181226271 /nfs/dbraw/zinc/22/62/71/181226271.db2.gz UYNSIWRVYZLMSY-UHFFFAOYSA-N 0 0 233.098 2.281 10 0 BEAERN CC(C)OC(=O)NC[C@]1(C)CCCS1 ZINC000127586588 324776356 /nfs/dbraw/zinc/77/63/56/324776356.db2.gz JKLSGVJPWSGLHJ-JTQLQIEISA-N 0 0 217.334 2.407 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000122011458 192015856 /nfs/dbraw/zinc/01/58/56/192015856.db2.gz PWBQYFWCGCVRKD-QWRGUYRKSA-N 0 0 241.306 2.324 10 0 BEAERN CC(=O)CN1CCCC[C@H]1c1nccs1 ZINC000639468677 356254517 /nfs/dbraw/zinc/25/45/17/356254517.db2.gz WWHUXTOTWWJMLW-JTQLQIEISA-N 0 0 224.329 2.259 10 0 BEAERN NC(=O)Nc1ccc(N[C@H]2CCSC2)cc1 ZINC000037136364 181262794 /nfs/dbraw/zinc/26/27/94/181262794.db2.gz CURDJCUHNALDGM-JTQLQIEISA-N 0 0 237.328 2.095 10 0 BEAERN NC(=O)[C@@H]1CCc2c3cc(Cl)ccc3[nH]c21 ZINC000013677649 181272812 /nfs/dbraw/zinc/27/28/12/181272812.db2.gz DEAPWAXHFACEKU-MRVPVSSYSA-N 0 0 234.686 2.336 10 0 BEAERN CC[N@@H+]1CCC[C@H](Nc2ccc(F)cn2)C1 ZINC000041045451 358504789 /nfs/dbraw/zinc/50/47/89/358504789.db2.gz LLSKDLFXCKWESJ-NSHDSACASA-N 0 0 223.295 2.117 10 0 BEAERN O=C(c1cccnc1)C1CCSCC1 ZINC000143716979 356472807 /nfs/dbraw/zinc/47/28/07/356472807.db2.gz DILSJCRLECUZSM-UHFFFAOYSA-N 0 0 207.298 2.408 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000613537507 363477466 /nfs/dbraw/zinc/47/74/66/363477466.db2.gz FEYSVVUVOJIWGY-MNOVXSKESA-N 0 0 243.310 2.345 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000613537566 363477609 /nfs/dbraw/zinc/47/76/09/363477609.db2.gz GQXADGLYZPDWNP-BDAKNGLRSA-N 0 0 249.339 2.407 10 0 BEAERN O[C@@H]1CCC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000613538832 363480079 /nfs/dbraw/zinc/48/00/79/363480079.db2.gz ZIOSDPSVLLYSLJ-VHSXEESVSA-N 0 0 248.351 2.434 10 0 BEAERN COC(=O)c1ccc(OC(F)F)cc1F ZINC000238396146 363487301 /nfs/dbraw/zinc/48/73/01/363487301.db2.gz KGBUNBMYRJXOGX-UHFFFAOYSA-N 0 0 220.146 2.214 10 0 BEAERN CCC(F)(F)CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000639678239 356594157 /nfs/dbraw/zinc/59/41/57/356594157.db2.gz XGKSABLJXJHANQ-DCAQKATOSA-N 0 0 233.302 2.125 10 0 BEAERN CCC(O)(CC)Cn1cc(Cl)cn1 ZINC000162900831 202093340 /nfs/dbraw/zinc/09/33/40/202093340.db2.gz VLLPPWBRNNJKPK-UHFFFAOYSA-N 0 0 202.685 2.088 10 0 BEAERN C[C@@H](N)C(=O)c1sccc1Br ZINC000083333456 538469218 /nfs/dbraw/zinc/46/92/18/538469218.db2.gz ILGTXZOJACSVAP-SCSAIBSYSA-N 0 0 234.118 2.041 10 0 BEAERN C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)C(C)(C)C ZINC000246640302 538465930 /nfs/dbraw/zinc/46/59/30/538465930.db2.gz WZZKVPSLLQSSPV-AXFHLTTASA-N 0 0 242.363 2.288 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1NCCOc2ccccc21 ZINC000675057653 538480219 /nfs/dbraw/zinc/48/02/19/538480219.db2.gz HFOAJLBIWYGNGN-LBPRGKRZSA-N 0 0 249.310 2.051 10 0 BEAERN Cc1ccccc1[C@@H]1CC[C@H](CO)OC1 ZINC000675058429 538481369 /nfs/dbraw/zinc/48/13/69/538481369.db2.gz FSBKMGPWYDSAKL-VXGBXAGGSA-N 0 0 206.285 2.250 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H](C2CCC(F)(F)CC2)C1 ZINC000675059278 538483178 /nfs/dbraw/zinc/48/31/78/538483178.db2.gz FTFMWRDHHFCTLQ-UWVGGRQHSA-N 0 0 247.285 2.122 10 0 BEAERN CCCc1coc(C[NH2+]CC)c1C(=O)[O-] ZINC000675051442 538474603 /nfs/dbraw/zinc/47/46/03/538474603.db2.gz LBCWHRZWADCITI-UHFFFAOYSA-N 0 0 211.261 2.040 10 0 BEAERN CCCc1noc(Cl)c1C(=O)OC ZINC000675068281 538496263 /nfs/dbraw/zinc/49/62/63/538496263.db2.gz VWGYIGZQOMQPPA-UHFFFAOYSA-N 0 0 203.625 2.067 10 0 BEAERN C[C@@H]1C[C@H](C)Cc2c[nH+]c(N)c(C(=O)[O-])c21 ZINC000675063808 538490613 /nfs/dbraw/zinc/49/06/13/538490613.db2.gz PDYDWIZPMAYVET-NKWVEPMBSA-N 0 0 220.272 2.048 10 0 BEAERN CCCCO[C@H](C)C(=O)N[C@H](C)C(C)C ZINC000123897698 358509511 /nfs/dbraw/zinc/50/95/11/358509511.db2.gz HDVIYUVGJBQCJE-GHMZBOCLSA-N 0 0 215.337 2.352 10 0 BEAERN CCC[C@H]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000083438253 538499590 /nfs/dbraw/zinc/49/95/90/538499590.db2.gz PUFBSPZUCPKIRH-VHSXEESVSA-N 0 0 219.350 2.024 10 0 BEAERN Cc1ccc(-c2c(N)cnn2C)cc1F ZINC000675071161 538501672 /nfs/dbraw/zinc/50/16/72/538501672.db2.gz WMJANFWGEJGANM-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN O=Cc1ccc(-c2nnc(C(F)F)o2)o1 ZINC000675082576 538522904 /nfs/dbraw/zinc/52/29/04/538522904.db2.gz MZRDJMYTLIHUHF-UHFFFAOYSA-N 0 0 214.127 2.080 10 0 BEAERN Cc1ccc2c(n1)C[C@@H](C(=O)C(C)(C)C)O2 ZINC000675081311 538521067 /nfs/dbraw/zinc/52/10/67/538521067.db2.gz QDGDMHKHDBGKIM-NSHDSACASA-N 0 0 219.284 2.309 10 0 BEAERN COc1cccc2c1O[C@H](C(=O)C(C)C)C2 ZINC000675081178 538522343 /nfs/dbraw/zinc/52/23/43/538522343.db2.gz KTDSYZFGICFNBS-NSHDSACASA-N 0 0 220.268 2.224 10 0 BEAERN COc1cccc([C@]23C[C@H](CC2)[C@@H]3O)c1 ZINC000675081231 538522649 /nfs/dbraw/zinc/52/26/49/538522649.db2.gz NEWFISFSAGUBEW-TVYUQYBPSA-N 0 0 204.269 2.108 10 0 BEAERN CC[C@@H]1CCC[C@@]2(CC1)O[C@H]2C(=O)OC ZINC000084324193 538530659 /nfs/dbraw/zinc/53/06/59/538530659.db2.gz WSGKCCMKDCUCOV-SCVCMEIPSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@H]1CCCC[C@]12O[C@]2(C)C(=O)OC ZINC000085658087 538544991 /nfs/dbraw/zinc/54/49/91/538544991.db2.gz ZSCWFKBMKAYWGJ-JLLWLGSASA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]12CCCC(C)(C)C2 ZINC000085657824 538545260 /nfs/dbraw/zinc/54/52/60/538545260.db2.gz OJWMMIVGYDUMJH-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@@H](SC1COC1)C(=O)c1ccccc1 ZINC000086195530 538551240 /nfs/dbraw/zinc/55/12/40/538551240.db2.gz XFATXPQZDWTUHA-SECBINFHSA-N 0 0 222.309 2.390 10 0 BEAERN Cc1ccccc1C(=O)CSC1COC1 ZINC000086195488 538552452 /nfs/dbraw/zinc/55/24/52/538552452.db2.gz DSYREZBVQCWIIA-UHFFFAOYSA-N 0 0 222.309 2.310 10 0 BEAERN CC(C)c1nnc(-c2ccc(F)nc2)o1 ZINC000675082302 538523491 /nfs/dbraw/zinc/52/34/91/538523491.db2.gz HZAPRGRQERDCNG-UHFFFAOYSA-N 0 0 207.208 2.394 10 0 BEAERN CC(=O)c1sccc1-c1ccnn1C ZINC000675082673 538523852 /nfs/dbraw/zinc/52/38/52/538523852.db2.gz VIDOEFPOUNNVCK-UHFFFAOYSA-N 0 0 206.270 2.351 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCCC[C@H]2C(C)C ZINC000125956292 538527274 /nfs/dbraw/zinc/52/72/74/538527274.db2.gz KMZIADNMBYHSJL-JBLDHEPKSA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@H](C)[C@H](C)C2 ZINC000084324594 538530088 /nfs/dbraw/zinc/53/00/88/538530088.db2.gz GJTHEBXZSZBFKM-WYFGTUCQSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nc([C@H](C)S(=O)(=O)Cl)c(C)s1 ZINC000088251282 538571424 /nfs/dbraw/zinc/57/14/24/538571424.db2.gz XNUTVZIMPODNMO-YFKPBYRVSA-N 0 0 239.749 2.390 10 0 BEAERN CCC(CC)Cn1cc(N)c(C)cc1=O ZINC000129112529 538572729 /nfs/dbraw/zinc/57/27/29/538572729.db2.gz ORTVRYHUMSBWQH-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)COC2 ZINC000092166525 538596050 /nfs/dbraw/zinc/59/60/50/538596050.db2.gz JQCWCCHMDXOXIE-PELKAZGASA-N 0 0 232.283 2.247 10 0 BEAERN CCCn1cc(C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000130557144 325066662 /nfs/dbraw/zinc/06/66/62/325066662.db2.gz PITXSNDBBFAKKC-LBPRGKRZSA-N 0 0 239.388 2.230 10 0 BEAERN C(CSC1CCOCC1)OC[C@@H]1CCCO1 ZINC000130718622 325082406 /nfs/dbraw/zinc/08/24/06/325082406.db2.gz JYTUQEFGYJWGQH-NSHDSACASA-N 0 0 246.372 2.094 10 0 BEAERN CC(C)CNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117565164 356981054 /nfs/dbraw/zinc/98/10/54/356981054.db2.gz SAFZOWAYROPYQZ-MFKMUULPSA-N 0 0 233.311 2.323 10 0 BEAERN Cc1ccc(O[C@H](C)C(N)=S)cc1F ZINC000226419271 356984204 /nfs/dbraw/zinc/98/42/04/356984204.db2.gz XBICVVNTSXFSGH-SSDOTTSWSA-N 0 0 213.277 2.188 10 0 BEAERN Cc1nc(Br)cc(OC2CCC2)n1 ZINC000160463643 356985725 /nfs/dbraw/zinc/98/57/25/356985725.db2.gz OVLQVLDPQJTSOA-UHFFFAOYSA-N 0 0 243.104 2.479 10 0 BEAERN NC(=O)c1cc(N)ccc1NCc1cccs1 ZINC000041082786 181289828 /nfs/dbraw/zinc/28/98/28/181289828.db2.gz WAFYFRVSMAXCQG-UHFFFAOYSA-N 0 0 247.323 2.041 10 0 BEAERN CCCNc1cc(Br)ncn1 ZINC000160516555 357029772 /nfs/dbraw/zinc/02/97/72/357029772.db2.gz GTZSUUYRFNPEFU-UHFFFAOYSA-N 0 0 216.082 2.061 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)Cc1cc(C)n[nH]1 ZINC000120089738 357032416 /nfs/dbraw/zinc/03/24/16/357032416.db2.gz RQYQPNCOPRKKOC-CYBMUJFWSA-N 0 0 249.358 2.442 10 0 BEAERN CCc1nc(Br)cc(NC2CC2)n1 ZINC000160522314 357034492 /nfs/dbraw/zinc/03/44/92/357034492.db2.gz WHJZWQHMYVXJCA-UHFFFAOYSA-N 0 0 242.120 2.376 10 0 BEAERN O=Cc1cc(N2CCSCC2)cs1 ZINC000160523152 357035466 /nfs/dbraw/zinc/03/54/66/357035466.db2.gz KCGMIGOGWWFLOH-UHFFFAOYSA-N 0 0 213.327 2.114 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1(C)CCCCC1 ZINC000156167840 538770134 /nfs/dbraw/zinc/77/01/34/538770134.db2.gz YUJFZCOCQJZILY-NSHDSACASA-N 0 0 241.375 2.480 10 0 BEAERN Cn1cc(Sc2ccc(C=O)s2)cn1 ZINC000160640107 357151899 /nfs/dbraw/zinc/15/18/99/357151899.db2.gz FCSPJGLWIIJQMW-UHFFFAOYSA-N 0 0 224.310 2.445 10 0 BEAERN NC(=O)c1cc(N)ccc1OC1CCCCC1 ZINC000041079834 181290172 /nfs/dbraw/zinc/29/01/72/181290172.db2.gz XSFAFDRPZCNQDW-UHFFFAOYSA-N 0 0 234.299 2.079 10 0 BEAERN FC1(F)C[C@@H]1COc1cnc(Cl)nc1 ZINC000168741141 357202466 /nfs/dbraw/zinc/20/24/66/357202466.db2.gz KASDQXUMVKHQSV-RXMQYKEDSA-N 0 0 220.606 2.164 10 0 BEAERN O[C@@H](Cc1ccsc1)c1cccnc1 ZINC000053783013 357180008 /nfs/dbraw/zinc/18/00/08/357180008.db2.gz SNTYWVFQOLHPCB-NSHDSACASA-N 0 0 205.282 2.419 10 0 BEAERN O[C@H](Cc1cccs1)c1ccncc1 ZINC000053783077 357180053 /nfs/dbraw/zinc/18/00/53/357180053.db2.gz RNOGUXQKFCBSEP-LLVKDONJSA-N 0 0 205.282 2.419 10 0 BEAERN O[C@@H](Cc1ccsc1)c1ccccn1 ZINC000053782929 357180067 /nfs/dbraw/zinc/18/00/67/357180067.db2.gz KRBCOMAYMCSWRZ-NSHDSACASA-N 0 0 205.282 2.419 10 0 BEAERN COCCC1(C(=O)N[C@@H](C)C(C)C)CCC1 ZINC000157489410 538827875 /nfs/dbraw/zinc/82/78/75/538827875.db2.gz JFLLASZCBULINX-NSHDSACASA-N 0 0 227.348 2.354 10 0 BEAERN C[C@@H]1Oc2cc(Br)c(F)cc2[C@H]1O ZINC000137741248 357389701 /nfs/dbraw/zinc/38/97/01/357389701.db2.gz JCDLGGFARTYXRS-IGJIYHIXSA-N 0 0 247.063 2.403 10 0 BEAERN COC(=O)c1cc(F)cc2c1OCC=CC2 ZINC000039941633 491110677 /nfs/dbraw/zinc/11/06/77/491110677.db2.gz YSFSHDWLBFJEPU-UHFFFAOYSA-N 0 0 222.215 2.103 10 0 BEAERN OCC[C@@H]1COc2ccc(Br)cc21 ZINC000137748631 357499518 /nfs/dbraw/zinc/49/95/18/357499518.db2.gz FRRGZPOGJAPSFM-SSDOTTSWSA-N 0 0 243.100 2.308 10 0 BEAERN CCn1ccnc1CSc1nc(C)co1 ZINC000188365892 357529032 /nfs/dbraw/zinc/52/90/32/357529032.db2.gz TVSIRAAFZYQMRF-UHFFFAOYSA-N 0 0 223.301 2.492 10 0 BEAERN COC(=O)[C@@H](N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000230630171 357542064 /nfs/dbraw/zinc/54/20/64/357542064.db2.gz VIWIETQPBQCMDK-SKDRFNHKSA-N 0 0 237.299 2.190 10 0 BEAERN COC(=O)[C@H](N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000230630164 357542577 /nfs/dbraw/zinc/54/25/77/357542577.db2.gz VIWIETQPBQCMDK-JOYOIKCWSA-N 0 0 237.299 2.190 10 0 BEAERN CC[C@H](C)OCC(=O)N[C@H](C)C(C)(C)C ZINC000131829577 325186443 /nfs/dbraw/zinc/18/64/43/325186443.db2.gz IQTMBDFCAOBQLK-VHSXEESVSA-N 0 0 215.337 2.352 10 0 BEAERN C/C=C(\CC)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000189225768 357610059 /nfs/dbraw/zinc/61/00/59/357610059.db2.gz IYTCXVYJRXZNPP-VTCSNEPHSA-N 0 0 223.316 2.026 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@H]1CCCO[C@@H]1C ZINC000189529717 357642731 /nfs/dbraw/zinc/64/27/31/357642731.db2.gz NZKWVTBDSTUXCF-ZJUUUORDSA-N 0 0 249.301 2.304 10 0 BEAERN O=C1C[C@@H](c2cc(Br)cs2)CN1 ZINC000685939407 538886146 /nfs/dbraw/zinc/88/61/46/538886146.db2.gz USWZSKJTLCGTRW-RXMQYKEDSA-N 0 0 246.129 2.114 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1Cc1ccccc1 ZINC000685945563 538886965 /nfs/dbraw/zinc/88/69/65/538886965.db2.gz NWCKJHGNYVNTEH-IHRRRGAJSA-N 0 0 245.322 2.213 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)C[C@H]1C(F)(F)F ZINC000685945677 538887118 /nfs/dbraw/zinc/88/71/18/538887118.db2.gz ASWATKRNDNOHEP-HTQZYQBOSA-N 0 0 238.205 2.097 10 0 BEAERN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccccc1 ZINC000685945565 538887313 /nfs/dbraw/zinc/88/73/13/538887313.db2.gz YYGAAWJSHBOCKE-DZGCQCFKSA-N 0 0 245.322 2.214 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)CCC1CC1 ZINC000189645794 357652021 /nfs/dbraw/zinc/65/20/21/357652021.db2.gz ULRJLDNCAZGTJM-PWSUYJOCSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000189713486 357654801 /nfs/dbraw/zinc/65/48/01/357654801.db2.gz KLPJSKBGFCWBET-JQWIXIFHSA-N 0 0 237.343 2.108 10 0 BEAERN CC(C)(C)C(=O)NCC[C@H]1CCCC[C@@H]1O ZINC000685948190 538890568 /nfs/dbraw/zinc/89/05/68/538890568.db2.gz ZVUPGVVVQXLYAM-MNOVXSKESA-N 0 0 227.348 2.090 10 0 BEAERN CC1(C)CCC[C@H]([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])C1 ZINC000685949695 538892972 /nfs/dbraw/zinc/89/29/72/538892972.db2.gz AVANJWWITKURQU-GARJFASQSA-N 0 0 225.332 2.123 10 0 BEAERN CCC(=O)NC(C)(C)c1ccc(N)cc1 ZINC000685949620 538892992 /nfs/dbraw/zinc/89/29/92/538892992.db2.gz VLFOKRXVTQEMEX-UHFFFAOYSA-N 0 0 206.289 2.030 10 0 BEAERN CC[C@H](C)C1N=NC(=S)N1CC(F)F ZINC000685950355 538893972 /nfs/dbraw/zinc/89/39/72/538893972.db2.gz YONFECUKZNSPGD-YFKPBYRVSA-N 0 0 221.276 2.345 10 0 BEAERN CCC1(C)CC[NH+](C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000685950821 538894515 /nfs/dbraw/zinc/89/45/15/538894515.db2.gz ZODMFFZMAZNXFY-WDEREUQCSA-N 0 0 225.332 2.219 10 0 BEAERN CCCCCNC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190120750 357689759 /nfs/dbraw/zinc/68/97/59/357689759.db2.gz JLUCJONTMBNBDF-IJLUTSLNSA-N 0 0 240.347 2.043 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)C1C(C)(C)C1(C)C ZINC000073923075 325217110 /nfs/dbraw/zinc/21/71/10/325217110.db2.gz QNFWJLGBBGQDAS-AOOOYVTPSA-N 0 0 239.359 2.304 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190456613 357708552 /nfs/dbraw/zinc/70/85/52/357708552.db2.gz DETHXSUVWXZSQH-DGCLKSJQSA-N 0 0 239.359 2.450 10 0 BEAERN CCCCN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190733742 357729765 /nfs/dbraw/zinc/72/97/65/357729765.db2.gz IUCKRKRVZKHMHH-ZDUSSCGKSA-N 0 0 237.347 2.076 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc3c2CCN3)O1 ZINC000583270207 357775683 /nfs/dbraw/zinc/77/56/83/357775683.db2.gz BSBDOTBFZHHTLI-NOZJJQNGSA-N 0 0 246.310 2.161 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000191431461 357770228 /nfs/dbraw/zinc/77/02/28/357770228.db2.gz OIWCVZVNLDPOQV-WPRPVWTQSA-N 0 0 247.285 2.058 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CCCO[C@H]1C ZINC000191742905 357792647 /nfs/dbraw/zinc/79/26/47/357792647.db2.gz HVYNCLWJXMXMTO-QWRGUYRKSA-N 0 0 227.348 2.496 10 0 BEAERN COCCC1(CNC(=O)N[C@H](C)C(C)C)CC1 ZINC000132880940 325250494 /nfs/dbraw/zinc/25/04/94/325250494.db2.gz NULHXFACKIKAKW-LLVKDONJSA-N 0 0 242.363 2.147 10 0 BEAERN CSCCCCNC(=O)NCCC(C)C ZINC000133003475 325259990 /nfs/dbraw/zinc/25/99/90/325259990.db2.gz FIKNDFQWMGPNIZ-UHFFFAOYSA-N 0 0 232.393 2.475 10 0 BEAERN CCn1ncnc1CN1CCC[C@H]1c1ccco1 ZINC000193350477 357878954 /nfs/dbraw/zinc/87/89/54/357878954.db2.gz KOXQLCBGLBSFEK-NSHDSACASA-N 0 0 246.314 2.228 10 0 BEAERN C/C(=N\n1cnnc1)c1ccc(Cl)cc1 ZINC000100061967 357922448 /nfs/dbraw/zinc/92/24/48/357922448.db2.gz JZGFJGUPEHOILD-RIYZIHGNSA-N 0 0 220.663 2.204 10 0 BEAERN COCc1ccc(C(=O)Nc2n[nH]c(C)c2C)o1 ZINC000102868450 357937720 /nfs/dbraw/zinc/93/77/20/357937720.db2.gz RPQRPMOOPOZPDM-UHFFFAOYSA-N 0 0 249.270 2.018 10 0 BEAERN CC(C)[C@H](C)NC(=O)CCc1ccco1 ZINC000055473315 363592379 /nfs/dbraw/zinc/59/23/79/363592379.db2.gz AYOJPSSQMXEMPX-JTQLQIEISA-N 0 0 209.289 2.373 10 0 BEAERN NC(=O)[C@@H]1C[C@H]1c1ccccc1Br ZINC000168997469 358007461 /nfs/dbraw/zinc/00/74/61/358007461.db2.gz JESQDZMMQLLXIU-JGVFFNPUSA-N 0 0 240.100 2.038 10 0 BEAERN NC(=O)[C@@H]1C[C@@H]1c1ccccc1Br ZINC000168997291 358007748 /nfs/dbraw/zinc/00/77/48/358007748.db2.gz JESQDZMMQLLXIU-HTQZYQBOSA-N 0 0 240.100 2.038 10 0 BEAERN COC[C@@H](C)C(=O)N1CCc2c1cccc2C ZINC000103388032 358050637 /nfs/dbraw/zinc/05/06/37/358050637.db2.gz CYHOMRATZQEEAR-LLVKDONJSA-N 0 0 233.311 2.167 10 0 BEAERN CS(C)=NC(=O)OCc1ccccc1 ZINC000584658101 358120621 /nfs/dbraw/zinc/12/06/21/358120621.db2.gz AOFKHVGHWSWKGZ-UHFFFAOYSA-N 0 0 211.286 2.385 10 0 BEAERN CCC[C@@H](O)c1ccc2c(c1)CCC(=O)N2C ZINC000058112099 535399893 /nfs/dbraw/zinc/39/98/93/535399893.db2.gz OYAMEKXIFVZGER-CYBMUJFWSA-N 0 0 233.311 2.429 10 0 BEAERN CCOC(=O)C[C@H]1C(=O)CCCC1(C)C ZINC000038762702 358196211 /nfs/dbraw/zinc/19/62/11/358196211.db2.gz QKRKDBMSRYPICS-VIFPVBQESA-N 0 0 212.289 2.335 10 0 BEAERN O=C(c1ccccc1)C(Cl)(Cl)CO ZINC000039055812 358213980 /nfs/dbraw/zinc/21/39/80/358213980.db2.gz TUJXSTYBXGKZOG-UHFFFAOYSA-N 0 0 219.067 2.036 10 0 BEAERN CCOC(=O)/C(=C/c1cccs1)C(C)=O ZINC000039250021 358224453 /nfs/dbraw/zinc/22/44/53/358224453.db2.gz HDEPAJRNHPCHAL-JXMROGBWSA-N 0 0 224.281 2.284 10 0 BEAERN C[Si](C)(C)C#Cc1ncc(Cl)cn1 ZINC000223923337 358228107 /nfs/dbraw/zinc/22/81/07/358228107.db2.gz DXDWQLUNYPKHTO-UHFFFAOYSA-N 0 0 210.740 2.359 10 0 BEAERN c1ccc2c(c1)C[C@H]2CNc1cccnn1 ZINC000052816091 358232459 /nfs/dbraw/zinc/23/24/59/358232459.db2.gz FQDCUGHMRCJCMD-NSHDSACASA-N 0 0 211.268 2.228 10 0 BEAERN NNc1c2ccccc2nc2c1CCCC2 ZINC000040576784 358242144 /nfs/dbraw/zinc/24/21/44/358242144.db2.gz DUEMTPVZWKGXAY-UHFFFAOYSA-N 0 0 213.284 2.399 10 0 in-vivo BEAERN COc1cccc([C@@H]2CCCCNC2=O)c1 ZINC000039321740 358222110 /nfs/dbraw/zinc/22/21/10/358222110.db2.gz LDNFLWJRDDURLP-LBPRGKRZSA-N 0 0 219.284 2.079 10 0 BEAERN OCc1cccnc1SCC(F)(F)F ZINC000584612712 358276257 /nfs/dbraw/zinc/27/62/57/358276257.db2.gz ZHZPZVHLTAOOPY-UHFFFAOYSA-N 0 0 223.219 2.228 10 0 BEAERN Cc1csc(C2=NNC(=O)[C@H]3C=CC=C[C@@H]23)c1 ZINC000584612854 358276469 /nfs/dbraw/zinc/27/64/69/358276469.db2.gz OLIQCIVIDJGJQZ-ZJUUUORDSA-N 0 0 244.319 2.249 10 0 BEAERN O=S(=O)(c1ccc(F)cc1)N1C=CCCC1 ZINC000584613661 358278021 /nfs/dbraw/zinc/27/80/21/358278021.db2.gz VYRKGWDVFKEPRJ-UHFFFAOYSA-N 0 0 241.287 2.124 10 0 BEAERN CCCc1c(OC(C)=O)cccc1OC(C)=O ZINC000584614761 358279352 /nfs/dbraw/zinc/27/93/52/358279352.db2.gz IJISTVJBQUVAMW-UHFFFAOYSA-N 0 0 236.267 2.490 10 0 BEAERN COC(=O)[C@@H]1CCC[C@@](C(=O)OC)(C(C)C)C1 ZINC000584615256 358279987 /nfs/dbraw/zinc/27/99/87/358279987.db2.gz XBBPJCGIXSVFDS-MFKMUULPSA-N 0 0 242.315 2.165 10 0 BEAERN COC(=O)c1ccccc1N1CCC(OC)CC1 ZINC000584597824 358255809 /nfs/dbraw/zinc/25/58/09/358255809.db2.gz SHDHUUZXVKHVCZ-UHFFFAOYSA-N 0 0 249.310 2.088 10 0 BEAERN CO[C@@H]1Cc2c(ccc(F)c2Br)O1 ZINC000584597902 358255974 /nfs/dbraw/zinc/25/59/74/358255974.db2.gz YNVAGVFNKOCLMH-QMMMGPOBSA-N 0 0 247.063 2.496 10 0 BEAERN CCOC(=O)[C@@H]1[C@H](C)CC(=O)[C@@H](CC)[C@@H]1C ZINC000584600661 358256968 /nfs/dbraw/zinc/25/69/68/358256968.db2.gz SSSQHXJPGVBRGK-FYLLDIAZSA-N 0 0 226.316 2.437 10 0 BEAERN COC(=O)C1CCC(COCC2CC2)CC1 ZINC000584600396 358257093 /nfs/dbraw/zinc/25/70/93/358257093.db2.gz LDRRZJCRCCTMID-UHFFFAOYSA-N 0 0 226.316 2.392 10 0 BEAERN C[C@@]1(CO)CC[C@@H](O[C@@H]2CCCCO2)CC1 ZINC000584601477 358258972 /nfs/dbraw/zinc/25/89/72/358258972.db2.gz SJLYTRBXEPKQHW-JHJVBQTASA-N 0 0 228.332 2.471 10 0 BEAERN CCCCCS/C(=C\C(=O)OC)C(=O)OC ZINC000584602341 358260069 /nfs/dbraw/zinc/26/00/69/358260069.db2.gz DMPICALWPZLFSP-HJWRWDBZSA-N 0 0 246.328 2.140 10 0 BEAERN NC(=O)C1(c2ccc(Cl)nc2)CCCC1 ZINC000584602854 358260748 /nfs/dbraw/zinc/26/07/48/358260748.db2.gz FRSXUUCAOHEKQT-UHFFFAOYSA-N 0 0 224.691 2.032 10 0 BEAERN CCOC(=O)/C=C/C(F)(F)[C@H](O)c1ccco1 ZINC000584602944 358261506 /nfs/dbraw/zinc/26/15/06/358261506.db2.gz GBJIYEWVSLWVHA-BRAIEQGRSA-N 0 0 246.209 2.068 10 0 BEAERN COc1cc(C[C@@H](C)NC=O)ccc1Cl ZINC000584604014 358262417 /nfs/dbraw/zinc/26/24/17/358262417.db2.gz FCPWENSHXVCKSZ-MRVPVSSYSA-N 0 0 227.691 2.026 10 0 BEAERN [O-][n+]1ccc2oc(CCC3CC3)cc2c1 ZINC000584604049 358263292 /nfs/dbraw/zinc/26/32/92/358263292.db2.gz HNVZVJRSGROZEA-UHFFFAOYSA-N 0 0 203.241 2.409 10 0 BEAERN COC(=O)CS[C@H]1COc2ccccc21 ZINC000584606354 358265155 /nfs/dbraw/zinc/26/51/55/358265155.db2.gz SBFBZSBRBRAEAK-JTQLQIEISA-N 0 0 224.281 2.026 10 0 BEAERN C=C(OC(C)=O)c1ccc(C(=O)OC)cc1 ZINC000584606695 358265847 /nfs/dbraw/zinc/26/58/47/358265847.db2.gz XLQJEUKUGYXHSU-UHFFFAOYSA-N 0 0 220.224 2.007 10 0 BEAERN COC(=O)CCSC(=O)c1ccccc1 ZINC000584606767 358266450 /nfs/dbraw/zinc/26/64/50/358266450.db2.gz RZDRJMFQHKAREF-UHFFFAOYSA-N 0 0 224.281 2.123 10 0 BEAERN C[C@@H](O)C[C@@H](O)c1ccccc1Cl ZINC000584607145 358267338 /nfs/dbraw/zinc/26/73/38/358267338.db2.gz AHBMKWKEAYJYDR-GMSGAONNSA-N 0 0 200.665 2.144 10 0 BEAERN Cc1ccccc1NC(=O)N1CCCC1=O ZINC000584607857 358268641 /nfs/dbraw/zinc/26/86/41/358268641.db2.gz LVSCPIQFCFGRSJ-UHFFFAOYSA-N 0 0 218.256 2.149 10 0 BEAERN O=S(=O)(/C=C/c1ccccc1)C1CC1 ZINC000584609695 358271186 /nfs/dbraw/zinc/27/11/86/358271186.db2.gz WUYQHFFHLWGGEZ-CMDGGOBGSA-N 0 0 208.282 2.235 10 0 BEAERN CCNc1ccccc1/C=C/C(=O)OC ZINC000584610260 358273001 /nfs/dbraw/zinc/27/30/01/358273001.db2.gz VJVBXIARDHNTSI-CMDGGOBGSA-N 0 0 205.257 2.305 10 0 BEAERN CC(C)(C)OC(=O)[C@@H](O)c1ccc(F)cc1 ZINC000584611211 358274927 /nfs/dbraw/zinc/27/49/27/358274927.db2.gz YNUCILLKPKCFPS-JTQLQIEISA-N 0 0 226.247 2.201 10 0 BEAERN OCc1nccc2c1CC[C@H](CC1CC1)C2 ZINC000584619853 358286384 /nfs/dbraw/zinc/28/63/84/358286384.db2.gz HNJJGXUZFPMMOO-LLVKDONJSA-N 0 0 217.312 2.479 10 0 BEAERN C[C@@H](O)COc1ccc(C=O)c2ccccc12 ZINC000584620583 358287542 /nfs/dbraw/zinc/28/75/42/358287542.db2.gz KYSIKNAHBLJNGD-SNVBAGLBSA-N 0 0 230.263 2.412 10 0 BEAERN CCC(=O)N1CC[C@](O)(c2ccccc2)[C@@H](C)C1 ZINC000584621222 358288550 /nfs/dbraw/zinc/28/85/50/358288550.db2.gz VAJQTQOAMNCXHF-SWLSCSKDSA-N 0 0 247.338 2.153 10 0 BEAERN CC(C)(C)N1C(=O)c2cc(F)c(F)cc2C1=O ZINC000584622346 358290144 /nfs/dbraw/zinc/29/01/44/358290144.db2.gz IYRMPLHKTDZMLR-UHFFFAOYSA-N 0 0 239.221 2.359 10 0 BEAERN CC(=O)C(F)(F)C(=O)Nc1ccc(C)cc1 ZINC000584622692 358290511 /nfs/dbraw/zinc/29/05/11/358290511.db2.gz VJISDNWIRDPSKW-UHFFFAOYSA-N 0 0 227.210 2.158 10 0 BEAERN C[Si](C)(C)c1cnc(Cl)nc1Cl ZINC000584623111 358291165 /nfs/dbraw/zinc/29/11/65/358291165.db2.gz JSRGSVRBVSJJHD-UHFFFAOYSA-N 0 0 221.163 2.329 10 0 BEAERN Cc1ccc(NC(=O)c2cnc(N)s2)cc1 ZINC000584625023 358293876 /nfs/dbraw/zinc/29/38/76/358293876.db2.gz PFRWCPJVIPPAOO-UHFFFAOYSA-N 0 0 233.296 2.116 10 0 BEAERN CN1c2cc(-c3c[nH]cn3)ccc2C(C)(C)C1=O ZINC000584625829 358294744 /nfs/dbraw/zinc/29/47/44/358294744.db2.gz YMRYJUZEPWHJLU-UHFFFAOYSA-N 0 0 241.294 2.331 10 0 BEAERN Cc1nc2ccncc2cc1[Si](C)(C)C ZINC000584625912 358294757 /nfs/dbraw/zinc/29/47/57/358294757.db2.gz BDCDSYZDKCICBN-UHFFFAOYSA-N 0 0 216.360 2.483 10 0 BEAERN C[C@H](N[S@@](=O)C(C)(C)C)C1CCC1 ZINC000584627565 358297511 /nfs/dbraw/zinc/29/75/11/358297511.db2.gz WZZOKLRAFDPKGH-SDBXPKJASA-N 0 0 203.351 2.227 10 0 BEAERN Cc1cnc(CO)cc1OCc1ccccc1 ZINC000584629110 358298493 /nfs/dbraw/zinc/29/84/93/358298493.db2.gz CGNLVPKMDTYYIV-UHFFFAOYSA-N 0 0 229.279 2.461 10 0 BEAERN Cc1ccnc(NCC(F)(F)C(F)(F)F)n1 ZINC000584629492 358298525 /nfs/dbraw/zinc/29/85/25/358298525.db2.gz UVGVLSJQXXDUTD-UHFFFAOYSA-N 0 0 241.163 2.395 10 0 BEAERN O=C(NC(=O)c1ccccc1)c1cccs1 ZINC000584647601 358302182 /nfs/dbraw/zinc/30/21/82/358302182.db2.gz GBMSOCOZVWKRPY-UHFFFAOYSA-N 0 0 231.276 2.318 10 0 BEAERN Cc1c(CNC(N)=O)cccc1C(F)F ZINC000584649774 358304140 /nfs/dbraw/zinc/30/41/40/358304140.db2.gz LBVWYXRVWXVSQY-UHFFFAOYSA-N 0 0 214.215 2.101 10 0 BEAERN FC(F)(F)[C@]1(c2ccnc(Cl)c2)C=CNN1 ZINC000584649148 358304358 /nfs/dbraw/zinc/30/43/58/358304358.db2.gz WWTDJRLONPZVQL-MRVPVSSYSA-N 0 0 249.623 2.472 10 0 BEAERN C1=Cc2c(ccc3c2ccc2c3C=C[C@@]3(C=2)CO3)=C1 ZINC000584650718 358305057 /nfs/dbraw/zinc/30/50/57/358305057.db2.gz GBWQZDHEXGAPRX-GOSISDBHSA-N 0 0 244.293 2.223 10 0 BEAERN COC[C@H](C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000172476513 134267611 /nfs/dbraw/zinc/26/76/11/134267611.db2.gz CXHUUUAWYFAHEJ-DCAQKATOSA-N 0 0 227.348 2.210 10 0 BEAERN CN1C(=O)C[C@]2(CC[C@H]3CCCC[C@H]3C2)C1=O ZINC000584652242 358307261 /nfs/dbraw/zinc/30/72/61/358307261.db2.gz BDPFPWDAJLJNSE-UHIISALHSA-N 0 0 235.327 2.352 10 0 BEAERN O=C1CC2(CC[C@@H]3CCCC[C@H]3C2)CC(=O)N1 ZINC000584652605 358307638 /nfs/dbraw/zinc/30/76/38/358307638.db2.gz UTYQTGUYWXBRNF-QWRGUYRKSA-N 0 0 235.327 2.400 10 0 BEAERN O=C1CC2(CC[C@@H]3CCCC[C@@H]3C2)CC(=O)N1 ZINC000584652606 358307657 /nfs/dbraw/zinc/30/76/57/358307657.db2.gz UTYQTGUYWXBRNF-WDEREUQCSA-N 0 0 235.327 2.400 10 0 BEAERN C=COC(=O)c1ccc(C(=O)OCC)cc1 ZINC000584652507 358307661 /nfs/dbraw/zinc/30/76/61/358307661.db2.gz NJWKYLZENHXHKO-UHFFFAOYSA-N 0 0 220.224 2.164 10 0 BEAERN O=C1CC2(CC[C@H]3CCCC[C@@H]3C2)CC(=O)N1 ZINC000584652591 358307672 /nfs/dbraw/zinc/30/76/72/358307672.db2.gz UTYQTGUYWXBRNF-GHMZBOCLSA-N 0 0 235.327 2.400 10 0 BEAERN Cc1cccc(CO[S@@](=O)C(F)(F)F)n1 ZINC000584652354 358307825 /nfs/dbraw/zinc/30/78/25/358307825.db2.gz PGOAORZZALKEIW-OAHLLOKOSA-N 0 0 239.218 2.090 10 0 BEAERN COC(=O)C1=NNN(c2ccc(Cl)cc2)C1 ZINC000584659007 358310662 /nfs/dbraw/zinc/31/06/62/358310662.db2.gz HWPLHTPPJQSZBI-VIFPVBQESA-N 0 0 239.662 2.069 10 0 BEAERN C[C@H]1CC=CN(S(=O)(=O)c2ccccc2)C1 ZINC000584616590 358281421 /nfs/dbraw/zinc/28/14/21/358281421.db2.gz HLWKZOSBTCZXRD-NSHDSACASA-N 0 0 237.324 2.231 10 0 BEAERN O=C([O-])[C@H]1CCC2=C(C1)[NH2+][C@H]1CC=C(F)C=C21 ZINC000584617267 358282001 /nfs/dbraw/zinc/28/20/01/358282001.db2.gz PFUPFRUWNMLWDH-CPCISQLKSA-N 0 0 235.258 2.281 10 0 BEAERN CN1CCCN(CCCCO)c2ccccc21 ZINC000172548618 134268029 /nfs/dbraw/zinc/26/80/29/134268029.db2.gz KPIXKJFFXGWWQG-UHFFFAOYSA-N 0 0 234.343 2.105 10 0 BEAERN CC(C)Cn1ncc2cc(F)cc(CO)c21 ZINC000584618083 358283609 /nfs/dbraw/zinc/28/36/09/358283609.db2.gz OMJMYBSXTXVTDC-UHFFFAOYSA-N 0 0 222.263 2.324 10 0 BEAERN CCOC(=O)[C@H](C)Oc1c(C)cc(N)cc1C ZINC000584643686 358328279 /nfs/dbraw/zinc/32/82/79/358328279.db2.gz VLNSEPZWOAKFTF-JTQLQIEISA-N 0 0 237.299 2.216 10 0 BEAERN CC(F)(F)C(=O)NCc1ccc(Cl)c(N)c1 ZINC000584644066 358329129 /nfs/dbraw/zinc/32/91/29/358329129.db2.gz NBIGOYBDHWGURG-UHFFFAOYSA-N 0 0 248.660 2.194 10 0 BEAERN CCc1[nH]c(=O)c(C(=O)N(C)CC)cc1Cl ZINC000584633035 358316213 /nfs/dbraw/zinc/31/62/13/358316213.db2.gz UZKHTLRQPNVTOI-UHFFFAOYSA-N 0 0 242.706 2.095 10 0 BEAERN Cc1[nH]c(=O)c(C(=O)NC2CCC2)cc1Cl ZINC000584633159 358316405 /nfs/dbraw/zinc/31/64/05/358316405.db2.gz YFPOCDVTMNMPCY-UHFFFAOYSA-N 0 0 240.690 2.031 10 0 BEAERN CCCc1[nH]c(=O)c(C(=O)NCC)cc1Cl ZINC000584632830 358316417 /nfs/dbraw/zinc/31/64/17/358316417.db2.gz OZFCGOQYWLHGTD-UHFFFAOYSA-N 0 0 242.706 2.143 10 0 BEAERN Cc1[nH]c(=O)c(C(=O)NCC(C)C)cc1Cl ZINC000584633231 358316946 /nfs/dbraw/zinc/31/69/46/358316946.db2.gz ZNGVQQNJHIVHMV-UHFFFAOYSA-N 0 0 242.706 2.135 10 0 BEAERN O=C(C[C@@H](O)C(F)(F)F)c1ccsc1 ZINC000584634692 358318898 /nfs/dbraw/zinc/31/88/98/358318898.db2.gz SOUFDMATEYGUOQ-SSDOTTSWSA-N 0 0 224.203 2.244 10 0 BEAERN ON1C(c2ccccc2)=NOC12CCCC2 ZINC000584636287 358321006 /nfs/dbraw/zinc/32/10/06/358321006.db2.gz SCOOBQCPXCWRJC-UHFFFAOYSA-N 0 0 218.256 2.340 10 0 BEAERN NC(=O)c1cc(Cl)ccc1C(F)F ZINC000584638214 358323645 /nfs/dbraw/zinc/32/36/45/358323645.db2.gz CUNATSGHKHDIBN-UHFFFAOYSA-N 0 0 205.591 2.377 10 0 BEAERN COC(OC)c1ccc2c(n1)NCCCC2 ZINC000584638577 358324176 /nfs/dbraw/zinc/32/41/76/358324176.db2.gz BXEFYYQUTDXMHO-UHFFFAOYSA-N 0 0 222.288 2.121 10 0 BEAERN COc1ncnc(Cl)c1NC1CCCC1 ZINC000584639267 358324467 /nfs/dbraw/zinc/32/44/67/358324467.db2.gz JQYLQCSXACZCAG-UHFFFAOYSA-N 0 0 227.695 2.493 10 0 BEAERN CON1C=CCc2cc(Cl)ccc2C1=O ZINC000584640289 358326176 /nfs/dbraw/zinc/32/61/76/358326176.db2.gz WGIFGGDRYWRREF-UHFFFAOYSA-N 0 0 223.659 2.413 10 0 BEAERN Nc1c2c(cc3cc(F)ccc13)COC2=O ZINC000584640613 358326624 /nfs/dbraw/zinc/32/66/24/358326624.db2.gz BKRQSLKHUJEZAO-UHFFFAOYSA-N 0 0 217.199 2.232 10 0 BEAERN CNc1cc2c(cc1Cl)[nH]c(=O)c1cncn12 ZINC000584641169 358327395 /nfs/dbraw/zinc/32/73/95/358327395.db2.gz MYTQTCNLUVLVOK-UHFFFAOYSA-N 0 0 248.673 2.283 10 0 BEAERN Cc1noc(C)c1CN[C@@H](C)c1nccnc1C ZINC000219111380 134274852 /nfs/dbraw/zinc/27/48/52/134274852.db2.gz RHOKUFMTWJHNEO-JTQLQIEISA-N 0 0 246.314 2.241 10 0 BEAERN COc1ccccc1-c1cn2cccnc2n1 ZINC000042829303 358360279 /nfs/dbraw/zinc/36/02/79/358360279.db2.gz UEBITUPHQPDLAE-UHFFFAOYSA-N 0 0 225.251 2.405 10 0 BEAERN CC[C@](C)(CCO)Nc1nc(C)cc(C)n1 ZINC000230144861 358394747 /nfs/dbraw/zinc/39/47/47/358394747.db2.gz ISCRTYJDIMDZPA-GFCCVEGCSA-N 0 0 223.320 2.056 10 0 BEAERN CCc1nc(C)cc(N2CCC[C@H]2CCCO)n1 ZINC000310778159 358445012 /nfs/dbraw/zinc/44/50/12/358445012.db2.gz WLHLNIRTHRKCML-LBPRGKRZSA-N 0 0 249.358 2.089 10 0 BEAERN O=C(c1ccccc1)c1nccnc1Cl ZINC000034446128 358451421 /nfs/dbraw/zinc/45/14/21/358451421.db2.gz HPNXDUXDGMPNOJ-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN COc1cccc(C2CC(=O)CC(=O)C2)c1OC ZINC000100397250 358420555 /nfs/dbraw/zinc/42/05/55/358420555.db2.gz FHVKUPOFWPTOBG-UHFFFAOYSA-N 0 0 248.278 2.110 10 0 BEAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCSC(C)(C)CC1 ZINC000231054328 358579489 /nfs/dbraw/zinc/57/94/89/358579489.db2.gz BMVPCEXPAUHWPW-VIFPVBQESA-N 0 0 231.361 2.067 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000124708586 358525024 /nfs/dbraw/zinc/52/50/24/358525024.db2.gz WSROYBMDBPCTEC-LLVKDONJSA-N 0 0 247.342 2.162 10 0 BEAERN CCOC(=O)[C@@H](F)c1cccc(OC)c1 ZINC000086242891 358527241 /nfs/dbraw/zinc/52/72/41/358527241.db2.gz HTHUEGANFKXSPR-JTQLQIEISA-N 0 0 212.220 2.269 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1ccon1 ZINC000125381415 358538363 /nfs/dbraw/zinc/53/83/63/358538363.db2.gz JKOGUMJARXBPFL-SNVBAGLBSA-N 0 0 222.288 2.469 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1cnn(C)c1 ZINC000125414843 358538668 /nfs/dbraw/zinc/53/86/68/358538668.db2.gz WLBNOWSXRLAUMW-GFCCVEGCSA-N 0 0 235.331 2.215 10 0 BEAERN CCC[C@H](C)CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000130294649 358616598 /nfs/dbraw/zinc/61/65/98/358616598.db2.gz RXVOBCLMKPZDKL-SDDRHHMPSA-N 0 0 227.348 2.449 10 0 BEAERN CCCCC(=O)NCc1nccn1CC(C)C ZINC000131326320 358671327 /nfs/dbraw/zinc/67/13/27/358671327.db2.gz ONDZQAXRDAZSTN-UHFFFAOYSA-N 0 0 237.347 2.346 10 0 BEAERN COCc1ccccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000131599922 358684400 /nfs/dbraw/zinc/68/44/00/358684400.db2.gz IYRCYULZFPOBNA-GWCFXTLKSA-N 0 0 249.310 2.339 10 0 BEAERN O=C(c1ccnnc1)N1CCC[C@@H]1c1ccco1 ZINC000131810667 358695743 /nfs/dbraw/zinc/69/57/43/358695743.db2.gz NHNUZHOJLBYHSX-LLVKDONJSA-N 0 0 243.266 2.047 10 0 BEAERN O=C(c1ccnnc1)N1CCC[C@H]1c1ccco1 ZINC000131810453 358696023 /nfs/dbraw/zinc/69/60/23/358696023.db2.gz NHNUZHOJLBYHSX-NSHDSACASA-N 0 0 243.266 2.047 10 0 BEAERN CC[C@@H](CCO)NC(=O)CCc1ccc(C)cc1 ZINC000133822864 358770196 /nfs/dbraw/zinc/77/01/96/358770196.db2.gz OGYIHIFFSRIEDD-AWEZNQCLSA-N 0 0 249.354 2.205 10 0 BEAERN CCc1cc(C(=O)Nc2ccn(C)n2)oc1CC ZINC000133188797 358747484 /nfs/dbraw/zinc/74/74/84/358747484.db2.gz BPDXZXXIPUQHAJ-UHFFFAOYSA-N 0 0 247.298 2.390 10 0 BEAERN CC(C)CCC(=O)NCc1cscn1 ZINC000050406346 358729014 /nfs/dbraw/zinc/72/90/14/358729014.db2.gz GOBHBCDVHHZNIJ-UHFFFAOYSA-N 0 0 212.318 2.196 10 0 BEAERN O=C(C[C@@H]1C=CCC1)NCc1cscn1 ZINC000050406852 358729139 /nfs/dbraw/zinc/72/91/39/358729139.db2.gz HOIOZYFPWVUGAL-SECBINFHSA-N 0 0 222.313 2.116 10 0 BEAERN COC(=O)Cc1sccc1Br ZINC000219713482 134290401 /nfs/dbraw/zinc/29/04/01/134290401.db2.gz KDRYTEZWSRTHDR-UHFFFAOYSA-N 0 0 235.102 2.226 10 0 BEAERN COc1cccc(F)c1[C@H](C)[NH2+]CC[C@@H](C)O ZINC000135146236 358822354 /nfs/dbraw/zinc/82/23/54/358822354.db2.gz VIAAQOOLMWWWGB-ZJUUUORDSA-N 0 0 241.306 2.256 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)NC1CCC(C)CC1 ZINC000134462731 358790391 /nfs/dbraw/zinc/79/03/91/358790391.db2.gz ANRUMOIHEXZFOR-POSLAHMBSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)c1cc(N[C@H]2CCO[C@@H]2C)ncn1 ZINC000134574485 358796375 /nfs/dbraw/zinc/79/63/75/358796375.db2.gz UMMYASCBQYUAHI-ZJUUUORDSA-N 0 0 221.304 2.189 10 0 BEAERN COc1cccc(F)c1[C@H](C)NCc1cc[nH]n1 ZINC000134773504 358805268 /nfs/dbraw/zinc/80/52/68/358805268.db2.gz GKJLIXXVLMYNND-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN CCCC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135270716 358828434 /nfs/dbraw/zinc/82/84/34/358828434.db2.gz BLIXLPQBPMUHCL-ZDUSSCGKSA-N 0 0 249.310 2.092 10 0 BEAERN Cc1nn(C)cc1NCC=C(Cl)Cl ZINC000403374239 358900273 /nfs/dbraw/zinc/90/02/73/358900273.db2.gz DFYMBWKYXICQHW-UHFFFAOYSA-N 0 0 220.103 2.459 10 0 BEAERN C[C@H](O)[C@H](C)S[C@@H]1CCCCC[C@H]1O ZINC000300341882 358967823 /nfs/dbraw/zinc/96/78/23/358967823.db2.gz YJNWBDWLBYMPCY-UKKRHICBSA-N 0 0 218.362 2.183 10 0 BEAERN O=C1CSC([C@H]2CSCCS2)=N1 ZINC000306170645 358979662 /nfs/dbraw/zinc/97/96/62/358979662.db2.gz HXTBPIOSHDZYFM-RXMQYKEDSA-N 0 0 219.356 2.370 10 0 BEAERN O=C1CSC([C@@H]2CSCCS2)=N1 ZINC000306170648 358979336 /nfs/dbraw/zinc/97/93/36/358979336.db2.gz HXTBPIOSHDZYFM-YFKPBYRVSA-N 0 0 219.356 2.370 10 0 BEAERN COCCCCNC(=O)CCc1ccc(C)cc1 ZINC000060578554 358926646 /nfs/dbraw/zinc/92/66/46/358926646.db2.gz HSPZADAEKBQOJI-UHFFFAOYSA-N 0 0 249.354 2.470 10 0 BEAERN CC(C)(O)CCNc1csc(Cl)n1 ZINC000306154375 358940278 /nfs/dbraw/zinc/94/02/78/358940278.db2.gz BNAMOYDJKISLTE-UHFFFAOYSA-N 0 0 220.725 2.369 10 0 BEAERN O[C@@H](c1ccsn1)c1ncccc1Cl ZINC000306158129 358953184 /nfs/dbraw/zinc/95/31/84/358953184.db2.gz DHJGCCTXDXTVCZ-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN CC(C)(C)OCc1ccnc(Cl)n1 ZINC000306200435 359028137 /nfs/dbraw/zinc/02/81/37/359028137.db2.gz SYYIOWFELBKJNY-UHFFFAOYSA-N 0 0 200.669 2.445 10 0 BEAERN CC[C@@H]1OCC[C@@H]1c1nnc(Cl)s1 ZINC000300383962 358981073 /nfs/dbraw/zinc/98/10/73/358981073.db2.gz PQAXPYITMIAOCB-WDSKDSINSA-N 0 0 218.709 2.474 10 0 BEAERN CCSc1cc(Br)ncn1 ZINC000160878016 358983293 /nfs/dbraw/zinc/98/32/93/358983293.db2.gz GDOWBDWTKRBXHT-UHFFFAOYSA-N 0 0 219.107 2.351 10 0 BEAERN Cc1ccc(Cl)c([C@@H](O)[C@@H](C)O)c1 ZINC000306175702 358983814 /nfs/dbraw/zinc/98/38/14/358983814.db2.gz NDEJINCQMTZJDX-XCBNKYQSSA-N 0 0 200.665 2.063 10 0 BEAERN Cc1ccc([C@@]2(C)CC[C@@H](CO)O2)s1 ZINC000306178237 358987470 /nfs/dbraw/zinc/98/74/70/358987470.db2.gz HGIBHQFMKNLFGQ-GXSJLCMTSA-N 0 0 212.314 2.443 10 0 BEAERN Cc1ccc([C@]2(C)CC[C@H](CO)O2)s1 ZINC000306178239 358987885 /nfs/dbraw/zinc/98/78/85/358987885.db2.gz HGIBHQFMKNLFGQ-KOLCDFICSA-N 0 0 212.314 2.443 10 0 BEAERN Cc1cc([C@H](O)[C@H]2CCCCO2)sn1 ZINC000306178636 358990677 /nfs/dbraw/zinc/99/06/77/358990677.db2.gz HLTAWNQXVOYKHH-PSASIEDQSA-N 0 0 213.302 2.054 10 0 BEAERN CCc1nc(Br)cc(NCCF)n1 ZINC000306179241 358990951 /nfs/dbraw/zinc/99/09/51/358990951.db2.gz ZVZXHCFVBDGJMP-UHFFFAOYSA-N 0 0 248.099 2.183 10 0 BEAERN C[C@@H](O)c1nc2c(ccc(Cl)c2F)[nH]1 ZINC000306179368 358992209 /nfs/dbraw/zinc/99/22/09/358992209.db2.gz FCQQNNQALIBORT-SCSAIBSYSA-N 0 0 214.627 2.409 10 0 BEAERN COc1ccc(-c2ccc(C=O)o2)nc1 ZINC000306182232 358996825 /nfs/dbraw/zinc/99/68/25/358996825.db2.gz WXTUEWMHLXZPGW-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000246444126 359089816 /nfs/dbraw/zinc/08/98/16/359089816.db2.gz DWGYUVVNEVEWRJ-NDBYEHHHSA-N 0 0 239.359 2.496 10 0 BEAERN CC(C)C(=O)N1CCC[C@@H]1c1nccs1 ZINC000074909123 359134216 /nfs/dbraw/zinc/13/42/16/359134216.db2.gz SRRKCTQIUKBFKH-SECBINFHSA-N 0 0 224.329 2.463 10 0 BEAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@H]2CCCC[C@H]21 ZINC000246905884 359175012 /nfs/dbraw/zinc/17/50/12/359175012.db2.gz NOPWBMHZLJPUCK-BJJPWKGXSA-N 0 0 249.354 2.203 10 0 BEAERN CC[C@H](C)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248062474 359252994 /nfs/dbraw/zinc/25/29/94/359252994.db2.gz YQTKYFHEFJDNGG-SGMGOOAPSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C)CCO2)o1 ZINC000247162506 359197391 /nfs/dbraw/zinc/19/73/91/359197391.db2.gz XQSTWUZGQYXJCA-CDMKHQONSA-N 0 0 249.310 2.144 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2[C@@H](C)COC[C@@H]2C)C1 ZINC000247174814 359199470 /nfs/dbraw/zinc/19/94/70/359199470.db2.gz YSXOMNCWQHSMOH-VOAKCMCISA-N 0 0 239.359 2.449 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ccncc2Cl)C1 ZINC000308891917 491139825 /nfs/dbraw/zinc/13/98/25/491139825.db2.gz XHXTXAJMFIUEDK-IUCAKERBSA-N 0 0 226.707 2.450 10 0 BEAERN CC[C@@H](N)c1nnc(C(C)(F)F)s1 ZINC000306203736 359293766 /nfs/dbraw/zinc/29/37/66/359293766.db2.gz MWMHBPACHBNUMB-SCSAIBSYSA-N 0 0 207.249 2.060 10 0 BEAERN COc1ccc([C@]2(O)CCS[C@H]2C)s1 ZINC000306204294 359294369 /nfs/dbraw/zinc/29/43/69/359294369.db2.gz NGHAONFJWMUBFJ-XVKPBYJWSA-N 0 0 230.354 2.470 10 0 BEAERN C[C@H](F)CCn1ccc(Br)n1 ZINC000306205523 359297189 /nfs/dbraw/zinc/29/71/89/359297189.db2.gz YMIKZSAYFWEQAW-LURJTMIESA-N 0 0 221.073 2.394 10 0 BEAERN Cc1ncc([C@H]2NC[C@@H](C)S2)s1 ZINC000306207682 359299049 /nfs/dbraw/zinc/29/90/49/359299049.db2.gz JKAOICKTBNGCLO-XRGYYRRGSA-N 0 0 200.332 2.175 10 0 BEAERN COC[C@@H](C)Oc1nc(Cl)ncc1Cl ZINC000086621754 359303122 /nfs/dbraw/zinc/30/31/22/359303122.db2.gz MQNLDEFVGJJXAY-RXMQYKEDSA-N 0 0 237.086 2.197 10 0 BEAERN O[C@@H]1CCCC[C@@H](Cc2csnn2)C1 ZINC000306214406 359315788 /nfs/dbraw/zinc/31/57/88/359315788.db2.gz YSTOITYWMZUCGZ-WCBMZHEXSA-N 0 0 212.318 2.022 10 0 BEAERN O[C@@H]1CCCC[C@H](Cc2csnn2)C1 ZINC000306214404 359316005 /nfs/dbraw/zinc/31/60/05/359316005.db2.gz YSTOITYWMZUCGZ-PSASIEDQSA-N 0 0 212.318 2.022 10 0 BEAERN O=C(c1csnn1)c1ccsc1Cl ZINC000306222751 359344165 /nfs/dbraw/zinc/34/41/65/359344165.db2.gz KRKHBHVFZZDJAN-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN O=CNCc1cc(Cl)sc1Cl ZINC000306220689 359345390 /nfs/dbraw/zinc/34/53/90/359345390.db2.gz ICRCUSINJZVJHD-UHFFFAOYSA-N 0 0 210.085 2.301 10 0 BEAERN Nc1ccnc(-c2ccsc2Cl)n1 ZINC000306239809 359408616 /nfs/dbraw/zinc/40/86/16/359408616.db2.gz QHIMQVAOIXKQBD-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cc1nc([C@@H](C)Nc2ncns2)cs1 ZINC000306241804 359424172 /nfs/dbraw/zinc/42/41/72/359424172.db2.gz RXHILDARHNAGCG-RXMQYKEDSA-N 0 0 226.330 2.476 10 0 BEAERN C[C@H]1CC[C@H]1Nc1nc(Cl)ncc1F ZINC000306233189 359390205 /nfs/dbraw/zinc/39/02/05/359390205.db2.gz MSOBBMPWZLPTFX-CAHLUQPWSA-N 0 0 215.659 2.480 10 0 BEAERN CC(C)(C)Oc1c(N)cncc1Cl ZINC000306236928 359398100 /nfs/dbraw/zinc/39/81/00/359398100.db2.gz OCZRCBWMLDVQSK-UHFFFAOYSA-N 0 0 200.669 2.495 10 0 BEAERN Cc1sc(=S)[nH]c1[C@H]1CCOC1 ZINC000306249018 359446905 /nfs/dbraw/zinc/44/69/05/359446905.db2.gz HTCNDJRUGQEZQB-LURJTMIESA-N 0 0 201.316 2.244 10 0 BEAERN C[C@H](NO)c1ccc(O)c(Br)c1 ZINC000306251349 359457870 /nfs/dbraw/zinc/45/78/70/359457870.db2.gz TYJGJZVZNRUZBQ-YFKPBYRVSA-N 0 0 232.077 2.195 10 0 BEAERN CCc1noc([C@@]2(C)CC2(Cl)Cl)n1 ZINC000306267808 359489195 /nfs/dbraw/zinc/48/91/95/359489195.db2.gz JKZMQIWQMJVOFD-SSDOTTSWSA-N 0 0 221.087 2.467 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CC(C)(C)C1 ZINC000217764226 359565748 /nfs/dbraw/zinc/56/57/48/359565748.db2.gz YSBZINBIZFCHTH-UWVGGRQHSA-N 0 0 243.347 2.451 10 0 BEAERN C[C@@H]1CCCN1Cc1cc(Br)no1 ZINC000306299068 359545190 /nfs/dbraw/zinc/54/51/90/359545190.db2.gz DTEIARPFSAKHRH-SSDOTTSWSA-N 0 0 245.120 2.421 10 0 BEAERN COc1c(C)nc(CSC)nc1Cl ZINC000306309919 359592033 /nfs/dbraw/zinc/59/20/33/359592033.db2.gz LSUOWEBDRPTNCU-UHFFFAOYSA-N 0 0 218.709 2.310 10 0 BEAERN COC(=O)[C@@H](C)c1cccc(F)c1F ZINC000069640304 359689707 /nfs/dbraw/zinc/68/97/07/359689707.db2.gz CNTAAFCTRKNWTO-LURJTMIESA-N 0 0 200.184 2.241 10 0 BEAERN COc1nc2c(cc(Br)cc2N)o1 ZINC000306369908 359698668 /nfs/dbraw/zinc/69/86/68/359698668.db2.gz MGSUJIULRVMZIA-UHFFFAOYSA-N 0 0 243.060 2.181 10 0 BEAERN CNc1ccc(C(N)=S)cc1Br ZINC000169191900 359700818 /nfs/dbraw/zinc/70/08/18/359700818.db2.gz YTOICNUCKUYKPG-UHFFFAOYSA-N 0 0 245.145 2.125 10 0 BEAERN Cc1ncc(C(=O)c2cscn2)s1 ZINC000306393617 359759597 /nfs/dbraw/zinc/75/95/97/359759597.db2.gz FZNSLPWOHWDBET-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN [NH3+][C@@H](C1CCCC1)C1(C(=O)[O-])CCCC1 ZINC000306383922 359735647 /nfs/dbraw/zinc/73/56/47/359735647.db2.gz VPOKRDWEXOFZEZ-JTQLQIEISA-N 0 0 211.305 2.149 10 0 BEAERN O=C(c1cccc(Cl)c1Cl)N1CC1 ZINC000306410138 359799284 /nfs/dbraw/zinc/79/92/84/359799284.db2.gz MZKUMFZUOQEWBO-UHFFFAOYSA-N 0 0 216.067 2.449 10 0 BEAERN Cc1nc(-c2coc(Br)c2)n[nH]1 ZINC000306424770 359866746 /nfs/dbraw/zinc/86/67/46/359866746.db2.gz CBLXHLKAGRIOLV-UHFFFAOYSA-N 0 0 228.049 2.136 10 0 BEAERN C[C@@H](Nc1ccncc1F)[C@@H]1CCCO1 ZINC000309158763 491145684 /nfs/dbraw/zinc/14/56/84/491145684.db2.gz YEQDFVHQGQWOQH-KCJUWKMLSA-N 0 0 210.252 2.200 10 0 BEAERN Cc1ccnc(N[C@@H]2CCC[C@H](O)C2)c1 ZINC000309140086 491145459 /nfs/dbraw/zinc/14/54/59/491145459.db2.gz GWORHMNUICEWQD-MNOVXSKESA-N 0 0 206.289 2.105 10 0 BEAERN CC(C)[C@@H](O)Cc1nc([C@H]2CCCS2)no1 ZINC000087716877 359925272 /nfs/dbraw/zinc/92/52/72/359925272.db2.gz RXJRRHMGBZVNSP-DTWKUNHWSA-N 0 0 242.344 2.197 10 0 BEAERN C[C@](O)(Cc1nccs1)c1ccoc1 ZINC000169260224 359981437 /nfs/dbraw/zinc/98/14/37/359981437.db2.gz DXQTYWCXCNHETG-JTQLQIEISA-N 0 0 209.270 2.186 10 0 BEAERN CNC(=O)c1cc(C)c(Br)c(C)c1 ZINC000306446065 360008826 /nfs/dbraw/zinc/00/88/26/360008826.db2.gz UMGDJDGFOXNZSQ-UHFFFAOYSA-N 0 0 242.116 2.426 10 0 BEAERN FC1(Cc2sccc2Cl)CNC1 ZINC000306453234 360045409 /nfs/dbraw/zinc/04/54/09/360045409.db2.gz WXUVYQHJULTYKV-UHFFFAOYSA-N 0 0 205.685 2.256 10 0 BEAERN O=C(NC[C@@H]1CCC[C@@H]1O)C1CCCCCC1 ZINC000089151635 359994399 /nfs/dbraw/zinc/99/43/99/359994399.db2.gz NGKGJBRSRHNKLV-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN O=C(CCC1CCCC1)NC[C@H]1CCC[C@H]1O ZINC000089163337 359997215 /nfs/dbraw/zinc/99/72/15/359997215.db2.gz ISLUWYFSXLCCBE-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN CCCCNc1nc2c(s1)NCCC2 ZINC000536956773 360007469 /nfs/dbraw/zinc/00/74/69/360007469.db2.gz AFDNFPCXXGKVJB-UHFFFAOYSA-N 0 0 211.334 2.135 10 0 BEAERN CCn1c(C)nnc1CSCCOC(C)C ZINC000091029652 360098944 /nfs/dbraw/zinc/09/89/44/360098944.db2.gz JJEQRZSFISIYQW-UHFFFAOYSA-N 0 0 243.376 2.265 10 0 BEAERN CO[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000306458721 360056397 /nfs/dbraw/zinc/05/63/97/360056397.db2.gz CUVFISIVXLMRGD-QMMMGPOBSA-N 0 0 203.241 2.386 10 0 BEAERN CO[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000306458717 360056485 /nfs/dbraw/zinc/05/64/85/360056485.db2.gz CUVFISIVXLMRGD-MRVPVSSYSA-N 0 0 203.241 2.386 10 0 BEAERN C[C@@H]1OCCN(CC(Cl)(Cl)Cl)[C@H]1C ZINC000306462303 360073124 /nfs/dbraw/zinc/07/31/24/360073124.db2.gz GWTYNBXKKXUJIC-BQBZGAKWSA-N 0 0 246.565 2.466 10 0 BEAERN COc1cc(N[C@H]2COc3ccccc32)ncn1 ZINC000090790510 360089552 /nfs/dbraw/zinc/08/95/52/360089552.db2.gz AOCXDSFRBLBEKB-JTQLQIEISA-N 0 0 243.266 2.031 10 0 BEAERN O[C@@H](c1ccsn1)c1cncc(Cl)c1 ZINC000306474559 360112506 /nfs/dbraw/zinc/11/25/06/360112506.db2.gz GKMHLKPZTGNYDY-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN O=C([O-])[C@]1(Cc2sccc2Cl)CC[NH2+]C1 ZINC000306478706 360115943 /nfs/dbraw/zinc/11/59/43/360115943.db2.gz ZPAFSNXTISTFBP-JTQLQIEISA-N 0 0 245.731 2.008 10 0 BEAERN O[C@@]1(c2cncc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000306484820 360160043 /nfs/dbraw/zinc/16/00/43/360160043.db2.gz QTPGGJRZKAASEX-URLYPYJESA-N 0 0 209.676 2.353 10 0 BEAERN C[C@@H]1SCC[C@@H]1n1cc[nH]c1=S ZINC000306491140 360206349 /nfs/dbraw/zinc/20/63/49/360206349.db2.gz KSMZWWMAMNQWTJ-BQBZGAKWSA-N 0 0 200.332 2.238 10 0 BEAERN CC(C)Oc1nc(N)nc2ccsc21 ZINC000306514675 360338109 /nfs/dbraw/zinc/33/81/09/360338109.db2.gz ARXRDVFTHAPRRP-UHFFFAOYSA-N 0 0 209.274 2.061 10 0 BEAERN C[C@@H](C[N@@H+]1CCCC12CCCC2)C(=O)[O-] ZINC000306515295 360341339 /nfs/dbraw/zinc/34/13/39/360341339.db2.gz CQSFEABFJGYBSR-JTQLQIEISA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H](Nc1ncnc2c1CCCC2)[C@@H]1CCCO1 ZINC000094727940 360316114 /nfs/dbraw/zinc/31/61/14/360316114.db2.gz ZZUZNNQAXISRDL-MFKMUULPSA-N 0 0 247.342 2.335 10 0 BEAERN C[C@@H](Nc1ncnc2c1CCCC2)[C@H]1CCCO1 ZINC000094727942 360316356 /nfs/dbraw/zinc/31/63/56/360316356.db2.gz ZZUZNNQAXISRDL-ZWNOBZJWSA-N 0 0 247.342 2.335 10 0 BEAERN C[C@H]1CCC[C@H]1NC(=O)C(F)(F)Cl ZINC000306527160 360367097 /nfs/dbraw/zinc/36/70/97/360367097.db2.gz WQIVWVGYCIOXSQ-NTSWFWBYSA-N 0 0 211.639 2.123 10 0 BEAERN CC[C@H]1[C@H](C)CCN1C1N=NC(=S)S1 ZINC000306524654 360369891 /nfs/dbraw/zinc/36/98/91/360369891.db2.gz ZLZIGWYMNQMUMD-RQJHMYQMSA-N 0 0 229.374 2.452 10 0 BEAERN Nc1cnc(Oc2cncc(F)c2)s1 ZINC000306528639 360378067 /nfs/dbraw/zinc/37/80/67/360378067.db2.gz HJGALZPZJJMUQJ-UHFFFAOYSA-N 0 0 211.221 2.052 10 0 BEAERN Cc1ccc(F)cc1CN1CC(O)(C2CC2)C1 ZINC000097855169 360381615 /nfs/dbraw/zinc/38/16/15/360381615.db2.gz SMZSHMUUBQRZGR-UHFFFAOYSA-N 0 0 235.302 2.091 10 0 BEAERN O=C1CSC(CSc2ccccc2)=N1 ZINC000306530706 360393195 /nfs/dbraw/zinc/39/31/95/360393195.db2.gz DTOQOTQOAZXNQT-UHFFFAOYSA-N 0 0 223.322 2.451 10 0 BEAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@@]1(C)CCCS1 ZINC000306520908 360358605 /nfs/dbraw/zinc/35/86/05/360358605.db2.gz LUDOXYBMAANGDE-ATZCPNFKSA-N 0 0 213.346 2.043 10 0 BEAERN CC(C)n1nccc1[C@@H](O)C(F)(F)F ZINC000300749081 360436125 /nfs/dbraw/zinc/43/61/25/360436125.db2.gz JSZPOTCLFWMSBZ-SSDOTTSWSA-N 0 0 208.183 2.060 10 0 BEAERN CSC[C@H](C)c1nnc(Br)o1 ZINC000300747780 360436235 /nfs/dbraw/zinc/43/62/35/360436235.db2.gz DOCYDQJJIGIWEY-BYPYZUCNSA-N 0 0 237.122 2.299 10 0 BEAERN C[C@@H]1CSCC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000306566738 360446195 /nfs/dbraw/zinc/44/61/95/360446195.db2.gz YWZJTPXIUCZWDR-QWRGUYRKSA-N 0 0 227.373 2.183 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C ZINC000614143564 363733745 /nfs/dbraw/zinc/73/37/45/363733745.db2.gz NULGFNCBUIBUTM-OLZOCXBDSA-N 0 0 247.338 2.337 10 0 BEAERN Nc1nn(-c2ncccc2Cl)cc1Cl ZINC000069759914 360408012 /nfs/dbraw/zinc/40/80/12/360408012.db2.gz PIILYQOEGQNIPH-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN O[C@H](c1cc(F)cc(F)c1F)C(F)F ZINC000306570006 360449874 /nfs/dbraw/zinc/44/98/74/360449874.db2.gz XSGHMVRCANRPOP-SSDOTTSWSA-N 0 0 212.117 2.402 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)s1 ZINC000614146384 363734966 /nfs/dbraw/zinc/73/49/66/363734966.db2.gz ZOFTUWCPUXXZNW-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN CC[C@H](NC(=O)c1ccon1)c1nccs1 ZINC000130428463 360419766 /nfs/dbraw/zinc/41/97/66/360419766.db2.gz IFQJMTUIMVNOKK-ZETCQYMHSA-N 0 0 237.284 2.012 10 0 BEAERN Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C ZINC000029462583 360420214 /nfs/dbraw/zinc/42/02/14/360420214.db2.gz BSYBIDOMESHVSC-UHFFFAOYSA-N 0 0 239.278 2.008 10 0 BEAERN Cc1nc(N2CCSC[C@@H]2C)sc1C=O ZINC000069762136 360423739 /nfs/dbraw/zinc/42/37/39/360423739.db2.gz FHMZWSNDJXFWJW-ZETCQYMHSA-N 0 0 242.369 2.206 10 0 BEAERN Clc1ccc(OCc2cn[nH]c2)cn1 ZINC000306552873 360425568 /nfs/dbraw/zinc/42/55/68/360425568.db2.gz AXFZCNDOBQNMLH-UHFFFAOYSA-N 0 0 209.636 2.037 10 0 BEAERN CC1(CC(=O)c2ncccc2N)CCC1 ZINC000306553527 360426308 /nfs/dbraw/zinc/42/63/08/360426308.db2.gz BIVIGFPHRJDACU-UHFFFAOYSA-N 0 0 204.273 2.427 10 0 BEAERN COc1nccc(C(=O)[C@H]2C[C@H]2C)c1F ZINC000306556085 360430089 /nfs/dbraw/zinc/43/00/89/360430089.db2.gz MIAXGXRXRUHEIL-SVRRBLITSA-N 0 0 209.220 2.068 10 0 BEAERN C[C@@H]1C[C@@H](Nc2ncc(N)s2)CS1 ZINC000306578677 360468773 /nfs/dbraw/zinc/46/87/73/360468773.db2.gz MJFJQYKKSGNDKF-PHDIDXHHSA-N 0 0 215.347 2.031 10 0 BEAERN Cc1nc(CC(=O)c2ccns2)cs1 ZINC000306587021 360493250 /nfs/dbraw/zinc/49/32/50/360493250.db2.gz UOZYQTYAMLSJFI-UHFFFAOYSA-N 0 0 224.310 2.333 10 0 BEAERN Brc1ccn(CC[C@H]2CCOC2)n1 ZINC000306589080 360494394 /nfs/dbraw/zinc/49/43/94/360494394.db2.gz UCFRAGRTPMBSOH-QMMMGPOBSA-N 0 0 245.120 2.072 10 0 BEAERN C[C@H]1C[C@H]1NC(=S)Nc1ccsc1 ZINC000306574271 360463246 /nfs/dbraw/zinc/46/32/46/360463246.db2.gz RFPSVVZWESOBPG-POYBYMJQSA-N 0 0 212.343 2.443 10 0 BEAERN COc1csc([C@@H](O)c2ccns2)c1 ZINC000306575453 360465096 /nfs/dbraw/zinc/46/50/96/360465096.db2.gz JOBVETYEUCEJNO-VIFPVBQESA-N 0 0 227.310 2.295 10 0 BEAERN COc1csc([C@H](O)c2ccns2)c1 ZINC000306575452 360465182 /nfs/dbraw/zinc/46/51/82/360465182.db2.gz JOBVETYEUCEJNO-SECBINFHSA-N 0 0 227.310 2.295 10 0 BEAERN CC(C)NC(=S)N[C@@H](C)[C@@H]1CC1(C)C ZINC000306578105 360466249 /nfs/dbraw/zinc/46/62/49/360466249.db2.gz LUSXGAQISQHGQK-IUCAKERBSA-N 0 0 214.378 2.294 10 0 BEAERN C[C@@H]1CSC[C@H]1Nc1nc(Cl)ncc1F ZINC000306578157 360467361 /nfs/dbraw/zinc/46/73/61/360467361.db2.gz LVZNIEQIDGXTQF-IYSWYEEDSA-N 0 0 247.726 2.433 10 0 BEAERN Cn1ccnc1C(=O)[C@@H]1CCC(F)(F)C1 ZINC000300821759 360523196 /nfs/dbraw/zinc/52/31/96/360523196.db2.gz DIFSXAQCXYUPRL-SSDOTTSWSA-N 0 0 214.215 2.038 10 0 BEAERN CC(C)n1nccc1[C@H]1N[C@@H](C)CS1 ZINC000306600779 360527742 /nfs/dbraw/zinc/52/77/42/360527742.db2.gz UIMASNWQFCEQFD-WPRPVWTQSA-N 0 0 211.334 2.188 10 0 BEAERN O[C@H](C[C@H]1CCOC1)c1ccc(Cl)o1 ZINC000306591848 360511455 /nfs/dbraw/zinc/51/14/55/360511455.db2.gz VWXKWKJHFQPJJQ-HTQZYQBOSA-N 0 0 216.664 2.393 10 0 BEAERN CC(C)[C@](C)(CO)Nc1nsnc1Cl ZINC000306595062 360515147 /nfs/dbraw/zinc/51/51/47/360515147.db2.gz XRTQARULJQDKSY-QMMMGPOBSA-N 0 0 235.740 2.010 10 0 BEAERN CC(=O)NC(C)(C)c1ccc(C(F)(F)F)nc1 ZINC000095933552 219840399 /nfs/dbraw/zinc/84/03/99/219840399.db2.gz NIKYGRFRLRGITP-UHFFFAOYSA-N 0 0 246.232 2.472 10 0 BEAERN CN(Cc1ccccc1)c1cc(CO)ccn1 ZINC000040864275 360627320 /nfs/dbraw/zinc/62/73/20/360627320.db2.gz NTBCADCIBSTAKS-UHFFFAOYSA-N 0 0 228.295 2.210 10 0 BEAERN NC(=O)c1ccccc1Oc1cncc(Cl)n1 ZINC000038082174 181306426 /nfs/dbraw/zinc/30/64/26/181306426.db2.gz WSEZRHAOJDQZAX-UHFFFAOYSA-N 0 0 249.657 2.021 10 0 BEAERN NC(=O)c1ccccc1Oc1ccccc1N ZINC000019845889 181306784 /nfs/dbraw/zinc/30/67/84/181306784.db2.gz VLGCSOIQQXYODN-UHFFFAOYSA-N 0 0 228.251 2.160 10 0 BEAERN NC(=O)c1sc2nc3ccccc3cc2c1N ZINC000038765197 181315018 /nfs/dbraw/zinc/31/50/18/181315018.db2.gz ITSKABFKYNWBMC-UHFFFAOYSA-N 0 0 243.291 2.131 10 0 BEAERN NC(=S)CN1c2cccc3cccc(c23)C1=O ZINC000019475101 181316726 /nfs/dbraw/zinc/31/67/26/181316726.db2.gz NTDFLXYXYIQQET-UHFFFAOYSA-N 0 0 242.303 2.086 10 0 BEAERN NC(=S)CCOc1ccc(F)cc1F ZINC000019426747 181316031 /nfs/dbraw/zinc/31/60/31/181316031.db2.gz HYPAACYRJCRAPY-UHFFFAOYSA-N 0 0 217.240 2.020 10 0 BEAERN NC(=S)CCOc1ccc(Cl)cc1 ZINC000005592807 181316419 /nfs/dbraw/zinc/31/64/19/181316419.db2.gz VZCJLRNGANLWHI-UHFFFAOYSA-N 0 0 215.705 2.395 10 0 BEAERN NC(=S)Cc1cc(F)ccc1Br ZINC000019398554 181317481 /nfs/dbraw/zinc/31/74/81/181317481.db2.gz CVQPQWHGYXUSFL-UHFFFAOYSA-N 0 0 248.120 2.417 10 0 BEAERN COc1ccc(C)nc1OC(F)(F)F ZINC000238376250 360980335 /nfs/dbraw/zinc/98/03/35/360980335.db2.gz XMRGUPXDOPMJNB-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COC(=O)c1cc2c([nH]1)[nH]c1ccccc12 ZINC000238378177 360981260 /nfs/dbraw/zinc/98/12/60/360981260.db2.gz COBUSHIIMJPOIA-UHFFFAOYSA-N 0 0 214.224 2.436 10 0 BEAERN C[C@H]1CC(=O)c2cc(F)cc(F)c2[S@@]1=O ZINC000040973311 360982965 /nfs/dbraw/zinc/98/29/65/360982965.db2.gz HEULPHCTOYNEFF-SPHRHWQCSA-N 0 0 230.235 2.047 10 0 BEAERN COC(=O)c1ccc(C)nc1C(F)(F)F ZINC000238385527 360988740 /nfs/dbraw/zinc/98/87/40/360988740.db2.gz WZXKYKZVLFUWKV-UHFFFAOYSA-N 0 0 219.162 2.195 10 0 BEAERN NC(=S)c1ccccc1NC(=O)c1ccoc1 ZINC000019481061 181321270 /nfs/dbraw/zinc/32/12/70/181321270.db2.gz QCNOHGKTYINJFQ-UHFFFAOYSA-N 0 0 246.291 2.166 10 0 BEAERN NC(=S)c1cccnc1OC1CCCCC1 ZINC000019515461 181322009 /nfs/dbraw/zinc/32/20/09/181322009.db2.gz WPDYZQSYIADLKH-UHFFFAOYSA-N 0 0 236.340 2.427 10 0 BEAERN Cc1ccc(OC(F)(F)F)c(C=O)n1 ZINC000238462725 361086482 /nfs/dbraw/zinc/08/64/82/361086482.db2.gz AGLDLGQEICGSDQ-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN CCOC(=O)c1cocc1C(F)(F)F ZINC000036405042 361092564 /nfs/dbraw/zinc/09/25/64/361092564.db2.gz WIWXDXMUGMFHAI-UHFFFAOYSA-N 0 0 208.135 2.475 10 0 BEAERN Ic1ccccc1[C@@H]1CO1 ZINC000138691969 361101046 /nfs/dbraw/zinc/10/10/46/361101046.db2.gz CJBRWZJITKBTJT-QMMMGPOBSA-N 0 0 246.047 2.363 10 0 BEAERN Clc1ncnc2c(Br)nccc12 ZINC000238526368 361139559 /nfs/dbraw/zinc/13/95/59/361139559.db2.gz ISFOJKOJUMUAHZ-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN O=Cc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238545595 361147145 /nfs/dbraw/zinc/14/71/45/361147145.db2.gz IBCOZTBETLIWBO-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Fc1ccccc1-c1ncnc(Cl)n1 ZINC000238569507 361152659 /nfs/dbraw/zinc/15/26/59/361152659.db2.gz ZDTBAZZXLTVURJ-UHFFFAOYSA-N 0 0 209.611 2.331 10 0 BEAERN O=C1NCc2c1cc(Br)cc2Cl ZINC000238565485 361153520 /nfs/dbraw/zinc/15/35/20/361153520.db2.gz PJQKKVVUZQKOMR-UHFFFAOYSA-N 0 0 246.491 2.346 10 0 BEAERN Nc1cncc(OC(F)(F)F)c1Cl ZINC000238606851 361162405 /nfs/dbraw/zinc/16/24/05/361162405.db2.gz MAKHYXFJBVXLMC-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN CC[C@@H](NC(=O)COC(C)(C)C)C(C)C ZINC000158528208 361201595 /nfs/dbraw/zinc/20/15/95/361201595.db2.gz JZSJCESQIOQBOL-SNVBAGLBSA-N 0 0 215.337 2.352 10 0 BEAERN Cc1ncsc1-c1nnc(C(C)C)[nH]1 ZINC000041057131 361214695 /nfs/dbraw/zinc/21/46/95/361214695.db2.gz AOAPXJHOIKIMHJ-UHFFFAOYSA-N 0 0 208.290 2.360 10 0 BEAERN CCCc1nccn1-c1ccnc(Cl)n1 ZINC000069964310 361229616 /nfs/dbraw/zinc/22/96/16/361229616.db2.gz CODJBLFINLGPMJ-UHFFFAOYSA-N 0 0 222.679 2.268 10 0 BEAERN C[C@H](Nc1nncs1)c1ccccn1 ZINC000069965860 361237349 /nfs/dbraw/zinc/23/73/49/361237349.db2.gz QJDPKDLODCMODA-ZETCQYMHSA-N 0 0 206.274 2.106 10 0 BEAERN COCC(C)(C)c1nsc(Cl)n1 ZINC000306624899 361285119 /nfs/dbraw/zinc/28/51/19/361285119.db2.gz GDCFBILUSUSGQO-UHFFFAOYSA-N 0 0 206.698 2.116 10 0 BEAERN C[C@H]1C[C@@H](O)CN1Cc1csc(Cl)c1 ZINC000306628143 361298648 /nfs/dbraw/zinc/29/86/48/361298648.db2.gz JJADSGHYFRLAPI-IONNQARKSA-N 0 0 231.748 2.357 10 0 BEAERN CSCc1nnc(-c2ccccc2)[nH]1 ZINC000069985509 361320338 /nfs/dbraw/zinc/32/03/38/361320338.db2.gz DFNMGMDIIHCKCJ-UHFFFAOYSA-N 0 0 205.286 2.335 10 0 BEAERN CCc1nnc(CN[C@H](C)c2ccc(C)o2)[nH]1 ZINC000162457747 361352505 /nfs/dbraw/zinc/35/25/05/361352505.db2.gz SPWJNQNXPKGTFI-SECBINFHSA-N 0 0 234.303 2.119 10 0 BEAERN COc1c(Br)ccc(CO)c1F ZINC000306632398 361364720 /nfs/dbraw/zinc/36/47/20/361364720.db2.gz PDLQDDSTECDIRG-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2cscn2)C1 ZINC000309894960 491157891 /nfs/dbraw/zinc/15/78/91/491157891.db2.gz FMUYRRQMOFLWDQ-HBNTYKKESA-N 0 0 239.388 2.134 10 0 BEAERN Cc1c(CN[C@H]2CCCC2(F)F)cnn1C ZINC000309910390 491158029 /nfs/dbraw/zinc/15/80/29/491158029.db2.gz MJZSDWGBQKRYAW-JTQLQIEISA-N 0 0 229.274 2.006 10 0 BEAERN CCC(F)(F)CNC[C@@H](O)C(C)(C)C ZINC000629595870 361483318 /nfs/dbraw/zinc/48/33/18/361483318.db2.gz ZBDUKVGQZPHSME-MRVPVSSYSA-N 0 0 209.280 2.028 10 0 BEAERN CC1CCC(NC(=O)C(F)(F)F)CC1 ZINC000070233310 361489666 /nfs/dbraw/zinc/48/96/66/361489666.db2.gz FKFXBDCWVSHFMR-UHFFFAOYSA-N 0 0 209.211 2.244 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)C1CC(C)C1 ZINC000629637897 361525684 /nfs/dbraw/zinc/52/56/84/361525684.db2.gz FIHIQYJFIDNVSI-UHFFFAOYSA-N 0 0 227.348 2.042 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)[C@H]1CCC[C@H]1C ZINC000629635979 361525724 /nfs/dbraw/zinc/52/57/24/361525724.db2.gz NQOFXJYQSKUOGW-NEPJUHHUSA-N 0 0 241.375 2.432 10 0 BEAERN CSC1([C@@H](O)c2cccnc2)CCC1 ZINC000306637066 361527017 /nfs/dbraw/zinc/52/70/17/361527017.db2.gz BCYNZZLDYMIBOY-JTQLQIEISA-N 0 0 209.314 2.401 10 0 BEAERN COc1cccc(Cc2nc(Cl)n[nH]2)c1 ZINC000070584201 361574019 /nfs/dbraw/zinc/57/40/19/361574019.db2.gz WZHCNCZOAWEADI-UHFFFAOYSA-N 0 0 223.663 2.058 10 0 BEAERN Nc1nc(-c2ccc(Br)s2)no1 ZINC000070598021 361582471 /nfs/dbraw/zinc/58/24/71/361582471.db2.gz GIOHSXFZELHFEP-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Clc1nccn2c1nnc2[C@H]1CCCS1 ZINC000070616338 361632695 /nfs/dbraw/zinc/63/26/95/361632695.db2.gz DRLLHXMBZIBTNL-ZCFIWIBFSA-N 0 0 240.719 2.346 10 0 BEAERN CC[C@H](C)c1nnc2c(Cl)nccn21 ZINC000070616342 361632832 /nfs/dbraw/zinc/63/28/32/361632832.db2.gz NOKZZRVQCOTQJZ-LURJTMIESA-N 0 0 210.668 2.291 10 0 BEAERN CC[C@@H]1CN(c2ccc(C=O)s2)CCO1 ZINC000070609255 361613096 /nfs/dbraw/zinc/61/30/96/361613096.db2.gz XATIYRJEVSZSHT-SECBINFHSA-N 0 0 225.313 2.176 10 0 BEAERN CCOc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000038006428 361666118 /nfs/dbraw/zinc/66/61/18/361666118.db2.gz BCTGQKYDQXHCAU-UHFFFAOYSA-N 0 0 231.299 2.098 10 0 BEAERN CCc1nc(CN(C)[C@H]2CCC[C@@H]2O)cs1 ZINC000328416240 363887662 /nfs/dbraw/zinc/88/76/62/363887662.db2.gz XBPPRULCODPWFY-QWRGUYRKSA-N 0 0 240.372 2.051 10 0 BEAERN CC(C)=C(C)CCn1ccc(=O)c(N)c1 ZINC000718525742 541316679 /nfs/dbraw/zinc/31/66/79/541316679.db2.gz JFWNOSQXEMHGDJ-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN CCO[C@H](C)C(=O)N[C@H](CC)c1nccs1 ZINC000130676911 364022913 /nfs/dbraw/zinc/02/29/13/364022913.db2.gz CUNHMCMSDJPSDZ-RKDXNWHRSA-N 0 0 242.344 2.135 10 0 BEAERN CC(C)(C)c1cc(N)n(-c2cccc(O)c2)n1 ZINC000116100798 370732576 /nfs/dbraw/zinc/73/25/76/370732576.db2.gz KAABRGOOVGMZFB-UHFFFAOYSA-N 0 0 231.299 2.458 10 0 BEAERN NCC(F)(F)c1cccc(Br)c1 ZINC000095763997 181357132 /nfs/dbraw/zinc/35/71/32/181357132.db2.gz RPNKVLYXVHFSNO-UHFFFAOYSA-N 0 0 236.059 2.500 10 0 BEAERN Cc1cccc([C@@H](C[NH3+])C(=O)OC(C)(C)C)c1 ZINC000725264366 541337602 /nfs/dbraw/zinc/33/76/02/541337602.db2.gz IZYHMOXBDMRFMP-GFCCVEGCSA-N 0 0 235.327 2.379 10 0 BEAERN CCC(C)(C)[C@@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000725268687 541338597 /nfs/dbraw/zinc/33/85/97/541338597.db2.gz YIXJRVSOJXBPBZ-CHWSQXEVSA-N 0 0 234.343 2.403 10 0 BEAERN O=C1COc2c1cccc2OC(F)(F)F ZINC000116391867 370767405 /nfs/dbraw/zinc/76/74/05/370767405.db2.gz SFCXGNINZWBEJN-UHFFFAOYSA-N 0 0 218.130 2.160 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000170805625 364282793 /nfs/dbraw/zinc/28/27/93/364282793.db2.gz RDOYTDCIQZVNLU-VPOLOUISSA-N 0 0 210.321 2.273 10 0 BEAERN CCCc1nsc(N[C@H]2CCO[C@H]2C)n1 ZINC000134574700 364407046 /nfs/dbraw/zinc/40/70/46/364407046.db2.gz INJXSLQTRUKEPP-YUMQZZPRSA-N 0 0 227.333 2.080 10 0 BEAERN Cc1cnn(CC(=O)c2cccs2)c1 ZINC000037677572 364487042 /nfs/dbraw/zinc/48/70/42/364487042.db2.gz HPSMULPCTZIDFX-UHFFFAOYSA-N 0 0 206.270 2.136 10 0 BEAERN CC[C@H](O)CNc1cc(F)ccc1F ZINC000037688444 364517995 /nfs/dbraw/zinc/51/79/95/364517995.db2.gz BCXUZCNWSWAMJN-QMMMGPOBSA-N 0 0 201.216 2.148 10 0 BEAERN C[C@@H](O)CNc1cccc(Cl)c1F ZINC000037687850 364517016 /nfs/dbraw/zinc/51/70/16/364517016.db2.gz MDJVFMOCUVPOHN-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN O=C([O-])[C@H]1CC[C@@H](C2CCC(F)(F)CC2)C[NH2+]1 ZINC000675060483 541386681 /nfs/dbraw/zinc/38/66/81/541386681.db2.gz ZKDIEWRXHRCJGG-NXEZZACHSA-N 0 0 247.285 2.265 10 0 BEAERN CCc1nc2n(n1)[C@@H](C1CCCC1)CCN2 ZINC000234205684 541395576 /nfs/dbraw/zinc/39/55/76/541395576.db2.gz LDXPCBSBQQWXBV-SNVBAGLBSA-N 0 0 220.320 2.387 10 0 BEAERN CC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000148762773 541402667 /nfs/dbraw/zinc/40/26/67/541402667.db2.gz GUXURKSRCUGCCA-UWVGGRQHSA-N 0 0 227.304 2.269 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCC[C@@H](C(C)C)C2 ZINC000231019558 541415399 /nfs/dbraw/zinc/41/53/99/541415399.db2.gz CCKXHDJBYXNPNK-JFGNBEQYSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCC[C@@H](C(C)C)C2 ZINC000231019564 541415453 /nfs/dbraw/zinc/41/54/53/541415453.db2.gz CCKXHDJBYXNPNK-SCVCMEIPSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1coc(I)c1 ZINC000143027820 541420598 /nfs/dbraw/zinc/42/05/98/541420598.db2.gz KPNUSOVYBSUBNM-UHFFFAOYSA-N 0 0 207.998 2.193 10 0 BEAERN COC(=O)[C@@]1(Cl)OC12CCC(F)(F)CC2 ZINC000669384146 541437832 /nfs/dbraw/zinc/43/78/32/541437832.db2.gz OPKBULMVNFLSIK-SECBINFHSA-N 0 0 240.633 2.073 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC[C@@H](C)[C@H]2C ZINC000252128724 541445680 /nfs/dbraw/zinc/44/56/80/541445680.db2.gz KLDNXGCAPDJNML-LSKIRQOJSA-N 0 0 212.289 2.143 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000171468841 365075156 /nfs/dbraw/zinc/07/51/56/365075156.db2.gz QVDLPWKJZAZYES-VIFPVBQESA-N 0 0 232.283 2.389 10 0 BEAERN CC(C)c1nnc(CN2CCS[C@@H](C)C2)o1 ZINC000171686104 365226135 /nfs/dbraw/zinc/22/61/35/365226135.db2.gz MNSMKFDREQEGBS-VIFPVBQESA-N 0 0 241.360 2.130 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000171443674 365200153 /nfs/dbraw/zinc/20/01/53/365200153.db2.gz ZIWUNRUWKLBRCV-SSDOTTSWSA-N 0 0 247.747 2.300 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000171461083 365201569 /nfs/dbraw/zinc/20/15/69/365201569.db2.gz WOPBRMXFIACTCO-WOPDTQHZSA-N 0 0 227.348 2.211 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1ccncc1Cl ZINC000174872554 365519249 /nfs/dbraw/zinc/51/92/49/365519249.db2.gz BNAOTSQPZHGXJL-UWVGGRQHSA-N 0 0 240.734 2.344 10 0 BEAERN COC(=O)[C@@H]1COc2c1cc(Cl)cc2C ZINC000685951999 541497607 /nfs/dbraw/zinc/49/76/07/541497607.db2.gz OFWXGOUBDQXUFK-SECBINFHSA-N 0 0 226.659 2.297 10 0 BEAERN CCC[C@H](c1ccccc1)S(=O)(=O)NC ZINC000203786179 541502948 /nfs/dbraw/zinc/50/29/48/541502948.db2.gz YGKPYQNBBYNMDF-LLVKDONJSA-N 0 0 227.329 2.077 10 0 BEAERN CC(C)[C@@H]1CCNc2c3c(nn21)NCCC3 ZINC000232722146 541505939 /nfs/dbraw/zinc/50/59/39/541505939.db2.gz DDDMDSAQAUURSY-JTQLQIEISA-N 0 0 220.320 2.254 10 0 BEAERN CCc1cnn2c1NCC[C@H]2c1nccs1 ZINC000234190177 541510758 /nfs/dbraw/zinc/51/07/58/541510758.db2.gz AWWJROVNQKMMLZ-VIFPVBQESA-N 0 0 234.328 2.307 10 0 BEAERN CC(C)c1nc2n(n1)[C@H](C(F)F)CCN2 ZINC000232805997 541507854 /nfs/dbraw/zinc/50/78/54/541507854.db2.gz OGMDEJSYPHQDKY-LURJTMIESA-N 0 0 216.235 2.023 10 0 BEAERN CC(C)c1nc2n(n1)[C@@H]1CCC[C@@H]1CN2 ZINC000232796314 541507934 /nfs/dbraw/zinc/50/79/34/541507934.db2.gz UCVCQWWXYZGYPR-RKDXNWHRSA-N 0 0 206.293 2.168 10 0 BEAERN CCOC(=O)[C@H](CC)C(=O)[C@@H]1CC1(C)C ZINC000233689815 541508705 /nfs/dbraw/zinc/50/87/05/541508705.db2.gz FYYWUVMOMFNMHS-BDAKNGLRSA-N 0 0 212.289 2.191 10 0 BEAERN CC[C@@H]1CCCC[C@]12O[C@@]2(Cl)C(=O)OC ZINC000233909582 541509976 /nfs/dbraw/zinc/50/99/76/541509976.db2.gz MUFMKMLAROXLPA-MIMYLULJSA-N 0 0 232.707 2.464 10 0 BEAERN CC[C@@H]1CCC[C@@]2(C1)O[C@@]2(Cl)C(=O)OC ZINC000233927508 541510228 /nfs/dbraw/zinc/51/02/28/541510228.db2.gz UVFFBHCJHZTPLG-MIMYLULJSA-N 0 0 232.707 2.464 10 0 BEAERN C[C@@H]1C[C@H](C(=O)NCc2cc[nH]n2)CC(C)(C)C1 ZINC000183262274 367006692 /nfs/dbraw/zinc/00/66/92/367006692.db2.gz MUDMVDCYTDZQKA-MNOVXSKESA-N 0 0 249.358 2.488 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]1(C)CC(C)(C)C ZINC000384767414 541515454 /nfs/dbraw/zinc/51/54/54/541515454.db2.gz OTHXUXZNIOGOBL-QWRGUYRKSA-N 0 0 200.278 2.143 10 0 BEAERN CC[C@H](C)[C@H](CNC(=O)OC(C)C)OC ZINC000381191406 367361628 /nfs/dbraw/zinc/36/16/28/367361628.db2.gz KOWIAWWXQINWKP-UWVGGRQHSA-N 0 0 217.309 2.182 10 0 BEAERN C[C@@H](N(C)C(=O)[C@@H]1CCC[C@H]1C)C(C)(C)O ZINC000382814322 367560634 /nfs/dbraw/zinc/56/06/34/367560634.db2.gz RVCDBJXQOQLNOB-GMTAPVOTSA-N 0 0 227.348 2.040 10 0 BEAERN C[C@H](CC(C)(C)O)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000385255686 367813768 /nfs/dbraw/zinc/81/37/68/367813768.db2.gz XREKFHZULMGSFI-HBNTYKKESA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)c1nsc(N2CCC[C@H](O)[C@H]2C)n1 ZINC000385099953 367791082 /nfs/dbraw/zinc/79/10/82/367791082.db2.gz ZNHZUTQVZOKSGW-BDAKNGLRSA-N 0 0 241.360 2.011 10 0 BEAERN CCN(CC)C(=O)c1cc(Cl)nnc1Cl ZINC000081563665 370892939 /nfs/dbraw/zinc/89/29/39/370892939.db2.gz FTYNBPALSXJGMH-UHFFFAOYSA-N 0 0 248.113 2.265 10 0 BEAERN CC[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1CCC[C@@H]1C ZINC000385782827 367864666 /nfs/dbraw/zinc/86/46/66/367864666.db2.gz ZYRKDOVORKXBEW-WUHRBBMRSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[C@H](O)C(C)(C)C ZINC000252901761 368164137 /nfs/dbraw/zinc/16/41/37/368164137.db2.gz LNFKTTWUNFXRMN-QGKZMRNZSA-N 0 0 200.322 2.453 10 0 BEAERN O[C@@H]1CCCCCC[C@@H]1OCC(F)F ZINC000130745368 368140217 /nfs/dbraw/zinc/14/02/17/368140217.db2.gz XVNWRSNNXCTGRA-BDAKNGLRSA-N 0 0 208.248 2.352 10 0 BEAERN CCOC(=O)c1cccnc1-c1ccccn1 ZINC000036419561 368323561 /nfs/dbraw/zinc/32/35/61/368323561.db2.gz KUBAFUNYGWVTCM-UHFFFAOYSA-N 0 0 228.251 2.320 10 0 BEAERN COc1ccc(CCCCO)c([C@@H](C)O)c1 ZINC000224955301 368368083 /nfs/dbraw/zinc/36/80/83/368368083.db2.gz FZHDOEXUSFJQEY-SNVBAGLBSA-N 0 0 224.300 2.064 10 0 BEAERN CC(=O)Nc1ncccc1C(=O)c1ccccc1 ZINC000038218969 368325238 /nfs/dbraw/zinc/32/52/38/368325238.db2.gz APYGABOBENYGMN-UHFFFAOYSA-N 0 0 240.262 2.271 10 0 BEAERN Nc1cnc2n[nH]c(-c3ccc(F)cc3)c2c1 ZINC000076068154 368337594 /nfs/dbraw/zinc/33/75/94/368337594.db2.gz KVQRJBWSWJQZCX-UHFFFAOYSA-N 0 0 228.230 2.346 10 0 BEAERN CCCn1nc(C=O)c2ccc(OC)cc21 ZINC000114363271 368341944 /nfs/dbraw/zinc/34/19/44/368341944.db2.gz LUJUNNVZPCXXDG-UHFFFAOYSA-N 0 0 218.256 2.267 10 0 BEAERN O=C(OCc1ccccc1)[C@@H]1CCCC(=O)C1 ZINC000115977883 368342832 /nfs/dbraw/zinc/34/28/32/368342832.db2.gz CHIOEOLAODNQQH-GFCCVEGCSA-N 0 0 232.279 2.489 10 0 BEAERN CSc1nccc(Oc2ccc(N)c(N)c2)n1 ZINC000139056501 368346223 /nfs/dbraw/zinc/34/62/23/368346223.db2.gz PPWUCKRMGMQETG-UHFFFAOYSA-N 0 0 248.311 2.155 10 0 BEAERN COC(=O)C[C@H](c1ncco1)c1ccc(O)cc1 ZINC000143746052 368349378 /nfs/dbraw/zinc/34/93/78/368349378.db2.gz RSROMXMQWVWHSU-NSHDSACASA-N 0 0 247.250 2.075 10 0 BEAERN CCOc1cc(C=O)cc(OCC)c1OC ZINC000147380482 368351068 /nfs/dbraw/zinc/35/10/68/368351068.db2.gz XVVJUFMDJFIHBR-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN Cc1cccc(N2CCCC[C@H]2CO)c1 ZINC000165516241 368352313 /nfs/dbraw/zinc/35/23/13/368352313.db2.gz HXCZYJGWBISKTB-ZDUSSCGKSA-N 0 0 205.301 2.346 10 0 BEAERN C[C@@H]1OCC[C@]12S[C@H]1CCO[C@]1(C)S2 ZINC000212538847 368361008 /nfs/dbraw/zinc/36/10/08/368361008.db2.gz LGPJANFPSFABDB-AXTSPUMRSA-N 0 0 232.370 2.477 10 0 endogenous,in-man BEAERN CCCOc1cnc2c(Cl)nccc2n1 ZINC000223758346 368364131 /nfs/dbraw/zinc/36/41/31/368364131.db2.gz JILYPFIWSSVKFF-UHFFFAOYSA-N 0 0 223.663 2.467 10 0 BEAERN O=C1CCCc2cc3n[nH]cc3cc2C1 ZINC000223548538 368364159 /nfs/dbraw/zinc/36/41/59/368364159.db2.gz JOOOAQNZBBHADL-UHFFFAOYSA-N 0 0 200.241 2.011 10 0 BEAERN CCOc1cc(-c2cnn(C)c2)ccc1N ZINC000223699164 368364343 /nfs/dbraw/zinc/36/43/43/368364343.db2.gz MCHUYNWJQYDGQW-UHFFFAOYSA-N 0 0 217.272 2.068 10 0 BEAERN COc1cc(COC(C)(C)C)c(Cl)nn1 ZINC000223296821 368365048 /nfs/dbraw/zinc/36/50/48/368365048.db2.gz GOFPTRQXGSFAMT-UHFFFAOYSA-N 0 0 230.695 2.454 10 0 BEAERN Cc1cocc1I ZINC000196611465 368396794 /nfs/dbraw/zinc/39/67/94/368396794.db2.gz CKIDRBHDTSITDM-UHFFFAOYSA-N 0 0 207.998 2.193 10 0 BEAERN Cc1ccccc1Cc1ncccc1CO ZINC000034452391 368374320 /nfs/dbraw/zinc/37/43/20/368374320.db2.gz YJLXCUXHTGMSPW-UHFFFAOYSA-N 0 0 213.280 2.473 10 0 BEAERN C/C=C\C(=O)c1ccc(OC)c(OC)c1 ZINC000042394502 368408921 /nfs/dbraw/zinc/40/89/21/368408921.db2.gz JKVWYJSDOHFYLR-PLNGDYQASA-N 0 0 206.241 2.463 10 0 BEAERN C[C@H]1C(=O)CCN2c3ccccc3CC[C@@H]12 ZINC000000022614 368477912 /nfs/dbraw/zinc/47/79/12/368477912.db2.gz AZJQJBOXQUMXGS-PWSUYJOCSA-N 0 0 215.296 2.417 10 0 BEAERN CC[C@H](NC(=O)[C@@H](C)SC)C(C)C ZINC000057413693 368492307 /nfs/dbraw/zinc/49/23/07/368492307.db2.gz HJMCOEJXTPYFJC-BDAKNGLRSA-N 0 0 203.351 2.289 10 0 BEAERN CC[C@H](NC(=O)[C@H](C)SC)C(C)C ZINC000057413699 368492825 /nfs/dbraw/zinc/49/28/25/368492825.db2.gz HJMCOEJXTPYFJC-IUCAKERBSA-N 0 0 203.351 2.289 10 0 BEAERN O=C(CC1CCOCC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253195786 368612662 /nfs/dbraw/zinc/61/26/62/368612662.db2.gz RYUZWDYOLOOKCL-PJXYFTJBSA-N 0 0 208.301 2.418 10 0 BEAERN CCOC(=O)[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000002547667 368845943 /nfs/dbraw/zinc/84/59/43/368845943.db2.gz INJQUJBVLGASEQ-GFCCVEGCSA-N 0 0 242.702 2.197 10 0 BEAERN Cn1cc(Br)c(-c2ccncc2)n1 ZINC000084536006 368857104 /nfs/dbraw/zinc/85/71/04/368857104.db2.gz RCLROQHJHAAKTI-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN C[C@@H](NC(=O)c1ccccn1)C(C)(C)C ZINC000112251083 368869166 /nfs/dbraw/zinc/86/91/66/368869166.db2.gz SMYPIIMYSOYQAA-SECBINFHSA-N 0 0 206.289 2.246 10 0 BEAERN C[C@@H](NC(=O)N1CCOC(C)(C)C1)C(C)(C)C ZINC000112461894 368872233 /nfs/dbraw/zinc/87/22/33/368872233.db2.gz XZYFUAWZXIGYMC-SNVBAGLBSA-N 0 0 242.363 2.241 10 0 BEAERN C[C@@H](NC(=O)NCc1cccnc1)C(C)(C)C ZINC000112429781 368872553 /nfs/dbraw/zinc/87/25/53/368872553.db2.gz HDOXSEVXCVXOAC-SNVBAGLBSA-N 0 0 235.331 2.315 10 0 BEAERN CCO[C@@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000112585454 368873298 /nfs/dbraw/zinc/87/32/98/368873298.db2.gz HZUAOEUEDHLINF-PMDBQALLSA-N 0 0 233.311 2.241 10 0 BEAERN CCOC(=O)c1cc(=O)c2cccc(C)c2o1 ZINC000003608859 368874894 /nfs/dbraw/zinc/87/48/94/368874894.db2.gz HTBQNHVXXPOWAT-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN O=C1CC[C@@]2(c3ccc(F)cc3)OCCCN12 ZINC000003636652 368876071 /nfs/dbraw/zinc/87/60/71/368876071.db2.gz OYARXWWFTYDBCS-ZDUSSCGKSA-N 0 0 235.258 2.021 10 0 BEAERN COc1ccc(C2(O)CCC(=O)CC2)cc1 ZINC000084323300 368853975 /nfs/dbraw/zinc/85/39/75/368853975.db2.gz GETOMYJAUSLEJR-UHFFFAOYSA-N 0 0 220.268 2.026 10 0 BEAERN CN1CC[C@@H](c2ncc[nH]2)c2ccccc21 ZINC000114549223 368943419 /nfs/dbraw/zinc/94/34/19/368943419.db2.gz LEVUENQXPLELPH-LLVKDONJSA-N 0 0 213.284 2.382 10 0 BEAERN CC(=O)O[C@H]1C[C@H](C)CC[C@H]1C(=O)Cl ZINC000114880808 368956292 /nfs/dbraw/zinc/95/62/92/368956292.db2.gz FABPASRXDSSEPV-VDAHYXPESA-N 0 0 218.680 2.120 10 0 BEAERN O=C([O-])C1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090978023 369002813 /nfs/dbraw/zinc/00/28/13/369002813.db2.gz OGWHASHZQISDLF-ZDUSSCGKSA-N 0 0 245.322 2.123 10 0 BEAERN Fc1ccc(-c2nc(-c3cncnc3)no2)cc1 ZINC000116130258 369022175 /nfs/dbraw/zinc/02/21/75/369022175.db2.gz MMIAFCROZZBCJZ-UHFFFAOYSA-N 0 0 242.213 2.333 10 0 BEAERN Cc1ccc(O)c(N)c1Br ZINC000215097567 369048638 /nfs/dbraw/zinc/04/86/38/369048638.db2.gz SZUBIYWGIUFETQ-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN CCNc1nccc(-c2c[nH]c3ncccc23)n1 ZINC000136676314 368987063 /nfs/dbraw/zinc/98/70/63/368987063.db2.gz LNGLHLIVBFLGLK-UHFFFAOYSA-N 0 0 239.282 2.452 10 0 BEAERN C=C/C=C/CNS(=O)(=O)c1ccc(C)cc1 ZINC000137092526 368989479 /nfs/dbraw/zinc/98/94/79/368989479.db2.gz ADHAVBOWVBWKMZ-SNAWJCMRSA-N 0 0 237.324 2.016 10 0 BEAERN C[C@H](CO)SCCC(=O)c1ccccc1 ZINC000130805072 369086636 /nfs/dbraw/zinc/08/66/36/369086636.db2.gz HASZJTYCPUELBP-SNVBAGLBSA-N 0 0 224.325 2.373 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1c1ccon1 ZINC000616693510 369115359 /nfs/dbraw/zinc/11/53/59/369115359.db2.gz YREIGYOWXCPMEQ-CQSZACIVSA-N 0 0 242.278 2.169 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1c1cnco1 ZINC000616693360 369115401 /nfs/dbraw/zinc/11/54/01/369115401.db2.gz YMLAKRLUAHBLOC-CQSZACIVSA-N 0 0 242.278 2.169 10 0 BEAERN Cc1nc([C@@H](N)c2cncs2)sc1C ZINC000161499859 369121455 /nfs/dbraw/zinc/12/14/55/369121455.db2.gz LXLPAJUOTQBLMY-QMMMGPOBSA-N 0 0 225.342 2.265 10 0 BEAERN Clc1cc([C@@H]2CO2)cc2c1OCCO2 ZINC000055026962 369122438 /nfs/dbraw/zinc/12/24/38/369122438.db2.gz XVDXZRJXOSFNOX-VIFPVBQESA-N 0 0 212.632 2.183 10 0 BEAERN CN(c1ncc(C=O)s1)C1CCCC1 ZINC000054861892 369106305 /nfs/dbraw/zinc/10/63/05/369106305.db2.gz MJYXWNDKXUZFJK-UHFFFAOYSA-N 0 0 210.302 2.334 10 0 BEAERN CCC[C@@H]1SCCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000155061103 326182708 /nfs/dbraw/zinc/18/27/08/326182708.db2.gz LPBQXDRAPZSGBT-AXFHLTTASA-N 0 0 243.372 2.256 10 0 BEAERN COc1cccc([C@@H]2CN(C(C)=O)CCCO2)c1 ZINC000616678048 369110291 /nfs/dbraw/zinc/11/02/91/369110291.db2.gz DRIQHJZWPAWHLB-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1cnno1 ZINC000616691431 369113327 /nfs/dbraw/zinc/11/33/27/369113327.db2.gz KVGJLBXIVMXAAD-LLVKDONJSA-N 0 0 230.271 2.063 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@H]1F ZINC000616691601 369113769 /nfs/dbraw/zinc/11/37/69/369113769.db2.gz NQMJFPPRKZNDQB-JTQLQIEISA-N 0 0 224.235 2.371 10 0 BEAERN CSC[C@H](O)c1ccc(F)cc1F ZINC000055238767 369156921 /nfs/dbraw/zinc/15/69/21/369156921.db2.gz VAGYILGXSQGMHM-VIFPVBQESA-N 0 0 204.241 2.361 10 0 BEAERN Cc1nc(Cc2nccc(Cl)n2)cs1 ZINC000055273717 369170770 /nfs/dbraw/zinc/17/07/70/369170770.db2.gz LIZBGNLOIAFLMJ-UHFFFAOYSA-N 0 0 225.704 2.486 10 0 BEAERN COc1cc(C)c(I)cn1 ZINC000148377560 259537379 /nfs/dbraw/zinc/53/73/79/259537379.db2.gz CPRBEQOMYWKCCN-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN Cc1ccc(-c2nn(C)cc2N)c(C)c1 ZINC000106879717 369210300 /nfs/dbraw/zinc/21/03/00/369210300.db2.gz IIEOOOHVGKMLRQ-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CSC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000400121753 369343038 /nfs/dbraw/zinc/34/30/38/369343038.db2.gz NFAMPSJFXGQELK-WRWGMCAJSA-N 0 0 239.384 2.387 10 0 BEAERN Cc1nc(N)nc(-c2ccc(F)cc2)c1C ZINC000200001649 369348232 /nfs/dbraw/zinc/34/82/32/369348232.db2.gz TWKKOZIKIPZHRG-UHFFFAOYSA-N 0 0 217.247 2.482 10 0 BEAERN Nc1cc2c(c(Cl)c1)C(=O)N(C1CC1)C2 ZINC000230451179 369441036 /nfs/dbraw/zinc/44/10/36/369441036.db2.gz ZROXKMCWQSGAFU-UHFFFAOYSA-N 0 0 222.675 2.040 10 0 BEAERN C[C@@H]1C[C@H](c2nnc(Br)s2)CO1 ZINC000161679770 370961045 /nfs/dbraw/zinc/96/10/45/370961045.db2.gz UGLHOUBUIVWXNA-UHNVWZDZSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@H]1C[C@H](c2nnc(Cl)s2)CO1 ZINC000161679236 370961085 /nfs/dbraw/zinc/96/10/85/370961085.db2.gz IQQKMGBPDAVBRR-WHFBIAKZSA-N 0 0 204.682 2.084 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC000250922890 369621160 /nfs/dbraw/zinc/62/11/60/369621160.db2.gz PZFLQXDXBBIJPU-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN Clc1nnc2cc[nH]c(Br)c1-2 ZINC000514253587 369712045 /nfs/dbraw/zinc/71/20/45/369712045.db2.gz DQSVOTLLLZBWQR-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C ZINC000251791362 369969797 /nfs/dbraw/zinc/96/97/97/369969797.db2.gz NKVLTHWVFSITAP-NMZKHRHQSA-N 0 0 207.317 2.147 10 0 BEAERN Cc1nc(C[C@@H](O)c2nccs2)cs1 ZINC000161527709 370002363 /nfs/dbraw/zinc/00/23/63/370002363.db2.gz JZOWNGMJSHDDRS-MRVPVSSYSA-N 0 0 226.326 2.184 10 0 BEAERN O=C(CC1CCCCCC1)NC1CC(CO)C1 ZINC000620883917 370040273 /nfs/dbraw/zinc/04/02/73/370040273.db2.gz QHZSQVORNGMZGK-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN CCOc1ccc2cc(CO)cnc2c1 ZINC000205602906 369981843 /nfs/dbraw/zinc/98/18/43/369981843.db2.gz CCEVCUWXYQEVBX-UHFFFAOYSA-N 0 0 203.241 2.126 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1nccs1 ZINC000130894980 370073665 /nfs/dbraw/zinc/07/36/65/370073665.db2.gz GECKQHZSNDWBDF-YIZRAAEISA-N 0 0 224.329 2.366 10 0 BEAERN O=C(Nc1cnoc1)c1ccc2[nH]ccc2c1 ZINC000111277153 370120776 /nfs/dbraw/zinc/12/07/76/370120776.db2.gz APDCKPSFIGFQAQ-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1cncc(Cl)c1 ZINC000621302374 370231762 /nfs/dbraw/zinc/23/17/62/370231762.db2.gz AVTYQJMSQVQNAY-JOYOIKCWSA-N 0 0 240.734 2.080 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1ccccc1F ZINC000075982698 370197321 /nfs/dbraw/zinc/19/73/21/370197321.db2.gz FIWJKECCVZTKBS-CABZTGNLSA-N 0 0 236.290 2.376 10 0 BEAERN CC(C)c1nccnc1N1CC[C@H](C)[C@H](CO)C1 ZINC000621349845 370284751 /nfs/dbraw/zinc/28/47/51/370284751.db2.gz VAJXKURPPSSFLH-RYUDHWBXSA-N 0 0 249.358 2.055 10 0 BEAERN N#Cc1cc([N+](=O)[O-])cc(Br)c1F ZINC000114333696 370553682 /nfs/dbraw/zinc/55/36/82/370553682.db2.gz BWPPPVZYKMSWJW-UHFFFAOYSA-N 0 0 245.007 2.368 10 0 BEAERN CC[C@]1(C)N(O)C(C)(C)C(c2ccccc2)=[N+]1[O-] ZINC000225399475 370527646 /nfs/dbraw/zinc/52/76/46/370527646.db2.gz SZHGOOBWVGXSFK-AWEZNQCLSA-N 0 0 249.334 2.487 10 0 BEAERN CNC(=O)c1cccc(-c2cnc(Cl)o2)c1 ZINC000208747958 370570498 /nfs/dbraw/zinc/57/04/98/370570498.db2.gz DNFKKAXZLZVZEZ-UHFFFAOYSA-N 0 0 236.658 2.355 10 0 BEAERN Cc1cc(-c2nc(Br)no2)co1 ZINC000161626683 370630061 /nfs/dbraw/zinc/63/00/61/370630061.db2.gz IGDDEEHGKYFKRG-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN Cc1cccc(CNC(=O)N2CCCCCC2)n1 ZINC000123847466 371115213 /nfs/dbraw/zinc/11/52/13/371115213.db2.gz KWGNJLUARQGSHS-UHFFFAOYSA-N 0 0 247.342 2.476 10 0 BEAERN C[Si](C)(C)C#CC(=O)c1ccccc1N ZINC000389609419 371149539 /nfs/dbraw/zinc/14/95/39/371149539.db2.gz ANBISEGSGQCURU-UHFFFAOYSA-N 0 0 217.344 2.332 10 0 BEAERN NNc1ccc(/C=C/c2ccc(NN)cc2)cc1 ZINC000082305949 181519105 /nfs/dbraw/zinc/51/91/05/181519105.db2.gz RUCQQNOXMZKBHJ-OWOJBTEDSA-N 0 0 240.310 2.428 10 0 BEAERN NNc1ccc(CCc2cccnc2)cc1 ZINC000196791093 181519371 /nfs/dbraw/zinc/51/93/71/181519371.db2.gz PKDRKMKBKBMDQW-UHFFFAOYSA-N 0 0 213.284 2.152 10 0 BEAERN NOCCc1ccccc1C(F)(F)F ZINC000042750221 181523795 /nfs/dbraw/zinc/52/37/95/181523795.db2.gz CUFUTXGHGVBGJO-UHFFFAOYSA-N 0 0 205.179 2.138 10 0 BEAERN CCC(CC)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000164078919 326409085 /nfs/dbraw/zinc/40/90/85/326409085.db2.gz JMECXZHUEFAYDB-GHMZBOCLSA-N 0 0 227.348 2.449 10 0 BEAERN CCCCN(CC)c1ccc(C(N)=S)cn1 ZINC000019805674 168803800 /nfs/dbraw/zinc/80/38/00/168803800.db2.gz PUJAXPADVFQMRL-UHFFFAOYSA-N 0 0 237.372 2.342 10 0 BEAERN Nc1c(Cl)cc2c(c1Cl)NCCO2 ZINC000062527096 181668239 /nfs/dbraw/zinc/66/82/39/181668239.db2.gz UDUMHXYCVRBNFE-UHFFFAOYSA-N 0 0 219.071 2.380 10 0 BEAERN Nc1c(F)cccc1NC[C@@H]1CCCOC1 ZINC000044981931 181669256 /nfs/dbraw/zinc/66/92/56/181669256.db2.gz HVOHJVCOOFKECA-VIFPVBQESA-N 0 0 224.279 2.246 10 0 BEAERN Nc1cc(F)c(NCC2CCOCC2)c(F)c1 ZINC000104192520 181685543 /nfs/dbraw/zinc/68/55/43/181685543.db2.gz TUSVBGAUBZSJKL-UHFFFAOYSA-N 0 0 242.269 2.386 10 0 BEAERN Nc1cc(F)ccc1NC(=O)c1ccncc1 ZINC000020344207 181686988 /nfs/dbraw/zinc/68/69/88/181686988.db2.gz OMDOKWCYPOJMGY-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN Nc1cc(F)ccc1NC1(CO)CCCC1 ZINC000053045121 181687230 /nfs/dbraw/zinc/68/72/30/181687230.db2.gz XGULFNBWULFGBC-UHFFFAOYSA-N 0 0 224.279 2.125 10 0 BEAERN Nc1cc2c(cc1NC1CCCC1)NC(=O)C2 ZINC000035345192 181692562 /nfs/dbraw/zinc/69/25/62/181692562.db2.gz QRIYLXSCMICXGG-UHFFFAOYSA-N 0 0 231.299 2.118 10 0 BEAERN Nc1ccc(-c2nc3cccnc3s2)cn1 ZINC000075878159 181696182 /nfs/dbraw/zinc/69/61/82/181696182.db2.gz HVYBVJBLNDRVGK-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Nc1ccc(-c2nnco2)c(Br)c1 ZINC000062152475 181697440 /nfs/dbraw/zinc/69/74/40/181697440.db2.gz MNWZFHPOPYEKJO-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CSCCCCNC(=O)C1CCCC1 ZINC000125808437 371410912 /nfs/dbraw/zinc/41/09/12/371410912.db2.gz KZIKBIGGSKYXIH-UHFFFAOYSA-N 0 0 215.362 2.436 10 0 BEAERN Nc1ccc(C(=O)Oc2ccccc2)cc1N ZINC000095933658 181703253 /nfs/dbraw/zinc/70/32/53/181703253.db2.gz PRHCPIGZWZUJAR-UHFFFAOYSA-N 0 0 228.251 2.070 10 0 BEAERN Nc1ccc2c(c1)N(Cc1ccncc1)CC2 ZINC000019875156 181730854 /nfs/dbraw/zinc/73/08/54/181730854.db2.gz QBSYQBNVPONPRP-UHFFFAOYSA-N 0 0 225.295 2.227 10 0 BEAERN Nc1cccc(Cl)c1OC[C@H]1CCOC1 ZINC000049688367 181744566 /nfs/dbraw/zinc/74/45/66/181744566.db2.gz DAYGKCNYJFZHTC-QMMMGPOBSA-N 0 0 227.691 2.338 10 0 BEAERN Nc1cccc(Cl)c1S[C@@H]1CCOC1=O ZINC000037204292 181744901 /nfs/dbraw/zinc/74/49/01/181744901.db2.gz QLZJSVYZWHEFET-MRVPVSSYSA-N 0 0 243.715 2.330 10 0 BEAERN Nc1cccc(N2CCCSCC2)c1 ZINC000042443708 181745679 /nfs/dbraw/zinc/74/56/79/181745679.db2.gz XIYZUMXKGHBNMF-UHFFFAOYSA-N 0 0 208.330 2.212 10 0 BEAERN CC(=O)NCc1nc(-c2ccccc2)oc1C ZINC000021634487 371461861 /nfs/dbraw/zinc/46/18/61/371461861.db2.gz VQEHNTOREBTPBC-UHFFFAOYSA-N 0 0 230.267 2.286 10 0 BEAERN Nc1ccc(O[C@@H]2CCOC2)cc1C(F)(F)F ZINC000104146968 181722622 /nfs/dbraw/zinc/72/26/22/181722622.db2.gz SWMRRERGQIZHEY-MRVPVSSYSA-N 0 0 247.216 2.455 10 0 BEAERN C[C@H]1Sc2cc(F)cc(F)c2NC1=O ZINC000161730855 371556341 /nfs/dbraw/zinc/55/63/41/371556341.db2.gz FCULQEITAVZTQK-SCSAIBSYSA-N 0 0 215.224 2.398 10 0 BEAERN Nc1cnc(Nc2ccc(Cl)cc2)nc1 ZINC000040455507 181768723 /nfs/dbraw/zinc/76/87/23/181768723.db2.gz UZXCIHAKRSSSAN-UHFFFAOYSA-N 0 0 220.663 2.456 10 0 BEAERN Nc1cncc(-c2ccc(Cl)cn2)c1 ZINC000091366407 181769644 /nfs/dbraw/zinc/76/96/44/181769644.db2.gz LTOFHXHMKOBSDL-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cccc2c1CN(c1nccs1)C2 ZINC000011730945 181749879 /nfs/dbraw/zinc/74/98/79/181749879.db2.gz SQZYHRHJPZSHFW-UHFFFAOYSA-N 0 0 217.297 2.246 10 0 BEAERN Nc1cccc2cnn(OCc3ccccc3)c21 ZINC000089200802 181750379 /nfs/dbraw/zinc/75/03/79/181750379.db2.gz RNUZJWJJBOBIHB-UHFFFAOYSA-N 0 0 239.278 2.247 10 0 BEAERN Nc1ccccc1CN(C(=O)C1CC1)C1CC1 ZINC000035366393 181754855 /nfs/dbraw/zinc/75/48/55/181754855.db2.gz LFZBKUBOERKLGJ-UHFFFAOYSA-N 0 0 230.311 2.170 10 0 BEAERN Cc1nc([C@H]2NCCCS2)cs1 ZINC000126787563 371550669 /nfs/dbraw/zinc/55/06/69/371550669.db2.gz HQLVWWPUDCEWRL-QMMMGPOBSA-N 0 0 200.332 2.177 10 0 BEAERN O[C@@H](c1cccs1)c1ncccc1F ZINC000131198652 371569137 /nfs/dbraw/zinc/56/91/37/371569137.db2.gz YYIZZFPFCYPVQD-JTQLQIEISA-N 0 0 209.245 2.364 10 0 BEAERN C[C@@H]1CCN(C2N=NC(=S)S2)[C@@H](C)C1 ZINC000225764221 371575815 /nfs/dbraw/zinc/57/58/15/371575815.db2.gz UQOUCGURWQJDNV-RQJHMYQMSA-N 0 0 229.374 2.452 10 0 BEAERN CON[C@H]1COc2c1cc(Cl)cc2C ZINC000131290657 371580790 /nfs/dbraw/zinc/58/07/90/371580790.db2.gz CCHCXRSXSUBNDL-VIFPVBQESA-N 0 0 213.664 2.233 10 0 BEAERN CON[C@@H]1COc2c1cc(Cl)cc2C ZINC000131290869 371582068 /nfs/dbraw/zinc/58/20/68/371582068.db2.gz CCHCXRSXSUBNDL-SECBINFHSA-N 0 0 213.664 2.233 10 0 BEAERN Nc1nc(-c2ncccc2C(F)(F)F)ns1 ZINC000067173746 181778422 /nfs/dbraw/zinc/77/84/22/181778422.db2.gz GMHHOFHFHVNTMO-UHFFFAOYSA-N 0 0 246.217 2.201 10 0 BEAERN CC[C@@]1(C(=O)[O-])CCC[N@@H+]1C1CCCC1 ZINC000215633178 371602840 /nfs/dbraw/zinc/60/28/40/371602840.db2.gz QKGRVAIYRPUCDY-LBPRGKRZSA-N 0 0 211.305 2.258 10 0 BEAERN [NH3+][C@H](CC(=O)[O-])c1cc2ccccc2s1 ZINC000002586074 371605958 /nfs/dbraw/zinc/60/59/58/371605958.db2.gz SFXQAYKEBIXYFO-MRVPVSSYSA-N 0 0 221.281 2.376 10 0 BEAERN O=C([O-])[C@]1(Cc2ccc(Cl)s2)CCC[NH2+]1 ZINC000215657369 371608839 /nfs/dbraw/zinc/60/88/39/371608839.db2.gz LHZKGULFORBRHW-SNVBAGLBSA-N 0 0 245.731 2.151 10 0 BEAERN C[C@H]1C[C@@H](C(=O)Cc2cccs2)CO1 ZINC000162112167 371612360 /nfs/dbraw/zinc/61/23/60/371612360.db2.gz RGHHAEPRXMDEAR-DTWKUNHWSA-N 0 0 210.298 2.285 10 0 BEAERN Nc1n[nH]c(C2CCC2)c1-c1ccccn1 ZINC000077306424 181772760 /nfs/dbraw/zinc/77/27/60/181772760.db2.gz JVPVEVCVDHRBFG-UHFFFAOYSA-N 0 0 214.272 2.321 10 0 BEAERN Nc1nc(CC(=O)c2ccsc2)cs1 ZINC000226419939 371664295 /nfs/dbraw/zinc/66/42/95/371664295.db2.gz QXEVOGCXXWGTPY-UHFFFAOYSA-N 0 0 224.310 2.212 10 0 BEAERN C[C@H](C(=O)Nc1cncc(Cl)n1)C1CC1 ZINC000162214165 371630789 /nfs/dbraw/zinc/63/07/89/371630789.db2.gz DRPVLVAKGONTOY-LURJTMIESA-N 0 0 225.679 2.115 10 0 BEAERN Nc1nc(CSC2CCOCC2)cs1 ZINC000062053705 181782066 /nfs/dbraw/zinc/78/20/66/181782066.db2.gz DBFIFRUMXPYOGM-UHFFFAOYSA-N 0 0 230.358 2.138 10 0 BEAERN Nc1nc(C[C@@H](O)c2ccccc2)cs1 ZINC000051966517 181782849 /nfs/dbraw/zinc/78/28/49/181782849.db2.gz ZBAWRZIVCCKBQO-SNVBAGLBSA-N 0 0 220.297 2.001 10 0 BEAERN Nc1nc(Cl)nc(Cl)c1Br ZINC000035576753 181783786 /nfs/dbraw/zinc/78/37/86/181783786.db2.gz XBTHOTVRUMBOMO-UHFFFAOYSA-N 0 0 242.891 2.128 10 0 BEAERN Cc1c(Br)ccc(F)c1CO ZINC000216015928 371679639 /nfs/dbraw/zinc/67/96/39/371679639.db2.gz BQBVSNSQZMXKKM-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN COc1ccc(C(F)(F)F)c(O)c1OC ZINC000215933997 371660102 /nfs/dbraw/zinc/66/01/02/371660102.db2.gz HFYDTEMCHIHIGN-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN C[C@H](CO)Sc1ccc(Cl)cc1N ZINC000162331510 371660314 /nfs/dbraw/zinc/66/03/14/371660314.db2.gz VURGUEAOFAEREE-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN Cc1nn(-c2ncc(N)s2)c(C)c1Cl ZINC000226754380 371738697 /nfs/dbraw/zinc/73/86/97/371738697.db2.gz YGYNBXSMYSECPC-UHFFFAOYSA-N 0 0 228.708 2.181 10 0 BEAERN Cc1sc(-c2ccc(F)cn2)nc1N ZINC000131899455 371707702 /nfs/dbraw/zinc/70/77/02/371707702.db2.gz BLBFUIDWMSFRGP-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN C[C@@](O)(Cc1ccc(F)cc1)C(F)F ZINC000162616824 371728300 /nfs/dbraw/zinc/72/83/00/371728300.db2.gz RHZTZIBWYLBNQW-SNVBAGLBSA-N 0 0 204.191 2.384 10 0 BEAERN C[C@H](Nc1ncc(N)s1)c1ccco1 ZINC000226729252 371730078 /nfs/dbraw/zinc/73/00/78/371730078.db2.gz NRRXGIPANUKBBK-LURJTMIESA-N 0 0 209.274 2.491 10 0 BEAERN Nc1cnc(NC[C@H]2CCCCS2)s1 ZINC000226748502 371735494 /nfs/dbraw/zinc/73/54/94/371735494.db2.gz QQGZIKQXKDUYSH-SSDOTTSWSA-N 0 0 229.374 2.423 10 0 BEAERN Cc1cccc(-c2nnc(N)s2)c1F ZINC000131998217 371736759 /nfs/dbraw/zinc/73/67/59/371736759.db2.gz IHBXNIPIBRRCTH-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Cc1c(C)c(S[C@H](C)CO)nnc1Cl ZINC000162489403 371696640 /nfs/dbraw/zinc/69/66/40/371696640.db2.gz FKQCBRCXOXRLKA-RXMQYKEDSA-N 0 0 232.736 2.220 10 0 BEAERN C[C@H](CO)Sc1cccc(Cl)n1 ZINC000162482194 371697224 /nfs/dbraw/zinc/69/72/24/371697224.db2.gz COCKWLSNWJNYBA-ZCFIWIBFSA-N 0 0 203.694 2.208 10 0 BEAERN Brc1cnn(Cc2ccoc2)c1 ZINC000131855542 371698756 /nfs/dbraw/zinc/69/87/56/371698756.db2.gz RYAJUOFOCTYIMB-UHFFFAOYSA-N 0 0 227.061 2.287 10 0 BEAERN C[C@@H](CCO)Nc1ccc(Cl)cc1N ZINC000132307369 371791482 /nfs/dbraw/zinc/79/14/82/371791482.db2.gz DOQPKQDXRRGAHH-ZETCQYMHSA-N 0 0 214.696 2.105 10 0 BEAERN ONCc1ccc(Br)cc1F ZINC000132149617 371757483 /nfs/dbraw/zinc/75/74/83/371757483.db2.gz IHIYOPKVKCMXLX-UHFFFAOYSA-N 0 0 220.041 2.067 10 0 BEAERN C[C@H](CCO)Nc1cc(Cl)ccc1N ZINC000132323062 371792185 /nfs/dbraw/zinc/79/21/85/371792185.db2.gz KUWPPYHGNRRMNM-SSDOTTSWSA-N 0 0 214.696 2.105 10 0 BEAERN CC(C)c1nc2c(s1)CC1(CC2)OCCO1 ZINC000304283798 371773596 /nfs/dbraw/zinc/77/35/96/371773596.db2.gz FSQRPJAVHMDKIH-UHFFFAOYSA-N 0 0 239.340 2.498 10 0 BEAERN Nc1nnc(-c2ccc(F)cc2Cl)o1 ZINC000019391597 181811960 /nfs/dbraw/zinc/81/19/60/181811960.db2.gz KZTGYLSXZAGISF-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN Nc1nnc(-c2ccc3ccccc3n2)s1 ZINC000019874343 181812200 /nfs/dbraw/zinc/81/22/00/181812200.db2.gz UTWADPGAMRHGME-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Nc1nnc(-c2cccc(OC(F)F)c2)s1 ZINC000034957523 181813048 /nfs/dbraw/zinc/81/30/48/181813048.db2.gz ADSJPCSTSRYXCO-UHFFFAOYSA-N 0 0 243.238 2.389 10 0 BEAERN Nc1onc(-c2ccccn2)c1-c1ccccn1 ZINC000077383641 181819323 /nfs/dbraw/zinc/81/93/23/181819323.db2.gz LVMAFJIGWBOEET-UHFFFAOYSA-N 0 0 238.250 2.381 10 0 BEAERN C[C@@H]1OCC[C@H]1c1nc(Br)ns1 ZINC000230109251 371850946 /nfs/dbraw/zinc/85/09/46/371850946.db2.gz NEZUJTMNIXVJGU-CRCLSJGQSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@H]1C[C@@H](c2nc(Cl)ns2)CO1 ZINC000230113798 371853835 /nfs/dbraw/zinc/85/38/35/371853835.db2.gz FWYODXAPRVJVQP-CRCLSJGQSA-N 0 0 204.682 2.084 10 0 BEAERN Clc1nsc([C@@H]2CCCCO2)n1 ZINC000230113253 371854107 /nfs/dbraw/zinc/85/41/07/371854107.db2.gz IOGPKQXEOPNTMX-YFKPBYRVSA-N 0 0 204.682 2.433 10 0 BEAERN Clc1nccc(N[C@@H]2CCSC2)n1 ZINC000230148489 371861199 /nfs/dbraw/zinc/86/11/99/371861199.db2.gz MYOKYOQYRSCRBU-ZCFIWIBFSA-N 0 0 215.709 2.047 10 0 BEAERN Cc1nn(C)cc1C(=O)Cc1ccsc1 ZINC000227442418 371864265 /nfs/dbraw/zinc/86/42/65/371864265.db2.gz UOEAZVJJAUPZET-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN C[C@H]1C[C@H](C)N(C(=O)C(C)(C)Br)C1 ZINC000162880061 371873554 /nfs/dbraw/zinc/87/35/54/371873554.db2.gz MVSUFLSGNKBHCP-YUMQZZPRSA-N 0 0 248.164 2.417 10 0 BEAERN O=C(Nc1ccccc1)[C@H]1CCCCC1=O ZINC000003108051 371875612 /nfs/dbraw/zinc/87/56/12/371875612.db2.gz BPYPYRDPROZQAI-NSHDSACASA-N 0 0 217.268 2.384 10 0 BEAERN COc1ccc(C(N)=S)c(Br)c1 ZINC000230278149 371882761 /nfs/dbraw/zinc/88/27/61/371882761.db2.gz UBYKXAOLVDSLFH-UHFFFAOYSA-N 0 0 246.129 2.092 10 0 BEAERN Nc1c(Cl)cccc1SCCO ZINC000163126625 371934470 /nfs/dbraw/zinc/93/44/70/371934470.db2.gz RCIYZFHTDLVMOB-UHFFFAOYSA-N 0 0 203.694 2.007 10 0 BEAERN C[C@@](O)(CO)c1cc(Cl)ccc1Cl ZINC000132864779 371939573 /nfs/dbraw/zinc/93/95/73/371939573.db2.gz KRUNEKIYOZNQFF-SECBINFHSA-N 0 0 221.083 2.193 10 0 BEAERN Fc1cc(NCc2cscn2)ccn1 ZINC000227644251 371912912 /nfs/dbraw/zinc/91/29/12/371912912.db2.gz HRVSIKQQTWUGPY-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1ccnc(F)c1 ZINC000227643166 371913103 /nfs/dbraw/zinc/91/31/03/371913103.db2.gz NSKFRMHKGLJICF-ZJUUUORDSA-N 0 0 210.252 2.200 10 0 BEAERN CSC[C@@H](C)Nc1ncnc(C)c1F ZINC000227653357 371913606 /nfs/dbraw/zinc/91/36/06/371913606.db2.gz TVPUPGPNTIEYNU-ZCFIWIBFSA-N 0 0 215.297 2.088 10 0 BEAERN Fc1cc(Sc2ncccn2)ccn1 ZINC000227646836 371914769 /nfs/dbraw/zinc/91/47/69/371914769.db2.gz WMJPUNGQTORVQD-UHFFFAOYSA-N 0 0 207.233 2.162 10 0 BEAERN CNc1cc(Sc2ncns2)ccn1 ZINC000227675067 371920096 /nfs/dbraw/zinc/92/00/96/371920096.db2.gz ZBTWUSTVUHWUQD-UHFFFAOYSA-N 0 0 224.314 2.126 10 0 BEAERN Cc1nocc1-c1nnc(Cl)s1 ZINC000402819797 371944177 /nfs/dbraw/zinc/94/41/77/371944177.db2.gz MFCZANRAWSOVHX-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CN(C)c1ccc2ncnc(Cl)c2c1 ZINC000163057084 371921564 /nfs/dbraw/zinc/92/15/64/371921564.db2.gz GULWCNREULWKAM-UHFFFAOYSA-N 0 0 207.664 2.349 10 0 BEAERN Cc1nnsc1[C@@H](O)c1ccsc1C ZINC000227921270 371958815 /nfs/dbraw/zinc/95/88/15/371958815.db2.gz KPGUNXKWWOGDRL-QMMMGPOBSA-N 0 0 226.326 2.298 10 0 BEAERN Cc1cncc([C@@]2(O)CS[C@@H](C)C2)c1 ZINC000227945975 371962076 /nfs/dbraw/zinc/96/20/76/371962076.db2.gz YCRSVSBORHRJOR-ONGXEEELSA-N 0 0 209.314 2.103 10 0 BEAERN Cc1cncc([C@]2(O)CS[C@H](C)C2)c1 ZINC000227945994 371962225 /nfs/dbraw/zinc/96/22/25/371962225.db2.gz YCRSVSBORHRJOR-MWLCHTKSSA-N 0 0 209.314 2.103 10 0 BEAERN CSCCC(=O)Nc1cnccc1Cl ZINC000228022207 371977522 /nfs/dbraw/zinc/97/75/22/371977522.db2.gz HRUBXLSVMMNZQK-UHFFFAOYSA-N 0 0 230.720 2.427 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)nc1 ZINC000217655418 371993028 /nfs/dbraw/zinc/99/30/28/371993028.db2.gz YZZVTFHYXBZJAC-BDAKNGLRSA-N 0 0 225.675 2.402 10 0 BEAERN O=C1NCCC[C@@H]1CC=C(Cl)Cl ZINC000403417915 371994755 /nfs/dbraw/zinc/99/47/55/371994755.db2.gz RKERKURZOXQGJX-ZCFIWIBFSA-N 0 0 208.088 2.222 10 0 BEAERN Cc1nn2ccc(Cl)nc2c1Br ZINC000217818688 372015306 /nfs/dbraw/zinc/01/53/06/372015306.db2.gz SWNJQIRPFYCIIL-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Brc1cccc(N2CC=CC2)n1 ZINC000133282796 372017577 /nfs/dbraw/zinc/01/75/77/372017577.db2.gz VYCNPSYOTHQZDA-UHFFFAOYSA-N 0 0 225.089 2.220 10 0 BEAERN CCc1noc(C[C@H]2CC2(Cl)Cl)n1 ZINC000306490754 372026739 /nfs/dbraw/zinc/02/67/39/372026739.db2.gz NNYUHEKNFNPGBB-YFKPBYRVSA-N 0 0 221.087 2.368 10 0 BEAERN C[C@H](c1c(F)cccc1F)[S@@](C)=O ZINC000306557992 372035493 /nfs/dbraw/zinc/03/54/93/372035493.db2.gz NUXNCSZZPDDLRY-CAAJLBCPSA-N 0 0 204.241 2.404 10 0 BEAERN Brc1ccccc1CN1CCCN1 ZINC000306592580 372041870 /nfs/dbraw/zinc/04/18/70/372041870.db2.gz ZSVLZDOQZNVCNU-UHFFFAOYSA-N 0 0 241.132 2.159 10 0 BEAERN OCc1csc(NCC2CCCC2)n1 ZINC000306726118 372061613 /nfs/dbraw/zinc/06/16/13/372061613.db2.gz LSFRYGSOLHEOMZ-UHFFFAOYSA-N 0 0 212.318 2.238 10 0 BEAERN O=C1OCC[C@@H]1Nc1ccccc1Cl ZINC000306676582 372053968 /nfs/dbraw/zinc/05/39/68/372053968.db2.gz WNDDFUBZCDNWFA-VIFPVBQESA-N 0 0 211.648 2.067 10 0 BEAERN Nc1nsc(-c2coc(Br)c2)n1 ZINC000307339440 372113552 /nfs/dbraw/zinc/11/35/52/372113552.db2.gz TUYBUEJHQJDAHM-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Cc1ccc(N[S@](C)=O)cc1Br ZINC000306807361 372068931 /nfs/dbraw/zinc/06/89/31/372068931.db2.gz MCSKOBMATWVNEI-LBPRGKRZSA-N 0 0 248.145 2.463 10 0 BEAERN O=C(NCc1cc[nH]c1)c1ccc(Cl)o1 ZINC000231724566 372073328 /nfs/dbraw/zinc/07/33/28/372073328.db2.gz FFLDVMDBSAABBA-UHFFFAOYSA-N 0 0 224.647 2.191 10 0 BEAERN O=C(C1CC=CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127732663 181864780 /nfs/dbraw/zinc/86/47/80/181864780.db2.gz OGOVPFZWDKSJAC-HIFRSBDPSA-N 0 0 249.354 2.106 10 0 BEAERN COC(=O)[C@H]1CC(F)(F)c2cc(F)ccc2O1 ZINC000606303028 372092140 /nfs/dbraw/zinc/09/21/40/372092140.db2.gz MMFSSIKNQWHPMB-SECBINFHSA-N 0 0 246.184 2.242 10 0 BEAERN COC(=O)[C@@H]1C[C@@H]2CC[C@@H](F)C[C@@H]2C1 ZINC000606303433 372092863 /nfs/dbraw/zinc/09/28/63/372092863.db2.gz FKFCPOWZHKWWCN-AXTSPUMRSA-N 0 0 200.253 2.324 10 0 BEAERN COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[C@@H](F)C1 ZINC000606303269 372092967 /nfs/dbraw/zinc/09/29/67/372092967.db2.gz CQNHNRQHWAWXLK-XVMARJQXSA-N 0 0 228.185 2.476 10 0 BEAERN C[C@H](c1cncs1)n1ncc(Cl)c1N ZINC000229138064 372122606 /nfs/dbraw/zinc/12/26/06/372122606.db2.gz GEFSAHBHRIMDRV-RXMQYKEDSA-N 0 0 228.708 2.185 10 0 BEAERN Cc1nc([C@]2(O)CCC[C@H]3C[C@H]32)cs1 ZINC000307237566 372100609 /nfs/dbraw/zinc/10/06/09/372100609.db2.gz GUMZYNDHGOUIPJ-NGZCFLSTSA-N 0 0 209.314 2.459 10 0 BEAERN C[C@H]1C[C@H](C)N1Cc1cc(Br)no1 ZINC000307622779 372133094 /nfs/dbraw/zinc/13/30/94/372133094.db2.gz HDAJTJTUKYQQHA-BQBZGAKWSA-N 0 0 245.120 2.420 10 0 BEAERN CN[C@H](c1ccncc1F)C(C)(F)F ZINC000307646400 372135356 /nfs/dbraw/zinc/13/53/56/372135356.db2.gz MVQSWCWIFPUJOH-MRVPVSSYSA-N 0 0 204.195 2.136 10 0 BEAERN CON[C@H](C)c1cc(F)c(C)cc1F ZINC000134229269 372182991 /nfs/dbraw/zinc/18/29/91/372182991.db2.gz UMAAGKIDKMLJQW-SSDOTTSWSA-N 0 0 201.216 2.485 10 0 BEAERN C[C@H](NN)c1cc(F)cc(Br)c1 ZINC000229333204 372143555 /nfs/dbraw/zinc/14/35/55/372143555.db2.gz SOLRGVXRIXJVCC-YFKPBYRVSA-N 0 0 233.084 2.113 10 0 BEAERN C[C@@H](Nc1nsnc1Cl)c1ncc[nH]1 ZINC000229339850 372143569 /nfs/dbraw/zinc/14/35/69/372143569.db2.gz CDLHCAHAWNVPOD-SCSAIBSYSA-N 0 0 229.696 2.088 10 0 BEAERN C[C@@H](Nc1ccnc(Cl)n1)C(F)F ZINC000307737536 372144410 /nfs/dbraw/zinc/14/44/10/372144410.db2.gz VBJUDYOBNPIPBC-SCSAIBSYSA-N 0 0 207.611 2.196 10 0 BEAERN C[C@@H](Nc1cc(Cl)ncn1)c1ncc[nH]1 ZINC000229338815 372144454 /nfs/dbraw/zinc/14/44/54/372144454.db2.gz TVEJJSJYEZWDLK-ZCFIWIBFSA-N 0 0 223.667 2.026 10 0 BEAERN CC(C)=CCNc1ncnc(Cl)c1C=O ZINC000229351991 372145364 /nfs/dbraw/zinc/14/53/64/372145364.db2.gz GICLZAHZRUJQJG-UHFFFAOYSA-N 0 0 225.679 2.321 10 0 BEAERN CC(C)(O)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000232576825 372146571 /nfs/dbraw/zinc/14/65/71/372146571.db2.gz LKIGHEOAZWOQQK-QWRGUYRKSA-N 0 0 204.269 2.130 10 0 BEAERN Cc1ccc(CO)c(OC(F)(F)F)c1 ZINC000218852089 372159790 /nfs/dbraw/zinc/15/97/90/372159790.db2.gz FFOYYPYSCREKAR-UHFFFAOYSA-N 0 0 206.163 2.386 10 0 BEAERN CS[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)F ZINC000218854717 372160018 /nfs/dbraw/zinc/16/00/18/372160018.db2.gz ASCLIFWFOFJEAV-BQBZGAKWSA-N 0 0 241.278 2.339 10 0 BEAERN CCOC(=O)c1cc2[nH]ccc2c(OC)c1 ZINC000218898144 372165806 /nfs/dbraw/zinc/16/58/06/372165806.db2.gz GHKNEJUTFCMKQF-UHFFFAOYSA-N 0 0 219.240 2.353 10 0 BEAERN CC(C)(C)[C@@H](NN)c1ccc(Cl)cn1 ZINC000229594532 372169698 /nfs/dbraw/zinc/16/96/98/372169698.db2.gz DDGBETROOACRHO-VIFPVBQESA-N 0 0 213.712 2.286 10 0 BEAERN CC(C)(C)[C@H](NN)c1ccc(Cl)cn1 ZINC000229594540 372169897 /nfs/dbraw/zinc/16/98/97/372169897.db2.gz DDGBETROOACRHO-SECBINFHSA-N 0 0 213.712 2.286 10 0 BEAERN NN[C@H](c1ccnc(Cl)c1)C1CCC1 ZINC000229616818 372172909 /nfs/dbraw/zinc/17/29/09/372172909.db2.gz NUYFWLINBNSDFQ-JTQLQIEISA-N 0 0 211.696 2.040 10 0 BEAERN O=C1CC[C@@H](Cc2cccc(Cl)c2)N1 ZINC000134322804 372195574 /nfs/dbraw/zinc/19/55/74/372195574.db2.gz SGHUIFPJIOYRBT-JTQLQIEISA-N 0 0 209.676 2.161 10 0 BEAERN C[C@H]1CN(C(=O)c2ccccc2)CCS1 ZINC000134339036 372198231 /nfs/dbraw/zinc/19/82/31/372198231.db2.gz YHXXKWSEVVWALM-JTQLQIEISA-N 0 0 221.325 2.264 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cccnc1Cl ZINC000134383705 372201416 /nfs/dbraw/zinc/20/14/16/372201416.db2.gz DYKKOWXWANAFQW-JGVFFNPUSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc2c1CCC2 ZINC000171045647 372273831 /nfs/dbraw/zinc/27/38/31/372273831.db2.gz OCJWSCYRVZRGCY-ZANVPECISA-N 0 0 215.296 2.314 10 0 BEAERN Cc1ccc(C)c(OCC(=O)N[C@H]2C[C@H]2C)c1 ZINC000171059501 372282872 /nfs/dbraw/zinc/28/28/72/372282872.db2.gz ORWAKZXJHJAPRV-NEPJUHHUSA-N 0 0 233.311 2.207 10 0 BEAERN Cc1ccc(OCC(=O)N[C@H]2C[C@@H]2C)c(C)c1 ZINC000171059829 372283048 /nfs/dbraw/zinc/28/30/48/372283048.db2.gz LNFNSOPAVTXKGA-JQWIXIFHSA-N 0 0 233.311 2.207 10 0 BEAERN O=C(CCC1CCCC1)N1CC[C@H](CCO)C1 ZINC000122986971 181906302 /nfs/dbraw/zinc/90/63/02/181906302.db2.gz PVKVHZYCBLYNTL-CYBMUJFWSA-N 0 0 239.359 2.188 10 0 BEAERN Cc1cn(-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000038283798 372530436 /nfs/dbraw/zinc/53/04/36/372530436.db2.gz JDVMKMNYHBXROV-UHFFFAOYSA-N 0 0 208.648 2.127 10 0 BEAERN NC(=O)c1c(F)c(F)ccc1C(F)(F)F ZINC000140480888 372693231 /nfs/dbraw/zinc/69/32/31/372693231.db2.gz GGCPJJFCTISPMQ-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN O=C(CN(CC(F)(F)F)C1CC1)c1ccco1 ZINC000042775913 181954377 /nfs/dbraw/zinc/95/43/77/181954377.db2.gz FORXBLNXKFQDHU-UHFFFAOYSA-N 0 0 247.216 2.489 10 0 BEAERN O=C(CN1CCCCCC1=O)c1ccc(F)cc1 ZINC000050129174 181961063 /nfs/dbraw/zinc/96/10/63/181961063.db2.gz SIDDDEBUFNBSIV-UHFFFAOYSA-N 0 0 249.285 2.411 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCS[C@H](C)C1 ZINC000171730496 372743608 /nfs/dbraw/zinc/74/36/08/372743608.db2.gz MBEMINCYZXGAKP-NXEZZACHSA-N 0 0 230.377 2.178 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@@H](C)[S@@]2=O ZINC000038974450 372837332 /nfs/dbraw/zinc/83/73/32/372837332.db2.gz YZSUKYPILWHVQV-XLKFXECMSA-N 0 0 208.282 2.078 10 0 BEAERN O=C(CO)c1c(Cl)ccc(F)c1Cl ZINC000083040318 181990328 /nfs/dbraw/zinc/99/03/28/181990328.db2.gz NZOSEIRSTMDZNE-UHFFFAOYSA-N 0 0 223.030 2.308 10 0 BEAERN Cc1cc(-c2c(N)n[nH]c2N)ccc1Cl ZINC000141119830 372870173 /nfs/dbraw/zinc/87/01/73/372870173.db2.gz OVESYUXRAVJHHY-UHFFFAOYSA-N 0 0 222.679 2.203 10 0 BEAERN Nc1ccccc1-c1nc2cccnc2o1 ZINC000039233194 372912365 /nfs/dbraw/zinc/91/23/65/372912365.db2.gz ROSPPPIOUHZZDA-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCCC1 ZINC000046466907 182022706 /nfs/dbraw/zinc/02/27/06/182022706.db2.gz XGKBPVWWRAZHHY-TUAOUCFPSA-N 0 0 207.317 2.435 10 0 BEAERN O=C(Cc1ccccc1)[C@H]1CCCCO1 ZINC000034061569 182043850 /nfs/dbraw/zinc/04/38/50/182043850.db2.gz BHHIAOIXVAGYDY-CYBMUJFWSA-N 0 0 204.269 2.367 10 0 BEAERN O=C(Cc1ccccc1)[C@@H]1CCCCO1 ZINC000034061568 182044161 /nfs/dbraw/zinc/04/41/61/182044161.db2.gz BHHIAOIXVAGYDY-ZDUSSCGKSA-N 0 0 204.269 2.367 10 0 BEAERN O=C(NCc1cc[nH]n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172853887 373093980 /nfs/dbraw/zinc/09/39/80/373093980.db2.gz NCIOVTRSYFSKOA-OLZOCXBDSA-N 0 0 247.342 2.242 10 0 BEAERN CSCCNc1c(N)ccc(F)c1F ZINC000068996019 373104603 /nfs/dbraw/zinc/10/46/03/373104603.db2.gz RELXCXZXMAWTJF-UHFFFAOYSA-N 0 0 218.272 2.322 10 0 BEAERN Cn1nccc1[C@@H](O)c1ccc(Cl)s1 ZINC000069019407 373105582 /nfs/dbraw/zinc/10/55/82/373105582.db2.gz LZSOGXQBHVDIIG-SECBINFHSA-N 0 0 228.704 2.217 10 0 BEAERN O=C(N1CCC12CCCCC2)C(F)(F)F ZINC000373057106 182080242 /nfs/dbraw/zinc/08/02/42/182080242.db2.gz MAHVBJOSRJBWDQ-UHFFFAOYSA-N 0 0 221.222 2.484 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)c1cn[nH]c1 ZINC000040437068 373264697 /nfs/dbraw/zinc/26/46/97/373264697.db2.gz DVCVTQNFRMBBQE-JTQLQIEISA-N 0 0 229.283 2.209 10 0 BEAERN O=C(NC1CC1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000370253805 182096150 /nfs/dbraw/zinc/09/61/50/182096150.db2.gz ZRNJMVFBTMXFGU-ONGXEEELSA-N 0 0 208.305 2.123 10 0 BEAERN O=C(NC1CCCCC1)[C@H]1CCCc2n[nH]cc21 ZINC000131593220 182113033 /nfs/dbraw/zinc/11/30/33/182113033.db2.gz DWWMCVUBUSHYIF-NSHDSACASA-N 0 0 247.342 2.279 10 0 BEAERN O=C(NCC1CCCC1)N1C[C@H]2CCC[C@@H]21 ZINC000336447508 182144544 /nfs/dbraw/zinc/14/45/44/182144544.db2.gz JISGAJXDOZGWSQ-NEPJUHHUSA-N 0 0 222.332 2.371 10 0 BEAERN OCc1ccc(Oc2nsnc2Cl)cc1 ZINC000040711021 373617258 /nfs/dbraw/zinc/61/72/58/373617258.db2.gz QKNHQLJURNIQHP-UHFFFAOYSA-N 0 0 242.687 2.476 10 0 BEAERN CC[C@H](CC(=O)N1CC=CCN1)C(C)(C)C ZINC000633672600 373675348 /nfs/dbraw/zinc/67/53/48/373675348.db2.gz YFQODODFJGIJJM-LLVKDONJSA-N 0 0 224.348 2.352 10 0 BEAERN Cc1c(Cl)ncnc1N1CCSC[C@@H]1C ZINC000069762794 373728383 /nfs/dbraw/zinc/72/83/83/373728383.db2.gz KBKKECWWRFSLAE-ZETCQYMHSA-N 0 0 243.763 2.380 10 0 BEAERN C[C@@H]1CSCCN1c1ccnc(Cl)n1 ZINC000069762773 373728493 /nfs/dbraw/zinc/72/84/93/373728493.db2.gz MNDFDSAGKUHICL-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN Nc1nc(Sc2ccc(F)cc2)ns1 ZINC000069763840 373728655 /nfs/dbraw/zinc/72/86/55/373728655.db2.gz SBOXPYIUCOHAHP-UHFFFAOYSA-N 0 0 227.289 2.411 10 0 BEAERN COC(=O)c1ccnc(OC(F)(F)F)c1C ZINC000381059554 373822996 /nfs/dbraw/zinc/82/29/96/373822996.db2.gz KNWWKIQCOXRZHE-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cc1nn(C2CCCC2)c(Cl)c1CO ZINC000040927862 373927881 /nfs/dbraw/zinc/92/78/81/373927881.db2.gz APXWOTKWWSMSLF-UHFFFAOYSA-N 0 0 214.696 2.452 10 0 BEAERN CC(C)[C@H]1C[C@](O)(C(F)(F)F)CCO1 ZINC000069898492 373973726 /nfs/dbraw/zinc/97/37/26/373973726.db2.gz CFFVDPNLNMFGQO-SFYZADRCSA-N 0 0 212.211 2.115 10 0 BEAERN CC[C@]1(C)C[C@@](O)(C(F)(F)F)CCO1 ZINC000069898458 373973847 /nfs/dbraw/zinc/97/38/47/373973847.db2.gz AIJPIONOQMRXLD-HTQZYQBOSA-N 0 0 212.211 2.259 10 0 BEAERN O=C(NCCc1ccsc1)N1CCCC1 ZINC000135946957 182210673 /nfs/dbraw/zinc/21/06/73/182210673.db2.gz JTCQPCACUQUZHZ-UHFFFAOYSA-N 0 0 224.329 2.096 10 0 BEAERN O=C(NCCc1ccsc1)c1ccc(O)cc1 ZINC000049186179 182210723 /nfs/dbraw/zinc/21/07/23/182210723.db2.gz HJDIQDMCPALDAU-UHFFFAOYSA-N 0 0 247.319 2.426 10 0 BEAERN O=[N+]([O-])c1cc(CF)cnc1OC(F)(F)F ZINC000381212163 374043572 /nfs/dbraw/zinc/04/35/72/374043572.db2.gz FEVOBMDACSEFCY-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN O=C1N=NC(c2ccc(Br)s2)O1 ZINC000070030774 374111681 /nfs/dbraw/zinc/11/16/81/374111681.db2.gz PRTQGQLZIOLBLY-UHFFFAOYSA-N 0 0 247.073 2.266 10 0 BEAERN CC(=O)Nc1c(N)n[nH]c1Sc1ccccc1 ZINC000041166629 374116728 /nfs/dbraw/zinc/11/67/28/374116728.db2.gz DETLIDWWEHTOBK-UHFFFAOYSA-N 0 0 248.311 2.102 10 0 BEAERN Nc1ccc(O[C@H]2CCOC2)cc1Cl ZINC000070071436 374119067 /nfs/dbraw/zinc/11/90/67/374119067.db2.gz LESPILRSAMFVPQ-QMMMGPOBSA-N 0 0 213.664 2.090 10 0 BEAERN Cc1nc(-c2ccncn2)nc(Cl)c1C ZINC000070096573 374121303 /nfs/dbraw/zinc/12/13/03/374121303.db2.gz VZLFMWGWDHGRGC-UHFFFAOYSA-N 0 0 220.663 2.204 10 0 BEAERN Nc1nc(-c2ccc(Br)cc2)no1 ZINC000041283103 374129344 /nfs/dbraw/zinc/12/93/44/374129344.db2.gz HDKCWMAQSKTUOP-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN O=C([C@H]1CCCS1)[C@H]1CCCCO1 ZINC000069984833 374102286 /nfs/dbraw/zinc/10/22/86/374102286.db2.gz FACAMOBWBCHNIX-RKDXNWHRSA-N 0 0 200.303 2.020 10 0 BEAERN CSCC(=O)c1ccc2c(c1)CCO2 ZINC000069984511 374106669 /nfs/dbraw/zinc/10/66/69/374106669.db2.gz OSWATXOWXVWJJE-UHFFFAOYSA-N 0 0 208.282 2.167 10 0 BEAERN CSCC(=O)c1cccc2c1OCCO2 ZINC000069984687 374108538 /nfs/dbraw/zinc/10/85/38/374108538.db2.gz JSZVEPKWTCYHEX-UHFFFAOYSA-N 0 0 224.281 2.004 10 0 BEAERN C=Cc1nc(Cc2csc(C)n2)no1 ZINC000070581063 374147698 /nfs/dbraw/zinc/14/76/98/374147698.db2.gz MCMOYBRVUHWNQV-UHFFFAOYSA-N 0 0 207.258 2.068 10 0 BEAERN C[N@H+](/C=C\C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000381918998 374167705 /nfs/dbraw/zinc/16/77/05/374167705.db2.gz JYSOTIXEFCNVEC-UQIALMMFSA-N 0 0 209.289 2.095 10 0 BEAERN C[C@@H](Nc1cccnn1)c1nccs1 ZINC000070634730 374167793 /nfs/dbraw/zinc/16/77/93/374167793.db2.gz COGQHITZCJPKTD-SSDOTTSWSA-N 0 0 206.274 2.106 10 0 BEAERN C[C@H](Nc1nncs1)c1nccs1 ZINC000070634721 374168328 /nfs/dbraw/zinc/16/83/28/374168328.db2.gz WAMZYRAWSKKGFK-YFKPBYRVSA-N 0 0 212.303 2.168 10 0 BEAERN CC(C)[NH2+]C1(C(=O)[O-])CCC(C)(C)CC1 ZINC000070654458 374171813 /nfs/dbraw/zinc/17/18/13/374171813.db2.gz QHRYYHNKEBRTNK-UHFFFAOYSA-N 0 0 213.321 2.408 10 0 BEAERN Cc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000246211838 374198643 /nfs/dbraw/zinc/19/86/43/374198643.db2.gz OFEGVKHGLSBUMF-WZRBSPASSA-N 0 0 233.311 2.287 10 0 BEAERN Nc1nsc(-c2ccc(F)c(F)c2)n1 ZINC000070839120 374198710 /nfs/dbraw/zinc/19/87/10/374198710.db2.gz DANHTJGTGAUDKY-UHFFFAOYSA-N 0 0 213.212 2.066 10 0 BEAERN CC[C@](C)(CO)Nc1nc(C)cs1 ZINC000070889277 374224202 /nfs/dbraw/zinc/22/42/02/374224202.db2.gz BOHLDYQVRHCOFD-SECBINFHSA-N 0 0 200.307 2.024 10 0 BEAERN CC[C@@](C)(CO)Nc1nc(C)cs1 ZINC000070889269 374224580 /nfs/dbraw/zinc/22/45/80/374224580.db2.gz BOHLDYQVRHCOFD-VIFPVBQESA-N 0 0 200.307 2.024 10 0 BEAERN Cn1cc(C[C@@H]2CCCCC(=O)C2)cn1 ZINC000070740326 374186404 /nfs/dbraw/zinc/18/64/04/374186404.db2.gz FZZPQGCNVIFIHJ-JTQLQIEISA-N 0 0 206.289 2.112 10 0 BEAERN Cc1cccc(CNC(=O)NCCF)c1Cl ZINC000143814203 374253011 /nfs/dbraw/zinc/25/30/11/374253011.db2.gz BBCVZYRRXHANQD-UHFFFAOYSA-N 0 0 244.697 2.417 10 0 BEAERN O[C@@H]1CCc2c1cccc2OC(F)F ZINC000042405521 374267061 /nfs/dbraw/zinc/26/70/61/374267061.db2.gz WEEDYGRCSMXCDO-MRVPVSSYSA-N 0 0 200.184 2.268 10 0 BEAERN O[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000070963620 374235286 /nfs/dbraw/zinc/23/52/86/374235286.db2.gz MBNUPAYPYVBQLY-NSHDSACASA-N 0 0 212.676 2.034 10 0 BEAERN CCOC(=O)C(=O)c1ccc(OC)cc1Cl ZINC000042898835 374299021 /nfs/dbraw/zinc/29/90/21/374299021.db2.gz UHALUIKMZWJWAW-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN O=C(NO)Nc1ccc(C(F)(F)F)cc1 ZINC000029048937 182280017 /nfs/dbraw/zinc/28/00/17/182280017.db2.gz DRFSQRMYIQLAMQ-UHFFFAOYSA-N 0 0 220.150 2.216 10 0 in-vivo BEAERN CCCCNC(=O)c1cc(NCCC)ccn1 ZINC000050720305 168861040 /nfs/dbraw/zinc/86/10/40/168861040.db2.gz LFRSUFLTNAIYBB-UHFFFAOYSA-N 0 0 235.331 2.433 10 0 BEAERN O=C(N[C@@H]1CCCOC1)c1cc2ccccc2[nH]1 ZINC000103957692 182295260 /nfs/dbraw/zinc/29/52/60/182295260.db2.gz ZAHMWUDMSSCIBQ-LLVKDONJSA-N 0 0 244.294 2.077 10 0 BEAERN O=C(N[C@@H]1CCc2ccccc2C1)C(F)(F)F ZINC000112825667 182312407 /nfs/dbraw/zinc/31/24/07/182312407.db2.gz YYYXOONORQHFOM-SNVBAGLBSA-N 0 0 243.228 2.222 10 0 BEAERN CCCCC[S@](=O)Cc1nnc(C)n1CC ZINC000194625292 206100683 /nfs/dbraw/zinc/10/06/83/206100683.db2.gz JVEBDCWBVQULCB-INIZCTEOSA-N 0 0 243.376 2.045 10 0 BEAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cccs1 ZINC000225643943 182328277 /nfs/dbraw/zinc/32/82/77/182328277.db2.gz TWDNYEWQKJELGD-UWVGGRQHSA-N 0 0 239.340 2.029 10 0 BEAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cccs1 ZINC000225643882 182328311 /nfs/dbraw/zinc/32/83/11/182328311.db2.gz TWDNYEWQKJELGD-ZJUUUORDSA-N 0 0 239.340 2.029 10 0 BEAERN O=C(N[C@H]1CCCOC1)c1ccc2cc[nH]c2c1 ZINC000111237064 182330763 /nfs/dbraw/zinc/33/07/63/182330763.db2.gz IYGHPNFYXUJHOP-LBPRGKRZSA-N 0 0 244.294 2.077 10 0 BEAERN O=C(N[C@H]1CC[C@H](CO)C1)OCc1ccccc1 ZINC000072265900 182339774 /nfs/dbraw/zinc/33/97/74/182339774.db2.gz FDKXYQLCKKQFKQ-STQMWFEESA-N 0 0 249.310 2.074 10 0 BEAERN O=C(N[C@H]1CCc2ccccc21)N1CCCCO1 ZINC000282848176 182340880 /nfs/dbraw/zinc/34/08/80/182340880.db2.gz SASHMLQPRCWGDC-ZDUSSCGKSA-N 0 0 246.310 2.411 10 0 BEAERN CSC1(CNC(=O)N[C@@H](C)C(C)C)CC1 ZINC000194804107 206110597 /nfs/dbraw/zinc/11/05/97/206110597.db2.gz BUSTVUGYFFTKQR-VIFPVBQESA-N 0 0 230.377 2.226 10 0 BEAERN O=C(Nc1cc[nH]n1)C1(c2ccc(F)cc2)CC1 ZINC000042413992 182351098 /nfs/dbraw/zinc/35/10/98/182351098.db2.gz FYIQRMLPZVOBMX-UHFFFAOYSA-N 0 0 245.257 2.219 10 0 BEAERN O=C(Nc1cccc(CO)c1)c1ccc(O)cc1 ZINC000037980238 182368505 /nfs/dbraw/zinc/36/85/05/182368505.db2.gz NNDIWCMYKRIERQ-UHFFFAOYSA-N 0 0 243.262 2.137 10 0 BEAERN O=C(Nc1cccc2c1OCO2)N1CC2(CC2)C1 ZINC000333506501 182373817 /nfs/dbraw/zinc/37/38/17/182373817.db2.gz LDRBQRJSAOYUMY-UHFFFAOYSA-N 0 0 246.266 2.043 10 0 BEAERN O=C(Nc1cn[nH]c1)c1cc2ccccc2o1 ZINC000035237467 182392738 /nfs/dbraw/zinc/39/27/38/182392738.db2.gz TXJBURGYPVDKBT-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN O=C(Nc1cccnc1)c1cc2ccncc2[nH]1 ZINC000142575703 182383656 /nfs/dbraw/zinc/38/36/56/182383656.db2.gz GZCFNLQINVCTBS-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C([O-])C1([NH2+]C2CC2)CCCCCCC1 ZINC000037183485 182424082 /nfs/dbraw/zinc/42/40/82/182424082.db2.gz CIHGECYSARFKTK-UHFFFAOYSA-N 0 0 211.305 2.306 10 0 BEAERN O=C([O-])C1([NH2+]C2CCCC2)CCCCC1 ZINC000037968907 182423191 /nfs/dbraw/zinc/42/31/91/182423191.db2.gz VUJRVDJBORXRFO-UHFFFAOYSA-N 0 0 211.305 2.306 10 0 BEAERN O=C(OF)C(F)(F)Oc1cccc(F)c1F ZINC000071606262 182606223 /nfs/dbraw/zinc/60/62/23/182606223.db2.gz WRHOCWIWRZBDTO-UHFFFAOYSA-N 0 0 242.099 2.364 10 0 BEAERN O=C([C@H]1CCOC1)[C@H]1CCOc2ccccc21 ZINC000104197595 182640238 /nfs/dbraw/zinc/64/02/38/182640238.db2.gz BJYAEBLJTIBRTD-JQWIXIFHSA-N 0 0 232.279 2.158 10 0 BEAERN O=C(c1ccc(=O)[nH]c1)N1CCCC12CCCC2 ZINC000364185665 182662791 /nfs/dbraw/zinc/66/27/91/182662791.db2.gz HUVCAINGYIIFPJ-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN O=C(c1cccc(-n2cccc2)c1)N1CCCO1 ZINC000125393350 182669987 /nfs/dbraw/zinc/66/99/87/182669987.db2.gz BGJOISLPABVMKS-UHFFFAOYSA-N 0 0 242.278 2.255 10 0 BEAERN O=C(c1cccc(C(F)(F)F)c1)N1CCCO1 ZINC000125343809 182670490 /nfs/dbraw/zinc/67/04/90/182670490.db2.gz IWYDKLVZMKPSRD-UHFFFAOYSA-N 0 0 245.200 2.483 10 0 BEAERN O=C(c1ccc2ncccc2c1)N1CCCO1 ZINC000125426088 182667680 /nfs/dbraw/zinc/66/76/80/182667680.db2.gz XUIUXLDESIZPKK-UHFFFAOYSA-N 0 0 228.251 2.012 10 0 BEAERN O=C(c1cnc2ccccn12)C(F)(F)F ZINC000001796914 182698384 /nfs/dbraw/zinc/69/83/84/182698384.db2.gz IJDOVZPRNULQHU-UHFFFAOYSA-N 0 0 214.146 2.079 10 0 BEAERN O=C(c1cncc(O)c1)N1CC[C@H]2CCCC[C@H]21 ZINC000096481541 182700500 /nfs/dbraw/zinc/70/05/00/182700500.db2.gz IMABMHFBYWRMNH-ZWNOBZJWSA-N 0 0 246.310 2.192 10 0 BEAERN CCOC(=O)[C@H](C)Nc1cccc(OC)c1 ZINC000037961351 170269161 /nfs/dbraw/zinc/26/91/61/170269161.db2.gz MSPLQANWNJRBDH-VIFPVBQESA-N 0 0 223.272 2.059 10 0 BEAERN O=C1COC[C@H]1Cc1ccc(Cl)s1 ZINC000076646009 182767437 /nfs/dbraw/zinc/76/74/37/182767437.db2.gz RLGKBTXPKUMPCI-ZCFIWIBFSA-N 0 0 216.689 2.160 10 0 BEAERN O=C1COC[C@@H]1Cc1ccc(Cl)cc1 ZINC000076643196 182768239 /nfs/dbraw/zinc/76/82/39/182768239.db2.gz QMZNKTZASHCUAG-VIFPVBQESA-N 0 0 210.660 2.098 10 0 BEAERN O=C1CCc2sc(Br)cc2CN1 ZINC000096983936 182756948 /nfs/dbraw/zinc/75/69/48/182756948.db2.gz QUAVHFYPFVXHGU-UHFFFAOYSA-N 0 0 246.129 2.073 10 0 BEAERN O=C1NCCCN1Cc1ccc(F)cc1Cl ZINC000000215783 182799964 /nfs/dbraw/zinc/79/99/64/182799964.db2.gz MTHQVUIKPJICSO-UHFFFAOYSA-N 0 0 242.681 2.394 10 0 BEAERN O=C1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000021994615 182845878 /nfs/dbraw/zinc/84/58/78/182845878.db2.gz GQRADTVKEIYYAK-LBPRGKRZSA-N 0 0 212.252 2.253 10 0 BEAERN O=C1OCc2c1ccc([C@@H]1CO1)c2Cl ZINC000113484223 182835369 /nfs/dbraw/zinc/83/53/69/182835369.db2.gz AMIATSMPJOHQIK-QMMMGPOBSA-N 0 0 210.616 2.082 10 0 BEAERN O=Cc1c(Cl)ncnc1N1CCCCCC1 ZINC000019945822 182858910 /nfs/dbraw/zinc/85/89/10/182858910.db2.gz VRJQZZHHQISLMN-UHFFFAOYSA-N 0 0 239.706 2.323 10 0 BEAERN O=Cc1cc2c(cc1OCC(F)(F)F)OCO2 ZINC000042875381 182863251 /nfs/dbraw/zinc/86/32/51/182863251.db2.gz JUUZTDWDOIAEPT-UHFFFAOYSA-N 0 0 248.156 2.169 10 0 BEAERN O=Cc1csc(N2CCCCCC2)n1 ZINC000082688853 182875093 /nfs/dbraw/zinc/87/50/93/182875093.db2.gz NUWSJBATTMLDLS-UHFFFAOYSA-N 0 0 210.302 2.336 10 0 BEAERN O=Cc1cnn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000066055266 182875330 /nfs/dbraw/zinc/87/53/30/182875330.db2.gz FXHADQHSGULZSV-UHFFFAOYSA-N 0 0 241.172 2.099 10 0 BEAERN CCCCOc1cc(NCC)nc(COC)n1 ZINC000082492206 168915164 /nfs/dbraw/zinc/91/51/64/168915164.db2.gz XQIRLOYJETYMOT-UHFFFAOYSA-N 0 0 239.319 2.234 10 0 BEAERN O=c1[nH]cc(Cl)cc1-c1ccncc1 ZINC000047212535 182977619 /nfs/dbraw/zinc/97/76/19/182977619.db2.gz GWSSECULEQPNDJ-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1cc[nH]c(-c2cc(F)ccc2F)c1 ZINC000065355757 182997014 /nfs/dbraw/zinc/99/70/14/182997014.db2.gz SRWRBSYHUPRQDO-UHFFFAOYSA-N 0 0 207.179 2.320 10 0 BEAERN O=c1ccsc(Nc2ccccc2)n1 ZINC000039218984 183006592 /nfs/dbraw/zinc/00/65/92/183006592.db2.gz KFSFPGCYKUGMAA-UHFFFAOYSA-N 0 0 204.254 2.247 10 0 BEAERN OC1CCC(Nc2ccc3c(c2)CCO3)CC1 ZINC000236488115 183028508 /nfs/dbraw/zinc/02/85/08/183028508.db2.gz WSOZZKDEIMQEHK-UHFFFAOYSA-N 0 0 233.311 2.337 10 0 BEAERN CCCC[C@@H]1CC[C@](C[NH3+])(CC(=O)[O-])C1 ZINC000045372312 168976089 /nfs/dbraw/zinc/97/60/89/168976089.db2.gz USZXKKPNEFLRDV-ZYHUDNBSSA-N 0 0 213.321 2.397 10 0 in-vivo BEAERN CCCC[C@H](C)C(=O)NC[C@H](O)C(C)(C)C ZINC000324324400 168982446 /nfs/dbraw/zinc/98/24/46/168982446.db2.gz IUCFSNUBWRPYSE-QWRGUYRKSA-N 0 0 229.364 2.336 10 0 BEAERN OCCCc1c(O)ccc2ccccc21 ZINC000013560939 183063941 /nfs/dbraw/zinc/06/39/41/183063941.db2.gz OVRMMZLQYVLMSW-UHFFFAOYSA-N 0 0 202.253 2.470 10 0 BEAERN OCCNc1c(Cl)cccc1Cl ZINC000041571484 183080759 /nfs/dbraw/zinc/08/07/59/183080759.db2.gz MZUZSFOBZMZTAR-UHFFFAOYSA-N 0 0 206.072 2.398 10 0 BEAERN OCCSCCC[C@@H](O)c1ccc(F)cc1 ZINC000058826686 183087424 /nfs/dbraw/zinc/08/74/24/183087424.db2.gz SQPMMIQJXTXNGS-GFCCVEGCSA-N 0 0 244.331 2.365 10 0 BEAERN OCC[C@@H]1CNc2cc(Br)ccc21 ZINC000071486861 183095314 /nfs/dbraw/zinc/09/53/14/183095314.db2.gz WJVZMDMDRXBEDX-SSDOTTSWSA-N 0 0 242.116 2.341 10 0 BEAERN CCCC[C@H](O)/C=C/[C@H]1COC(C)(C)O1 ZINC000095611779 169012619 /nfs/dbraw/zinc/01/26/19/169012619.db2.gz QCTQIMIMMAUENY-IJUHFESZSA-N 0 0 214.305 2.245 10 0 BEAERN CCCC[C@H]1CC[C@](C[NH3+])(CC(=O)[O-])C1 ZINC000045372317 169013913 /nfs/dbraw/zinc/01/39/13/169013913.db2.gz USZXKKPNEFLRDV-CMPLNLGQSA-N 0 0 213.321 2.397 10 0 in-vivo BEAERN OC[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000027425280 183106542 /nfs/dbraw/zinc/10/65/42/183106542.db2.gz WPRITGBJGHUHOS-CYBMUJFWSA-N 0 0 244.290 2.416 10 0 BEAERN OC[C@@H](Nc1ccccc1F)[C@@H]1CCCOC1 ZINC000104313202 183110586 /nfs/dbraw/zinc/11/05/86/183110586.db2.gz QIXYGEWRDCEWCI-ZWNOBZJWSA-N 0 0 239.290 2.025 10 0 BEAERN OC[C@H](C=C(Cl)Cl)N1CCCCC1 ZINC000062721953 183135880 /nfs/dbraw/zinc/13/58/80/183135880.db2.gz OIQFCMQNAQXWIT-QMMMGPOBSA-N 0 0 224.131 2.152 10 0 BEAERN OC[C@H](Nc1ccnc(Cl)c1)c1ccco1 ZINC000301635246 183143126 /nfs/dbraw/zinc/14/31/26/183143126.db2.gz LAYCTIISTCESKW-VIFPVBQESA-N 0 0 238.674 2.474 10 0 BEAERN OC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000011892870 183124019 /nfs/dbraw/zinc/12/40/19/183124019.db2.gz SUOGDPBDARALOL-SECBINFHSA-N 0 0 211.692 2.159 10 0 BEAERN OC[C@]1(Nc2ccc(F)cc2)CCSC1 ZINC000038113967 183159487 /nfs/dbraw/zinc/15/94/87/183159487.db2.gz SIWAEXJQHIYJTA-LLVKDONJSA-N 0 0 227.304 2.106 10 0 BEAERN OCc1ccc(CO[C@H]2CCCCO2)cc1 ZINC000090727896 183165142 /nfs/dbraw/zinc/16/51/42/183165142.db2.gz SODNLOGCPXYAEK-ZDUSSCGKSA-N 0 0 222.284 2.222 10 0 BEAERN OCc1c(Cl)cccc1-n1cccn1 ZINC000034956853 183160385 /nfs/dbraw/zinc/16/03/85/183160385.db2.gz LRISECNMPIFQPZ-UHFFFAOYSA-N 0 0 208.648 2.018 10 0 BEAERN OCc1cc(-c2cccc(Cl)c2)on1 ZINC000084194197 183160616 /nfs/dbraw/zinc/16/06/16/183160616.db2.gz BBLDPDOSTBIXLM-UHFFFAOYSA-N 0 0 209.632 2.487 10 0 BEAERN OCc1c[nH]c(=S)n1Cc1ccccc1F ZINC000019724510 183160798 /nfs/dbraw/zinc/16/07/98/183160798.db2.gz KHDJNCSAHBCSKC-UHFFFAOYSA-N 0 0 238.287 2.225 10 0 BEAERN OCc1cc(F)c(F)cc1C(F)(F)F ZINC000002382070 183161924 /nfs/dbraw/zinc/16/19/24/183161924.db2.gz HIPOVZMGHKCDQZ-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN OC[C@H]1CC1(C(F)(F)F)C(F)(F)F ZINC000057218873 183146101 /nfs/dbraw/zinc/14/61/01/183146101.db2.gz YKHKDTDAAOZNFV-GSVOUGTGSA-N 0 0 208.101 2.110 10 0 BEAERN CCO[C@@H]1C[C@H]2c3ccccc3CCN2O1 ZINC000039100536 170495463 /nfs/dbraw/zinc/49/54/63/170495463.db2.gz FXINNBLAJXXLQV-STQMWFEESA-N 0 0 219.284 2.284 10 0 BEAERN O[C@@H](Cc1cccc(F)c1F)C[C@@H]1CCCO1 ZINC000053783758 183183082 /nfs/dbraw/zinc/18/30/82/183183082.db2.gz CIIYGXMFVICACO-QWRGUYRKSA-N 0 0 242.265 2.437 10 0 BEAERN O[C@@H](Cn1ccnc1)c1ccc(Cl)s1 ZINC000041250457 183184757 /nfs/dbraw/zinc/18/47/57/183184757.db2.gz NJNALFLADACWBW-ZETCQYMHSA-N 0 0 228.704 2.332 10 0 BEAERN O[C@@H]1CCCc2cc(O[C@H]3CCOC3)ccc21 ZINC000070072313 183197943 /nfs/dbraw/zinc/19/79/43/183197943.db2.gz DJCKRRCOWZHOJY-GXTWGEPZSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@H](c1nc2c(s1)COCC2)c1ccccc1 ZINC000075870444 183185421 /nfs/dbraw/zinc/18/54/21/183185421.db2.gz OYPGWGDIMCKMIU-LBPRGKRZSA-N 0 0 247.319 2.298 10 0 BEAERN CCCN(C)C(=O)c1cc2cc(N)ccc2[nH]1 ZINC000062834163 169061499 /nfs/dbraw/zinc/06/14/99/169061499.db2.gz NAPZXZWQDDWEBZ-UHFFFAOYSA-N 0 0 231.299 2.232 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1ncncc1Cl ZINC000163623747 183188274 /nfs/dbraw/zinc/18/82/74/183188274.db2.gz QELPKEVHDXHJRQ-PSASIEDQSA-N 0 0 241.722 2.093 10 0 BEAERN CCCN(C)C(=O)c1cccc(C)c1N ZINC000037097698 169061750 /nfs/dbraw/zinc/06/17/50/169061750.db2.gz BIRTUVBIXYNLLT-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1ncnc2ccccc21 ZINC000052005780 183189610 /nfs/dbraw/zinc/18/96/10/183189610.db2.gz ZXXOBQFIXKIYIX-QWHCGFSZSA-N 0 0 243.310 2.345 10 0 BEAERN CCCN(C)C(=O)c1cccc(N)c1C ZINC000037097701 169063489 /nfs/dbraw/zinc/06/34/89/169063489.db2.gz RGTQXDUDLOPVGM-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN O[C@@H]1CCCCc2cc3c(cc21)OCCO3 ZINC000019727051 183191700 /nfs/dbraw/zinc/19/17/00/183191700.db2.gz LGKYBISADCUZFB-LLVKDONJSA-N 0 0 220.268 2.218 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cc(F)ccc1F ZINC000037689761 183195368 /nfs/dbraw/zinc/19/53/68/183195368.db2.gz FPYLNJHBFWHKMP-GXSJLCMTSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@]1(c2ccccc2)CN=C2CCCCCN21 ZINC000073734333 183217602 /nfs/dbraw/zinc/21/76/02/183217602.db2.gz IIOGWDXFUHOFPX-CQSZACIVSA-N 0 0 230.311 2.120 10 0 BEAERN O[C@H](c1ccc(F)cc1)c1ncccc1F ZINC000075872014 183228764 /nfs/dbraw/zinc/22/87/64/183228764.db2.gz KQNRBQYGDDMKDM-GFCCVEGCSA-N 0 0 221.206 2.442 10 0 BEAERN O[C@H](Nc1ccccn1)c1ccccc1 ZINC000238714770 183228823 /nfs/dbraw/zinc/22/88/23/183228823.db2.gz SSFJOXFHWQTMIK-LBPRGKRZSA-N 0 0 200.241 2.185 10 0 BEAERN O[C@@H]1COC[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000037877623 183209999 /nfs/dbraw/zinc/20/99/99/183209999.db2.gz FYGCLTJCLXZLBH-VHSXEESVSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@@H]1C[C@@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415207 183211661 /nfs/dbraw/zinc/21/16/61/183211661.db2.gz PSFGHRIZPRPWSD-OIBJUYFYSA-N 0 0 220.297 2.235 10 0 BEAERN O[C@H]1CCOC[C@H]1Cc1cccc(Cl)c1 ZINC000095078337 183241078 /nfs/dbraw/zinc/24/10/78/183241078.db2.gz DLFADWLYHQWTNJ-PWSUYJOCSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@H]1CCOC[C@H]1Cc1c(F)cccc1Cl ZINC000095078305 183241389 /nfs/dbraw/zinc/24/13/89/183241389.db2.gz RIUGFBWYCLNRBF-PELKAZGASA-N 0 0 244.693 2.419 10 0 BEAERN O[C@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl ZINC000095078306 183241392 /nfs/dbraw/zinc/24/13/92/183241392.db2.gz RIUGFBWYCLNRBF-UFBFGSQYSA-N 0 0 244.693 2.419 10 0 BEAERN CCCN(CC)C(=O)c1cc(OC)ccc1N ZINC000037846895 169117224 /nfs/dbraw/zinc/11/72/24/169117224.db2.gz VQZWCTWGGODMOY-UHFFFAOYSA-N 0 0 236.315 2.150 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1ccccn1 ZINC000077208286 183232398 /nfs/dbraw/zinc/23/23/98/183232398.db2.gz XYUQNZIYORXHSP-QWRGUYRKSA-N 0 0 206.289 2.045 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1cnc2c(n1)CCCC2 ZINC000311188766 183233984 /nfs/dbraw/zinc/23/39/84/183233984.db2.gz CSZULZMKOOVJBU-OLZOCXBDSA-N 0 0 247.342 2.071 10 0 BEAERN O[C@H]1CCC[C@@H](Oc2ccc3n[nH]cc3c2)C1 ZINC000089196704 183236149 /nfs/dbraw/zinc/23/61/49/183236149.db2.gz DVFXNPCOKKRVMJ-WDEREUQCSA-N 0 0 232.283 2.245 10 0 BEAERN O[C@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095077758 183236238 /nfs/dbraw/zinc/23/62/38/183236238.db2.gz PLXQYKLVMBHYAM-VIFPVBQESA-N 0 0 234.324 2.257 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1F ZINC000061095551 183236287 /nfs/dbraw/zinc/23/62/87/183236287.db2.gz ZNEAUVXMGUHAAP-WPRPVWTQSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1 ZINC000037689859 183236291 /nfs/dbraw/zinc/23/62/91/183236291.db2.gz DPAGDFMMLNAVOS-QWRGUYRKSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ccc(Cl)cn1 ZINC000084233083 183237805 /nfs/dbraw/zinc/23/78/05/183237805.db2.gz DOYWCNKUUHQJEJ-WPRPVWTQSA-N 0 0 226.707 2.308 10 0 BEAERN Oc1ccc(O)c(Cc2cccnc2)c1 ZINC000095080133 183275988 /nfs/dbraw/zinc/27/59/88/183275988.db2.gz HNBSGFSVNQUYGD-UHFFFAOYSA-N 0 0 201.225 2.084 10 0 BEAERN Oc1cc2c(cc1Br)NCC2 ZINC000082371274 183261607 /nfs/dbraw/zinc/26/16/07/183261607.db2.gz BGUUJDCFXMQPII-UHFFFAOYSA-N 0 0 214.062 2.123 10 0 BEAERN Oc1ccc2c(c1)OC[C@@H]2NCc1cscn1 ZINC000104435127 183281416 /nfs/dbraw/zinc/28/14/16/183281416.db2.gz UODKHPAIKVPXDH-NSHDSACASA-N 0 0 248.307 2.072 10 0 BEAERN Oc1ccc(-c2cc(O)cc(O)c2)cc1 ZINC000013377095 183263931 /nfs/dbraw/zinc/26/39/31/183263931.db2.gz HSZOQEGJICWJDP-UHFFFAOYSA-N 0 0 202.209 2.470 10 0 endogenous,in-man BEAERN Oc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000006813649 183285587 /nfs/dbraw/zinc/28/55/87/183285587.db2.gz AFCVYAWGRLAVAZ-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN Oc1ccc2[nH]c(CC(F)(F)F)nc2c1 ZINC000076039804 183285981 /nfs/dbraw/zinc/28/59/81/183285981.db2.gz QKXWYGFCLYSODF-UHFFFAOYSA-N 0 0 216.162 2.373 10 0 BEAERN CCCN(CCC)c1cc(C(N)=S)ccn1 ZINC000019805527 169153011 /nfs/dbraw/zinc/15/30/11/169153011.db2.gz PPGBCOJRVGGOMD-UHFFFAOYSA-N 0 0 237.372 2.342 10 0 BEAERN CCCN(CCO)C(=O)CCc1ccc(C)cc1 ZINC000042227613 169159341 /nfs/dbraw/zinc/15/93/41/169159341.db2.gz YXNRLJQYOKZISJ-UHFFFAOYSA-N 0 0 249.354 2.159 10 0 BEAERN Oc1cccc([C@H](O)c2ccccc2)c1 ZINC000075870357 183293824 /nfs/dbraw/zinc/29/38/24/183293824.db2.gz LDVOYHIJRINIFY-CYBMUJFWSA-N 0 0 200.237 2.474 10 0 BEAERN Oc1cccc2c1CCC[C@H]2N1CCOCC1 ZINC000082299792 183295516 /nfs/dbraw/zinc/29/55/16/183295516.db2.gz RMEKLEBQALGKBX-CYBMUJFWSA-N 0 0 233.311 2.102 10 0 BEAERN Oc1ccccc1-c1nc2cccnc2[nH]1 ZINC000012360731 183299840 /nfs/dbraw/zinc/29/98/40/183299840.db2.gz TXIZWDGGKIUXDT-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN S=C1Oc2ccccc2[C@H]2SCCN12 ZINC000033876040 183313580 /nfs/dbraw/zinc/31/35/80/183313580.db2.gz APTIBMIGRPMQLW-SECBINFHSA-N 0 0 223.322 2.411 10 0 BEAERN S=c1[nH]ccn1-c1ccc2c(c1)OCCO2 ZINC000034964255 183314861 /nfs/dbraw/zinc/31/48/61/183314861.db2.gz VTTNBZFEGACIHU-UHFFFAOYSA-N 0 0 234.280 2.306 10 0 BEAERN CCCN(c1ncnc(Cl)c1N)C(C)C ZINC000062362591 169183956 /nfs/dbraw/zinc/18/39/56/169183956.db2.gz SQTVBUKVKVTUQP-UHFFFAOYSA-N 0 0 228.727 2.337 10 0 BEAERN c1c(-c2nc(C3CC3)no2)n[nH]c1C1CC1 ZINC000045894608 183321091 /nfs/dbraw/zinc/32/10/91/183321091.db2.gz LXYMLFJFYUAMOM-UHFFFAOYSA-N 0 0 216.244 2.215 10 0 BEAERN CCCNC(=O)CNc1cccc(SC)c1 ZINC000020038998 169230763 /nfs/dbraw/zinc/23/07/63/169230763.db2.gz DXLRKSGVUXCKFV-UHFFFAOYSA-N 0 0 238.356 2.347 10 0 BEAERN CCCNC(=O)CNc1cccc(OCC)c1 ZINC000005139166 169230781 /nfs/dbraw/zinc/23/07/81/169230781.db2.gz FBHSVBXLTMAKNL-UHFFFAOYSA-N 0 0 236.315 2.023 10 0 BEAERN CCCNC(=O)CNc1ccc2c(c1)CCC2 ZINC000020048645 169230954 /nfs/dbraw/zinc/23/09/54/169230954.db2.gz IDSFWONZWFZKKJ-UHFFFAOYSA-N 0 0 232.327 2.113 10 0 BEAERN CCCNC(=O)COc1ccccc1C(=O)CC ZINC000019472919 169231879 /nfs/dbraw/zinc/23/18/79/169231879.db2.gz SOOLHTSYFHFWIQ-UHFFFAOYSA-N 0 0 249.310 2.184 10 0 BEAERN c1cc2c(o1)CCC[C@@H]2NCc1ccncn1 ZINC000054788876 183353641 /nfs/dbraw/zinc/35/36/41/183353641.db2.gz VHVSVBANZIAJHT-LBPRGKRZSA-N 0 0 229.283 2.237 10 0 BEAERN c1cc2c(c(OC[C@H]3CCOCO3)c1)NCCC2 ZINC000038056286 183365674 /nfs/dbraw/zinc/36/56/74/183365674.db2.gz SBAIBLRZMCJQKK-GFCCVEGCSA-N 0 0 249.310 2.187 10 0 BEAERN CCCNC(=O)Nc1cc(N)ccc1Cl ZINC000036744129 169239425 /nfs/dbraw/zinc/23/94/25/169239425.db2.gz QEDRPZSGVOUIGY-UHFFFAOYSA-N 0 0 227.695 2.454 10 0 BEAERN CCCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000049265043 169239459 /nfs/dbraw/zinc/23/94/59/169239459.db2.gz PYFQYRWHJMMJKE-NSHDSACASA-N 0 0 234.299 2.219 10 0 BEAERN CCCNC(=O)Nc1ccc(C)cc1N ZINC000037064706 169240357 /nfs/dbraw/zinc/24/03/57/169240357.db2.gz DPGKSQYSRSZSJB-UHFFFAOYSA-N 0 0 207.277 2.109 10 0 BEAERN CCCNC(=O)c1c(C)cc(C)n1CC ZINC000035834919 169249628 /nfs/dbraw/zinc/24/96/28/169249628.db2.gz HAWVPQVBEYFALH-UHFFFAOYSA-N 0 0 208.305 2.265 10 0 BEAERN c1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000039628570 183386584 /nfs/dbraw/zinc/38/65/84/183386584.db2.gz NGMJAUIDEFKHKZ-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN CCCN[C@H](CCOC(C)(C)CC)C(=O)OC ZINC000062543154 169289453 /nfs/dbraw/zinc/28/94/53/169289453.db2.gz BTPOCNISGDVYCG-LLVKDONJSA-N 0 0 245.363 2.123 10 0 BEAERN c1ccc(C2(c3nn[nH]n3)CCCCC2)cc1 ZINC000062782392 183389630 /nfs/dbraw/zinc/38/96/30/183389630.db2.gz LFNILSVIWAOIEC-UHFFFAOYSA-N 0 0 228.299 2.450 10 0 BEAERN c1ccc(CCn2nnc3cccnc32)cc1 ZINC000169321765 183396516 /nfs/dbraw/zinc/39/65/16/183396516.db2.gz RMWPZUAQMRAOKE-UHFFFAOYSA-N 0 0 224.267 2.069 10 0 BEAERN CCC[NH2+][C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000062712954 169274013 /nfs/dbraw/zinc/27/40/13/169274013.db2.gz ZHROTBUMCQULFR-SNVBAGLBSA-N 0 0 247.216 2.229 10 0 BEAERN c1nn(Cc2ccccc2)cc1N[C@@H]1CCOC1 ZINC000104064865 183412667 /nfs/dbraw/zinc/41/26/67/183412667.db2.gz NXWISRTUGPNQFL-CYBMUJFWSA-N 0 0 243.310 2.132 10 0 BEAERN CCC[NH2+][C@@H](COCC1CCCCC1)C(=O)[O-] ZINC000052157130 169279869 /nfs/dbraw/zinc/27/98/69/169279869.db2.gz JHNZZDMEXUKSRN-LBPRGKRZSA-N 0 0 243.347 2.036 10 0 BEAERN c1ccc(CONCc2cccnc2)cc1 ZINC000082967080 183407760 /nfs/dbraw/zinc/40/77/60/183407760.db2.gz OWFZMOHCJNJUKQ-UHFFFAOYSA-N 0 0 214.268 2.303 10 0 BEAERN CCCOC(=O)c1c(N)c(F)cc(F)c1F ZINC000061094437 169300932 /nfs/dbraw/zinc/30/09/32/169300932.db2.gz KLUULQVNDSZEFD-UHFFFAOYSA-N 0 0 233.189 2.253 10 0 BEAERN c1ccc(Nc2nnc3ccccn32)cc1 ZINC000008717104 183419234 /nfs/dbraw/zinc/41/92/34/183419234.db2.gz OXWSFEYLUIEUKK-UHFFFAOYSA-N 0 0 210.240 2.473 10 0 BEAERN CCCOCC(=O)NC/C=C/c1ccccc1 ZINC000112584498 169305233 /nfs/dbraw/zinc/30/52/33/169305233.db2.gz LAHXBKBPBAMNJO-RMKNXTFCSA-N 0 0 233.311 2.243 10 0 BEAERN CCCO[C@H]1CCC[N@H+](CCCCC(=O)[O-])C1 ZINC000042423200 169311778 /nfs/dbraw/zinc/31/17/78/169311778.db2.gz WWPDVDZRJISBCE-LBPRGKRZSA-N 0 0 243.347 2.132 10 0 BEAERN CCCO[C@@H]1CCC[N@@H+]([C@@H](CC)CC(=O)[O-])C1 ZINC000062756090 169312386 /nfs/dbraw/zinc/31/23/86/169312386.db2.gz QUBKATBHCQZWMH-NWDGAFQWSA-N 0 0 243.347 2.131 10 0 BEAERN CCCOc1cc2oc(=O)cc(C)c2cc1N ZINC000040166121 169315381 /nfs/dbraw/zinc/31/53/81/169315381.db2.gz ZSKPGWUDYUEYQZ-UHFFFAOYSA-N 0 0 233.267 2.472 10 0 BEAERN CCCNc1cc(CC)nc([C@H]2CCOC2)n1 ZINC000051691631 169293463 /nfs/dbraw/zinc/29/34/63/169293463.db2.gz GGYWPFOUHDGXMR-JTQLQIEISA-N 0 0 235.331 2.365 10 0 BEAERN CCCN[C@]1(C(=O)OC)CCc2ccccc2C1 ZINC000037515818 169293746 /nfs/dbraw/zinc/29/37/46/169293746.db2.gz FQIVXAOJIMSHJM-OAHLLOKOSA-N 0 0 247.338 2.087 10 0 BEAERN CCCNc1ccc(Cl)cc1C(N)=O ZINC000050744576 169294785 /nfs/dbraw/zinc/29/47/85/169294785.db2.gz QOVMDAYWPAAKJH-UHFFFAOYSA-N 0 0 212.680 2.261 10 0 BEAERN CCCNc1cccc(C(=O)N[C@H]2C[C@@H]2C)n1 ZINC000052303670 169294948 /nfs/dbraw/zinc/29/49/48/169294948.db2.gz ZSASQBJSCDJPLL-ONGXEEELSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1cccc(-n2cnnc2)c1 ZINC000036991164 169295026 /nfs/dbraw/zinc/29/50/26/169295026.db2.gz JOKVSGDIFWKKGL-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1ccnc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052303537 169295764 /nfs/dbraw/zinc/29/57/64/169295764.db2.gz RMWUJXSLGLYDER-GXSJLCMTSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1ccnc(C2CCOCC2)n1 ZINC000052177264 169295964 /nfs/dbraw/zinc/29/59/64/169295964.db2.gz RQTKJDMXDGSTGU-UHFFFAOYSA-N 0 0 221.304 2.193 10 0 BEAERN CCCNc1nnc(NCCC)s1 ZINC000206182673 169296326 /nfs/dbraw/zinc/29/63/26/169296326.db2.gz VIFOYIOICXLLLR-UHFFFAOYSA-N 0 0 200.311 2.182 10 0 BEAERN c1nn(Cc2ccccc2)c2ccncc12 ZINC000067175732 183413896 /nfs/dbraw/zinc/41/38/96/183413896.db2.gz QRFMDVKQNODXRU-UHFFFAOYSA-N 0 0 209.252 2.480 10 0 BEAERN CCCOc1ccc([C@@H]([NH2+]CC)C(=O)[O-])cc1 ZINC000052920290 169321757 /nfs/dbraw/zinc/32/17/57/169321757.db2.gz RGCLNHDHGGAJLH-GFCCVEGCSA-N 0 0 237.299 2.211 10 0 BEAERN CCCOc1nc(N(CC)C2CC2)ccc1N ZINC000037079498 169328359 /nfs/dbraw/zinc/32/83/59/169328359.db2.gz DQDVIAOTIAOXQF-UHFFFAOYSA-N 0 0 235.331 2.441 10 0 BEAERN CCC[C@@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000122808955 169347441 /nfs/dbraw/zinc/34/74/41/169347441.db2.gz KIWUVTIIXZVGIZ-GHMZBOCLSA-N 0 0 213.321 2.060 10 0 BEAERN CCC[C@@H](C)Nc1ccc(C(N)=S)cn1 ZINC000019505758 169371351 /nfs/dbraw/zinc/37/13/51/169371351.db2.gz STTMMUKGTBRUFJ-MRVPVSSYSA-N 0 0 223.345 2.316 10 0 BEAERN CCC[C@@H](C)c1nnc2ccc(N)cn21 ZINC000053146397 169375385 /nfs/dbraw/zinc/37/53/85/169375385.db2.gz GFHBVLPZTBOJMF-MRVPVSSYSA-N 0 0 204.277 2.215 10 0 BEAERN CCC[C@@H](O)c1ccc2c(c1)CC(=O)N2C ZINC000040451677 169412513 /nfs/dbraw/zinc/41/25/13/169412513.db2.gz ZAICXRFHWPKJHR-GFCCVEGCSA-N 0 0 219.284 2.039 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccno2)C1 ZINC000079069079 166652710 /nfs/dbraw/zinc/65/27/10/166652710.db2.gz JAPXJOLMPDLUOZ-SECBINFHSA-N 0 0 238.287 2.399 10 0 BEAERN CCC[C@H](C)NC(=O)c1cc(N)ccc1F ZINC000035651376 169492854 /nfs/dbraw/zinc/49/28/54/169492854.db2.gz NLASBJDWFMGZPK-QMMMGPOBSA-N 0 0 224.279 2.326 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(CC)nc2ncnn21 ZINC000301464274 169534709 /nfs/dbraw/zinc/53/47/09/169534709.db2.gz WDUSAVKBIDTFJT-ONGXEEELSA-N 0 0 245.330 2.287 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000183029024 134350615 /nfs/dbraw/zinc/35/06/15/134350615.db2.gz FYUCHECQURKZIJ-BJDJZHNGSA-N 0 0 227.348 2.352 10 0 BEAERN CCCc1c(N)n(C)nc1-c1ccccn1 ZINC000026512092 169560248 /nfs/dbraw/zinc/56/02/48/169560248.db2.gz QLCQYLHOUYFSQP-UHFFFAOYSA-N 0 0 216.288 2.017 10 0 BEAERN CCCc1c(=O)[nH]c2ccccc2c1OC ZINC000196122803 169562565 /nfs/dbraw/zinc/56/25/65/169562565.db2.gz PIOYNRDYKFYMDW-UHFFFAOYSA-N 0 0 217.268 2.489 10 0 BEAERN CCCc1c(CO)nnn1-c1cc(C)cc(C)c1 ZINC000045892190 169561356 /nfs/dbraw/zinc/56/13/56/169561356.db2.gz NTONYOXBULOWPG-UHFFFAOYSA-N 0 0 245.326 2.329 10 0 BEAERN CC(C)(C)OC(=O)c1nc(Cl)ccc1N ZINC000071791369 166674990 /nfs/dbraw/zinc/67/49/90/166674990.db2.gz QANFRDUSAIEFPS-UHFFFAOYSA-N 0 0 228.679 2.273 10 0 BEAERN CCCc1nc(-c2ccsc2N)n[nH]1 ZINC000104347148 169582891 /nfs/dbraw/zinc/58/28/91/169582891.db2.gz HZVXLEUKFZOHKQ-UHFFFAOYSA-N 0 0 208.290 2.068 10 0 BEAERN CCCc1noc(-c2cc(F)ccc2N)n1 ZINC000036915729 169600108 /nfs/dbraw/zinc/60/01/08/169600108.db2.gz YNDHCKPJTMJAJT-UHFFFAOYSA-N 0 0 221.235 2.410 10 0 BEAERN CCCCCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000225652407 134356707 /nfs/dbraw/zinc/35/67/07/134356707.db2.gz ZWGUOXHWAZENET-RYUDHWBXSA-N 0 0 227.348 2.234 10 0 BEAERN CC(C)(C)Sc1ccc(N)c(C(N)=O)c1 ZINC000041046164 166691700 /nfs/dbraw/zinc/69/17/00/166691700.db2.gz GWFVFYIKIPXVNH-UHFFFAOYSA-N 0 0 224.329 2.258 10 0 BEAERN CCN(C(=O)c1cc(C)ccc1N)C(C)C ZINC000053000947 169655690 /nfs/dbraw/zinc/65/56/90/169655690.db2.gz HZGNFIKXRNCCBX-UHFFFAOYSA-N 0 0 220.316 2.448 10 0 BEAERN CCN(C(=O)c1cc(OC)ccc1N)C(C)C ZINC000037846891 169656339 /nfs/dbraw/zinc/65/63/39/169656339.db2.gz NQJOSYMUQILVRY-UHFFFAOYSA-N 0 0 236.315 2.148 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000184871402 134369641 /nfs/dbraw/zinc/36/96/41/134369641.db2.gz RWFLTSANRSDCKT-XQQFMLRXSA-N 0 0 241.375 2.336 10 0 BEAERN CCCC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](C)C1 ZINC000226859023 134370525 /nfs/dbraw/zinc/37/05/25/134370525.db2.gz HIQZWFQQPUSNTI-QWRGUYRKSA-N 0 0 213.321 2.219 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)C(C)C)ccc1O ZINC000226714093 134370694 /nfs/dbraw/zinc/37/06/94/134370694.db2.gz ZMXKKILKBQFLJR-SNVBAGLBSA-N 0 0 221.300 2.475 10 0 BEAERN Cl/C=C/CN1CCO[C@@H](c2nccs2)C1 ZINC000111691576 383877067 /nfs/dbraw/zinc/87/70/67/383877067.db2.gz BDXURRZXBFMPBI-GPYPMJJRSA-N 0 0 244.747 2.269 10 0 BEAERN Nc1nc(Cl)cc(Cc2ccc(F)cc2)n1 ZINC000409434318 383828610 /nfs/dbraw/zinc/82/86/10/383828610.db2.gz VOYXOFIPMAVASD-UHFFFAOYSA-N 0 0 237.665 2.272 10 0 BEAERN CCOc1cc(C(C)=O)cc(C#N)c1[N+](=O)[O-] ZINC000575648781 383913174 /nfs/dbraw/zinc/91/31/74/383913174.db2.gz KYRPFGYRZUPYHU-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN c1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000054767012 383917471 /nfs/dbraw/zinc/91/74/71/383917471.db2.gz MQPRXTVZMICIRI-UHFFFAOYSA-N 0 0 217.316 2.457 10 0 BEAERN O=Cc1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000089065342 383930565 /nfs/dbraw/zinc/93/05/65/383930565.db2.gz GEXUZTOOEUEWQT-UHFFFAOYSA-N 0 0 241.172 2.099 10 0 BEAERN COc1cc(C(F)(F)F)c(C#N)cc1CO ZINC000575648399 383894409 /nfs/dbraw/zinc/89/44/09/383894409.db2.gz MWWJEOKNPASGJA-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCCc1ccc(C(=O)NCC2(C)COC2)cc1 ZINC000112619186 383934056 /nfs/dbraw/zinc/93/40/56/383934056.db2.gz WDCAWTZVBZWQBX-UHFFFAOYSA-N 0 0 247.338 2.405 10 0 BEAERN CCCC(=O)N[C@@H]1COc2ccccc21 ZINC000070266447 383901919 /nfs/dbraw/zinc/90/19/19/383901919.db2.gz XXGMSUGVSAVICW-SNVBAGLBSA-N 0 0 205.257 2.036 10 0 BEAERN Cc1c(N)cccc1S(=O)(=O)C1CCCC1 ZINC000088066174 383980912 /nfs/dbraw/zinc/98/09/12/383980912.db2.gz UUGYYQOJMLDKBL-UHFFFAOYSA-N 0 0 239.340 2.294 10 0 BEAERN O=C(c1ccncc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000336482531 383983415 /nfs/dbraw/zinc/98/34/15/383983415.db2.gz BHFPHAPTXZIYBH-KCJUWKMLSA-N 0 0 236.702 2.360 10 0 BEAERN O=C([O-])[C@H](C1CCCC1)[NH+]1CCCCC1 ZINC000050272948 383988573 /nfs/dbraw/zinc/98/85/73/383988573.db2.gz QBPVJJLOSXYJED-NSHDSACASA-N 0 0 211.305 2.116 10 0 BEAERN Cc1cc(CO)cc(C#N)c1C(F)(F)F ZINC000575649867 383995409 /nfs/dbraw/zinc/99/54/09/383995409.db2.gz VSGCKMIULJQSIF-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN CN(C)c1cc(C(F)(F)F)nc(Cl)n1 ZINC000068580988 383999795 /nfs/dbraw/zinc/99/97/95/383999795.db2.gz UZJMYBPLMQTGFK-UHFFFAOYSA-N 0 0 225.601 2.215 10 0 BEAERN Cc1cn2cnc(Br)c2c(Cl)n1 ZINC000089195450 383941053 /nfs/dbraw/zinc/94/10/53/383941053.db2.gz CZZZWAMBTKTSTM-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Fc1c2nccn2ccc1C(F)(F)F ZINC000089202638 383943440 /nfs/dbraw/zinc/94/34/40/383943440.db2.gz OGTNSHRGRUJEIT-UHFFFAOYSA-N 0 0 204.126 2.492 10 0 BEAERN CCN(CC)c1cc(COC)cc2nccn21 ZINC000089202360 383943674 /nfs/dbraw/zinc/94/36/74/383943674.db2.gz IOMFVZOJQDEOAE-UHFFFAOYSA-N 0 0 233.315 2.327 10 0 BEAERN CCc1ccc([C@@H]2NC[C@@H](C)O[C@H]2C)o1 ZINC000068576059 384000222 /nfs/dbraw/zinc/00/02/22/384000222.db2.gz ZKMFNBKTKXOQST-VDDIYKPWSA-N 0 0 209.289 2.280 10 0 BEAERN CC(C)CS(=O)(=O)c1ccc2c(c1)CCN2 ZINC000089209695 383946899 /nfs/dbraw/zinc/94/68/99/383946899.db2.gz JORRLQXYYFVILQ-UHFFFAOYSA-N 0 0 239.340 2.084 10 0 BEAERN COc1cc(Cl)c(C)c2c(O)c[nH]c21 ZINC000089203893 383947591 /nfs/dbraw/zinc/94/75/91/383947591.db2.gz HEHAHXHKWCSFPG-UHFFFAOYSA-N 0 0 211.648 2.265 10 0 BEAERN CCOc1nc(Cl)nc2n[nH]c(SC)c21 ZINC000089222979 383948425 /nfs/dbraw/zinc/94/84/25/383948425.db2.gz OCMGJCZDJHTMJO-UHFFFAOYSA-N 0 0 244.707 2.127 10 0 BEAERN S=c1[nH]nc2nc(-c3ccccc3)[nH]cc1-2 ZINC000089222697 383948574 /nfs/dbraw/zinc/94/85/74/383948574.db2.gz OICFLMLXFVKYIE-UHFFFAOYSA-N 0 0 228.280 2.309 10 0 BEAERN Cn1ncc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000089219939 383948759 /nfs/dbraw/zinc/94/87/59/383948759.db2.gz VVHWOUHKKOLIBJ-UHFFFAOYSA-N 0 0 233.658 2.068 10 0 BEAERN CCCCc1[nH]nc2c1nc(CC(C)C)[nH]c2=O ZINC000089212113 383949725 /nfs/dbraw/zinc/94/97/25/383949725.db2.gz WWEDJDOAQFDRLN-UHFFFAOYSA-N 0 0 248.330 2.187 10 0 BEAERN Nc1ncc(C(F)(F)F)c2cc[nH]c21 ZINC000089212987 383949763 /nfs/dbraw/zinc/94/97/63/383949763.db2.gz NOQCPVOZSJUYNR-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN Nc1nc2nc(C(F)(F)F)ccc2s1 ZINC000089229629 383952405 /nfs/dbraw/zinc/95/24/05/383952405.db2.gz WSHNVANWUAIXSH-UHFFFAOYSA-N 0 0 219.191 2.292 10 0 BEAERN Nc1ccc(Br)cc1-c1ncno1 ZINC000050208628 383970606 /nfs/dbraw/zinc/97/06/06/383970606.db2.gz GJNYEQAEIDSKBU-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CC(=O)NCCc1ncc(C)n1C1CCCCC1 ZINC000257181343 383975817 /nfs/dbraw/zinc/97/58/17/383975817.db2.gz MXTGNIISGOKSDW-UHFFFAOYSA-N 0 0 249.358 2.375 10 0 BEAERN Cc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1Cl ZINC000003678232 384022575 /nfs/dbraw/zinc/02/25/75/384022575.db2.gz PSADWAFKJVDJGO-VIFPVBQESA-N 0 0 213.664 2.123 10 0 BEAERN CCOCOc1ncccc1Br ZINC000114116176 384023324 /nfs/dbraw/zinc/02/33/24/384023324.db2.gz LXVSUQLXSZJQLI-UHFFFAOYSA-N 0 0 232.077 2.217 10 0 BEAERN CCc1ccc(NN)c(Br)c1 ZINC000003676555 384023570 /nfs/dbraw/zinc/02/35/70/384023570.db2.gz DXIWMLSTDDAQHD-UHFFFAOYSA-N 0 0 215.094 2.297 10 0 BEAERN COc1c(C#N)cc(C(F)(F)F)cc1C=O ZINC000575649889 384006789 /nfs/dbraw/zinc/00/67/89/384006789.db2.gz SKZCQYJFGFFSQB-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN O=C1C[C@@H](c2ccc(F)cc2)SCCN1 ZINC000090397254 384046077 /nfs/dbraw/zinc/04/60/77/384046077.db2.gz UZATXPWWOUSBJL-JTQLQIEISA-N 0 0 225.288 2.120 10 0 BEAERN CSCCC(=O)Nc1cc(Cl)ccn1 ZINC000114325619 384033010 /nfs/dbraw/zinc/03/30/10/384033010.db2.gz ITKRJUSGOGHLIK-UHFFFAOYSA-N 0 0 230.720 2.427 10 0 BEAERN CCOc1ccccc1[C@@H](C)NCc1cn[nH]n1 ZINC000296307618 384035615 /nfs/dbraw/zinc/03/56/15/384035615.db2.gz NEKGHYPUVCDBMP-SNVBAGLBSA-N 0 0 246.314 2.054 10 0 BEAERN CCCCNC(=O)N(C)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004323319 384056683 /nfs/dbraw/zinc/05/66/83/384056683.db2.gz FXSHPYPGPUDCLF-WOPDTQHZSA-N 0 0 222.332 2.393 10 0 BEAERN N#Cc1cc([N+](=O)[O-])cc(C=O)c1C(F)(F)F ZINC000575650963 384058410 /nfs/dbraw/zinc/05/84/10/384058410.db2.gz WCFKSABTFDMKKW-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000115360698 384077147 /nfs/dbraw/zinc/07/71/47/384077147.db2.gz IQDCXINGTRYGKQ-LERXQTSPSA-N 0 0 245.322 2.215 10 0 BEAERN COc1ccc(C=O)c2c1CC(C)(C)O2 ZINC000038860932 384096624 /nfs/dbraw/zinc/09/66/24/384096624.db2.gz WLHHFRFSYMMEDZ-UHFFFAOYSA-N 0 0 206.241 2.221 10 0 BEAERN Cc1[nH]nc2c1[C@@H](O)C[C@H](c1ccco1)C2 ZINC000072415237 384098225 /nfs/dbraw/zinc/09/82/25/384098225.db2.gz WZNMXAFMPVUZEK-SCZZXKLOSA-N 0 0 218.256 2.075 10 0 BEAERN Cc1c([C@@H](C)O)cnn1-c1ccc(F)cc1 ZINC000072415136 384099324 /nfs/dbraw/zinc/09/93/24/384099324.db2.gz URGXYJGLBSYJLV-SECBINFHSA-N 0 0 220.247 2.373 10 0 BEAERN CNc1ncccc1C(=O)OC(C)(C)C ZINC000039087054 384100245 /nfs/dbraw/zinc/10/02/45/384100245.db2.gz ONMWRJQIJQAPQD-UHFFFAOYSA-N 0 0 208.261 2.079 10 0 BEAERN CCc1ccc([C@@H](O)c2ccncc2O)cc1 ZINC000039102842 384103418 /nfs/dbraw/zinc/10/34/18/384103418.db2.gz BZGQYGKEDOQWMU-CQSZACIVSA-N 0 0 229.279 2.431 10 0 BEAERN Nc1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000005162523 384104710 /nfs/dbraw/zinc/10/47/10/384104710.db2.gz DGMUOPTYPWAHII-UHFFFAOYSA-N 0 0 249.291 2.037 10 0 BEAERN c1ccc2c(c1)=N/C1=C3\CC=CC=C3N=CC=CC=21 ZINC000039124325 384105855 /nfs/dbraw/zinc/10/58/55/384105855.db2.gz OYEXKRWKLGUINI-UHFFFAOYSA-N 0 0 244.297 2.209 10 0 BEAERN CC1=COc2nc(-c3ccccc3)cn2N1 ZINC000039109355 384106530 /nfs/dbraw/zinc/10/65/30/384106530.db2.gz BTVJZRDKBTUGBP-UHFFFAOYSA-N 0 0 213.240 2.347 10 0 BEAERN Cc1nc(-c2nc(Br)no2)cs1 ZINC000156583293 384110645 /nfs/dbraw/zinc/11/06/45/384110645.db2.gz RGYTWXKBRNEEBG-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN CSCCC(=O)NC(C)(C)c1nccs1 ZINC000116143612 384117052 /nfs/dbraw/zinc/11/70/52/384117052.db2.gz VJRZLFWZJGGARC-UHFFFAOYSA-N 0 0 244.385 2.248 10 0 BEAERN COC(=O)c1ccc(C(C)(C)C)cc1N ZINC000005481530 384119355 /nfs/dbraw/zinc/11/93/55/384119355.db2.gz YAUGMNFUXAUDGZ-UHFFFAOYSA-N 0 0 207.273 2.353 10 0 BEAERN CC(C)(C)OC(=O)N1Cc2cccnc2C1 ZINC000091353315 384119936 /nfs/dbraw/zinc/11/99/36/384119936.db2.gz NDEUOLKBLJFQCB-UHFFFAOYSA-N 0 0 220.272 2.332 10 0 BEAERN Nc1ccc2[nH]nc(-c3cccc(F)n3)c2c1 ZINC000091364518 384122652 /nfs/dbraw/zinc/12/26/52/384122652.db2.gz UDKGCSSPZXIEFD-UHFFFAOYSA-N 0 0 228.230 2.346 10 0 BEAERN FCCOc1cnnc(Cl)c1Cl ZINC000091366180 384122901 /nfs/dbraw/zinc/12/29/01/384122901.db2.gz SVWIBVOBJWFBLO-UHFFFAOYSA-N 0 0 211.023 2.132 10 0 BEAERN COc1cc(Cl)cc(-c2cc(N)cnn2)c1 ZINC000091366485 384123822 /nfs/dbraw/zinc/12/38/22/384123822.db2.gz MEWLPIYGHDPOJE-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN CC(C)[C@H](O)Cc1nc(-c2ccsc2)no1 ZINC000070998615 384146265 /nfs/dbraw/zinc/14/62/65/384146265.db2.gz PZZCXSRRNJPXFT-SECBINFHSA-N 0 0 238.312 2.358 10 0 BEAERN COC(=O)c1ccc2ccc(CO)cc2c1 ZINC000040443114 384150946 /nfs/dbraw/zinc/15/09/46/384150946.db2.gz RJPDNALCGZSUGO-UHFFFAOYSA-N 0 0 216.236 2.119 10 0 BEAERN CN(C)c1ccnc(-c2cc(N(C)C)ccn2)c1 ZINC000005965417 384140946 /nfs/dbraw/zinc/14/09/46/384140946.db2.gz IHULFFMBCBEJPL-UHFFFAOYSA-N 0 0 242.326 2.276 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC(C)(C)C2)n1 ZINC000336563507 384141650 /nfs/dbraw/zinc/14/16/50/384141650.db2.gz JCLJZYICLXCQHA-UHFFFAOYSA-N 0 0 223.295 2.469 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(-c2ccsc2)no1 ZINC000070998619 384145056 /nfs/dbraw/zinc/14/50/56/384145056.db2.gz PZZCXSRRNJPXFT-VIFPVBQESA-N 0 0 238.312 2.358 10 0 BEAERN FC(F)(F)c1ccccc1N1CCNC1=S ZINC000071611229 384173687 /nfs/dbraw/zinc/17/36/87/384173687.db2.gz PWVQURPGFWUSSZ-UHFFFAOYSA-N 0 0 246.257 2.400 10 0 BEAERN CC(C)(O)c1cnccc1Br ZINC000071617408 384173904 /nfs/dbraw/zinc/17/39/04/384173904.db2.gz OUBKBPIBSKHDQD-UHFFFAOYSA-N 0 0 216.078 2.072 10 0 BEAERN O=c1cc(-c2ccc(C(F)(F)F)cc2)cn[nH]1 ZINC000116934388 384160216 /nfs/dbraw/zinc/16/02/16/384160216.db2.gz XKTPUDPIKVKANM-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN COC(=O)c1[nH]c2ccc(C)cc2c1NC(C)=O ZINC000006749984 384167162 /nfs/dbraw/zinc/16/71/62/384167162.db2.gz RCJPJAYCQIMKEF-UHFFFAOYSA-N 0 0 246.266 2.221 10 0 BEAERN CO[C@H]1CCN(c2nc(Cl)ncc2Cl)C1 ZINC000234995327 384169183 /nfs/dbraw/zinc/16/91/83/384169183.db2.gz MEWFXLHNTYKTHO-LURJTMIESA-N 0 0 248.113 2.009 10 0 BEAERN CCCCCC(=O)Nc1ncc(OCC)cn1 ZINC000071864444 384184264 /nfs/dbraw/zinc/18/42/64/384184264.db2.gz NLTAVHRTHYDNTH-UHFFFAOYSA-N 0 0 237.303 2.394 10 0 BEAERN CC(=O)c1cnc(NC(=O)C2CCCC2)s1 ZINC000118632307 384206921 /nfs/dbraw/zinc/20/69/21/384206921.db2.gz BSTHLUBVRYNUJI-UHFFFAOYSA-N 0 0 238.312 2.474 10 0 BEAERN Cc1cc(Br)sc1CO ZINC000118402669 384199106 /nfs/dbraw/zinc/19/91/06/384199106.db2.gz PZFBIYZQVJDUFH-UHFFFAOYSA-N 0 0 207.092 2.311 10 0 BEAERN CCOCc1ccnc(Br)c1 ZINC000072194569 384199883 /nfs/dbraw/zinc/19/98/83/384199883.db2.gz XBYFQVFVGJPTKC-UHFFFAOYSA-N 0 0 216.078 2.381 10 0 BEAERN COC(=O)[C@H](C)N[C@@H](C)c1ccccc1C ZINC000088162534 384233788 /nfs/dbraw/zinc/23/37/88/384233788.db2.gz AHPWAAINTFLQLH-QWRGUYRKSA-N 0 0 221.300 2.207 10 0 BEAERN CSCCCCNC(=O)c1ccc(C)n1C ZINC000119027327 384227948 /nfs/dbraw/zinc/22/79/48/384227948.db2.gz NRQHQOSDQHDEOV-UHFFFAOYSA-N 0 0 240.372 2.207 10 0 BEAERN CC(C)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000119232727 384251402 /nfs/dbraw/zinc/25/14/02/384251402.db2.gz DRWOLPYDKWYVMG-UHFFFAOYSA-N 0 0 226.707 2.349 10 0 BEAERN CO[C@H](C)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000115276907 384259223 /nfs/dbraw/zinc/25/92/23/384259223.db2.gz JAPXHOLVJDDVBY-TUAOUCFPSA-N 0 0 227.348 2.354 10 0 BEAERN CCOc1ccc(OC(F)F)c(CO)c1F ZINC000575654945 384305853 /nfs/dbraw/zinc/30/58/53/384305853.db2.gz FQAMUYANWQXSMT-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN O=C1CCOC[C@@H]1Cc1cccc(Cl)c1 ZINC000075152374 384319970 /nfs/dbraw/zinc/31/99/70/384319970.db2.gz IDVRABNXDSCEMZ-JTQLQIEISA-N 0 0 224.687 2.488 10 0 BEAERN Nc1nc2c(s1)c(F)cc(F)c2F ZINC000061119422 384282924 /nfs/dbraw/zinc/28/29/24/384282924.db2.gz HUTHHOACNAIFKP-UHFFFAOYSA-N 0 0 204.176 2.296 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000133606277 384303354 /nfs/dbraw/zinc/30/33/54/384303354.db2.gz SCNRIRFJYPDGHY-NWDGAFQWSA-N 0 0 235.327 2.050 10 0 BEAERN CCOc1c(F)cc(CO)cc1OC(F)F ZINC000575655121 384337988 /nfs/dbraw/zinc/33/79/88/384337988.db2.gz IBOBDYXYGVXGCH-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@H]2CCO[C@@H]2C)c1 ZINC000134251565 384342941 /nfs/dbraw/zinc/34/29/41/384342941.db2.gz YDYYIHSVNBCQDD-SKDRFNHKSA-N 0 0 237.274 2.041 10 0 BEAERN CN(Cc1ccc(O)cc1)C(F)(F)F ZINC000095074865 384350272 /nfs/dbraw/zinc/35/02/72/384350272.db2.gz ZONAOTOBCGHAIB-UHFFFAOYSA-N 0 0 205.179 2.344 10 0 BEAERN COCc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000075982006 384351596 /nfs/dbraw/zinc/35/15/96/384351596.db2.gz ZEFTUJAFIHHDLW-GXFFZTMASA-N 0 0 248.326 2.041 10 0 BEAERN O=C(OCc1ccccc1)N1CC[C@@H](CCO)C1 ZINC000095078365 384356260 /nfs/dbraw/zinc/35/62/60/384356260.db2.gz XLFQYNRXWHHTIK-LBPRGKRZSA-N 0 0 249.310 2.028 10 0 BEAERN CCCC(=O)Nc1cccc(N(C)C)c1 ZINC000095081968 384359123 /nfs/dbraw/zinc/35/91/23/384359123.db2.gz VNVWDEXDNBWZID-UHFFFAOYSA-N 0 0 206.289 2.491 10 0 BEAERN CCC1(CNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000134474188 384359622 /nfs/dbraw/zinc/35/96/22/384359622.db2.gz HPOVKLVIZIRTJE-JTQLQIEISA-N 0 0 247.342 2.136 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncnc2sccc21 ZINC000134574179 384367072 /nfs/dbraw/zinc/36/70/72/384367072.db2.gz LTRYVXXGTIRXPW-CBAPKCEASA-N 0 0 235.312 2.281 10 0 BEAERN CO[C@H](c1ccccc1Cl)[C@@H](C)NO ZINC000095347599 384367901 /nfs/dbraw/zinc/36/79/01/384367901.db2.gz RKXBNTAHBSGATO-XCBNKYQSSA-N 0 0 215.680 2.395 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncnc2sccc21 ZINC000134574114 384368181 /nfs/dbraw/zinc/36/81/81/384368181.db2.gz LTRYVXXGTIRXPW-VXNVDRBHSA-N 0 0 235.312 2.281 10 0 BEAERN CC(C)c1nc(C(=O)N[C@H]2C[C@@H]2C)cs1 ZINC000075510074 384327349 /nfs/dbraw/zinc/32/73/49/384327349.db2.gz LQFMUAQSIYDRDG-YUMQZZPRSA-N 0 0 224.329 2.405 10 0 BEAERN CC(C)c1nc(C(=O)N[C@@H]2C[C@@H]2C)cs1 ZINC000075510083 384327636 /nfs/dbraw/zinc/32/76/36/384327636.db2.gz LQFMUAQSIYDRDG-JGVFFNPUSA-N 0 0 224.329 2.405 10 0 BEAERN Cc1ccc(CC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075525962 384328941 /nfs/dbraw/zinc/32/89/41/384328941.db2.gz NMRCHXGTNAHJTN-JQWIXIFHSA-N 0 0 203.285 2.062 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075528614 384329226 /nfs/dbraw/zinc/32/92/26/384329226.db2.gz VTNAAFAAFVAPSP-CMPLNLGQSA-N 0 0 203.285 2.442 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000075526735 384329364 /nfs/dbraw/zinc/32/93/64/384329364.db2.gz YGSIMTUHALAGJX-MFKMUULPSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccnc2ccccc21 ZINC000075525985 384329665 /nfs/dbraw/zinc/32/96/65/384329665.db2.gz FGDNYYSEWFRDIU-RNCFNFMXSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cn(C)c2ccccc12 ZINC000075526297 384329791 /nfs/dbraw/zinc/32/97/91/384329791.db2.gz APZSAHVMDYXYIA-SKDRFNHKSA-N 0 0 228.295 2.317 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1Cl ZINC000075528741 384330077 /nfs/dbraw/zinc/33/00/77/384330077.db2.gz XITJQJJBBFFQOC-XCBNKYQSSA-N 0 0 209.676 2.478 10 0 BEAERN Cc1sc(N(C)C)nc1Br ZINC000095830057 384400192 /nfs/dbraw/zinc/40/01/92/384400192.db2.gz FSFACAZJZFAYRM-UHFFFAOYSA-N 0 0 221.123 2.280 10 0 BEAERN COCOc1cnc(Cl)cc1/C=C\N(C)C ZINC000095828963 384400462 /nfs/dbraw/zinc/40/04/62/384400462.db2.gz PMUBFQAKJVGUSE-PLNGDYQASA-N 0 0 242.706 2.250 10 0 BEAERN FC(F)(F)[C@@]1(NCc2ccccc2)CCOC1 ZINC000095882050 384404606 /nfs/dbraw/zinc/40/46/06/384404606.db2.gz GOWNSQPPHVFBFE-LLVKDONJSA-N 0 0 245.244 2.498 10 0 BEAERN Cc1nc(CN2[C@H](C)COC[C@H]2C)cs1 ZINC000077367619 384404986 /nfs/dbraw/zinc/40/49/86/384404986.db2.gz LDOVJBWESHIGDS-RKDXNWHRSA-N 0 0 226.345 2.061 10 0 BEAERN COc1c(F)cc(OC(F)F)cc1C=O ZINC000575659517 384405150 /nfs/dbraw/zinc/40/51/50/384405150.db2.gz FPGGKMUACKZKBL-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN CC(C)(C)c1cc(N)n(Cc2ccncc2)n1 ZINC000095883679 384405224 /nfs/dbraw/zinc/40/52/24/384405224.db2.gz KUQQPDAUEWBKGD-UHFFFAOYSA-N 0 0 230.315 2.206 10 0 BEAERN CCC[C@@](C)(Br)C(=O)OC ZINC000095883850 384406088 /nfs/dbraw/zinc/40/60/88/384406088.db2.gz PVXRNWXASGBLCN-SSDOTTSWSA-N 0 0 209.083 2.113 10 0 BEAERN COc1c(F)cc(C=O)cc1OC(F)F ZINC000575660331 384408712 /nfs/dbraw/zinc/40/87/12/384408712.db2.gz SUEFWYRNAZLGHO-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN O=c1cc(Br)[nH]c2ccccc12 ZINC000095930246 384409928 /nfs/dbraw/zinc/40/99/28/384409928.db2.gz AVUUEKIQYHFVRT-UHFFFAOYSA-N 0 0 224.057 2.291 10 0 BEAERN C[C@]1(O)C=C(c2ccccc2)C([N+](=O)[O-])=CC1 ZINC000095923664 384410567 /nfs/dbraw/zinc/41/05/67/384410567.db2.gz MKMRNOCQFHSOSO-CYBMUJFWSA-N 0 0 231.251 2.385 10 0 BEAERN CC[C@H]1Cc2ccccc2N(CCO)C1 ZINC000616673840 384412311 /nfs/dbraw/zinc/41/23/11/384412311.db2.gz RBOSGGRPTGADKT-NSHDSACASA-N 0 0 205.301 2.068 10 0 BEAERN COc1cc2[nH][nH]c(=O)c2c(Br)c1 ZINC000014984130 384412280 /nfs/dbraw/zinc/41/22/80/384412280.db2.gz HAWYJWRGMZZUFL-UHFFFAOYSA-N 0 0 243.060 2.040 10 0 BEAERN CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121381326 384415908 /nfs/dbraw/zinc/41/59/08/384415908.db2.gz SWTKOZHWWFSEAJ-NSHDSACASA-N 0 0 219.284 2.425 10 0 BEAERN COC(=O)c1nc2[nH]cccc-2c1C(F)F ZINC000095937125 384417084 /nfs/dbraw/zinc/41/70/84/384417084.db2.gz ZAEWDAUADZUWBE-UHFFFAOYSA-N 0 0 226.182 2.287 10 0 BEAERN COc1c(O)ccc(C)c1OC(F)F ZINC000575664579 384427070 /nfs/dbraw/zinc/42/70/70/384427070.db2.gz IVMDRZYFLRVIBX-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)CCn2cccn2)o1 ZINC000046042852 384421299 /nfs/dbraw/zinc/42/12/99/384421299.db2.gz HWLSEGKBWVFIGI-LLVKDONJSA-N 0 0 247.298 2.052 10 0 BEAERN CCn1ccnc1CS[C@@H](C)COC ZINC000175301622 384423515 /nfs/dbraw/zinc/42/35/15/384423515.db2.gz KMPZDTYGUSIKQU-VIFPVBQESA-N 0 0 214.334 2.171 10 0 BEAERN C[C@H](NC=O)c1nc2ccccc2s1 ZINC000045238143 384383701 /nfs/dbraw/zinc/38/37/01/384383701.db2.gz IRPCRCUTVFMKAU-ZETCQYMHSA-N 0 0 206.270 2.103 10 0 BEAERN CCOc1c(CO)cc(F)cc1OC(F)F ZINC000575657406 384386223 /nfs/dbraw/zinc/38/62/23/384386223.db2.gz VSYASOPMCHZEDS-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Clc1nccn2c1cnc2C1CCOCC1 ZINC000095643143 384388449 /nfs/dbraw/zinc/38/84/49/384388449.db2.gz AHYQSELDEJVKFZ-UHFFFAOYSA-N 0 0 237.690 2.277 10 0 BEAERN CCC[C@](C)(O)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000121909900 384446115 /nfs/dbraw/zinc/44/61/15/384446115.db2.gz FPWWXABXPYZQAQ-MFKMUULPSA-N 0 0 239.315 2.316 10 0 BEAERN CC(=O)c1cnc(NC(=O)CC2CC2)s1 ZINC000135456416 384446074 /nfs/dbraw/zinc/44/60/74/384446074.db2.gz MYDAAERIMVLLLW-UHFFFAOYSA-N 0 0 224.285 2.084 10 0 BEAERN CCOc1cc(O)c(C(F)F)cc1CO ZINC000575665227 384429351 /nfs/dbraw/zinc/42/93/51/384429351.db2.gz CMTCXKHXODMQFW-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN Cc1cccc(N2CCS[C@@H](C)C2)n1 ZINC000157405515 384429922 /nfs/dbraw/zinc/42/99/22/384429922.db2.gz BWSABDRSTZSADK-JTQLQIEISA-N 0 0 208.330 2.332 10 0 BEAERN COc1cc(OC(F)F)cc(CO)c1C ZINC000575664952 384430536 /nfs/dbraw/zinc/43/05/36/384430536.db2.gz MNHFGBRGFHWRIC-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN Nc1ncnc(NCC2(C3CC3)CC2)c1Cl ZINC000236389544 384436901 /nfs/dbraw/zinc/43/69/01/384436901.db2.gz NUCSXNQQCDHHLS-UHFFFAOYSA-N 0 0 238.722 2.314 10 0 BEAERN COc1cc(CO)c(C(F)F)cc1C ZINC000575670652 384458383 /nfs/dbraw/zinc/45/83/83/384458383.db2.gz IIXLFDFHIIJWQP-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN Cc1n[nH]c(C)c1N[C@@H]1CCCSC1 ZINC000061573127 384507521 /nfs/dbraw/zinc/50/75/21/384507521.db2.gz HLDOJVSBHUFTMO-SECBINFHSA-N 0 0 211.334 2.334 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1C(=O)C(C)(C)C(C)(F)F ZINC000334533836 384510077 /nfs/dbraw/zinc/51/00/77/384510077.db2.gz GNNPEXOSSGYBDC-RKDXNWHRSA-N 0 0 249.301 2.040 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C(C)(C)C(C)(F)F ZINC000334533834 384510982 /nfs/dbraw/zinc/51/09/82/384510982.db2.gz GNNPEXOSSGYBDC-DTWKUNHWSA-N 0 0 249.301 2.040 10 0 BEAERN C[C@@H](CCO)NC(=O)c1cccc2ccccc21 ZINC000122518689 384489872 /nfs/dbraw/zinc/48/98/72/384489872.db2.gz MJEJTHRRVGZIQV-NSHDSACASA-N 0 0 243.306 2.341 10 0 BEAERN CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000163721021 384491512 /nfs/dbraw/zinc/49/15/12/384491512.db2.gz FAROQOOSDWJLKR-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN O=C(CC1CCCC1)NCc1cscn1 ZINC000123084202 384534228 /nfs/dbraw/zinc/53/42/28/384534228.db2.gz WFOOMCJOCMAOAE-UHFFFAOYSA-N 0 0 224.329 2.340 10 0 BEAERN CCC1(NC(=O)N[C@@H](C)[C@H]2CCCO2)CCC1 ZINC000175959267 384518901 /nfs/dbraw/zinc/51/89/01/384518901.db2.gz ZEGGEGQNIXXOKG-WDEREUQCSA-N 0 0 240.347 2.186 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000122914054 384521848 /nfs/dbraw/zinc/52/18/48/384521848.db2.gz SRVCYUKUGIWICN-NHCYSSNCSA-N 0 0 203.285 2.315 10 0 BEAERN C[C@H](C(=O)N[C@@H]1C[C@H]1C)c1ccccc1 ZINC000122914289 384523483 /nfs/dbraw/zinc/52/34/83/384523483.db2.gz SRVCYUKUGIWICN-JFGNBEQYSA-N 0 0 203.285 2.315 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC[C@H]2CC=CCC2)O1 ZINC000150939855 384526773 /nfs/dbraw/zinc/52/67/73/384526773.db2.gz MKONHBUHKUSPJM-GRYCIOLGSA-N 0 0 223.316 2.026 10 0 BEAERN CC1(C)CCC(NC(=O)[C@H]2CCCOC2)CC1 ZINC000128231088 384551609 /nfs/dbraw/zinc/55/16/09/384551609.db2.gz KVPBKZKPOJYNAK-NSHDSACASA-N 0 0 239.359 2.498 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)ccc1O ZINC000082726147 384552673 /nfs/dbraw/zinc/55/26/73/384552673.db2.gz WYAZXWRYHRTDET-UHFFFAOYSA-N 0 0 220.146 2.198 10 0 BEAERN COC(=O)c1ccc2nncc(Cl)c2c1 ZINC000097758950 384555300 /nfs/dbraw/zinc/55/53/00/384555300.db2.gz PFXMSPWSFJBMAN-UHFFFAOYSA-N 0 0 222.631 2.070 10 0 BEAERN C[C@H]1C[C@H](O)CN(Cc2cc(F)ccc2F)C1 ZINC000334744955 384560004 /nfs/dbraw/zinc/56/00/04/384560004.db2.gz BMPSLJKDFCONDO-CABZTGNLSA-N 0 0 241.281 2.168 10 0 BEAERN C[C@@H](N)C(=O)Oc1cccc2ccccc21 ZINC000049815803 384568907 /nfs/dbraw/zinc/56/89/07/384568907.db2.gz UCVVDURPZNVMNR-SECBINFHSA-N 0 0 215.252 2.092 10 0 BEAERN CCCCOC(=O)CN(C)Cc1ccc(C)o1 ZINC000049825664 384572561 /nfs/dbraw/zinc/57/25/61/384572561.db2.gz HGMFBZKEEQGNCZ-UHFFFAOYSA-N 0 0 239.315 2.363 10 0 BEAERN COC[C@H](C)C(=O)N1CC2(CC2)c2ccccc21 ZINC000172434624 384585932 /nfs/dbraw/zinc/58/59/32/384585932.db2.gz JXLPBXMYXYJRGT-NSHDSACASA-N 0 0 245.322 2.347 10 0 BEAERN Cc1cccc(CCNC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000151318568 384566227 /nfs/dbraw/zinc/56/62/27/384566227.db2.gz AMACVCJQNVYWSZ-TZMCWYRMSA-N 0 0 247.338 2.221 10 0 BEAERN C[C@H]1C[C@H](O)CN(Cc2c(F)cccc2F)C1 ZINC000334746187 384566473 /nfs/dbraw/zinc/56/64/73/384566473.db2.gz OSPICNSXRBJCEA-UWVGGRQHSA-N 0 0 241.281 2.168 10 0 BEAERN CCN(C)Cc1nc(NC)ccc1Cl ZINC000061630999 384567580 /nfs/dbraw/zinc/56/75/80/384567580.db2.gz UOTPMLCDKJNOFP-UHFFFAOYSA-N 0 0 213.712 2.228 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)C1CCCCC1 ZINC000103363417 384609043 /nfs/dbraw/zinc/60/90/43/384609043.db2.gz JDVDMABLBXQSJN-NSHDSACASA-N 0 0 227.348 2.450 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000103357309 384609451 /nfs/dbraw/zinc/60/94/51/384609451.db2.gz WYWRQPSWOQEQDA-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN CC[C@H]1CCCCN1C(=O)[C@H](C)COC ZINC000103355884 384609638 /nfs/dbraw/zinc/60/96/38/384609638.db2.gz UPNDNQJDTQVHNM-MNOVXSKESA-N 0 0 213.321 2.060 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000103372534 384610830 /nfs/dbraw/zinc/61/08/30/384610830.db2.gz VCJVVZOQNPBRMX-GRYCIOLGSA-N 0 0 227.348 2.306 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000103372530 384613137 /nfs/dbraw/zinc/61/31/37/384613137.db2.gz VCJVVZOQNPBRMX-WOPDTQHZSA-N 0 0 227.348 2.306 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)C1CCCC1 ZINC000103373274 384613188 /nfs/dbraw/zinc/61/31/88/384613188.db2.gz RJIWFVBHODAONO-JTQLQIEISA-N 0 0 213.321 2.060 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000176341164 384616371 /nfs/dbraw/zinc/61/63/71/384616371.db2.gz OZBQJRMAZHSUGJ-VPOLOUISSA-N 0 0 210.321 2.225 10 0 BEAERN Cc1cnc(CCN(C)C(=O)C2CCC2)s1 ZINC000124106827 384616568 /nfs/dbraw/zinc/61/65/68/384616568.db2.gz JPSNYHMKNSMXGY-UHFFFAOYSA-N 0 0 238.356 2.253 10 0 BEAERN CC(C)(C)OC(=O)Nc1nccc(Cl)n1 ZINC000140378012 384619087 /nfs/dbraw/zinc/61/90/87/384619087.db2.gz IBBOTESNTLXAKP-UHFFFAOYSA-N 0 0 229.667 2.477 10 0 BEAERN Cc1ccnc(N[C@H]2CC[C@H](O)CC2)c1 ZINC000100250396 384628345 /nfs/dbraw/zinc/62/83/45/384628345.db2.gz UNBLMDBHIQJQDJ-PHIMTYICSA-N 0 0 206.289 2.105 10 0 BEAERN Cn1nccc1CCC(=O)N1CCCC(C)(C)C1 ZINC000124295346 384629368 /nfs/dbraw/zinc/62/93/68/384629368.db2.gz XFFAPWXDRTUCRI-UHFFFAOYSA-N 0 0 249.358 2.001 10 0 BEAERN CC(C)C(O)=CC(=O)C(F)(F)C(F)F ZINC000100316408 384633924 /nfs/dbraw/zinc/63/39/24/384633924.db2.gz OFBYVTYMKOOEQB-UHFFFAOYSA-N 0 0 214.158 2.071 10 0 BEAERN COC(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000138988945 384596852 /nfs/dbraw/zinc/59/68/52/384596852.db2.gz AWPPMJHAKKFQPI-CQSZACIVSA-N 0 0 247.338 2.463 10 0 BEAERN COC(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000138988827 384596920 /nfs/dbraw/zinc/59/69/20/384596920.db2.gz AWPPMJHAKKFQPI-AWEZNQCLSA-N 0 0 247.338 2.463 10 0 BEAERN CCc1c(C)cnc(COC(C)=O)c1C ZINC000098178520 384598703 /nfs/dbraw/zinc/59/87/03/384598703.db2.gz NRMRYQVVJJSKSO-UHFFFAOYSA-N 0 0 207.273 2.324 10 0 BEAERN COc1cc(C)cc2cc(C)oc(=O)c21 ZINC000098179014 384599600 /nfs/dbraw/zinc/59/96/00/384599600.db2.gz KVBVMPPNGWAEJQ-UHFFFAOYSA-N 0 0 204.225 2.418 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1occc1Br ZINC000081732523 384632358 /nfs/dbraw/zinc/63/23/58/384632358.db2.gz KEVZWIVMDRRNMT-VDTYLAMSSA-N 0 0 244.088 2.180 10 0 BEAERN Cc1ccn2nccc2c1Br ZINC000098179711 384601383 /nfs/dbraw/zinc/60/13/83/384601383.db2.gz LRNLWBOJBGBKSZ-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN COC(=O)c1cc(O)c2cccc(OC)c2c1 ZINC000082319715 384666174 /nfs/dbraw/zinc/66/61/74/384666174.db2.gz XWWNWUWMAGPUKU-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN Cc1cnc(CCN(C)C(=O)c2cc[nH]c2)s1 ZINC000124680549 384666590 /nfs/dbraw/zinc/66/65/90/384666590.db2.gz ASRUCYNQVWKACJ-UHFFFAOYSA-N 0 0 249.339 2.094 10 0 BEAERN Nc1nc(Cl)c2c(n1)-c1ccccc1CC2 ZINC000091690878 384667331 /nfs/dbraw/zinc/66/73/31/384667331.db2.gz OXNAIAJAVFZFAG-UHFFFAOYSA-N 0 0 231.686 2.478 10 0 BEAERN CCOc1cc(CC)c(C(N)=O)cc1C ZINC000575696227 384667959 /nfs/dbraw/zinc/66/79/59/384667959.db2.gz KUBSVEHYJAZQJZ-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CC(C)c1ccc([C@H]2CC(=O)N(C)C2=O)cc1 ZINC000100360224 384636250 /nfs/dbraw/zinc/63/62/50/384636250.db2.gz HXJLNZAWZFZUIZ-GFCCVEGCSA-N 0 0 231.295 2.282 10 0 BEAERN Nc1c([C@@H]2CCCO2)cc2n1CCCC2 ZINC000100442588 384641614 /nfs/dbraw/zinc/64/16/14/384641614.db2.gz WYBUIJKFIMKNOI-NSHDSACASA-N 0 0 206.289 2.258 10 0 BEAERN CCCCCc1sc(N)c(C(N)=O)c1C ZINC000100446025 384641696 /nfs/dbraw/zinc/64/16/96/384641696.db2.gz ARQJLEHAVQKWLZ-UHFFFAOYSA-N 0 0 226.345 2.470 10 0 BEAERN Cc1ccc([C@@H](C)NCc2n[nH]cc2C)o1 ZINC000309833344 384652366 /nfs/dbraw/zinc/65/23/66/384652366.db2.gz ZFHLTJZGIKAUCI-SNVBAGLBSA-N 0 0 219.288 2.470 10 0 BEAERN COc1ncccc1[C@H]1CCCCC1=O ZINC000238434120 384656288 /nfs/dbraw/zinc/65/62/88/384656288.db2.gz RESKRXBADWHWPK-SECBINFHSA-N 0 0 205.257 2.317 10 0 BEAERN CC[C@H](O)Cc1nc(Cc2ccccc2C)no1 ZINC000104065712 384660114 /nfs/dbraw/zinc/66/01/14/384660114.db2.gz KURKLOVGJUMYRE-LBPRGKRZSA-N 0 0 246.310 2.282 10 0 BEAERN CSCc1nc(C)c(C(C)C)c(N)n1 ZINC000061687284 384660769 /nfs/dbraw/zinc/66/07/69/384660769.db2.gz UXTRNRGCSNGJOV-UHFFFAOYSA-N 0 0 211.334 2.354 10 0 BEAERN CCOc1cc(CC)c(C)c(C(N)=O)c1 ZINC000575694599 384661543 /nfs/dbraw/zinc/66/15/43/384661543.db2.gz GMGUUQXYWUVLOS-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CCCc1ncc(C(=O)N[C@H]2C[C@@H]2C)s1 ZINC000173477321 384684454 /nfs/dbraw/zinc/68/44/54/384684454.db2.gz MXLBKPYJNXFYSH-YUMQZZPRSA-N 0 0 224.329 2.234 10 0 BEAERN Nc1ccc(NC(=O)Cc2ccccc2)c(O)c1 ZINC000036476056 384687832 /nfs/dbraw/zinc/68/78/32/384687832.db2.gz DEQKFRRPCORDAY-UHFFFAOYSA-N 0 0 242.278 2.156 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CC2=CCCCC2)C1 ZINC000335359174 384692230 /nfs/dbraw/zinc/69/22/30/384692230.db2.gz PUGDSIHTGGMWJS-DGCLKSJQSA-N 0 0 237.343 2.106 10 0 BEAERN CC1(C)CCN(Cc2ccccc2)CC1=O ZINC000258904933 384694227 /nfs/dbraw/zinc/69/42/27/384694227.db2.gz VICGCTSVFNLVCR-UHFFFAOYSA-N 0 0 217.312 2.488 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000051990200 384708515 /nfs/dbraw/zinc/70/85/15/384708515.db2.gz ZCXFCVPWSMOTGE-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN C[C@H](C(=O)NC1(C)CCC1)c1cccnc1 ZINC000125317150 384712692 /nfs/dbraw/zinc/71/26/92/384712692.db2.gz WBXJIXCTACBCBZ-JTQLQIEISA-N 0 0 218.300 2.244 10 0 BEAERN Cc1c(C[NH2+]CCC2(F)CCC2)cnn1C ZINC000309918805 384714466 /nfs/dbraw/zinc/71/44/66/384714466.db2.gz QUZIGRHNTGJEHP-UHFFFAOYSA-N 0 0 225.311 2.100 10 0 BEAERN O=C(c1ccccc1OC(F)F)N1CCCO1 ZINC000125374171 384715350 /nfs/dbraw/zinc/71/53/50/384715350.db2.gz LUZGWXWZTVQHQB-UHFFFAOYSA-N 0 0 243.209 2.066 10 0 BEAERN CCc1c(C)c(SC)ccc1C(N)=O ZINC000575703539 384775285 /nfs/dbraw/zinc/77/52/85/384775285.db2.gz NJSVYYKDSGGHHC-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCS(=O)(=O)c1ccccc1N[C@H]1C[C@H]1C ZINC000052291051 384728797 /nfs/dbraw/zinc/72/87/97/384728797.db2.gz QVRZTZGIXWIJLW-KOLCDFICSA-N 0 0 239.340 2.301 10 0 BEAERN Cc1c(N)nc(C(F)(F)F)nc1Cl ZINC000143604061 384738491 /nfs/dbraw/zinc/73/84/91/384738491.db2.gz GMBUSHSUFCKFDG-UHFFFAOYSA-N 0 0 211.574 2.039 10 0 BEAERN Cc1ccc(CN(C)Cc2ccnc(N)c2)o1 ZINC000052720307 384743879 /nfs/dbraw/zinc/74/38/79/384743879.db2.gz RJRJEQXDZBWRSH-UHFFFAOYSA-N 0 0 231.299 2.197 10 0 BEAERN CCOC(=O)c1c(Cl)cc(O)cc1OC ZINC000575701388 384749119 /nfs/dbraw/zinc/74/91/19/384749119.db2.gz XVSJRBLBYMJGSX-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN Cc1nc(C)c(C(=O)N[C@H](C)C(C)C)o1 ZINC000174158407 384759509 /nfs/dbraw/zinc/75/95/09/384759509.db2.gz ZACYKCZJNZIZPO-SSDOTTSWSA-N 0 0 210.277 2.066 10 0 BEAERN [O-]c1c(F)cc(CO)cc1C(F)(F)F ZINC000575702685 384759499 /nfs/dbraw/zinc/75/94/99/384759499.db2.gz GLAGGCRTIHYMSB-UHFFFAOYSA-N 0 0 210.126 2.042 10 0 BEAERN CC(C)(C)CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177765205 384760710 /nfs/dbraw/zinc/76/07/10/384760710.db2.gz QDQBQHVRACQLRG-GFCCVEGCSA-N 0 0 249.358 2.310 10 0 BEAERN CCc1c(F)c(SC)ccc1C(N)=O ZINC000575702135 384761180 /nfs/dbraw/zinc/76/11/80/384761180.db2.gz LFMKXKVVNDEQDR-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccccc1F ZINC000103356255 384761719 /nfs/dbraw/zinc/76/17/19/384761719.db2.gz BQPVLOCWTGSCCZ-QMMMGPOBSA-N 0 0 212.220 2.014 10 0 BEAERN CC(C)OC(=O)CC[C@H]1CCCCC1=O ZINC000163816650 384762383 /nfs/dbraw/zinc/76/23/83/384762383.db2.gz QEXCMQDUNXAYFP-SNVBAGLBSA-N 0 0 212.289 2.478 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccccc1F ZINC000103356440 384762689 /nfs/dbraw/zinc/76/26/89/384762689.db2.gz MWUZMAAUBIITHP-MRVPVSSYSA-N 0 0 211.236 2.047 10 0 BEAERN COC[C@H](C)C(=O)OCCCc1ccccc1 ZINC000103356712 384762940 /nfs/dbraw/zinc/76/29/40/384762940.db2.gz XTZXQXLCQHBJDL-LBPRGKRZSA-N 0 0 236.311 2.445 10 0 BEAERN COC[C@H](C)C(=O)Oc1cccc(F)c1 ZINC000103356399 384762964 /nfs/dbraw/zinc/76/29/64/384762964.db2.gz XJFPUVFQMGBREX-QMMMGPOBSA-N 0 0 212.220 2.014 10 0 BEAERN COC[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000103355759 384763626 /nfs/dbraw/zinc/76/36/26/384763626.db2.gz ICUFEEWFCFWXBD-QWRGUYRKSA-N 0 0 233.311 2.247 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(C)c(C)c1 ZINC000103357193 384763667 /nfs/dbraw/zinc/76/36/67/384763667.db2.gz ILVMEPRKEOCSOH-LLVKDONJSA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)cc1C ZINC000103358842 384764931 /nfs/dbraw/zinc/76/49/31/384764931.db2.gz MYRWLIZKYFRPNO-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000103393058 384768217 /nfs/dbraw/zinc/76/82/17/384768217.db2.gz UCUDMQMIRRPVGJ-JTQLQIEISA-N 0 0 237.299 2.225 10 0 BEAERN COc1c(CO)ccc(SC)c1F ZINC000575708270 384816630 /nfs/dbraw/zinc/81/66/30/384816630.db2.gz LWKJKHNAUGANPM-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN Nc1cccc(-c2nccc(Cl)n2)c1 ZINC000072204617 384818971 /nfs/dbraw/zinc/81/89/71/384818971.db2.gz PITDPFSWLJDEES-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CCC1(C(=O)N2C[C@H](C)C[C@@H](O)C2)CCCC1 ZINC000335100396 384819046 /nfs/dbraw/zinc/81/90/46/384819046.db2.gz SOSQRUQIAPGUCK-VXGBXAGGSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1C[C@H]1N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126701363 384824498 /nfs/dbraw/zinc/82/44/98/384824498.db2.gz DXJFHFDSRCJULC-RTXFEEFZSA-N 0 0 227.311 2.497 10 0 BEAERN Nc1nnc(-c2ccc3cnsc3c2)s1 ZINC000084040954 384831744 /nfs/dbraw/zinc/83/17/44/384831744.db2.gz LUMYFDXZNMMKTJ-UHFFFAOYSA-N 0 0 234.309 2.397 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C1C(C)(C)C1(C)C ZINC000336233773 384834217 /nfs/dbraw/zinc/83/42/17/384834217.db2.gz HYFQCDAYPWGVFT-ZJUUUORDSA-N 0 0 239.359 2.040 10 0 BEAERN CCc1ccc(CO)c(OC)c1SC ZINC000575704489 384785892 /nfs/dbraw/zinc/78/58/92/384785892.db2.gz WFYOXSNMSQNGHM-UHFFFAOYSA-N 0 0 212.314 2.472 10 0 BEAERN CCCn1nccc1NC(=O)C1CC=CC1 ZINC000119571950 384790667 /nfs/dbraw/zinc/79/06/67/384790667.db2.gz QGFKSMRSQIKKJW-UHFFFAOYSA-N 0 0 219.288 2.198 10 0 BEAERN O=C(c1cncc(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000336223640 384793959 /nfs/dbraw/zinc/79/39/59/384793959.db2.gz OGACFCRBPAKVBE-KWQFWETISA-N 0 0 236.702 2.360 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000185953695 384795783 /nfs/dbraw/zinc/79/57/83/384795783.db2.gz QFMPNBNQMHZNGX-CHWSQXEVSA-N 0 0 249.358 2.134 10 0 BEAERN CCCCN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000053674137 384800851 /nfs/dbraw/zinc/80/08/51/384800851.db2.gz NEKREBAJFFCNHL-AWEZNQCLSA-N 0 0 246.310 2.254 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CC2CCCCC2)C1 ZINC000335088044 384803550 /nfs/dbraw/zinc/80/35/50/384803550.db2.gz XGSKGGOSGTVIAJ-AAEUAGOBSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cnn(-c2cnc(Br)s2)c1 ZINC000072193212 384810905 /nfs/dbraw/zinc/81/09/05/384810905.db2.gz XTXDBXYAKUPTGA-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN Fc1cc(-n2cc(Br)cn2)ccn1 ZINC000072193404 384812739 /nfs/dbraw/zinc/81/27/39/384812739.db2.gz RTUAGNKWMTZYRR-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN COc1cc(F)c(C(F)(F)F)cc1CO ZINC000575708158 384815191 /nfs/dbraw/zinc/81/51/91/384815191.db2.gz LARQDGDUJZYQJC-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN O=C1c2cccc(O)c2C[C@@H]1Cc1ccncc1 ZINC000013736298 384870808 /nfs/dbraw/zinc/87/08/08/384870808.db2.gz BACTUNZVDVACML-NSHDSACASA-N 0 0 239.274 2.385 10 0 BEAERN Cc1ccnc(N[C@@H](C)COCC(C)C)n1 ZINC000301295942 384872000 /nfs/dbraw/zinc/87/20/00/384872000.db2.gz XLVJVIJIQWHUIZ-NSHDSACASA-N 0 0 223.320 2.258 10 0 BEAERN Cc1ncc(CN2[C@H](C)COC[C@@H]2C)s1 ZINC000077370517 384879728 /nfs/dbraw/zinc/87/97/28/384879728.db2.gz GWYMAQHENXDJBQ-DTORHVGOSA-N 0 0 226.345 2.061 10 0 BEAERN COc1cc(C(F)(F)F)c(N)cc1C(C)=O ZINC000575716629 384880638 /nfs/dbraw/zinc/88/06/38/384880638.db2.gz IJFYFCOEWFHMJP-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105856326 384885350 /nfs/dbraw/zinc/88/53/50/384885350.db2.gz UOYFHQGWIUWEHP-GFCCVEGCSA-N 0 0 235.331 2.155 10 0 BEAERN CCCn1nc(C)c(C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000126849725 384838341 /nfs/dbraw/zinc/83/83/41/384838341.db2.gz PWBWSBRKONWQMS-GZMMTYOYSA-N 0 0 235.331 2.048 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C1CCCCCC1 ZINC000336233835 384840063 /nfs/dbraw/zinc/84/00/63/384840063.db2.gz PXNHNBCKMZKIKP-YPMHNXCESA-N 0 0 239.359 2.329 10 0 BEAERN CCOc1ccc2c(=O)cc(C)[nH]c2c1 ZINC000072237175 384840635 /nfs/dbraw/zinc/84/06/35/384840635.db2.gz PPAWNRTVPYMIDK-UHFFFAOYSA-N 0 0 203.241 2.235 10 0 BEAERN CCOc1cccc2c3[nH][nH]c(=O)c3cnc12 ZINC000072237119 384841006 /nfs/dbraw/zinc/84/10/06/384841006.db2.gz DMAVKMIVPDDEAZ-UHFFFAOYSA-N 0 0 229.239 2.215 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCc1cc(F)ccc1F ZINC000104796107 384844021 /nfs/dbraw/zinc/84/40/21/384844021.db2.gz NRYIDKCUMVGKHN-HQJQHLMTSA-N 0 0 240.253 2.172 10 0 BEAERN CSc1nc(Cl)cc(-n2ccnc2)n1 ZINC000084198945 384846555 /nfs/dbraw/zinc/84/65/55/384846555.db2.gz BWKHBRATJFLINE-UHFFFAOYSA-N 0 0 226.692 2.038 10 0 BEAERN CC(C)(C)c1ncc(Br)c(N)n1 ZINC000084198832 384847798 /nfs/dbraw/zinc/84/77/98/384847798.db2.gz YXACYWXFNXOYOP-UHFFFAOYSA-N 0 0 230.109 2.119 10 0 BEAERN COC(=O)c1cc(O)cc(Cl)c1C ZINC000575712841 384855302 /nfs/dbraw/zinc/85/53/02/384855302.db2.gz OUTBXVFIWKPFKP-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CC(C)[C@H](C)NC(=O)CCc1ccoc1 ZINC000177053751 384856581 /nfs/dbraw/zinc/85/65/81/384856581.db2.gz BLSACVCAMNQPOB-JTQLQIEISA-N 0 0 209.289 2.373 10 0 BEAERN COC(=O)c1c(F)ccc(C(F)(F)F)c1O ZINC000575713921 384858431 /nfs/dbraw/zinc/85/84/31/384858431.db2.gz KZPGICDHVCTYNQ-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COC(=O)Cc1cc(C)c(OC)cc1Cl ZINC000575713704 384859054 /nfs/dbraw/zinc/85/90/54/384859054.db2.gz ZULYYVWTWZXKOM-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN CC(=O)c1c(O)c(N)ccc1C(F)(F)F ZINC000575719437 384890243 /nfs/dbraw/zinc/89/02/43/384890243.db2.gz UYZMZLYDIMNCHW-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CSc1ccc(NC[C@@H](O)CC(C)C)nn1 ZINC000301251965 384864620 /nfs/dbraw/zinc/86/46/20/384864620.db2.gz JJAQTGZPQCMEQR-VIFPVBQESA-N 0 0 241.360 2.017 10 0 BEAERN CSc1ccc(NC[C@H]2CCCOC2)nn1 ZINC000301232329 384868027 /nfs/dbraw/zinc/86/80/27/384868027.db2.gz BGTHVHORFFHEAA-SECBINFHSA-N 0 0 239.344 2.037 10 0 BEAERN Nc1ncnc2sc(-c3ccccc3)nc21 ZINC000026172446 384868131 /nfs/dbraw/zinc/86/81/31/384868131.db2.gz IGAQJGMZPQZSJZ-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN CC[C@H](C)[C@H](O)CNc1ccc(SC)nn1 ZINC000301271139 384868790 /nfs/dbraw/zinc/86/87/90/384868790.db2.gz NMDMPKHMCDFJHH-DTWKUNHWSA-N 0 0 241.360 2.017 10 0 BEAERN Cc1nnc(SC[C@H](O)C(C)(C)C)s1 ZINC000308615177 384869644 /nfs/dbraw/zinc/86/96/44/384869644.db2.gz ZTNVADREVUPUDO-ZETCQYMHSA-N 0 0 232.374 2.346 10 0 BEAERN Cc1cc(Br)c(CO)nc1Cl ZINC000156750015 384950374 /nfs/dbraw/zinc/95/03/74/384950374.db2.gz VJOVYNNBINFVGD-UHFFFAOYSA-N 0 0 236.496 2.298 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000149961723 384954651 /nfs/dbraw/zinc/95/46/51/384954651.db2.gz KJUHLIAZBXKZQD-RNFRBKRXSA-N 0 0 247.220 2.085 10 0 BEAERN Cl/C=C/C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920331 384890623 /nfs/dbraw/zinc/89/06/23/384890623.db2.gz QHTLSMCBVBRVHX-ORCRQEGFSA-N 0 0 239.750 2.348 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nc(CCOC)ns1 ZINC000301529525 384891228 /nfs/dbraw/zinc/89/12/28/384891228.db2.gz HCWGCLKIZXTUPR-IUCAKERBSA-N 0 0 241.360 2.328 10 0 BEAERN COCCc1nsc(N[C@H](C)C(C)C)n1 ZINC000301512956 384891605 /nfs/dbraw/zinc/89/16/05/384891605.db2.gz FQTODGGBMUSESW-MRVPVSSYSA-N 0 0 229.349 2.183 10 0 BEAERN Cc1nnc(N[C@@H](C)COCC(C)C)s1 ZINC000301569664 384893537 /nfs/dbraw/zinc/89/35/37/384893537.db2.gz QSHYCOOJSSHQBT-QMMMGPOBSA-N 0 0 229.349 2.320 10 0 BEAERN CC[C@H](CCO)CNc1ccc(SC)nn1 ZINC000301562862 384895013 /nfs/dbraw/zinc/89/50/13/384895013.db2.gz LDFCXZCNTQYLJT-SECBINFHSA-N 0 0 241.360 2.019 10 0 BEAERN CC1CC(C(=O)NCC2(O)CCCCCC2)C1 ZINC000084766762 384895839 /nfs/dbraw/zinc/89/58/39/384895839.db2.gz OIFMZTUZMRDMNK-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN CC[C@H](C)c1nc(Br)no1 ZINC000156575953 384897435 /nfs/dbraw/zinc/89/74/35/384897435.db2.gz YFQHEKTULBSQKZ-BYPYZUCNSA-N 0 0 205.055 2.346 10 0 BEAERN CCOc1cc(N)c(O)cc1Br ZINC000575722788 384897616 /nfs/dbraw/zinc/89/76/16/384897616.db2.gz MQYDYDDACCHOQI-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOc1cc(Br)c(N)cc1O ZINC000575722400 384898640 /nfs/dbraw/zinc/89/86/40/384898640.db2.gz JWIGCHFBURQGGX-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCN(Cc1ccccc1)C(=O)n1ccnc1 ZINC000106032860 384899055 /nfs/dbraw/zinc/89/90/55/384899055.db2.gz BFNAKORSHNHIBJ-UHFFFAOYSA-N 0 0 229.283 2.373 10 0 BEAERN CC(=O)c1cc(N)c(C(F)(F)F)cc1N ZINC000575723100 384902019 /nfs/dbraw/zinc/90/20/19/384902019.db2.gz OSRVHCRXPSEBNO-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN CCCc1nnc(NC[C@@H]2CCCOC2)s1 ZINC000301648351 384902678 /nfs/dbraw/zinc/90/26/78/384902678.db2.gz FGOTXIXMBABLDO-VIFPVBQESA-N 0 0 241.360 2.329 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncnc2ccccc21 ZINC000150027337 384958760 /nfs/dbraw/zinc/95/87/60/384958760.db2.gz HDANHKZJPCGWAG-MWLCHTKSSA-N 0 0 229.283 2.219 10 0 BEAERN CCOC(=O)Cc1cc(N)c(C)c(CC)c1 ZINC000575724283 384908254 /nfs/dbraw/zinc/90/82/54/384908254.db2.gz DNTFGOCCCNWFJP-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCCc1nnc(NCC[C@@H](O)CC)s1 ZINC000301681628 384908258 /nfs/dbraw/zinc/90/82/58/384908258.db2.gz SDYZQMAMNUPMOI-QMMMGPOBSA-N 0 0 229.349 2.064 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cncc(OCC)n1 ZINC000301701729 384910603 /nfs/dbraw/zinc/91/06/03/384910603.db2.gz QHCYYMKRJRLGTM-UWVGGRQHSA-N 0 0 221.304 2.476 10 0 BEAERN CCOc1cncc(N[C@H](C)C(C)C)n1 ZINC000301697999 384911131 /nfs/dbraw/zinc/91/11/31/384911131.db2.gz OBOBDZNXNSUJLF-SECBINFHSA-N 0 0 209.293 2.332 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nccc(N(C)C)n1 ZINC000301760352 384911287 /nfs/dbraw/zinc/91/12/87/384911287.db2.gz LYBFCNWHAZEEPP-NXEZZACHSA-N 0 0 220.320 2.143 10 0 BEAERN CCOc1cncc(N[C@H]2C[C@H]2CC)n1 ZINC000301707357 384912256 /nfs/dbraw/zinc/91/22/56/384912256.db2.gz SUHBWNIDTZSGEF-BDAKNGLRSA-N 0 0 207.277 2.086 10 0 BEAERN CCOC(=O)c1cc(O)c(N)c(C(F)(F)F)c1 ZINC000575725022 384912607 /nfs/dbraw/zinc/91/26/07/384912607.db2.gz QBUPPNIGBDYHHL-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN COc1c(O)ccc(N)c1C(F)(F)F ZINC000575729097 384916793 /nfs/dbraw/zinc/91/67/93/384916793.db2.gz VQWCZKVAFHCZFU-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1cc(OC(F)(F)F)c(O)cc1N ZINC000575728445 384917107 /nfs/dbraw/zinc/91/71/07/384917107.db2.gz PGDJVRUXPAKWAX-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1c(C)cc(N)cc1OC(F)(F)F ZINC000575728880 384918592 /nfs/dbraw/zinc/91/85/92/384918592.db2.gz GZHVSRSLLZAJBG-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000175522352 384920589 /nfs/dbraw/zinc/92/05/89/384920589.db2.gz JPAANQWIRULVEL-MNOVXSKESA-N 0 0 237.299 2.194 10 0 BEAERN O=C1CCOc2ccc(NCC3CC3)cc21 ZINC000365980631 384920498 /nfs/dbraw/zinc/92/04/98/384920498.db2.gz DNHULJUOLHDNRC-UHFFFAOYSA-N 0 0 217.268 2.474 10 0 BEAERN COC[C@H](C)C(=O)N1CCCc2ccccc2C1 ZINC000106714306 384927251 /nfs/dbraw/zinc/92/72/51/384927251.db2.gz UNSSGHUIELQRFZ-LBPRGKRZSA-N 0 0 247.338 2.244 10 0 BEAERN COc1ccc(OC(F)(F)F)c(CO)c1C ZINC000575730399 384928346 /nfs/dbraw/zinc/92/83/46/384928346.db2.gz VRKGYTTVKJCCJW-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CC(C)c1nc(C(N)=O)c(Cl)nc1Cl ZINC000085223843 384928535 /nfs/dbraw/zinc/92/85/35/384928535.db2.gz UPSCOTILBRDYLU-UHFFFAOYSA-N 0 0 234.086 2.006 10 0 BEAERN Cc1nnc(N[C@@H]2CCCCC[C@H]2CO)s1 ZINC000301808162 384929029 /nfs/dbraw/zinc/92/90/29/384929029.db2.gz ZBWBGIXJQHSWSI-VHSXEESVSA-N 0 0 241.360 2.200 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCc2ccccc2C1 ZINC000106714308 384929379 /nfs/dbraw/zinc/92/93/79/384929379.db2.gz UNSSGHUIELQRFZ-GFCCVEGCSA-N 0 0 247.338 2.244 10 0 BEAERN CCOC(=O)C(=O)c1cccc(F)c1Cl ZINC000258322653 384931195 /nfs/dbraw/zinc/93/11/95/384931195.db2.gz CFDJTSPNKOANMN-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCO[C@H]2C)c(F)c1 ZINC000149545875 384934525 /nfs/dbraw/zinc/93/45/25/384934525.db2.gz VUFYGRKMLUGING-CABZTGNLSA-N 0 0 237.274 2.041 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2ncc(C)cn2)C1 ZINC000301843698 384935899 /nfs/dbraw/zinc/93/58/99/384935899.db2.gz RRCQAJHDQLDFHS-QWRGUYRKSA-N 0 0 221.304 2.155 10 0 BEAERN N#Cc1c(F)c(C(F)(F)F)ccc1CO ZINC000575646934 384936462 /nfs/dbraw/zinc/93/64/62/384936462.db2.gz KIAVTENZQBYONK-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCCc1nnc(N[C@H]2CCO[C@@H]2C)s1 ZINC000301901470 384945787 /nfs/dbraw/zinc/94/57/87/384945787.db2.gz NHVWBBFHVKIBNE-SFYZADRCSA-N 0 0 227.333 2.080 10 0 BEAERN CC(C)COCCNc1ncc(Cl)cn1 ZINC000129081272 384973422 /nfs/dbraw/zinc/97/34/22/384973422.db2.gz NRJPPWJKJXDVLH-UHFFFAOYSA-N 0 0 229.711 2.215 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nccnc1N(C)C ZINC000302197537 384976792 /nfs/dbraw/zinc/97/67/92/384976792.db2.gz PKQTVZVNKJFRCH-ZJUUUORDSA-N 0 0 220.320 2.143 10 0 BEAERN CN(C)c1nccnc1NCc1ccsc1 ZINC000302177548 384978254 /nfs/dbraw/zinc/97/82/54/384978254.db2.gz CPSJSKSASAYKIQ-UHFFFAOYSA-N 0 0 234.328 2.216 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000644580432 384987346 /nfs/dbraw/zinc/98/73/46/384987346.db2.gz KJBDFBVRMFWHDG-XQHKEYJVSA-N 0 0 239.359 2.232 10 0 BEAERN Clc1cncc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)n1 ZINC000302575228 385000071 /nfs/dbraw/zinc/00/00/71/385000071.db2.gz RJZHNZCUFSDGPU-YIZRAAEISA-N 0 0 239.706 2.109 10 0 BEAERN Cn1cc(CC(=O)NC2CCC(C)(C)CC2)cn1 ZINC000128228703 385016118 /nfs/dbraw/zinc/01/61/18/385016118.db2.gz UONZVQFVAZERGV-UHFFFAOYSA-N 0 0 249.358 2.048 10 0 BEAERN Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)co1 ZINC000188424235 385047512 /nfs/dbraw/zinc/04/75/12/385047512.db2.gz HYBZORLAOFAVQH-OLZOCXBDSA-N 0 0 249.310 2.372 10 0 BEAERN Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)co1 ZINC000188424214 385048458 /nfs/dbraw/zinc/04/84/58/385048458.db2.gz HYBZORLAOFAVQH-QWHCGFSZSA-N 0 0 249.310 2.372 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(F)cc1F ZINC000176278260 385056046 /nfs/dbraw/zinc/05/60/46/385056046.db2.gz AHEDFFMTUSYVPR-WRWORJQWSA-N 0 0 225.238 2.411 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000188977431 385058068 /nfs/dbraw/zinc/05/80/68/385058068.db2.gz DWCJJHILIRCWFJ-CHWSQXEVSA-N 0 0 249.358 2.310 10 0 BEAERN CO[C@H](C)c1nsc(N[C@H]2C[C@@H]2C)n1 ZINC000306530693 385063548 /nfs/dbraw/zinc/06/35/48/385063548.db2.gz DRSUFSPYWFGDPW-XVMARJQXSA-N 0 0 213.306 2.066 10 0 BEAERN O=c1[nH]cc(-c2cccc(Br)c2)[nH]1 ZINC000165038196 385064073 /nfs/dbraw/zinc/06/40/73/385064073.db2.gz UUWFNAFSAAYHPO-UHFFFAOYSA-N 0 0 239.072 2.133 10 0 BEAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccco1 ZINC000164749149 385037876 /nfs/dbraw/zinc/03/78/76/385037876.db2.gz LMVDKZQEYXSSIS-ZJUUUORDSA-N 0 0 232.287 2.057 10 0 BEAERN O=C1CCC[C@@H](c2ccc(F)cc2)CN1 ZINC000059190473 385040644 /nfs/dbraw/zinc/04/06/44/385040644.db2.gz BZKXEPQEBORQRZ-SNVBAGLBSA-N 0 0 207.248 2.209 10 0 BEAERN Cn1nccc1CCC(=O)N[C@@H]1CCCC1(C)C ZINC000128526238 385044034 /nfs/dbraw/zinc/04/40/34/385044034.db2.gz NFTVBVJFSBEAGC-GFCCVEGCSA-N 0 0 249.358 2.048 10 0 BEAERN Cc1cnc(NC(=O)[C@H]2CCCO[C@@H]2C)s1 ZINC000188974153 385109664 /nfs/dbraw/zinc/10/96/64/385109664.db2.gz MQFXOFBHECKYMV-BDAKNGLRSA-N 0 0 240.328 2.205 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1ccc(F)cc1F ZINC000294690218 385116516 /nfs/dbraw/zinc/11/65/16/385116516.db2.gz AOEBMJUXZHMICB-TVQRCGJNSA-N 0 0 241.281 2.310 10 0 BEAERN Cn1cc([C@@H]2CCCN2c2ccccn2)cn1 ZINC000108946217 385118298 /nfs/dbraw/zinc/11/82/98/385118298.db2.gz IWIGJSVPNSSYHF-LBPRGKRZSA-N 0 0 228.299 2.157 10 0 BEAERN COc1ncccc1N[C@H]1CCCSC1 ZINC000061577482 385123285 /nfs/dbraw/zinc/12/32/85/385123285.db2.gz FKXHXBAVMNFRMM-VIFPVBQESA-N 0 0 224.329 2.398 10 0 BEAERN CNc1cc(Cl)ccc1C(N)=S ZINC000062787879 385186747 /nfs/dbraw/zinc/18/67/47/385186747.db2.gz FAPNFARCULRBGK-UHFFFAOYSA-N 0 0 200.694 2.016 10 0 BEAERN CCCCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177200306 385197802 /nfs/dbraw/zinc/19/78/02/385197802.db2.gz AZQAEYSLVUYYDV-ZDUSSCGKSA-N 0 0 249.358 2.373 10 0 BEAERN CCCCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177200296 385198351 /nfs/dbraw/zinc/19/83/51/385198351.db2.gz AZQAEYSLVUYYDV-CYBMUJFWSA-N 0 0 249.358 2.373 10 0 BEAERN c1ccc2c(c1)ncnc2N[C@@H]1CCCOC1 ZINC000109548363 385173142 /nfs/dbraw/zinc/17/31/42/385173142.db2.gz XFGZCWUMVOQCEQ-SNVBAGLBSA-N 0 0 229.283 2.221 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@@H]2CCCOC2)c1 ZINC000109548466 385173883 /nfs/dbraw/zinc/17/38/83/385173883.db2.gz LRSCIYZNNKSCGP-SNVBAGLBSA-N 0 0 237.274 2.043 10 0 BEAERN CCOc1cc(O)c(C#N)c(OCC)c1 ZINC000575647135 385207195 /nfs/dbraw/zinc/20/71/95/385207195.db2.gz CXPQOIHIQGKFCQ-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1F ZINC000063061270 385208207 /nfs/dbraw/zinc/20/82/07/385208207.db2.gz MASNVPAVFIQPCT-KCJUWKMLSA-N 0 0 207.248 2.272 10 0 BEAERN O=C1CCCCCc2ccc(cc2)CCN1 ZINC000238580091 385257500 /nfs/dbraw/zinc/25/75/00/385257500.db2.gz MYAKWXVYJDUVOZ-UHFFFAOYSA-N 0 0 217.312 2.462 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccco1 ZINC000190607242 385250519 /nfs/dbraw/zinc/25/05/19/385250519.db2.gz CJVQMZMXDYCBJW-CMPLNLGQSA-N 0 0 237.299 2.053 10 0 BEAERN COc1cc(Cl)cc(Cl)c1NN ZINC000033610212 385253489 /nfs/dbraw/zinc/25/34/89/385253489.db2.gz RSXGDQAKGGEHBX-UHFFFAOYSA-N 0 0 207.060 2.288 10 0 BEAERN CCC(CC)(CC)NC(=O)[C@@H](C)COC ZINC000152704349 385204959 /nfs/dbraw/zinc/20/49/59/385204959.db2.gz PPVTWPQDXDEVKI-JTQLQIEISA-N 0 0 215.337 2.354 10 0 BEAERN O=C(c1ccc(F)cc1)N1CCC[C@@]12CCOC2 ZINC000310892749 385205198 /nfs/dbraw/zinc/20/51/98/385205198.db2.gz ZKIWQJYLUBAMEC-AWEZNQCLSA-N 0 0 249.285 2.221 10 0 BEAERN Cc1ccc(NC2CCC3(CC2)OCCO3)cn1 ZINC000154240312 385310110 /nfs/dbraw/zinc/31/01/10/385310110.db2.gz DUJQNMQAPNPNNT-UHFFFAOYSA-N 0 0 248.326 2.488 10 0 BEAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccon1 ZINC000408056620 385310257 /nfs/dbraw/zinc/31/02/57/385310257.db2.gz JQEWRSMTWYYJTF-SVDPJWKOSA-N 0 0 234.299 2.288 10 0 BEAERN C[C@@H](CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000157944080 385315908 /nfs/dbraw/zinc/31/59/08/385315908.db2.gz NDZBZXAPCYXQOF-ZETCQYMHSA-N 0 0 238.237 2.306 10 0 BEAERN CCCCOC[C@H](O)CN1CCc2ccccc21 ZINC000033674602 385261130 /nfs/dbraw/zinc/26/11/30/385261130.db2.gz HKFNAOQJKVWBNH-CQSZACIVSA-N 0 0 249.354 2.227 10 0 BEAERN CCc1cc(C(C)=O)c(OC)cc1C#N ZINC000575647325 385264747 /nfs/dbraw/zinc/26/47/47/385264747.db2.gz RHMIORUIFHKRMG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@@H]2CC[C@@H](C)C2)c1 ZINC000130585094 385265453 /nfs/dbraw/zinc/26/54/53/385265453.db2.gz CNYKMLUQOGZBRH-DGCLKSJQSA-N 0 0 249.358 2.134 10 0 BEAERN Cc1cc(C(=O)NCCC2=CCCC2)no1 ZINC000131424439 385331560 /nfs/dbraw/zinc/33/15/60/385331560.db2.gz HIVUBJOQJQJVPD-UHFFFAOYSA-N 0 0 220.272 2.213 10 0 BEAERN C[C@H](NC(=O)C1CCCC1)c1ccon1 ZINC000408057600 385331853 /nfs/dbraw/zinc/33/18/53/385331853.db2.gz WWKXJLBIQWMTPS-QMMMGPOBSA-N 0 0 208.261 2.042 10 0 BEAERN COC(=O)C(C)(C)Cc1cccc(O)c1 ZINC000149311665 385334028 /nfs/dbraw/zinc/33/40/28/385334028.db2.gz DFVHHNFVMMCKAK-UHFFFAOYSA-N 0 0 208.257 2.134 10 0 BEAERN COC[C@H](C)C(=O)N1CCOc2cc(C)ccc21 ZINC000154811742 385358100 /nfs/dbraw/zinc/35/81/00/385358100.db2.gz UTZPHASDXSFWNX-NSHDSACASA-N 0 0 249.310 2.003 10 0 BEAERN CC(C)n1nc(-c2ccncc2)cc1N ZINC000168483046 385372721 /nfs/dbraw/zinc/37/27/21/385372721.db2.gz GLAVLSOJBRVVED-UHFFFAOYSA-N 0 0 202.261 2.108 10 0 BEAERN C[C@H](C(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000178459408 385376398 /nfs/dbraw/zinc/37/63/98/385376398.db2.gz VJMPROLGQIFVKS-CABZTGNLSA-N 0 0 231.295 2.282 10 0 BEAERN C[C@@H]1CN(c2ccnc(Cl)c2)C[C@@H](C)O1 ZINC000223582442 385325017 /nfs/dbraw/zinc/32/50/17/385325017.db2.gz ZBUKKTPFSDDMFI-RKDXNWHRSA-N 0 0 226.707 2.349 10 0 BEAERN CCc1cc(C(=O)NCCC2=CCCC2)[nH]n1 ZINC000131272906 385325307 /nfs/dbraw/zinc/32/53/07/385325307.db2.gz RQFMMRMLYQBZTQ-UHFFFAOYSA-N 0 0 233.315 2.202 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1Cc1cccc(F)c1F ZINC000295106573 385441827 /nfs/dbraw/zinc/44/18/27/385441827.db2.gz VPZNBLORDFUHOY-CABZTGNLSA-N 0 0 241.281 2.310 10 0 BEAERN CC(=O)Nc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000170822862 385450040 /nfs/dbraw/zinc/45/00/40/385450040.db2.gz ITHOVKFRVCNQJY-PELKAZGASA-N 0 0 247.298 2.175 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1nnc(C(F)F)s1 ZINC000170827679 385450062 /nfs/dbraw/zinc/45/00/62/385450062.db2.gz JNTCCSUMTZXETM-DMTCNVIQSA-N 0 0 248.258 2.006 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000408027346 385432155 /nfs/dbraw/zinc/43/21/55/385432155.db2.gz KOOJHNJVHOGPNA-NOOOWODRSA-N 0 0 240.347 2.042 10 0 BEAERN Cc1ccncc1NCC[C@H]1CCOC1 ZINC000309139353 385432343 /nfs/dbraw/zinc/43/23/43/385432343.db2.gz GTYKFDRLSZQWSX-NSHDSACASA-N 0 0 206.289 2.229 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2CC[C@@H]2C)n1 ZINC000309152974 385436846 /nfs/dbraw/zinc/43/68/46/385436846.db2.gz WSURVLOUGNTIAL-IMTBSYHQSA-N 0 0 209.268 2.443 10 0 BEAERN CC(=O)c1cccc(NC(=O)[C@H]2OCC[C@H]2C)c1 ZINC000156107806 385436896 /nfs/dbraw/zinc/43/68/96/385436896.db2.gz FIKPXBRSQKYEMM-RNCFNFMXSA-N 0 0 247.294 2.253 10 0 BEAERN CSCCn1c2ccccc2nc1[C@H](C)O ZINC000171037514 385465011 /nfs/dbraw/zinc/46/50/11/385465011.db2.gz ATDMEDKKODXXMJ-VIFPVBQESA-N 0 0 236.340 2.453 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCOC2)o1 ZINC000171030456 385465041 /nfs/dbraw/zinc/46/50/41/385465041.db2.gz BYGAZWZXKZMICX-MNOVXSKESA-N 0 0 237.299 2.192 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000171062473 385466332 /nfs/dbraw/zinc/46/63/32/385466332.db2.gz DLUTVCKZDNAPFL-APPZFPTMSA-N 0 0 221.325 2.375 10 0 BEAERN Cc1nscc1C(=O)N[C@@H](C)C(C)C ZINC000179492739 385470001 /nfs/dbraw/zinc/47/00/01/385470001.db2.gz LJQZUCHCLQPBEB-ZETCQYMHSA-N 0 0 212.318 2.226 10 0 BEAERN CCC[C@H](C(=O)Nc1cc(C)ccn1)[NH+](C)C ZINC000156831639 385470452 /nfs/dbraw/zinc/47/04/52/385470452.db2.gz WFSOHRHPUFHMMR-LLVKDONJSA-N 0 0 235.331 2.059 10 0 BEAERN O=C1C[C@@H]2[C@@H]3C=C(Br)[C@@H]4[C@@H]3C[C@@H]2[C@@H]14 ZINC000195529108 385470621 /nfs/dbraw/zinc/47/06/21/385470621.db2.gz WAWOSPOONYNJAN-LSUQDKFDSA-N 0 0 239.112 2.366 10 0 BEAERN CCC[C@@H](OC)c1noc(C[C@H](O)C(C)C)n1 ZINC000156899515 385472438 /nfs/dbraw/zinc/47/24/38/385472438.db2.gz SWVVHNHDBHWBGX-VHSXEESVSA-N 0 0 242.319 2.117 10 0 BEAERN Cn1cc([C@@H]2CCCN2CC(F)(F)F)cn1 ZINC000171412088 385482401 /nfs/dbraw/zinc/48/24/01/385482401.db2.gz HTJOLRMNESKTGO-VIFPVBQESA-N 0 0 233.237 2.119 10 0 BEAERN Brc1noc(Cc2ccsc2)n1 ZINC000156575039 385459652 /nfs/dbraw/zinc/45/96/52/385459652.db2.gz NFYGRMOHJAPZRQ-UHFFFAOYSA-N 0 0 245.101 2.484 10 0 BEAERN CCCc1cc(NC(=O)c2ccc(C)nc2)n[nH]1 ZINC000109912122 385491176 /nfs/dbraw/zinc/49/11/76/385491176.db2.gz ALQWLCYUCPZJRA-UHFFFAOYSA-N 0 0 244.298 2.318 10 0 BEAERN O=c1[nH]c2cccc(Cl)c2n1C1CC1 ZINC000257912637 385512245 /nfs/dbraw/zinc/51/22/45/385512245.db2.gz MIFGPURZQSIMJS-UHFFFAOYSA-N 0 0 208.648 2.318 10 0 BEAERN COC[C@H](C)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000150832246 134455662 /nfs/dbraw/zinc/45/56/62/134455662.db2.gz MLDXINVVGJJJCT-SRVKXCTJSA-N 0 0 227.348 2.306 10 0 BEAERN CCCn1cc(C(=O)N[C@@H](C)C(C)C)cn1 ZINC000180513634 385526718 /nfs/dbraw/zinc/52/67/18/385526718.db2.gz UOZAUHYRJAIVOX-JTQLQIEISA-N 0 0 223.320 2.067 10 0 BEAERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)[C@@H](C)C2 ZINC000181333655 385571182 /nfs/dbraw/zinc/57/11/82/385571182.db2.gz LMONNGPYPYXIFK-GWCFXTLKSA-N 0 0 232.327 2.500 10 0 BEAERN COc1ccc2c(c1)[C@]1(C)CC(=O)[C@H]1C2 ZINC000196456783 385583873 /nfs/dbraw/zinc/58/38/73/385583873.db2.gz AZYUAAQUVFMTSR-YPMHNXCESA-N 0 0 202.253 2.098 10 0 BEAERN CCOC(=O)c1cc(N)c(O)c(C(F)(F)F)c1 ZINC000259957488 385616115 /nfs/dbraw/zinc/61/61/15/385616115.db2.gz JFCUQHVGUNXQEM-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000336682651 385642049 /nfs/dbraw/zinc/64/20/49/385642049.db2.gz YNGCAFTWHTUGPY-DCAQKATOSA-N 0 0 224.304 2.201 10 0 BEAERN COc1c(CNc2ncccc2C)c(C)nn1C ZINC000182191597 385642975 /nfs/dbraw/zinc/64/29/75/385642975.db2.gz CUFYFLRDSXQALC-UHFFFAOYSA-N 0 0 246.314 2.053 10 0 BEAERN C[C@@H](Nc1ncccc1F)[C@H]1CCCO1 ZINC000054700593 385643142 /nfs/dbraw/zinc/64/31/42/385643142.db2.gz FGIJJRHMHGHPPL-PSASIEDQSA-N 0 0 210.252 2.200 10 0 BEAERN CCOC(=O)c1cc(F)c(OC)c(OC)c1 ZINC000260013898 385649737 /nfs/dbraw/zinc/64/97/37/385649737.db2.gz FXKYOUWRQVYSJG-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN COC(=O)c1cc(OC)c(Cl)cc1C ZINC000260099685 385672371 /nfs/dbraw/zinc/67/23/71/385672371.db2.gz RHPCWBSBAPLWCB-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CCC1=Cc2cccc(OC)c2O[C@H]1O ZINC000211674065 385689329 /nfs/dbraw/zinc/68/93/29/385689329.db2.gz QSUDYSPCCCXTEI-GFCCVEGCSA-N 0 0 206.241 2.199 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(O)c(Cl)c1 ZINC000182866144 385713911 /nfs/dbraw/zinc/71/39/11/385713911.db2.gz HKNTWBKIAJXYQG-SSDOTTSWSA-N 0 0 243.690 2.267 10 0 BEAERN CC1(C)CCC(CSC[C@H](O)CO)CC1 ZINC000185694425 385736331 /nfs/dbraw/zinc/73/63/31/385736331.db2.gz CVUCNSGRTNPZAW-LLVKDONJSA-N 0 0 232.389 2.289 10 0 BEAERN CC[C@@H](Cc1ccc(OC)cc1)C(=O)OC ZINC000259201398 385744335 /nfs/dbraw/zinc/74/43/35/385744335.db2.gz GBABIIWZJFJAOR-NSHDSACASA-N 0 0 222.284 2.437 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H](C)COC(C)C)o1 ZINC000336737475 385768214 /nfs/dbraw/zinc/76/82/14/385768214.db2.gz JKUVPPAHKFYRJL-ONGXEEELSA-N 0 0 226.320 2.447 10 0 BEAERN COc1c(CO)cc(F)cc1SC ZINC000258177250 385776585 /nfs/dbraw/zinc/77/65/85/385776585.db2.gz QOOXSIVQNWUFOE-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COC(=O)c1sc(N[C@H]2C[C@@H]2C)nc1Cl ZINC000052297899 385721144 /nfs/dbraw/zinc/72/11/44/385721144.db2.gz DBRGLMIPBIVRCF-WHFBIAKZSA-N 0 0 246.719 2.403 10 0 BEAERN COC(=O)c1c(Cl)c(F)ccc1OC ZINC000261231690 385807827 /nfs/dbraw/zinc/80/78/27/385807827.db2.gz SYHPHEHDRSYORI-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CCc1cc(CC)nc(N[C@@H]2C[C@H]2C)n1 ZINC000336716058 385814404 /nfs/dbraw/zinc/81/44/04/385814404.db2.gz WYLBWOHFMSHZLC-LDYMZIIASA-N 0 0 205.305 2.422 10 0 BEAERN CSCCC(=O)N[C@@H](C)CC(C)C ZINC000121560365 385852123 /nfs/dbraw/zinc/85/21/23/385852123.db2.gz UBBHSKRMAHSWJI-VIFPVBQESA-N 0 0 203.351 2.290 10 0 BEAERN CC1(C)CC(C(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000336572976 385891725 /nfs/dbraw/zinc/89/17/25/385891725.db2.gz ZGXOUVJTMWURRM-CMPLNLGQSA-N 0 0 239.359 2.090 10 0 BEAERN O=C(c1cnns1)c1ccsc1Cl ZINC000307094557 385905416 /nfs/dbraw/zinc/90/54/16/385905416.db2.gz FHEYUCFTZCDYNB-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN CCN(C(=O)NCC1(C)COC1)[C@@H](C)C(C)C ZINC000112753600 385908617 /nfs/dbraw/zinc/90/86/17/385908617.db2.gz WJTMJCYFDAHGKT-NSHDSACASA-N 0 0 242.363 2.099 10 0 BEAERN CSCCOCCOc1ccccc1 ZINC000121970424 385875576 /nfs/dbraw/zinc/87/55/76/385875576.db2.gz RTEASSDUFCEVLX-UHFFFAOYSA-N 0 0 212.314 2.445 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C(C)(C)C(C)(F)F ZINC000334533831 385944036 /nfs/dbraw/zinc/94/40/36/385944036.db2.gz GNNPEXOSSGYBDC-BDAKNGLRSA-N 0 0 249.301 2.040 10 0 BEAERN CCOc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ncn1 ZINC000645383681 385947696 /nfs/dbraw/zinc/94/76/96/385947696.db2.gz UWDPTVODNSGXEE-HBNTYKKESA-N 0 0 233.315 2.476 10 0 BEAERN CNc1ccccc1C(=O)NCc1cscn1 ZINC000111630681 385970000 /nfs/dbraw/zinc/97/00/00/385970000.db2.gz AUDXFEMHRGOGCS-UHFFFAOYSA-N 0 0 247.323 2.115 10 0 BEAERN CC(C)c1c[nH]c(=NC[C@@H]2CCC[C@@H]2O)s1 ZINC000336747375 385971914 /nfs/dbraw/zinc/97/19/14/385971914.db2.gz RXLDPEXKQZNGBT-UWVGGRQHSA-N 0 0 240.372 2.261 10 0 BEAERN COC(=O)Cc1cc(F)cc(Cl)c1OC ZINC000261202869 386014481 /nfs/dbraw/zinc/01/44/81/386014481.db2.gz COXQTGGAJXBTRT-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000345180973 386048917 /nfs/dbraw/zinc/04/89/17/386048917.db2.gz AQGXAXICFGEBKD-IJLUTSLNSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1C(C)(C)O ZINC000345180975 386049934 /nfs/dbraw/zinc/04/99/34/386049934.db2.gz AQGXAXICFGEBKD-WOPDTQHZSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H]1CN(C(=O)c2sccc2F)CCS1 ZINC000335079287 386051602 /nfs/dbraw/zinc/05/16/02/386051602.db2.gz DBQSIKIIAQJWCU-ZETCQYMHSA-N 0 0 245.344 2.465 10 0 BEAERN CC(C)C(C)(C)C[NH2+]Cc1nccn1C ZINC000218976648 386108892 /nfs/dbraw/zinc/10/88/92/386108892.db2.gz XGUGMXKRINBMOJ-UHFFFAOYSA-N 0 0 209.337 2.192 10 0 BEAERN CSCC(=O)Nc1cc(Cl)ccc1N ZINC000038063565 386118943 /nfs/dbraw/zinc/11/89/43/386118943.db2.gz VYJGKWAYETUKGW-UHFFFAOYSA-N 0 0 230.720 2.224 10 0 BEAERN Nc1cc(-c2ccsc2Br)[nH]n1 ZINC000575569522 386119376 /nfs/dbraw/zinc/11/93/76/386119376.db2.gz LCPRDPVGXOCPSF-UHFFFAOYSA-N 0 0 244.117 2.313 10 0 BEAERN CCCCS(=O)(=O)NC(C)(CC)CC ZINC000113294281 386071211 /nfs/dbraw/zinc/07/12/11/386071211.db2.gz UROOFTZPUICYOH-UHFFFAOYSA-N 0 0 221.366 2.285 10 0 BEAERN CC[C@H](C)CS(=O)(=O)N1CCCC1(C)C ZINC000113288511 386086323 /nfs/dbraw/zinc/08/63/23/386086323.db2.gz AATLHRTWCZZBBU-JTQLQIEISA-N 0 0 233.377 2.237 10 0 BEAERN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C ZINC000345267207 386086690 /nfs/dbraw/zinc/08/66/90/386086690.db2.gz PISDMZRPYAPELN-XQHKEYJVSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1csc(-c2csc(C=O)n2)n1 ZINC000575576431 386188215 /nfs/dbraw/zinc/18/82/15/386188215.db2.gz KLRCUAJVSYXCGZ-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C ZINC000307182232 386133196 /nfs/dbraw/zinc/13/31/96/386133196.db2.gz NSOZMPRKEKNHTF-BKPPORCPSA-N 0 0 201.697 2.290 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)CCC(C)(C)C ZINC000334622838 386208758 /nfs/dbraw/zinc/20/87/58/386208758.db2.gz PTTYHQBSVVPSGP-QWRGUYRKSA-N 0 0 227.348 2.185 10 0 BEAERN CCC1CCC(N2C(=O)NC(C)(C)C2=O)CC1 ZINC000335365998 386210844 /nfs/dbraw/zinc/21/08/44/386210844.db2.gz DXKYRKYFWLRWTM-UHFFFAOYSA-N 0 0 238.331 2.286 10 0 BEAERN C[C@@H](CF)N=c1[nH]c(Br)cs1 ZINC000575580396 386224966 /nfs/dbraw/zinc/22/49/66/386224966.db2.gz RXJUQRKYIQEZCI-BYPYZUCNSA-N 0 0 239.113 2.097 10 0 BEAERN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)[C@H]1C[C@@H]1C ZINC000414394771 386282439 /nfs/dbraw/zinc/28/24/39/386282439.db2.gz PUBDVXLTIBKIAV-VLEAKVRGSA-N 0 0 227.348 2.351 10 0 BEAERN CC[C@H](C)c1n[n-]c(=[NH+]C(C)(C)C)n1CC ZINC000336743021 386283322 /nfs/dbraw/zinc/28/33/22/386283322.db2.gz SQRUHXWZQFDZGU-VIFPVBQESA-N 0 0 224.352 2.444 10 0 BEAERN CCc1cc(C(=O)Nc2c(C)onc2CC)n[nH]1 ZINC000133278734 386289731 /nfs/dbraw/zinc/28/97/31/386289731.db2.gz BCSQTWOGNYZILM-UHFFFAOYSA-N 0 0 248.286 2.083 10 0 BEAERN Cc1csc(NC2(CO)CCCC2)n1 ZINC000053071001 386291194 /nfs/dbraw/zinc/29/11/94/386291194.db2.gz VFRFHZHCFJLGCP-UHFFFAOYSA-N 0 0 212.318 2.169 10 0 BEAERN CC(C)N1C[C@@H](c2cnno2)Nc2ccccc21 ZINC000616681619 386264025 /nfs/dbraw/zinc/26/40/25/386264025.db2.gz RKMDPXJOOHGMMX-NSHDSACASA-N 0 0 244.298 2.451 10 0 BEAERN CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc(OC)n1 ZINC000276616274 386354220 /nfs/dbraw/zinc/35/42/20/386354220.db2.gz JZWUJBQJKIYBSU-PWSUYJOCSA-N 0 0 220.316 2.368 10 0 BEAERN Cc1cc(Br)ccc1CCO ZINC000112928037 386370941 /nfs/dbraw/zinc/37/09/41/386370941.db2.gz SPUJMAZDWJOCFS-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN Fc1cc(F)nc([C@@H]2CCCS2)n1 ZINC000575596499 386375597 /nfs/dbraw/zinc/37/55/97/386375597.db2.gz PDEXUKXHYHOWDI-YFKPBYRVSA-N 0 0 202.229 2.323 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H](O)CC[C@@H]2C)c(C)c1 ZINC000399197433 386447102 /nfs/dbraw/zinc/44/71/02/386447102.db2.gz BDFHUWWDJALOGG-QWHCGFSZSA-N 0 0 247.338 2.289 10 0 BEAERN CC[C@H](C)[C@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521401077 386449941 /nfs/dbraw/zinc/44/99/41/386449941.db2.gz FNWCANIMLRXFTH-XLPZGREQSA-N 0 0 241.253 2.403 10 0 BEAERN FC(F)C1(c2nc(Cl)ns2)CC1 ZINC000575599543 386398255 /nfs/dbraw/zinc/39/82/55/386398255.db2.gz SWDPYAVPJNTKJW-UHFFFAOYSA-N 0 0 210.636 2.488 10 0 BEAERN Fc1ncnc(C2CC2)c1Br ZINC000575600250 386401648 /nfs/dbraw/zinc/40/16/48/386401648.db2.gz WRPAPDFLRJECTC-UHFFFAOYSA-N 0 0 217.041 2.256 10 0 BEAERN CC(C)n1ccnc1CS[C@H](C)[C@H](C)O ZINC000266243414 386415955 /nfs/dbraw/zinc/41/59/55/386415955.db2.gz MUEKPJMPOXFYTK-VHSXEESVSA-N 0 0 228.361 2.467 10 0 BEAERN COC(=O)c1ncn2c1cc(Cl)cc2C ZINC000238364510 386472297 /nfs/dbraw/zinc/47/22/97/386472297.db2.gz GRAQDXKIBMPYME-UHFFFAOYSA-N 0 0 224.647 2.083 10 0 BEAERN CC(C)n1ccnc1CSC[C@H](C)CO ZINC000266857745 386476885 /nfs/dbraw/zinc/47/68/85/386476885.db2.gz VHDPKGKDOCUDBW-SNVBAGLBSA-N 0 0 228.361 2.326 10 0 BEAERN O=C(c1ccccc1)N1CCCSCC1 ZINC000060833835 386490486 /nfs/dbraw/zinc/49/04/86/386490486.db2.gz YTPSAFHKTQFXEK-UHFFFAOYSA-N 0 0 221.325 2.266 10 0 BEAERN CC(=O)c1ccncc1OCC(F)(F)F ZINC000299889341 386498005 /nfs/dbraw/zinc/49/80/05/386498005.db2.gz HYVVTFPAJAYDOO-UHFFFAOYSA-N 0 0 219.162 2.225 10 0 BEAERN CC(C)(C)OC(=O)c1ccn2nccc2c1 ZINC000299890273 386498152 /nfs/dbraw/zinc/49/81/52/386498152.db2.gz WZJNSBXBXOUETA-UHFFFAOYSA-N 0 0 218.256 2.290 10 0 BEAERN Clc1nc2nccnc2cc1Br ZINC000238567277 386506553 /nfs/dbraw/zinc/50/65/53/386506553.db2.gz XRVLIAZLPDGRHR-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN CC(C)(C)[C@@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521401774 386463760 /nfs/dbraw/zinc/46/37/60/386463760.db2.gz OXOSSQSXIJTZSH-RQJHMYQMSA-N 0 0 241.253 2.403 10 0 BEAERN CCc1c(C#N)cc(CO)cc1OC(F)F ZINC000575641589 386575126 /nfs/dbraw/zinc/57/51/26/386575126.db2.gz WIWVKTXTCIJKDE-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COc1cc(C#N)cc(OC(F)F)c1C(C)=O ZINC000575641914 386575815 /nfs/dbraw/zinc/57/58/15/386575815.db2.gz ZHUDDRQXCVTDBQ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)c1cc(C)c(N)c(OC(F)(F)F)c1 ZINC000575641975 386577560 /nfs/dbraw/zinc/57/75/60/386577560.db2.gz ZYXWAPSJAVTBRL-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN N#Cc1cc(C(F)(F)F)cc(CO)c1F ZINC000575644305 386585235 /nfs/dbraw/zinc/58/52/35/386585235.db2.gz ACYNYYXLTDPFNI-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCOc1cc(C(C)=O)cc(C#N)c1C ZINC000575644743 386588414 /nfs/dbraw/zinc/58/84/14/386588414.db2.gz FDFSNPDWACMHNO-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CC(=O)c1cnn(-c2ccccc2)c1F ZINC000238856668 386536437 /nfs/dbraw/zinc/53/64/37/386536437.db2.gz WTYKFHLLVYRMNZ-UHFFFAOYSA-N 0 0 204.204 2.214 10 0 BEAERN CCCCC(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238920509 386539875 /nfs/dbraw/zinc/53/98/75/386539875.db2.gz SZYPSYKYHUOWPN-GFCCVEGCSA-N 0 0 248.326 2.252 10 0 BEAERN CC(C)[C@H](O)[C@H]1SCCS[C@@H]1C ZINC000228084621 386541891 /nfs/dbraw/zinc/54/18/91/386541891.db2.gz ZXBJLYOYIIDSDN-VGMNWLOBSA-N 0 0 206.376 2.240 10 0 BEAERN Cn1cc2cc(F)cc(Br)c2n1 ZINC000575631056 386548870 /nfs/dbraw/zinc/54/88/70/386548870.db2.gz NMNUJFXKKZDEEJ-UHFFFAOYSA-N 0 0 229.052 2.475 10 0 BEAERN Cc1ccc(CO)c([N+](=O)[O-])c1C(F)(F)F ZINC000575637799 386553341 /nfs/dbraw/zinc/55/33/41/386553341.db2.gz HHPYCVOBMGCPQQ-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COc1ccc(OC(F)F)c(C#N)c1C ZINC000575639334 386561656 /nfs/dbraw/zinc/56/16/56/386561656.db2.gz AHZDQGIUTIFZSJ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COC(=O)Cc1c(C)cc(N)cc1C(F)(F)F ZINC000575639576 386563862 /nfs/dbraw/zinc/56/38/62/386563862.db2.gz IJTHYMFYRGSKFZ-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1c(C#N)c(C=O)ccc1OC(F)F ZINC000575639555 386564194 /nfs/dbraw/zinc/56/41/94/386564194.db2.gz SALBMZQJWWSIDV-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1ccc(OC(F)F)c(C(C)=O)c1C#N ZINC000575640172 386567879 /nfs/dbraw/zinc/56/78/79/386567879.db2.gz LJJONMSKBSREDI-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCc1cc(C#N)c(CO)c(OC(F)F)c1 ZINC000575640227 386568268 /nfs/dbraw/zinc/56/82/68/386568268.db2.gz MKLUIIUTCSJEEW-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN Cc1cc(OC(F)F)cc(C#N)c1C=O ZINC000575640935 386574015 /nfs/dbraw/zinc/57/40/15/386574015.db2.gz KDQQHLVRXGTWQA-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CC(C)c1ccccc1/C=C(/[NH3+])C(=O)[O-] ZINC000307408319 386635660 /nfs/dbraw/zinc/63/56/60/386635660.db2.gz DYENUXKJWFIRQX-YRNVUSSQSA-N 0 0 205.257 2.194 10 0 BEAERN Cn1ccc(COc2ccc(F)cc2)n1 ZINC000212095829 386650640 /nfs/dbraw/zinc/65/06/40/386650640.db2.gz XHLIMTNOTOHFPV-UHFFFAOYSA-N 0 0 206.220 2.138 10 0 BEAERN C[C@@H]1C[C@@H](NC(=O)C(C)(C)Br)[C@H]1C ZINC000307397822 386608927 /nfs/dbraw/zinc/60/89/27/386608927.db2.gz RSNKODLVPFLLOX-GJMOJQLCSA-N 0 0 248.164 2.321 10 0 BEAERN CCOC(=O)Cc1cnccc1OC(F)(F)F ZINC000575340452 386684872 /nfs/dbraw/zinc/68/48/72/386684872.db2.gz BVJNKOQBTJLQBQ-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN COC(=O)Cc1cc(OC)ccc1C(F)(F)F ZINC000575339342 386685834 /nfs/dbraw/zinc/68/58/34/386685834.db2.gz OQCXMOIEOZPEMT-UHFFFAOYSA-N 0 0 248.200 2.430 10 0 BEAERN CCC[C@@H](O)CNC(=O)c1oc(CC)cc1C ZINC000121057007 386692412 /nfs/dbraw/zinc/69/24/12/386692412.db2.gz ZDPGXYJOWFPLRT-SNVBAGLBSA-N 0 0 239.315 2.041 10 0 BEAERN CC(C)CC[C@@H](C)NC(=O)Nc1nncs1 ZINC000043130497 386696824 /nfs/dbraw/zinc/69/68/24/386696824.db2.gz XNSQOZKZNMTBMM-MRVPVSSYSA-N 0 0 242.348 2.484 10 0 BEAERN COC(=O)CC1CCN(c2ccccc2)CC1 ZINC000575448727 386734304 /nfs/dbraw/zinc/73/43/04/386734304.db2.gz XSJPDMUPGGHESH-UHFFFAOYSA-N 0 0 233.311 2.466 10 0 BEAERN O=C(c1cc[nH]n1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114435384 386748590 /nfs/dbraw/zinc/74/85/90/386748590.db2.gz DDCZBPHBWBMOCH-CQSZACIVSA-N 0 0 245.326 2.372 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1cccc(F)c1F ZINC000575361982 386769192 /nfs/dbraw/zinc/76/91/92/386769192.db2.gz XWXPXRWWWJUTHT-UHFFFAOYSA-N 0 0 242.221 2.489 10 0 BEAERN CCC(C)(C)CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000192203013 386741551 /nfs/dbraw/zinc/74/15/51/386741551.db2.gz ZFNJUKFQLIJDIF-VHSXEESVSA-N 0 0 213.321 2.106 10 0 BEAERN O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)NC1CC1 ZINC000114493787 386791259 /nfs/dbraw/zinc/79/12/59/386791259.db2.gz IYBQYYDOLWUIEP-HNNXBMFYSA-N 0 0 248.370 2.087 10 0 BEAERN CCOC(=O)c1ccc(C)nc1OC(F)(F)F ZINC000575374991 386799854 /nfs/dbraw/zinc/79/98/54/386799854.db2.gz FZWYLVXGWDQEIL-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1cnc(OC(F)(F)F)c(C)c1 ZINC000575375068 386800466 /nfs/dbraw/zinc/80/04/66/386800466.db2.gz KLGRRBMBMCGQPL-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CN(c1ccc(Br)nn1)C(C)(C)C ZINC000575451806 386807687 /nfs/dbraw/zinc/80/76/87/386807687.db2.gz IENDJJHTIZACLX-UHFFFAOYSA-N 0 0 244.136 2.474 10 0 BEAERN Cc1ccnc(N[C@H](CO)c2ccccc2F)n1 ZINC000301284061 386831223 /nfs/dbraw/zinc/83/12/23/386831223.db2.gz POUCBJBWMLFQJF-GFCCVEGCSA-N 0 0 247.273 2.070 10 0 BEAERN Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@H]32)c(C)[nH]1 ZINC000334780862 386835783 /nfs/dbraw/zinc/83/57/83/386835783.db2.gz CPMNPDBXUZCGFC-AAEUAGOBSA-N 0 0 232.327 2.299 10 0 BEAERN CCO[C@@H](C)c1noc(CN2CC[C@H]2CC)n1 ZINC000330286517 386844617 /nfs/dbraw/zinc/84/46/17/386844617.db2.gz ZXYOBJNHQZBKEK-VHSXEESVSA-N 0 0 239.319 2.151 10 0 BEAERN Cc1noc(-c2ccnc(NCC3CC3)c2)n1 ZINC000301520729 386849564 /nfs/dbraw/zinc/84/95/64/386849564.db2.gz LFUAMZNEGSEMOG-UHFFFAOYSA-N 0 0 230.271 2.262 10 0 BEAERN Cc1nsc(SC(=S)N2CCCC2)n1 ZINC000301931552 386891445 /nfs/dbraw/zinc/89/14/45/386891445.db2.gz NYINNWFMYMSEGC-UHFFFAOYSA-N 0 0 245.398 2.319 10 0 BEAERN Cc1cc(N(C)C[C@H](O)C2CC2)nc(C(C)C)n1 ZINC000301668336 386866120 /nfs/dbraw/zinc/86/61/20/386866120.db2.gz PJMTZXRJNHAIFR-LBPRGKRZSA-N 0 0 249.358 2.116 10 0 BEAERN Cc1cnc(N2C[C@H]3CC=CC[C@@H]3C2)nc1 ZINC000301835375 386882541 /nfs/dbraw/zinc/88/25/41/386882541.db2.gz LDTBYWAGXZFOOV-VXGBXAGGSA-N 0 0 215.300 2.187 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116047042 386910979 /nfs/dbraw/zinc/91/09/79/386910979.db2.gz AMSPVYLMOMRLRA-WDEREUQCSA-N 0 0 237.299 2.226 10 0 BEAERN O=C([C@H]1CCCOC1)N1CCC[C@@H]1c1ccco1 ZINC000116047257 386911783 /nfs/dbraw/zinc/91/17/83/386911783.db2.gz HYYCRKMKBHUIDE-NWDGAFQWSA-N 0 0 249.310 2.370 10 0 BEAERN O=C(C1CC1)N1CCC[C@H]1c1ccco1 ZINC000116046964 386912129 /nfs/dbraw/zinc/91/21/29/386912129.db2.gz FGFVKIUZVXAWOX-JTQLQIEISA-N 0 0 205.257 2.353 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)[nH]n1 ZINC000116211999 386928319 /nfs/dbraw/zinc/92/83/19/386928319.db2.gz WPAAPNCALZIONZ-NSHDSACASA-N 0 0 245.282 2.288 10 0 BEAERN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363078 386940384 /nfs/dbraw/zinc/94/03/84/386940384.db2.gz DAMLPWXQCNKISQ-DTWKUNHWSA-N 0 0 248.248 2.046 10 0 BEAERN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363096 386940843 /nfs/dbraw/zinc/94/08/43/386940843.db2.gz DAMLPWXQCNKISQ-RKDXNWHRSA-N 0 0 248.248 2.046 10 0 BEAERN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363080 386942002 /nfs/dbraw/zinc/94/20/02/386942002.db2.gz DAMLPWXQCNKISQ-IUCAKERBSA-N 0 0 248.248 2.046 10 0 BEAERN OC[C@H]1Cc2occc2CN1Cc1cccs1 ZINC000575407873 387007345 /nfs/dbraw/zinc/00/73/45/387007345.db2.gz BIQUOJNTLWSQIB-LLVKDONJSA-N 0 0 249.335 2.260 10 0 BEAERN C[C@@H](C(N)=O)N1CCC(c2nccs2)CC1 ZINC000334898304 386970973 /nfs/dbraw/zinc/97/09/73/386970973.db2.gz CJOTUEIWZJUXPK-QMMMGPOBSA-N 0 0 239.344 2.246 10 0 BEAERN Fc1cccc(COC[C@H]2CCCO2)c1 ZINC000575191266 386978972 /nfs/dbraw/zinc/97/89/72/386978972.db2.gz WFHBGSZVFFAYOE-GFCCVEGCSA-N 0 0 209.240 2.335 10 0 BEAERN OC[C@@H]1Cc2occc2CN1Cc1cccs1 ZINC000575407874 387008145 /nfs/dbraw/zinc/00/81/45/387008145.db2.gz BIQUOJNTLWSQIB-NSHDSACASA-N 0 0 249.335 2.260 10 0 BEAERN COC[C@H](C)Nc1ccc(F)cc1F ZINC000053172281 386986187 /nfs/dbraw/zinc/98/61/87/386986187.db2.gz MEYYTGZEZUZCPP-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN CC[C@H](C)CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398786622 386991250 /nfs/dbraw/zinc/99/12/50/386991250.db2.gz OSZPFEJUVQRTIY-ZDEQEGDKSA-N 0 0 239.359 2.042 10 0 BEAERN CCOC(=O)c1cncc(C(F)(F)F)c1OC ZINC000575397441 386998185 /nfs/dbraw/zinc/99/81/85/386998185.db2.gz JFMHKVMAFKAJFX-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOC(=O)Cc1cc(OC)c(F)c(F)c1F ZINC000575397429 386998742 /nfs/dbraw/zinc/99/87/42/386998742.db2.gz FZSKZSATYPHBDJ-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN O=C1CC[C@H](c2ccc(Cl)cc2)CN1 ZINC000057496079 386998905 /nfs/dbraw/zinc/99/89/05/386998905.db2.gz PMIWQYDBCMPDAS-VIFPVBQESA-N 0 0 209.676 2.334 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1CCCc2cncn21 ZINC000575419784 387030678 /nfs/dbraw/zinc/03/06/78/387030678.db2.gz YUECRCGGGOESPJ-SNVBAGLBSA-N 0 0 222.288 2.102 10 0 BEAERN O=C1CO[C@@H](c2cc(Cl)cs2)C1 ZINC000575458930 387033913 /nfs/dbraw/zinc/03/39/13/387033913.db2.gz JNNGYSMIJGCOFT-SSDOTTSWSA-N 0 0 202.662 2.432 10 0 BEAERN CCn1oc2ccc(Br)cc2c1=O ZINC000575422382 387034973 /nfs/dbraw/zinc/03/49/73/387034973.db2.gz JOSVGKRUEQJIQA-UHFFFAOYSA-N 0 0 242.072 2.377 10 0 BEAERN C[C@@H](NN)c1ccsc1Br ZINC000575577294 387035691 /nfs/dbraw/zinc/03/56/91/387035691.db2.gz LYXFPMOGXNSYEF-SCSAIBSYSA-N 0 0 221.123 2.035 10 0 BEAERN C[C@H](NN)c1ccsc1Br ZINC000575577284 387037759 /nfs/dbraw/zinc/03/77/59/387037759.db2.gz LYXFPMOGXNSYEF-BYPYZUCNSA-N 0 0 221.123 2.035 10 0 BEAERN CCOc1c(C=O)cc(O)cc1OC(F)F ZINC000575655674 387039564 /nfs/dbraw/zinc/03/95/64/387039564.db2.gz GXXPVNSEVBQDPL-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(CO)c(C)c(OC(F)F)c1 ZINC000575656686 387041925 /nfs/dbraw/zinc/04/19/25/387041925.db2.gz JNNXGRJIJJXYOU-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1cc(C=O)c(O)cc1OC(F)F ZINC000575656438 387042478 /nfs/dbraw/zinc/04/24/78/387042478.db2.gz KPPNDHIRRDKTAP-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(OC(F)F)c(O)cc1OC ZINC000575656559 387042702 /nfs/dbraw/zinc/04/27/02/387042702.db2.gz LIAZSAXZWKEKGQ-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN O=C1CC(c2cncc(Br)c2)C1 ZINC000575464363 387044494 /nfs/dbraw/zinc/04/44/94/387044494.db2.gz OONGGBSJHZEJBP-UHFFFAOYSA-N 0 0 226.073 2.291 10 0 BEAERN CCOc1cc(OC(F)F)c(C)cc1CO ZINC000575657622 387045548 /nfs/dbraw/zinc/04/55/48/387045548.db2.gz PLIAIPSIQDTMNL-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCCCOCC(=O)Nc1ccnn1CCC ZINC000118208575 387048375 /nfs/dbraw/zinc/04/83/75/387048375.db2.gz YFLLMYSZXRNOLM-UHFFFAOYSA-N 0 0 239.319 2.048 10 0 BEAERN CCc1cc(OC)cc(OC(F)F)c1CO ZINC000575659262 387049748 /nfs/dbraw/zinc/04/97/48/387049748.db2.gz YSTSCGQZGZNVCI-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN COc1c(F)ccc(OC(F)F)c1C=O ZINC000575659149 387049920 /nfs/dbraw/zinc/04/99/20/387049920.db2.gz CNMMLNQNFKBODN-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(C=O)cc(OC(F)F)c1F ZINC000575659046 387049995 /nfs/dbraw/zinc/04/99/95/387049995.db2.gz AEXOFMIPNBGAEN-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1c(C=O)cc(F)cc1OC(F)F ZINC000575660632 387051639 /nfs/dbraw/zinc/05/16/39/387051639.db2.gz VKORJRBWPJLHKP-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(OC(F)F)c(C=O)cc1F ZINC000575660069 387052320 /nfs/dbraw/zinc/05/23/20/387052320.db2.gz OZBZNPBFWBTCEV-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN OCc1cnc2ccc(-c3ccccc3)cn12 ZINC000575432062 387057050 /nfs/dbraw/zinc/05/70/50/387057050.db2.gz BERLJWJLDRHXPH-UHFFFAOYSA-N 0 0 224.263 2.494 10 0 BEAERN CC(C)(C)c1ccnc(Cl)c1C(N)=O ZINC000575434109 387057537 /nfs/dbraw/zinc/05/75/37/387057537.db2.gz KGFGLJHRNKXTOT-UHFFFAOYSA-N 0 0 212.680 2.131 10 0 BEAERN CCCc1noc([C@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC000333813879 387058338 /nfs/dbraw/zinc/05/83/38/387058338.db2.gz PZZDXRGYBHDQNP-YIZRAAEISA-N 0 0 220.272 2.105 10 0 BEAERN C[C@H]1C[C@]1(C)c1onc(N)c1Br ZINC000575583585 387059137 /nfs/dbraw/zinc/05/91/37/387059137.db2.gz OHSYOMVIURQSKR-NVNXEXLPSA-N 0 0 231.093 2.147 10 0 BEAERN Cc1cn(C)nc1-c1nc(CC2CCC2)no1 ZINC000333860823 387063419 /nfs/dbraw/zinc/06/34/19/387063419.db2.gz PUXSHQGVTGIWSR-UHFFFAOYSA-N 0 0 232.287 2.121 10 0 BEAERN C[C@@H]1CN[C@H](c2cncc(Cl)c2)S1 ZINC000575576253 387021716 /nfs/dbraw/zinc/02/17/16/387021716.db2.gz LNFWOJRBDXOZPB-MUWHJKNJSA-N 0 0 214.721 2.459 10 0 BEAERN Cn1ncc(-c2nc(C3(C)CC3)no2)c1C1CC1 ZINC000333261930 387025324 /nfs/dbraw/zinc/02/53/24/387025324.db2.gz URZGPCXIJKWOJH-UHFFFAOYSA-N 0 0 244.298 2.399 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117785278 387028329 /nfs/dbraw/zinc/02/83/29/387028329.db2.gz RHGJYJQMYAOSBK-NTZNESFSSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@@H](CO)CSC[C@@H]1Cc2ccccc2O1 ZINC000085537684 387070187 /nfs/dbraw/zinc/07/01/87/387070187.db2.gz PVZHVPHCAHKUBE-JQWIXIFHSA-N 0 0 238.352 2.352 10 0 BEAERN N[C@H](c1ccc(Cl)o1)c1cncs1 ZINC000575467694 387079418 /nfs/dbraw/zinc/07/94/18/387079418.db2.gz FDSAXOJLVARLKY-MRVPVSSYSA-N 0 0 214.677 2.438 10 0 BEAERN C[C@@H](Nc1nc2ccccc2n1C)[C@H](C)CO ZINC000127231352 387099665 /nfs/dbraw/zinc/09/96/65/387099665.db2.gz XHJHMXOLRUWIDE-NXEZZACHSA-N 0 0 233.315 2.002 10 0 BEAERN COc1c(C=O)cc(C(C)=O)cc1OC(F)F ZINC000575661590 387106790 /nfs/dbraw/zinc/10/67/90/387106790.db2.gz NMKHKCSTJZHHHD-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2ccc[nH]2)o1 ZINC000072753912 387125842 /nfs/dbraw/zinc/12/58/42/387125842.db2.gz QQXCSHHJCQOFFM-VIFPVBQESA-N 0 0 218.256 2.407 10 0 BEAERN CC(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC000033428469 387150774 /nfs/dbraw/zinc/15/07/74/387150774.db2.gz OHSUGCAXKAAXRN-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN COc1c(OC(F)F)cc(C=O)cc1C(C)=O ZINC000575662205 387152979 /nfs/dbraw/zinc/15/29/79/387152979.db2.gz ZHFJJQNAIFNLCX-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C(C)(C)C1CCC1 ZINC000322148985 387156134 /nfs/dbraw/zinc/15/61/34/387156134.db2.gz SGSNZACBEYHUFH-CMPLNLGQSA-N 0 0 239.359 2.185 10 0 BEAERN O=C(c1cncc(O)c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000371162486 387156336 /nfs/dbraw/zinc/15/63/36/387156336.db2.gz DJDHWAMYHHKFFK-GWCFXTLKSA-N 0 0 246.310 2.192 10 0 BEAERN Cc1nn(-c2ccccc2)c(=O)c2cccnc12 ZINC000248055033 387156792 /nfs/dbraw/zinc/15/67/92/387156792.db2.gz YITWOVUHXYDQAQ-UHFFFAOYSA-N 0 0 237.262 2.089 10 0 BEAERN CCOC(=O)c1c(C2CC2)nc2n1CCCC2 ZINC000259761098 387159404 /nfs/dbraw/zinc/15/94/04/387159404.db2.gz UWHAKQOXXVMOEL-UHFFFAOYSA-N 0 0 234.299 2.274 10 0 BEAERN O=C(N[C@H]1CCC12CCCC2)C(F)(F)F ZINC000575478108 387160546 /nfs/dbraw/zinc/16/05/46/387160546.db2.gz LJVUVQLHFHOSHA-ZETCQYMHSA-N 0 0 221.222 2.388 10 0 BEAERN C[C@H](CO)Nc1cccc(F)c1Cl ZINC000575478241 387160609 /nfs/dbraw/zinc/16/06/09/387160609.db2.gz OYVUNITTXIAZDM-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN C[C@]1(O)CCC[C@H]1SC1CCOCC1 ZINC000306202666 387162174 /nfs/dbraw/zinc/16/21/74/387162174.db2.gz XCYOFXAHEDBFEW-MNOVXSKESA-N 0 0 216.346 2.202 10 0 BEAERN CC[S@](C)(=O)=Nc1ccc(OC)cc1 ZINC000536950884 387162212 /nfs/dbraw/zinc/16/22/12/387162212.db2.gz LMWJSOHGNJYFBP-AWEZNQCLSA-N 0 0 213.302 2.444 10 0 BEAERN CC(C)c1cc(=O)n2c(n1)CCC[C@@H]2C ZINC000536951592 387163754 /nfs/dbraw/zinc/16/37/54/387163754.db2.gz SUFHWBFQYODDEE-VIFPVBQESA-N 0 0 206.289 2.264 10 0 BEAERN OCC[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000229350606 387164666 /nfs/dbraw/zinc/16/46/66/387164666.db2.gz OWIVLJPMCWGBQQ-GFCCVEGCSA-N 0 0 242.322 2.444 10 0 BEAERN COc1cc(C=O)c(OC(F)F)cc1C(C)=O ZINC000575662069 387165252 /nfs/dbraw/zinc/16/52/52/387165252.db2.gz WIADCVFAGKVNGB-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN CC(C)[C@@H](C)c1nc2n(c1CO)CCCC2 ZINC000536955260 387167793 /nfs/dbraw/zinc/16/77/93/387167793.db2.gz RGYQDGCXQLZXRZ-SNVBAGLBSA-N 0 0 222.332 2.471 10 0 BEAERN CC(C)c1nn(C)cc1N=S1(=O)CCCC1 ZINC000536958325 387171592 /nfs/dbraw/zinc/17/15/92/387171592.db2.gz YWADITCIJZHTKB-UHFFFAOYSA-N 0 0 241.360 2.437 10 0 BEAERN CC[C@H](C)N=c1[nH]c2cccnc2s1 ZINC000536958374 387171964 /nfs/dbraw/zinc/17/19/64/387171964.db2.gz JWAJYUBGNAKLMX-ZETCQYMHSA-N 0 0 207.302 2.324 10 0 BEAERN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C ZINC000300240173 387184679 /nfs/dbraw/zinc/18/46/79/387184679.db2.gz JPIQORYWHOWONK-CYDGBPFRSA-N 0 0 239.359 2.185 10 0 BEAERN CCOCCC1(C(=O)N[C@H]2C[C@@H]2C)CCC1 ZINC000120605317 387190842 /nfs/dbraw/zinc/19/08/42/387190842.db2.gz IZECPOUBZFKVRA-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN CC(C)(C)c1nc(CNC2(CO)CC2)cs1 ZINC000120356068 387232445 /nfs/dbraw/zinc/23/24/45/387232445.db2.gz OGMIZZCUBFZICL-UHFFFAOYSA-N 0 0 240.372 2.055 10 0 BEAERN Cc1n[nH]cc1CCCNC(=O)[C@H]1CCC[C@H]1C ZINC000230170446 387238670 /nfs/dbraw/zinc/23/86/70/387238670.db2.gz GUTFTYTUJVUQJP-MFKMUULPSA-N 0 0 249.358 2.203 10 0 BEAERN CCC(CC)[C@H](O)CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230174552 387239627 /nfs/dbraw/zinc/23/96/27/387239627.db2.gz JYQMYIIDADWLAK-CYZMBNFOSA-N 0 0 241.375 2.336 10 0 BEAERN CCC(O)(CC)CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230173610 387239858 /nfs/dbraw/zinc/23/98/58/387239858.db2.gz QYIORGNWDMNWJK-WDEREUQCSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CO)c1ccccc1 ZINC000230171494 387240493 /nfs/dbraw/zinc/24/04/93/387240493.db2.gz ABDUPLXMDAGHFC-XBFCOCLRSA-N 0 0 247.338 2.272 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000230175047 387240884 /nfs/dbraw/zinc/24/08/84/387240884.db2.gz NCGGJWZWTHZGKW-FZMZJTMJSA-N 0 0 247.338 2.487 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)c1cn[nH]c1 ZINC000230175698 387240959 /nfs/dbraw/zinc/24/09/59/387240959.db2.gz HMOKUELOHFUXED-ATZCPNFKSA-N 0 0 221.304 2.023 10 0 BEAERN CC1(C)CC[C@H]1Nc1ccc(OCC(N)=O)cc1 ZINC000284440752 387197481 /nfs/dbraw/zinc/19/74/81/387197481.db2.gz RVWYOKSYSOKFGB-GFCCVEGCSA-N 0 0 248.326 2.151 10 0 BEAERN CC1CC(c2onc(N)c2Br)C1 ZINC000575487065 387255368 /nfs/dbraw/zinc/25/53/68/387255368.db2.gz OESKIHJFCBFJHK-UHFFFAOYSA-N 0 0 231.093 2.363 10 0 BEAERN CCOc1cc(CO)cc(O)c1C(F)F ZINC000575666689 387319219 /nfs/dbraw/zinc/31/92/19/387319219.db2.gz KYKMVTOMSSKVCB-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN COCc1cnc(NCc2cccn2C)s1 ZINC000285346954 387262716 /nfs/dbraw/zinc/26/27/16/387262716.db2.gz YYJLVEOILZNQJE-UHFFFAOYSA-N 0 0 237.328 2.240 10 0 BEAERN Nc1ccsc1CNc1cnsc1 ZINC000575493883 387271756 /nfs/dbraw/zinc/27/17/56/387271756.db2.gz PFPFMQGTHIQQBN-UHFFFAOYSA-N 0 0 211.315 2.399 10 0 BEAERN C[C@@H]1C[C@@H](Nc2cnsc2)CS1 ZINC000575494201 387286073 /nfs/dbraw/zinc/28/60/73/387286073.db2.gz UVHANRFQBNMMDQ-RNFRBKRXSA-N 0 0 200.332 2.449 10 0 BEAERN C[C@@H]1C[C@H](Nc2cnsc2)CS1 ZINC000575494202 387286328 /nfs/dbraw/zinc/28/63/28/387286328.db2.gz UVHANRFQBNMMDQ-RQJHMYQMSA-N 0 0 200.332 2.449 10 0 BEAERN COC1CC(c2nnc(Cl)s2)C1 ZINC000575599713 387355339 /nfs/dbraw/zinc/35/53/39/387355339.db2.gz UUYLTUWIWYTQHJ-UHFFFAOYSA-N 0 0 204.682 2.084 10 0 BEAERN OCc1c(Cl)ccc(O)c1Br ZINC000575675494 387358535 /nfs/dbraw/zinc/35/85/35/387358535.db2.gz LQDZKWXFYASQJN-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN O[C@H](c1ccc(Br)nc1)C(F)F ZINC000575601411 387360255 /nfs/dbraw/zinc/36/02/55/387360255.db2.gz FLHZRBHHEKRYSF-ZCFIWIBFSA-N 0 0 238.031 2.143 10 0 BEAERN O=C1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000575601676 387361919 /nfs/dbraw/zinc/36/19/19/387361919.db2.gz BATNFXTWASJRHM-QMMMGPOBSA-N 0 0 200.241 2.400 10 0 BEAERN Cc1ccc([C@@H](O)C(F)F)c(Cl)n1 ZINC000575602247 387368622 /nfs/dbraw/zinc/36/86/22/387368622.db2.gz VVSOUVJKEIMITA-ZCFIWIBFSA-N 0 0 207.607 2.342 10 0 BEAERN CC(C)Oc1cncc(N2CCC(=O)CC2)c1 ZINC000575601814 387368968 /nfs/dbraw/zinc/36/89/68/387368968.db2.gz NGXBOGGDAXOMNG-UHFFFAOYSA-N 0 0 234.299 2.038 10 0 BEAERN CC[C@@H]1COc2c(Br)c(C)nn2C1 ZINC000575601830 387369065 /nfs/dbraw/zinc/36/90/65/387369065.db2.gz FGHDRWYGYPIRHT-ZETCQYMHSA-N 0 0 245.120 2.373 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccncc1F ZINC000648598823 387371472 /nfs/dbraw/zinc/37/14/72/387371472.db2.gz ALKJPOIBQOACKW-MKPLZMMCSA-N 0 0 234.274 2.139 10 0 BEAERN Cc1ccc(/C=C/CC(=O)N[C@@H](C)CCO)cc1 ZINC000121537723 387375204 /nfs/dbraw/zinc/37/52/04/387375204.db2.gz MORAFBUEXIEJOU-OOPCZODUSA-N 0 0 247.338 2.285 10 0 BEAERN COc1ccc(C=O)c(Br)c1F ZINC000575688967 387375542 /nfs/dbraw/zinc/37/55/42/387375542.db2.gz BGWBKYAXVZGOLI-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN CCOc1cc(OC)cc(C(C)=O)c1OC ZINC000575694209 387384921 /nfs/dbraw/zinc/38/49/21/387384921.db2.gz DXQUZCBOHQPSNN-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCOc1cc(O)c(CO)cc1C(F)F ZINC000575668350 387324632 /nfs/dbraw/zinc/32/46/32/387324632.db2.gz VTKAVHDJKALRCT-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN O[C@H]1CC[C@@H]1Nc1ccc(Br)cc1 ZINC000575594649 387325451 /nfs/dbraw/zinc/32/54/51/387325451.db2.gz LBCYZADYZHBGBU-UWVGGRQHSA-N 0 0 242.116 2.384 10 0 BEAERN Cc1c(C=O)cc(CO)cc1C(F)F ZINC000575668675 387326727 /nfs/dbraw/zinc/32/67/27/387326727.db2.gz MLCXCRHIWTVPGZ-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN O=C1CCCC[C@@H]1S[C@@H]1CCOC1 ZINC000575595117 387326927 /nfs/dbraw/zinc/32/69/27/387326927.db2.gz VROWQWFXZCWVED-SCZZXKLOSA-N 0 0 200.303 2.020 10 0 BEAERN O=C1CCCC[C@H]1S[C@@H]1CCOC1 ZINC000575595116 387327852 /nfs/dbraw/zinc/32/78/52/387327852.db2.gz VROWQWFXZCWVED-PSASIEDQSA-N 0 0 200.303 2.020 10 0 BEAERN CCc1cc(CC)nc(N[C@@H]2CCO[C@H]2C)n1 ZINC000286494199 387331636 /nfs/dbraw/zinc/33/16/36/387331636.db2.gz MNNNCCLKWOHLTB-JOYOIKCWSA-N 0 0 235.331 2.191 10 0 BEAERN COc1ccc(O)c(OC)c1C(F)(F)F ZINC000575670753 387335878 /nfs/dbraw/zinc/33/58/78/387335878.db2.gz ADHCWIHLTUNVOW-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1cc(C(F)F)c(CO)cc1C ZINC000575671101 387337340 /nfs/dbraw/zinc/33/73/40/387337340.db2.gz MMOJJHCJZUBVRR-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN Cc1cc(C(N)=O)c(C)c(C(F)(F)F)c1 ZINC000575672767 387339059 /nfs/dbraw/zinc/33/90/59/387339059.db2.gz MQVMFHIULLXTSD-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(OC)c1C ZINC000575672768 387339579 /nfs/dbraw/zinc/33/95/79/387339579.db2.gz MRNXENDWFFBLGC-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN Cc1cc(C)c(C(F)(F)F)c(C(N)=O)c1 ZINC000575672629 387340009 /nfs/dbraw/zinc/34/00/09/387340009.db2.gz CPUOEUUZMPABHM-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN Cc1cc(C(F)(F)F)cc(C)c1C(N)=O ZINC000575672755 387340041 /nfs/dbraw/zinc/34/00/41/387340041.db2.gz LWTWTTFEXZZNGC-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN CN1CCNc2ccc(F)c(Br)c21 ZINC000575510746 387383314 /nfs/dbraw/zinc/38/33/14/387383314.db2.gz LZPQIHVVXDVICF-UHFFFAOYSA-N 0 0 245.095 2.450 10 0 BEAERN COc1cc(O)c(OC)c(OC(F)(F)F)c1 ZINC000575672037 387342239 /nfs/dbraw/zinc/34/22/39/387342239.db2.gz VBXZGVMARCXYDQ-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN Nc1ccc(Br)c([C@H](O)C2CC2)c1 ZINC000575501069 387349786 /nfs/dbraw/zinc/34/97/86/387349786.db2.gz JKLMTNNLPUNPPB-SNVBAGLBSA-N 0 0 242.116 2.475 10 0 BEAERN Cc1cnn(CCNC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000121446572 387352408 /nfs/dbraw/zinc/35/24/08/387352408.db2.gz IOOZPQNLXUFVOJ-WCQYABFASA-N 0 0 249.358 2.134 10 0 BEAERN FC1(F)C[C@H]1Cc1nsc(Cl)n1 ZINC000575599602 387353122 /nfs/dbraw/zinc/35/31/22/387353122.db2.gz OCXFVHORKRMRKQ-GSVOUGTGSA-N 0 0 210.636 2.389 10 0 BEAERN Cc1ncsc1C(=O)[C@@H]1CCSC1 ZINC000575517009 387426264 /nfs/dbraw/zinc/42/62/64/387426264.db2.gz CEWNMOPPVYNVAH-SSDOTTSWSA-N 0 0 213.327 2.387 10 0 BEAERN C[S@@](=O)CCn1ccc2ccccc21 ZINC000306572193 387428887 /nfs/dbraw/zinc/42/88/87/387428887.db2.gz HOTCJBDOWOPOJN-CQSZACIVSA-N 0 0 207.298 2.020 10 0 BEAERN COc1cc(OC(F)F)cc(N)c1C(C)=O ZINC000575716420 387432472 /nfs/dbraw/zinc/43/24/72/387432472.db2.gz DUGXYCCWAHODNM-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN COc1cc(N)c(OC(F)F)c(C(C)=O)c1 ZINC000575716815 387433724 /nfs/dbraw/zinc/43/37/24/387433724.db2.gz JXZBPGHPRMVZRV-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN COc1cc(N)c(C(F)(F)F)c(C(C)=O)c1 ZINC000575716609 387433825 /nfs/dbraw/zinc/43/38/25/387433825.db2.gz HRFVJCZVSDIQFC-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CCOc1c(N)cc(CC)cc1C(C)=O ZINC000575716862 387433878 /nfs/dbraw/zinc/43/38/78/387433878.db2.gz HCHSDMKPVOQQDO-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CCOc1cc(CC)cc(C(C)=O)c1N ZINC000575717314 387435306 /nfs/dbraw/zinc/43/53/06/387435306.db2.gz MQKWEDGQFVJVQF-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1cc(N)c(C(C)=O)cc1C(F)(F)F ZINC000575717755 387436189 /nfs/dbraw/zinc/43/61/89/387436189.db2.gz YTZHPGKZVBBGQK-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CC(=O)c1cc(C)cc(OC(F)F)c1N ZINC000575717524 387436221 /nfs/dbraw/zinc/43/62/21/387436221.db2.gz RTFYOXIEDUSUET-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CCOC(=O)c1cc(N)cc(C)c1CC ZINC000575724469 387438383 /nfs/dbraw/zinc/43/83/83/387438383.db2.gz JCYWNMRGOCTSPY-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN COc1c(C)ccc(N)c1Br ZINC000575720026 387439807 /nfs/dbraw/zinc/43/98/07/387439807.db2.gz CMLUKWRSNMWWPN-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN CC(=O)c1cc(O)c(C(F)(F)F)cc1N ZINC000575719705 387440185 /nfs/dbraw/zinc/44/01/85/387440185.db2.gz ZGKNSBHVJOBWBS-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Cc1cc(O)cc(Br)c1N ZINC000575720099 387441624 /nfs/dbraw/zinc/44/16/24/387441624.db2.gz GHSZOJADBHKTSE-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN Nc1cc(O)cc(OC(F)F)c1Cl ZINC000575720110 387441772 /nfs/dbraw/zinc/44/17/72/387441772.db2.gz GYGSUMZRNACBOY-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCc1cc(N)cc(N)c1OC(F)F ZINC000575720716 387443046 /nfs/dbraw/zinc/44/30/46/387443046.db2.gz RMKOWBXCEQJGNF-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN Cc1cc(N)c(Br)c(O)c1 ZINC000575721023 387443532 /nfs/dbraw/zinc/44/35/32/387443532.db2.gz VGEVVJKOSTUWJD-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN Nc1ccc(N)c(C(F)(F)F)c1OC(F)F ZINC000575723114 387446089 /nfs/dbraw/zinc/44/60/89/387446089.db2.gz PBVKLJFLFVKBJE-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN CCOc1cc(O)cc(N)c1Br ZINC000575722462 387446157 /nfs/dbraw/zinc/44/61/57/387446157.db2.gz LXSXRAJZOZPVFY-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)c1cc(OCC)c(C)cc1N ZINC000575723387 387446317 /nfs/dbraw/zinc/44/63/17/387446317.db2.gz AIBADRNIGSAEGC-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOc1ccc(Br)c(O)c1N ZINC000575722733 387446539 /nfs/dbraw/zinc/44/65/39/387446539.db2.gz MEYCQEMBPZNPDJ-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CC(=O)c1c(N)cc(N)cc1C(F)(F)F ZINC000575723090 387446685 /nfs/dbraw/zinc/44/66/85/387446685.db2.gz OOZUVUOVCBXVRG-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN Nc1cc(OC(F)F)c(Cl)cc1O ZINC000575722589 387446785 /nfs/dbraw/zinc/44/67/85/387446785.db2.gz QAPURBWOGPMTOY-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOC(=O)c1cc(N)c(F)c(CC)c1 ZINC000575723892 387447538 /nfs/dbraw/zinc/44/75/38/387447538.db2.gz HQYAUVUKTDYYQA-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)Cc1cc(N)c(C)cc1OCC ZINC000575724159 387447671 /nfs/dbraw/zinc/44/76/71/387447671.db2.gz WVNAIZAXZBBCNX-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCc1cc(N)c(N)c(Br)c1 ZINC000575723610 387448134 /nfs/dbraw/zinc/44/81/34/387448134.db2.gz YOPWMJWCCRRWRK-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CCOC(=O)Cc1cc(N)c(C)cc1CC ZINC000575725519 387457540 /nfs/dbraw/zinc/45/75/40/387457540.db2.gz ZVVKQWCZCSKQAK-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCOC(=O)c1c(O)c(N)ccc1C(F)(F)F ZINC000575725045 387459686 /nfs/dbraw/zinc/45/96/86/387459686.db2.gz QEYYLHJMMMEMGH-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCc1cc(NCc2cccc(C)n2)ncn1 ZINC000051576878 387389132 /nfs/dbraw/zinc/38/91/32/387389132.db2.gz DOWZJDPPPOUHJC-UHFFFAOYSA-N 0 0 228.299 2.355 10 0 BEAERN CCOC(=O)c1ccc(C(F)(F)F)c(O)c1N ZINC000575724928 387460094 /nfs/dbraw/zinc/46/00/94/387460094.db2.gz NQZKOVZLOJYMJA-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN COc1cc(Cl)cc(Cl)c1C(N)=O ZINC000575694982 387394695 /nfs/dbraw/zinc/39/46/95/387394695.db2.gz OBQWQUNCQCNYHD-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN NC(=O)c1c(F)ccc(C(F)(F)F)c1F ZINC000575695926 387395569 /nfs/dbraw/zinc/39/55/69/387395569.db2.gz SOWVMLLUFNDSEZ-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN CCOc1cc(C=O)c(OC)cc1CC ZINC000575696281 387397063 /nfs/dbraw/zinc/39/70/63/387397063.db2.gz LLHOCCAXICBTBH-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCOc1c(CC)cc(C)cc1C(N)=O ZINC000575696985 387397252 /nfs/dbraw/zinc/39/72/52/387397252.db2.gz PQUKNIOXLOXHTC-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CCOc1cc(CC)cc(OC)c1C=O ZINC000575696449 387397295 /nfs/dbraw/zinc/39/72/95/387397295.db2.gz PCQANKFXYUEMDU-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCOC(=O)c1c(N)cc(N)cc1C(F)(F)F ZINC000575725000 387460374 /nfs/dbraw/zinc/46/03/74/387460374.db2.gz DKFRGKYMUQVWGV-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN CCc1cc(C)c(SC)cc1C(N)=O ZINC000575703468 387400227 /nfs/dbraw/zinc/40/02/27/387400227.db2.gz MSCQWDWBNFSWJJ-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCc1cc(CO)cc(SC)c1OC ZINC000575704029 387400520 /nfs/dbraw/zinc/40/05/20/387400520.db2.gz SZYGWVNOKHEGMQ-UHFFFAOYSA-N 0 0 212.314 2.472 10 0 BEAERN CCOC(=O)c1cc(OC)cc(O)c1Cl ZINC000575701001 387403656 /nfs/dbraw/zinc/40/36/56/387403656.db2.gz PNLGDYOBLRBYTC-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN O=Cc1c(F)c(O)ccc1C(F)(F)F ZINC000575704910 387408110 /nfs/dbraw/zinc/40/81/10/387408110.db2.gz RKTNDQZRXLUTLC-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN O=Cc1cc(CO)cc(OC(F)(F)F)c1F ZINC000575704690 387409364 /nfs/dbraw/zinc/40/93/64/387409364.db2.gz BJRRADBEPCUXLO-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1c(F)ccc(C=O)c1SC ZINC000575708315 387411630 /nfs/dbraw/zinc/41/16/30/387411630.db2.gz PLJHNENIDGJHGW-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COc1cc(F)c(SC)cc1CO ZINC000575707763 387412313 /nfs/dbraw/zinc/41/23/13/387412313.db2.gz HVMVDALWPKUTSU-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1c(C(F)(F)F)ccc(F)c1CO ZINC000575709600 387413525 /nfs/dbraw/zinc/41/35/25/387413525.db2.gz LZUNRQKKWPLWBG-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN Cc1c(N)ccc(OC(F)(F)F)c1O ZINC000575727315 387461004 /nfs/dbraw/zinc/46/10/04/387461004.db2.gz CQFGOJHYOYMAHQ-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN CCOC(=O)c1c(N)c(C)ccc1CC ZINC000575725370 387461085 /nfs/dbraw/zinc/46/10/85/387461085.db2.gz XKHRQZIASJSQLS-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CC[C@H](O)c1ccc(N)c(Br)c1 ZINC000575516639 387422012 /nfs/dbraw/zinc/42/20/12/387422012.db2.gz ALHWHRNCIJHJEX-VIFPVBQESA-N 0 0 230.105 2.475 10 0 BEAERN CC(C)CCS[C@H]1CCCCNC1=O ZINC000105632500 387523414 /nfs/dbraw/zinc/52/34/14/387523414.db2.gz YEXQNQSVLQKBCX-JTQLQIEISA-N 0 0 215.362 2.434 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccnc1F ZINC000287854544 387523865 /nfs/dbraw/zinc/52/38/65/387523865.db2.gz CMUFMCWDBDNDKT-SCZZXKLOSA-N 0 0 222.263 2.139 10 0 BEAERN Clc1cc(NC[C@@H]2[C@H]3COC[C@H]32)ccn1 ZINC000307222001 387529077 /nfs/dbraw/zinc/52/90/77/387529077.db2.gz QKRYPFWZZVJFCU-OWUUHHOZSA-N 0 0 224.691 2.039 10 0 BEAERN CCOC(=O)c1cc(N)cc(N)c1C(F)(F)F ZINC000575727052 387463582 /nfs/dbraw/zinc/46/35/82/387463582.db2.gz SZTDVYVVAJZTMD-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN COc1c(CO)ccc(C)c1OC(F)(F)F ZINC000575728207 387467792 /nfs/dbraw/zinc/46/77/92/387467792.db2.gz AIGDBLAPDSRFOE-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(C)c(CO)cc1OC(F)(F)F ZINC000575729559 387468032 /nfs/dbraw/zinc/46/80/32/387468032.db2.gz MWULZRSQBVKAEN-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(C)cc(OC(F)(F)F)c1CO ZINC000575730495 387473592 /nfs/dbraw/zinc/47/35/92/387473592.db2.gz WNFNFYHCDMXTBR-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN O=C(CC1CC1)Nc1cnc2c(n1)CCCC2 ZINC000377476149 387491511 /nfs/dbraw/zinc/49/15/11/387491511.db2.gz RILZLZKSYCIVCW-UHFFFAOYSA-N 0 0 231.299 2.094 10 0 BEAERN CCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000035837365 387581284 /nfs/dbraw/zinc/58/12/84/387581284.db2.gz TZIRWAWPMKXSCF-VXGBXAGGSA-N 0 0 203.285 2.459 10 0 BEAERN C[C@H](O)c1cc2c(cc1Br)OCC2 ZINC000306348474 387594077 /nfs/dbraw/zinc/59/40/77/387594077.db2.gz SIHKBQOZUYQMHD-LURJTMIESA-N 0 0 243.100 2.437 10 0 BEAERN Cc1ccc([C@H]2CCCN2C(=O)N(C)C)o1 ZINC000265346176 387607612 /nfs/dbraw/zinc/60/76/12/387607612.db2.gz JKNIHJCXWADZOT-SNVBAGLBSA-N 0 0 222.288 2.407 10 0 BEAERN Cc1nc(CN(C)CCCn2ccnc2)oc1C ZINC000124236742 387611219 /nfs/dbraw/zinc/61/12/19/387611219.db2.gz XJAAMMXSUPITGV-UHFFFAOYSA-N 0 0 248.330 2.010 10 0 BEAERN CC(C)CSCCCNC(=O)N[C@H]1C[C@H]1C ZINC000124375249 387615116 /nfs/dbraw/zinc/61/51/16/387615116.db2.gz WKEBEADUTHGCQU-MNOVXSKESA-N 0 0 244.404 2.473 10 0 BEAERN CSCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000031213302 387547434 /nfs/dbraw/zinc/54/74/34/387547434.db2.gz GRRGFTUNYKNZNT-UHFFFAOYSA-N 0 0 247.323 2.174 10 0 BEAERN CC(C)C(=O)N[C@H]1CC[C@@H](C)SC1 ZINC000575533380 387554012 /nfs/dbraw/zinc/55/40/12/387554012.db2.gz BPGDUJSIRKXPPV-BDAKNGLRSA-N 0 0 201.335 2.043 10 0 BEAERN CC(C)C(=O)N[C@@H]1CC[C@H](C)SC1 ZINC000575533383 387554089 /nfs/dbraw/zinc/55/40/89/387554089.db2.gz BPGDUJSIRKXPPV-DTWKUNHWSA-N 0 0 201.335 2.043 10 0 BEAERN O=C(CC1CCCCC1)N1CC[C@H](CCO)C1 ZINC000123067254 387643688 /nfs/dbraw/zinc/64/36/88/387643688.db2.gz SKJJCVJRBRMNCK-CYBMUJFWSA-N 0 0 239.359 2.188 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1ccon1 ZINC000125381612 387653510 /nfs/dbraw/zinc/65/35/10/387653510.db2.gz JKOGUMJARXBPFL-JTQLQIEISA-N 0 0 222.288 2.469 10 0 BEAERN CCOC[C@H](C)Nc1nc2ccccc2[nH]1 ZINC000044725892 387692953 /nfs/dbraw/zinc/69/29/53/387692953.db2.gz XIMAICZWVMLEAK-VIFPVBQESA-N 0 0 219.288 2.400 10 0 BEAERN C[C@H]1CN[C@H](c2ccncc2Cl)S1 ZINC000575554598 387693587 /nfs/dbraw/zinc/69/35/87/387693587.db2.gz GCFTXJRDSLTEJX-RCOVLWMOSA-N 0 0 214.721 2.459 10 0 BEAERN CC(C)n1nnnc1CSCc1ccco1 ZINC000128566162 387750236 /nfs/dbraw/zinc/75/02/36/387750236.db2.gz WBHAHFNEESZPRA-UHFFFAOYSA-N 0 0 238.316 2.280 10 0 BEAERN C[C@H]1OCC[C@@]1([NH3+])c1ccsc1Cl ZINC000575559572 387701258 /nfs/dbraw/zinc/70/12/58/387701258.db2.gz IMYCYVDQVMPZJB-MUWHJKNJSA-N 0 0 217.721 2.364 10 0 BEAERN C[C@H]1OCC[C@]1([NH3+])c1ccsc1Cl ZINC000575559570 387702123 /nfs/dbraw/zinc/70/21/23/387702123.db2.gz IMYCYVDQVMPZJB-HZGVNTEJSA-N 0 0 217.721 2.364 10 0 BEAERN O=C(C1CCCCC1)N1CCCC[C@H](CO)C1 ZINC000377243841 387704320 /nfs/dbraw/zinc/70/43/20/387704320.db2.gz KDTKYQYBVFNCBM-LBPRGKRZSA-N 0 0 239.359 2.188 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000127735637 387725117 /nfs/dbraw/zinc/72/51/17/387725117.db2.gz FSDLYNWHBBOVMT-ZCFIWIBFSA-N 0 0 247.216 2.325 10 0 BEAERN O=Cc1nnc([C@H]2CCCCS2)s1 ZINC000575568389 387727475 /nfs/dbraw/zinc/72/74/75/387727475.db2.gz DJNQGMCITFJJGA-ZCFIWIBFSA-N 0 0 214.315 2.309 10 0 BEAERN Cc1ncc([C@](C)(N)C(F)(F)F)s1 ZINC000575568384 387728230 /nfs/dbraw/zinc/72/82/30/387728230.db2.gz DFDBLBHZKNSOPN-LURJTMIESA-N 0 0 210.224 2.188 10 0 BEAERN C[C@@H](NC(=O)C1CCC1)[C@H]1COc2ccccc21 ZINC000128281551 387742108 /nfs/dbraw/zinc/74/21/08/387742108.db2.gz QNJKFCUXJZCNIP-ZWNOBZJWSA-N 0 0 245.322 2.467 10 0 BEAERN O=C(c1ncccc1O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000378086586 387763542 /nfs/dbraw/zinc/76/35/42/387763542.db2.gz PGXOHACVCPJLPU-QWRGUYRKSA-N 0 0 246.310 2.192 10 0 BEAERN O=C(CC1CCCC1)N1CCCC[C@H](CO)C1 ZINC000378201557 387771809 /nfs/dbraw/zinc/77/18/09/387771809.db2.gz HNRJMUMCVIAWFT-ZDUSSCGKSA-N 0 0 239.359 2.188 10 0 BEAERN COCc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000129587129 387774276 /nfs/dbraw/zinc/77/42/76/387774276.db2.gz NZNSWQMXBCXSTQ-ZWNOBZJWSA-N 0 0 249.310 2.339 10 0 BEAERN CN(Cc1ccc(F)cc1)C(=O)c1ccccn1 ZINC000049945648 387789945 /nfs/dbraw/zinc/78/99/45/387789945.db2.gz AUVCFQWGLIURGF-UHFFFAOYSA-N 0 0 244.269 2.493 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000051989496 177894747 /nfs/dbraw/zinc/89/47/47/177894747.db2.gz OTSHHDVIANVFQV-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1cc(C)c2c3nn(C)c(=O)c-3c[nH]c2c1 ZINC000053994837 177883770 /nfs/dbraw/zinc/88/37/70/177883770.db2.gz UUOZXDPGJCPQLQ-UHFFFAOYSA-N 0 0 227.267 2.032 10 0 BEAERN CCOc1c(C=O)ccc(C#N)c1OC(F)F ZINC000575637820 387832154 /nfs/dbraw/zinc/83/21/54/387832154.db2.gz ACLSNGSUXFNDEH-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(C#N)c(OC(F)F)c(C=O)c1 ZINC000575638113 387832277 /nfs/dbraw/zinc/83/22/77/387832277.db2.gz DPBLMYRUJPPNBN-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1c(N)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575638307 387833566 /nfs/dbraw/zinc/83/35/66/387833566.db2.gz RCOYLHUGRYZZCX-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1c([N+](=O)[O-])ccc(C(F)(F)F)c1CO ZINC000575638349 387833662 /nfs/dbraw/zinc/83/36/62/387833662.db2.gz PVKYRUBLSRJLCZ-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(OCC)c(C=O)cc1C#N ZINC000575638268 387833676 /nfs/dbraw/zinc/83/36/76/387833676.db2.gz POSTWQAEOOCVAA-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(OC)cc(C#N)c1OCC ZINC000575638770 387834088 /nfs/dbraw/zinc/83/40/88/387834088.db2.gz UPMMCLWYGMVOCK-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN CCc1cc(C#N)c(OC(F)F)cc1CO ZINC000575639448 387835726 /nfs/dbraw/zinc/83/57/26/387835726.db2.gz ICZCRIHKTAZKBO-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN CCc1cc(C#N)c(OC(F)F)c(CO)c1 ZINC000575639145 387836168 /nfs/dbraw/zinc/83/61/68/387836168.db2.gz DNXIRRNARXMALK-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN CCc1c(CO)ccc(C#N)c1OC(F)F ZINC000575639594 387837098 /nfs/dbraw/zinc/83/70/98/387837098.db2.gz IVXOZWCHIYLMOY-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN N#Cc1ccc(OC(F)F)c(C=O)c1F ZINC000575639584 387837219 /nfs/dbraw/zinc/83/72/19/387837219.db2.gz IUAYHVJQSUJWMZ-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(C#N)c(C(C)=O)cc1OC(F)F ZINC000575640349 387837823 /nfs/dbraw/zinc/83/78/23/387837823.db2.gz NQHZHJJDVKAURU-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(OC(F)F)cc(C#N)c1CO ZINC000575640106 387837834 /nfs/dbraw/zinc/83/78/34/387837834.db2.gz UXULTMFIMGYJKP-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN N#Cc1cc(OC(F)F)c(F)cc1C=O ZINC000575640423 387839193 /nfs/dbraw/zinc/83/91/93/387839193.db2.gz OJHTZUGIWVDKKP-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC(=O)c1cc(C)c(N)cc1OC(F)(F)F ZINC000575640503 387839721 /nfs/dbraw/zinc/83/97/21/387839721.db2.gz NEEHAKVIASXPFH-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCc1cc(C(F)F)c(C(N)=O)cc1C#N ZINC000575640878 387839999 /nfs/dbraw/zinc/83/99/99/387839999.db2.gz JNUSBHCUPOXJFM-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN Cc1cc(C#N)cc(OC(F)F)c1C=O ZINC000575641010 387840820 /nfs/dbraw/zinc/84/08/20/387840820.db2.gz LPDQPWBSTAETAW-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CCc1cc(C(F)F)cc(C#N)c1C(N)=O ZINC000575641187 387840859 /nfs/dbraw/zinc/84/08/59/387840859.db2.gz LPDUDQOFJBARMP-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COc1ccc(C)c(OC(F)F)c1C#N ZINC000575640998 387841203 /nfs/dbraw/zinc/84/12/03/387841203.db2.gz LKQBYASKRWGAOJ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCc1cc(OC(F)F)cc(CO)c1C#N ZINC000575640954 387841281 /nfs/dbraw/zinc/84/12/81/387841281.db2.gz QOUJGRMSUVMAOA-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)c(N)cc1C ZINC000575641508 387844796 /nfs/dbraw/zinc/84/47/96/387844796.db2.gz VFFBSALPSRWQHJ-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCc1cc(C#N)cc(C(N)=O)c1C(F)F ZINC000575642029 387845570 /nfs/dbraw/zinc/84/55/70/387845570.db2.gz RUIJQXBINUGDNF-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCOc1c(C#N)cc(C(F)F)cc1CO ZINC000575642181 387845710 /nfs/dbraw/zinc/84/57/10/387845710.db2.gz TVMNNRKNARMDER-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1cc(C#N)cc(OC(F)F)c1C ZINC000575642136 387845941 /nfs/dbraw/zinc/84/59/41/387845941.db2.gz YBXQZCKVKIOCMF-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCCNC(=O)C[C@H](C)c1cccnc1 ZINC000062617637 387853361 /nfs/dbraw/zinc/85/33/61/387853361.db2.gz OOHARCDFJAOSCD-JTQLQIEISA-N 0 0 206.289 2.101 10 0 BEAERN CC[C@@H](C)NC(=O)C[C@H](C)c1cccnc1 ZINC000062618323 387854034 /nfs/dbraw/zinc/85/40/34/387854034.db2.gz MVYSPRJVUMGCLP-WDEREUQCSA-N 0 0 220.316 2.490 10 0 BEAERN O=C(C1CC1)N1CCn2c(cc3ccccc32)C1 ZINC000062616441 387854232 /nfs/dbraw/zinc/85/42/32/387854232.db2.gz SDLLBSGSHIWSMP-UHFFFAOYSA-N 0 0 240.306 2.394 10 0 BEAERN Cc1nnc(CN[C@@H](C)c2ccccc2C)[nH]1 ZINC000293128038 387858635 /nfs/dbraw/zinc/85/86/35/387858635.db2.gz LDDUXMIZLBALFC-JTQLQIEISA-N 0 0 230.315 2.272 10 0 BEAERN CCOc1ccc(CC)c(C=O)c1C#N ZINC000575642752 387864308 /nfs/dbraw/zinc/86/43/08/387864308.db2.gz GEBAITWNEWOJPK-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Cc1ccc(Br)c(C=O)c1N ZINC000130198465 387864669 /nfs/dbraw/zinc/86/46/69/387864669.db2.gz HHRFSFKJBXLSAJ-UHFFFAOYSA-N 0 0 214.062 2.152 10 0 BEAERN N#Cc1c(F)cc(C(F)F)cc1CO ZINC000575643483 387864887 /nfs/dbraw/zinc/86/48/87/387864887.db2.gz QVMKBYQVVNRBAM-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN O=Cc1cc(Cl)cnc1OC(F)F ZINC000238532494 387874590 /nfs/dbraw/zinc/87/45/90/387874590.db2.gz FREZWUDFJIVICB-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN CCOc1ccc(C=O)c(CC)c1C#N ZINC000575643095 387865717 /nfs/dbraw/zinc/86/57/17/387865717.db2.gz MGVSMVJQFSZANZ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C=O)c(C#N)cc1CC ZINC000575642916 387866425 /nfs/dbraw/zinc/86/64/25/387866425.db2.gz KHNZGZSZGOYDGG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1c(C=O)ccc(CC)c1C#N ZINC000575644181 387869786 /nfs/dbraw/zinc/86/97/86/387869786.db2.gz VPHYSEHCAGFNMU-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1c(F)cc(CO)cc1C(F)F ZINC000575644073 387870520 /nfs/dbraw/zinc/87/05/20/387870520.db2.gz VJEXUBGJTQSHOM-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCOc1c(C)cc(C#N)cc1C(C)=O ZINC000575643965 387871273 /nfs/dbraw/zinc/87/12/73/387871273.db2.gz ACDUWTSNEZUDIF-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1ccc(CC)c(C#N)c1C=O ZINC000575644348 387872184 /nfs/dbraw/zinc/87/21/84/387872184.db2.gz ZFGAVOJMLCJTDC-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1cc(F)cc(OC(F)(F)F)c1C=O ZINC000575650102 387890125 /nfs/dbraw/zinc/89/01/25/387890125.db2.gz WFQQEWIMAGSURM-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCc1cc(C(N)=O)c(C#N)cc1C(F)(F)F ZINC000575650799 387891334 /nfs/dbraw/zinc/89/13/34/387891334.db2.gz YKXJHBMILULWPZ-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1cc(OC(F)F)c(O)cc1C=O ZINC000575653632 387895649 /nfs/dbraw/zinc/89/56/49/387895649.db2.gz LLTFDUGWFGUQCC-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(O)c(CO)c(OC(F)F)c1 ZINC000575653888 387896093 /nfs/dbraw/zinc/89/60/93/387896093.db2.gz QIFUHDJUJMAWNC-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1c(O)c(OC(F)F)ccc1CO ZINC000575654185 387897815 /nfs/dbraw/zinc/89/78/15/387897815.db2.gz WPEJXNNZAPUYKD-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN COc1cc(C#N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575645637 387875040 /nfs/dbraw/zinc/87/50/40/387875040.db2.gz BLNAJVRVUSIZKH-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN CCc1cc(C=O)c(C#N)c(C(C)=O)c1 ZINC000575645907 387876968 /nfs/dbraw/zinc/87/69/68/387876968.db2.gz LKEWSLNFPZFJAH-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN N#Cc1cc(C=O)c(OC(F)(F)F)cc1F ZINC000575644628 387877026 /nfs/dbraw/zinc/87/70/26/387877026.db2.gz AMLHSMPHWKANDF-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCOc1c(C#N)ccc(C(C)=O)c1OC ZINC000575646445 387879897 /nfs/dbraw/zinc/87/98/97/387879897.db2.gz IQRSPJSYEZWVSW-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1c(C#N)cc(C)cc1C(C)=O ZINC000575647901 387880738 /nfs/dbraw/zinc/88/07/38/387880738.db2.gz MJLNIBSWTYAFID-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCc1cc(C#N)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575646502 387881553 /nfs/dbraw/zinc/88/15/53/387881553.db2.gz ILXHCHHOBXLXCL-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCOc1cc(C#N)c(OCC)cc1F ZINC000575648510 387884315 /nfs/dbraw/zinc/88/43/15/387884315.db2.gz FCZGFOYNATXFHE-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCOc1c(C#N)cc([N+](=O)[O-])cc1C(C)=O ZINC000575651002 387884899 /nfs/dbraw/zinc/88/48/99/387884899.db2.gz UHSOHAVJYNKTLY-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCc1cc(C(C)=O)cc([N+](=O)[O-])c1C#N ZINC000575649155 387886528 /nfs/dbraw/zinc/88/65/28/387886528.db2.gz UIWKLIMRTSVDAB-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCOc1cc(OC)cc(C(C)=O)c1C#N ZINC000575649749 387888282 /nfs/dbraw/zinc/88/82/82/387888282.db2.gz SNBZORYWAVEWAJ-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCn1c(C)nnc1CSc1ccccn1 ZINC000194659448 387888910 /nfs/dbraw/zinc/88/89/10/387888910.db2.gz JKCZPMQHHXWAHO-UHFFFAOYSA-N 0 0 234.328 2.294 10 0 BEAERN OCc1c(O)cc(C(F)F)cc1OC(F)F ZINC000575651720 387899204 /nfs/dbraw/zinc/89/92/04/387899204.db2.gz ANGCKGRIDRZAJX-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN OCc1cc(OC(F)F)cc(O)c1C(F)F ZINC000575652178 387901105 /nfs/dbraw/zinc/90/11/05/387901105.db2.gz LMHBCSXVLAWXEJ-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Cc1cc(CO)cc(OC(F)F)c1C ZINC000575652642 387902250 /nfs/dbraw/zinc/90/22/50/387902250.db2.gz JLARUYZQGXIRIT-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN Cc1ccccc1NCc1nnnn1C(C)C ZINC000194980973 387902608 /nfs/dbraw/zinc/90/26/08/387902608.db2.gz OAMKKIDPCNDGTA-UHFFFAOYSA-N 0 0 231.303 2.175 10 0 BEAERN CCc1nnc(CN([C@@H](C)C2CC2)C2CC2)n1C ZINC000195068088 387902908 /nfs/dbraw/zinc/90/29/08/387902908.db2.gz JUQRWLLBSFABNV-JTQLQIEISA-N 0 0 248.374 2.140 10 0 BEAERN Cc1cc(C)c(-c2cnc(=O)[nH]c2)c(C)c1 ZINC000049815638 177834687 /nfs/dbraw/zinc/83/46/87/177834687.db2.gz RSWZKSMQBUPDSO-UHFFFAOYSA-N 0 0 214.268 2.362 10 0 BEAERN CSCC(=O)NCCC1CCCC1 ZINC000044705536 387940539 /nfs/dbraw/zinc/94/05/39/387940539.db2.gz UDNNEBGDVGOBOF-UHFFFAOYSA-N 0 0 201.335 2.046 10 0 BEAERN CC[C@@]1(Nc2ccnc(F)c2)CCOC1 ZINC000306312889 387967725 /nfs/dbraw/zinc/96/77/25/387967725.db2.gz OJELAFHXWYHJDX-LLVKDONJSA-N 0 0 210.252 2.202 10 0 BEAERN CCC1CCC(NC(=O)N[C@@H]2CCOC2)CC1 ZINC000159269568 388004975 /nfs/dbraw/zinc/00/49/75/388004975.db2.gz MJLXOMRFBAHVEN-HTAVTVPLSA-N 0 0 240.347 2.043 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246139092 388014632 /nfs/dbraw/zinc/01/46/32/388014632.db2.gz CXHUUUAWYFAHEJ-WHOHXGKFSA-N 0 0 227.348 2.210 10 0 BEAERN O=C(c1ccco1)N1CCC(c2cc[nH]n2)CC1 ZINC000082277797 388022623 /nfs/dbraw/zinc/02/26/23/388022623.db2.gz JGKMJSHVNSQAMU-UHFFFAOYSA-N 0 0 245.282 2.023 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000068543051 388034108 /nfs/dbraw/zinc/03/41/08/388034108.db2.gz GGKHBTCJXJCMIA-GHMZBOCLSA-N 0 0 242.363 2.240 10 0 BEAERN CCNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000082686878 388040996 /nfs/dbraw/zinc/04/09/96/388040996.db2.gz PLZLHVUSHAMILV-JTQLQIEISA-N 0 0 220.320 2.145 10 0 BEAERN c1ncn([C@@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)n1 ZINC000246282165 388028069 /nfs/dbraw/zinc/02/80/69/388028069.db2.gz SQOSOKJVZSZJFB-CHWSQXEVSA-N 0 0 232.331 2.024 10 0 BEAERN C[C@H](CC(=O)NCc1c[nH]cn1)C(C)(C)C ZINC000084081757 388070840 /nfs/dbraw/zinc/07/08/40/388070840.db2.gz SDDBSULWJHVSMB-SECBINFHSA-N 0 0 223.320 2.098 10 0 BEAERN CCCc1nsc(NC[C@H]2CCC[C@H]2O)n1 ZINC000084234302 388076849 /nfs/dbraw/zinc/07/68/49/388076849.db2.gz YKQJAISSUVXXDZ-RKDXNWHRSA-N 0 0 241.360 2.064 10 0 BEAERN CN(Cc1nnc(C2CC2)n1C)C1CCCCC1 ZINC000195007726 388082440 /nfs/dbraw/zinc/08/24/40/388082440.db2.gz SMSFDUIFPRINEA-UHFFFAOYSA-N 0 0 248.374 2.457 10 0 BEAERN C[C@@H](NC(N)=O)c1ccc(Cl)s1 ZINC000042295789 388086847 /nfs/dbraw/zinc/08/68/47/388086847.db2.gz DJUYXCFFDMFDEW-SCSAIBSYSA-N 0 0 204.682 2.131 10 0 BEAERN O=C1CCN(CCc2ccc(F)cc2F)CC1 ZINC000082549436 388122066 /nfs/dbraw/zinc/12/20/66/388122066.db2.gz CFWIEPWNTYBIGS-UHFFFAOYSA-N 0 0 239.265 2.172 10 0 BEAERN C[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000457002813 388236544 /nfs/dbraw/zinc/23/65/44/388236544.db2.gz NNECXIQZHKOZIP-WOPDTQHZSA-N 0 0 241.375 2.288 10 0 BEAERN CC/C=C\CNCc1csc(COC)n1 ZINC000648716668 388242687 /nfs/dbraw/zinc/24/26/87/388242687.db2.gz UFVSWNACIRBEHN-PLNGDYQASA-N 0 0 226.345 2.345 10 0 BEAERN Cc1coc(C)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000170232232 388270632 /nfs/dbraw/zinc/27/06/32/388270632.db2.gz BNUNWJXPTCEJTH-UWVGGRQHSA-N 0 0 237.299 2.146 10 0 BEAERN CC(C)(C)Nc1nc(F)ncc1Cl ZINC000575519792 388357385 /nfs/dbraw/zinc/35/73/85/388357385.db2.gz VSOPIDCTPKMUJA-UHFFFAOYSA-N 0 0 203.648 2.480 10 0 BEAERN Nc1noc([C@@H]2C[C@H]2C2CC2)c1Br ZINC000575521962 388357862 /nfs/dbraw/zinc/35/78/62/388357862.db2.gz UUVCISASDKYZSD-NTSWFWBYSA-N 0 0 243.104 2.363 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@@H]2CC[C@@H]2C1 ZINC000575524273 388359128 /nfs/dbraw/zinc/35/91/28/388359128.db2.gz CFTOFHCOMBRTEC-BETUJISGSA-N 0 0 230.311 2.238 10 0 BEAERN O=C1NCC[C@H]1c1ccc(Br)cc1 ZINC000057533299 388362396 /nfs/dbraw/zinc/36/23/96/388362396.db2.gz PXLHRXBAPOJJPB-VIFPVBQESA-N 0 0 240.100 2.053 10 0 BEAERN CO[C@H](C)[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000300400806 388367018 /nfs/dbraw/zinc/36/70/18/388367018.db2.gz ZURLPJGBLINZJQ-OPRDCNLKSA-N 0 0 212.293 2.057 10 0 BEAERN CCC1CCC(NC(=O)c2ccnc(C)n2)CC1 ZINC000193524862 388367044 /nfs/dbraw/zinc/36/70/44/388367044.db2.gz HBUDSPVTUQLRQG-UHFFFAOYSA-N 0 0 247.342 2.484 10 0 BEAERN C[C@@H]1C[C@H]1CNc1ncncc1Br ZINC000133018744 388376152 /nfs/dbraw/zinc/37/61/52/388376152.db2.gz DLESEBLUOCDECE-RQJHMYQMSA-N 0 0 242.120 2.307 10 0 BEAERN CC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175754015 388440656 /nfs/dbraw/zinc/44/06/56/388440656.db2.gz ATPVPDWDDPDSPC-ZJUUUORDSA-N 0 0 243.347 2.221 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)C(C)(C)C2CCC2)C1 ZINC000334745761 388447042 /nfs/dbraw/zinc/44/70/42/388447042.db2.gz KPCXQCBMIAECBJ-ZYHUDNBSSA-N 0 0 239.359 2.042 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2C[C@@H]2C(F)F)n1 ZINC000336615384 388458442 /nfs/dbraw/zinc/45/84/42/388458442.db2.gz XOGYCUPRSMMZEQ-BQBZGAKWSA-N 0 0 231.221 2.298 10 0 BEAERN C[C@H]1CCCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195116912 388460417 /nfs/dbraw/zinc/46/04/17/388460417.db2.gz WOVUCZIXDAOMJS-NSHDSACASA-N 0 0 248.374 2.315 10 0 BEAERN CC(C)Cc1ccc2ccc(N)nc2n1 ZINC000142132684 388412989 /nfs/dbraw/zinc/41/29/89/388412989.db2.gz FXJDZNBNYWPRNN-UHFFFAOYSA-N 0 0 201.273 2.411 10 0 BEAERN CCCN(C)C(=O)c1ccncc1CC ZINC000136720624 388546621 /nfs/dbraw/zinc/54/66/21/388546621.db2.gz CSAVCQOADVJTGI-UHFFFAOYSA-N 0 0 206.289 2.126 10 0 BEAERN O=C1Nc2ccc(Cl)cc2N2CCC[C@@H]12 ZINC000066054724 388547226 /nfs/dbraw/zinc/54/72/26/388547226.db2.gz PDHONWBJNNMNLJ-VIFPVBQESA-N 0 0 222.675 2.261 10 0 BEAERN CCCC[C@H](NCC1(C)CCC1)C(=O)OC ZINC000135241496 388487304 /nfs/dbraw/zinc/48/73/04/388487304.db2.gz ZILDHSDLGZSXPF-NSHDSACASA-N 0 0 227.348 2.498 10 0 BEAERN Cc1cnc(N[C@H]2CCCCC[C@H]2O)nc1C ZINC000340976975 388493482 /nfs/dbraw/zinc/49/34/82/388493482.db2.gz MJQATOOKAGLEAR-NWDGAFQWSA-N 0 0 235.331 2.199 10 0 BEAERN CC1(CNC(=O)CC2CCCCCC2)COC1 ZINC000135811251 388509259 /nfs/dbraw/zinc/50/92/59/388509259.db2.gz VHBGYCOAHJJNJD-UHFFFAOYSA-N 0 0 239.359 2.500 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)(C)C ZINC000345192520 388511408 /nfs/dbraw/zinc/51/14/08/388511408.db2.gz DLTHSVIKCYBWBI-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN COC(=O)COc1ccc2ccc(O)cc2c1 ZINC000082298414 388587360 /nfs/dbraw/zinc/58/73/60/388587360.db2.gz YAGFCVNXUNHEHQ-UHFFFAOYSA-N 0 0 232.235 2.097 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@@H](C)CCOC)o1 ZINC000136975007 388554108 /nfs/dbraw/zinc/55/41/08/388554108.db2.gz ZCEVLLNIOPMAHW-JTQLQIEISA-N 0 0 239.315 2.305 10 0 BEAERN Cc1sc2[nH]c(CF)nc(=O)c2c1C ZINC000103185026 388582619 /nfs/dbraw/zinc/58/26/19/388582619.db2.gz IIIPMHVVDAFIIT-UHFFFAOYSA-N 0 0 212.249 2.071 10 0 BEAERN CC[C@@H](C)N(C)C(=O)[C@H](C)C1CCOCC1 ZINC000126017163 388686476 /nfs/dbraw/zinc/68/64/76/388686476.db2.gz GIHMNXPMTLBTEQ-GHMZBOCLSA-N 0 0 227.348 2.306 10 0 BEAERN O=Cc1cc(F)c(Br)s1 ZINC000575441880 388634910 /nfs/dbraw/zinc/63/49/10/388634910.db2.gz DVLDJKWTQWRZAV-UHFFFAOYSA-N 0 0 209.039 2.462 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000249854229 388734484 /nfs/dbraw/zinc/73/44/84/388734484.db2.gz FVFFKVJTRWOWHF-FDYHWXHSSA-N 0 0 239.359 2.496 10 0 BEAERN CCc1onc(C)c1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000089391854 388737217 /nfs/dbraw/zinc/73/72/17/388737217.db2.gz XLTVODYXTSNWMC-XCBNKYQSSA-N 0 0 238.287 2.051 10 0 BEAERN CCCN(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000194680535 388739591 /nfs/dbraw/zinc/73/95/91/388739591.db2.gz QNFBVXXFJHVFHI-LLVKDONJSA-N 0 0 234.299 2.172 10 0 BEAERN CCC(CC)NC(=O)NCC(CC)(CC)CO ZINC000126463019 388696014 /nfs/dbraw/zinc/69/60/14/388696014.db2.gz HGUSEGZWPXAJJC-UHFFFAOYSA-N 0 0 244.379 2.273 10 0 BEAERN CCC[C@H](CC)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000195279334 388703809 /nfs/dbraw/zinc/70/38/09/388703809.db2.gz MMPSIFZKGYXZHH-WOPDTQHZSA-N 0 0 242.363 2.432 10 0 BEAERN CSCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000127049880 388712151 /nfs/dbraw/zinc/71/21/51/388712151.db2.gz JBANYDYZZWYELT-SSDOTTSWSA-N 0 0 241.278 2.150 10 0 BEAERN CSCCCC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000127310346 388720163 /nfs/dbraw/zinc/72/01/63/388720163.db2.gz AFVDELJOKHUSPF-UWVGGRQHSA-N 0 0 245.388 2.202 10 0 BEAERN CCN(CC(C)C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000194130942 388723616 /nfs/dbraw/zinc/72/36/16/388723616.db2.gz QFJZXJPKPIZYOV-NEPJUHHUSA-N 0 0 242.363 2.241 10 0 BEAERN NC(=O)c1ccc(Cl)cc1NCC1CC1 ZINC000127693841 388730175 /nfs/dbraw/zinc/73/01/75/388730175.db2.gz PBICGYVXUWXFKS-UHFFFAOYSA-N 0 0 224.691 2.261 10 0 BEAERN CO[C@@H](C)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000128779249 388793424 /nfs/dbraw/zinc/79/34/24/388793424.db2.gz QZIHHJPSHXPZTQ-OLZOCXBDSA-N 0 0 249.354 2.419 10 0 BEAERN Brc1ccc(-c2ccsn2)nn1 ZINC000575458117 388794432 /nfs/dbraw/zinc/79/44/32/388794432.db2.gz KQTSVTJILFYHFO-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN CCCC[C@H](COC)NC(=O)CCSC ZINC000128829701 388798118 /nfs/dbraw/zinc/79/81/18/388798118.db2.gz DOWRUPIFJYYMEG-SNVBAGLBSA-N 0 0 233.377 2.061 10 0 BEAERN CCSc1cccc(NC(N)=S)c1 ZINC000575459604 388804156 /nfs/dbraw/zinc/80/41/56/388804156.db2.gz MRTVWEIELPCNEQ-UHFFFAOYSA-N 0 0 212.343 2.454 10 0 BEAERN Cc1ccc(CNC(=O)[C@H]2CC[C@H](C)O2)c(C)c1 ZINC000128960367 388805870 /nfs/dbraw/zinc/80/58/70/388805870.db2.gz CJKCTFLAJHQZBR-GXTWGEPZSA-N 0 0 247.338 2.487 10 0 BEAERN CCS(=O)(=O)C[C@H](C)Nc1ccccc1C ZINC000129008524 388809910 /nfs/dbraw/zinc/80/99/10/388809910.db2.gz LBENGFCLWFMPNL-NSHDSACASA-N 0 0 241.356 2.230 10 0 BEAERN CC(C)c1ccc(C(=O)NCC2CC(O)C2)cc1 ZINC000091525212 388765349 /nfs/dbraw/zinc/76/53/49/388765349.db2.gz QFXUCGUZBXYBOI-UHFFFAOYSA-N 0 0 247.338 2.311 10 0 BEAERN CC1(CNC(=O)Cc2ccoc2)CCC1 ZINC000128543485 388770147 /nfs/dbraw/zinc/77/01/47/388770147.db2.gz BUPUNMAAAGNQTE-UHFFFAOYSA-N 0 0 207.273 2.129 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1N ZINC000020522389 388774028 /nfs/dbraw/zinc/77/40/28/388774028.db2.gz QWILDMAHBINULZ-JTQLQIEISA-N 0 0 220.316 2.352 10 0 BEAERN CC[C@H](COC)N[C@@H](C)c1ncc(C)o1 ZINC000230095793 388814551 /nfs/dbraw/zinc/81/45/51/388814551.db2.gz AAZAVLRHLMMGMJ-VHSXEESVSA-N 0 0 212.293 2.059 10 0 BEAERN FC(F)Oc1cnccc1Br ZINC000096395124 388817370 /nfs/dbraw/zinc/81/73/70/388817370.db2.gz FQVRQWGVONMPNA-UHFFFAOYSA-N 0 0 224.004 2.446 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N[C@H](CO)c1ccccc1 ZINC000230171538 388819186 /nfs/dbraw/zinc/81/91/86/388819186.db2.gz ABDUPLXMDAGHFC-IACUBPJLSA-N 0 0 247.338 2.272 10 0 BEAERN Fc1cccc(N[C@H]2CCO[C@H]2C2CC2)n1 ZINC000230308600 388821956 /nfs/dbraw/zinc/82/19/56/388821956.db2.gz JBTLMPTZYZHBNW-CABZTGNLSA-N 0 0 222.263 2.200 10 0 BEAERN Nc1c([C@@H]2CCCO2)ncn1Cc1ccccc1 ZINC000575466672 388838071 /nfs/dbraw/zinc/83/80/71/388838071.db2.gz BGCVIHXYHPHFKF-LBPRGKRZSA-N 0 0 243.310 2.365 10 0 BEAERN O=C(Cc1ccccc1O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000649124098 388840585 /nfs/dbraw/zinc/84/05/85/388840585.db2.gz XAUCMQUMQSAVIF-CYZMBNFOSA-N 0 0 245.322 2.240 10 0 BEAERN S=C1N=NCN1[C@@H]1CCCSCC1 ZINC000575469041 388842209 /nfs/dbraw/zinc/84/22/09/388842209.db2.gz VAIZUMGBFFRLEO-SSDOTTSWSA-N 0 0 215.347 2.025 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cc(F)ccc1O ZINC000649124297 388842658 /nfs/dbraw/zinc/84/26/58/388842658.db2.gz ZIKDRZRSHHGSDG-MKPLZMMCSA-N 0 0 249.285 2.450 10 0 BEAERN CCN(CCO)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163088300 388857941 /nfs/dbraw/zinc/85/79/41/388857941.db2.gz YSNWBJPBNIFJMN-CHWSQXEVSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CC[C@H]1Nc1cnn(C)c1Br ZINC000575478609 388859892 /nfs/dbraw/zinc/85/98/92/388859892.db2.gz IJKHZZGYMWHJJY-RNFRBKRXSA-N 0 0 244.136 2.393 10 0 BEAERN CC(C)CNc1cnn(C)c1Br ZINC000575478488 388860386 /nfs/dbraw/zinc/86/03/86/388860386.db2.gz GZQXIECHCDEAQB-UHFFFAOYSA-N 0 0 232.125 2.251 10 0 BEAERN COC(=O)Cc1ccc(C)nc1OC(F)(F)F ZINC000575375109 388883906 /nfs/dbraw/zinc/88/39/06/388883906.db2.gz NZERJYZUYUDVHT-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN COC(=O)Cc1nccc(OC(F)(F)F)c1C ZINC000575375011 388884036 /nfs/dbraw/zinc/88/40/36/388884036.db2.gz GUQKHIUVFRSCJB-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cccc(F)c1 ZINC000112635480 177678306 /nfs/dbraw/zinc/67/83/06/177678306.db2.gz GFIAOEVZUXASDE-UHFFFAOYSA-N 0 0 219.219 2.110 10 0 BEAERN Cc1cc(-c2ccccc2)oc(=O)c1N ZINC000090376874 177684948 /nfs/dbraw/zinc/68/49/48/177684948.db2.gz IXSOFSWSTHTOIJ-UHFFFAOYSA-N 0 0 201.225 2.197 10 0 BEAERN C[C@H]1CSC[C@@H]1Nc1cnsc1 ZINC000575493333 388947306 /nfs/dbraw/zinc/94/73/06/388947306.db2.gz FEMKLOGQCLRJOS-XPUUQOCRSA-N 0 0 200.332 2.307 10 0 BEAERN C[C@@H](C(=O)NC[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000273238053 389039758 /nfs/dbraw/zinc/03/97/58/389039758.db2.gz QBRRJTSJKBQMKP-DGCLKSJQSA-N 0 0 249.354 2.313 10 0 BEAERN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)ccc1N ZINC000035082272 132337646 /nfs/dbraw/zinc/33/76/46/132337646.db2.gz UBAVWGNHNORRIO-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN CCc1ccc(N2CCCOC2=O)cc1N ZINC000041054550 132349204 /nfs/dbraw/zinc/34/92/04/132349204.db2.gz DNWDBGSODBHKPP-UHFFFAOYSA-N 0 0 220.272 2.178 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N[C@@H]1CCCSC1 ZINC000061575804 1172686267 /nfs/dbraw/zinc/68/62/67/1172686267.db2.gz WCLHNDNUJQBDNH-GHMZBOCLSA-N 0 0 245.388 2.059 10 0 BEAERN Nc1ccc(Cl)cc1C(=O)Nc1cnoc1 ZINC000061685070 1172695931 /nfs/dbraw/zinc/69/59/31/1172695931.db2.gz CLKQHGZFJBTHDO-UHFFFAOYSA-N 0 0 237.646 2.163 10 0 BEAERN CCC(C)(C)NC(=O)CN[C@H](C)c1ccccn1 ZINC000042225008 322837107 /nfs/dbraw/zinc/83/71/07/322837107.db2.gz XLGYVRIIEKLCCK-LLVKDONJSA-N 0 0 249.358 2.037 10 0 BEAERN Cc1cc(N2CCS[C@@H](C)C2)nc(C)n1 ZINC000264086542 132178285 /nfs/dbraw/zinc/17/82/85/132178285.db2.gz AOJJGNRUTMCYFD-VIFPVBQESA-N 0 0 223.345 2.035 10 0 BEAERN Nc1cccc2c1CCCN2C(=O)C1CCC1 ZINC000126533222 132229980 /nfs/dbraw/zinc/22/99/80/132229980.db2.gz MNPMZBBHRUKKOQ-UHFFFAOYSA-N 0 0 230.311 2.348 10 0 BEAERN C[C@H]1Oc2c(Cl)cccc2N(C)C1=O ZINC000062525429 132239915 /nfs/dbraw/zinc/23/99/15/132239915.db2.gz HNTVWCAQUXYWGL-ZCFIWIBFSA-N 0 0 211.648 2.084 10 0 BEAERN C[C@@H]1CN(C)c2cc(Cl)cc(N)c2O1 ZINC000062525807 132240010 /nfs/dbraw/zinc/24/00/10/132240010.db2.gz LMNSPCQJTFLNRF-ZCFIWIBFSA-N 0 0 212.680 2.139 10 0 BEAERN C[C@@H]1[C@H](C)SCCN1c1ccccn1 ZINC000301258818 132252268 /nfs/dbraw/zinc/25/22/68/132252268.db2.gz CHHIGDPWTDIUNR-ZJUUUORDSA-N 0 0 208.330 2.412 10 0 BEAERN COCCCN1CCCc2c(N)cccc21 ZINC000037906029 132295577 /nfs/dbraw/zinc/29/55/77/132295577.db2.gz ZZKVZOWAOWQKKL-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN C[C@@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 ZINC000040351497 132296153 /nfs/dbraw/zinc/29/61/53/132296153.db2.gz IAZPSIOCANNBQK-SNVBAGLBSA-N 0 0 243.310 2.159 10 0 BEAERN O=S1(=O)CCCCN1c1cccc(Cl)c1 ZINC000041296777 132297146 /nfs/dbraw/zinc/29/71/46/132297146.db2.gz RXLGUXUADHKNGT-UHFFFAOYSA-N 0 0 245.731 2.270 10 0 BEAERN CC1CCN(c2nc(C(C)(C)C)cc(=O)[nH]2)CC1 ZINC000057330840 132301102 /nfs/dbraw/zinc/30/11/02/132301102.db2.gz OHFFIVGUUWCPLO-UHFFFAOYSA-N 0 0 249.358 2.304 10 0 BEAERN C[C@H]1CCCN(c2n[nH]c(=O)c3ccccc32)C1 ZINC000073666662 132303284 /nfs/dbraw/zinc/30/32/84/132303284.db2.gz UFOLDFWLXQRSKV-JTQLQIEISA-N 0 0 243.310 2.159 10 0 BEAERN C[C@@H]1CCCN(c2[nH]c(=O)nc3ccccc32)C1 ZINC000073666767 132303486 /nfs/dbraw/zinc/30/34/86/132303486.db2.gz ZOJMVJCTUSWKMS-SNVBAGLBSA-N 0 0 243.310 2.159 10 0 BEAERN C[C@@H]1CCCN(c2n[nH]c(=O)c3ccccc32)C1 ZINC000073666657 132303554 /nfs/dbraw/zinc/30/35/54/132303554.db2.gz UFOLDFWLXQRSKV-SNVBAGLBSA-N 0 0 243.310 2.159 10 0 BEAERN C[C@H]1[C@H](O)CCCN1c1ncnc2ccsc21 ZINC000294902305 132307725 /nfs/dbraw/zinc/30/77/25/132307725.db2.gz DYDITJSWGXVVGU-WCBMZHEXSA-N 0 0 249.339 2.041 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1c1ncnc2ccsc21 ZINC000294902301 132307846 /nfs/dbraw/zinc/30/78/46/132307846.db2.gz DYDITJSWGXVVGU-SCZZXKLOSA-N 0 0 249.339 2.041 10 0 BEAERN CC(=O)Nc1ccc(N2CCCCC2=O)cc1 ZINC000005441241 132317597 /nfs/dbraw/zinc/31/75/97/132317597.db2.gz NJWZZKWAVVJMOB-UHFFFAOYSA-N 0 0 232.283 2.162 10 0 BEAERN C[C@H]1Oc2ccc(Cl)cc2N(C)C1=O ZINC000005721838 132318061 /nfs/dbraw/zinc/31/80/61/132318061.db2.gz PMUIBIMUWQMEAL-ZCFIWIBFSA-N 0 0 211.648 2.084 10 0 BEAERN CCCC[C@@H]1CN(c2ccccc2)NC(=O)N1 ZINC000013759057 132322453 /nfs/dbraw/zinc/32/24/53/132322453.db2.gz FGTVXKACRZAANT-LLVKDONJSA-N 0 0 233.315 2.280 10 0 BEAERN C[C@@H]1CCc2ccccc2N1CC(N)=S ZINC000019507429 132325644 /nfs/dbraw/zinc/32/56/44/132325644.db2.gz WWIKILAZOASPGP-SECBINFHSA-N 0 0 220.341 2.114 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ncccc2C(N)=S)C1 ZINC000019805752 132327621 /nfs/dbraw/zinc/32/76/21/132327621.db2.gz VIJRSKPARQKSLF-NXEZZACHSA-N 0 0 249.383 2.198 10 0 BEAERN Nc1cccnc1N1CCc2sccc2C1 ZINC000021956580 132332108 /nfs/dbraw/zinc/33/21/08/132332108.db2.gz NABIOXBZFICDRC-UHFFFAOYSA-N 0 0 231.324 2.288 10 0 BEAERN CC(C)Nc1ccccc1N1CCOCC1 ZINC000035022275 132337236 /nfs/dbraw/zinc/33/72/36/132337236.db2.gz UOFLESZGXGTRJE-UHFFFAOYSA-N 0 0 220.316 2.344 10 0 BEAERN Nc1ccc(N2CCC(CO)CC2)c(Cl)c1 ZINC000034959110 132337254 /nfs/dbraw/zinc/33/72/54/132337254.db2.gz WYHBYXUJSBGEDX-UHFFFAOYSA-N 0 0 240.734 2.131 10 0 BEAERN C[C@@H]1CN(c2ccc3cc(N)ccc3n2)CCO1 ZINC000035060491 132337666 /nfs/dbraw/zinc/33/76/66/132337666.db2.gz JRWZTXLMEYGIQY-SNVBAGLBSA-N 0 0 243.310 2.042 10 0 BEAERN OCCCCN1CCCc2ccccc21 ZINC000035649801 132338739 /nfs/dbraw/zinc/33/87/39/132338739.db2.gz ATEDOZVUIOXCKL-UHFFFAOYSA-N 0 0 205.301 2.212 10 0 BEAERN COC(=O)C[C@@H](C)N1CCCc2ccccc21 ZINC000035752086 132339083 /nfs/dbraw/zinc/33/90/83/132339083.db2.gz FBYUYONQBZLZGH-LLVKDONJSA-N 0 0 233.311 2.391 10 0 BEAERN C[C@H]1COCCN1c1ccc(N)c2cnccc21 ZINC000035774282 132339174 /nfs/dbraw/zinc/33/91/74/132339174.db2.gz BTZGRCXKDFQCJB-JTQLQIEISA-N 0 0 243.310 2.042 10 0 BEAERN C[C@@H]1COCCN1c1ccc(Cl)cc1N ZINC000035774444 132339320 /nfs/dbraw/zinc/33/93/20/132339320.db2.gz ABTSXNYYBNHFDY-MRVPVSSYSA-N 0 0 226.707 2.147 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1ccc(F)cc1N ZINC000035783783 132339692 /nfs/dbraw/zinc/33/96/92/132339692.db2.gz QWRGOTXXKMFRAT-BDAKNGLRSA-N 0 0 224.279 2.022 10 0 BEAERN CC1(C)CN(c2ccc(N)cc2F)CCO1 ZINC000036232029 132341012 /nfs/dbraw/zinc/34/10/12/132341012.db2.gz OMQAYXQFGNDTIO-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1cc(N)ccc1N1CCOC(C)(C)C1 ZINC000036231935 132341047 /nfs/dbraw/zinc/34/10/47/132341047.db2.gz BEBRUCJWSGFYRY-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Nc1ccc(N2CCC[C@H](CO)C2)c(Cl)c1 ZINC000036227032 132341077 /nfs/dbraw/zinc/34/10/77/132341077.db2.gz FUAYURRVFGHZJM-VIFPVBQESA-N 0 0 240.734 2.131 10 0 BEAERN CC[C@H]1CN(c2ccc(C=O)cc2F)CCO1 ZINC000036770197 132342684 /nfs/dbraw/zinc/34/26/84/132342684.db2.gz VBWQVUVLHHRKBN-NSHDSACASA-N 0 0 237.274 2.253 10 0 BEAERN C[C@@H]1CN(c2cc(N)cc(F)c2)[C@H](C)CO1 ZINC000037668008 132345121 /nfs/dbraw/zinc/34/51/21/132345121.db2.gz UIWFIRLVTHPZJA-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN C[C@H]1C[C@H]1C(=O)N1CCSc2ccc(N)cc21 ZINC000038051236 132346103 /nfs/dbraw/zinc/34/61/03/132346103.db2.gz MHONLXMYNTVKLJ-WCBMZHEXSA-N 0 0 248.351 2.364 10 0 BEAERN CC(C)C(=O)N1CCSc2ccc(N)cc21 ZINC000038051204 132346137 /nfs/dbraw/zinc/34/61/37/132346137.db2.gz REOJCNVHSBBZFU-UHFFFAOYSA-N 0 0 236.340 2.364 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N1CCSc2ccc(N)cc21 ZINC000038051233 132346170 /nfs/dbraw/zinc/34/61/70/132346170.db2.gz MHONLXMYNTVKLJ-SCZZXKLOSA-N 0 0 248.351 2.364 10 0 BEAERN CC[C@@H]1CCCCN1c1ncnc(Cl)c1N ZINC000040571764 132348137 /nfs/dbraw/zinc/34/81/37/132348137.db2.gz JLKOAEZDDJVBIB-MRVPVSSYSA-N 0 0 240.738 2.481 10 0 BEAERN CCCO[C@H]1CCCN(c2ccc(N)cn2)C1 ZINC000042421209 132351531 /nfs/dbraw/zinc/35/15/31/132351531.db2.gz ZCCVNWTXAVTKBD-LBPRGKRZSA-N 0 0 235.331 2.059 10 0 BEAERN Nc1ccc(N2CCCC[C@H]2CO)c(Cl)c1 ZINC000042432124 132351942 /nfs/dbraw/zinc/35/19/42/132351942.db2.gz HOTRJQYTKGCSSJ-JTQLQIEISA-N 0 0 240.734 2.273 10 0 BEAERN Nc1ccc(Cl)c(N2CCCOC2=O)c1 ZINC000043493330 132353424 /nfs/dbraw/zinc/35/34/24/132353424.db2.gz HXIAUUAHMDPRKZ-UHFFFAOYSA-N 0 0 226.663 2.269 10 0 BEAERN CC(C)(C)CCN1c2cc(N)ccc2OCC1=O ZINC000049254680 132355989 /nfs/dbraw/zinc/35/59/89/132355989.db2.gz CNUREKNCJNSBSU-UHFFFAOYSA-N 0 0 248.326 2.430 10 0 BEAERN COCc1cccc(N2CCC(=O)[C@@H](C)C2)c1 ZINC000049693855 132356422 /nfs/dbraw/zinc/35/64/22/132356422.db2.gz LNAHIFMOELQMTC-NSHDSACASA-N 0 0 233.311 2.248 10 0 BEAERN COCc1ccccc1N1CCC(=O)[C@@H](C)C1 ZINC000049693857 132356577 /nfs/dbraw/zinc/35/65/77/132356577.db2.gz KMVGJNDAHFZJPW-NSHDSACASA-N 0 0 233.311 2.248 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)N1CCCc2ccc(N)cc21 ZINC000051296291 132359736 /nfs/dbraw/zinc/35/97/36/132359736.db2.gz ZYAXJGZIUVWSPO-BXKDBHETSA-N 0 0 230.311 2.204 10 0 BEAERN C[C@H]1CN(c2cc(F)ccc2N)C[C@H](C)O1 ZINC000052118774 132361975 /nfs/dbraw/zinc/36/19/75/132361975.db2.gz PUSUQVQKLYZHLD-IUCAKERBSA-N 0 0 224.279 2.022 10 0 BEAERN Cc1ccc(N)cc1N1C[C@H](C)OC[C@@H]1C ZINC000053734985 132363530 /nfs/dbraw/zinc/36/35/30/132363530.db2.gz HWYURGIXLYFLMU-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN Cc1ccc(N)cc1N1C[C@H](C)O[C@@H](C)C1 ZINC000053734392 132363686 /nfs/dbraw/zinc/36/36/86/132363686.db2.gz LPAADLNWSXVAFU-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN O=C1CCCC(=O)N1c1ccc2c(c1)CCCN2 ZINC000054107767 132363814 /nfs/dbraw/zinc/36/38/14/132363814.db2.gz VXTXMPPPJNDXOZ-UHFFFAOYSA-N 0 0 244.294 2.088 10 0 BEAERN Cc1cc(N2CCCC[C@@H]2CCO)ccc1N ZINC000057454353 132365942 /nfs/dbraw/zinc/36/59/42/132365942.db2.gz HWABGQBKZWMQDZ-GFCCVEGCSA-N 0 0 234.343 2.319 10 0 BEAERN C[C@H]1CCCC[N@@H+]1c1ccc(N)c(C(=O)[O-])c1 ZINC000058013961 132367749 /nfs/dbraw/zinc/36/77/49/132367749.db2.gz XQSCZBGYEUZXOU-VIFPVBQESA-N 0 0 234.299 2.346 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1c1ccc(N)c(C(N)=O)c1 ZINC000058479237 132368422 /nfs/dbraw/zinc/36/84/22/132368422.db2.gz YCSKTYDPNADPQM-AOOOYVTPSA-N 0 0 247.342 2.135 10 0 BEAERN C[C@H]1CCC[C@H](C)N1c1ccc(N)c(C(N)=O)c1 ZINC000058479240 132368446 /nfs/dbraw/zinc/36/84/46/132368446.db2.gz YCSKTYDPNADPQM-UWVGGRQHSA-N 0 0 247.342 2.135 10 0 BEAERN C[C@H](O)c1ccc(N2CCOCC2)c(Cl)c1 ZINC000058826191 132368524 /nfs/dbraw/zinc/36/85/24/132368524.db2.gz VWRVHBRZBBSUPL-VIFPVBQESA-N 0 0 241.718 2.230 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000103355773 132433522 /nfs/dbraw/zinc/43/35/22/132433522.db2.gz WYHVNZDJARAQDW-LLVKDONJSA-N 0 0 233.311 2.248 10 0 BEAERN C[C@H]1CN(c2c(F)cc(N)cc2F)[C@@H](C)CO1 ZINC000216495408 132451679 /nfs/dbraw/zinc/45/16/79/132451679.db2.gz NXOCMYMSQLHNIK-YUMQZZPRSA-N 0 0 242.269 2.161 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCOCC1 ZINC000158135959 133498472 /nfs/dbraw/zinc/49/84/72/133498472.db2.gz LEKJQKIYELBLCL-CHWSQXEVSA-N 0 0 237.343 2.062 10 0 BEAERN O=C1NCCC[C@H]1Sc1ccccc1 ZINC000034217086 133852935 /nfs/dbraw/zinc/85/29/35/133852935.db2.gz PFQWCMOJVWDVMD-SNVBAGLBSA-N 0 0 207.298 2.057 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCC(C(N)=O)CC1 ZINC000335805903 133915407 /nfs/dbraw/zinc/91/54/07/133915407.db2.gz XGSAQLQZJMAOMG-GXSJLCMTSA-N 0 0 238.331 2.196 10 0 BEAERN Cc1nc(C(=O)N2CCCCC(C)(C)C2)no1 ZINC000335874897 133947204 /nfs/dbraw/zinc/94/72/04/133947204.db2.gz FRNATXXZMKRPRV-UHFFFAOYSA-N 0 0 237.303 2.030 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1occ2c1CCC2 ZINC000335974640 134031092 /nfs/dbraw/zinc/03/10/92/134031092.db2.gz ZEKAVKVXGAATLE-AOOOYVTPSA-N 0 0 249.310 2.018 10 0 BEAERN CCC1(O)CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000336179632 134117685 /nfs/dbraw/zinc/11/76/85/134117685.db2.gz RTJQTKHIYAOBKP-VXGBXAGGSA-N 0 0 239.359 2.186 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)c1ncc[nH]1 ZINC000218084904 134251784 /nfs/dbraw/zinc/25/17/84/134251784.db2.gz XTOYHJORAIQYCZ-AXFHLTTASA-N 0 0 235.331 2.413 10 0 BEAERN CCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000170890844 134254445 /nfs/dbraw/zinc/25/44/45/134254445.db2.gz ZLZSYZCBIFGBIP-SECBINFHSA-N 0 0 224.329 2.259 10 0 BEAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)C1CCCC1 ZINC000172186626 134262643 /nfs/dbraw/zinc/26/26/43/134262643.db2.gz BNDFYBQBRVDUPI-YWVKMMECSA-N 0 0 210.321 2.273 10 0 BEAERN COC(C)(C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000219050385 134273587 /nfs/dbraw/zinc/27/35/87/134273587.db2.gz DIIXQTGVGIEFHS-SECBINFHSA-N 0 0 213.321 2.106 10 0 BEAERN O=C(NCC(F)F)N1CCC[C@@H]1c1ccco1 ZINC000174386311 134280862 /nfs/dbraw/zinc/28/08/62/134280862.db2.gz QEOFDYJXXYMGAV-MRVPVSSYSA-N 0 0 244.241 2.391 10 0 BEAERN COC[C@H](C)C(=O)N1CCC(C(C)C)CC1 ZINC000174490852 134282049 /nfs/dbraw/zinc/28/20/49/134282049.db2.gz OLQYGEAYFCMPBW-NSHDSACASA-N 0 0 227.348 2.164 10 0 BEAERN C[C@@H](SC[C@@H](O)CO)c1cc(F)ccc1F ZINC000177443922 134297961 /nfs/dbraw/zinc/29/79/61/134297961.db2.gz XGEAJAQCIVOEBK-APPZFPTMSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000178280748 134305727 /nfs/dbraw/zinc/30/57/27/134305727.db2.gz LKJMZSSQCMWWTR-SCVCMEIPSA-N 0 0 225.332 2.249 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccn(C)c2)o1 ZINC000220950493 134314889 /nfs/dbraw/zinc/31/48/89/134314889.db2.gz CTWGKDCTCHNVOR-SNVBAGLBSA-N 0 0 219.288 2.172 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H]2CCCCO2)o1 ZINC000220921614 134315239 /nfs/dbraw/zinc/31/52/39/134315239.db2.gz FEETVVHPCHFIKZ-WDEREUQCSA-N 0 0 224.304 2.203 10 0 BEAERN CCn1ccnc1CSCc1ccnn1C ZINC000179838167 134324513 /nfs/dbraw/zinc/32/45/13/134324513.db2.gz DUHFBAMDMCEEDQ-UHFFFAOYSA-N 0 0 236.344 2.070 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC23CCCCC3)O1 ZINC000180709775 134331358 /nfs/dbraw/zinc/33/13/58/134331358.db2.gz WFPJTYNPMLDZJP-GRYCIOLGSA-N 0 0 237.343 2.393 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000225661130 134356742 /nfs/dbraw/zinc/35/67/42/134356742.db2.gz FYMHFUIYPKWWGX-TUAOUCFPSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N2CCCC[C@@H](C)C2)O1 ZINC000184379482 134362997 /nfs/dbraw/zinc/36/29/97/134362997.db2.gz IWRZTXIPZRHFJM-WOPDTQHZSA-N 0 0 225.332 2.203 10 0 BEAERN CC[C@H](C)N(C)C(=O)N[C@H](C)C(C)C ZINC000079828299 134392324 /nfs/dbraw/zinc/39/23/24/134392324.db2.gz FUMZWIOXYNJPIS-VHSXEESVSA-N 0 0 200.326 2.471 10 0 BEAERN COC(=O)[C@@H](N[C@@H](C)c1cccs1)C1CC1 ZINC000227767520 134393320 /nfs/dbraw/zinc/39/33/20/134393320.db2.gz JDXROVMABFNWOC-KWQFWETISA-N 0 0 239.340 2.350 10 0 BEAERN Cc1cnc(CN[C@H](C)c2cncc(F)c2)cn1 ZINC000227772836 134394276 /nfs/dbraw/zinc/39/42/76/134394276.db2.gz AIMJDPWFPDOXMF-SNVBAGLBSA-N 0 0 246.289 2.170 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[C@H]1C ZINC000230170047 134485340 /nfs/dbraw/zinc/48/53/40/134485340.db2.gz UYLNOOVHVODAPO-GMSGAONNSA-N 0 0 221.304 2.401 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)CC1(O)CCCC1 ZINC000230175453 134486533 /nfs/dbraw/zinc/48/65/33/134486533.db2.gz HCLRDAYPSXRWOC-NEPJUHHUSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1CC1 ZINC000190653651 134562933 /nfs/dbraw/zinc/56/29/33/134562933.db2.gz BYDZRFAJMRHVBG-LBPRGKRZSA-N 0 0 231.295 2.345 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191318120 134571626 /nfs/dbraw/zinc/57/16/26/134571626.db2.gz XYXMLGXFROPXMZ-LLVKDONJSA-N 0 0 247.338 2.463 10 0 BEAERN CCCc1nnc(NC[C@]2(C)CCCO2)s1 ZINC000153498710 134638079 /nfs/dbraw/zinc/63/80/79/134638079.db2.gz ARJYJGJQXWJTGO-NSHDSACASA-N 0 0 241.360 2.472 10 0 BEAERN Cc1ccc(CCC(=O)N2CCC(=O)CC2)cc1 ZINC000049933608 134640754 /nfs/dbraw/zinc/64/07/54/134640754.db2.gz GZRPHUXVOMCOCH-UHFFFAOYSA-N 0 0 245.322 2.119 10 0 BEAERN OCCC1(CNc2ncc(Cl)cc2F)CC1 ZINC000133022881 134672807 /nfs/dbraw/zinc/67/28/07/134672807.db2.gz HCPOHCPLIGSSMY-UHFFFAOYSA-N 0 0 244.697 2.449 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)c1ccncc1 ZINC000155350314 134690708 /nfs/dbraw/zinc/69/07/08/134690708.db2.gz UUCOVJSLLBZATC-JQWIXIFHSA-N 0 0 234.299 2.002 10 0 BEAERN CCc1ccccc1CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000156071527 134705838 /nfs/dbraw/zinc/70/58/38/134705838.db2.gz SJTUWOYEZZMJPD-SMDDNHRTSA-N 0 0 247.338 2.433 10 0 BEAERN CSc1ccc(CNC(=O)N(C)C)cc1 ZINC000056517743 134782816 /nfs/dbraw/zinc/78/28/16/134782816.db2.gz MMBZKQGEWVDTRV-UHFFFAOYSA-N 0 0 224.329 2.180 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)Cc2ccncc2)o1 ZINC000194955799 134833728 /nfs/dbraw/zinc/83/37/28/134833728.db2.gz PSAAZYSCIYSJPU-NSHDSACASA-N 0 0 244.294 2.403 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[C@@H](C)C2)O1 ZINC000246016019 134875161 /nfs/dbraw/zinc/87/51/61/134875161.db2.gz LTKBXJVEMGAJMW-NDBYEHHHSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)O1 ZINC000246089646 134876619 /nfs/dbraw/zinc/87/66/19/134876619.db2.gz UZASLPMMZBQGPZ-FHUSYTEZSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H](Sc1ccccn1)C(=O)N[C@H]1C[C@H]1C ZINC000246331757 134885270 /nfs/dbraw/zinc/88/52/70/134885270.db2.gz NTHGGYXNZUEYRW-UTLUCORTSA-N 0 0 236.340 2.087 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000189529673 134944673 /nfs/dbraw/zinc/94/46/73/134944673.db2.gz NZKWVTBDSTUXCF-NXEZZACHSA-N 0 0 249.301 2.304 10 0 BEAERN Cc1oncc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000248504670 135002049 /nfs/dbraw/zinc/00/20/49/135002049.db2.gz VRKGMJSEJAOWKM-CHWSQXEVSA-N 0 0 236.315 2.126 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248397477 135005594 /nfs/dbraw/zinc/00/55/94/135005594.db2.gz RUIHJUYRLXHVTR-SDDRHHMPSA-N 0 0 227.348 2.352 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000248474019 135013308 /nfs/dbraw/zinc/01/33/08/135013308.db2.gz LOQNWQFWXIJHOR-DDHJBXDOSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@@H]1C ZINC000249347206 135037069 /nfs/dbraw/zinc/03/70/69/135037069.db2.gz FHXWWJYQTDPFED-FVCCEPFGSA-N 0 0 239.359 2.449 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000250069017 135048352 /nfs/dbraw/zinc/04/83/52/135048352.db2.gz NUCGGHQSOYINRK-RAIGVLPGSA-N 0 0 249.358 2.344 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccsc1 ZINC000077205668 135059507 /nfs/dbraw/zinc/05/95/07/135059507.db2.gz OSXDMQIJNQPWNN-ONGXEEELSA-N 0 0 239.340 2.029 10 0 BEAERN CCC(=CC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)CC ZINC000251526588 135070823 /nfs/dbraw/zinc/07/08/23/135070823.db2.gz CYXJZKYGPJLZEW-XQQFMLRXSA-N 0 0 237.343 2.417 10 0 BEAERN FC(F)(F)CN[C@H]1CCOC2(CCC2)C1 ZINC000086901684 135101457 /nfs/dbraw/zinc/10/14/57/135101457.db2.gz JSSFEYDJXNUDHI-QMMMGPOBSA-N 0 0 223.238 2.240 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC(C)(C)C2)O1 ZINC000252788124 135109794 /nfs/dbraw/zinc/10/97/94/135109794.db2.gz KMYJSSOJPUWASU-OUAUKWLOSA-N 0 0 225.332 2.249 10 0 BEAERN COc1ccc([C@@H]2C[C@@H](C)N(C(C)=O)C2)cc1 ZINC000078188396 135110192 /nfs/dbraw/zinc/11/01/92/135110192.db2.gz JOCXEWQVQNZDTD-ZWNOBZJWSA-N 0 0 233.311 2.420 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000253350764 135126382 /nfs/dbraw/zinc/12/63/82/135126382.db2.gz BFODGCNTRUCPGB-QJPTWQEYSA-N 0 0 225.332 2.060 10 0 BEAERN CC1(C)CC(=O)CN1C(=O)C1CCCCC1 ZINC000259040055 135136703 /nfs/dbraw/zinc/13/67/03/135136703.db2.gz GAEBEPWGHYSSPJ-UHFFFAOYSA-N 0 0 223.316 2.147 10 0 BEAERN CC(C)(C)CC(=O)N1CC(=O)CC1(C)C ZINC000259171958 135137455 /nfs/dbraw/zinc/13/74/55/135137455.db2.gz YFKPRKTUUFYBJY-UHFFFAOYSA-N 0 0 211.305 2.003 10 0 BEAERN c1ncc(-c2cccc(NC3COC3)c2)o1 ZINC000087597294 135158658 /nfs/dbraw/zinc/15/86/58/135158658.db2.gz HNZDJBCVHSQXQN-UHFFFAOYSA-N 0 0 216.240 2.152 10 0 BEAERN OC1(C2CC2)CN(Cc2cccc(Cl)c2)C1 ZINC000084377056 135214836 /nfs/dbraw/zinc/21/48/36/135214836.db2.gz ZXLIRMISGSJWAP-UHFFFAOYSA-N 0 0 237.730 2.297 10 0 BEAERN CCCCN(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000079487636 135327397 /nfs/dbraw/zinc/32/73/97/135327397.db2.gz NYGKQPOAYHXJQI-NEPJUHHUSA-N 0 0 242.363 2.386 10 0 BEAERN CC(C)CC[N@@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263087298 135331826 /nfs/dbraw/zinc/33/18/26/135331826.db2.gz SWYNRQNXDUVIKQ-QWRGUYRKSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1n[nH]c(C)c1CN1CCO[C@H]2CCCC[C@H]21 ZINC000334277250 135333614 /nfs/dbraw/zinc/33/36/14/135333614.db2.gz SQQBWUDQRDDAMZ-KGLIPLIRSA-N 0 0 249.358 2.170 10 0 BEAERN CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(=O)[O-] ZINC000263415357 135352612 /nfs/dbraw/zinc/35/26/12/135352612.db2.gz MYVDEIAZUUOZLB-MXWKQRLJSA-N 0 0 213.321 2.264 10 0 BEAERN CCC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(=O)[O-] ZINC000263415355 135352763 /nfs/dbraw/zinc/35/27/63/135352763.db2.gz MYVDEIAZUUOZLB-DCAQKATOSA-N 0 0 213.321 2.264 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)cc1 ZINC000268652569 135364095 /nfs/dbraw/zinc/36/40/95/135364095.db2.gz DPYQFSYCWFELQK-GFCCVEGCSA-N 0 0 235.327 2.132 10 0 BEAERN CCc1csc(N[C@H]2CC[C@@H](O)C2)n1 ZINC000306331331 135371739 /nfs/dbraw/zinc/37/17/39/135371739.db2.gz CTOPBVJAFFQYHJ-DTWKUNHWSA-N 0 0 212.318 2.031 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)[C@H]1CCCn2ccnc21 ZINC000081803054 135389486 /nfs/dbraw/zinc/38/94/86/135389486.db2.gz GCJOJEPGQFATGN-RYUDHWBXSA-N 0 0 249.358 2.169 10 0 BEAERN CCc1ccc(C(=O)N2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000335087111 135407855 /nfs/dbraw/zinc/40/78/55/135407855.db2.gz RADAMSJFZGBMMX-FZMZJTMJSA-N 0 0 247.338 2.092 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CC2CCCCC2)C1 ZINC000335088046 135408158 /nfs/dbraw/zinc/40/81/58/135408158.db2.gz XGSKGGOSGTVIAJ-DGCLKSJQSA-N 0 0 239.359 2.186 10 0 BEAERN CCO[C@H]1C[C@@H](Nc2cnn(C)c2)C12CCC2 ZINC000087709402 135511129 /nfs/dbraw/zinc/51/11/29/135511129.db2.gz BWIFZTNMKXKRBP-NEPJUHHUSA-N 0 0 235.331 2.180 10 0 BEAERN CC(C)Cn1ccnc(N[C@@H]2CC=CCC2)c1=O ZINC000088748869 135526101 /nfs/dbraw/zinc/52/61/01/135526101.db2.gz IEOFAFOBHLRBDA-GFCCVEGCSA-N 0 0 247.342 2.420 10 0 BEAERN CN(CC1CC(O)C1)C(=O)CC1CCCCC1 ZINC000091464051 135562809 /nfs/dbraw/zinc/56/28/09/135562809.db2.gz SWXLYAIJGWDWBT-UHFFFAOYSA-N 0 0 239.359 2.186 10 0 BEAERN CCN(C)C(=O)N1CCCCC[C@H]1C[C@@H](C)O ZINC000093514002 135599744 /nfs/dbraw/zinc/59/97/44/135599744.db2.gz QMYQMYNPMDMIJH-NEPJUHHUSA-N 0 0 242.363 2.074 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nnnn1-c1ccccc1 ZINC000231663225 135625842 /nfs/dbraw/zinc/62/58/42/135625842.db2.gz KUKYZQDYBFYBHE-PWSUYJOCSA-N 0 0 243.314 2.263 10 0 BEAERN Cc1cccc(CC[NH2+][C@H](C(=O)[O-])C(C)C)c1 ZINC000232739604 135668254 /nfs/dbraw/zinc/66/82/54/135668254.db2.gz UMXXYVQIZGVMFO-ZDUSSCGKSA-N 0 0 235.327 2.236 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000344854871 135801468 /nfs/dbraw/zinc/80/14/68/135801468.db2.gz RLJXPPZDSMNLME-FVCCEPFGSA-N 0 0 239.359 2.042 10 0 BEAERN O=C([C@H]1CCc2ccccc21)N1CC[C@H](F)C1 ZINC000334842381 135820873 /nfs/dbraw/zinc/82/08/73/135820873.db2.gz SCVBRBOJQZEAGF-AAEUAGOBSA-N 0 0 233.286 2.287 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)C1CC2(CCC2)C1 ZINC000335374648 136085331 /nfs/dbraw/zinc/08/53/31/136085331.db2.gz FZVNWSOAJZCLRQ-QWRGUYRKSA-N 0 0 237.343 2.203 10 0 BEAERN CCc1nc(CN2CCC[C@H](O)[C@H]2C)cs1 ZINC000335597239 136105390 /nfs/dbraw/zinc/10/53/90/136105390.db2.gz QXWNLHMYSKUBCU-KOLCDFICSA-N 0 0 240.372 2.051 10 0 BEAERN c1ccc([C@H]2C[C@@H]2Nc2cccnn2)cc1 ZINC000052831292 322853323 /nfs/dbraw/zinc/85/33/23/322853323.db2.gz XXCNUQLGEKCPAP-NEPJUHHUSA-N 0 0 211.268 2.445 10 0 BEAERN CC(C)CN(C)C(=O)c1cc(N)ccc1F ZINC000035651522 166935713 /nfs/dbraw/zinc/93/57/13/166935713.db2.gz COTYIRIFKOFPAP-UHFFFAOYSA-N 0 0 224.279 2.136 10 0 BEAERN CCOC[C@H](C)NC(=O)c1cccc(F)c1F ZINC000054215240 322856785 /nfs/dbraw/zinc/85/67/85/322856785.db2.gz LMNFUFPPYWLZMZ-QMMMGPOBSA-N 0 0 243.253 2.120 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2ccccn2)C1 ZINC000301777324 397791935 /nfs/dbraw/zinc/79/19/35/397791935.db2.gz LUKYABURMBEMIP-WDEREUQCSA-N 0 0 206.289 2.451 10 0 BEAERN CC(C)(C)CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178300183 397845514 /nfs/dbraw/zinc/84/55/14/397845514.db2.gz KGWSATNJGDPOEY-GXTWGEPZSA-N 0 0 247.338 2.197 10 0 BEAERN CC(C)[C@@H](O)CC(=O)N[C@H](C)c1cccs1 ZINC000178864902 397850261 /nfs/dbraw/zinc/85/02/61/397850261.db2.gz UYJOLJLTBNQUBW-ZJUUUORDSA-N 0 0 241.356 2.332 10 0 BEAERN CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(C)nc1C ZINC000179273952 397852515 /nfs/dbraw/zinc/85/25/15/397852515.db2.gz LJPDAQDTFMAPKT-PELKAZGASA-N 0 0 236.315 2.044 10 0 BEAERN c1nscc1N[C@@H]1CCCSC1 ZINC000575463942 397946482 /nfs/dbraw/zinc/94/64/82/397946482.db2.gz NFFJMCUXUCGIML-SSDOTTSWSA-N 0 0 200.332 2.451 10 0 BEAERN CCOC(=O)c1cc2c(C)cc(C)nc2nc1N ZINC000196142406 397951769 /nfs/dbraw/zinc/95/17/69/397951769.db2.gz OUXJMNCAOLXPKN-UHFFFAOYSA-N 0 0 245.282 2.006 10 0 BEAERN Cc1cnn(CCNc2ccnc(C(C)C)n2)c1 ZINC000110581179 397904525 /nfs/dbraw/zinc/90/45/25/397904525.db2.gz YBIVMAVBPYCZCM-UHFFFAOYSA-N 0 0 245.330 2.217 10 0 BEAERN CN1C[C@H](c2cc[nH]n2)Nc2ccccc21 ZINC000616683972 397925926 /nfs/dbraw/zinc/92/59/26/397925926.db2.gz VNXQSKRRJFHVGA-LLVKDONJSA-N 0 0 214.272 2.013 10 0 BEAERN CC[C@H](O)[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000307154264 397990212 /nfs/dbraw/zinc/99/02/12/397990212.db2.gz KSGNQIUIBVSSFF-GJMOJQLCSA-N 0 0 212.211 2.115 10 0 BEAERN Cc1csc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000293614560 398003081 /nfs/dbraw/zinc/00/30/81/398003081.db2.gz DZTBCZVLIKPARV-VHSXEESVSA-N 0 0 239.340 2.354 10 0 BEAERN CN(Cc1ccccc1)c1cncc(F)n1 ZINC000575597109 398011452 /nfs/dbraw/zinc/01/14/52/398011452.db2.gz OIUCHPKMJKKRJM-UHFFFAOYSA-N 0 0 217.247 2.252 10 0 BEAERN C[C@@H]1CN(c2ccc(Br)nn2)[C@H]1C ZINC000575599444 398019058 /nfs/dbraw/zinc/01/90/58/398019058.db2.gz FZQYXGNCEOIIEH-RQJHMYQMSA-N 0 0 242.120 2.084 10 0 BEAERN CN[C@H](C)c1nc(Cc2ccccc2C)no1 ZINC000054053303 398019841 /nfs/dbraw/zinc/01/98/41/398019841.db2.gz HGPKNEWUHLPDQI-SNVBAGLBSA-N 0 0 231.299 2.249 10 0 BEAERN C[C@H](NC(=O)C(C1CC1)C1CC1)[C@H]1CCCO1 ZINC000122309497 398022226 /nfs/dbraw/zinc/02/22/26/398022226.db2.gz UTPQVMBSCZTVRQ-JOYOIKCWSA-N 0 0 237.343 2.106 10 0 BEAERN CC[C@@H]1CS[C@H](c2nccn2CC)N1 ZINC000307264443 398048096 /nfs/dbraw/zinc/04/80/96/398048096.db2.gz FPXKPLXVBMAGGG-PSASIEDQSA-N 0 0 211.334 2.017 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000307120224 397981765 /nfs/dbraw/zinc/98/17/65/397981765.db2.gz HJVURSYYXKZRRT-VXNVDRBHSA-N 0 0 201.697 2.434 10 0 BEAERN COC(=O)c1cc(O)c(Br)cc1C ZINC000260102570 398043265 /nfs/dbraw/zinc/04/32/65/398043265.db2.gz NFHGIEKRZYKTTC-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN Brc1ccc(-c2cscn2)nn1 ZINC000575467103 397989519 /nfs/dbraw/zinc/98/95/19/397989519.db2.gz WPTCAMZMGRYWEJ-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cn[nH]c2)C1 ZINC000616611690 398068391 /nfs/dbraw/zinc/06/83/91/398068391.db2.gz KOQYYQZCJCEHOX-SECBINFHSA-N 0 0 237.303 2.134 10 0 BEAERN COc1ccc(CC(=O)OC(C)(C)C)c(N)c1 ZINC000584594215 398077180 /nfs/dbraw/zinc/07/71/80/398077180.db2.gz NBVFXPOTSGBGDW-UHFFFAOYSA-N 0 0 237.299 2.162 10 0 BEAERN CC(C)(C)N1OC(CN)=N[C@H]1c1ccccc1 ZINC000584614100 398077915 /nfs/dbraw/zinc/07/79/15/398077915.db2.gz PLSLLLXUZAVUFB-GFCCVEGCSA-N 0 0 233.315 2.088 10 0 BEAERN NC(=O)C=C(Nc1cccnc1)c1ccccc1 ZINC000584627433 398080191 /nfs/dbraw/zinc/08/01/91/398080191.db2.gz SHZZOJYANXCEND-LCYFTJDESA-N 0 0 239.278 2.020 10 0 BEAERN CCCC[C@@H]1CC(=O)[C@H]2OC(C)(C)O[C@H]12 ZINC000584659152 398082721 /nfs/dbraw/zinc/08/27/21/398082721.db2.gz ZCUPYQMYEVHQJS-FBIMIBRVSA-N 0 0 212.289 2.286 10 0 BEAERN COc1ccc(-c2csc3ncnn23)cc1 ZINC000584639575 398084017 /nfs/dbraw/zinc/08/40/17/398084017.db2.gz IIAUZNWWTIMSGT-UHFFFAOYSA-N 0 0 231.280 2.466 10 0 BEAERN F[C@H]1CN[C@H](c2nc(-c3ccsc3)no2)C1 ZINC000409422797 398084624 /nfs/dbraw/zinc/08/46/24/398084624.db2.gz IZYGAZZCKPHXJG-SFYZADRCSA-N 0 0 239.275 2.171 10 0 BEAERN CCCCNC(=O)C(=O)c1ccccc1Cl ZINC000584644904 398085230 /nfs/dbraw/zinc/08/52/30/398085230.db2.gz WZSJQXAYKKYNQF-UHFFFAOYSA-N 0 0 239.702 2.439 10 0 BEAERN CCOC(=O)c1c(OC)ccnc1C(F)(F)F ZINC000260360446 398085272 /nfs/dbraw/zinc/08/52/72/398085272.db2.gz YZEKIWVDEUTYRZ-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CNc1nsnc1-c1cnc(C)s1 ZINC000575490185 398053788 /nfs/dbraw/zinc/05/37/88/398053788.db2.gz ALNJFUIZMMVOCH-UHFFFAOYSA-N 0 0 212.303 2.012 10 0 BEAERN C[C@@H](NC(=O)C1(C)CC1)[C@@H]1COc2ccccc21 ZINC000128905848 398098047 /nfs/dbraw/zinc/09/80/47/398098047.db2.gz UXXXUEIYLMUPOD-PWSUYJOCSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@H](Oc1cccc(F)c1)C(=O)N[C@H]1C[C@H]1C ZINC000246229744 398121156 /nfs/dbraw/zinc/12/11/56/398121156.db2.gz TVNMVFXSTJGKKR-PTRXPTGYSA-N 0 0 237.274 2.118 10 0 BEAERN O[C@@H](c1ccsc1Cl)c1ccncn1 ZINC000306155092 398111620 /nfs/dbraw/zinc/11/16/20/398111620.db2.gz BYQLJMDOFGISGK-QMMMGPOBSA-N 0 0 226.688 2.273 10 0 BEAERN Nc1cc(F)ccc1C(=O)Nc1cccnc1 ZINC000062822296 1172783433 /nfs/dbraw/zinc/78/34/33/1172783433.db2.gz ZTGRIDSZWBIDRV-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CC(C)CNS(=O)(=O)/C=C\c1ccccc1 ZINC000095936601 167009836 /nfs/dbraw/zinc/00/98/36/167009836.db2.gz LVRAPKBLMBXRRY-HJWRWDBZSA-N 0 0 239.340 2.233 10 0 BEAERN C[C@H](NC(=O)C[C@H]1CCC[C@H]1C)[C@H]1CCCO1 ZINC000248914759 322869810 /nfs/dbraw/zinc/86/98/10/322869810.db2.gz CTUDWTKUMDGNLY-YVECIDJPSA-N 0 0 239.359 2.496 10 0 BEAERN CC(C)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117741209 167083173 /nfs/dbraw/zinc/08/31/73/167083173.db2.gz RTBROVSCUOZQQV-CABZTGNLSA-N 0 0 219.284 2.076 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1ccccc1F ZINC000038115619 167136554 /nfs/dbraw/zinc/13/65/54/167136554.db2.gz GVDMZXNUUPLKIZ-LBPRGKRZSA-N 0 0 211.280 2.031 10 0 BEAERN CC[C@@H]([NH2+]Cc1cncs1)[C@H]1CCCO1 ZINC000119665443 487559805 /nfs/dbraw/zinc/55/98/05/487559805.db2.gz REQYKAASJGJMEG-GHMZBOCLSA-N 0 0 226.345 2.190 10 0 BEAERN CC(C)OC(=O)C1[C@@H](C)CC(=O)C[C@@H]1C ZINC000117778326 167154938 /nfs/dbraw/zinc/15/49/38/167154938.db2.gz SSEKMTKXNSYLLL-IUCAKERBSA-N 0 0 212.289 2.189 10 0 BEAERN CC(C)OC(=O)Nc1ccc(C=O)cc1 ZINC000075614054 167166404 /nfs/dbraw/zinc/16/64/04/167166404.db2.gz VINSZPYDAITOBY-UHFFFAOYSA-N 0 0 207.229 2.456 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)c1cccs1 ZINC000058667267 487565508 /nfs/dbraw/zinc/56/55/08/487565508.db2.gz AUWOKYHIDJZADE-VIFPVBQESA-N 0 0 225.313 2.047 10 0 BEAERN Cc1cc(Br)cc(NC(N)=O)c1F ZINC000075903289 177723270 /nfs/dbraw/zinc/72/32/70/177723270.db2.gz HGCCRFBOHKAYPU-UHFFFAOYSA-N 0 0 247.067 2.387 10 0 BEAERN Clc1snnc1CN1C[C@H]2CCC[C@H]21 ZINC000674389384 487570055 /nfs/dbraw/zinc/57/00/55/487570055.db2.gz QPCXBEITEKYFTA-HTRCEHHLSA-N 0 0 229.736 2.176 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC[C@H]2Cc3ccccc32)O1 ZINC000246032547 487570668 /nfs/dbraw/zinc/57/06/68/487570668.db2.gz NUGRTCUVJLHLAE-MPKXVKKWSA-N 0 0 245.322 2.010 10 0 BEAERN COC(=O)c1sc(Br)cc1F ZINC000098179828 487571738 /nfs/dbraw/zinc/57/17/38/487571738.db2.gz POFCRCFNPJCOES-UHFFFAOYSA-N 0 0 239.065 2.436 10 0 BEAERN CC(C)CN(Cc1cncnc1)CC(F)(F)F ZINC000120747975 490068596 /nfs/dbraw/zinc/06/85/96/490068596.db2.gz BZMFKZATUQYVOZ-UHFFFAOYSA-N 0 0 247.264 2.497 10 0 BEAERN CCc1cnc(CN[C@@H](C)c2ncc(C)o2)o1 ZINC000680424042 487591634 /nfs/dbraw/zinc/59/16/34/487591634.db2.gz UGBJMEYINMLRIY-VIFPVBQESA-N 0 0 235.287 2.384 10 0 BEAERN CC(C)S(=O)(=O)Cc1ccc(N)cc1Cl ZINC000049964406 167317541 /nfs/dbraw/zinc/31/75/41/167317541.db2.gz RTEKZWPTBYGQFK-UHFFFAOYSA-N 0 0 247.747 2.245 10 0 BEAERN COC(=O)C1(c2ccc3ocnc3c2)CC1 ZINC000116249116 409664613 /nfs/dbraw/zinc/66/46/13/409664613.db2.gz JYYOXXPHMZDANL-UHFFFAOYSA-N 0 0 217.224 2.032 10 0 BEAERN COc1ccccc1[C@H](O)c1ccncc1 ZINC000037464868 409738971 /nfs/dbraw/zinc/73/89/71/409738971.db2.gz XYPCEJQEJKZAIM-CYBMUJFWSA-N 0 0 215.252 2.172 10 0 BEAERN CCc1cc(NC(=O)Cc2ccccc2C)n[nH]1 ZINC000049139046 409923267 /nfs/dbraw/zinc/92/32/67/409923267.db2.gz TYPTUIBKBYAJHF-UHFFFAOYSA-N 0 0 243.310 2.462 10 0 BEAERN Brc1cc(-c2ccco2)ncn1 ZINC000044119044 166095433 /nfs/dbraw/zinc/09/54/33/166095433.db2.gz MNEJPERHUKYWDU-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cc(Cn2ccnn2)cs1 ZINC000128079845 166095943 /nfs/dbraw/zinc/09/59/43/166095943.db2.gz CPFUJBBXHRPECN-UHFFFAOYSA-N 0 0 244.117 2.150 10 0 BEAERN Brc1cc(-c2cccnc2)ncn1 ZINC000044119131 166096582 /nfs/dbraw/zinc/09/65/82/166096582.db2.gz CGGUGUFOOIFUAR-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccc(-c2ccccn2)nn1 ZINC000044118186 166096624 /nfs/dbraw/zinc/09/66/24/166096624.db2.gz QUJNQFBBRLQCAX-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccc(CNc2cn[nH]c2)o1 ZINC000035764006 166097403 /nfs/dbraw/zinc/09/74/03/166097403.db2.gz JTOGCILEDZEUBL-UHFFFAOYSA-N 0 0 242.076 2.377 10 0 BEAERN Brc1ccc(-n2ccnc2)cn1 ZINC000072192999 166097508 /nfs/dbraw/zinc/09/75/08/166097508.db2.gz GAPFSTUPCXMZFA-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1ccc([C@H]2C[NH2+]CO2)cc1 ZINC000071533577 166100278 /nfs/dbraw/zinc/10/02/78/166100278.db2.gz AFQOOQJEIISINR-SECBINFHSA-N 0 0 228.089 2.068 10 0 BEAERN Brc1cncc(-c2cccnc2)n1 ZINC000044121642 166104851 /nfs/dbraw/zinc/10/48/51/166104851.db2.gz RNSSAPYIICBPOH-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cnc(-c2ccccn2)cn1 ZINC000044117560 166104340 /nfs/dbraw/zinc/10/43/40/166104340.db2.gz AIHUAJIKPHGHNZ-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccnc(-c2ccco2)n1 ZINC000044117072 166103102 /nfs/dbraw/zinc/10/31/02/166103102.db2.gz LVLZUYYOJWFPAW-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccnc2ccncc12 ZINC000039241186 166103224 /nfs/dbraw/zinc/10/32/24/166103224.db2.gz IQPRTBZXSSEENH-UHFFFAOYSA-N 0 0 209.046 2.392 10 0 BEAERN Brc1cn(-c2ccoc2)cn1 ZINC000072193500 166105083 /nfs/dbraw/zinc/10/50/83/166105083.db2.gz HQAGGTYAFVKTMZ-UHFFFAOYSA-N 0 0 213.034 2.228 10 0 BEAERN Brc1cncnc1CC1CC1 ZINC000091366382 166105573 /nfs/dbraw/zinc/10/55/73/166105573.db2.gz RIRVCSZQSBRWAT-UHFFFAOYSA-N 0 0 213.078 2.192 10 0 BEAERN CCN(CC)C(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117562190 169758894 /nfs/dbraw/zinc/75/88/94/169758894.db2.gz QSXWAJLNKMRCQY-MFKMUULPSA-N 0 0 233.311 2.420 10 0 BEAERN CC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000002536694 166434825 /nfs/dbraw/zinc/43/48/25/166434825.db2.gz UNEUMHISMORSMX-UHFFFAOYSA-N 0 0 226.585 2.295 10 0 BEAERN CC(=O)c1cc(C)ccc1OCc1ncon1 ZINC000035118510 166443836 /nfs/dbraw/zinc/44/38/36/166443836.db2.gz ACEHQVPFDAAEOZ-UHFFFAOYSA-N 0 0 232.239 2.160 10 0 BEAERN CC(=O)c1cc(C)cnc1Br ZINC000084229516 166444051 /nfs/dbraw/zinc/44/40/51/166444051.db2.gz BUFDZLZLLRYKQS-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN CC(=O)c1cc2[nH]c(=S)[nH]c2cc1C ZINC000143415052 166450179 /nfs/dbraw/zinc/45/01/79/166450179.db2.gz KQLAYLRTDPEJBE-UHFFFAOYSA-N 0 0 206.270 2.363 10 0 BEAERN CC(=O)c1ccc2ccccc2c1OCCO ZINC000035186761 166470475 /nfs/dbraw/zinc/47/04/75/166470475.db2.gz QPEGMGLHMVEPSY-UHFFFAOYSA-N 0 0 230.263 2.414 10 0 BEAERN CC(=O)c1sc2nccc(C)c2c1N ZINC000082378619 166492783 /nfs/dbraw/zinc/49/27/83/166492783.db2.gz BFMMSPGDQWXCHL-UHFFFAOYSA-N 0 0 206.270 2.390 10 0 BEAERN CC[NH+](CC)C1(C(=O)[O-])CCC(C)CC1 ZINC000037360765 169762643 /nfs/dbraw/zinc/76/26/43/169762643.db2.gz WKQVHPIBYKYGJP-UHFFFAOYSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)(C)NC(=O)CNc1ccc(F)cc1F ZINC000020053264 166615102 /nfs/dbraw/zinc/61/51/02/166615102.db2.gz LKXNIXBOVPOVSO-UHFFFAOYSA-N 0 0 242.269 2.291 10 0 BEAERN CC(C)(C)NC(=O)Cn1ccc2ccc(N)cc21 ZINC000037222409 166618166 /nfs/dbraw/zinc/61/81/66/166618166.db2.gz UUTQBCAHAYTZDG-UHFFFAOYSA-N 0 0 245.326 2.138 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1O[C@@H]1c1ccccc1 ZINC000039278674 166673855 /nfs/dbraw/zinc/67/38/55/166673855.db2.gz LKKOTPSFKLPCQF-MNOVXSKESA-N 0 0 220.268 2.468 10 0 BEAERN CC(C)(C)OC[C@H]1CCC[C@@H](NC(N)=O)C1 ZINC000095829890 166684651 /nfs/dbraw/zinc/68/46/51/166684651.db2.gz OZHJLDAAMKVCCJ-VHSXEESVSA-N 0 0 228.336 2.029 10 0 BEAERN CC(C)C(=O)Nc1nnc(-c2ccccc2)o1 ZINC000004276191 166732298 /nfs/dbraw/zinc/73/22/98/166732298.db2.gz GDVOYKWIOAQFKF-UHFFFAOYSA-N 0 0 231.255 2.331 10 0 BEAERN CC(C)CC(=O)N[C@H]1COc2ccccc21 ZINC000058725955 166772114 /nfs/dbraw/zinc/77/21/14/166772114.db2.gz NFLGBQWCUPQDPR-NSHDSACASA-N 0 0 219.284 2.282 10 0 BEAERN CC(C)C[NH2+][C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000037965467 167012963 /nfs/dbraw/zinc/01/29/63/167012963.db2.gz PLCORHKZQUXSSO-NSHDSACASA-N 0 0 243.253 2.336 10 0 BEAERN CC(C)CNc1ccc(-n2cccn2)nc1 ZINC000037019662 167017672 /nfs/dbraw/zinc/01/76/72/167017672.db2.gz DGXDKIWFJHPRER-UHFFFAOYSA-N 0 0 216.288 2.335 10 0 BEAERN CC(C)CNc1nc(-c2ccco2)no1 ZINC000054456667 167018214 /nfs/dbraw/zinc/01/82/14/167018214.db2.gz RTZWVNMDDSEOIP-UHFFFAOYSA-N 0 0 207.233 2.398 10 0 BEAERN CC(C)[N@@H+]1Cc2cc(F)ccc2C[C@@H]1C(=O)[O-] ZINC000016082861 167034848 /nfs/dbraw/zinc/03/48/48/167034848.db2.gz HUPVFYQYSOOCLF-GFCCVEGCSA-N 0 0 237.274 2.045 10 0 BEAERN CC(C)NC(=O)CNc1nccc2sccc21 ZINC000036781897 167061803 /nfs/dbraw/zinc/06/18/03/167061803.db2.gz YZPUKAHQGNPHCU-UHFFFAOYSA-N 0 0 249.339 2.233 10 0 BEAERN CC(C)NC(=O)N(Cc1cccc(N)c1)C1CC1 ZINC000035081147 167067700 /nfs/dbraw/zinc/06/77/00/167067700.db2.gz FKYAWNQEWJPLNW-UHFFFAOYSA-N 0 0 247.342 2.351 10 0 BEAERN CC(C)NC(=O)N(C)[C@H](C)c1cccc(N)c1 ZINC000036743766 167068120 /nfs/dbraw/zinc/06/81/20/167068120.db2.gz FKOGRWZQGQBJCD-SNVBAGLBSA-N 0 0 235.331 2.380 10 0 BEAERN CC(C)NC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000019428520 167082586 /nfs/dbraw/zinc/08/25/86/167082586.db2.gz BGUPNJLVSQRCQK-CMPLNLGQSA-N 0 0 232.327 2.499 10 0 BEAERN CC(C)[NH2+]Cc1cnc(Cc2ccccc2)[nH]1 ZINC000062821262 167116109 /nfs/dbraw/zinc/11/61/09/167116109.db2.gz GSJGOQRMKHUQNR-UHFFFAOYSA-N 0 0 229.327 2.499 10 0 BEAERN CC(C)NCc1noc(Cc2ccc(F)cc2)n1 ZINC000051861213 167123338 /nfs/dbraw/zinc/12/33/38/167123338.db2.gz YTVAGFLUZCSTDW-UHFFFAOYSA-N 0 0 249.289 2.298 10 0 BEAERN CC(C)OC(=O)c1cc(N)c(F)cc1F ZINC000037409248 167171825 /nfs/dbraw/zinc/17/18/25/167171825.db2.gz RUSKVPDYYKTEMU-UHFFFAOYSA-N 0 0 215.199 2.112 10 0 BEAERN CC(C)OCCn1nc(N)c2ccccc21 ZINC000054433429 167253504 /nfs/dbraw/zinc/25/35/04/167253504.db2.gz NLXXVBJSGHQGRC-UHFFFAOYSA-N 0 0 219.288 2.044 10 0 BEAERN CC(C)O[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000054036080 167280979 /nfs/dbraw/zinc/28/09/79/167280979.db2.gz IMVMVRCJAKQVIZ-VIFPVBQESA-N 0 0 222.288 2.021 10 0 BEAERN CC(C)O[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000054036106 167281644 /nfs/dbraw/zinc/28/16/44/167281644.db2.gz KBDVQJPXJNWDGI-QMMMGPOBSA-N 0 0 240.278 2.160 10 0 BEAERN CC(C)O[C@H](C)C(=O)Nc1ccccc1N ZINC000054036091 167283061 /nfs/dbraw/zinc/28/30/61/167283061.db2.gz CWZYDTXLMKVZLK-SECBINFHSA-N 0 0 222.288 2.021 10 0 BEAERN CC(C)Oc1cc(N[C@@H]2C[C@H]2C)ncn1 ZINC000085485768 167287138 /nfs/dbraw/zinc/28/71/38/167287138.db2.gz DXZQWDZVIGGYLJ-RKDXNWHRSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1ccc(-c2cc(CO)[nH]n2)cc1 ZINC000066111409 167289078 /nfs/dbraw/zinc/28/90/78/167289078.db2.gz UCTBIQAQKVHSMC-UHFFFAOYSA-N 0 0 232.283 2.356 10 0 BEAERN CC(C)Oc1ccc([C@@](C)([NH3+])CC(=O)[O-])cc1 ZINC000003115876 167301216 /nfs/dbraw/zinc/30/12/16/167301216.db2.gz FQXNYXYAELNZMB-ZDUSSCGKSA-N 0 0 237.299 2.122 10 0 BEAERN CC(C)Oc1nc(N(C)C2CC2)ccc1N ZINC000037080581 167313008 /nfs/dbraw/zinc/31/30/08/167313008.db2.gz BXCJDLAWHKBTTE-UHFFFAOYSA-N 0 0 221.304 2.050 10 0 BEAERN CC(C)Oc1ncc(C=O)cc1OC1CC1 ZINC000095721136 167314968 /nfs/dbraw/zinc/31/49/68/167314968.db2.gz SRQBKFJOTRBDSZ-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1ncnc(NCc2ccco2)c1N ZINC000040761373 167315198 /nfs/dbraw/zinc/31/51/98/167315198.db2.gz NBIIMKMVGPWPFI-UHFFFAOYSA-N 0 0 248.286 2.051 10 0 BEAERN CC(C)Oc1nccnc1N[C@H]1C[C@@H]1C ZINC000302228755 167315965 /nfs/dbraw/zinc/31/59/65/167315965.db2.gz QZCQBFHOKCMCOK-IUCAKERBSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Sc1ccc(COC(=O)CN)cc1 ZINC000077384910 167336608 /nfs/dbraw/zinc/33/66/08/167336608.db2.gz NFQQFIRRBMANPC-UHFFFAOYSA-N 0 0 239.340 2.189 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@H+](C)C1CCCCC1 ZINC000011799113 167345790 /nfs/dbraw/zinc/34/57/90/167345790.db2.gz YCHPYGDHSBEPPI-NSHDSACASA-N 0 0 213.321 2.360 10 0 BEAERN CC(C)[C@@H](C)N(C)C(=O)Cc1cccc(N)c1 ZINC000052922550 167363883 /nfs/dbraw/zinc/36/38/83/167363883.db2.gz SIJLKRYSGNEEPR-LLVKDONJSA-N 0 0 234.343 2.314 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC000336464205 167374543 /nfs/dbraw/zinc/37/45/43/167374543.db2.gz ZSKJUESNUFABDF-GHMZBOCLSA-N 0 0 242.363 2.240 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000107727264 167375571 /nfs/dbraw/zinc/37/55/71/167375571.db2.gz JGMUEEPNFFRIKY-NEPJUHHUSA-N 0 0 242.363 2.099 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@H]1CC=CCC1 ZINC000077541383 167376101 /nfs/dbraw/zinc/37/61/01/167376101.db2.gz JGFLAFPQASSILM-MNOVXSKESA-N 0 0 210.321 2.439 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000019906281 167385030 /nfs/dbraw/zinc/38/50/30/167385030.db2.gz OFHIFRTVXWAREW-SECBINFHSA-N 0 0 246.310 2.369 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc2c(c1)C(=O)NC2=O ZINC000019966488 167385113 /nfs/dbraw/zinc/38/51/13/167385113.db2.gz DEXNREWFPZXPII-MRVPVSSYSA-N 0 0 232.283 2.027 10 0 BEAERN CC(C)[C@@H](C)Nc1cc(-n2cnnn2)ccc1F ZINC000037773515 167385227 /nfs/dbraw/zinc/38/52/27/167385227.db2.gz NISOEMVSSUXAEA-SECBINFHSA-N 0 0 249.293 2.258 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(C(N)=O)cc1 ZINC000019911487 167385271 /nfs/dbraw/zinc/38/52/71/167385271.db2.gz ORIRXJNFYLJLHS-SECBINFHSA-N 0 0 206.289 2.242 10 0 BEAERN O=C([O-])C[N@H+](C/C=C\c1ccccc1)CC1CC1 ZINC000209622068 411000296 /nfs/dbraw/zinc/00/02/96/411000296.db2.gz JBOUDFHEHQTFRM-DAXSKMNVSA-N 0 0 245.322 2.496 10 0 BEAERN CC(C)[S@@](=O)Cc1cc(F)ccc1N ZINC000040971686 167546842 /nfs/dbraw/zinc/54/68/42/167546842.db2.gz PVIDZFUQJKFZTN-CQSZACIVSA-N 0 0 215.293 2.065 10 0 BEAERN CC(C)c1c(CO)nnn1-c1cccc(F)c1 ZINC000045892601 167554580 /nfs/dbraw/zinc/55/45/80/167554580.db2.gz JRNZSRSLFOLZIG-UHFFFAOYSA-N 0 0 235.262 2.022 10 0 BEAERN CC[NH+](CC)[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062750088 169797281 /nfs/dbraw/zinc/79/72/81/169797281.db2.gz BIEIQYHHIFMXIK-GHMZBOCLSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)c1ccc(C[C@@H](C[NH3+])C(=O)[O-])cc1 ZINC000011979195 167599510 /nfs/dbraw/zinc/59/95/10/167599510.db2.gz HNKBZBRLVYQWKW-LBPRGKRZSA-N 0 0 221.300 2.012 10 0 BEAERN CC(C)c1ccc(N2CC[C@@H](O)C2)cc1 ZINC000077298944 167602389 /nfs/dbraw/zinc/60/23/89/167602389.db2.gz HCYUZSSHRXZFJM-CYBMUJFWSA-N 0 0 205.301 2.381 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000408146329 411130924 /nfs/dbraw/zinc/13/09/24/411130924.db2.gz YUQRVYUMYTWRKZ-UKKRHICBSA-N 0 0 234.299 2.206 10 0 BEAERN C[C@@H](N[C@@H]1C[C@@H](C)OC1=O)c1cccc(F)c1 ZINC000107571162 411137074 /nfs/dbraw/zinc/13/70/74/411137074.db2.gz FTDUALZIQLEKSG-KBVBSXBZSA-N 0 0 237.274 2.180 10 0 BEAERN CC(C)c1oc(=O)c(Cl)nc1Cl ZINC000039124095 167731766 /nfs/dbraw/zinc/73/17/66/167731766.db2.gz HKEFATMJLYCDFL-UHFFFAOYSA-N 0 0 208.044 2.465 10 0 BEAERN CC(C)CCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116115947 411181813 /nfs/dbraw/zinc/18/18/13/411181813.db2.gz KJQXPDFKBAHRHQ-LBPRGKRZSA-N 0 0 249.358 2.172 10 0 BEAERN CCN(CC)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117562198 411184705 /nfs/dbraw/zinc/18/47/05/411184705.db2.gz QSXWAJLNKMRCQY-GXFFZTMASA-N 0 0 233.311 2.420 10 0 BEAERN CSC(C)(C)CNc1cccnc1N ZINC000229076060 411187782 /nfs/dbraw/zinc/18/77/82/411187782.db2.gz KYTQYPBVGKWKEI-UHFFFAOYSA-N 0 0 211.334 2.217 10 0 BEAERN COc1cccnc1NC(=O)Cc1ccccc1 ZINC000031829054 411187839 /nfs/dbraw/zinc/18/78/39/411187839.db2.gz BKPKWPJGDGJBRQ-UHFFFAOYSA-N 0 0 242.278 2.271 10 0 BEAERN CC(C)n1ccnc(N[C@H](C)C2CC2)c1=O ZINC000061763005 167769988 /nfs/dbraw/zinc/76/99/88/167769988.db2.gz QCQNRSWOEXELJV-SECBINFHSA-N 0 0 221.304 2.035 10 0 BEAERN CC(C)n1ccnc(N[C@@H]2CC2(C)C)c1=O ZINC000061766042 167770336 /nfs/dbraw/zinc/77/03/36/167770336.db2.gz LYDGROWLZKBMTG-SECBINFHSA-N 0 0 221.304 2.035 10 0 BEAERN C[C@@H](NC(=O)N[C@H]1C[C@H]1C)C1CCCC1 ZINC000246275857 411204394 /nfs/dbraw/zinc/20/43/94/411204394.db2.gz BNDFYBQBRVDUPI-KKZNHRDASA-N 0 0 210.321 2.273 10 0 BEAERN CC(C)c1cccc([C@H]2COCC2=O)c1 ZINC000521400701 411211308 /nfs/dbraw/zinc/21/13/08/411211308.db2.gz OGVKKSQMOZJOIK-GFCCVEGCSA-N 0 0 204.269 2.493 10 0 BEAERN CCc1cc(NC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000049138779 411226359 /nfs/dbraw/zinc/22/63/59/411226359.db2.gz FJJMWXOOXOGROB-VIFPVBQESA-N 0 0 219.288 2.267 10 0 BEAERN CCc1cc(NC(=O)Cc2ccc(C)cc2)n[nH]1 ZINC000049139106 411226373 /nfs/dbraw/zinc/22/63/73/411226373.db2.gz JQTLMANSSFKZHV-UHFFFAOYSA-N 0 0 243.310 2.462 10 0 BEAERN Cc1cnc([C@@H](C)NCCO[C@H]2CC2(F)F)o1 ZINC000656684007 411327264 /nfs/dbraw/zinc/32/72/64/411327264.db2.gz RRXDMMDQBHNDRO-BDAKNGLRSA-N 0 0 246.257 2.058 10 0 BEAERN CCC[C@H](C)C[N@H+](C)[C@@H](CC)C(=O)[O-] ZINC000051322679 411271557 /nfs/dbraw/zinc/27/15/57/411271557.db2.gz YEEBPMRNHBQXPO-UWVGGRQHSA-N 0 0 201.310 2.218 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1c1ccno1 ZINC000616584178 411290835 /nfs/dbraw/zinc/29/08/35/411290835.db2.gz IATOJQMUZOJGMO-AWEZNQCLSA-N 0 0 242.278 2.169 10 0 BEAERN CC1(C)CC(=O)Nc2nc(Cl)ccc21 ZINC000098179079 167883566 /nfs/dbraw/zinc/88/35/66/167883566.db2.gz ZWMNQFUHFVYYJJ-UHFFFAOYSA-N 0 0 210.664 2.355 10 0 BEAERN COC(=O)C1CCC2(CCC(O)CC2)CC1 ZINC000575441379 411297820 /nfs/dbraw/zinc/29/78/20/411297820.db2.gz JVEUERSWIGNZOF-UHFFFAOYSA-N 0 0 226.316 2.271 10 0 BEAERN CCOC(=O)C(F)(F)c1cnn(C(C)C)c1 ZINC000260391320 411300918 /nfs/dbraw/zinc/30/09/18/411300918.db2.gz YZUZJMBOOUMKDT-UHFFFAOYSA-N 0 0 232.230 2.119 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Cc1cn2ccccc2n1 ZINC000068376553 411305850 /nfs/dbraw/zinc/30/58/50/411305850.db2.gz YKKXHHKVZRGUSK-LLVKDONJSA-N 0 0 245.326 2.038 10 0 BEAERN OCc1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238720555 411318769 /nfs/dbraw/zinc/31/87/69/411318769.db2.gz MBFVMFUYHRWKTO-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN CC1(C(=O)[O-])CC[NH+](CC2CCCC2)CC1 ZINC000062844038 411325571 /nfs/dbraw/zinc/32/55/71/411325571.db2.gz ZFSXAVWQMLVQEX-UHFFFAOYSA-N 0 0 225.332 2.363 10 0 BEAERN CC1(CNc2ccnc(Cl)c2)COC1 ZINC000126424450 168048354 /nfs/dbraw/zinc/04/83/54/168048354.db2.gz DKCJMDWEGIUUOA-UHFFFAOYSA-N 0 0 212.680 2.183 10 0 BEAERN CC1=C(NC(=O)OC(C)C)SCCO1 ZINC000238175350 168088298 /nfs/dbraw/zinc/08/82/98/168088298.db2.gz NRIUHISISKMGAZ-UHFFFAOYSA-N 0 0 217.290 2.073 10 0 BEAERN CC1CCC(CO)(Nc2ncccc2N)CC1 ZINC000053114184 168157097 /nfs/dbraw/zinc/15/70/97/168157097.db2.gz KERMLOAMWVOEER-UHFFFAOYSA-N 0 0 235.331 2.017 10 0 BEAERN CC1CCC([N@H+](C)C/C=C/C(=O)[O-])CC1 ZINC000051859707 168158669 /nfs/dbraw/zinc/15/86/69/168158669.db2.gz UNCVRPWPHHWSET-ONEGZZNKSA-N 0 0 211.305 2.138 10 0 BEAERN CC1CCC(OC(=O)[C@@H]2CCCCN2)CC1 ZINC000048633046 168167302 /nfs/dbraw/zinc/16/73/02/168167302.db2.gz OXSBVLDFGQFMBS-MCIGGMRASA-N 0 0 225.332 2.250 10 0 BEAERN CC1CCC(OCCn2cc(N)cn2)CC1 ZINC000050615100 168168112 /nfs/dbraw/zinc/16/81/12/168168112.db2.gz QGNOXUQBWKFGRX-UHFFFAOYSA-N 0 0 223.320 2.061 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCC(C)CC1 ZINC000073384987 168173472 /nfs/dbraw/zinc/17/34/72/168173472.db2.gz FCFLIPPWCYHAHS-NSHDSACASA-N 0 0 212.337 2.472 10 0 BEAERN CC1CC[NH+](Cc2ncccc2C(=O)[O-])CC1 ZINC000062182937 168184525 /nfs/dbraw/zinc/18/45/25/168184525.db2.gz WRYLWTZLIKNEJF-UHFFFAOYSA-N 0 0 234.299 2.012 10 0 BEAERN CCC(=O)N(C)Cc1cccc(OC)c1OC ZINC000049939703 168211493 /nfs/dbraw/zinc/21/14/93/168211493.db2.gz PQUUQWNMWFRFCM-UHFFFAOYSA-N 0 0 237.299 2.072 10 0 BEAERN CCC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000124021024 168215134 /nfs/dbraw/zinc/21/51/34/168215134.db2.gz RKLVPUWLDXZRLP-UHFFFAOYSA-N 0 0 235.331 2.019 10 0 BEAERN CCC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000128827174 168239565 /nfs/dbraw/zinc/23/95/65/168239565.db2.gz HJBTURRSNCZYLY-MWLCHTKSSA-N 0 0 219.284 2.077 10 0 BEAERN CCC(=O)c1ccc(C2OCCO2)cc1 ZINC000049813357 168255585 /nfs/dbraw/zinc/25/55/85/168255585.db2.gz SUSZYFOVEMQOLK-UHFFFAOYSA-N 0 0 206.241 2.325 10 0 BEAERN CCC(=O)c1cccc(C2OCCO2)c1 ZINC000049813358 168257703 /nfs/dbraw/zinc/25/77/03/168257703.db2.gz RVLRMVNHVPWUNE-UHFFFAOYSA-N 0 0 206.241 2.325 10 0 BEAERN CCC(=O)c1ccccc1O[C@H](C)C(=O)N(C)C ZINC000020306952 168258645 /nfs/dbraw/zinc/25/86/45/168258645.db2.gz DKTCAFGZJIRZND-SNVBAGLBSA-N 0 0 249.310 2.135 10 0 BEAERN CCC(C)(C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000378204764 168261291 /nfs/dbraw/zinc/26/12/91/168261291.db2.gz MCBVHLQEYAHVLY-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN CCC(C)(C)CC(=O)N1CC[C@@H](CCO)C1 ZINC000340267563 168271462 /nfs/dbraw/zinc/27/14/62/168271462.db2.gz MWKUBJHNQNRLFV-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN CCC(C)(C)NC(=O)CSCC1CC1 ZINC000126199067 168291134 /nfs/dbraw/zinc/29/11/34/168291134.db2.gz SAKNOPOAKVMOLF-UHFFFAOYSA-N 0 0 215.362 2.434 10 0 BEAERN CCC(C)(C)Nc1ccc(N)c(OC)n1 ZINC000037067195 168302833 /nfs/dbraw/zinc/30/28/33/168302833.db2.gz LGKQVFHEZDMIKI-UHFFFAOYSA-N 0 0 209.293 2.273 10 0 BEAERN CCC(C)(C)Nc1nc(Cl)nc(N(C)C)n1 ZINC000061534313 168302880 /nfs/dbraw/zinc/30/28/80/168302880.db2.gz ZVDKRMGBPZOIEA-UHFFFAOYSA-N 0 0 243.742 2.192 10 0 BEAERN CCN(CCOC)c1c(F)cc(C=O)cc1F ZINC000062707709 169867283 /nfs/dbraw/zinc/86/72/83/169867283.db2.gz ZVQUKMXSLGBTJK-UHFFFAOYSA-N 0 0 243.253 2.250 10 0 BEAERN CC1(C)CCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000305900422 411427496 /nfs/dbraw/zinc/42/74/96/411427496.db2.gz ALLBVEAUQNWAOD-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN C[C@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])[C@H]1C ZINC000305993303 411430162 /nfs/dbraw/zinc/43/01/62/411430162.db2.gz TZVCCMCPPFOTGN-QWRGUYRKSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])[C@@H]1C ZINC000305993299 411430298 /nfs/dbraw/zinc/43/02/98/411430298.db2.gz TZVCCMCPPFOTGN-GHMZBOCLSA-N 0 0 248.326 2.400 10 0 BEAERN Cc1cc(C(C)C)nc(NCc2cc[nH]n2)n1 ZINC000122395624 411431542 /nfs/dbraw/zinc/43/15/42/411431542.db2.gz AQIICUFFEKBEHU-UHFFFAOYSA-N 0 0 231.303 2.244 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H]2CCCOC2)n1 ZINC000122450895 411432737 /nfs/dbraw/zinc/43/27/37/411432737.db2.gz UXMPAOPPORABBQ-LLVKDONJSA-N 0 0 235.331 2.499 10 0 BEAERN C/C=C/C=C/CC1=C(C[C@@H](C)O)C(=O)OC1 ZINC000015267653 411434116 /nfs/dbraw/zinc/43/41/16/411434116.db2.gz KELRJXQJITUJOU-MGCXLJFFSA-N 0 0 222.284 2.133 10 0 BEAERN Cc1cc(C(C)C)nc(N(C)CC(C)(C)O)n1 ZINC000122633234 411434973 /nfs/dbraw/zinc/43/49/73/411434973.db2.gz WVDQNJUOLSXMQN-UHFFFAOYSA-N 0 0 237.347 2.116 10 0 BEAERN Cc1cc(C(C)C)nc(N2CCC[C@H](CO)C2)n1 ZINC000122624168 411435144 /nfs/dbraw/zinc/43/51/44/411435144.db2.gz OOKPAEFQWKTWTH-LBPRGKRZSA-N 0 0 249.358 2.117 10 0 BEAERN COC(=O)CCCc1ncc(C(C)(C)C)o1 ZINC000205214956 411444923 /nfs/dbraw/zinc/44/49/23/411444923.db2.gz SCMVGBCEFVMXAK-UHFFFAOYSA-N 0 0 225.288 2.468 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1CC1=CCCC1 ZINC000306989147 411464244 /nfs/dbraw/zinc/46/42/44/411464244.db2.gz RRTFCIGWHUQIGI-GFCCVEGCSA-N 0 0 209.289 2.036 10 0 BEAERN Cc1cnc([C@H](C)NCc2nc(C)c(C)[nH]2)o1 ZINC000657458918 411517846 /nfs/dbraw/zinc/51/78/46/411517846.db2.gz RBDWDBKMAOPHDG-JTQLQIEISA-N 0 0 234.303 2.174 10 0 BEAERN CCN1C[C@@H](c2ccc(Cl)cc2)OCC1=O ZINC000090459217 170032222 /nfs/dbraw/zinc/03/22/22/170032222.db2.gz TWBPDXSEOFECPP-NSHDSACASA-N 0 0 239.702 2.260 10 0 BEAERN CCNC(=O)N(Cc1ccccc1N)C(C)C ZINC000035365739 170072425 /nfs/dbraw/zinc/07/24/25/170072425.db2.gz QVWBFHSSGQGNGK-UHFFFAOYSA-N 0 0 235.331 2.209 10 0 BEAERN CCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186077551 170073679 /nfs/dbraw/zinc/07/36/79/170073679.db2.gz PEVQQOFUIUPSBW-JTQLQIEISA-N 0 0 239.344 2.318 10 0 BEAERN CCNC(=O)Nc1cc(Cl)ccc1N ZINC000036949185 170084274 /nfs/dbraw/zinc/08/42/74/170084274.db2.gz AFEDVNSTXOPLBQ-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(C)cc1F ZINC000020359970 170089141 /nfs/dbraw/zinc/08/91/41/170089141.db2.gz UFAYYQDUNFPGJP-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(C)c(F)c1 ZINC000020308796 170089592 /nfs/dbraw/zinc/08/95/92/170089592.db2.gz BZQSYKBAHRLKHK-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc2ccccc2n1 ZINC000042209661 170096413 /nfs/dbraw/zinc/09/64/13/170096413.db2.gz RZSXFZUSPWAZAT-JTQLQIEISA-N 0 0 243.310 2.171 10 0 BEAERN CCNC(=O)[C@H](C)Oc1ccc(C)cc1C(C)=O ZINC000035205762 170097029 /nfs/dbraw/zinc/09/70/29/170097029.db2.gz FNRGRYAFQWEVQP-NSHDSACASA-N 0 0 249.310 2.101 10 0 BEAERN CCNC(=O)c1cc(C)ccc1NCC ZINC000053000223 170100093 /nfs/dbraw/zinc/10/00/93/170100093.db2.gz SAUPGCZOUYWAIB-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN CCNC(=O)c1c(N)sc2c1CC[C@@H](C)C2 ZINC000104277300 170100151 /nfs/dbraw/zinc/10/01/51/170100151.db2.gz DPUPCMLPHVRVHU-SSDOTTSWSA-N 0 0 238.356 2.205 10 0 BEAERN CCNC(=O)c1ccc(N)c(OC(C)(C)C)c1 ZINC000103961128 170101948 /nfs/dbraw/zinc/10/19/48/170101948.db2.gz DEWIRNZRSZPWAL-UHFFFAOYSA-N 0 0 236.315 2.196 10 0 BEAERN CCNC(=O)c1ccc(N)c(NCC2CCC2)c1 ZINC000103957433 170102054 /nfs/dbraw/zinc/10/20/54/170102054.db2.gz QEKKQBRUVLJMBB-UHFFFAOYSA-N 0 0 247.342 2.231 10 0 BEAERN CCNC(=O)c1cccc(F)c1NCC ZINC000054205945 170103356 /nfs/dbraw/zinc/10/33/56/170103356.db2.gz MVLHLPKOYGUDHG-UHFFFAOYSA-N 0 0 210.252 2.007 10 0 BEAERN CCNC(C)(C)c1nc(C(C)(C)C)no1 ZINC000061151354 170107784 /nfs/dbraw/zinc/10/77/84/170107784.db2.gz VLZVWTIYVOIEAJ-UHFFFAOYSA-N 0 0 211.309 2.212 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1ccc(C)cc1C ZINC000037181778 170137680 /nfs/dbraw/zinc/13/76/80/170137680.db2.gz BNPABPTVAUQYKZ-LLVKDONJSA-N 0 0 207.273 2.039 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1cc(C)ccc1C ZINC000049670766 170138248 /nfs/dbraw/zinc/13/82/48/170138248.db2.gz BSBIFVIVJVZNAI-LLVKDONJSA-N 0 0 207.273 2.039 10 0 BEAERN CCN[C@@H](c1cscn1)c1ccco1 ZINC000062356796 170149756 /nfs/dbraw/zinc/14/97/56/170149756.db2.gz WRJRIJKBEDOUIL-JTQLQIEISA-N 0 0 208.286 2.435 10 0 BEAERN CCN[C@@H](c1cncnc1)c1cc(F)ccc1F ZINC000104242703 170149826 /nfs/dbraw/zinc/14/98/26/170149826.db2.gz HXJJEKRWBZXFAW-ZDUSSCGKSA-N 0 0 249.264 2.454 10 0 BEAERN CC[NH2+][C@@](C)(C(=O)[O-])c1cc(C)ccc1C ZINC000037181371 170154788 /nfs/dbraw/zinc/15/47/88/170154788.db2.gz NWLBVFXXMVUBQO-CYBMUJFWSA-N 0 0 221.300 2.213 10 0 BEAERN CC[NH2+][C@@H]1c2ccc(F)c(F)c2O[C@H]1C ZINC000062611527 170155327 /nfs/dbraw/zinc/15/53/27/170155327.db2.gz MOWNCBLLAQETIN-WKEGUHRASA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@@](C)(C(N)=O)c1ccc(C(C)C)cc1 ZINC000037447688 170155561 /nfs/dbraw/zinc/15/55/61/170155561.db2.gz VJQPLHPRAIGWTL-CQSZACIVSA-N 0 0 234.343 2.120 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000037181946 170155941 /nfs/dbraw/zinc/15/59/41/170155941.db2.gz FKTNMLQJFYPJGN-VIFPVBQESA-N 0 0 231.654 2.214 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1cc(C)ccc1C ZINC000049670765 170156389 /nfs/dbraw/zinc/15/63/89/170156389.db2.gz BSBIFVIVJVZNAI-NSHDSACASA-N 0 0 207.273 2.039 10 0 BEAERN CCN[C@@H](c1ccc(F)cc1F)c1ncccn1 ZINC000055238936 170165170 /nfs/dbraw/zinc/16/51/70/170165170.db2.gz RUTAQJIQMWVZLP-LBPRGKRZSA-N 0 0 249.264 2.454 10 0 BEAERN CCN[C@](CC)(C(=O)OCC)c1ccccc1 ZINC000037447197 170170631 /nfs/dbraw/zinc/17/06/31/170170631.db2.gz HWQNJCFYXLZGJR-AWEZNQCLSA-N 0 0 235.327 2.465 10 0 BEAERN CCNc1cc(C(=O)N(C)C)nc2ccccc21 ZINC000103920098 170171148 /nfs/dbraw/zinc/17/11/48/170171148.db2.gz FTCGUCXHPRGUBA-UHFFFAOYSA-N 0 0 243.310 2.368 10 0 BEAERN CCNc1cc(=O)c2ccc(OC)cc2o1 ZINC000005853579 170171361 /nfs/dbraw/zinc/17/13/61/170171361.db2.gz BLHODRBPZICEGQ-UHFFFAOYSA-N 0 0 219.240 2.233 10 0 BEAERN CCNc1cc(COC)nc(-c2cccnc2)n1 ZINC000051697574 170172006 /nfs/dbraw/zinc/17/20/06/170172006.db2.gz BEJYCQMJYDYBNK-UHFFFAOYSA-N 0 0 244.298 2.117 10 0 BEAERN CCNc1cc(C)nc(Cc2cccnc2)n1 ZINC000053132822 170172317 /nfs/dbraw/zinc/17/23/17/170172317.db2.gz UWMFMRKZGGSJFK-UHFFFAOYSA-N 0 0 228.299 2.203 10 0 BEAERN CCNc1cc(CN2CCOC(C)(C)C2)ccn1 ZINC000052721677 170172501 /nfs/dbraw/zinc/17/25/01/170172501.db2.gz IQXGJUANRYOPTG-UHFFFAOYSA-N 0 0 249.358 2.124 10 0 BEAERN CCNc1cc(S(C)(=O)=O)ccc1Cl ZINC000036955353 170172599 /nfs/dbraw/zinc/17/25/99/170172599.db2.gz JQYFEOSZMQTMQJ-UHFFFAOYSA-N 0 0 233.720 2.175 10 0 BEAERN CCNc1cc2c(nn1)CC[C@H](CC)C2 ZINC000054931156 170172843 /nfs/dbraw/zinc/17/28/43/170172843.db2.gz XSCFIJLGZUDXBI-VIFPVBQESA-N 0 0 205.305 2.423 10 0 BEAERN CCNc1cc(OCCOC)nc(C(C)C)n1 ZINC000082483531 170172847 /nfs/dbraw/zinc/17/28/47/170172847.db2.gz VGTAMZYRBZCXKE-UHFFFAOYSA-N 0 0 239.319 2.057 10 0 BEAERN CCNc1ccc(-c2ccccc2O)nn1 ZINC000054931166 170173097 /nfs/dbraw/zinc/17/30/97/170173097.db2.gz XWVUMXMRIBMUDF-UHFFFAOYSA-N 0 0 215.256 2.281 10 0 BEAERN CCNc1ccc(Sc2nc[nH]n2)cc1 ZINC000037090852 170174266 /nfs/dbraw/zinc/17/42/66/170174266.db2.gz VQFJIQZQFXOSKQ-UHFFFAOYSA-N 0 0 220.301 2.388 10 0 BEAERN CCNc1nc(-c2cc(F)cc(F)c2)no1 ZINC000053750343 170175406 /nfs/dbraw/zinc/17/54/06/170175406.db2.gz MZFJGQPXCONEBQ-UHFFFAOYSA-N 0 0 225.198 2.447 10 0 BEAERN CCNc1ccnc(-c2ncccc2C)n1 ZINC000050863868 170175416 /nfs/dbraw/zinc/17/54/16/170175416.db2.gz XUFSZQRWAQLAEJ-UHFFFAOYSA-N 0 0 214.272 2.279 10 0 BEAERN CCNc1ccnc(C(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC000071211463 170175422 /nfs/dbraw/zinc/17/54/22/170175422.db2.gz JHFPGCKHFKIKJC-ZYHUDNBSSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1cnn(Cc2ccccc2)c1 ZINC000003628593 170175493 /nfs/dbraw/zinc/17/54/93/170175493.db2.gz HBLPMHWSVITEOG-UHFFFAOYSA-N 0 0 201.273 2.363 10 0 BEAERN CCNc1ccnc(C(=O)NCc2ccco2)c1 ZINC000050725065 170175730 /nfs/dbraw/zinc/17/57/30/170175730.db2.gz KMGJDQKJWZFRTM-UHFFFAOYSA-N 0 0 245.282 2.036 10 0 BEAERN CCNc1nc(Cc2cccs2)no1 ZINC000053750243 170176872 /nfs/dbraw/zinc/17/68/72/170176872.db2.gz GOPJIMJZOWVZJG-UHFFFAOYSA-N 0 0 209.274 2.154 10 0 BEAERN CCNc1ncccc1C(=O)Nc1cc(C)no1 ZINC000050718380 170178161 /nfs/dbraw/zinc/17/81/61/170178161.db2.gz FXNJOLGYGHUJMC-UHFFFAOYSA-N 0 0 246.270 2.062 10 0 BEAERN CCNc1ncnc(NCc2ccccc2)c1N ZINC000040707204 170178235 /nfs/dbraw/zinc/17/82/35/170178235.db2.gz NZPFMHXXBKGIMV-UHFFFAOYSA-N 0 0 243.314 2.103 10 0 BEAERN CCNc1ncnc(Nc2ccccc2F)c1N ZINC000040707320 170178367 /nfs/dbraw/zinc/17/83/67/170178367.db2.gz UEKVWOSKHGBENT-UHFFFAOYSA-N 0 0 247.277 2.373 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)C(C)(C)C ZINC000041210298 170185410 /nfs/dbraw/zinc/18/54/10/170185410.db2.gz QLABDWOKOPCKNF-UHFFFAOYSA-N 0 0 200.278 2.191 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)c1cc(C)ccn1 ZINC000104415725 170186046 /nfs/dbraw/zinc/18/60/46/170186046.db2.gz PKVIJGRDSXEYNM-UHFFFAOYSA-N 0 0 235.283 2.162 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)c1ccco1 ZINC000041219241 170186164 /nfs/dbraw/zinc/18/61/64/170186164.db2.gz OZIQXTMRNJQPBH-UHFFFAOYSA-N 0 0 210.229 2.052 10 0 BEAERN CCOC(=O)C(C)(C)Oc1ccc2c(c1)CCN2 ZINC000089209763 170188098 /nfs/dbraw/zinc/18/80/98/170188098.db2.gz UPCUNZSJIVIODQ-UHFFFAOYSA-N 0 0 249.310 2.375 10 0 BEAERN CCOC(=O)C1(c2cccnc2)CCC1 ZINC000117770483 170191231 /nfs/dbraw/zinc/19/12/31/170191231.db2.gz WAAKJVJOVBKPSD-UHFFFAOYSA-N 0 0 205.257 2.066 10 0 BEAERN CCc1cc(CC)n(CCCn2ccnc2)n1 ZINC000131581314 411567301 /nfs/dbraw/zinc/56/73/01/411567301.db2.gz PSUOPZJQIHTFLT-UHFFFAOYSA-N 0 0 232.331 2.295 10 0 BEAERN CCOC(=O)CNC12CC3CC(CC(C3)C1)C2 ZINC000020038201 170225187 /nfs/dbraw/zinc/22/51/87/170225187.db2.gz PVPJAAGRQBJWQT-UHFFFAOYSA-N 0 0 237.343 2.108 10 0 BEAERN CCOC(=O)C[C@H]1Cc2ccc(O)cc2C1 ZINC000091297240 170234438 /nfs/dbraw/zinc/23/44/38/170234438.db2.gz NXAHYDZYTLMBQZ-VIFPVBQESA-N 0 0 220.268 2.060 10 0 BEAERN CCOC(=O)Cc1nc(C(C)C)cs1 ZINC000034956287 170235789 /nfs/dbraw/zinc/23/57/89/170235789.db2.gz MOMXPRPSYDHAKJ-UHFFFAOYSA-N 0 0 213.302 2.372 10 0 BEAERN CCOC(=O)Cc1nc(-c2ccccn2)cs1 ZINC000034956312 170236281 /nfs/dbraw/zinc/23/62/81/170236281.db2.gz UNYPKERZIWRKBQ-UHFFFAOYSA-N 0 0 248.307 2.311 10 0 BEAERN CCOC(=O)N1CCC2(C1)SCCS2 ZINC000015042697 170239167 /nfs/dbraw/zinc/23/91/67/170239167.db2.gz OQBMBYVMVRNMQN-UHFFFAOYSA-N 0 0 233.358 2.025 10 0 BEAERN CCOC(=O)N1CC(=O)C[C@H]1c1ccccc1 ZINC000299889723 170239555 /nfs/dbraw/zinc/23/95/55/170239555.db2.gz NUNVKJYNCZZLFO-LBPRGKRZSA-N 0 0 233.267 2.159 10 0 BEAERN CCOC(=O)NCC[C@@H]1CNc2ccccc21 ZINC000019424806 170241924 /nfs/dbraw/zinc/24/19/24/170241924.db2.gz IFEFWPUWNLISKO-SNVBAGLBSA-N 0 0 234.299 2.332 10 0 BEAERN CCOC(=O)Nc1ccc2[nH]cnc2c1 ZINC000065006335 170243894 /nfs/dbraw/zinc/24/38/94/170243894.db2.gz PCTCRCQRAXQEHP-UHFFFAOYSA-N 0 0 205.217 2.131 10 0 BEAERN CCOC(=O)Nc1cc(Cl)ccc1N ZINC000019388698 170244166 /nfs/dbraw/zinc/24/41/66/170244166.db2.gz XHIUARNVUBZLNO-UHFFFAOYSA-N 0 0 214.652 2.491 10 0 BEAERN CCOC(=O)[C@@H](CC)CC(OCC)OCC ZINC000074942447 170250201 /nfs/dbraw/zinc/25/02/01/170250201.db2.gz PMCCDXCFKJPNRD-JTQLQIEISA-N 0 0 232.320 2.365 10 0 BEAERN CCOC(=O)[C@@](C)(N)Cc1ccccc1Cl ZINC000095748729 170261993 /nfs/dbraw/zinc/26/19/93/170261993.db2.gz OMWQBMUDMLXIGL-LBPRGKRZSA-N 0 0 241.718 2.163 10 0 BEAERN CCOC(=O)[C@@]1(NCC2CC2)CCCC[C@H]1C ZINC000037968021 170263118 /nfs/dbraw/zinc/26/31/18/170263118.db2.gz SXDYVQQWDHXNOI-BXUZGUMPSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000049367832 170268648 /nfs/dbraw/zinc/26/86/48/170268648.db2.gz VSEYTOOABQMYRA-ZJUUUORDSA-N 0 0 239.290 2.428 10 0 BEAERN CCOC(=O)[C@H](NCC1CC1)c1ccsc1 ZINC000037968186 170277247 /nfs/dbraw/zinc/27/72/47/170277247.db2.gz SZLVEBWEFVWCTQ-LLVKDONJSA-N 0 0 239.340 2.352 10 0 BEAERN CCOC(=O)[C@H](NC)c1ccc(F)c(Cl)c1 ZINC000076187048 170277483 /nfs/dbraw/zinc/27/74/83/170277483.db2.gz UZEWESQKQSSZNG-SNVBAGLBSA-N 0 0 245.681 2.303 10 0 BEAERN CCOC(=O)C1=C([O-])c2cc3ccccc3n2C1 ZINC000039249901 170283147 /nfs/dbraw/zinc/28/31/47/170283147.db2.gz NPJLELHWBJVTMQ-JTQLQIEISA-N 0 0 243.262 2.017 10 0 BEAERN CCOC(=O)c1[nH]cc(-c2ccccc2)c1N ZINC000073665473 170286701 /nfs/dbraw/zinc/28/67/01/170286701.db2.gz DLBRQGBKUSUXHQ-UHFFFAOYSA-N 0 0 230.267 2.441 10 0 BEAERN CCOC(=O)c1[nH]c2c(cccc2O)c1C ZINC000196721370 170286886 /nfs/dbraw/zinc/28/68/86/170286886.db2.gz OCPCAWUXXQBUAM-UHFFFAOYSA-N 0 0 219.240 2.359 10 0 BEAERN CCOC(=O)[C@]1(NCC2CC2)CCCC[C@@H]1C ZINC000037968018 170286942 /nfs/dbraw/zinc/28/69/42/170286942.db2.gz SXDYVQQWDHXNOI-FZMZJTMJSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)c1c(C)nc(Cl)nc1Cl ZINC000143752503 170288327 /nfs/dbraw/zinc/28/83/27/170288327.db2.gz NBLFZEOAMBXUEI-UHFFFAOYSA-N 0 0 235.070 2.269 10 0 BEAERN CCOC(=O)c1cnc2cc(C)c[nH]c1-2 ZINC000095803880 170289798 /nfs/dbraw/zinc/28/97/98/170289798.db2.gz ZASIDYCYCNXKHC-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1cc(CCc2ccccc2)[nH]n1 ZINC000083187372 170291606 /nfs/dbraw/zinc/29/16/06/170291606.db2.gz AQQIXTOJTDAQDX-UHFFFAOYSA-N 0 0 244.294 2.372 10 0 BEAERN CCOC(=O)c1cc(N)ccc1OC1CCC1 ZINC000050520850 170292363 /nfs/dbraw/zinc/29/23/63/170292363.db2.gz GAOUQHNJUAIPES-UHFFFAOYSA-N 0 0 235.283 2.377 10 0 BEAERN CCOC(=O)c1cc(N)ccc1N[C@H]1C[C@H]1C ZINC000052300260 170292605 /nfs/dbraw/zinc/29/26/05/170292605.db2.gz ICCIBYAEMZRMBN-PELKAZGASA-N 0 0 234.299 2.266 10 0 BEAERN CCOC(=O)c1cc(O)c2ccc(N)cc2c1 ZINC000088321913 170292734 /nfs/dbraw/zinc/29/27/34/170292734.db2.gz UUOGGHGTRWXBLI-UHFFFAOYSA-N 0 0 231.251 2.304 10 0 BEAERN CCOC(=O)c1cc2c(cccc2O)n1C ZINC000000009020 170293157 /nfs/dbraw/zinc/29/31/57/170293157.db2.gz NCFRPTLPGWKEIX-UHFFFAOYSA-N 0 0 219.240 2.061 10 0 BEAERN CCOC(=O)c1cc2c[nH]nc2c(OCC)c1 ZINC000089196879 170293253 /nfs/dbraw/zinc/29/32/53/170293253.db2.gz VZWJLBZFAWICDT-UHFFFAOYSA-N 0 0 234.255 2.138 10 0 BEAERN CCOC(=O)c1ccc(Br)nc1F ZINC000047203048 170294669 /nfs/dbraw/zinc/29/46/69/170294669.db2.gz NPSFOUUEENRBCG-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(CO)c1 ZINC000299889495 170295095 /nfs/dbraw/zinc/29/50/95/170295095.db2.gz KEGMFUPARNTSRR-UHFFFAOYSA-N 0 0 214.648 2.009 10 0 BEAERN CCOC(=O)c1ccc(C2OCCO2)cc1F ZINC000095830436 170295527 /nfs/dbraw/zinc/29/55/27/170295527.db2.gz UFNCGVDSSJNWCI-UHFFFAOYSA-N 0 0 240.230 2.048 10 0 BEAERN CCOC(=O)c1ccc(CCC(C)=O)cc1 ZINC000039117812 170295782 /nfs/dbraw/zinc/29/57/82/170295782.db2.gz GYHQHPIRJZUHHD-UHFFFAOYSA-N 0 0 220.268 2.385 10 0 BEAERN CCOC(=O)c1ccc(F)c(Cl)n1 ZINC000047203086 170296435 /nfs/dbraw/zinc/29/64/35/170296435.db2.gz KWTMHGPYAWOBKD-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1ccc(N[C@@H]2C[C@@H]2CC)nc1 ZINC000227014011 170297070 /nfs/dbraw/zinc/29/70/70/170297070.db2.gz YTIRNYSGVLGUIS-GXSJLCMTSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1ccc(N[C@@H]2C[C@H]2C)nc1 ZINC000052291673 170297297 /nfs/dbraw/zinc/29/72/97/170297297.db2.gz OTRRLDNNKVTLLR-PSASIEDQSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1ccc2c(C=O)c[nH]c2c1 ZINC000072319798 170297464 /nfs/dbraw/zinc/29/74/64/170297464.db2.gz YNSYTQBKMLZEQM-UHFFFAOYSA-N 0 0 217.224 2.157 10 0 BEAERN CCOC(=O)c1ccc([C@H](O)CC)cc1 ZINC000039117754 170297744 /nfs/dbraw/zinc/29/77/44/170297744.db2.gz DTTSRNBCKONNSB-LLVKDONJSA-N 0 0 208.257 2.307 10 0 BEAERN CCOC(=O)c1cccc2c(C=O)c[nH]c21 ZINC000072319799 170299106 /nfs/dbraw/zinc/29/91/06/170299106.db2.gz XUTDEDCNVFAAEQ-UHFFFAOYSA-N 0 0 217.224 2.157 10 0 BEAERN CCOC(=O)c1ccnn1Cc1ccccc1 ZINC000083183976 170300535 /nfs/dbraw/zinc/30/05/35/170300535.db2.gz FBWMYFUJHFBZLG-UHFFFAOYSA-N 0 0 230.267 2.108 10 0 BEAERN CCOC(=O)c1cn2c(n1)sc1c2CCC1 ZINC000009238593 170301065 /nfs/dbraw/zinc/30/10/65/170301065.db2.gz AYAYTVULXMUHPF-UHFFFAOYSA-N 0 0 236.296 2.061 10 0 BEAERN CCOC(=O)c1cnc(C(F)(F)F)nc1CC ZINC000015809864 170301704 /nfs/dbraw/zinc/30/17/04/170301704.db2.gz FOYXJDNTDCRTLI-UHFFFAOYSA-N 0 0 248.204 2.235 10 0 BEAERN CCOC(=O)c1cnc(Cl)c2cc[nH]c21 ZINC000089220827 170301830 /nfs/dbraw/zinc/30/18/30/170301830.db2.gz NBSIOJCPFWKANO-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN CCOC(=O)c1cnc2ccccc2c1NC ZINC000040175694 170302059 /nfs/dbraw/zinc/30/20/59/170302059.db2.gz JGJGAWXZPQRTIY-UHFFFAOYSA-N 0 0 230.267 2.453 10 0 BEAERN CCOC(=O)c1n[nH]c2cc(C)c(C)cc21 ZINC000035569399 170305559 /nfs/dbraw/zinc/30/55/59/170305559.db2.gz RLWHJWXCQYRROA-UHFFFAOYSA-N 0 0 218.256 2.356 10 0 BEAERN CCOC(=O)c1oc2cc(F)ccc2c1N ZINC000096029064 170309468 /nfs/dbraw/zinc/30/94/68/170309468.db2.gz BICNQSGQFBFNMO-UHFFFAOYSA-N 0 0 223.203 2.331 10 0 BEAERN CCOC(=O)c1oc(C)nc1C(F)(F)F ZINC000232304855 170309473 /nfs/dbraw/zinc/30/94/73/170309473.db2.gz PZGPNTCLOULSQT-UHFFFAOYSA-N 0 0 223.150 2.179 10 0 BEAERN CCOC1=NCCN(C(=O)OC(C)(C)C)CC1 ZINC000066346664 170320922 /nfs/dbraw/zinc/32/09/22/170320922.db2.gz MTMDPZVJLKJILN-UHFFFAOYSA-N 0 0 242.319 2.062 10 0 BEAERN CCOC1=NO[C@H](C(=O)c2ccccc2)C1 ZINC000039100566 170320981 /nfs/dbraw/zinc/32/09/81/170320981.db2.gz CWICFGGMQADCEK-JTQLQIEISA-N 0 0 219.240 2.008 10 0 BEAERN CCOCCCNc1nc(Cl)ncc1C ZINC000082501453 170384089 /nfs/dbraw/zinc/38/40/89/170384089.db2.gz BFXCKDBHUUYXLQ-UHFFFAOYSA-N 0 0 229.711 2.277 10 0 BEAERN CCOP(=O)(OCC)Oc1cc(C)[nH]n1 ZINC000003873456 170469801 /nfs/dbraw/zinc/46/98/01/170469801.db2.gz CDCTYRNLXFEDHC-UHFFFAOYSA-N 0 0 234.192 2.278 10 0 BEAERN CCCc1nccnc1N1CCC(CCO)CC1 ZINC000663569312 411704063 /nfs/dbraw/zinc/70/40/63/411704063.db2.gz GFPKSSKDLSJSBP-UHFFFAOYSA-N 0 0 249.358 2.028 10 0 BEAERN CCCc1nccnc1NC[C@H](O)C(C)(C)C ZINC000663599732 411707956 /nfs/dbraw/zinc/70/79/56/411707956.db2.gz VITDFBIYOMDUMZ-NSHDSACASA-N 0 0 237.347 2.248 10 0 BEAERN CCCc1nccnc1NC[C@H](O)CCC ZINC000663599652 411708446 /nfs/dbraw/zinc/70/84/46/411708446.db2.gz UNPTXEUYCAQWPQ-SNVBAGLBSA-N 0 0 223.320 2.002 10 0 BEAERN CCCc1nccnc1N[C@@H](CC)CCO ZINC000663651793 411716391 /nfs/dbraw/zinc/71/63/91/411716391.db2.gz RAMWLYZZSBTHDJ-JTQLQIEISA-N 0 0 223.320 2.002 10 0 BEAERN CCOc1ccc(C(=O)N(CC)C2CC2)cc1N ZINC000042268992 170537240 /nfs/dbraw/zinc/53/72/40/170537240.db2.gz BRLZVXIDXTYYHZ-UHFFFAOYSA-N 0 0 248.326 2.292 10 0 BEAERN CCOc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1OC ZINC000075521650 170537833 /nfs/dbraw/zinc/53/78/33/170537833.db2.gz SVTMBYYBWUZXTG-KOLCDFICSA-N 0 0 249.310 2.232 10 0 BEAERN CCOc1ccc(CNc2cn[nH]c2)cc1OC ZINC000035763670 170546860 /nfs/dbraw/zinc/54/68/60/170546860.db2.gz LEDJNKQDMLOWBR-UHFFFAOYSA-N 0 0 247.298 2.429 10 0 BEAERN CCOc1ccc2c3ccccc3nn2n1 ZINC000039099999 170569880 /nfs/dbraw/zinc/56/98/80/170569880.db2.gz DQHKKGOQZWQDIN-UHFFFAOYSA-N 0 0 213.240 2.281 10 0 BEAERN CCOc1ccc2[nH]c(=NN)c(CC)cc2c1 ZINC000011634043 170570813 /nfs/dbraw/zinc/57/08/13/170570813.db2.gz NEISRYIBLBGCSS-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN CCOc1cccc(NCC(=O)N2CCCC2)c1 ZINC000049566010 170581349 /nfs/dbraw/zinc/58/13/49/170581349.db2.gz FAKLLGGLVHGQLE-UHFFFAOYSA-N 0 0 248.326 2.120 10 0 BEAERN CCCc1nccnc1N(C)C[C@@H]1CCC[C@@H]1O ZINC000663746293 411738056 /nfs/dbraw/zinc/73/80/56/411738056.db2.gz XOBVTTYUMMALFQ-AAEUAGOBSA-N 0 0 249.358 2.026 10 0 BEAERN CCOc1ccccc1N[C@@H](C)CC(=O)OC ZINC000035747759 170595823 /nfs/dbraw/zinc/59/58/23/170595823.db2.gz CSVBTQKDLDJQHR-JTQLQIEISA-N 0 0 237.299 2.449 10 0 BEAERN CCOc1ccccc1OCC(C)(C)CO ZINC000041244579 170596600 /nfs/dbraw/zinc/59/66/00/170596600.db2.gz XXUYWBOXYZARQX-UHFFFAOYSA-N 0 0 224.300 2.483 10 0 BEAERN CCS(=O)(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000070237982 170616266 /nfs/dbraw/zinc/61/62/66/170616266.db2.gz DJYYZDQNRNDXEB-JQWIXIFHSA-N 0 0 245.388 2.237 10 0 BEAERN CCCc1nccnc1NCCCCCO ZINC000663855579 411762706 /nfs/dbraw/zinc/76/27/06/411762706.db2.gz FKALSHUJEZIKKU-UHFFFAOYSA-N 0 0 223.320 2.004 10 0 BEAERN CCS(=O)(=O)c1ccc(N[C@H]2C[C@H]2C)cc1 ZINC000052291028 170624489 /nfs/dbraw/zinc/62/44/89/170624489.db2.gz ZWDXEVHMVOKWFM-SKDRFNHKSA-N 0 0 239.340 2.301 10 0 BEAERN CCCc1nccnc1NCCC1(O)CCC1 ZINC000663890314 411769128 /nfs/dbraw/zinc/76/91/28/411769128.db2.gz PDNJULJWYOIOTQ-UHFFFAOYSA-N 0 0 235.331 2.146 10 0 BEAERN CCSc1nc(Cl)nc2n[nH]cc21 ZINC000004353475 170657518 /nfs/dbraw/zinc/65/75/18/170657518.db2.gz DUMAOUPUPXQPQZ-UHFFFAOYSA-N 0 0 214.681 2.118 10 0 BEAERN CC[C@@H](C)CNC(=O)c1cc(N)ccc1F ZINC000054466151 170705749 /nfs/dbraw/zinc/70/57/49/170705749.db2.gz DSHXALANDKUONC-MRVPVSSYSA-N 0 0 224.279 2.184 10 0 BEAERN CCN1C[C@@H](c2c[nH]nc2N)Cc2ccccc21 ZINC000616673136 411858115 /nfs/dbraw/zinc/85/81/15/411858115.db2.gz NRJPILAKHGFINX-NSHDSACASA-N 0 0 242.326 2.158 10 0 BEAERN CC[C@@H](C)Nc1cc(C)cc2ncnn21 ZINC000035047891 170759527 /nfs/dbraw/zinc/75/95/27/170759527.db2.gz UANWMRWXIFQQLX-SECBINFHSA-N 0 0 204.277 2.248 10 0 BEAERN CC[C@@H](C)Oc1cccc(N[C@@H](C)C(N)=O)c1 ZINC000051780747 170766797 /nfs/dbraw/zinc/76/67/97/170766797.db2.gz ZQYGTZMMJOIXLH-ZJUUUORDSA-N 0 0 236.315 2.150 10 0 BEAERN CC[C@@H](CO)Nc1ccc(N)cc1C(F)(F)F ZINC000037754553 170843405 /nfs/dbraw/zinc/84/34/05/170843405.db2.gz NSXHIULAKAKAPG-QMMMGPOBSA-N 0 0 248.248 2.470 10 0 BEAERN CC[C@@H](NC(=O)Cc1cccc(N)c1)C(C)C ZINC000052923433 170877932 /nfs/dbraw/zinc/87/79/32/170877932.db2.gz MZDVNXCHZMIRAH-CYBMUJFWSA-N 0 0 234.343 2.362 10 0 BEAERN CC1CCC(N(C)C(=O)c2ncccc2N)CC1 ZINC000132487239 411993882 /nfs/dbraw/zinc/99/38/82/411993882.db2.gz DIQRVFLTZXSVFB-UHFFFAOYSA-N 0 0 247.342 2.315 10 0 BEAERN OCC1CC(Nc2nc3ccccc3s2)C1 ZINC000664644522 412004917 /nfs/dbraw/zinc/00/49/17/412004917.db2.gz HGWPXJCEPCJPLP-UHFFFAOYSA-N 0 0 234.324 2.479 10 0 BEAERN Nc1cc([C@@H]2CCc3ccccc3N2)[nH]n1 ZINC000616666689 411947794 /nfs/dbraw/zinc/94/77/94/411947794.db2.gz RHTPFAHPTOKEMZ-JTQLQIEISA-N 0 0 214.272 2.091 10 0 BEAERN CC[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000003607441 170938659 /nfs/dbraw/zinc/93/86/59/170938659.db2.gz KEHJQAQDJPWHJF-SNVBAGLBSA-N 0 0 208.257 2.291 10 0 BEAERN CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662211467 412025940 /nfs/dbraw/zinc/02/59/40/412025940.db2.gz OYTXTPZYVJKKLK-KXUCPTDWSA-N 0 0 249.301 2.320 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000121667698 170961332 /nfs/dbraw/zinc/96/13/32/170961332.db2.gz OUUQKUILBTYTCR-TUAOUCFPSA-N 0 0 225.332 2.345 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(N)cn1C ZINC000042577208 170967414 /nfs/dbraw/zinc/96/74/14/170967414.db2.gz CFTUMSGPMVFTKS-PWSUYJOCSA-N 0 0 249.358 2.306 10 0 BEAERN CC[C@@H]1CCCN1C(=O)c1cc(N)ccc1F ZINC000037912719 170979773 /nfs/dbraw/zinc/97/97/73/170979773.db2.gz CXBDIUJIAWUBEW-SNVBAGLBSA-N 0 0 236.290 2.423 10 0 BEAERN CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000132410089 170999699 /nfs/dbraw/zinc/99/96/99/170999699.db2.gz ZQCVFJPSYDNERE-DDHJBXDOSA-N 0 0 240.347 2.042 10 0 BEAERN CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000040443125 171005511 /nfs/dbraw/zinc/00/55/11/171005511.db2.gz ZDIZVOYIUYVPCG-NXEZZACHSA-N 0 0 229.320 2.014 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000134493673 171006174 /nfs/dbraw/zinc/00/61/74/171006174.db2.gz JAABQZRULFXHOK-MNOVXSKESA-N 0 0 247.342 2.088 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1Cc1ccnc(NC)c1 ZINC000052729859 171114688 /nfs/dbraw/zinc/11/46/88/171114688.db2.gz OMLYBUMUGGYOAZ-DGCLKSJQSA-N 0 0 249.358 2.123 10 0 BEAERN CC[C@@H]1CSC(NCc2nccs2)=[NH+]1 ZINC000049534283 171114793 /nfs/dbraw/zinc/11/47/93/171114793.db2.gz YXBNMOSYDKPDFP-SSDOTTSWSA-N 0 0 227.358 2.114 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nc(OC)ncc1Cl ZINC000225356248 171142584 /nfs/dbraw/zinc/14/25/84/171142584.db2.gz CZFZAPCPMXUCEA-HTRCEHHLSA-N 0 0 227.695 2.349 10 0 BEAERN CC[C@@H]1NCCN(Cc2cc(C)cc(C)c2)C1=O ZINC000104130836 171145876 /nfs/dbraw/zinc/14/58/76/171145876.db2.gz FBKCEUGCSOJUDJ-AWEZNQCLSA-N 0 0 246.354 2.014 10 0 BEAERN CC[C@@](C)(CCO)Nc1cc(C)nc(C)n1 ZINC000189505662 171167366 /nfs/dbraw/zinc/16/73/66/171167366.db2.gz MOYXBLURMYELDL-LBPRGKRZSA-N 0 0 223.320 2.056 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2ccc(C)o2)n1 ZINC000041052929 171172611 /nfs/dbraw/zinc/17/26/11/171172611.db2.gz CKNXFWRVIFXURL-LLVKDONJSA-N 0 0 221.260 2.222 10 0 BEAERN CC[C@@](C)(Nc1ccc(Cl)cc1)C(N)=O ZINC000037945278 171176655 /nfs/dbraw/zinc/17/66/55/171176655.db2.gz BXUWNAKOZLZZCR-LLVKDONJSA-N 0 0 226.707 2.406 10 0 BEAERN CC[C@@](C)(Nc1cccc(OC)c1)C(=O)OC ZINC000037961203 171178184 /nfs/dbraw/zinc/17/81/84/171178184.db2.gz JKVWGPWWHAWBIH-CYBMUJFWSA-N 0 0 237.299 2.449 10 0 BEAERN CC[C@@]1(Cc2ccccc2)CCNC1=O ZINC000029557963 171212548 /nfs/dbraw/zinc/21/25/48/171212548.db2.gz DWLPEYJHWYFXNI-ZDUSSCGKSA-N 0 0 203.285 2.145 10 0 BEAERN CC[C@H](C(=O)N1CCCO1)c1ccccc1 ZINC000125399228 171224054 /nfs/dbraw/zinc/22/40/54/171224054.db2.gz QKRQBVPAJZFCJA-LBPRGKRZSA-N 0 0 219.284 2.344 10 0 BEAERN CC[C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000041279956 171242112 /nfs/dbraw/zinc/24/21/12/171242112.db2.gz CLAFJXOVMGKEHW-JTQLQIEISA-N 0 0 238.283 2.370 10 0 BEAERN CC[C@H](C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123130901 171249474 /nfs/dbraw/zinc/24/94/74/171249474.db2.gz TYIUGSOWGZTHOZ-WCQYABFASA-N 0 0 248.326 2.107 10 0 BEAERN CC[C@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000019470949 171255689 /nfs/dbraw/zinc/25/56/89/171255689.db2.gz PUINPKMOBRVDRC-QMMMGPOBSA-N 0 0 236.340 2.305 10 0 BEAERN CC[C@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000019476494 171255809 /nfs/dbraw/zinc/25/58/09/171255809.db2.gz YTCDZWVNLRTISG-QMMMGPOBSA-N 0 0 236.340 2.305 10 0 BEAERN CC[C@H](C)CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000188977453 171258418 /nfs/dbraw/zinc/25/84/18/171258418.db2.gz DWCJJHILIRCWFJ-QWHCGFSZSA-N 0 0 249.358 2.310 10 0 BEAERN CC[C@H](C)CN(C)Cc1nnc(C2CC2)n1C ZINC000111253829 171274376 /nfs/dbraw/zinc/27/43/76/171274376.db2.gz ZVSYOXGVAMVMQS-JTQLQIEISA-N 0 0 236.363 2.170 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(N)c(C)s1 ZINC000054466318 171283940 /nfs/dbraw/zinc/28/39/40/171283940.db2.gz KEHUXCDKBHFUGD-ZETCQYMHSA-N 0 0 226.345 2.415 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(N)nc(Cl)c1 ZINC000054492647 171284185 /nfs/dbraw/zinc/28/41/85/171284185.db2.gz OLKLGFDZRMXQLQ-ZETCQYMHSA-N 0 0 241.722 2.093 10 0 BEAERN CC[C@H](C)CNc1cc(-n2cnnn2)ccc1F ZINC000037773620 171288315 /nfs/dbraw/zinc/28/83/15/171288315.db2.gz GOANFFASEJEEQP-VIFPVBQESA-N 0 0 249.293 2.259 10 0 BEAERN CC[C@H](C)Cn1nc(C)c(Cl)c1N ZINC000043667894 171300848 /nfs/dbraw/zinc/30/08/48/171300848.db2.gz QZJPZQFXWARYNI-LURJTMIESA-N 0 0 201.701 2.473 10 0 BEAERN CC[C@H](C)N(CC)c1nc2ccccn2c1C[NH3+] ZINC000035449407 171311560 /nfs/dbraw/zinc/31/15/60/171311560.db2.gz AHWNNRQESPNOPR-NSHDSACASA-N 0 0 246.358 2.418 10 0 BEAERN CC[C@H](C)NC(=O)CNc1ccc(N(C)C)cc1 ZINC000035164842 171326137 /nfs/dbraw/zinc/32/61/37/171326137.db2.gz TWDNXDILNYEVRB-NSHDSACASA-N 0 0 249.358 2.079 10 0 BEAERN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc(C)o1 ZINC000037979126 171326461 /nfs/dbraw/zinc/32/64/61/171326461.db2.gz JAZCIKYLRSBXIR-GXSJLCMTSA-N 0 0 238.331 2.153 10 0 BEAERN CC[C@H](C)NC(=O)Cn1ccc2ccc(N)cc21 ZINC000037222416 171328223 /nfs/dbraw/zinc/32/82/23/171328223.db2.gz CBCZKWPYHUITIK-JTQLQIEISA-N 0 0 245.326 2.138 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(F)c(F)cc1N ZINC000050016164 171336455 /nfs/dbraw/zinc/33/64/55/171336455.db2.gz XNSNKRGZAUQLLZ-LURJTMIESA-N 0 0 228.242 2.075 10 0 BEAERN CC[C@H](C)NS(=O)(=O)/C=C\c1ccccc1 ZINC000095938595 171344071 /nfs/dbraw/zinc/34/40/71/171344071.db2.gz NXIDHHDPXSKZBI-JUDLJHIGSA-N 0 0 239.340 2.375 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000038066419 171347106 /nfs/dbraw/zinc/34/71/06/171347106.db2.gz VEGZRLHGTNATGJ-CABZTGNLSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@H](C)[NH2+][C@@](C)(C(=O)[O-])c1cccc(O)c1 ZINC000038066283 171347118 /nfs/dbraw/zinc/34/71/18/171347118.db2.gz HMGVSEGSGZDSCI-TVQRCGJNSA-N 0 0 237.299 2.080 10 0 BEAERN CC[C@H](C)Nc1ccc(F)c(C(N)=O)c1 ZINC000037021459 171349348 /nfs/dbraw/zinc/34/93/48/171349348.db2.gz YNPLAUKUSOKLSS-ZETCQYMHSA-N 0 0 210.252 2.135 10 0 BEAERN CC[C@H](C)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000035355773 171349837 /nfs/dbraw/zinc/34/98/37/171349837.db2.gz ZOFWZICTIYWOQZ-QMMMGPOBSA-N 0 0 233.315 2.364 10 0 BEAERN CC[C@H](C)Nc1cccnc1-n1cccn1 ZINC000037122060 171350442 /nfs/dbraw/zinc/35/04/42/171350442.db2.gz IMPDQJLNZVTWRR-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)Nc1ccc2oc(=O)[nH]c2c1 ZINC000037130083 171350560 /nfs/dbraw/zinc/35/05/60/171350560.db2.gz SJBBFUGZJJSILK-ZETCQYMHSA-N 0 0 206.245 2.332 10 0 BEAERN CC[C@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)CC ZINC000004976131 171351348 /nfs/dbraw/zinc/35/13/48/171351348.db2.gz MWJNGKOBSUBRNM-GOPXOUGQSA-N 0 0 228.288 2.226 10 0 BEAERN CC[C@H](C)OC(=O)[C@H]1CNc2ccccc2O1 ZINC000048265431 171351435 /nfs/dbraw/zinc/35/14/35/171351435.db2.gz UCNLFLLWWZGQTJ-JOYOIKCWSA-N 0 0 235.283 2.201 10 0 BEAERN CC[C@H](C)OCCC(=O)Nc1cccc(N)c1 ZINC000048263624 171355334 /nfs/dbraw/zinc/35/53/34/171355334.db2.gz GTSYZUBADBWDAX-JTQLQIEISA-N 0 0 236.315 2.413 10 0 BEAERN CC[C@H](C)S(=O)(=O)Cc1cccc(N)c1C ZINC000035649072 171357078 /nfs/dbraw/zinc/35/70/78/171357078.db2.gz WYYATIIQBVJDQF-VIFPVBQESA-N 0 0 241.356 2.291 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1ccc(N)cc1N ZINC000042551090 171388384 /nfs/dbraw/zinc/38/83/84/171388384.db2.gz JJPIISRDNQQNNF-IUCAKERBSA-N 0 0 235.331 2.015 10 0 BEAERN CC[C@H](C)[C@H](C)Nc1c(N)c(C)nn1C ZINC000042552637 171391116 /nfs/dbraw/zinc/39/11/16/171391116.db2.gz JJFFPFDNCNEKPP-YUMQZZPRSA-N 0 0 210.325 2.157 10 0 BEAERN CCC1(C)CCN(C(=O)c2ncccc2N)CC1 ZINC000132687384 412197827 /nfs/dbraw/zinc/19/78/27/412197827.db2.gz QZXSNNAEHZUJBH-UHFFFAOYSA-N 0 0 247.342 2.316 10 0 BEAERN CC[C@H](Nc1c(N)c(C)nn1C)C(C)C ZINC000042586795 171550440 /nfs/dbraw/zinc/55/04/40/171550440.db2.gz HPQOTRASRZVAQW-VIFPVBQESA-N 0 0 210.325 2.157 10 0 BEAERN CC[C@H](Nc1cn[nH]c(=O)c1Cl)C(C)C ZINC000066388076 171551766 /nfs/dbraw/zinc/55/17/66/171551766.db2.gz LHUJLASZWGAYDM-ZETCQYMHSA-N 0 0 229.711 2.270 10 0 BEAERN CC[C@H](C)C[C@@H](C)NC(=O)c1ncccc1N ZINC000132754989 412256470 /nfs/dbraw/zinc/25/64/70/412256470.db2.gz RZYHDJNYGFEABL-VHSXEESVSA-N 0 0 235.331 2.218 10 0 BEAERN CC[C@H](O)c1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000054723590 171580767 /nfs/dbraw/zinc/58/07/67/171580767.db2.gz FGQCNDLNPQSBOZ-RYUDHWBXSA-N 0 0 238.331 2.122 10 0 BEAERN CC[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000036170425 171614795 /nfs/dbraw/zinc/61/47/95/171614795.db2.gz RUXGYDHJZCHAHK-NSHDSACASA-N 0 0 235.331 2.289 10 0 BEAERN Nc1cccnc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000132750926 412248886 /nfs/dbraw/zinc/24/88/86/412248886.db2.gz MDZGIZQMUVVAMK-JQWIXIFHSA-N 0 0 245.326 2.069 10 0 BEAERN CC1(C)CCC[C@@H](NC(=O)c2ncccc2N)C1 ZINC000132824467 412309570 /nfs/dbraw/zinc/30/95/70/412309570.db2.gz GDQPMUQDQYXFMA-SNVBAGLBSA-N 0 0 247.342 2.362 10 0 BEAERN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ncccc1N ZINC000132858033 412328192 /nfs/dbraw/zinc/32/81/92/412328192.db2.gz ZDLHJSUFKNMBDZ-NXEZZACHSA-N 0 0 233.315 2.067 10 0 BEAERN CC[C@]1(C)SCC[C@@H]2CCCN2C1=O ZINC000039101705 171723645 /nfs/dbraw/zinc/72/36/45/171723645.db2.gz GGNLYDGKZKRGPC-ONGXEEELSA-N 0 0 213.346 2.283 10 0 BEAERN CCc1c(N)onc1CCc1ccco1 ZINC000036916518 171742387 /nfs/dbraw/zinc/74/23/87/171742387.db2.gz LOOIKBPDWCOZLY-UHFFFAOYSA-N 0 0 206.245 2.197 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@@H](CC)COC)o1 ZINC000127107139 171756570 /nfs/dbraw/zinc/75/65/70/171756570.db2.gz TXFSXMGVVVWTHG-JTQLQIEISA-N 0 0 239.315 2.305 10 0 BEAERN CCc1ccc(-c2ccc(N)nn2)s1 ZINC000050867822 171778652 /nfs/dbraw/zinc/77/86/52/171778652.db2.gz VSZXWIWNPOHAFW-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN CCc1ccc(-n2c(=O)[nH]c3cccnc32)cc1 ZINC000169316510 171781451 /nfs/dbraw/zinc/78/14/51/171781451.db2.gz XSTJSTFDTUYOEH-UHFFFAOYSA-N 0 0 239.278 2.276 10 0 BEAERN CCCc1nccnc1NCc1nccn1CC ZINC000663259175 412402193 /nfs/dbraw/zinc/40/21/93/412402193.db2.gz QUTJRYSRBBUOGQ-UHFFFAOYSA-N 0 0 245.330 2.258 10 0 BEAERN CCCc1nccnc1NCc1ccccn1 ZINC000663258916 412402632 /nfs/dbraw/zinc/40/26/32/412402632.db2.gz MNARVXRUTMDERO-UHFFFAOYSA-N 0 0 228.299 2.436 10 0 BEAERN CCc1ccc(NC(=O)C(F)(F)F)cc1N ZINC000020344898 171817362 /nfs/dbraw/zinc/81/73/62/171817362.db2.gz ALVCJWIHXMNFGS-UHFFFAOYSA-N 0 0 232.205 2.332 10 0 BEAERN CCc1ccc(OCC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000171072916 171826988 /nfs/dbraw/zinc/82/69/88/171826988.db2.gz GCYXYECDXWCHJV-GXFFZTMASA-N 0 0 233.311 2.152 10 0 BEAERN CCc1cccc(NC(=O)[C@H](C)COC)c1 ZINC000103357660 171861479 /nfs/dbraw/zinc/86/14/79/171861479.db2.gz MVATUYGTVWAFEP-SNVBAGLBSA-N 0 0 221.300 2.470 10 0 BEAERN CCc1cccc(OCC2N=NC(=S)N2C)c1 ZINC000064871931 171866174 /nfs/dbraw/zinc/86/61/74/171866174.db2.gz QYULFLPNTYUMJR-UHFFFAOYSA-N 0 0 249.339 2.245 10 0 BEAERN CCc1ccccc1-c1nc(N)cc(COC)n1 ZINC000052202367 171870076 /nfs/dbraw/zinc/87/00/76/171870076.db2.gz KYGJNMAURFFQGH-UHFFFAOYSA-N 0 0 243.310 2.435 10 0 BEAERN CCc1ccccc1NC(=O)c1ccc(=O)oc1 ZINC000000335348 171888627 /nfs/dbraw/zinc/88/86/27/171888627.db2.gz NRDDILLOCDYPHX-UHFFFAOYSA-N 0 0 243.262 2.455 10 0 BEAERN CCc1ccccc1[C@H](O)C[C@@H](C)C(=O)OC ZINC000052201769 171892416 /nfs/dbraw/zinc/89/24/16/171892416.db2.gz IXFPHUDFGXSGEE-ZWNOBZJWSA-N 0 0 236.311 2.482 10 0 BEAERN CCc1ccccc1[C@@H](CO)NCC(F)(F)F ZINC000052204940 171892875 /nfs/dbraw/zinc/89/28/75/171892875.db2.gz SAXLGSBUKHKLBD-LLVKDONJSA-N 0 0 247.260 2.434 10 0 BEAERN CCc1nc([C@H](N)c2ccc(SC)cc2)no1 ZINC000036762912 172007686 /nfs/dbraw/zinc/00/76/86/172007686.db2.gz AERMFLBVJFEDHS-LLVKDONJSA-N 0 0 249.339 2.402 10 0 BEAERN CCc1nc2ccccc2n1[C@@H](C)C(=O)OC ZINC000006024749 172013812 /nfs/dbraw/zinc/01/38/12/172013812.db2.gz OEFNMGDHCQNSJS-VIFPVBQESA-N 0 0 232.283 2.333 10 0 BEAERN CCc1nccn1CCOc1ccccc1N ZINC000042419590 172025436 /nfs/dbraw/zinc/02/54/36/172025436.db2.gz IEQUWKGWSNAZRV-UHFFFAOYSA-N 0 0 231.299 2.107 10 0 BEAERN CCc1nn(C)c(N)c1-c1ccccc1F ZINC000026511750 172039482 /nfs/dbraw/zinc/03/94/82/172039482.db2.gz OPEIMYBDNVJKSR-UHFFFAOYSA-N 0 0 219.263 2.371 10 0 BEAERN CCc1nnc(-c2cc(N)c(C)s2)o1 ZINC000049452760 172045113 /nfs/dbraw/zinc/04/51/13/172045113.db2.gz JFZCHQRBNYDXOE-UHFFFAOYSA-N 0 0 209.274 2.251 10 0 BEAERN CCc1nnc(-c2cccc(N)c2C)o1 ZINC000036335837 172045767 /nfs/dbraw/zinc/04/57/67/172045767.db2.gz XYUHFUJFVVIPHY-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nnc(CN[C@@H](C)c2ccccc2)n1C ZINC000120700890 172053903 /nfs/dbraw/zinc/05/39/03/172053903.db2.gz ZXVKSSZJDJMVHY-NSHDSACASA-N 0 0 244.342 2.228 10 0 BEAERN CCC1N=NC(=S)N1Cc1cccc(OC)c1 ZINC000038077998 172062880 /nfs/dbraw/zinc/06/28/80/172062880.db2.gz SJAPJBHHEOQOIT-UHFFFAOYSA-N 0 0 249.339 2.186 10 0 BEAERN CCc1noc(-c2ccc(F)cc2N)n1 ZINC000021516917 172073031 /nfs/dbraw/zinc/07/30/31/172073031.db2.gz HEISTXQTCSOUOY-UHFFFAOYSA-N 0 0 207.208 2.020 10 0 BEAERN CCc1noc(C)c1NC(=O)CC(F)(F)F ZINC000132613487 172082594 /nfs/dbraw/zinc/08/25/94/172082594.db2.gz PPOJKAKHFGIJQG-UHFFFAOYSA-N 0 0 236.193 2.436 10 0 BEAERN CCc1noc(COc2cccc(O)c2C)n1 ZINC000036896565 172085002 /nfs/dbraw/zinc/08/50/02/172085002.db2.gz WRTSTXUPTGCPBX-UHFFFAOYSA-N 0 0 234.255 2.225 10 0 BEAERN CCc1nsc(NC(C)(C)CF)n1 ZINC000306501143 172105071 /nfs/dbraw/zinc/10/50/71/172105071.db2.gz QYPOYENKVWDXOH-UHFFFAOYSA-N 0 0 203.286 2.261 10 0 BEAERN CCc1sc2nc(C=O)c(C)n2c1C ZINC000074536380 172129180 /nfs/dbraw/zinc/12/91/80/172129180.db2.gz CXWMRIWSQGVFSE-UHFFFAOYSA-N 0 0 208.286 2.388 10 0 BEAERN CCn1c2ccc(F)cc2nc1-c1c[nH]nc1N ZINC000037439400 172130620 /nfs/dbraw/zinc/13/06/20/172130620.db2.gz ZKGNYFSZLAPJBW-UHFFFAOYSA-N 0 0 245.261 2.168 10 0 BEAERN CCn1c(C)ncc1-c1cccc(N)c1 ZINC000039100718 172131299 /nfs/dbraw/zinc/13/12/99/172131299.db2.gz KCJJRLQMEDRCQZ-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1c(=O)oc2ccccc2c1=S ZINC000001757637 172133441 /nfs/dbraw/zinc/13/34/41/172133441.db2.gz UJQVBUYKNTYXSG-UHFFFAOYSA-N 0 0 207.254 2.344 10 0 BEAERN CCn1c(C)c(C(=O)[O-])c(=[NH2+])c2ccccc21 ZINC000090450882 172134413 /nfs/dbraw/zinc/13/44/13/172134413.db2.gz LQNFZVFCNSXIJJ-UHFFFAOYSA-N 0 0 230.267 2.147 10 0 BEAERN CCn1c(C(C)(C)C)n[n-]c1=[NH+]C(C)(C)C ZINC000336776156 172134902 /nfs/dbraw/zinc/13/49/02/172134902.db2.gz DXHAUMVLBHPDPG-UHFFFAOYSA-N 0 0 224.352 2.228 10 0 BEAERN CCn1c(C)c(N)c(=O)n1C1CCCCC1 ZINC000040933286 172134913 /nfs/dbraw/zinc/13/49/13/172134913.db2.gz GNMCZSHJLUUHHV-UHFFFAOYSA-N 0 0 223.320 2.066 10 0 BEAERN CCn1c(C)nnc1CN1Cc2ccccc2C1 ZINC000171573276 172138893 /nfs/dbraw/zinc/13/88/93/172138893.db2.gz GYNFAOBUOOKZRK-UHFFFAOYSA-N 0 0 242.326 2.122 10 0 BEAERN CCn1cc(CN2Cc3cccc(N)c3C2)cn1 ZINC000050540459 172167709 /nfs/dbraw/zinc/16/77/09/172167709.db2.gz PPGWLZSESWBGJZ-UHFFFAOYSA-N 0 0 242.326 2.001 10 0 BEAERN CCn1cc(C[NH2+]CCC(=O)[O-])c2ccccc21 ZINC000041689215 172170306 /nfs/dbraw/zinc/17/03/06/172170306.db2.gz PUVBGSNDJKKVDW-UHFFFAOYSA-N 0 0 246.310 2.226 10 0 BEAERN CCn1cc(CN[C@@H]2COc3ccccc32)cn1 ZINC000070079778 172174482 /nfs/dbraw/zinc/17/44/82/172174482.db2.gz LUHMSCSWCUNGNP-CYBMUJFWSA-N 0 0 243.310 2.126 10 0 BEAERN CCn1cc(CN[C@H]2COc3ccccc32)cn1 ZINC000070079779 172176149 /nfs/dbraw/zinc/17/61/49/172176149.db2.gz LUHMSCSWCUNGNP-ZDUSSCGKSA-N 0 0 243.310 2.126 10 0 BEAERN CCn1cc(C[C@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000050543734 172176856 /nfs/dbraw/zinc/17/68/56/172176856.db2.gz NUQKKONVJUFFIB-DZGCQCFKSA-N 0 0 242.322 2.351 10 0 BEAERN CCn1cc(NC(=O)c2ccc(NC)cc2)cn1 ZINC000050753354 172183912 /nfs/dbraw/zinc/18/39/12/172183912.db2.gz UEPCZUZKKSNBSE-UHFFFAOYSA-N 0 0 244.298 2.197 10 0 BEAERN CCn1cc(NCc2ccc3c(c2)OCO3)cn1 ZINC000020350417 172185313 /nfs/dbraw/zinc/18/53/13/172185313.db2.gz PUWTXLUUJWFGIK-UHFFFAOYSA-N 0 0 245.282 2.244 10 0 BEAERN CCn1cc(NCc2ccc(O)cc2)ccc1=O ZINC000037773934 172185462 /nfs/dbraw/zinc/18/54/62/172185462.db2.gz CTJCLDQKPKQZNV-UHFFFAOYSA-N 0 0 244.294 2.186 10 0 BEAERN CCn1cc(N[C@@H]2COc3cc(O)ccc32)cn1 ZINC000035780356 172186824 /nfs/dbraw/zinc/18/68/24/172186824.db2.gz KWXSPEPZEDEIGF-GFCCVEGCSA-N 0 0 245.282 2.154 10 0 BEAERN CCn1cc(Nc2ccc(C(N)=S)cc2)cn1 ZINC000035781766 172188012 /nfs/dbraw/zinc/18/80/12/172188012.db2.gz QEMUFHWJWUQENI-UHFFFAOYSA-N 0 0 246.339 2.281 10 0 BEAERN CCn1cc(N[C@H](C)C2CC2)ccc1=O ZINC000037773652 172188259 /nfs/dbraw/zinc/18/82/59/172188259.db2.gz JSHBQIASIJPKLG-SECBINFHSA-N 0 0 206.289 2.079 10 0 BEAERN CCn1ccc(=NC(C)=O)c2ccccc21 ZINC000255978565 172200136 /nfs/dbraw/zinc/20/01/36/172200136.db2.gz IGQZIVQDPUVKHS-UHFFFAOYSA-N 0 0 214.268 2.108 10 0 BEAERN CCn1cccc1C(=O)Nc1ccccc1CO ZINC000049363244 172203569 /nfs/dbraw/zinc/20/35/69/172203569.db2.gz VSHIXVQMIYNSMS-UHFFFAOYSA-N 0 0 244.294 2.253 10 0 BEAERN CCn1ccnc(N[C@@H](C)c2ccco2)c1=O ZINC000061763111 172211747 /nfs/dbraw/zinc/21/17/47/172211747.db2.gz AFGJXBIXBMOACF-VIFPVBQESA-N 0 0 233.271 2.029 10 0 BEAERN CCn1ccnc1CNc1ccc(O)cc1 ZINC000051923187 172224328 /nfs/dbraw/zinc/22/43/28/172224328.db2.gz PDCROUCQPTXFLQ-UHFFFAOYSA-N 0 0 217.272 2.221 10 0 BEAERN CCn1ccnc1Oc1ccc(N)c(F)c1 ZINC000050614346 172227751 /nfs/dbraw/zinc/22/77/51/172227751.db2.gz JEFKRTJSBMOEBX-UHFFFAOYSA-N 0 0 221.235 2.417 10 0 BEAERN CCn1ccnc1Sc1ccncc1N ZINC000050614508 172228374 /nfs/dbraw/zinc/22/83/74/172228374.db2.gz PTBTVMGBNVFVEV-UHFFFAOYSA-N 0 0 220.301 2.031 10 0 BEAERN CCn1ccnc1[C@@H](N)c1sccc1C ZINC000041048465 172228776 /nfs/dbraw/zinc/22/87/76/172228776.db2.gz FTOVUDZWZZPILZ-VIFPVBQESA-N 0 0 221.329 2.321 10 0 BEAERN CCn1ccnc1[C@@H](N)c1ccc(C)s1 ZINC000041048463 172228973 /nfs/dbraw/zinc/22/89/73/172228973.db2.gz PNPIFUCGBUHBFK-JTQLQIEISA-N 0 0 221.329 2.321 10 0 BEAERN CCn1ccnc1[C@H](N)c1cc(C)oc1C ZINC000041048458 172229718 /nfs/dbraw/zinc/22/97/18/172229718.db2.gz COMYPBKDNISOFO-LLVKDONJSA-N 0 0 219.288 2.161 10 0 BEAERN CCn1ccnc1[C@H](NC)c1ccoc1C ZINC000041048685 172230947 /nfs/dbraw/zinc/23/09/47/172230947.db2.gz YYRPHTXGQULCPL-LLVKDONJSA-N 0 0 219.288 2.113 10 0 BEAERN CCn1cnnc1-c1c(C)c(C)sc1N ZINC000104924210 172233968 /nfs/dbraw/zinc/23/39/68/172233968.db2.gz TZODLTSPJRXZEE-UHFFFAOYSA-N 0 0 222.317 2.226 10 0 BEAERN CCn1cnnc1CCNc1ccc(C)cc1 ZINC000054497805 172234927 /nfs/dbraw/zinc/23/49/27/172234927.db2.gz MXKYMODRYZSMPT-UHFFFAOYSA-N 0 0 230.315 2.261 10 0 BEAERN CCn1nc(C(=O)c2ccccc2)c(N)c1C ZINC000039102836 172241120 /nfs/dbraw/zinc/24/11/20/172241120.db2.gz MQBZPFSTZCEQQD-UHFFFAOYSA-N 0 0 229.283 2.025 10 0 BEAERN CCn1nc(C)c(-c2csc(N)n2)c1C ZINC000015936732 172242481 /nfs/dbraw/zinc/24/24/81/172242481.db2.gz GJRAUBFNNTUXQC-UHFFFAOYSA-N 0 0 222.317 2.226 10 0 BEAERN CCn1nc(C)c(C(=O)N[C@@H]2C[C@@H]2C)c1Cl ZINC000173477857 172243794 /nfs/dbraw/zinc/24/37/94/172243794.db2.gz VRIWGWPFRHGSOK-POYBYMJQSA-N 0 0 241.722 2.003 10 0 BEAERN CN(C(=O)C1CCCC1)c1ccccc1N ZINC000050014580 172299099 /nfs/dbraw/zinc/29/90/99/172299099.db2.gz CMSCOKZNMNRWAD-UHFFFAOYSA-N 0 0 218.300 2.422 10 0 BEAERN CN(C(=O)C1CCCCC1)[C@H]1CCCC[C@@H]1O ZINC000001765724 172299388 /nfs/dbraw/zinc/29/93/88/172299388.db2.gz RLLKSOVSLFBSQK-STQMWFEESA-N 0 0 239.359 2.329 10 0 BEAERN CN(C(=O)CNc1ccc2c(c1)CCC2)C1CC1 ZINC000049304495 172311774 /nfs/dbraw/zinc/31/17/74/172311774.db2.gz ZHQAJLPAEHKATG-UHFFFAOYSA-N 0 0 244.338 2.208 10 0 BEAERN CN(C)C(=O)CCNc1ccc(Cl)cc1F ZINC000042589783 172361221 /nfs/dbraw/zinc/36/12/21/172361221.db2.gz LGOFVIHYPYJHIV-UHFFFAOYSA-N 0 0 244.697 2.369 10 0 BEAERN CN(C)C(=O)CCNc1cccc(Cl)c1F ZINC000037897885 172361549 /nfs/dbraw/zinc/36/15/49/172361549.db2.gz IZNLXFFUDRLMIL-UHFFFAOYSA-N 0 0 244.697 2.369 10 0 BEAERN CN(C)C(=O)Sc1cccc(C=O)c1 ZINC000095347675 172383622 /nfs/dbraw/zinc/38/36/22/172383622.db2.gz GPYGYQYUCJSPOI-UHFFFAOYSA-N 0 0 209.270 2.273 10 0 BEAERN CN(CC1CC(O)C1)C(=O)[C@H]1CCCC1(C)C ZINC000226322492 172645273 /nfs/dbraw/zinc/64/52/73/172645273.db2.gz ZUWAPIOXRWAWNP-HTAVTVPLSA-N 0 0 239.359 2.042 10 0 BEAERN CN(CCO)c1ccc(Cl)c(Cl)c1 ZINC000049817598 172762072 /nfs/dbraw/zinc/76/20/72/172762072.db2.gz UFYKOLBYQRLFJC-UHFFFAOYSA-N 0 0 220.099 2.422 10 0 BEAERN CN(Cc1cccc(N)c1)C(=O)NC(C)(C)C ZINC000035359898 172864497 /nfs/dbraw/zinc/86/44/97/172864497.db2.gz XHKURJWDOHQFBH-UHFFFAOYSA-N 0 0 235.331 2.209 10 0 BEAERN CN(Cc1ccccc1)c1ccc(NN)cn1 ZINC000036221545 172874191 /nfs/dbraw/zinc/87/41/91/172874191.db2.gz IXRVNHVGGXAIIO-UHFFFAOYSA-N 0 0 228.299 2.004 10 0 BEAERN CN(Cc1ccccn1)c1cccc(N)c1 ZINC000036777497 172881894 /nfs/dbraw/zinc/88/18/94/172881894.db2.gz DHYNJVSUHIXHAJ-UHFFFAOYSA-N 0 0 213.284 2.300 10 0 BEAERN CN(c1c(F)cc(N)cc1F)[C@H]1CCSC1 ZINC000038040068 172945621 /nfs/dbraw/zinc/94/56/21/172945621.db2.gz SPXGUIYXEJLJIX-QMMMGPOBSA-N 0 0 244.310 2.489 10 0 BEAERN CN(c1ccc(N)cc1F)[C@H]1CCSC1 ZINC000037174395 172947335 /nfs/dbraw/zinc/94/73/35/172947335.db2.gz IZYATTQHWIEBGP-VIFPVBQESA-N 0 0 226.320 2.350 10 0 BEAERN CN(c1cccc(CO)n1)c1ccccc1F ZINC000051042459 172948902 /nfs/dbraw/zinc/94/89/02/172948902.db2.gz OGENTVMBLUJRTP-UHFFFAOYSA-N 0 0 232.258 2.481 10 0 BEAERN CN(c1ccccc1)c1cc(C(N)=S)ccn1 ZINC000019518501 172950006 /nfs/dbraw/zinc/95/00/06/172950006.db2.gz HGCJHSFTJLAIIE-UHFFFAOYSA-N 0 0 243.335 2.484 10 0 BEAERN CN1CCO[C@H]1c1ccc(Br)cc1 ZINC000049830863 173108791 /nfs/dbraw/zinc/10/87/91/173108791.db2.gz DNZUJZGVBGCUCN-JTQLQIEISA-N 0 0 242.116 2.410 10 0 BEAERN CN1CCO[C@H](c2cccc3[nH]ccc32)C1 ZINC000039407473 173108978 /nfs/dbraw/zinc/10/89/78/173108978.db2.gz RDGILZNSARRJLX-ZDUSSCGKSA-N 0 0 216.284 2.171 10 0 BEAERN CN1CCc2cc(Br)sc2C1 ZINC000039123411 173170778 /nfs/dbraw/zinc/17/07/78/173170778.db2.gz FQQVTXCIAWWSLE-UHFFFAOYSA-N 0 0 232.146 2.499 10 0 BEAERN CNC(=O)N1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000027522207 173285546 /nfs/dbraw/zinc/28/55/46/173285546.db2.gz FBYMZDIJDZIZJV-SNVBAGLBSA-N 0 0 240.690 2.010 10 0 BEAERN CNC(=O)Oc1cccc2scnc21 ZINC000045238009 173293521 /nfs/dbraw/zinc/29/35/21/173293521.db2.gz YSTAAMZYDLWSJX-UHFFFAOYSA-N 0 0 208.242 2.015 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cccc(Cl)c1C ZINC000008244439 173295844 /nfs/dbraw/zinc/29/58/44/173295844.db2.gz KOUVUWNGEULJGY-MRVPVSSYSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@@H](C)Sc1ccc(N)cc1Cl ZINC000037204939 173295901 /nfs/dbraw/zinc/29/59/01/173295901.db2.gz NBUMLJVLSKMNQX-ZCFIWIBFSA-N 0 0 244.747 2.149 10 0 BEAERN CNC(=O)[C@H](C)Sc1ccc(N)cc1Cl ZINC000037204938 173304474 /nfs/dbraw/zinc/30/44/74/173304474.db2.gz NBUMLJVLSKMNQX-LURJTMIESA-N 0 0 244.747 2.149 10 0 BEAERN CNC(=O)c1c(N)sc2c1CCCCCC2 ZINC000104858700 173309044 /nfs/dbraw/zinc/30/90/44/173309044.db2.gz KYWUDMLYEVLBNR-UHFFFAOYSA-N 0 0 238.356 2.349 10 0 BEAERN CNC(=O)c1cc(N[C@H]2CCC[C@@H](C)C2)ccn1 ZINC000035673698 173309825 /nfs/dbraw/zinc/30/98/25/173309825.db2.gz WWRPUCRMPONHDZ-MNOVXSKESA-N 0 0 247.342 2.432 10 0 BEAERN CNC(=O)c1nc(-c2cccc(F)c2)oc1C ZINC000095936237 173313948 /nfs/dbraw/zinc/31/39/48/173313948.db2.gz HOFLVAQRRQXIEV-UHFFFAOYSA-N 0 0 234.230 2.149 10 0 BEAERN CNC(C)(C)C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000061172125 173319221 /nfs/dbraw/zinc/31/92/21/173319221.db2.gz WMWFMPFAMFQQKO-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN CNC(C)(C)C(=O)O[C@@H]1CCCC[C@H]1C ZINC000061171914 173319733 /nfs/dbraw/zinc/31/97/33/173319733.db2.gz BQKAJEVCHCXMHG-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN CNCc1noc(-c2ccc(C)cc2C)n1 ZINC000051848651 173398282 /nfs/dbraw/zinc/39/82/82/173398282.db2.gz PCOZGLQTHDXTQX-UHFFFAOYSA-N 0 0 217.272 2.073 10 0 BEAERN CNCc1noc(-c2cc(Cl)ccc2F)n1 ZINC000051848560 173398863 /nfs/dbraw/zinc/39/88/63/173398863.db2.gz RNINCKXMXWWGPD-UHFFFAOYSA-N 0 0 241.653 2.249 10 0 BEAERN CNCc1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000092234109 173399549 /nfs/dbraw/zinc/39/95/49/173399549.db2.gz BIRGDKUKYRONAB-JTQLQIEISA-N 0 0 247.323 2.179 10 0 BEAERN C[NH2+][C@@](C)(C(=O)[O-])c1c(C)cc(C)cc1C ZINC000037180502 173440588 /nfs/dbraw/zinc/44/05/88/173440588.db2.gz WXYLHIAMYAMMIO-CYBMUJFWSA-N 0 0 221.300 2.131 10 0 BEAERN CNc1cc(-c2c(F)cccc2F)[nH]n1 ZINC000062667589 173472062 /nfs/dbraw/zinc/47/20/62/173472062.db2.gz NITKVTCYYKNMOM-UHFFFAOYSA-N 0 0 209.199 2.397 10 0 BEAERN CNc1ccc(OC2CC2)c(Br)n1 ZINC000095730239 173479671 /nfs/dbraw/zinc/47/96/71/173479671.db2.gz XZTPUEAHGUUANN-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN CNc1cccc(N(C)C)c1OC1CC1 ZINC000095729911 173482170 /nfs/dbraw/zinc/48/21/70/173482170.db2.gz QZRWLDYWJZZEHO-UHFFFAOYSA-N 0 0 206.289 2.336 10 0 BEAERN CNc1ncccc1C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000050750003 173488665 /nfs/dbraw/zinc/48/86/65/173488665.db2.gz UJDIZONRFYEDPF-GHMZBOCLSA-N 0 0 247.342 2.432 10 0 BEAERN COC(=O)[C@@](C)(NC1CCCC1)c1cccnc1 ZINC000037969974 173755000 /nfs/dbraw/zinc/75/50/00/173755000.db2.gz VATKXHHJNDWBQC-AWEZNQCLSA-N 0 0 248.326 2.002 10 0 BEAERN COC(=O)[C@H](C)NC[C@@H]1CCCc2ccccc21 ZINC000104323520 173785618 /nfs/dbraw/zinc/78/56/18/173785618.db2.gz SKCIRDFWKSZHLI-AAEUAGOBSA-N 0 0 247.338 2.258 10 0 BEAERN COC(=O)[C@H](C)Nc1c(C)csc1C ZINC000039614294 173787804 /nfs/dbraw/zinc/78/78/04/173787804.db2.gz QZXKHXANPYSFPE-ZETCQYMHSA-N 0 0 213.302 2.338 10 0 BEAERN COC(=O)c1cc(-c2ncccc2O)ccc1F ZINC000065339512 173848324 /nfs/dbraw/zinc/84/83/24/173848324.db2.gz QQFBQVGBZLZEAF-UHFFFAOYSA-N 0 0 247.225 2.380 10 0 BEAERN COC(=O)c1cc(F)ccc1-c1ncccn1 ZINC000098178379 173859285 /nfs/dbraw/zinc/85/92/85/173859285.db2.gz FCIVFGJJCBYNFY-UHFFFAOYSA-N 0 0 232.214 2.069 10 0 BEAERN COC(=O)c1nc2cnc(Cl)cc2s1 ZINC000089229226 173916201 /nfs/dbraw/zinc/91/62/01/173916201.db2.gz ULIITBVQPIVXQK-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN COC(=O)c1sc(C=O)cc1C(C)C ZINC000091692265 173921999 /nfs/dbraw/zinc/92/19/99/173921999.db2.gz WXALGXSLFIJBLB-UHFFFAOYSA-N 0 0 212.270 2.471 10 0 BEAERN COCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123431300 174055340 /nfs/dbraw/zinc/05/53/40/174055340.db2.gz CMOCPDCWPKVBID-CQSZACIVSA-N 0 0 247.338 2.463 10 0 BEAERN COCCCC(=O)N(C)Cc1ccc(F)cc1 ZINC000042277528 174160862 /nfs/dbraw/zinc/16/08/62/174160862.db2.gz WVLPPXYVOKRQGN-UHFFFAOYSA-N 0 0 239.290 2.211 10 0 BEAERN COCCCC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110451512 174165375 /nfs/dbraw/zinc/16/53/75/174165375.db2.gz VEAZEFYWTSUIKN-KGLIPLIRSA-N 0 0 247.338 2.333 10 0 BEAERN COCCCC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110451502 174165954 /nfs/dbraw/zinc/16/59/54/174165954.db2.gz VEAZEFYWTSUIKN-UONOGXRCSA-N 0 0 247.338 2.333 10 0 BEAERN COCCCCCS[C@@H]1CCCCNC1=O ZINC000116911308 174185682 /nfs/dbraw/zinc/18/56/82/174185682.db2.gz ZLVJNLLDQYNHNA-LLVKDONJSA-N 0 0 245.388 2.205 10 0 BEAERN COCCCCc1nnnn1C1CCCCC1 ZINC000261508506 174208390 /nfs/dbraw/zinc/20/83/90/174208390.db2.gz UBDFARFWDVWXNC-UHFFFAOYSA-N 0 0 238.335 2.147 10 0 BEAERN COCCCN(C)C(=O)Cc1ccc(C)s1 ZINC000125514751 174211436 /nfs/dbraw/zinc/21/14/36/174211436.db2.gz NNWKOTVFLVCGQV-UHFFFAOYSA-N 0 0 241.356 2.094 10 0 BEAERN COCCCn1ccc2ccc(N)cc21 ZINC000037753809 174266132 /nfs/dbraw/zinc/26/61/32/174266132.db2.gz LZGSSLQEGNXARU-UHFFFAOYSA-N 0 0 204.273 2.260 10 0 BEAERN COCCCn1c2ccccc2nc1[C@@H](C)O ZINC000040163894 174266622 /nfs/dbraw/zinc/26/66/22/174266622.db2.gz YIUHKPZABKEZOO-SNVBAGLBSA-N 0 0 234.299 2.126 10 0 BEAERN COCCN([C@H](C)C(=O)c1ccccc1)C1CC1 ZINC000042517619 174284824 /nfs/dbraw/zinc/28/48/24/174284824.db2.gz YYMPOOBPQADBFI-GFCCVEGCSA-N 0 0 247.338 2.369 10 0 BEAERN COCCNc1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000062669643 174341296 /nfs/dbraw/zinc/34/12/96/174341296.db2.gz CEYYIXZQSYJCIT-UHFFFAOYSA-N 0 0 247.298 2.144 10 0 BEAERN COCCNc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000053751119 174343119 /nfs/dbraw/zinc/34/31/19/174343119.db2.gz WSDMCXOAWCMUPU-ZJUUUORDSA-N 0 0 239.319 2.422 10 0 BEAERN COCCOc1cccc2c1N[C@H](C)CC2 ZINC000019965374 174369912 /nfs/dbraw/zinc/36/99/12/174369912.db2.gz MLIBSBIPYRTIMQ-SNVBAGLBSA-N 0 0 221.300 2.458 10 0 BEAERN COCCSc1ccc(N)cc1F ZINC000037194400 174376882 /nfs/dbraw/zinc/37/68/82/174376882.db2.gz QLEWTJGOLJDTCQ-UHFFFAOYSA-N 0 0 201.266 2.146 10 0 BEAERN COCC[C@H](N)c1nc2cc(C)ccc2o1 ZINC000052785525 174415737 /nfs/dbraw/zinc/41/57/37/174415737.db2.gz YWCSBNFMDGUTRJ-VIFPVBQESA-N 0 0 220.272 2.173 10 0 BEAERN COC[C@@H](C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000103388179 174435191 /nfs/dbraw/zinc/43/51/91/174435191.db2.gz QFECPFAYDJSZHX-TZMCWYRMSA-N 0 0 247.338 2.285 10 0 BEAERN COC[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000103355762 174435321 /nfs/dbraw/zinc/43/53/21/174435321.db2.gz ICUFEEWFCFWXBD-GHMZBOCLSA-N 0 0 233.311 2.247 10 0 BEAERN COC[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000171509068 174435348 /nfs/dbraw/zinc/43/53/48/174435348.db2.gz GYCAYYWHMDFKRY-NEPJUHHUSA-N 0 0 247.338 2.415 10 0 BEAERN COC[C@H](C)C(=O)N(C)CCCc1ccccc1 ZINC000171450569 174524704 /nfs/dbraw/zinc/52/47/04/174524704.db2.gz GYECRUAYCVYOQC-ZDUSSCGKSA-N 0 0 249.354 2.360 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000103429230 174525704 /nfs/dbraw/zinc/52/57/04/174525704.db2.gz FECSZBPXFHNQQD-WCQYABFASA-N 0 0 248.326 2.028 10 0 BEAERN COCc1cc(N)c2cc(F)cc(F)c2n1 ZINC000051698611 174620142 /nfs/dbraw/zinc/62/01/42/174620142.db2.gz VMVXUEVSEDVMKN-UHFFFAOYSA-N 0 0 224.210 2.242 10 0 BEAERN COCc1ccccc1NC[C@H](C)C(=O)OC ZINC000049508311 174635865 /nfs/dbraw/zinc/63/58/65/174635865.db2.gz UVNMITVLQFXYJU-JTQLQIEISA-N 0 0 237.299 2.054 10 0 BEAERN CONCc1csc(C(C)(C)C)n1 ZINC000083283587 174670218 /nfs/dbraw/zinc/67/02/18/174670218.db2.gz HPVDRMCMGKATST-UHFFFAOYSA-N 0 0 200.307 2.092 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000051850354 174750465 /nfs/dbraw/zinc/75/04/65/174750465.db2.gz YFUVQMQOAAUNBV-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN CO[C@H](C)c1noc(C(C)(Cl)Cl)n1 ZINC000271942588 174854492 /nfs/dbraw/zinc/85/44/92/174854492.db2.gz MIGYHSWNSFCWAK-SCSAIBSYSA-N 0 0 225.075 2.427 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2cncc(C)n2)C1 ZINC000302176584 174880735 /nfs/dbraw/zinc/88/07/35/174880735.db2.gz WNGZKIZWTPXWDG-MNOVXSKESA-N 0 0 221.304 2.155 10 0 BEAERN CO[C@H]1CC[C@H](Nc2cc(C)c(C)nn2)C1 ZINC000302778332 174894598 /nfs/dbraw/zinc/89/45/98/174894598.db2.gz PVCNTQDYILHQKY-QWRGUYRKSA-N 0 0 221.304 2.073 10 0 BEAERN COc1cc(C)c(CC(C)=O)cc1OC ZINC000082594534 174956828 /nfs/dbraw/zinc/95/68/28/174956828.db2.gz XMBXCPLCSDATAP-UHFFFAOYSA-N 0 0 208.257 2.144 10 0 BEAERN COc1cc(NCCC(C)C)nc(C)n1 ZINC000082483698 175001638 /nfs/dbraw/zinc/00/16/38/175001638.db2.gz MEIAIFZANHLJCT-UHFFFAOYSA-N 0 0 209.293 2.252 10 0 BEAERN COc1cc(NCCc2ccncc2)ccc1N ZINC000104253595 175002521 /nfs/dbraw/zinc/00/25/21/175002521.db2.gz LTIOHALBDVHKOS-UHFFFAOYSA-N 0 0 243.310 2.327 10 0 BEAERN COc1cc(OC(C)C)nc2c1NCCC2 ZINC000095908436 175006190 /nfs/dbraw/zinc/00/61/90/175006190.db2.gz KPNQHOVVHZPAQI-UHFFFAOYSA-N 0 0 222.288 2.236 10 0 BEAERN COc1cc(OC)c([C@H](O)C(C)C)c(OC)c1 ZINC000040246535 175007904 /nfs/dbraw/zinc/00/79/04/175007904.db2.gz JJAWACGHTJSMSH-CYBMUJFWSA-N 0 0 240.299 2.402 10 0 BEAERN COc1cc(OC)c2c(c1)C(=O)CCC2 ZINC000019726978 175008442 /nfs/dbraw/zinc/00/84/42/175008442.db2.gz PXDHVVMDKPESHE-UHFFFAOYSA-N 0 0 206.241 2.223 10 0 BEAERN COc1cc(OC)c2c(c1)[C@@H](O)CCCC2 ZINC000019727044 175009006 /nfs/dbraw/zinc/00/90/06/175009006.db2.gz WRJVZKUIMHXCBL-LBPRGKRZSA-N 0 0 222.284 2.464 10 0 BEAERN COc1cc(OC2CC2)cc(SC)n1 ZINC000095728634 175011858 /nfs/dbraw/zinc/01/18/58/175011858.db2.gz MXMVWBHYKDLTLD-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cc(SC)ncc1OC1CC1 ZINC000095730387 175013139 /nfs/dbraw/zinc/01/31/39/175013139.db2.gz KGDYFHUMGORYSP-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cc([C@H](C)Nc2cn[nH]c2)ccc1O ZINC000035763832 175016158 /nfs/dbraw/zinc/01/61/58/175016158.db2.gz DWKUCNVNXQPKNA-QMMMGPOBSA-N 0 0 233.271 2.297 10 0 BEAERN COc1cc([C@H](C)Nc2ccn(C)n2)ccc1O ZINC000037560949 175016175 /nfs/dbraw/zinc/01/61/75/175016175.db2.gz QGTKEFLTVCLQFC-VIFPVBQESA-N 0 0 247.298 2.307 10 0 BEAERN COc1cc([C@H]2CC[C@H]2O)c(OC)cc1C ZINC000095831262 175017079 /nfs/dbraw/zinc/01/70/79/175017079.db2.gz VHPRRUPLZOBGOU-MWLCHTKSSA-N 0 0 222.284 2.251 10 0 BEAERN COc1cc2c(C)cc(=O)oc2cc1C ZINC000034612024 175018525 /nfs/dbraw/zinc/01/85/25/175018525.db2.gz FWLUHVGTADROPX-UHFFFAOYSA-N 0 0 204.225 2.418 10 0 BEAERN COc1cc2c(c(OC)c1)NC[C@@H](C)C2 ZINC000011633226 175020393 /nfs/dbraw/zinc/02/03/93/175020393.db2.gz YQLFHIRTOHIXLX-QMMMGPOBSA-N 0 0 207.273 2.308 10 0 BEAERN COc1cc2c(cc1OC)-c1oncc1CC2 ZINC000001556344 175023874 /nfs/dbraw/zinc/02/38/74/175023874.db2.gz XLJYSINRWKQDGR-UHFFFAOYSA-N 0 0 231.251 2.457 10 0 BEAERN COc1cc2c(cc1OC)[C@H](O)CCCC2 ZINC000019727049 175025591 /nfs/dbraw/zinc/02/55/91/175025591.db2.gz OUYJDHUBCSOCSR-LLVKDONJSA-N 0 0 222.284 2.464 10 0 BEAERN COc1cc2c(cc1OC)[C@H](C)[NH2+][C@@H](C)C2 ZINC000082785500 175025892 /nfs/dbraw/zinc/02/58/92/175025892.db2.gz PWKFIIODJAWALD-IUCAKERBSA-N 0 0 221.300 2.299 10 0 BEAERN COc1ccc(-c2cnc([C@@H](C)N)o2)cc1OC ZINC000011587077 175036535 /nfs/dbraw/zinc/03/65/35/175036535.db2.gz RCMNPIXYISSQGW-MRVPVSSYSA-N 0 0 248.282 2.379 10 0 BEAERN COc1ccc(-c2cnc([C@@H](C)N)o2)cc1 ZINC000011587069 175037327 /nfs/dbraw/zinc/03/73/27/175037327.db2.gz GPUGCQIHCKFXBE-MRVPVSSYSA-N 0 0 218.256 2.370 10 0 BEAERN COc1ccc(-c2[nH]nc(N)c2C)cc1F ZINC000057502182 175037740 /nfs/dbraw/zinc/03/77/40/175037740.db2.gz BOGHQZNAGAALNK-UHFFFAOYSA-N 0 0 221.235 2.115 10 0 BEAERN COc1ccc(-c2cscn2)cc1N ZINC000036226133 175037773 /nfs/dbraw/zinc/03/77/73/175037773.db2.gz WLYYJYXNEFMUOX-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-c2nn(C)c(=S)n2C)cc1 ZINC000028255817 175041771 /nfs/dbraw/zinc/04/17/71/175041771.db2.gz LXDZLMUSBZHNHI-UHFFFAOYSA-N 0 0 235.312 2.164 10 0 BEAERN COc1ccc(-c2noc(N)c2C)c(OC)c1 ZINC000036937289 175043099 /nfs/dbraw/zinc/04/30/99/175043099.db2.gz DIJFTRKKZMDELK-UHFFFAOYSA-N 0 0 234.255 2.249 10 0 BEAERN COc1ccc(-n2ccc(C=O)c2)cc1OC ZINC000082297594 175044092 /nfs/dbraw/zinc/04/40/92/175044092.db2.gz ZEJILEBHJCCVIV-UHFFFAOYSA-N 0 0 231.251 2.307 10 0 BEAERN COc1ccc(-n2c(C)cc(C=O)c2C)cn1 ZINC000019437582 175044237 /nfs/dbraw/zinc/04/42/37/175044237.db2.gz QTLQOEMMEULMSI-UHFFFAOYSA-N 0 0 230.267 2.310 10 0 BEAERN COc1ccc(/C=C/c2ccnc(N)n2)cc1 ZINC000072416862 175048399 /nfs/dbraw/zinc/04/83/99/175048399.db2.gz BOPWUYRQYMBMIR-GORDUTHDSA-N 0 0 227.267 2.238 10 0 BEAERN COc1ccc(C(=O)C(C)(C)C(C)=O)cc1 ZINC000077330118 175052681 /nfs/dbraw/zinc/05/26/81/175052681.db2.gz DFEUKLAQUXACEA-UHFFFAOYSA-N 0 0 220.268 2.493 10 0 BEAERN COc1ccc(C(=O)CCC(C)=O)cc1F ZINC000057516447 175053528 /nfs/dbraw/zinc/05/35/28/175053528.db2.gz TUDSJOGKLANKAG-UHFFFAOYSA-N 0 0 224.231 2.386 10 0 BEAERN COc1ccc(C(OC)OC)cc1F ZINC000039115543 175069877 /nfs/dbraw/zinc/06/98/77/175069877.db2.gz BTIPAFQYWKYWCM-UHFFFAOYSA-N 0 0 200.209 2.126 10 0 BEAERN COc1ccc(C)c2cc(C)c(=NN)[nH]c12 ZINC000011995138 175071632 /nfs/dbraw/zinc/07/16/32/175071632.db2.gz RHRMZXLVRJOHPG-UHFFFAOYSA-N 0 0 217.272 2.146 10 0 BEAERN COc1ccc(C)cc1NCCCCO ZINC000043445350 175078297 /nfs/dbraw/zinc/07/82/97/175078297.db2.gz GAUCCWWTCOFAGV-UHFFFAOYSA-N 0 0 209.289 2.188 10 0 BEAERN COc1ccc(C)cc1N[C@@H]1CCCCNC1=O ZINC000020048951 175078336 /nfs/dbraw/zinc/07/83/36/175078336.db2.gz KFAOFJDZXPPYIX-LLVKDONJSA-N 0 0 248.326 2.084 10 0 BEAERN COc1ccc(CCC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075522281 175088666 /nfs/dbraw/zinc/08/86/66/175088666.db2.gz IMGQEPUDIDTADT-GXFFZTMASA-N 0 0 233.311 2.152 10 0 BEAERN COc1ccc(CS[C@@H](C)CO)cc1 ZINC000038867250 175115075 /nfs/dbraw/zinc/11/50/75/175115075.db2.gz MALAFKVSZBZZKI-VIFPVBQESA-N 0 0 212.314 2.309 10 0 BEAERN COc1ccc(C[C@@H](C)[C@H](C)O)cc1OC ZINC000041244482 175115545 /nfs/dbraw/zinc/11/55/45/175115545.db2.gz DCAPBNXXOFNBEG-ZJUUUORDSA-N 0 0 224.300 2.263 10 0 BEAERN COc1ccc(C[C@H](C)[C@H](C)O)cc1OC ZINC000041244479 175117139 /nfs/dbraw/zinc/11/71/39/175117139.db2.gz DCAPBNXXOFNBEG-UWVGGRQHSA-N 0 0 224.300 2.263 10 0 BEAERN COc1ccc(C[C@H](C)[C@@H](C)O)cc1F ZINC000041226259 175117408 /nfs/dbraw/zinc/11/74/08/175117408.db2.gz KQKPDDWAVWYDSZ-DTWKUNHWSA-N 0 0 212.264 2.394 10 0 BEAERN COc1ccc(C[S@](=O)C(C)(C)C)cc1N ZINC000040966508 175117931 /nfs/dbraw/zinc/11/79/31/175117931.db2.gz VCXDBXLHJBUFHQ-MRXNPFEDSA-N 0 0 241.356 2.325 10 0 BEAERN COc1ccc(Cl)cc1-c1nccc(N)n1 ZINC000071546826 175120031 /nfs/dbraw/zinc/12/00/31/175120031.db2.gz XLFZIWBCHNWUAR-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN COc1ccc(Cl)cc1CC(N)=S ZINC000036867456 175120877 /nfs/dbraw/zinc/12/08/77/175120877.db2.gz ZLEMZIDNSNOSIZ-UHFFFAOYSA-N 0 0 215.705 2.177 10 0 BEAERN COc1ccc(F)c(NCc2cnn(C)c2C)c1 ZINC000094855317 175126305 /nfs/dbraw/zinc/12/63/05/175126305.db2.gz HYJNPTCUEMIVON-UHFFFAOYSA-N 0 0 249.289 2.488 10 0 BEAERN COc1ccc(F)cc1[C@@H](O)[C@H]1CCCOC1 ZINC000062239684 175133846 /nfs/dbraw/zinc/13/38/46/175133846.db2.gz GBUFBXWJGQYTNG-ZANVPECISA-N 0 0 240.274 2.294 10 0 BEAERN COc1ccc(N)c(C(=O)N2CCCC[C@@H]2C)c1 ZINC000037846646 175136969 /nfs/dbraw/zinc/13/69/69/175136969.db2.gz KGFNDOGZPBTQCA-JTQLQIEISA-N 0 0 248.326 2.292 10 0 BEAERN COc1ccc(N2Cc3ccc(N)cc3C2)cn1 ZINC000036683436 175140097 /nfs/dbraw/zinc/14/00/97/175140097.db2.gz GSORETUWMNDMHC-UHFFFAOYSA-N 0 0 241.294 2.193 10 0 BEAERN COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000121762504 175145796 /nfs/dbraw/zinc/14/57/96/175145796.db2.gz GLMGDJKCOVHHTK-SKDRFNHKSA-N 0 0 235.283 2.201 10 0 BEAERN COc1ccc(NC(=O)c2ccc(O)cc2)cn1 ZINC000019836837 175147900 /nfs/dbraw/zinc/14/79/00/175147900.db2.gz IECGWFYLXBVACG-UHFFFAOYSA-N 0 0 244.250 2.048 10 0 BEAERN COc1ccc(NCCn2cccn2)cc1C ZINC000049530010 175150918 /nfs/dbraw/zinc/15/09/18/175150918.db2.gz CJGWMCDSRLKRCI-UHFFFAOYSA-N 0 0 231.299 2.312 10 0 BEAERN COc1ccc(NCc2[nH]cnc2C)cc1 ZINC000054793934 175152048 /nfs/dbraw/zinc/15/20/48/175152048.db2.gz OLKTZKPSKFUZCF-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccc(NCc2ccccn2)cc1O ZINC000037134673 175152470 /nfs/dbraw/zinc/15/24/70/175152470.db2.gz PBNODMIKMJVJSA-UHFFFAOYSA-N 0 0 230.267 2.408 10 0 BEAERN COc1ccc(NCc2nccn2C)cc1C ZINC000049530173 175153149 /nfs/dbraw/zinc/15/31/49/175153149.db2.gz YQVYUMQCHZYNBM-UHFFFAOYSA-N 0 0 231.299 2.349 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@@H]2O)cc1 ZINC000037689970 175153974 /nfs/dbraw/zinc/15/39/74/175153974.db2.gz WNMKUSDJPFVKRD-NEPJUHHUSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccc(N[C@H](C)C(=O)NC2CC2)cc1C ZINC000049530153 175154755 /nfs/dbraw/zinc/15/47/55/175154755.db2.gz KUFKGHRPOTWLOS-SNVBAGLBSA-N 0 0 248.326 2.083 10 0 BEAERN COc1ccc(N[C@H]2CCSC2)cc1O ZINC000037134585 175155633 /nfs/dbraw/zinc/15/56/33/175155633.db2.gz NPDDWOOJRSHEGC-VIFPVBQESA-N 0 0 225.313 2.318 10 0 BEAERN COc1ccc(OC)c(CNc2cn[nH]c2)c1 ZINC000035763767 175166372 /nfs/dbraw/zinc/16/63/72/175166372.db2.gz UCFZCDPXHGDKNF-UHFFFAOYSA-N 0 0 233.271 2.039 10 0 BEAERN COc1ccc(OC)c(NC[C@@H]2CCOC2)c1 ZINC000019910708 175166921 /nfs/dbraw/zinc/16/69/21/175166921.db2.gz ZDQLIMFJIVXOCV-JTQLQIEISA-N 0 0 237.299 2.152 10 0 BEAERN COc1ccc(OC)c([C@@H](O)C2CC2)c1 ZINC000032011940 175168415 /nfs/dbraw/zinc/16/84/15/175168415.db2.gz POGKGBITMFXFHC-LBPRGKRZSA-N 0 0 208.257 2.147 10 0 BEAERN COc1ccc(OC2CC2)c(Br)n1 ZINC000095729368 175171294 /nfs/dbraw/zinc/17/12/94/175171294.db2.gz YTLNIIOOVWALDT-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN COc1ccc([C@@H]2CCCC(=O)NC2)cc1 ZINC000090397017 175181789 /nfs/dbraw/zinc/18/17/89/175181789.db2.gz NKTPFZZYKCZWIB-LLVKDONJSA-N 0 0 219.284 2.079 10 0 BEAERN COc1ccc([C@H](C)C(C)=O)cc1OC ZINC000085662356 175187328 /nfs/dbraw/zinc/18/73/28/175187328.db2.gz DIWFDYWHQAEIMY-MRVPVSSYSA-N 0 0 208.257 2.396 10 0 BEAERN COc1ccc([C@H]([NH3+])CCCC(=O)[O-])cc1F ZINC000035424665 175192103 /nfs/dbraw/zinc/19/21/03/175192103.db2.gz IWCGFQQMOVZUIP-SNVBAGLBSA-N 0 0 241.262 2.089 10 0 BEAERN COc1ccc([C@H](O)C(C)C)c(OC)c1 ZINC000036158704 175193434 /nfs/dbraw/zinc/19/34/34/175193434.db2.gz IRAOPPHDUQCLIV-GFCCVEGCSA-N 0 0 210.273 2.393 10 0 BEAERN COc1ccc2c(c1)[nH]cc(Cl)c2=O ZINC000041701977 175202646 /nfs/dbraw/zinc/20/26/46/175202646.db2.gz NXAFOEOHFSPZHA-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN COc1ccc2c(c(C=O)cn2C)c1OC ZINC000058823884 175205883 /nfs/dbraw/zinc/20/58/83/175205883.db2.gz OUOKHRYPILJVPB-UHFFFAOYSA-N 0 0 219.240 2.008 10 0 BEAERN COc1ccc2cc([C@](C)([NH3+])C(=O)[O-])ccc2c1 ZINC000019519374 175225506 /nfs/dbraw/zinc/22/55/06/175225506.db2.gz MFOPLKBFMFXOBI-AWEZNQCLSA-N 0 0 245.278 2.107 10 0 BEAERN COc1cccc(-c2nc3cc(C)ncn3n2)c1 ZINC000002809668 175236202 /nfs/dbraw/zinc/23/62/02/175236202.db2.gz YGGSFFKQOZWVCT-UHFFFAOYSA-N 0 0 240.266 2.108 10 0 BEAERN COc1cccc(C(=O)N(C)C[C@H]2C[C@@H]2C)c1O ZINC000104422357 175242086 /nfs/dbraw/zinc/24/20/86/175242086.db2.gz UWOGMVOSVQRJGQ-VHSXEESVSA-N 0 0 249.310 2.129 10 0 BEAERN COc1cccc(C[N@H+](C)C/C(C)=C/C(=O)[O-])c1 ZINC000104270402 175253461 /nfs/dbraw/zinc/25/34/61/175253461.db2.gz RRMPQPIKNJOPRP-YRNVUSSQSA-N 0 0 249.310 2.158 10 0 BEAERN COc1cccc(N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000055420963 175279157 /nfs/dbraw/zinc/27/91/57/175279157.db2.gz UNCZMTVVDPIDIE-NSHDSACASA-N 0 0 248.326 2.118 10 0 BEAERN COc1cccc(NCc2ccnc(C)n2)c1 ZINC000054790077 175279338 /nfs/dbraw/zinc/27/93/38/175279338.db2.gz PCRFCDUMIYEQFD-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COc1cccc(OC)c1OC(F)F ZINC000041212444 175281680 /nfs/dbraw/zinc/28/16/80/175281680.db2.gz LPZMHUCJDBUNCO-UHFFFAOYSA-N 0 0 204.172 2.305 10 0 BEAERN COc1cccc([C@@H](C)n2nc(C)cc2N)c1 ZINC000043664523 175287623 /nfs/dbraw/zinc/28/76/23/175287623.db2.gz VOIXMGNOIWCATI-SNVBAGLBSA-N 0 0 231.299 2.392 10 0 BEAERN COc1cccc([C@@H](O)c2cccnc2)c1 ZINC000037464750 175290000 /nfs/dbraw/zinc/29/00/00/175290000.db2.gz GAWZSLWDVWXAKD-CYBMUJFWSA-N 0 0 215.252 2.172 10 0 BEAERN COc1cccc([C@@H](O)c2ccccc2N)c1 ZINC000085434449 175290171 /nfs/dbraw/zinc/29/01/71/175290171.db2.gz CPIVINZDVDNMIX-CQSZACIVSA-N 0 0 229.279 2.359 10 0 BEAERN COc1cccc([C@@H]2S[C@@H](C)C(=O)N2C)c1 ZINC000045030047 175292035 /nfs/dbraw/zinc/29/20/35/175292035.db2.gz CIMGNDBUESRXOC-UFBFGSQYSA-N 0 0 237.324 2.288 10 0 BEAERN COc1cccc([C@H](O)c2ccccc2N)c1 ZINC000085434448 175294667 /nfs/dbraw/zinc/29/46/67/175294667.db2.gz CPIVINZDVDNMIX-AWEZNQCLSA-N 0 0 229.279 2.359 10 0 BEAERN COc1cccc([C@H]2C[C@H]2C(=O)NC2CC2)c1 ZINC000106726723 175296607 /nfs/dbraw/zinc/29/66/07/175296607.db2.gz ZCBNFABAAYYSDN-CHWSQXEVSA-N 0 0 231.295 2.077 10 0 BEAERN COc1ccccc1-c1scnc1N ZINC000082532619 175312509 /nfs/dbraw/zinc/31/25/09/175312509.db2.gz BXQRROMXCVOCSH-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccccc1C(=O)C(=O)N[C@@H](C)C(C)C ZINC000185466260 175316317 /nfs/dbraw/zinc/31/63/17/175316317.db2.gz YVWRATDRJZXTMT-JTQLQIEISA-N 0 0 249.310 2.039 10 0 BEAERN COc1ccccc1C(=O)c1ccc[nH]1 ZINC000082564105 175319511 /nfs/dbraw/zinc/31/95/11/175319511.db2.gz DFEAYPRKVPHOPX-UHFFFAOYSA-N 0 0 201.225 2.254 10 0 BEAERN COc1ccccc1C(=O)n1cc(Cl)cn1 ZINC000002742948 175320093 /nfs/dbraw/zinc/32/00/93/175320093.db2.gz BWYXKLZMPFLIDP-UHFFFAOYSA-N 0 0 236.658 2.234 10 0 BEAERN COc1ccccc1CC(=O)N[C@@H](C)C(C)C ZINC000057160057 175321184 /nfs/dbraw/zinc/32/11/84/175321184.db2.gz DAATXLJXTHOFAF-NSHDSACASA-N 0 0 235.327 2.398 10 0 BEAERN COc1ccccc1CCC(=O)N[C@H]1C[C@@H]1C ZINC000171071739 175322599 /nfs/dbraw/zinc/32/25/99/175322599.db2.gz QVURTPIIZJQCRJ-JQWIXIFHSA-N 0 0 233.311 2.152 10 0 BEAERN COc1ccccc1CN[C@H](C)c1cc[nH]n1 ZINC000037906380 175331097 /nfs/dbraw/zinc/33/10/97/175331097.db2.gz UWMQQKCALCCCFO-SNVBAGLBSA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccccc1NC[C@H]1CCCO1 ZINC000020040079 175338131 /nfs/dbraw/zinc/33/81/31/175338131.db2.gz OOHYLJYRXOKLIY-SNVBAGLBSA-N 0 0 207.273 2.286 10 0 BEAERN COc1ccccc1N[C@@H]1CCCC[C@@H]1O ZINC000037690994 175338678 /nfs/dbraw/zinc/33/86/78/175338678.db2.gz BEQQXECCUXTFMR-PWSUYJOCSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccccc1Oc1c(N)c(C)nn1C ZINC000036749496 175342769 /nfs/dbraw/zinc/34/27/69/175342769.db2.gz QTDULMDGKVAZSU-UHFFFAOYSA-N 0 0 233.271 2.112 10 0 BEAERN COc1ccccc1Sc1ccc(N)nn1 ZINC000021298348 175343269 /nfs/dbraw/zinc/34/32/69/175343269.db2.gz BYHJDICSQDBDOP-UHFFFAOYSA-N 0 0 233.296 2.219 10 0 BEAERN COc1ccccc1[C@@H](C)NCc1cncnc1 ZINC000054767029 175344515 /nfs/dbraw/zinc/34/45/15/175344515.db2.gz VIYQUJGYAGJAQB-LLVKDONJSA-N 0 0 243.310 2.336 10 0 BEAERN COc1ccccc1[C@@H](C)NCc1csnn1 ZINC000036901994 175344842 /nfs/dbraw/zinc/34/48/42/175344842.db2.gz QHSYNXSYIZZYPD-SECBINFHSA-N 0 0 249.339 2.398 10 0 BEAERN COc1ccccc1[C@H](C)N(C)C(=O)CC(C)=O ZINC000037839280 175350552 /nfs/dbraw/zinc/35/05/52/175350552.db2.gz CEQBXLRZFXLBIV-NSHDSACASA-N 0 0 249.310 2.194 10 0 BEAERN COc1ccccc1[C@H](N)c1nccs1 ZINC000058432317 175353356 /nfs/dbraw/zinc/35/33/56/175353356.db2.gz IZSDNFAZOBDBFA-JTQLQIEISA-N 0 0 220.297 2.200 10 0 BEAERN COc1cccn2cc(-c3ccncc3)nc12 ZINC000077001970 175356631 /nfs/dbraw/zinc/35/66/31/175356631.db2.gz MTPRYXJVXGRWAS-UHFFFAOYSA-N 0 0 225.251 2.405 10 0 BEAERN COc1ccn2ncc(Br)c2c1 ZINC000095642862 175356862 /nfs/dbraw/zinc/35/68/62/175356862.db2.gz UBMXVPNXJBIJQI-UHFFFAOYSA-N 0 0 227.061 2.105 10 0 BEAERN COc1ccnc(N[C@H]2COc3ccccc32)n1 ZINC000122186357 175367888 /nfs/dbraw/zinc/36/78/88/175367888.db2.gz IOHSUXWRFOQSKZ-JTQLQIEISA-N 0 0 243.266 2.031 10 0 BEAERN COc1cncc(SC)c1OC1CC1 ZINC000095731176 175386645 /nfs/dbraw/zinc/38/66/45/175386645.db2.gz XEGQIOGJHRJYMQ-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1nc2ccsc2c(Cl)n1 ZINC000095935580 175392163 /nfs/dbraw/zinc/39/21/63/175392163.db2.gz ORXHNAHUJLGTGA-UHFFFAOYSA-N 0 0 200.650 2.353 10 0 BEAERN COc1nc(N(C)Cc2ccsc2)ccc1N ZINC000035718689 175392371 /nfs/dbraw/zinc/39/23/71/175392371.db2.gz YERCNILQHLEXNI-UHFFFAOYSA-N 0 0 249.339 2.370 10 0 BEAERN COc1nc(Cl)nc(NC2(C)CCCC2)n1 ZINC000061514330 175392521 /nfs/dbraw/zinc/39/25/21/175392521.db2.gz LXDNAVGSPKGKOP-UHFFFAOYSA-N 0 0 242.710 2.278 10 0 BEAERN COc1nc(N(C)[C@H](C)C(C)C)ccc1N ZINC000036787101 175393061 /nfs/dbraw/zinc/39/30/61/175393061.db2.gz VVDIYNGCCYBVDC-SECBINFHSA-N 0 0 223.320 2.153 10 0 BEAERN COc1nc(NCc2cccs2)ccc1N ZINC000037068121 175395382 /nfs/dbraw/zinc/39/53/82/175395382.db2.gz BCDJRXHBSXVLPA-UHFFFAOYSA-N 0 0 235.312 2.346 10 0 BEAERN COc1nc(NC2CCCC2)ccc1N ZINC000037066724 175395720 /nfs/dbraw/zinc/39/57/20/175395720.db2.gz MNKPKBFYEJARMY-UHFFFAOYSA-N 0 0 207.277 2.027 10 0 BEAERN COc1nc(NCc2ccc(F)cc2)ccc1N ZINC000037066982 175396089 /nfs/dbraw/zinc/39/60/89/175396089.db2.gz UGJAIJNIJBMVCA-UHFFFAOYSA-N 0 0 247.273 2.424 10 0 BEAERN COc1ncc(C)cc1NC(=O)N1CC2(CC2)C1 ZINC000333280506 175397878 /nfs/dbraw/zinc/39/78/78/175397878.db2.gz XRSIWELZSOZOCW-UHFFFAOYSA-N 0 0 247.298 2.026 10 0 BEAERN CS(=O)(=O)CCCn1ccc2ccccc21 ZINC000104296887 175422204 /nfs/dbraw/zinc/42/22/04/175422204.db2.gz OLZCQGCYOCPCMV-UHFFFAOYSA-N 0 0 237.324 2.076 10 0 BEAERN CSc1c(N)nc(Cl)nc1Cl ZINC000039342003 175571750 /nfs/dbraw/zinc/57/17/50/175571750.db2.gz DQGFHDMKKLPPCA-UHFFFAOYSA-N 0 0 210.089 2.088 10 0 BEAERN CSc1ccc(N)c(OCC(C)C)n1 ZINC000038063469 175576702 /nfs/dbraw/zinc/57/67/02/175576702.db2.gz HRSGXWFHLGWMHR-UHFFFAOYSA-N 0 0 212.318 2.421 10 0 BEAERN CSc1nncn1Cc1ccccc1 ZINC000075838497 175592776 /nfs/dbraw/zinc/59/27/76/175592776.db2.gz BXDAYSYANWSESU-UHFFFAOYSA-N 0 0 205.286 2.048 10 0 BEAERN C[C@@H](CO)Nc1ccc2ccccc2n1 ZINC000035606999 175758811 /nfs/dbraw/zinc/75/88/11/175758811.db2.gz PKQQHSVUOHBJBO-VIFPVBQESA-N 0 0 202.257 2.028 10 0 BEAERN C[C@@H](COCc1ccccc1)Nc1ncccn1 ZINC000172780890 175762441 /nfs/dbraw/zinc/76/24/41/175762441.db2.gz RVEJWWAUVHYLGF-LBPRGKRZSA-N 0 0 243.310 2.494 10 0 BEAERN C[C@@H](Cc1ccco1)Nc1cnn(C)c1 ZINC000062769890 175774477 /nfs/dbraw/zinc/77/44/77/175774477.db2.gz NREUSSABFKRGKA-VIFPVBQESA-N 0 0 205.261 2.056 10 0 BEAERN C[C@@H]([NH2+]CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000036722874 175864470 /nfs/dbraw/zinc/86/44/70/175864470.db2.gz QZKJBUWXEGFQTB-SSDOTTSWSA-N 0 0 247.216 2.441 10 0 BEAERN C[C@@H](Nc1cc(Cl)ccc1Cl)C(N)=O ZINC000020300848 175929270 /nfs/dbraw/zinc/92/92/70/175929270.db2.gz GMTUKKPGVFOZRQ-RXMQYKEDSA-N 0 0 233.098 2.279 10 0 BEAERN C[C@@H](Nc1cc(Cl)ncn1)[C@@H]1CCCO1 ZINC000048631239 175929390 /nfs/dbraw/zinc/92/93/90/175929390.db2.gz XICZEDMHSIITLC-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccco1 ZINC000043534950 175929528 /nfs/dbraw/zinc/92/95/28/175929528.db2.gz ZTGLURAQZINYLM-ZCFIWIBFSA-N 0 0 238.678 2.478 10 0 BEAERN C[C@@H](O)C(C)(C)NC(=O)/C=C/c1cccs1 ZINC000135361083 175944521 /nfs/dbraw/zinc/94/45/21/175944521.db2.gz QVGQTJITCRUDBM-XCODYQFDSA-N 0 0 239.340 2.037 10 0 BEAERN C[C@@H](O)CCc1ccc(O)c(Cl)c1 ZINC000062153450 175962077 /nfs/dbraw/zinc/96/20/77/175962077.db2.gz QMEUPDUSLRQFIS-SSDOTTSWSA-N 0 0 200.665 2.359 10 0 BEAERN C[C@@H](O)CNc1cc(Cl)ccc1F ZINC000037687894 175983645 /nfs/dbraw/zinc/98/36/45/175983645.db2.gz BRLJQKLTYHCVCH-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN C[C@@H](O)CNc1nnc(Cl)c2ccccc21 ZINC000050529350 175984208 /nfs/dbraw/zinc/98/42/08/175984208.db2.gz DHFSOQBZVQUEQT-SSDOTTSWSA-N 0 0 237.690 2.076 10 0 BEAERN C[C@@H](O)[C@@H](C)Oc1ccc2cccnc2c1 ZINC000229049023 175992816 /nfs/dbraw/zinc/99/28/16/175992816.db2.gz IPPNTYNLLIJSLN-NXEZZACHSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@@H](O)c1ccccc1N1CCC[C@H]1CCCO ZINC000103917403 176000068 /nfs/dbraw/zinc/00/00/68/176000068.db2.gz VWXLMMWTSBSDPV-OLZOCXBDSA-N 0 0 249.354 2.481 10 0 BEAERN C[C@@H](O)c1nc2ccccc2n1C[C@H]1CCCO1 ZINC000040390161 176001127 /nfs/dbraw/zinc/00/11/27/176001127.db2.gz GXEXZHZFGAUWAS-GHMZBOCLSA-N 0 0 246.310 2.269 10 0 BEAERN C[C@@H](Oc1cccc(Cl)c1)c1nc(N)n[nH]1 ZINC000003723287 176005165 /nfs/dbraw/zinc/00/51/65/176005165.db2.gz POUPJMNDOPHNND-ZCFIWIBFSA-N 0 0 238.678 2.180 10 0 BEAERN C[C@@H](c1ccc(N)cc1)N1C(=O)CCCCC1=O ZINC000035059006 176016023 /nfs/dbraw/zinc/01/60/23/176016023.db2.gz JMRJKYSIKDUHLS-JTQLQIEISA-N 0 0 246.310 2.259 10 0 BEAERN C[C@@H](c1nc(-c2ncon2)no1)C1CCC1 ZINC000333814397 176038592 /nfs/dbraw/zinc/03/85/92/176038592.db2.gz GHBVMEHMWJXYEM-ZCFIWIBFSA-N 0 0 220.232 2.023 10 0 BEAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1cncc(N)c1 ZINC000062947456 176082653 /nfs/dbraw/zinc/08/26/53/176082653.db2.gz QJNVVZWVDNYAPK-SKDRFNHKSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1cc(N)c[nH]1 ZINC000041046729 176082690 /nfs/dbraw/zinc/08/26/90/176082690.db2.gz PYPDVSIUHMOSKF-KCJUWKMLSA-N 0 0 222.288 2.332 10 0 BEAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(N)cn1C ZINC000042270975 176085876 /nfs/dbraw/zinc/08/58/76/176085876.db2.gz XCLGUZZXSRPDSU-ZYHUDNBSSA-N 0 0 249.358 2.258 10 0 BEAERN C[C@@H]1CCCC[C@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000037359562 176089942 /nfs/dbraw/zinc/08/99/42/176089942.db2.gz SSXLQLCSHDGTOG-PWSUYJOCSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCC[N@H+](Cc2cccnc2C(=O)[O-])C1 ZINC000062750308 176102339 /nfs/dbraw/zinc/10/23/39/176102339.db2.gz YSNJRUUAVTVVSU-SNVBAGLBSA-N 0 0 234.299 2.012 10 0 BEAERN C[C@@H]1CCC[N@@H+]1C1(C(=O)[O-])CCCCC1 ZINC000041838940 176107575 /nfs/dbraw/zinc/10/75/75/176107575.db2.gz ZBVAWDNGDYAQEX-SNVBAGLBSA-N 0 0 211.305 2.258 10 0 BEAERN C[C@@H]1CCCN1CC(=O)Cc1ccccc1F ZINC000037911712 176108416 /nfs/dbraw/zinc/10/84/16/176108416.db2.gz ZEQNLYFUGMYBHA-LLVKDONJSA-N 0 0 235.302 2.422 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccnc1N ZINC000050696573 176115712 /nfs/dbraw/zinc/11/57/12/176115712.db2.gz WVFWBNOUDNFMTO-NXEZZACHSA-N 0 0 233.315 2.067 10 0 BEAERN C[C@@H]1CCC[C@@H]([N@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859731 176120395 /nfs/dbraw/zinc/12/03/95/176120395.db2.gz JYMDVABOMXLBFM-OZSGMGSPSA-N 0 0 211.305 2.138 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCCC[C@H]1O ZINC000300286348 176126767 /nfs/dbraw/zinc/12/67/67/176126767.db2.gz MPXDSSRIEKSIBY-MROQNXINSA-N 0 0 239.359 2.232 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000336400895 176135900 /nfs/dbraw/zinc/13/59/00/176135900.db2.gz WFBOCDXVJQAXMO-NEPJUHHUSA-N 0 0 247.342 2.052 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000304293203 176135949 /nfs/dbraw/zinc/13/59/49/176135949.db2.gz GVMJMQVBCATAOS-VOAKCMCISA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOC2(CCC2)C1 ZINC000336593289 176146875 /nfs/dbraw/zinc/14/68/75/176146875.db2.gz PERNUZAVXPQKEY-VXGBXAGGSA-N 0 0 237.343 2.204 10 0 BEAERN C[C@@H]1CC[N@H+](CC2(C(=O)[O-])CCCCC2)C1 ZINC000051288756 176167947 /nfs/dbraw/zinc/16/79/47/176167947.db2.gz PQFVYZKRZHAYJW-LLVKDONJSA-N 0 0 225.332 2.363 10 0 BEAERN C[C@@H]1CC[C@@H](NS(C)(=O)=O)c2ccccc21 ZINC000162307148 176213493 /nfs/dbraw/zinc/21/34/93/176213493.db2.gz ZZAAWGHIJSQRMN-BXKDBHETSA-N 0 0 239.340 2.174 10 0 BEAERN C[C@@H]1CN(C(=O)Nc2ccsc2)C[C@@H](C)O1 ZINC000157235817 176252770 /nfs/dbraw/zinc/25/27/70/176252770.db2.gz VUHWDTLNTSLQDZ-RKDXNWHRSA-N 0 0 240.328 2.389 10 0 BEAERN C[C@@H]1CN(C(=O)c2c[nH]c3ccccc32)CCO1 ZINC000035149521 176259582 /nfs/dbraw/zinc/25/95/82/176259582.db2.gz YLOMDICAWCXCGS-SNVBAGLBSA-N 0 0 244.294 2.029 10 0 BEAERN C[C@@H]1CN(Cc2ccc(N)c(F)c2)C[C@@H](C)O1 ZINC000063011160 176304583 /nfs/dbraw/zinc/30/45/83/176304583.db2.gz SIJHJSYAHSURFP-NXEZZACHSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@@H]1CN[C@@H](c2ccccc2Cl)CO1 ZINC000071518354 176330653 /nfs/dbraw/zinc/33/06/53/176330653.db2.gz JAWDOIZTHFYQPG-LDYMZIIASA-N 0 0 211.692 2.389 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1cccc(Cl)n1 ZINC000075766324 176347437 /nfs/dbraw/zinc/34/74/37/176347437.db2.gz HQNRKZLSGPILSH-NXEZZACHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1C[C@@H](C)C[NH+](CC(C)(C)C(=O)[O-])C1 ZINC000011799622 176361105 /nfs/dbraw/zinc/36/11/05/176361105.db2.gz CFXWINRBZFFKPH-NXEZZACHSA-N 0 0 213.321 2.075 10 0 BEAERN C[C@@H]1C[C@@H]1C[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000104414003 176391523 /nfs/dbraw/zinc/39/15/23/176391523.db2.gz FEDGUVHBSDDSSN-RKDXNWHRSA-N 0 0 234.299 2.059 10 0 BEAERN C[C@@H]1C[C@@H]1N=c1[nH]c2c(cccc2F)o1 ZINC000336754567 176398981 /nfs/dbraw/zinc/39/89/81/176398981.db2.gz IHUFQLUVLFYSOC-SVRRBLITSA-N 0 0 206.220 2.209 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1ccccc1 ZINC000171069811 176399684 /nfs/dbraw/zinc/39/96/84/176399684.db2.gz ZRGQDRZVMJWQBV-PWSUYJOCSA-N 0 0 203.285 2.144 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)c1c[nH]c2ncccc12 ZINC000034976933 176432960 /nfs/dbraw/zinc/43/29/60/176432960.db2.gz VKBFNIRMKALPBB-VXNVDRBHSA-N 0 0 200.241 2.402 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1F ZINC000054215582 176445192 /nfs/dbraw/zinc/44/51/92/176445192.db2.gz QZTMJFHGOLUSLI-HZGVNTEJSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@@H]1C[C@H]1c1ccc(Cn2nccc2N)o1 ZINC000019689304 176448274 /nfs/dbraw/zinc/44/82/74/176448274.db2.gz JERNGQKRMBYCJB-PSASIEDQSA-N 0 0 217.272 2.230 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1C(=O)C1(C)CCCCC1 ZINC000336233913 176503159 /nfs/dbraw/zinc/50/31/59/176503159.db2.gz ZFJQMHBFDFVUJU-VXGBXAGGSA-N 0 0 239.359 2.329 10 0 BEAERN C[C@H](C(=O)N1CCC[C@@H]1CCCO)C(C)(F)F ZINC000336899020 176562702 /nfs/dbraw/zinc/56/27/02/176562702.db2.gz QXQZVYDILBGGCZ-NXEZZACHSA-N 0 0 249.301 2.041 10 0 BEAERN C[C@H](NC(=O)[C@@H](C)c1ccccc1)[C@H]1CCCO1 ZINC000181950432 176575419 /nfs/dbraw/zinc/57/54/19/176575419.db2.gz UIKBYENWINJJOH-SGMGOOAPSA-N 0 0 247.338 2.474 10 0 BEAERN C[C@H](C(=O)c1ccc(Cl)cc1)n1cncn1 ZINC000034595834 176587895 /nfs/dbraw/zinc/58/78/95/176587895.db2.gz XHVHQXCBETVWDC-MRVPVSSYSA-N 0 0 235.674 2.375 10 0 BEAERN C[C@H](C[NH+]1CCCC1)Nc1ccccc1C(=O)[O-] ZINC000050913292 176664276 /nfs/dbraw/zinc/66/42/76/176664276.db2.gz LLCIZIILUXURFX-LLVKDONJSA-N 0 0 248.326 2.281 10 0 BEAERN C[C@H](CNc1ccc(Cl)cc1F)C(N)=O ZINC000042589863 176686026 /nfs/dbraw/zinc/68/60/26/176686026.db2.gz PVGYJBSHGSVTMZ-ZCFIWIBFSA-N 0 0 230.670 2.012 10 0 BEAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)c1cccc(O)c1 ZINC000112460141 176805370 /nfs/dbraw/zinc/80/53/70/176805370.db2.gz LGZJKACSOTWYLU-PTRXPTGYSA-N 0 0 234.299 2.161 10 0 BEAERN C[C@H](NC(=O)c1cnn2c1CCCC2)C(C)(C)C ZINC000126818961 176822326 /nfs/dbraw/zinc/82/23/26/176822326.db2.gz AJULFRHWAGABBE-JTQLQIEISA-N 0 0 249.358 2.384 10 0 BEAERN C[C@H](Nc1ccc(N(C)C)nc1)c1cc[nH]n1 ZINC000037907511 176933101 /nfs/dbraw/zinc/93/31/01/176933101.db2.gz QYOIVVIKOSXCCE-VIFPVBQESA-N 0 0 231.303 2.044 10 0 BEAERN C[C@H](Nc1ccc(O)cc1)c1cc[nH]n1 ZINC000037908135 176933964 /nfs/dbraw/zinc/93/39/64/176933964.db2.gz AKZQVEUAZKMVPG-QMMMGPOBSA-N 0 0 203.245 2.288 10 0 BEAERN C[C@H](Nc1ccccc1)C(=O)NCc1ccco1 ZINC000020358918 176936723 /nfs/dbraw/zinc/93/67/23/176936723.db2.gz FCKOXDFPCKJHDS-NSHDSACASA-N 0 0 244.294 2.396 10 0 BEAERN C[C@H](O)Cc1nc(C2CCCCC2)no1 ZINC000082430373 177002863 /nfs/dbraw/zinc/00/28/63/177002863.db2.gz QDFAITZYWQWRSM-QMMMGPOBSA-N 0 0 210.277 2.041 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ncccc1Br ZINC000306518122 177012429 /nfs/dbraw/zinc/01/24/29/177012429.db2.gz BOOISHWYHRTRDK-BQBZGAKWSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)[C@H](C)c1nc(CCc2ccccc2)no1 ZINC000104054328 177013182 /nfs/dbraw/zinc/01/31/82/177013182.db2.gz MMWGLUSGEDOJCJ-QWRGUYRKSA-N 0 0 246.310 2.339 10 0 BEAERN C[C@H](O)c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000103964696 177017096 /nfs/dbraw/zinc/01/70/96/177017096.db2.gz KBJQSCPMZRYBAX-ZLKJLUDKSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1ccc(N2CCCC2)c(F)c1 ZINC000035631062 177017218 /nfs/dbraw/zinc/01/72/18/177017218.db2.gz BMAIVMDXIWGNRO-VIFPVBQESA-N 0 0 209.264 2.479 10 0 BEAERN C[C@H](O)c1ccc2c(c1)CCCC(=O)N2 ZINC000040261255 177017233 /nfs/dbraw/zinc/01/72/33/177017233.db2.gz KJPCXHDUJGXXAE-QMMMGPOBSA-N 0 0 205.257 2.015 10 0 BEAERN C[C@H](O)c1ccc(F)cc1OC[C@H]1CCCO1 ZINC000062749199 177017528 /nfs/dbraw/zinc/01/75/28/177017528.db2.gz GAYGCIOQNFRVJU-GXSJLCMTSA-N 0 0 240.274 2.437 10 0 BEAERN C[C@H](O)c1nc2ccccc2n1C[C@H]1CCCO1 ZINC000040390160 177018316 /nfs/dbraw/zinc/01/83/16/177018316.db2.gz GXEXZHZFGAUWAS-WDEREUQCSA-N 0 0 246.310 2.269 10 0 BEAERN C[C@H](OCc1ccccc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000184701560 177022074 /nfs/dbraw/zinc/02/20/74/177022074.db2.gz PMXJVOYTTBXXQE-GMXVVIOVSA-N 0 0 233.311 2.116 10 0 BEAERN C[C@H](SC[C@@H](O)CO)c1ccc(F)cc1F ZINC000177444080 177027385 /nfs/dbraw/zinc/02/73/85/177027385.db2.gz UKGTWPZOMVQTGH-CBAPKCEASA-N 0 0 248.294 2.112 10 0 BEAERN C[C@H]([C@H]1CCCO1)n1c(N)nc2c1cccc2F ZINC000037421508 177032280 /nfs/dbraw/zinc/03/22/80/177032280.db2.gz VMOQBASQKFOOPV-LDYMZIIASA-N 0 0 249.289 2.498 10 0 BEAERN C[C@H](c1ccc(F)cc1F)n1nccc1N ZINC000019689428 177034383 /nfs/dbraw/zinc/03/43/83/177034383.db2.gz GWAZDAFITXBPND-SSDOTTSWSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@H](c1ccc(F)c(F)c1)n1nccc1N ZINC000019689280 177034490 /nfs/dbraw/zinc/03/44/90/177034490.db2.gz ILRILRVSQTXMFE-SSDOTTSWSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@@H](O)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000104061510 177053339 /nfs/dbraw/zinc/05/33/39/177053339.db2.gz OKOZCGHXZPMBJW-VHSXEESVSA-N 0 0 232.283 2.145 10 0 BEAERN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CC1=O ZINC000142025166 177062884 /nfs/dbraw/zinc/06/28/84/177062884.db2.gz AFMMHVFSLJYZKE-BDAKNGLRSA-N 0 0 227.304 2.221 10 0 BEAERN C[C@H]1CCCC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000062182841 177076360 /nfs/dbraw/zinc/07/63/60/177076360.db2.gz JYURMLPKIJNKIG-JTQLQIEISA-N 0 0 234.299 2.154 10 0 BEAERN C[C@H]1CCCCN1Cc1cc(Cl)nc(N)n1 ZINC000146838969 177076878 /nfs/dbraw/zinc/07/68/78/177076878.db2.gz ZFVIZYSBTVJVBX-QMMMGPOBSA-N 0 0 240.738 2.087 10 0 BEAERN C[C@H]1CCCC[C@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000037359564 177090683 /nfs/dbraw/zinc/09/06/83/177090683.db2.gz SSXLQLCSHDGTOG-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1CCCN(C(=O)c2cc(N)cc(N)c2)CC1 ZINC000104356309 177094381 /nfs/dbraw/zinc/09/43/81/177094381.db2.gz QESNANMHCFNROS-JTQLQIEISA-N 0 0 247.342 2.113 10 0 BEAERN C[C@H]1CCCN(c2ccc(N)c3nonc32)CC1 ZINC000104346217 177105599 /nfs/dbraw/zinc/10/55/99/177105599.db2.gz WZCYXAJOUQVIQT-VIFPVBQESA-N 0 0 246.314 2.431 10 0 BEAERN C[C@H]1CCCN1C(=O)c1ccc(N)cc1F ZINC000043570991 177108036 /nfs/dbraw/zinc/10/80/36/177108036.db2.gz XNUDTGLYNWXYEH-QMMMGPOBSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2)[NH2+]1 ZINC000019425532 177113565 /nfs/dbraw/zinc/11/35/65/177113565.db2.gz YGXGPIQISVLDPM-CABZTGNLSA-N 0 0 236.290 2.295 10 0 BEAERN C[C@H]1CCC[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491634 177120853 /nfs/dbraw/zinc/12/08/53/177120853.db2.gz ONCPVNNTQCZBQF-VHSXEESVSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CCC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC000119604650 177121603 /nfs/dbraw/zinc/12/16/03/177121603.db2.gz MTNUCKHGYRRCGP-NWDGAFQWSA-N 0 0 249.358 2.048 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(=O)[nH]c1 ZINC000334184150 177123833 /nfs/dbraw/zinc/12/38/33/177123833.db2.gz CXKDPKHBJYYWBV-WPRPVWTQSA-N 0 0 220.272 2.162 10 0 BEAERN C[C@H]1CCC[C@H]1c1nc(-c2cncn2C)no1 ZINC000333212197 177143062 /nfs/dbraw/zinc/14/30/62/177143062.db2.gz PYQJCSZEBFDIFB-DTWKUNHWSA-N 0 0 232.287 2.374 10 0 BEAERN C[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000263768784 177150454 /nfs/dbraw/zinc/15/04/54/177150454.db2.gz STFKVWOEOGXGAS-CMPLNLGQSA-N 0 0 246.310 2.172 10 0 BEAERN C[C@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000263768788 177150598 /nfs/dbraw/zinc/15/05/98/177150598.db2.gz STFKVWOEOGXGAS-JQWIXIFHSA-N 0 0 246.310 2.172 10 0 BEAERN C[C@H]1CCN(C(=O)c2c[nH]c3ccc(N)cc23)C1 ZINC000062832756 177153083 /nfs/dbraw/zinc/15/30/83/177153083.db2.gz VRUYJQZOFBNBBV-VIFPVBQESA-N 0 0 243.310 2.232 10 0 BEAERN C[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1=O ZINC000101417680 177165648 /nfs/dbraw/zinc/16/56/48/177165648.db2.gz BTDSRZRPAVDUQC-RYUDHWBXSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2F)O1 ZINC000121810931 177182168 /nfs/dbraw/zinc/18/21/68/177182168.db2.gz ZBMSRMONHQDJAJ-KWQFWETISA-N 0 0 223.247 2.332 10 0 BEAERN C[C@H]1CC[C@H](Cc2nc(-c3ncon3)no2)C1 ZINC000329588044 177202897 /nfs/dbraw/zinc/20/28/97/177202897.db2.gz MXTSNULWCQGXBO-YUMQZZPRSA-N 0 0 234.259 2.098 10 0 BEAERN C[C@H]1CN(C(=O)N[C@H]2CC=CCC2)CCS1 ZINC000077641697 177221418 /nfs/dbraw/zinc/22/14/18/177221418.db2.gz RPBMHBIMVOHWPU-QWRGUYRKSA-N 0 0 240.372 2.242 10 0 BEAERN C[C@H]1CN(C(=O)Nc2nccs2)CCS1 ZINC000171721982 177221784 /nfs/dbraw/zinc/22/17/84/177221784.db2.gz LQHYDVJTGWAICB-ZETCQYMHSA-N 0 0 243.357 2.112 10 0 BEAERN C[C@H]1CN(C(=O)c2ccccc2F)CCS1 ZINC000122496686 177228495 /nfs/dbraw/zinc/22/84/95/177228495.db2.gz IXYKSTLNVFRTHR-VIFPVBQESA-N 0 0 239.315 2.403 10 0 BEAERN C[C@H]1CN(CCCOc2ccccc2)CCC1=O ZINC000052092348 177250224 /nfs/dbraw/zinc/25/02/24/177250224.db2.gz ZPSZHWKSDMCSIY-ZDUSSCGKSA-N 0 0 247.338 2.366 10 0 BEAERN C[C@H]1CN(C[C@@H]2CCCC2(F)F)CCC1=O ZINC000334560968 177258002 /nfs/dbraw/zinc/25/80/02/177258002.db2.gz WDWPBRLZBLAQSS-UWVGGRQHSA-N 0 0 231.286 2.333 10 0 BEAERN C[C@H]1CNc2cc3c(cc2C1)OCCO3 ZINC000011633194 177286971 /nfs/dbraw/zinc/28/69/71/177286971.db2.gz AZECVJVKNFWHTD-MRVPVSSYSA-N 0 0 205.257 2.062 10 0 BEAERN C[C@H]1CNc2ccc(Cl)cc2NC1=O ZINC000039224539 177287503 /nfs/dbraw/zinc/28/75/03/177287503.db2.gz HDLCSOQJXLBNLK-LURJTMIESA-N 0 0 210.664 2.340 10 0 BEAERN C[C@H]1C[C@@H](C(F)(F)F)n2nccc2N1 ZINC000002536705 177309697 /nfs/dbraw/zinc/30/96/97/177309697.db2.gz IHJGEGBNYMMGDQ-WDSKDSINSA-N 0 0 205.183 2.191 10 0 BEAERN C[C@H]1C[C@@H](c2cccs2)C[N@@H+]1CC(=O)[O-] ZINC000309312527 177339205 /nfs/dbraw/zinc/33/92/05/177339205.db2.gz CHRHGGSUWUDPGF-DTWKUNHWSA-N 0 0 225.313 2.011 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000171066610 177346782 /nfs/dbraw/zinc/34/67/82/177346782.db2.gz CSKPYJWEDVDHEM-KWQFWETISA-N 0 0 239.702 2.243 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCc2cccc(F)c2C1 ZINC000158467599 177347055 /nfs/dbraw/zinc/34/70/55/177347055.db2.gz KJCHEIXXHSVWPT-ZANVPECISA-N 0 0 248.301 2.302 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000075529590 177347308 /nfs/dbraw/zinc/34/73/08/177347308.db2.gz LFLQSTKNAUIYTO-HZMBPMFUSA-N 0 0 229.323 2.242 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(N)ccc1Cl ZINC000052268191 177348005 /nfs/dbraw/zinc/34/80/05/177348005.db2.gz GMJGUKBCMMSRIW-WKEGUHRASA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccccc1OC(F)F ZINC000171056779 177349297 /nfs/dbraw/zinc/34/92/97/177349297.db2.gz HJGVJNOJYXGJSB-CBAPKCEASA-N 0 0 241.237 2.426 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccccc1C(N)=S ZINC000052292542 177350982 /nfs/dbraw/zinc/35/09/82/177350982.db2.gz ARRSGTBENRXIPG-XVKPBYJWSA-N 0 0 206.314 2.141 10 0 BEAERN C[C@H]1C[C@@H]1c1ccc(Cn2nccc2N)o1 ZINC000019689302 177351578 /nfs/dbraw/zinc/35/15/78/177351578.db2.gz JERNGQKRMBYCJB-WPRPVWTQSA-N 0 0 217.272 2.230 10 0 BEAERN C[C@H]1C[C@H](C)N(Cc2ccccc2)CC1=O ZINC000068592966 177360117 /nfs/dbraw/zinc/36/01/17/177360117.db2.gz LLKQSLKJBCYCMG-RYUDHWBXSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1C[C@@H](CNc2ncc(F)cn2)C[C@H](C)O1 ZINC000281768805 177363548 /nfs/dbraw/zinc/36/35/48/177363548.db2.gz GDQKHGBLJWFOLH-ILWJIGKKSA-N 0 0 239.294 2.231 10 0 BEAERN C[C@@H](c1cccc(N)c1)N(C)C(=O)[C@@H]1C[C@@H]1C ZINC000036738209 177376380 /nfs/dbraw/zinc/37/63/80/177376380.db2.gz CBUHKBKPCCUGSZ-OUJBWJOFSA-N 0 0 232.327 2.444 10 0 BEAERN C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000104425456 177379104 /nfs/dbraw/zinc/37/91/04/177379104.db2.gz CFSGGAHSKQEESH-QNWJLWSRSA-N 0 0 239.359 2.464 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1cccc(F)c1 ZINC000170809175 177383645 /nfs/dbraw/zinc/38/36/45/177383645.db2.gz GPWXHELVIYIZFI-JOYOIKCWSA-N 0 0 236.290 2.376 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000075518994 177384819 /nfs/dbraw/zinc/38/48/19/177384819.db2.gz VFVDRXZPBKCWTL-WRWORJQWSA-N 0 0 232.258 2.445 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000330305395 177384862 /nfs/dbraw/zinc/38/48/62/177384862.db2.gz QPQXPNFOBBURAD-IONNQARKSA-N 0 0 247.323 2.276 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccnc1C(F)(F)F ZINC000136886133 177385576 /nfs/dbraw/zinc/38/55/76/177385576.db2.gz TUKBVVLSKYMHFG-POYBYMJQSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000189398321 177397647 /nfs/dbraw/zinc/39/76/47/177397647.db2.gz HCLUPPBABJDEQB-SKDRFNHKSA-N 0 0 235.283 2.146 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CC1CCCCC1 ZINC000336233873 177435230 /nfs/dbraw/zinc/43/52/30/177435230.db2.gz ULCMYIDJCLGMKN-WCQYABFASA-N 0 0 239.359 2.329 10 0 BEAERN C[S@](=O)c1cc(-c2ccccc2)no1 ZINC000169344197 177497458 /nfs/dbraw/zinc/49/74/58/177497458.db2.gz FYXXQWDUDYNOMO-AWEZNQCLSA-N 0 0 207.254 2.079 10 0 BEAERN Cc1c(N)n(C)nc1-c1c(F)cccc1F ZINC000036938092 177551225 /nfs/dbraw/zinc/55/12/25/177551225.db2.gz YDWMQGAZSPHNTH-UHFFFAOYSA-N 0 0 223.226 2.256 10 0 BEAERN Cc1c(N)cc(Cl)c2c1N[C@H](C)CO2 ZINC000062525832 177611089 /nfs/dbraw/zinc/61/10/89/177611089.db2.gz ARHFOCGSGJZXEA-RXMQYKEDSA-N 0 0 212.680 2.423 10 0 BEAERN O=C(OCC(F)(F)F)N1C[C@H]2CCC[C@@H]21 ZINC000495603802 226283305 /nfs/dbraw/zinc/28/33/05/226283305.db2.gz QWVAMTPCFWICRH-RQJHMYQMSA-N 0 0 223.194 2.170 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000408025157 487659734 /nfs/dbraw/zinc/65/97/34/487659734.db2.gz ONOASHVESGJOOK-NOOOWODRSA-N 0 0 240.347 2.042 10 0 BEAERN COC1(CNC(=O)OC(C)C)CCCC1 ZINC000308901778 229256676 /nfs/dbraw/zinc/25/66/76/229256676.db2.gz CCKDCXTYJLHCNS-UHFFFAOYSA-N 0 0 215.293 2.080 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@@H](O)[C@H]1C)C(C)(C)C ZINC000399077093 262775442 /nfs/dbraw/zinc/77/54/42/262775442.db2.gz QSABNEYIYXJSTR-HBNTYKKESA-N 0 0 227.348 2.040 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000669695762 487687178 /nfs/dbraw/zinc/68/71/78/487687178.db2.gz BHFFLBAXVKNMPL-SRVKXCTJSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)CC1CCCCC1 ZINC000399216275 262779987 /nfs/dbraw/zinc/77/99/87/262779987.db2.gz UEUVKOHFKWFLCO-WCQYABFASA-N 0 0 239.359 2.329 10 0 BEAERN CCC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(=O)[O-] ZINC000397680159 262792740 /nfs/dbraw/zinc/79/27/40/262792740.db2.gz IIWYWWLQGPKFOT-AEJSXWLSSA-N 0 0 213.321 2.264 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCC[C@H](O)C1 ZINC000665692724 487732088 /nfs/dbraw/zinc/73/20/88/487732088.db2.gz ONUNYNYEOJYETA-MNOVXSKESA-N 0 0 235.331 2.315 10 0 BEAERN O=C(NCCc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250808966 487741278 /nfs/dbraw/zinc/74/12/78/487741278.db2.gz JWSWDFKKEQSFIE-BTTYYORXSA-N 0 0 229.323 2.391 10 0 BEAERN Cc1ccncc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250864609 487743133 /nfs/dbraw/zinc/74/31/33/487743133.db2.gz FTOBYWKGHBTLDJ-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C)cs1 ZINC000384871146 487752501 /nfs/dbraw/zinc/75/25/01/487752501.db2.gz OUSBSUQXEBBOSQ-GXSJLCMTSA-N 0 0 239.340 2.042 10 0 BEAERN O=C(NCC1CCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251411068 487755433 /nfs/dbraw/zinc/75/54/33/487755433.db2.gz RAMUSSNRKPCPIK-ZSBIGDGJSA-N 0 0 207.317 2.339 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2ncccc2C(=O)[O-])C[C@H]1C ZINC000385406218 487785162 /nfs/dbraw/zinc/78/51/62/487785162.db2.gz PXGAMZRNNIWTMH-GHMZBOCLSA-N 0 0 248.326 2.258 10 0 BEAERN CC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000251770189 487797056 /nfs/dbraw/zinc/79/70/56/487797056.db2.gz VCLFSADKMOLPAZ-ZSBIGDGJSA-N 0 0 207.317 2.291 10 0 BEAERN CCc1ccccc1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000676334627 487839099 /nfs/dbraw/zinc/83/90/99/487839099.db2.gz BOTFKCDFZHHMSN-QWHCGFSZSA-N 0 0 247.338 2.282 10 0 BEAERN NN(C(=O)c1cccs1)c1ccccc1 ZINC000196835919 487864624 /nfs/dbraw/zinc/86/46/24/487864624.db2.gz QFNANDSMRBIHAA-UHFFFAOYSA-N 0 0 218.281 2.269 10 0 BEAERN CC1CC(C(=O)NCc2ccc(O)cc2)C1 ZINC000531009348 322972851 /nfs/dbraw/zinc/97/28/51/322972851.db2.gz FUYYMHWFWMSPRI-UHFFFAOYSA-N 0 0 219.284 2.055 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccn2)O1 ZINC000133286909 322970332 /nfs/dbraw/zinc/97/03/32/322970332.db2.gz HRUQTDAKDQFTKF-IONNQARKSA-N 0 0 240.690 2.241 10 0 BEAERN COCCC1(C(=O)NCC2(C)CCC2)CCC1 ZINC000123687904 322997668 /nfs/dbraw/zinc/99/76/68/322997668.db2.gz PQYXRFPAXVICLI-UHFFFAOYSA-N 0 0 239.359 2.500 10 0 BEAERN CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H]1C ZINC000151210073 323013562 /nfs/dbraw/zinc/01/35/62/323013562.db2.gz IJACGGLSQIKMKJ-WOPDTQHZSA-N 0 0 227.348 2.352 10 0 BEAERN CSCCC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000132299254 323014816 /nfs/dbraw/zinc/01/48/16/323014816.db2.gz SIDUQZSUUFTZSQ-VHSXEESVSA-N 0 0 215.362 2.244 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)Nc1nncs1 ZINC000112002530 323164769 /nfs/dbraw/zinc/16/47/69/323164769.db2.gz MUMQDDZVIOLVNQ-SECBINFHSA-N 0 0 247.323 2.355 10 0 BEAERN CCN(CC1CC1)C(=O)NCc1cccc(C)n1 ZINC000112213827 323167207 /nfs/dbraw/zinc/16/72/07/323167207.db2.gz QSWRFXNEPYSYRF-UHFFFAOYSA-N 0 0 247.342 2.332 10 0 BEAERN COc1ccccc1[C@]1(O)CCS[C@H]1C ZINC000211607026 323195251 /nfs/dbraw/zinc/19/52/51/323195251.db2.gz YDSHYWJFQDIFMU-CABZTGNLSA-N 0 0 224.325 2.408 10 0 BEAERN CCCn1nccc1NC(=O)N[C@H](C)C1CC1 ZINC000043720516 323298032 /nfs/dbraw/zinc/29/80/32/323298032.db2.gz KPUYKJFUDJNAEX-SECBINFHSA-N 0 0 236.319 2.213 10 0 BEAERN CCCn1nccc1NC(=O)N(CC)C1CC1 ZINC000043720133 323298331 /nfs/dbraw/zinc/29/83/31/323298331.db2.gz TUQPYMRBDOPMQR-UHFFFAOYSA-N 0 0 236.319 2.309 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1c(F)cccc1F ZINC000399508880 323396262 /nfs/dbraw/zinc/39/62/62/323396262.db2.gz YTFMUFCEBVULCG-UWVGGRQHSA-N 0 0 241.281 2.310 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@]1(CCOC1)O2 ZINC000160700646 323944812 /nfs/dbraw/zinc/94/48/12/323944812.db2.gz AMKLLDFREWCZBO-ZDUSSCGKSA-N 0 0 218.252 2.119 10 0 BEAERN CC(C)(C)c1nc2n(c1CO)CCCC2 ZINC000258988355 323947729 /nfs/dbraw/zinc/94/77/29/323947729.db2.gz FRAPFSGFMCRPEB-UHFFFAOYSA-N 0 0 208.305 2.009 10 0 BEAERN CCOC(=O)c1sc(C2CC2)cc1N ZINC000259813644 323947746 /nfs/dbraw/zinc/94/77/46/323947746.db2.gz PPVVPAGNKQUZOB-UHFFFAOYSA-N 0 0 211.286 2.384 10 0 BEAERN Cc1nc(-c2cccc(N(C)C)c2)oc1CO ZINC000401172122 323949962 /nfs/dbraw/zinc/94/99/62/323949962.db2.gz XETNUSNNIOSOTP-UHFFFAOYSA-N 0 0 232.283 2.208 10 0 BEAERN CC[S@@](C)(=O)=Nc1cn(C)nc1C(C)C ZINC000536950372 323953749 /nfs/dbraw/zinc/95/37/49/323953749.db2.gz HGLUVIOIGJYRSI-OAHLLOKOSA-N 0 0 229.349 2.293 10 0 BEAERN C[C@@H]1CCCc2nc(C(F)F)cc(=O)n21 ZINC000536950960 323955826 /nfs/dbraw/zinc/95/58/26/323955826.db2.gz MPBUZHUJIJFUGW-ZCFIWIBFSA-N 0 0 214.215 2.078 10 0 BEAERN CC[C@]1(O)COc2cc(C)c(C)cc2O1 ZINC000536952236 323958077 /nfs/dbraw/zinc/95/80/77/323958077.db2.gz BKYRPNSGYKSQGU-GFCCVEGCSA-N 0 0 208.257 2.173 10 0 BEAERN CCCc1noc(C[C@]2(O)CCC[C@@H]2C)n1 ZINC000536952665 323958894 /nfs/dbraw/zinc/95/88/94/323958894.db2.gz DNELVNUJDHIXFQ-JOYOIKCWSA-N 0 0 224.304 2.116 10 0 BEAERN Cc1ccc([C@H](C[NH3+])C2(C(=O)[O-])CCC2)cc1 ZINC000536955440 323965222 /nfs/dbraw/zinc/96/52/22/323965222.db2.gz ZOKUPEXHJGEJCQ-LBPRGKRZSA-N 0 0 233.311 2.292 10 0 BEAERN CS(C)(=O)=Nc1cc(F)c(F)c(F)c1 ZINC000536956441 323967089 /nfs/dbraw/zinc/96/70/89/323967089.db2.gz WHDDRVFRWAGOHB-UHFFFAOYSA-N 0 0 223.219 2.463 10 0 BEAERN C[C@@H]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536956547 323967185 /nfs/dbraw/zinc/96/71/85/323967185.db2.gz ZCPBBEOXWYLSRF-NOZJJQNGSA-N 0 0 236.315 2.431 10 0 BEAERN C[C@H](CCCO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000122465866 324045959 /nfs/dbraw/zinc/04/59/59/324045959.db2.gz QEEABQMDWTWWGE-BNOWGMLFSA-N 0 0 247.338 2.067 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(OC)ncn1 ZINC000126019167 324674521 /nfs/dbraw/zinc/67/45/21/324674521.db2.gz ISWATPLEQAIHNK-IUCAKERBSA-N 0 0 207.277 2.086 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000127038531 324740109 /nfs/dbraw/zinc/74/01/09/324740109.db2.gz CEQDHTZQKOUMKP-LMLFDSFASA-N 0 0 210.321 2.082 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)C ZINC000127058284 324742360 /nfs/dbraw/zinc/74/23/60/324742360.db2.gz JEELMLZEWDZEGM-VHSXEESVSA-N 0 0 215.293 2.031 10 0 BEAERN CC[C@@H](CSC)NC(=O)OC(C)C ZINC000127837333 324790094 /nfs/dbraw/zinc/79/00/94/324790094.db2.gz YFXVLYZEBKLAGM-QMMMGPOBSA-N 0 0 205.323 2.263 10 0 BEAERN CC[C@](C)(CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000128214677 324812769 /nfs/dbraw/zinc/81/27/69/324812769.db2.gz UMMOTMCILCPDIO-VNHYZAJKSA-N 0 0 247.338 2.067 10 0 BEAERN CCCn1nccc1NC(=O)[C@@H](CC)SC ZINC000128354178 324828910 /nfs/dbraw/zinc/82/89/10/324828910.db2.gz PMBSIHJCKQYDDS-SECBINFHSA-N 0 0 241.360 2.373 10 0 BEAERN CC(=O)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000128837678 324891015 /nfs/dbraw/zinc/89/10/15/324891015.db2.gz JKYHNRPBMNOUFV-HONMWMINSA-N 0 0 245.322 2.274 10 0 BEAERN CCC(CC)CC(=O)NCCn1cc(C)cn1 ZINC000130584410 325068811 /nfs/dbraw/zinc/06/88/11/325068811.db2.gz ZYOLCXKSHNWNTM-UHFFFAOYSA-N 0 0 237.347 2.134 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(O)c1 ZINC000130637576 325075619 /nfs/dbraw/zinc/07/56/19/325075619.db2.gz WLUNDRUAEFBOJG-SKDRFNHKSA-N 0 0 235.283 2.207 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)NC(C)(C)C ZINC000130851847 325094621 /nfs/dbraw/zinc/09/46/21/325094621.db2.gz YHIOJTYAEYPIPS-VIFPVBQESA-N 0 0 200.326 2.376 10 0 BEAERN CCOCCCC(=O)NCCC1=CCCC1 ZINC000130979315 325105569 /nfs/dbraw/zinc/10/55/69/325105569.db2.gz AOVINFHPNHUFRG-UHFFFAOYSA-N 0 0 225.332 2.420 10 0 BEAERN CCCCCNC(=O)CSC1CCOCC1 ZINC000131057611 325111796 /nfs/dbraw/zinc/11/17/96/325111796.db2.gz AOSNJKIDCWTLJY-UHFFFAOYSA-N 0 0 245.388 2.205 10 0 BEAERN COC[C@H](C)CNc1cccc(NC(C)=O)c1 ZINC000131688541 325177951 /nfs/dbraw/zinc/17/79/51/325177951.db2.gz GBMLYFTYEGOPMF-SNVBAGLBSA-N 0 0 236.315 2.339 10 0 BEAERN Cc1cnccc1NC(=O)[C@H](C)C1CCOCC1 ZINC000132364043 325213186 /nfs/dbraw/zinc/21/31/86/325213186.db2.gz DQNKQHSKBAACBP-LLVKDONJSA-N 0 0 248.326 2.391 10 0 BEAERN Cc1cnccc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000132363825 325213295 /nfs/dbraw/zinc/21/32/95/325213295.db2.gz DQNKQHSKBAACBP-NSHDSACASA-N 0 0 248.326 2.391 10 0 BEAERN CC[C@H](C)c1csc(N2CCOCC2)n1 ZINC000132489365 325221612 /nfs/dbraw/zinc/22/16/12/325221612.db2.gz JNRRHHLTTFHIJD-VIFPVBQESA-N 0 0 226.345 2.493 10 0 BEAERN CCc1noc(C)c1NC(=O)c1ccc(C)n1C ZINC000132822846 325247632 /nfs/dbraw/zinc/24/76/32/325247632.db2.gz WQZQNBVUSVCCIT-UHFFFAOYSA-N 0 0 247.298 2.445 10 0 BEAERN CCc1noc(C)c1NC(=O)c1cc[nH]c1 ZINC000132942045 325255915 /nfs/dbraw/zinc/25/59/15/325255915.db2.gz MEHCQKZJPLFIIU-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000133211184 325277625 /nfs/dbraw/zinc/27/76/25/325277625.db2.gz AIVZEZDVCFSZRR-GMSGAONNSA-N 0 0 238.287 2.051 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000133313258 325285854 /nfs/dbraw/zinc/28/58/54/325285854.db2.gz IXLZEVSCZNPBAW-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN CCc1onc(C)c1C(=O)N(C)c1ccccn1 ZINC000134577634 325366048 /nfs/dbraw/zinc/36/60/48/325366048.db2.gz DGKDXHZDCUUFQZ-UHFFFAOYSA-N 0 0 245.282 2.217 10 0 BEAERN CSCCCC(=O)NCc1cccc(C)n1 ZINC000134642654 325369529 /nfs/dbraw/zinc/36/95/29/325369529.db2.gz VEEFSARZUGFGPL-UHFFFAOYSA-N 0 0 238.356 2.149 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)[C@H](C)OC ZINC000134721751 325373447 /nfs/dbraw/zinc/37/34/47/325373447.db2.gz YKMVKSKWSDYPKT-WDEREUQCSA-N 0 0 213.321 2.203 10 0 BEAERN CSCCCC(=O)NCc1ncccc1C ZINC000134852322 325379245 /nfs/dbraw/zinc/37/92/45/325379245.db2.gz WLDSVWQGSFHIMF-UHFFFAOYSA-N 0 0 238.356 2.149 10 0 BEAERN CCC[C@@H]1SCCN1C(=O)CCSC ZINC000135036548 325390033 /nfs/dbraw/zinc/39/00/33/325390033.db2.gz LYUKAVIRBVLEHX-JTQLQIEISA-N 0 0 233.402 2.441 10 0 BEAERN CCc1cnccc1C(=O)NCC(C)C ZINC000136057258 325439556 /nfs/dbraw/zinc/43/95/56/325439556.db2.gz AJZYMOLACFCINO-UHFFFAOYSA-N 0 0 206.289 2.030 10 0 BEAERN CCc1cnccc1C(=O)Nc1nnc(C)s1 ZINC000136567554 325460509 /nfs/dbraw/zinc/46/05/09/325460509.db2.gz BMWQWGAJXKMCNH-UHFFFAOYSA-N 0 0 248.311 2.056 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1C ZINC000253552965 325727211 /nfs/dbraw/zinc/72/72/11/325727211.db2.gz WBHWGZCMZBWRKN-SCVCMEIPSA-N 0 0 248.326 2.342 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)CCc1ccccc1 ZINC000268682021 326186979 /nfs/dbraw/zinc/18/69/79/326186979.db2.gz GMUSUTSTDVJQNR-CYBMUJFWSA-N 0 0 249.354 2.142 10 0 BEAERN CCN(C(=O)[C@H]1CC[C@@H](C)O1)c1ccncc1 ZINC000155350627 326193005 /nfs/dbraw/zinc/19/30/05/326193005.db2.gz UUCOVJSLLBZATC-ZYHUDNBSSA-N 0 0 234.299 2.002 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2F)O1 ZINC000155511793 326198007 /nfs/dbraw/zinc/19/80/07/326198007.db2.gz DLWUQYLLASPQPY-CPCISQLKSA-N 0 0 241.237 2.471 10 0 BEAERN CC(C)[N@H+]1C[C@H](NC(=O)C2CCCC2)[C@@H](C)C1 ZINC000155684917 326207732 /nfs/dbraw/zinc/20/77/32/326207732.db2.gz PMZWIOJEMAHAQO-AAEUAGOBSA-N 0 0 238.375 2.022 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000157385219 326272092 /nfs/dbraw/zinc/27/20/92/326272092.db2.gz QZUMMRAPRCUELB-WDEREUQCSA-N 0 0 227.348 2.354 10 0 BEAERN CCc1cnc(NC(=O)[C@@H]2CC[C@@H](C)O2)s1 ZINC000157685071 326290558 /nfs/dbraw/zinc/29/05/58/326290558.db2.gz VMQVPVZFKDLJOT-APPZFPTMSA-N 0 0 240.328 2.212 10 0 BEAERN CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073894989 487983233 /nfs/dbraw/zinc/98/32/33/487983233.db2.gz FTSJVFVAMPLULY-RNFRBKRXSA-N 0 0 224.226 2.037 10 0 BEAERN COC(=O)C1CCC([C@H](C)OC)CC1 ZINC000584600223 488018241 /nfs/dbraw/zinc/01/82/41/488018241.db2.gz APOAXTPVBFXXFY-IDKOKCKLSA-N 0 0 200.278 2.001 10 0 BEAERN CC1(C)[C@@H]2C[C@H]1C(CCOC(=O)NO)=CC2 ZINC000584658579 488020651 /nfs/dbraw/zinc/02/06/51/488020651.db2.gz HLEUFMMIGVAJCI-UWVGGRQHSA-N 0 0 225.288 2.484 10 0 BEAERN OCCc1c(Cl)ncnc1-c1ccccc1 ZINC000147490748 488029358 /nfs/dbraw/zinc/02/93/58/488029358.db2.gz OFZVSMGCOSSTOT-UHFFFAOYSA-N 0 0 234.686 2.332 10 0 BEAERN CCCC[C@H](CC)C(=O)NCC1CC(O)C1 ZINC000084446533 488052183 /nfs/dbraw/zinc/05/21/83/488052183.db2.gz NLHWJUWTTNYXJH-CXQJBGSLSA-N 0 0 227.348 2.090 10 0 BEAERN CCc1cc(CC)nc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000672167086 488099783 /nfs/dbraw/zinc/09/97/83/488099783.db2.gz KDURZZGMFHTJPY-OLZOCXBDSA-N 0 0 249.358 2.317 10 0 BEAERN CC[C@@H](C)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000300810366 487536407 /nfs/dbraw/zinc/53/64/07/487536407.db2.gz YBNLMXZQIYDFEC-SECBINFHSA-N 0 0 222.288 2.010 10 0 BEAERN CC[C@H](C)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000300810367 487536769 /nfs/dbraw/zinc/53/67/69/487536769.db2.gz YBNLMXZQIYDFEC-VIFPVBQESA-N 0 0 222.288 2.010 10 0 BEAERN COC1(C(=O)N[C@@H](C)C(C)C)CCCC1 ZINC000683112613 488114440 /nfs/dbraw/zinc/11/44/40/488114440.db2.gz VOQYIJBODDSBSJ-JTQLQIEISA-N 0 0 213.321 2.106 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000677807366 488127988 /nfs/dbraw/zinc/12/79/88/488127988.db2.gz IERHYXDTVYSLEH-NXEZZACHSA-N 0 0 231.299 2.278 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000680186403 487541894 /nfs/dbraw/zinc/54/18/94/487541894.db2.gz RARRPQHDBRENQH-UBHSHLNASA-N 0 0 247.338 2.210 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000680186398 487542342 /nfs/dbraw/zinc/54/23/42/487542342.db2.gz RARRPQHDBRENQH-FPMFFAJLSA-N 0 0 247.338 2.210 10 0 BEAERN Cn1c2ccccc2nc1N[C@H]1CCC[C@H](O)C1 ZINC000677807658 487503523 /nfs/dbraw/zinc/50/35/23/487503523.db2.gz MNCZFKFPZNEGCX-QWRGUYRKSA-N 0 0 245.326 2.289 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc2ccc(N)cc2s1 ZINC000149276712 487512292 /nfs/dbraw/zinc/51/22/92/487512292.db2.gz SKFLTKHWZGMLSH-APPZFPTMSA-N 0 0 249.339 2.468 10 0 BEAERN CC(C)[C@H](C)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000086573502 487519503 /nfs/dbraw/zinc/51/95/03/487519503.db2.gz QATNVRUJXMFZKD-JTQLQIEISA-N 0 0 213.321 2.218 10 0 BEAERN Cc1ncccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667913044 488155676 /nfs/dbraw/zinc/15/56/76/488155676.db2.gz WEBRVNWJVYTVAH-YPMHNXCESA-N 0 0 218.300 2.369 10 0 BEAERN CC1(C)[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC000379513991 488141727 /nfs/dbraw/zinc/14/17/27/488141727.db2.gz TVBAUFQNDZFFHH-ZGIVBDMPSA-N 0 0 219.328 2.147 10 0 BEAERN CCOc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC000667906902 488152097 /nfs/dbraw/zinc/15/20/97/488152097.db2.gz ATTITONXUBETCW-NWDGAFQWSA-N 0 0 248.326 2.460 10 0 BEAERN Cc1cncc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667912383 488154519 /nfs/dbraw/zinc/15/45/19/488154519.db2.gz HDTOJHBGWLIBOU-CHWSQXEVSA-N 0 0 218.300 2.369 10 0 BEAERN COC[C@H](C)Nc1cccc(C(=O)OC)c1C ZINC000053173708 488166937 /nfs/dbraw/zinc/16/69/37/488166937.db2.gz VFAVFCQDIUVDDE-VIFPVBQESA-N 0 0 237.299 2.228 10 0 BEAERN CC(C)(C)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000019395193 488228700 /nfs/dbraw/zinc/22/87/00/488228700.db2.gz ISDDBFDDZBFPIT-NSHDSACASA-N 0 0 232.327 2.186 10 0 BEAERN C[C@@H](CO)CN1c2ccccc2C[C@@H]1C ZINC000120581243 490065030 /nfs/dbraw/zinc/06/50/30/490065030.db2.gz JLBIPTQEYRHPHE-MNOVXSKESA-N 0 0 205.301 2.066 10 0 BEAERN COc1cccc2c1CCC1=C2CCC(=O)N1 ZINC000039019849 490116166 /nfs/dbraw/zinc/11/61/66/490116166.db2.gz CYRMXBGKUMFLJH-UHFFFAOYSA-N 0 0 229.279 2.263 10 0 BEAERN O=C(Cc1ccccc1)Cc1cccnc1 ZINC000053130208 490132107 /nfs/dbraw/zinc/13/21/07/490132107.db2.gz IOARNLGXQCFTFC-UHFFFAOYSA-N 0 0 211.264 2.436 10 0 BEAERN COC(=O)CCC/C=C/C[C@@H]1CCCOC1=O ZINC000222949178 490246114 /nfs/dbraw/zinc/24/61/14/490246114.db2.gz MGQNTQGLKHJKAE-JRBALWBOSA-N 0 0 240.299 2.229 10 0 BEAERN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H](C)C(C)C)C1(C)C ZINC000124804889 490403938 /nfs/dbraw/zinc/40/39/38/490403938.db2.gz CZOXESJTBAJTHN-ADEWGFFLSA-N 0 0 239.359 2.398 10 0 BEAERN c1cn(C[C@H]2CCc3ccccc3C2)nn1 ZINC000128043688 490569512 /nfs/dbraw/zinc/56/95/12/490569512.db2.gz LLMDDSBNSZAYOW-NSHDSACASA-N 0 0 213.284 2.083 10 0 BEAERN Cc1nc([C@@H](C)NC2CSC2)cs1 ZINC000306472918 490639200 /nfs/dbraw/zinc/63/92/00/490639200.db2.gz UHIBMGPXFZTKGK-ZCFIWIBFSA-N 0 0 214.359 2.218 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cc(C(C)(C)C)ncn1 ZINC000310361225 491060902 /nfs/dbraw/zinc/06/09/02/491060902.db2.gz KIAWXAKVGSJTGM-UWVGGRQHSA-N 0 0 235.331 2.363 10 0 BEAERN C[C@H]1CCCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000652442039 491085161 /nfs/dbraw/zinc/08/51/61/491085161.db2.gz DBECRZOFQLDYHO-NSHDSACASA-N 0 0 248.326 2.402 10 0 BEAERN CCOC(=O)Nc1ccc2n[nH]cc2c1 ZINC000020495687 491103822 /nfs/dbraw/zinc/10/38/22/491103822.db2.gz PVCHAZNZUGKACY-UHFFFAOYSA-N 0 0 205.217 2.131 10 0 BEAERN CC(C)c1nsc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000309341016 491148050 /nfs/dbraw/zinc/14/80/50/491148050.db2.gz KIAZLNVSTQGAKR-RKDXNWHRSA-N 0 0 241.360 2.377 10 0 BEAERN CCC[C@@H](O)Cc1nc([C@H](C)CC)no1 ZINC000082563099 491148361 /nfs/dbraw/zinc/14/83/61/491148361.db2.gz MKRXDSWLBWACNF-RKDXNWHRSA-N 0 0 212.293 2.287 10 0 BEAERN CCc1nc(C(=O)[C@H]2C[C@H]2C)sc1N ZINC000757121710 582497532 /nfs/dbraw/zinc/49/75/32/582497532.db2.gz BRBLRBXSRAXVKM-RITPCOANSA-N 0 0 210.302 2.126 10 0 BEAERN CCCCC(=O)c1nc(CNC)cs1 ZINC000757123725 582498442 /nfs/dbraw/zinc/49/84/42/582498442.db2.gz JMKUBPLRBRZTQU-UHFFFAOYSA-N 0 0 212.318 2.235 10 0 BEAERN COC[C@@H](C)Nc1ccc2c(c1)CCN2C ZINC000757126820 582501571 /nfs/dbraw/zinc/50/15/71/582501571.db2.gz HDYFEEMAIBZOKI-SNVBAGLBSA-N 0 0 220.316 2.126 10 0 BEAERN CC[C@@H](C)[C@H](O)c1nc(C(C)=O)cs1 ZINC000757130212 582505369 /nfs/dbraw/zinc/50/53/69/582505369.db2.gz OEFGWKRDWIQBNE-MUWHJKNJSA-N 0 0 213.302 2.425 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1nc(C(C)=O)cs1 ZINC000757130210 582505402 /nfs/dbraw/zinc/50/54/02/582505402.db2.gz OEFGWKRDWIQBNE-HZGVNTEJSA-N 0 0 213.302 2.425 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ccc2c(c1)CCN2C ZINC000757133877 582510411 /nfs/dbraw/zinc/51/04/11/582510411.db2.gz VKNCKGVCIVOJOD-SKDRFNHKSA-N 0 0 202.301 2.499 10 0 BEAERN CCC[C@@H]1CC[NH2+][C@]2(COC(C)(C)C2)O1 ZINC000757153862 582537923 /nfs/dbraw/zinc/53/79/23/582537923.db2.gz YDKKUUNLANPEIC-PWSUYJOCSA-N 0 0 213.321 2.060 10 0 BEAERN CSC[C@@H](Cc1ccc(Cl)c(C)c1)NN ZINC000757155936 582539580 /nfs/dbraw/zinc/53/95/80/582539580.db2.gz FQANKHOBJXDPHJ-SNVBAGLBSA-N 0 0 244.791 2.386 10 0 BEAERN Cc1ccoc1CSc1cncc(N)n1 ZINC000757165419 582547262 /nfs/dbraw/zinc/54/72/62/582547262.db2.gz KWUDPQCPXXPKAJ-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CC[C@]1(C)[C@@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168749 582550140 /nfs/dbraw/zinc/55/01/40/582550140.db2.gz MCCMQTOGEMHFPC-AUTRQRHGSA-N 0 0 229.320 2.061 10 0 BEAERN CCOc1cc(N[C@H](C)C(C)C)ncn1 ZINC000085485655 535687035 /nfs/dbraw/zinc/68/70/35/535687035.db2.gz ODFHPHBYBIMACN-SECBINFHSA-N 0 0 209.293 2.332 10 0 BEAERN CCc1cc2ccc(CO)cc2nc1OC ZINC000090727996 517844227 /nfs/dbraw/zinc/84/42/27/517844227.db2.gz WTSZZARSXMRRLP-UHFFFAOYSA-N 0 0 217.268 2.298 10 0 BEAERN COCc1ccccc1Cc1cnc(N)s1 ZINC000049511239 518097898 /nfs/dbraw/zinc/09/78/98/518097898.db2.gz UZZVLPXBGVBPQV-UHFFFAOYSA-N 0 0 234.324 2.463 10 0 BEAERN CCO[C@H]1CCCC[C@@H]1CC(=O)OC ZINC000085396275 520524842 /nfs/dbraw/zinc/52/48/42/520524842.db2.gz SKOMMVNYXOLGGZ-ZJUUUORDSA-N 0 0 200.278 2.145 10 0 BEAERN CCCc1noc(NCc2cccnc2)n1 ZINC000057353971 521592521 /nfs/dbraw/zinc/59/25/21/521592521.db2.gz FKQJLEKVKZWRGJ-UHFFFAOYSA-N 0 0 218.260 2.029 10 0 BEAERN CN(C)[C@@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000095532623 522009344 /nfs/dbraw/zinc/00/93/44/522009344.db2.gz VFIQNDAIHASCGQ-SECBINFHSA-N 0 0 247.125 2.081 10 0 BEAERN CC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000336006960 534608997 /nfs/dbraw/zinc/60/89/97/534608997.db2.gz JGEDRLCNEMKEJY-UWVGGRQHSA-N 0 0 210.321 2.226 10 0 BEAERN COCCNc1nc(-c2cccc(C)c2)no1 ZINC000053751157 523966112 /nfs/dbraw/zinc/96/61/12/523966112.db2.gz DQWLELQLYSUTRT-UHFFFAOYSA-N 0 0 233.271 2.103 10 0 BEAERN CCc1ccc([C@H](C(=O)OC)N(C)C)cc1 ZINC000095532756 524041982 /nfs/dbraw/zinc/04/19/82/524041982.db2.gz NWOLVSRCATXHNQ-GFCCVEGCSA-N 0 0 221.300 2.025 10 0 BEAERN Cc1noc(C)c1[C@@H](O)c1ccccc1 ZINC000062709831 526567194 /nfs/dbraw/zinc/56/71/94/526567194.db2.gz RZHSEELJPXENBZ-LBPRGKRZSA-N 0 0 203.241 2.373 10 0 BEAERN NCC(F)(F)c1cc(-c2ccccc2)n[nH]1 ZINC000238852889 527161926 /nfs/dbraw/zinc/16/19/26/527161926.db2.gz HRGUVCVEUIPNSB-UHFFFAOYSA-N 0 0 223.226 2.127 10 0 BEAERN CCCC(CCC)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000401934071 527994061 /nfs/dbraw/zinc/99/40/61/527994061.db2.gz DLDPTLQRMWUSLQ-YPMHNXCESA-N 0 0 241.375 2.432 10 0 BEAERN CCOP(=O)(CN(C)CC)OCC ZINC000504418672 529087094 /nfs/dbraw/zinc/08/70/94/529087094.db2.gz KMWJPFATBVIYQA-UHFFFAOYSA-N 0 0 209.226 2.162 10 0 BEAERN CCSCCCNC(=O)OC(C)C ZINC000300874675 529177006 /nfs/dbraw/zinc/17/70/06/529177006.db2.gz FFLJPUPKVMSXLW-UHFFFAOYSA-N 0 0 205.323 2.264 10 0 BEAERN CCC(CC)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190396793 535065748 /nfs/dbraw/zinc/06/57/48/535065748.db2.gz XAWVEXLQXFKJDR-GXSJLCMTSA-N 0 0 213.321 2.106 10 0 BEAERN CC(C)Nc1ncnc(N2CCC(C)CC2)c1N ZINC000040708053 535291935 /nfs/dbraw/zinc/29/19/35/535291935.db2.gz MMNKOVXIEZICDZ-UHFFFAOYSA-N 0 0 249.362 2.115 10 0 BEAERN CCCCOCCN[C@@H](C)c1ncc(C)o1 ZINC000220923513 535313507 /nfs/dbraw/zinc/31/35/07/535313507.db2.gz FCEJHLBGYIWVIF-NSHDSACASA-N 0 0 226.320 2.450 10 0 BEAERN CC(C)c1cc(NC(=O)N2C[C@H]3CCC[C@H]32)no1 ZINC000329910992 535338057 /nfs/dbraw/zinc/33/80/57/535338057.db2.gz AHRZKELRUDKCAC-NXEZZACHSA-N 0 0 249.314 2.236 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000154541606 535340714 /nfs/dbraw/zinc/34/07/14/535340714.db2.gz APFXUMCXKBMZER-WCQYABFASA-N 0 0 249.285 2.024 10 0 BEAERN CCC(=O)c1ccc(O[C@H](C)[C@H](C)O)cc1 ZINC000087131021 535343387 /nfs/dbraw/zinc/34/33/87/535343387.db2.gz VKNPKSWJLPXBTI-VHSXEESVSA-N 0 0 222.284 2.427 10 0 BEAERN CCO[C@H](C)c1nc([C@@H]2CCCO2)no1 ZINC000408227588 535567401 /nfs/dbraw/zinc/56/74/01/535567401.db2.gz XVLLUSNBMMOSAL-SFYZADRCSA-N 0 0 212.249 2.019 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000225661077 535597418 /nfs/dbraw/zinc/59/74/18/535597418.db2.gz FYMHFUIYPKWWGX-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178339596 535598248 /nfs/dbraw/zinc/59/82/48/535598248.db2.gz ZSBMTPZIAFECDB-BPNCWPANSA-N 0 0 247.338 2.197 10 0 BEAERN CCOC(=O)N1CCCc2ccc(N)cc21 ZINC000051296560 535775705 /nfs/dbraw/zinc/77/57/05/535775705.db2.gz MXDQMWHAXGYMIN-UHFFFAOYSA-N 0 0 220.272 2.178 10 0 BEAERN CC[C@@H]1COCCN1c1ccc(C)cc1N ZINC000036322948 535836917 /nfs/dbraw/zinc/83/69/17/535836917.db2.gz ZUUVIYLCCSHGKN-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@@H]1C[C@H](C(=O)N[C@@H](C)C(C)C)CCO1 ZINC000182394902 535884295 /nfs/dbraw/zinc/88/42/95/535884295.db2.gz KKRXNQLHHDQMIX-QJPTWQEYSA-N 0 0 227.348 2.352 10 0 BEAERN CC[C@@](C)(CCO)Nc1ncc(Cl)cn1 ZINC000230216145 535978507 /nfs/dbraw/zinc/97/85/07/535978507.db2.gz UFNCKZMSLVNRTA-JTQLQIEISA-N 0 0 229.711 2.093 10 0 BEAERN CC[C@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177148431 536107886 /nfs/dbraw/zinc/10/78/86/536107886.db2.gz RGLDUUSQTSKELY-WCQYABFASA-N 0 0 249.358 2.229 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1cccc(N)c1 ZINC000036131703 536171842 /nfs/dbraw/zinc/17/18/42/536171842.db2.gz LCJAIWZLEKDHLA-PWSUYJOCSA-N 0 0 220.316 2.273 10 0 BEAERN COC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000335992363 536559221 /nfs/dbraw/zinc/55/92/21/536559221.db2.gz TZBOQKJBDQGJJV-NWDGAFQWSA-N 0 0 239.359 2.450 10 0 BEAERN CC[C@@H](C(=O)[C@@H](C)OC)C(=O)C(C)(C)C ZINC000725257094 538061549 /nfs/dbraw/zinc/06/15/49/538061549.db2.gz ICBXKGZWVRSNSR-BDAKNGLRSA-N 0 0 214.305 2.232 10 0 BEAERN Cn1nccc1-c1cc(N)c2sccc2n1 ZINC000725257051 538060290 /nfs/dbraw/zinc/06/02/90/538060290.db2.gz HBJSHBDRLMEBOJ-UHFFFAOYSA-N 0 0 230.296 2.279 10 0 BEAERN O=C(NC[C@H]1CCCc2ccccc2N1)C1CC1 ZINC000725262982 538089097 /nfs/dbraw/zinc/08/90/97/538089097.db2.gz ZLRGTMBSRQQVEX-CYBMUJFWSA-N 0 0 244.338 2.330 10 0 BEAERN O=C(OCC(F)(F)C(F)(F)F)n1ccnc1 ZINC000169804802 566334739 /nfs/dbraw/zinc/33/47/39/566334739.db2.gz IUAFCLHNYFAFPK-UHFFFAOYSA-N 0 0 244.119 2.065 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CC12CCC(=O)CC2 ZINC000217101764 566341372 /nfs/dbraw/zinc/34/13/72/566341372.db2.gz KJKFDUASZGJGCD-JTQLQIEISA-N 0 0 239.315 2.413 10 0 BEAERN C[NH2+]Cc1occ(CC(C)(C)C)c1C(=O)[O-] ZINC000675051905 566374970 /nfs/dbraw/zinc/37/49/70/566374970.db2.gz XAUHXEIEAIKNGU-UHFFFAOYSA-N 0 0 225.288 2.286 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCCC[C@H]1C(C)C ZINC000669376055 566422050 /nfs/dbraw/zinc/42/20/50/566422050.db2.gz CWXOTTHNFPOJIH-QWRGUYRKSA-N 0 0 233.377 2.141 10 0 BEAERN Fc1cc2c(-c3cncnc3)c[nH]c2cn1 ZINC000669381474 566426868 /nfs/dbraw/zinc/42/68/68/566426868.db2.gz KQRVYGPKIGFUMG-UHFFFAOYSA-N 0 0 214.203 2.159 10 0 BEAERN CCOC(=O)c1cnc(CSC)nc1CC ZINC000230389223 566489723 /nfs/dbraw/zinc/48/97/23/566489723.db2.gz CXMIIHQGJOIDTM-UHFFFAOYSA-N 0 0 240.328 2.079 10 0 BEAERN CC(C(=O)C(C)(F)F)=C(O)[C@H]1CC1(C)C ZINC000397573380 583102229 /nfs/dbraw/zinc/10/22/29/583102229.db2.gz FLEDBZXCPZHXTL-RNFRBKRXSA-N 0 0 218.243 2.462 10 0 BEAERN COC[C@H](C)C(=O)OCCc1ccc(F)cc1 ZINC000111992034 588777885 /nfs/dbraw/zinc/77/78/85/588777885.db2.gz XJWGORHHRUNNQF-JTQLQIEISA-N 0 0 240.274 2.194 10 0 BEAERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)C1CC1 ZINC000112119797 588782586 /nfs/dbraw/zinc/78/25/86/588782586.db2.gz AUSWSVGXFSYKSB-NSHDSACASA-N 0 0 246.306 2.388 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CSCCS1)C(C)(C)C ZINC000112251350 588788936 /nfs/dbraw/zinc/78/89/36/588788936.db2.gz ANSYKPSHQZRDLR-BDAKNGLRSA-N 0 0 247.429 2.386 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)NC/C=C/c1ccccc1 ZINC000112585587 588804503 /nfs/dbraw/zinc/80/45/03/588804503.db2.gz QJLCUJCWXDYZPJ-UCYCBVHCSA-N 0 0 215.296 2.472 10 0 BEAERN CCONC(=O)c1ccc(C)c(OCC)c1 ZINC000113144773 588825842 /nfs/dbraw/zinc/82/58/42/588825842.db2.gz ZWZIUFUZRYXYEO-UHFFFAOYSA-N 0 0 223.272 2.075 10 0 BEAERN Clc1cccn2c(Br)nnc12 ZINC000213967078 582457274 /nfs/dbraw/zinc/45/72/74/582457274.db2.gz PPHJVIPBYNUVNN-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CCCC(C)(C)C2 ZINC000234585504 582460579 /nfs/dbraw/zinc/46/05/79/582460579.db2.gz SHHHWEORDRGSBC-GHMZBOCLSA-N 0 0 232.707 2.464 10 0 BEAERN CC(C)C(C)(C)Cn1cc(N)ccc1=O ZINC000713231271 582468231 /nfs/dbraw/zinc/46/82/31/582468231.db2.gz UQSDKAZYANGBJL-UHFFFAOYSA-N 0 0 208.305 2.113 10 0 BEAERN CCCC[C@H](O)c1ncc(C(=O)OC)s1 ZINC000757122812 582497730 /nfs/dbraw/zinc/49/77/30/582497730.db2.gz FJMGPISKGNLCCX-ZETCQYMHSA-N 0 0 229.301 2.153 10 0 BEAERN CC(C)(F)C(=O)c1ncc(C2OCCO2)s1 ZINC000757123709 582498508 /nfs/dbraw/zinc/49/85/08/582498508.db2.gz JHBBPDJAVMQNOW-UHFFFAOYSA-N 0 0 245.275 2.119 10 0 BEAERN CC(C)C(=O)c1nc(C2(C)OCCO2)cs1 ZINC000757123890 582498630 /nfs/dbraw/zinc/49/86/30/582498630.db2.gz KWQVEXVMZQTWDB-UHFFFAOYSA-N 0 0 241.312 2.201 10 0 BEAERN CC[C@H](C)[C@@H](O)c1ncc(C(=O)OC)s1 ZINC000757125732 582500145 /nfs/dbraw/zinc/50/01/45/582500145.db2.gz TUXBJQFAMSUFAQ-POYBYMJQSA-N 0 0 229.301 2.009 10 0 BEAERN C[C@H](O)CCCNc1ccc2c(c1)CCN2C ZINC000757125664 582500229 /nfs/dbraw/zinc/50/02/29/582500229.db2.gz FITHDZVQROGJKP-NSHDSACASA-N 0 0 234.343 2.252 10 0 BEAERN CC(=O)c1csc([C@H](O)[C@H]2C[C@H]2C)n1 ZINC000757126445 582500958 /nfs/dbraw/zinc/50/09/58/582500958.db2.gz HOOBCYGVCHMYBR-XZKCWBSRSA-N 0 0 211.286 2.035 10 0 BEAERN CC[C@H](C)C(=O)c1nc(C)c(CO)s1 ZINC000757127188 582502595 /nfs/dbraw/zinc/50/25/95/582502595.db2.gz YDHKHHLWFXUERR-LURJTMIESA-N 0 0 213.302 2.173 10 0 BEAERN COc1ccc2nn3c(c2c1)N[C@@H](C)CC3 ZINC000235011415 582503037 /nfs/dbraw/zinc/50/30/37/582503037.db2.gz LRKSDXOQXLWWKQ-QMMMGPOBSA-N 0 0 217.272 2.249 10 0 BEAERN CC[C@@H](CO)Nc1ccc2c(ccn2C)c1 ZINC000757128008 582503474 /nfs/dbraw/zinc/50/34/74/582503474.db2.gz INJNXYRRHWOWNA-NSHDSACASA-N 0 0 218.300 2.361 10 0 BEAERN CCOC1=N[C@H]([C@@H](C)CC)C(OCC)=NC1 ZINC000757129284 582504766 /nfs/dbraw/zinc/50/47/66/582504766.db2.gz VBCPAUUUYNRNHN-GXSJLCMTSA-N 0 0 226.320 2.285 10 0 BEAERN FCCN1C(=S)N=NC1c1ccccc1F ZINC000757130891 582505473 /nfs/dbraw/zinc/50/54/73/582505473.db2.gz MTIUEHXNRNKXHH-UHFFFAOYSA-N 0 0 241.266 2.342 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757132956 582508158 /nfs/dbraw/zinc/50/81/58/582508158.db2.gz SGUBVWKVUKIDCX-NXEZZACHSA-N 0 0 218.300 2.360 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757132965 582508669 /nfs/dbraw/zinc/50/86/69/582508669.db2.gz SGUBVWKVUKIDCX-VHSXEESVSA-N 0 0 218.300 2.360 10 0 BEAERN FCCN1C(=S)N=NC1c1ccc(F)cc1 ZINC000757133578 582509634 /nfs/dbraw/zinc/50/96/34/582509634.db2.gz SYNIZVPXGZIFCK-UHFFFAOYSA-N 0 0 241.266 2.342 10 0 BEAERN COC(=O)c1sc([C@@H](O)C(C)(C)F)nc1C ZINC000757134310 582511570 /nfs/dbraw/zinc/51/15/70/582511570.db2.gz YFOIXTYAXWBNER-SSDOTTSWSA-N 0 0 247.291 2.020 10 0 BEAERN COc1ccc(C(=O)OC(C)(C)C)c(F)c1N ZINC000757145357 582527481 /nfs/dbraw/zinc/52/74/81/582527481.db2.gz LTUCBSBNYVYXGC-UHFFFAOYSA-N 0 0 241.262 2.372 10 0 BEAERN Cc1ccoc1CSc1ncc(N)cn1 ZINC000757163938 582545553 /nfs/dbraw/zinc/54/55/53/582545553.db2.gz FSMCULQGAZETBL-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1ccoc1CSc1nccnc1N ZINC000757164822 582546726 /nfs/dbraw/zinc/54/67/26/582546726.db2.gz IVSSDFUZIVIDEL-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CCc1ccc(CSCC(=O)COC)o1 ZINC000757166087 582548105 /nfs/dbraw/zinc/54/81/05/582548105.db2.gz OIPVYOKFYDJTJH-UHFFFAOYSA-N 0 0 228.313 2.291 10 0 BEAERN Cc1ccoc1CSC[C@@H](O)CF ZINC000757166002 582548345 /nfs/dbraw/zinc/54/83/45/582548345.db2.gz QJMKJYRIKVLXCG-QMMMGPOBSA-N 0 0 204.266 2.152 10 0 BEAERN CCC1(CC)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O ZINC000757168650 582549394 /nfs/dbraw/zinc/54/93/94/582549394.db2.gz KGSZBYSUAKPKHK-ZJUUUORDSA-N 0 0 243.347 2.451 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C12CCCC2 ZINC000757169088 582549590 /nfs/dbraw/zinc/54/95/90/582549590.db2.gz WXOJCDWRQAYWJJ-NXEZZACHSA-N 0 0 241.331 2.205 10 0 BEAERN Clc1ccc(CS[C@@H]2CNOC2)o1 ZINC000757169930 582550004 /nfs/dbraw/zinc/55/00/04/582550004.db2.gz NLSYFQKDANMUFK-SSDOTTSWSA-N 0 0 219.693 2.070 10 0 BEAERN CC(C)c1ccc(C2(C(=O)[O-])CC([NH3+])C2)cc1 ZINC000757178547 582553645 /nfs/dbraw/zinc/55/36/45/582553645.db2.gz ZDOULOQMRGBGEQ-UHFFFAOYSA-N 0 0 233.311 2.254 10 0 BEAERN CC[N@H+]1C[C@@H](c2ccc(C)cc2C)[C@H](C(=O)[O-])C1 ZINC000757189061 582555413 /nfs/dbraw/zinc/55/54/13/582555413.db2.gz IXTARTWRGPZKOI-UONOGXRCSA-N 0 0 247.338 2.423 10 0 BEAERN COC(=O)[C@@H](CO)C1CCCCCCC1 ZINC000757192730 582557769 /nfs/dbraw/zinc/55/77/69/582557769.db2.gz RIUFWRBDNVKKHE-NSHDSACASA-N 0 0 214.305 2.128 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1[C@@H]1CCCc2ccccc21 ZINC000757194071 582558470 /nfs/dbraw/zinc/55/84/70/582558470.db2.gz VLBUJBGBQGHFQC-HZSPNIEDSA-N 0 0 245.322 2.027 10 0 BEAERN O=C([O-])[C@@H]1[NH2+]CCC[C@H]1c1cccc2cc[nH]c21 ZINC000757217799 582562020 /nfs/dbraw/zinc/56/20/20/582562020.db2.gz SMKROMGUTZBGRK-WCQYABFASA-N 0 0 244.294 2.088 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](c2ccsc2)[NH2+]1 ZINC000757218560 582562509 /nfs/dbraw/zinc/56/25/09/582562509.db2.gz WFGBCZNXWLLJBA-SZEHBUNVSA-N 0 0 225.313 2.262 10 0 BEAERN C[C@@H]1[NH2+]CCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757218726 582563862 /nfs/dbraw/zinc/56/38/62/582563862.db2.gz WRNNDGRTWJLDNB-CABZTGNLSA-N 0 0 219.284 2.240 10 0 BEAERN COCCCNc1ccc(Cl)cc1N ZINC000034974463 582569926 /nfs/dbraw/zinc/56/99/26/582569926.db2.gz RQHYCYWOAOADQZ-UHFFFAOYSA-N 0 0 214.696 2.371 10 0 BEAERN C[C@H]1CCNc2cc(-c3cccnc3)nn21 ZINC000235617422 582596117 /nfs/dbraw/zinc/59/61/17/582596117.db2.gz YJRWFJLOESNXCM-VIFPVBQESA-N 0 0 214.272 2.322 10 0 BEAERN Cc1c([C@H]2CC[C@H](C)O2)nn2c1NCCC2 ZINC000235689626 582601916 /nfs/dbraw/zinc/60/19/16/582601916.db2.gz ZDCANSWJBXXDBY-WCBMZHEXSA-N 0 0 221.304 2.247 10 0 BEAERN Cc1ccsc1[C@@H]1CCNc2c(N)cnn21 ZINC000235799867 582611253 /nfs/dbraw/zinc/61/12/53/582611253.db2.gz WGHALLAICJPTSU-VIFPVBQESA-N 0 0 234.328 2.240 10 0 BEAERN FC(F)(F)c1cn2c(n1)N[C@H](C1CC1)CC2 ZINC000236171462 582640436 /nfs/dbraw/zinc/64/04/36/582640436.db2.gz NLZBLUMHNWTLJV-ZETCQYMHSA-N 0 0 231.221 2.496 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)C1CCCC1 ZINC000234588228 582641488 /nfs/dbraw/zinc/64/14/88/582641488.db2.gz MNUBBIQANFVOLH-NXEZZACHSA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CCCCC2(C)C ZINC000234591906 582642449 /nfs/dbraw/zinc/64/24/49/582642449.db2.gz LAGPCBWBOIDRCD-WDEREUQCSA-N 0 0 232.707 2.464 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@@H](C)C2 ZINC000234600140 582642532 /nfs/dbraw/zinc/64/25/32/582642532.db2.gz JWPZGVPSEGFLOH-JEZHCXPESA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccccc1 ZINC000234593475 582642540 /nfs/dbraw/zinc/64/25/40/582642540.db2.gz KWMQSPQCPXCPFD-QWRGUYRKSA-N 0 0 226.659 2.040 10 0 BEAERN O[C@@H](CCc1ccsc1)c1cn[nH]c1 ZINC000379601858 582682628 /nfs/dbraw/zinc/68/26/28/582682628.db2.gz MGTWGOZYKRGYLH-JTQLQIEISA-N 0 0 208.286 2.137 10 0 BEAERN CC(C)OCn1ncc2ccc(N)cc21 ZINC000308795066 582715476 /nfs/dbraw/zinc/71/54/76/582715476.db2.gz ISONCSNBGMGLCK-UHFFFAOYSA-N 0 0 205.261 2.001 10 0 BEAERN CC(C)C[C@@H](C)n1nc(N)nc1Br ZINC000725249055 582740497 /nfs/dbraw/zinc/74/04/97/582740497.db2.gz YTXHYASTZHXFIZ-ZCFIWIBFSA-N 0 0 247.140 2.230 10 0 BEAERN CCCSCC(=O)OCCc1cccnc1 ZINC000113665961 588848166 /nfs/dbraw/zinc/84/81/66/588848166.db2.gz RSAROCPQVWRGDW-UHFFFAOYSA-N 0 0 239.340 2.311 10 0 BEAERN CCO[C@H](C)C(=O)OCc1ccoc1C ZINC000113677092 588848277 /nfs/dbraw/zinc/84/82/77/588848277.db2.gz ZWXBSZJLADDTHC-SECBINFHSA-N 0 0 212.245 2.056 10 0 BEAERN COC[C@@H](C)OC(=O)Cc1ccc(C)s1 ZINC000113682317 588849913 /nfs/dbraw/zinc/84/99/13/588849913.db2.gz VIGGIUZIIUEJTB-MRVPVSSYSA-N 0 0 228.313 2.177 10 0 BEAERN CCOC(=O)C(C)(C)NC(=O)C=C(CC)CC ZINC000128130290 582858524 /nfs/dbraw/zinc/85/85/24/582858524.db2.gz MZCPJMBENDLQHI-UHFFFAOYSA-N 0 0 241.331 2.191 10 0 BEAERN CC(=O)[C@@H]1CCCN(Cc2nc(C)c(C)o2)C1 ZINC000111690416 582860984 /nfs/dbraw/zinc/86/09/84/582860984.db2.gz OKUIHXMVHJLKFZ-GFCCVEGCSA-N 0 0 236.315 2.092 10 0 BEAERN Cc1ccc([C@H](C)Nc2nc(C)nc(N)n2)s1 ZINC000201433185 582861329 /nfs/dbraw/zinc/86/13/29/582861329.db2.gz OSKVYDVEGYNBAW-ZETCQYMHSA-N 0 0 249.343 2.305 10 0 BEAERN Cc1ccc([C@@H](O)c2cn[nH]c2)cc1Cl ZINC000389704415 582881632 /nfs/dbraw/zinc/88/16/32/582881632.db2.gz KPSPCRHXGNMCKE-LLVKDONJSA-N 0 0 222.675 2.453 10 0 BEAERN C[C@@]1(Cn2cc(Cl)c(N)n2)CC1(F)F ZINC000701724536 582920994 /nfs/dbraw/zinc/92/09/94/582920994.db2.gz LRXFCRHZQNZEKX-ZETCQYMHSA-N 0 0 221.638 2.164 10 0 BEAERN Nc1nn(Cc2ccc(Cl)cn2)cc1Cl ZINC000707359201 582965224 /nfs/dbraw/zinc/96/52/24/582965224.db2.gz GQUVPDQMXUISGC-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN CC(C(=O)C(C)(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397573381 583102371 /nfs/dbraw/zinc/10/23/71/583102371.db2.gz FLEDBZXCPZHXTL-RQJHMYQMSA-N 0 0 218.243 2.462 10 0 BEAERN CC(C(=O)C(F)F)=C(O)[C@H]1CC1(C)C ZINC000397584168 583102625 /nfs/dbraw/zinc/10/26/25/583102625.db2.gz IKUFVYIDDLLKJX-NTSWFWBYSA-N 0 0 204.216 2.072 10 0 BEAERN CC[C@@H](C(=O)[C@H]1CC1(C)C)C(OC)OC ZINC000397730889 583108082 /nfs/dbraw/zinc/10/80/82/583108082.db2.gz YJEQJSLRNWMANJ-DTWKUNHWSA-N 0 0 214.305 2.247 10 0 BEAERN CCn1nc(C)c([C@H](C)NCc2cocn2)c1C ZINC000397921652 583113395 /nfs/dbraw/zinc/11/33/95/583113395.db2.gz LRISDFGYPRCPLJ-VIFPVBQESA-N 0 0 248.330 2.359 10 0 BEAERN CN(CCc1cccs1)c1ncc(C=O)cn1 ZINC000126343131 583209216 /nfs/dbraw/zinc/20/92/16/583209216.db2.gz ZHBQARQRVUZEFB-UHFFFAOYSA-N 0 0 247.323 2.030 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc2[nH]cnc2c1F ZINC000895460149 583678123 /nfs/dbraw/zinc/67/81/23/583678123.db2.gz LMCQQVPLSJVPDT-MRVPVSSYSA-N 0 0 249.289 2.476 10 0 BEAERN COc1cc(OC)cc(OC(=O)C2CCC2)c1 ZINC000121417932 583917097 /nfs/dbraw/zinc/91/70/97/583917097.db2.gz VTGHIGBXQASJEM-UHFFFAOYSA-N 0 0 236.267 2.409 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000250665651 583964437 /nfs/dbraw/zinc/96/44/37/583964437.db2.gz IEPDPPBQRRGFFG-WYFGTUCQSA-N 0 0 212.289 2.143 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccnc(NC2CCC2)c1 ZINC000900540202 584323980 /nfs/dbraw/zinc/32/39/80/584323980.db2.gz HRYGWMYMTVYIOR-SKDRFNHKSA-N 0 0 245.326 2.184 10 0 BEAERN CC(C)CCOC(=O)[C@@H]1CC[C@H](C)O1 ZINC000122231858 584895872 /nfs/dbraw/zinc/89/58/72/584895872.db2.gz QVTUALGFSRCZDR-UWVGGRQHSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@H](C(=O)C1CCC1)C(=O)C(C)(F)F ZINC000323860188 585028999 /nfs/dbraw/zinc/02/89/99/585028999.db2.gz QGHVZAYFZZIWAW-ZCFIWIBFSA-N 0 0 204.216 2.216 10 0 BEAERN COC[C@H](C)C(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000103357860 585096763 /nfs/dbraw/zinc/09/67/63/585096763.db2.gz IQPUYJNPEBBTJO-VWYCJHECSA-N 0 0 214.305 2.391 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccc(OC)cc1 ZINC000103357650 585096774 /nfs/dbraw/zinc/09/67/74/585096774.db2.gz SKDUVSIRSICRTI-SNVBAGLBSA-N 0 0 238.283 2.021 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(C)cc1OC ZINC000103358826 585097176 /nfs/dbraw/zinc/09/71/76/585097176.db2.gz KKSMDCWZXYKXAG-SNVBAGLBSA-N 0 0 238.283 2.192 10 0 BEAERN Cc1ccc(CC(=O)OC[C@@H]2CCCO2)s1 ZINC000103331022 585098123 /nfs/dbraw/zinc/09/81/23/585098123.db2.gz RMKNWCYIIAHHPK-JTQLQIEISA-N 0 0 240.324 2.321 10 0 BEAERN CN(CC(F)F)C(=O)CSC(C)(C)C ZINC000103399815 585100446 /nfs/dbraw/zinc/10/04/46/585100446.db2.gz FAGDQXFQQSPEBF-UHFFFAOYSA-N 0 0 225.304 2.242 10 0 BEAERN CC/C=C/COC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000103651078 586264130 /nfs/dbraw/zinc/26/41/30/586264130.db2.gz LCOJCHLHCVKACO-XMXMHJJKSA-N 0 0 242.315 2.080 10 0 BEAERN CC/C=C/COC(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000103651088 586264171 /nfs/dbraw/zinc/26/41/71/586264171.db2.gz LCOJCHLHCVKACO-RUULKOMLSA-N 0 0 242.315 2.080 10 0 BEAERN CC(C)CCSCC(=O)OC[C@@H]1CCOC1 ZINC000103657414 586271126 /nfs/dbraw/zinc/27/11/26/586271126.db2.gz QGKFAWSBHIUYOA-LLVKDONJSA-N 0 0 246.372 2.345 10 0 BEAERN Cn1nncc1-c1c(Cl)cc(N)cc1Cl ZINC000757569676 586376558 /nfs/dbraw/zinc/37/65/58/586376558.db2.gz ZLSJQMQASLZTHY-UHFFFAOYSA-N 0 0 243.097 2.371 10 0 BEAERN CSCc1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757570303 586381326 /nfs/dbraw/zinc/38/13/26/586381326.db2.gz WPFACKDHSXKDSW-UHFFFAOYSA-N 0 0 234.328 2.395 10 0 BEAERN CCO[C@H](C)c1nc2[nH]ccc2c(N(C)C)n1 ZINC000757569840 586381351 /nfs/dbraw/zinc/38/13/51/586381351.db2.gz VCZXJURQGNCXME-MRVPVSSYSA-N 0 0 234.303 2.121 10 0 BEAERN O[C@@H](CNc1cc2ccccc2[nH]1)C1CC1 ZINC000757136666 586427045 /nfs/dbraw/zinc/42/70/45/586427045.db2.gz OGKKSSQKOVWFPF-LBPRGKRZSA-N 0 0 216.284 2.351 10 0 BEAERN Cc1cc(C[C@]2(O)CCOC2)ccc1Cl ZINC000757156513 586430255 /nfs/dbraw/zinc/43/02/55/586430255.db2.gz IYKXXYZSWMICCX-GFCCVEGCSA-N 0 0 226.703 2.342 10 0 BEAERN Nc1cnn(-c2ccc(O)cc2)c1C(F)F ZINC000757170508 586432909 /nfs/dbraw/zinc/43/29/09/586432909.db2.gz JGQZTFOFFDFEBO-UHFFFAOYSA-N 0 0 225.198 2.098 10 0 BEAERN CCOC(=O)[C@@]1(F)C[C@@H](CC)CCC1=O ZINC000757182869 586433476 /nfs/dbraw/zinc/43/34/76/586433476.db2.gz LYWLGNZEJMTSFL-GZMMTYOYSA-N 0 0 216.252 2.037 10 0 BEAERN C[C@H]1CCC(=O)[C@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183340 586433926 /nfs/dbraw/zinc/43/39/26/586433926.db2.gz OCVLLYPPEJEUFV-UFBFGSQYSA-N 0 0 230.279 2.426 10 0 BEAERN C[C@H]1CCC(=O)[C@@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183338 586434051 /nfs/dbraw/zinc/43/40/51/586434051.db2.gz OCVLLYPPEJEUFV-QPUJVOFHSA-N 0 0 230.279 2.426 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2cc(C)cc(C)c2)C1 ZINC000757185876 586434226 /nfs/dbraw/zinc/43/42/26/586434226.db2.gz DFPVVCGUNFBXKG-KBPBESRZSA-N 0 0 247.338 2.423 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2cccc(C)c2)C1 ZINC000757186235 586434750 /nfs/dbraw/zinc/43/47/50/586434750.db2.gz GALFQMKOWLYPAI-CHWSQXEVSA-N 0 0 233.311 2.115 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C)cc2C)C1 ZINC000757189037 586435052 /nfs/dbraw/zinc/43/50/52/586435052.db2.gz IXTARTWRGPZKOI-KBPBESRZSA-N 0 0 247.338 2.423 10 0 BEAERN CCc1ccccc1[C@H]1C[N@H+](CC)C[C@@H]1C(=O)[O-] ZINC000757189818 586435652 /nfs/dbraw/zinc/43/56/52/586435652.db2.gz KXTOALSYWLWJQZ-KGLIPLIRSA-N 0 0 247.338 2.369 10 0 BEAERN CCOC(=O)/C=C1/CCOC12CCCC2 ZINC000757192008 586435868 /nfs/dbraw/zinc/43/58/68/586435868.db2.gz RXCVCKPZXPQJDR-KTKRTIGZSA-N 0 0 210.273 2.209 10 0 BEAERN COC(=O)/C=C1\CCOc2c(C)cccc21 ZINC000757191963 586436072 /nfs/dbraw/zinc/43/60/72/586436072.db2.gz LXFSODOUKHLYOM-CSKARUKUSA-N 0 0 218.252 2.334 10 0 BEAERN COC(=O)/C=C(\C)c1cnn(C(C)C)c1 ZINC000757191458 586436092 /nfs/dbraw/zinc/43/60/92/586436092.db2.gz HOOXIXSIQLSAHR-WEVVVXLNSA-N 0 0 208.261 2.040 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2cccc(C)c2C)C1 ZINC000757194149 586436396 /nfs/dbraw/zinc/43/63/96/586436396.db2.gz YPUVFINYPPGDAY-ZIAGYGMSSA-N 0 0 247.338 2.423 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1cccc2ccsc21 ZINC000757194227 586436560 /nfs/dbraw/zinc/43/65/60/586436560.db2.gz WSLNUSFWAOGZAC-QWRGUYRKSA-N 0 0 247.319 2.289 10 0 BEAERN C[C@@H]1C[NH2+]C[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757214086 586440154 /nfs/dbraw/zinc/44/01/54/586440154.db2.gz LEEDOYZHIKQSDA-JOYOIKCWSA-N 0 0 219.284 2.098 10 0 BEAERN CC(=O)c1ccc([C@H]2[NH2+]CCC[C@H]2C(=O)[O-])cc1 ZINC000757218895 586442210 /nfs/dbraw/zinc/44/22/10/586442210.db2.gz XKUIGVVIHSTKER-CHWSQXEVSA-N 0 0 247.294 2.015 10 0 BEAERN CC(=O)c1ccc([C@@H]2CC[C@H](C(=O)[O-])C[NH2+]2)cc1 ZINC000757220109 586442351 /nfs/dbraw/zinc/44/23/51/586442351.db2.gz ZXKKPYGKEPRLBC-STQMWFEESA-N 0 0 247.294 2.015 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220833 586442761 /nfs/dbraw/zinc/44/27/61/586442761.db2.gz ZONYZLHPLKQGCA-PWSUYJOCSA-N 0 0 244.294 2.293 10 0 BEAERN Cc1ccc(N)cc1[C@@H]1C[C@H](C(=O)[O-])C[C@H](C)[NH2+]1 ZINC000757235735 586443898 /nfs/dbraw/zinc/44/38/98/586443898.db2.gz MOEGRVXDGQRFHP-CWSCBRNRSA-N 0 0 248.326 2.091 10 0 BEAERN C[C@@H]1CCC[NH2+][C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757239367 586444155 /nfs/dbraw/zinc/44/41/55/586444155.db2.gz UAEZKLIZUVUYJC-BXKDBHETSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1C[C@@H](c2ccc(C(=O)[O-])cc2)CC[NH2+]1 ZINC000757239657 586444231 /nfs/dbraw/zinc/44/42/31/586444231.db2.gz VPIOIRKYOWRIRP-CABZTGNLSA-N 0 0 219.284 2.240 10 0 BEAERN NC(=O)c1ccc(-c2ccccc2C=O)cc1 ZINC000757565958 586461731 /nfs/dbraw/zinc/46/17/31/586461731.db2.gz CPFCWQSKWPXUCN-UHFFFAOYSA-N 0 0 225.247 2.265 10 0 BEAERN Cc1ccccc1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000121366076 587393508 /nfs/dbraw/zinc/39/35/08/587393508.db2.gz MXWLFIJVPBNSGQ-ZYHUDNBSSA-N 0 0 220.268 2.468 10 0 BEAERN COc1ccc(OC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000121382787 587494437 /nfs/dbraw/zinc/49/44/37/587494437.db2.gz IHCFUCVNYNHUCZ-CABZTGNLSA-N 0 0 236.267 2.168 10 0 BEAERN Cc1ccc2nc(C(F)(F)F)c(C=O)n2c1 ZINC000001527925 587689940 /nfs/dbraw/zinc/68/99/40/587689940.db2.gz NFXXQDJGNOQHKK-UHFFFAOYSA-N 0 0 228.173 2.474 10 0 BEAERN CCCCOC(=O)c1cc(C)nn1CC ZINC000101708847 587766769 /nfs/dbraw/zinc/76/67/69/587766769.db2.gz IEYGQGKUPVYYDD-UHFFFAOYSA-N 0 0 210.277 2.168 10 0 BEAERN CC(=O)c1cccc(OC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000121410768 587804680 /nfs/dbraw/zinc/80/46/80/587804680.db2.gz WKTNUKBOAQNWPZ-RNCFNFMXSA-N 0 0 248.278 2.362 10 0 BEAERN COc1ccc(COC(=O)c2ncoc2C)cc1 ZINC000121526266 588078811 /nfs/dbraw/zinc/07/88/11/588078811.db2.gz VIWAZVHZPZWQSE-UHFFFAOYSA-N 0 0 247.250 2.349 10 0 BEAERN O=C(OCCc1cccnc1)C1CCCC1 ZINC000105555629 588200525 /nfs/dbraw/zinc/20/05/25/588200525.db2.gz XCWPOFVJKZGBEJ-UHFFFAOYSA-N 0 0 219.284 2.358 10 0 BEAERN COCCC1(C(=O)OCC[C@H](C)OC)CCC1 ZINC000121566841 588228934 /nfs/dbraw/zinc/22/89/34/588228934.db2.gz VADCCGYNGGUNLB-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN CCCC(=O)OCCC[C@H]1CCCO1 ZINC000005819617 588281498 /nfs/dbraw/zinc/28/14/98/588281498.db2.gz BAEVROZWRARQSZ-SNVBAGLBSA-N 0 0 200.278 2.289 10 0 BEAERN CCCOCCOC(=O)c1cc(C(C)C)[nH]n1 ZINC000107413042 588362602 /nfs/dbraw/zinc/36/26/02/588362602.db2.gz AYRDEGYLNGMWCQ-UHFFFAOYSA-N 0 0 240.303 2.117 10 0 BEAERN COC[C@H](C)C(=O)OCCc1ccccc1F ZINC000108627209 588479336 /nfs/dbraw/zinc/47/93/36/588479336.db2.gz GJRUFLLTGGXKBN-JTQLQIEISA-N 0 0 240.274 2.194 10 0 BEAERN CCCCCCC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000109188318 588530468 /nfs/dbraw/zinc/53/04/68/588530468.db2.gz UYQIBEVMQJTDJF-NSHDSACASA-N 0 0 242.315 2.452 10 0 BEAERN COC(=O)Cc1cccc(OC(=O)C2CCC2)c1 ZINC000109194292 588530632 /nfs/dbraw/zinc/53/06/32/588530632.db2.gz OSBKGRJXOZZOPJ-UHFFFAOYSA-N 0 0 248.278 2.108 10 0 BEAERN CCn1c(C)cc(C(=O)OCC(=O)C2CC2)c1C ZINC000109367809 588556504 /nfs/dbraw/zinc/55/65/04/588556504.db2.gz OESOVZZHAQLMPF-UHFFFAOYSA-N 0 0 249.310 2.261 10 0 BEAERN Cc1ccc(C)c(CC(=O)OCC(=O)C2CC2)c1 ZINC000109373676 588558099 /nfs/dbraw/zinc/55/80/99/588558099.db2.gz HBDAXDFTBWQKFP-UHFFFAOYSA-N 0 0 246.306 2.368 10 0 BEAERN Cc1cc(C(=O)OCC(=O)C2CC2)ccc1F ZINC000109373820 588558359 /nfs/dbraw/zinc/55/83/59/588558359.db2.gz FAZOQUKWNDGLBK-UHFFFAOYSA-N 0 0 236.242 2.270 10 0 BEAERN CCCc1cc(NC(=O)c2ccnc(F)c2)n[nH]1 ZINC000109910588 588601051 /nfs/dbraw/zinc/60/10/51/588601051.db2.gz YSDIBWGZACCWIU-UHFFFAOYSA-N 0 0 248.261 2.149 10 0 BEAERN O=C(/C=C/c1cncc(F)c1)OCC(F)(F)F ZINC000118988893 589226746 /nfs/dbraw/zinc/22/67/46/589226746.db2.gz MEKCUQHEJCHWEP-OWOJBTEDSA-N 0 0 249.163 2.339 10 0 BEAERN CCCSCC(=O)OCC1(CC)COC1 ZINC000119004569 589230429 /nfs/dbraw/zinc/23/04/29/589230429.db2.gz DSDIAGOBDVEYEX-UHFFFAOYSA-N 0 0 232.345 2.099 10 0 BEAERN CCO[C@H]1C[C@@H](OC(C)=O)C12CCCC2 ZINC000119599473 589310992 /nfs/dbraw/zinc/31/09/92/589310992.db2.gz VFEMKEPQEHEPAD-WDEREUQCSA-N 0 0 212.289 2.287 10 0 BEAERN O=C(C[C@@H]1CCCCO1)OCC(F)(F)F ZINC000120495072 589421888 /nfs/dbraw/zinc/42/18/88/589421888.db2.gz ZNJNIAHIZKKQCV-ZETCQYMHSA-N 0 0 226.194 2.051 10 0 BEAERN CCOCCCCOC(=O)C=C1CCC1 ZINC000121605980 589520836 /nfs/dbraw/zinc/52/08/36/589520836.db2.gz FSGXGQLXYZOUDE-UHFFFAOYSA-N 0 0 212.289 2.457 10 0 BEAERN CSc1ccc(OC(=O)c2ccnn2C)cc1 ZINC000121809750 589534144 /nfs/dbraw/zinc/53/41/44/589534144.db2.gz RZSIPDWKQRFTLN-UHFFFAOYSA-N 0 0 248.307 2.361 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCc2cccc(F)c2)O1 ZINC000122300825 589577468 /nfs/dbraw/zinc/57/74/68/589577468.db2.gz IWIXQGKXXCOANZ-BXKDBHETSA-N 0 0 238.258 2.436 10 0 BEAERN CCCCC[C@H](C)CC(=O)N1CC(CO)C1 ZINC000122425689 589589137 /nfs/dbraw/zinc/58/91/37/589589137.db2.gz BDOVDRMBHWIKJD-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCC2CCCC2)O1 ZINC000122646682 589613999 /nfs/dbraw/zinc/61/39/99/589613999.db2.gz XNLHMCQFQFOYBB-MWLCHTKSSA-N 0 0 212.289 2.287 10 0 BEAERN CCCCCC[C@@H](C)C(=O)N1CC(CO)C1 ZINC000122645926 589614062 /nfs/dbraw/zinc/61/40/62/589614062.db2.gz ZEAUGYQCJXMEMB-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)CCOCCOC(=O)[C@@H]1CC[C@H](C)O1 ZINC000122941969 589644545 /nfs/dbraw/zinc/64/45/45/589644545.db2.gz ITBQUXJLCNOIGV-RYUDHWBXSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)CCOCCOC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000122941764 589644736 /nfs/dbraw/zinc/64/47/36/589644736.db2.gz ITBQUXJLCNOIGV-NEPJUHHUSA-N 0 0 244.331 2.160 10 0 BEAERN CC(=O)[C@@H](C)CCCCC(=O)NOCC(C)C ZINC000123136758 589665925 /nfs/dbraw/zinc/66/59/25/589665925.db2.gz NRJTWORRGLERPT-NSHDSACASA-N 0 0 243.347 2.476 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)c2cccnc2)C1 ZINC000123135535 589666051 /nfs/dbraw/zinc/66/60/51/589666051.db2.gz OQWNDBHARXTAPE-RYUDHWBXSA-N 0 0 235.283 2.196 10 0 BEAERN CCOCCCNC(=S)N[C@H](C)C(C)(C)C ZINC000123243135 589681882 /nfs/dbraw/zinc/68/18/82/589681882.db2.gz SFSPNQZEHPVRFP-SNVBAGLBSA-N 0 0 246.420 2.312 10 0 BEAERN CCc1csc(NC(C)(C)[C@H](C)O)n1 ZINC000123718865 589776310 /nfs/dbraw/zinc/77/63/10/589776310.db2.gz LZLCCEQTWXLBBN-ZETCQYMHSA-N 0 0 214.334 2.277 10 0 BEAERN CCCn1cnnc1COC(=O)C[C@H]1C=CCC1 ZINC000123930418 589862711 /nfs/dbraw/zinc/86/27/11/589862711.db2.gz ZNGKWOUQIJFRGI-NSHDSACASA-N 0 0 249.314 2.088 10 0 BEAERN Cc1ncsc1COC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000124167196 589957270 /nfs/dbraw/zinc/95/72/70/589957270.db2.gz LODASPDFPBCUBY-APPZFPTMSA-N 0 0 241.312 2.062 10 0 BEAERN CC(C)(C)SCC(=O)NC[C@]1(C)CCCO1 ZINC000124369351 589981905 /nfs/dbraw/zinc/98/19/05/589981905.db2.gz KAVNHULHQPBXRZ-LBPRGKRZSA-N 0 0 245.388 2.203 10 0 BEAERN C[C@@H](N[C@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000019876642 590025512 /nfs/dbraw/zinc/02/55/12/590025512.db2.gz LFUQTFCTNYIXKM-KCJUWKMLSA-N 0 0 239.702 2.306 10 0 BEAERN CSCCCCNC(=O)c1ccnc(F)c1 ZINC000124535539 590047715 /nfs/dbraw/zinc/04/77/15/590047715.db2.gz SLPZSMUOFPGQOK-UHFFFAOYSA-N 0 0 242.319 2.094 10 0 BEAERN Cc1cccc(C(=O)NOCC(C)C)c1O ZINC000124538816 590048527 /nfs/dbraw/zinc/04/85/27/590048527.db2.gz SMZRHBBXVNMLAG-UHFFFAOYSA-N 0 0 223.272 2.018 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)Cc2ccoc2)C1 ZINC000124564954 590058569 /nfs/dbraw/zinc/05/85/69/590058569.db2.gz ZIHBSGXIGGGONV-NEPJUHHUSA-N 0 0 238.283 2.323 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Oc2ccccc2F)O1 ZINC000124772336 590084804 /nfs/dbraw/zinc/08/48/04/590084804.db2.gz HVYMRGOHWJYBOJ-GZMMTYOYSA-N 0 0 224.231 2.299 10 0 BEAERN C[C@@H](O)c1ccc(N2CCCSCC2)nc1 ZINC000124925284 590101783 /nfs/dbraw/zinc/10/17/83/590101783.db2.gz WCZJIUGTISMOHY-SNVBAGLBSA-N 0 0 238.356 2.078 10 0 BEAERN C[C@H](O)c1ccc(N2CCCSCC2)nc1 ZINC000124925564 590101792 /nfs/dbraw/zinc/10/17/92/590101792.db2.gz WCZJIUGTISMOHY-JTQLQIEISA-N 0 0 238.356 2.078 10 0 BEAERN CC(C)(C)c1noc(-c2ccc(N)cc2O)n1 ZINC000020566970 590124489 /nfs/dbraw/zinc/12/44/89/590124489.db2.gz AWFBFUQDVSHXCH-UHFFFAOYSA-N 0 0 233.271 2.322 10 0 BEAERN c1cc(CNc2ccc3[nH]nnc3c2)co1 ZINC000125146102 590126071 /nfs/dbraw/zinc/12/60/71/590126071.db2.gz GATKMMXQXULFDS-UHFFFAOYSA-N 0 0 214.228 2.163 10 0 BEAERN CCOCC(COCC)OC(=O)[C@@H](C)CC ZINC000125149062 590126783 /nfs/dbraw/zinc/12/67/83/590126783.db2.gz VYTLGLYPLCCYDA-JTQLQIEISA-N 0 0 232.320 2.017 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCc2ccsc2)O1 ZINC000125371321 590162663 /nfs/dbraw/zinc/16/26/63/590162663.db2.gz AZSWWJWMTIUVPV-SCZZXKLOSA-N 0 0 226.297 2.359 10 0 BEAERN CC[C@@H]1CCCCCN1C(=S)NCCOC ZINC000125364366 590162846 /nfs/dbraw/zinc/16/28/46/590162846.db2.gz SAMKEIDNKKZOTA-LLVKDONJSA-N 0 0 244.404 2.162 10 0 BEAERN CC(C)Cc1noc(-c2ccc(N)cc2O)n1 ZINC000021007698 590163983 /nfs/dbraw/zinc/16/39/83/590163983.db2.gz QTHCVMQTVOGOOH-UHFFFAOYSA-N 0 0 233.271 2.223 10 0 BEAERN OC1(c2nc(C3CCCCC3)no2)CCC1 ZINC000125448170 590165014 /nfs/dbraw/zinc/16/50/14/590165014.db2.gz AYXUMLDCUHFCQE-UHFFFAOYSA-N 0 0 222.288 2.489 10 0 BEAERN CC[C@@H](C)COC(=O)c1cnn2c1CCCC2 ZINC000125869165 590194316 /nfs/dbraw/zinc/19/43/16/590194316.db2.gz DXZKMVHDQPSNFS-SNVBAGLBSA-N 0 0 236.315 2.422 10 0 BEAERN COC[C@@H](Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000126002513 590213154 /nfs/dbraw/zinc/21/31/54/590213154.db2.gz MIZLQGSRISOOOJ-GFCCVEGCSA-N 0 0 249.310 2.295 10 0 BEAERN CO[C@H](C)COC(=O)CCCC[C@H](C)C(C)=O ZINC000126121799 590235136 /nfs/dbraw/zinc/23/51/36/590235136.db2.gz LRZLKWRAKPQEQC-WDEREUQCSA-N 0 0 244.331 2.350 10 0 BEAERN CCCC[C@@H](C)OC(=O)CNC(=O)CCC ZINC000126673919 590397414 /nfs/dbraw/zinc/39/74/14/590397414.db2.gz GWMBUKXQNXWUST-SNVBAGLBSA-N 0 0 229.320 2.025 10 0 BEAERN CCCCCCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000126708676 590419981 /nfs/dbraw/zinc/41/99/81/590419981.db2.gz DULGNODIJYYEDC-QWRGUYRKSA-N 0 0 213.321 2.250 10 0 BEAERN CCCCCCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000126708950 590420078 /nfs/dbraw/zinc/42/00/78/590420078.db2.gz DULGNODIJYYEDC-WDEREUQCSA-N 0 0 213.321 2.250 10 0 BEAERN COCCCCC(=O)OC1(C)CCC1 ZINC000126760064 590432576 /nfs/dbraw/zinc/43/25/76/590432576.db2.gz TWBBYBBTMBPCCV-UHFFFAOYSA-N 0 0 200.278 2.289 10 0 BEAERN CCOCCOC(=O)Cc1cccc(CC)c1 ZINC000126792704 590445684 /nfs/dbraw/zinc/44/56/84/590445684.db2.gz KZWYBQQEQMYGPZ-UHFFFAOYSA-N 0 0 236.311 2.371 10 0 BEAERN CCCC[C@H](C)OC(=O)CCc1ccnn1C ZINC000126955789 590515255 /nfs/dbraw/zinc/51/52/55/590515255.db2.gz NBUBUUQYLNNGGA-NSHDSACASA-N 0 0 238.331 2.475 10 0 BEAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)OC1(C)CCC1 ZINC000127025957 590534007 /nfs/dbraw/zinc/53/40/07/590534007.db2.gz WNDVTVLEKTXVKK-SECBINFHSA-N 0 0 241.331 2.023 10 0 BEAERN C[C@H](OCC1CC1)C(=O)OC1(C)CCC1 ZINC000127086992 590561210 /nfs/dbraw/zinc/56/12/10/590561210.db2.gz KSXBPTDZEVUNNL-VIFPVBQESA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)[C@H](C)OC(=O)CC1CCOCC1 ZINC000127142035 590574797 /nfs/dbraw/zinc/57/47/97/590574797.db2.gz FBLDHDTZHNCNSI-JTQLQIEISA-N 0 0 214.305 2.391 10 0 BEAERN CC1(OC(=O)CC2CCOCC2)CCC1 ZINC000127168090 590587118 /nfs/dbraw/zinc/58/71/18/590587118.db2.gz CVXHDQZGLNECKY-UHFFFAOYSA-N 0 0 212.289 2.289 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(N(C)C)cc2)O1 ZINC000127199253 590590192 /nfs/dbraw/zinc/59/01/92/590590192.db2.gz JUEUTJVRZNECCU-GWCFXTLKSA-N 0 0 248.326 2.259 10 0 BEAERN CC(C)[C@@H](C)OC(=O)COCC1CC1 ZINC000127250089 590600919 /nfs/dbraw/zinc/60/09/19/590600919.db2.gz MSHBBDLQSPHKPK-SECBINFHSA-N 0 0 200.278 2.001 10 0 BEAERN COC(=O)N(C)CCCC(=O)O[C@@H](C)C(C)C ZINC000127327895 590621830 /nfs/dbraw/zinc/62/18/30/590621830.db2.gz HUPKFHLNLVLRED-JTQLQIEISA-N 0 0 245.319 2.053 10 0 BEAERN C=COCCOC(=O)[C@@H](C)c1ccccc1 ZINC000127357418 590625401 /nfs/dbraw/zinc/62/54/01/590625401.db2.gz DOMNTDCEBQXGKN-NSHDSACASA-N 0 0 220.268 2.493 10 0 BEAERN COC[C@H](C)NC(=S)N1C[C@H](C)CC[C@@H]1C ZINC000127945383 590849943 /nfs/dbraw/zinc/84/99/43/590849943.db2.gz MXPPWEQMIRTECY-VWYCJHECSA-N 0 0 244.404 2.016 10 0 BEAERN CCCn1nccc1NC(=O)C1=C(C)OCCC1 ZINC000127966077 590860214 /nfs/dbraw/zinc/86/02/14/590860214.db2.gz WMPRJRHGLGBVJF-UHFFFAOYSA-N 0 0 249.314 2.316 10 0 BEAERN C=COCCOC(=O)c1cc2ccccc2n1C ZINC000128374573 591012445 /nfs/dbraw/zinc/01/24/45/591012445.db2.gz CEFAFYXOBZDLOB-UHFFFAOYSA-N 0 0 245.278 2.495 10 0 BEAERN Cc1cc(OCCOc2ccccc2C)nn1C ZINC000128383174 591013497 /nfs/dbraw/zinc/01/34/97/591013497.db2.gz GZBLGDYVCFZRCE-UHFFFAOYSA-N 0 0 246.310 2.495 10 0 BEAERN C=COCCOC(=O)c1ccccc1C ZINC000128378828 591013925 /nfs/dbraw/zinc/01/39/25/591013925.db2.gz OFTNIPHAXUDAEY-UHFFFAOYSA-N 0 0 206.241 2.312 10 0 BEAERN C=COCCOC(=O)c1ccccc1COC ZINC000128397234 591018293 /nfs/dbraw/zinc/01/82/93/591018293.db2.gz KKCBOXUPUIGHHJ-UHFFFAOYSA-N 0 0 236.267 2.150 10 0 BEAERN O=C(OC1(C2CC2)CC1)[C@H]1CSCCS1 ZINC000128487320 591092520 /nfs/dbraw/zinc/09/25/20/591092520.db2.gz RUBOAYLPGVIJSJ-SECBINFHSA-N 0 0 244.381 2.321 10 0 BEAERN CC/C=C(\C)C(=O)N1CCC[C@H]1CCCO ZINC000211208579 591147809 /nfs/dbraw/zinc/14/78/09/591147809.db2.gz PIFNHUATNJUMEG-BCMYLCSRSA-N 0 0 225.332 2.106 10 0 BEAERN CCc1oc(C(=O)NN2CCCCC2)cc1C ZINC000128697771 591152755 /nfs/dbraw/zinc/15/27/55/591152755.db2.gz GUMQHKXDIRTUIY-UHFFFAOYSA-N 0 0 236.315 2.281 10 0 BEAERN C/C=C\C(=O)N[C@H](C)c1ccccc1OC ZINC000211343434 591161228 /nfs/dbraw/zinc/16/12/28/591161228.db2.gz NEBQEWJHJPMGKN-ISGFRBBESA-N 0 0 219.284 2.449 10 0 BEAERN C[C@@H](O)c1ccn(CCc2ccccc2)n1 ZINC000128761004 591161704 /nfs/dbraw/zinc/16/17/04/591161704.db2.gz BGSPGQJZULXVCX-LLVKDONJSA-N 0 0 216.284 2.179 10 0 BEAERN C/C=C\C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000211389614 591164863 /nfs/dbraw/zinc/16/48/63/591164863.db2.gz XRMUCQVCVHMUBX-OMMCCPJFSA-N 0 0 249.310 2.457 10 0 BEAERN COc1ccc(CCn2ccc([C@@H](C)O)n2)cc1 ZINC000128919259 591177401 /nfs/dbraw/zinc/17/74/01/591177401.db2.gz FMCZKYZTFQGBSY-LLVKDONJSA-N 0 0 246.310 2.188 10 0 BEAERN C[C@@H](O)c1ccc(OCc2ccn(C)n2)cc1 ZINC000211636867 591208879 /nfs/dbraw/zinc/20/88/79/591208879.db2.gz IVRAIXVVFLQAJK-SNVBAGLBSA-N 0 0 232.283 2.052 10 0 BEAERN CCc1cc(C)c(C(=O)O[C@H]2CCOC2)o1 ZINC000129183151 591266967 /nfs/dbraw/zinc/26/69/67/591266967.db2.gz QSVKGDBSPDEJJL-JTQLQIEISA-N 0 0 224.256 2.096 10 0 BEAERN CN(CCCc1ccccc1)C(=O)n1ccnc1 ZINC000129954989 591423893 /nfs/dbraw/zinc/42/38/93/591423893.db2.gz RWDFCTLWBMXVJI-UHFFFAOYSA-N 0 0 243.310 2.416 10 0 BEAERN CCO[C@@H]1C[C@H](OC(=O)C2CC2)C12CCC2 ZINC000130618910 591489025 /nfs/dbraw/zinc/48/90/25/591489025.db2.gz CUIKJZRMLCWBIO-MNOVXSKESA-N 0 0 224.300 2.287 10 0 BEAERN CCc1ccccc1OC(=O)C[C@@H]1COC(=O)C1 ZINC000130753966 591514952 /nfs/dbraw/zinc/51/49/52/591514952.db2.gz GFQUPGYRZHMIOI-SNVBAGLBSA-N 0 0 248.278 2.108 10 0 BEAERN CC(C)CN1C[C@@H](c2ccc(N)cc2)OC1=O ZINC000214056989 591531307 /nfs/dbraw/zinc/53/13/07/591531307.db2.gz WWFRUWWRIGISIQ-LBPRGKRZSA-N 0 0 234.299 2.418 10 0 BEAERN CCC1(CC)[C@H](OC)C[C@H]1OC(=O)[C@@H](C)OC ZINC000131021710 591542323 /nfs/dbraw/zinc/54/23/23/591542323.db2.gz KRTDOVLKAZTGIY-GMTAPVOTSA-N 0 0 244.331 2.158 10 0 BEAERN CCCCCC(=O)OCCN1CCSCC1 ZINC000131155099 591559270 /nfs/dbraw/zinc/55/92/70/591559270.db2.gz UVLTXIIEVHSTBV-UHFFFAOYSA-N 0 0 245.388 2.159 10 0 BEAERN CCOCC(=O)O[C@@H]1C[C@H](OC)C1(CC)CC ZINC000131141005 591559367 /nfs/dbraw/zinc/55/93/67/591559367.db2.gz ZUAIGWOSPIYYFS-WDEREUQCSA-N 0 0 244.331 2.160 10 0 BEAERN CSC[C@H](C)NC(=O)CSC(C)(C)C ZINC000131220373 591572992 /nfs/dbraw/zinc/57/29/92/591572992.db2.gz KMPFVGSKIHRPJR-QMMMGPOBSA-N 0 0 235.418 2.386 10 0 BEAERN CCC(=CC(=O)N1[C@@H](C)COC[C@@H]1C)CC ZINC000131281900 591584915 /nfs/dbraw/zinc/58/49/15/591584915.db2.gz KSJNIVUAXKZEMC-QWRGUYRKSA-N 0 0 225.332 2.369 10 0 BEAERN CC[C@H](SC)C(=O)O[C@H](COC)C1CC1 ZINC000131672652 591637398 /nfs/dbraw/zinc/63/73/98/591637398.db2.gz RNOWXTRQSNUYLX-ZJUUUORDSA-N 0 0 232.345 2.096 10 0 BEAERN COC[C@H](OC(=O)Cc1ccsc1)C1CC1 ZINC000131746436 591649790 /nfs/dbraw/zinc/64/97/90/591649790.db2.gz SNNAIDAZLQKZQK-NSHDSACASA-N 0 0 240.324 2.259 10 0 BEAERN COC[C@@H](OC(=O)c1ccc(F)cc1)C1CC1 ZINC000132037373 591685231 /nfs/dbraw/zinc/68/52/31/591685231.db2.gz ABHGMMOSKVJNCO-GFCCVEGCSA-N 0 0 238.258 2.408 10 0 BEAERN Cc1cncc(/C=C/C(=O)OC2CCC2)c1 ZINC000132149594 591690797 /nfs/dbraw/zinc/69/07/97/591690797.db2.gz CAQFYPOOIZJGJV-AATRIKPKSA-N 0 0 217.268 2.499 10 0 BEAERN COC[C@H](OC(=O)Cc1cccs1)C1CC1 ZINC000132169806 591691550 /nfs/dbraw/zinc/69/15/50/591691550.db2.gz JUKAXNCYSUJLAV-NSHDSACASA-N 0 0 240.324 2.259 10 0 BEAERN CCOc1cccnc1C(=O)OCC1CC1 ZINC000132208280 591693188 /nfs/dbraw/zinc/69/31/88/591693188.db2.gz ZMHVRXZBBKEMNV-UHFFFAOYSA-N 0 0 221.256 2.047 10 0 BEAERN CC(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000132227566 591693905 /nfs/dbraw/zinc/69/39/05/591693905.db2.gz DBCQFPQJAFOYQD-ZETCQYMHSA-N 0 0 204.229 2.187 10 0 BEAERN COC[C@H](OC(=O)c1cccs1)C1CC1 ZINC000132413232 591706362 /nfs/dbraw/zinc/70/63/62/591706362.db2.gz JSAXGZHAUZUZTQ-VIFPVBQESA-N 0 0 226.297 2.330 10 0 BEAERN COC[C@@H](OC(=O)c1ccoc1C)C1CC1 ZINC000132506991 591714294 /nfs/dbraw/zinc/71/42/94/591714294.db2.gz IMXCGUFTHVVZRO-LLVKDONJSA-N 0 0 224.256 2.170 10 0 BEAERN COC[C@H](OC(=O)c1ccoc1C)C1CC1 ZINC000132506789 591714837 /nfs/dbraw/zinc/71/48/37/591714837.db2.gz IMXCGUFTHVVZRO-NSHDSACASA-N 0 0 224.256 2.170 10 0 BEAERN C[C@@H](NC(=O)c1ccnc(F)c1)C(C)(C)C ZINC000132834341 591741305 /nfs/dbraw/zinc/74/13/05/591741305.db2.gz ISBLKBJJGPZUKV-MRVPVSSYSA-N 0 0 224.279 2.385 10 0 BEAERN COC(=O)Nc1ccccc1C(=O)N[C@H]1C[C@@H]1C ZINC000112896601 591854045 /nfs/dbraw/zinc/85/40/45/591854045.db2.gz FLCHUYXLGKLJKQ-KWQFWETISA-N 0 0 248.282 2.003 10 0 BEAERN CCc1cnn(-c2ccc(C=O)cc2)c1 ZINC000215020466 591917669 /nfs/dbraw/zinc/91/76/69/591917669.db2.gz POSNPRDGIHULOQ-UHFFFAOYSA-N 0 0 200.241 2.247 10 0 BEAERN Cc1c[nH]nc1NC(=O)CC[C@H]1CCCCO1 ZINC000134675222 591946804 /nfs/dbraw/zinc/94/68/04/591946804.db2.gz ZDGMFDKSIHPAKU-SNVBAGLBSA-N 0 0 237.303 2.006 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000134967568 591966426 /nfs/dbraw/zinc/96/64/26/591966426.db2.gz MTSKZFMLGIRFJQ-NSHDSACASA-N 0 0 236.290 2.339 10 0 BEAERN Cc1cc(Cl)ncc1NCc1cncnc1 ZINC000134995775 591968653 /nfs/dbraw/zinc/96/86/53/591968653.db2.gz XTEWBICWUYQJKV-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2ccc(N)cc2)C1 ZINC000135286996 592003267 /nfs/dbraw/zinc/00/32/67/592003267.db2.gz FSURGYJEWZJHMU-GFCCVEGCSA-N 0 0 232.327 2.387 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2cccc(F)n2)C1 ZINC000135575346 592021608 /nfs/dbraw/zinc/02/16/08/592021608.db2.gz UHNZYHWGTWWYSY-SNVBAGLBSA-N 0 0 236.290 2.339 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)O[C@H](C)C(C)C ZINC000136376771 592110148 /nfs/dbraw/zinc/11/01/48/592110148.db2.gz ABUTWHOXVMQBKH-SECBINFHSA-N 0 0 230.304 2.163 10 0 BEAERN Cc1cccnc1-c1nnc([C@H]2CCCOC2)o1 ZINC000886033210 592136341 /nfs/dbraw/zinc/13/63/41/592136341.db2.gz QHJAGTCJSSMGJV-JTQLQIEISA-N 0 0 245.282 2.334 10 0 BEAERN Cc1cccnc1-c1nnc([C@@H]2CCCOC2)o1 ZINC000886033211 592136999 /nfs/dbraw/zinc/13/69/99/592136999.db2.gz QHJAGTCJSSMGJV-SNVBAGLBSA-N 0 0 245.282 2.334 10 0 BEAERN Fc1cnccc1-c1nnc([C@H]2CCCOC2)o1 ZINC000886039483 592138654 /nfs/dbraw/zinc/13/86/54/592138654.db2.gz JPUULCQYWGWPRM-QMMMGPOBSA-N 0 0 249.245 2.165 10 0 BEAERN C/C(=C/c1cccnc1)C(=O)N1CCCC1 ZINC000219225048 592217061 /nfs/dbraw/zinc/21/70/61/592217061.db2.gz FNDWVDLWYINLOB-LUAWRHEFSA-N 0 0 216.284 2.107 10 0 BEAERN COC(=O)c1csc([C@@H](O)CC(C)C)n1 ZINC000138604597 592297662 /nfs/dbraw/zinc/29/76/62/592297662.db2.gz WJAUJIBKLSWMGU-QMMMGPOBSA-N 0 0 229.301 2.009 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1C1CCCCCCC1 ZINC000300837091 592520979 /nfs/dbraw/zinc/52/09/79/592520979.db2.gz IVOIQHMFWCLJOM-NWDGAFQWSA-N 0 0 225.332 2.267 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1C1CCCCCCC1 ZINC000300837090 592521089 /nfs/dbraw/zinc/52/10/89/592521089.db2.gz IVOIQHMFWCLJOM-NEPJUHHUSA-N 0 0 225.332 2.267 10 0 BEAERN CC[C@H]1CC[C@@H](C)N1c1ncc(C=O)cn1 ZINC000126430594 592724414 /nfs/dbraw/zinc/72/44/14/592724414.db2.gz JASHVYYOLUMONJ-KOLCDFICSA-N 0 0 219.288 2.056 10 0 BEAERN C[C@@H](N[C@@H](C)c1cncs1)c1ncc[nH]1 ZINC000124701619 634429887 /nfs/dbraw/zinc/42/98/87/634429887.db2.gz DAYZDDCETZRHBC-JGVFFNPUSA-N 0 0 222.317 2.278 10 0 BEAERN C[C@H](N[C@@H](C)c1ncc[nH]1)c1cncs1 ZINC000124701245 634431248 /nfs/dbraw/zinc/43/12/48/634431248.db2.gz DAYZDDCETZRHBC-YUMQZZPRSA-N 0 0 222.317 2.278 10 0 BEAERN Cc1csc2c1ncnc2N[C@@H](C)[C@@H](C)O ZINC000336776727 635288591 /nfs/dbraw/zinc/28/85/91/635288591.db2.gz GLPPZHSYVXRBDS-JGVFFNPUSA-N 0 0 237.328 2.181 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2ccc(F)nc2)o1 ZINC000226614575 635436928 /nfs/dbraw/zinc/43/69/28/635436928.db2.gz LVFBMPOGBJEKKH-MRVPVSSYSA-N 0 0 249.245 2.008 10 0 BEAERN COC1CC(NC(=S)Nc2ccccc2)C1 ZINC000230688305 635492065 /nfs/dbraw/zinc/49/20/65/635492065.db2.gz UQSOTVOYNWSYID-UHFFFAOYSA-N 0 0 236.340 2.150 10 0 BEAERN C[C@H](Cc1ccco1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251020209 635509220 /nfs/dbraw/zinc/50/92/20/635509220.db2.gz YLHOCFHZYGJQNB-WISYIIOYSA-N 0 0 233.311 2.373 10 0 BEAERN Cc1cc(N)cnc1-c1cn(C)nc1C(C)C ZINC000232763668 635517046 /nfs/dbraw/zinc/51/70/46/635517046.db2.gz GLLRJFSLEMVLCY-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN CC1CC(C(=O)OC[Si](C)(C)C)C1 ZINC000308249963 631216520 /nfs/dbraw/zinc/21/65/20/631216520.db2.gz GZFSQLGXBNEGAE-UHFFFAOYSA-N 0 0 200.354 2.453 10 0 BEAERN CSCCCOC(=O)C1CC(C)C1 ZINC000308318455 631282399 /nfs/dbraw/zinc/28/23/99/631282399.db2.gz YQZBZCJKZVWZSH-UHFFFAOYSA-N 0 0 202.319 2.329 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1CCCC1(F)F ZINC000381577563 631353564 /nfs/dbraw/zinc/35/35/64/631353564.db2.gz IVAKLZJRUHYLQV-QMMMGPOBSA-N 0 0 215.247 2.039 10 0 BEAERN CS[C@H](C)CC(=O)O[C@H](C)C1CCOCC1 ZINC000157938233 631378470 /nfs/dbraw/zinc/37/84/70/631378470.db2.gz CNEFXUGSYUOFEJ-NXEZZACHSA-N 0 0 246.372 2.486 10 0 BEAERN CS[C@@H](C)CC(=O)O[C@@H](C)C1CCOCC1 ZINC000157937799 631378750 /nfs/dbraw/zinc/37/87/50/631378750.db2.gz CNEFXUGSYUOFEJ-UWVGGRQHSA-N 0 0 246.372 2.486 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000082609555 631407833 /nfs/dbraw/zinc/40/78/33/631407833.db2.gz MCGAALUWSQERFI-DTWKUNHWSA-N 0 0 215.293 2.079 10 0 BEAERN O=C(NCCC1CC1)N[C@@H]1COc2ccccc21 ZINC000176049932 631450480 /nfs/dbraw/zinc/45/04/80/631450480.db2.gz FMVBNDXAEZTFNL-GFCCVEGCSA-N 0 0 246.310 2.219 10 0 BEAERN C[C@H]1C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000085526957 631460766 /nfs/dbraw/zinc/46/07/66/631460766.db2.gz PDNNAVJKDRCONY-HZGVNTEJSA-N 0 0 240.100 2.256 10 0 BEAERN CN[C@H](C)c1nc([C@H]2CCc3ccccc32)no1 ZINC000087997511 631485697 /nfs/dbraw/zinc/48/56/97/631485697.db2.gz UCZLMDIAPJOTLF-SKDRFNHKSA-N 0 0 243.310 2.428 10 0 BEAERN CCCOCCOC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176134294 631538876 /nfs/dbraw/zinc/53/88/76/631538876.db2.gz KFGYQUYMJMKRPZ-GHMZBOCLSA-N 0 0 212.289 2.002 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccnc2ccsc21 ZINC000309037151 631807548 /nfs/dbraw/zinc/80/75/48/631807548.db2.gz IVPSTGKGPNMPKZ-HTQZYQBOSA-N 0 0 222.313 2.478 10 0 BEAERN COC[C@H](C)CNc1ccc(N)c(C)c1 ZINC000045685818 631843933 /nfs/dbraw/zinc/84/39/33/631843933.db2.gz AVAZUFPOUPHFKD-SECBINFHSA-N 0 0 208.305 2.272 10 0 BEAERN CC(C)Cc1c(CC2CC2)nn(C)c1N ZINC000049804723 631914373 /nfs/dbraw/zinc/91/43/73/631914373.db2.gz TZNCCFPKQQJUJR-UHFFFAOYSA-N 0 0 207.321 2.153 10 0 BEAERN CCCCCCC(=O)N[C@H]1CCCC[C@H]1O ZINC000051996919 632039728 /nfs/dbraw/zinc/03/97/28/632039728.db2.gz UPXZFZJDGCLRLF-NWDGAFQWSA-N 0 0 227.348 2.377 10 0 BEAERN CCC[C@H]([NH3+])c1ccc([O-])c(F)c1F ZINC000238247878 632075509 /nfs/dbraw/zinc/07/55/09/632075509.db2.gz PCXWDAODWFHINY-ZETCQYMHSA-N 0 0 201.216 2.470 10 0 BEAERN CCc1nc(CNCc2ccncc2)cs1 ZINC000054918000 632520526 /nfs/dbraw/zinc/52/05/26/632520526.db2.gz HIKGFGMMSZSTQP-UHFFFAOYSA-N 0 0 233.340 2.390 10 0 BEAERN CC(=O)[C@@H]1CCCN(CC(F)(F)C(F)F)C1 ZINC000309136932 632644696 /nfs/dbraw/zinc/64/46/96/632644696.db2.gz PYCPOIWPDUVRKH-MRVPVSSYSA-N 0 0 241.228 2.188 10 0 BEAERN C[C@H](O)[C@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000309977606 632688930 /nfs/dbraw/zinc/68/89/30/632688930.db2.gz UKXBTDBNJTUPLA-BQBZGAKWSA-N 0 0 234.221 2.282 10 0 BEAERN NOCc1nc(C(C2CCC2)C2CCC2)no1 ZINC000310286159 632718325 /nfs/dbraw/zinc/71/83/25/632718325.db2.gz XTHIIGKCTCTWCZ-UHFFFAOYSA-N 0 0 237.303 2.144 10 0 BEAERN CCc1nc(C)cc(N2CCC[C@H](C(C)=O)C2)n1 ZINC000310746920 632933049 /nfs/dbraw/zinc/93/30/49/632933049.db2.gz JKGBKCXJNSSTNK-LBPRGKRZSA-N 0 0 247.342 2.153 10 0 BEAERN COC(=O)[C@@H](C)c1c[nH]c2ccccc21 ZINC000034068797 635870778 /nfs/dbraw/zinc/87/07/78/635870778.db2.gz DKPWECDPNJOYSW-QMMMGPOBSA-N 0 0 203.241 2.444 10 0 BEAERN Cc1cccnc1COC(=O)[C@H]1CC[C@H](C)O1 ZINC000180352168 633016662 /nfs/dbraw/zinc/01/66/62/633016662.db2.gz SAVCNVAISFDEGA-CMPLNLGQSA-N 0 0 235.283 2.001 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)N[C@@H](C)[C@@H](C)O ZINC000307991676 633041526 /nfs/dbraw/zinc/04/15/26/633041526.db2.gz JDNZRHAMGFMYSP-QJPTWQEYSA-N 0 0 229.364 2.334 10 0 BEAERN C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC000163015933 633043814 /nfs/dbraw/zinc/04/38/14/633043814.db2.gz UPIOHOSJESVVDJ-MWLCHTKSSA-N 0 0 249.310 2.352 10 0 BEAERN Cc1nn(CCc2ccsc2)cc1N ZINC000704866630 633092809 /nfs/dbraw/zinc/09/28/09/633092809.db2.gz XCZNIFXUEWOHFN-UHFFFAOYSA-N 0 0 207.302 2.078 10 0 BEAERN CCc1ccc(Cn2cc(N)c(C)n2)s1 ZINC000704811903 633092816 /nfs/dbraw/zinc/09/28/16/633092816.db2.gz GWBKREJQWVQKMH-UHFFFAOYSA-N 0 0 221.329 2.446 10 0 BEAERN CC[C@@H](C(=O)C(C)(C)C)C(OC)OC ZINC000168303966 633142809 /nfs/dbraw/zinc/14/28/09/633142809.db2.gz LCHCWZJQLZUQHT-QMMMGPOBSA-N 0 0 202.294 2.247 10 0 BEAERN O[C@H](C[C@@H]1CCCC1(F)F)c1cn[nH]c1 ZINC000394296120 633158683 /nfs/dbraw/zinc/15/86/83/633158683.db2.gz PNAOAWTUUKGZFZ-DTWKUNHWSA-N 0 0 216.231 2.269 10 0 BEAERN OCCC[C@@H]1CCCN1CC(F)(F)C(F)F ZINC000303142529 635926176 /nfs/dbraw/zinc/92/61/76/635926176.db2.gz BEZKMNNJKYTFLU-QMMMGPOBSA-N 0 0 243.244 2.124 10 0 BEAERN O=C(CCn1cccn1)OCc1ccccc1 ZINC000126685054 635948110 /nfs/dbraw/zinc/94/81/10/635948110.db2.gz KECICKUSCIVJLS-UHFFFAOYSA-N 0 0 230.267 2.017 10 0 BEAERN CC(=O)Nc1ccc(C(=O)OC[C@H]2C[C@H]2C)cc1 ZINC000049055705 636006854 /nfs/dbraw/zinc/00/68/54/636006854.db2.gz DTDUCQMWYPXEIK-BXKDBHETSA-N 0 0 247.294 2.458 10 0 BEAERN CC(C)OC(=O)N[C@@H]1CCS[C@@H]1C ZINC000307617413 635990156 /nfs/dbraw/zinc/99/01/56/635990156.db2.gz RKGCNXQFVKFAPC-HTQZYQBOSA-N 0 0 203.307 2.015 10 0 BEAERN CC(C)C(=O)N1CCN(c2ccccc2)[C@H](C)C1 ZINC000062690687 633771428 /nfs/dbraw/zinc/77/14/28/633771428.db2.gz SFCNOHFTRNUTBA-CYBMUJFWSA-N 0 0 246.354 2.380 10 0 BEAERN CCOC(=O)[C@@]1(CC)OC12CC(C)(C)C2 ZINC000395181857 633831617 /nfs/dbraw/zinc/83/16/17/633831617.db2.gz NVJRNKZIZONDRI-GFCCVEGCSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@@H](O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000035627768 633836776 /nfs/dbraw/zinc/83/67/76/633836776.db2.gz NZPSWURTVLSYJH-MFKMUULPSA-N 0 0 222.284 2.298 10 0 BEAERN C[C@H]1OCC[C@@H]1OC(=O)Cc1cccc(F)c1 ZINC000187828559 634122777 /nfs/dbraw/zinc/12/27/77/634122777.db2.gz DVQZOABUZHLOET-SKDRFNHKSA-N 0 0 238.258 2.089 10 0 BEAERN CCOC[C@H](C)OC(=O)/C=C(\C)C1CC1 ZINC000190772985 634194334 /nfs/dbraw/zinc/19/43/34/634194334.db2.gz SJYXJNXMNUHGGP-PCYYEKQGSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H](Nc1cccc(C(F)(F)F)n1)[C@H](C)O ZINC000336778834 635289268 /nfs/dbraw/zinc/28/92/68/635289268.db2.gz MMKZSOFGAOCLMV-RQJHMYQMSA-N 0 0 234.221 2.282 10 0 BEAERN C[C@@H]1CN(CCC(=O)C(C)(C)C)[C@H](C)CO1 ZINC000054026443 635327943 /nfs/dbraw/zinc/32/79/43/635327943.db2.gz NEIKTPZOKBRZBB-GHMZBOCLSA-N 0 0 227.348 2.101 10 0 BEAERN C[C@H](OC(=O)c1ccccc1)[C@H]1CCOC1 ZINC000079175707 636253785 /nfs/dbraw/zinc/25/37/85/636253785.db2.gz LYKVTKWOGVWGHG-JQWIXIFHSA-N 0 0 220.268 2.268 10 0 BEAERN C[C@@H](NC(=O)c1cccc2ccsc21)[C@H](C)O ZINC000346453310 636277004 /nfs/dbraw/zinc/27/70/04/636277004.db2.gz KJWFTKNLYYXILY-BDAKNGLRSA-N 0 0 249.335 2.400 10 0 BEAERN O=C(OCCCOC1CCCC1)C1CC1 ZINC000127150838 636294590 /nfs/dbraw/zinc/29/45/90/636294590.db2.gz KFEGRKCFJCXDSL-UHFFFAOYSA-N 0 0 212.289 2.289 10 0 BEAERN O=C(Nc1ccc(CO)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249986385 636751913 /nfs/dbraw/zinc/75/19/13/636751913.db2.gz IIDUIAPJMZKSBL-ZSBIGDGJSA-N 0 0 231.295 2.164 10 0 BEAERN CCc1ccccc1-c1cc(N)n(C)n1 ZINC000161941952 637052366 /nfs/dbraw/zinc/05/23/66/637052366.db2.gz RGKZZXSZYJKDIN-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(=O)[O-])co2)C1 ZINC000128494423 637080092 /nfs/dbraw/zinc/08/00/92/637080092.db2.gz QDOOJFMSOAZNKH-PSASIEDQSA-N 0 0 223.272 2.256 10 0 BEAERN CC(C)CC1(C(=O)N[C@@H](C)[C@@H](C)O)CCCC1 ZINC000346410527 637110651 /nfs/dbraw/zinc/11/06/51/637110651.db2.gz PMGVHEQKOCXPIE-NWDGAFQWSA-N 0 0 241.375 2.478 10 0 BEAERN CCCC[C@H](CC)C(=O)N[C@H](C)[C@@H](C)O ZINC000346472756 637145468 /nfs/dbraw/zinc/14/54/68/637145468.db2.gz RDMQBMYQXQWLOE-MXWKQRLJSA-N 0 0 215.337 2.088 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@H](C)O)cc1Cl ZINC000346467246 637146015 /nfs/dbraw/zinc/14/60/15/637146015.db2.gz PMCSJHGAJKDYMK-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1csc2ccccc12 ZINC000346476309 637152316 /nfs/dbraw/zinc/15/23/16/637152316.db2.gz SNUBLPQAFXNOKQ-DTWKUNHWSA-N 0 0 249.335 2.400 10 0 BEAERN Clc1ccc(N2CCCSCC2)nn1 ZINC000042445164 637258474 /nfs/dbraw/zinc/25/84/74/637258474.db2.gz FUKKPTFCCJGWDS-UHFFFAOYSA-N 0 0 229.736 2.073 10 0 BEAERN O=C1C[C@H](c2cc3ccccc3s2)N1 ZINC000149472669 638485291 /nfs/dbraw/zinc/48/52/91/638485291.db2.gz GCVLJRVFCTVWIZ-MRVPVSSYSA-N 0 0 203.266 2.462 10 0 BEAERN CNc1cc(N(C)Cc2ccc(C)o2)ncn1 ZINC000129301308 639373897 /nfs/dbraw/zinc/37/38/97/639373897.db2.gz RTBGLYOSBVFUDC-UHFFFAOYSA-N 0 0 232.287 2.056 10 0 BEAERN CC[C@H]1CN(C[C@H](O)c2ccccc2C)CCO1 ZINC000044132598 639667124 /nfs/dbraw/zinc/66/71/24/639667124.db2.gz KUYBMQBTXVRZDB-ZFWWWQNUSA-N 0 0 249.354 2.139 10 0 BEAERN CCc1noc(COc2cccc([C@H](C)O)c2)n1 ZINC000035627690 639764361 /nfs/dbraw/zinc/76/43/61/639764361.db2.gz KMJPDYJAMVFPCE-VIFPVBQESA-N 0 0 248.282 2.264 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1 ZINC000150831680 640156707 /nfs/dbraw/zinc/15/67/07/640156707.db2.gz YJDDTNURYGHKHP-RQJHMYQMSA-N 0 0 226.194 2.050 10 0 BEAERN CCc1nc(-c2ccc(N)cc2Cl)n(C)n1 ZINC000054697178 640305200 /nfs/dbraw/zinc/30/52/00/640305200.db2.gz UNWNKBFEWXANSU-UHFFFAOYSA-N 0 0 236.706 2.280 10 0 BEAERN CC(C)c1nc(-c2ccc(N)cc2)n(C)n1 ZINC000054697739 640306979 /nfs/dbraw/zinc/30/69/79/640306979.db2.gz KBDHLAWPYLQEIT-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN C[C@@H](OC(=O)c1ccoc1)C1CCOCC1 ZINC000151485857 640395821 /nfs/dbraw/zinc/39/58/21/640395821.db2.gz HEAXJIUXWPEVHO-SECBINFHSA-N 0 0 224.256 2.252 10 0 BEAERN C[C@H](OC(=O)c1ccoc1)C1CCOCC1 ZINC000151485784 640395909 /nfs/dbraw/zinc/39/59/09/640395909.db2.gz HEAXJIUXWPEVHO-VIFPVBQESA-N 0 0 224.256 2.252 10 0 BEAERN Cc1ccn(-c2cc(C=O)ccc2C)n1 ZINC000164880246 640512116 /nfs/dbraw/zinc/51/21/16/640512116.db2.gz NXAZHJXUSVZLFA-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN c1cnc2c(c1)cncc2NC[C@H]1CCCO1 ZINC000223138055 640537753 /nfs/dbraw/zinc/53/77/53/640537753.db2.gz WCVTZHSOFQYVSF-LLVKDONJSA-N 0 0 229.283 2.221 10 0 BEAERN O=C(/C=C\c1ccco1)NCc1cscn1 ZINC000056664116 640561214 /nfs/dbraw/zinc/56/12/14/640561214.db2.gz KUVGOHGXBRDEPO-ARJAWSKDSA-N 0 0 234.280 2.066 10 0 BEAERN NC(=S)NN=C1CCCC/C1=C\c1ccco1 ZINC000056686121 640562257 /nfs/dbraw/zinc/56/22/57/640562257.db2.gz NPCNPLUOAJRAJS-HBZYMUOVSA-N 0 0 249.339 2.426 10 0 BEAERN c1ccc2c(c1)NCCN2C[C@@H]1CCCO1 ZINC000057846586 640647088 /nfs/dbraw/zinc/64/70/88/640647088.db2.gz AHHTYSVMJXZMOS-NSHDSACASA-N 0 0 218.300 2.098 10 0 BEAERN Cc1cc(C(=O)O[C@H](C)[C@H]2CCOC2)co1 ZINC000187446685 640711250 /nfs/dbraw/zinc/71/12/50/640711250.db2.gz KWCPBSBHRIKSGB-ZJUUUORDSA-N 0 0 224.256 2.170 10 0 BEAERN CCCCN1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000167905940 640762447 /nfs/dbraw/zinc/76/24/47/640762447.db2.gz JOIRUHDZWBUKGK-UHFFFAOYSA-N 0 0 234.255 2.351 10 0 BEAERN CCCCNC(=S)N[C@H](C)c1ncc(C)o1 ZINC000226536309 640772730 /nfs/dbraw/zinc/77/27/30/640772730.db2.gz YWTXRVUPNWXZIY-SECBINFHSA-N 0 0 241.360 2.308 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCCC[C@@H]1CO ZINC000226626312 640784833 /nfs/dbraw/zinc/78/48/33/640784833.db2.gz QKUOMHFAPOHGCA-JHJVBQTASA-N 0 0 239.359 2.186 10 0 BEAERN CC[C@@](C)(CCO)Nc1nccs1 ZINC000228617358 640886703 /nfs/dbraw/zinc/88/67/03/640886703.db2.gz JUBHELWDTQYRSD-VIFPVBQESA-N 0 0 200.307 2.106 10 0 BEAERN CCCOCCOC(=O)Cc1cccc(F)c1 ZINC000170961304 640945574 /nfs/dbraw/zinc/94/55/74/640945574.db2.gz SEMHOTYYSPBQBC-UHFFFAOYSA-N 0 0 240.274 2.338 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Oc1ccc(C)c(C)c1 ZINC000171175256 640961348 /nfs/dbraw/zinc/96/13/48/640961348.db2.gz MUIWCSOVPFHYJY-RYUDHWBXSA-N 0 0 248.278 2.018 10 0 BEAERN Cc1cccc2c1CCN(C(=O)N[C@H]1C[C@@H]1C)C2 ZINC000171595224 640994303 /nfs/dbraw/zinc/99/43/03/640994303.db2.gz MCRVWGCRJURUOZ-FZMZJTMJSA-N 0 0 244.338 2.471 10 0 BEAERN Cc1nn(CCC(N)=O)c(C)c1/C=C\C(C)(C)C ZINC000229970917 640999709 /nfs/dbraw/zinc/99/97/09/640999709.db2.gz KZYWLMLUGCNPLK-VURMDHGXSA-N 0 0 249.358 2.435 10 0 BEAERN C[C@H](NCc1ccoc1)c1nnc2ccccn21 ZINC000062103487 641022097 /nfs/dbraw/zinc/02/20/97/641022097.db2.gz GUECWDOOONSPFN-JTQLQIEISA-N 0 0 242.282 2.173 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000230174458 641032061 /nfs/dbraw/zinc/03/20/61/641032061.db2.gz BXAUQOPWQMQQJI-MRVWCRGKSA-N 0 0 247.338 2.272 10 0 BEAERN CCCNc1cc(N[C@@H]2C[C@H]2C)ncn1 ZINC000087827524 641060260 /nfs/dbraw/zinc/06/02/60/641060260.db2.gz GCXUXSUJNJOVHU-RKDXNWHRSA-N 0 0 206.293 2.119 10 0 BEAERN COC(=O)/C(C)=C/CN[C@H](C)c1ccc(C)o1 ZINC000230630295 641073692 /nfs/dbraw/zinc/07/36/92/641073692.db2.gz UTZXCAUCUOUHNO-MXMFLMJRSA-N 0 0 237.299 2.358 10 0 BEAERN COC(=O)/C(C)=C/CN[C@@H](C)c1ccc(C)o1 ZINC000230630286 641073743 /nfs/dbraw/zinc/07/37/43/641073743.db2.gz UTZXCAUCUOUHNO-DJYGCBNOSA-N 0 0 237.299 2.358 10 0 BEAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](CC(C)C)C1 ZINC000062877544 641104964 /nfs/dbraw/zinc/10/49/64/641104964.db2.gz XETVGBANRZQJNN-GFCCVEGCSA-N 0 0 213.321 2.219 10 0 BEAERN COC(=O)[C@@H](NCc1ccoc1)c1ccccc1 ZINC000063047483 641122445 /nfs/dbraw/zinc/12/24/45/641122445.db2.gz WNINJMJJKQUWNE-ZDUSSCGKSA-N 0 0 245.278 2.284 10 0 BEAERN CCCCNC(=S)N[C@@H]1C[C@H]1CCC ZINC000231647976 641191499 /nfs/dbraw/zinc/19/14/99/641191499.db2.gz DLMIOPMJAFLWFW-NXEZZACHSA-N 0 0 214.378 2.439 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=S)NCCCOCC ZINC000231648059 641192691 /nfs/dbraw/zinc/19/26/91/641192691.db2.gz XAXBKIMNPRJFAK-GHMZBOCLSA-N 0 0 244.404 2.066 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCCCC1 ZINC000231694455 641193621 /nfs/dbraw/zinc/19/36/21/641193621.db2.gz SEZFKZVMGCHAEF-MNOVXSKESA-N 0 0 210.321 2.371 10 0 BEAERN Cc1cnc([C@H](C)Nc2cc(F)ncn2)o1 ZINC000231755341 641197816 /nfs/dbraw/zinc/19/78/16/641197816.db2.gz FBONGRLWZRMHGP-ZETCQYMHSA-N 0 0 222.223 2.085 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2cccnc2F)o1 ZINC000231741481 641200347 /nfs/dbraw/zinc/20/03/47/641200347.db2.gz MSYBYLFRQCPSGA-QMMMGPOBSA-N 0 0 249.245 2.008 10 0 BEAERN CC(C)c1c(CC2CCC2)nn(C)c1N ZINC000232161274 641249973 /nfs/dbraw/zinc/24/99/73/641249973.db2.gz CUBBYVQDYAXVQC-UHFFFAOYSA-N 0 0 207.321 2.468 10 0 BEAERN COC(=O)c1ccc([C@H](C)OC(C)=O)cc1 ZINC000039406392 641318472 /nfs/dbraw/zinc/31/84/72/641318472.db2.gz KRCQAKKCXNPIEI-QMMMGPOBSA-N 0 0 222.240 2.097 10 0 BEAERN CCC(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000041173859 641542374 /nfs/dbraw/zinc/54/23/74/641542374.db2.gz IETPPJWJIXKKCE-CYBMUJFWSA-N 0 0 249.310 2.005 10 0 BEAERN Cc1nc(-c2cc(F)ccc2N)[nH]c1C ZINC000042414865 641552459 /nfs/dbraw/zinc/55/24/59/641552459.db2.gz GTUPPBJARCSOBM-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN CC(C)[C@H](C)NC(=O)CSC(F)(F)F ZINC000048077895 641674676 /nfs/dbraw/zinc/67/46/76/641674676.db2.gz VIBXJGXAYXCICC-LURJTMIESA-N 0 0 229.267 2.400 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2C[C@@H]2C)s1 ZINC000075525181 641760355 /nfs/dbraw/zinc/76/03/55/641760355.db2.gz QOYDKLVOUVHTCW-CBAPKCEASA-N 0 0 209.314 2.449 10 0 BEAERN COc1ccc(COC(=O)c2cccnc2)cc1 ZINC000032180986 641760733 /nfs/dbraw/zinc/76/07/33/641760733.db2.gz WMWSRFPILNHBNU-UHFFFAOYSA-N 0 0 243.262 2.447 10 0 BEAERN CC(=O)c1cccc([C@@H]2CCC[C@H](C(=O)[O-])[NH2+]2)c1 ZINC000075808724 641771515 /nfs/dbraw/zinc/77/15/15/641771515.db2.gz RCCHIUHCWPYMNY-QWHCGFSZSA-N 0 0 247.294 2.157 10 0 BEAERN Nc1cc(-c2ccc(F)c(F)c2F)[nH]n1 ZINC000075879870 641779690 /nfs/dbraw/zinc/77/96/90/641779690.db2.gz SFUNVIWGVCXEDB-UHFFFAOYSA-N 0 0 213.162 2.076 10 0 BEAERN C[C@@H](O)c1cccc(OCCOCC(F)F)c1 ZINC000189312354 641802261 /nfs/dbraw/zinc/80/22/61/641802261.db2.gz YUUPKNOOHRIMIL-SECBINFHSA-N 0 0 246.253 2.400 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccnc(Cl)c1 ZINC000190129981 641844112 /nfs/dbraw/zinc/84/41/12/641844112.db2.gz MWPCQHAZSBAXJI-QMMMGPOBSA-N 0 0 243.690 2.317 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC[C@@H]2CCC(C)(C)O2)O1 ZINC000190605797 641874665 /nfs/dbraw/zinc/87/46/65/641874665.db2.gz AMYDXUOSQNYQCV-OUAUKWLOSA-N 0 0 242.315 2.055 10 0 BEAERN CCOC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000190707769 641882295 /nfs/dbraw/zinc/88/22/95/641882295.db2.gz FEYHNIGJGRNAAO-DVVUODLYSA-N 0 0 212.289 2.001 10 0 BEAERN CO[C@@H](C)CCOC(=O)Cc1cccc(F)c1 ZINC000174823052 641882529 /nfs/dbraw/zinc/88/25/29/641882529.db2.gz YODKRHBSLSFLQG-JTQLQIEISA-N 0 0 240.274 2.336 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)OC1CCCC1 ZINC000324611285 641883261 /nfs/dbraw/zinc/88/32/61/641883261.db2.gz MMYCSCWZMIAAJA-SNVBAGLBSA-N 0 0 229.320 2.062 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H](C)C1CCOCC1 ZINC000190777390 641885165 /nfs/dbraw/zinc/88/51/65/641885165.db2.gz JCPIFUXSZIHEPJ-WDEREUQCSA-N 0 0 244.331 2.017 10 0 BEAERN C[C@H](N(C)C(=O)n1ccnc1)C(C)(C)C ZINC000032779627 641919227 /nfs/dbraw/zinc/91/92/27/641919227.db2.gz YFYGWTNXCYAGBJ-VIFPVBQESA-N 0 0 209.293 2.218 10 0 BEAERN CCCC(=O)N(C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000078523310 641929882 /nfs/dbraw/zinc/92/98/82/641929882.db2.gz LNGNWIKSPQYEPK-FZMZJTMJSA-N 0 0 235.327 2.367 10 0 BEAERN CCSCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192105531 641961994 /nfs/dbraw/zinc/96/19/94/641961994.db2.gz UGSRUQBQXKHHBG-ZJUUUORDSA-N 0 0 232.345 2.098 10 0 BEAERN CCSCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192105540 641962458 /nfs/dbraw/zinc/96/24/58/641962458.db2.gz UGSRUQBQXKHHBG-UWVGGRQHSA-N 0 0 232.345 2.098 10 0 BEAERN COC[C@@H](C)C(=O)O[C@H](C)CC(C)C ZINC000154137830 641966722 /nfs/dbraw/zinc/96/67/22/641966722.db2.gz GNQKADGNZUMTAE-NXEZZACHSA-N 0 0 202.294 2.247 10 0 BEAERN C[C@H](CO)SCCSC(F)(F)F ZINC000123609407 641967491 /nfs/dbraw/zinc/96/74/91/641967491.db2.gz PKZRUVMJWYIBBL-RXMQYKEDSA-N 0 0 220.281 2.353 10 0 BEAERN CC(C)[C@@H](C)NC(=O)C[C@@H]1CSCCS1 ZINC000154446563 642089589 /nfs/dbraw/zinc/08/95/89/642089589.db2.gz UUBLJEHBOXMKPW-NXEZZACHSA-N 0 0 247.429 2.386 10 0 BEAERN CCC1(COC(=O)[C@@H]2C[C@@H]2C2CC2)COC1 ZINC000154681291 642182650 /nfs/dbraw/zinc/18/26/50/642182650.db2.gz IRNIGHBTTKMXTK-GHMZBOCLSA-N 0 0 224.300 2.002 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)C(C)(Cl)Cl ZINC000308167580 642476524 /nfs/dbraw/zinc/47/65/24/642476524.db2.gz AIQASAKPJDBQLB-BQBZGAKWSA-N 0 0 224.131 2.485 10 0 BEAERN C/C(=C\Cl)Cn1cc(Cl)c(N)n1 ZINC000379324234 642498111 /nfs/dbraw/zinc/49/81/11/642498111.db2.gz XDEFCPZTGZLADC-GORDUTHDSA-N 0 0 206.076 2.092 10 0 BEAERN COC[C@@H](C)n1ccc2ccc(N)cc21 ZINC000379420427 642515706 /nfs/dbraw/zinc/51/57/06/642515706.db2.gz NJLGNCNNHDCGNG-SECBINFHSA-N 0 0 204.273 2.431 10 0 BEAERN CO[C@H](C)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000064364743 642650323 /nfs/dbraw/zinc/65/03/23/642650323.db2.gz WHXNCLDAAJNNQK-DTWKUNHWSA-N 0 0 248.282 2.202 10 0 BEAERN CSCCCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175228341 642662661 /nfs/dbraw/zinc/66/26/61/642662661.db2.gz PUEAZGKMEJCHBC-UWVGGRQHSA-N 0 0 232.345 2.098 10 0 BEAERN CC(C)CC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175235013 642664632 /nfs/dbraw/zinc/66/46/32/642664632.db2.gz WOEQDXFZJATIIF-UWVGGRQHSA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)[C@H](C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175258094 642667839 /nfs/dbraw/zinc/66/78/39/642667839.db2.gz QLJQFYFQMMKUSA-HBNTYKKESA-N 0 0 214.305 2.247 10 0 BEAERN C[C@H](OC(=O)C[C@H]1C=CCC1)[C@@H]1CCOC1 ZINC000175285432 642671171 /nfs/dbraw/zinc/67/11/71/642671171.db2.gz FGOPQSKUTSGQHN-SDDRHHMPSA-N 0 0 224.300 2.311 10 0 BEAERN Nc1ccc(-c2nc(CC3CCC3)no2)nc1 ZINC000306078776 642720357 /nfs/dbraw/zinc/72/03/57/642720357.db2.gz BMNVIAGUPZVKQB-UHFFFAOYSA-N 0 0 230.271 2.056 10 0 BEAERN O=C(N[C@@H]1CCCC[C@H]1CO)OC1CCCC1 ZINC000306093286 642721692 /nfs/dbraw/zinc/72/16/92/642721692.db2.gz KTPZLLZTASNGNV-CMPLNLGQSA-N 0 0 241.331 2.206 10 0 BEAERN Cc1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1 ZINC000069537203 642872810 /nfs/dbraw/zinc/87/28/10/642872810.db2.gz YESXHGVLCRPTQX-ZIAGYGMSSA-N 0 0 249.354 2.483 10 0 BEAERN COCCC[C@H](C)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000182153616 642962182 /nfs/dbraw/zinc/96/21/82/642962182.db2.gz DYQOMMPIGBQCLL-SDDRHHMPSA-N 0 0 244.331 2.017 10 0 BEAERN CO[C@@H](C)CCC(=O)O[C@@H](C)C1CCOCC1 ZINC000183327728 643106703 /nfs/dbraw/zinc/10/67/03/643106703.db2.gz ARKLGZHFAJRRBN-QWRGUYRKSA-N 0 0 244.331 2.160 10 0 BEAERN CCc1cnccc1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000183653733 643151511 /nfs/dbraw/zinc/15/15/11/643151511.db2.gz ZWMRGSVDMOGTLY-JQWIXIFHSA-N 0 0 249.310 2.226 10 0 BEAERN C[C@H](CCn1cccn1)OC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000183915508 643182367 /nfs/dbraw/zinc/18/23/67/643182367.db2.gz BSCBUOJEGMGJKX-RAIGVLPGSA-N 0 0 248.326 2.251 10 0 BEAERN CCC(C)(C)NC(=S)N[C@H]1C[C@H]1C ZINC000306668724 643210466 /nfs/dbraw/zinc/21/04/66/643210466.db2.gz WNRUORJIQOYMBY-SFYZADRCSA-N 0 0 200.351 2.048 10 0 BEAERN CC[C@@H]1CCC[C@]2(CC1)O[C@@H]2C(=O)OC ZINC000227529844 643227159 /nfs/dbraw/zinc/22/71/59/643227159.db2.gz WSGKCCMKDCUCOV-CKYFFXLPSA-N 0 0 212.289 2.287 10 0 BEAERN CON(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000185349575 643297379 /nfs/dbraw/zinc/29/73/79/643297379.db2.gz BCAGYUOBYNSLRY-JTQLQIEISA-N 0 0 222.288 2.259 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000185359742 643300092 /nfs/dbraw/zinc/30/00/92/643300092.db2.gz CKCMWXRRRLLYLD-MNOVXSKESA-N 0 0 224.300 2.147 10 0 BEAERN c1coc([C@H]2CCO[C@]3(CCSC3)N2)c1 ZINC000757151718 643343798 /nfs/dbraw/zinc/34/37/98/643343798.db2.gz RHGAARVGDQFPST-KOLCDFICSA-N 0 0 225.313 2.164 10 0 BEAERN Nc1cc(-c2sccc2Br)[nH]n1 ZINC000082619200 643355686 /nfs/dbraw/zinc/35/56/86/643355686.db2.gz AQNDQNYTAAOMGX-UHFFFAOYSA-N 0 0 244.117 2.483 10 0 BEAERN C[C@@H]1C[C@H](C)[C@@](F)(C(=O)OC(C)(C)C)[C@@H]([NH3+])C1 ZINC000757182470 643357108 /nfs/dbraw/zinc/35/71/08/643357108.db2.gz JIIRQWJMCSLJOP-QYTUQVAYSA-N 0 0 245.338 2.430 10 0 BEAERN COC(=O)/C=C1/CCc2ccc(F)cc21 ZINC000757192824 643365222 /nfs/dbraw/zinc/36/52/22/643365222.db2.gz VSDWFQUQEAHVQH-TWGQIWQCSA-N 0 0 206.216 2.328 10 0 BEAERN CC(C)[C@H](C)NC(=S)NC1(C)CC1 ZINC000307526627 643497310 /nfs/dbraw/zinc/49/73/10/643497310.db2.gz ROXKYTCJMKBNLR-QMMMGPOBSA-N 0 0 200.351 2.048 10 0 BEAERN C[C@H](CC1CC1)NC(=O)NCc1cscn1 ZINC000112718619 643532569 /nfs/dbraw/zinc/53/25/69/643532569.db2.gz JCIBKOBPGAUMGH-MRVPVSSYSA-N 0 0 239.344 2.131 10 0 BEAERN CC[C@@H]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000083436877 643534850 /nfs/dbraw/zinc/53/48/50/643534850.db2.gz LBEWSDJBWZWGDV-NQBHXWOUSA-N 0 0 225.332 2.267 10 0 BEAERN Cc1cnn2c1NC[C@@H](c1ccccc1)C2 ZINC000235970784 643555099 /nfs/dbraw/zinc/55/50/99/643555099.db2.gz DOEASWPTXZUKGC-GFCCVEGCSA-N 0 0 213.284 2.401 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC000346370941 643556974 /nfs/dbraw/zinc/55/69/74/643556974.db2.gz GGYQYEZIBXWFML-QWRGUYRKSA-N 0 0 247.338 2.065 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ncc(Cl)cc1F ZINC000307664655 643568047 /nfs/dbraw/zinc/56/80/47/643568047.db2.gz KTIDQYIXEURWDZ-PHDIDXHHSA-N 0 0 218.659 2.055 10 0 BEAERN CC(C)[C@@H](C)NC(=S)NC1CCC1 ZINC000307699944 643582166 /nfs/dbraw/zinc/58/21/66/643582166.db2.gz PNRWMWOGWIVXAS-MRVPVSSYSA-N 0 0 200.351 2.048 10 0 BEAERN FC(F)[C@@H]1CCNc2nc(C3CCC3)nn21 ZINC000236126173 643597067 /nfs/dbraw/zinc/59/70/67/643597067.db2.gz JVBKGPYQFHJPLC-ZETCQYMHSA-N 0 0 228.246 2.167 10 0 BEAERN CCc1nc(COc2cccc([C@H](C)O)c2)no1 ZINC000049335311 643617664 /nfs/dbraw/zinc/61/76/64/643617664.db2.gz DRSWYRNBRAMJMQ-VIFPVBQESA-N 0 0 248.282 2.264 10 0 BEAERN OC[C@@]12CC=CC[C@@]1(CO)CCc1ccccc12 ZINC000196252293 643623692 /nfs/dbraw/zinc/62/36/92/643623692.db2.gz CYHXCIAJIUKFLX-JKSUJKDBSA-N 0 0 244.334 2.192 10 0 BEAERN Cc1ccc(Cl)c(N[C@H](C)[C@H](C)O)n1 ZINC000307744154 643625146 /nfs/dbraw/zinc/62/51/46/643625146.db2.gz OCFLGWIDYSMONJ-SFYZADRCSA-N 0 0 214.696 2.225 10 0 BEAERN [NH3+]C[C@@H](CC(=O)[O-])c1ccc(C2CC2)cc1 ZINC000087014100 643645889 /nfs/dbraw/zinc/64/58/89/643645889.db2.gz HBOPYVWRMYBFKO-GFCCVEGCSA-N 0 0 219.284 2.081 10 0 BEAERN CCCc1nnc(-c2cccc(N)c2)o1 ZINC000050308452 643681795 /nfs/dbraw/zinc/68/17/95/643681795.db2.gz CGTAFKXSPGMQQP-UHFFFAOYSA-N 0 0 203.245 2.271 10 0 BEAERN C[C@H](CO)CSC[C@@H](O)c1ccccc1 ZINC000085138509 643687693 /nfs/dbraw/zinc/68/76/93/643687693.db2.gz VLTZWQKPTWXEPV-ZYHUDNBSSA-N 0 0 226.341 2.082 10 0 BEAERN CCCCOCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192203200 644136466 /nfs/dbraw/zinc/13/64/66/644136466.db2.gz RSTUPVYDDQHNFH-VXGBXAGGSA-N 0 0 244.331 2.161 10 0 BEAERN COC(=O)[C@@H](C)[C@@H]1CCCc2cccnc21 ZINC000086734495 644170004 /nfs/dbraw/zinc/17/00/04/644170004.db2.gz NZCZYRWHIBNDIG-ONGXEEELSA-N 0 0 219.284 2.311 10 0 BEAERN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1C[C@H]1C ZINC000321922454 644182202 /nfs/dbraw/zinc/18/22/02/644182202.db2.gz RGLCMPHTJMQLPA-FXPVBKGRSA-N 0 0 246.310 2.474 10 0 BEAERN CC[C@@H](OC(=O)CO)c1cccc(Cl)c1 ZINC000193636842 644263589 /nfs/dbraw/zinc/26/35/89/644263589.db2.gz GHFSUGMTQNCGAF-SNVBAGLBSA-N 0 0 228.675 2.327 10 0 BEAERN CCOCC(=O)O[C@@H](C)c1cccs1 ZINC000194562344 644327642 /nfs/dbraw/zinc/32/76/42/644327642.db2.gz MPTRRPPTKWXPSF-QMMMGPOBSA-N 0 0 214.286 2.389 10 0 BEAERN Cn1c(CN2CCCCCCC2)nnc1C1CC1 ZINC000195011653 644355663 /nfs/dbraw/zinc/35/56/63/644355663.db2.gz LPGCHKXAPIYNMI-UHFFFAOYSA-N 0 0 248.374 2.459 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1ccc(Cl)nn1 ZINC000082997424 644398595 /nfs/dbraw/zinc/39/85/95/644398595.db2.gz IAQRHTWHFCWOCJ-IUCAKERBSA-N 0 0 241.722 2.093 10 0 BEAERN CCc1ccsc1-c1cc(N)n(C)n1 ZINC000087017182 644475582 /nfs/dbraw/zinc/47/55/82/644475582.db2.gz KLJWKRLWHIKUTC-UHFFFAOYSA-N 0 0 207.302 2.293 10 0 BEAERN Nc1cc(-c2cccc(Cl)c2F)[nH]n1 ZINC000088121934 644509869 /nfs/dbraw/zinc/50/98/69/644509869.db2.gz CQGQKJXUJUAIHH-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN COC[C@H](C)C(=O)O[C@H]1C[C@](C)(OC)C1(C)C ZINC000246129391 644566624 /nfs/dbraw/zinc/56/66/24/644566624.db2.gz QLFQWPPZQNNBMJ-KWBADKCTSA-N 0 0 244.331 2.016 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC[C@@H]2CC=CCC2)O1 ZINC000246253034 644576538 /nfs/dbraw/zinc/57/65/38/644576538.db2.gz ABCQUXLEXACJCP-UTUOFQBUSA-N 0 0 224.300 2.453 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC[C@H]2CCC(C)(C)O2)O1 ZINC000248802771 644700057 /nfs/dbraw/zinc/70/00/57/644700057.db2.gz AMYDXUOSQNYQCV-MXWKQRLJSA-N 0 0 242.315 2.055 10 0 BEAERN CCOC[C@H](C)OC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000248898037 644704968 /nfs/dbraw/zinc/70/49/68/644704968.db2.gz URMMPTZXSILJGJ-WOPDTQHZSA-N 0 0 244.331 2.302 10 0 BEAERN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000095742463 644770877 /nfs/dbraw/zinc/77/08/77/644770877.db2.gz HJFMEBROZSGPLZ-VIFPVBQESA-N 0 0 245.319 2.099 10 0 BEAERN C[C@H](C(N)=O)N(C)[C@H](C)c1ccccc1Cl ZINC000251557296 644809161 /nfs/dbraw/zinc/80/91/61/644809161.db2.gz RPZZWJVCZBTIPE-RKDXNWHRSA-N 0 0 240.734 2.207 10 0 BEAERN C[C@H]1C[NH2+]C[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757214083 644864410 /nfs/dbraw/zinc/86/44/10/644864410.db2.gz LEEDOYZHIKQSDA-BXKDBHETSA-N 0 0 219.284 2.098 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1CC1(Cl)Cl ZINC000097039101 644864458 /nfs/dbraw/zinc/86/44/58/644864458.db2.gz LRHFFPCNTKALLT-BQBZGAKWSA-N 0 0 224.131 2.341 10 0 BEAERN CC(C)(Br)COC(=O)c1cocn1 ZINC000757543365 644870598 /nfs/dbraw/zinc/87/05/98/644870598.db2.gz ZRSDRXDCEDHETL-UHFFFAOYSA-N 0 0 248.076 2.005 10 0 BEAERN COC(=O)[C@@H](NC[C@H](C)C(C)(C)C)C(C)C ZINC000304239648 644878449 /nfs/dbraw/zinc/87/84/49/644878449.db2.gz CVVKSZLIFKYSPP-QWRGUYRKSA-N 0 0 229.364 2.456 10 0 BEAERN N[C@H](CC1CC1)c1nc(CC2CCC2)no1 ZINC000304574326 644918125 /nfs/dbraw/zinc/91/81/25/644918125.db2.gz IMJCBXUGTLDLQH-SNVBAGLBSA-N 0 0 221.304 2.212 10 0 BEAERN Cc1occc1C(=O)OCCc1cccnc1 ZINC000105555232 645336213 /nfs/dbraw/zinc/33/62/13/645336213.db2.gz FALGNDWPWKZAIR-UHFFFAOYSA-N 0 0 231.251 2.383 10 0 BEAERN O[C@H]1CCC[C@H](Nc2cc(C(F)F)ncn2)C1 ZINC000724616800 711598996 /nfs/dbraw/zinc/59/89/96/711598996.db2.gz BYXLERKGPCRBTK-YUMQZZPRSA-N 0 0 243.257 2.130 10 0 BEAERN CSCCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192104578 711708127 /nfs/dbraw/zinc/70/81/27/711708127.db2.gz VIRLFSNYVDUKBC-VHSXEESVSA-N 0 0 232.345 2.098 10 0 BEAERN CC1(C)C[C@]1(C)NC(=O)c1ccc(F)cc1N ZINC000702018278 712036880 /nfs/dbraw/zinc/03/68/80/712036880.db2.gz VBAUIORTIDCYBB-ZDUSSCGKSA-N 0 0 236.290 2.326 10 0 BEAERN CC[C@H](C)CC(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707804095 712178634 /nfs/dbraw/zinc/17/86/34/712178634.db2.gz BSIMONGDUFDUER-CMPLNLGQSA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@H](NC(=O)/C=C\SC)C(C)C ZINC000379409284 712383262 /nfs/dbraw/zinc/38/32/62/712383262.db2.gz CPLMTTLLVJTWJX-NMTCXDENSA-N 0 0 201.335 2.414 10 0 BEAERN C[C@@H](Nc1ccnc(Cl)c1)c1cn(C)nn1 ZINC000715837239 712535361 /nfs/dbraw/zinc/53/53/61/712535361.db2.gz NMHYDLKDIMIHOA-SSDOTTSWSA-N 0 0 237.694 2.037 10 0 BEAERN CC[C@H](C[C@H](C)O)NC(=O)[C@H]1CCC[C@@H]1C ZINC000716799302 712574801 /nfs/dbraw/zinc/57/48/01/712574801.db2.gz YFUQJGUVRAPIGL-YFKTTZPYSA-N 0 0 227.348 2.088 10 0 BEAERN C[C@@H]1C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724357744 710739942 /nfs/dbraw/zinc/73/99/42/710739942.db2.gz LLXQGFWJFJZWOJ-RKDXNWHRSA-N 0 0 208.305 2.470 10 0 BEAERN C[C@@H]1CCN(C(=O)N2CCCCC2)[C@@H]1C ZINC000380745445 712902730 /nfs/dbraw/zinc/90/27/30/712902730.db2.gz IPKNHOTZIYMWTL-GHMZBOCLSA-N 0 0 210.321 2.323 10 0 BEAERN COC(C)(C)CCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192108352 711707939 /nfs/dbraw/zinc/70/79/39/711707939.db2.gz WJJYGTYMRRLMRJ-QWRGUYRKSA-N 0 0 244.331 2.160 10 0 BEAERN CSCCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192104583 711708078 /nfs/dbraw/zinc/70/80/78/711708078.db2.gz VIRLFSNYVDUKBC-ZJUUUORDSA-N 0 0 232.345 2.098 10 0 BEAERN CC(C)CCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192106894 711708089 /nfs/dbraw/zinc/70/80/89/711708089.db2.gz ZIROCXKGRQVBMZ-WDEREUQCSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722319386 711735196 /nfs/dbraw/zinc/73/51/96/711735196.db2.gz FDFLJTSJKJMTCT-QWRGUYRKSA-N 0 0 227.304 2.079 10 0 BEAERN CC(C)CCNc1noc2c1CCOC2 ZINC000669384786 711790270 /nfs/dbraw/zinc/79/02/70/711790270.db2.gz GJBDKUGAWBHVJZ-UHFFFAOYSA-N 0 0 210.277 2.205 10 0 BEAERN CCCn1cc([C@@H](O)c2ccccc2)cn1 ZINC000043468502 711815891 /nfs/dbraw/zinc/81/58/91/711815891.db2.gz ZYMSNYSATRDQHW-ZDUSSCGKSA-N 0 0 216.284 2.375 10 0 BEAERN CC(C)C[C@H](O)CNc1nccnc1C(C)C ZINC000700137537 711986926 /nfs/dbraw/zinc/98/69/26/711986926.db2.gz NURSFBSXMURVMP-NSHDSACASA-N 0 0 237.347 2.419 10 0 BEAERN Cc1cnc(CN[C@H]2COc3ccccc32)o1 ZINC000700362573 711990755 /nfs/dbraw/zinc/99/07/55/711990755.db2.gz SOYZTBNVNJSJLL-NSHDSACASA-N 0 0 230.267 2.206 10 0 BEAERN Cc1cc(=O)[nH]c(CN[C@@H](C)c2ccccc2)n1 ZINC000700460181 711996177 /nfs/dbraw/zinc/99/61/77/711996177.db2.gz AEFKLCCOWYZDQM-NSHDSACASA-N 0 0 243.310 2.341 10 0 BEAERN CC1(NC(=O)c2ccc(F)cc2N)CC=CC1 ZINC000702159048 712040117 /nfs/dbraw/zinc/04/01/17/712040117.db2.gz ZNBPLZLLHWIKFF-UHFFFAOYSA-N 0 0 234.274 2.246 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(O)c1 ZINC000705574018 712133451 /nfs/dbraw/zinc/13/34/51/712133451.db2.gz PSPSRFITEYOXMJ-CHWSQXEVSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cccc(C(=O)O[C@@H]2COC[C@@H]2C)c1F ZINC000705812131 712135766 /nfs/dbraw/zinc/13/57/66/712135766.db2.gz IJPLUQBFNDYNTP-GXSJLCMTSA-N 0 0 238.258 2.326 10 0 BEAERN C[C@H]1CC[C@H](C)N1C(=O)c1ccc(F)cc1N ZINC000706279222 712142486 /nfs/dbraw/zinc/14/24/86/712142486.db2.gz NTZXMJLPGWLGQZ-IUCAKERBSA-N 0 0 236.290 2.421 10 0 BEAERN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(F)cc1N ZINC000706279220 712142966 /nfs/dbraw/zinc/14/29/66/712142966.db2.gz NTZXMJLPGWLGQZ-DTORHVGOSA-N 0 0 236.290 2.421 10 0 BEAERN CNc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000706754520 712153934 /nfs/dbraw/zinc/15/39/34/712153934.db2.gz NKYASIYEWSNHBZ-JQWIXIFHSA-N 0 0 245.326 2.056 10 0 BEAERN CC[N@H+](C[C@@H](C)C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000707952705 712174129 /nfs/dbraw/zinc/17/41/29/712174129.db2.gz XMQUSJNOLMRGTL-ZJUUUORDSA-N 0 0 215.337 2.464 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000707805933 712179154 /nfs/dbraw/zinc/17/91/54/712179154.db2.gz JRVVIOUFWFQKLI-JQWIXIFHSA-N 0 0 225.332 2.106 10 0 BEAERN CCC1(C(=O)N2CCC[C@H](C(C)=O)C2)CC1 ZINC000707807140 712179318 /nfs/dbraw/zinc/17/93/18/712179318.db2.gz MHGDELIPTJUIHW-NSHDSACASA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC000707830787 712179367 /nfs/dbraw/zinc/17/93/67/712179367.db2.gz ALFXRUZOHXYOFR-NSHDSACASA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000707845588 712179617 /nfs/dbraw/zinc/17/96/17/712179617.db2.gz IJPYFZWZFPCENN-STQMWFEESA-N 0 0 249.354 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C)C1 ZINC000707841399 712179732 /nfs/dbraw/zinc/17/97/32/712179732.db2.gz WAMZLUVXDJUUQR-UHTWSYAYSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000707841144 712179745 /nfs/dbraw/zinc/17/97/45/712179745.db2.gz VNNLMOFFZAQLEI-LLVKDONJSA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000707842356 712179757 /nfs/dbraw/zinc/17/97/57/712179757.db2.gz XVRRPBBKOCSZCY-CYBMUJFWSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC000707838093 712180029 /nfs/dbraw/zinc/18/00/29/712180029.db2.gz RPKUKCWRMQZPHT-GFCCVEGCSA-N 0 0 249.354 2.394 10 0 BEAERN CCCC1(C(=O)N2CCC[C@@H](C(C)=O)C2)CC1 ZINC000707842149 712180039 /nfs/dbraw/zinc/18/00/39/712180039.db2.gz WJCLLKWDXNBBBE-GFCCVEGCSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000707863826 712180460 /nfs/dbraw/zinc/18/04/60/712180460.db2.gz YTFPEZWOVLGCLJ-MQYQWHSLSA-N 0 0 249.354 2.250 10 0 BEAERN CSC1CC(Nc2ncc(C)c(C)n2)C1 ZINC000708244619 712184491 /nfs/dbraw/zinc/18/44/91/712184491.db2.gz TYJNWZVUJONSHK-UHFFFAOYSA-N 0 0 223.345 2.399 10 0 BEAERN CSC1CC(Nc2ncc(Cl)cn2)C1 ZINC000708269950 712184732 /nfs/dbraw/zinc/18/47/32/712184732.db2.gz PKFNJXWQGVEHDI-UHFFFAOYSA-N 0 0 229.736 2.436 10 0 BEAERN CC(C)c1nn(C)cc1N[C@@H](C)c1cn(C)cn1 ZINC000710009965 712240248 /nfs/dbraw/zinc/24/02/48/712240248.db2.gz CCZUKNFNURHJOJ-JTQLQIEISA-N 0 0 247.346 2.450 10 0 BEAERN C/C=C/C(=O)N1CCC(c2nccs2)CC1 ZINC000710788199 712256655 /nfs/dbraw/zinc/25/66/55/712256655.db2.gz QPFVTTYUMJEAAY-NSCUHMNNSA-N 0 0 236.340 2.425 10 0 BEAERN CSCCC(=O)OC[C@@H]1CC1(C)C ZINC000379371181 712378930 /nfs/dbraw/zinc/37/89/30/712378930.db2.gz HMRDOHVIIXBHIY-QMMMGPOBSA-N 0 0 202.319 2.329 10 0 BEAERN Cc1ccc([C@H](C)N[C@H](C)c2cn(C)nn2)o1 ZINC000715863610 712537104 /nfs/dbraw/zinc/53/71/04/712537104.db2.gz YFVLGIFKRFPGBN-ZJUUUORDSA-N 0 0 234.303 2.128 10 0 BEAERN C[C@@H](N[C@H]1CCc2ccccc21)c1cn(C)nn1 ZINC000715904820 712541736 /nfs/dbraw/zinc/54/17/36/712541736.db2.gz WUHSETFTNONTFT-MFKMUULPSA-N 0 0 242.326 2.153 10 0 BEAERN CC[C@H](C[C@H](C)O)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000716799297 712574775 /nfs/dbraw/zinc/57/47/75/712574775.db2.gz YFUQJGUVRAPIGL-NNYUYHANSA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000717115835 712632786 /nfs/dbraw/zinc/63/27/86/712632786.db2.gz WVBAOLZUVFRXKP-NAKRPEOUSA-N 0 0 211.305 2.413 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1cscc1C(F)F ZINC000717241667 712641396 /nfs/dbraw/zinc/64/13/96/712641396.db2.gz LOWYMJZTQHIGRX-PHDIDXHHSA-N 0 0 249.282 2.185 10 0 BEAERN CCOC(=O)CSC[C@@H](O)c1ccccc1 ZINC000037487827 712651191 /nfs/dbraw/zinc/65/11/91/712651191.db2.gz CNEPSHYHOUCTIW-LLVKDONJSA-N 0 0 240.324 2.016 10 0 BEAERN Cc1coc(C(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000718488383 712766212 /nfs/dbraw/zinc/76/62/12/712766212.db2.gz HRDQILSBGZHVNZ-NXEZZACHSA-N 0 0 205.257 2.213 10 0 BEAERN O=C(NCC1CC(O)C1)[C@H]1CCC=CCCC1 ZINC000719112611 712798386 /nfs/dbraw/zinc/79/83/86/712798386.db2.gz YAZQTRVEOWUTTG-CPCZMJQVSA-N 0 0 237.343 2.010 10 0 BEAERN Cc1cc2c(NCc3ccncc3)nccn2n1 ZINC000129128575 1166154227 /nfs/dbraw/zinc/15/42/27/1166154227.db2.gz NZUUEVDJWMAQBS-UHFFFAOYSA-N 0 0 239.282 2.045 10 0 BEAERN CNc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)nc1 ZINC000129341653 1166175111 /nfs/dbraw/zinc/17/51/11/1166175111.db2.gz HLPKHZCXZSUTLI-UWVGGRQHSA-N 0 0 233.315 2.042 10 0 BEAERN O=Cc1cnc(Oc2ccc(F)c(F)c2)nc1 ZINC000126386518 1166361991 /nfs/dbraw/zinc/36/19/91/1166361991.db2.gz HZDHMFJQADYTCV-UHFFFAOYSA-N 0 0 236.177 2.360 10 0 BEAERN CCn1cccc1C(=O)Nc1cccc(O)c1 ZINC000036855594 1166523618 /nfs/dbraw/zinc/52/36/18/1166523618.db2.gz VXFQNEMOAXKBRW-UHFFFAOYSA-N 0 0 230.267 2.466 10 0 BEAERN CSc1ccc(NCc2nccn2C)cn1 ZINC000125079622 1166831990 /nfs/dbraw/zinc/83/19/90/1166831990.db2.gz IRQOYPJOIUFOLL-UHFFFAOYSA-N 0 0 234.328 2.149 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CC1CC2(CCC2)C1 ZINC000694007030 976662554 /nfs/dbraw/zinc/66/25/54/976662554.db2.gz JTPDTZOUQOUNBR-UHFFFAOYSA-N 0 0 225.332 2.410 10 0 BEAERN O=C([O-])[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000695100069 976777529 /nfs/dbraw/zinc/77/75/29/976777529.db2.gz BMYTZXVNLLGUEC-IUCAKERBSA-N 0 0 233.258 2.017 10 0 BEAERN CCCC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706323506 977312873 /nfs/dbraw/zinc/31/28/73/977312873.db2.gz CLFMPFDAGQQYOI-RKDXNWHRSA-N 0 0 235.274 2.217 10 0 BEAERN O=C([O-])c1occc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706325596 977313044 /nfs/dbraw/zinc/31/30/44/977313044.db2.gz LNKQGGOIGQGGEB-QMMMGPOBSA-N 0 0 245.225 2.065 10 0 BEAERN CCCC[C@@H]([NH2+]CC1CC=CC1)C(=O)[O-] ZINC000717314538 977893179 /nfs/dbraw/zinc/89/31/79/977893179.db2.gz OTAIPFTYQCNWRO-LLVKDONJSA-N 0 0 211.305 2.186 10 0 BEAERN FC(F)c1nnc(NCc2ccncc2)s1 ZINC000134997461 1168255802 /nfs/dbraw/zinc/25/58/02/1168255802.db2.gz VPYAVJJACHCMFO-UHFFFAOYSA-N 0 0 242.254 2.483 10 0 BEAERN CCC[C@@H](C)NC(=O)c1ccc(NC)cn1 ZINC000130030746 1168837626 /nfs/dbraw/zinc/83/76/26/1168837626.db2.gz IBRRYGCJGYBVMX-SECBINFHSA-N 0 0 221.304 2.042 10 0 BEAERN CC(C)C1(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000687530407 954617125 /nfs/dbraw/zinc/61/71/25/954617125.db2.gz VHALDBVOQOGSNH-VXGBXAGGSA-N 0 0 239.359 2.465 10 0 BEAERN C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)C(=O)[O-])CS1 ZINC000689554718 954661214 /nfs/dbraw/zinc/66/12/14/954661214.db2.gz LYBAPPXPUACZIC-ZJUUUORDSA-N 0 0 245.388 2.361 10 0 BEAERN C[C@H]1CC[C@H]([NH2+]CCC(C)(C)C(=O)[O-])CS1 ZINC000689554716 954661365 /nfs/dbraw/zinc/66/13/65/954661365.db2.gz LYBAPPXPUACZIC-UWVGGRQHSA-N 0 0 245.388 2.361 10 0 BEAERN CC(C)C[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000693453605 954755012 /nfs/dbraw/zinc/75/50/12/954755012.db2.gz ZEBMYYWSSAECEF-SRVKXCTJSA-N 0 0 227.348 2.464 10 0 BEAERN CC[C@@H]([NH2+][C@@H]1CCC12CCCC2)C(=O)[O-] ZINC000694398427 954774849 /nfs/dbraw/zinc/77/48/49/954774849.db2.gz RRCIWKMOJUNZAE-NXEZZACHSA-N 0 0 211.305 2.162 10 0 BEAERN CC(C)[C@H]([NH2+][C@H]1CCC12CCCC2)C(=O)[O-] ZINC000694335473 954775077 /nfs/dbraw/zinc/77/50/77/954775077.db2.gz YCMJWEINWHYBBV-QWRGUYRKSA-N 0 0 225.332 2.408 10 0 BEAERN CC(C)[C@H]([NH2+][C@@H]1CCC12CCCC2)C(=O)[O-] ZINC000694335472 954775104 /nfs/dbraw/zinc/77/51/04/954775104.db2.gz YCMJWEINWHYBBV-MNOVXSKESA-N 0 0 225.332 2.408 10 0 BEAERN C[C@H](C[NH2+][C@@H]1CCC12CCCC2)C(=O)[O-] ZINC000694397551 954775185 /nfs/dbraw/zinc/77/51/85/954775185.db2.gz QCVLFWGDDOVSCK-NXEZZACHSA-N 0 0 211.305 2.020 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000694538235 954778075 /nfs/dbraw/zinc/77/80/75/954778075.db2.gz IQNOFAGJCXIVIQ-GHMZBOCLSA-N 0 0 213.321 2.218 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000694538238 954778812 /nfs/dbraw/zinc/77/88/12/954778812.db2.gz IQNOFAGJCXIVIQ-QWRGUYRKSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1C[C@@H]([NH2+]CCCCCC(=O)[O-])C[C@H](C)O1 ZINC000702163205 954897625 /nfs/dbraw/zinc/89/76/25/954897625.db2.gz HDXGCYZTIJOPTM-ZSBIGDGJSA-N 0 0 243.347 2.177 10 0 BEAERN C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706735707 954955067 /nfs/dbraw/zinc/95/50/67/954955067.db2.gz UGZDEXFEVULWKG-ZJUUUORDSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000706732167 954955595 /nfs/dbraw/zinc/95/55/95/954955595.db2.gz KGBAOCSFUOYHQD-UWVGGRQHSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1C ZINC000706917554 954960585 /nfs/dbraw/zinc/96/05/85/954960585.db2.gz QSZWBELAISXFPO-SFYZADRCSA-N 0 0 225.313 2.287 10 0 BEAERN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708533930 955001139 /nfs/dbraw/zinc/00/11/39/955001139.db2.gz YTORCKJTTQYYJZ-ZJUUUORDSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)SCC[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000710527943 955027875 /nfs/dbraw/zinc/02/78/75/955027875.db2.gz PRZLKEVGJYZNHC-GHMZBOCLSA-N 0 0 245.388 2.171 10 0 BEAERN CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000710540439 955029388 /nfs/dbraw/zinc/02/93/88/955029388.db2.gz XWDYUNVRQKJVGG-DCAQKATOSA-N 0 0 213.321 2.218 10 0 BEAERN CCCCC(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000112024278 972203271 /nfs/dbraw/zinc/20/32/71/972203271.db2.gz XHSYOEVYSHJCTI-LLVKDONJSA-N 0 0 239.319 2.382 10 0 BEAERN COCCCCOC(=O)/C=C\c1ncccc1C ZINC000588456530 958583451 /nfs/dbraw/zinc/58/34/51/958583451.db2.gz XYTXVXDOVNYUTC-FPLPWBNLSA-N 0 0 249.310 2.373 10 0 BEAERN C[C@@H](CNC(=O)c1cc(F)ccc1N)C1CC1 ZINC000124630728 958649024 /nfs/dbraw/zinc/64/90/24/958649024.db2.gz UZUCULRVYIERJZ-QMMMGPOBSA-N 0 0 236.290 2.184 10 0 BEAERN COC[C@@H](C)COC(=O)/C=C(/C)C1CC1 ZINC000588485589 958750441 /nfs/dbraw/zinc/75/04/41/958750441.db2.gz HKSNBAOSXQBEHZ-WPVMNKCKSA-N 0 0 212.289 2.168 10 0 BEAERN COC(=O)C[C@H](C)OC(=O)/C=C\C(C)(C)C ZINC000588509739 958875261 /nfs/dbraw/zinc/87/52/61/958875261.db2.gz WBVXVHBGSWOAME-NMTCXDENSA-N 0 0 228.288 2.084 10 0 BEAERN C/C=C(\CC)C(=O)O[C@@H](COC)C1CC1 ZINC000588570006 959260430 /nfs/dbraw/zinc/26/04/30/959260430.db2.gz JLEXPYABUKJEJJ-VKJYCEFSSA-N 0 0 212.289 2.311 10 0 BEAERN C/C=C\C(=O)N[C@H]1CCc2ccccc2C1 ZINC000211355978 966728053 /nfs/dbraw/zinc/72/80/53/966728053.db2.gz IYTZBYCZRXZHSW-LWJUFGILSA-N 0 0 215.296 2.236 10 0 BEAERN COC1(C[NH2+]CCCCC(=O)[O-])CCCCC1 ZINC000692413459 968913759 /nfs/dbraw/zinc/91/37/59/968913759.db2.gz FCOJQFJOHOSPHX-UHFFFAOYSA-N 0 0 243.347 2.180 10 0 BEAERN CC[N@H+](CCOC1CCCCC1)[C@@H](C)C(=O)[O-] ZINC000701322673 968985515 /nfs/dbraw/zinc/98/55/15/968985515.db2.gz KVUAXYFSXAZMOS-NSHDSACASA-N 0 0 243.347 2.131 10 0 BEAERN O=C([O-])CCCC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC000707873820 969026794 /nfs/dbraw/zinc/02/67/94/969026794.db2.gz DOMIITGBSVMMAG-SDDRHHMPSA-N 0 0 225.332 2.410 10 0 BEAERN CC1CC(C[N@H+](C)Cc2ccc(C(=O)[O-])cn2)C1 ZINC000691078707 976347305 /nfs/dbraw/zinc/34/73/05/976347305.db2.gz KWPACQOTLRFFMT-UHFFFAOYSA-N 0 0 248.326 2.258 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691934937 976390831 /nfs/dbraw/zinc/39/08/31/976390831.db2.gz BMJUCFCUDMCOLD-GHMZBOCLSA-N 0 0 243.347 2.177 10 0 BEAERN O=C([O-])[C@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000692681712 976533967 /nfs/dbraw/zinc/53/39/67/976533967.db2.gz ZTIPWVFUVGXRCY-CYBMUJFWSA-N 0 0 245.278 2.238 10 0 BEAERN CC[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)C(=O)[O-] ZINC000693610256 976647423 /nfs/dbraw/zinc/64/74/23/976647423.db2.gz POKXLHUQJJQNSH-JBLDHEPKSA-N 0 0 211.305 2.020 10 0 BEAERN CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)C(=O)[O-] ZINC000697047746 976830998 /nfs/dbraw/zinc/83/09/98/976830998.db2.gz PQWOZGWMRNBJPD-SSDOTTSWSA-N 0 0 223.263 2.121 10 0 BEAERN CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)C(=O)[O-] ZINC000697047748 976831934 /nfs/dbraw/zinc/83/19/34/976831934.db2.gz PQWOZGWMRNBJPD-ZETCQYMHSA-N 0 0 223.263 2.121 10 0 BEAERN CC(C)(CC[NH2+]C1(C2CCC2)CC1)C(=O)[O-] ZINC000697422153 976843947 /nfs/dbraw/zinc/84/39/47/976843947.db2.gz XFMXGBUEJXBMPJ-UHFFFAOYSA-N 0 0 225.332 2.410 10 0 BEAERN CCC1C[NH+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000697888292 976866821 /nfs/dbraw/zinc/86/68/21/976866821.db2.gz HOOBJVOUUJEUEI-UHFFFAOYSA-N 0 0 223.272 2.128 10 0 BEAERN CC1([NH2+]Cc2ccoc2C(=O)[O-])CC=CC1 ZINC000702131688 977066181 /nfs/dbraw/zinc/06/61/81/977066181.db2.gz LTEIUYFTYFKSMB-UHFFFAOYSA-N 0 0 221.256 2.176 10 0 BEAERN CC(C)(CC[NH2+]C1(C)CC=CC1)C(=O)[O-] ZINC000702148291 977067553 /nfs/dbraw/zinc/06/75/53/977067553.db2.gz KHHJHIWKPCHVBC-UHFFFAOYSA-N 0 0 211.305 2.186 10 0 BEAERN C[C@H](F)CC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000702560445 977090713 /nfs/dbraw/zinc/09/07/13/977090713.db2.gz BQLNIFYXNNLFMF-VIFPVBQESA-N 0 0 225.263 2.223 10 0 BEAERN C[C@@H](F)CC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000702560443 977091189 /nfs/dbraw/zinc/09/11/89/977091189.db2.gz BQLNIFYXNNLFMF-SECBINFHSA-N 0 0 225.263 2.223 10 0 BEAERN O=C([O-])[C@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000702667177 977099800 /nfs/dbraw/zinc/09/98/00/977099800.db2.gz YWMOSLPRTZGCGS-CYBMUJFWSA-N 0 0 245.322 2.171 10 0 BEAERN CC1([NH2+]Cc2ncc(C(=O)[O-])s2)CC=CC1 ZINC000705295081 977271620 /nfs/dbraw/zinc/27/16/20/977271620.db2.gz FQRKCEOWVLOIIW-UHFFFAOYSA-N 0 0 238.312 2.040 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[NH2+]CC[C@@H](C)F ZINC000705442332 977278148 /nfs/dbraw/zinc/27/81/48/977278148.db2.gz DZKGJABFFBKHFX-SSDOTTSWSA-N 0 0 229.251 2.124 10 0 BEAERN CC[N@H+](Cc1ccnc(C)c1)C(C)(C)C(=O)[O-] ZINC000705836023 977296562 /nfs/dbraw/zinc/29/65/62/977296562.db2.gz LCPYWZAIUYDYKK-UHFFFAOYSA-N 0 0 236.315 2.075 10 0 BEAERN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)C1(C)CC1 ZINC000706599396 977356138 /nfs/dbraw/zinc/35/61/38/977356138.db2.gz QDZQAJBHGZGIAT-MRVPVSSYSA-N 0 0 223.272 2.256 10 0 BEAERN CC[N@H+](Cc1oncc1C(=O)[O-])[C@H](C)C(C)C ZINC000706665815 977358365 /nfs/dbraw/zinc/35/83/65/977358365.db2.gz AHRDSKDGVHVXKO-SECBINFHSA-N 0 0 240.303 2.239 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000706743104 977360640 /nfs/dbraw/zinc/36/06/40/977360640.db2.gz MEAVZWFULNJZIL-WDEREUQCSA-N 0 0 249.310 2.104 10 0 BEAERN CC[N@H+](Cc1nc(C(=O)[O-])cs1)C1CCC1 ZINC000706854228 977365041 /nfs/dbraw/zinc/36/50/41/977365041.db2.gz YJZWEISASMOEAQ-UHFFFAOYSA-N 0 0 240.328 2.216 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000707301666 977381552 /nfs/dbraw/zinc/38/15/52/977381552.db2.gz FZCLSYXELDBTBV-YAEJEKNGSA-N 0 0 243.372 2.091 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000707301662 977381941 /nfs/dbraw/zinc/38/19/41/977381941.db2.gz FZCLSYXELDBTBV-CDCCAWJDSA-N 0 0 243.372 2.091 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708821159 977444549 /nfs/dbraw/zinc/44/45/49/977444549.db2.gz DEHYNMNPXUDTLA-NEPJUHHUSA-N 0 0 225.332 2.362 10 0 BEAERN CC[C@@H](C)C[N@H+](CC)CC1(C(=O)[O-])CC1 ZINC000709492477 977460513 /nfs/dbraw/zinc/46/05/13/977460513.db2.gz AGXYOCWWTQGIHN-SNVBAGLBSA-N 0 0 213.321 2.219 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])N1CCC=C(F)C1 ZINC000710052011 977477512 /nfs/dbraw/zinc/47/75/12/977477512.db2.gz BJPZYJPMZUUZLH-SNVBAGLBSA-N 0 0 215.268 2.045 10 0 BEAERN O=C([O-])c1ccc(F)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000711059884 977528137 /nfs/dbraw/zinc/52/81/37/977528137.db2.gz MCWPYQOABXVWSL-MWLCHTKSSA-N 0 0 249.285 2.366 10 0 BEAERN CC[C@@](C)([NH2+]C[C@@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381821 977634034 /nfs/dbraw/zinc/63/40/34/977634034.db2.gz OKRHOJAJTIJLDB-GXFFZTMASA-N 0 0 243.347 2.035 10 0 BEAERN C=C/C=C\CC[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000713700450 977656943 /nfs/dbraw/zinc/65/69/43/977656943.db2.gz BWXRUOGENAMDTG-FPLPWBNLSA-N 0 0 211.305 2.304 10 0 BEAERN CCC[NH+](CCC)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000714800372 977678332 /nfs/dbraw/zinc/67/83/32/977678332.db2.gz ZVGZAKYUHHYSAG-RKDXNWHRSA-N 0 0 235.274 2.074 10 0 BEAERN CCC[C@H](CC)[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715231542 977699786 /nfs/dbraw/zinc/69/97/86/977699786.db2.gz SSLBNMFEQWFYDA-CIUDSAMLSA-N 0 0 235.274 2.121 10 0 BEAERN CCC[C@H](CC)[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715231543 977699837 /nfs/dbraw/zinc/69/98/37/977699837.db2.gz SSLBNMFEQWFYDA-DJLDLDEBSA-N 0 0 235.274 2.121 10 0 BEAERN CCC[C@H](CC)[NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715231548 977699842 /nfs/dbraw/zinc/69/98/42/977699842.db2.gz SSLBNMFEQWFYDA-YIZRAAEISA-N 0 0 235.274 2.121 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715282206 977723308 /nfs/dbraw/zinc/72/33/08/977723308.db2.gz HAJXBPYVXGNCAN-IMSYWVGJSA-N 0 0 247.285 2.121 10 0 BEAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CC23CC3)cc1F ZINC000715624752 977774406 /nfs/dbraw/zinc/77/44/06/977774406.db2.gz GOACGGYHFRYIEZ-LLVKDONJSA-N 0 0 235.258 2.166 10 0 BEAERN CCCC[C@@H]([NH2+][C@@H](C)c1ccns1)C(=O)[O-] ZINC000715976850 977802192 /nfs/dbraw/zinc/80/21/92/977802192.db2.gz UPSQQZCRRHFDHK-DTWKUNHWSA-N 0 0 242.344 2.437 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000717381689 977896893 /nfs/dbraw/zinc/89/68/93/977896893.db2.gz FHTFYVWSARSHBP-QWRGUYRKSA-N 0 0 243.347 2.035 10 0 BEAERN C/C(=C\C[NH2+]C1(C2CCC2)CCC1)C(=O)[O-] ZINC000717884301 977923512 /nfs/dbraw/zinc/92/35/12/977923512.db2.gz RMCFICQEIBMYHF-UXBLZVDNSA-N 0 0 223.316 2.330 10 0 BEAERN Cc1coc(C[N@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000718057308 977937633 /nfs/dbraw/zinc/93/76/33/977937633.db2.gz ADJAOQPSFBMCAJ-UHFFFAOYSA-N 0 0 237.299 2.417 10 0 BEAERN C[C@H](C1CC1)[N@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542160 978118701 /nfs/dbraw/zinc/11/87/01/978118701.db2.gz SCKVLLRCFWUZPD-SECBINFHSA-N 0 0 234.299 2.010 10 0 BEAERN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721583596 978119690 /nfs/dbraw/zinc/11/96/90/978119690.db2.gz GEKXDHUMMPEVFJ-VHSXEESVSA-N 0 0 234.299 2.010 10 0 BEAERN CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693334 978164544 /nfs/dbraw/zinc/16/45/44/978164544.db2.gz NOLQVVXGGUSFPH-WHOHXGKFSA-N 0 0 227.348 2.464 10 0 BEAERN CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000723140473 978172030 /nfs/dbraw/zinc/17/20/30/978172030.db2.gz RXOJFQWJOUAXOF-CZXHOFHRSA-N 0 0 237.343 2.362 10 0 BEAERN Cc1cc(-n2nc(C(=O)[O-])cc2C2CC2)cc[nH+]1 ZINC000958692728 982921826 /nfs/dbraw/zinc/92/18/26/982921826.db2.gz FEPHHUMCYKOLPG-UHFFFAOYSA-N 0 0 243.266 2.151 10 0 BEAERN Oc1ccc(CNCc2cc[nH]n2)cc1Cl ZINC000043488455 985238917 /nfs/dbraw/zinc/23/89/17/985238917.db2.gz NPFWFHMPFGIOJX-UHFFFAOYSA-N 0 0 237.690 2.059 10 0 BEAERN CNc1ncccc1C(=O)Nc1ncccc1C ZINC000050722224 1171834770 /nfs/dbraw/zinc/83/47/70/1171834770.db2.gz RHDVLFBWGCBENO-UHFFFAOYSA-N 0 0 242.282 2.079 10 0 BEAERN CCCCc1n[nH]nc1C(=O)OC(C)(C)C ZINC000685954294 538899134 /nfs/dbraw/zinc/89/91/34/538899134.db2.gz UXOXGKXLHXGVEC-UHFFFAOYSA-N 0 0 225.292 2.103 10 0 BEAERN Cc1cccc2c1N[C@@H](C1CCC1)[C@@H](O)C2 ZINC000685963665 538910432 /nfs/dbraw/zinc/91/04/32/538910432.db2.gz VLBUDJHRNCHKBG-JSGCOSHPSA-N 0 0 217.312 2.493 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@@H](C(C)C)N2 ZINC000685963553 538910663 /nfs/dbraw/zinc/91/06/63/538910663.db2.gz SCWSAPWLQPQXRP-CHWSQXEVSA-N 0 0 205.301 2.349 10 0 BEAERN CC(C)COCC(F)(F)CNC1CC1 ZINC000685955356 538900659 /nfs/dbraw/zinc/90/06/59/538900659.db2.gz CWMOZSRCFDFCLV-UHFFFAOYSA-N 0 0 207.264 2.046 10 0 BEAERN CNCC(F)(F)COCCCC(C)C ZINC000685956944 538900832 /nfs/dbraw/zinc/90/08/32/538900832.db2.gz MZDPYEKOMJIDKT-UHFFFAOYSA-N 0 0 209.280 2.294 10 0 BEAERN CC(C)NCC(F)(F)COC(C)(C)C ZINC000685956687 538903299 /nfs/dbraw/zinc/90/32/99/538903299.db2.gz YVPVDVMXFWUCHW-UHFFFAOYSA-N 0 0 209.280 2.435 10 0 BEAERN CCCNCC(F)(F)COCC1CC1 ZINC000685957807 538905270 /nfs/dbraw/zinc/90/52/70/538905270.db2.gz GSLCKPXTZKCWHS-UHFFFAOYSA-N 0 0 207.264 2.048 10 0 BEAERN O=C1c2ccc(F)cc2CN1C1CCC1 ZINC000685958321 538905446 /nfs/dbraw/zinc/90/54/46/538905446.db2.gz HBLVDBLEABDAKC-UHFFFAOYSA-N 0 0 205.232 2.334 10 0 BEAERN O=C1C[C@H](c2cncs2)C2(CCCCC2)N1 ZINC000685958582 538905861 /nfs/dbraw/zinc/90/58/61/538905861.db2.gz AJNQQTNUSOSPRD-SECBINFHSA-N 0 0 236.340 2.450 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@@H](C1CC1)N2 ZINC000685963547 538910543 /nfs/dbraw/zinc/91/05/43/538910543.db2.gz SBWADEUROCLPFD-CHWSQXEVSA-N 0 0 203.285 2.103 10 0 BEAERN Cc1cc(C)n(CC(=O)c2cccs2)n1 ZINC000020068864 177925100 /nfs/dbraw/zinc/92/51/00/177925100.db2.gz SUTOHLMRBJTOKW-UHFFFAOYSA-N 0 0 220.297 2.444 10 0 BEAERN C[C@@H]1C[C@@]2(CO1)CC(=O)NC21CCCCC1 ZINC000685958912 538906509 /nfs/dbraw/zinc/90/65/09/538906509.db2.gz IDCGORIZFDSFSQ-PWSUYJOCSA-N 0 0 223.316 2.004 10 0 BEAERN C[C@@]1(C(=O)[O-])CC2(C[C@@H]1[NH3+])CCCCC2 ZINC000685958689 538906543 /nfs/dbraw/zinc/90/65/43/538906543.db2.gz DPUDEQITJDPPHD-GXSJLCMTSA-N 0 0 211.305 2.149 10 0 BEAERN O=C1C[C@]2(CCSC2)C2(CCCCC2)N1 ZINC000685959537 538906856 /nfs/dbraw/zinc/90/68/56/538906856.db2.gz PEEMOGXTHMPCIR-NSHDSACASA-N 0 0 225.357 2.333 10 0 BEAERN CC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685959551 538906953 /nfs/dbraw/zinc/90/69/53/538906953.db2.gz ZOFNUUKKQYZJPC-RNCFNFMXSA-N 0 0 241.331 2.469 10 0 BEAERN CCC1(CC)[C@@H](C)C(=O)NC12CCOCC2 ZINC000685959896 538907003 /nfs/dbraw/zinc/90/70/03/538907003.db2.gz UYDPMOFFVOTOFY-JTQLQIEISA-N 0 0 225.332 2.108 10 0 BEAERN CO[C@H]1CC[C@@]12CC(=O)NC21CCCCC1 ZINC000685959992 538907183 /nfs/dbraw/zinc/90/71/83/538907183.db2.gz XDAHLWMQVLKYPA-CMPLNLGQSA-N 0 0 223.316 2.004 10 0 BEAERN CCc1ccc2c(c1)C[C@@H](O)[C@H](C(F)F)N2 ZINC000685963704 538910583 /nfs/dbraw/zinc/91/05/83/538910583.db2.gz VXONGRGMKSSOQC-GHMZBOCLSA-N 0 0 227.254 2.212 10 0 BEAERN CC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC000685960384 538907484 /nfs/dbraw/zinc/90/74/84/538907484.db2.gz IDCNBNKDJBTAOA-UHFFFAOYSA-N 0 0 227.304 2.221 10 0 BEAERN CCC(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000685960362 538907611 /nfs/dbraw/zinc/90/76/11/538907611.db2.gz GLRCVVFBFXQJMN-UHFFFAOYSA-N 0 0 227.304 2.269 10 0 BEAERN C[C@H]1C[C@H]1CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000685962677 538909521 /nfs/dbraw/zinc/90/95/21/538909521.db2.gz OUYNJWDXDQIDRF-UWVGGRQHSA-N 0 0 241.331 2.469 10 0 BEAERN CCC[C@@H]1Nc2cc(OC)ccc2C[C@@H]1O ZINC000685963036 538909615 /nfs/dbraw/zinc/90/96/15/538909615.db2.gz FHSTVKBUFZIUCS-AAEUAGOBSA-N 0 0 221.300 2.193 10 0 BEAERN CC[C@@H]1Nc2ccc(OC)cc2C[C@]1(C)O ZINC000685963293 538909633 /nfs/dbraw/zinc/90/96/33/538909633.db2.gz LIDPGLXEHGJWHE-STQMWFEESA-N 0 0 221.300 2.193 10 0 BEAERN Cc1cccc2c1N[C@@H](C(F)(F)F)[C@@H](O)C2 ZINC000685962918 538909754 /nfs/dbraw/zinc/90/97/54/538909754.db2.gz ACZBLRZTVAVUSH-WCBMZHEXSA-N 0 0 231.217 2.255 10 0 BEAERN CCc1ccc2c(c1)C[C@@H](O)[C@H](C1CC1)N2 ZINC000685963543 538910262 /nfs/dbraw/zinc/91/02/62/538910262.db2.gz RVMPTLIBOCRCKS-KGLIPLIRSA-N 0 0 217.312 2.357 10 0 BEAERN C[C@H]1CCc2[nH]nc(Br)c2C1 ZINC000685952222 538896423 /nfs/dbraw/zinc/89/64/23/538896423.db2.gz AYUMLRYYDHLMRS-YFKPBYRVSA-N 0 0 215.094 2.297 10 0 BEAERN FC1(F)CCc2[nH]nc(Br)c2C1 ZINC000685952342 538896435 /nfs/dbraw/zinc/89/64/35/538896435.db2.gz GSMWIQDBSAGUME-UHFFFAOYSA-N 0 0 237.047 2.296 10 0 BEAERN CC[C@H]1CCc2nn(C3CC3)c(N)c2C1 ZINC000685953064 538896714 /nfs/dbraw/zinc/89/67/14/538896714.db2.gz RRRRXDUCLMUIEM-QMMMGPOBSA-N 0 0 205.305 2.315 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000408084400 136210407 /nfs/dbraw/zinc/21/04/07/136210407.db2.gz PGMNMFFSJZQZRD-WOPDTQHZSA-N 0 0 242.363 2.145 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@H](C(C)C)N2 ZINC000685963816 538910733 /nfs/dbraw/zinc/91/07/33/538910733.db2.gz XIVKMORWTJCKIB-YPMHNXCESA-N 0 0 221.300 2.049 10 0 BEAERN CCc1ccc2nc(C)c(NN)cc2c1 ZINC000685963849 538910809 /nfs/dbraw/zinc/91/08/09/538910809.db2.gz YNELECDVQGCSTO-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN C=C(OCC)c1cncnc1Br ZINC000685965140 538911573 /nfs/dbraw/zinc/91/15/73/538911573.db2.gz PYSXNCLOOLIHHP-UHFFFAOYSA-N 0 0 229.077 2.246 10 0 BEAERN Nc1ccc2cn(CC3CCC3)nc2c1 ZINC000685965450 538911994 /nfs/dbraw/zinc/91/19/94/538911994.db2.gz DZDFGKMXAJQIKW-UHFFFAOYSA-N 0 0 201.273 2.419 10 0 BEAERN Cc1cccc2c1N[C@@H](CC1CC1)[C@@H](O)C2 ZINC000685963394 538912740 /nfs/dbraw/zinc/91/27/40/538912740.db2.gz NHDRQSBMRGICAS-STQMWFEESA-N 0 0 217.312 2.493 10 0 BEAERN Cc1cccc2c1N[C@H](CC1CC1)[C@@H](O)C2 ZINC000685963392 538913047 /nfs/dbraw/zinc/91/30/47/538913047.db2.gz NHDRQSBMRGICAS-OLZOCXBDSA-N 0 0 217.312 2.493 10 0 BEAERN Cc1cc(C)nc(Sc2ccc(N)cn2)n1 ZINC000051606504 177948376 /nfs/dbraw/zinc/94/83/76/177948376.db2.gz POMMIEPLHZHBHO-UHFFFAOYSA-N 0 0 232.312 2.222 10 0 BEAERN CSCCC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000129875338 136211731 /nfs/dbraw/zinc/21/17/31/136211731.db2.gz ZLQLXRSFSDYQDJ-RKDXNWHRSA-N 0 0 201.335 2.044 10 0 BEAERN CCOC(=O)C(=O)c1ccc2c(c1)C[C@@H](C)C2 ZINC000258192477 349493307 /nfs/dbraw/zinc/49/33/07/349493307.db2.gz NKCJFCYWRMWPTE-VIFPVBQESA-N 0 0 232.279 2.167 10 0 BEAERN CCC(CC)(CO)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000053069929 168328672 /nfs/dbraw/zinc/32/86/72/168328672.db2.gz XPNXMKJTRDAEFM-TUAOUCFPSA-N 0 0 239.359 2.090 10 0 BEAERN CCC(CC)(CO)NC(=O)Oc1ccccc1 ZINC000053072139 168328871 /nfs/dbraw/zinc/32/88/71/168328871.db2.gz VUINDZYZACLBCN-UHFFFAOYSA-N 0 0 237.299 2.326 10 0 BEAERN Nc1cc(Cc2ccccc2Cl)ncn1 ZINC000257768503 349483648 /nfs/dbraw/zinc/48/36/48/349483648.db2.gz OIEKCZNOPVOXIF-UHFFFAOYSA-N 0 0 219.675 2.303 10 0 BEAERN CC(C)COCc1nc(N)ccc1Cl ZINC000061640326 187322723 /nfs/dbraw/zinc/32/27/23/187322723.db2.gz RLGDQADNGQSBIJ-UHFFFAOYSA-N 0 0 214.696 2.490 10 0 BEAERN CCCC[N@@H+]1CCC[C@@H](CC(=O)[O-])CC1 ZINC000390116666 398157213 /nfs/dbraw/zinc/15/72/13/398157213.db2.gz CQZZGRQNNYFXFB-LLVKDONJSA-N 0 0 213.321 2.363 10 0 BEAERN Cc1cc(CNCc2cc(C)n(C)c2C)on1 ZINC000052790526 178025529 /nfs/dbraw/zinc/02/55/29/178025529.db2.gz IYORPRHPTLNIIP-UHFFFAOYSA-N 0 0 233.315 2.228 10 0 BEAERN CC[C@@H](O)c1ccc(N)cc1Br ZINC000307476360 398170436 /nfs/dbraw/zinc/17/04/36/398170436.db2.gz ZNHSUFSBUZUWCX-SECBINFHSA-N 0 0 230.105 2.475 10 0 BEAERN Cc1cc(CNCc2nccs2)ccc1N ZINC000049538980 178029886 /nfs/dbraw/zinc/02/98/86/178029886.db2.gz QEBZHXWINZDLTP-UHFFFAOYSA-N 0 0 233.340 2.324 10 0 BEAERN CC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1 ZINC000071973177 398171161 /nfs/dbraw/zinc/17/11/61/398171161.db2.gz WUHSVZXHYBMMIK-ZDUSSCGKSA-N 0 0 233.311 2.420 10 0 BEAERN Cc1cc(CN[C@H]2CCc3c2cccc3O)on1 ZINC000044986480 178040989 /nfs/dbraw/zinc/04/09/89/178040989.db2.gz WTHZDEIURUVLIA-ZDUSSCGKSA-N 0 0 244.294 2.466 10 0 BEAERN Cc1cc(CNc2cc(N)ccc2C)no1 ZINC000053735499 178042036 /nfs/dbraw/zinc/04/20/36/178042036.db2.gz XHHRNFPYTGMDKR-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2ccc(C)c(N)c2)no1 ZINC000061701858 178042876 /nfs/dbraw/zinc/04/28/76/178042876.db2.gz YCPNVHVWQJMXNM-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2ccc(Cl)nn2)no1 ZINC000044726194 178043131 /nfs/dbraw/zinc/04/31/31/178043131.db2.gz HDXNDEXMFGQYHO-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CO)cc(C)c1OCc1ncccn1 ZINC000054460546 178045907 /nfs/dbraw/zinc/04/59/07/178045907.db2.gz MWVSDVUPVCRBMH-UHFFFAOYSA-N 0 0 244.294 2.165 10 0 BEAERN Cc1cc(CO)c2c(c1)COC(C)(C)O2 ZINC000032105911 178046186 /nfs/dbraw/zinc/04/61/86/178046186.db2.gz LTESAUAQOMBICV-UHFFFAOYSA-N 0 0 208.257 2.132 10 0 BEAERN Cc1cc(CO)nc(Cc2ccccc2C)n1 ZINC000054830388 178046252 /nfs/dbraw/zinc/04/62/52/178046252.db2.gz NLLQDBNLEUBWNK-UHFFFAOYSA-N 0 0 228.295 2.177 10 0 BEAERN Cc1cc(CSCC(=O)NC(C)(C)C)no1 ZINC000105626324 178050739 /nfs/dbraw/zinc/05/07/39/178050739.db2.gz FDZAFEWKHAHWCU-UHFFFAOYSA-N 0 0 242.344 2.131 10 0 BEAERN CC(C)n1nccc1C(=O)c1cncs1 ZINC000300771443 398161760 /nfs/dbraw/zinc/16/17/60/398161760.db2.gz PXJFAGIJSDINDX-UHFFFAOYSA-N 0 0 221.285 2.152 10 0 BEAERN Cc1cc(Cl)c2nc(Cl)c(CO)n2c1 ZINC000082694114 178062483 /nfs/dbraw/zinc/06/24/83/178062483.db2.gz ZSDFMPHTRJHXOQ-UHFFFAOYSA-N 0 0 231.082 2.442 10 0 BEAERN Cc1cc(Cl)ccc1-c1nnc(N)o1 ZINC000075618519 178064989 /nfs/dbraw/zinc/06/49/89/178064989.db2.gz QNUIIAOGTAEFPR-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN Cc1cc(Cl)nc(-c2nsc(N)n2)c1 ZINC000067173702 178071600 /nfs/dbraw/zinc/07/16/00/178071600.db2.gz LOTMOFJTOHUXFB-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN COc1c(N)cc(C(C)(C)C)cc1CO ZINC000114404287 398186594 /nfs/dbraw/zinc/18/65/94/398186594.db2.gz MPHUUAFZIAFVCN-UHFFFAOYSA-N 0 0 209.289 2.067 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)NC1(C)CCCCC1 ZINC000129010109 398190090 /nfs/dbraw/zinc/19/00/90/398190090.db2.gz MJADKVRKJXKAJA-GHMZBOCLSA-N 0 0 240.347 2.186 10 0 BEAERN Cc1cc(F)ccc1NCC(=O)N(C)C(C)C ZINC000059167836 178090168 /nfs/dbraw/zinc/09/01/68/178090168.db2.gz GYZYVJAAAQVBCZ-UHFFFAOYSA-N 0 0 238.306 2.413 10 0 BEAERN Cc1cc(F)ccc1N[C@@H](C)C(=O)N(C)C ZINC000058181712 178091568 /nfs/dbraw/zinc/09/15/68/178091568.db2.gz VJYMOGMHHBRZAV-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN CCN(CC)c1ncc(Br)cc1N ZINC000040713494 398192988 /nfs/dbraw/zinc/19/29/88/398192988.db2.gz IOSLOQHKQUBKNT-UHFFFAOYSA-N 0 0 244.136 2.273 10 0 BEAERN Cc1cc(N(C)C2CC2)nc(-c2ccncc2)n1 ZINC000112074068 178096089 /nfs/dbraw/zinc/09/60/89/178096089.db2.gz ZRTZWIKUWVEEOM-UHFFFAOYSA-N 0 0 240.310 2.446 10 0 BEAERN Cc1cc(N(C)C)nc(SC(C)C)n1 ZINC000000550009 178097212 /nfs/dbraw/zinc/09/72/12/178097212.db2.gz SVGPWEJFRMEERM-UHFFFAOYSA-N 0 0 211.334 2.352 10 0 BEAERN CC[C@@H](C)C[C@@H](ON)C(=O)OC(C)(C)C ZINC000536960677 398199946 /nfs/dbraw/zinc/19/99/46/398199946.db2.gz RLKCORLXGHJCPE-RKDXNWHRSA-N 0 0 217.309 2.023 10 0 BEAERN CCC[C@H](CN[C@@H](C)c1ncc(C)o1)OC ZINC000386014328 398195407 /nfs/dbraw/zinc/19/54/07/398195407.db2.gz NGVJGWDMUHWCIV-WDEREUQCSA-N 0 0 226.320 2.449 10 0 BEAERN Cc1cc(N)c2c(c1)C(=O)CC(C)(C)O2 ZINC000036142594 178103522 /nfs/dbraw/zinc/10/35/22/178103522.db2.gz KLKCZYALIKUXJG-UHFFFAOYSA-N 0 0 205.257 2.321 10 0 BEAERN Cc1cc2[nH]nc(Br)c2c(N)c1 ZINC000014983786 178104083 /nfs/dbraw/zinc/10/40/83/178104083.db2.gz VTYCNMIDTGUSPG-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN Cc1cc(N2CCCO[C@H](C)C2)ccc1N ZINC000061916780 178115255 /nfs/dbraw/zinc/11/52/55/178115255.db2.gz CIDISQXPLKEISX-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1C(=O)OC1CCC1 ZINC000050929214 178105414 /nfs/dbraw/zinc/10/54/14/178105414.db2.gz ATHJZZPSEYNJOT-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN Cc1cc(N)ccc1N1CCCO[C@H](C)C1 ZINC000061916760 178105961 /nfs/dbraw/zinc/10/59/61/178105961.db2.gz FNNMGZUGFZCQPM-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1C(=O)N[C@H](C)C1CC1 ZINC000044748363 178105975 /nfs/dbraw/zinc/10/59/75/178105975.db2.gz CBIAIVJNTZGSQA-SECBINFHSA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cc(N)ccc1C(=O)N[C@@H](C)C(C)C ZINC000044748279 178106026 /nfs/dbraw/zinc/10/60/26/178106026.db2.gz WFGTWQYMRSMAFW-JTQLQIEISA-N 0 0 220.316 2.352 10 0 BEAERN Cc1cc(N)ccc1SC[C@H]1CCOCO1 ZINC000037193404 178106870 /nfs/dbraw/zinc/10/68/70/178106870.db2.gz UEHOTSTWAOVRHN-LLVKDONJSA-N 0 0 239.340 2.432 10 0 BEAERN FC1(F)CC[C@]2(c3ccccn3)O[C@@H]2C1 ZINC000536960668 398200208 /nfs/dbraw/zinc/20/02/08/398200208.db2.gz SIATWDHWWUBBSI-MWLCHTKSSA-N 0 0 211.211 2.495 10 0 BEAERN [NH3+]C[C@H](c1ccccc1F)C1(C(=O)[O-])CCC1 ZINC000536954180 398198022 /nfs/dbraw/zinc/19/80/22/398198022.db2.gz PFAVFHQEXSAQNA-SNVBAGLBSA-N 0 0 237.274 2.123 10 0 BEAERN NC(=O)N1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616612294 349516726 /nfs/dbraw/zinc/51/67/26/349516726.db2.gz QDNVJXGJZAJLAF-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN Cc1cc(N)nnc1-c1ccc(F)cc1 ZINC000054930962 178111403 /nfs/dbraw/zinc/11/14/03/178111403.db2.gz OLZVTACOJGAHJF-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nccn(CC(C)C)c1=O ZINC000091729582 398202659 /nfs/dbraw/zinc/20/26/59/398202659.db2.gz CWQPDBJOGXWYRO-VXGBXAGGSA-N 0 0 249.358 2.500 10 0 BEAERN CC1(C)SC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000393825029 343982868 /nfs/dbraw/zinc/98/28/68/343982868.db2.gz YVAHCFCXAGVTKO-JXUBOQSCSA-N 0 0 225.357 2.043 10 0 BEAERN COC(=O)N1CCC(c2cccc(CO)c2)CC1 ZINC000616621959 398206633 /nfs/dbraw/zinc/20/66/33/398206633.db2.gz ZQCMYJKMUCJAAZ-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cccnc1N ZINC000616622118 398207219 /nfs/dbraw/zinc/20/72/19/398207219.db2.gz KXWOKXHSRKJBHR-LLVKDONJSA-N 0 0 249.314 2.347 10 0 BEAERN Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)ccn1 ZINC000119558347 178140093 /nfs/dbraw/zinc/14/00/93/178140093.db2.gz PJKITKHNVULNRG-JQWIXIFHSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)sn1 ZINC000190324004 178147890 /nfs/dbraw/zinc/14/78/90/178147890.db2.gz JXBNWGDKTZOOJZ-IUCAKERBSA-N 0 0 240.328 2.205 10 0 BEAERN Cc1cc(NC(=O)c2c(C)cccc2N)no1 ZINC000022211389 178148461 /nfs/dbraw/zinc/14/84/61/178148461.db2.gz YUIIPHSWRRYMHA-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC[C@]2(C)CCCO2)nnc1C ZINC000302788722 178170149 /nfs/dbraw/zinc/17/01/49/178170149.db2.gz COGBQUIVRVKWNS-LBPRGKRZSA-N 0 0 221.304 2.074 10 0 BEAERN COC1CC(Nc2ncc(Cl)s2)C1 ZINC000306605429 398221543 /nfs/dbraw/zinc/22/15/43/398221543.db2.gz PSKSACRIDPXETC-UHFFFAOYSA-N 0 0 218.709 2.386 10 0 BEAERN Cc1cc(NCc2ncc[nH]2)cnc1Cl ZINC000083352319 178176195 /nfs/dbraw/zinc/17/61/95/178176195.db2.gz UZEOGNDYBOOXBI-UHFFFAOYSA-N 0 0 222.679 2.379 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(-n2cnnn2)cc1 ZINC000020094388 538930572 /nfs/dbraw/zinc/93/05/72/538930572.db2.gz HATBCSIOJPYICH-JTQLQIEISA-N 0 0 231.303 2.119 10 0 BEAERN Cc1cc(N[C@@H](C)Cn2cccn2)ccc1N ZINC000042539146 178178641 /nfs/dbraw/zinc/17/86/41/178178641.db2.gz JWNNRLLREIJBSA-NSHDSACASA-N 0 0 230.315 2.274 10 0 BEAERN OC1(CNc2ncnc3c2CCCCC3)CCC1 ZINC000122459514 136222259 /nfs/dbraw/zinc/22/22/59/136222259.db2.gz NHNIYQHKVGRMCW-UHFFFAOYSA-N 0 0 247.342 2.072 10 0 BEAERN CCSc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cn1 ZINC000075693135 398226220 /nfs/dbraw/zinc/22/62/20/398226220.db2.gz AFJIVFAWDLSVCP-WCBMZHEXSA-N 0 0 236.340 2.332 10 0 BEAERN COc1ccc(-c2cccc(CO)n2)cc1 ZINC000039927811 361741671 /nfs/dbraw/zinc/74/16/71/361741671.db2.gz QMQQAQQZNZLBEY-UHFFFAOYSA-N 0 0 215.252 2.250 10 0 BEAERN Cc1csc([C@H](C)N2CCC(=O)CC2)n1 ZINC000070733817 361745724 /nfs/dbraw/zinc/74/57/24/361745724.db2.gz WMQBOIPAQUMNJX-VIFPVBQESA-N 0 0 224.329 2.177 10 0 BEAERN Cc1cc(O)ccc1[C@@H](N)C(F)(F)F ZINC000072194644 178201293 /nfs/dbraw/zinc/20/12/93/178201293.db2.gz NPSRABAAMIFYLX-MRVPVSSYSA-N 0 0 205.179 2.263 10 0 BEAERN Cc1cc(Oc2ccc(N)c(F)c2)ncn1 ZINC000043473224 178214601 /nfs/dbraw/zinc/21/46/01/178214601.db2.gz JFRUQBKYAPLNRG-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1cc(OCC(=O)NC2CCCC2)ccc1N ZINC000019816836 178208833 /nfs/dbraw/zinc/20/88/33/178208833.db2.gz RBDUVSWLZCIHJH-UHFFFAOYSA-N 0 0 248.326 2.015 10 0 BEAERN Cc1cc(Oc2ccccc2C=O)ncn1 ZINC000011849404 178215699 /nfs/dbraw/zinc/21/56/99/178215699.db2.gz DITVOPPZWSWPGJ-UHFFFAOYSA-N 0 0 214.224 2.390 10 0 BEAERN Cc1cc(Oc2ccccc2N)ncn1 ZINC000040727466 178215900 /nfs/dbraw/zinc/21/59/00/178215900.db2.gz GDDUYPUTFFZSRC-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CC[C@@H](C)CC1N=NC(=S)N1C1CC1 ZINC000164428442 538933270 /nfs/dbraw/zinc/93/32/70/538933270.db2.gz DJIUPSXTDJMFFX-SSDOTTSWSA-N 0 0 211.334 2.490 10 0 BEAERN Cc1cc([C@@H]([NH2+]C2CC2)C(=O)[O-])ccc1F ZINC000050559022 178237386 /nfs/dbraw/zinc/23/73/86/178237386.db2.gz SMRZUANXIYXYMV-LLVKDONJSA-N 0 0 223.247 2.012 10 0 BEAERN Cc1cc([C@@H]2CC[C@H](C(=O)[O-])[NH2+]2)ccc1F ZINC000083041370 178240801 /nfs/dbraw/zinc/24/08/01/178240801.db2.gz JLZSWSGNKFRYFD-WDEREUQCSA-N 0 0 223.247 2.012 10 0 BEAERN Cc1cc([C@H](C)NN2CCOCC2)c(C)s1 ZINC000083251460 178252008 /nfs/dbraw/zinc/25/20/08/178252008.db2.gz CVODPISYHXNEFD-JTQLQIEISA-N 0 0 240.372 2.263 10 0 BEAERN Cc1ccsc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000076363176 398237129 /nfs/dbraw/zinc/23/71/29/398237129.db2.gz YKMPCJKSADEHOC-AOOOYVTPSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1cc2[nH]nc(Cl)c(=O)c2cc1C ZINC000039123928 178276105 /nfs/dbraw/zinc/27/61/05/178276105.db2.gz BLUXEVDLZQDMLU-UHFFFAOYSA-N 0 0 208.648 2.193 10 0 BEAERN Cc1cc2[nH]cc(C(N)=O)c2cc1Cl ZINC000299889950 178276600 /nfs/dbraw/zinc/27/66/00/178276600.db2.gz RLBIKVCDTLVORJ-UHFFFAOYSA-N 0 0 208.648 2.229 10 0 BEAERN Cc1cc2c(cc1Cl)NC[C@H](CO)C2 ZINC000011985030 178289226 /nfs/dbraw/zinc/28/92/26/178289226.db2.gz TXSFPSJDJIDEOK-MRVPVSSYSA-N 0 0 211.692 2.225 10 0 BEAERN Cc1cc2ccccc2nc1[C@@H]1N=CCN1 ZINC000039109158 178298746 /nfs/dbraw/zinc/29/87/46/178298746.db2.gz XMDLCVBDVIODEM-CYBMUJFWSA-N 0 0 211.268 2.216 10 0 BEAERN Cc1cc2ccccc2nc1[C@H]1N=CCN1 ZINC000039109156 178298783 /nfs/dbraw/zinc/29/87/83/178298783.db2.gz XMDLCVBDVIODEM-ZDUSSCGKSA-N 0 0 211.268 2.216 10 0 BEAERN Cc1cc2nc3c(cn2n1)C(=O)CC(C)(C)C3 ZINC000072464028 178303557 /nfs/dbraw/zinc/30/35/57/178303557.db2.gz SEZXFFVXTXVWTL-UHFFFAOYSA-N 0 0 229.283 2.193 10 0 BEAERN Cc1cc2ncc3c(n2n1)CCCCC3 ZINC000072451602 178303850 /nfs/dbraw/zinc/30/38/50/178303850.db2.gz AGBLMEPHLGVDRU-UHFFFAOYSA-N 0 0 201.273 2.307 10 0 BEAERN Cc1cc2ncc3c(n2n1)CC(C)(C)CC3=O ZINC000072397722 178304258 /nfs/dbraw/zinc/30/42/58/178304258.db2.gz BDFRGAURHNLYSE-UHFFFAOYSA-N 0 0 229.283 2.193 10 0 BEAERN Cc1cc[nH]c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000280526024 178310303 /nfs/dbraw/zinc/31/03/03/178310303.db2.gz GGMQRRUMECPUIT-NWDGAFQWSA-N 0 0 248.326 2.107 10 0 BEAERN Cc1ccc(-c2cc3c(=O)[nH]ncn3n2)cc1C ZINC000057351835 178321560 /nfs/dbraw/zinc/32/15/60/178321560.db2.gz DSYQIIHOSLGPPR-UHFFFAOYSA-N 0 0 240.266 2.114 10 0 BEAERN Cc1c(-c2ccc(C)cc2)nc2n1CCNC2 ZINC000062605580 178338336 /nfs/dbraw/zinc/33/83/36/178338336.db2.gz NZEHHKMCFJFKCH-UHFFFAOYSA-N 0 0 227.311 2.270 10 0 BEAERN Cc1ccc(-c2noc(-c3c[nH]nc3N)n2)cc1 ZINC000035056333 178342406 /nfs/dbraw/zinc/34/24/06/178342406.db2.gz PUGUEWHEGAEFIZ-UHFFFAOYSA-N 0 0 241.254 2.017 10 0 BEAERN Cc1ccc(-c2nncn2C(C)C)cc1N ZINC000054498222 178342861 /nfs/dbraw/zinc/34/28/61/178342861.db2.gz WYDYZFDSIGSWLJ-UHFFFAOYSA-N 0 0 216.288 2.417 10 0 BEAERN Cc1ccc(-c2nnc3n2CCCN3)cc1 ZINC000040176392 178342908 /nfs/dbraw/zinc/34/29/08/178342908.db2.gz GALNQXIGVLCXIN-UHFFFAOYSA-N 0 0 214.272 2.069 10 0 BEAERN CCOc1cc(N[C@H]2C[C@H]2C)nc(C)n1 ZINC000085485533 488177094 /nfs/dbraw/zinc/17/70/94/488177094.db2.gz NYKWNJUTEIKLQG-APPZFPTMSA-N 0 0 207.277 2.004 10 0 BEAERN CCC(CC)N(C)c1nccc(OC)n1 ZINC000301554021 168369131 /nfs/dbraw/zinc/36/91/31/168369131.db2.gz GWKOFYIAUQHDSP-UHFFFAOYSA-N 0 0 209.293 2.110 10 0 BEAERN Cc1nn(-c2ccc(C)cc2)c(N)c1C ZINC000045628360 178348622 /nfs/dbraw/zinc/34/86/22/178348622.db2.gz YYBJSNVIKBMLGG-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1c(CO)cnn1-c1ccc(C)cc1C ZINC000082660599 178349340 /nfs/dbraw/zinc/34/93/40/178349340.db2.gz DXRMQFRXTYUJIR-UHFFFAOYSA-N 0 0 216.284 2.290 10 0 BEAERN Cc1ccc(-c2csc(N)n2)c(C)n1 ZINC000082480653 178329972 /nfs/dbraw/zinc/32/99/72/178329972.db2.gz XZULRAJKLCUFEA-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1ccc(C(=O)N(C)c2ccccn2)c(O)c1 ZINC000019839095 178381235 /nfs/dbraw/zinc/38/12/35/178381235.db2.gz WUAPIXQUDPLLSX-UHFFFAOYSA-N 0 0 242.278 2.372 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)cc1C ZINC000296169610 178388519 /nfs/dbraw/zinc/38/85/19/178388519.db2.gz TUJLJUCDEZABEA-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN CCC(CC)[N@H+](CCOC)[C@@H](CC)CC(=O)[O-] ZINC000062755688 168373701 /nfs/dbraw/zinc/37/37/01/168373701.db2.gz ZFDHDBSKVWMQNS-LBPRGKRZSA-N 0 0 245.363 2.377 10 0 BEAERN CCC(CC)[N@H+](CCOC)[C@@H](C(=O)[O-])C(C)C ZINC000042680288 168374011 /nfs/dbraw/zinc/37/40/11/168374011.db2.gz VUADBDGOSKWOGE-GFCCVEGCSA-N 0 0 245.363 2.233 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)s1 ZINC000295981385 178388666 /nfs/dbraw/zinc/38/86/66/178388666.db2.gz IRVCCIXUXHQJEH-VHSXEESVSA-N 0 0 239.340 2.042 10 0 BEAERN Cc1ccc(C(=O)CN2CCCO[C@@H](C)C2)cc1 ZINC000061919743 178373635 /nfs/dbraw/zinc/37/36/35/178373635.db2.gz WKJKJGSBLHTBKN-ZDUSSCGKSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C)s1 ZINC000295981387 178390920 /nfs/dbraw/zinc/39/09/20/178390920.db2.gz IRVCCIXUXHQJEH-ZJUUUORDSA-N 0 0 239.340 2.042 10 0 BEAERN CC(C)Cc1ccc([C@H](C)S(N)(=O)=O)cc1 ZINC000034147170 538953237 /nfs/dbraw/zinc/95/32/37/538953237.db2.gz OPKBMCKLFOLVSJ-JTQLQIEISA-N 0 0 241.356 2.235 10 0 BEAERN COC(=O)c1cc(C2CCCC2)nc(C)n1 ZINC000259595929 349581741 /nfs/dbraw/zinc/58/17/41/349581741.db2.gz DXMUXNSKPOSNCM-UHFFFAOYSA-N 0 0 220.272 2.229 10 0 BEAERN Cc1cc([C@@H](C)Oc2ncccc2N)on1 ZINC000259734792 349586802 /nfs/dbraw/zinc/58/68/02/349586802.db2.gz YEFKJUYNSGRUCK-MRVPVSSYSA-N 0 0 219.244 2.100 10 0 BEAERN CC(C)(C)C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000082256979 398272336 /nfs/dbraw/zinc/27/23/36/398272336.db2.gz PZKSZMUZUZTMKH-LBPRGKRZSA-N 0 0 246.354 2.428 10 0 BEAERN CC(C)CC(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000082256922 398272342 /nfs/dbraw/zinc/27/23/42/398272342.db2.gz OAHBLWAWCVUMHM-CYBMUJFWSA-N 0 0 246.354 2.428 10 0 BEAERN CCC1CCC(NC(=O)Cc2ccn(C)n2)CC1 ZINC000180938091 538959541 /nfs/dbraw/zinc/95/95/41/538959541.db2.gz OAGJQHSGUKYQPK-UHFFFAOYSA-N 0 0 249.358 2.048 10 0 BEAERN CCN(CC(=O)C1CC1)C(=O)OC(C)(C)C ZINC000405485105 538959984 /nfs/dbraw/zinc/95/99/84/538959984.db2.gz DGUOAPQDBUSQNG-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN COC(=O)c1ccc(C)nc1OCC(F)(F)F ZINC000223117256 398274560 /nfs/dbraw/zinc/27/45/60/398274560.db2.gz NHZCWYIQNWOFNC-UHFFFAOYSA-N 0 0 249.188 2.118 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc[nH]1 ZINC000405578077 538960439 /nfs/dbraw/zinc/96/04/39/538960439.db2.gz MPICKOHECLBGTR-QMMMGPOBSA-N 0 0 238.287 2.111 10 0 BEAERN CC(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000405546102 538960456 /nfs/dbraw/zinc/96/04/56/538960456.db2.gz OYFSXGKIQVXDBW-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000405552114 538960517 /nfs/dbraw/zinc/96/05/17/538960517.db2.gz CHFNHYNGEOFMJN-SECBINFHSA-N 0 0 241.331 2.469 10 0 BEAERN CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405616001 538960579 /nfs/dbraw/zinc/96/05/79/538960579.db2.gz VTDYYONDTGYADX-PSASIEDQSA-N 0 0 227.304 2.221 10 0 BEAERN CCC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000405677213 538960878 /nfs/dbraw/zinc/96/08/78/538960878.db2.gz JWYQYSUGKZMYLU-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN O=C(NCC1CC1)c1ccc2c(c1)CCCN2 ZINC000036895685 538961190 /nfs/dbraw/zinc/96/11/90/538961190.db2.gz AQWYCWFPIVQVIA-UHFFFAOYSA-N 0 0 230.311 2.185 10 0 BEAERN CC[C@H](C)[C@H](C)n1c(N)n[nH]c1=S ZINC000070882738 361850645 /nfs/dbraw/zinc/85/06/45/361850645.db2.gz MDJKUTWQDJHETJ-WDSKDSINSA-N 0 0 200.311 2.130 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CSC1(C)C ZINC000306650780 361852762 /nfs/dbraw/zinc/85/27/62/361852762.db2.gz HQBOZIMRTDKTRY-ZCFIWIBFSA-N 0 0 217.725 2.306 10 0 BEAERN CCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406088277 538963427 /nfs/dbraw/zinc/96/34/27/538963427.db2.gz DOCULUXOOYLYGT-SNVBAGLBSA-N 0 0 235.283 2.280 10 0 BEAERN Nc1nnc(-c2coc(Br)c2)s1 ZINC000306651523 361856800 /nfs/dbraw/zinc/85/68/00/361856800.db2.gz GBBAUVSGUVISNO-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1N ZINC000215952381 342714952 /nfs/dbraw/zinc/71/49/52/342714952.db2.gz ZJQURBXQUFOOHL-UHFFFAOYSA-N 0 0 245.257 2.242 10 0 BEAERN COc1ccc(-c2c(C)ncc(=O)n2C)c(C)c1 ZINC000144556376 342746740 /nfs/dbraw/zinc/74/67/40/342746740.db2.gz DXUJNOZCBGAXHU-UHFFFAOYSA-N 0 0 244.294 2.073 10 0 BEAERN OCc1cnc(C(F)(F)F)c(Cl)c1 ZINC000306657222 361867748 /nfs/dbraw/zinc/86/77/48/361867748.db2.gz MLKJKBVHIRPWAU-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN CC(=O)c1cn(Cc2ccccc2)nc1C ZINC000004998498 398279952 /nfs/dbraw/zinc/27/99/52/398279952.db2.gz PFJSWWMBGXHNDV-UHFFFAOYSA-N 0 0 214.268 2.442 10 0 BEAERN CN(C)c1ccc(-c2noc3c2CCN3)cc1 ZINC000003704100 342736569 /nfs/dbraw/zinc/73/65/69/342736569.db2.gz PYKAGPXDYIKQHM-UHFFFAOYSA-N 0 0 229.283 2.376 10 0 BEAERN CCc1n[nH]c(=O)c2cc3sc(C)cc3n21 ZINC000004955300 342754959 /nfs/dbraw/zinc/75/49/59/342754959.db2.gz CNDXYNGYPDEVRV-UHFFFAOYSA-N 0 0 233.296 2.108 10 0 BEAERN C[C@@H](c1cccnc1)n1cccc1C=O ZINC000035692776 342755640 /nfs/dbraw/zinc/75/56/40/342755640.db2.gz JELSOKOAFNYEMD-JTQLQIEISA-N 0 0 200.241 2.305 10 0 BEAERN C[C@@H](Nc1ncccc1N)c1ccccn1 ZINC000035694706 342756340 /nfs/dbraw/zinc/75/63/40/342756340.db2.gz LMVOMADMFFGFBR-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN COc1ccc(C(=O)[C@@H](O)c2ccncc2)cc1 ZINC000145243231 342760707 /nfs/dbraw/zinc/76/07/07/342760707.db2.gz ODEZCCSLRNDOFT-AWEZNQCLSA-N 0 0 243.262 2.007 10 0 BEAERN CCOC(=O)[C@@]1(F)CCCCCCC1=O ZINC000145537711 342760884 /nfs/dbraw/zinc/76/08/84/342760884.db2.gz UYMCHAKTOBUMRZ-LLVKDONJSA-N 0 0 216.252 2.181 10 0 BEAERN CCOC(=O)[C@]1(F)CCCCCCC1=O ZINC000145537912 342760909 /nfs/dbraw/zinc/76/09/09/342760909.db2.gz UYMCHAKTOBUMRZ-NSHDSACASA-N 0 0 216.252 2.181 10 0 BEAERN CCOC(=O)[C@@H](OCC)c1ccc(O)cc1 ZINC000146325304 342767852 /nfs/dbraw/zinc/76/78/52/342767852.db2.gz GQDFDWIWTNANLY-NSHDSACASA-N 0 0 224.256 2.033 10 0 BEAERN COC(=O)[C@H](CO)c1ccc(Cl)cc1Cl ZINC000146607307 342770035 /nfs/dbraw/zinc/77/00/35/342770035.db2.gz QSCNXQPZHPGLNW-MRVPVSSYSA-N 0 0 249.093 2.242 10 0 BEAERN OCc1ccc(CCO[C@@H]2CCCCO2)cc1 ZINC000146509237 342770736 /nfs/dbraw/zinc/77/07/36/342770736.db2.gz AZXGGSINADBUCO-CQSZACIVSA-N 0 0 236.311 2.265 10 0 BEAERN CCC(CC)NC(=O)c1[nH]nc2ccc(N)cc21 ZINC000048277436 168387633 /nfs/dbraw/zinc/38/76/33/168387633.db2.gz KIUUNRTUTVHGDC-UHFFFAOYSA-N 0 0 246.314 2.064 10 0 BEAERN Cc1cc(-c2ccc(C=O)cn2)cnc1F ZINC000146965757 342773222 /nfs/dbraw/zinc/77/32/22/342773222.db2.gz KCPVEFWKDCBHMU-UHFFFAOYSA-N 0 0 216.215 2.404 10 0 BEAERN Brc1cccc(-c2cnco2)n1 ZINC000118354624 342773777 /nfs/dbraw/zinc/77/37/77/342773777.db2.gz GVNAHUBXNVWIGK-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN O=C(OCc1nnc(-c2ccccc2)o1)C1CC1 ZINC000006945221 342786557 /nfs/dbraw/zinc/78/65/57/342786557.db2.gz MELDWFUPIPNXFH-UHFFFAOYSA-N 0 0 244.250 2.190 10 0 BEAERN Cc1nc(NC(C)C)c2cccc(N)c2n1 ZINC000149229274 342793432 /nfs/dbraw/zinc/79/34/32/342793432.db2.gz LXJHDRJKVYLJJH-UHFFFAOYSA-N 0 0 216.288 2.341 10 0 BEAERN CC(C)(C[C@@H]1CC(=O)N1)c1ccccc1 ZINC000149289654 342793679 /nfs/dbraw/zinc/79/36/79/342793679.db2.gz MCBOPECPZSDPFX-NSHDSACASA-N 0 0 203.285 2.243 10 0 BEAERN CC(=O)CCCNC(=O)OCc1ccccc1 ZINC000149559011 342794257 /nfs/dbraw/zinc/79/42/57/342794257.db2.gz YBEWNEPLWBJWDV-UHFFFAOYSA-N 0 0 235.283 2.282 10 0 BEAERN CC[C@H](NN)[C@H]1CSc2ccccc21 ZINC000126878066 342797347 /nfs/dbraw/zinc/79/73/47/342797347.db2.gz ZFVIURXTQXDKLX-UWVGGRQHSA-N 0 0 208.330 2.118 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000188430660 538978577 /nfs/dbraw/zinc/97/85/77/538978577.db2.gz QHLCCQYWTRZUIK-WDEREUQCSA-N 0 0 225.332 2.060 10 0 BEAERN C=Cc1ccc(C(=O)COC(C)=O)cc1 ZINC000394662267 342812847 /nfs/dbraw/zinc/81/28/47/342812847.db2.gz FNXVMNLRSUITKS-UHFFFAOYSA-N 0 0 204.225 2.075 10 0 BEAERN C[C@H]1CC[C@H](c2nc(-c3cccnc3)no2)O1 ZINC000350453417 342814356 /nfs/dbraw/zinc/81/43/56/342814356.db2.gz IZUUKPADLLJDGM-WCBMZHEXSA-N 0 0 231.255 2.372 10 0 BEAERN Oc1cccc(SCc2ncno2)c1 ZINC000127034223 342815725 /nfs/dbraw/zinc/81/57/25/342815725.db2.gz UCAAYVNZYWTOHB-UHFFFAOYSA-N 0 0 208.242 2.068 10 0 BEAERN COC(=O)C(=O)c1c(Cl)[nH]c2ccccc21 ZINC000035976353 342818307 /nfs/dbraw/zinc/81/83/07/342818307.db2.gz STVKEMUOGRMMAK-UHFFFAOYSA-N 0 0 237.642 2.177 10 0 BEAERN CCC(CC)Nc1cc2c(cc1N)OCC(=O)N2 ZINC000035452781 168393550 /nfs/dbraw/zinc/39/35/50/168393550.db2.gz MIOUTCYTFKBECK-UHFFFAOYSA-N 0 0 249.314 2.200 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2ccncc2)C1 ZINC000616613189 349622359 /nfs/dbraw/zinc/62/23/59/349622359.db2.gz PPDUEZBMPIKHJI-LLVKDONJSA-N 0 0 220.272 2.027 10 0 BEAERN C[C@@H]1Oc2cc(F)c(Cl)cc2[C@@H]1O ZINC000134396525 342822090 /nfs/dbraw/zinc/82/20/90/342822090.db2.gz YXWKEVMNAUHHJN-AJAUBTJJSA-N 0 0 202.612 2.293 10 0 BEAERN CCC1(NC(=O)[C@H]2CCCO[C@H]2C)CCC1 ZINC000188771838 538979825 /nfs/dbraw/zinc/97/98/25/538979825.db2.gz HENSIEAZDFHRIA-QWRGUYRKSA-N 0 0 225.332 2.250 10 0 BEAERN CCOc1ccccc1-n1cnnc1Cl ZINC000071052869 361936790 /nfs/dbraw/zinc/93/67/90/361936790.db2.gz TWBMXUPHOPANNP-UHFFFAOYSA-N 0 0 223.663 2.319 10 0 BEAERN CCc1nnc(Cl)n1[C@H]1CCC[C@H]1OC ZINC000071055046 361938910 /nfs/dbraw/zinc/93/89/10/361938910.db2.gz OATQPDAVNKLACM-JGVFFNPUSA-N 0 0 229.711 2.234 10 0 BEAERN CCCc1nnc(Cl)n1[C@H]1CCCOC1 ZINC000071055723 361939438 /nfs/dbraw/zinc/93/94/38/361939438.db2.gz BAMHNBQHMSXRLE-QMMMGPOBSA-N 0 0 229.711 2.236 10 0 BEAERN Cc1oncc1-c1nnc(Cl)s1 ZINC000071050404 361940596 /nfs/dbraw/zinc/94/05/96/361940596.db2.gz CDFMRWBUAUSSPG-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CC[C@](C)(CCO)Nc1cc(C)nc(C)n1 ZINC000189505685 538983375 /nfs/dbraw/zinc/98/33/75/538983375.db2.gz MOYXBLURMYELDL-GFCCVEGCSA-N 0 0 223.320 2.056 10 0 BEAERN Clc1nnc([C@@H]2CCCOC2)s1 ZINC000071051041 361941150 /nfs/dbraw/zinc/94/11/50/361941150.db2.gz LYKKSBGDZGOOGO-RXMQYKEDSA-N 0 0 204.682 2.086 10 0 BEAERN CCC(C)(C)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191731012 538993537 /nfs/dbraw/zinc/99/35/37/538993537.db2.gz REGYCESCZJQWPS-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN CCCO[C@@H]1[C@@H](O)C[C@@H]1OCc1ccccc1 ZINC000233239095 342838364 /nfs/dbraw/zinc/83/83/64/342838364.db2.gz JIDAVNADRFAJNP-MELADBBJSA-N 0 0 236.311 2.132 10 0 BEAERN CC1(C)CC[C@H](S(N)(=O)=O)c2ccccc21 ZINC000050349942 539010810 /nfs/dbraw/zinc/01/08/10/539010810.db2.gz KVHWCSDITBINMY-NSHDSACASA-N 0 0 239.340 2.088 10 0 BEAERN CN(c1ccc(C=O)o1)[C@H]1CCSC1 ZINC000050544140 539010886 /nfs/dbraw/zinc/01/08/86/539010886.db2.gz IGBBHWPLDAQSDC-QMMMGPOBSA-N 0 0 211.286 2.034 10 0 BEAERN CCOC(=O)C(C)(C)[C@H](O)c1ccc(F)cc1 ZINC000052257048 539011971 /nfs/dbraw/zinc/01/19/71/539011971.db2.gz CYUBCYQMVMAQSW-LLVKDONJSA-N 0 0 240.274 2.448 10 0 BEAERN CCOC(=O)c1ccc(F)c(F)c1[N+](=O)[O-] ZINC000382704261 361978265 /nfs/dbraw/zinc/97/82/65/361978265.db2.gz RAXUFSLLAVFUTF-UHFFFAOYSA-N 0 0 231.154 2.050 10 0 BEAERN Cc1ccoc1[C@H]1NCCc2occc21 ZINC000709938876 539027712 /nfs/dbraw/zinc/02/77/12/539027712.db2.gz OYYILTFWULOWCS-NSHDSACASA-N 0 0 203.241 2.416 10 0 BEAERN Nc1nn(Cc2ccsc2)cc1Cl ZINC000069759668 342839480 /nfs/dbraw/zinc/83/94/80/342839480.db2.gz HYMGNYITONITHY-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CCc1csc(-n2cc(Cl)c(N)n2)n1 ZINC000069759858 342839583 /nfs/dbraw/zinc/83/95/83/342839583.db2.gz PGROKJWGHFLILU-UHFFFAOYSA-N 0 0 228.708 2.127 10 0 BEAERN CC[C@@H](O)c1ncc(Cl)nc1Cl ZINC000164790607 342839767 /nfs/dbraw/zinc/83/97/67/342839767.db2.gz BRMKTQRFDIVNNN-SCSAIBSYSA-N 0 0 207.060 2.227 10 0 BEAERN Cc1nc(N[C@@H]2CCC[C@H](O)C2)sc1C ZINC000389891117 539018210 /nfs/dbraw/zinc/01/82/10/539018210.db2.gz VZQQQMFXZHRKOT-ZJUUUORDSA-N 0 0 226.345 2.475 10 0 BEAERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000211057344 539019756 /nfs/dbraw/zinc/01/97/56/539019756.db2.gz VLLMYLUGKCRRRG-SECBINFHSA-N 0 0 227.304 2.269 10 0 BEAERN O=Cc1cnc2cc(C(F)(F)F)ccc2c1O ZINC000034511289 346868230 /nfs/dbraw/zinc/86/82/30/346868230.db2.gz QILZHHOBBPPAJX-UHFFFAOYSA-N 0 0 241.168 2.359 10 0 BEAERN COC(=O)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC000144122535 362003060 /nfs/dbraw/zinc/00/30/60/362003060.db2.gz XCCXFTVEJNQJRY-UHFFFAOYSA-N 0 0 248.200 2.430 10 0 BEAERN FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000090557580 398301722 /nfs/dbraw/zinc/30/17/22/398301722.db2.gz DEYSRYSDNZTANC-NSHDSACASA-N 0 0 244.260 2.023 10 0 BEAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)O ZINC000012318418 342849005 /nfs/dbraw/zinc/84/90/05/342849005.db2.gz UJNOLBSYLSYIBM-USZNOCQGSA-N 0 0 228.332 2.371 10 0 BEAERN CC1(Nc2ccnc(Cl)n2)CCOCC1 ZINC000229916753 342853976 /nfs/dbraw/zinc/85/39/76/342853976.db2.gz ZMTLMEFHUBPEDZ-UHFFFAOYSA-N 0 0 227.695 2.111 10 0 BEAERN C[C@H]1OCC[C@@]1(O)c1occc1Br ZINC000134437025 342854215 /nfs/dbraw/zinc/85/42/15/342854215.db2.gz HVAKEBGVXNIRPG-MUWHJKNJSA-N 0 0 247.088 2.039 10 0 BEAERN CCc1cc(Br)ccc1OCCO ZINC000059690457 342855018 /nfs/dbraw/zinc/85/50/18/342855018.db2.gz DABIIPHLPHOTMQ-UHFFFAOYSA-N 0 0 245.116 2.383 10 0 BEAERN CCN(c1nc(F)c(F)cc1F)C1CC1 ZINC000233420660 342861043 /nfs/dbraw/zinc/86/10/43/342861043.db2.gz NBTKLBPFAUKUKU-UHFFFAOYSA-N 0 0 216.206 2.488 10 0 BEAERN O=C1CSC[C@H]1CC1(O)CCCCC1 ZINC000134556950 342865688 /nfs/dbraw/zinc/86/56/88/342865688.db2.gz SUCRSGQTNXGUOQ-SECBINFHSA-N 0 0 214.330 2.004 10 0 BEAERN O=c1cc(Cl)nc(C2CC2)n1CC1CC1 ZINC000165011156 342865953 /nfs/dbraw/zinc/86/59/53/342865953.db2.gz SDSMQZCMXJUQIB-UHFFFAOYSA-N 0 0 224.691 2.184 10 0 BEAERN Brc1nc([C@H]2CCOC2)cs1 ZINC000165005829 342866016 /nfs/dbraw/zinc/86/60/16/342866016.db2.gz ICWAJOGZWAAXFI-YFKPBYRVSA-N 0 0 234.118 2.410 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000132501403 398305620 /nfs/dbraw/zinc/30/56/20/398305620.db2.gz IRSYTWUHKWKHRY-RITPCOANSA-N 0 0 217.194 2.316 10 0 BEAERN O=C1CSC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000134568011 342868645 /nfs/dbraw/zinc/86/86/45/342868645.db2.gz JUDNHSQCTJZQFD-WDEREUQCSA-N 0 0 222.309 2.042 10 0 BEAERN Cc1nc(C[C@@H]2CSCC2=O)sc1C ZINC000134569769 342868843 /nfs/dbraw/zinc/86/88/43/342868843.db2.gz OVJSDCWMTOOQKA-MRVPVSSYSA-N 0 0 227.354 2.235 10 0 BEAERN CCc1csc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000134573533 342869428 /nfs/dbraw/zinc/86/94/28/342869428.db2.gz UNMKKEMSVQJLAD-VXNVDRBHSA-N 0 0 212.318 2.295 10 0 BEAERN CCc1csc(N[C@H]2CCO[C@@H]2C)n1 ZINC000134573557 342869451 /nfs/dbraw/zinc/86/94/51/342869451.db2.gz UNMKKEMSVQJLAD-APPZFPTMSA-N 0 0 212.318 2.295 10 0 BEAERN C[C@@H](NO)c1cccc2c1OC(F)(F)O2 ZINC000308763078 342870080 /nfs/dbraw/zinc/87/00/80/342870080.db2.gz SCKNJUQTPRDHOP-RXMQYKEDSA-N 0 0 217.171 2.048 10 0 BEAERN COc1ccccc1[C@@H](NO)C(F)(F)F ZINC000308762684 342870086 /nfs/dbraw/zinc/87/00/86/342870086.db2.gz QSBHDRNBWGVNQU-MRVPVSSYSA-N 0 0 221.178 2.277 10 0 BEAERN COc1ccccc1[C@H](NO)C(F)(F)F ZINC000308762686 342870114 /nfs/dbraw/zinc/87/01/14/342870114.db2.gz QSBHDRNBWGVNQU-QMMMGPOBSA-N 0 0 221.178 2.277 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc(Cl)ncc1Cl ZINC000134582948 342870429 /nfs/dbraw/zinc/87/04/29/342870429.db2.gz NIGTVEZLCBPMLX-IYSWYEEDSA-N 0 0 248.113 2.373 10 0 BEAERN CC[C@@H](CCC(C)=O)C(=O)OC(C)C ZINC000077292388 398308180 /nfs/dbraw/zinc/30/81/80/398308180.db2.gz WJFOSFRSGSCPFE-JTQLQIEISA-N 0 0 200.278 2.333 10 0 in-vitro BEAERN Clc1csc(NCc2ncc[nH]2)n1 ZINC000165048706 342872399 /nfs/dbraw/zinc/87/23/99/342872399.db2.gz HBHOLUACHJEBEM-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN O[C@H]1CSC[C@@H]1CCc1cccs1 ZINC000134656356 342875318 /nfs/dbraw/zinc/87/53/18/342875318.db2.gz KAXLDGMLMFZFTB-WPRPVWTQSA-N 0 0 214.355 2.405 10 0 BEAERN O[C@H]1CSC[C@H]1Cc1ccc(F)cc1 ZINC000134659074 342875387 /nfs/dbraw/zinc/87/53/87/342875387.db2.gz ZBCJDOAKAQJHEJ-KOLCDFICSA-N 0 0 212.289 2.092 10 0 BEAERN CCNc1ncnc(Cl)c1Br ZINC000233666345 342876469 /nfs/dbraw/zinc/87/64/69/342876469.db2.gz RGQIJLHSEPBEMU-UHFFFAOYSA-N 0 0 236.500 2.324 10 0 BEAERN Cc1cc(C)c([C@@H](CCO)NO)c(C)c1 ZINC000308939605 342876908 /nfs/dbraw/zinc/87/69/08/342876908.db2.gz DPIPFPJBZMDKKM-LLVKDONJSA-N 0 0 209.289 2.014 10 0 BEAERN CC[C@@H](NO)c1cccc(OC)c1OC ZINC000308953385 342878297 /nfs/dbraw/zinc/87/82/97/342878297.db2.gz IBCKLSBNIUUOLJ-SECBINFHSA-N 0 0 211.261 2.134 10 0 BEAERN O=C1CCOc2cc(F)c(Cl)cc2N1 ZINC000134474424 342857443 /nfs/dbraw/zinc/85/74/43/342857443.db2.gz IYRAMZVZVHNJGO-UHFFFAOYSA-N 0 0 215.611 2.200 10 0 BEAERN CC(C)(C)ON[C@H]1CCOC(C)(C)C1 ZINC000134479169 342857766 /nfs/dbraw/zinc/85/77/66/342857766.db2.gz KGKPCLKKIZQYLW-VIFPVBQESA-N 0 0 201.310 2.264 10 0 BEAERN Clc1cnc2c(Br)nccn12 ZINC000059750164 342859566 /nfs/dbraw/zinc/85/95/66/342859566.db2.gz ATOXNULEPKIGOA-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN NN[C@H](c1sccc1Cl)[C@H]1CCCO1 ZINC000229966429 342859607 /nfs/dbraw/zinc/85/96/07/342859607.db2.gz NQSDPQVUHLRBAT-SFYZADRCSA-N 0 0 232.736 2.085 10 0 BEAERN O=C(c1cnsn1)c1sccc1Cl ZINC000229958973 342860110 /nfs/dbraw/zinc/86/01/10/342860110.db2.gz JVDGTSVVGGPEIG-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN CC[C@@H](O)[C@H](O)c1ccc(Cl)cc1F ZINC000233903415 342897921 /nfs/dbraw/zinc/89/79/21/342897921.db2.gz OMROUGDRGSJGSC-NXEZZACHSA-N 0 0 218.655 2.283 10 0 BEAERN CCOP(=O)(OCC)[C@@H](N)c1cccn1C ZINC000309154881 342898028 /nfs/dbraw/zinc/89/80/28/342898028.db2.gz CKYVJLAPBNGPHF-SNVBAGLBSA-N 0 0 246.247 2.249 10 0 BEAERN CSCCC(=O)N(C)c1ccc(Cl)cn1 ZINC000134739466 342880940 /nfs/dbraw/zinc/88/09/40/342880940.db2.gz LRBFKFRBFUOWSH-UHFFFAOYSA-N 0 0 244.747 2.451 10 0 BEAERN CCOC1CC(Nc2ccnc(F)c2)C1 ZINC000233763491 342881426 /nfs/dbraw/zinc/88/14/26/342881426.db2.gz IKMXPTVBGZCNTK-UHFFFAOYSA-N 0 0 210.252 2.200 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(Cl)ccc1O ZINC000103520826 398321611 /nfs/dbraw/zinc/32/16/11/398321611.db2.gz LBKRUGRPOJZUBT-ZETCQYMHSA-N 0 0 243.690 2.267 10 0 BEAERN COc1cc(C(C)=O)c(N)cc1C(F)(F)F ZINC000309197875 342907662 /nfs/dbraw/zinc/90/76/62/342907662.db2.gz VIHWYMHEZGBHGL-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN Fc1ccc(-n2nccc2-c2ccncn2)cc1 ZINC000078105518 342909174 /nfs/dbraw/zinc/90/91/74/342909174.db2.gz DYKMRAVSPYPHNP-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000233920324 342900816 /nfs/dbraw/zinc/90/08/16/342900816.db2.gz ZJPHFWQLTUVDKE-UHNVWZDZSA-N 0 0 233.102 2.389 10 0 BEAERN Cc1ccc(C)c(C(=O)N2CC[C@H](CCO)C2)c1 ZINC000122959977 178464178 /nfs/dbraw/zinc/46/41/78/178464178.db2.gz RSOLYAORBYNFBU-CYBMUJFWSA-N 0 0 247.338 2.148 10 0 BEAERN Cc1ccc(C)c(C(=O)N2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295951238 178464493 /nfs/dbraw/zinc/46/44/93/178464493.db2.gz GRHPWHAOIMYUSO-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN CCSCC(=O)c1ccc(O)cc1O ZINC000037353248 342929295 /nfs/dbraw/zinc/92/92/95/342929295.db2.gz PSUZTPVXQLVUIA-UHFFFAOYSA-N 0 0 212.270 2.034 10 0 BEAERN Cc1cc(N)ccc1S[C@@H]1CCOC1 ZINC000070533288 398330436 /nfs/dbraw/zinc/33/04/36/398330436.db2.gz OQSGRANPKXHROH-SNVBAGLBSA-N 0 0 209.314 2.458 10 0 BEAERN Cc1cccc(NC2CCC(O)CC2)n1 ZINC000037670499 342939532 /nfs/dbraw/zinc/93/95/32/342939532.db2.gz GAWFOVRTZQUTHV-UHFFFAOYSA-N 0 0 206.289 2.105 10 0 BEAERN CC(C)(C)OC(=O)NCc1nccc(Cl)n1 ZINC000238179036 398337838 /nfs/dbraw/zinc/33/78/38/398337838.db2.gz XFKXEVLVAPUBOB-UHFFFAOYSA-N 0 0 243.694 2.155 10 0 BEAERN Cc1ccc([C@@H](NN)c2ccsc2)o1 ZINC000157303873 344013206 /nfs/dbraw/zinc/01/32/06/344013206.db2.gz GGOQHEOPYDDDBF-JTQLQIEISA-N 0 0 208.286 2.202 10 0 BEAERN COC(=O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000124722754 398339053 /nfs/dbraw/zinc/33/90/53/398339053.db2.gz CFHNKDBBWMWYLH-LLVKDONJSA-N 0 0 237.299 2.288 10 0 BEAERN Nc1cc(F)cnc1NCc1ccccc1 ZINC000224038546 398333871 /nfs/dbraw/zinc/33/38/71/398333871.db2.gz ARZFSBOKASTZBA-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN CCOC(=O)C[C@H](COC)c1cccc(O)c1 ZINC000260267395 349677070 /nfs/dbraw/zinc/67/70/70/349677070.db2.gz QYSKOWYJCSEORS-LLVKDONJSA-N 0 0 238.283 2.075 10 0 BEAERN CC1CC(C(=O)NCc2ccccc2)C1 ZINC000084735115 398342672 /nfs/dbraw/zinc/34/26/72/398342672.db2.gz IDMYXYSKXCBVOP-UHFFFAOYSA-N 0 0 203.285 2.349 10 0 BEAERN O=Cc1ccc(-c2cn3cccnc3n2)cc1 ZINC000034213332 398343341 /nfs/dbraw/zinc/34/33/41/398343341.db2.gz UYQVESWAEZEPPY-UHFFFAOYSA-N 0 0 223.235 2.209 10 0 BEAERN CN(C)c1ccc(C(N)=S)c(Cl)c1 ZINC000061849120 398344410 /nfs/dbraw/zinc/34/44/10/398344410.db2.gz KAWHGOLQQHUWQP-UHFFFAOYSA-N 0 0 214.721 2.040 10 0 BEAERN Fc1cc([C@@H]2NCCS2)cc(F)c1F ZINC000062707224 346903743 /nfs/dbraw/zinc/90/37/43/346903743.db2.gz FMEACVZBJABGAE-SECBINFHSA-N 0 0 219.231 2.439 10 0 BEAERN O=Cc1cc(F)c(N2CCCC2)c(F)c1 ZINC000062706825 346903792 /nfs/dbraw/zinc/90/37/92/346903792.db2.gz LLKSKLQSQVRMMH-UHFFFAOYSA-N 0 0 211.211 2.378 10 0 BEAERN Brc1nnc(-c2ccoc2)o1 ZINC000157833911 344019997 /nfs/dbraw/zinc/01/99/97/344019997.db2.gz HTEYQTBHIWNUMG-UHFFFAOYSA-N 0 0 215.006 2.092 10 0 BEAERN Nc1ccc(NCc2cccnc2)c(F)c1 ZINC000020135651 342971479 /nfs/dbraw/zinc/97/14/79/342971479.db2.gz IDCBLIHNHOOXSW-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CCCO[C@@H](C)C1 ZINC000171422261 534930501 /nfs/dbraw/zinc/93/05/01/534930501.db2.gz PCOURLOLZKBTMY-NEPJUHHUSA-N 0 0 227.348 2.306 10 0 BEAERN CC(C)c1cc(I)ncn1 ZINC000167724136 346911043 /nfs/dbraw/zinc/91/10/43/346911043.db2.gz JOTVPCLXFSHLOT-UHFFFAOYSA-N 0 0 248.067 2.205 10 0 BEAERN CN1C=CCC(C(=O)NCCc2ccccc2)=C1 ZINC000138649357 342982037 /nfs/dbraw/zinc/98/20/37/342982037.db2.gz ICZSAAFHPAWTNR-UHFFFAOYSA-N 0 0 242.322 2.078 10 0 BEAERN C[NH+](C)[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000043391400 343001344 /nfs/dbraw/zinc/00/13/44/343001344.db2.gz QIQQJUMUABJULG-VIFPVBQESA-N 0 0 231.654 2.166 10 0 BEAERN O[C@@H]1c2ccccc2OCc2ncccc21 ZINC000036459972 343005422 /nfs/dbraw/zinc/00/54/22/343005422.db2.gz BDDYFCNOFFIYTE-ZDUSSCGKSA-N 0 0 213.236 2.056 10 0 BEAERN FC(F)(F)c1ccn(-c2ccc(Cl)nn2)n1 ZINC000043298911 343040753 /nfs/dbraw/zinc/04/07/53/343040753.db2.gz DEIDSOGWOSZKPL-UHFFFAOYSA-N 0 0 248.595 2.335 10 0 BEAERN Cc1cc(CNc2nc(N)ns2)cs1 ZINC000307384927 352535063 /nfs/dbraw/zinc/53/50/63/352535063.db2.gz JDUZWJQGESVNHA-UHFFFAOYSA-N 0 0 226.330 2.102 10 0 BEAERN COC(=O)c1cc(C(C)(C)C)nc(C2CC2)n1 ZINC000261026227 349791890 /nfs/dbraw/zinc/79/18/90/349791890.db2.gz BAQIEFYKFRZINP-UHFFFAOYSA-N 0 0 234.299 2.438 10 0 BEAERN COCc1ccc(C(=O)N2CCCC[C@@H]2C)o1 ZINC000123053322 187226424 /nfs/dbraw/zinc/22/64/24/187226424.db2.gz DWZABSVEAVTLNP-JTQLQIEISA-N 0 0 237.299 2.441 10 0 BEAERN Cc1cccc(CNC(=O)Nc2ccncc2)n1 ZINC000048954536 343074000 /nfs/dbraw/zinc/07/40/00/343074000.db2.gz NPBOOFRQJCNZKN-UHFFFAOYSA-N 0 0 242.282 2.107 10 0 BEAERN OCCCNc1cc(Br)ccc1F ZINC000043444165 343071217 /nfs/dbraw/zinc/07/12/17/343071217.db2.gz BACGFYYBVYUTKF-UHFFFAOYSA-N 0 0 248.095 2.383 10 0 BEAERN CC1(OCc2ccc(Cl)s2)C[NH2+]C1 ZINC000214712310 349794241 /nfs/dbraw/zinc/79/42/41/349794241.db2.gz MNGJEKUYKUBGAN-UHFFFAOYSA-N 0 0 217.721 2.280 10 0 BEAERN OCc1ccc(C(F)(F)Br)nc1 ZINC000584880363 343080799 /nfs/dbraw/zinc/08/07/99/343080799.db2.gz VKEOZPOJWAGKFC-UHFFFAOYSA-N 0 0 238.031 2.018 10 0 BEAERN Cc1cc(C=O)ccc1-c1ccc(N)nc1 ZINC000584880559 343081149 /nfs/dbraw/zinc/08/11/49/343081149.db2.gz FVNCULSDHVYSLX-UHFFFAOYSA-N 0 0 212.252 2.282 10 0 BEAERN Nc1ccc(-c2ccsc2C=O)cn1 ZINC000584880558 343081305 /nfs/dbraw/zinc/08/13/05/343081305.db2.gz FQUZTWUMOOOSJA-UHFFFAOYSA-N 0 0 204.254 2.035 10 0 BEAERN Cc1ncc(-c2ccc(C=O)nc2)s1 ZINC000584880874 343081579 /nfs/dbraw/zinc/08/15/79/343081579.db2.gz IMSSUVHEMZKZKN-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CCn1cc(C(=O)OC)c2ccc(N)cc21 ZINC000584880982 343082086 /nfs/dbraw/zinc/08/20/86/343082086.db2.gz KGMDWUQVCNXSHH-UHFFFAOYSA-N 0 0 218.256 2.030 10 0 BEAERN CCCCn1ncc2c1ncc(N)c2NCC ZINC000584882259 343084571 /nfs/dbraw/zinc/08/45/71/343084571.db2.gz XZNJNQFLNBJOKG-UHFFFAOYSA-N 0 0 233.319 2.245 10 0 BEAERN Nc1cnc2c(F)ccc(Cl)c2c1N ZINC000584882810 343085689 /nfs/dbraw/zinc/08/56/89/343085689.db2.gz SUGNHINFPZDEPO-UHFFFAOYSA-N 0 0 211.627 2.022 10 0 BEAERN COC(=O)[C@@H](/N=C/c1ccc(O)cc1)C(C)C ZINC000013473926 343089351 /nfs/dbraw/zinc/08/93/51/343089351.db2.gz AICFAABHAREUFX-ACLQVGRQSA-N 0 0 235.283 2.009 10 0 BEAERN O=c1[nH]c(NCC(F)F)cc2ccccc21 ZINC000147881326 343075956 /nfs/dbraw/zinc/07/59/56/343075956.db2.gz XJPIMHAGRYSUID-UHFFFAOYSA-N 0 0 224.210 2.205 10 0 BEAERN CCn1nc(C(F)(F)F)c(N)c1Cl ZINC000145927265 343076089 /nfs/dbraw/zinc/07/60/89/343076089.db2.gz UMPPUNAWPVEADV-UHFFFAOYSA-N 0 0 213.590 2.157 10 0 BEAERN CC[C@@H]1CCCC[C@H]1NC(=O)n1ccnc1 ZINC000042581650 362010219 /nfs/dbraw/zinc/01/02/19/362010219.db2.gz GHFGWGXUVDBEDS-GHMZBOCLSA-N 0 0 221.304 2.410 10 0 BEAERN Fc1cc(Cl)ccc1N1CN=NC1=S ZINC000042591747 362011485 /nfs/dbraw/zinc/01/14/85/362011485.db2.gz FYZBCKQAWMOHGD-UHFFFAOYSA-N 0 0 229.667 2.349 10 0 BEAERN Cn1cccc1-c1cc(C(F)(F)F)[nH]n1 ZINC000043463638 343077868 /nfs/dbraw/zinc/07/78/68/343077868.db2.gz HCCZFKWFTRGLMJ-UHFFFAOYSA-N 0 0 215.178 2.434 10 0 BEAERN OCCC[C@@H](O)c1cc2ccccc2o1 ZINC000236490633 343096864 /nfs/dbraw/zinc/09/68/64/343096864.db2.gz SKRDPZZCIUYBSF-SNVBAGLBSA-N 0 0 206.241 2.239 10 0 BEAERN CCOC(=O)Cc1c(F)c(F)cc(F)c1F ZINC000043503665 343100370 /nfs/dbraw/zinc/10/03/70/343100370.db2.gz NRROGYUCZGPPCA-UHFFFAOYSA-N 0 0 236.164 2.349 10 0 BEAERN Cc1nccnc1CN[C@H](C)c1cncc(F)c1 ZINC000621343845 343100779 /nfs/dbraw/zinc/10/07/79/343100779.db2.gz SUPAUWSBJWDHLJ-SECBINFHSA-N 0 0 246.289 2.170 10 0 BEAERN COCC(=O)c1ccc(Cl)c(F)c1 ZINC000043504739 343101464 /nfs/dbraw/zinc/10/14/64/343101464.db2.gz KXNVDQPVFIMODI-UHFFFAOYSA-N 0 0 202.612 2.308 10 0 BEAERN COCC(=O)c1cc(C)c(OC)c(C)c1 ZINC000043504818 343101677 /nfs/dbraw/zinc/10/16/77/343101677.db2.gz BBZHYOOHVSPGTA-UHFFFAOYSA-N 0 0 208.257 2.141 10 0 BEAERN COCC(=O)c1ccc(Cl)c(OC)c1 ZINC000043504742 343101737 /nfs/dbraw/zinc/10/17/37/343101737.db2.gz QRFHUVXKKXXXSN-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN CCCC(=O)N[C@H]1CCc2cccc(OC)c2C1 ZINC000013833089 343105212 /nfs/dbraw/zinc/10/52/12/343105212.db2.gz IVNFMRONNXTTHN-LBPRGKRZSA-N 0 0 247.338 2.469 10 0 BEAERN CCCC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000013833080 343105257 /nfs/dbraw/zinc/10/52/57/343105257.db2.gz MUHGJKOMDOLETG-CYBMUJFWSA-N 0 0 217.312 2.460 10 0 BEAERN Fc1nc(Br)c(F)c(F)c1F ZINC000142269579 343106996 /nfs/dbraw/zinc/10/69/96/343106996.db2.gz SAWKNGJQPQWPAP-UHFFFAOYSA-N 0 0 229.958 2.401 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000308868325 346926733 /nfs/dbraw/zinc/92/67/33/346926733.db2.gz HMVITCJPFSXXOD-UWVGGRQHSA-N 0 0 226.707 2.450 10 0 BEAERN O=C1CCc2c(ccc3cc(O)ccc32)O1 ZINC000013560932 343094116 /nfs/dbraw/zinc/09/41/16/343094116.db2.gz KAXFNPZUBLDZJX-UHFFFAOYSA-N 0 0 214.220 2.397 10 0 BEAERN O=Cc1ccc(C(=O)c2ccncc2)cc1 ZINC000049814877 343121805 /nfs/dbraw/zinc/12/18/05/343121805.db2.gz OGNOGZDVRQMASO-UHFFFAOYSA-N 0 0 211.220 2.125 10 0 BEAERN COCc1ccccc1NCC(C)(C)O ZINC000049508371 343111153 /nfs/dbraw/zinc/11/11/53/343111153.db2.gz BJBIAZVTMGSWBO-UHFFFAOYSA-N 0 0 209.289 2.016 10 0 BEAERN CCc1noc2cc(C(=O)OC)ccc12 ZINC000142962398 343114778 /nfs/dbraw/zinc/11/47/78/343114778.db2.gz BKUHVCRTIYOLDH-UHFFFAOYSA-N 0 0 205.213 2.177 10 0 BEAERN O=C1C[C@H]2CC[C@@H]1[C@@H](O)[C@@H]2c1ccccc1 ZINC000143058727 343116550 /nfs/dbraw/zinc/11/65/50/343116550.db2.gz VBYAEPOBIZACRL-ZMJPVWNMSA-N 0 0 216.280 2.130 10 0 BEAERN CC(C)c1nc([C@H]2CCCN2C(=O)C2CC2)no1 ZINC000173461205 136270313 /nfs/dbraw/zinc/27/03/13/136270313.db2.gz DIDFKOLSKNMXBJ-SNVBAGLBSA-N 0 0 249.314 2.267 10 0 BEAERN C[C@H](O)CC[C@@H]1OC(=O)c2ccccc21 ZINC000014444834 343124581 /nfs/dbraw/zinc/12/45/81/343124581.db2.gz BOPXPQRBGFXGQN-KWQFWETISA-N 0 0 206.241 2.059 10 0 BEAERN CCOC(=O)c1ccc2c(c1)C[C@@H](CCCO)C2 ZINC000143715457 343127253 /nfs/dbraw/zinc/12/72/53/343127253.db2.gz SHLFCXLYMVMINN-NSHDSACASA-N 0 0 248.322 2.351 10 0 BEAERN CC[C@@H](c1ccccc1)n1cc(N)cn1 ZINC000143880191 343128345 /nfs/dbraw/zinc/12/83/45/343128345.db2.gz YEZJSQITYIOGBW-LBPRGKRZSA-N 0 0 201.273 2.465 10 0 BEAERN O=C(c1ccccc1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000014858465 343132682 /nfs/dbraw/zinc/13/26/82/343132682.db2.gz NWIXXABSFAUOGW-BETUJISGSA-N 0 0 243.306 2.413 10 0 BEAERN C[C@@H](Nc1nccnc1Cl)[C@@H]1CCCO1 ZINC000043537749 343132948 /nfs/dbraw/zinc/13/29/48/343132948.db2.gz MSKSHJQIXDVJRG-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN COC(=O)c1cc(-c2cccc(F)c2)[nH]n1 ZINC000259601221 343135462 /nfs/dbraw/zinc/13/54/62/343135462.db2.gz FHXHUDOJKJMXKN-UHFFFAOYSA-N 0 0 220.203 2.002 10 0 BEAERN COCCCCCNC(=O)N[C@H](C)C(C)C ZINC000058579876 136271936 /nfs/dbraw/zinc/27/19/36/136271936.db2.gz CWQDTLDWBWIMMU-LLVKDONJSA-N 0 0 230.352 2.147 10 0 BEAERN COC[C@@H]1CCCN(C(=O)CCCSC)C1 ZINC000134939461 343136676 /nfs/dbraw/zinc/13/66/76/343136676.db2.gz IFFIEYHJMLSWAB-LLVKDONJSA-N 0 0 245.388 2.015 10 0 BEAERN Cc1cc(Cl)[n+]([O-])c(C)c1Br ZINC000144741341 343137480 /nfs/dbraw/zinc/13/74/80/343137480.db2.gz CUGPZTGDVNQXES-UHFFFAOYSA-N 0 0 236.496 2.353 10 0 BEAERN COc1cc2nc(C)nc(C)c2cc1OC ZINC000144824685 343139469 /nfs/dbraw/zinc/13/94/69/343139469.db2.gz XBRWJBSVGCMMKN-UHFFFAOYSA-N 0 0 218.256 2.264 10 0 BEAERN COc1ccc2[nH]c(=O)c(C(C)(C)C)nc2c1 ZINC000165284683 343139849 /nfs/dbraw/zinc/13/98/49/343139849.db2.gz METLSOZZZNSRDF-UHFFFAOYSA-N 0 0 232.283 2.229 10 0 BEAERN CC(=O)c1cnn(Cc2ccccc2)c1C ZINC000020216592 343139887 /nfs/dbraw/zinc/13/98/87/343139887.db2.gz ZIEGEZDYSRLXCJ-UHFFFAOYSA-N 0 0 214.268 2.442 10 0 BEAERN CCOC(=O)[C@H]1C[C@H]1c1cnc2[nH]ccc2c1 ZINC000165294860 343139911 /nfs/dbraw/zinc/13/99/11/343139911.db2.gz WKOBKBSBABFUCN-QWRGUYRKSA-N 0 0 230.267 2.230 10 0 BEAERN COCCOc1c(C)cc(C=O)cc1C ZINC000020368636 343140372 /nfs/dbraw/zinc/14/03/72/343140372.db2.gz FUXDLWDATHSXDC-UHFFFAOYSA-N 0 0 208.257 2.141 10 0 BEAERN Cc1ccnc(-n2cc(Br)cn2)c1 ZINC000043561835 343158227 /nfs/dbraw/zinc/15/82/27/343158227.db2.gz FDDWLOAWNGYSBM-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CCOC(=O)Nc1ccncc1Br ZINC000126989216 343172127 /nfs/dbraw/zinc/17/21/27/343172127.db2.gz TZVUDGNHCNRYST-UHFFFAOYSA-N 0 0 245.076 2.413 10 0 BEAERN CC1(C)OC(=O)N(CCc2ccccc2)[C@]1(C)O ZINC000000086153 187244179 /nfs/dbraw/zinc/24/41/79/187244179.db2.gz BWUKTKIATRPNJO-CQSZACIVSA-N 0 0 249.310 2.168 10 0 BEAERN Cc1ccc(C)c([C@H](O)CN2C[C@H](C)CC2=O)c1 ZINC000062817655 178502434 /nfs/dbraw/zinc/50/24/34/178502434.db2.gz HCKVWVUDOLDYQM-BXUZGUMPSA-N 0 0 247.338 2.205 10 0 BEAERN COc1cccc(OC)c1CCC(C)=O ZINC000162352476 343205403 /nfs/dbraw/zinc/20/54/03/343205403.db2.gz RBPJUIOWDYHGJK-UHFFFAOYSA-N 0 0 208.257 2.225 10 0 BEAERN COc1cc(N2CCC(=O)CC2)ccc1F ZINC000162936014 343205947 /nfs/dbraw/zinc/20/59/47/343205947.db2.gz UDYHVQIJCCLYTB-UHFFFAOYSA-N 0 0 223.247 2.004 10 0 BEAERN CC(=O)N(Cc1cccc(N)c1)C(C)C ZINC000035365465 187248874 /nfs/dbraw/zinc/24/88/74/187248874.db2.gz LRDQLXBLMIGVHW-UHFFFAOYSA-N 0 0 206.289 2.026 10 0 BEAERN COC[C@H](C)CNc1ccc2c(c1)CCC(=O)N2 ZINC000131832826 343186803 /nfs/dbraw/zinc/18/68/03/343186803.db2.gz VZSGTJJPIDTLFJ-SNVBAGLBSA-N 0 0 248.326 2.266 10 0 BEAERN Nc1ccc2oc(=O)c(-c3ccncc3)cc2c1 ZINC000031623075 343221607 /nfs/dbraw/zinc/22/16/07/343221607.db2.gz ZCWDGFDHXZDMQC-UHFFFAOYSA-N 0 0 238.246 2.437 10 0 BEAERN CC(C)(C)c1ccc(C[C@H](C[NH3+])C(=O)[O-])cc1 ZINC000011979276 187250629 /nfs/dbraw/zinc/25/06/29/187250629.db2.gz FYGHTYXZPMGFJL-LLVKDONJSA-N 0 0 235.327 2.186 10 0 BEAERN Cc1nc2c(C)cc(N)cn2c1Br ZINC000157763561 343233114 /nfs/dbraw/zinc/23/31/14/343233114.db2.gz LVGYSXVYIAGAFJ-UHFFFAOYSA-N 0 0 240.104 2.296 10 0 BEAERN CN(c1ncc(Cl)cc1N)C1CCC1 ZINC000127124455 343233901 /nfs/dbraw/zinc/23/39/01/343233901.db2.gz OHMBBHXNUGKLLW-UHFFFAOYSA-N 0 0 211.696 2.306 10 0 BEAERN Clc1noc(C2CCSCC2)n1 ZINC000401784996 343242039 /nfs/dbraw/zinc/24/20/39/343242039.db2.gz CYQDJKUWBGDWAK-UHFFFAOYSA-N 0 0 204.682 2.334 10 0 BEAERN CC1(CNC(=O)NC[C@@]2(C)CCCO2)CCC1 ZINC000122060880 136277983 /nfs/dbraw/zinc/27/79/83/136277983.db2.gz YUZTXIYSRIMYCC-CYBMUJFWSA-N 0 0 240.347 2.045 10 0 BEAERN CC(C)N(CCO)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000036792982 187249729 /nfs/dbraw/zinc/24/97/29/187249729.db2.gz HCTMNZXHTWPBKT-XQQFMLRXSA-N 0 0 239.359 2.042 10 0 BEAERN Cc1sc(-c2ncccc2C)nc1N ZINC000131888323 343245494 /nfs/dbraw/zinc/24/54/94/343245494.db2.gz HWOAACJEIJPQNT-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN C/C=C\C(=O)NCc1coc(Br)c1 ZINC000378978653 346931714 /nfs/dbraw/zinc/93/17/14/346931714.db2.gz PVKAKGWMHMESPT-IHWYPQMZSA-N 0 0 244.088 2.234 10 0 BEAERN C=CCc1ccccc1O[C@@H](CC)C(N)=O ZINC000238274351 343253387 /nfs/dbraw/zinc/25/33/87/343253387.db2.gz KJZGROTVBPVYSS-NSHDSACASA-N 0 0 219.284 2.058 10 0 BEAERN CC(=O)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000019410769 187252177 /nfs/dbraw/zinc/25/21/77/187252177.db2.gz UEUZLPQKFZBZDM-CQSZACIVSA-N 0 0 233.311 2.479 10 0 BEAERN C=CC[C@@H](Cc1ccc(C)cc1)C(N)=O ZINC000238477587 343257092 /nfs/dbraw/zinc/25/70/92/343257092.db2.gz VXRDONDNIJBDJR-LBPRGKRZSA-N 0 0 203.285 2.215 10 0 BEAERN CC(C)Oc1nc(Cl)c(C#N)s1 ZINC000033835766 343261990 /nfs/dbraw/zinc/26/19/90/343261990.db2.gz LXIWWCYEPNGRTI-UHFFFAOYSA-N 0 0 202.666 2.455 10 0 BEAERN COc1cc(OC)c2ncnc(Cl)c2c1 ZINC000034062418 343263800 /nfs/dbraw/zinc/26/38/00/343263800.db2.gz YLNXMRGXLHLQNM-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN CC(C)(c1nnco1)c1ccc2c(c1)OCO2 ZINC000034457637 343271479 /nfs/dbraw/zinc/27/14/79/343271479.db2.gz MWQXVISLSIGMCT-UHFFFAOYSA-N 0 0 232.239 2.124 10 0 BEAERN CC(=O)c1ccc2c(c1)CCC[C@@]2(C)O ZINC000034590275 343275422 /nfs/dbraw/zinc/27/54/22/343275422.db2.gz ZIGYQOKCQNOZHK-CYBMUJFWSA-N 0 0 204.269 2.433 10 0 BEAERN CC(=O)CC(=O)Nc1ccc(Cl)cc1F ZINC000019408838 187251940 /nfs/dbraw/zinc/25/19/40/187251940.db2.gz FXAQDCZIMJGEJZ-UHFFFAOYSA-N 0 0 229.638 2.397 10 0 BEAERN Cn1ccnc1CNCc1ccc(Cl)cc1 ZINC000034937763 343281586 /nfs/dbraw/zinc/28/15/86/343281586.db2.gz VZELAQBALDFHSI-UHFFFAOYSA-N 0 0 235.718 2.363 10 0 BEAERN Cc1ccc(C2(C(=O)[O-])CC[NH2+]CC2)cc1C ZINC000083101293 178510287 /nfs/dbraw/zinc/51/02/87/178510287.db2.gz KBFWCKGNHJVNPH-UHFFFAOYSA-N 0 0 233.311 2.009 10 0 BEAERN Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000036683536 343322615 /nfs/dbraw/zinc/32/26/15/343322615.db2.gz VWVQSXKERDEZAA-UHFFFAOYSA-N 0 0 216.206 2.147 10 0 BEAERN COc1cc([C@H](NO)C(F)(F)F)ccc1F ZINC000309353275 343324511 /nfs/dbraw/zinc/32/45/11/343324511.db2.gz GGPRTKZPQSVFAE-QMMMGPOBSA-N 0 0 239.168 2.417 10 0 BEAERN CC(C)[C@H](N)c1nc(Cc2ccc(F)cc2)no1 ZINC000036925439 343327990 /nfs/dbraw/zinc/32/79/90/343327990.db2.gz XEZFWRLCISXFBG-LBPRGKRZSA-N 0 0 249.289 2.455 10 0 BEAERN Cc1nccc(CNCc2ccsc2)n1 ZINC000037997784 187254893 /nfs/dbraw/zinc/25/48/93/187254893.db2.gz NPPNBUICLYHAHQ-UHFFFAOYSA-N 0 0 219.313 2.136 10 0 BEAERN CC(=O)Nc1ccccc1Oc1ncccc1N ZINC000022174294 187255140 /nfs/dbraw/zinc/25/51/40/187255140.db2.gz MRNNATWIPVDDEX-UHFFFAOYSA-N 0 0 243.266 2.415 10 0 BEAERN CC(C)(C)OC(=O)n1nnc2cc(C=O)ccc21 ZINC000035976528 343306036 /nfs/dbraw/zinc/30/60/36/343306036.db2.gz YYXYUGUATOIORB-UHFFFAOYSA-N 0 0 247.254 2.027 10 0 BEAERN Brc1cc(-c2cnco2)ccn1 ZINC000146750512 343306970 /nfs/dbraw/zinc/30/69/70/343306970.db2.gz DXJLXUKANNJWDB-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN COc1ccc([C@@H](O)c2ccccc2)c(O)c1 ZINC000021951359 187253599 /nfs/dbraw/zinc/25/35/99/187253599.db2.gz GSVOXUSYDITLIP-AWEZNQCLSA-N 0 0 230.263 2.483 10 0 BEAERN COC(=O)c1nc(OC(F)(F)F)ccc1C ZINC000309365153 343333233 /nfs/dbraw/zinc/33/32/33/343333233.db2.gz NYEGHMOKYZQWTN-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN COP(=O)(OC)c1ccc2ccccc2n1 ZINC000038272546 343373101 /nfs/dbraw/zinc/37/31/01/343373101.db2.gz XWOUBOJPHVHGIT-UHFFFAOYSA-N 0 0 237.195 2.346 10 0 BEAERN COC(=O)c1nc2cccc(C(F)(F)F)c2[n-]1 ZINC000038276753 343373114 /nfs/dbraw/zinc/37/31/14/343373114.db2.gz MKSVCJPDPLLXFF-UHFFFAOYSA-N 0 0 244.172 2.368 10 0 BEAERN Cc1cc(OC(C)C)nn1-c1ccccn1 ZINC000147455274 343375028 /nfs/dbraw/zinc/37/50/28/343375028.db2.gz IJQLMPMPBWEYGU-UHFFFAOYSA-N 0 0 217.272 2.363 10 0 BEAERN CC[C@](C)(O)[C@@H](O)c1occc1Br ZINC000234081729 343334719 /nfs/dbraw/zinc/33/47/19/343334719.db2.gz YCSIBYKRDRLVME-IUCAKERBSA-N 0 0 249.104 2.237 10 0 BEAERN COc1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000147588142 343377379 /nfs/dbraw/zinc/37/73/79/343377379.db2.gz NIMNZYPVYVRSKQ-UHFFFAOYSA-N 0 0 226.297 2.021 10 0 BEAERN Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000027852440 187255626 /nfs/dbraw/zinc/25/56/26/187255626.db2.gz PGNUEFAODSLBII-DDOQPMFUSA-N 0 0 249.310 2.285 10 0 BEAERN CCOC(=O)CCCCNC(=O)c1ccccc1 ZINC000013356324 362175937 /nfs/dbraw/zinc/17/59/37/362175937.db2.gz HSEVCUSGYIDVDF-UHFFFAOYSA-N 0 0 249.310 2.150 10 0 BEAERN FC(F)(F)CNc1nsnc1Cl ZINC000037372252 343343826 /nfs/dbraw/zinc/34/38/26/343343826.db2.gz NMPZZEZIRZNRLA-UHFFFAOYSA-N 0 0 217.603 2.166 10 0 BEAERN CN(c1nsnc1Cl)[C@@H]1CCSC1 ZINC000037372339 343343840 /nfs/dbraw/zinc/34/38/40/343343840.db2.gz ZUBXSYVVKHHXRM-RXMQYKEDSA-N 0 0 235.765 2.133 10 0 BEAERN Clc1nsnc1Sc1nncs1 ZINC000037372583 343343928 /nfs/dbraw/zinc/34/39/28/343343928.db2.gz XJFWVAGMBRSOPV-UHFFFAOYSA-N 0 0 236.734 2.194 10 0 BEAERN NNc1c(F)cc(F)cc1Br ZINC000037392871 343344574 /nfs/dbraw/zinc/34/45/74/343344574.db2.gz BVTPRXGGQHZFSD-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN COC(C)(C)C[C@H](C)Nc1ccn(C)n1 ZINC000037471693 343346290 /nfs/dbraw/zinc/34/62/90/343346290.db2.gz KXCKBKXXSRHBLP-VIFPVBQESA-N 0 0 211.309 2.036 10 0 BEAERN Cc1cnn(-c2ccc([C@H](C)O)cc2F)c1 ZINC000037677499 343350957 /nfs/dbraw/zinc/35/09/57/343350957.db2.gz IHCUUOFFMDGDTN-VIFPVBQESA-N 0 0 220.247 2.373 10 0 BEAERN CCOC(=O)/C=C/C=C/Br ZINC000034563071 346935375 /nfs/dbraw/zinc/93/53/75/346935375.db2.gz PNMILZVBDACFSN-GGWOSOGESA-N 0 0 205.051 2.014 10 0 BEAERN C/C=C/C=C/C(=O)Nc1cc(N)ccc1F ZINC000036278059 187259308 /nfs/dbraw/zinc/25/93/08/187259308.db2.gz OABCUUZPYJFCFL-MQQKCMAXSA-N 0 0 220.247 2.479 10 0 BEAERN Cc1nc(Nc2ccc3c(c2)OCO3)ccc1N ZINC000036251621 187259380 /nfs/dbraw/zinc/25/93/80/187259380.db2.gz PFXLKFLITHAFIA-UHFFFAOYSA-N 0 0 243.266 2.445 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000034066783 187257796 /nfs/dbraw/zinc/25/77/96/187257796.db2.gz QSYFKNULUJGLOG-ZWNOBZJWSA-N 0 0 233.311 2.215 10 0 BEAERN CCOc1cc(N)cc(COC)c1CC ZINC000039099682 343383563 /nfs/dbraw/zinc/38/35/63/343383563.db2.gz ZUOACYCGCXXIAF-UHFFFAOYSA-N 0 0 209.289 2.376 10 0 BEAERN CCc1c(OC)cc(N)c2ncccc12 ZINC000039100761 343383985 /nfs/dbraw/zinc/38/39/85/343383985.db2.gz BNHJQUREJAMZKI-UHFFFAOYSA-N 0 0 202.257 2.388 10 0 BEAERN CCOc1nc2cc(C)c(C)cc2c(=O)o1 ZINC000039100546 343384085 /nfs/dbraw/zinc/38/40/85/343384085.db2.gz GXRCXLLUOWNDRA-UHFFFAOYSA-N 0 0 219.240 2.204 10 0 BEAERN COc1c(C)cc(O)cc1Br ZINC000039109848 343384842 /nfs/dbraw/zinc/38/48/42/343384842.db2.gz OEOUXIYJVORICL-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CCCc1nc(F)sc1C(=O)OCC ZINC000039123367 343385917 /nfs/dbraw/zinc/38/59/17/343385917.db2.gz GCYDZTKVZBYSPR-UHFFFAOYSA-N 0 0 217.265 2.411 10 0 BEAERN CCOC(=O)c1cc(O)c2c(c1)CCCC2 ZINC000039149998 343386167 /nfs/dbraw/zinc/38/61/67/343386167.db2.gz LXDYLJCZDOCGAW-UHFFFAOYSA-N 0 0 220.268 2.448 10 0 BEAERN CCCNc1ccc(C(N)=S)cc1C ZINC000037733480 187260347 /nfs/dbraw/zinc/26/03/47/187260347.db2.gz JEYNHCSQPHLWHW-UHFFFAOYSA-N 0 0 208.330 2.451 10 0 BEAERN CCc1ccc(C2(C(=O)[O-])CC[NH+](C)CC2)cc1 ZINC000039390181 343389427 /nfs/dbraw/zinc/38/94/27/343389427.db2.gz WJLKQJPYOGWKST-UHFFFAOYSA-N 0 0 247.338 2.297 10 0 BEAERN O=C(c1nc2c(cccc2O)[nH]1)c1ccccc1 ZINC000039410644 343389707 /nfs/dbraw/zinc/38/97/07/343389707.db2.gz HGFXFRNIEKXMCA-UHFFFAOYSA-N 0 0 238.246 2.500 10 0 BEAERN Brc1ccc(OCC2COC2)cc1 ZINC000201750629 343390513 /nfs/dbraw/zinc/39/05/13/343390513.db2.gz HWLGJUOAAXLXSW-UHFFFAOYSA-N 0 0 243.100 2.474 10 0 BEAERN Clc1nc2c(ncnc2Cl)s1 ZINC000039698237 343392142 /nfs/dbraw/zinc/39/21/42/343392142.db2.gz HIETVCLWXWMCSD-UHFFFAOYSA-N 0 0 206.057 2.393 10 0 BEAERN CSc1[nH]nc2ncnc(NC(C)(C)C)c21 ZINC000041528568 343421365 /nfs/dbraw/zinc/42/13/65/343421365.db2.gz LTIQOIQBJMROKP-UHFFFAOYSA-N 0 0 237.332 2.285 10 0 BEAERN O=C(Cc1ccccc1)NCCc1nccs1 ZINC000041535736 343421384 /nfs/dbraw/zinc/42/13/84/343421384.db2.gz CLCYMYQNUBOVHQ-UHFFFAOYSA-N 0 0 246.335 2.045 10 0 BEAERN Cc1nc(C)c(NC(=O)[C@H]2CC[C@H](C)O2)s1 ZINC000335709228 136336833 /nfs/dbraw/zinc/33/68/33/136336833.db2.gz AUJIBWXRKKMUJL-IMTBSYHQSA-N 0 0 240.328 2.266 10 0 BEAERN O=C(Nc1ccc(F)cn1)N1C[C@H]2CCC[C@H]21 ZINC000335708480 136336951 /nfs/dbraw/zinc/33/69/51/136336951.db2.gz QNDHKTRJMJSPFB-PSASIEDQSA-N 0 0 235.262 2.237 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOCC2(CC2)C1 ZINC000335716988 136339596 /nfs/dbraw/zinc/33/95/96/136339596.db2.gz NMJAALAKXUDQNC-NEPJUHHUSA-N 0 0 237.343 2.062 10 0 BEAERN C[C@@H]1[C@@H](C)CCCN1c1nnc(C2CC2)n1C ZINC000335845519 136354873 /nfs/dbraw/zinc/35/48/73/136354873.db2.gz YESIKIDNUFOCSP-VHSXEESVSA-N 0 0 234.347 2.317 10 0 BEAERN CC[C@H]1C[C@H]1NC1N=NC(=S)S1 ZINC000234140116 343448591 /nfs/dbraw/zinc/44/85/91/343448591.db2.gz XQLWEHSIYHFCKC-CRCLSJGQSA-N 0 0 201.320 2.037 10 0 BEAERN Cc1ccc(C(=O)NC2CCCC2)c(C)n1 ZINC000048384575 136372763 /nfs/dbraw/zinc/37/27/63/136372763.db2.gz AFYBZEIPZFTKBP-UHFFFAOYSA-N 0 0 218.300 2.371 10 0 BEAERN COC(=O)C(=C([O-])c1ccccc1)C(C)C ZINC000043502446 343475839 /nfs/dbraw/zinc/47/58/39/343475839.db2.gz OFSPVPOCRMGQFE-NSHDSACASA-N 0 0 220.268 2.315 10 0 BEAERN CN(c1nccnc1Cl)[C@@H]1CCSC1 ZINC000043537688 343477311 /nfs/dbraw/zinc/47/73/11/343477311.db2.gz RHQJNVFPKGZSAI-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN COc1cc2nc(C)c(C)n2nc1Cl ZINC000149931162 343461654 /nfs/dbraw/zinc/46/16/54/343461654.db2.gz YTHKOCVKGMYNSY-UHFFFAOYSA-N 0 0 211.652 2.008 10 0 BEAERN O[C@H]1CCCC[C@@H]1n1ccc(C(F)(F)F)n1 ZINC000043298933 343467550 /nfs/dbraw/zinc/46/75/50/343467550.db2.gz SQTRKIBGCCJYFE-YUMQZZPRSA-N 0 0 234.221 2.378 10 0 BEAERN COC(=O)Nc1csc(C(F)(F)F)n1 ZINC000044672372 343511482 /nfs/dbraw/zinc/51/14/82/343511482.db2.gz JAFIZUJZORLERD-UHFFFAOYSA-N 0 0 226.179 2.340 10 0 BEAERN COC(=O)c1sccc1NCC1CC1 ZINC000118884180 343517959 /nfs/dbraw/zinc/51/79/59/343517959.db2.gz AUFBUPUMXHZODI-UHFFFAOYSA-N 0 0 211.286 2.357 10 0 BEAERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)COC ZINC000178049413 346945141 /nfs/dbraw/zinc/94/51/41/346945141.db2.gz VUHGLKCIVZKKNP-GARJFASQSA-N 0 0 245.388 2.059 10 0 BEAERN COC(=O)C[C@H]1c2cc(OC)ccc2N[C@H]1C ZINC000163520231 343529580 /nfs/dbraw/zinc/52/95/80/343529580.db2.gz ALAVRIFVODNBPL-WCBMZHEXSA-N 0 0 235.283 2.156 10 0 BEAERN CSCC(=O)NCCc1cccc(Cl)c1 ZINC000045600978 343531446 /nfs/dbraw/zinc/53/14/46/343531446.db2.gz WSXAWFQBBVHTKV-UHFFFAOYSA-N 0 0 243.759 2.362 10 0 BEAERN CCc1ccc(C(=O)CCC(=O)NC2CC2)cc1 ZINC000045828718 343535026 /nfs/dbraw/zinc/53/50/26/343535026.db2.gz RTLSQBCZFQAYDV-UHFFFAOYSA-N 0 0 245.322 2.491 10 0 BEAERN CN1C[C@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616683009 343536522 /nfs/dbraw/zinc/53/65/22/343536522.db2.gz NFEUBFODSHYHBN-LLVKDONJSA-N 0 0 214.272 2.013 10 0 BEAERN CC(C)(C)[C@H]1CN(CCO)c2ccccc2N1 ZINC000616684363 343537565 /nfs/dbraw/zinc/53/75/65/343537565.db2.gz YIEGTUDRNIGYEV-CYBMUJFWSA-N 0 0 234.343 2.326 10 0 BEAERN C/C(=C\C(N)=O)c1ccccc1Br ZINC000000007182 343537897 /nfs/dbraw/zinc/53/78/97/343537897.db2.gz ICZGZHIGSLVNHS-VOTSOKGWSA-N 0 0 240.100 2.338 10 0 BEAERN CCc1ccc2[nH]cc(CCNC(C)=O)c2c1 ZINC000039102966 187263638 /nfs/dbraw/zinc/26/36/38/187263638.db2.gz FXMLNCITBKIOGV-UHFFFAOYSA-N 0 0 230.311 2.409 10 0 BEAERN CCC1N=NC(=S)N1CC1(C)CCC1 ZINC000234159064 343499645 /nfs/dbraw/zinc/49/96/45/343499645.db2.gz ZFAHUWFWZWGTJH-UHFFFAOYSA-N 0 0 211.334 2.319 10 0 BEAERN CC(=O)c1cc(=O)c(OCc2ccccc2)co1 ZINC000166824715 343576931 /nfs/dbraw/zinc/57/69/31/343576931.db2.gz OVMQADZOWKLAIZ-UHFFFAOYSA-N 0 0 244.246 2.421 10 0 BEAERN COc1ccccc1C[C@@H](C)NNC(C)C ZINC000019167757 343554148 /nfs/dbraw/zinc/55/41/48/343554148.db2.gz VUAADOXGOAKYDT-LLVKDONJSA-N 0 0 222.332 2.129 10 0 BEAERN C[C@@H]1C[C@H](C)CN1Cc1nnc(Cl)s1 ZINC000157781262 343556263 /nfs/dbraw/zinc/55/62/63/343556263.db2.gz KIYXFUSGHSYDIF-NKWVEPMBSA-N 0 0 231.752 2.422 10 0 BEAERN COc1ccc(C[C@H](O)c2cccnc2)cc1 ZINC000041251137 187265051 /nfs/dbraw/zinc/26/50/51/187265051.db2.gz KAYNOOCBRQRYOH-AWEZNQCLSA-N 0 0 229.279 2.366 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000123455760 537788175 /nfs/dbraw/zinc/78/81/75/537788175.db2.gz ONOASHVESGJOOK-IRCOFANPSA-N 0 0 240.347 2.042 10 0 BEAERN COc1cccc(OC)c1[C@H]1CCCCC(=O)N1 ZINC000167391445 343593395 /nfs/dbraw/zinc/59/33/95/343593395.db2.gz KSUCIPVCFUINER-SNVBAGLBSA-N 0 0 249.310 2.435 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NC1CCC2(CC2)CC1 ZINC000335863461 344034825 /nfs/dbraw/zinc/03/48/25/344034825.db2.gz QCJSRZITBHKKKE-GXSJLCMTSA-N 0 0 222.332 2.417 10 0 BEAERN NOCCCc1ccc(Br)cc1 ZINC000019729410 343581131 /nfs/dbraw/zinc/58/11/31/343581131.db2.gz ZZUWMAHIWJVKNV-UHFFFAOYSA-N 0 0 230.105 2.272 10 0 BEAERN COc1ccc(Sc2ncc(N)cn2)cc1 ZINC000040456203 187264546 /nfs/dbraw/zinc/26/45/46/187264546.db2.gz VEGSEGAKJBKVCK-UHFFFAOYSA-N 0 0 233.296 2.219 10 0 BEAERN CC(=O)O[C@H]1CON=C1c1ccc(Cl)cc1 ZINC000205073489 343617015 /nfs/dbraw/zinc/61/70/15/343617015.db2.gz CBMRSPTXHQCFHW-JTQLQIEISA-N 0 0 239.658 2.006 10 0 BEAERN Cc1c(CNC(=O)Nc2ccccc2)cnn1C ZINC000028579898 343597339 /nfs/dbraw/zinc/59/73/39/343597339.db2.gz UBGNCILAEMNCEO-UHFFFAOYSA-N 0 0 244.298 2.050 10 0 BEAERN CC(=O)N(C)c1cccc2c(C=O)nccc21 ZINC000167627198 343599904 /nfs/dbraw/zinc/59/99/04/343599904.db2.gz NACCCDBLYPKCGN-UHFFFAOYSA-N 0 0 228.251 2.030 10 0 BEAERN COC(=O)C[C@H](CCO)c1cccc(Cl)c1 ZINC000205285383 343622547 /nfs/dbraw/zinc/62/25/47/343622547.db2.gz IEIKCKAUJGWZMR-JTQLQIEISA-N 0 0 242.702 2.369 10 0 BEAERN COC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1CO1 ZINC000205381401 343626162 /nfs/dbraw/zinc/62/61/62/343626162.db2.gz MHWXNFLYCKKJAH-MNOVXSKESA-N 0 0 240.686 2.386 10 0 BEAERN CCOC(=O)c1cc(=O)c2cc(N=O)ccc2o1 ZINC000205483936 343630229 /nfs/dbraw/zinc/63/02/29/343630229.db2.gz PQDDXOZMGCGUNK-UHFFFAOYSA-N 0 0 247.206 2.368 10 0 BEAERN CCOC(=O)c1cc(OC)c(F)c(F)c1F ZINC000145220763 343631392 /nfs/dbraw/zinc/63/13/92/343631392.db2.gz XTMYIEIMUNPCAN-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN c1cc2c(s1)CCN[C@H]2c1cnsc1 ZINC000712922340 537796050 /nfs/dbraw/zinc/79/60/50/537796050.db2.gz GWAVCWOYGSETFF-JTQLQIEISA-N 0 0 222.338 2.440 10 0 BEAERN Cc1cnn2c1NCC[C@@H]2[C@H]1CC[C@H](C)O1 ZINC000300014809 537801195 /nfs/dbraw/zinc/80/11/95/537801195.db2.gz CARYNJNOXRIHDV-HBNTYKKESA-N 0 0 221.304 2.116 10 0 BEAERN Cc1cc(Cl)c(CO)cc1[N+](=O)[O-] ZINC000145230563 343651738 /nfs/dbraw/zinc/65/17/38/343651738.db2.gz KOPFWMUURXUKKL-UHFFFAOYSA-N 0 0 201.609 2.049 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCC[C@H](C)CC2 ZINC000300033144 537801732 /nfs/dbraw/zinc/80/17/32/537801732.db2.gz WPUVWTAERXMFBE-GDPRMGEGSA-N 0 0 232.707 2.464 10 0 BEAERN COC1(CNc2ccnc(F)c2)CCC1 ZINC000234772790 343654795 /nfs/dbraw/zinc/65/47/95/343654795.db2.gz DAUBQUZDEHFLHA-UHFFFAOYSA-N 0 0 210.252 2.202 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@H](C)CC[C@@H]2C ZINC000300029219 537802128 /nfs/dbraw/zinc/80/21/28/537802128.db2.gz OICVUWWHSSDCBR-IFFSRLJSSA-N 0 0 232.707 2.320 10 0 BEAERN OCc1cccc2c1CCc1ccccc1[C@H]2O ZINC000166534494 343670429 /nfs/dbraw/zinc/67/04/29/343670429.db2.gz ZJRVXLIJVVBKAF-MRXNPFEDSA-N 0 0 240.302 2.359 10 0 BEAERN CC(C)n1ccc(CN2[C@H](C)COC[C@H]2C)n1 ZINC000077366792 343690881 /nfs/dbraw/zinc/69/08/81/343690881.db2.gz ZQZXBCZEVIHVNN-VXGBXAGGSA-N 0 0 237.347 2.073 10 0 BEAERN CNc1ncnc(NCc2ccccc2)c1C ZINC000128361031 346952965 /nfs/dbraw/zinc/95/29/65/346952965.db2.gz UZPZPAIGLQSEHG-UHFFFAOYSA-N 0 0 228.299 2.439 10 0 BEAERN CC[C@@H](C)Cn1nc(C)c(Cl)c1N ZINC000043667892 343696571 /nfs/dbraw/zinc/69/65/71/343696571.db2.gz QZJPZQFXWARYNI-ZCFIWIBFSA-N 0 0 201.701 2.473 10 0 BEAERN CC[C@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000043651548 343696620 /nfs/dbraw/zinc/69/66/20/343696620.db2.gz URZUCBXSIZETTK-BQBZGAKWSA-N 0 0 204.216 2.216 10 0 BEAERN Cc1ccnc(NC2(CO)CCCCC2)c1 ZINC000053096393 187270985 /nfs/dbraw/zinc/27/09/85/187270985.db2.gz TZLIDQHXUQVFFB-UHFFFAOYSA-N 0 0 220.316 2.497 10 0 BEAERN C1=C2C[C@@H](O1)n1c3ccccc3nc1O2 ZINC000045238598 187269343 /nfs/dbraw/zinc/26/93/43/187269343.db2.gz XFONKEYJZASVCQ-SNVBAGLBSA-N 0 0 200.197 2.189 10 0 BEAERN CCCCOc1ccnc(NC2CC2)n1 ZINC000058825539 343702585 /nfs/dbraw/zinc/70/25/85/343702585.db2.gz HJLZAKPYELTKHH-UHFFFAOYSA-N 0 0 207.277 2.230 10 0 BEAERN CC(C)C[C@@H](C[NH+](C)C)n1cccc1C(=O)[O-] ZINC000049559861 187270164 /nfs/dbraw/zinc/27/01/64/187270164.db2.gz NTAJJUMSZQNEQL-NSHDSACASA-N 0 0 238.331 2.335 10 0 BEAERN Cc1cccc(C)c1NC(=O)CC[C@@H](C)O ZINC000049818402 187270610 /nfs/dbraw/zinc/27/06/10/187270610.db2.gz RLSBQUYSYDUHML-LLVKDONJSA-N 0 0 221.300 2.403 10 0 BEAERN O=Cc1cccc(Br)c1N1CCC1 ZINC000402909598 346962978 /nfs/dbraw/zinc/96/29/78/346962978.db2.gz IZQQNLXXCDUEHJ-UHFFFAOYSA-N 0 0 240.100 2.472 10 0 BEAERN O[C@]1(C(F)F)CCc2c1cccc2F ZINC000215014549 349850541 /nfs/dbraw/zinc/85/05/41/349850541.db2.gz MPKAPJFPAPOEDM-SNVBAGLBSA-N 0 0 202.175 2.225 10 0 BEAERN C[C@@H](CCCC(N)=O)C[C@@H](O)C(C)(C)C ZINC000206833940 343712940 /nfs/dbraw/zinc/71/29/40/343712940.db2.gz BVWAQEKZUPVHIY-VHSXEESVSA-N 0 0 215.337 2.075 10 0 BEAERN CCCc1noc(C(OCC)OCC)n1 ZINC000082583242 537806849 /nfs/dbraw/zinc/80/68/49/537806849.db2.gz AHRZDSHYLNESQO-UHFFFAOYSA-N 0 0 214.265 2.094 10 0 BEAERN COc1cccc(OC(=O)C2CCOCC2)c1 ZINC000060665395 343719839 /nfs/dbraw/zinc/71/98/39/343719839.db2.gz IYUUMECAFASDCI-UHFFFAOYSA-N 0 0 236.267 2.027 10 0 BEAERN Cc1cc(NC(=O)c2cc(C)ccc2N)on1 ZINC000052999670 187271180 /nfs/dbraw/zinc/27/11/80/187271180.db2.gz RNVKCAAFQJFKMD-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1ccc(F)cc1C(=O)Cc1cnn(C)c1 ZINC000052138537 187271181 /nfs/dbraw/zinc/27/11/81/187271181.db2.gz YMPSTPBAHAKSSG-UHFFFAOYSA-N 0 0 232.258 2.293 10 0 BEAERN O=C([O-])CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000005813775 343771890 /nfs/dbraw/zinc/77/18/90/343771890.db2.gz JNYIZIRJPHQNSU-LBPRGKRZSA-N 0 0 234.299 2.083 10 0 BEAERN CCCCOC[C@H](O)CSC[C@H]1CCCO1 ZINC000309123301 346968818 /nfs/dbraw/zinc/96/88/18/346968818.db2.gz ZRDWQJSLGWMHBK-NWDGAFQWSA-N 0 0 248.388 2.076 10 0 BEAERN OC[C@H](Nc1ccnc(Cl)n1)c1ccccc1 ZINC000063011978 343747642 /nfs/dbraw/zinc/74/76/42/343747642.db2.gz QFJZDDJAWQSCBX-JTQLQIEISA-N 0 0 249.701 2.276 10 0 BEAERN C[C@@](O)(c1cccs1)c1cccnc1 ZINC000063076932 343748555 /nfs/dbraw/zinc/74/85/55/343748555.db2.gz XELKPSXXJFLKLD-NSHDSACASA-N 0 0 205.282 2.399 10 0 BEAERN Cc1cc2c(ncnc2NC[C@@H](C)CO)s1 ZINC000090072911 343749660 /nfs/dbraw/zinc/74/96/60/343749660.db2.gz UOKNVIQLNZJYRD-SSDOTTSWSA-N 0 0 237.328 2.040 10 0 BEAERN O=C(c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062775554 346963733 /nfs/dbraw/zinc/96/37/33/346963733.db2.gz VCRLYCLCRUGJSC-UHFFFAOYSA-N 0 0 212.661 2.356 10 0 BEAERN CC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000238135335 537816051 /nfs/dbraw/zinc/81/60/51/537816051.db2.gz CADUMNJZRWKFGE-SNVBAGLBSA-N 0 0 227.304 2.269 10 0 BEAERN CSCCCCNC(=O)[C@@H](C)OCC1CC1 ZINC000126212328 343781873 /nfs/dbraw/zinc/78/18/73/343781873.db2.gz JQLWPTPAINHVDM-SNVBAGLBSA-N 0 0 245.388 2.061 10 0 BEAERN Nc1cccnc1N1Cc2ccccc2C1 ZINC000050910840 343782467 /nfs/dbraw/zinc/78/24/67/343782467.db2.gz UPQVQFCUNAXAIA-UHFFFAOYSA-N 0 0 211.268 2.184 10 0 BEAERN COc1ccc(CC(=O)C[C@H]2CCCO2)cc1 ZINC000053767566 187272643 /nfs/dbraw/zinc/27/26/43/187272643.db2.gz UCOOIKDNJYQAAV-CQSZACIVSA-N 0 0 234.295 2.376 10 0 BEAERN CC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000057496607 187272776 /nfs/dbraw/zinc/27/27/76/187272776.db2.gz LNAPZNCPAZUBHS-UHFFFAOYSA-N 0 0 211.648 2.176 10 0 BEAERN O=Cc1cnn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000051174618 346974496 /nfs/dbraw/zinc/97/44/96/346974496.db2.gz ZPTUWNBCEWLMGQ-UHFFFAOYSA-N 0 0 242.065 2.387 10 0 BEAERN Oc1cc2c(cc1Br)OCCCO2 ZINC000214949552 343792296 /nfs/dbraw/zinc/79/22/96/343792296.db2.gz NIZRRSSSZLCJMH-UHFFFAOYSA-N 0 0 245.072 2.316 10 0 BEAERN O=Cc1cn(Cc2cc(F)ccc2F)cn1 ZINC000236153166 343795520 /nfs/dbraw/zinc/79/55/20/343795520.db2.gz BBDVMOVNFRBJLR-UHFFFAOYSA-N 0 0 222.194 2.022 10 0 BEAERN Cc1ccc(-c2cc(=O)[nH]c(C)n2)cc1F ZINC000235881181 343795676 /nfs/dbraw/zinc/79/56/76/343795676.db2.gz RRXPLEJOKCISBZ-UHFFFAOYSA-N 0 0 218.231 2.193 10 0 BEAERN Nc1cccnc1N1CC[C@@H](C(F)(F)F)C1 ZINC000304374091 343796793 /nfs/dbraw/zinc/79/67/93/343796793.db2.gz ILPVRFHCCRRBOD-SSDOTTSWSA-N 0 0 231.221 2.052 10 0 BEAERN Nc1cccnc1N1CC[C@H](C(F)(F)F)C1 ZINC000304374093 343796901 /nfs/dbraw/zinc/79/69/01/343796901.db2.gz ILPVRFHCCRRBOD-ZETCQYMHSA-N 0 0 231.221 2.052 10 0 BEAERN O=Cc1cn2c(n1)CO[C@@H](c1ccsc1)C2 ZINC000409426557 343798417 /nfs/dbraw/zinc/79/84/17/343798417.db2.gz FLCLRSXYVXDKJN-SNVBAGLBSA-N 0 0 234.280 2.029 10 0 BEAERN Nc1ccccc1N1CCOC[C@H]2CCC[C@H]21 ZINC000409426553 343798528 /nfs/dbraw/zinc/79/85/28/343798528.db2.gz FKXKHBQBCPRPOD-DGCLKSJQSA-N 0 0 232.327 2.274 10 0 BEAERN CCOC[C@H]1CCCN1c1nccnc1Cl ZINC000409426679 343798588 /nfs/dbraw/zinc/79/85/88/343798588.db2.gz IMLBHYTVXJZUPB-SECBINFHSA-N 0 0 241.722 2.135 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000409427152 343799927 /nfs/dbraw/zinc/79/99/27/343799927.db2.gz HREFKYSMHFBDLD-NWDGAFQWSA-N 0 0 234.299 2.082 10 0 BEAERN c1cc2c(s1)-c1ncncc1CCN2 ZINC000409427255 343800547 /nfs/dbraw/zinc/80/05/47/343800547.db2.gz VLMFTIBCFUGVAU-UHFFFAOYSA-N 0 0 203.270 2.173 10 0 BEAERN Cc1nn(C)c2cnc(Br)cc12 ZINC000216200273 346981143 /nfs/dbraw/zinc/98/11/43/346981143.db2.gz DUEHDNLCZHYYPA-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN CCN(c1ccc(N)cn1)C1CCSCC1 ZINC000409425971 343820853 /nfs/dbraw/zinc/82/08/53/343820853.db2.gz BPCHKJJBROPMPU-UHFFFAOYSA-N 0 0 237.372 2.386 10 0 BEAERN COC(=O)Cc1cccc(Cl)c1OC ZINC000221260993 346983671 /nfs/dbraw/zinc/98/36/71/346983671.db2.gz ULXKFDVETMMEAD-UHFFFAOYSA-N 0 0 214.648 2.064 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409433141 343826460 /nfs/dbraw/zinc/82/64/60/343826460.db2.gz XOKWTEVRYDTKAW-OPRDCNLKSA-N 0 0 247.285 2.217 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409433140 343826576 /nfs/dbraw/zinc/82/65/76/343826576.db2.gz XOKWTEVRYDTKAW-LPEHRKFASA-N 0 0 247.285 2.217 10 0 BEAERN FCC1CCN(c2nccnc2Cl)CC1 ZINC000409428679 343804164 /nfs/dbraw/zinc/80/41/64/343804164.db2.gz MTWARNJJXIIUKF-UHFFFAOYSA-N 0 0 229.686 2.316 10 0 BEAERN CC(C)CN(CC(C)C)c1cc(=O)[nH]c(=O)[nH]1 ZINC000409429377 343805572 /nfs/dbraw/zinc/80/55/72/343805572.db2.gz JJEJUPVMEOKZTG-UHFFFAOYSA-N 0 0 239.319 2.006 10 0 BEAERN FC(F)(F)c1ccnnc1Br ZINC000409429435 343805603 /nfs/dbraw/zinc/80/56/03/343805603.db2.gz CKFGRCVMXWFQOR-UHFFFAOYSA-N 0 0 226.983 2.258 10 0 BEAERN CC(C)c1cc(-c2cccnc2)nn1CO ZINC000409440979 343854613 /nfs/dbraw/zinc/85/46/13/343854613.db2.gz OWFPSEZIYZVSMG-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN CC(C)c1[nH]nc(-c2ccncc2)c1C=O ZINC000409441036 343855017 /nfs/dbraw/zinc/85/50/17/343855017.db2.gz PKCAFUOWBIGNSV-UHFFFAOYSA-N 0 0 215.256 2.408 10 0 BEAERN Nc1cccnc1N(C1CC1)[C@H]1CCSC1 ZINC000409435558 343834485 /nfs/dbraw/zinc/83/44/85/343834485.db2.gz VKSUYBHDGHXHDG-JTQLQIEISA-N 0 0 235.356 2.138 10 0 BEAERN O=c1[nH]c(-c2ccc(F)c(F)c2)cc(=S)[nH]1 ZINC000409437571 343840969 /nfs/dbraw/zinc/84/09/69/343840969.db2.gz HFCALRISMOGTRJ-UHFFFAOYSA-N 0 0 240.234 2.416 10 0 BEAERN Cc1ccc([C@@H](NN)c2cccs2)o1 ZINC000128593435 349876813 /nfs/dbraw/zinc/87/68/13/349876813.db2.gz FOZBEZCNGGJXJS-SNVBAGLBSA-N 0 0 208.286 2.202 10 0 BEAERN O=c1[nH]c(-c2ccc(F)cc2)cc(=S)[nH]1 ZINC000409437047 343842251 /nfs/dbraw/zinc/84/22/51/343842251.db2.gz BYKUAUIUESSDSZ-UHFFFAOYSA-N 0 0 222.244 2.277 10 0 BEAERN c1cn2nc(C3CC3)cc2n1CC1CC1 ZINC000409438822 343845294 /nfs/dbraw/zinc/84/52/94/343845294.db2.gz MQDFPEAKQAUZNH-UHFFFAOYSA-N 0 0 201.273 2.423 10 0 BEAERN CC(C)Cc1[nH]nc(C(C)C)c1CCO ZINC000409439133 343846408 /nfs/dbraw/zinc/84/64/08/343846408.db2.gz HFYLXINZOSNKCX-UHFFFAOYSA-N 0 0 210.321 2.266 10 0 BEAERN Cn1nc(-c2cccnc2)c2c1CCCC2 ZINC000409439398 343847351 /nfs/dbraw/zinc/84/73/51/343847351.db2.gz PHSXFSBIZNYFHU-UHFFFAOYSA-N 0 0 213.284 2.361 10 0 BEAERN COC(=O)[C@H](C)n1nc(C2CC2)cc1C1CC1 ZINC000409439465 343847589 /nfs/dbraw/zinc/84/75/89/343847589.db2.gz IBTRIDAPGLKAOV-QMMMGPOBSA-N 0 0 234.299 2.372 10 0 BEAERN C[C@H](O)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000409438199 343849688 /nfs/dbraw/zinc/84/96/88/343849688.db2.gz CKQASYUPWFHVPW-YFKPBYRVSA-N 0 0 224.647 2.042 10 0 BEAERN CCCCOCC(=O)NCCCCSC ZINC000126272550 343850797 /nfs/dbraw/zinc/85/07/97/343850797.db2.gz NCLFDMBPIHJQPH-UHFFFAOYSA-N 0 0 233.377 2.063 10 0 BEAERN O=C(c1cnn(C(F)F)c1)C(F)(F)F ZINC000585142778 343876783 /nfs/dbraw/zinc/87/67/83/343876783.db2.gz VYYIMRKROSHXDX-UHFFFAOYSA-N 0 0 214.093 2.023 10 0 BEAERN CCc1[nH]nc(C2CCC2)c1CCC(=O)OC ZINC000409442421 343858386 /nfs/dbraw/zinc/85/83/86/343858386.db2.gz ZSWMQODXSWPUBV-UHFFFAOYSA-N 0 0 236.315 2.345 10 0 BEAERN NCc1noc(C2(n3cccc3)CCCCC2)n1 ZINC000409442517 343858658 /nfs/dbraw/zinc/85/86/58/343858658.db2.gz WHHABJSETUSHDT-UHFFFAOYSA-N 0 0 246.314 2.038 10 0 BEAERN N=C(NO)[C@@H](c1ccccc1F)n1cccc1 ZINC000409442583 343858906 /nfs/dbraw/zinc/85/89/06/343858906.db2.gz XNFHRRQWIHWVSA-LLVKDONJSA-N 0 0 233.246 2.173 10 0 BEAERN CC(C)n1ncc2c1nc(C1CC1)cc2CO ZINC000409441365 343858925 /nfs/dbraw/zinc/85/89/25/343858925.db2.gz PAEVAEDDPLGVCK-UHFFFAOYSA-N 0 0 231.299 2.382 10 0 BEAERN Nc1cc(-c2cccs2)nn1C[C@H]1CCCO1 ZINC000409441398 343859026 /nfs/dbraw/zinc/85/90/26/343859026.db2.gz XLRKUUFEYLKPSH-SECBINFHSA-N 0 0 249.339 2.373 10 0 BEAERN N=C(NO)[C@H](c1ccccc1F)n1cccc1 ZINC000409442584 343859062 /nfs/dbraw/zinc/85/90/62/343859062.db2.gz XNFHRRQWIHWVSA-NSHDSACASA-N 0 0 233.246 2.173 10 0 BEAERN Cn1nc(-c2ccsc2)c2c1CCOC2 ZINC000409441724 343860560 /nfs/dbraw/zinc/86/05/60/343860560.db2.gz ZSOGFEORMVADFE-UHFFFAOYSA-N 0 0 220.297 2.221 10 0 BEAERN O=Cc1c(C2CCOCC2)[nH]nc1C(F)(F)F ZINC000409441917 343861746 /nfs/dbraw/zinc/86/17/46/343861746.db2.gz VAWJPAQFQGRUMA-UHFFFAOYSA-N 0 0 248.204 2.135 10 0 BEAERN CC(C)n1nc(-c2ccsc2)cc1C(N)=O ZINC000409443622 343862245 /nfs/dbraw/zinc/86/22/45/343862245.db2.gz QNWIQSWMSAERAJ-UHFFFAOYSA-N 0 0 235.312 2.291 10 0 BEAERN O=Cc1cc(-c2ccccc2)nn1CCF ZINC000409443643 343862382 /nfs/dbraw/zinc/86/23/82/343862382.db2.gz QSDFPNCAGYWVAO-UHFFFAOYSA-N 0 0 218.231 2.332 10 0 BEAERN OCc1cc(-c2ccccc2)nn1C(F)F ZINC000409443713 343862867 /nfs/dbraw/zinc/86/28/67/343862867.db2.gz SEKAMPCURZEFDH-UHFFFAOYSA-N 0 0 224.210 2.438 10 0 BEAERN OCc1cc(-c2cccs2)nn1CCF ZINC000409442791 343864710 /nfs/dbraw/zinc/86/47/10/343864710.db2.gz AOWDCPLPEDKKNL-UHFFFAOYSA-N 0 0 226.276 2.073 10 0 BEAERN CC(C)Cn1nc(-c2ccccn2)cc1CO ZINC000409443174 343866148 /nfs/dbraw/zinc/86/61/48/343866148.db2.gz IFMCECAPWIFLHM-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN COC(=O)c1cc(Cc2cccs2)nc(C)n1 ZINC000575622127 343868704 /nfs/dbraw/zinc/86/87/04/343868704.db2.gz GJSKDIMQSAOCFN-UHFFFAOYSA-N 0 0 248.307 2.224 10 0 BEAERN COC(=O)c1cc(CC2CCCCC2)ncn1 ZINC000575621960 343870451 /nfs/dbraw/zinc/87/04/51/343870451.db2.gz BGJSLOPHYXOBPB-UHFFFAOYSA-N 0 0 234.299 2.386 10 0 BEAERN COC(=O)c1cc(C2CCC2)nc(C2CC2)n1 ZINC000575622717 343874747 /nfs/dbraw/zinc/87/47/47/343874747.db2.gz RHLHQBNDVWYIPJ-UHFFFAOYSA-N 0 0 232.283 2.408 10 0 BEAERN CCOC(=O)c1cc(CC(C)(C)C)ncn1 ZINC000575622840 343875279 /nfs/dbraw/zinc/87/52/79/343875279.db2.gz VVLBZECEBFVSLB-UHFFFAOYSA-N 0 0 222.288 2.242 10 0 BEAERN Cc1cccnc1-c1nnc(Br)o1 ZINC000157806136 343886470 /nfs/dbraw/zinc/88/64/70/343886470.db2.gz CCCPKKPKIROLFA-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CC(=O)c1c(Br)cnn1C(C)C ZINC000075844523 187278043 /nfs/dbraw/zinc/27/80/43/187278043.db2.gz YIBHBAKCGHEOSP-UHFFFAOYSA-N 0 0 231.093 2.429 10 0 BEAERN Cc1nc(Br)ncc1Cl ZINC000299889501 187354223 /nfs/dbraw/zinc/35/42/23/187354223.db2.gz KGDQPSQFWZUACC-UHFFFAOYSA-N 0 0 207.458 2.201 10 0 BEAERN Brc1ccccc1COC1COC1 ZINC000165606250 343937127 /nfs/dbraw/zinc/93/71/27/343937127.db2.gz LOWBUGDCZDMZGE-UHFFFAOYSA-N 0 0 243.100 2.365 10 0 BEAERN Cc1ccnc(N)c1C(=O)CC(F)(F)F ZINC000069942048 343944467 /nfs/dbraw/zinc/94/44/67/343944467.db2.gz CWRMDYLZGZIUCH-UHFFFAOYSA-N 0 0 218.178 2.107 10 0 BEAERN CNc1ccc(Oc2nncs2)cc1 ZINC000069967750 343945034 /nfs/dbraw/zinc/94/50/34/343945034.db2.gz XIODYEVYGLVYOB-UHFFFAOYSA-N 0 0 207.258 2.372 10 0 BEAERN Cc1nc(-c2nnc(Br)o2)cs1 ZINC000157815011 343920071 /nfs/dbraw/zinc/92/00/71/343920071.db2.gz BCUYVNMPGHCRCH-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN FC(F)(F)CCc1nnc(Br)o1 ZINC000157815316 343920181 /nfs/dbraw/zinc/92/01/81/343920181.db2.gz CPLPRPVRQRKJOM-UHFFFAOYSA-N 0 0 244.998 2.327 10 0 BEAERN O=C(Nc1cnoc1)c1cc2ccccc2[nH]1 ZINC000060393504 343920612 /nfs/dbraw/zinc/92/06/12/343920612.db2.gz ILGAIRYPKOZIJB-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN Cc1ccc(COC(=O)CNC(C)C)cc1 ZINC000077332272 187279957 /nfs/dbraw/zinc/27/99/57/187279957.db2.gz JJKCLHLCEDPOKO-UHFFFAOYSA-N 0 0 221.300 2.036 10 0 BEAERN O[C@]1(c2occc2Br)CCCOC1 ZINC000070017564 343947037 /nfs/dbraw/zinc/94/70/37/343947037.db2.gz FJUYUWBDZGYCBE-SECBINFHSA-N 0 0 247.088 2.040 10 0 BEAERN CCn1cc(C[C@@H]2CCCC(=O)C2)cn1 ZINC000070737436 343954829 /nfs/dbraw/zinc/95/48/29/343954829.db2.gz VPYQYXNOWIOYPA-JTQLQIEISA-N 0 0 206.289 2.205 10 0 BEAERN Clc1cc(Cl)nc(-c2ccncn2)n1 ZINC000070982033 343958391 /nfs/dbraw/zinc/95/83/91/343958391.db2.gz BCASPSJRMGEQEH-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN CCN1C(=O)S/C(=C\c2ccc(N)cc2)C1=O ZINC000096905854 344050261 /nfs/dbraw/zinc/05/02/61/344050261.db2.gz WCYPSSIFMWBVSJ-YFHOEESVSA-N 0 0 248.307 2.325 10 0 BEAERN C[C@@H]1COCCN1c1cc(Cl)nnc1Cl ZINC000127226802 344055515 /nfs/dbraw/zinc/05/55/15/344055515.db2.gz FRANGXJGIYHMMZ-ZCFIWIBFSA-N 0 0 248.113 2.009 10 0 BEAERN CC[C@H](NC[C@@H](C)c1ccccc1)C(=O)OC ZINC000083362420 187285235 /nfs/dbraw/zinc/28/52/35/187285235.db2.gz HNEBQBZHVPVPPG-YPMHNXCESA-N 0 0 235.327 2.331 10 0 BEAERN CCC1(NC(=O)c2ccc(F)nc2)CCC1 ZINC000128978954 187285355 /nfs/dbraw/zinc/28/53/55/187285355.db2.gz ONXWAUQTYOFWRO-UHFFFAOYSA-N 0 0 222.263 2.283 10 0 BEAERN C[C@H]1Nc2ccc(Br)cc2NC1=O ZINC000086158710 187285427 /nfs/dbraw/zinc/28/54/27/187285427.db2.gz KIVJGGNEHZDPNV-RXMQYKEDSA-N 0 0 241.088 2.202 10 0 BEAERN CC[C@H]1CS[C@H](c2cscn2)N1 ZINC000126798091 344105052 /nfs/dbraw/zinc/10/50/52/344105052.db2.gz DUWRVNWUVSRZNS-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN CC(C)n1cncc1I ZINC000220211927 344109138 /nfs/dbraw/zinc/10/91/38/344109138.db2.gz KLIQWNJZFQUYKT-UHFFFAOYSA-N 0 0 236.056 2.069 10 0 BEAERN Cc1cncc(C(=O)C(F)(F)C(F)F)c1 ZINC000235794900 344133165 /nfs/dbraw/zinc/13/31/65/344133165.db2.gz HUPWBXMXUCWOHM-UHFFFAOYSA-N 0 0 221.153 2.473 10 0 BEAERN COC(=O)c1ccnc(N[C@@H](C)C(C)C)c1 ZINC000220280365 344135037 /nfs/dbraw/zinc/13/50/37/344135037.db2.gz DPTKAVWPXXSCPP-VIFPVBQESA-N 0 0 222.288 2.325 10 0 BEAERN C[C@H](O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000215937157 344135418 /nfs/dbraw/zinc/13/54/18/344135418.db2.gz YCTHTGCKEXSUBT-WKEGUHRASA-N 0 0 218.655 2.283 10 0 BEAERN COC(=O)C(C)(C)C[C@H]1CCCCO1 ZINC000585143266 344176914 /nfs/dbraw/zinc/17/69/14/344176914.db2.gz RBSARXPILKOBHV-SECBINFHSA-N 0 0 200.278 2.145 10 0 BEAERN C[C@H]1OCC[C@]1(CO)Cc1ccsc1 ZINC000127328462 344142406 /nfs/dbraw/zinc/14/24/06/344142406.db2.gz XKGPFKYNZZVZMI-MWLCHTKSSA-N 0 0 212.314 2.078 10 0 BEAERN CC(=O)c1ccc(C)c(Br)n1 ZINC000095830181 187288945 /nfs/dbraw/zinc/28/89/45/187288945.db2.gz AGUMKKNZBWTRFB-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN CCCC#Cc1cc(C=O)ccc1C(=O)OC ZINC000166877747 344151881 /nfs/dbraw/zinc/15/18/81/344151881.db2.gz SYHVSQLPWXOXEL-UHFFFAOYSA-N 0 0 230.263 2.437 10 0 BEAERN O=C1CCC[C@@H]1[C@@H](O)c1ccc(F)cc1 ZINC000217871490 344209209 /nfs/dbraw/zinc/20/92/09/344209209.db2.gz RRMNLTZFRCOUDP-JQWIXIFHSA-N 0 0 208.232 2.228 10 0 BEAERN CN(C)c1nccc(Cc2ccccc2)n1 ZINC000027198069 344234661 /nfs/dbraw/zinc/23/46/61/344234661.db2.gz WGHLROAVYMNIGB-UHFFFAOYSA-N 0 0 213.284 2.133 10 0 BEAERN Cn1cncc1-c1ccc(C=O)c(F)c1 ZINC000616574946 344189569 /nfs/dbraw/zinc/18/95/69/344189569.db2.gz REBVOXVYKHBCHZ-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN COc1cc(F)c(Br)c(CO)c1 ZINC000216947308 344190851 /nfs/dbraw/zinc/19/08/51/344190851.db2.gz GLXUNTWMUOJIPA-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN COC(=O)CCC(=O)c1cc(F)cc(F)c1 ZINC000234685822 344196727 /nfs/dbraw/zinc/19/67/27/344196727.db2.gz QJIQFAIUZSEONA-UHFFFAOYSA-N 0 0 228.194 2.101 10 0 BEAERN CC(C)Cn1cnc(C(=O)OC(C)(C)C)c1 ZINC000097673663 187289808 /nfs/dbraw/zinc/28/98/08/187289808.db2.gz XFKPXSIFTWZYQZ-UHFFFAOYSA-N 0 0 224.304 2.494 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CC(C)(C)C1 ZINC000217764050 344206312 /nfs/dbraw/zinc/20/63/12/344206312.db2.gz YSBZINBIZFCHTH-ZJUUUORDSA-N 0 0 243.347 2.451 10 0 BEAERN Cc1cnc(CN2CCO[C@H]3CCCC[C@H]32)o1 ZINC000247506541 344296390 /nfs/dbraw/zinc/29/63/90/344296390.db2.gz MDNAHDUAFCQXLK-NEPJUHHUSA-N 0 0 236.315 2.126 10 0 BEAERN CCO[C@H](C)c1nc([C@H]2CCCO2)no1 ZINC000408227586 344264085 /nfs/dbraw/zinc/26/40/85/344264085.db2.gz XVLLUSNBMMOSAL-HTQZYQBOSA-N 0 0 212.249 2.019 10 0 BEAERN Cn1ccc(CC(=O)c2ccoc2Cl)n1 ZINC000236088863 344296944 /nfs/dbraw/zinc/29/69/44/344296944.db2.gz FHQPOYFUKLRKRU-UHFFFAOYSA-N 0 0 224.647 2.092 10 0 BEAERN Brc1nc([C@H]2CCCOC2)ns1 ZINC000166016283 344276129 /nfs/dbraw/zinc/27/61/29/344276129.db2.gz GIOWUYAMUQYFRN-YFKPBYRVSA-N 0 0 249.133 2.195 10 0 BEAERN Brc1nc([C@@H]2CCCOC2)ns1 ZINC000166016412 344276217 /nfs/dbraw/zinc/27/62/17/344276217.db2.gz GIOWUYAMUQYFRN-RXMQYKEDSA-N 0 0 249.133 2.195 10 0 BEAERN O=c1cc(-c2ccc(Cl)s2)nc[nH]1 ZINC000236040922 344286931 /nfs/dbraw/zinc/28/69/31/344286931.db2.gz MOVUBVKSYPEJMR-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN CC(C)C(=O)Nc1ccnc(-c2ccncc2)n1 ZINC000027986251 344323525 /nfs/dbraw/zinc/32/35/25/344323525.db2.gz MCKLFMRKFKYTFJ-UHFFFAOYSA-N 0 0 242.282 2.133 10 0 BEAERN Cc1nccc(N[C@H]2CCc3cc(N)ccc32)n1 ZINC000094093063 344326044 /nfs/dbraw/zinc/32/60/44/344326044.db2.gz OIJNJXSLHNHCCK-ZDUSSCGKSA-N 0 0 240.310 2.467 10 0 BEAERN CN(C(=O)OC1CCC(O)CC1)C(C)(C)C ZINC000095705283 344355624 /nfs/dbraw/zinc/35/56/24/344355624.db2.gz LJYSTERJWQTKOJ-UHFFFAOYSA-N 0 0 229.320 2.157 10 0 BEAERN CCCC[C@@H](C)c1[nH]nc2ncnc(N)c21 ZINC000095934757 344358294 /nfs/dbraw/zinc/35/82/94/344358294.db2.gz FZVFLFXOICTTOG-SSDOTTSWSA-N 0 0 219.292 2.229 10 0 BEAERN C[C@H](O)c1ccc(Br)c(C#N)c1 ZINC000219999466 344307151 /nfs/dbraw/zinc/30/71/51/344307151.db2.gz BTKDGCRHFBBJPR-LURJTMIESA-N 0 0 226.073 2.374 10 0 BEAERN OC1(CSc2ncco2)CCCCC1 ZINC000236469274 344390297 /nfs/dbraw/zinc/39/02/97/344390297.db2.gz OBACKIVCHULMSD-UHFFFAOYSA-N 0 0 213.302 2.462 10 0 BEAERN CSCc1nsc(Br)n1 ZINC000166026485 344393057 /nfs/dbraw/zinc/39/30/57/344393057.db2.gz YMOYMFKWQBLJAA-UHFFFAOYSA-N 0 0 225.136 2.164 10 0 BEAERN O[C@H](CC1OCCO1)C1CCCCCC1 ZINC000236531274 344395951 /nfs/dbraw/zinc/39/59/51/344395951.db2.gz AVGYTOYFFWFAGX-LLVKDONJSA-N 0 0 214.305 2.081 10 0 BEAERN ONCc1cc(F)ccc1Br ZINC000236532985 344395968 /nfs/dbraw/zinc/39/59/68/344395968.db2.gz QSXZWYBKLWASSD-UHFFFAOYSA-N 0 0 220.041 2.067 10 0 BEAERN O[C@H]1CCCC[C@@H]1SC[C@H]1CCCO1 ZINC000236545819 344397026 /nfs/dbraw/zinc/39/70/26/344397026.db2.gz JWUMRXCRDTUQTH-VWYCJHECSA-N 0 0 216.346 2.202 10 0 BEAERN CC(C)C(=O)c1ccc2c(c1)OCCO2 ZINC000011631534 344402317 /nfs/dbraw/zinc/40/23/17/344402317.db2.gz KQHIDEMFYOWTLZ-UHFFFAOYSA-N 0 0 206.241 2.297 10 0 BEAERN O=C(c1ccns1)C1CCSCC1 ZINC000402090869 344416298 /nfs/dbraw/zinc/41/62/98/344416298.db2.gz SSENVCXXRNFKLE-UHFFFAOYSA-N 0 0 213.327 2.469 10 0 BEAERN Nc1ncn(-c2ccc(Cl)cc2Cl)n1 ZINC000306724620 344417601 /nfs/dbraw/zinc/41/76/01/344417601.db2.gz VBTZUYYJBRSBEU-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN COc1ccc2ccc(CCO)cc2c1 ZINC000108376556 344503170 /nfs/dbraw/zinc/50/31/70/344503170.db2.gz OWVHTFQUYVSUGL-UHFFFAOYSA-N 0 0 202.253 2.383 10 0 BEAERN O=C(c1cc(Cl)ccn1)N1C[C@H]2CC[C@@H]1C2 ZINC000042351230 344451492 /nfs/dbraw/zinc/45/14/92/344451492.db2.gz MVKCCIKPQIUMNH-WCBMZHEXSA-N 0 0 236.702 2.360 10 0 BEAERN O=C(c1ccccc1F)N1C[C@@H]2CC[C@H]1C2 ZINC000042351190 344451609 /nfs/dbraw/zinc/45/16/09/344451609.db2.gz FHTVZUJIIKNIAA-ZJUUUORDSA-N 0 0 219.259 2.450 10 0 BEAERN COc1cnc2c(Cl)ncc(F)c2c1 ZINC000217081038 344478150 /nfs/dbraw/zinc/47/81/50/344478150.db2.gz YQWSMECZZTZGLH-UHFFFAOYSA-N 0 0 212.611 2.431 10 0 BEAERN COC(=O)CC(C)(C)CC(=O)N[C@@H](C)C(C)C ZINC000119795178 344481698 /nfs/dbraw/zinc/48/16/98/344481698.db2.gz FOBHGYJLHBRQMU-JTQLQIEISA-N 0 0 243.347 2.127 10 0 BEAERN Cc1ccc(F)c(NCC(=O)N(C)C(C)C)c1 ZINC000059167769 178676352 /nfs/dbraw/zinc/67/63/52/178676352.db2.gz CIZPLEXATRBPHL-UHFFFAOYSA-N 0 0 238.306 2.413 10 0 BEAERN Cc1ccc(F)c(N[C@H](C)C(=O)N(C)C)c1 ZINC000058798741 178676678 /nfs/dbraw/zinc/67/66/78/178676678.db2.gz VWVHXMTUEKEZFC-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN CS[C@H]1CCC[C@@H]1Nc1ncns1 ZINC000230344519 344527422 /nfs/dbraw/zinc/52/74/22/344527422.db2.gz SFFIMHFDABUPJW-BQBZGAKWSA-N 0 0 215.347 2.234 10 0 BEAERN CC(C)c1nccn1C[C@H](O)C(C)(C)C ZINC000044185244 344537619 /nfs/dbraw/zinc/53/76/19/344537619.db2.gz SMCNWUBFROXVOV-JTQLQIEISA-N 0 0 210.321 2.414 10 0 BEAERN C[C@H]1C[C@H](C)N(c2nsnc2Cl)C1 ZINC000158098333 344541782 /nfs/dbraw/zinc/54/17/82/344541782.db2.gz WKAPMKXRTMDUSK-WDSKDSINSA-N 0 0 217.725 2.426 10 0 BEAERN CC[C@](C)(CCO)Nc1cc(C2CC2)ncn1 ZINC000641443127 362421231 /nfs/dbraw/zinc/42/12/31/362421231.db2.gz UGQXFWQVHMYBAI-CYBMUJFWSA-N 0 0 235.331 2.317 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(C)c1O ZINC000396096678 344598845 /nfs/dbraw/zinc/59/88/45/344598845.db2.gz NIJYOCHNFPRZNP-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN CN(C)c1ccc(OC(F)(F)F)c(O)c1 ZINC000396124698 344609466 /nfs/dbraw/zinc/60/94/66/344609466.db2.gz DKXFBKDJOLPHIB-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C)cc1C#N ZINC000396133779 344612226 /nfs/dbraw/zinc/61/22/26/344612226.db2.gz AXLBWUIWIMSCTG-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN CCOC(=O)c1c(O)cc(C#N)cc1Cl ZINC000396142277 344616279 /nfs/dbraw/zinc/61/62/79/344616279.db2.gz IHINCXNPDAPCBX-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN COC(=O)Cc1ccc(C)c(C#N)c1Cl ZINC000396145257 344618602 /nfs/dbraw/zinc/61/86/02/344618602.db2.gz SEKIODRIILIMNM-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(F)cc(C#N)c1Cl ZINC000396143791 344617247 /nfs/dbraw/zinc/61/72/47/344617247.db2.gz BLKABCSEBKQZLF-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(C)c1C#N ZINC000396144730 344617860 /nfs/dbraw/zinc/61/78/60/344617860.db2.gz PZEUUKLNLHHAGJ-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN N#Cc1cc(C=O)cc(OC(F)(F)F)c1 ZINC000396098087 344599639 /nfs/dbraw/zinc/59/96/39/344599639.db2.gz NCRPFADTSQXXNH-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN OCc1c(OC(F)F)cncc1C(F)(F)F ZINC000396091071 344599764 /nfs/dbraw/zinc/59/97/64/344599764.db2.gz BWHCVEWYGBQQQA-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1c(C(F)(F)F)ccnc1OC(F)F ZINC000396101555 344602203 /nfs/dbraw/zinc/60/22/03/344602203.db2.gz VHACXWXIBDQJBY-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN O=Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000396100571 344602392 /nfs/dbraw/zinc/60/23/92/344602392.db2.gz SVJJLLDIIJZTKW-UHFFFAOYSA-N 0 0 235.117 2.306 10 0 BEAERN COc1c(F)cc(N)cc1OC(F)(F)F ZINC000396105942 344603320 /nfs/dbraw/zinc/60/33/20/344603320.db2.gz PDISQOCTQZPKRD-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COC(=O)c1c(F)ccc(OC(F)F)c1F ZINC000396107311 344603389 /nfs/dbraw/zinc/60/33/89/344603389.db2.gz SESLWHWLPPHWKT-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COc1cc(F)cc(N)c1OC(F)(F)F ZINC000396106857 344603452 /nfs/dbraw/zinc/60/34/52/344603452.db2.gz RIADDNOPXPRVEZ-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)c(F)cn1 ZINC000396112361 344605771 /nfs/dbraw/zinc/60/57/71/344605771.db2.gz LTGZCAXKKOYLDB-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN COC(=O)c1c(OC(F)F)ccc(F)c1F ZINC000396115646 344606309 /nfs/dbraw/zinc/60/63/09/344606309.db2.gz IIFNQIMNVCPJCZ-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COC(=O)c1ccc(F)c(C(F)(F)F)n1 ZINC000396115211 344606544 /nfs/dbraw/zinc/60/65/44/344606544.db2.gz QSRCYLOQNLYEBE-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1ccc(C)c([N+](=O)[O-])c1F ZINC000396119013 344607972 /nfs/dbraw/zinc/60/79/72/344607972.db2.gz OACIMSYPOXZQMY-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOC(=O)Cc1cc(C#N)cc(Cl)c1F ZINC000396145437 344618701 /nfs/dbraw/zinc/61/87/01/344618701.db2.gz HJXZMJPJGVVOBH-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN Cc1nc(CN(C)[C@@H]2CCCC2=O)cs1 ZINC000050142835 344649961 /nfs/dbraw/zinc/64/99/61/344649961.db2.gz DPUQBGBIFJDBDJ-SNVBAGLBSA-N 0 0 224.329 2.005 10 0 BEAERN C[C@@H](Cc1nn(C)c(=S)[nH]1)C(C)(C)C ZINC000127791330 344652719 /nfs/dbraw/zinc/65/27/19/344652719.db2.gz MFDOSAOOLGVVRW-ZETCQYMHSA-N 0 0 213.350 2.329 10 0 BEAERN COCCSc1ccc(CC(=O)OC)cc1 ZINC000113242955 344657933 /nfs/dbraw/zinc/65/79/33/344657933.db2.gz XNJJPBQHEWQEEO-UHFFFAOYSA-N 0 0 240.324 2.141 10 0 BEAERN CNC(=S)N[C@H]1CCCCC[C@@H]1C ZINC000127838183 344661570 /nfs/dbraw/zinc/66/15/70/344661570.db2.gz KRBPYBQASKCCCA-IUCAKERBSA-N 0 0 200.351 2.049 10 0 BEAERN Nc1cc(Cl)c(OC2COC2)c(Cl)c1 ZINC000221125715 344681695 /nfs/dbraw/zinc/68/16/95/344681695.db2.gz FVPBQLYDWUSMKW-UHFFFAOYSA-N 0 0 234.082 2.353 10 0 BEAERN COc1ccc(CCNc2cccnn2)cc1 ZINC000052815873 344669799 /nfs/dbraw/zinc/66/97/99/344669799.db2.gz WYJIFEOVHKLASR-UHFFFAOYSA-N 0 0 229.283 2.140 10 0 BEAERN COC(=O)c1cc(C#N)cc(OC)c1Cl ZINC000396145546 344619131 /nfs/dbraw/zinc/61/91/31/344619131.db2.gz IAKSQXKBHHSLAR-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)Cc1c(F)cc(Cl)cc1C#N ZINC000396145993 344619561 /nfs/dbraw/zinc/61/95/61/344619561.db2.gz ITEJYHBSELMYLM-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)Cc1cc(F)c(F)c(F)c1Cl ZINC000396146355 344619680 /nfs/dbraw/zinc/61/96/80/344619680.db2.gz WBEHQUQASJQPNM-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN COC(=O)c1c(C)c(Cl)ccc1[N+](=O)[O-] ZINC000396147129 344620521 /nfs/dbraw/zinc/62/05/21/344620521.db2.gz KWUNTFVZRGYQPQ-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN Oc1ccccc1S[C@H]1CCC[C@@H]1O ZINC000050047045 344620940 /nfs/dbraw/zinc/62/09/40/344620940.db2.gz HTHCISJGMLZINI-ONGXEEELSA-N 0 0 210.298 2.398 10 0 BEAERN COC(=O)Cc1cc(F)c(C#N)c(Cl)c1 ZINC000396148239 344621503 /nfs/dbraw/zinc/62/15/03/344621503.db2.gz MUEYKHSHTRFNGD-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCc1cc(CC(=O)OC)cc(C#N)c1C ZINC000396148985 344622593 /nfs/dbraw/zinc/62/25/93/344622593.db2.gz NXKIDPXPJSUSBK-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1cc(F)cc(C(=O)OC)c1C#N ZINC000396150244 344623183 /nfs/dbraw/zinc/62/31/83/344623183.db2.gz ATYNTVLQLVBVFZ-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)Cc1cc(Cl)c(F)c(F)c1F ZINC000396150220 344623225 /nfs/dbraw/zinc/62/32/25/344623225.db2.gz ASWAVQUXFGJEET-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN COC(=O)Cc1ccc(F)c(Cl)c1C#N ZINC000396150549 344623385 /nfs/dbraw/zinc/62/33/85/344623385.db2.gz PWNHPYKRPJCLNQ-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCc1c(C)ccc(C(=O)OC)c1C#N ZINC000396152209 344624774 /nfs/dbraw/zinc/62/47/74/344624774.db2.gz DBDKZODOLSEYBN-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCc1ccc(CC)c(C(=O)OC)c1C#N ZINC000396151968 344624836 /nfs/dbraw/zinc/62/48/36/344624836.db2.gz MDYGSHDFPJLEAE-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)Cc1c(Cl)ccc(O)c1C#N ZINC000396157876 344628956 /nfs/dbraw/zinc/62/89/56/344628956.db2.gz ZPJWORIVDIMUJE-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN CCOC(=O)c1cc(F)c(C#N)c(CC)c1 ZINC000396169208 344630425 /nfs/dbraw/zinc/63/04/25/344630425.db2.gz YEADROVFOKTYMF-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1cc(F)c(CC)cc1C#N ZINC000396169296 344630481 /nfs/dbraw/zinc/63/04/81/344630481.db2.gz YOGOFJODWVUOKO-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCc1c(C#N)cc(C)cc1C(=O)OC ZINC000396168667 344630488 /nfs/dbraw/zinc/63/04/88/344630488.db2.gz XQUQSXMFBVCEOR-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN COC(=O)c1c(Cl)nccc1OC(F)F ZINC000396170313 344630841 /nfs/dbraw/zinc/63/08/41/344630841.db2.gz VBKGKTNYJJWZDI-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1c(C)ccc(C#N)c1OC ZINC000396158804 344632084 /nfs/dbraw/zinc/63/20/84/344632084.db2.gz VZBPYNVCKGFQKB-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CC(=O)Cc1nc(Cc2ccccc2C)no1 ZINC000104153322 187292373 /nfs/dbraw/zinc/29/23/73/187292373.db2.gz QDJPCFDTRWKDHH-UHFFFAOYSA-N 0 0 230.267 2.100 10 0 BEAERN CCc1cc(F)c(C(=O)OC)c(C#N)c1 ZINC000396162453 344634574 /nfs/dbraw/zinc/63/45/74/344634574.db2.gz OSWFWRFMZKJSFL-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(C#N)c1C=O ZINC000396166117 344636392 /nfs/dbraw/zinc/63/63/92/344636392.db2.gz UOSXUXBLKMHERQ-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)c1cc(F)cc(C(F)F)c1C#N ZINC000396167898 344636650 /nfs/dbraw/zinc/63/66/50/344636650.db2.gz WHMXYZFBEINQAB-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN Cn1nc(-c2ccc(Cl)s2)[nH]c1=S ZINC000127751956 344639770 /nfs/dbraw/zinc/63/97/70/344639770.db2.gz QYCQEZTUCVCJEZ-UHFFFAOYSA-N 0 0 231.733 2.486 10 0 BEAERN Cc1nc(C)c(-c2nc(Br)no2)o1 ZINC000158561698 344679524 /nfs/dbraw/zinc/67/95/24/344679524.db2.gz UYKAEDADFUPXJO-UHFFFAOYSA-N 0 0 244.048 2.104 10 0 BEAERN O=C(CN1CCOC1=O)c1ccc(Cl)s1 ZINC000050129568 344645267 /nfs/dbraw/zinc/64/52/67/344645267.db2.gz JUOJCAADUYLUBO-UHFFFAOYSA-N 0 0 245.687 2.036 10 0 BEAERN Cc1csc(N[C@@H](C)[C@H]2CCOC2)n1 ZINC000158689026 344719987 /nfs/dbraw/zinc/71/99/87/344719987.db2.gz TWFMZZBTJKXVGF-IUCAKERBSA-N 0 0 212.318 2.288 10 0 BEAERN COC(=O)C=C(C)Nc1ccccc1OC ZINC000212300859 344729957 /nfs/dbraw/zinc/72/99/57/344729957.db2.gz VFMMEDAYAKHTOM-HJWRWDBZSA-N 0 0 221.256 2.184 10 0 BEAERN CCC[C@H](O)COc1cccc(OC)c1 ZINC000050193860 344731073 /nfs/dbraw/zinc/73/10/73/344731073.db2.gz ZVRCFWSHRJUSKS-JTQLQIEISA-N 0 0 210.273 2.235 10 0 BEAERN C[C@H]1CCCN(c2ncc(C=O)s2)C1 ZINC000054861532 344733588 /nfs/dbraw/zinc/73/35/88/344733588.db2.gz QTAHGQWDTRMOIC-QMMMGPOBSA-N 0 0 210.302 2.192 10 0 BEAERN Cc1ccc(N(C)c2ncc(N)cn2)cc1 ZINC000050003031 178702224 /nfs/dbraw/zinc/70/22/24/178702224.db2.gz NCFDGLOYJQIGRI-UHFFFAOYSA-N 0 0 214.272 2.135 10 0 BEAERN Cc1ccncc1[C@H]1NC[C@@H](C)CS1 ZINC000135523760 344742173 /nfs/dbraw/zinc/74/21/73/344742173.db2.gz DMIJTWBGLWNXTE-KCJUWKMLSA-N 0 0 208.330 2.361 10 0 BEAERN CN[C@H](c1cnccc1C)C(F)(F)F ZINC000135537845 344744806 /nfs/dbraw/zinc/74/48/06/344744806.db2.gz DOYJMAPTTPQMKH-MRVPVSSYSA-N 0 0 204.195 2.213 10 0 BEAERN C[C@]1([C@@H](O)c2cccnc2)CCCS1 ZINC000158616904 344698334 /nfs/dbraw/zinc/69/83/34/344698334.db2.gz URDPBYRRVDKPTA-WDEREUQCSA-N 0 0 209.314 2.401 10 0 BEAERN COC(=O)Cc1cc(C)ccc1Br ZINC000221198151 344699437 /nfs/dbraw/zinc/69/94/37/344699437.db2.gz MYJWYBQGPAQJEV-UHFFFAOYSA-N 0 0 243.100 2.473 10 0 BEAERN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(N)=S ZINC000221216231 344703814 /nfs/dbraw/zinc/70/38/14/344703814.db2.gz LUNIMLRNWIBNTC-HLTSFMKQSA-N 0 0 201.335 2.256 10 0 BEAERN COc1cccc(C(=O)C(F)F)c1F ZINC000158658910 344709989 /nfs/dbraw/zinc/70/99/89/344709989.db2.gz FPILUKQBBHOLSX-UHFFFAOYSA-N 0 0 204.147 2.282 10 0 BEAERN COCCc1cc(C)c(C)c(C(=O)OC)c1 ZINC000115612405 344712846 /nfs/dbraw/zinc/71/28/46/344712846.db2.gz JDVWUIWLMSQUSW-UHFFFAOYSA-N 0 0 222.284 2.279 10 0 BEAERN Cc1csc(CC(=O)C(F)(F)Cl)n1 ZINC000158677896 344716682 /nfs/dbraw/zinc/71/66/82/344716682.db2.gz DSBIIMSZNQRZOC-UHFFFAOYSA-N 0 0 225.647 2.395 10 0 BEAERN Cc1ccc(N)cc1NC(=O)C(F)(F)F ZINC000020344910 178707729 /nfs/dbraw/zinc/70/77/29/178707729.db2.gz DNQOMCHCVWMUJF-UHFFFAOYSA-N 0 0 218.178 2.078 10 0 BEAERN CS[C@H]1CCC[C@H]1N1C(=S)N=NC1C ZINC000235065137 344760254 /nfs/dbraw/zinc/76/02/54/344760254.db2.gz IBWLMPCGNLCLEG-SFYZADRCSA-N 0 0 229.374 2.332 10 0 BEAERN Cc1ccc(N2C(=O)CC(C)(C)CC2=O)c(N)c1 ZINC000061824450 178710910 /nfs/dbraw/zinc/71/09/10/178710910.db2.gz FLFHDRGQZUJVFX-UHFFFAOYSA-N 0 0 246.310 2.257 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCc2c1cccc2O ZINC000074712813 344753782 /nfs/dbraw/zinc/75/37/82/344753782.db2.gz YMHXSPHCWQLJGK-FXAINCCUSA-N 0 0 246.310 2.087 10 0 BEAERN Cc1ccc(NC(=O)C(F)(F)F)c(N)c1 ZINC000020344903 178720056 /nfs/dbraw/zinc/72/00/56/178720056.db2.gz UIXIIAXULKCRRY-UHFFFAOYSA-N 0 0 218.178 2.078 10 0 BEAERN C[C@@H]1CCC[C@]1(CC(=O)OC(C)(C)C)ON ZINC000675052672 537859634 /nfs/dbraw/zinc/85/96/34/537859634.db2.gz CLAYASCEMNOPJN-BXKDBHETSA-N 0 0 229.320 2.167 10 0 BEAERN CCCc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000309487943 347074476 /nfs/dbraw/zinc/07/44/76/347074476.db2.gz WBKWNAZSOSEAQY-UONOGXRCSA-N 0 0 219.328 2.110 10 0 BEAERN CS[C@@H]1CCC[C@H]1Nc1nncs1 ZINC000235100617 344787686 /nfs/dbraw/zinc/78/76/86/344787686.db2.gz OJTHHXBQELWJNC-RNFRBKRXSA-N 0 0 215.347 2.234 10 0 BEAERN CN(C)C(=O)n1ccc(-c2ccccc2)n1 ZINC000118243063 344788458 /nfs/dbraw/zinc/78/84/58/344788458.db2.gz NPAIMSVMAMPZBB-UHFFFAOYSA-N 0 0 215.256 2.080 10 0 BEAERN Nc1ccc(=O)n(CCC2CCCC2)c1 ZINC000300806371 537861663 /nfs/dbraw/zinc/86/16/63/537861663.db2.gz WLPTXQCVIXRBDI-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN Cc1c(Cl)ncnc1NC(C)(C)[C@H](C)O ZINC000128457988 347081199 /nfs/dbraw/zinc/08/11/99/347081199.db2.gz MLLXDINIKPLVFV-ZETCQYMHSA-N 0 0 229.711 2.010 10 0 BEAERN O=C(NCc1cscn1)c1ccccc1 ZINC000050408020 344818332 /nfs/dbraw/zinc/81/83/32/344818332.db2.gz GZJNYFNYYDOQAT-UHFFFAOYSA-N 0 0 218.281 2.073 10 0 BEAERN CSc1ccc(NC[C@H](C)C[C@@H](C)O)nn1 ZINC000077228460 344819245 /nfs/dbraw/zinc/81/92/45/344819245.db2.gz LOKLQLPUUHGBGH-RKDXNWHRSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@]1(C(=O)[O-])CCCC[C@H]1[NH+]1CCCC1 ZINC000135659532 344839476 /nfs/dbraw/zinc/83/94/76/344839476.db2.gz JIRBGWGRSXUUAF-PWSUYJOCSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1nc(CN2CCO[C@@H]3CCCC[C@H]32)[nH]c1C ZINC000628146039 344825054 /nfs/dbraw/zinc/82/50/54/344825054.db2.gz CIQJIEHKWDRHMB-CHWSQXEVSA-N 0 0 249.358 2.170 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000112858832 187293711 /nfs/dbraw/zinc/29/37/11/187293711.db2.gz RZYJGZLDIZECSD-JSGCOSHPSA-N 0 0 248.370 2.450 10 0 BEAERN C[C@H]1CCC(O)=C(C(=O)C(C)(F)F)C1 ZINC000300853858 537865973 /nfs/dbraw/zinc/86/59/73/537865973.db2.gz HUDGUOVIZKVYDM-BQBZGAKWSA-N 0 0 204.216 2.216 10 0 BEAERN CC(C)Cn1cc(N)c(-c2ccco2)n1 ZINC000135694880 344853606 /nfs/dbraw/zinc/85/36/06/344853606.db2.gz DFYUYBKHFZTQIQ-UHFFFAOYSA-N 0 0 205.261 2.381 10 0 BEAERN Cc1cnc(CCNc2nnc(C)s2)s1 ZINC000078373050 344856096 /nfs/dbraw/zinc/85/60/96/344856096.db2.gz VTVOZOXZEKYWNE-UHFFFAOYSA-N 0 0 240.357 2.266 10 0 BEAERN C/C=C/Cn1cnc(Cl)c(Cl)c1=O ZINC000166290832 344842721 /nfs/dbraw/zinc/84/27/21/344842721.db2.gz CVZGOJCTXJDWSL-NSCUHMNNSA-N 0 0 219.071 2.126 10 0 BEAERN CCSc1nc(Cl)nc(Cl)n1 ZINC000002019481 344845818 /nfs/dbraw/zinc/84/58/18/344845818.db2.gz ZCZJJJXYLSCYII-UHFFFAOYSA-N 0 0 210.089 2.290 10 0 BEAERN CSc1c(N)cncc1Br ZINC000235294819 344875602 /nfs/dbraw/zinc/87/56/02/344875602.db2.gz DHGXIXYVNFPKGQ-UHFFFAOYSA-N 0 0 219.107 2.148 10 0 BEAERN CC(C)N(C)C(=O)N1CCc2ccc(O)cc2C1 ZINC000336053591 534974439 /nfs/dbraw/zinc/97/44/39/534974439.db2.gz QJNSMQWOBSNQAA-UHFFFAOYSA-N 0 0 248.326 2.211 10 0 BEAERN O=c1cc(Cl)nc(C2CC2)n1CC(F)F ZINC000166371620 344876338 /nfs/dbraw/zinc/87/63/38/344876338.db2.gz NXFGJSQZGSDIMP-UHFFFAOYSA-N 0 0 234.633 2.039 10 0 BEAERN CSc1ccc(NCCC2CC2)nn1 ZINC000078499312 344877251 /nfs/dbraw/zinc/87/72/51/344877251.db2.gz LIJISPVUGHMRHW-UHFFFAOYSA-N 0 0 209.318 2.411 10 0 BEAERN C[C@@H]1C[C@H]1c1nc2c(c(=S)[nH]1)CCC2 ZINC000235302893 344879494 /nfs/dbraw/zinc/87/94/94/344879494.db2.gz DHIRYKRDSGJIMJ-HTRCEHHLSA-N 0 0 206.314 2.377 10 0 BEAERN CCCn1c(=O)cc(Cl)nc1C1CC1 ZINC000166374614 344880431 /nfs/dbraw/zinc/88/04/31/344880431.db2.gz PPMUCGMJXNDBDD-UHFFFAOYSA-N 0 0 212.680 2.184 10 0 BEAERN Cc1n[nH]c(C)c1N[C@H]1CCS[C@H]1C ZINC000235312300 344882049 /nfs/dbraw/zinc/88/20/49/344882049.db2.gz LHAFJUYXYOFHSV-IUCAKERBSA-N 0 0 211.334 2.332 10 0 BEAERN Nc1ncc(C(F)(F)F)nc1C(F)(F)F ZINC000238678720 344887119 /nfs/dbraw/zinc/88/71/19/344887119.db2.gz HWPILMLGOLUPOC-UHFFFAOYSA-N 0 0 231.099 2.096 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@]1([NH2+]C1CC1)C(=O)[O-] ZINC000235338454 344887450 /nfs/dbraw/zinc/88/74/50/344887450.db2.gz FFZODYAVFGXHOU-PRHODGIISA-N 0 0 211.305 2.018 10 0 BEAERN Cc1c[nH]c(=S)n1[C@@H]1CCO[C@H](C)C1 ZINC000235370039 344894063 /nfs/dbraw/zinc/89/40/63/344894063.db2.gz QJLQZXAINMVEBR-RKDXNWHRSA-N 0 0 212.318 2.220 10 0 BEAERN CC(C)Nc1cc(CO)c(Cl)cn1 ZINC000166502013 344912524 /nfs/dbraw/zinc/91/25/24/344912524.db2.gz OUBZOSNBPYQBOX-UHFFFAOYSA-N 0 0 200.669 2.048 10 0 BEAERN C[C@H]1S[C@@H]([C@@H](O)C2CC2)CS[C@H]1C ZINC000235409794 344904476 /nfs/dbraw/zinc/90/44/76/344904476.db2.gz CTLZWFZXOYZLBG-WDQPUEAGSA-N 0 0 218.387 2.383 10 0 BEAERN CC(=O)NCc1cc(C)nc2ccccc12 ZINC000047106826 187294241 /nfs/dbraw/zinc/29/42/41/187294241.db2.gz KNVUEJAVRSOBJG-UHFFFAOYSA-N 0 0 214.268 2.179 10 0 BEAERN Nc1cccn(Cc2ccc(Cl)s2)c1=O ZINC000050445584 187294931 /nfs/dbraw/zinc/29/49/31/187294931.db2.gz QAEAMQPXQILGFH-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN CC(C)(C)c1nc(N)c2c(n1)CCCC2 ZINC000050846782 187295387 /nfs/dbraw/zinc/29/53/87/187295387.db2.gz WHPIKIMJHPZOKV-UHFFFAOYSA-N 0 0 205.305 2.235 10 0 BEAERN C[C@H](O)C(=O)c1ccc(Cl)cc1F ZINC000235544007 344937272 /nfs/dbraw/zinc/93/72/72/344937272.db2.gz UNGOOFOZWRBJGH-YFKPBYRVSA-N 0 0 202.612 2.043 10 0 BEAERN CCOC(=O)c1nc(C2(C)CC2)ncc1C ZINC000301004974 537875235 /nfs/dbraw/zinc/87/52/35/537875235.db2.gz YQWKOECSHICSBS-UHFFFAOYSA-N 0 0 220.272 2.013 10 0 BEAERN C[C@H](O)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000235542126 344937406 /nfs/dbraw/zinc/93/74/06/344937406.db2.gz RKOJOEAGVIXUHG-LURJTMIESA-N 0 0 233.094 2.486 10 0 BEAERN C[C@H](Cn1cc[nH]c1=S)c1nccs1 ZINC000235462262 344920173 /nfs/dbraw/zinc/92/01/73/344920173.db2.gz IPTUOPVJHYLGFT-SSDOTTSWSA-N 0 0 225.342 2.432 10 0 BEAERN Brc1ccn(-c2nccs2)n1 ZINC000238033963 344952292 /nfs/dbraw/zinc/95/22/92/344952292.db2.gz FIDYKEPJHRPCGA-UHFFFAOYSA-N 0 0 230.090 2.091 10 0 BEAERN Cc1ccc(S[C@@H](C)[C@H](C)O)cc1N ZINC000235601907 344953114 /nfs/dbraw/zinc/95/31/14/344953114.db2.gz CPZIASKOJFCEFJ-IUCAKERBSA-N 0 0 211.330 2.439 10 0 BEAERN COc1ccc(/C=C2/N=C(C)OC2=O)c(F)c1 ZINC000114733497 344959435 /nfs/dbraw/zinc/95/94/35/344959435.db2.gz ZBSHDIMISXSNFO-VZUCSPMQSA-N 0 0 235.214 2.150 10 0 BEAERN C[C@H]1CCC[N@H+](C2CCCC2)[C@@H]1C(=O)[O-] ZINC000235643563 344966720 /nfs/dbraw/zinc/96/67/20/344966720.db2.gz HLCSYCPBHPNBHN-ONGXEEELSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1c[nH]c(=S)n1[C@@H]1CCO[C@@H](C)C1 ZINC000235666511 344974397 /nfs/dbraw/zinc/97/43/97/344974397.db2.gz QJLQZXAINMVEBR-DTWKUNHWSA-N 0 0 212.318 2.220 10 0 BEAERN C[C@H]1CC(C)(C)C[C@@]1(CC(=O)[O-])[NH+](C)C ZINC000235552885 344939714 /nfs/dbraw/zinc/93/97/14/344939714.db2.gz NHNCBGMPNNPCFS-JOYOIKCWSA-N 0 0 213.321 2.218 10 0 BEAERN CCOC(=O)c1csc(=O)n1C[C@H](C)CC ZINC000128083085 187297294 /nfs/dbraw/zinc/29/72/94/187297294.db2.gz PGBBBIAZRIIKMB-MRVPVSSYSA-N 0 0 243.328 2.133 10 0 BEAERN CCOC(=O)c1cncn1Cc1ccccc1 ZINC000044200965 344981852 /nfs/dbraw/zinc/98/18/52/344981852.db2.gz PJAFVSKVNASNQO-UHFFFAOYSA-N 0 0 230.267 2.108 10 0 BEAERN [NH3+][C@H](CC(=O)[O-])c1ccc(-c2ccccn2)cc1 ZINC000044216860 344983653 /nfs/dbraw/zinc/98/36/53/344983653.db2.gz DYICSBWPWIHVKR-GFCCVEGCSA-N 0 0 242.278 2.223 10 0 BEAERN CC(C)[C@H](C)N(C)C1N=NC(=S)S1 ZINC000044241491 344991208 /nfs/dbraw/zinc/99/12/08/344991208.db2.gz RNGZMLXZNDTPSP-LURJTMIESA-N 0 0 217.363 2.308 10 0 BEAERN C[C@@H](C1CC1)N(C)C1N=NC(=S)S1 ZINC000044241497 344991618 /nfs/dbraw/zinc/99/16/18/344991618.db2.gz CGALJKAXKVSEEH-YFKPBYRVSA-N 0 0 215.347 2.062 10 0 BEAERN C[C@H]1C[C@H](C)CN(C2N=NC(=S)S2)C1 ZINC000044241677 344992051 /nfs/dbraw/zinc/99/20/51/344992051.db2.gz YNHJJYQEDVNORU-BQBZGAKWSA-N 0 0 229.374 2.309 10 0 BEAERN CCOC(=O)c1cc(C)cc(F)c1F ZINC000238254528 345000408 /nfs/dbraw/zinc/00/04/08/345000408.db2.gz ALDMYMIBKBJISA-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN CCOC(=O)c1cc(F)cc(C)c1F ZINC000238257525 345002167 /nfs/dbraw/zinc/00/21/67/345002167.db2.gz GHWVXYHPOMWXFQ-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN CC(=O)c1cnc(NC(=O)CCC2CC2)s1 ZINC000135453924 187299191 /nfs/dbraw/zinc/29/91/91/187299191.db2.gz GEYGUCPQDOOIRR-UHFFFAOYSA-N 0 0 238.312 2.474 10 0 BEAERN Fc1cccc(NCC[C@@H]2CCCO2)n1 ZINC000044381768 345046401 /nfs/dbraw/zinc/04/64/01/345046401.db2.gz LRNINJMMCMXHKX-VIFPVBQESA-N 0 0 210.252 2.202 10 0 BEAERN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1O ZINC000146067138 345047266 /nfs/dbraw/zinc/04/72/66/345047266.db2.gz SZVLDQVHEROQDA-OPRDCNLKSA-N 0 0 229.320 2.061 10 0 BEAERN Cc1c(CO)cccc1OC(F)(F)F ZINC000238457128 345049599 /nfs/dbraw/zinc/04/95/99/345049599.db2.gz LTGSBFSKVPZJNX-UHFFFAOYSA-N 0 0 206.163 2.386 10 0 BEAERN CC[C@H](O)C(=O)c1c[nH]c2ccccc12 ZINC000238304245 345015443 /nfs/dbraw/zinc/01/54/43/345015443.db2.gz OHLMPIJNSZXYMW-NSHDSACASA-N 0 0 203.241 2.122 10 0 BEAERN NC(=S)c1ccc(NC2CCC2)c(F)c1 ZINC000052211786 187300165 /nfs/dbraw/zinc/30/01/65/187300165.db2.gz CCIMSYXZEJBUJU-UHFFFAOYSA-N 0 0 224.304 2.424 10 0 BEAERN COc1cc(C)cc(OC(F)(F)F)n1 ZINC000238375478 345033663 /nfs/dbraw/zinc/03/36/63/345033663.db2.gz XDSNNUNAVQYNQD-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COC(=O)Cc1c(C)cccc1Br ZINC000238381043 345036215 /nfs/dbraw/zinc/03/62/15/345036215.db2.gz QPMVRMGJBDXMKF-UHFFFAOYSA-N 0 0 243.100 2.473 10 0 BEAERN COc1cc(C)cnc1OC(F)(F)F ZINC000238383267 345036750 /nfs/dbraw/zinc/03/67/50/345036750.db2.gz KWLUXVJDSJPXMM-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COC(=O)Cc1c(F)ccc(F)c1Cl ZINC000238382219 345037106 /nfs/dbraw/zinc/03/71/06/345037106.db2.gz RUAALVVTIABGOY-UHFFFAOYSA-N 0 0 220.602 2.334 10 0 BEAERN COc1cc(C)ncc1OC(F)(F)F ZINC000238384996 345037531 /nfs/dbraw/zinc/03/75/31/345037531.db2.gz CVECCDYUVKUWIW-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000154541721 345041631 /nfs/dbraw/zinc/04/16/31/345041631.db2.gz APFXUMCXKBMZER-AAEUAGOBSA-N 0 0 249.285 2.024 10 0 BEAERN COc1cc(CO)c(Br)cc1F ZINC000146047781 345041899 /nfs/dbraw/zinc/04/18/99/345041899.db2.gz BZBHRTVLUUFJOD-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1cc(C=O)ncc1OC(F)(F)F ZINC000238465662 345053999 /nfs/dbraw/zinc/05/39/99/345053999.db2.gz MIRMWKFXURNPHK-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(CCNC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000155129710 345068468 /nfs/dbraw/zinc/06/84/68/345068468.db2.gz VNLZAZWXAPWQEM-OCCSQVGLSA-N 0 0 247.338 2.221 10 0 BEAERN Clc1ncnc2nc(Br)ccc12 ZINC000238526919 345070466 /nfs/dbraw/zinc/07/04/66/345070466.db2.gz LMRNHUSVIGVKJZ-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN O=Cc1ccc(OC(F)(F)F)nc1Cl ZINC000238533940 345071286 /nfs/dbraw/zinc/07/12/86/345071286.db2.gz VCFUBGXHPYMQPZ-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)[C@H](C)C(C)C ZINC000155333540 345078061 /nfs/dbraw/zinc/07/80/61/345078061.db2.gz BXIKVCCKOCDNFS-TUAOUCFPSA-N 0 0 227.348 2.447 10 0 BEAERN Cc1ccc(Oc2cccc(C)c2N)nn1 ZINC000041045192 178820747 /nfs/dbraw/zinc/82/07/47/178820747.db2.gz XVQYRBWGDOWJDQ-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN C[C@@H]1CC(O)=C(C(=O)C(F)(F)F)[C@@H](C)C1 ZINC000113944971 537887361 /nfs/dbraw/zinc/88/73/61/537887361.db2.gz SYQFDNMMRKJQBS-HAFWLYHUSA-N 0 0 222.206 2.369 10 0 BEAERN Cc1ccc(Oc2ncccc2N)cn1 ZINC000050211677 178821606 /nfs/dbraw/zinc/82/16/06/178821606.db2.gz LKFUYVUPYGYATH-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CCCCO[C@@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000124834060 345055051 /nfs/dbraw/zinc/05/50/51/345055051.db2.gz SQXVBBTUZOFBLD-VIFPVBQESA-N 0 0 239.319 2.116 10 0 BEAERN Cc1ccc(Oc2ncncc2CO)cc1 ZINC000020386309 178821940 /nfs/dbraw/zinc/82/19/40/178821940.db2.gz JDBDXLKTQZOTKP-UHFFFAOYSA-N 0 0 216.240 2.070 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2C)o1 ZINC000154946934 345060187 /nfs/dbraw/zinc/06/01/87/345060187.db2.gz JWXQSQZYNNWOJJ-SECBINFHSA-N 0 0 248.286 2.204 10 0 BEAERN O=Cc1cc(Br)c(Cl)cn1 ZINC000238510428 345064608 /nfs/dbraw/zinc/06/46/08/345064608.db2.gz CBTWGUQMNVUMOK-UHFFFAOYSA-N 0 0 220.453 2.310 10 0 BEAERN OCc1cccc(OC(F)F)c1Cl ZINC000238727225 345121477 /nfs/dbraw/zinc/12/14/77/345121477.db2.gz PLSFKNZYZGPKMH-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN CSCC[C@H](C)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000155588953 345089379 /nfs/dbraw/zinc/08/93/79/345089379.db2.gz MPHMKQQFHFIVIO-AXFHLTTASA-N 0 0 245.388 2.154 10 0 BEAERN Fc1ccc2c[nH]nc2c1Br ZINC000238623211 345094455 /nfs/dbraw/zinc/09/44/55/345094455.db2.gz ZFBMAPTXKUFDHS-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN N[C@@H](c1cncc(Cl)c1)C(F)(F)F ZINC000238640505 345099788 /nfs/dbraw/zinc/09/97/88/345099788.db2.gz YILNUGCOKRRONV-LURJTMIESA-N 0 0 210.586 2.297 10 0 BEAERN CCc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000156071771 345122651 /nfs/dbraw/zinc/12/26/51/345122651.db2.gz SJTUWOYEZZMJPD-BXUZGUMPSA-N 0 0 247.338 2.433 10 0 BEAERN OCc1ncc(OC(F)(F)F)cc1Cl ZINC000238665305 345105275 /nfs/dbraw/zinc/10/52/75/345105275.db2.gz VBAOKNMWTDHAJT-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Nc1c(Cl)cncc1OC(F)(F)F ZINC000238680231 345108429 /nfs/dbraw/zinc/10/84/29/345108429.db2.gz FVCILZMDFZIDEG-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Oc1cnc(OC(F)(F)F)cc1Cl ZINC000238671073 345108435 /nfs/dbraw/zinc/10/84/35/345108435.db2.gz LMXADVFAKWDSTR-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN CCC1CCC(NC(=O)c2cnccn2)CC1 ZINC000074385720 168520241 /nfs/dbraw/zinc/52/02/41/168520241.db2.gz PSZBRGVLXLMPME-UHFFFAOYSA-N 0 0 233.315 2.175 10 0 BEAERN CC(C)(C)c1cc(=O)[nH]c(-c2ccc(N)cc2)n1 ZINC000071397968 537890167 /nfs/dbraw/zinc/89/01/67/537890167.db2.gz GFFSHIWELAULSM-UHFFFAOYSA-N 0 0 243.310 2.317 10 0 BEAERN COC(=O)C1=C(O)[C@@](C)(c2ccccc2)CCC1 ZINC000167204510 345144772 /nfs/dbraw/zinc/14/47/72/345144772.db2.gz WDZBBLDSAOBYTD-SWLSCSKDSA-N 0 0 246.306 2.487 10 0 BEAERN CCOC(=O)c1ccc(C(=O)CCSC)o1 ZINC000390120254 345247714 /nfs/dbraw/zinc/24/77/14/345247714.db2.gz FGUMKJNNYXIAJZ-UHFFFAOYSA-N 0 0 242.296 2.392 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000246185228 345251620 /nfs/dbraw/zinc/25/16/20/345251620.db2.gz HGFRFFFRQHHEEE-ATRFCDNQSA-N 0 0 222.115 2.095 10 0 BEAERN Nc1cc(Cl)cnc1NCC(F)(F)F ZINC000148000963 345194074 /nfs/dbraw/zinc/19/40/74/345194074.db2.gz UGGBQLIIYLPMSL-UHFFFAOYSA-N 0 0 225.601 2.291 10 0 BEAERN CCCCO[C@@H](C)C(=O)OCc1cncs1 ZINC000129778798 345262043 /nfs/dbraw/zinc/26/20/43/345262043.db2.gz XYUBSYZUCVGZLP-VIFPVBQESA-N 0 0 243.328 2.392 10 0 BEAERN CCNc1cc(SC2COC2)ccn1 ZINC000227674847 345264233 /nfs/dbraw/zinc/26/42/33/345264233.db2.gz GAYHZXCHBDLNDK-UHFFFAOYSA-N 0 0 210.302 2.004 10 0 BEAERN CC(=O)c1c(C)nsc1NCC(F)F ZINC000148206115 345322763 /nfs/dbraw/zinc/32/27/63/345322763.db2.gz LIOLMUPSTGMZIY-UHFFFAOYSA-N 0 0 220.244 2.331 10 0 BEAERN CON[C@H]1COc2cc(Br)ccc21 ZINC000131501372 345300011 /nfs/dbraw/zinc/30/00/11/345300011.db2.gz VIPQLLVGHUDPTD-QMMMGPOBSA-N 0 0 244.088 2.034 10 0 BEAERN COC[C@H](C)CNc1cccc(CCCO)c1 ZINC000131914263 345310977 /nfs/dbraw/zinc/31/09/77/345310977.db2.gz ZMIGAAWYUZJCQN-GFCCVEGCSA-N 0 0 237.343 2.306 10 0 BEAERN CCc1onc(C)c1C(=O)N[C@@H](C)CSC ZINC000132025000 345313737 /nfs/dbraw/zinc/31/37/37/345313737.db2.gz SPNZBDYNWCZACG-ZETCQYMHSA-N 0 0 242.344 2.027 10 0 BEAERN C[C@@](O)(CO)c1cc(F)c(Cl)cc1Cl ZINC000132868112 345349979 /nfs/dbraw/zinc/34/99/79/345349979.db2.gz DMBJRJAMCVHFSD-SECBINFHSA-N 0 0 239.073 2.332 10 0 BEAERN CC(C)c1nc(-c2ccc(O)cc2)n[nH]1 ZINC000053994975 192088074 /nfs/dbraw/zinc/08/80/74/192088074.db2.gz ZRPWVCWINLJUOM-UHFFFAOYSA-N 0 0 203.245 2.301 10 0 BEAERN NC(=O)CNc1c(Cl)cc(F)cc1Cl ZINC000215579362 345412944 /nfs/dbraw/zinc/41/29/44/345412944.db2.gz HOPJCVQNPMDENF-UHFFFAOYSA-N 0 0 237.061 2.030 10 0 BEAERN Cc1cnc(Cl)nc1N[C@@H]1CCO[C@H]1C ZINC000134584571 345416034 /nfs/dbraw/zinc/41/60/34/345416034.db2.gz BMUNVKYCQZMCKC-JGVFFNPUSA-N 0 0 227.695 2.028 10 0 BEAERN O[C@H]1CSC[C@@H]1Cc1ccccc1F ZINC000134669629 345418016 /nfs/dbraw/zinc/41/80/16/345418016.db2.gz ODSQPXQNNNLBCN-ONGXEEELSA-N 0 0 212.289 2.092 10 0 BEAERN CCn1cc(N)c(-c2cccc(C)c2)n1 ZINC000135743515 345453198 /nfs/dbraw/zinc/45/31/98/345453198.db2.gz KJCKEYUKSKDNKK-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCc1cnc(NCc2cnn(C)c2C)s1 ZINC000134993467 345428708 /nfs/dbraw/zinc/42/87/08/345428708.db2.gz UROCNCRQMAXBOG-UHFFFAOYSA-N 0 0 236.344 2.360 10 0 BEAERN Cn1ccnc1Sc1ccnc(Cl)n1 ZINC000054917698 345433558 /nfs/dbraw/zinc/43/35/58/345433558.db2.gz IZROUIWGIRVLGF-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN C[C@@H](c1cscn1)n1ncc(Cl)c1N ZINC000229138033 345440710 /nfs/dbraw/zinc/44/07/10/345440710.db2.gz PMJSARHRYVAVJT-YFKPBYRVSA-N 0 0 228.708 2.185 10 0 BEAERN C[C@@H](c1ccco1)[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251248911 345491260 /nfs/dbraw/zinc/49/12/60/345491260.db2.gz IICQAJHHVLYTTL-UWVGGRQHSA-N 0 0 223.272 2.280 10 0 BEAERN CC1CC(C(=O)N(CCO)Cc2ccccc2)C1 ZINC000084926517 345529883 /nfs/dbraw/zinc/52/98/83/345529883.db2.gz WFQWRYCULIYSDP-UHFFFAOYSA-N 0 0 247.338 2.054 10 0 BEAERN CC(=O)N1C[C@H](c2ccno2)Nc2ccccc21 ZINC000616692156 345546771 /nfs/dbraw/zinc/54/67/71/345546771.db2.gz QLTKSINXIADBTC-LLVKDONJSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1ccc([C@@H]2Cc3n[nH]cc3[C@H](O)C2)cc1 ZINC000072415188 178876766 /nfs/dbraw/zinc/87/67/66/178876766.db2.gz BTBJZKPZZIPCMY-BXUZGUMPSA-N 0 0 228.295 2.482 10 0 BEAERN CC(C)c1noc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000091427101 345592150 /nfs/dbraw/zinc/59/21/50/345592150.db2.gz DYIYOROUYDBQOA-RKDXNWHRSA-N 0 0 225.292 2.172 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000091679490 345603498 /nfs/dbraw/zinc/60/34/98/345603498.db2.gz DIKBCBHNWIGUOF-CBAPKCEASA-N 0 0 244.241 2.272 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)C[C@H](O)C(C)C)o1 ZINC000155926388 178885363 /nfs/dbraw/zinc/88/53/63/178885363.db2.gz INQPYZHRKBWMNF-QWRGUYRKSA-N 0 0 239.315 2.172 10 0 BEAERN C[C@H](O)C(=O)c1ccc(Br)cc1 ZINC000013534448 362597865 /nfs/dbraw/zinc/59/78/65/362597865.db2.gz YFHWUJCHEKDIGF-LURJTMIESA-N 0 0 229.073 2.013 10 0 BEAERN Cc1cc(N[C@H]2CC[C@H](O)CC2)nc(Cl)n1 ZINC000252883245 345591153 /nfs/dbraw/zinc/59/11/53/345591153.db2.gz UVQFGCWMAPAHJM-KYZUINATSA-N 0 0 241.722 2.154 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1ccc(C2CC2)s1 ZINC000716613624 537902640 /nfs/dbraw/zinc/90/26/40/537902640.db2.gz HRFDAVPUXZYFDU-NSHDSACASA-N 0 0 220.297 2.430 10 0 BEAERN COC(=O)C(N)=Cc1ccc(Cl)cc1Cl ZINC000253533830 345679903 /nfs/dbraw/zinc/67/99/03/345679903.db2.gz VDPOAJFIGYSPGM-WTKPLQERSA-N 0 0 246.093 2.466 10 0 BEAERN CCOC(=O)c1ccc2nc(NC)ccc2c1 ZINC000167317688 345694774 /nfs/dbraw/zinc/69/47/74/345694774.db2.gz RBFSKWFUQVVBLR-UHFFFAOYSA-N 0 0 230.267 2.453 10 0 BEAERN CC(C)(CO[C@@H]1CCCCO1)c1cc(N)on1 ZINC000113828746 345755174 /nfs/dbraw/zinc/75/51/74/345755174.db2.gz DCEQCJHCPZARFG-LLVKDONJSA-N 0 0 240.303 2.078 10 0 BEAERN O=C1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000032010231 345701957 /nfs/dbraw/zinc/70/19/57/345701957.db2.gz FLMDEFWVRAYGRE-QMMMGPOBSA-N 0 0 204.225 2.252 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@@H](C)C(C)C ZINC000141373027 345703072 /nfs/dbraw/zinc/70/30/72/345703072.db2.gz KWFBUWFZTFIELO-AOOOYVTPSA-N 0 0 200.326 2.375 10 0 BEAERN CC1(C)CC[S@@](=O)c2ccc(C=O)cc21 ZINC000114357794 345756537 /nfs/dbraw/zinc/75/65/37/345756537.db2.gz RPIMZERFYVHHSJ-HNNXBMFYSA-N 0 0 222.309 2.288 10 0 BEAERN Ic1ccc2c(c1)OCC2 ZINC000116817610 537908511 /nfs/dbraw/zinc/90/85/11/537908511.db2.gz WYSWTNFLUWTOLA-UHFFFAOYSA-N 0 0 246.047 2.226 10 0 BEAERN COc1ccc(OC)c2c(NC(C)=O)ccnc12 ZINC000136159151 345807758 /nfs/dbraw/zinc/80/77/58/345807758.db2.gz UFODNMCNDHPLSB-UHFFFAOYSA-N 0 0 246.266 2.210 10 0 BEAERN C/C=C/[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000136273321 345809848 /nfs/dbraw/zinc/80/98/48/345809848.db2.gz YRCRNPMLPRGQQE-SGUJLRQBSA-N 0 0 239.340 2.238 10 0 BEAERN Nc1ccc2nc(Cn3ccnc3)ccc2c1 ZINC000136267663 345810456 /nfs/dbraw/zinc/81/04/56/345810456.db2.gz UZWQGJHWUGPRNJ-UHFFFAOYSA-N 0 0 224.267 2.062 10 0 BEAERN CC(=O)NC/C=C/c1ccc(Cl)cc1 ZINC000168115577 345811153 /nfs/dbraw/zinc/81/11/53/345811153.db2.gz SVOIXGYHXNEZOT-NSCUHMNNSA-N 0 0 209.676 2.489 10 0 BEAERN CCC(=O)Nc1ccc(C(=O)OC)c(C)c1C ZINC000136335206 345812440 /nfs/dbraw/zinc/81/24/40/345812440.db2.gz BNROZLNSHAOBEQ-UHFFFAOYSA-N 0 0 235.283 2.439 10 0 BEAERN O=C1c2ccccc2N[C@@]12CCCCO2 ZINC000136565012 345813259 /nfs/dbraw/zinc/81/32/59/345813259.db2.gz NFGJNRZHCMSBFE-GFCCVEGCSA-N 0 0 203.241 2.192 10 0 BEAERN COCCc1c[nH]c(-c2cc(CCOC)c[nH]2)c1 ZINC000034083821 345816299 /nfs/dbraw/zinc/81/62/99/345816299.db2.gz SCBBIQMNFGRRJJ-UHFFFAOYSA-N 0 0 248.326 2.388 10 0 BEAERN CC(C)=CCn1cnc2c1ncnc2Cl ZINC000034146353 345818266 /nfs/dbraw/zinc/81/82/66/345818266.db2.gz PXQYGJMUNISUFB-UHFFFAOYSA-N 0 0 222.679 2.446 10 0 BEAERN CC(=O)C1=C(O)CC[C@H](c2ccncc2)C1 ZINC000034152533 345818291 /nfs/dbraw/zinc/81/82/91/345818291.db2.gz HWHKJOULOUZDEU-NWDGAFQWSA-N 0 0 217.268 2.123 10 0 BEAERN CCC[C@@H](CO)NC(=O)OCc1ccccc1 ZINC000034218243 345819445 /nfs/dbraw/zinc/81/94/45/345819445.db2.gz ROMHIJGISWRVJP-LBPRGKRZSA-N 0 0 237.299 2.074 10 0 BEAERN Cc1c2c(c(C)c(C)c1O)O[C@](C)(CCO)C2 ZINC000034276133 345820076 /nfs/dbraw/zinc/82/00/76/345820076.db2.gz CUVSGNLPEWBVRP-CQSZACIVSA-N 0 0 236.311 2.393 10 0 BEAERN CCOC(=O)CCCNOCc1ccccc1 ZINC000034253087 345820224 /nfs/dbraw/zinc/82/02/24/345820224.db2.gz KJRDXTPQELVHEJ-UHFFFAOYSA-N 0 0 237.299 2.051 10 0 BEAERN CC(C)N(C)Cc1nc(N)ccc1Cl ZINC000061630717 345761438 /nfs/dbraw/zinc/76/14/38/345761438.db2.gz BCZOTTRIYDJYHI-UHFFFAOYSA-N 0 0 213.712 2.157 10 0 BEAERN COC(=O)C(C)(C)CC1CCOCC1 ZINC000162800057 345761669 /nfs/dbraw/zinc/76/16/69/345761669.db2.gz IIHFPXSIJVVMIY-UHFFFAOYSA-N 0 0 200.278 2.002 10 0 BEAERN CCOC(=O)[C@@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000050975466 345767890 /nfs/dbraw/zinc/76/78/90/345767890.db2.gz FTTQZBUVCLSIRI-JOYOIKCWSA-N 0 0 214.305 2.127 10 0 BEAERN CCO[C@@H]1OC(=O)[C@@H]2[C@H](C)CC[C@H]2[C@H]1C ZINC000257353695 345774500 /nfs/dbraw/zinc/77/45/00/345774500.db2.gz SQKOYPMIMBRHSW-WSOSLHDDSA-N 0 0 212.289 2.204 10 0 BEAERN CO[C@@H](CO)COc1cccc2ccccc21 ZINC000034309960 345821100 /nfs/dbraw/zinc/82/11/00/345821100.db2.gz OFFLLPCFAOFUCA-LBPRGKRZSA-N 0 0 232.279 2.226 10 0 BEAERN COC(=O)c1ncc(OC(F)(F)F)cc1C ZINC000390379397 345776556 /nfs/dbraw/zinc/77/65/56/345776556.db2.gz XBSNBFLAFGFOFW-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN c1cc2c(c(OC[C@@H]3CCCO3)c1)CCN2 ZINC000258075907 345780323 /nfs/dbraw/zinc/78/03/23/345780323.db2.gz QQTZNUSFWDZNRZ-JTQLQIEISA-N 0 0 219.284 2.212 10 0 BEAERN CC(C)(C)c1cn2c(n1)[C@@H](CO)CCC2 ZINC000258223625 345781069 /nfs/dbraw/zinc/78/10/69/345781069.db2.gz GRBZLQNJNJLCRL-SECBINFHSA-N 0 0 208.305 2.050 10 0 BEAERN Cc1ccc(-c2cn3c(n2)[C@H](O)CCC3)o1 ZINC000258609843 345785386 /nfs/dbraw/zinc/78/53/86/345785386.db2.gz VTHMCRYAHKDIJE-SNVBAGLBSA-N 0 0 218.256 2.279 10 0 BEAERN COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1 ZINC000167391331 345789843 /nfs/dbraw/zinc/78/98/43/345789843.db2.gz KSUCIPVCFUINER-JTQLQIEISA-N 0 0 249.310 2.435 10 0 BEAERN O[C@H](c1cn[nH]c1)c1ccccc1Cl ZINC000306288677 537912491 /nfs/dbraw/zinc/91/24/91/537912491.db2.gz MXVADVMMRZMHSW-SNVBAGLBSA-N 0 0 208.648 2.145 10 0 BEAERN Nc1ccc2c(c1)C(F)(F)OC2(F)F ZINC000167588250 345793714 /nfs/dbraw/zinc/79/37/14/345793714.db2.gz ISGUPLVYUDBZBS-UHFFFAOYSA-N 0 0 207.126 2.398 10 0 BEAERN CC(C)(C)OCn1cc(Br)c(N)n1 ZINC000306176558 537911703 /nfs/dbraw/zinc/91/17/03/537911703.db2.gz WJTYVUPSPHPVFJ-UHFFFAOYSA-N 0 0 248.124 2.000 10 0 BEAERN CC(C)C(=O)[C@@H](F)C(=O)Nc1ccccc1 ZINC000135966500 345798498 /nfs/dbraw/zinc/79/84/98/345798498.db2.gz IJTLRYUTHKIZPU-SNVBAGLBSA-N 0 0 223.247 2.188 10 0 BEAERN CCCC[C@H](O)C(=O)OCc1ccccc1 ZINC000034354129 345822468 /nfs/dbraw/zinc/82/24/68/345822468.db2.gz QTQPZUMJJBQJOK-LBPRGKRZSA-N 0 0 222.284 2.281 10 0 BEAERN Cc1nc(C(C)(C)O)sc1Br ZINC000139682437 345801222 /nfs/dbraw/zinc/80/12/22/345801222.db2.gz AQYIOGGVQCWODA-UHFFFAOYSA-N 0 0 236.134 2.441 10 0 BEAERN CC[C@H](C)CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000139770634 345802612 /nfs/dbraw/zinc/80/26/12/345802612.db2.gz WLCFAZPTAZLJRT-AXFHLTTASA-N 0 0 213.321 2.106 10 0 BEAERN O=Cc1ccc(O[C@@H]2CCSC2)cc1 ZINC000075134173 345843347 /nfs/dbraw/zinc/84/33/47/345843347.db2.gz DRMXBFQNLWEVIL-LLVKDONJSA-N 0 0 208.282 2.383 10 0 BEAERN O=C1c2cccc(O)c2-c2ccc(O)cc21 ZINC000137549941 345849169 /nfs/dbraw/zinc/84/91/69/345849169.db2.gz FJEHTZGPOWPYTC-UHFFFAOYSA-N 0 0 212.204 2.309 10 0 BEAERN CC1(C)CCC([N@@H+]2CC[C@H]2C(=O)[O-])CC1 ZINC000215716440 345849567 /nfs/dbraw/zinc/84/95/67/345849567.db2.gz HVHKGCYIWIZUCD-JTQLQIEISA-N 0 0 211.305 2.114 10 0 BEAERN COc1cccc([C@@H]2CCOC(=O)C2)c1 ZINC000137751951 345850112 /nfs/dbraw/zinc/85/01/12/345850112.db2.gz YNEBGDQAIXKDCF-SNVBAGLBSA-N 0 0 206.241 2.116 10 0 BEAERN NCC(F)(F)c1ncc(Cl)cc1Cl ZINC000218711216 345854149 /nfs/dbraw/zinc/85/41/49/345854149.db2.gz NJUWHAVIVHODOR-UHFFFAOYSA-N 0 0 227.041 2.439 10 0 BEAERN COCCOc1ccnc2ccc(C=O)cc21 ZINC000140758754 345857016 /nfs/dbraw/zinc/85/70/16/345857016.db2.gz GZYXSHNBPHAQJT-UHFFFAOYSA-N 0 0 231.251 2.073 10 0 BEAERN CCOC(=O)[C@H](CC)CNC(=O)OC(C)(C)C ZINC000219356200 345858493 /nfs/dbraw/zinc/85/84/93/345858493.db2.gz OTYLOIFEFRBJDL-SECBINFHSA-N 0 0 245.319 2.100 10 0 BEAERN CCOC(=O)[C@@]1(C)CCc2cc(O)ccc2O1 ZINC000142994717 345864571 /nfs/dbraw/zinc/86/45/71/345864571.db2.gz PZCBLYZNJQZLCJ-CYBMUJFWSA-N 0 0 236.267 2.039 10 0 BEAERN CCOC(=O)c1cc(OC(F)(F)F)ccc1N ZINC000141707897 345861069 /nfs/dbraw/zinc/86/10/69/345861069.db2.gz LRMYMTKSGQSULI-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN COC(=O)[C@@H](OC)C(C)(C)c1ccccc1 ZINC000141665558 345861325 /nfs/dbraw/zinc/86/13/25/345861325.db2.gz RKIRNHZJYVFSRC-LLVKDONJSA-N 0 0 222.284 2.152 10 0 BEAERN CCOC(=O)[C@H](CC(C)C)n1ccnc1 ZINC000034563306 345832207 /nfs/dbraw/zinc/83/22/07/345832207.db2.gz DJVZFXICSBDTCR-JTQLQIEISA-N 0 0 210.277 2.033 10 0 BEAERN CC[C@H](O)c1cccc([C@H](C)C(=O)OC)c1 ZINC000034583808 345833991 /nfs/dbraw/zinc/83/39/91/345833991.db2.gz CJIRFIYALFHUJR-CABZTGNLSA-N 0 0 222.284 2.407 10 0 BEAERN OC1CCN(c2cccc3ncccc32)CC1 ZINC000034453990 345833997 /nfs/dbraw/zinc/83/39/97/345833997.db2.gz LKWXBLGFADGFGT-UHFFFAOYSA-N 0 0 228.295 2.196 10 0 BEAERN C/C=C(/C[C@H](CCCC)C(=O)OC)C(=O)OC ZINC000034618462 345838491 /nfs/dbraw/zinc/83/84/91/345838491.db2.gz UPYVTRQREMLLKG-YAEJEKNGSA-N 0 0 242.315 2.475 10 0 BEAERN CC(=O)O[C@H]1CCc2ccc(Cl)nc21 ZINC000142238663 345865458 /nfs/dbraw/zinc/86/54/58/345865458.db2.gz SFTUBLQXDBFNGZ-QMMMGPOBSA-N 0 0 211.648 2.285 10 0 BEAERN CO[C@@H](c1nc(Cl)n[nH]1)C(C)(C)C ZINC000158914926 345872760 /nfs/dbraw/zinc/87/27/60/345872760.db2.gz VJXCANBPWLOVCJ-YFKPBYRVSA-N 0 0 203.673 2.192 10 0 BEAERN Cc1cccc(Cn2ccnc2C=O)c1 ZINC000051003485 345875827 /nfs/dbraw/zinc/87/58/27/345875827.db2.gz ZJAZURAOYZZLEQ-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN CC[C@H]1CCC(=O)[C@H](C[N@H+](C)[C@@H](C)COC)C1 ZINC000053928613 187311493 /nfs/dbraw/zinc/31/14/93/187311493.db2.gz JYWIEWFGPHGLGX-AVGNSLFASA-N 0 0 241.375 2.349 10 0 BEAERN CCCS(=O)(=O)c1cccc(Cl)c1N ZINC000163124751 345931515 /nfs/dbraw/zinc/93/15/15/345931515.db2.gz IUSSBQLZUUSEJS-UHFFFAOYSA-N 0 0 233.720 2.106 10 0 BEAERN O=C(c1cnn(CC2CC2)c1)C(F)(F)F ZINC000082589438 345910510 /nfs/dbraw/zinc/91/05/10/345910510.db2.gz KXDHYUMUKNQYLK-UHFFFAOYSA-N 0 0 218.178 2.038 10 0 BEAERN Cc1nc(-c2ccccc2Cl)cc(=O)[nH]1 ZINC000144053806 345915744 /nfs/dbraw/zinc/91/57/44/345915744.db2.gz JHEDRIBFPJHWMQ-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN Cc1nn(CCCC(C)(F)F)cc1N ZINC000718706657 537926146 /nfs/dbraw/zinc/92/61/46/537926146.db2.gz ZCQNHLAPXNPFRK-UHFFFAOYSA-N 0 0 203.236 2.209 10 0 BEAERN O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CC=CCN1 ZINC000628222256 345960545 /nfs/dbraw/zinc/96/05/45/345960545.db2.gz KXKOXAWITNTKCZ-HZSPNIEDSA-N 0 0 248.370 2.496 10 0 BEAERN COc1cc(O)c2c(=O)oc(C)c(C)c2c1 ZINC000006520638 290764797 /nfs/dbraw/zinc/76/47/97/290764797.db2.gz ISJYICQTJIFNAX-UHFFFAOYSA-N 0 0 220.224 2.124 10 0 biogenic,in-vitro BEAERN O=C([C@@H]1CCCc2sccc21)N1CC=CCN1 ZINC000628222984 345962765 /nfs/dbraw/zinc/96/27/65/345962765.db2.gz NGOFWAGYTYRUNQ-LLVKDONJSA-N 0 0 248.351 2.071 10 0 BEAERN CC(C)Cn1ccnc(NCC(C)(C)C)c1=O ZINC000061764285 187361455 /nfs/dbraw/zinc/36/14/55/187361455.db2.gz DAKRMXDZKOSGOW-UHFFFAOYSA-N 0 0 237.347 2.357 10 0 BEAERN O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC=CCN1 ZINC000628220666 345951910 /nfs/dbraw/zinc/95/19/10/345951910.db2.gz FRPJLKMKESATGP-HZSPNIEDSA-N 0 0 248.370 2.496 10 0 BEAERN C[C@@H]1C[C@H]1Cn1ncc2ccc(N)cc21 ZINC000722664560 537929326 /nfs/dbraw/zinc/92/93/26/537929326.db2.gz KCVRBXBIITUHIW-SCZZXKLOSA-N 0 0 201.273 2.275 10 0 BEAERN C[C@H]1CNc2cc(Br)cc(N)c2O1 ZINC000062533811 187361805 /nfs/dbraw/zinc/36/18/05/187361805.db2.gz JSCJDLYGCDVXRI-YFKPBYRVSA-N 0 0 243.104 2.224 10 0 BEAERN Cc1ccc2c3[nH]nc(N)c3cnc2c1C ZINC000072237047 178967092 /nfs/dbraw/zinc/96/70/92/178967092.db2.gz DGTWTJCWZZHBTL-UHFFFAOYSA-N 0 0 212.256 2.310 10 0 BEAERN CC1(C)C(c2ccccc2)=[N+]([O-])C(C)(C)N1O ZINC000575125159 346035527 /nfs/dbraw/zinc/03/55/27/346035527.db2.gz GJGWFENFVBFFEZ-UHFFFAOYSA-N 0 0 235.307 2.097 10 0 BEAERN CCOC(=O)c1cc2c(C)[nH]ccc-2n1 ZINC000095919926 346077248 /nfs/dbraw/zinc/07/72/48/346077248.db2.gz GCXMAIBDJWEOOB-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CC(=O)c1c(Br)nc2ccccn21 ZINC000082328926 187314721 /nfs/dbraw/zinc/31/47/21/187314721.db2.gz HNLRGZOZGPMYOA-UHFFFAOYSA-N 0 0 239.072 2.299 10 0 BEAERN Brc1cscc1C[C@@H]1CO1 ZINC000148383624 346084325 /nfs/dbraw/zinc/08/43/25/346084325.db2.gz MOTNSZDDNPQEFC-ZCFIWIBFSA-N 0 0 219.103 2.452 10 0 BEAERN Cc1ccc2nc(-c3cc(N)n[nH]3)oc2c1 ZINC000070647442 178972364 /nfs/dbraw/zinc/97/23/64/178972364.db2.gz FWOMIRPNHNOWTH-UHFFFAOYSA-N 0 0 214.228 2.109 10 0 BEAERN Brc1ccsc1C[C@@H]1CO1 ZINC000148365885 346062238 /nfs/dbraw/zinc/06/22/38/346062238.db2.gz FNGPPAZPKNHOBQ-RXMQYKEDSA-N 0 0 219.103 2.452 10 0 BEAERN COC(=O)c1ccc(Cl)c2nc(N)sc21 ZINC000096321306 346112798 /nfs/dbraw/zinc/11/27/98/346112798.db2.gz NEEZRUOQFQXCQB-UHFFFAOYSA-N 0 0 242.687 2.319 10 0 BEAERN Cc1cc2c(nc(N)cc2Br)[nH]1 ZINC000096321088 346112889 /nfs/dbraw/zinc/11/28/89/346112889.db2.gz IYRULQPWUDKOQR-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)C[C@@H](C)CC[C@@H]1C ZINC000669371847 537948241 /nfs/dbraw/zinc/94/82/41/537948241.db2.gz BSMCAZTXNOAYCM-KQXIARHKSA-N 0 0 226.316 2.391 10 0 BEAERN CO[C@H](C)[C@H]1[C@H](C)C(=O)NC12CCCCC2 ZINC000685958261 537943540 /nfs/dbraw/zinc/94/35/40/537943540.db2.gz BUIDVBLSUOOWQY-HBNTYKKESA-N 0 0 225.332 2.106 10 0 BEAERN Clc1cnc2c(c1)NCC1(CCC1)N2 ZINC000149623040 346133484 /nfs/dbraw/zinc/13/34/84/346133484.db2.gz BSADWYXNXAPULB-UHFFFAOYSA-N 0 0 209.680 2.495 10 0 BEAERN CCCC[C@H](c1ccccc1)S(=O)(=O)NC ZINC000669375429 537953903 /nfs/dbraw/zinc/95/39/03/537953903.db2.gz KEFKGXDZDBJJLM-GFCCVEGCSA-N 0 0 241.356 2.467 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CCC[C@@H](C)C1 ZINC000669372163 537949124 /nfs/dbraw/zinc/94/91/24/537949124.db2.gz KFHWVECTMTXCTD-CKYFFXLPSA-N 0 0 212.289 2.145 10 0 BEAERN CCC[C@@H]1CCC[C@@H](S(=O)(=O)NC)CC1 ZINC000669375602 537954571 /nfs/dbraw/zinc/95/45/71/537954571.db2.gz OMDGZYPVLSIHNU-GHMZBOCLSA-N 0 0 233.377 2.285 10 0 BEAERN Cc1ncc(-c2nc(Cl)no2)s1 ZINC000235962062 346176178 /nfs/dbraw/zinc/17/61/78/346176178.db2.gz MKVTVONLZIDAHG-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CNS(=O)(=O)[C@H](C)c1cc(C)c(C)cc1C ZINC000669375195 537952957 /nfs/dbraw/zinc/95/29/57/537952957.db2.gz FYEKJLSJJAYYRK-LLVKDONJSA-N 0 0 241.356 2.222 10 0 BEAERN O=[S@](c1cccc(F)c1)C(F)(F)F ZINC000034109396 346200010 /nfs/dbraw/zinc/20/00/10/346200010.db2.gz FWTZQTCQDIWHLZ-ZDUSSCGKSA-N 0 0 212.167 2.453 10 0 BEAERN Fc1cnccc1C1N=NC(=S)S1 ZINC000236159651 346200669 /nfs/dbraw/zinc/20/06/69/346200669.db2.gz RHWCDLTZDFENLN-UHFFFAOYSA-N 0 0 213.262 2.028 10 0 BEAERN Cc1onc2c1c(-c1cccc(C)c1)n[nH]c2=O ZINC000049453858 178995898 /nfs/dbraw/zinc/99/58/98/178995898.db2.gz XTFITUUZEITXSV-UHFFFAOYSA-N 0 0 241.250 2.195 10 0 BEAERN Clc1nsnc1N[C@@H]1CCO[C@H]1C1CC1 ZINC000236034902 346185286 /nfs/dbraw/zinc/18/52/86/346185286.db2.gz OVJYVVJMKGUAOC-RQJHMYQMSA-N 0 0 245.735 2.171 10 0 BEAERN CSc1ncc(N)c(C)c1Br ZINC000167048202 346185908 /nfs/dbraw/zinc/18/59/08/346185908.db2.gz HGWBYQVGHDOCGU-UHFFFAOYSA-N 0 0 233.134 2.457 10 0 BEAERN O=C(CC1CC1)Nc1ccnc(Cl)c1 ZINC000236043374 346186603 /nfs/dbraw/zinc/18/66/03/346186603.db2.gz VHKBOUNUGPYQMQ-UHFFFAOYSA-N 0 0 210.664 2.474 10 0 BEAERN C=CS(=O)(=O)c1ccc(Br)cc1 ZINC000034070710 346189196 /nfs/dbraw/zinc/18/91/96/346189196.db2.gz RZLQRYIBHNAGEY-UHFFFAOYSA-N 0 0 247.113 2.366 10 0 BEAERN CCNC(=S)N1CC[C@H]2CCCC[C@@H]21 ZINC000136341024 346194542 /nfs/dbraw/zinc/19/45/42/346194542.db2.gz JYJCCDXYMOUHSR-ZJUUUORDSA-N 0 0 212.362 2.145 10 0 BEAERN Cc1cccc(C(=O)N(C)C(C)C)c1N ZINC000019261802 179003848 /nfs/dbraw/zinc/00/38/48/179003848.db2.gz XPMCSTTYWKQQQZ-UHFFFAOYSA-N 0 0 206.289 2.058 10 0 BEAERN COC(=O)c1ccc(C)c(N)c1Br ZINC000034238467 346231582 /nfs/dbraw/zinc/23/15/82/346231582.db2.gz YLKYUQIJIVDUAP-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CC[C@@H](CC1CCCCC1)S(N)(=O)=O ZINC000669375814 537958259 /nfs/dbraw/zinc/95/82/59/537958259.db2.gz VQGIHSQYEKJVES-JTQLQIEISA-N 0 0 219.350 2.024 10 0 BEAERN CO[C@@H](C)Cn1cc2c(c1)C(=O)CCC2 ZINC000167355119 346239412 /nfs/dbraw/zinc/23/94/12/346239412.db2.gz GWNVKFLDQAGVGF-VIFPVBQESA-N 0 0 207.273 2.042 10 0 BEAERN Cc1cccc(C(=O)N2CC[C@@H](C)C2)c1N ZINC000040716637 179011704 /nfs/dbraw/zinc/01/17/04/179011704.db2.gz XGYMIRBPFMYYIF-SECBINFHSA-N 0 0 218.300 2.059 10 0 BEAERN O[C@H](c1scnc1Br)C1CC1 ZINC000236524533 346246806 /nfs/dbraw/zinc/24/68/06/346246806.db2.gz NPPNPZMRVYUQLK-YFKPBYRVSA-N 0 0 234.118 2.349 10 0 BEAERN OCc1ccc(-n2ccnc2)cc1Cl ZINC000236518365 346247351 /nfs/dbraw/zinc/24/73/51/346247351.db2.gz LVPPYUHSGBSFHZ-UHFFFAOYSA-N 0 0 208.648 2.018 10 0 BEAERN S=c1[nH]c(C2CC2)ncc1Br ZINC000236565753 346251289 /nfs/dbraw/zinc/25/12/89/346251289.db2.gz URWXENPVQAXPHH-UHFFFAOYSA-N 0 0 231.118 2.405 10 0 BEAERN S=c1[nH]cnc(C2CC2)c1Br ZINC000236605055 346257007 /nfs/dbraw/zinc/25/70/07/346257007.db2.gz IWMBJNRMKSZXQE-UHFFFAOYSA-N 0 0 231.118 2.405 10 0 BEAERN [NH3+]Cc1occ(C2CCCC2)c1C(=O)[O-] ZINC000675051821 537962887 /nfs/dbraw/zinc/96/28/87/537962887.db2.gz UYVGXCAFAWURDL-UHFFFAOYSA-N 0 0 209.245 2.094 10 0 BEAERN CC(C)N(C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054864365 187318414 /nfs/dbraw/zinc/31/84/14/187318414.db2.gz PZRBVYZFURNIHX-MRVPVSSYSA-N 0 0 225.361 2.324 10 0 BEAERN CCOc1ccccc1OCCC(N)=S ZINC000005592801 346266854 /nfs/dbraw/zinc/26/68/54/346266854.db2.gz CGTXQIXCLJJFPG-UHFFFAOYSA-N 0 0 225.313 2.140 10 0 BEAERN CC(C)Cn1cnnc1-c1sccc1N ZINC000054526240 187318550 /nfs/dbraw/zinc/31/85/50/187318550.db2.gz AJMIILFMZMFKIY-UHFFFAOYSA-N 0 0 222.317 2.245 10 0 BEAERN Cc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077206574 179017550 /nfs/dbraw/zinc/01/75/50/179017550.db2.gz LFWBLFDUOMMUGZ-KBPBESRZSA-N 0 0 247.338 2.276 10 0 BEAERN CCOC(=O)N1CC[C@H](O)c2ccccc21 ZINC000062552609 346279661 /nfs/dbraw/zinc/27/96/61/346279661.db2.gz LVPVKWRCOBWGSH-NSHDSACASA-N 0 0 221.256 2.087 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1F ZINC000161580689 179022934 /nfs/dbraw/zinc/02/29/34/179022934.db2.gz QNUXDVHVCLCGSF-WCBMZHEXSA-N 0 0 207.248 2.272 10 0 BEAERN Cc1cccc(C)c1-n1nnc2cccnc21 ZINC000169320962 179029438 /nfs/dbraw/zinc/02/94/38/179029438.db2.gz DCTCZZOIEGEKQE-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN Nc1ccc2c(ccn2[C@@H]2CCOC2)c1 ZINC000308611732 537967212 /nfs/dbraw/zinc/96/72/12/537967212.db2.gz DBODPDZIUKTCDG-LLVKDONJSA-N 0 0 202.257 2.185 10 0 BEAERN Cc1cccc(C)c1N1CC[C@H](CO)C1 ZINC000011892805 179039758 /nfs/dbraw/zinc/03/97/58/179039758.db2.gz MUAYQLXKUSCRJJ-LBPRGKRZSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1cccc(C)c1NCC(=O)N[C@H]1C[C@H]1C ZINC000173478248 179044006 /nfs/dbraw/zinc/04/40/06/179044006.db2.gz UUTHKOQAWRQRKU-NEPJUHHUSA-N 0 0 232.327 2.240 10 0 BEAERN Cc1cccc(CC(=O)c2ccccc2)[n+]1[O-] ZINC000001691555 179052817 /nfs/dbraw/zinc/05/28/17/179052817.db2.gz YQEPIDSBNXHJPH-UHFFFAOYSA-N 0 0 227.263 2.054 10 0 BEAERN Cc1cccc(CCNC(=O)OC(C)C)n1 ZINC000296509752 179057487 /nfs/dbraw/zinc/05/74/87/179057487.db2.gz ZOFPJWZUAFCSPK-UHFFFAOYSA-N 0 0 222.288 2.067 10 0 BEAERN CC1=CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000300713787 346373820 /nfs/dbraw/zinc/37/38/20/346373820.db2.gz XHCJOGDNRXRWOY-ZSBIGDGJSA-N 0 0 205.301 2.211 10 0 BEAERN CCN1CCO[C@@H](c2ccc(NC)cc2)C1 ZINC000148651420 346376647 /nfs/dbraw/zinc/37/66/47/346376647.db2.gz UARQNIDYQKMDRI-CYBMUJFWSA-N 0 0 220.316 2.122 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)C1CCC=CCC1 ZINC000636304373 346385779 /nfs/dbraw/zinc/38/57/79/346385779.db2.gz HSJQZNMDSUPZFM-DGCLKSJQSA-N 0 0 237.343 2.105 10 0 BEAERN Cc1nc(C)c(-c2nnc(Br)o2)o1 ZINC000157839952 346387106 /nfs/dbraw/zinc/38/71/06/346387106.db2.gz KPGRLHUOYGBQAL-UHFFFAOYSA-N 0 0 244.048 2.104 10 0 BEAERN CNc1cc(Br)c(F)cc1N ZINC000159017077 346405520 /nfs/dbraw/zinc/40/55/20/346405520.db2.gz IKSDDPCSFJLJBD-UHFFFAOYSA-N 0 0 219.057 2.212 10 0 BEAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000200108078 537978694 /nfs/dbraw/zinc/97/86/94/537978694.db2.gz VLLMYLUGKCRRRG-VIFPVBQESA-N 0 0 227.304 2.269 10 0 BEAERN Cc1nc(C(=O)[O-])sc1[C@H]1CC[NH2+][C@H](C)C1 ZINC000669379328 537977664 /nfs/dbraw/zinc/97/76/64/537977664.db2.gz CBNWFGXHSORJJX-SVRRBLITSA-N 0 0 240.328 2.005 10 0 BEAERN [NH3+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)nc1F ZINC000725241261 537978094 /nfs/dbraw/zinc/97/80/94/537978094.db2.gz HNJZRNSHKQYBTQ-UHFFFAOYSA-N 0 0 246.241 2.045 10 0 BEAERN CC[N@H+](C)Cc1cc(C(=O)[O-])c(F)cc1F ZINC000669379447 537979846 /nfs/dbraw/zinc/97/98/46/537979846.db2.gz BXSGSHGTITYQNY-UHFFFAOYSA-N 0 0 229.226 2.115 10 0 BEAERN Cc1cccc2sc(=NN(C)C)[nH]c21 ZINC000148787302 346440395 /nfs/dbraw/zinc/44/03/95/346440395.db2.gz YNAFEXMTZUCESX-UHFFFAOYSA-N 0 0 207.302 2.493 10 0 BEAERN CCCCc1ccoc1S(=O)(=O)NC(C)C ZINC000675054948 537981043 /nfs/dbraw/zinc/98/10/43/537981043.db2.gz WWCKKPFHCRVMFC-UHFFFAOYSA-N 0 0 245.344 2.309 10 0 BEAERN Cc1cccc(CNCc2ccccn2)n1 ZINC000048329721 179094958 /nfs/dbraw/zinc/09/49/58/179094958.db2.gz IJFKPLIHUQWKJY-UHFFFAOYSA-N 0 0 213.284 2.075 10 0 BEAERN Cc1cccc(CNCc2nccn2C)c1C ZINC000071140861 179095488 /nfs/dbraw/zinc/09/54/88/179095488.db2.gz LSPWRAWJDHTWAL-UHFFFAOYSA-N 0 0 229.327 2.327 10 0 BEAERN COc1ccsc1C(=O)[C@H]1CO[C@@H](C)C1 ZINC000161988246 346505734 /nfs/dbraw/zinc/50/57/34/346505734.db2.gz COEMHCYJFIZSDJ-JGVFFNPUSA-N 0 0 226.297 2.364 10 0 BEAERN CC[C@]1(C2CCCC2)O[C@@]1(Cl)C(=O)OC ZINC000387629788 537982104 /nfs/dbraw/zinc/98/21/04/537982104.db2.gz DZYOSMXQMMEYBA-MNOVXSKESA-N 0 0 232.707 2.464 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)COC ZINC000103355883 346520005 /nfs/dbraw/zinc/52/00/05/346520005.db2.gz UPNDNQJDTQVHNM-GHMZBOCLSA-N 0 0 213.321 2.060 10 0 BEAERN Cc1cccc(I)c1O ZINC000095710977 179110586 /nfs/dbraw/zinc/11/05/86/179110586.db2.gz GZZUGNNHSZONTO-UHFFFAOYSA-N 0 0 234.036 2.305 10 0 BEAERN Cc1cccc(N2CC[C@@H](CO)C2)c1C ZINC000011892809 179121579 /nfs/dbraw/zinc/12/15/79/179121579.db2.gz VNQBGLARHDZFQO-GFCCVEGCSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1cc(-n2cccn2)ncc1Br ZINC000164046900 346588067 /nfs/dbraw/zinc/58/80/67/346588067.db2.gz OUHYJTPTDAVKPL-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1cc(Br)cc(-n2ccnn2)c1 ZINC000725242321 537983866 /nfs/dbraw/zinc/98/38/66/537983866.db2.gz UCICJQWUMMVCGL-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1cccc(N2NC[C@H]3C(=O)CCC[C@@H]32)c1C ZINC000261507363 179123636 /nfs/dbraw/zinc/12/36/36/179123636.db2.gz HTPYWUSNYJOEHF-OCCSQVGLSA-N 0 0 244.338 2.366 10 0 BEAERN Cc1cc(Br)cnc1N1CCCO1 ZINC000164388648 346603057 /nfs/dbraw/zinc/60/30/57/346603057.db2.gz HQYGRMJBNAMRHK-UHFFFAOYSA-N 0 0 243.104 2.294 10 0 BEAERN CCNC(=S)N1[C@H](CC)CC[C@@H]1C ZINC000164488637 346607016 /nfs/dbraw/zinc/60/70/16/346607016.db2.gz XTKRUJIJUYTROU-DTWKUNHWSA-N 0 0 200.351 2.144 10 0 BEAERN C[C@]1(C(=O)[C@H]2CCCO2)CCCS1 ZINC000164746456 346622289 /nfs/dbraw/zinc/62/22/89/346622289.db2.gz ADPAPETZZYLHJU-PSASIEDQSA-N 0 0 200.303 2.020 10 0 BEAERN N[C@@H](c1csnn1)c1ccc(Cl)s1 ZINC000164703775 346618283 /nfs/dbraw/zinc/61/82/83/346618283.db2.gz PHPQCKPGZOSKOO-ZETCQYMHSA-N 0 0 231.733 2.301 10 0 BEAERN O=CNCc1cccc(Cl)c1Cl ZINC000149146793 346566784 /nfs/dbraw/zinc/56/67/84/346566784.db2.gz IPXPOKKUNXICIE-UHFFFAOYSA-N 0 0 204.056 2.239 10 0 BEAERN COC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000187304079 346568671 /nfs/dbraw/zinc/56/86/71/346568671.db2.gz FZPSPAMIGXUFPH-WCQYABFASA-N 0 0 237.347 2.219 10 0 BEAERN CC[C@]1(C)N(O)[C@H](C)C(c2ccccc2)=[N+]1[O-] ZINC000165348636 346648536 /nfs/dbraw/zinc/64/85/36/346648536.db2.gz YARVHMNOGFPZCR-ZWNOBZJWSA-N 0 0 235.307 2.097 10 0 BEAERN Cc1cccc(NC(=O)N[C@H]2CCC[C@H]2O)c1 ZINC000170292532 179135679 /nfs/dbraw/zinc/13/56/79/179135679.db2.gz AMRNYQMPISQMEL-NWDGAFQWSA-N 0 0 234.299 2.030 10 0 BEAERN Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000181843072 179136468 /nfs/dbraw/zinc/13/64/68/179136468.db2.gz XMRZIFOLOZZXHL-QWRGUYRKSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1cccc(NC(=O)[C@@H](C)C2CCOCC2)n1 ZINC000120043923 179137867 /nfs/dbraw/zinc/13/78/67/179137867.db2.gz AAGPUVPLEWEZGR-NSHDSACASA-N 0 0 248.326 2.391 10 0 BEAERN Cc1cccc(NC(=O)Cc2ccccc2N)n1 ZINC000019811712 179128701 /nfs/dbraw/zinc/12/87/01/179128701.db2.gz QVLLTOVZHHDCFC-UHFFFAOYSA-N 0 0 241.294 2.153 10 0 BEAERN Cc1cccc(NC(=O)C[C@H](C)O)c1C ZINC000021952008 179128969 /nfs/dbraw/zinc/12/89/69/179128969.db2.gz UKFCWRVIWVAFNC-VIFPVBQESA-N 0 0 207.273 2.013 10 0 BEAERN Ic1ccc2occc2n1 ZINC000149267362 346664602 /nfs/dbraw/zinc/66/46/02/346664602.db2.gz LFWLCRVCRLOCIE-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN Cc1cccc(NC(=O)C[C@H](O)C(C)C)c1 ZINC000153800245 179129261 /nfs/dbraw/zinc/12/92/61/179129261.db2.gz NXHUQDQJZQBUIF-LBPRGKRZSA-N 0 0 221.300 2.341 10 0 BEAERN CCC1CCC(NC(=O)CCC(C)=O)CC1 ZINC000203100620 346624284 /nfs/dbraw/zinc/62/42/84/346624284.db2.gz AYWJGWBSLQMASM-UHFFFAOYSA-N 0 0 225.332 2.441 10 0 BEAERN Cc1ccc([C@@H]2CC(=O)N2)cc1Br ZINC000164828093 346628496 /nfs/dbraw/zinc/62/84/96/346628496.db2.gz GEKZUYNLQGEPED-VIFPVBQESA-N 0 0 240.100 2.319 10 0 BEAERN CCC(C)(C)c1nnc2ccc(Cl)nn21 ZINC000054403663 346712744 /nfs/dbraw/zinc/71/27/44/346712744.db2.gz HTVGZKRTULORPQ-UHFFFAOYSA-N 0 0 224.695 2.465 10 0 BEAERN Cc1cccc(NC(=O)[C@H]2CCCO[C@@H]2C)n1 ZINC000188806220 179140716 /nfs/dbraw/zinc/14/07/16/179140716.db2.gz LOEBLFOHFXKHIX-MNOVXSKESA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cccc(NCC(=O)NC(C)(C)C)c1 ZINC000020034668 179143029 /nfs/dbraw/zinc/14/30/29/179143029.db2.gz GTGNHSKKKQYUKM-UHFFFAOYSA-N 0 0 220.316 2.322 10 0 BEAERN Clc1ccncc1NCc1csnn1 ZINC000166633882 346684524 /nfs/dbraw/zinc/68/45/24/346684524.db2.gz MCKUWOBPDPLGGV-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN Cc1cccc(N[C@@H]2CCCC[C@@H]2O)n1 ZINC000052005782 179155539 /nfs/dbraw/zinc/15/55/39/179155539.db2.gz IEZHPRUVAOAOPM-MNOVXSKESA-N 0 0 206.289 2.105 10 0 BEAERN Cc1cccc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000037670700 179155786 /nfs/dbraw/zinc/15/57/86/179155786.db2.gz IFYNYQYEFNNXAS-MNOVXSKESA-N 0 0 206.289 2.369 10 0 BEAERN Cc1cccc(N[C@H](C)C(=O)N2CCCC2)c1 ZINC000055420948 179156539 /nfs/dbraw/zinc/15/65/39/179156539.db2.gz GPUSFEGYZRUNCB-GFCCVEGCSA-N 0 0 232.327 2.418 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115360617 370650064 /nfs/dbraw/zinc/65/00/64/370650064.db2.gz YAJRQKQXNXWZSM-ISVAXAHUSA-N 0 0 246.285 2.374 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189941981 179161004 /nfs/dbraw/zinc/16/10/04/179161004.db2.gz XMMDGVQQISDVLL-GHMZBOCLSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cccc(OCC(=O)NC2CCCC2)c1N ZINC000035056556 179163628 /nfs/dbraw/zinc/16/36/28/179163628.db2.gz ZKXOMKFBTWMFET-UHFFFAOYSA-N 0 0 248.326 2.015 10 0 BEAERN Cc1cccc(OCCC(=O)N[C@H]2C[C@H]2C)c1 ZINC000171059893 179165025 /nfs/dbraw/zinc/16/50/25/179165025.db2.gz AIWMYHXTALGFNA-YPMHNXCESA-N 0 0 233.311 2.289 10 0 BEAERN Cc1cccc(OCCN2CCC(=O)CC2)c1 ZINC000032089699 179166452 /nfs/dbraw/zinc/16/64/52/179166452.db2.gz RLJDWXQWKQZTNQ-UHFFFAOYSA-N 0 0 233.311 2.039 10 0 BEAERN Cc1cccc(O[C@H](C)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075530119 179174420 /nfs/dbraw/zinc/17/44/20/179174420.db2.gz ZBZLRBMXBUTHNJ-LOWVWBTDSA-N 0 0 233.311 2.287 10 0 BEAERN Cc1nn(C)c(Oc2cccc(C)c2)c1CO ZINC000020468806 179175765 /nfs/dbraw/zinc/17/57/65/179175765.db2.gz IGZRANXLWGZQLY-UHFFFAOYSA-N 0 0 232.283 2.322 10 0 BEAERN CCCC(=O)Nc1nc(COC)cs1 ZINC000115246579 168567166 /nfs/dbraw/zinc/56/71/66/168567166.db2.gz ZDJMBURZVDPIGC-UHFFFAOYSA-N 0 0 214.290 2.028 10 0 BEAERN Cc1cccc([C@@H](N)c2nccs2)c1 ZINC000058432049 179186488 /nfs/dbraw/zinc/18/64/88/179186488.db2.gz HUFPJLCJBGVKNI-SNVBAGLBSA-N 0 0 204.298 2.500 10 0 BEAERN NCC(F)(F)COc1cccc(Cl)c1 ZINC000258380675 537987523 /nfs/dbraw/zinc/98/75/23/537987523.db2.gz ZAZZHPHGMSTEGM-UHFFFAOYSA-N 0 0 221.634 2.313 10 0 BEAERN O=c1ccc2c[nH]c(Nc3ccccc3)nc-2n1 ZINC000038977074 347174371 /nfs/dbraw/zinc/17/43/71/347174371.db2.gz JWEMWYPUAVAOBO-UHFFFAOYSA-N 0 0 238.250 2.062 10 0 BEAERN O=C([O-])[C@@]1(CC2CCCC2)CCC[NH2+]C1 ZINC000062851497 347184319 /nfs/dbraw/zinc/18/43/19/347184319.db2.gz XGGKRZKTUFYRAL-GFCCVEGCSA-N 0 0 211.305 2.021 10 0 BEAERN CC[C@@H]([NH2+]Cc1ncnn1CC)C(C)(C)C ZINC000310038787 347222667 /nfs/dbraw/zinc/22/26/67/347222667.db2.gz WKLOHEGRXCFVGV-SNVBAGLBSA-N 0 0 224.352 2.212 10 0 BEAERN Cc1cccc([C@H]2NC(=O)[C@H]3CCCCN32)c1C ZINC000078758579 179205007 /nfs/dbraw/zinc/20/50/07/179205007.db2.gz PNXUKOZJXMJEFA-KGLIPLIRSA-N 0 0 244.338 2.286 10 0 BEAERN Cc1cccc2c1OCC[C@@H]2NCc1ncc[nH]1 ZINC000188950633 347293049 /nfs/dbraw/zinc/29/30/49/347293049.db2.gz BJFYUYKVKVNDPT-LBPRGKRZSA-N 0 0 243.310 2.332 10 0 BEAERN Cc1cccc([C@H](N)C(F)(F)F)c1N ZINC000072191425 179200270 /nfs/dbraw/zinc/20/02/70/179200270.db2.gz AZTMIXLZGDBYTI-QMMMGPOBSA-N 0 0 204.195 2.139 10 0 BEAERN CCc1nc2cc(CC(C)C)cc(O)n2n1 ZINC000725243018 537988247 /nfs/dbraw/zinc/98/82/47/537988247.db2.gz FYHZUCRSLXQQIA-UHFFFAOYSA-N 0 0 219.288 2.196 10 0 BEAERN C[C@H](O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000149505400 347283927 /nfs/dbraw/zinc/28/39/27/347283927.db2.gz SKGCMMQLWFTJPO-WCQYABFASA-N 0 0 249.310 2.026 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190798279 347335943 /nfs/dbraw/zinc/33/59/43/347335943.db2.gz RWRGIOAJTJPOKK-VHSXEESVSA-N 0 0 249.301 2.305 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)cc(C)n1 ZINC000390466930 347360689 /nfs/dbraw/zinc/36/06/89/347360689.db2.gz ASOOCYTWFFTJIO-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cc1cccc2c1N(C[C@@H](O)C(F)(F)F)CC2 ZINC000121542097 179219697 /nfs/dbraw/zinc/21/96/97/179219697.db2.gz JWEDFTBFHTWVKK-SNVBAGLBSA-N 0 0 245.244 2.281 10 0 BEAERN Cc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)C(=O)[O-] ZINC000049357826 179221530 /nfs/dbraw/zinc/22/15/30/179221530.db2.gz KERSSBDLUYBLOW-JQWIXIFHSA-N 0 0 249.310 2.271 10 0 BEAERN Cc1cccc2ncc([C@H](C)C(N)=S)n21 ZINC000031933419 179231928 /nfs/dbraw/zinc/23/19/28/179231928.db2.gz JOQCYVANTPJLKX-QMMMGPOBSA-N 0 0 219.313 2.032 10 0 BEAERN COc1cncc(NCc2ccc(Cl)o2)n1 ZINC000390624149 259395525 /nfs/dbraw/zinc/39/55/25/259395525.db2.gz JIBBHHGSAHJJJY-UHFFFAOYSA-N 0 0 239.662 2.344 10 0 BEAERN CSCC(=O)c1ccc2c(c1)OCCO2 ZINC000055200671 347436676 /nfs/dbraw/zinc/43/66/76/347436676.db2.gz RKBCSEJKRVBESR-UHFFFAOYSA-N 0 0 224.281 2.004 10 0 BEAERN Nc1ccc(-c2cc3cc(N)ncc3[nH]2)cc1 ZINC000204725148 347442143 /nfs/dbraw/zinc/44/21/43/347442143.db2.gz YRDFJUFDPLLAMP-UHFFFAOYSA-N 0 0 224.267 2.394 10 0 BEAERN CCCC(=O)c1c(O)cc(O)c(C)c1O ZINC000032207291 168571612 /nfs/dbraw/zinc/57/16/12/168571612.db2.gz WPBGSQXSWBAQEX-UHFFFAOYSA-N 0 0 210.229 2.095 10 0 BEAERN Cc1cccc2nc(-c3cccnc3)c(N)n21 ZINC000036222164 179228651 /nfs/dbraw/zinc/22/86/51/179228651.db2.gz NXYPRDNNNCQXGX-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1ccccc1-n1cc(N(C)C)cn1 ZINC000039104994 179241051 /nfs/dbraw/zinc/24/10/51/179241051.db2.gz YBGAOAAAEFVCRQ-UHFFFAOYSA-N 0 0 201.273 2.247 10 0 BEAERN CCCC(=O)c1c(O)cc(OC)cc1OC ZINC000014817776 168571942 /nfs/dbraw/zinc/57/19/42/168571942.db2.gz ZGZRAVIBVIHXCL-UHFFFAOYSA-N 0 0 224.256 2.392 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1n1cccc1C=O ZINC000149792186 347520662 /nfs/dbraw/zinc/52/06/62/347520662.db2.gz GUMWEYSJSSBYSG-GHMZBOCLSA-N 0 0 206.289 2.200 10 0 BEAERN CCc1c(O)n2nc(COC)nc2cc1C(C)C ZINC000725243325 537991483 /nfs/dbraw/zinc/99/14/83/537991483.db2.gz XFOXCGAWJOJZGD-UHFFFAOYSA-N 0 0 249.314 2.267 10 0 BEAERN Cc1ccccc1CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190658053 179279500 /nfs/dbraw/zinc/27/95/00/179279500.db2.gz LCULYSHIMYDSOH-TZMCWYRMSA-N 0 0 247.338 2.426 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000075529175 347775508 /nfs/dbraw/zinc/77/55/08/347775508.db2.gz JVXKQHBQKORWMD-XVKPBYJWSA-N 0 0 241.237 2.426 10 0 BEAERN Cc1ccccc1CSCC[C@H]([NH3+])C(=O)[O-] ZINC000028570577 179287821 /nfs/dbraw/zinc/28/78/21/179287821.db2.gz FWEMQWXSSVUTGP-NSHDSACASA-N 0 0 239.340 2.030 10 0 in-vivo BEAERN Cc1ccnc(C2=C/C(=C/N=O)C=CN2)c1 ZINC000215451815 347820147 /nfs/dbraw/zinc/82/01/47/347820147.db2.gz LERAGJGHRBNECM-CSKARUKUSA-N 0 0 213.240 2.498 10 0 BEAERN Cc1ccccc1C[C@@H]([NH3+])c1cnccn1 ZINC000037467137 179289519 /nfs/dbraw/zinc/28/95/19/179289519.db2.gz PJJRNUCVDCTFJU-GFCCVEGCSA-N 0 0 213.284 2.028 10 0 BEAERN CCO[P@](=O)(OC)c1ccccc1 ZINC000196087002 347786124 /nfs/dbraw/zinc/78/61/24/347786124.db2.gz YDEBUXIHAJWXQR-CYBMUJFWSA-N 0 0 200.174 2.188 10 0 BEAERN CCc1c(C)cc2nc(COC)nn2c1Cl ZINC000725243372 537992405 /nfs/dbraw/zinc/99/24/05/537992405.db2.gz ZRGBANKFNYKMDE-UHFFFAOYSA-N 0 0 239.706 2.400 10 0 BEAERN Cc1ccccc1NC(=O)c1ccno1 ZINC000006550380 179302948 /nfs/dbraw/zinc/30/29/48/179302948.db2.gz RDNWMJKSLVIFAJ-UHFFFAOYSA-N 0 0 202.213 2.235 10 0 BEAERN Cc1ccccc1N[C@@H](C)C(=O)NC1CC1 ZINC000020300712 179305980 /nfs/dbraw/zinc/30/59/80/179305980.db2.gz SBTCQBAYUGCCAY-JTQLQIEISA-N 0 0 218.300 2.074 10 0 BEAERN Cc1ccccc1NC1(C(N)=O)CCCC1 ZINC000037942111 179303897 /nfs/dbraw/zinc/30/38/97/179303897.db2.gz ACMBMSJEPMPHQF-UHFFFAOYSA-N 0 0 218.300 2.205 10 0 BEAERN Cc1ccccc1NCC(=O)NC1CCCC1 ZINC000020056264 179305239 /nfs/dbraw/zinc/30/52/39/179305239.db2.gz XFIRMGSKLNZVKK-UHFFFAOYSA-N 0 0 232.327 2.466 10 0 BEAERN Cc1ccccc1Nc1cc(C(N)=O)ccc1N ZINC000103954624 179307707 /nfs/dbraw/zinc/30/77/07/179307707.db2.gz GOWVCTKUHCITHA-UHFFFAOYSA-N 0 0 241.294 2.420 10 0 BEAERN Cc1ccccc1OCCCC(=O)N1CCCO1 ZINC000125385403 179309882 /nfs/dbraw/zinc/30/98/82/179309882.db2.gz LROYNSPTNPMEFU-UHFFFAOYSA-N 0 0 249.310 2.318 10 0 BEAERN Cc1ccccc1N[C@](C)(C(N)=O)C(C)C ZINC000037942049 179306806 /nfs/dbraw/zinc/30/68/06/179306806.db2.gz AEHPGQHEKHMKCD-ZDUSSCGKSA-N 0 0 220.316 2.307 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cccc(O)c1 ZINC000020304724 259398950 /nfs/dbraw/zinc/39/89/50/259398950.db2.gz RYISTAMHHMQIIT-SECBINFHSA-N 0 0 207.273 2.167 10 0 BEAERN CCCC[C@@H]1C=C[C@@H]2CCCC(=O)N2O1 ZINC000196614947 347953090 /nfs/dbraw/zinc/95/30/90/347953090.db2.gz WMEZEOLEJZZHLB-WDEREUQCSA-N 0 0 209.289 2.428 10 0 BEAERN Cc1ccccc1[C@@H](N)c1noc(C2CC2)n1 ZINC000036764075 179325058 /nfs/dbraw/zinc/32/50/58/179325058.db2.gz QQHZQMOGZFVJCJ-LLVKDONJSA-N 0 0 229.283 2.304 10 0 BEAERN O=c1ccnc(-c2ccc(Cl)s2)[nH]1 ZINC000036882136 347961567 /nfs/dbraw/zinc/96/15/67/347961567.db2.gz JRGSSNFFSFNAFG-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN Clc1ncccc1NC[C@H]1CCOC1 ZINC000036982947 348009111 /nfs/dbraw/zinc/00/91/11/348009111.db2.gz CHWNKSONXMKHPC-MRVPVSSYSA-N 0 0 212.680 2.183 10 0 BEAERN Cc1ccccc1[C@@H]1Cc2n[nH]cc2[C@@H](O)C1 ZINC000072415156 179331123 /nfs/dbraw/zinc/33/11/23/179331123.db2.gz DRYIPCHIMGFYMB-YGRLFVJLSA-N 0 0 228.295 2.482 10 0 BEAERN Cn1ccnc1Sc1ccc(Cl)nn1 ZINC000037022332 348016133 /nfs/dbraw/zinc/01/61/33/348016133.db2.gz XDLLGTLBRSFUFA-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN CN(c1cccc(Cl)c1CO)C1CC1 ZINC000037081370 348016784 /nfs/dbraw/zinc/01/67/84/348016784.db2.gz ZFEGTJNQRAGGHU-UHFFFAOYSA-N 0 0 211.692 2.431 10 0 BEAERN CS[C@@H]1CCC[C@H]1Nc1cnccn1 ZINC000230915991 349981321 /nfs/dbraw/zinc/98/13/21/349981321.db2.gz JPCHPFNTSZGGET-RKDXNWHRSA-N 0 0 209.318 2.173 10 0 BEAERN Cc1cc(Cl)ccc1N1CCOCC1=O ZINC000725244409 537998638 /nfs/dbraw/zinc/99/86/38/537998638.db2.gz NYYNVNOACGDBBR-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN O=C1COCCN1c1ccc(C(F)(F)F)cc1 ZINC000725244692 537998973 /nfs/dbraw/zinc/99/89/73/537998973.db2.gz RNUCKBRNDZCITC-UHFFFAOYSA-N 0 0 245.200 2.069 10 0 BEAERN COCc1c(F)cncc1Br ZINC000223985081 348248480 /nfs/dbraw/zinc/24/84/80/348248480.db2.gz XUEGEKBIDCEEBR-UHFFFAOYSA-N 0 0 220.041 2.130 10 0 BEAERN CC[C@H](C)[S@](=O)[C@H]1CCCCC1=O ZINC000251400441 362869225 /nfs/dbraw/zinc/86/92/25/362869225.db2.gz YVQCXPZETAGBQG-FWDPORAESA-N 0 0 202.319 2.045 10 0 BEAERN Nc1cccc2c1ccn2[C@@H]1CCOC1 ZINC000224416191 348255542 /nfs/dbraw/zinc/25/55/42/348255542.db2.gz XDOYWSNBJXPGBC-SECBINFHSA-N 0 0 202.257 2.185 10 0 BEAERN C[Si](C)(C)CCSC[C@H]1CNC(=O)O1 ZINC000725245172 538000887 /nfs/dbraw/zinc/00/08/87/538000887.db2.gz FOVPTHDZJMTBDA-MRVPVSSYSA-N 0 0 233.409 2.166 10 0 BEAERN Cn1cc(CSCC[Si](C)(C)C)nn1 ZINC000725245299 538001027 /nfs/dbraw/zinc/00/10/27/538001027.db2.gz GONZUWUVDNMZHN-UHFFFAOYSA-N 0 0 229.425 2.387 10 0 BEAERN Cc1nnsc1C(=O)c1ccccc1F ZINC000159135516 348283552 /nfs/dbraw/zinc/28/35/52/348283552.db2.gz KZSISHXYNNINKY-UHFFFAOYSA-N 0 0 222.244 2.217 10 0 BEAERN Cc1cccnc1N[C@@H](C)Cn1ccnc1 ZINC000051041103 179395189 /nfs/dbraw/zinc/39/51/89/179395189.db2.gz QHUJTPDGBNQTEC-NSHDSACASA-N 0 0 216.288 2.087 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CCC21CCCC1 ZINC000669382806 538002234 /nfs/dbraw/zinc/00/22/34/538002234.db2.gz DNHURGCEDJWCCA-OLZOCXBDSA-N 0 0 224.300 2.431 10 0 BEAERN COC(=O)Nc1cc(N)ccc1Br ZINC000159291841 349984198 /nfs/dbraw/zinc/98/41/98/349984198.db2.gz XTAUDOTVRYDDSA-UHFFFAOYSA-N 0 0 245.076 2.210 10 0 BEAERN CC(C)OCC(=O)Cc1ccc(F)cc1 ZINC000037344574 348348240 /nfs/dbraw/zinc/34/82/40/348348240.db2.gz KSWGLBGVZLZGMX-UHFFFAOYSA-N 0 0 210.248 2.362 10 0 BEAERN Cc1ccc(F)c(NCCC2(O)CC2)c1 ZINC000309092563 349984208 /nfs/dbraw/zinc/98/42/08/349984208.db2.gz CQDLORBTCXNCNR-UHFFFAOYSA-N 0 0 209.264 2.461 10 0 BEAERN Cc1cc(C(=O)Cn2ccnc2)c(C)s1 ZINC000037340504 348331393 /nfs/dbraw/zinc/33/13/93/348331393.db2.gz OIKKGNRFPOXFSW-UHFFFAOYSA-N 0 0 220.297 2.444 10 0 BEAERN C[C@H](O)c1cnc(N2CC[C@H](C)C2)s1 ZINC000251611459 362891525 /nfs/dbraw/zinc/89/15/25/362891525.db2.gz GYCJRUKIEMXPHN-YUMQZZPRSA-N 0 0 212.318 2.043 10 0 BEAERN Clc1nsnc1NCC1CCC1 ZINC000037372343 348355733 /nfs/dbraw/zinc/35/57/33/348355733.db2.gz VXLFWDNQCPZCCE-UHFFFAOYSA-N 0 0 203.698 2.404 10 0 BEAERN CCN1CCC[C@H]1CNc1nsnc1Cl ZINC000037372275 348356164 /nfs/dbraw/zinc/35/61/64/348356164.db2.gz WNQDLMCWMUKMKP-ZETCQYMHSA-N 0 0 246.767 2.088 10 0 BEAERN Nc1ccc(Cl)c(Cn2ccnc2)c1 ZINC000037403105 348421538 /nfs/dbraw/zinc/42/15/38/348421538.db2.gz QCPMZMYKNXWZAP-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Nc1ccc(Cl)c(Cn2cccn2)c1 ZINC000037403102 348421565 /nfs/dbraw/zinc/42/15/65/348421565.db2.gz RKVGZCZYCCYXNY-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Cc1ccnc(N(C)Cc2cccc(N)c2)n1 ZINC000061859696 179427859 /nfs/dbraw/zinc/42/78/59/179427859.db2.gz LZBGFQCZTZLVFQ-UHFFFAOYSA-N 0 0 228.299 2.004 10 0 BEAERN CC(C)CCN(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000129736127 490165384 /nfs/dbraw/zinc/16/53/84/490165384.db2.gz ZMFAHMKEZVNUDF-WDEREUQCSA-N 0 0 213.321 2.058 10 0 BEAERN CC1=C[C@H](C)C[C@H](C[C@H](C[NH3+])C(=O)[O-])C1 ZINC000725246128 538004145 /nfs/dbraw/zinc/00/41/45/538004145.db2.gz KKFBXUGLHYXRPI-INTQDDNPSA-N 0 0 211.305 2.028 10 0 BEAERN Cc1cncc(C(=O)C[C@@H]2CCCO2)c1 ZINC000227947863 348467679 /nfs/dbraw/zinc/46/76/79/348467679.db2.gz JBZCCSGKLFSSKA-NSHDSACASA-N 0 0 205.257 2.142 10 0 BEAERN Cc1ccnc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000184071397 179438813 /nfs/dbraw/zinc/43/88/13/179438813.db2.gz VKIBQXRXIKUZCQ-QWRGUYRKSA-N 0 0 249.314 2.079 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@@H]1CCCC[C@H]12 ZINC000669383067 538006383 /nfs/dbraw/zinc/00/63/83/538006383.db2.gz MGNRVKPYKACDPG-OEIWMXHLSA-N 0 0 230.691 2.074 10 0 BEAERN CCC(CC)NC(=O)[C@H]1CCCO[C@H]1C ZINC000190396810 535075629 /nfs/dbraw/zinc/07/56/29/535075629.db2.gz XAWVEXLQXFKJDR-ONGXEEELSA-N 0 0 213.321 2.106 10 0 BEAERN CCCC[C@@]1(C)O[C@]1(CC)C(=O)OC ZINC000669383548 538008417 /nfs/dbraw/zinc/00/84/17/538008417.db2.gz JDSFFQLWSZDLHZ-GHMZBOCLSA-N 0 0 200.278 2.287 10 0 BEAERN CC(C)(C[C@@H](C[NH3+])C(=O)[O-])c1ccccc1 ZINC000725246243 538007077 /nfs/dbraw/zinc/00/70/77/538007077.db2.gz MFSUSBCDOPQHKG-JTQLQIEISA-N 0 0 221.300 2.014 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@@H]1CCC[C@H]12 ZINC000669383384 538008933 /nfs/dbraw/zinc/00/89/33/538008933.db2.gz PAFQIXQYXKXJLP-OEIWMXHLSA-N 0 0 230.691 2.074 10 0 BEAERN CC1=CCC[C@H](C)[C@H]1C[C@@H](C[NH3+])C(=O)[O-] ZINC000725246705 538009144 /nfs/dbraw/zinc/00/91/44/538009144.db2.gz UAQJLZGDJCALLG-DCAQKATOSA-N 0 0 211.305 2.028 10 0 BEAERN Cc1nn(C)c(Cl)c1COC(C)C ZINC000037460340 348615286 /nfs/dbraw/zinc/61/52/86/348615286.db2.gz GEBGQCNIETZDCQ-UHFFFAOYSA-N 0 0 202.685 2.307 10 0 BEAERN Cc1cc(N)c2c(n1)onc2C1CCC1 ZINC000669383147 538009457 /nfs/dbraw/zinc/00/94/57/538009457.db2.gz GLWDKEZXWKFKPM-UHFFFAOYSA-N 0 0 203.245 2.381 10 0 BEAERN CC[C@]1(C)O[C@@]1(CC(C)C)C(=O)OC ZINC000669383407 538009496 /nfs/dbraw/zinc/00/94/96/538009496.db2.gz HLXDANZFIMHIMA-QWRGUYRKSA-N 0 0 200.278 2.143 10 0 BEAERN CC1(C)CCC[C@H](C[C@H](C[NH3+])C(=O)[O-])C1 ZINC000725246769 538008826 /nfs/dbraw/zinc/00/88/26/538008826.db2.gz WITGMUZLMMOXGV-NXEZZACHSA-N 0 0 213.321 2.252 10 0 BEAERN O[C@@H](CCn1ccnc1)c1cccs1 ZINC000198393073 348718446 /nfs/dbraw/zinc/71/84/46/348718446.db2.gz XRGRORDAQZAPFK-VIFPVBQESA-N 0 0 208.286 2.068 10 0 BEAERN C[C@@H](C(=O)NC[C@H](O)C(C)(C)C)C(C)(C)C ZINC000399090099 323196598 /nfs/dbraw/zinc/19/65/98/323196598.db2.gz WPPUHNSGWURRRX-UWVGGRQHSA-N 0 0 229.364 2.192 10 0 BEAERN CC[C@H](C)n1cc(N)c(=O)c(Br)c1 ZINC000725247440 538010811 /nfs/dbraw/zinc/01/08/11/538010811.db2.gz YSQKYZIKUOQOGA-LURJTMIESA-N 0 0 245.120 2.164 10 0 BEAERN CCc1cc(N)c2c(n1)onc2C(F)(F)F ZINC000669383560 538010823 /nfs/dbraw/zinc/01/08/23/538010823.db2.gz JIQYDFYEVGGFNQ-UHFFFAOYSA-N 0 0 231.177 2.386 10 0 BEAERN COc1ccccc1[C@@]1(O)CCCSC1 ZINC000084423275 348809099 /nfs/dbraw/zinc/80/90/99/348809099.db2.gz NAYPORNQOHCVIO-GFCCVEGCSA-N 0 0 224.325 2.410 10 0 BEAERN COCC(=O)Nc1ccc2sccc2c1 ZINC000054378100 1172109151 /nfs/dbraw/zinc/10/91/51/1172109151.db2.gz JPLNLJBCFKZBHA-UHFFFAOYSA-N 0 0 221.281 2.486 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCCCC[C@@H]2C ZINC000669383610 538012146 /nfs/dbraw/zinc/01/21/46/538012146.db2.gz TYCAZBPUZYGZDD-DLOVCJGASA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(CC(C)C)OC12CC(C)C2 ZINC000669384031 538012566 /nfs/dbraw/zinc/01/25/66/538012566.db2.gz MNCGGEHFRBDOGB-QEWOUOOISA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)Cc1cccs1 ZINC000669383943 538014226 /nfs/dbraw/zinc/01/42/26/538014226.db2.gz YLEJPNSFZTYJTQ-VHSXEESVSA-N 0 0 246.715 2.188 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)Cc1cccs1 ZINC000669383942 538014290 /nfs/dbraw/zinc/01/42/90/538014290.db2.gz YLEJPNSFZTYJTQ-UWVGGRQHSA-N 0 0 246.715 2.188 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CC(C)(C)CC[C@@H]2C ZINC000669384519 538017447 /nfs/dbraw/zinc/01/74/47/538017447.db2.gz XLRCGTLCJIOKNN-AUTRQRHGSA-N 0 0 212.289 2.143 10 0 BEAERN Nc1c(-c2ccc(C=O)s2)cnn1C1CC1 ZINC000669384897 538018215 /nfs/dbraw/zinc/01/82/15/538018215.db2.gz LXQYVHDYDCNISC-UHFFFAOYSA-N 0 0 233.296 2.341 10 0 BEAERN CC[C@H](C)C(=O)C[C@H](C(=O)OC)C(=O)C(C)C ZINC000725248498 538016210 /nfs/dbraw/zinc/01/62/10/538016210.db2.gz WKRKGBLPRGJBRU-UWVGGRQHSA-N 0 0 242.315 2.006 10 0 BEAERN Cc1c(N)cnn1[C@H](C)c1ccccc1 ZINC000725249467 538021843 /nfs/dbraw/zinc/02/18/43/538021843.db2.gz WYKMHIRLDWWKFL-SECBINFHSA-N 0 0 201.273 2.383 10 0 BEAERN CC[C@H](O)OC[C@@H](C)Oc1ccccc1 ZINC000198861412 349007041 /nfs/dbraw/zinc/00/70/41/349007041.db2.gz FWRGCSBAKVECHW-ZYHUDNBSSA-N 0 0 210.273 2.199 10 0 BEAERN Nc1cnn(CC[C@@H]2CCCC2(F)F)c1 ZINC000725249843 538023245 /nfs/dbraw/zinc/02/32/45/538023245.db2.gz KSOPCWUNSPHPGA-QMMMGPOBSA-N 0 0 215.247 2.291 10 0 BEAERN COC(=O)c1cc2c(cc1C)NCCC2 ZINC000616574586 349080510 /nfs/dbraw/zinc/08/05/10/349080510.db2.gz SZQXHUAMJNQHKB-UHFFFAOYSA-N 0 0 205.257 2.140 10 0 BEAERN CCOc1cccc(CO)c1OC(F)(F)F ZINC000616576937 349098450 /nfs/dbraw/zinc/09/84/50/349098450.db2.gz ULTHRFWCRBTCIP-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CCOc1cccc([C@H](O)CC[C@@H]2CO2)c1 ZINC000616572048 349065045 /nfs/dbraw/zinc/06/50/45/349065045.db2.gz TVWONEYDQNRHSI-CHWSQXEVSA-N 0 0 222.284 2.298 10 0 BEAERN O[C@H](C[C@H]1CO1)c1cccc(Br)c1 ZINC000616573227 349068051 /nfs/dbraw/zinc/06/80/51/349068051.db2.gz ZFXJAMRMPCWLCY-VHSXEESVSA-N 0 0 243.100 2.271 10 0 BEAERN O=C([O-])[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250836610 349180287 /nfs/dbraw/zinc/18/02/87/349180287.db2.gz BCBGCUBNNDPJAV-CHWSQXEVSA-N 0 0 245.322 2.123 10 0 BEAERN Cc1csc(NC(=O)c2ccc(O)cc2)n1 ZINC000006218898 179787472 /nfs/dbraw/zinc/78/74/72/179787472.db2.gz JPOXSCRZMXTZHS-UHFFFAOYSA-N 0 0 234.280 2.409 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000333769457 538029336 /nfs/dbraw/zinc/02/93/36/538029336.db2.gz QZNQGBBWUFDONO-MMWGEVLESA-N 0 0 249.314 2.142 10 0 BEAERN Cc1csc(N[C@@H]2CCCC[C@@H]2O)n1 ZINC000052007182 179790376 /nfs/dbraw/zinc/79/03/76/179790376.db2.gz QVXMYRPKCJJROQ-BDAKNGLRSA-N 0 0 212.318 2.167 10 0 BEAERN Cc1csc([C@@](C)(O)C(F)(F)F)n1 ZINC000075846376 179795307 /nfs/dbraw/zinc/79/53/07/179795307.db2.gz FBVCRNCDCYNNSK-ZCFIWIBFSA-N 0 0 211.208 2.221 10 0 BEAERN COC1(CCNC(=O)N[C@@H]2CC2(C)C)CCC1 ZINC000333831038 538033175 /nfs/dbraw/zinc/03/31/75/538033175.db2.gz LNXYTAIIVXJKNW-SNVBAGLBSA-N 0 0 240.347 2.043 10 0 BEAERN O=Cc1cc(-c2cc(O)cc(O)c2)ccc1O ZINC000199391382 349213501 /nfs/dbraw/zinc/21/35/01/349213501.db2.gz QDGJMIGWGXAORV-UHFFFAOYSA-N 0 0 230.219 2.283 10 0 BEAERN COc1cc2cc(N)[nH+]c(C)c2cc1OC ZINC000059074297 349202553 /nfs/dbraw/zinc/20/25/53/349202553.db2.gz FJFREVVCARYUDZ-UHFFFAOYSA-N 0 0 218.256 2.143 10 0 BEAERN CC(C)c1cc(N[C@@H]2CCC[C@@H](O)C2)ncn1 ZINC000599516803 349205280 /nfs/dbraw/zinc/20/52/80/349205280.db2.gz VWGOQUWRYWTSQG-GHMZBOCLSA-N 0 0 235.331 2.315 10 0 BEAERN Cc1[nH]nc2c1c(F)c(F)c(F)c2F ZINC000034415295 179839686 /nfs/dbraw/zinc/83/96/86/179839686.db2.gz MEHLPQAUVAMMPE-UHFFFAOYSA-N 0 0 204.126 2.428 10 0 in-vivo BEAERN Cc1n[nH]cc1C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000362840774 179842875 /nfs/dbraw/zinc/84/28/75/179842875.db2.gz ROXOWWWFZAYJFH-PWSUYJOCSA-N 0 0 233.315 2.123 10 0 BEAERN CC(C)(C)N1C[C@H](CCO)Nc2ccccc21 ZINC000616582780 349302070 /nfs/dbraw/zinc/30/20/70/349302070.db2.gz CQYZOHNHJGCMQH-NSHDSACASA-N 0 0 234.343 2.468 10 0 BEAERN CC(C)(C)N1C[C@@H](CCO)Nc2ccccc21 ZINC000616582778 349302273 /nfs/dbraw/zinc/30/22/73/349302273.db2.gz CQYZOHNHJGCMQH-LLVKDONJSA-N 0 0 234.343 2.468 10 0 BEAERN Cc1nc(-c2ccc(N)c(O)c2)cs1 ZINC000071495051 179865263 /nfs/dbraw/zinc/86/52/63/179865263.db2.gz GNPXSJRXGACTKS-UHFFFAOYSA-N 0 0 206.270 2.406 10 0 BEAERN CCn1ccnc1Cn1c(C)nc2c1CCCC2 ZINC000160738045 349315830 /nfs/dbraw/zinc/31/58/30/349315830.db2.gz KABWERUJCUNEFL-UHFFFAOYSA-N 0 0 244.342 2.335 10 0 BEAERN CCC(C)(C)CC(=O)N1C[C@H](O)CC[C@@H]1C ZINC000422003891 192411881 /nfs/dbraw/zinc/41/18/81/192411881.db2.gz JNYBHEFFHFAOFQ-WDEREUQCSA-N 0 0 227.348 2.185 10 0 BEAERN O=[N+]([O-])c1cc(Cl)c(Cl)c(CO)c1 ZINC000140674113 349392415 /nfs/dbraw/zinc/39/24/15/349392415.db2.gz IKTJIJNTYMUNSE-UHFFFAOYSA-N 0 0 222.027 2.394 10 0 BEAERN Cc1nc(C2CC=CC2)sc1CCO ZINC000083346042 179926952 /nfs/dbraw/zinc/92/69/52/179926952.db2.gz PZHOHYHUFHAJSC-UHFFFAOYSA-N 0 0 209.314 2.420 10 0 BEAERN CC(C)(C)N1c2ccccc2NC[C@H]1CCO ZINC000616586669 349401536 /nfs/dbraw/zinc/40/15/36/349401536.db2.gz VYVUTBPWXRBCRY-LLVKDONJSA-N 0 0 234.343 2.468 10 0 BEAERN CCC=NNC(=O)c1ccc(Cl)cc1 ZINC000257351798 349403281 /nfs/dbraw/zinc/40/32/81/349403281.db2.gz HENDKXKLWYLZOF-UHFFFAOYSA-N 0 0 210.664 2.466 10 0 BEAERN COC(=O)[C@@H]1CNc2ccccc2N1C(C)(C)C ZINC000616584974 349363608 /nfs/dbraw/zinc/36/36/08/349363608.db2.gz NUZOIOJJAGYMPT-LBPRGKRZSA-N 0 0 248.326 2.259 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1c1ccon1 ZINC000616585580 349370411 /nfs/dbraw/zinc/37/04/11/349370411.db2.gz NEYRFNLHDVGUIS-CYBMUJFWSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(C)c(CNc2ncns2)s1 ZINC000302624450 179914307 /nfs/dbraw/zinc/91/43/07/179914307.db2.gz FGGJUTUXZJUXBV-UHFFFAOYSA-N 0 0 226.330 2.224 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H](C)C(C)C)n1 ZINC000336772868 179915103 /nfs/dbraw/zinc/91/51/03/179915103.db2.gz YKXDIBAVBDUWTO-ZETCQYMHSA-N 0 0 211.284 2.111 10 0 BEAERN Cc1nc(C)n(-c2cccc(F)c2[C@H](C)O)n1 ZINC000041634013 179921340 /nfs/dbraw/zinc/92/13/40/179921340.db2.gz PHYVXTUZWKMOFG-ZETCQYMHSA-N 0 0 235.262 2.077 10 0 BEAERN Cc1nc(C)n(CCNc2cccc(F)c2)n1 ZINC000053541677 179922124 /nfs/dbraw/zinc/92/21/24/179922124.db2.gz NZNMVEFKONYXDI-UHFFFAOYSA-N 0 0 234.278 2.146 10 0 BEAERN O=c1[nH]sc2c1cc(F)c(F)c2F ZINC000725254258 538044829 /nfs/dbraw/zinc/04/48/29/538044829.db2.gz ZMUGCXNPKBQDQK-UHFFFAOYSA-N 0 0 205.160 2.419 10 0 BEAERN COc1cc(C=O)cc(F)c1Br ZINC000216865015 350019730 /nfs/dbraw/zinc/01/97/30/350019730.db2.gz NLGVDMLKHPTJCZ-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H]2C[C@H](c3ccccc3)C[N@@H+]2C1 ZINC000725254191 538043689 /nfs/dbraw/zinc/04/36/89/538043689.db2.gz RRBDDUVDLUPNRY-RDBSUJKOSA-N 0 0 245.322 2.339 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1c1ncco1 ZINC000616586907 349414916 /nfs/dbraw/zinc/41/49/16/349414916.db2.gz SBBARPXVQDDERI-GFCCVEGCSA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)(C)[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])CC[N@@H+]2C1 ZINC000725254185 538043806 /nfs/dbraw/zinc/04/38/06/538043806.db2.gz RGQCBUKICDKOIP-HBNTYKKESA-N 0 0 225.332 2.218 10 0 BEAERN Cc1cc(-c2ccccc2)c(N)c(=O)[nH]1 ZINC000309118981 350035844 /nfs/dbraw/zinc/03/58/44/350035844.db2.gz MSPRHYGMOLDPDT-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN Nc1cccnc1-c1ccc(Cl)cn1 ZINC000072204262 191004163 /nfs/dbraw/zinc/00/41/63/191004163.db2.gz SVUQCJRFEWCVGW-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Clc1nc(Cl)nc(C2CCC2)n1 ZINC000072193510 191004592 /nfs/dbraw/zinc/00/45/92/191004592.db2.gz GPGFMZQGQIWEAP-UHFFFAOYSA-N 0 0 204.060 2.446 10 0 BEAERN Cc1nc(N)sc1SCc1nccn1C ZINC000036903397 180001280 /nfs/dbraw/zinc/00/12/80/180001280.db2.gz PVLZAHFWEZYEAA-UHFFFAOYSA-N 0 0 240.357 2.060 10 0 BEAERN Cc1nc(NC(=O)N[C@H]2C[C@@H]2C)sc1C ZINC000075958513 180010058 /nfs/dbraw/zinc/01/00/58/180010058.db2.gz KNFOEEUZZPMUET-XNCJUZBTSA-N 0 0 225.317 2.290 10 0 BEAERN Cc1nc(N[C@H](C)[C@H](C)CO)sc1C ZINC000122084401 180024160 /nfs/dbraw/zinc/02/41/60/180024160.db2.gz DGVMKXUCNVVHJM-RNFRBKRXSA-N 0 0 214.334 2.189 10 0 BEAERN Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)no1 ZINC000336602758 180054293 /nfs/dbraw/zinc/05/42/93/180054293.db2.gz NPAJXKFMUUGRCB-LLVKDONJSA-N 0 0 249.314 2.232 10 0 BEAERN Cc1nc([C@H](N)c2cccc(C)c2C)no1 ZINC000049796259 180055199 /nfs/dbraw/zinc/05/51/99/180055199.db2.gz JRNCQSPZKHSDPP-LLVKDONJSA-N 0 0 217.272 2.043 10 0 BEAERN Cc1nc2c(cnn(-c3ccccc3)c2=O)s1 ZINC000006218994 180059998 /nfs/dbraw/zinc/05/99/98/180059998.db2.gz UTIMADXXQOHCMJ-UHFFFAOYSA-N 0 0 243.291 2.151 10 0 BEAERN Cc1nc2c(ccc(C=O)c2Cl)n1C ZINC000082376622 180063447 /nfs/dbraw/zinc/06/34/47/180063447.db2.gz PMYSBGAMVFDHEL-UHFFFAOYSA-N 0 0 208.648 2.348 10 0 BEAERN COC(C)(C)c1nnc(Br)s1 ZINC000230950344 350123291 /nfs/dbraw/zinc/12/32/91/350123291.db2.gz KOJGXZYVWSRXSS-UHFFFAOYSA-N 0 0 237.122 2.182 10 0 BEAERN Cc1ccc(CN(C)Cc2nc(C3CC3)no2)o1 ZINC000043999679 350125339 /nfs/dbraw/zinc/12/53/39/350125339.db2.gz RFONDORIYNAUGR-UHFFFAOYSA-N 0 0 247.298 2.480 10 0 BEAERN NCC(=O)c1cccc(OCc2ccccc2)c1 ZINC000091301821 191024758 /nfs/dbraw/zinc/02/47/58/191024758.db2.gz NZHJMNOFNNMRDX-UHFFFAOYSA-N 0 0 241.290 2.407 10 0 BEAERN O=C([O-])[C@H]1Cc2cc(Cl)cc(Cl)c2C[NH2+]1 ZINC000725255689 538053844 /nfs/dbraw/zinc/05/38/44/538053844.db2.gz IUUGAQQWHGRYCU-SECBINFHSA-N 0 0 246.093 2.092 10 0 BEAERN Cc1nc2c(ccc3c2S[C@@H](N)N3)s1 ZINC000211739385 180074586 /nfs/dbraw/zinc/07/45/86/180074586.db2.gz NEWATQNMDCEBKS-VIFPVBQESA-N 0 0 223.326 2.365 10 0 BEAERN CC(C)CCOc1ccc(-c2nc(N)n[nH]2)cc1 ZINC000725255931 538054396 /nfs/dbraw/zinc/05/43/96/538054396.db2.gz PUMCXWZCBWVICA-UHFFFAOYSA-N 0 0 246.314 2.479 10 0 BEAERN Cc1nc2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000001650221 180077585 /nfs/dbraw/zinc/07/75/85/180077585.db2.gz ZCYLCBAIXBVSAF-UHFFFAOYSA-N 0 0 228.173 2.250 10 0 BEAERN Cc1nc2cc(NC(N)=S)ccc2s1 ZINC000045237947 180081441 /nfs/dbraw/zinc/08/14/41/180081441.db2.gz YBZGFQMJZQQCKH-UHFFFAOYSA-N 0 0 223.326 2.260 10 0 BEAERN Cc1nc2cc(NC(=O)[C@H]3CCOC3)ccc2o1 ZINC000049353707 180081663 /nfs/dbraw/zinc/08/16/63/180081663.db2.gz GUDOWEAYQZPXJG-VIFPVBQESA-N 0 0 246.266 2.111 10 0 BEAERN Cc1nc2cc(N(C)C)c(N)cc2s1 ZINC000035342395 180082251 /nfs/dbraw/zinc/08/22/51/180082251.db2.gz UWVNTYAQIPUDFE-UHFFFAOYSA-N 0 0 207.302 2.253 10 0 BEAERN Cc1ccc(NC2=N[C@H](C)CS2)cn1 ZINC000128775179 350135312 /nfs/dbraw/zinc/13/53/12/350135312.db2.gz LZCGGMNRBKDZHY-MRVPVSSYSA-N 0 0 207.302 2.293 10 0 BEAERN Cc1nc2ccc(Cl)nn2c1Cl ZINC000299890401 180092574 /nfs/dbraw/zinc/09/25/74/180092574.db2.gz ZEIVREKJDAITOY-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN Cc1nc2ccc(NC3COC3)cc2s1 ZINC000076648364 180094021 /nfs/dbraw/zinc/09/40/21/180094021.db2.gz ULPHNABRSLAFLY-UHFFFAOYSA-N 0 0 220.297 2.415 10 0 BEAERN Cc1nc2ccc(OC[C@@H]3CO3)cc2s1 ZINC000045235975 180095988 /nfs/dbraw/zinc/09/59/88/180095988.db2.gz ZOPKMQMRUQGNPN-SECBINFHSA-N 0 0 221.281 2.382 10 0 BEAERN Cc1c(Cl)cccc1-c1nncn1C ZINC000220235786 350167451 /nfs/dbraw/zinc/16/74/51/350167451.db2.gz KWXLRKDAFRMBJM-UHFFFAOYSA-N 0 0 207.664 2.444 10 0 BEAERN Cc1ncc(N)cc1C(=O)Nc1cccc(F)c1 ZINC000038094848 180164055 /nfs/dbraw/zinc/16/40/55/180164055.db2.gz ZISLEPPKVWFSRQ-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1ncc2c(c1Br)CN(C)C2 ZINC000039110975 180175098 /nfs/dbraw/zinc/17/50/98/180175098.db2.gz RHSJLCYDCLRHNQ-UHFFFAOYSA-N 0 0 227.105 2.098 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000038095100 180164204 /nfs/dbraw/zinc/16/42/04/180164204.db2.gz HFHJCMSMDOUEQY-SKDRFNHKSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000038094881 180164635 /nfs/dbraw/zinc/16/46/35/180164635.db2.gz KCMLHVOPXXHBLV-NXEZZACHSA-N 0 0 247.342 2.090 10 0 BEAERN CC(C)C[C@@H](C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000363787975 191066842 /nfs/dbraw/zinc/06/68/42/191066842.db2.gz KKCPYIYUFHMHPZ-CHWSQXEVSA-N 0 0 241.375 2.290 10 0 BEAERN Cc1ncc(NC(=O)N[C@@H]2C[C@@H]2C)c(C2CC2)n1 ZINC000333407091 180168204 /nfs/dbraw/zinc/16/82/04/180168204.db2.gz FWDSDZXBJJSGDG-OIBJUYFYSA-N 0 0 246.314 2.192 10 0 BEAERN Cc1ncc(OCc2ccccc2)cn1 ZINC000116912669 180170040 /nfs/dbraw/zinc/17/00/40/180170040.db2.gz CNHFWVASMVDEQT-UHFFFAOYSA-N 0 0 200.241 2.364 10 0 BEAERN N[C@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000048632222 191070204 /nfs/dbraw/zinc/07/02/04/191070204.db2.gz GIYPQZJJERZOKW-CYBMUJFWSA-N 0 0 233.311 2.042 10 0 BEAERN CC[C@@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000043651547 350184039 /nfs/dbraw/zinc/18/40/39/350184039.db2.gz URZUCBXSIZETTK-RQJHMYQMSA-N 0 0 204.216 2.216 10 0 BEAERN Cc1nccn1-c1c(F)cc(N)cc1F ZINC000038040231 180228443 /nfs/dbraw/zinc/22/84/43/180228443.db2.gz FGCFMNLHMBFGKY-UHFFFAOYSA-N 0 0 209.199 2.041 10 0 BEAERN O=C1c2ccc(F)c(F)c2CC1(F)F ZINC000222663630 350247647 /nfs/dbraw/zinc/24/76/47/350247647.db2.gz POSRRTDZFSGTSX-UHFFFAOYSA-N 0 0 204.122 2.339 10 0 BEAERN O=C(OCc1ccccc1)[C@@H]1CCCC1=O ZINC000033961897 350251621 /nfs/dbraw/zinc/25/16/21/350251621.db2.gz FSJLARHYALYBBD-LLVKDONJSA-N 0 0 218.252 2.099 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000252204526 538085790 /nfs/dbraw/zinc/08/57/90/538085790.db2.gz WXNDMWQNSVWYEC-QCMRWSPLSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nccn1CCn1ccc2ccc(N)cc21 ZINC000049330476 180262809 /nfs/dbraw/zinc/26/28/09/180262809.db2.gz NTEIPQIQQCFQKI-UHFFFAOYSA-N 0 0 240.310 2.429 10 0 BEAERN Cc1nccn1CCOc1cccc(C=O)c1 ZINC000049330565 180263041 /nfs/dbraw/zinc/26/30/41/180263041.db2.gz RQMUGGHXTHIVLU-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN Cc1nccn1C[C@@H](O)c1cc(F)ccc1F ZINC000122298521 180265344 /nfs/dbraw/zinc/26/53/44/180265344.db2.gz MEJQJFKZQXBYJI-GFCCVEGCSA-N 0 0 238.237 2.203 10 0 BEAERN Cc1nccn1Cc1ccc(N)cc1Cl ZINC000049963476 180269557 /nfs/dbraw/zinc/26/95/57/180269557.db2.gz WVRJYZJPWJSDGB-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Cc1nccn2cc(C(F)(F)F)nc12 ZINC000066354240 180270768 /nfs/dbraw/zinc/27/07/68/180270768.db2.gz NCQAGUZXPJMIPF-UHFFFAOYSA-N 0 0 201.151 2.057 10 0 BEAERN O=C(Cn1cc(Cl)cn1)c1ccco1 ZINC000038053794 350300308 /nfs/dbraw/zinc/30/03/08/350300308.db2.gz CZWCMSVBWOILMW-UHFFFAOYSA-N 0 0 210.620 2.012 10 0 BEAERN O[C@@H]1CCCC[C@@H]1n1cc(Br)cn1 ZINC000038054721 350301050 /nfs/dbraw/zinc/30/10/50/350301050.db2.gz GJHKMCHQSPMGNB-DTWKUNHWSA-N 0 0 245.120 2.122 10 0 BEAERN O[C@H]1CCCC[C@H]1n1cc(Br)cn1 ZINC000038054718 350301109 /nfs/dbraw/zinc/30/11/09/350301109.db2.gz GJHKMCHQSPMGNB-BDAKNGLRSA-N 0 0 245.120 2.122 10 0 BEAERN Cc1csc(NCC[C@H]2CCCO2)n1 ZINC000038097460 350305453 /nfs/dbraw/zinc/30/54/53/350305453.db2.gz MDXSVSPTHZUBOD-SECBINFHSA-N 0 0 212.318 2.433 10 0 BEAERN Oc1ccc(S[C@H]2CCC[C@@H]2O)cc1 ZINC000038078942 350305794 /nfs/dbraw/zinc/30/57/94/350305794.db2.gz VPXWPXKMPGJCKX-QWRGUYRKSA-N 0 0 210.298 2.398 10 0 BEAERN O=C(Cc1cccc(F)c1)[C@@H]1CCCO1 ZINC000038126733 350308051 /nfs/dbraw/zinc/30/80/51/350308051.db2.gz RBOWGWYBRJRPMV-LBPRGKRZSA-N 0 0 208.232 2.116 10 0 BEAERN CCNC(=O)NC[C@H]1CCCc2ccccc2N1 ZINC000725262531 538088712 /nfs/dbraw/zinc/08/87/12/538088712.db2.gz DWDUVKBIZDVSMO-GFCCVEGCSA-N 0 0 247.342 2.123 10 0 BEAERN COC(=O)[C@H](C)Nc1ccccc1Cl ZINC000037854896 350288291 /nfs/dbraw/zinc/28/82/91/350288291.db2.gz UYMLSBUJSPCDNE-ZETCQYMHSA-N 0 0 213.664 2.313 10 0 BEAERN Cc1ncn(-c2ccc(F)cc2N)c1C ZINC000051925485 180285131 /nfs/dbraw/zinc/28/51/31/180285131.db2.gz YDAUSRXPNAUYCW-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1ncn(Cc2cc(F)ccc2N)c1C ZINC000051925954 180287044 /nfs/dbraw/zinc/28/70/44/180287044.db2.gz PLMNGEBLMWMMCU-UHFFFAOYSA-N 0 0 219.263 2.270 10 0 BEAERN Cc1ncsc1CN(C)C(=O)OC(C)C ZINC000127399398 180312012 /nfs/dbraw/zinc/31/20/12/180312012.db2.gz SVCLCFSXUAKYPK-UHFFFAOYSA-N 0 0 228.317 2.428 10 0 BEAERN CNC(=O)N1C[C@@H](c2cccs2)C[C@@H]1C ZINC000365525200 350330553 /nfs/dbraw/zinc/33/05/53/350330553.db2.gz PGPZDQNVUIJHET-IUCAKERBSA-N 0 0 224.329 2.265 10 0 BEAERN Cc1ccc(-c2csc(=NN)[nH]2)s1 ZINC000055278696 350371029 /nfs/dbraw/zinc/37/10/29/350371029.db2.gz UJHMLVSQPRJYIB-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN Cc1nn(-c2ccccc2)c2c1NC(=O)CS2 ZINC000020864569 180331269 /nfs/dbraw/zinc/33/12/69/180331269.db2.gz BYSMZIDRASAUCV-UHFFFAOYSA-N 0 0 245.307 2.225 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)NCCC1=CCCC1 ZINC000131517164 180335032 /nfs/dbraw/zinc/33/50/32/180335032.db2.gz ZWBXVCBTVFTJOY-UHFFFAOYSA-N 0 0 247.342 2.267 10 0 BEAERN Cc1ncsc1CN1[C@H](C)COC[C@H]1C ZINC000093607450 180317694 /nfs/dbraw/zinc/31/76/94/180317694.db2.gz OFQRVFFOALBTNK-RKDXNWHRSA-N 0 0 226.345 2.061 10 0 BEAERN Cc1nn(C)c(C)c1NCc1cncs1 ZINC000054770231 180343368 /nfs/dbraw/zinc/34/33/68/180343368.db2.gz UPRJCUPQGTZCMH-UHFFFAOYSA-N 0 0 222.317 2.106 10 0 BEAERN Cc1nn(C)c(C)c1N[C@H]1CCCSC1 ZINC000061571892 180345540 /nfs/dbraw/zinc/34/55/40/180345540.db2.gz IWPNKEBOZGISBX-JTQLQIEISA-N 0 0 225.361 2.344 10 0 BEAERN Cc1nn(C)c(C)c1[C@@H](O)c1ccccc1 ZINC000075870365 180347418 /nfs/dbraw/zinc/34/74/18/180347418.db2.gz UBJDLPVJHRZTBY-ZDUSSCGKSA-N 0 0 216.284 2.119 10 0 BEAERN Cc1nn(C)c(C)c1[C@H](O)c1ccccc1F ZINC000075872617 180349607 /nfs/dbraw/zinc/34/96/07/180349607.db2.gz FZFBVCHMBYHAOQ-CYBMUJFWSA-N 0 0 234.274 2.258 10 0 BEAERN Cc1nn(C)c(Cl)c1[C@@H](O)C(C)(C)C ZINC000000159507 180351661 /nfs/dbraw/zinc/35/16/61/180351661.db2.gz XRIVZVDONZHQSW-MRVPVSSYSA-N 0 0 216.712 2.461 10 0 BEAERN Cc1nn(C)c(N)c1-c1cc(F)cc(F)c1 ZINC000042321987 180352529 /nfs/dbraw/zinc/35/25/29/180352529.db2.gz DOCUBGNIPKPEPG-UHFFFAOYSA-N 0 0 223.226 2.256 10 0 BEAERN Cc1nn(C)c(N(CC(C)C)C2CC2)c1C=O ZINC000042557772 180352583 /nfs/dbraw/zinc/35/25/83/180352583.db2.gz IHRNUUWPXCZOQT-UHFFFAOYSA-N 0 0 235.331 2.166 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H](C)C(C)(C)C)c1CO ZINC000042772308 180352807 /nfs/dbraw/zinc/35/28/07/180352807.db2.gz HFDRYGIVHVHTNK-JTQLQIEISA-N 0 0 239.363 2.092 10 0 BEAERN Cc1nn(C)c(N2C[C@H](C)C[C@H](C)C2)c1C=O ZINC000034957023 180356162 /nfs/dbraw/zinc/35/61/62/180356162.db2.gz YGDRUXYEOWARRL-AOOOYVTPSA-N 0 0 235.331 2.023 10 0 BEAERN Cc1nn(C)c(N2CCc3ccccc32)c1C=O ZINC000034957022 180356985 /nfs/dbraw/zinc/35/69/85/180356985.db2.gz JVOJVNMSXVTRHB-UHFFFAOYSA-N 0 0 241.294 2.235 10 0 BEAERN Cc1nn(C)c(N2C[C@H](C)C[C@@H](C)C2)c1C=O ZINC000034957025 180357060 /nfs/dbraw/zinc/35/70/60/180357060.db2.gz YGDRUXYEOWARRL-NXEZZACHSA-N 0 0 235.331 2.023 10 0 BEAERN Cc1nn(C)c(N2c3ccccc3C[C@@H]2C)c1N ZINC000036748945 180357438 /nfs/dbraw/zinc/35/74/38/180357438.db2.gz HVCMXMBIZIZEKX-VIFPVBQESA-N 0 0 242.326 2.393 10 0 BEAERN CCOC(=O)c1nn(CC)c(N)c1[C@@H](C)CC ZINC000725265372 538092194 /nfs/dbraw/zinc/09/21/94/538092194.db2.gz POQLHCPAQOVOPK-QMMMGPOBSA-N 0 0 239.319 2.175 10 0 BEAERN CCCCC(=O)Nc1ncc(C(C)=O)s1 ZINC000118631284 168628772 /nfs/dbraw/zinc/62/87/72/168628772.db2.gz STCAQSLSDSOKRU-UHFFFAOYSA-N 0 0 226.301 2.474 10 0 BEAERN O=C1CCN(CCc2ccc(Cl)s2)C1 ZINC000226363890 350424146 /nfs/dbraw/zinc/42/41/46/350424146.db2.gz KEGDFZDLHJQLBM-UHFFFAOYSA-N 0 0 229.732 2.219 10 0 BEAERN S=C1N=NC(c2cnccn2)N1C1CCCC1 ZINC000725265521 538092854 /nfs/dbraw/zinc/09/28/54/538092854.db2.gz GUBSRDSHARHUMW-UHFFFAOYSA-N 0 0 247.327 2.139 10 0 BEAERN CC(C)C(=O)NCCc1ccc2c(c1)CCCN2 ZINC000725265014 538092865 /nfs/dbraw/zinc/09/28/65/538092865.db2.gz QWHCKWAIAUASMO-UHFFFAOYSA-N 0 0 246.354 2.359 10 0 BEAERN Cc1nn(C)c2c1[C@H](O)C[C@@H](c1ccccc1)C2 ZINC000072415946 180361703 /nfs/dbraw/zinc/36/17/03/180361703.db2.gz YFCQUNMUPSGZLO-GXTWGEPZSA-N 0 0 242.322 2.492 10 0 BEAERN Cc1nn(C)c(Oc2ccc(F)cc2F)c1N ZINC000036749456 180361821 /nfs/dbraw/zinc/36/18/21/180361821.db2.gz NXZAWARKCBPGEF-UHFFFAOYSA-N 0 0 239.225 2.381 10 0 BEAERN Cc1nn(C)c2c1cncc2Br ZINC000082360180 180362201 /nfs/dbraw/zinc/36/22/01/180362201.db2.gz ZRRVXHMKNXCOLP-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN Cc1nn(C)c2nc3ccccc3c(N)c12 ZINC000022200072 180362693 /nfs/dbraw/zinc/36/26/93/180362693.db2.gz UGMCTGCAKHRACF-UHFFFAOYSA-N 0 0 212.256 2.012 10 0 BEAERN CC(C)[C@@H]1CCCN1c1ncc(N)s1 ZINC000226746158 350451799 /nfs/dbraw/zinc/45/17/99/350451799.db2.gz GSERNDICPWRVRR-QMMMGPOBSA-N 0 0 211.334 2.350 10 0 BEAERN CC(=O)c1cnc(NC(=O)[C@H]2CC2(C)C)s1 ZINC000133051296 191104392 /nfs/dbraw/zinc/10/43/92/191104392.db2.gz CCHCKMFIOHUTRV-SSDOTTSWSA-N 0 0 238.312 2.330 10 0 BEAERN CNc1cccc([C@@H]2CCN(C(C)=O)CCO2)c1 ZINC000616592402 350461209 /nfs/dbraw/zinc/46/12/09/350461209.db2.gz DUWXLKQRZIAVEW-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CCO/C=C\C(=O)C(F)(F)C(F)(F)F ZINC000033920932 350461600 /nfs/dbraw/zinc/46/16/00/350461600.db2.gz GJLCTHUCEKDZCK-ARJAWSKDSA-N 0 0 218.121 2.303 10 0 BEAERN CCOC(=O)c1cc2c(ccn2C(C)=O)c(O)c1 ZINC000014983558 350440788 /nfs/dbraw/zinc/44/07/88/350440788.db2.gz HFTKRVVJTGSFFZ-UHFFFAOYSA-N 0 0 247.250 2.184 10 0 BEAERN CC(C)N1Cc2cccc(N)c2NC1=O ZINC000034502494 350470009 /nfs/dbraw/zinc/47/00/09/350470009.db2.gz KBVKVOFLLBRISM-UHFFFAOYSA-N 0 0 205.261 2.025 10 0 BEAERN Cc1nn(C)cc1NCc1ccccc1F ZINC000020350353 180378072 /nfs/dbraw/zinc/37/80/72/180378072.db2.gz BNDLBIDAJWUSAM-UHFFFAOYSA-N 0 0 219.263 2.480 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1CCCC12CCOCC2 ZINC000306063766 180378187 /nfs/dbraw/zinc/37/81/87/180378187.db2.gz XTXJNFDNSBPTAO-CYBMUJFWSA-N 0 0 249.358 2.490 10 0 BEAERN CCn1ccn2ncc(-c3ccncc3)c12 ZINC000409437197 350480442 /nfs/dbraw/zinc/48/04/42/350480442.db2.gz DEZZOUUQIWZOOY-UHFFFAOYSA-N 0 0 212.256 2.218 10 0 BEAERN CCCn1c(=O)[nH]c(=O)cc1-c1cccs1 ZINC000409438698 350481223 /nfs/dbraw/zinc/48/12/23/350481223.db2.gz NSQIGRLBYVMGLL-UHFFFAOYSA-N 0 0 236.296 2.087 10 0 BEAERN OCn1nc(-c2ccsc2)cc1C1CC1 ZINC000409439264 350481477 /nfs/dbraw/zinc/48/14/77/350481477.db2.gz HTUMPCRRSAGYLB-UHFFFAOYSA-N 0 0 220.297 2.439 10 0 BEAERN Cc1nnc(-c2ccccc2N)n1C(C)C ZINC000042031009 180396107 /nfs/dbraw/zinc/39/61/07/180396107.db2.gz YBIKAFVHGKEUAJ-UHFFFAOYSA-N 0 0 216.288 2.417 10 0 BEAERN Cc1nn(CC(F)(F)C(F)F)c(C)c1C=O ZINC000020348925 180386102 /nfs/dbraw/zinc/38/61/02/180386102.db2.gz XCUIMIVUODJNFC-UHFFFAOYSA-N 0 0 238.184 2.213 10 0 BEAERN Cc1nn(C[C@H](O)c2ccc(N)cc2)c(C)c1C ZINC000051324822 180390400 /nfs/dbraw/zinc/39/04/00/180390400.db2.gz JFCDIQQXDYHFNE-AWEZNQCLSA-N 0 0 245.326 2.124 10 0 BEAERN Cn1ncc2cncc(-c3cccc(N)c3)c21 ZINC000725266078 538094404 /nfs/dbraw/zinc/09/44/04/538094404.db2.gz KMLGBYSSGHJBAM-UHFFFAOYSA-N 0 0 224.267 2.218 10 0 BEAERN CNc1nc([C@@H]2SCCS[C@@H]2C)ns1 ZINC000228193837 350533027 /nfs/dbraw/zinc/53/30/27/350533027.db2.gz LGTHDQULTDTLCZ-PHDIDXHHSA-N 0 0 247.414 2.489 10 0 BEAERN CC(C)N1C(=S)N=NC1c1cscn1 ZINC000228204311 350533556 /nfs/dbraw/zinc/53/35/56/350533556.db2.gz DBVFSCXOSAHFPA-UHFFFAOYSA-N 0 0 226.330 2.271 10 0 BEAERN CCCn1cnnc1-c1scnc1C ZINC000228235802 350534575 /nfs/dbraw/zinc/53/45/75/350534575.db2.gz RQEQBXJCDFNTNH-UHFFFAOYSA-N 0 0 208.290 2.120 10 0 BEAERN CCOC(=O)c1n[nH]nc1C1C(C)(C)C1(C)C ZINC000725266565 538095125 /nfs/dbraw/zinc/09/51/25/538095125.db2.gz OJVKEEBMZWMFAM-UHFFFAOYSA-N 0 0 237.303 2.131 10 0 BEAERN CC(C)c1nnc(CN2[C@H](C)CC[C@H]2C)n1C ZINC000177095161 365970744 /nfs/dbraw/zinc/97/07/44/365970744.db2.gz VNDZRPPBLJFPNL-GHMZBOCLSA-N 0 0 236.363 2.311 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+]CC1CCC(C)CC1 ZINC000063145609 350573479 /nfs/dbraw/zinc/57/34/79/350573479.db2.gz GTVKWNPYSNDVEB-HSOILSAZSA-N 0 0 213.321 2.266 10 0 BEAERN O=Cc1cccc(-c2cncc3c[nH]nc32)c1 ZINC000725266174 538095484 /nfs/dbraw/zinc/09/54/84/538095484.db2.gz UHBWVLOWCCBWHP-UHFFFAOYSA-N 0 0 223.235 2.437 10 0 BEAERN Cc1ccc(C(=O)[C@H](C)SCCO)cc1 ZINC000037352824 362966879 /nfs/dbraw/zinc/96/68/79/362966879.db2.gz OQMSTKUGQTXIED-JTQLQIEISA-N 0 0 224.325 2.292 10 0 BEAERN CC1(Nc2nc(Cl)nc(Cl)n2)CC1 ZINC000228910523 350561675 /nfs/dbraw/zinc/56/16/75/350561675.db2.gz CYEPFHGFYAXQNV-UHFFFAOYSA-N 0 0 219.075 2.143 10 0 BEAERN CN1CCC(O)(c2sccc2Cl)CC1 ZINC000229922959 350590226 /nfs/dbraw/zinc/59/02/26/350590226.db2.gz ZOTOGFFOJSZFGO-UHFFFAOYSA-N 0 0 231.748 2.315 10 0 BEAERN CC(=O)N1CCO[C@H](c2cccc(F)c2)CC1 ZINC000616594136 350592225 /nfs/dbraw/zinc/59/22/25/350592225.db2.gz OHNURQSCQAHFHZ-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1c1cocn1 ZINC000616595578 350609307 /nfs/dbraw/zinc/60/93/07/350609307.db2.gz WCKYVQGYHSEKAQ-AWEZNQCLSA-N 0 0 244.294 2.161 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1c1cnoc1 ZINC000616595668 350610239 /nfs/dbraw/zinc/61/02/39/350610239.db2.gz WUEYQHHJZSUIGA-AWEZNQCLSA-N 0 0 244.294 2.161 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H]1CCC[C@@H](C)C1 ZINC000725266626 538096718 /nfs/dbraw/zinc/09/67/18/538096718.db2.gz WHPPJVBXNCANHM-BDAKNGLRSA-N 0 0 237.303 2.275 10 0 BEAERN CCCCCc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266623 538096900 /nfs/dbraw/zinc/09/69/00/538096900.db2.gz WAFMNJCANICFQM-UHFFFAOYSA-N 0 0 239.319 2.493 10 0 BEAERN Cc1noc(-c2ccc3c(c2)CCN3)n1 ZINC000036895647 180459761 /nfs/dbraw/zinc/45/97/61/180459761.db2.gz YOVALECRUMXSJY-UHFFFAOYSA-N 0 0 201.229 2.013 10 0 BEAERN Cc1ccccc1[C@@H](c1nn[nH]n1)C(C)C ZINC000095344059 350658185 /nfs/dbraw/zinc/65/81/85/350658185.db2.gz XGKQZJFJSHATKU-NSHDSACASA-N 0 0 216.288 2.296 10 0 BEAERN COc1cccc2nc([C@@H]3CCOC3)c(O)cc21 ZINC000725267419 538098518 /nfs/dbraw/zinc/09/85/18/538098518.db2.gz GAQGXBKADJFQCY-SECBINFHSA-N 0 0 245.278 2.453 10 0 BEAERN COc1cccnc1[C@]1(C)CCC(=O)C1 ZINC000235117276 350711985 /nfs/dbraw/zinc/71/19/85/350711985.db2.gz UVWWIDOPRUOYLI-GFCCVEGCSA-N 0 0 205.257 2.101 10 0 BEAERN CCOC(=O)N1CCCOC[C@@H]1C(C)(C)C ZINC000616599099 350715120 /nfs/dbraw/zinc/71/51/20/350715120.db2.gz HSLPBKOSCGPPDQ-SNVBAGLBSA-N 0 0 229.320 2.280 10 0 BEAERN Clc1cc([C@H]2CCOC2)nc(Cl)n1 ZINC000159493483 350764972 /nfs/dbraw/zinc/76/49/72/350764972.db2.gz KUKNDTOZDLYYLU-YFKPBYRVSA-N 0 0 219.071 2.287 10 0 BEAERN Cc1nccc(I)c1F ZINC000238490618 350768691 /nfs/dbraw/zinc/76/86/91/350768691.db2.gz RABDKFZPUIMIPE-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN COC(C)(C)c1nc2ccccc2cc1NN ZINC000725267960 538099485 /nfs/dbraw/zinc/09/94/85/538099485.db2.gz DCXMTDABOIGQPT-UHFFFAOYSA-N 0 0 231.299 2.402 10 0 BEAERN CCN1CCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616602498 350791622 /nfs/dbraw/zinc/79/16/22/350791622.db2.gz KODCMXPTPSCRMX-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN CC(=O)N1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000616602422 350791934 /nfs/dbraw/zinc/79/19/34/350791934.db2.gz RLEUCKKAKIPDFR-GFCCVEGCSA-N 0 0 239.702 2.260 10 0 BEAERN CC(=O)N1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616603863 350795886 /nfs/dbraw/zinc/79/58/86/350795886.db2.gz XJZTZWKNBDMDLU-ZDUSSCGKSA-N 0 0 232.327 2.385 10 0 BEAERN COC(=O)N1CCC[C@H]1c1ccc(CCO)cc1 ZINC000616606766 350798110 /nfs/dbraw/zinc/79/81/10/350798110.db2.gz IZCGYURPFZBZOM-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN CNc1ccccc1[C@@H]1CCCN1C(C)=O ZINC000616610094 350807739 /nfs/dbraw/zinc/80/77/39/350807739.db2.gz MVULQPJJOPNSEV-ZDUSSCGKSA-N 0 0 218.300 2.412 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000616611536 350809100 /nfs/dbraw/zinc/80/91/00/350809100.db2.gz GPXBNFZERZPTTD-MRVPVSSYSA-N 0 0 224.691 2.208 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](n2ccnc2)C1 ZINC000616611225 350810140 /nfs/dbraw/zinc/81/01/40/350810140.db2.gz DSCRZPPVAXNEDR-SNVBAGLBSA-N 0 0 237.303 2.065 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cccnn2)C1 ZINC000616611351 350810660 /nfs/dbraw/zinc/81/06/60/350810660.db2.gz IMBKRVSRURUUMP-SNVBAGLBSA-N 0 0 249.314 2.201 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ccncn1 ZINC000616611363 350810706 /nfs/dbraw/zinc/81/07/06/350810706.db2.gz BDUGKHGFXCSCDR-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1nc(C)ns1 ZINC000306676712 350829289 /nfs/dbraw/zinc/82/92/89/350829289.db2.gz WWTUNJGLAVENJV-RNFRBKRXSA-N 0 0 215.347 2.152 10 0 BEAERN Cn1cc(Cl)cc1CNc1ncns1 ZINC000306677410 350830955 /nfs/dbraw/zinc/83/09/55/350830955.db2.gz YSFSVSJXCIZKSB-UHFFFAOYSA-N 0 0 228.708 2.142 10 0 BEAERN Cc1csc([C@@H](O)Cc2ccoc2)n1 ZINC000159518798 350836426 /nfs/dbraw/zinc/83/64/26/350836426.db2.gz GBOVMLJYBRAOPR-VIFPVBQESA-N 0 0 209.270 2.321 10 0 BEAERN O[C@@H](c1ccsn1)c1ccncc1Cl ZINC000306682467 350838661 /nfs/dbraw/zinc/83/86/61/350838661.db2.gz RJSWSGDODJDUTK-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cnco2)C1 ZINC000616617442 350868045 /nfs/dbraw/zinc/86/80/45/350868045.db2.gz XSUSFTDOEOYDKH-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN O=C1CCSc2c(Cl)cncc2N1 ZINC000306685054 350842116 /nfs/dbraw/zinc/84/21/16/350842116.db2.gz DOYPAUMZHYJHEM-UHFFFAOYSA-N 0 0 214.677 2.169 10 0 BEAERN NC(=O)N1CCCC[C@@H]1c1ccccc1F ZINC000616614951 350843737 /nfs/dbraw/zinc/84/37/37/350843737.db2.gz NEWGISMBARWNSP-LLVKDONJSA-N 0 0 222.263 2.431 10 0 BEAERN COc1cccc([C@H]2CCCCN2C(N)=O)c1 ZINC000616614975 350844143 /nfs/dbraw/zinc/84/41/43/350844143.db2.gz NWYGDBCZWUCMDH-GFCCVEGCSA-N 0 0 234.299 2.301 10 0 BEAERN CC(C)(C)OC(=O)NCCN1CCCC[C@H]1F ZINC000616616424 350855358 /nfs/dbraw/zinc/85/53/58/350855358.db2.gz NYEKOOFCZFCHPQ-JTQLQIEISA-N 0 0 246.326 2.293 10 0 BEAERN CC[S@](C)(=O)=Nc1ccc(C)c(N)c1 ZINC000306709024 350855907 /nfs/dbraw/zinc/85/59/07/350855907.db2.gz OSCIYRKSAUQWQC-AWEZNQCLSA-N 0 0 212.318 2.326 10 0 BEAERN Nc1c(F)c(O)ccc1OC(F)(F)F ZINC000306707693 350855986 /nfs/dbraw/zinc/85/59/86/350855986.db2.gz RSFPMMNAXLZMIF-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CO[C@@H](C)CNc1cnc(Cl)cc1C ZINC000306708084 350856885 /nfs/dbraw/zinc/85/68/85/350856885.db2.gz NRHWERIXZQKOHK-QMMMGPOBSA-N 0 0 214.696 2.490 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000616616975 350859496 /nfs/dbraw/zinc/85/94/96/350859496.db2.gz CUMGTLCAJLXYHS-GFCCVEGCSA-N 0 0 234.299 2.418 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccno2)C1 ZINC000616617020 350859556 /nfs/dbraw/zinc/85/95/56/350859556.db2.gz BIIBJXFURDAVQZ-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccc(CO)cc2)C1 ZINC000616617082 350861131 /nfs/dbraw/zinc/86/11/31/350861131.db2.gz FPHBOMOSQRIQPP-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN Cc1nsc(N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000271328269 180517753 /nfs/dbraw/zinc/51/77/53/180517753.db2.gz LHJUTWZSLRBTFK-JTQLQIEISA-N 0 0 249.343 2.301 10 0 BEAERN CCON[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000306727931 350898586 /nfs/dbraw/zinc/89/85/86/350898586.db2.gz MZEFPICFRQAWPS-OCCSQVGLSA-N 0 0 234.343 2.191 10 0 BEAERN CC(C)(C)C[C@@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000725267918 538099709 /nfs/dbraw/zinc/09/97/09/538099709.db2.gz BYYSOWRDOIFWTN-QWHCGFSZSA-N 0 0 234.343 2.403 10 0 BEAERN O[C@@H](c1cnns1)c1ccsc1Cl ZINC000306737383 350907324 /nfs/dbraw/zinc/90/73/24/350907324.db2.gz YYLIUFIVOOVKAU-ZCFIWIBFSA-N 0 0 232.717 2.335 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000251956342 350907462 /nfs/dbraw/zinc/90/74/62/350907462.db2.gz XFZQLRGEXKSAOV-OUAUKWLOSA-N 0 0 213.321 2.216 10 0 BEAERN Nc1cc(O)c(OC(F)(F)F)c(F)c1 ZINC000306745470 350933631 /nfs/dbraw/zinc/93/36/31/350933631.db2.gz JPGAXMWBVOLQNH-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN NN[C@H](c1sccc1F)C1CCC1 ZINC000306711081 350871417 /nfs/dbraw/zinc/87/14/17/350871417.db2.gz XFBUGJDHANJDJB-QMMMGPOBSA-N 0 0 200.282 2.192 10 0 BEAERN Cc1oc2ccccc2c(=O)c1-n1ccnc1 ZINC000039114493 180534013 /nfs/dbraw/zinc/53/40/13/180534013.db2.gz JRDDOPKELDQKCE-UHFFFAOYSA-N 0 0 226.235 2.287 10 0 BEAERN CCC(=O)Nc1onc(CC)c1Br ZINC000306714908 350876130 /nfs/dbraw/zinc/87/61/30/350876130.db2.gz RGQZYSCKHKEECR-UHFFFAOYSA-N 0 0 247.092 2.348 10 0 BEAERN Nc1nccnc1SCC=C1CCC1 ZINC000306718067 350878131 /nfs/dbraw/zinc/87/81/31/350878131.db2.gz WBJDGLSQAIRPCG-UHFFFAOYSA-N 0 0 207.302 2.261 10 0 BEAERN COc1cc(O)cc(Br)c1F ZINC000215838180 350882009 /nfs/dbraw/zinc/88/20/09/350882009.db2.gz FYYLGVSAZZTAOK-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN COc1ccc2c(c1)N[C@@H](C1CCC1)[C@@H](O)C2 ZINC000725268017 538099702 /nfs/dbraw/zinc/09/97/02/538099702.db2.gz FPJJUJCQGCKBBJ-KBPBESRZSA-N 0 0 233.311 2.193 10 0 BEAERN C[C@H]1SCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000306721691 350888768 /nfs/dbraw/zinc/88/87/68/350888768.db2.gz FCKWUZITQSBCBV-RQJHMYQMSA-N 0 0 229.736 2.436 10 0 BEAERN O=c1[nH]nc(Cl)cc1C1=CCCCC1 ZINC000306723750 350890983 /nfs/dbraw/zinc/89/09/83/350890983.db2.gz HOLYEMPAUFJUJL-UHFFFAOYSA-N 0 0 210.664 2.381 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000251230459 350893606 /nfs/dbraw/zinc/89/36/06/350893606.db2.gz QDPWJZWIAVRMET-GMTAPVOTSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@H](CO)Nc1ccc(F)c(Br)c1 ZINC000306725960 350897352 /nfs/dbraw/zinc/89/73/52/350897352.db2.gz LJJNKUVABHBRAO-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN C[C@](O)(Cc1cncs1)c1ccoc1 ZINC000159679592 350963251 /nfs/dbraw/zinc/96/32/51/350963251.db2.gz YMSKIYXENKJFPW-JTQLQIEISA-N 0 0 209.270 2.186 10 0 BEAERN Cc1ncoc1-c1nnc(Br)s1 ZINC000159680919 350963475 /nfs/dbraw/zinc/96/34/75/350963475.db2.gz IOAGDKZVFRNFFF-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN O=Cc1cnc(C[C@@H]2CCCCO2)s1 ZINC000129043082 350964492 /nfs/dbraw/zinc/96/44/92/350964492.db2.gz LXQPFOTZCSIARW-QMMMGPOBSA-N 0 0 211.286 2.067 10 0 BEAERN O=C(Cc1cncs1)[C@@H]1CSCCS1 ZINC000159694249 350974533 /nfs/dbraw/zinc/97/45/33/350974533.db2.gz JRTSUESLDCRIAI-VIFPVBQESA-N 0 0 245.394 2.103 10 0 BEAERN NNc1cc2ccccc2nc1[C@@H]1CCOC1 ZINC000725268096 538099724 /nfs/dbraw/zinc/09/97/24/538099724.db2.gz JOCYJRLWOWVXGE-SNVBAGLBSA-N 0 0 229.283 2.024 10 0 BEAERN C[C@H]1CCCC[C@]1(O)c1cnc(N)s1 ZINC000159793659 350997624 /nfs/dbraw/zinc/99/76/24/350997624.db2.gz AAWCPEOQDSSRSW-OIBJUYFYSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@H]1CCCC[C@@]1(O)c1cnc(N)s1 ZINC000159793923 350997663 /nfs/dbraw/zinc/99/76/63/350997663.db2.gz AAWCPEOQDSSRSW-XVKPBYJWSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@@H]1CS[C@@H](c2cc(O)cc(F)c2)N1 ZINC000159776647 350999356 /nfs/dbraw/zinc/99/93/56/350999356.db2.gz XRPFUPPGALWBFA-LDWIPMOCSA-N 0 0 213.277 2.255 10 0 BEAERN COC(=O)c1cn(CCC2CCCCC2)nn1 ZINC000222688908 351006175 /nfs/dbraw/zinc/00/61/75/351006175.db2.gz JWRWFBVBHXRJRB-UHFFFAOYSA-N 0 0 237.303 2.035 10 0 BEAERN COc1ccccc1[C@H]1CCCN(C(C)=O)C1 ZINC000616620868 350945114 /nfs/dbraw/zinc/94/51/14/350945114.db2.gz MXPMBNBNVDNUNR-LBPRGKRZSA-N 0 0 233.311 2.421 10 0 BEAERN Cc1csc(Cc2cnc(N)s2)n1 ZINC000159885137 351021814 /nfs/dbraw/zinc/02/18/14/351021814.db2.gz RGTAZNMUDIVPMU-UHFFFAOYSA-N 0 0 211.315 2.081 10 0 BEAERN C[C@H](Nc1cncc(N)c1)C(C)(F)F ZINC000306784452 351035390 /nfs/dbraw/zinc/03/53/90/351035390.db2.gz MDCMUEDWMLWVAW-LURJTMIESA-N 0 0 201.220 2.119 10 0 BEAERN O=Cc1c(F)c(F)ccc1OC(F)F ZINC000306785329 351037713 /nfs/dbraw/zinc/03/77/13/351037713.db2.gz NJGNYZIFXLIQAX-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN O=C(C(F)F)N1CCC(Cl)=C(Cl)C1 ZINC000306788621 351038417 /nfs/dbraw/zinc/03/84/17/351038417.db2.gz RYHUTMNVCXSYCT-UHFFFAOYSA-N 0 0 230.041 2.173 10 0 BEAERN Cc1onc(N)c1-c1ccc2c(c1)OCCO2 ZINC000082546311 180552468 /nfs/dbraw/zinc/55/24/68/180552468.db2.gz VRRZFAWECHDUGZ-UHFFFAOYSA-N 0 0 232.239 2.003 10 0 BEAERN Cc1onc2c1c(-c1cccc(F)c1)n[nH]c2=O ZINC000049453857 180553116 /nfs/dbraw/zinc/55/31/16/180553116.db2.gz XCWYCSBNMOEJTQ-UHFFFAOYSA-N 0 0 245.213 2.026 10 0 BEAERN C[C@@H]1CC[C@@H](n2cc(C=O)nn2)C[C@H]1C ZINC000251968224 362999486 /nfs/dbraw/zinc/99/94/86/362999486.db2.gz XZJABTICCBUPTO-FXPVBKGRSA-N 0 0 207.277 2.088 10 0 BEAERN COc1cnc([C@@H]2CC[C@@H](C)O2)nc1Cl ZINC000306807072 351059259 /nfs/dbraw/zinc/05/92/59/351059259.db2.gz LMPCGJKBHXPJBK-RQJHMYQMSA-N 0 0 228.679 2.379 10 0 BEAERN C[S@@](=O)Nc1ccccc1Br ZINC000306809926 351064025 /nfs/dbraw/zinc/06/40/25/351064025.db2.gz SSFMLGSCZNMBBR-LLVKDONJSA-N 0 0 234.118 2.155 10 0 BEAERN Cc1sccc1[C@@H](C(=O)[O-])[NH+]1CCCC1 ZINC000306810391 351064297 /nfs/dbraw/zinc/06/42/97/351064297.db2.gz UIXMMLNVKLPWCF-JTQLQIEISA-N 0 0 225.313 2.278 10 0 BEAERN Cc1sc(C(=O)N2CCCCC2)cc1N ZINC000040292842 180556077 /nfs/dbraw/zinc/55/60/77/180556077.db2.gz RMOCGFMAEBKRPV-UHFFFAOYSA-N 0 0 224.329 2.265 10 0 BEAERN Cc1sc(C(=O)N(C)C(C)C)cc1N ZINC000040292703 180556246 /nfs/dbraw/zinc/55/62/46/180556246.db2.gz WMQDNIAXIDBCFO-UHFFFAOYSA-N 0 0 212.318 2.119 10 0 BEAERN CC(=O)N1CCC[C@@H](c2ccc(N)cc2)CC1 ZINC000616629649 351100958 /nfs/dbraw/zinc/10/09/58/351100958.db2.gz YZVSWAKKTOXEPE-GFCCVEGCSA-N 0 0 232.327 2.385 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccccn2)CC1 ZINC000616630024 351101784 /nfs/dbraw/zinc/10/17/84/351101784.db2.gz OCMPRSTXZDADRU-NSHDSACASA-N 0 0 234.299 2.418 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccno2)CC1 ZINC000616630750 351103320 /nfs/dbraw/zinc/10/33/20/351103320.db2.gz WYZUBABAHSRDHL-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN COC(=O)N1CCCC[C@H](Nc2ccccn2)C1 ZINC000616630583 351103964 /nfs/dbraw/zinc/10/39/64/351103964.db2.gz ZPRHDFJPOWSUII-NSHDSACASA-N 0 0 249.314 2.114 10 0 BEAERN CC(=O)N1CCC[C@@H](c2ccccn2)CC1 ZINC000616626861 351107237 /nfs/dbraw/zinc/10/72/37/351107237.db2.gz FXZCLAKWYZWXTG-GFCCVEGCSA-N 0 0 218.300 2.198 10 0 BEAERN COc1ccccc1[C@H]1CCOC(=O)C1 ZINC000107147344 351068741 /nfs/dbraw/zinc/06/87/41/351068741.db2.gz SIZYCRUKJBUDBS-VIFPVBQESA-N 0 0 206.241 2.116 10 0 BEAERN Cc1cocc1[C@H](O)[C@@H]1CSCCS1 ZINC000306811164 351077980 /nfs/dbraw/zinc/07/79/80/351077980.db2.gz WDDIIIYYJDJHIL-UWVGGRQHSA-N 0 0 230.354 2.470 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)CC[C@H]1CCCO1 ZINC000306815735 351083796 /nfs/dbraw/zinc/08/37/96/351083796.db2.gz DBGJQIYACCUKLK-MXWKQRLJSA-N 0 0 216.346 2.060 10 0 BEAERN CNc1cccc([C@H]2CCCN(C(C)=O)C2)c1 ZINC000616621905 351084763 /nfs/dbraw/zinc/08/47/63/351084763.db2.gz UOGMOWPHELSZPE-ZDUSSCGKSA-N 0 0 232.327 2.454 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ccnc(N)c1 ZINC000616622722 351086088 /nfs/dbraw/zinc/08/60/88/351086088.db2.gz OTUCOXIEXXUYOY-LLVKDONJSA-N 0 0 249.314 2.178 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1ccno1 ZINC000616622382 351086172 /nfs/dbraw/zinc/08/61/72/351086172.db2.gz CMHGSPHICQQMEA-JTQLQIEISA-N 0 0 208.261 2.138 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ncco1 ZINC000616622942 351087651 /nfs/dbraw/zinc/08/76/51/351087651.db2.gz IAZBONCBPHIDQM-VIFPVBQESA-N 0 0 224.260 2.358 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1ccccc1CO ZINC000616624465 351092196 /nfs/dbraw/zinc/09/21/96/351092196.db2.gz OCPJREAVCMBGAL-CYBMUJFWSA-N 0 0 248.326 2.175 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1ncco1 ZINC000616625321 351094011 /nfs/dbraw/zinc/09/40/11/351094011.db2.gz YXGBGGOSOPFOEW-SNVBAGLBSA-N 0 0 208.261 2.138 10 0 BEAERN CC(=O)N1CCCC[C@H](c2ccccc2CO)C1 ZINC000616627593 351095661 /nfs/dbraw/zinc/09/56/61/351095661.db2.gz LNUJYWMEETXYRF-ZDUSSCGKSA-N 0 0 247.338 2.295 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616627658 351095715 /nfs/dbraw/zinc/09/57/15/351095715.db2.gz KFQNCQYFZHQWBT-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN O=c1cc[nH]n1Cc1cccc(Cl)c1 ZINC000159947267 351125380 /nfs/dbraw/zinc/12/53/80/351125380.db2.gz UJIDCPWSQLKEON-UHFFFAOYSA-N 0 0 208.648 2.290 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2cccc(CO)c2)C1 ZINC000616628268 351097524 /nfs/dbraw/zinc/09/75/24/351097524.db2.gz IMRXVTQVAKCSDI-OAHLLOKOSA-N 0 0 247.338 2.295 10 0 BEAERN Cc1nccn1-c1ccncc1Br ZINC000159968323 351146135 /nfs/dbraw/zinc/14/61/35/351146135.db2.gz OVDWGQAEBHPAMY-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CNc1nc(Cl)nc2c(F)cccc12 ZINC000129343098 351150234 /nfs/dbraw/zinc/15/02/34/351150234.db2.gz GNAVCNBCNWXIEQ-UHFFFAOYSA-N 0 0 211.627 2.464 10 0 BEAERN CC(C)(C)N1CCOC[C@H]1C(F)(F)F ZINC000616641705 351151527 /nfs/dbraw/zinc/15/15/27/351151527.db2.gz MKSYJJRVXOZDAO-ZETCQYMHSA-N 0 0 211.227 2.048 10 0 BEAERN CC(C)(C)N1CCOC[C@H]1c1ccccn1 ZINC000616641709 351151543 /nfs/dbraw/zinc/15/15/43/351151543.db2.gz MNNLDVYUHRJPTH-LBPRGKRZSA-N 0 0 220.316 2.253 10 0 BEAERN CN1CCO[C@H](c2cccc3cnccc32)C1 ZINC000616643764 351158239 /nfs/dbraw/zinc/15/82/39/351158239.db2.gz ZLMNOFWCZOYDJW-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN c1coc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000616644397 351163564 /nfs/dbraw/zinc/16/35/64/351163564.db2.gz ODEPXNNJQYHSCS-CYBMUJFWSA-N 0 0 244.294 2.248 10 0 BEAERN CC(C)(C)N1CCCOC[C@@H]1C(F)(F)F ZINC000616646603 351171305 /nfs/dbraw/zinc/17/13/05/351171305.db2.gz RIIQCBMYOVEONH-MRVPVSSYSA-N 0 0 225.254 2.438 10 0 BEAERN CC[N@@H+]1CCCOC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616649054 351177553 /nfs/dbraw/zinc/17/75/53/351177553.db2.gz JXLOQYXKCYUWRF-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@@H]1CC[C@H]2C[C@H]21 ZINC000306823177 351130816 /nfs/dbraw/zinc/13/08/16/351130816.db2.gz PBYKWEFMKCMMBR-RRKCRQDMSA-N 0 0 222.115 2.095 10 0 BEAERN CC(C)(C)N1CCOC[C@@H]1C(F)(F)F ZINC000616637405 351133149 /nfs/dbraw/zinc/13/31/49/351133149.db2.gz MKSYJJRVXOZDAO-SSDOTTSWSA-N 0 0 211.227 2.048 10 0 BEAERN CC(C)[C@@](C)(O)Cn1cc(Br)cn1 ZINC000167979375 351144042 /nfs/dbraw/zinc/14/40/42/351144042.db2.gz VEWQJPLXOUVEQW-VIFPVBQESA-N 0 0 247.136 2.053 10 0 BEAERN Clc1cc(NCCc2cccnc2)ncn1 ZINC000048631299 180575407 /nfs/dbraw/zinc/57/54/07/180575407.db2.gz PVSHWNGSRAQVKO-UHFFFAOYSA-N 0 0 234.690 2.180 10 0 BEAERN c1ncc([C@H]2CNc3ccccc3C2)o1 ZINC000616670684 351230863 /nfs/dbraw/zinc/23/08/63/351230863.db2.gz QLTWUXIFSVSPHC-SNVBAGLBSA-N 0 0 200.241 2.426 10 0 BEAERN c1ccc2c(c1)C[C@H](c1cccnn1)CN2 ZINC000616670052 351231523 /nfs/dbraw/zinc/23/15/23/351231523.db2.gz RWGPSPJJORHYDM-NSHDSACASA-N 0 0 211.268 2.228 10 0 BEAERN c1ccc2c(c1)C[C@@H](c1cccnn1)CN2 ZINC000616671289 351232757 /nfs/dbraw/zinc/23/27/57/351232757.db2.gz RWGPSPJJORHYDM-LLVKDONJSA-N 0 0 211.268 2.228 10 0 BEAERN CC(C)N1C[C@@H](c2cn[nH]n2)Cc2ccccc21 ZINC000616673967 351237987 /nfs/dbraw/zinc/23/79/87/351237987.db2.gz WWCCWBORZQLBAP-LBPRGKRZSA-N 0 0 242.326 2.359 10 0 BEAERN CN1C[C@@H](c2ccncn2)Cc2ccccc21 ZINC000616673204 351240074 /nfs/dbraw/zinc/24/00/74/351240074.db2.gz QEOQTWBRLIUVFA-LBPRGKRZSA-N 0 0 225.295 2.253 10 0 BEAERN NC(=O)N1CC[C@@H](c2ncco2)c2ccccc21 ZINC000616676352 351241024 /nfs/dbraw/zinc/24/10/24/351241024.db2.gz XDRYGDBQVNXVEV-SNVBAGLBSA-N 0 0 243.266 2.095 10 0 BEAERN CC[C@@H]1CCN(C(N)=O)c2ccccc21 ZINC000616676480 351241119 /nfs/dbraw/zinc/24/11/19/351241119.db2.gz XKXPRLVPQDEWJQ-SECBINFHSA-N 0 0 204.273 2.469 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1c1cocn1 ZINC000616680571 351248012 /nfs/dbraw/zinc/24/80/12/351248012.db2.gz MVZIZMMPZIBFNI-AWEZNQCLSA-N 0 0 242.278 2.169 10 0 BEAERN CCN1CCc2ccccc2[C@@H]1c1cnno1 ZINC000616678903 351249494 /nfs/dbraw/zinc/24/94/94/351249494.db2.gz OQIRAAYIXUNERG-CYBMUJFWSA-N 0 0 229.283 2.037 10 0 BEAERN CC(C)N1CCc2ccccc2[C@H]1c1nc[nH]n1 ZINC000616678810 351249531 /nfs/dbraw/zinc/24/95/31/351249531.db2.gz MGODUOSUGHEPCC-ZDUSSCGKSA-N 0 0 242.326 2.161 10 0 BEAERN COC(=O)[C@H]1CN(C(C)(C)C)c2ccccc2N1 ZINC000616682000 351252196 /nfs/dbraw/zinc/25/21/96/351252196.db2.gz DKJQMIWRAQLXMB-LLVKDONJSA-N 0 0 248.326 2.259 10 0 BEAERN CN1C[C@H](c2cnoc2)Nc2ccccc21 ZINC000616682313 351252865 /nfs/dbraw/zinc/25/28/65/351252865.db2.gz IUIOAXLWKNVCRT-LLVKDONJSA-N 0 0 215.256 2.278 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1ncccn1 ZINC000616684458 351255256 /nfs/dbraw/zinc/25/52/56/351255256.db2.gz SEVFADIBVGJLRS-ZDUSSCGKSA-N 0 0 240.310 2.470 10 0 BEAERN CCOC(=O)N1C[C@H](C(C)=O)Nc2ccccc21 ZINC000616684970 351255564 /nfs/dbraw/zinc/25/55/64/351255564.db2.gz MVBAJUXOCPTZFC-LLVKDONJSA-N 0 0 248.282 2.033 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@@H]1C ZINC000616685998 351255797 /nfs/dbraw/zinc/25/57/97/351255797.db2.gz ZURGIRKEFSQMGH-VIFPVBQESA-N 0 0 220.272 2.464 10 0 BEAERN CC1CCC(CNC(=O)n2ccnc2)CC1 ZINC000063146149 351256574 /nfs/dbraw/zinc/25/65/74/351256574.db2.gz PVSFXFVEGZURKL-UHFFFAOYSA-N 0 0 221.304 2.267 10 0 BEAERN CC(=O)N1C[C@@H](c2cnoc2)Cc2ccccc21 ZINC000616689692 351259199 /nfs/dbraw/zinc/25/91/99/351259199.db2.gz KRTNYNFHKKZRFR-LBPRGKRZSA-N 0 0 242.278 2.367 10 0 BEAERN O=C([O-])N1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616654149 351195792 /nfs/dbraw/zinc/19/57/92/351195792.db2.gz NRKSWBRDHGTNJQ-SNVBAGLBSA-N 0 0 235.287 2.026 10 0 BEAERN CC(=O)N1CCCO[C@@H](c2ccccc2F)C1 ZINC000616654634 351196307 /nfs/dbraw/zinc/19/63/07/351196307.db2.gz KKNYFZHMNORECZ-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN COc1ccc([C@@H]2CCOCCN2C(C)=O)cc1 ZINC000616657282 351198343 /nfs/dbraw/zinc/19/83/43/351198343.db2.gz VEVYHBAYCKHPLW-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CC(C)[N@@H+]1CCCC[C@@H](c2conn2)C1 ZINC000616657138 351198442 /nfs/dbraw/zinc/19/84/42/351198442.db2.gz ZKGCHSVBZFGLNI-SNVBAGLBSA-N 0 0 209.293 2.048 10 0 BEAERN CC(=O)N1CCOCC[C@@H]1c1ccccc1F ZINC000616657844 351199998 /nfs/dbraw/zinc/19/99/98/351199998.db2.gz RANAZSFMTJOHDN-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CNc1ccccc1[C@H]1CCOCCN1C(C)=O ZINC000616658535 351204617 /nfs/dbraw/zinc/20/46/17/351204617.db2.gz UZWASHQHRNRYRN-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN Clc1ccc(COC[C@H]2CCCO2)cn1 ZINC000019397516 180580749 /nfs/dbraw/zinc/58/07/49/180580749.db2.gz LPGMMEMKWGVUGT-SNVBAGLBSA-N 0 0 227.691 2.431 10 0 BEAERN CNc1ccc([C@H]2CCN(C(C)=O)CCO2)cc1 ZINC000616666313 351225647 /nfs/dbraw/zinc/22/56/47/351225647.db2.gz NUDMWBMYLYASPI-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nccc(SC)n1 ZINC000306881956 351288139 /nfs/dbraw/zinc/28/81/39/351288139.db2.gz MTOWCMGSQSIQBV-YUMQZZPRSA-N 0 0 209.318 2.409 10 0 BEAERN CCOC(=O)c1cc(OC)c(C)cc1OC ZINC000137081005 351292855 /nfs/dbraw/zinc/29/28/55/351292855.db2.gz VKQPZPIXDQVKON-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN O=C(c1ccc(Cl)nc1Cl)N1CC=CC1 ZINC000306887131 351295333 /nfs/dbraw/zinc/29/53/33/351295333.db2.gz TZOPRRCXSGGFGI-UHFFFAOYSA-N 0 0 243.093 2.400 10 0 BEAERN Clc1cnc(Sc2nncs2)cn1 ZINC000306896411 351308954 /nfs/dbraw/zinc/30/89/54/351308954.db2.gz PRFKIMCFCPLTOJ-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN C[C@@H]1SCC[C@@H]1Nc1cc(N)ns1 ZINC000306901986 351316357 /nfs/dbraw/zinc/31/63/57/351316357.db2.gz PJSIOASMORBTFU-WDSKDSINSA-N 0 0 215.347 2.031 10 0 BEAERN CSC[C@@H](O)c1occc1Br ZINC000068982064 351319434 /nfs/dbraw/zinc/31/94/34/351319434.db2.gz BUBYJTIQIFMCAP-ZCFIWIBFSA-N 0 0 237.118 2.439 10 0 BEAERN CC[C@H]1OC(=O)N[C@H]1c1ccc(F)cc1 ZINC000034778413 351268802 /nfs/dbraw/zinc/26/88/02/351268802.db2.gz HQNMDBUZQRWWKN-ZJUUUORDSA-N 0 0 209.220 2.385 10 0 BEAERN O=C(Nc1ccc2c(c1)CCN2)C(F)(F)F ZINC000063180895 351269718 /nfs/dbraw/zinc/26/97/18/351269718.db2.gz RGDKZBXPRCCEFO-UHFFFAOYSA-N 0 0 230.189 2.155 10 0 BEAERN Cc1cnn([C@H]2CCc3ccccc32)c1N ZINC000034963983 351367517 /nfs/dbraw/zinc/36/75/17/351367517.db2.gz LFCVIJIFVCCISD-LBPRGKRZSA-N 0 0 213.284 2.309 10 0 BEAERN Cc1cnn([C@@H]2CCc3ccccc32)c1N ZINC000034963981 351367784 /nfs/dbraw/zinc/36/77/84/351367784.db2.gz LFCVIJIFVCCISD-GFCCVEGCSA-N 0 0 213.284 2.309 10 0 BEAERN O=C(c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000034976527 351371401 /nfs/dbraw/zinc/37/14/01/351371401.db2.gz AWHWJRMAXMEHRU-SNVBAGLBSA-N 0 0 212.195 2.327 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]1c1c[nH]cn1 ZINC000228792198 351377926 /nfs/dbraw/zinc/37/79/26/351377926.db2.gz NJISMPAWZPTKEK-SNVBAGLBSA-N 0 0 237.303 2.482 10 0 BEAERN C[C@@]1(c2nc(Br)ns2)C[C@@H]1F ZINC000306951066 351378930 /nfs/dbraw/zinc/37/89/30/351378930.db2.gz LKHYPECHZQKZHE-BBIVZNJYSA-N 0 0 237.097 2.300 10 0 BEAERN Nc1c(O)c(F)ccc1OC(F)(F)F ZINC000306955479 351380160 /nfs/dbraw/zinc/38/01/60/351380160.db2.gz ATPGHWYZGZXNLO-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN C[C@H]1C[C@@H](Nc2ccnc(Cl)n2)CS1 ZINC000306989540 351405790 /nfs/dbraw/zinc/40/57/90/351405790.db2.gz SCOZSOFBJFIKOM-NKWVEPMBSA-N 0 0 229.736 2.436 10 0 BEAERN CCOC(=O)C[C@@H](C)Nc1ccccc1N ZINC000142121131 351339586 /nfs/dbraw/zinc/33/95/86/351339586.db2.gz BTSVUWYKVSIBLH-SECBINFHSA-N 0 0 222.288 2.022 10 0 BEAERN Cc1nnc(-c2c[nH]c(Br)c2)o1 ZINC000306927596 351343903 /nfs/dbraw/zinc/34/39/03/351343903.db2.gz UXMGZTKPICUYQA-UHFFFAOYSA-N 0 0 228.049 2.136 10 0 BEAERN Clc1ccc2nnc(C3CCC3)n2n1 ZINC000036903741 180588259 /nfs/dbraw/zinc/58/82/59/180588259.db2.gz GLOLCOQONUEGTN-UHFFFAOYSA-N 0 0 208.652 2.045 10 0 BEAERN CCCCCNC(=O)[C@H](C)NCc1ccco1 ZINC000034938476 351353564 /nfs/dbraw/zinc/35/35/64/351353564.db2.gz NMGOMWCENJVZAW-NSHDSACASA-N 0 0 238.331 2.064 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CCS[C@H]1C ZINC000306931348 351356828 /nfs/dbraw/zinc/35/68/28/351356828.db2.gz BQCVWEHLISSRPQ-FSPLSTOPSA-N 0 0 217.725 2.306 10 0 BEAERN O=C1NCC[C@H]1CCCOCc1ccccc1 ZINC000306933740 351358993 /nfs/dbraw/zinc/35/89/93/351358993.db2.gz GEBPWNAULCIZBX-CYBMUJFWSA-N 0 0 233.311 2.120 10 0 BEAERN Cc1nc(C(=O)c2cscn2)cs1 ZINC000306935056 351359118 /nfs/dbraw/zinc/35/91/18/351359118.db2.gz FQJOYQKFKPRMGW-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN C[C@@H]1CCN(c2nsnc2Cl)[C@H]1C ZINC000307028556 351430430 /nfs/dbraw/zinc/43/04/30/351430430.db2.gz LCVXGGTUYXLSTB-RITPCOANSA-N 0 0 217.725 2.426 10 0 BEAERN Cc1nc(C)c([C@@H]2NCCCS2)s1 ZINC000307026519 351434675 /nfs/dbraw/zinc/43/46/75/351434675.db2.gz KBFJEKAGNJFVAU-SECBINFHSA-N 0 0 214.359 2.485 10 0 BEAERN CC1(C)OC[C@@H](Cc2ccsc2)[C@@H]1O ZINC000307035886 351438315 /nfs/dbraw/zinc/43/83/15/351438315.db2.gz WCKSOFVZWJYSQP-ZJUUUORDSA-N 0 0 212.314 2.077 10 0 BEAERN Nc1cccc(C(=O)C2CCCCC2)n1 ZINC000307037250 351438801 /nfs/dbraw/zinc/43/88/01/351438801.db2.gz OYWNJNVQMOWVSU-UHFFFAOYSA-N 0 0 204.273 2.427 10 0 BEAERN CC(C)NC(=S)N1CCC=C(Cl)C1 ZINC000404436501 351450063 /nfs/dbraw/zinc/45/00/63/351450063.db2.gz UFJHOSDXYSKRRN-UHFFFAOYSA-N 0 0 218.753 2.098 10 0 BEAERN Clc1cccc(NC2=NC=NC3=NC=N[C@H]32)c1 ZINC000006534905 180590848 /nfs/dbraw/zinc/59/08/48/180590848.db2.gz LRKAZGGVXFQWBN-SECBINFHSA-N 0 0 245.673 2.001 10 0 BEAERN Clc1csc(NCc2ccno2)n1 ZINC000231902481 351451456 /nfs/dbraw/zinc/45/14/56/351451456.db2.gz JSENXGQPHHMKGN-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN CC[C@H]1C[C@@H]1c1nc(Br)no1 ZINC000307055943 351456049 /nfs/dbraw/zinc/45/60/49/351456049.db2.gz ZPXQFSVRNFKOAI-WHFBIAKZSA-N 0 0 217.066 2.346 10 0 BEAERN Nc1ccc(OC(F)(F)F)c(Cl)c1N ZINC000307053642 351457318 /nfs/dbraw/zinc/45/73/18/351457318.db2.gz QCPYFHPLKYVALS-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN C[C@H]1CN[C@H](c2ccns2)SC1 ZINC000404443427 351459005 /nfs/dbraw/zinc/45/90/05/351459005.db2.gz LXZRRYZTSKPJMK-XPUUQOCRSA-N 0 0 200.332 2.114 10 0 BEAERN Cc1ccc(C(=O)c2cccc(N)n2)s1 ZINC000307064262 351461082 /nfs/dbraw/zinc/46/10/82/351461082.db2.gz HUHLXYFVSWNIOQ-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C)O1 ZINC000306992979 351409557 /nfs/dbraw/zinc/40/95/57/351409557.db2.gz XWAMMEVWYOXFRU-BBBLOLIVSA-N 0 0 229.320 2.467 10 0 BEAERN C[C@@H]1CSC[C@@H]1n1cc[nH]c1=S ZINC000306991580 351409660 /nfs/dbraw/zinc/40/96/60/351409660.db2.gz VHKWYQZXSXWQIB-RQJHMYQMSA-N 0 0 200.332 2.096 10 0 BEAERN Cc1c(N)nsc1N[C@H](C)C(F)F ZINC000307002302 351412860 /nfs/dbraw/zinc/41/28/60/351412860.db2.gz FIUWIOIBAODJNG-SCSAIBSYSA-N 0 0 207.249 2.099 10 0 BEAERN C[C@@H]1C[C@H](n2ncc(Br)c2N)[C@H]1C ZINC000307074564 351464472 /nfs/dbraw/zinc/46/44/72/351464472.db2.gz NBPOUXGGZFWYSM-CHKWXVPMSA-N 0 0 244.136 2.445 10 0 BEAERN Nc1ccc(OC(F)(F)F)c(O)c1F ZINC000307009381 351416275 /nfs/dbraw/zinc/41/62/75/351416275.db2.gz MZIDHHVBQKTHOK-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN Cc1cscc1N1C(=S)N=NC1C ZINC000307019750 351423820 /nfs/dbraw/zinc/42/38/20/351423820.db2.gz SHYAJMYFAIAITQ-UHFFFAOYSA-N 0 0 211.315 2.234 10 0 BEAERN [NH3+][C@H](C1CCC1)C1(C(=O)[O-])CCCCC1 ZINC000307018543 351424117 /nfs/dbraw/zinc/42/41/17/351424117.db2.gz XFZQYPOEVNQZJS-SNVBAGLBSA-N 0 0 211.305 2.149 10 0 BEAERN CC[C@H](O)[C@@H](O)c1ccc(C)c(Cl)c1 ZINC000231986543 351494154 /nfs/dbraw/zinc/49/41/54/351494154.db2.gz REYMFEWHCBOKHJ-QWRGUYRKSA-N 0 0 214.692 2.453 10 0 BEAERN C[C@H]1C[C@H](C)CN(C2=NC(=O)CS2)C1 ZINC000307156493 351507337 /nfs/dbraw/zinc/50/73/37/351507337.db2.gz GDQXBHINALRUAW-YUMQZZPRSA-N 0 0 212.318 2.331 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C2=NC(=O)CS2)C1 ZINC000307156491 351507362 /nfs/dbraw/zinc/50/73/62/351507362.db2.gz GDQXBHINALRUAW-OCAPTIKFSA-N 0 0 212.318 2.331 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(C2=NC(=O)CS2)C1 ZINC000307156490 351507397 /nfs/dbraw/zinc/50/73/97/351507397.db2.gz GDQXBHINALRUAW-HTQZYQBOSA-N 0 0 212.318 2.331 10 0 BEAERN CC1(C)CN(c2cc(Br)ncn2)C1 ZINC000307156880 351507406 /nfs/dbraw/zinc/50/74/06/351507406.db2.gz GLYGOKNBMRPCSP-UHFFFAOYSA-N 0 0 242.120 2.085 10 0 BEAERN Cc1nc(C(C)(C)N(C)C)nc(Cl)c1F ZINC000307159882 351510493 /nfs/dbraw/zinc/51/04/93/351510493.db2.gz VFKUAQYCCVPPLF-UHFFFAOYSA-N 0 0 231.702 2.374 10 0 BEAERN Clc1cncc(N[C@@H]2C[C@H]3OCCC[C@H]23)n1 ZINC000302575227 180599347 /nfs/dbraw/zinc/59/93/47/180599347.db2.gz RJZHNZCUFSDGPU-IWSPIJDZSA-N 0 0 239.706 2.109 10 0 BEAERN NC(=O)c1ccc(F)c(F)c1C(F)F ZINC000307110540 351481300 /nfs/dbraw/zinc/48/13/00/351481300.db2.gz NSMJHVWHUKBSTR-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN Cc1nc(C(=O)[C@@H]2CC[C@H](C)O2)cs1 ZINC000307119614 351488909 /nfs/dbraw/zinc/48/89/09/351488909.db2.gz SDAZGVLOWMRHFW-RCOVLWMOSA-N 0 0 211.286 2.202 10 0 BEAERN Clc1cnc(Sc2ncns2)cn1 ZINC000307121198 351489578 /nfs/dbraw/zinc/48/95/78/351489578.db2.gz KLZIUVPUNUONFF-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN CC1(C)C(=O)N[C@H]1c1ccc(Br)o1 ZINC000307162208 351527016 /nfs/dbraw/zinc/52/70/16/351527016.db2.gz HCMFTICQFJQXAE-ZETCQYMHSA-N 0 0 244.088 2.239 10 0 BEAERN Cn1c(-c2ccccc2)c(N)c(=O)n1C(C)(C)C ZINC000036947761 180607512 /nfs/dbraw/zinc/60/75/12/180607512.db2.gz ZYRSEFQMBKLHBF-UHFFFAOYSA-N 0 0 245.326 2.191 10 0 BEAERN CC(C)(C)OCn1ccc(Br)n1 ZINC000307167027 351538122 /nfs/dbraw/zinc/53/81/22/351538122.db2.gz QLQBUHLNRPQIHZ-UHFFFAOYSA-N 0 0 233.109 2.418 10 0 BEAERN Cn1c(-c2c[nH]nc2N)nc2cccc(Cl)c21 ZINC000037443501 180608146 /nfs/dbraw/zinc/60/81/46/180608146.db2.gz LGJCOHQVFACZLU-UHFFFAOYSA-N 0 0 247.689 2.199 10 0 BEAERN Clc1ncccc1NCc1csnn1 ZINC000036982999 180602651 /nfs/dbraw/zinc/60/26/51/180602651.db2.gz ZVSGADNMUPBYIU-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000307178732 351565430 /nfs/dbraw/zinc/56/54/30/351565430.db2.gz JNLWOMSRTBXKQN-IONNQARKSA-N 0 0 201.697 2.434 10 0 BEAERN COc1nc(C(=O)[C@@H]2CCCS2)cs1 ZINC000307191792 351593805 /nfs/dbraw/zinc/59/38/05/351593805.db2.gz BKQSBRMHMVHADO-ZETCQYMHSA-N 0 0 229.326 2.230 10 0 BEAERN CC[C@H](C)[C@H]1Nc2c(cccc2OC)C[C@H]1O ZINC000725268608 538100684 /nfs/dbraw/zinc/10/06/84/538100684.db2.gz WRKBMDDFQRSRAX-UFGOTCBOSA-N 0 0 235.327 2.439 10 0 BEAERN C[C@@H]1C[C@H](C)CC(O)=C1C(=O)C(F)F ZINC000307201540 351604071 /nfs/dbraw/zinc/60/40/71/351604071.db2.gz FDBZOWBNGBLLQA-SHYZEUOFSA-N 0 0 204.216 2.072 10 0 BEAERN CCCOc1ccc(-c2csc(N)n2)cn1 ZINC000606302132 351553776 /nfs/dbraw/zinc/55/37/76/351553776.db2.gz DAXCHMBSKULNKP-UHFFFAOYSA-N 0 0 235.312 2.406 10 0 BEAERN COC(=O)C[C@H]1COc2c1ccc(C)c2C ZINC000606302525 351556497 /nfs/dbraw/zinc/55/64/97/351556497.db2.gz OINYEOGYMALIAY-JTQLQIEISA-N 0 0 220.268 2.343 10 0 BEAERN COC(=O)C[C@@H]1COc2c1ccc(F)c2F ZINC000606302582 351557566 /nfs/dbraw/zinc/55/75/66/351557566.db2.gz QRBGDGUPKHVAQY-ZCFIWIBFSA-N 0 0 228.194 2.004 10 0 BEAERN CCC1CC(COc2ccc(CO)cn2)C1 ZINC000606302766 351558558 /nfs/dbraw/zinc/55/85/58/351558558.db2.gz VSRXKFSGFPPADO-UHFFFAOYSA-N 0 0 221.300 2.389 10 0 BEAERN OCC[C@@H]1COc2cc3c(cc21)CCC3 ZINC000606303906 351560443 /nfs/dbraw/zinc/56/04/43/351560443.db2.gz JQFUUTBPHZCTJU-LLVKDONJSA-N 0 0 204.269 2.034 10 0 BEAERN OCC[C@H]1COc2cc3c(cc21)CCC3 ZINC000606303907 351560617 /nfs/dbraw/zinc/56/06/17/351560617.db2.gz JQFUUTBPHZCTJU-NSHDSACASA-N 0 0 204.269 2.034 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](O)[C@H](C(F)F)N2 ZINC000725268562 538100615 /nfs/dbraw/zinc/10/06/15/538100615.db2.gz WJEAUXRNVNYHKH-GHMZBOCLSA-N 0 0 243.253 2.048 10 0 BEAERN COC(=O)C[C@@H]1COc2cc(C)c(C)cc21 ZINC000606303742 351561366 /nfs/dbraw/zinc/56/13/66/351561366.db2.gz GTBWVIRKSUVRPP-SNVBAGLBSA-N 0 0 220.268 2.343 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H]([C@H]1CCCOC1)N2 ZINC000725268392 538100760 /nfs/dbraw/zinc/10/07/60/538100760.db2.gz PJWFVXJDWLCKDI-TUKIKUTGSA-N 0 0 247.338 2.119 10 0 BEAERN COC(C)(C)[C@@H]1Nc2ccc(C)cc2C[C@@H]1O ZINC000725268478 538100773 /nfs/dbraw/zinc/10/07/73/538100773.db2.gz SBHIUBTUSUYNFQ-QWHCGFSZSA-N 0 0 235.327 2.118 10 0 BEAERN C[C@@H]1C[C@H](NC2N=NC(=S)S2)CS1 ZINC000307214997 351615659 /nfs/dbraw/zinc/61/56/59/351615659.db2.gz SFSJZHQNZHXCCY-UHNVWZDZSA-N 0 0 233.387 2.133 10 0 BEAERN C[C@@H]1CC[C@H](COc2cccnc2F)O1 ZINC000232064564 351616034 /nfs/dbraw/zinc/61/60/34/351616034.db2.gz BFWRCRDHJXHBJO-RKDXNWHRSA-N 0 0 211.236 2.167 10 0 BEAERN CON(C)c1c(N)ccc(Cl)c1C ZINC000307261587 351804033 /nfs/dbraw/zinc/80/40/33/351804033.db2.gz VJBZUCYTJFLMGQ-UHFFFAOYSA-N 0 0 200.669 2.228 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1c1cccc(Cl)n1 ZINC000307253639 351781776 /nfs/dbraw/zinc/78/17/76/351781776.db2.gz VTZNNWUFVLGZBU-RKDXNWHRSA-N 0 0 226.707 2.085 10 0 BEAERN CS[C@H]1CCCN(C2=NC(=O)CS2)C1 ZINC000307253202 351784392 /nfs/dbraw/zinc/78/43/92/351784392.db2.gz UUFWKNTVROFPBB-ZETCQYMHSA-N 0 0 230.358 2.181 10 0 BEAERN C[C@H]1CCCC[C@H]1C(=O)c1cncnc1 ZINC000307254650 351789656 /nfs/dbraw/zinc/78/96/56/351789656.db2.gz YEMVYNPJYCLDLG-GXSJLCMTSA-N 0 0 204.273 2.486 10 0 BEAERN CNc1cccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000637928654 351804882 /nfs/dbraw/zinc/80/48/82/351804882.db2.gz CKFISRXHJSYEGT-GWCFXTLKSA-N 0 0 248.326 2.026 10 0 BEAERN OCc1c(F)c(F)ccc1OC(F)F ZINC000307256949 351793045 /nfs/dbraw/zinc/79/30/45/351793045.db2.gz PQOHTGFEEYHQRI-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1cccc(Br)n1 ZINC000307247766 351756660 /nfs/dbraw/zinc/75/66/60/351756660.db2.gz DUVRXSMPMNDMJA-RNFRBKRXSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H]1CCCC[C@@H]1C(=O)c1ccn(C)n1 ZINC000307252229 351770470 /nfs/dbraw/zinc/77/04/70/351770470.db2.gz RSFXORWNKKSYAF-UWVGGRQHSA-N 0 0 206.289 2.429 10 0 BEAERN O=C(Cc1ccco1)C1CC(F)(F)C1 ZINC000307252012 351773101 /nfs/dbraw/zinc/77/31/01/351773101.db2.gz RFQDUVUYNMYGIZ-UHFFFAOYSA-N 0 0 200.184 2.437 10 0 BEAERN CC[C@]1(C)C(=O)N[C@@H]1[C@]1(C)CCCS1 ZINC000307252078 351773302 /nfs/dbraw/zinc/77/33/02/351773302.db2.gz RKDQVXFNABYSBU-LSJOCFKGSA-N 0 0 213.346 2.187 10 0 BEAERN COc1ccc([C@H](N)c2cncs2)s1 ZINC000307262528 351809864 /nfs/dbraw/zinc/80/98/64/351809864.db2.gz XHEDSTTWEPMQPH-VIFPVBQESA-N 0 0 226.326 2.261 10 0 BEAERN C[C@H](NC1=N[C@H](C)CS1)C(F)(F)F ZINC000307286657 351852155 /nfs/dbraw/zinc/85/21/55/351852155.db2.gz RSVDZFPNEVTOMQ-UHNVWZDZSA-N 0 0 212.240 2.018 10 0 BEAERN FCCNc1nc(Cl)ncc1Cl ZINC000307291520 351899014 /nfs/dbraw/zinc/89/90/14/351899014.db2.gz BLMBJAKATQKVPS-UHFFFAOYSA-N 0 0 210.039 2.165 10 0 BEAERN CC[C@H]1CC[C@H](C)N(C(=S)NC)C1 ZINC000307316670 351992610 /nfs/dbraw/zinc/99/26/10/351992610.db2.gz NVDYDPHHFNUVFQ-IUCAKERBSA-N 0 0 200.351 2.001 10 0 BEAERN O=C(C(F)F)N1CCC12CCCCC2 ZINC000373324962 187562307 /nfs/dbraw/zinc/56/23/07/187562307.db2.gz RKJNIDKUTMBRJC-UHFFFAOYSA-N 0 0 203.232 2.187 10 0 BEAERN CC1(C)SC[C@H]1n1cc[nH]c1=S ZINC000307337115 352056630 /nfs/dbraw/zinc/05/66/30/352056630.db2.gz OUJYUAOJRSHIAN-ZCFIWIBFSA-N 0 0 200.332 2.238 10 0 BEAERN NC(=O)c1cc(OC(F)F)ccc1Cl ZINC000307337900 352056670 /nfs/dbraw/zinc/05/66/70/352056670.db2.gz PPBUUYCPXKMMQU-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN CC(C)Oc1ccccc1NC(=O)CCCO ZINC000041278443 187602826 /nfs/dbraw/zinc/60/28/26/187602826.db2.gz DGMWYFSURLBDTB-UHFFFAOYSA-N 0 0 237.299 2.185 10 0 BEAERN CCCOc1cc(N[C@@H](C)CC)ncn1 ZINC000082482313 187603208 /nfs/dbraw/zinc/60/32/08/187603208.db2.gz DTCDPRGBEFQGGH-VIFPVBQESA-N 0 0 209.293 2.476 10 0 BEAERN CC(C)N(CCO)c1ccc([C@@H](C)O)cc1F ZINC000042480144 187603905 /nfs/dbraw/zinc/60/39/05/187603905.db2.gz TWAAAVITVXBKGP-SNVBAGLBSA-N 0 0 241.306 2.086 10 0 BEAERN CCOC1=NC[C@H](c2ccc(C)cc2)N1 ZINC000039099292 187592998 /nfs/dbraw/zinc/59/29/98/187592998.db2.gz PHHAFBAVTGAUKE-LLVKDONJSA-N 0 0 204.273 2.032 10 0 BEAERN Cc1ccc(N)c(C(=O)N2CCC[C@H]2C)c1 ZINC000052999511 187609722 /nfs/dbraw/zinc/60/97/22/187609722.db2.gz OGZFJTFYZMRKTD-SNVBAGLBSA-N 0 0 218.300 2.202 10 0 BEAERN CC(C)(CO)COc1ccc(F)cc1F ZINC000041228771 187630238 /nfs/dbraw/zinc/63/02/38/187630238.db2.gz KUXMKORJEHLMQT-UHFFFAOYSA-N 0 0 216.227 2.362 10 0 BEAERN COc1ccc(CNc2ncns2)cc1 ZINC000083652240 352225873 /nfs/dbraw/zinc/22/58/73/352225873.db2.gz FHEPWXUPECPTAV-UHFFFAOYSA-N 0 0 221.285 2.159 10 0 BEAERN C/C=C/CCNc1nc(COC)ns1 ZINC000301549701 187643273 /nfs/dbraw/zinc/64/32/73/187643273.db2.gz XXBVEQLPMHAVLN-ONEGZZNKSA-N 0 0 213.306 2.063 10 0 BEAERN Cn1ccc(CNc2cccc(F)c2F)n1 ZINC000123814594 180705200 /nfs/dbraw/zinc/70/52/00/180705200.db2.gz CETJJGLWMRSEHH-UHFFFAOYSA-N 0 0 223.226 2.310 10 0 BEAERN Cc1csc(N[C@H]2CCOC[C@H]2C)n1 ZINC000300945295 363175781 /nfs/dbraw/zinc/17/57/81/363175781.db2.gz DYLVIRHMTCNYOU-APPZFPTMSA-N 0 0 212.318 2.288 10 0 BEAERN O=c1[nH]c2c(c(Cl)c1Cl)CCC2 ZINC000215639449 187664127 /nfs/dbraw/zinc/66/41/27/187664127.db2.gz CLJSUGVAGUNSPW-UHFFFAOYSA-N 0 0 204.056 2.170 10 0 BEAERN Fc1cccc(C2N=NC(=S)O2)c1F ZINC000054209651 352330952 /nfs/dbraw/zinc/33/09/52/352330952.db2.gz VKZCGDHBBJALIO-UHFFFAOYSA-N 0 0 214.196 2.304 10 0 BEAERN CCN(C)C(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000111890488 187669337 /nfs/dbraw/zinc/66/93/37/187669337.db2.gz WZBZTGYSNHTBDK-OLZOCXBDSA-N 0 0 232.327 2.451 10 0 BEAERN CCCC(=O)N[C@H]1CCc2c1cccc2N ZINC000725271371 538103023 /nfs/dbraw/zinc/10/30/23/538103023.db2.gz LCAMYKOLHRSKOT-LBPRGKRZSA-N 0 0 218.300 2.172 10 0 BEAERN Cc1ccncc1N[C@H](C)Cn1cccn1 ZINC000138909380 191200180 /nfs/dbraw/zinc/20/01/80/191200180.db2.gz PXARNQWZVMOWDX-LLVKDONJSA-N 0 0 216.288 2.087 10 0 BEAERN CC1(C(=O)N[C@@H]2CCc3c2cccc3N)CC1 ZINC000725271760 538103736 /nfs/dbraw/zinc/10/37/36/538103736.db2.gz SDTLSLKMTJMTFS-GFCCVEGCSA-N 0 0 230.311 2.172 10 0 BEAERN O[C@H](Cn1ccnc1)c1ccsc1Cl ZINC000307363854 352450454 /nfs/dbraw/zinc/45/04/54/352450454.db2.gz KGHBHFJLFPTBCG-MRVPVSSYSA-N 0 0 228.704 2.332 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCCC1(C)C ZINC000307374798 352473814 /nfs/dbraw/zinc/47/38/14/352473814.db2.gz TZKAGORNQYXABF-MRVPVSSYSA-N 0 0 201.697 2.434 10 0 BEAERN O=Cc1ccc(C2=CCCOC2)cc1F ZINC000725272467 538104271 /nfs/dbraw/zinc/10/42/71/538104271.db2.gz GHEMRGHYZHAHBW-UHFFFAOYSA-N 0 0 206.216 2.442 10 0 BEAERN O=Cc1ccc(F)c(C2=CCCOC2)c1 ZINC000725272630 538104324 /nfs/dbraw/zinc/10/43/24/538104324.db2.gz HVFJJZSDNUKEAT-UHFFFAOYSA-N 0 0 206.216 2.442 10 0 BEAERN O=C1N=NC(c2cscc2Br)O1 ZINC000404807306 352498008 /nfs/dbraw/zinc/49/80/08/352498008.db2.gz ZUGZQZXGLHSNJZ-UHFFFAOYSA-N 0 0 247.073 2.266 10 0 BEAERN C[C@@]1([C@H](O)C(F)(F)F)CCCS1 ZINC000307409735 352586249 /nfs/dbraw/zinc/58/62/49/352586249.db2.gz FWEBQXMUDUGNQZ-WDSKDSINSA-N 0 0 200.225 2.195 10 0 BEAERN CC[S@@](=O)Nc1cc(Cl)ccc1O ZINC000307418106 352591125 /nfs/dbraw/zinc/59/11/25/352591125.db2.gz LXXKROLUJCWMOZ-CYBMUJFWSA-N 0 0 219.693 2.141 10 0 BEAERN Clc1cc(NCC[C@@H]2CCCO2)cnn1 ZINC000229124111 352591541 /nfs/dbraw/zinc/59/15/41/352591541.db2.gz YDYQSNIEXHZHEP-VIFPVBQESA-N 0 0 227.695 2.111 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1nc(Cl)cs1 ZINC000307441416 352597083 /nfs/dbraw/zinc/59/70/83/352597083.db2.gz RUFZHWIPHDBCTJ-RITPCOANSA-N 0 0 218.709 2.122 10 0 BEAERN CCc1cc(NC(=O)NCc2ccccc2)n[nH]1 ZINC000232306045 352611286 /nfs/dbraw/zinc/61/12/86/352611286.db2.gz HIFSWTTXBPTXKB-UHFFFAOYSA-N 0 0 244.298 2.294 10 0 BEAERN Cc1ccc(C(=O)c2ccsn2)cn1 ZINC000307473130 352614429 /nfs/dbraw/zinc/61/44/29/352614429.db2.gz UYAZNWSWCMINKH-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN COc1c(N)ccc(Br)c1OC ZINC000307464730 352614654 /nfs/dbraw/zinc/61/46/54/352614654.db2.gz HHBPEMUMGLQUGZ-UHFFFAOYSA-N 0 0 232.077 2.049 10 0 BEAERN COC(=O)c1cccc(C)c1-c1ncc(F)cn1 ZINC000498035921 352568418 /nfs/dbraw/zinc/56/84/18/352568418.db2.gz ZTYQOUFNHUKJOH-UHFFFAOYSA-N 0 0 246.241 2.378 10 0 BEAERN C[C@@H](O)CNc1cc(F)ccc1Br ZINC000232246297 352576098 /nfs/dbraw/zinc/57/60/98/352576098.db2.gz DNGUCMFOPUZHET-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN O=C1C[C@H](C(F)(F)F)N(Cc2ccccc2)C1 ZINC000725272874 538104692 /nfs/dbraw/zinc/10/46/92/538104692.db2.gz TVQBPUIKDIXCQB-LLVKDONJSA-N 0 0 243.228 2.392 10 0 BEAERN CCn1cnc(-c2ccc(C=O)cc2)c1 ZINC000307409189 352585306 /nfs/dbraw/zinc/58/53/06/352585306.db2.gz NFFZKIZVEJGVLU-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN Cc1cccc(Br)c1[C@H](C)NN ZINC000307532212 352639015 /nfs/dbraw/zinc/63/90/15/352639015.db2.gz YTNRSZSAACNSGU-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN CCC1(C)CCN(C2=NC(=O)CS2)CC1 ZINC000307542885 352645192 /nfs/dbraw/zinc/64/51/92/352645192.db2.gz ALVJYLMCQWJLPH-UHFFFAOYSA-N 0 0 226.345 2.128 10 0 BEAERN CSc1cnc(NC(C)(C)CF)nc1 ZINC000307542570 352645721 /nfs/dbraw/zinc/64/57/21/352645721.db2.gz ZNTJLCXRZIJTGZ-UHFFFAOYSA-N 0 0 215.297 2.359 10 0 BEAERN Fc1cnc(Cl)nc1-c1ccns1 ZINC000307542487 352645859 /nfs/dbraw/zinc/64/58/59/352645859.db2.gz QDVPYIXRAXIVNE-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN C[C@@H](c1cccs1)N(C)C1=NC(=O)CS1 ZINC000307542698 352645936 /nfs/dbraw/zinc/64/59/36/352645936.db2.gz ZQVPZQNCZJUUBB-ZETCQYMHSA-N 0 0 240.353 2.370 10 0 BEAERN CCOC(=N)c1ccc2c(n1)CCCC2 ZINC000307548762 352646445 /nfs/dbraw/zinc/64/64/45/352646445.db2.gz OQZLARTZSGDUCG-UHFFFAOYSA-N 0 0 204.273 2.322 10 0 BEAERN C[C@H]1CCN1c1ccnc(Br)c1 ZINC000307550058 352647355 /nfs/dbraw/zinc/64/73/55/352647355.db2.gz XJSYFUGOTOWSKU-ZETCQYMHSA-N 0 0 227.105 2.443 10 0 BEAERN C[C@@H]1CCC[C@@]1(O)CNc1nsnc1Cl ZINC000307548883 352647539 /nfs/dbraw/zinc/64/75/39/352647539.db2.gz VTFHCQQIPUPPJW-HZGVNTEJSA-N 0 0 247.751 2.155 10 0 BEAERN O=C(c1ccsn1)[C@@H](O)C1CCCCC1 ZINC000307613629 352671990 /nfs/dbraw/zinc/67/19/90/352671990.db2.gz JXWATXKJVZADHU-JTQLQIEISA-N 0 0 225.313 2.267 10 0 BEAERN Cc1cc(N2CC(C)(C)C2)nc(Cl)n1 ZINC000307568616 352657327 /nfs/dbraw/zinc/65/73/27/352657327.db2.gz UBROLQFWALNOLM-UHFFFAOYSA-N 0 0 211.696 2.285 10 0 BEAERN CC(=O)c1cnc(C(C)(C)N(C)C)s1 ZINC000307589604 352660404 /nfs/dbraw/zinc/66/04/04/352660404.db2.gz APKLHBXZMGKQDF-UHFFFAOYSA-N 0 0 212.318 2.142 10 0 BEAERN Cc1cnc([C@H]2N[C@H](C)CS2)s1 ZINC000307595163 352665304 /nfs/dbraw/zinc/66/53/04/352665304.db2.gz JXGSQSNTMUNONR-XRGYYRRGSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@]1(CO)CC[C@H]([C@@]2(C)CCCS2)O1 ZINC000307608407 352666951 /nfs/dbraw/zinc/66/69/51/352666951.db2.gz DTKILSIHLVZHNG-GMTAPVOTSA-N 0 0 216.346 2.202 10 0 BEAERN Clc1nsnc1-c1cnsc1 ZINC000404932464 352633563 /nfs/dbraw/zinc/63/35/63/352633563.db2.gz LSHKFELPBZWPAV-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN O=C1CC[C@@H](Cc2sccc2Cl)N1 ZINC000307624136 352695129 /nfs/dbraw/zinc/69/51/29/352695129.db2.gz FLOYUDMITRBXPM-LURJTMIESA-N 0 0 215.705 2.223 10 0 BEAERN CN(C)Cc1c(Cl)nc2sccn12 ZINC000307620826 352695346 /nfs/dbraw/zinc/69/53/46/352695346.db2.gz FVFUBAVUZXYFDH-UHFFFAOYSA-N 0 0 215.709 2.111 10 0 BEAERN CCNS(=O)(=O)c1ccccc1C1CCC1 ZINC000725273264 538105057 /nfs/dbraw/zinc/10/50/57/538105057.db2.gz RKWZHCKWRUZMSF-UHFFFAOYSA-N 0 0 239.340 2.252 10 0 BEAERN Cc1cscc1C(=O)c1cn(C)nc1C ZINC000307631061 352722162 /nfs/dbraw/zinc/72/21/62/352722162.db2.gz OMQCNUMQPUGCDA-UHFFFAOYSA-N 0 0 220.297 2.329 10 0 BEAERN CC(C)(C)OC(=O)N1CC(=O)C2(CCCC2)C1 ZINC000307638403 352726887 /nfs/dbraw/zinc/72/68/87/352726887.db2.gz ZZXJYDAYLKOXKY-UHFFFAOYSA-N 0 0 239.315 2.367 10 0 BEAERN CC(=O)c1ccc(Sc2ncco2)cn1 ZINC000232479492 352742870 /nfs/dbraw/zinc/74/28/70/352742870.db2.gz FDYWXELGBKQTRM-UHFFFAOYSA-N 0 0 220.253 2.423 10 0 BEAERN CC(C)(C)[C@@H](O)C(=O)c1cccc(F)c1 ZINC000232495686 352756475 /nfs/dbraw/zinc/75/64/75/352756475.db2.gz KWCQJAGOCJZXSP-NSHDSACASA-N 0 0 210.248 2.415 10 0 BEAERN CN(Cc1ccccc1)c1nc(CO)cs1 ZINC000307679270 352756515 /nfs/dbraw/zinc/75/65/15/352756515.db2.gz QQTLWMHZMMEUEY-UHFFFAOYSA-N 0 0 234.324 2.272 10 0 BEAERN Cn1cnnc1-c1ccc(Br)cc1 ZINC000082549084 180792137 /nfs/dbraw/zinc/79/21/37/180792137.db2.gz KXFOSWNDIGHBCX-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN C1C[C@H](N2CCO[C@H](C3CCCCC3)C2)CO1 ZINC000334232822 352851058 /nfs/dbraw/zinc/85/10/58/352851058.db2.gz NNLQBTQVMNFOGX-KBPBESRZSA-N 0 0 239.359 2.056 10 0 BEAERN O=C(c1ncccc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000334255668 352865814 /nfs/dbraw/zinc/86/58/14/352865814.db2.gz YTMYLECUZOGOLO-PSASIEDQSA-N 0 0 236.702 2.360 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000360561807 187894709 /nfs/dbraw/zinc/89/47/09/187894709.db2.gz PKDQSYGCQBKXAD-YNEHKIRRSA-N 0 0 241.375 2.478 10 0 BEAERN Cn1ncc(-c2ccc(F)cc2Cl)c1N ZINC000062609805 180809391 /nfs/dbraw/zinc/80/93/91/180809391.db2.gz AFENNFPGSNUYKI-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN C[C@H]1CSC[C@H]1Nc1nsnc1Cl ZINC000307686775 352918861 /nfs/dbraw/zinc/91/88/61/352918861.db2.gz BTXLABFWCZNUAX-CRCLSJGQSA-N 0 0 235.765 2.355 10 0 BEAERN Cn1ncc(-c2ccccc2Cl)c1N ZINC000044269278 180809725 /nfs/dbraw/zinc/80/97/25/180809725.db2.gz SUTXJJUQBITYJH-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CC(C)(C)[C@H](O)[C@@H](O)c1ccsc1 ZINC000232509303 352933985 /nfs/dbraw/zinc/93/39/85/352933985.db2.gz NNVRAZIUFGFMLN-DTWKUNHWSA-N 0 0 200.303 2.189 10 0 BEAERN Cc1ccc(O)c(C(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000334339613 352974803 /nfs/dbraw/zinc/97/48/03/352974803.db2.gz MHSBFKCCVVFSGD-CMPLNLGQSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cc(Sc2cnn(C)c2)nc(Cl)n1 ZINC000052815266 352989200 /nfs/dbraw/zinc/98/92/00/352989200.db2.gz JONOEJXIHONWFW-UHFFFAOYSA-N 0 0 240.719 2.323 10 0 BEAERN Cc1cc(C)cc(CC2(O)CSC2)c1 ZINC000306587986 353027805 /nfs/dbraw/zinc/02/78/05/353027805.db2.gz SRZZXEKTYMMTEX-UHFFFAOYSA-N 0 0 208.326 2.324 10 0 BEAERN Fc1cc(C(F)(F)F)nc(Cl)n1 ZINC000306604162 353029045 /nfs/dbraw/zinc/02/90/45/353029045.db2.gz NMNXGHWKTYSJGG-UHFFFAOYSA-N 0 0 200.522 2.288 10 0 BEAERN Cc1cc([C@H]2N[C@@H](C(=O)[O-])CCS2)cs1 ZINC000306678358 353033859 /nfs/dbraw/zinc/03/38/59/353033859.db2.gz HQWXQDURFFYZLU-BDAKNGLRSA-N 0 0 243.353 2.235 10 0 BEAERN CC1(C)C[C@@H]1Nc1nc(Cl)c(CO)s1 ZINC000306228628 352998177 /nfs/dbraw/zinc/99/81/77/352998177.db2.gz XHYXVVXLYYBBLN-LURJTMIESA-N 0 0 232.736 2.499 10 0 BEAERN CSCc1nc(=O)c2ccsc2[nH]1 ZINC000306243388 352998970 /nfs/dbraw/zinc/99/89/70/352998970.db2.gz UIVGAUZZTODXMC-UHFFFAOYSA-N 0 0 212.299 2.260 10 0 BEAERN Cc1nc(-c2cccc(F)c2)oc1CO ZINC000401167742 323949305 /nfs/dbraw/zinc/94/93/05/323949305.db2.gz VTEKVNCQVOBFKS-UHFFFAOYSA-N 0 0 207.204 2.281 10 0 BEAERN NC(=S)c1cccc(COCC(F)(F)F)c1 ZINC000019488269 187934666 /nfs/dbraw/zinc/93/46/66/187934666.db2.gz UBLDBSZKIDOQLK-UHFFFAOYSA-N 0 0 249.257 2.400 10 0 BEAERN COc1ccc([C@@H](C)n2nccc2N)cc1F ZINC000019424563 187934693 /nfs/dbraw/zinc/93/46/93/187934693.db2.gz KRSBYOMAQPJKGO-MRVPVSSYSA-N 0 0 235.262 2.222 10 0 BEAERN C[C@H]1C[C@H]1Nc1nc(Cl)c(CO)s1 ZINC000306288889 353001831 /nfs/dbraw/zinc/00/18/31/353001831.db2.gz NDJCKXORNUUPNC-CRCLSJGQSA-N 0 0 218.709 2.109 10 0 BEAERN CC(=O)CC(=O)Nc1ccc(OC(C)C)cc1 ZINC000020473162 187935863 /nfs/dbraw/zinc/93/58/63/187935863.db2.gz GZJIHNROBIWWID-UHFFFAOYSA-N 0 0 235.283 2.391 10 0 BEAERN Cc1ccc([C@]2(O)CCOC[C@@H]2C)s1 ZINC000300958628 363200789 /nfs/dbraw/zinc/20/07/89/363200789.db2.gz GBQXBLVGDOZGFT-KWQFWETISA-N 0 0 212.314 2.301 10 0 BEAERN COc1nc(C(=O)[C@H]2CCCS2)cs1 ZINC000307191791 353060378 /nfs/dbraw/zinc/06/03/78/353060378.db2.gz BKQSBRMHMVHADO-SSDOTTSWSA-N 0 0 229.326 2.230 10 0 BEAERN C[C@@H]1CCCC[C@@H]1n1cnc(C(=O)[O-])c1 ZINC000300953405 363202327 /nfs/dbraw/zinc/20/23/27/363202327.db2.gz QATIIQQDAXQYRB-SCZZXKLOSA-N 0 0 208.261 2.333 10 0 BEAERN OCc1cc(OC(F)F)c(F)cc1F ZINC000307256837 353063714 /nfs/dbraw/zinc/06/37/14/353063714.db2.gz PLABBKBENBXPOB-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN CC(=O)CC(=O)Nc1ccsc1Cl ZINC000307337240 353069377 /nfs/dbraw/zinc/06/93/77/353069377.db2.gz RTLHJRXVTLOFTN-UHFFFAOYSA-N 0 0 217.677 2.319 10 0 BEAERN Cc1sccc1[C@@H](O)c1cnc(N)s1 ZINC000307387422 353072035 /nfs/dbraw/zinc/07/20/35/353072035.db2.gz MPSDDRBKRPWISV-MRVPVSSYSA-N 0 0 226.326 2.177 10 0 BEAERN CCNc1cccc(C(=O)NC(C)(C)C)n1 ZINC000051069122 187953385 /nfs/dbraw/zinc/95/33/85/187953385.db2.gz MWAGTDRBQLBDTC-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CC(=O)c1ccc(O[C@H](C)[C@@H](C)O)cc1 ZINC000087131011 187954338 /nfs/dbraw/zinc/95/43/38/187954338.db2.gz VLIRNNDHUNXAGU-PSASIEDQSA-N 0 0 208.257 2.037 10 0 BEAERN Cc1cc(N)cnc1N(C)Cc1cscn1 ZINC000052813346 187954987 /nfs/dbraw/zinc/95/49/87/187954987.db2.gz CEWPVHLBADHYOI-UHFFFAOYSA-N 0 0 234.328 2.065 10 0 BEAERN O=C(CC1OCCO1)c1ccsc1Cl ZINC000306796670 353039203 /nfs/dbraw/zinc/03/92/03/353039203.db2.gz WXYFJKHDDKYBJN-UHFFFAOYSA-N 0 0 232.688 2.347 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CCS[C@H]1C ZINC000306931346 353045603 /nfs/dbraw/zinc/04/56/03/353045603.db2.gz BQCVWEHLISSRPQ-CAHLUQPWSA-N 0 0 217.725 2.306 10 0 BEAERN [NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000072196506 187960889 /nfs/dbraw/zinc/96/08/89/187960889.db2.gz ZVJYNYOIMPUVIW-ZETCQYMHSA-N 0 0 238.045 2.217 10 0 BEAERN Oc1ccc([C@@H](O)Cc2cccnc2)cc1 ZINC000075625082 187962053 /nfs/dbraw/zinc/96/20/53/187962053.db2.gz BOVJFCBOKBFQRR-ZDUSSCGKSA-N 0 0 215.252 2.063 10 0 BEAERN NC(=S)Cc1ccsc1Br ZINC000307047242 353051579 /nfs/dbraw/zinc/05/15/79/353051579.db2.gz AAUOCSAUMBHYST-UHFFFAOYSA-N 0 0 236.159 2.339 10 0 BEAERN Cc1nn(C)c(C)c1/C=C\C(=O)N1CCCCC1 ZINC000095938382 187975473 /nfs/dbraw/zinc/97/54/73/187975473.db2.gz VXTGKZKIRLNZMG-FPLPWBNLSA-N 0 0 247.342 2.063 10 0 BEAERN N#CNCc1cc(F)ccc1Br ZINC000052832544 353108591 /nfs/dbraw/zinc/10/85/91/353108591.db2.gz JQSRMHLCSCJBEX-UHFFFAOYSA-N 0 0 229.052 2.159 10 0 BEAERN CC(=O)Cc1ccc(OCc2ccn(C)n2)cc1 ZINC000211684364 187982198 /nfs/dbraw/zinc/98/21/98/187982198.db2.gz CKTPIXJIACRDRO-UHFFFAOYSA-N 0 0 244.294 2.131 10 0 BEAERN CC(C)c1ncc(C(=O)N[C@H]2C[C@H]2C)s1 ZINC000134120791 187985406 /nfs/dbraw/zinc/98/54/06/187985406.db2.gz XFMMKHDINHQEQS-SFYZADRCSA-N 0 0 224.329 2.405 10 0 BEAERN COc1ccc(C(=O)[C@H]2CCCO2)s1 ZINC000307735176 353121955 /nfs/dbraw/zinc/12/19/55/353121955.db2.gz QFSWWJZDCOYBBD-SSDOTTSWSA-N 0 0 212.270 2.118 10 0 BEAERN CNc1ncc(C)cc1Br ZINC000082531405 188007123 /nfs/dbraw/zinc/00/71/23/188007123.db2.gz GUUFXFGRHGKCSM-UHFFFAOYSA-N 0 0 201.067 2.194 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1N ZINC000021969219 188008126 /nfs/dbraw/zinc/00/81/26/188008126.db2.gz PNHAODGHOFICPC-XPUUQOCRSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@@H]1CC=CC[C@@H]1C(=O)N1CC=CCC1 ZINC000033864743 188012918 /nfs/dbraw/zinc/01/29/18/188012918.db2.gz XOSMTRXKSZLBST-NEPJUHHUSA-N 0 0 205.301 2.377 10 0 BEAERN CCN(C)c1cccc(Br)c1N ZINC000307746667 353125575 /nfs/dbraw/zinc/12/55/75/353125575.db2.gz VZRYPBVYWHEJTK-UHFFFAOYSA-N 0 0 229.121 2.487 10 0 BEAERN On1c2ccccc2nc1-c1cccnc1 ZINC000253576238 188020902 /nfs/dbraw/zinc/02/09/02/188020902.db2.gz VOLGQXOZARAPPF-UHFFFAOYSA-N 0 0 211.224 2.336 10 0 BEAERN CCCCCN1Cc2ccc(N)cc2C1=O ZINC000058019142 168701587 /nfs/dbraw/zinc/70/15/87/168701587.db2.gz OFRKDPSRRRSVBS-UHFFFAOYSA-N 0 0 218.300 2.415 10 0 BEAERN N[C@@H](c1nccs1)c1ncc(Cl)s1 ZINC000223128783 353139540 /nfs/dbraw/zinc/13/95/40/353139540.db2.gz RUPSZHKZTDMDIE-YFKPBYRVSA-N 0 0 231.733 2.301 10 0 BEAERN CC(C)=CCNC(=O)c1cnccc1Cl ZINC000232595760 353141085 /nfs/dbraw/zinc/14/10/85/353141085.db2.gz RXCZLMVLEMCZCX-UHFFFAOYSA-N 0 0 224.691 2.431 10 0 BEAERN CNc1ccc(Br)cc1C=O ZINC000299889243 188043135 /nfs/dbraw/zinc/04/31/35/188043135.db2.gz GLCSBNGBCTXHAN-UHFFFAOYSA-N 0 0 214.062 2.303 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)CC1CCCCC1 ZINC000120442141 188004958 /nfs/dbraw/zinc/00/49/58/188004958.db2.gz JETWNWUZWZAAGV-LBPRGKRZSA-N 0 0 241.375 2.480 10 0 BEAERN COc1ncc([C@]2(O)C[C@H](C)[C@H]2C)s1 ZINC000307739450 353121736 /nfs/dbraw/zinc/12/17/36/353121736.db2.gz YVVQOZSZONWUNN-PJKMHFRUSA-N 0 0 213.302 2.015 10 0 BEAERN CC(C)(C)Sc1ncc(F)c(N)n1 ZINC000307740614 353121793 /nfs/dbraw/zinc/12/17/93/353121793.db2.gz HUMPMFHTTGBLLB-UHFFFAOYSA-N 0 0 201.270 2.089 10 0 BEAERN Nc1cccnc1S[C@H]1CCSC1 ZINC000405202137 353143356 /nfs/dbraw/zinc/14/33/56/353143356.db2.gz BGNGNFAIJAAFLB-ZETCQYMHSA-N 0 0 212.343 2.261 10 0 BEAERN CC(=O)[C@]1(CC2CCCC2)CCOC1=O ZINC000232621652 353146911 /nfs/dbraw/zinc/14/69/11/353146911.db2.gz FBERHWFFOMSVGM-GFCCVEGCSA-N 0 0 210.273 2.089 10 0 BEAERN FC(F)(F)C(F)(F)c1cncc(=S)[nH]1 ZINC000096308623 180878347 /nfs/dbraw/zinc/87/83/47/180878347.db2.gz GNXBIUBTMVBBBN-UHFFFAOYSA-N 0 0 230.161 2.419 10 0 BEAERN CCOC(OCC)[C@H]1CCCCC1=O ZINC000121993930 538110301 /nfs/dbraw/zinc/11/03/01/538110301.db2.gz FNJHELGECSQKGL-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN COC(OC)[C@H]1CCc2sccc2C1=O ZINC000122004387 538110389 /nfs/dbraw/zinc/11/03/89/538110389.db2.gz VCYZBZMJCAYIET-QMMMGPOBSA-N 0 0 226.297 2.112 10 0 BEAERN CCc1ccc(C[C@H](O)c2cn[nH]c2)s1 ZINC000309122492 538110413 /nfs/dbraw/zinc/11/04/13/538110413.db2.gz UWXFFSYTXVXVLO-NSHDSACASA-N 0 0 222.313 2.310 10 0 BEAERN CCC[C@@H](C)Cn1c(C)c(N)ccc1=O ZINC000309130696 538110443 /nfs/dbraw/zinc/11/04/43/538110443.db2.gz XUSNSBPFFYEUEF-SECBINFHSA-N 0 0 208.305 2.175 10 0 BEAERN CCCCCC(O)=CC(=O)[C@@H]1CCCO1 ZINC000309101626 538110475 /nfs/dbraw/zinc/11/04/75/538110475.db2.gz JNXDROHPXSXEBP-LBPRGKRZSA-N 0 0 212.289 2.274 10 0 BEAERN CCCCCC(O)=CC(=O)[C@H]1CCCO1 ZINC000309101625 538110498 /nfs/dbraw/zinc/11/04/98/538110498.db2.gz JNXDROHPXSXEBP-GFCCVEGCSA-N 0 0 212.289 2.274 10 0 BEAERN FC(F)(F)[C@H]1CC[C@@H](C(F)(F)F)N1 ZINC000047845111 180889383 /nfs/dbraw/zinc/88/93/83/180889383.db2.gz FZRPBFXDCLGOOC-ZXZARUISSA-N 0 0 207.117 2.232 10 0 BEAERN FC(F)(F)c1cccc(-n2cccn2)n1 ZINC000104286100 180894078 /nfs/dbraw/zinc/89/40/78/180894078.db2.gz PBAJLHJOANBWCY-UHFFFAOYSA-N 0 0 213.162 2.286 10 0 BEAERN CC(C)(C)c1nc(C(N)=S)cs1 ZINC000126557955 353250846 /nfs/dbraw/zinc/25/08/46/353250846.db2.gz NKKKTMPKXPQXCC-UHFFFAOYSA-N 0 0 200.332 2.075 10 0 BEAERN C[C@]1(Nc2ccncc2Cl)CCOC1 ZINC000229478873 353270585 /nfs/dbraw/zinc/27/05/85/353270585.db2.gz VLFSOAMHPPDXKM-JTQLQIEISA-N 0 0 212.680 2.326 10 0 BEAERN Cc1cc(Br)cc([C@@H](C)NN)c1 ZINC000127159166 353261156 /nfs/dbraw/zinc/26/11/56/353261156.db2.gz YLPLTDHLCZLXBH-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN CC(C)C[C@H](C)C(=O)NC[C@H](O)C(C)(C)C ZINC000360951878 188243772 /nfs/dbraw/zinc/24/37/72/188243772.db2.gz UHHSRKIOSKSGHE-QWRGUYRKSA-N 0 0 229.364 2.192 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000121315567 188249160 /nfs/dbraw/zinc/24/91/60/188249160.db2.gz DRAPOFCPEGXNNV-GARJFASQSA-N 0 0 213.321 2.105 10 0 BEAERN CCC[C@H](CC)[NH2+]Cc1c(C)nn(C)c1OC ZINC000105462100 188254417 /nfs/dbraw/zinc/25/44/17/188254417.db2.gz LPHINFUWFATNMH-NSHDSACASA-N 0 0 239.363 2.405 10 0 BEAERN CCc1cc(Br)cc(N)c1C=O ZINC000082351151 188270561 /nfs/dbraw/zinc/27/05/61/188270561.db2.gz CYUDTWGMXKGNEB-UHFFFAOYSA-N 0 0 228.089 2.406 10 0 BEAERN CC(=O)OCC[C@@H]1CC(=O)[C@H](C)C1(C)C ZINC000006037232 188277730 /nfs/dbraw/zinc/27/77/30/188277730.db2.gz ODBRWRPMELYFSQ-WCBMZHEXSA-N 0 0 212.289 2.191 10 0 BEAERN CCCNc1ccc(C(=O)N(C)C)cc1 ZINC000036955131 188279391 /nfs/dbraw/zinc/27/93/91/188279391.db2.gz JUMWACHYKFGRLL-UHFFFAOYSA-N 0 0 206.289 2.210 10 0 BEAERN CSc1ccc(NCC(=O)NC(C)C)cc1 ZINC000020043718 188282061 /nfs/dbraw/zinc/28/20/61/188282061.db2.gz LIGNCFWRNAGIGT-UHFFFAOYSA-N 0 0 238.356 2.345 10 0 BEAERN CC(C)C[C@@H](N)c1nc(-c2ccc(O)cc2)no1 ZINC000020011458 188282098 /nfs/dbraw/zinc/28/20/98/188282098.db2.gz KEEREWKPWNHDRT-LLVKDONJSA-N 0 0 247.298 2.488 10 0 BEAERN CCC1C(C)=NC(=O)N[C@H]1c1ccco1 ZINC000039101098 188282931 /nfs/dbraw/zinc/28/29/31/188282931.db2.gz KMFKGRCTXWSDNF-SNVBAGLBSA-N 0 0 206.245 2.318 10 0 BEAERN CC(C)(C)c1ccccc1NC(=S)NN ZINC000070569852 188285696 /nfs/dbraw/zinc/28/56/96/188285696.db2.gz RMVYOFVVLPQWBS-UHFFFAOYSA-N 0 0 223.345 2.144 10 0 BEAERN CC(C)Cn1cc(C=O)c(-c2ccncc2)n1 ZINC000036905584 188285740 /nfs/dbraw/zinc/28/57/40/188285740.db2.gz NYMYYPFQPZTDDL-UHFFFAOYSA-N 0 0 229.283 2.414 10 0 BEAERN CCCNc1ccc(Cl)c(C(N)=O)c1 ZINC000037046234 188286419 /nfs/dbraw/zinc/28/64/19/188286419.db2.gz AZCLMKYHAAVTBQ-UHFFFAOYSA-N 0 0 212.680 2.261 10 0 BEAERN CCCNc1ccc(C(N)=S)cc1F ZINC000036887095 188286609 /nfs/dbraw/zinc/28/66/09/188286609.db2.gz KRUOUUMRUQADJS-UHFFFAOYSA-N 0 0 212.293 2.282 10 0 BEAERN Nc1ccc(SCCc2ccccn2)nc1 ZINC000037662510 188286793 /nfs/dbraw/zinc/28/67/93/188286793.db2.gz CSHVEVDSRQPTQQ-UHFFFAOYSA-N 0 0 231.324 2.394 10 0 BEAERN CC(C)(C)[C@@]1(C)NC(=S)C(=O)S1 ZINC000039105223 188290694 /nfs/dbraw/zinc/29/06/94/188290694.db2.gz FXNKKVFXJWEMOL-QMMMGPOBSA-N 0 0 203.332 2.350 10 0 BEAERN CC[C@H](CCCO)NC(=O)OC(C)(C)C ZINC000039093976 188291080 /nfs/dbraw/zinc/29/10/80/188291080.db2.gz WXDNHTNXWAXWGI-SECBINFHSA-N 0 0 217.309 2.062 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc(N)cc1F ZINC000043570701 188295816 /nfs/dbraw/zinc/29/58/16/188295816.db2.gz ZYNSDDFSWZWDAV-QMMMGPOBSA-N 0 0 224.279 2.182 10 0 BEAERN Cc1cccc(C2CC([NH2+][C@@H](C)C(=O)[O-])C2)c1 ZINC000049356506 188298944 /nfs/dbraw/zinc/29/89/44/188298944.db2.gz MSZDQMSWZSQDEK-PKSQDBQZSA-N 0 0 233.311 2.304 10 0 BEAERN CC(=O)Nc1ccc(C)c(NCc2ncc[nH]2)c1 ZINC000049715352 188299105 /nfs/dbraw/zinc/29/91/05/188299105.db2.gz PMZUOIGTVWZRKW-UHFFFAOYSA-N 0 0 244.298 2.289 10 0 BEAERN Cc1ccc(/C=C/C(=O)N(C)C[C@H](C)O)c(C)c1 ZINC000051817176 188299518 /nfs/dbraw/zinc/29/95/18/188299518.db2.gz IXOIFZHHQIZTSP-GWJCSSMESA-N 0 0 247.338 2.156 10 0 BEAERN Cc1cccnc1NC1(CO)CCCCC1 ZINC000053096571 188300229 /nfs/dbraw/zinc/30/02/29/188300229.db2.gz XHZPPAZKOZYFQR-UHFFFAOYSA-N 0 0 220.316 2.497 10 0 BEAERN CC(C)N(C)C(=O)CNc1ccc2c(c1)CCC2 ZINC000059167815 188302131 /nfs/dbraw/zinc/30/21/31/188302131.db2.gz VHURLMSLWJAHDH-UHFFFAOYSA-N 0 0 246.354 2.454 10 0 BEAERN CC(C)[C@H](C)Nc1nccn(C(C)C)c1=O ZINC000061762560 188302566 /nfs/dbraw/zinc/30/25/66/188302566.db2.gz LCXAYVHHVPNVGE-JTQLQIEISA-N 0 0 223.320 2.281 10 0 BEAERN CC(C)C[C@@H](C)OCC[C@@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062545070 188303202 /nfs/dbraw/zinc/30/32/02/188303202.db2.gz HRQHBQDESQKRIN-VXGBXAGGSA-N 0 0 245.363 2.279 10 0 BEAERN CCOC(=O)[C@@H](C)NCC1CCC(C)CC1 ZINC000063145199 188303916 /nfs/dbraw/zinc/30/39/16/188303916.db2.gz IAUDQGXCFQZXOU-MOENNCHZSA-N 0 0 227.348 2.354 10 0 BEAERN CC(=O)Nc1cccc(-c2ccc[nH]c2=O)c1 ZINC000065339306 188304074 /nfs/dbraw/zinc/30/40/74/188304074.db2.gz MWJCDQPUNWBHGA-UHFFFAOYSA-N 0 0 228.251 2.000 10 0 BEAERN COc1cncc(C(=O)N2CCCC[C@H]2C)c1 ZINC000064552346 188304206 /nfs/dbraw/zinc/30/42/06/188304206.db2.gz ISZPXCKBJWOJJQ-SNVBAGLBSA-N 0 0 234.299 2.105 10 0 BEAERN COc1ccc(N)cc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000071205253 188306032 /nfs/dbraw/zinc/30/60/32/188306032.db2.gz BAXFFPJMCLAZOX-JOYOIKCWSA-N 0 0 248.326 2.196 10 0 BEAERN OCc1ccccc1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000072236180 188307222 /nfs/dbraw/zinc/30/72/22/188307222.db2.gz LPIFMKJYJJBDSA-NEBZKDRISA-N 0 0 241.334 2.437 10 0 BEAERN COc1ncc(C)c(Br)c1C ZINC000095933657 188321206 /nfs/dbraw/zinc/32/12/06/188321206.db2.gz KYVFSCDQWUULIP-UHFFFAOYSA-N 0 0 216.078 2.470 10 0 BEAERN C/C=C\C(=O)Nc1nnc(-c2ccccc2)o1 ZINC000095935838 188321761 /nfs/dbraw/zinc/32/17/61/188321761.db2.gz IMSBCBJQMGUHQJ-KXFIGUGUSA-N 0 0 229.239 2.251 10 0 BEAERN CC(=O)n1cc(Cl)c2ccccc2c1=O ZINC000098179230 188322339 /nfs/dbraw/zinc/32/23/39/188322339.db2.gz NOPABMPQWRVFFU-UHFFFAOYSA-N 0 0 221.643 2.315 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@H]1CC=CCC1 ZINC000077541386 188312059 /nfs/dbraw/zinc/31/20/59/188312059.db2.gz JGFLAFPQASSILM-QWRGUYRKSA-N 0 0 210.321 2.439 10 0 BEAERN CC(C)(C)c1ccc2c(c1)[C@H](C(=O)[O-])[NH2+]CC2 ZINC000082343124 188312722 /nfs/dbraw/zinc/31/27/22/188312722.db2.gz JJWIYVCGTDWWGU-GFCCVEGCSA-N 0 0 233.311 2.256 10 0 BEAERN O=Cc1ccc2c(c1C(F)(F)F)OCCO2 ZINC000082345068 188313051 /nfs/dbraw/zinc/31/30/51/188313051.db2.gz ACIZPGIIDKSFGL-UHFFFAOYSA-N 0 0 232.157 2.289 10 0 BEAERN Cc1cc(C)cc([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000083011505 188315365 /nfs/dbraw/zinc/31/53/65/188315365.db2.gz FOMKQAIIUQAITR-RYUDHWBXSA-N 0 0 219.284 2.181 10 0 BEAERN Ic1ccc2[nH]ccc2n1 ZINC000089220900 188317647 /nfs/dbraw/zinc/31/76/47/188317647.db2.gz IZCGFTKRRPNRBD-UHFFFAOYSA-N 0 0 244.035 2.168 10 0 BEAERN O[C@@H](c1c(F)cc(F)cc1F)C(F)F ZINC000129608557 353325827 /nfs/dbraw/zinc/32/58/27/353325827.db2.gz JIIGPNAIGWGRIU-ZETCQYMHSA-N 0 0 212.117 2.402 10 0 BEAERN COc1ccc(CN2[C@@H](C)COC[C@@H]2C)cc1 ZINC000093607343 188319560 /nfs/dbraw/zinc/31/95/60/188319560.db2.gz VTPHJVIITLBTGV-RYUDHWBXSA-N 0 0 235.327 2.304 10 0 BEAERN NC1C(=O)N(Cc2ccccc2)N=C1C1CC1 ZINC000130764134 353365889 /nfs/dbraw/zinc/36/58/89/353365889.db2.gz USQYWQKHEWEXNF-UHFFFAOYSA-N 0 0 229.283 2.097 10 0 BEAERN C=C(OCC)c1ccc(C(C)(C)O)cn1 ZINC000167597122 188337901 /nfs/dbraw/zinc/33/79/01/188337901.db2.gz RIQJJJNAONUARV-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CCCN(C[C@@H]1CCCCO1)C(=O)NC1CC1 ZINC000106505392 188343586 /nfs/dbraw/zinc/34/35/86/188343586.db2.gz FUMYESFLRGVOCH-LBPRGKRZSA-N 0 0 240.347 2.140 10 0 BEAERN CC(=O)c1ccc(Sc2ncns2)o1 ZINC000131599608 353372121 /nfs/dbraw/zinc/37/21/21/353372121.db2.gz BTLQHCZPVXYWHW-UHFFFAOYSA-N 0 0 226.282 2.485 10 0 BEAERN CC(C)[C@H](O)C(F)(F)C(=O)c1ccoc1 ZINC000034415960 188359434 /nfs/dbraw/zinc/35/94/34/188359434.db2.gz WGFOQXUKMMJILJ-QMMMGPOBSA-N 0 0 218.199 2.115 10 0 BEAERN Fc1ccc(Cc2nnc(Cl)o2)cc1 ZINC000071518574 180971482 /nfs/dbraw/zinc/97/14/82/180971482.db2.gz XKZDZKVJUAGLJY-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN Fc1ccc(NCc2cc[nH]n2)c(F)c1F ZINC000036900009 180977348 /nfs/dbraw/zinc/97/73/48/180977348.db2.gz ZZJBDEZVLVGPSB-UHFFFAOYSA-N 0 0 227.189 2.439 10 0 BEAERN C[C@H]1COCC[C@H]1c1nc(Cl)ns1 ZINC000300979527 363247544 /nfs/dbraw/zinc/24/75/44/363247544.db2.gz HZMYBLDZSVQISQ-NTSWFWBYSA-N 0 0 218.709 2.332 10 0 BEAERN O=C(CC(F)(F)F)Nc1cnc(Cl)cn1 ZINC000232112651 353695164 /nfs/dbraw/zinc/69/51/64/353695164.db2.gz HEFFGCKAQQNGRW-UHFFFAOYSA-N 0 0 239.584 2.021 10 0 BEAERN CCC(=O)Nc1c(Cl)ncnc1Cl ZINC000232832480 353716821 /nfs/dbraw/zinc/71/68/21/353716821.db2.gz AOBVECJOHYRFFE-UHFFFAOYSA-N 0 0 220.059 2.132 10 0 BEAERN Fc1cccc(F)c1NC[C@H]1CCOC1 ZINC000034957556 181001237 /nfs/dbraw/zinc/00/12/37/181001237.db2.gz BMSFYLRJYZMNOG-MRVPVSSYSA-N 0 0 213.227 2.413 10 0 BEAERN Fc1cccc(NCc2csnn2)c1F ZINC000040230272 181002309 /nfs/dbraw/zinc/00/23/09/181002309.db2.gz KOXPVPVAPYQYMR-UHFFFAOYSA-N 0 0 227.239 2.428 10 0 BEAERN CC(C)[C@H](O)Cc1nc([C@H]2CC2(C)C)no1 ZINC000232739250 353755893 /nfs/dbraw/zinc/75/58/93/353755893.db2.gz ZJKUMHQWULBPTB-RKDXNWHRSA-N 0 0 224.304 2.143 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC/C=C/c2ccccc2)O1 ZINC000178270385 366110834 /nfs/dbraw/zinc/11/08/34/366110834.db2.gz SRYHZUKKWZQDEZ-MZMNXDGSSA-N 0 0 245.322 2.384 10 0 BEAERN CCCOc1ncnc(NC)c1Br ZINC000233248826 353809011 /nfs/dbraw/zinc/80/90/11/353809011.db2.gz CYFXLNPMBZEVCJ-UHFFFAOYSA-N 0 0 246.108 2.070 10 0 BEAERN C[C@@H]1COCC[C@]1(O)Cc1ccsc1 ZINC000300989187 363260544 /nfs/dbraw/zinc/26/05/44/363260544.db2.gz JCZIXGXYLQALHH-KOLCDFICSA-N 0 0 212.314 2.078 10 0 BEAERN C/C(=C/Cl)C[C@@H]1CCCCNC1=O ZINC000308109943 353888373 /nfs/dbraw/zinc/88/83/73/353888373.db2.gz LDEMIGITVWHMDC-FUOZMLNRSA-N 0 0 201.697 2.435 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1C(=O)CC1CC(C)(C)C1 ZINC000334533880 353913609 /nfs/dbraw/zinc/91/36/09/353913609.db2.gz RFZNOEVTUKKICU-ZYHUDNBSSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)cc1O ZINC000334539049 353926818 /nfs/dbraw/zinc/92/68/18/353926818.db2.gz PYVWQDODEKITJN-RYUDHWBXSA-N 0 0 231.295 2.325 10 0 BEAERN CCCCCNc1nccnc1N(C)C ZINC000302189825 168724019 /nfs/dbraw/zinc/72/40/19/168724019.db2.gz KMULZDOSKRWEOC-UHFFFAOYSA-N 0 0 208.309 2.145 10 0 BEAERN N#CN1CC[C@@H](COCc2ccccc2)C1 ZINC000003964774 181052880 /nfs/dbraw/zinc/05/28/80/181052880.db2.gz JOXOPPDPWDHDAQ-CYBMUJFWSA-N 0 0 216.284 2.006 10 0 BEAERN CSC[C@@H](C)C(=O)Nc1nccnc1Cl ZINC000301003944 363285914 /nfs/dbraw/zinc/28/59/14/363285914.db2.gz WINXHAZXDOUQEG-ZCFIWIBFSA-N 0 0 245.735 2.068 10 0 BEAERN Cn1cnnc1[C@@H]1CCCC(F)(F)C1 ZINC000301024027 363336939 /nfs/dbraw/zinc/33/69/39/363336939.db2.gz RBGRUUQAJONOJU-SSDOTTSWSA-N 0 0 201.220 2.108 10 0 BEAERN CC[C@H](NC(=O)c1cncc(Cl)n1)C(C)C ZINC000232245385 363366799 /nfs/dbraw/zinc/36/67/99/363366799.db2.gz MUMHUCOXGXSNIL-QMMMGPOBSA-N 0 0 241.722 2.294 10 0 BEAERN Cc1csc(C[C@@]2(O)C=CCCC2)n1 ZINC000165942488 354352293 /nfs/dbraw/zinc/35/22/93/354352293.db2.gz NBIZLVVYXCMSHN-LLVKDONJSA-N 0 0 209.314 2.465 10 0 BEAERN Cc1cc(C)c(C(=O)N2[C@H](C)COC[C@@H]2C)o1 ZINC000334641177 354397215 /nfs/dbraw/zinc/39/72/15/354397215.db2.gz MWBVNCONYRBNKI-AOOOYVTPSA-N 0 0 237.299 2.146 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CS[C@@H](C)C1 ZINC000334808879 354565788 /nfs/dbraw/zinc/56/57/88/354565788.db2.gz ZCHPRBOATPUSLE-UWVGGRQHSA-N 0 0 237.372 2.328 10 0 BEAERN Cc1ccnc(N2C[C@H](O)C[C@H](C)C2)c1Cl ZINC000334812643 354569983 /nfs/dbraw/zinc/56/99/83/354569983.db2.gz KIVHHPIAAKSBAE-WCBMZHEXSA-N 0 0 240.734 2.251 10 0 BEAERN CCC1(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC000334753510 354575193 /nfs/dbraw/zinc/57/51/93/354575193.db2.gz UFQMTXFDAFBGQN-NEPJUHHUSA-N 0 0 249.354 2.204 10 0 BEAERN CCN(CCC(=O)NC(C)C)c1cccc(N)c1 ZINC000063108326 169816304 /nfs/dbraw/zinc/81/63/04/169816304.db2.gz WDXCTYNHCMOUSL-UHFFFAOYSA-N 0 0 249.358 2.010 10 0 BEAERN CC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000335212131 355049830 /nfs/dbraw/zinc/04/98/30/355049830.db2.gz CGPNOZDVDKVSID-NEPJUHHUSA-N 0 0 237.343 2.347 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@H]2CCC[C@H]21 ZINC000335221578 355061741 /nfs/dbraw/zinc/06/17/41/355061741.db2.gz RADBMDJFGUMYOB-CHWSQXEVSA-N 0 0 230.311 2.381 10 0 BEAERN Cc1ccc(CCC(=O)Nc2ccn(C)n2)cc1 ZINC000014902808 355227966 /nfs/dbraw/zinc/22/79/66/355227966.db2.gz LLBLNSPXONSUHZ-UHFFFAOYSA-N 0 0 243.310 2.300 10 0 BEAERN CCCCOCCNc1nccnc1C(C)C ZINC000413088584 191355037 /nfs/dbraw/zinc/35/50/37/191355037.db2.gz VFCXDHOAJCFPFY-UHFFFAOYSA-N 0 0 237.347 2.251 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000413544765 191395536 /nfs/dbraw/zinc/39/55/36/191395536.db2.gz YWKOUYZFLKNXMD-WOPDTQHZSA-N 0 0 249.358 2.247 10 0 BEAERN CC(C)c1nccnc1NC[C@@]1(C)CCCO1 ZINC000413188474 191362840 /nfs/dbraw/zinc/36/28/40/191362840.db2.gz UREDJONTSNOQFG-CYBMUJFWSA-N 0 0 235.331 2.003 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCCOCC1 ZINC000413240855 191363189 /nfs/dbraw/zinc/36/31/89/191363189.db2.gz ZZWRYENGOCBAKY-NSHDSACASA-N 0 0 235.331 2.003 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CSC1(C)C ZINC000413303677 191369831 /nfs/dbraw/zinc/36/98/31/191369831.db2.gz YQKRNCVHLPHBJU-VIFPVBQESA-N 0 0 237.372 2.328 10 0 BEAERN Cc1cc(CNc2nccnc2C(C)C)ccn1 ZINC000413339555 191372374 /nfs/dbraw/zinc/37/23/74/191372374.db2.gz YUKIPVBNRXAYOO-UHFFFAOYSA-N 0 0 242.326 2.337 10 0 BEAERN COc1ccc2c(cnn2C)c1Br ZINC000211738216 355313509 /nfs/dbraw/zinc/31/35/09/355313509.db2.gz YHCGFQDEBUTQCR-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN OCC[C@@H](NO)c1cccc(Cl)c1Cl ZINC000308362124 355375072 /nfs/dbraw/zinc/37/50/72/355375072.db2.gz HAEPPQWGEGDWLK-MRVPVSSYSA-N 0 0 236.098 2.396 10 0 BEAERN C[C@@H]1OCC(=O)[C@@H]1CC=C(Cl)Cl ZINC000405911224 355381024 /nfs/dbraw/zinc/38/10/24/355381024.db2.gz ZKXJNRDUUQWJKB-NTSWFWBYSA-N 0 0 209.072 2.300 10 0 BEAERN OCC[C@H](NO)c1c(Cl)cccc1Cl ZINC000308377680 355385678 /nfs/dbraw/zinc/38/56/78/355385678.db2.gz OSIJMADMBTZHPB-QMMMGPOBSA-N 0 0 236.098 2.396 10 0 BEAERN N=C(N)c1nccnc1Sc1ccc(F)cc1 ZINC000054381058 181197492 /nfs/dbraw/zinc/19/74/92/181197492.db2.gz VKQYPHKMEUOIRL-UHFFFAOYSA-N 0 0 248.286 2.051 10 0 BEAERN C[C@@H]1Oc2cc(F)c(Cl)cc2C1=O ZINC000134373820 355590261 /nfs/dbraw/zinc/59/02/61/355590261.db2.gz QIXCQYWPKWRJNK-BYPYZUCNSA-N 0 0 200.596 2.443 10 0 BEAERN C[NH2+][C@H]1COc2cc(F)c(Cl)cc21 ZINC000134374214 355591617 /nfs/dbraw/zinc/59/16/17/355591617.db2.gz QDYMHIKNNLXPAB-QMMMGPOBSA-N 0 0 201.628 2.132 10 0 BEAERN O=C(c1ccc(F)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000335871507 355638027 /nfs/dbraw/zinc/63/80/27/355638027.db2.gz BORAPCAHSFBJGA-CMPLNLGQSA-N 0 0 219.259 2.450 10 0 BEAERN Cc1nc([C@H]2CSCCN2)sc1C ZINC000160258508 355762495 /nfs/dbraw/zinc/76/24/95/355762495.db2.gz DAIDCLJVDPMRDZ-MRVPVSSYSA-N 0 0 214.359 2.137 10 0 BEAERN C#CCNC(=O)/C(C)=C(/C)c1ccccc1 ZINC000002002374 355725028 /nfs/dbraw/zinc/72/50/28/355725028.db2.gz LEHGCEPMNDWJMX-QXMHVHEDSA-N 0 0 213.280 2.229 10 0 BEAERN O=c1cc(Cc2ccccc2F)[nH]c(=S)[nH]1 ZINC000034483340 355840185 /nfs/dbraw/zinc/84/01/85/355840185.db2.gz GLHRAIAPFSTCCN-UHFFFAOYSA-N 0 0 236.271 2.162 10 0 BEAERN NC(=O)C1(Nc2ccc(F)cc2)CCCCC1 ZINC000037942644 181215347 /nfs/dbraw/zinc/21/53/47/181215347.db2.gz STIXPNGISJSSIP-UHFFFAOYSA-N 0 0 236.290 2.426 10 0 BEAERN COCCN(CC(C)C)C(=O)OC(C)C ZINC000127131485 324747358 /nfs/dbraw/zinc/74/73/58/324747358.db2.gz AXERXDXJQQYHAA-UHFFFAOYSA-N 0 0 217.309 2.136 10 0 BEAERN Cc1ncsc1CNC(=O)OC(C)C ZINC000127355671 324762455 /nfs/dbraw/zinc/76/24/55/324762455.db2.gz OEMCTMXMMFWRPA-UHFFFAOYSA-N 0 0 214.290 2.086 10 0 BEAERN NC(=O)CCNc1ccc(Cl)cc1Cl ZINC000034958958 181226566 /nfs/dbraw/zinc/22/65/66/181226566.db2.gz NSHKUJOETIPBRC-UHFFFAOYSA-N 0 0 233.098 2.281 10 0 BEAERN NC(=O)CCNc1ccnc2cc(Cl)ccc21 ZINC000036747507 181226943 /nfs/dbraw/zinc/22/69/43/181226943.db2.gz NJMLMUFGXJLFHG-UHFFFAOYSA-N 0 0 249.701 2.176 10 0 BEAERN NC(=O)Cc1ccc(NC2CCCC2)cc1 ZINC000037074773 181247114 /nfs/dbraw/zinc/24/71/14/181247114.db2.gz SNFSXJBATVKVJC-UHFFFAOYSA-N 0 0 218.300 2.069 10 0 BEAERN NC(=O)Nc1cc(Br)cs1 ZINC000077331522 181261580 /nfs/dbraw/zinc/26/15/80/181261580.db2.gz ZXHIIGWDEKAPTE-UHFFFAOYSA-N 0 0 221.079 2.001 10 0 BEAERN NC(=O)[C@@H](Cc1ccccc1)Nc1ccccc1 ZINC000037941835 181264325 /nfs/dbraw/zinc/26/43/25/181264325.db2.gz XZWBQKBSMWXBPM-CQSZACIVSA-N 0 0 240.306 2.195 10 0 BEAERN CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2ccco2)CCO1 ZINC000123585829 358504076 /nfs/dbraw/zinc/50/40/76/358504076.db2.gz KUTSJEFPUMNQLA-QWRGUYRKSA-N 0 0 249.310 2.021 10 0 BEAERN CN(Cc1cccnc1)c1nsnc1Cl ZINC000035232293 356422873 /nfs/dbraw/zinc/42/28/73/356422873.db2.gz HCTWVJLRWKIUDJ-UHFFFAOYSA-N 0 0 240.719 2.223 10 0 BEAERN Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F ZINC000396117151 356453323 /nfs/dbraw/zinc/45/33/23/356453323.db2.gz JXTXGRYVPSUILE-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CN(C)c1cc(CO)cc(OC(F)(F)F)c1 ZINC000396122943 356455347 /nfs/dbraw/zinc/45/53/47/356455347.db2.gz VQRMEIDUNBQERA-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN NC(=O)[C@H](Nc1cccc(F)c1)[C@@H]1CC=CCC1 ZINC000037945062 181278483 /nfs/dbraw/zinc/27/84/83/181278483.db2.gz VAPCKQBOKAAORE-ZWNOBZJWSA-N 0 0 248.301 2.448 10 0 BEAERN Nc1cc(OC(F)(F)F)cc(N)c1Cl ZINC000145720921 356482236 /nfs/dbraw/zinc/48/22/36/356482236.db2.gz DRBFAUYJKOFNHM-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN Oc1ccc(Br)c(C2OCCO2)c1 ZINC000145842790 356483495 /nfs/dbraw/zinc/48/34/95/356483495.db2.gz YDFPHBYVAKDDEF-UHFFFAOYSA-N 0 0 245.072 2.200 10 0 BEAERN CC(C)Cn1nc(-c2ccccn2)cc1N ZINC000142376993 356469513 /nfs/dbraw/zinc/46/95/13/356469513.db2.gz CEJMMNRTYIEKSY-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN NC(=O)[C@H]1CCc2c3cc(Cl)ccc3[nH]c21 ZINC000013677651 181283133 /nfs/dbraw/zinc/28/31/33/181283133.db2.gz DEAPWAXHFACEKU-QMMMGPOBSA-N 0 0 234.686 2.336 10 0 BEAERN CCC1(O)CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000336179629 134117715 /nfs/dbraw/zinc/11/77/15/134117715.db2.gz RTJQTKHIYAOBKP-NEPJUHHUSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ncccc2Cl)O1 ZINC000179669939 366282977 /nfs/dbraw/zinc/28/29/77/366282977.db2.gz GFMWJHFANNOQDJ-APPZFPTMSA-N 0 0 240.690 2.241 10 0 BEAERN CCn1c(C)nnc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000179695954 366286701 /nfs/dbraw/zinc/28/67/01/366286701.db2.gz JHOXGVJLYRUMBL-GHMZBOCLSA-N 0 0 236.363 2.084 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000613537820 363479311 /nfs/dbraw/zinc/47/93/11/363479311.db2.gz JIWFSKGSEFHCIU-STQMWFEESA-N 0 0 242.322 2.372 10 0 BEAERN C[C@H](N)C(=O)c1sccc1Br ZINC000083333455 538469266 /nfs/dbraw/zinc/46/92/66/538469266.db2.gz ILGTXZOJACSVAP-BYPYZUCNSA-N 0 0 234.118 2.041 10 0 BEAERN C[C@@H](O)CNc1nc2cc(Cl)ccc2[nH]1 ZINC000026474102 363535690 /nfs/dbraw/zinc/53/56/90/363535690.db2.gz FKHULXLAMAWWST-ZCFIWIBFSA-N 0 0 225.679 2.009 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H](C2CCC(F)(F)CC2)C1 ZINC000675059281 538483740 /nfs/dbraw/zinc/48/37/40/538483740.db2.gz FTFMWRDHHFCTLQ-ZJUUUORDSA-N 0 0 247.285 2.122 10 0 BEAERN OC[C@@H]1CC[C@@H](c2ccc(F)cc2)CO1 ZINC000675058345 538481161 /nfs/dbraw/zinc/48/11/61/538481161.db2.gz AWVSHHXYPBJENP-PWSUYJOCSA-N 0 0 210.248 2.081 10 0 BEAERN CCn1ccnc1-c1ccc(F)c(N)c1F ZINC000675059035 538482936 /nfs/dbraw/zinc/48/29/36/538482936.db2.gz HTCQYTOXWCSTQL-UHFFFAOYSA-N 0 0 223.226 2.430 10 0 BEAERN CC[NH2+]Cc1occ(C2CCC2)c1C(=O)[O-] ZINC000675051403 538474568 /nfs/dbraw/zinc/47/45/68/538474568.db2.gz JJFVLKFWJCOCTK-UHFFFAOYSA-N 0 0 223.272 2.355 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CC[C@@]2(CO)CCC[C@H]12 ZINC000675051654 538475400 /nfs/dbraw/zinc/47/54/00/538475400.db2.gz WLNMIXLJPIEBNS-SGMGOOAPSA-N 0 0 239.359 2.042 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H](C2CCCCCC2)C[NH2+]1 ZINC000675060084 538485984 /nfs/dbraw/zinc/48/59/84/538485984.db2.gz RQJBFHQJVGBEBI-RYUDHWBXSA-N 0 0 225.332 2.410 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000675061342 538487809 /nfs/dbraw/zinc/48/78/09/538487809.db2.gz ZERXVSHVLKLRSC-MGPQQGTHSA-N 0 0 245.322 2.229 10 0 BEAERN COc1cc(C)cc2c1OC[C@@H](C(C)=O)C2 ZINC000675063844 538490424 /nfs/dbraw/zinc/49/04/24/538490424.db2.gz PWPOZQDOWINTOC-NSHDSACASA-N 0 0 220.268 2.144 10 0 BEAERN CC(C)(C)[C@H]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000083438779 538499766 /nfs/dbraw/zinc/49/97/66/538499766.db2.gz PIVXYKZLLYPJRV-UWVGGRQHSA-N 0 0 233.377 2.270 10 0 BEAERN Cn1ncc(N)c1-c1c(F)cc(F)cc1F ZINC000675070565 538501258 /nfs/dbraw/zinc/50/12/58/538501258.db2.gz POTXJNATLJNLKD-UHFFFAOYSA-N 0 0 227.189 2.087 10 0 BEAERN CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CC1 ZINC000167854831 134154268 /nfs/dbraw/zinc/15/42/68/134154268.db2.gz XRKJTIYSTMVKOQ-GXSJLCMTSA-N 0 0 234.347 2.064 10 0 BEAERN CC(C)Cn1cc(-c2ccccc2N)nn1 ZINC000675078519 538516173 /nfs/dbraw/zinc/51/61/73/538516173.db2.gz HLBZMOBQIDJXRX-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN Fc1ccc(-c2nnc(C(F)F)o2)cn1 ZINC000675082557 538523235 /nfs/dbraw/zinc/52/32/35/538523235.db2.gz LIYQTEYLOXJWKP-UHFFFAOYSA-N 0 0 215.134 2.208 10 0 BEAERN COc1ccc([C@]23C[C@H](CC2)[C@@H]3O)cc1 ZINC000675081127 538520419 /nfs/dbraw/zinc/52/04/19/538520419.db2.gz IJWMTTIPXZUESV-TVYUQYBPSA-N 0 0 204.269 2.108 10 0 BEAERN O=C(CSCCCO)c1ccccc1F ZINC000085163975 538536093 /nfs/dbraw/zinc/53/60/93/538536093.db2.gz KVPRRGRZHJOKAB-UHFFFAOYSA-N 0 0 228.288 2.124 10 0 BEAERN COCCCn1c2ccncc2[nH]c1=S ZINC000086159686 538552289 /nfs/dbraw/zinc/55/22/89/538552289.db2.gz FNPKFLQLCDXMNH-UHFFFAOYSA-N 0 0 223.301 2.130 10 0 BEAERN C[C@@H](Nc1ccnc(C(N)=O)c1)c1cccs1 ZINC000035737103 356705859 /nfs/dbraw/zinc/70/58/59/356705859.db2.gz PEBNLDZDGXAKOE-MRVPVSSYSA-N 0 0 247.323 2.415 10 0 BEAERN COc1ccc2c(c1)C[C@H](C(=O)C(C)C)O2 ZINC000675081883 538523634 /nfs/dbraw/zinc/52/36/34/538523634.db2.gz YDHLXAYFMMFHSM-GFCCVEGCSA-N 0 0 220.268 2.224 10 0 BEAERN Nc1nn(CC2CCC2)cc1Br ZINC000083838935 538526158 /nfs/dbraw/zinc/52/61/58/538526158.db2.gz AFMMTBAQXBIMHV-UHFFFAOYSA-N 0 0 230.109 2.028 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCCC[C@@H]2C(C)C ZINC000125956475 538527453 /nfs/dbraw/zinc/52/74/53/538527453.db2.gz KMZIADNMBYHSJL-JFGNBEQYSA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC[C@H](C)CC2 ZINC000084324562 538530467 /nfs/dbraw/zinc/53/04/67/538530467.db2.gz FSEJSGQGNCKLCK-NHCYSSNCSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)C1=C(O)C2(CCCC2)CCC1 ZINC000088247640 538571357 /nfs/dbraw/zinc/57/13/57/538571357.db2.gz DCMFWBFWNUXONG-SECBINFHSA-N 0 0 210.273 2.089 10 0 BEAERN CC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000222449676 538576896 /nfs/dbraw/zinc/57/68/96/538576896.db2.gz LMNSPUSPSMXCNE-GFCCVEGCSA-N 0 0 227.304 2.365 10 0 BEAERN CCC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000224315522 538596306 /nfs/dbraw/zinc/59/63/06/538596306.db2.gz ZFXYGTPEWSAMSJ-UHFFFAOYSA-N 0 0 213.277 2.023 10 0 BEAERN CCc1nn(CCC2CC2)c(CC)c1N ZINC000132674315 538599309 /nfs/dbraw/zinc/59/93/09/538599309.db2.gz PWJYEMMYIUTWTH-UHFFFAOYSA-N 0 0 207.321 2.390 10 0 BEAERN C[C@H](CC(=O)C1CC1)NC(=O)OC(C)(C)C ZINC000166409597 538728653 /nfs/dbraw/zinc/72/86/53/538728653.db2.gz HNSDLDGAZIXDLJ-MRVPVSSYSA-N 0 0 227.304 2.269 10 0 BEAERN CC1CC(C(=O)N2CCC[C@@H](C)[C@H]2CCO)C1 ZINC000618014555 356875440 /nfs/dbraw/zinc/87/54/40/356875440.db2.gz PECNHOHABLRGMF-POOIEITISA-N 0 0 239.359 2.042 10 0 BEAERN CCc1cccc2c3c([nH]c21)[C@H](C(=O)[O-])[NH2+]CC3 ZINC000257586863 538737722 /nfs/dbraw/zinc/73/77/22/538737722.db2.gz ABYDUPCWLWUYKZ-CYBMUJFWSA-N 0 0 244.294 2.002 10 0 BEAERN Cc1ccc([C@@H]([NH3+])C(C)(C)C(=O)[O-])cc1 ZINC000214825690 356965689 /nfs/dbraw/zinc/96/56/89/356965689.db2.gz OSAABJDFDOQVJA-SNVBAGLBSA-N 0 0 207.273 2.106 10 0 BEAERN Cc1nc(Br)cc(OCC2CC2)n1 ZINC000160433601 356971839 /nfs/dbraw/zinc/97/18/39/356971839.db2.gz RXWKNCJBTQRKOK-UHFFFAOYSA-N 0 0 243.104 2.336 10 0 BEAERN Cc1nc(Br)cc(NCC2CC2)n1 ZINC000160529221 357035907 /nfs/dbraw/zinc/03/59/07/357035907.db2.gz DPWGHZYBWZFJRO-UHFFFAOYSA-N 0 0 242.120 2.369 10 0 BEAERN O[C@H]1CCOc2c(F)ccc(Br)c21 ZINC000160506678 357019337 /nfs/dbraw/zinc/01/93/37/357019337.db2.gz PKTMYKHVYWNREG-ZETCQYMHSA-N 0 0 247.063 2.404 10 0 BEAERN CCCCSCCC(=O)N[C@@H]1C[C@H]1C ZINC000120971410 357070133 /nfs/dbraw/zinc/07/01/33/357070133.db2.gz ZGVMQROAQHLXMU-NXEZZACHSA-N 0 0 215.362 2.434 10 0 BEAERN O[C@]1(c2ccc(Br)cc2)CCOC1 ZINC000258283745 538779686 /nfs/dbraw/zinc/77/96/86/538779686.db2.gz OTJRTHFIECDKPQ-SNVBAGLBSA-N 0 0 243.100 2.057 10 0 BEAERN O=Cc1cc(-n2cc(Cl)cn2)cs1 ZINC000160577044 357080078 /nfs/dbraw/zinc/08/00/78/357080078.db2.gz WVZMNAGCOVTEPW-UHFFFAOYSA-N 0 0 212.661 2.400 10 0 BEAERN C[C@@H](Nc1cc(Br)ncn1)C1CC1 ZINC000160576224 357081518 /nfs/dbraw/zinc/08/15/18/357081518.db2.gz ZXRYTZGXKYVNPW-ZCFIWIBFSA-N 0 0 242.120 2.450 10 0 BEAERN CCc1nccn1-c1ccc(C=O)s1 ZINC000160578613 357083712 /nfs/dbraw/zinc/08/37/12/357083712.db2.gz OHLMNQUTDYCQDY-UHFFFAOYSA-N 0 0 206.270 2.309 10 0 BEAERN CC[C@@H](N[C@@H](C)c1csc(C)n1)C(=O)OC ZINC000303589600 357136981 /nfs/dbraw/zinc/13/69/81/357136981.db2.gz VMADDQYNGIVLPT-IONNQARKSA-N 0 0 242.344 2.054 10 0 BEAERN Cc1nc(N2CC(n3cccn3)C2)sc1C ZINC000585570106 538802980 /nfs/dbraw/zinc/80/29/80/538802980.db2.gz HRRSOPTUAVXIKV-UHFFFAOYSA-N 0 0 234.328 2.018 10 0 BEAERN Cc1nnc(Sc2csc(C=O)c2)o1 ZINC000160633247 357150859 /nfs/dbraw/zinc/15/08/59/357150859.db2.gz GQXOUAFKIWDCQY-UHFFFAOYSA-N 0 0 226.282 2.403 10 0 BEAERN Cc1nnc(Sc2ccc(C=O)s2)n1C ZINC000160637026 357151579 /nfs/dbraw/zinc/15/15/79/357151579.db2.gz YJSAOBBSCPUILG-UHFFFAOYSA-N 0 0 239.325 2.149 10 0 BEAERN Fc1ccccc1Cc1noc(Cl)n1 ZINC000053750014 357166703 /nfs/dbraw/zinc/16/67/03/357166703.db2.gz PXUVQENTWFYISY-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN CC[C@@H](O)c1ccc(Br)cn1 ZINC000129995586 357127673 /nfs/dbraw/zinc/12/76/73/357127673.db2.gz KMVVFDVIZCJRMU-MRVPVSSYSA-N 0 0 216.078 2.288 10 0 BEAERN Cc1ccc(Cn2cc(C=O)cn2)cc1 ZINC000035412612 357230691 /nfs/dbraw/zinc/23/06/91/357230691.db2.gz RVSRSMWMTFWNOX-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000211511427 357182081 /nfs/dbraw/zinc/18/20/81/357182081.db2.gz XJZKNRYQYDOWLZ-AAEUAGOBSA-N 0 0 233.311 2.229 10 0 BEAERN COC(=O)c1cc2ccc(F)c(F)c2o1 ZINC000260207098 538840441 /nfs/dbraw/zinc/84/04/41/538840441.db2.gz RXHRQXJSJRGNSK-UHFFFAOYSA-N 0 0 212.151 2.498 10 0 BEAERN C[C@@H]1CC[C@@H](C)N1C(=O)NCc1cscn1 ZINC000131611925 325170092 /nfs/dbraw/zinc/17/00/92/325170092.db2.gz VDTGAWKRUBNXFD-RKDXNWHRSA-N 0 0 239.344 2.226 10 0 BEAERN CC(C)CCCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188230084 357535411 /nfs/dbraw/zinc/53/54/11/357535411.db2.gz BVGLBVHPHVVKAK-VXGBXAGGSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccncc2)o1 ZINC000230641971 357543656 /nfs/dbraw/zinc/54/36/56/357543656.db2.gz VRAILVOEZCXPPY-JTQLQIEISA-N 0 0 217.272 2.229 10 0 BEAERN CCC(=CC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)CC ZINC000188538037 357559263 /nfs/dbraw/zinc/55/92/63/357559263.db2.gz CYXJZKYGPJLZEW-JHJVBQTASA-N 0 0 237.343 2.417 10 0 BEAERN NC(=O)c1cc2sccc2nc1C(F)(F)F ZINC000001495705 181292081 /nfs/dbraw/zinc/29/20/81/181292081.db2.gz DXQWSRCTIRQWPS-UHFFFAOYSA-N 0 0 246.213 2.414 10 0 BEAERN C/C=C/CN[C@@H](C(=O)OC)c1ccccc1 ZINC000050507767 357628759 /nfs/dbraw/zinc/62/87/59/357628759.db2.gz BQGXAGICAJOLMH-AAOUONPWSA-N 0 0 219.284 2.066 10 0 BEAERN Cc1cnc([C@@H](C)NCc2cncc(F)c2)o1 ZINC000230955271 357585956 /nfs/dbraw/zinc/58/59/56/357585956.db2.gz RNYYNAIAUACNRG-SECBINFHSA-N 0 0 235.262 2.368 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@H]1C ZINC000188861947 357593549 /nfs/dbraw/zinc/59/35/49/357593549.db2.gz YCFPYQCZDUXBDK-WRWGMCAJSA-N 0 0 225.332 2.058 10 0 BEAERN CCOC(CC(=O)[C@@H]1C[C@@H]1C)OCC ZINC000321397471 538869780 /nfs/dbraw/zinc/86/97/80/538869780.db2.gz FAGOQCBPRFJTLZ-DTWKUNHWSA-N 0 0 200.278 2.001 10 0 BEAERN CCC1(CNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000188983865 357598145 /nfs/dbraw/zinc/59/81/45/357598145.db2.gz IBZMJOQQPSWBAZ-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN CCC[C@@H]1CN(C(=O)N[C@@H](C)C(C)C)CCO1 ZINC000159184718 538874973 /nfs/dbraw/zinc/87/49/73/538874973.db2.gz RGZKTZBUXAJVBC-NWDGAFQWSA-N 0 0 242.363 2.241 10 0 BEAERN Cc1cnc([C@@H](C)N[C@@H]2CCSC2)o1 ZINC000231532144 357609176 /nfs/dbraw/zinc/60/91/76/357609176.db2.gz IXUJHOPYYVCWAF-RKDXNWHRSA-N 0 0 212.318 2.139 10 0 BEAERN Cc1cnc([C@@H](C)N[C@H]2CCSC2)o1 ZINC000231532181 357609386 /nfs/dbraw/zinc/60/93/86/357609386.db2.gz IXUJHOPYYVCWAF-BDAKNGLRSA-N 0 0 212.318 2.139 10 0 BEAERN CC1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000232226988 357653853 /nfs/dbraw/zinc/65/38/53/357653853.db2.gz ZZXZEJCJEKQKLY-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN Cc1nn(C)cc1NC(=O)N1CCC2(CCC2)C1 ZINC000189705377 357654939 /nfs/dbraw/zinc/65/49/39/357654939.db2.gz UIRAWHSMCUNYNG-UHFFFAOYSA-N 0 0 248.330 2.136 10 0 BEAERN CC(C)c1csc(-c2c(N)cnn2C)n1 ZINC000685948547 538890811 /nfs/dbraw/zinc/89/08/11/538890811.db2.gz QCPPWEPICZGBIB-UHFFFAOYSA-N 0 0 222.317 2.249 10 0 BEAERN CCOC[C@@H](NC(=O)N[C@H](C)C(C)C)C(C)C ZINC000189716844 357664191 /nfs/dbraw/zinc/66/41/91/357664191.db2.gz KZZLWKAYDHWKGT-VXGBXAGGSA-N 0 0 244.379 2.391 10 0 BEAERN CC[C@H](CSC)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189998366 357680015 /nfs/dbraw/zinc/68/00/15/357680015.db2.gz BYFZAHAYTWDADL-GMTAPVOTSA-N 0 0 245.388 2.059 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CCCC1 ZINC000189728164 357665939 /nfs/dbraw/zinc/66/59/39/357665939.db2.gz YLDHCZGAMVYPEB-WCQYABFASA-N 0 0 237.343 2.418 10 0 BEAERN CCOCCN1C(=S)N=NC1[C@H](C)CC ZINC000685950330 538893816 /nfs/dbraw/zinc/89/38/16/538893816.db2.gz XGJDDPNRNXOCQQ-MRVPVSSYSA-N 0 0 229.349 2.117 10 0 BEAERN CCOCCN1C(=S)N=NC1[C@@H](C)CC ZINC000685950332 538893818 /nfs/dbraw/zinc/89/38/18/538893818.db2.gz XGJDDPNRNXOCQQ-QMMMGPOBSA-N 0 0 229.349 2.117 10 0 BEAERN COC(=O)[C@@H]1COc2cc(C)cc(Cl)c21 ZINC000685951804 538895165 /nfs/dbraw/zinc/89/51/65/538895165.db2.gz FVEGVTMCAKKPGR-SSDOTTSWSA-N 0 0 226.659 2.297 10 0 BEAERN COC(=O)[C@@H]1COc2cc(F)c(Cl)cc21 ZINC000685951644 538895227 /nfs/dbraw/zinc/89/52/27/538895227.db2.gz DNFFLQNFGYEKDU-ZCFIWIBFSA-N 0 0 230.622 2.128 10 0 BEAERN CCC[C@@H](c1n[nH]nc1C(=O)OC)C(C)C ZINC000685952877 538895573 /nfs/dbraw/zinc/89/55/73/538895573.db2.gz DVZXMBWGQRINDM-MRVPVSSYSA-N 0 0 225.292 2.131 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190474001 357710202 /nfs/dbraw/zinc/71/02/02/357710202.db2.gz ODTKEGGLZFZBSM-GRYCIOLGSA-N 0 0 227.348 2.496 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC=CCC1 ZINC000190246227 357697249 /nfs/dbraw/zinc/69/72/49/357697249.db2.gz SCDQBAGYJWKIMP-RWMBFGLXSA-N 0 0 237.343 2.274 10 0 BEAERN CCCN(CCC)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190304012 357700041 /nfs/dbraw/zinc/70/00/41/357700041.db2.gz VMMKKWZAQVFWQV-VXGBXAGGSA-N 0 0 227.348 2.450 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190381847 357705143 /nfs/dbraw/zinc/70/51/43/357705143.db2.gz VAENFSVSDUSESJ-FDYHWXHSSA-N 0 0 239.359 2.449 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190862483 357727816 /nfs/dbraw/zinc/72/78/16/357727816.db2.gz DETLOAWWCGFOBJ-AXFHLTTASA-N 0 0 213.321 2.058 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000191431450 357770396 /nfs/dbraw/zinc/77/03/96/357770396.db2.gz OIWCVZVNLDPOQV-SCZZXKLOSA-N 0 0 247.285 2.058 10 0 BEAERN CCCCN(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191737133 357792834 /nfs/dbraw/zinc/79/28/34/357792834.db2.gz GLMHFKPENIKOCU-GHMZBOCLSA-N 0 0 213.321 2.060 10 0 BEAERN CSCCCCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000191923380 357804871 /nfs/dbraw/zinc/80/48/71/357804871.db2.gz MVVFWHHQXAXXFC-MNOVXSKESA-N 0 0 245.388 2.061 10 0 BEAERN CSCCCCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000191923372 357805330 /nfs/dbraw/zinc/80/53/30/357805330.db2.gz MVVFWHHQXAXXFC-WDEREUQCSA-N 0 0 245.388 2.061 10 0 BEAERN CCN(CC1CC1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191629170 357780517 /nfs/dbraw/zinc/78/05/17/357780517.db2.gz JZPGSMLEVIZEPV-ZYHUDNBSSA-N 0 0 225.332 2.060 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H]2CC[C@@H](C)O2)o1 ZINC000235316665 357865121 /nfs/dbraw/zinc/86/51/21/357865121.db2.gz KIDIVRBVKRXEKP-MIMYLULJSA-N 0 0 224.304 2.201 10 0 BEAERN O[C@@H]1CCCC[C@@H]1n1nccc1-c1cccnc1 ZINC000193094860 357867062 /nfs/dbraw/zinc/86/70/62/357867062.db2.gz QBZSSCUKROELJR-UONOGXRCSA-N 0 0 243.310 2.421 10 0 BEAERN O[C@H]1CCCC[C@H]1n1nccc1-c1ccncc1 ZINC000193095156 357867145 /nfs/dbraw/zinc/86/71/45/357867145.db2.gz XXQGJRYGSCBXOI-KGLIPLIRSA-N 0 0 243.310 2.421 10 0 BEAERN Nc1ccc(F)c(C(=O)NCc2ccccc2)c1 ZINC000035651361 358013006 /nfs/dbraw/zinc/01/30/06/358013006.db2.gz SUNWLZUWPIXQBO-UHFFFAOYSA-N 0 0 244.269 2.338 10 0 BEAERN Cc1cc(N)cc(CNC(=O)C2CC(C)C2)c1 ZINC000584524450 358039004 /nfs/dbraw/zinc/03/90/04/358039004.db2.gz FTJRJMGSXCBONU-UHFFFAOYSA-N 0 0 232.327 2.240 10 0 BEAERN CCOC(=O)c1ccn(-c2ccoc2)c1 ZINC000584636077 358119363 /nfs/dbraw/zinc/11/93/63/358119363.db2.gz SFIBBYVFRUYUEE-UHFFFAOYSA-N 0 0 205.213 2.247 10 0 BEAERN CCOC1CCN(c2cc(F)ccc2N)CC1 ZINC000052120955 535399269 /nfs/dbraw/zinc/39/92/69/535399269.db2.gz MXAUKDNUAQMZER-UHFFFAOYSA-N 0 0 238.306 2.413 10 0 BEAERN C[C@H]1CSC[C@]1(O)c1cccc(F)c1 ZINC000307523584 491123176 /nfs/dbraw/zinc/12/31/76/491123176.db2.gz DSLWTKRKUTVPQD-GZMMTYOYSA-N 0 0 212.289 2.396 10 0 BEAERN CSc1nc2scnc2c(Cl)n1 ZINC000222017577 358146274 /nfs/dbraw/zinc/14/62/74/358146274.db2.gz UPOUATGVSALCHX-UHFFFAOYSA-N 0 0 217.706 2.462 10 0 BEAERN CCCN(Cc1nnc(C2CC2)n1C)C1CC1 ZINC000171678419 134257545 /nfs/dbraw/zinc/25/75/45/134257545.db2.gz ZEFATWBHNMBMRX-UHFFFAOYSA-N 0 0 234.347 2.067 10 0 BEAERN CCCCCNC(=O)N1CCS[C@@H](C)C1 ZINC000171728811 134260587 /nfs/dbraw/zinc/26/05/87/134260587.db2.gz KKBIXLQKYZUXPT-JTQLQIEISA-N 0 0 230.377 2.324 10 0 BEAERN CNC(=O)[C@H]1CC12C1CC3CC(C1)CC2C3 ZINC000038917654 358211849 /nfs/dbraw/zinc/21/18/49/358211849.db2.gz YMOHCAFUUJDHFN-MYHLZPBCSA-N 0 0 219.328 2.195 10 0 BEAERN CCOC(=O)[C@H](C#N)Cc1c(C)cc(O)cc1C ZINC000039171399 358219567 /nfs/dbraw/zinc/21/95/67/358219567.db2.gz XCXSCWIDHSIAGO-NSHDSACASA-N 0 0 247.294 2.254 10 0 BEAERN CCOC(=O)/C(=C/c1ccccc1OC)C(C)=O ZINC000039271800 358224917 /nfs/dbraw/zinc/22/49/17/358224917.db2.gz GCWGJFJVTDRRNB-FMIVXFBMSA-N 0 0 248.278 2.231 10 0 BEAERN C[C@@H]1OC(=O)C[C@@H]1Sc1ccccc1 ZINC000040442793 358236262 /nfs/dbraw/zinc/23/62/62/358236262.db2.gz CRFRWRWBBAVMGO-WPRPVWTQSA-N 0 0 208.282 2.483 10 0 BEAERN COC(=O)[C@@H](Nc1ccccc1)C(C)C ZINC000041049533 358241163 /nfs/dbraw/zinc/24/11/63/358241163.db2.gz IVVVXRUYXUQIHQ-NSHDSACASA-N 0 0 207.273 2.296 10 0 BEAERN COc1ccc2c(c1)nc(C(C)C)[nH]c2=O ZINC000225234046 358247705 /nfs/dbraw/zinc/24/77/05/358247705.db2.gz TUKMRAWHBUHZTN-UHFFFAOYSA-N 0 0 218.256 2.467 10 0 BEAERN CC(=O)NC/C=C\c1ccccc1Cl ZINC000584611560 358275506 /nfs/dbraw/zinc/27/55/06/358275506.db2.gz INSDXYRQSBQXRN-XQRVVYSFSA-N 0 0 209.676 2.489 10 0 BEAERN CCOC(=O)/C(=C\[N+](=O)[O-])c1ccc(C)cc1 ZINC000584611456 358275773 /nfs/dbraw/zinc/27/57/73/358275773.db2.gz IFDHNNXUDFRYGP-FLIBITNWSA-N 0 0 235.239 2.176 10 0 BEAERN Cc1csc(C2=NNC(=O)[C@@H]3C=CC=C[C@@H]23)c1 ZINC000584612849 358276495 /nfs/dbraw/zinc/27/64/95/358276495.db2.gz OLIQCIVIDJGJQZ-NXEZZACHSA-N 0 0 244.319 2.249 10 0 BEAERN COc1ccc2c(c1Cl)C(=O)N[C@H](C)C2 ZINC000584613003 358276846 /nfs/dbraw/zinc/27/68/46/358276846.db2.gz HDEQHTQLPIINON-ZCFIWIBFSA-N 0 0 225.675 2.023 10 0 BEAERN CCOC(=O)COc1ccc(C=O)c(C)c1C ZINC000584591314 358249729 /nfs/dbraw/zinc/24/97/29/358249729.db2.gz IFACNLXJLTVKHK-UHFFFAOYSA-N 0 0 236.267 2.058 10 0 BEAERN COC(=O)[C@H]1CCC[C@](C(=O)OC)(C(C)C)C1 ZINC000584615255 358279792 /nfs/dbraw/zinc/27/97/92/358279792.db2.gz XBBPJCGIXSVFDS-GXFFZTMASA-N 0 0 242.315 2.165 10 0 BEAERN Cc1ccccc1C1(O)CCC(O)CC1 ZINC000584615230 358279814 /nfs/dbraw/zinc/27/98/14/358279814.db2.gz MTNYYLPYOXCLND-UHFFFAOYSA-N 0 0 206.285 2.118 10 0 BEAERN CCOc1cc(Br)cc(CO)c1 ZINC000584595781 358253139 /nfs/dbraw/zinc/25/31/39/358253139.db2.gz SIBSBRLAHOKZSI-UHFFFAOYSA-N 0 0 231.089 2.340 10 0 BEAERN Cc1cc(C23CCC(CO)(CC2)CC3)ncn1 ZINC000584599910 358256505 /nfs/dbraw/zinc/25/65/05/358256505.db2.gz YNVIYUWPZSIVDJ-UHFFFAOYSA-N 0 0 232.327 2.369 10 0 BEAERN CC(C)(C)OC(=O)Nc1nccc2c1COC2 ZINC000584600905 358257793 /nfs/dbraw/zinc/25/77/93/358257793.db2.gz PLCWNUUSNSFEPB-UHFFFAOYSA-N 0 0 236.271 2.459 10 0 BEAERN CC[C@H]1c2ccc3c(c2COC1=O)C(=O)CC3 ZINC000584601316 358258088 /nfs/dbraw/zinc/25/80/88/358258088.db2.gz BUISTEWCVFCHKQ-VIFPVBQESA-N 0 0 230.263 2.366 10 0 BEAERN CO[C@@H]1C[C@H](OCc2ccccc2)[C@@H](C)O1 ZINC000584601791 358259571 /nfs/dbraw/zinc/25/95/71/358259571.db2.gz ASXNFYGRGJWZTE-WXHSDQCUSA-N 0 0 222.284 2.353 10 0 BEAERN CCO[P@@](N)(=O)c1c(C)cc(C)cc1C ZINC000584603230 358261306 /nfs/dbraw/zinc/26/13/06/358261306.db2.gz PYFMNGLYVOQXFX-HNNXBMFYSA-N 0 0 227.244 2.425 10 0 BEAERN CCO[P@@](N)(=O)c1c(C)cccc1C ZINC000584602957 358261405 /nfs/dbraw/zinc/26/14/05/358261405.db2.gz CJRHAEOQOOFPOW-AWEZNQCLSA-N 0 0 213.217 2.117 10 0 BEAERN CCO[P@@](=O)(CC)c1cccc(N)c1 ZINC000584603597 358262414 /nfs/dbraw/zinc/26/24/14/358262414.db2.gz HUGWZKWVBPDRGW-AWEZNQCLSA-N 0 0 213.217 2.229 10 0 BEAERN CCCCCCc1cc(C(=O)OC)n[nH]1 ZINC000584606618 358265932 /nfs/dbraw/zinc/26/59/32/358265932.db2.gz NCJGDBVUMURCOW-UHFFFAOYSA-N 0 0 210.277 2.319 10 0 BEAERN COC(=O)c1[nH]c2ccccc2c1N(C)C ZINC000584606776 358266471 /nfs/dbraw/zinc/26/64/71/358266471.db2.gz SDWNHUFAQRRLGL-UHFFFAOYSA-N 0 0 218.256 2.021 10 0 BEAERN O=C(Nc1cccc2[nH]ccc21)OC[C@H]1CO1 ZINC000584608428 358269024 /nfs/dbraw/zinc/26/90/24/358269024.db2.gz QFABZWGJTMZYJS-MRVPVSSYSA-N 0 0 232.239 2.115 10 0 BEAERN COc1ccc(F)cc1/C=C/COC(C)=O ZINC000584609907 358271910 /nfs/dbraw/zinc/27/19/10/358271910.db2.gz OFBGNQNGIXARJW-ONEGZZNKSA-N 0 0 224.231 2.411 10 0 BEAERN CCOC(=O)CCC/C(C)=C(\C)CO ZINC000584610209 358272518 /nfs/dbraw/zinc/27/25/18/358272518.db2.gz NDXCUXKXNXUTTQ-MDZDMXLPSA-N 0 0 200.278 2.049 10 0 BEAERN O=C1C[C@@H](C(F)(F)F)N1c1ccc(F)cc1 ZINC000584610653 358273743 /nfs/dbraw/zinc/27/37/43/358273743.db2.gz DAFNSRKXQNTXHL-QMMMGPOBSA-N 0 0 233.164 2.493 10 0 BEAERN CN1Cc2c(cc(Br)cc2F)C1=O ZINC000584619049 358285256 /nfs/dbraw/zinc/28/52/56/358285256.db2.gz BRFMCAMGZRBLRH-UHFFFAOYSA-N 0 0 244.063 2.174 10 0 BEAERN CCC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC000584619706 358286326 /nfs/dbraw/zinc/28/63/26/358286326.db2.gz LDBSXWIVXIMZJY-UHFFFAOYSA-N 0 0 242.278 2.047 10 0 BEAERN Cn1c(C(F)(F)F)cc(=O)n1-c1ccccc1 ZINC000584619891 358286738 /nfs/dbraw/zinc/28/67/38/358286738.db2.gz KEFDRDCLCVYBFS-UHFFFAOYSA-N 0 0 242.200 2.195 10 0 BEAERN O=c1[nH]c2ccc(Br)c(F)c2o1 ZINC000584621455 358288587 /nfs/dbraw/zinc/28/85/87/358288587.db2.gz JJIGTBBVWMQRSW-UHFFFAOYSA-N 0 0 232.008 2.435 10 0 BEAERN CCc1cc(C(=O)N2CCC[C@@H]2C)c(=O)[nH]c1C ZINC000584622180 358290164 /nfs/dbraw/zinc/29/01/64/358290164.db2.gz ZGKOTXXLBGHAGO-VIFPVBQESA-N 0 0 248.326 2.283 10 0 BEAERN CCCS(=O)(=O)c1cc2ccccc2[nH]1 ZINC000584622312 358290171 /nfs/dbraw/zinc/29/01/71/358290171.db2.gz JEASLOMMAYRZEE-UHFFFAOYSA-N 0 0 223.297 2.352 10 0 BEAERN Nc1c2nc(Cl)ncc2nn1-c1ccccc1 ZINC000584625275 358294111 /nfs/dbraw/zinc/29/41/11/358294111.db2.gz JPIARNXWVVMNAP-UHFFFAOYSA-N 0 0 245.673 2.051 10 0 BEAERN CN(C)c1nc(/C=C/[C@H]2CCOC2)cs1 ZINC000584625364 358294326 /nfs/dbraw/zinc/29/43/26/358294326.db2.gz RVEZRDRFGCNURJ-NWALNABHSA-N 0 0 224.329 2.259 10 0 BEAERN COc1ccc2c(c1)[C@H](C(F)F)CO2 ZINC000584629630 358298927 /nfs/dbraw/zinc/29/89/27/358298927.db2.gz LVRBHTMNFYNWNB-MRVPVSSYSA-N 0 0 200.184 2.436 10 0 BEAERN Nc1nc(Br)c(C(F)(F)F)s1 ZINC000584629928 358298935 /nfs/dbraw/zinc/29/89/35/358298935.db2.gz BDILASCZMQCAFC-UHFFFAOYSA-N 0 0 247.039 2.337 10 0 BEAERN O=C1CC[C@H]([C@H]2CCc3ccccc3C2)N1 ZINC000584630292 358299639 /nfs/dbraw/zinc/29/96/39/358299639.db2.gz XENQLKWKCQKOLP-QWHCGFSZSA-N 0 0 215.296 2.070 10 0 BEAERN O=C1CCC2(CC(=O)N1)C1CC3CC(C1)CC2C3 ZINC000584650532 358304952 /nfs/dbraw/zinc/30/49/52/358304952.db2.gz RLDLJQMKADNVTH-UHFFFAOYSA-N 0 0 247.338 2.256 10 0 BEAERN CC(=O)[C@@H]1C[C@]12Cc1ccccc1C2=O ZINC000584651193 358306427 /nfs/dbraw/zinc/30/64/27/358306427.db2.gz WMDQLOOUSBNWTK-WCQYABFASA-N 0 0 200.237 2.021 10 0 BEAERN COc1ncccc1C(=O)Sc1ccccn1 ZINC000584651753 358307072 /nfs/dbraw/zinc/30/70/72/358307072.db2.gz SSWAGPKLMBETDL-UHFFFAOYSA-N 0 0 246.291 2.418 10 0 BEAERN c1ccc([C@H]2N=C(CN3CCCCC3)ON2)cc1 ZINC000584652523 358307760 /nfs/dbraw/zinc/30/77/60/358307760.db2.gz OECBVUOWXSPXEZ-AWEZNQCLSA-N 0 0 245.326 2.104 10 0 BEAERN CC[C@@]1(C)OC(=O)c2ccc(OC)cc21 ZINC000584631997 358314151 /nfs/dbraw/zinc/31/41/51/358314151.db2.gz FMZIZUWLYRYHDW-GFCCVEGCSA-N 0 0 206.241 2.491 10 0 BEAERN CC(C)(C)OC(=O)[C@@]1(Cl)CCCC1=O ZINC000584656771 358308324 /nfs/dbraw/zinc/30/83/24/358308324.db2.gz NOAGIHODUZZBCB-SNVBAGLBSA-N 0 0 218.680 2.059 10 0 BEAERN C[C@@H]1CC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000584657024 358309018 /nfs/dbraw/zinc/30/90/18/358309018.db2.gz URWJAJDMICZZHB-KOLCDFICSA-N 0 0 210.298 2.259 10 0 BEAERN CCOc1c(C)c(C)nc(=O)c(C)c1C ZINC000584657485 358309370 /nfs/dbraw/zinc/30/93/70/358309370.db2.gz ODINDJWIHROKTH-UHFFFAOYSA-N 0 0 207.273 2.074 10 0 BEAERN CC(=O)O[C@H]1C=C[C@H]2OC(C)(C)C[C@H]2C1 ZINC000584658156 358310104 /nfs/dbraw/zinc/31/01/04/358310104.db2.gz OQSJFSLRXBHFIJ-OUAUKWLOSA-N 0 0 210.273 2.062 10 0 BEAERN CCOC(=O)CC[C@H]1CCC=CN1C(=O)OC ZINC000584658646 358310509 /nfs/dbraw/zinc/31/05/09/358310509.db2.gz DTDBYNYTIJPMMB-SNVBAGLBSA-N 0 0 241.287 2.074 10 0 BEAERN Cc1nc(Cl)cc(NCC2(CCO)CC2)n1 ZINC000133018914 491127553 /nfs/dbraw/zinc/12/75/53/491127553.db2.gz GKCATRJMFDNDOE-UHFFFAOYSA-N 0 0 241.722 2.013 10 0 BEAERN CCOC(=S)SCC(=O)C1CCC1 ZINC000584645105 358330205 /nfs/dbraw/zinc/33/02/05/358330205.db2.gz SUBJHMSLLXZKPE-UHFFFAOYSA-N 0 0 218.343 2.410 10 0 BEAERN CC[C@@H]1C[C@@H](OC(=O)c2ccccc2)CO1 ZINC000584645195 358330261 /nfs/dbraw/zinc/33/02/61/358330261.db2.gz UFBCMUUKXRZBAZ-VXGBXAGGSA-N 0 0 220.268 2.411 10 0 BEAERN COc1cccc(C2=CC[C@@H](CO)C2)c1 ZINC000584632051 358314831 /nfs/dbraw/zinc/31/48/31/358314831.db2.gz GEOZFUSRPUOHMG-SNVBAGLBSA-N 0 0 204.269 2.481 10 0 BEAERN NC(=O)[C@H]1CCc2c(sc3ccccc32)C1 ZINC000584632088 358314850 /nfs/dbraw/zinc/31/48/50/358314850.db2.gz GUSZCWOEHWBAIK-QMMMGPOBSA-N 0 0 231.320 2.492 10 0 BEAERN C[C@@H](NC(=O)c1ccc(C2CC2)[nH]c1=O)C1CC1 ZINC000584633054 358316120 /nfs/dbraw/zinc/31/61/20/358316120.db2.gz VPMJRCGPMZIIBP-MRVPVSSYSA-N 0 0 246.310 2.193 10 0 BEAERN CNC(=O)c1ccc(CCc2ccccc2)nc1 ZINC000584634109 358318230 /nfs/dbraw/zinc/31/82/30/358318230.db2.gz WCTXOIYYUIYGTL-UHFFFAOYSA-N 0 0 240.306 2.226 10 0 BEAERN Cc1nc(N)[nH]c(=O)c1CCC1CCCCC1 ZINC000584634296 358318573 /nfs/dbraw/zinc/31/85/73/358318573.db2.gz WUNUKUYNZRDQDF-UHFFFAOYSA-N 0 0 235.331 2.416 10 0 BEAERN COc1c2ccoc2c(OC)c(OC)c1OC ZINC000584634605 358318816 /nfs/dbraw/zinc/31/88/16/358318816.db2.gz OKAHHQZZSODGAS-UHFFFAOYSA-N 0 0 238.239 2.467 10 0 BEAERN CC(C)=CC[S@@](=O)c1ccc(O)cc1 ZINC000584635767 358319909 /nfs/dbraw/zinc/31/99/09/358319909.db2.gz SSNOXSOTDKFDRU-CQSZACIVSA-N 0 0 210.298 2.466 10 0 BEAERN O=c1c2ccccc2[nH]nc1-c1ccc(O)cc1 ZINC000584635953 358319940 /nfs/dbraw/zinc/31/99/40/358319940.db2.gz UIPXEGXLSIGWHX-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN CC[C@H]1C[C@H](O)Oc2c(C)c(O)ccc21 ZINC000584635931 358320083 /nfs/dbraw/zinc/32/00/83/358320083.db2.gz SRPILDQXFCZKRH-GZMMTYOYSA-N 0 0 208.257 2.295 10 0 BEAERN CC(C)=CC[S@](=O)c1ccc(O)cc1 ZINC000584635766 358320163 /nfs/dbraw/zinc/32/01/63/358320163.db2.gz SSNOXSOTDKFDRU-AWEZNQCLSA-N 0 0 210.298 2.466 10 0 BEAERN CCc1oc(-c2cccc(C)c2)nc1O ZINC000584638267 358323868 /nfs/dbraw/zinc/32/38/68/358323868.db2.gz HPISODQQTXRGRV-JTQLQIEISA-N 0 0 203.241 2.077 10 0 BEAERN CC[C@@]1(O)OC(=O)c2ccc(Cl)cc21 ZINC000584638410 358323910 /nfs/dbraw/zinc/32/39/10/358323910.db2.gz ZJVPPVFPDLBHTC-SNVBAGLBSA-N 0 0 212.632 2.066 10 0 BEAERN c1cc2c3c(c1)[C@@H](C1CC1)CCN3CC[NH2+]C2 ZINC000584640336 358326524 /nfs/dbraw/zinc/32/65/24/358326524.db2.gz YPASNLLLQIMLSM-CYBMUJFWSA-N 0 0 228.339 2.494 10 0 BEAERN CCOc1c(F)cccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000173032778 134272132 /nfs/dbraw/zinc/27/21/32/134272132.db2.gz VNRDTIAAYZVQHP-GZMMTYOYSA-N 0 0 237.274 2.363 10 0 BEAERN O=C(CC1CCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000173631691 134275753 /nfs/dbraw/zinc/27/57/53/134275753.db2.gz GXFUZMBOQUVKGA-UHFFFAOYSA-N 0 0 247.342 2.306 10 0 BEAERN FC(F)C(F)(F)CNc1ccccn1 ZINC000230711792 358410232 /nfs/dbraw/zinc/41/02/32/358410232.db2.gz XEPXZFJJKGDJPC-UHFFFAOYSA-N 0 0 208.158 2.394 10 0 BEAERN COc1c2ccc(Cl)cc2nn1C[C@@H](C)O ZINC000107081205 363608345 /nfs/dbraw/zinc/60/83/45/363608345.db2.gz FYDZMGXWKMANPQ-SSDOTTSWSA-N 0 0 240.690 2.079 10 0 BEAERN COc1c2ccc(Cl)cc2nn1C[C@H](C)O ZINC000107081201 363608477 /nfs/dbraw/zinc/60/84/77/363608477.db2.gz FYDZMGXWKMANPQ-ZETCQYMHSA-N 0 0 240.690 2.079 10 0 BEAERN C[C@H](N[C@@H](C)c1nccn1C)c1ccoc1 ZINC000132319267 491132250 /nfs/dbraw/zinc/13/22/50/491132250.db2.gz AUHCHJKZVZDBIN-UWVGGRQHSA-N 0 0 219.288 2.425 10 0 BEAERN COC[C@H](C)C(=O)N1CCC2(C1)CCCCC2 ZINC000174001682 134280065 /nfs/dbraw/zinc/28/00/65/134280065.db2.gz VBFFTCQWXJHGAL-LBPRGKRZSA-N 0 0 239.359 2.452 10 0 BEAERN CC(C)(C)[C@H](O)Cn1cnc2ccccc21 ZINC000044181703 358546044 /nfs/dbraw/zinc/54/60/44/358546044.db2.gz UFLJTPNVNIXCCK-GFCCVEGCSA-N 0 0 218.300 2.443 10 0 BEAERN CCOC(=O)[C@@H](F)c1cccc(F)c1 ZINC000086242897 358528609 /nfs/dbraw/zinc/52/86/09/358528609.db2.gz GXCQSFJXXPRQLU-VIFPVBQESA-N 0 0 200.184 2.399 10 0 BEAERN CC1(C(=O)Nc2cc(-c3ccncc3)[nH]n2)CC1 ZINC000129994174 358603752 /nfs/dbraw/zinc/60/37/52/358603752.db2.gz ZSPXMOZTBQLPMT-UHFFFAOYSA-N 0 0 242.282 2.210 10 0 BEAERN CC(C)(C)CC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000130855186 358650215 /nfs/dbraw/zinc/65/02/15/358650215.db2.gz SWQYCSHZJPAFQL-GHMZBOCLSA-N 0 0 227.348 2.232 10 0 BEAERN CCCCCC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000130881570 358651079 /nfs/dbraw/zinc/65/10/79/358651079.db2.gz NHHGHXFPWCRYRU-VXGBXAGGSA-N 0 0 227.348 2.377 10 0 BEAERN CCCCCC(=O)N1[C@H](C)COC[C@H]1C ZINC000131213876 358665891 /nfs/dbraw/zinc/66/58/91/358665891.db2.gz PCEQBHAYINBYRQ-GHMZBOCLSA-N 0 0 213.321 2.203 10 0 BEAERN COC[C@H](C)CNC(=O)Nc1ccccc1 ZINC000049176848 358674223 /nfs/dbraw/zinc/67/42/23/358674223.db2.gz MJUORZJSASWVPJ-SNVBAGLBSA-N 0 0 222.288 2.091 10 0 BEAERN CC(C)CC(=O)NCc1nccn1CC(C)C ZINC000131451073 358676407 /nfs/dbraw/zinc/67/64/07/358676407.db2.gz IMIZXIZNROZUHX-UHFFFAOYSA-N 0 0 237.347 2.201 10 0 BEAERN CC(C)CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000049268825 358678480 /nfs/dbraw/zinc/67/84/80/358678480.db2.gz SBPYAXMPSPWIOM-CHWSQXEVSA-N 0 0 232.327 2.498 10 0 BEAERN NC(=O)c1ccc(NC2CCCC2)cc1 ZINC000019911163 181298339 /nfs/dbraw/zinc/29/83/39/181298339.db2.gz IQQILOBSWPXQQS-UHFFFAOYSA-N 0 0 204.273 2.140 10 0 BEAERN Cc1cc(C)n([C@@H](C)C(=O)NC2CCCC2)n1 ZINC000049307164 358681871 /nfs/dbraw/zinc/68/18/71/358681871.db2.gz LNRNSCDEONETSL-NSHDSACASA-N 0 0 235.331 2.120 10 0 BEAERN CSCCCCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000133548150 358758594 /nfs/dbraw/zinc/75/85/94/358758594.db2.gz JMILSYZFHVOAKX-MNOVXSKESA-N 0 0 245.388 2.203 10 0 BEAERN Cc1cc(Cl)nc(C[C@H]2CCOC2)n1 ZINC000160813141 358763335 /nfs/dbraw/zinc/76/33/35/358763335.db2.gz KOABBYIGFVVWSU-MRVPVSSYSA-N 0 0 212.680 2.017 10 0 BEAERN CO[C@@H]1CCC[C@H]1NC(=O)NC1CCCCC1 ZINC000132268771 358715069 /nfs/dbraw/zinc/71/50/69/358715069.db2.gz IBAPPTYSZODJSW-VXGBXAGGSA-N 0 0 240.347 2.186 10 0 BEAERN CCCN(CCC)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132312706 358718329 /nfs/dbraw/zinc/71/83/29/358718329.db2.gz AAWFAMRFQYQWNZ-LLVKDONJSA-N 0 0 249.358 2.478 10 0 BEAERN COc1cccc(C(=O)NCc2cscn2)c1 ZINC000050407854 358729143 /nfs/dbraw/zinc/72/91/43/358729143.db2.gz NDDOHVSDMWCPEC-UHFFFAOYSA-N 0 0 248.307 2.082 10 0 BEAERN O=C(CCc1ccccc1)NCc1cscn1 ZINC000050407954 358729356 /nfs/dbraw/zinc/72/93/56/358729356.db2.gz VAHRVOSXCRANKU-UHFFFAOYSA-N 0 0 246.335 2.392 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000134969345 358812982 /nfs/dbraw/zinc/81/29/82/358812982.db2.gz YUGZMUCLXNDULJ-VIFPVBQESA-N 0 0 224.329 2.261 10 0 BEAERN CC[C@@H](Nc1nc(OC)cc(OC)n1)C(C)C ZINC000135000580 358815620 /nfs/dbraw/zinc/81/56/20/358815620.db2.gz UZXUTRHSJIGJHC-SECBINFHSA-N 0 0 239.319 2.340 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000052299183 358778198 /nfs/dbraw/zinc/77/81/98/358778198.db2.gz NXWWNXHDDQUSFJ-UFBFGSQYSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000052299187 358778316 /nfs/dbraw/zinc/77/83/16/358778316.db2.gz NXWWNXHDDQUSFJ-QPUJVOFHSA-N 0 0 214.268 2.306 10 0 BEAERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)NC1CCC1 ZINC000134456352 358790387 /nfs/dbraw/zinc/79/03/87/358790387.db2.gz BRUXEADXFXVXGA-CHWSQXEVSA-N 0 0 230.311 2.394 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)NC1CCC(C)CC1 ZINC000134462713 358790685 /nfs/dbraw/zinc/79/06/85/358790685.db2.gz ANRUMOIHEXZFOR-RSJDFQLWSA-N 0 0 240.347 2.042 10 0 BEAERN O=C(C[C@H]1C=CCC1)N1CCC[C@H]1CCCO ZINC000052759199 358792461 /nfs/dbraw/zinc/79/24/61/358792461.db2.gz SKKAYWLBXPJPIK-STQMWFEESA-N 0 0 237.343 2.106 10 0 BEAERN CCc1cc(C)c(C(=O)NCc2cc(C)no2)o1 ZINC000135268932 358828460 /nfs/dbraw/zinc/82/84/60/358828460.db2.gz YDMIENXASGUVOU-UHFFFAOYSA-N 0 0 248.282 2.377 10 0 BEAERN O=C(c1ccsn1)[C@@H]1CSCCS1 ZINC000306152345 358914858 /nfs/dbraw/zinc/91/48/58/358914858.db2.gz ACXBSSPODXXKGK-ZETCQYMHSA-N 0 0 231.367 2.174 10 0 BEAERN CCC(=O)NCc1ccc(SC)cc1 ZINC000055746604 358891936 /nfs/dbraw/zinc/89/19/36/358891936.db2.gz AWMOEGFSXDBCPU-UHFFFAOYSA-N 0 0 209.314 2.435 10 0 BEAERN CCCC(=O)N1CCC(OCC(C)C)CC1 ZINC000055909779 358892764 /nfs/dbraw/zinc/89/27/64/358892764.db2.gz IYUYAKZHBHRHDX-UHFFFAOYSA-N 0 0 227.348 2.450 10 0 BEAERN O[C@@]1(c2c(F)cccc2Cl)CCOC1 ZINC000306151946 358918154 /nfs/dbraw/zinc/91/81/54/358918154.db2.gz HYJABFVEQWSYIG-JTQLQIEISA-N 0 0 216.639 2.087 10 0 BEAERN O=c1cc[nH]c2c(OC(F)F)cccc12 ZINC000035731113 358918314 /nfs/dbraw/zinc/91/83/14/358918314.db2.gz SRFOMGCGOPIZPN-UHFFFAOYSA-N 0 0 211.167 2.130 10 0 BEAERN NC(=O)c1ccc(NC2CCC2)cc1Cl ZINC000044481567 181299037 /nfs/dbraw/zinc/29/90/37/181299037.db2.gz JFMYKKPDHFWVKW-UHFFFAOYSA-N 0 0 224.691 2.403 10 0 BEAERN Nc1nc2ccncc2n1Cc1ccccc1 ZINC000306169769 358978845 /nfs/dbraw/zinc/97/88/45/358978845.db2.gz AYNISLLAUFCHOS-UHFFFAOYSA-N 0 0 224.267 2.062 10 0 BEAERN C[C@@H]1CCC[C@H](CN2CN=NC2=S)C1 ZINC000300362226 358976899 /nfs/dbraw/zinc/97/68/99/358976899.db2.gz KWENOXBSFUNBIX-BDAKNGLRSA-N 0 0 211.334 2.393 10 0 BEAERN Cc1cc([C@H](O)C(C)(F)F)cnc1C ZINC000306156755 358946087 /nfs/dbraw/zinc/94/60/87/358946087.db2.gz CHBCGDQPAFOKHZ-VIFPVBQESA-N 0 0 201.216 2.387 10 0 BEAERN Cc1c2c(c(F)cc1Br)NC(=O)C2 ZINC000306157158 358948556 /nfs/dbraw/zinc/94/85/56/358948556.db2.gz JDLFVAKEAYCEPS-UHFFFAOYSA-N 0 0 244.063 2.391 10 0 BEAERN CCOc1nc2c[nH]cc(Br)c-2n1 ZINC000306169546 358977909 /nfs/dbraw/zinc/97/79/09/358977909.db2.gz GQAQQYNCPWDZBA-UHFFFAOYSA-N 0 0 242.076 2.119 10 0 BEAERN COc1ncc([C@H]2NC[C@@H](C)CS2)s1 ZINC000306158101 358953172 /nfs/dbraw/zinc/95/31/72/358953172.db2.gz DECCUPOPWKMGFQ-SVRRBLITSA-N 0 0 230.358 2.123 10 0 BEAERN CO[C@H]1CC[C@H](Nc2nsnc2Cl)C1 ZINC000300377505 358978222 /nfs/dbraw/zinc/97/82/22/358978222.db2.gz ADXUIXAFFFMJMD-WDSKDSINSA-N 0 0 233.724 2.171 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000068134678 358956012 /nfs/dbraw/zinc/95/60/12/358956012.db2.gz XUFBETUUQRMWRY-VHSXEESVSA-N 0 0 229.320 2.062 10 0 BEAERN CCN(CC1CC1)C(=O)N[C@@H](C)C(C)C ZINC000070057809 359039891 /nfs/dbraw/zinc/03/98/91/359039891.db2.gz VBFGVEMDFIXRFE-JTQLQIEISA-N 0 0 212.337 2.472 10 0 BEAERN C/C(=C\Cl)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300400830 358989864 /nfs/dbraw/zinc/98/98/64/358989864.db2.gz AQTNODKZJOGHEL-OKJFYCPLSA-N 0 0 231.723 2.314 10 0 BEAERN CSC1([C@@H](O)C2CCOCC2)CCC1 ZINC000306187640 359002911 /nfs/dbraw/zinc/00/29/11/359002911.db2.gz AHKRGAKQRXNMHE-JTQLQIEISA-N 0 0 216.346 2.060 10 0 BEAERN O=C1CCC[C@@H]1CCN1CCC(F)(F)C1 ZINC000306189245 359005591 /nfs/dbraw/zinc/00/55/91/359005591.db2.gz IQQPWUKCFICEGF-SECBINFHSA-N 0 0 217.259 2.087 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)C1CCCC1 ZINC000074913015 359135518 /nfs/dbraw/zinc/13/55/18/359135518.db2.gz AGFLEAQKTYCKGS-LBPRGKRZSA-N 0 0 231.295 2.427 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000075374036 359143782 /nfs/dbraw/zinc/14/37/82/359143782.db2.gz ZTLPWZPJOOIIFZ-CABZTGNLSA-N 0 0 243.310 2.481 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000246659928 359154500 /nfs/dbraw/zinc/15/45/00/359154500.db2.gz GPIJJQQRFMNMAJ-KOVQTIFSSA-N 0 0 231.295 2.076 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246691306 359157301 /nfs/dbraw/zinc/15/73/01/359157301.db2.gz HUDOBUCZXBUIDN-YNEHKIRRSA-N 0 0 239.359 2.449 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000246697256 359157703 /nfs/dbraw/zinc/15/77/03/359157703.db2.gz CLDAQHAVGWKNAN-QJPTWQEYSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000246744253 359161566 /nfs/dbraw/zinc/16/15/66/359161566.db2.gz FNOSJRAFCMBSKH-FVCCEPFGSA-N 0 0 239.359 2.496 10 0 BEAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@H]2CCCC[C@@H]21 ZINC000246905974 359174552 /nfs/dbraw/zinc/17/45/52/359174552.db2.gz NOPWBMHZLJPUCK-ZUWCUPBKSA-N 0 0 249.354 2.203 10 0 BEAERN CC(F)(F)CC(=O)Nc1ccc(Cl)nn1 ZINC000306202110 359292524 /nfs/dbraw/zinc/29/25/24/359292524.db2.gz LIOSAXZAAXDGTN-UHFFFAOYSA-N 0 0 235.621 2.114 10 0 BEAERN COc1ccc([C@@]2(O)CCS[C@@H]2C)s1 ZINC000306204290 359294411 /nfs/dbraw/zinc/29/44/11/359294411.db2.gz NGHAONFJWMUBFJ-GMSGAONNSA-N 0 0 230.354 2.470 10 0 BEAERN COC(=O)c1ccc(SC)c(C)c1N ZINC000169122799 359313850 /nfs/dbraw/zinc/31/38/50/359313850.db2.gz QSDWMYMYMYNDDE-UHFFFAOYSA-N 0 0 211.286 2.086 10 0 BEAERN CC(F)(F)C(=O)Nc1cccnc1Cl ZINC000306214345 359315879 /nfs/dbraw/zinc/31/58/79/359315879.db2.gz YKVMLEDKNXTOHC-UHFFFAOYSA-N 0 0 220.606 2.329 10 0 BEAERN CC1(C(=O)O[C@@H]2CCCSC2)CC1 ZINC000306225330 359355570 /nfs/dbraw/zinc/35/55/70/359355570.db2.gz FDDYRIJZPBHBAG-MRVPVSSYSA-N 0 0 200.303 2.225 10 0 BEAERN N[C@H](c1cnns1)c1ccsc1Cl ZINC000306216117 359322554 /nfs/dbraw/zinc/32/25/54/359322554.db2.gz BMLHHPZILIZJFE-LURJTMIESA-N 0 0 231.733 2.301 10 0 BEAERN CC1(C)CC[C@H]1NC1N=NC(=S)S1 ZINC000306217997 359329758 /nfs/dbraw/zinc/32/97/58/359329758.db2.gz NIWGMQYVYGNXSB-RXMQYKEDSA-N 0 0 215.347 2.427 10 0 BEAERN CC[C@@H]1CC[C@@](O)(Cc2csnn2)C1 ZINC000306220890 359346572 /nfs/dbraw/zinc/34/65/72/359346572.db2.gz IOEZTDQKAHDVTH-SCZZXKLOSA-N 0 0 212.318 2.022 10 0 BEAERN CSc1cc(N[C@@H]2CC[C@@H]2C)ncn1 ZINC000306241445 359421247 /nfs/dbraw/zinc/42/12/47/359421247.db2.gz LCEUHDFYZBCTCS-JGVFFNPUSA-N 0 0 209.318 2.409 10 0 BEAERN O=C1CSC(CCc2ccccc2)=N1 ZINC000306232439 359388736 /nfs/dbraw/zinc/38/87/36/359388736.db2.gz MIZPZPVMQYRWOW-UHFFFAOYSA-N 0 0 205.282 2.291 10 0 BEAERN O=Cc1cc(N2CCC(F)(F)C2)cs1 ZINC000306234048 359392330 /nfs/dbraw/zinc/39/23/30/359392330.db2.gz MYOGMXOZMRFJKA-UHFFFAOYSA-N 0 0 217.240 2.406 10 0 BEAERN C[C@H]1CC[C@@H]1Nc1nc(Cl)ncc1F ZINC000306233827 359395495 /nfs/dbraw/zinc/39/54/95/359395495.db2.gz MSOBBMPWZLPTFX-FSPLSTOPSA-N 0 0 215.659 2.480 10 0 BEAERN CC[C@H](O)[C@H](O)c1cc(C)ccc1Cl ZINC000306250077 359449608 /nfs/dbraw/zinc/44/96/08/359449608.db2.gz XQDIBRUCEIMJFP-WDEREUQCSA-N 0 0 214.692 2.453 10 0 BEAERN O=C1CSC(C[NH+]2CCCCCC2)=N1 ZINC000306249839 359450120 /nfs/dbraw/zinc/45/01/20/359450120.db2.gz YFBOAXZFDJKOJQ-UHFFFAOYSA-N 0 0 212.318 2.225 10 0 BEAERN Cc1c(Cl)ccc(N)c1OC1COC1 ZINC000306254223 359465285 /nfs/dbraw/zinc/46/52/85/359465285.db2.gz WFASHCZTYIQLJL-UHFFFAOYSA-N 0 0 213.664 2.008 10 0 BEAERN F[C@H]1CC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000306258291 359474615 /nfs/dbraw/zinc/47/46/15/359474615.db2.gz ZZNFZZNMOJKCGY-BQBZGAKWSA-N 0 0 215.659 2.433 10 0 BEAERN CC(C)Cn1c(C(F)(F)F)n[nH]c1=S ZINC000228211277 359476516 /nfs/dbraw/zinc/47/65/16/359476516.db2.gz XIEDGQPHQBPBOM-UHFFFAOYSA-N 0 0 225.239 2.242 10 0 BEAERN C[C@@H](CO)Nc1ccc(Cl)cc1F ZINC000306247115 359439105 /nfs/dbraw/zinc/43/91/05/359439105.db2.gz XFAOLONTDPQRCF-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN Nc1nccnc1-c1ccsc1Cl ZINC000306272052 359503921 /nfs/dbraw/zinc/50/39/21/359503921.db2.gz WTOOTAQFVNXKIJ-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@H]([C@H](O)c1cnc(N)s1)C(C)(C)C ZINC000306299789 359547928 /nfs/dbraw/zinc/54/79/28/359547928.db2.gz FGAYQPSKGMIVIH-SVRRBLITSA-N 0 0 214.334 2.441 10 0 BEAERN C[C@H]([C@@H](O)c1cnc(N)s1)C(C)(C)C ZINC000306299786 359548045 /nfs/dbraw/zinc/54/80/45/359548045.db2.gz FGAYQPSKGMIVIH-HTRCEHHLSA-N 0 0 214.334 2.441 10 0 BEAERN COCCCCc1cc(CO)ccc1C ZINC000140913366 359586275 /nfs/dbraw/zinc/58/62/75/359586275.db2.gz FYGCAGGSZAGQRP-UHFFFAOYSA-N 0 0 208.301 2.456 10 0 BEAERN CC(C)[C@@H](C)NC(=O)C(F)(F)Br ZINC000306306526 359588252 /nfs/dbraw/zinc/58/82/52/359588252.db2.gz FIAUMGFSXKJGLN-RXMQYKEDSA-N 0 0 244.079 2.135 10 0 BEAERN CCCc1c(O)[nH]c2ccc(C)cc2c1=O ZINC000141112859 359588268 /nfs/dbraw/zinc/58/82/68/359588268.db2.gz HBLPOTIBBLAASC-UHFFFAOYSA-N 0 0 217.268 2.495 10 0 BEAERN Nc1cccc(CN2CCC2)c1Br ZINC000306309508 359590687 /nfs/dbraw/zinc/59/06/87/359590687.db2.gz SCSUYNDHWRAXDT-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN CCC(=O)Nc1nc(Cl)ccc1F ZINC000306323975 359607783 /nfs/dbraw/zinc/60/77/83/359607783.db2.gz NDWOBHOVAYHCFA-UHFFFAOYSA-N 0 0 202.616 2.223 10 0 BEAERN O=C1CC[C@H](Cc2ccsc2Cl)N1 ZINC000306337868 359637909 /nfs/dbraw/zinc/63/79/09/359637909.db2.gz XGAKVCCNSIZTRG-SSDOTTSWSA-N 0 0 215.705 2.223 10 0 BEAERN CC[C@@H](NC(=O)c1cc[nH]c1)c1nccs1 ZINC000130372085 359673789 /nfs/dbraw/zinc/67/37/89/359673789.db2.gz LVIBFRJTLXKTKN-SECBINFHSA-N 0 0 235.312 2.352 10 0 BEAERN Cc1n[nH]c(C)c1N[C@H]1CSC[C@@H]1C ZINC000306351271 359677926 /nfs/dbraw/zinc/67/79/26/359677926.db2.gz XDYZZOKWHJXIFW-RCOVLWMOSA-N 0 0 211.334 2.190 10 0 BEAERN O=C(c1cnsn1)c1ccsc1Cl ZINC000306353889 359680452 /nfs/dbraw/zinc/68/04/52/359680452.db2.gz GLKBPYKNVIVZCB-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN Cc1ccsc1-c1nn(C)cc1C=O ZINC000069636307 359688186 /nfs/dbraw/zinc/68/81/86/359688186.db2.gz PGBKENDIOSVHDI-UHFFFAOYSA-N 0 0 206.270 2.270 10 0 BEAERN CC(=O)c1sc(-c2ccncn2)nc1C ZINC000069638307 359689174 /nfs/dbraw/zinc/68/91/74/359689174.db2.gz AQOZATVBBKMUJK-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN Fc1cc(F)cc(NC2CSC2)c1 ZINC000306360942 359698045 /nfs/dbraw/zinc/69/80/45/359698045.db2.gz NSSBHOBCEYXOKB-UHFFFAOYSA-N 0 0 201.241 2.492 10 0 BEAERN CCC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000045241171 359728415 /nfs/dbraw/zinc/72/84/15/359728415.db2.gz CUHNYDUGRFBMJO-VIFPVBQESA-N 0 0 237.299 2.291 10 0 BEAERN OC[C@@H](NO)c1c(Cl)cccc1Cl ZINC000306404330 359790009 /nfs/dbraw/zinc/79/00/09/359790009.db2.gz UQVYXVUPZODACD-SSDOTTSWSA-N 0 0 222.071 2.006 10 0 BEAERN Nc1cc(F)ccc1N[C@@H]1CCSC1 ZINC000231344061 359858702 /nfs/dbraw/zinc/85/87/02/359858702.db2.gz WLUREEDKZHPIFX-MRVPVSSYSA-N 0 0 212.293 2.325 10 0 BEAERN O=C(C=C1CCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000087134179 359899809 /nfs/dbraw/zinc/89/98/09/359899809.db2.gz RUJOWMMEUBZASP-OLZOCXBDSA-N 0 0 235.327 2.267 10 0 BEAERN O=C(CCN1CC[C@@H](F)C1)c1ccccc1 ZINC000451190850 202376659 /nfs/dbraw/zinc/37/66/59/202376659.db2.gz GTFDMFRQLDVRCP-GFCCVEGCSA-N 0 0 221.275 2.303 10 0 BEAERN Fc1cccc(-n2cc(Br)cn2)n1 ZINC000040712319 359888266 /nfs/dbraw/zinc/88/82/66/359888266.db2.gz ADDHIQSVGVWIGO-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN CC(C)[C@H](O)Cc1nc([C@@H]2CCCS2)no1 ZINC000087716871 359925664 /nfs/dbraw/zinc/92/56/64/359925664.db2.gz RXJRRHMGBZVNSP-BDAKNGLRSA-N 0 0 242.344 2.197 10 0 BEAERN CCOCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088235753 359942630 /nfs/dbraw/zinc/94/26/30/359942630.db2.gz KHUYMSMABPIKBD-JTQLQIEISA-N 0 0 239.290 2.348 10 0 BEAERN Clc1nc2c(s1)CN(C1CC1)CC2 ZINC000306438451 359949337 /nfs/dbraw/zinc/94/93/37/359949337.db2.gz GKLVBFVWKLZENX-UHFFFAOYSA-N 0 0 214.721 2.317 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1csc(Cl)n1 ZINC000306442849 360014921 /nfs/dbraw/zinc/01/49/21/360014921.db2.gz LVOZBAUDCXOQFV-NTSWFWBYSA-N 0 0 218.709 2.386 10 0 BEAERN CC(C)c1noc(C[C@]2(O)CCC[C@@H]2C)n1 ZINC000536956609 360007498 /nfs/dbraw/zinc/00/74/98/360007498.db2.gz ZYPJGMMJKRALOF-JOYOIKCWSA-N 0 0 224.304 2.287 10 0 BEAERN OC[C@@H]1CC[C@H](c2ccc(F)cc2)CO1 ZINC000536956719 360007612 /nfs/dbraw/zinc/00/76/12/360007612.db2.gz AWVSHHXYPBJENP-JQWIXIFHSA-N 0 0 210.248 2.081 10 0 BEAERN CCn1c(C)nnc1CSCC1CC1 ZINC000091036786 360099172 /nfs/dbraw/zinc/09/91/72/360099172.db2.gz MEZMHRCPVODHFT-UHFFFAOYSA-N 0 0 211.334 2.250 10 0 BEAERN C[C@@H]1C[C@](O)(C(F)(F)Br)[C@@H]1C ZINC000306463191 360075447 /nfs/dbraw/zinc/07/54/47/360075447.db2.gz LCVIASHOVDWPDW-HSUXUTPPSA-N 0 0 229.064 2.381 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@](C)([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000306464836 360078011 /nfs/dbraw/zinc/07/80/11/360078011.db2.gz CVOZSIRRPSMLLV-SCDSUCTJSA-N 0 0 233.311 2.276 10 0 BEAERN CCn1cc(CN2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000091978795 360139488 /nfs/dbraw/zinc/13/94/88/360139488.db2.gz UQBYBNRPJXSVNR-UONOGXRCSA-N 0 0 249.358 2.046 10 0 BEAERN COc1cc([C@](C)(O)[C@H]2C[C@H]2C)sn1 ZINC000306482768 360150849 /nfs/dbraw/zinc/15/08/49/360150849.db2.gz KYPSZFIWFDAQTJ-MATHAZKKSA-N 0 0 213.302 2.015 10 0 BEAERN c1csc([C@@H]2CN(Cc3cc[nH]c3)CCO2)n1 ZINC000092831702 360202298 /nfs/dbraw/zinc/20/22/98/360202298.db2.gz GUNVNSMBXFLMRA-NSHDSACASA-N 0 0 249.339 2.045 10 0 BEAERN C[C@@H]1CN(CC(Cl)(Cl)Cl)CCCO1 ZINC000306498103 360234668 /nfs/dbraw/zinc/23/46/68/360234668.db2.gz SWBBQTMOFXHZHL-SSDOTTSWSA-N 0 0 246.565 2.467 10 0 BEAERN CC(C)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000093470198 360245421 /nfs/dbraw/zinc/24/54/21/360245421.db2.gz KAAKKTXWOGECKT-XQQFMLRXSA-N 0 0 239.359 2.185 10 0 BEAERN COCc1cccc(NCc2cnn(C)c2C)c1 ZINC000093649415 360266439 /nfs/dbraw/zinc/26/64/39/360266439.db2.gz ACKUPUIXXPBZCP-UHFFFAOYSA-N 0 0 245.326 2.487 10 0 BEAERN Brc1ncnc(C2CCCC2)n1 ZINC000237982478 360312421 /nfs/dbraw/zinc/31/24/21/360312421.db2.gz SWCODFBDWSHPKX-UHFFFAOYSA-N 0 0 228.093 2.292 10 0 BEAERN Nc1cncc(Cl)c1OCC(F)(F)F ZINC000306523352 360360507 /nfs/dbraw/zinc/36/05/07/360360507.db2.gz SLTZLAKOQFOERI-UHFFFAOYSA-N 0 0 226.585 2.258 10 0 BEAERN CCc1nnsc1C(=O)c1cocc1C ZINC000306523746 360360685 /nfs/dbraw/zinc/36/06/85/360360685.db2.gz UVOJNNARHJIVIV-UHFFFAOYSA-N 0 0 222.269 2.233 10 0 BEAERN CC(C)(C)Nc1cnc(Br)cn1 ZINC000306526484 360367660 /nfs/dbraw/zinc/36/76/60/360367660.db2.gz UUXOHWROWKYTPY-UHFFFAOYSA-N 0 0 230.109 2.450 10 0 BEAERN Cc1ncc(NCc2cccnc2)s1 ZINC000306535818 360400305 /nfs/dbraw/zinc/40/03/05/360400305.db2.gz GRLREZZWGVLJAK-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN Nc1cnn(Cc2sccc2Cl)c1 ZINC000306531391 360387859 /nfs/dbraw/zinc/38/78/59/360387859.db2.gz KVOAWSUDZHENLC-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN Cc1nn(C)cc1C(=O)CC1(C)CCC1 ZINC000306521903 360356413 /nfs/dbraw/zinc/35/64/13/360356413.db2.gz NZUIKQVLAZQABA-UHFFFAOYSA-N 0 0 206.289 2.492 10 0 BEAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@@]1(C)CCCS1 ZINC000306520910 360358777 /nfs/dbraw/zinc/35/87/77/360358777.db2.gz LUDOXYBMAANGDE-IQJOONFLSA-N 0 0 213.346 2.043 10 0 BEAERN C[C@H]1C[C@@H](n2ccc(=O)[nH]c2=S)CS1 ZINC000306565620 360443926 /nfs/dbraw/zinc/44/39/26/360443926.db2.gz FOMCUEZNVCMFLX-NKWVEPMBSA-N 0 0 228.342 2.385 10 0 BEAERN Cc1nc(C(=O)[C@H]2OCC[C@H]2C)cs1 ZINC000306566690 360445913 /nfs/dbraw/zinc/44/59/13/360445913.db2.gz YTVNYNJCMPYRIZ-LDWIPMOCSA-N 0 0 211.286 2.059 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000614144270 363733358 /nfs/dbraw/zinc/73/33/58/363733358.db2.gz OUVSYPUJUDGCMK-UONOGXRCSA-N 0 0 247.338 2.282 10 0 BEAERN C[C@H]1C[C@@H](SC2CCCC2)C(=O)O1 ZINC000306540308 360405232 /nfs/dbraw/zinc/40/52/32/360405232.db2.gz OSZQOMMAXKPKCN-IONNQARKSA-N 0 0 200.303 2.366 10 0 BEAERN CCc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000614144268 363733582 /nfs/dbraw/zinc/73/35/82/363733582.db2.gz OUVSYPUJUDGCMK-KGLIPLIRSA-N 0 0 247.338 2.282 10 0 BEAERN Nc1cc(N)c(NCCF)c(F)c1Cl ZINC000306543888 360413333 /nfs/dbraw/zinc/41/33/33/360413333.db2.gz TWBHZLREFNNRAY-UHFFFAOYSA-N 0 0 221.638 2.025 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)c1ccc2c(c1)OCC2 ZINC000306551205 360424739 /nfs/dbraw/zinc/42/47/39/360424739.db2.gz ZVWUUIBAKSOCKV-KCJUWKMLSA-N 0 0 202.253 2.460 10 0 BEAERN CSCC(=O)Nc1cccc(N)c1Cl ZINC000306550693 360425863 /nfs/dbraw/zinc/42/58/63/360425863.db2.gz ZLANOYCCIHMIBD-UHFFFAOYSA-N 0 0 230.720 2.224 10 0 BEAERN CCc1cnc([C@H]2NCCCS2)s1 ZINC000306553804 360426299 /nfs/dbraw/zinc/42/62/99/360426299.db2.gz BJBYGLPZNQBCBC-QMMMGPOBSA-N 0 0 214.359 2.431 10 0 BEAERN CSc1nccn1Cc1nccs1 ZINC000306555271 360427865 /nfs/dbraw/zinc/42/78/65/360427865.db2.gz BTWIDKXOJRKTCJ-UHFFFAOYSA-N 0 0 211.315 2.110 10 0 BEAERN COC(C)(C)C(=O)c1cnc(C)c(C)c1 ZINC000306555310 360428923 /nfs/dbraw/zinc/42/89/23/360428923.db2.gz BVKAOOZTEYJBFO-UHFFFAOYSA-N 0 0 207.273 2.306 10 0 BEAERN C[C@H]1C[C@@H](Nc2ncc(N)s2)CS1 ZINC000306578676 360468799 /nfs/dbraw/zinc/46/87/99/360468799.db2.gz MJFJQYKKSGNDKF-NTSWFWBYSA-N 0 0 215.347 2.031 10 0 BEAERN N[C@H](c1ccns1)c1ccc(Cl)cn1 ZINC000306582813 360483798 /nfs/dbraw/zinc/48/37/98/360483798.db2.gz PJELPKJWIGFWKS-VIFPVBQESA-N 0 0 225.704 2.240 10 0 BEAERN COc1cc(N)cc(F)c1C(F)(F)F ZINC000306585944 360484782 /nfs/dbraw/zinc/48/47/82/360484782.db2.gz SVOXKRKBWUNAGZ-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1ncc(C)cn1 ZINC000306584881 360484925 /nfs/dbraw/zinc/48/49/25/360484925.db2.gz GVKRYICVOMDGHE-RKDXNWHRSA-N 0 0 209.318 2.091 10 0 BEAERN Cc1cnccc1C(=O)c1ccns1 ZINC000306576746 360464201 /nfs/dbraw/zinc/46/42/01/360464201.db2.gz KRZYQXCZXQCYIJ-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CN(C(=O)C(F)(F)Cl)[C@@H]1CC1(C)C ZINC000306604444 360530897 /nfs/dbraw/zinc/53/08/97/360530897.db2.gz OBHCAXLFPSRARR-RXMQYKEDSA-N 0 0 211.639 2.075 10 0 BEAERN CC(C)n1nccc1[C@H]1NCCCS1 ZINC000306596284 360517539 /nfs/dbraw/zinc/51/75/39/360517539.db2.gz MHFNAVUHOBXHDA-JTQLQIEISA-N 0 0 211.334 2.189 10 0 BEAERN CCC(=O)[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000306610657 360615240 /nfs/dbraw/zinc/61/52/40/360615240.db2.gz FHCAHCZRNVBKAF-HTRCEHHLSA-N 0 0 210.195 2.323 10 0 BEAERN Cc1ccc(C(=O)c2occc2N)cc1 ZINC000095883976 219840959 /nfs/dbraw/zinc/84/09/59/219840959.db2.gz LQXWDMIHWKXWCH-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN CCCCCCc1nc2nc(C)cc(N)n2n1 ZINC000036138794 360648112 /nfs/dbraw/zinc/64/81/12/360648112.db2.gz NNTOHXRSHZCBEC-UHFFFAOYSA-N 0 0 233.319 2.138 10 0 BEAERN NC(=O)c1ccccc1Oc1ccc(C=O)cc1 ZINC000020079349 181306321 /nfs/dbraw/zinc/30/63/21/181306321.db2.gz BFPGXYDRLLSBPP-UHFFFAOYSA-N 0 0 241.246 2.390 10 0 BEAERN COc1ccccc1[C@H]1CC(=O)CCO1 ZINC000069850850 360704288 /nfs/dbraw/zinc/70/42/88/360704288.db2.gz PZNPGFIOVIHIBR-GFCCVEGCSA-N 0 0 206.241 2.116 10 0 BEAERN CCC(=O)c1ccncc1Br ZINC000238246679 360743766 /nfs/dbraw/zinc/74/37/66/360743766.db2.gz DBQVMPZYSWOOIQ-UHFFFAOYSA-N 0 0 214.062 2.437 10 0 BEAERN NC(=O)c1cnc(C2CCCCC2)s1 ZINC000299890112 181308500 /nfs/dbraw/zinc/30/85/00/181308500.db2.gz ULITWBXKIMBQNZ-UHFFFAOYSA-N 0 0 210.302 2.290 10 0 BEAERN NC(=S)CC(=O)Nc1cccc2ccccc21 ZINC000020433085 181315501 /nfs/dbraw/zinc/31/55/01/181315501.db2.gz WMJPMOISALZMNI-UHFFFAOYSA-N 0 0 244.319 2.455 10 0 BEAERN CN[C@H](c1scnc1C)C(F)(F)F ZINC000238327546 360875590 /nfs/dbraw/zinc/87/55/90/360875590.db2.gz ZIPJOHWCRCGTJA-ZCFIWIBFSA-N 0 0 210.224 2.274 10 0 BEAERN NC(=S)CCCOCCCc1ccncc1 ZINC000034958559 181314657 /nfs/dbraw/zinc/31/46/57/181314657.db2.gz NUVUCIFPLDRBKC-UHFFFAOYSA-N 0 0 238.356 2.097 10 0 BEAERN NC(=S)CCN(C(=O)C1CC1)c1ccccc1 ZINC000019485328 181314845 /nfs/dbraw/zinc/31/48/45/181314845.db2.gz MYJOQKKDWAGGPN-UHFFFAOYSA-N 0 0 248.351 2.106 10 0 BEAERN NC(=S)CCCOc1cccc(F)c1 ZINC000019483698 181314920 /nfs/dbraw/zinc/31/49/20/181314920.db2.gz QOXXLZARQIVEQR-UHFFFAOYSA-N 0 0 213.277 2.271 10 0 BEAERN NC(=S)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000020433278 181314984 /nfs/dbraw/zinc/31/49/84/181314984.db2.gz KKWQNFIYGXSGNT-UHFFFAOYSA-N 0 0 246.694 2.094 10 0 BEAERN NC(=S)Cc1ccc(F)cc1Br ZINC000019264476 181317112 /nfs/dbraw/zinc/31/71/12/181317112.db2.gz OSMKGEJCBJGHBO-UHFFFAOYSA-N 0 0 248.120 2.417 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCC[C@@H]1CCCO ZINC000069688463 219875443 /nfs/dbraw/zinc/87/54/43/219875443.db2.gz ARVMNPYBJPCQQL-NWDGAFQWSA-N 0 0 227.348 2.042 10 0 BEAERN NC(=S)COc1ccccc1Br ZINC000019513836 181316225 /nfs/dbraw/zinc/31/62/25/181316225.db2.gz QZTKZFIETYZMQK-UHFFFAOYSA-N 0 0 246.129 2.114 10 0 BEAERN COC(=O)CC[C@@H]1CNc2ccccc21 ZINC000238349002 360910345 /nfs/dbraw/zinc/91/03/45/360910345.db2.gz DKGRORSTALQNOU-SECBINFHSA-N 0 0 205.257 2.149 10 0 BEAERN CCOc1cc(N)cc(Br)c1 ZINC000138582091 360944516 /nfs/dbraw/zinc/94/45/16/360944516.db2.gz NEAKSKAVINNNMJ-UHFFFAOYSA-N 0 0 216.078 2.430 10 0 BEAERN COc1ccc(F)nc1OC(F)(F)F ZINC000238355113 360932826 /nfs/dbraw/zinc/93/28/26/360932826.db2.gz KFSKPIFBMGLXRF-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN NC(=S)c1cc(F)cc(C(F)(F)F)c1 ZINC000083352364 181320336 /nfs/dbraw/zinc/32/03/36/181320336.db2.gz KESMOLPUHJFPOE-UHFFFAOYSA-N 0 0 223.194 2.479 10 0 BEAERN Cc1cccc(Cc2nc(C=O)c[nH]2)c1 ZINC000069906779 361002532 /nfs/dbraw/zinc/00/25/32/361002532.db2.gz FZGKIHIHJYXLDT-UHFFFAOYSA-N 0 0 200.241 2.121 10 0 BEAERN C[C@@H]1CC(=O)c2cc(F)c(F)cc2[S@]1=O ZINC000040973264 360983182 /nfs/dbraw/zinc/98/31/82/360983182.db2.gz IHBYCBPDNHEIMJ-MQWCLQQTSA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)C[C@H](C)[S@@]2=O ZINC000040973048 360984189 /nfs/dbraw/zinc/98/41/89/360984189.db2.gz FTHZPZMWWXZDTD-BJOHPYRUSA-N 0 0 222.309 2.386 10 0 BEAERN COc1cc(C=O)cc(F)c1SC ZINC000238387586 360989116 /nfs/dbraw/zinc/98/91/16/360989116.db2.gz BSWRDNTVCNAVHA-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN C[C@@H]1CN(c2ccnc(Cl)n2)C[C@@H](C)S1 ZINC000069910214 361019202 /nfs/dbraw/zinc/01/92/02/361019202.db2.gz KYXNOWMVDJVXQW-HTQZYQBOSA-N 0 0 243.763 2.460 10 0 BEAERN NC(=S)c1ccccc1OCc1ccccn1 ZINC000019439622 181321773 /nfs/dbraw/zinc/32/17/73/181321773.db2.gz FLSWRLVCZUBFAB-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN NC(=S)c1ccnc(N2CCCCCC2)c1 ZINC000019513570 181321906 /nfs/dbraw/zinc/32/19/06/181321906.db2.gz QAIVBWMIFUYPMV-UHFFFAOYSA-N 0 0 235.356 2.096 10 0 BEAERN NC(=S)c1ccccc1OCC(F)(F)F ZINC000019439172 181322051 /nfs/dbraw/zinc/32/20/51/181322051.db2.gz AMCIPDLNFFTPEC-UHFFFAOYSA-N 0 0 235.230 2.262 10 0 BEAERN O=CNc1ccc(OC(F)(F)F)cc1 ZINC000039643139 361061752 /nfs/dbraw/zinc/06/17/52/361061752.db2.gz NBEYIEFOLLTQAR-UHFFFAOYSA-N 0 0 205.135 2.154 10 0 BEAERN CC[C@]1(O)CCCN(C(=O)[C@@H]2CCC[C@@H]2C)C1 ZINC000634204955 361069963 /nfs/dbraw/zinc/06/99/63/361069963.db2.gz PVGOGNJQQMNKMK-SCRDCRAPSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cc(Cl)nc(Br)c1N ZINC000238515994 361134338 /nfs/dbraw/zinc/13/43/38/361134338.db2.gz VNHSZPSODLJUSE-UHFFFAOYSA-N 0 0 221.485 2.388 10 0 BEAERN O=[N+]([O-])/C=C/c1csc(C(F)(F)F)n1 ZINC000238580517 361156904 /nfs/dbraw/zinc/15/69/04/361156904.db2.gz UHWSRWLMOTWGBO-OWOJBTEDSA-N 0 0 224.163 2.409 10 0 BEAERN COC[C@@H](C)c1cc(Cl)cnc1N ZINC000069943779 361175087 /nfs/dbraw/zinc/17/50/87/361175087.db2.gz VUCQEWXWGBZFNR-ZCFIWIBFSA-N 0 0 200.669 2.067 10 0 BEAERN CCn1nc(C(F)(F)F)c(C=O)c1Cl ZINC000041043597 361181090 /nfs/dbraw/zinc/18/10/90/361181090.db2.gz XNAHLEYQKBARSU-UHFFFAOYSA-N 0 0 226.585 2.388 10 0 BEAERN CCn1nc(C(F)(F)F)c(CO)c1Cl ZINC000041043613 361182081 /nfs/dbraw/zinc/18/20/81/361182081.db2.gz JXJJPGDXZXHECK-UHFFFAOYSA-N 0 0 228.601 2.068 10 0 BEAERN Nc1ccc(Cl)c(C(=O)OC(F)F)c1 ZINC000041047880 361188526 /nfs/dbraw/zinc/18/85/26/361188526.db2.gz SORAMCSBUCQBAZ-UHFFFAOYSA-N 0 0 221.590 2.302 10 0 BEAERN CC[C@H](NC(=O)COC(C)(C)C)C(C)C ZINC000158528078 361201713 /nfs/dbraw/zinc/20/17/13/361201713.db2.gz JZSJCESQIOQBOL-JTQLQIEISA-N 0 0 215.337 2.352 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000424741509 200958385 /nfs/dbraw/zinc/95/83/85/200958385.db2.gz QZSKVWWDLKMKRA-MROQNXINSA-N 0 0 239.359 2.232 10 0 BEAERN CN(Cc1nccs1)c1ccnc(Cl)n1 ZINC000306623701 361258877 /nfs/dbraw/zinc/25/88/77/361258877.db2.gz DTGZJNIKBFCGIK-UHFFFAOYSA-N 0 0 240.719 2.223 10 0 BEAERN Nc1cc(C2(C(F)(F)F)CCC2)on1 ZINC000115677140 370685111 /nfs/dbraw/zinc/68/51/11/370685111.db2.gz SCRVEHGFUSIBJZ-UHFFFAOYSA-N 0 0 206.167 2.241 10 0 in-vitro BEAERN OCc1ccnc(OC(F)(F)F)c1Cl ZINC000238728319 361372018 /nfs/dbraw/zinc/37/20/18/361372018.db2.gz OMVZRYYIXGJVGH-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Cc1cc(Cl)cc2ccc(=NN)[nH]c12 ZINC000070064021 361393019 /nfs/dbraw/zinc/39/30/19/361393019.db2.gz SJDFVUYXRNDIBG-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN CCn1ccnc1CSC[C@@H](C)OC ZINC000181111384 366785487 /nfs/dbraw/zinc/78/54/87/366785487.db2.gz XGHZOJQVFRNEBD-SECBINFHSA-N 0 0 214.334 2.171 10 0 BEAERN NC1(c2nc3cc(Cl)ccc3o2)CC1 ZINC000082946788 181335338 /nfs/dbraw/zinc/33/53/38/181335338.db2.gz CLGPDEFIDVQUNZ-UHFFFAOYSA-N 0 0 208.648 2.429 10 0 BEAERN COC(=O)c1nccc(OC(F)(F)F)c1C ZINC000381573136 361489135 /nfs/dbraw/zinc/48/91/35/361489135.db2.gz XAVNEDQTTFQBFT-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)c2ncccn2)C1 ZINC000070566283 361561192 /nfs/dbraw/zinc/56/11/92/361561192.db2.gz VWKCLBAUHCLRJI-VHSXEESVSA-N 0 0 204.273 2.486 10 0 BEAERN C[C@H]1[C@@H](CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000139095747 361567273 /nfs/dbraw/zinc/56/72/73/361567273.db2.gz JVJBNQGSJULIFC-WCQYABFASA-N 0 0 233.311 2.372 10 0 BEAERN CCC1N=NC(=S)N1[C@H]1CCS[C@H]1C ZINC000306639018 361590800 /nfs/dbraw/zinc/59/08/00/361590800.db2.gz CGQBQGVGKVIKJQ-BQBZGAKWSA-N 0 0 229.374 2.196 10 0 BEAERN CCC1N=NC(=S)N1[C@@H]1CCS[C@H]1C ZINC000306639021 361591073 /nfs/dbraw/zinc/59/10/73/361591073.db2.gz CGQBQGVGKVIKJQ-NKWVEPMBSA-N 0 0 229.374 2.196 10 0 BEAERN CC(C)NC(=O)c1ccc(N)c(Cl)c1 ZINC000070602109 361595455 /nfs/dbraw/zinc/59/54/55/361595455.db2.gz QQLGWZRCROMLSE-UHFFFAOYSA-N 0 0 212.680 2.060 10 0 BEAERN Fc1cccc(Cc2nc(Cl)n[nH]2)c1 ZINC000070584164 361573595 /nfs/dbraw/zinc/57/35/95/361573595.db2.gz LMOTYTXLULNUHK-UHFFFAOYSA-N 0 0 211.627 2.188 10 0 BEAERN CC[C@H]1Cc2c(Cl)cccc2C(=O)N1 ZINC000070587913 361575453 /nfs/dbraw/zinc/57/54/53/361575453.db2.gz CRSLBMIRVJRSFM-ZETCQYMHSA-N 0 0 209.676 2.405 10 0 BEAERN COc1cc(N)nc(SCc2ccccc2)n1 ZINC000007275035 361577056 /nfs/dbraw/zinc/57/70/56/361577056.db2.gz HFPOEOWDBAUSEL-UHFFFAOYSA-N 0 0 247.323 2.360 10 0 BEAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)C ZINC000153127477 201221652 /nfs/dbraw/zinc/22/16/52/201221652.db2.gz DCRLIJQQSYLIQZ-WDEREUQCSA-N 0 0 242.363 2.145 10 0 BEAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)C ZINC000153127582 201222331 /nfs/dbraw/zinc/22/23/31/201222331.db2.gz DCRLIJQQSYLIQZ-QWRGUYRKSA-N 0 0 242.363 2.145 10 0 BEAERN Brc1cccnc1SC[C@H]1CO1 ZINC000070615031 361629652 /nfs/dbraw/zinc/62/96/52/361629652.db2.gz XVWQDJJUANNMBJ-ZCFIWIBFSA-N 0 0 246.129 2.335 10 0 BEAERN COC(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000037073976 361632940 /nfs/dbraw/zinc/63/29/40/361632940.db2.gz YQAZCTUFIYNZAM-SFYZADRCSA-N 0 0 243.253 2.177 10 0 BEAERN C[C@@H]1C[C@@H]1c1ccc(CNCc2cn[nH]c2)o1 ZINC000038005672 361633982 /nfs/dbraw/zinc/63/39/82/361633982.db2.gz AKZAVPUAOWRSOF-SKDRFNHKSA-N 0 0 231.299 2.416 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1C1CCCCC1 ZINC000070618118 361637872 /nfs/dbraw/zinc/63/78/72/361637872.db2.gz NLSMLAXULLHENU-GFCCVEGCSA-N 0 0 211.305 2.258 10 0 BEAERN C[C@@H](Nc1ncccn1)c1nccs1 ZINC000070621397 361650134 /nfs/dbraw/zinc/65/01/34/361650134.db2.gz ZYGCQACEZNJMBU-SSDOTTSWSA-N 0 0 206.274 2.106 10 0 BEAERN CC1(C)CCC[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000070683866 361719122 /nfs/dbraw/zinc/71/91/22/361719122.db2.gz XSXQUDKYEMWKNQ-LBPRGKRZSA-N 0 0 211.305 2.162 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)C1CCCC1 ZINC000234580712 541312075 /nfs/dbraw/zinc/31/20/75/541312075.db2.gz MNUBBIQANFVOLH-VHSXEESVSA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCCC21CCCC1 ZINC000307154645 541314879 /nfs/dbraw/zinc/31/48/79/541314879.db2.gz UZLNPSMBVRJVLS-JOYOIKCWSA-N 0 0 210.273 2.041 10 0 BEAERN CC(C)=C(C)CCn1cc(N)ccc1=O ZINC000718530924 541316670 /nfs/dbraw/zinc/31/66/70/541316670.db2.gz XIRYYNZKJJKCKK-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN COc1cccc2c1N[C@H](CC1CC1)[C@@H](O)C2 ZINC000725268678 541338377 /nfs/dbraw/zinc/33/83/77/541338377.db2.gz YEYMDMRAIPMOGZ-NEPJUHHUSA-N 0 0 233.311 2.193 10 0 BEAERN CCCc1nc2cccc(OC)c2cc1NN ZINC000725268676 541338411 /nfs/dbraw/zinc/33/84/11/541338411.db2.gz YDFQVQZXSLGFJF-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN CCc1ccc(O)c(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000170807277 364285067 /nfs/dbraw/zinc/28/50/67/364285067.db2.gz RRFPHNIKQWWRCP-KWQFWETISA-N 0 0 219.284 2.093 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccccc1N(C)C ZINC000170824024 364375997 /nfs/dbraw/zinc/37/59/97/364375997.db2.gz SEEQJIGOVHYDHP-GXSJLCMTSA-N 0 0 233.315 2.283 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000170827970 364379226 /nfs/dbraw/zinc/37/92/26/364379226.db2.gz OWZYNZDZTPDPIQ-SCZZXKLOSA-N 0 0 248.330 2.304 10 0 BEAERN CC[C@H](NC(=O)N(CC)CC)C(C)C ZINC000136189554 364464982 /nfs/dbraw/zinc/46/49/82/364464982.db2.gz SAGAJCYOEXJENP-JTQLQIEISA-N 0 0 200.326 2.472 10 0 BEAERN O=C(Cc1ccco1)c1ncccc1F ZINC000130693709 364523679 /nfs/dbraw/zinc/52/36/79/364523679.db2.gz VANJIMLCPLFZNZ-UHFFFAOYSA-N 0 0 205.188 2.239 10 0 BEAERN O=C([O-])[C@H]1CCS[C@@H](C2CCCCC2)[NH2+]1 ZINC000037737030 364564532 /nfs/dbraw/zinc/56/45/32/364564532.db2.gz WVINVWAGGOHOHZ-ZJUUUORDSA-N 0 0 229.345 2.073 10 0 BEAERN CCOC(=O)c1cc(OCC)cc(C)c1N ZINC000037739202 364564580 /nfs/dbraw/zinc/56/45/80/364564580.db2.gz AIUUVZXCDSTGTB-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN Nc1ccccc1S[C@H]1CCC[C@H]1O ZINC000037690536 364529879 /nfs/dbraw/zinc/52/98/79/364529879.db2.gz QYICOVGGESROEZ-KOLCDFICSA-N 0 0 209.314 2.274 10 0 BEAERN Cc1cc(C(N)=S)ccc1OC(C)C ZINC000037733867 364563861 /nfs/dbraw/zinc/56/38/61/364563861.db2.gz RZRVZTZHQONVFU-UHFFFAOYSA-N 0 0 209.314 2.416 10 0 BEAERN C[C@@H](O)CSc1ccc(N)cc1Cl ZINC000037688100 364517004 /nfs/dbraw/zinc/51/70/04/364517004.db2.gz NGPBGOCOGNGDMS-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN C[C@@H](O)CNc1ccc(F)cc1Br ZINC000037687842 364517038 /nfs/dbraw/zinc/51/70/38/364517038.db2.gz JIJGIVJDGLTHKI-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN C[C@H](O)CSc1ccc(Cl)cc1N ZINC000037688071 364517102 /nfs/dbraw/zinc/51/71/02/364517102.db2.gz GWEQCNOGQVUTMH-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN CCc1cc2n(n1)[C@@H](c1nccs1)CCN2 ZINC000234201415 541395570 /nfs/dbraw/zinc/39/55/70/541395570.db2.gz FBANCHSWRVXKKC-SECBINFHSA-N 0 0 234.328 2.307 10 0 BEAERN CC(C)Oc1c(C=O)cc(F)cc1C=O ZINC000669383538 541407997 /nfs/dbraw/zinc/40/79/97/541407997.db2.gz IUAWCMINCOZANU-UHFFFAOYSA-N 0 0 210.204 2.238 10 0 BEAERN CC[C@@H]1CCC[C@]12O[C@@]2(CC)C(=O)OC ZINC000669384176 541437468 /nfs/dbraw/zinc/43/74/68/541437468.db2.gz PMDAYRKEWXAHAI-USWWRNFRSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]12CCC21CCCC1 ZINC000669384228 541437567 /nfs/dbraw/zinc/43/75/67/541437567.db2.gz QLHNQLQKHLMJKB-ZYHUDNBSSA-N 0 0 210.273 2.041 10 0 BEAERN CC(C)c1nc(CN2CCS[C@@H](C)C2)no1 ZINC000171687755 365226011 /nfs/dbraw/zinc/22/60/11/365226011.db2.gz JYGYGERCVGUUHL-VIFPVBQESA-N 0 0 241.360 2.130 10 0 BEAERN COC[C@@H](C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000171448005 365200046 /nfs/dbraw/zinc/20/00/46/365200046.db2.gz HWVKXYMPUOBKSE-GHMZBOCLSA-N 0 0 227.348 2.304 10 0 BEAERN C[C@H]1CN(C(=O)Nc2ccncc2)CCS1 ZINC000171722024 365229832 /nfs/dbraw/zinc/22/98/32/365229832.db2.gz SYMYAOPOBHCONM-VIFPVBQESA-N 0 0 237.328 2.051 10 0 BEAERN CCC(CC)NC(=O)N1CCS[C@@H](C)C1 ZINC000171728860 365230065 /nfs/dbraw/zinc/23/00/65/365230065.db2.gz HMNQNBQERCKGGF-VIFPVBQESA-N 0 0 230.377 2.322 10 0 BEAERN C[C@H]1CN(C(=O)CC2CCC2)CCS1 ZINC000173067207 365400964 /nfs/dbraw/zinc/40/09/64/365400964.db2.gz GCROBJKKKAQGHX-VIFPVBQESA-N 0 0 213.346 2.141 10 0 BEAERN CC[C@@H](Nc1cnn(CCO)c1)C(C)(C)C ZINC000381402537 541461231 /nfs/dbraw/zinc/46/12/31/541461231.db2.gz ASLKBYLBRFUKHY-LLVKDONJSA-N 0 0 225.336 2.112 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccncc1Cl ZINC000174872543 365518020 /nfs/dbraw/zinc/51/80/20/365518020.db2.gz BNAOTSQPZHGXJL-AOOOYVTPSA-N 0 0 240.734 2.344 10 0 BEAERN CC(=O)Nc1cc(Br)ccc1C=O ZINC000675050023 541462148 /nfs/dbraw/zinc/46/21/48/541462148.db2.gz FSDVKQKTTGWVRM-UHFFFAOYSA-N 0 0 242.072 2.220 10 0 BEAERN O=C1C[C@H](c2ccc(F)c(Cl)c2)CN1 ZINC000088047052 541468866 /nfs/dbraw/zinc/46/88/66/541468866.db2.gz NCWOTCILATXKIV-ZETCQYMHSA-N 0 0 213.639 2.083 10 0 BEAERN O=C1C[C@@H](c2ccc(F)c(Cl)c2)CN1 ZINC000088047051 541468891 /nfs/dbraw/zinc/46/88/91/541468891.db2.gz NCWOTCILATXKIV-SSDOTTSWSA-N 0 0 213.639 2.083 10 0 BEAERN CCNC(=O)c1ccc(Cl)c2c1CCO2 ZINC000685947610 541496695 /nfs/dbraw/zinc/49/66/95/541496695.db2.gz PWRXTPYURPFUIG-UHFFFAOYSA-N 0 0 225.675 2.025 10 0 BEAERN C1CC(c2nc3n(n2)[C@@H]2CCC[C@H]2CN3)C1 ZINC000232571788 541504323 /nfs/dbraw/zinc/50/43/23/541504323.db2.gz ZBENSINPCIKVIE-VHSXEESVSA-N 0 0 218.304 2.312 10 0 BEAERN COC(=O)c1cc2cc(F)cc(F)c2o1 ZINC000685952046 541497475 /nfs/dbraw/zinc/49/74/75/541497475.db2.gz RAJZYKBZRQFGAU-UHFFFAOYSA-N 0 0 212.151 2.498 10 0 BEAERN CC[C@H]1[C@H](C)CNc2c3cccnc3nn21 ZINC000234082758 541510719 /nfs/dbraw/zinc/51/07/19/541510719.db2.gz GGDYHZHIMYQVDJ-SCZZXKLOSA-N 0 0 216.288 2.444 10 0 BEAERN CC[C@H]1[C@H](C)CNc2nc(C(F)(F)F)nn21 ZINC000234082833 541511598 /nfs/dbraw/zinc/51/15/98/541511598.db2.gz FEVYIFQCCOMPDP-RITPCOANSA-N 0 0 234.225 2.310 10 0 BEAERN CCc1nc2n(n1)[C@H](c1ccsc1)CCN2 ZINC000234205423 541512069 /nfs/dbraw/zinc/51/20/69/541512069.db2.gz APRMDXQLMHHGMH-VIFPVBQESA-N 0 0 234.328 2.307 10 0 BEAERN CCc1cc2n(n1)[C@H](c1nccs1)CCN2 ZINC000234199475 541512114 /nfs/dbraw/zinc/51/21/14/541512114.db2.gz FBANCHSWRVXKKC-VIFPVBQESA-N 0 0 234.328 2.307 10 0 BEAERN CC(C)c1nc2n(n1)[C@@H]1CCC[C@H]1CN2 ZINC000232795743 541507888 /nfs/dbraw/zinc/50/78/88/541507888.db2.gz UCVCQWWXYZGYPR-DTWKUNHWSA-N 0 0 206.293 2.168 10 0 BEAERN COc1cc(C=O)c(C2CC2)cc1OC ZINC000052886460 541514713 /nfs/dbraw/zinc/51/47/13/541514713.db2.gz SQLICUAACLGYCD-UHFFFAOYSA-N 0 0 206.241 2.394 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)NCc2cc[nH]n2)CC(C)(C)C1 ZINC000183262313 367006605 /nfs/dbraw/zinc/00/66/05/367006605.db2.gz MUDMVDCYTDZQKA-GHMZBOCLSA-N 0 0 249.358 2.488 10 0 BEAERN OCCCCc1cccc(Br)n1 ZINC000081194799 370856735 /nfs/dbraw/zinc/85/67/35/370856735.db2.gz LLKHFFOQUYIDBU-UHFFFAOYSA-N 0 0 230.105 2.159 10 0 BEAERN CC(C)c1nnc(CN(C)[C@@H](C)C2CC2)n1C ZINC000195111967 367339964 /nfs/dbraw/zinc/33/99/64/367339964.db2.gz PUDLTMJVTZQSRE-JTQLQIEISA-N 0 0 236.363 2.169 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000381527579 367424631 /nfs/dbraw/zinc/42/46/31/367424631.db2.gz OMAJSLUVPIJPSG-DTWKUNHWSA-N 0 0 235.274 2.217 10 0 BEAERN C=CC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000037790546 367524316 /nfs/dbraw/zinc/52/43/16/367524316.db2.gz NJNCJAVSLUVUQA-UHFFFAOYSA-N 0 0 207.277 2.205 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](O)[C@@H]2C)C1 ZINC000384905066 367755053 /nfs/dbraw/zinc/75/50/53/367755053.db2.gz XMYHJXABPBSOIQ-MROQNXINSA-N 0 0 239.359 2.185 10 0 BEAERN O=C(C=Cc1ccccc1)Nc1ccc(=O)[nH]c1 ZINC000385890310 367876574 /nfs/dbraw/zinc/87/65/74/367876574.db2.gz DCXZUPQCZGHGBZ-VURMDHGXSA-N 0 0 240.262 2.439 10 0 BEAERN CCC[C@H](O)[C@H]1SCCS[C@H]1C ZINC000252720885 367893998 /nfs/dbraw/zinc/89/39/98/367893998.db2.gz MAFOUXRJEYTRHA-CIUDSAMLSA-N 0 0 206.376 2.385 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000527391616 367998382 /nfs/dbraw/zinc/99/83/82/367998382.db2.gz KLWYXQNGYAYAGE-LLVKDONJSA-N 0 0 249.310 2.239 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000527391589 367998996 /nfs/dbraw/zinc/99/89/96/367998996.db2.gz HEOLBETVOUWDPW-SNVBAGLBSA-N 0 0 235.283 2.133 10 0 BEAERN COc1ccc(C[C@@H](N)C(F)(F)F)cc1OC ZINC000075764418 367955482 /nfs/dbraw/zinc/95/54/82/367955482.db2.gz YTMKCDFDXDXMAT-SNVBAGLBSA-N 0 0 249.232 2.136 10 0 BEAERN CCOc1cc2c(cc1OC(C)C)nc[nH]c2=O ZINC000038255803 368324935 /nfs/dbraw/zinc/32/49/35/368324935.db2.gz UXCVMQXGGQKLCZ-UHFFFAOYSA-N 0 0 248.282 2.109 10 0 BEAERN Cc1cc(C=O)nc(-c2cc(C)cc(C=O)n2)c1 ZINC000035653948 368324111 /nfs/dbraw/zinc/32/41/11/368324111.db2.gz JETWMBUYEUYMCD-UHFFFAOYSA-N 0 0 240.262 2.385 10 0 BEAERN CCOC(=O)C[C@@H]1CCc2ccccc2C1=O ZINC000038351355 368326806 /nfs/dbraw/zinc/32/68/06/368326806.db2.gz UXHVZHOONBSRIY-NSHDSACASA-N 0 0 232.279 2.385 10 0 BEAERN COC(=O)c1ccc2cnn(C(C)C)c2c1 ZINC000113629859 368342236 /nfs/dbraw/zinc/34/22/36/368342236.db2.gz DEEFDHHJEASOQV-UHFFFAOYSA-N 0 0 218.256 2.404 10 0 BEAERN CCc1n[nH]c2ccc(-c3nnc(N)s3)cc21 ZINC000116634633 368342669 /nfs/dbraw/zinc/34/26/69/368342669.db2.gz NCPXRVZEPMJYMU-UHFFFAOYSA-N 0 0 245.311 2.226 10 0 BEAERN Cc1cn(-c2ccc3[nH]c(=O)ccc3c2)cn1 ZINC000117468241 368343270 /nfs/dbraw/zinc/34/32/70/368343270.db2.gz YVTSPMRYKMZZCA-UHFFFAOYSA-N 0 0 225.251 2.022 10 0 BEAERN COC(=O)c1ccc([C@@](C)(O)C(C)C)cc1 ZINC000118421296 368345023 /nfs/dbraw/zinc/34/50/23/368345023.db2.gz VHLYNDZXYUMQRL-ZDUSSCGKSA-N 0 0 222.284 2.337 10 0 BEAERN Cc1cccc(-c2cc(=O)c3ccc[nH]c-3n2)n1 ZINC000118583250 368345373 /nfs/dbraw/zinc/34/53/73/368345373.db2.gz PCAHMCWDULHCCL-UHFFFAOYSA-N 0 0 237.262 2.294 10 0 BEAERN CCOC(=O)C=C[C@H]1CCC(=O)C(=O)C1 ZINC000145689474 368349892 /nfs/dbraw/zinc/34/98/92/368349892.db2.gz HEZFDDYTGIWAMM-YZCDNWJKSA-N 0 0 210.229 2.009 10 0 BEAERN Fc1ccc(-c2noc(C(F)(F)F)n2)cn1 ZINC000224062724 368366170 /nfs/dbraw/zinc/36/61/70/368366170.db2.gz OCUQYAOYETUNQI-UHFFFAOYSA-N 0 0 233.124 2.290 10 0 BEAERN CC1=C/C(=N\NC(N)=O)C[C@@H](c2ccco2)C1 ZINC000032107022 368374299 /nfs/dbraw/zinc/37/42/99/368374299.db2.gz FROVHEGMFXAQLW-SUFRGBFDSA-N 0 0 233.271 2.128 10 0 BEAERN CCOC(=O)c1cc(Nc2ccccc2)[nH]n1 ZINC000048523232 368375727 /nfs/dbraw/zinc/37/57/27/368375727.db2.gz BJEARQFVBGSDKK-UHFFFAOYSA-N 0 0 231.255 2.330 10 0 BEAERN CCC1(c2ccc(F)cc2OC)OCCO1 ZINC000039076456 368376560 /nfs/dbraw/zinc/37/65/60/368376560.db2.gz ZFTOIEKPUHCGMV-UHFFFAOYSA-N 0 0 226.247 2.444 10 0 BEAERN C[C@@]1([C@H](O)CC2CC2)CCCCC12OCCO2 ZINC000048523855 368377414 /nfs/dbraw/zinc/37/74/14/368377414.db2.gz TXBAEXBNXIEOGD-OLZOCXBDSA-N 0 0 240.343 2.471 10 0 BEAERN N#CNC1=NCCC[C@H]1Cc1ccc(Cl)nc1 ZINC000048523294 368377464 /nfs/dbraw/zinc/37/74/64/368377464.db2.gz FSDBLBOTOPEXJU-JTQLQIEISA-N 0 0 248.717 2.157 10 0 BEAERN C[C@]1([C@H](O)CC2CC2)CCCCC12OCCO2 ZINC000048523854 368377498 /nfs/dbraw/zinc/37/74/98/368377498.db2.gz TXBAEXBNXIEOGD-CHWSQXEVSA-N 0 0 240.343 2.471 10 0 BEAERN CC(C)C[C@H]1COc2ccsc2C(=N)N1 ZINC000080213083 368480514 /nfs/dbraw/zinc/48/05/14/368480514.db2.gz JLLTWECQYYXLJC-QMMMGPOBSA-N 0 0 224.329 2.261 10 0 BEAERN NC(=O)C1c2ccccc2Cc2ccccc21 ZINC000001844783 368709447 /nfs/dbraw/zinc/70/94/47/368709447.db2.gz ASTBTQGTMJJXGZ-UHFFFAOYSA-N 0 0 223.275 2.208 10 0 BEAERN OCCCCC/C=C/I ZINC000034577118 368816711 /nfs/dbraw/zinc/81/67/11/368816711.db2.gz YEFWKXYHHZJIKS-GQCTYLIASA-N 0 0 240.084 2.488 10 0 BEAERN COc1ccc(NC=O)cc1Br ZINC000083869988 368833236 /nfs/dbraw/zinc/83/32/36/368833236.db2.gz IQLUNAROEPWSJN-UHFFFAOYSA-N 0 0 230.061 2.026 10 0 BEAERN C[C@@H](NC(=O)CC(F)(F)F)C(C)(C)C ZINC000112250552 368869143 /nfs/dbraw/zinc/86/91/43/368869143.db2.gz KRCGPGUDMURNKF-ZCFIWIBFSA-N 0 0 211.227 2.490 10 0 BEAERN C[C@@H](NC(=O)N1CCSCC1)C(C)(C)C ZINC000112461368 368872021 /nfs/dbraw/zinc/87/20/21/368872021.db2.gz LQNNZDVEPHPPDC-SECBINFHSA-N 0 0 230.377 2.179 10 0 BEAERN O=C1CCC[C@]2(c3ccccc3)OCCCN12 ZINC000003636669 368876203 /nfs/dbraw/zinc/87/62/03/368876203.db2.gz JAYUUVKVDZGYBL-CQSZACIVSA-N 0 0 231.295 2.272 10 0 BEAERN CC[C@@H](O)[C@H](O)c1ccccc1Cl ZINC000113393583 368891774 /nfs/dbraw/zinc/89/17/74/368891774.db2.gz SJJUIBIYAYKJNV-NXEZZACHSA-N 0 0 200.665 2.144 10 0 BEAERN CC1(C)CN(c2ccccc2Cl)C(=O)CN1 ZINC000113503323 368893731 /nfs/dbraw/zinc/89/37/31/368893731.db2.gz JPBWHZFRHPXVME-UHFFFAOYSA-N 0 0 238.718 2.055 10 0 BEAERN CCOC(=O)CC(=O)[C@H]1CCc2ccccc2C1 ZINC000088036371 368901438 /nfs/dbraw/zinc/90/14/38/368901438.db2.gz MRXFPPLCDBADGB-ZDUSSCGKSA-N 0 0 246.306 2.314 10 0 BEAERN CCOC(=O)C(=O)c1sc(C)cc1C ZINC000088047827 368901960 /nfs/dbraw/zinc/90/19/60/368901960.db2.gz XINQBRPRUXVKFK-UHFFFAOYSA-N 0 0 212.270 2.111 10 0 BEAERN CC(C)(C)c1cccc2c1OCC(=O)C2 ZINC000113879067 368911363 /nfs/dbraw/zinc/91/13/63/368911363.db2.gz IDXVGASYQUEYRF-UHFFFAOYSA-N 0 0 204.269 2.488 10 0 BEAERN OCCOCCc1cccc(Br)c1 ZINC000118251375 368968635 /nfs/dbraw/zinc/96/86/35/368968635.db2.gz GOPLISJRRJKSLM-UHFFFAOYSA-N 0 0 245.116 2.001 10 0 BEAERN COC(=O)c1ccc(C(=O)C2(C)CC2)cc1 ZINC000203766408 368976953 /nfs/dbraw/zinc/97/69/53/368976953.db2.gz HWQLKPFYYDJNLF-UHFFFAOYSA-N 0 0 218.252 2.456 10 0 BEAERN COC(=O)C(=O)[C@H](Cl)c1cccc(F)c1C ZINC000114969719 368965157 /nfs/dbraw/zinc/96/51/57/368965157.db2.gz XXFGUFDHHNGPOQ-SECBINFHSA-N 0 0 244.649 2.156 10 0 BEAERN COC(=O)CCc1cc(C)c(C=O)c(C)c1 ZINC000115665095 369004292 /nfs/dbraw/zinc/00/42/92/369004292.db2.gz PUZYZFPWXIKJFO-UHFFFAOYSA-N 0 0 220.268 2.222 10 0 BEAERN COc1ccc2[nH]c3c(c2c1)C[C@H](O)CC3 ZINC000005127631 369005905 /nfs/dbraw/zinc/00/59/05/369005905.db2.gz PJBKSQRIAFHVIW-MRVPVSSYSA-N 0 0 217.268 2.026 10 0 BEAERN COc1ccc2[nH]c3c(c2c1)C[C@@H](O)CC3 ZINC000005127629 369006089 /nfs/dbraw/zinc/00/60/89/369006089.db2.gz PJBKSQRIAFHVIW-QMMMGPOBSA-N 0 0 217.268 2.026 10 0 BEAERN O[C@H]1CCCCC[C@H]1Nc1nccs1 ZINC000130797632 369016445 /nfs/dbraw/zinc/01/64/45/369016445.db2.gz ICKZGVFJORNFHI-BDAKNGLRSA-N 0 0 212.318 2.249 10 0 BEAERN O[C@@H]1CCCCC[C@H]1Nc1nccs1 ZINC000130798062 369016652 /nfs/dbraw/zinc/01/66/52/369016652.db2.gz ICKZGVFJORNFHI-RKDXNWHRSA-N 0 0 212.318 2.249 10 0 BEAERN Cc1cc(O)c(N)c(Br)c1 ZINC000215097499 369048026 /nfs/dbraw/zinc/04/80/26/369048026.db2.gz XOONIQDGHOOJQK-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN COC(=O)[C@H](O)c1csc2ccccc21 ZINC000054465941 369071732 /nfs/dbraw/zinc/07/17/32/369071732.db2.gz ONXQHVFLOUNCDZ-SNVBAGLBSA-N 0 0 222.265 2.108 10 0 BEAERN CCCCNC(=O)N(CC(F)F)C1CC1 ZINC000106512331 369119839 /nfs/dbraw/zinc/11/98/39/369119839.db2.gz WMIIMFWENMDASQ-UHFFFAOYSA-N 0 0 220.263 2.226 10 0 BEAERN Cc1nc([C@@H](N)c2nccs2)sc1C ZINC000161500102 369120822 /nfs/dbraw/zinc/12/08/22/369120822.db2.gz ZAPNJDZMQNARIJ-ZETCQYMHSA-N 0 0 225.342 2.265 10 0 BEAERN Cc1cncc([C@H](O)[C@@H]2CCSC2)c1 ZINC000161494545 369121987 /nfs/dbraw/zinc/12/19/87/369121987.db2.gz BDKWZZHKKZGJMO-MWLCHTKSSA-N 0 0 209.314 2.177 10 0 BEAERN Cc1cncc([C@@H](O)[C@H]2CCSC2)c1 ZINC000161494923 369122659 /nfs/dbraw/zinc/12/26/59/369122659.db2.gz BDKWZZHKKZGJMO-ONGXEEELSA-N 0 0 209.314 2.177 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1CO)C1CCC1 ZINC000457666238 203087782 /nfs/dbraw/zinc/08/77/82/203087782.db2.gz UYKFPSJLXDLVRU-CYZMBNFOSA-N 0 0 239.359 2.090 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1c[nH]cn1 ZINC000616691379 369113185 /nfs/dbraw/zinc/11/31/85/369113185.db2.gz IWLRXRLZEWEFIU-CYBMUJFWSA-N 0 0 228.299 2.403 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cnco1 ZINC000616691361 369113556 /nfs/dbraw/zinc/11/35/56/369113556.db2.gz HZEFQQKGUXHDGH-LLVKDONJSA-N 0 0 215.256 2.278 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cocn1 ZINC000616691348 369113682 /nfs/dbraw/zinc/11/36/82/369113682.db2.gz GZYCJAVFMSJHTK-GFCCVEGCSA-N 0 0 215.256 2.278 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ncc[nH]1 ZINC000616691819 369114411 /nfs/dbraw/zinc/11/44/11/369114411.db2.gz PBYKTCRXHWPGKE-LLVKDONJSA-N 0 0 214.272 2.013 10 0 BEAERN O=C1NCCN1[C@H]1CCCc2ccccc21 ZINC000138424930 259536675 /nfs/dbraw/zinc/53/66/75/259536675.db2.gz AEBKMPHZMZYYEI-LBPRGKRZSA-N 0 0 216.284 2.089 10 0 BEAERN Brc1cnc2c(c1)NCCS2 ZINC000162410324 259537819 /nfs/dbraw/zinc/53/78/19/259537819.db2.gz VNAPXIGWTYUSTL-UHFFFAOYSA-N 0 0 231.118 2.362 10 0 BEAERN C[C@@H]1C[C@@H](c2nnc(Cl)s2)CO1 ZINC000161679371 370961106 /nfs/dbraw/zinc/96/11/06/370961106.db2.gz IQQKMGBPDAVBRR-RFZPGFLSSA-N 0 0 204.682 2.084 10 0 BEAERN CC(C)c1nc2[nH]ccc2c(NC2CC2)n1 ZINC000631033166 370978739 /nfs/dbraw/zinc/97/87/39/370978739.db2.gz ULEIOPWNOCMHPU-UHFFFAOYSA-N 0 0 216.288 2.078 10 0 BEAERN CCCCN(C)c1nc2ccccn2c1C=O ZINC000035433118 168788452 /nfs/dbraw/zinc/78/84/52/168788452.db2.gz WGLAAHKPYUQICN-UHFFFAOYSA-N 0 0 231.299 2.383 10 0 BEAERN O=C(NC[C@H]1CCCCS1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250866996 369614350 /nfs/dbraw/zinc/61/43/50/369614350.db2.gz RPJXIQPJVXNGKJ-WRWGMCAJSA-N 0 0 239.384 2.434 10 0 BEAERN CN(C)c1nccc2nccc(Cl)c21 ZINC000205334513 369874636 /nfs/dbraw/zinc/87/46/36/369874636.db2.gz PMNQDEINVGPJAC-UHFFFAOYSA-N 0 0 207.664 2.349 10 0 BEAERN CC(C)c1ccc(C(=O)NC2CC(CO)C2)cc1 ZINC000620890782 370046213 /nfs/dbraw/zinc/04/62/13/370046213.db2.gz ROSIHRYTWOCZCK-UHFFFAOYSA-N 0 0 247.338 2.311 10 0 BEAERN C[C@@H](CC(=O)NC1CC(CO)C1)CC(C)(C)C ZINC000620886584 370042604 /nfs/dbraw/zinc/04/26/04/370042604.db2.gz DZUMPZPVDHYTNE-UNXYVOJBSA-N 0 0 241.375 2.336 10 0 BEAERN CCOC(=O)C1=C(O)CCC2(CC(C)C2)C1 ZINC000205981967 370062297 /nfs/dbraw/zinc/06/22/97/370062297.db2.gz LVIKDZXFUDJUGV-RUETXSTFSA-N 0 0 224.300 2.335 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000075517676 370141048 /nfs/dbraw/zinc/14/10/48/370141048.db2.gz WRPYIWOLHYITHL-SKDRFNHKSA-N 0 0 233.286 2.382 10 0 BEAERN O=C(NCc1ccc(O)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253096028 370148305 /nfs/dbraw/zinc/14/83/05/370148305.db2.gz PUVRELLBLHSVAC-ZSBIGDGJSA-N 0 0 231.295 2.055 10 0 BEAERN C[C@@H](Nc1nccc2nccnc21)[C@@H]1CCCO1 ZINC000621251507 370185007 /nfs/dbraw/zinc/18/50/07/370185007.db2.gz XJRBOPPZWXIYAD-KOLCDFICSA-N 0 0 244.298 2.004 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cc1C ZINC000077102511 370394906 /nfs/dbraw/zinc/39/49/06/370394906.db2.gz HRXMZQQYEKVSGI-ZIAGYGMSSA-N 0 0 247.338 2.337 10 0 BEAERN CSC[C@H](C)NC(=O)N[C@@H](C)C(C)C ZINC000077338363 370412150 /nfs/dbraw/zinc/41/21/50/370412150.db2.gz POHIAVFCBJFITH-IUCAKERBSA-N 0 0 218.366 2.082 10 0 BEAERN CCc1ccc(CCNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000077661674 370450496 /nfs/dbraw/zinc/45/04/96/370450496.db2.gz UENMWUVUGIILDR-RISCZKNCSA-N 0 0 246.354 2.499 10 0 BEAERN C[C@H]1CCS[C@H](c2nccs2)N1 ZINC000161610969 370575810 /nfs/dbraw/zinc/57/58/10/370575810.db2.gz KEQYNCQDCSTRPL-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN Brc1cncc(O[C@H]2CCOC2)c1 ZINC000070043441 371005809 /nfs/dbraw/zinc/00/58/09/371005809.db2.gz NUUKENQPCPMLMC-QMMMGPOBSA-N 0 0 244.088 2.012 10 0 BEAERN NOCc1csc(-c2ccccc2)n1 ZINC000032010661 181523154 /nfs/dbraw/zinc/52/31/54/181523154.db2.gz LONAHJBTLOAZLM-UHFFFAOYSA-N 0 0 206.270 2.200 10 0 BEAERN O=[N+]([O-])c1sccc1NC[C@@H]1CCC[C@@H]1O ZINC000390777077 371234828 /nfs/dbraw/zinc/23/48/28/371234828.db2.gz GGBDEPYXCAXJMG-CBAPKCEASA-N 0 0 242.300 2.229 10 0 BEAERN [NH3+][C@H](CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000095749154 181616783 /nfs/dbraw/zinc/61/67/83/181616783.db2.gz BCXGVVUDFMBXEM-SECBINFHSA-N 0 0 247.216 2.050 10 0 BEAERN Nc1c[nH]c(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000049234170 181673149 /nfs/dbraw/zinc/67/31/49/181673149.db2.gz MIENERVVBFVKIE-UHFFFAOYSA-N 0 0 248.311 2.183 10 0 BEAERN Nc1c[nH]c(C(=O)OCc2cccs2)c1 ZINC000049585231 181673204 /nfs/dbraw/zinc/67/32/04/181673204.db2.gz IDHASBDIVWIZTG-UHFFFAOYSA-N 0 0 222.269 2.015 10 0 BEAERN Nc1cc(-c2ncccn2)ccc1Cl ZINC000082532502 181675063 /nfs/dbraw/zinc/67/50/63/181675063.db2.gz MBXHRLOAFHFSOZ-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cc(Cc2ccc(Cl)cc2)[nH]n1 ZINC000041217008 181682351 /nfs/dbraw/zinc/68/23/51/181682351.db2.gz VFRSUFCPDIWLTN-UHFFFAOYSA-N 0 0 207.664 2.236 10 0 BEAERN Nc1cc(Cl)ccc1C(=O)NCC1CCC1 ZINC000037179177 181683532 /nfs/dbraw/zinc/68/35/32/181683532.db2.gz PJNPRLPGGBWOOT-UHFFFAOYSA-N 0 0 238.718 2.452 10 0 BEAERN Nc1cc(Cl)c2[nH]c(=O)oc2c1Cl ZINC000062527071 181684005 /nfs/dbraw/zinc/68/40/05/181684005.db2.gz FWTAEQBTWAGHDX-UHFFFAOYSA-N 0 0 219.027 2.422 10 0 BEAERN Nc1cc(Cl)ccc1NCCn1cccn1 ZINC000042539415 181684176 /nfs/dbraw/zinc/68/41/76/181684176.db2.gz DTLYUZRNBAGYGV-UHFFFAOYSA-N 0 0 236.706 2.231 10 0 BEAERN Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000041225872 181694300 /nfs/dbraw/zinc/69/43/00/181694300.db2.gz YIXXDOGDOPCFJL-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1ccc(-c2nc3cnccc3s2)cn1 ZINC000075878160 181696771 /nfs/dbraw/zinc/69/67/71/181696771.db2.gz GHCHUHBBDRYCPL-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Nc1ccc(Cn2ccnc2)c(Cl)c1 ZINC000021987267 181710487 /nfs/dbraw/zinc/71/04/87/181710487.db2.gz BMESEZIHRKZLCD-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Nc1ccc(F)cc1NCC[C@H]1CCCO1 ZINC000052122045 181712005 /nfs/dbraw/zinc/71/20/05/181712005.db2.gz RHXRKMOOSZYQDI-SNVBAGLBSA-N 0 0 224.279 2.389 10 0 BEAERN Nc1cccc(Cl)c1NC(=O)[C@H]1CCCO1 ZINC000050352404 181744947 /nfs/dbraw/zinc/74/49/47/181744947.db2.gz BELGUACBENKZHN-SECBINFHSA-N 0 0 240.690 2.040 10 0 BEAERN Nc1ccc(O)cc1C(=O)OCc1cccs1 ZINC000049584881 181720601 /nfs/dbraw/zinc/72/06/01/181720601.db2.gz HOIGDIGFVBAGLS-UHFFFAOYSA-N 0 0 249.291 2.393 10 0 BEAERN Nc1cccc2c1CCN2C(=O)c1ccco1 ZINC000079419975 181748432 /nfs/dbraw/zinc/74/84/32/181748432.db2.gz JXTOFJOWNXVWOG-UHFFFAOYSA-N 0 0 228.251 2.065 10 0 BEAERN CC(C)Sc1nc(N)cc(Br)n1 ZINC000161761502 371562534 /nfs/dbraw/zinc/56/25/34/371562534.db2.gz SJYNBHGJHIWQTG-UHFFFAOYSA-N 0 0 248.149 2.322 10 0 BEAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1c1csc(N)n1 ZINC000225666916 371565439 /nfs/dbraw/zinc/56/54/39/371565439.db2.gz CXXTUEUUEDLKTM-AYHNYZOXSA-N 0 0 212.318 2.252 10 0 BEAERN O[C@@H](c1ccsc1)c1ncccc1F ZINC000131192066 371567183 /nfs/dbraw/zinc/56/71/83/371567183.db2.gz ZIGZKFFXPFRKLS-JTQLQIEISA-N 0 0 209.245 2.364 10 0 BEAERN Nc1nc(-c2cc(C(F)(F)F)ccn2)ns1 ZINC000067173748 181775962 /nfs/dbraw/zinc/77/59/62/181775962.db2.gz SFZFJDUCYCMFQU-UHFFFAOYSA-N 0 0 246.217 2.201 10 0 BEAERN Nc1nc(-c2c[nH]c3ncc(F)cc23)cs1 ZINC000095937810 181776119 /nfs/dbraw/zinc/77/61/19/181776119.db2.gz VPOZFJWVASQJPX-UHFFFAOYSA-N 0 0 234.259 2.408 10 0 BEAERN Nc1nc(-c2ccccc2)nc2ncccc12 ZINC000005800255 181777716 /nfs/dbraw/zinc/77/77/16/181777716.db2.gz DKHSAMAEYCZXKP-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN Cc1ccc(CO)c(Br)c1F ZINC000215654256 371608928 /nfs/dbraw/zinc/60/89/28/371608928.db2.gz FYXOHMSFDQIAQH-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Clc1cncc2nnc([C@H]3CCCS3)n21 ZINC000162098181 371609892 /nfs/dbraw/zinc/60/98/92/371609892.db2.gz JHMIBTXGCZAIRJ-ZCFIWIBFSA-N 0 0 240.719 2.346 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)Cc2cccs2)CO1 ZINC000162112076 371609914 /nfs/dbraw/zinc/60/99/14/371609914.db2.gz RGHHAEPRXMDEAR-RKDXNWHRSA-N 0 0 210.298 2.285 10 0 BEAERN COC(=O)c1ccccc1-c1c(C)cnn1C ZINC000226136476 371612244 /nfs/dbraw/zinc/61/22/44/371612244.db2.gz FXAMJLIKOIHMHL-UHFFFAOYSA-N 0 0 230.267 2.182 10 0 BEAERN Cc1cc(Cl)ccc1[C@H]([NH3+])CC(=O)[O-] ZINC000215697317 371614108 /nfs/dbraw/zinc/61/41/08/371614108.db2.gz ZDSNXAJSXLCFLF-SECBINFHSA-N 0 0 213.664 2.123 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(F)cc1O ZINC000226433342 371667477 /nfs/dbraw/zinc/66/74/77/371667477.db2.gz IBZPDALJWUNKAX-UHFFFAOYSA-N 0 0 212.220 2.487 10 0 BEAERN Nc1nc(C2CC2)nc(C2CCCCC2)n1 ZINC000082664924 181781871 /nfs/dbraw/zinc/78/18/71/181781871.db2.gz LMXLMYMBQVJQMP-UHFFFAOYSA-N 0 0 218.304 2.379 10 0 BEAERN CCOc1nc(N)c(Cl)cc1Cl ZINC000226625516 371709538 /nfs/dbraw/zinc/70/95/38/371709538.db2.gz YRFMNVCVYWNHCP-UHFFFAOYSA-N 0 0 207.060 2.369 10 0 BEAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccccc1Cl ZINC000216309121 371740112 /nfs/dbraw/zinc/74/01/12/371740112.db2.gz QJXSOPAMQRKNSJ-VIFPVBQESA-N 0 0 227.691 2.451 10 0 BEAERN ON[C@@H]1CCc2cc(Br)ccc2C1 ZINC000131983352 371732001 /nfs/dbraw/zinc/73/20/01/371732001.db2.gz VPKNVERKYAOTPT-SNVBAGLBSA-N 0 0 242.116 2.285 10 0 BEAERN O=c1[nH]c(-c2ccc(Br)o2)cs1 ZINC000131828230 371688165 /nfs/dbraw/zinc/68/81/65/371688165.db2.gz JFZQHUNAVCZMAT-UHFFFAOYSA-N 0 0 246.085 2.459 10 0 BEAERN C[C@H](O)c1csc(N2CCC[C@@H]2C)n1 ZINC000226920776 371756950 /nfs/dbraw/zinc/75/69/50/371756950.db2.gz FPTFXQOSPMKURC-YUMQZZPRSA-N 0 0 212.318 2.185 10 0 BEAERN ONCc1ccc(F)c(Br)c1 ZINC000132155716 371757475 /nfs/dbraw/zinc/75/74/75/371757475.db2.gz ZZDIWCWGTVMSTR-UHFFFAOYSA-N 0 0 220.041 2.067 10 0 BEAERN CCOC(=O)c1cc(C)c(Cl)c(N)c1 ZINC000132147192 371757719 /nfs/dbraw/zinc/75/77/19/371757719.db2.gz XYAAXMKAAGUZMX-UHFFFAOYSA-N 0 0 213.664 2.407 10 0 BEAERN C[C@@H](NO)c1ccccc1Br ZINC000132173349 371761722 /nfs/dbraw/zinc/76/17/22/371761722.db2.gz UPCPXTCPSIPZPR-ZCFIWIBFSA-N 0 0 216.078 2.489 10 0 BEAERN COc1ccccc1[C@@H]1CCC(=O)CC1=O ZINC000216581469 371772037 /nfs/dbraw/zinc/77/20/37/371772037.db2.gz JEFUKPFOXFTMDW-JTQLQIEISA-N 0 0 218.252 2.101 10 0 BEAERN Nc1ccc(-c2ncno2)cc1Br ZINC000227319682 371831636 /nfs/dbraw/zinc/83/16/36/371831636.db2.gz LUVBWRYKJLDXJZ-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CO[C@@H]1CNc2cccc(Cl)c2NC1 ZINC000227340477 371835869 /nfs/dbraw/zinc/83/58/69/371835869.db2.gz BIECRFPLSYMDJI-SSDOTTSWSA-N 0 0 212.680 2.192 10 0 BEAERN COC(=O)Nc1cc(Cl)c(N)cc1C ZINC000132400240 371810719 /nfs/dbraw/zinc/81/07/19/371810719.db2.gz XZAYWWQGYRNNRM-UHFFFAOYSA-N 0 0 214.652 2.409 10 0 BEAERN C[C@@]1(C(=O)C2CCSCC2)C[C@@H]1F ZINC000401779838 371817314 /nfs/dbraw/zinc/81/73/14/371817314.db2.gz AVJMRLMHAFOIIN-WCBMZHEXSA-N 0 0 202.294 2.447 10 0 BEAERN C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)Br ZINC000162780961 371847594 /nfs/dbraw/zinc/84/75/94/371847594.db2.gz KZMKBVAPWVKBCX-HTQZYQBOSA-N 0 0 248.164 2.465 10 0 BEAERN Brc1nsc(-c2ccncc2)n1 ZINC000230109642 371851357 /nfs/dbraw/zinc/85/13/57/371851357.db2.gz FJELBLXOHOHTJS-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@H]1OCC[C@@H]1c1nc(Br)ns1 ZINC000230109249 371851420 /nfs/dbraw/zinc/85/14/20/371851420.db2.gz NEZUJTMNIXVJGU-UHNVWZDZSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@H]1CC[C@H](c2nc(Cl)ns2)O1 ZINC000230112635 371852486 /nfs/dbraw/zinc/85/24/86/371852486.db2.gz NFDBAPKVARNMNU-CRCLSJGQSA-N 0 0 204.682 2.432 10 0 BEAERN C[C@H]1CCO[C@@H]1c1nc(Cl)ns1 ZINC000230114040 371853766 /nfs/dbraw/zinc/85/37/66/371853766.db2.gz YSVUGNIZSVIOOT-WHFBIAKZSA-N 0 0 204.682 2.289 10 0 BEAERN Clc1nsc([C@H]2CCCCO2)n1 ZINC000230113257 371853863 /nfs/dbraw/zinc/85/38/63/371853863.db2.gz IOGPKQXEOPNTMX-RXMQYKEDSA-N 0 0 204.682 2.433 10 0 BEAERN C[C@H]1OCC[C@H]1c1nc(Cl)ns1 ZINC000230113501 371854115 /nfs/dbraw/zinc/85/41/15/371854115.db2.gz WJXOFMVJMIXTKA-RFZPGFLSSA-N 0 0 204.682 2.084 10 0 BEAERN C[C@@]1(c2nc(Cl)ns2)CCCO1 ZINC000230113313 371854117 /nfs/dbraw/zinc/85/41/17/371854117.db2.gz KVUZAGABKYAWIB-ZETCQYMHSA-N 0 0 204.682 2.217 10 0 BEAERN CC(C)Cn1ncc2c1CCCCC2=O ZINC000230184064 371865647 /nfs/dbraw/zinc/86/56/47/371865647.db2.gz YLXAJIUXZCSUHA-UHFFFAOYSA-N 0 0 206.289 2.448 10 0 BEAERN Cc1nn(C)cc1NC(=O)OC(C)(C)C ZINC000227514915 371878516 /nfs/dbraw/zinc/87/85/16/371878516.db2.gz KKLNHCQDAGSTAK-UHFFFAOYSA-N 0 0 211.265 2.076 10 0 BEAERN Cc1cnc(-c2nc(N)cs2)c(C)c1 ZINC000227571564 371896803 /nfs/dbraw/zinc/89/68/03/371896803.db2.gz BRAMSHFGXKYUGE-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC(=O)c1csc(-c2ncc(C)cn2)n1 ZINC000132723946 371907006 /nfs/dbraw/zinc/90/70/06/371907006.db2.gz FWQVIAGBSWXCRX-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN COC(=O)c1cscc1[C@H]1CCOC1 ZINC000132725425 371907279 /nfs/dbraw/zinc/90/72/79/371907279.db2.gz WOVJKKLQCGIMOX-ZETCQYMHSA-N 0 0 212.270 2.039 10 0 BEAERN CN(c1ccnc(F)c1)[C@@H]1CCSC1 ZINC000227640309 371911330 /nfs/dbraw/zinc/91/13/30/371911330.db2.gz KGKNIVCYZPTHKV-SECBINFHSA-N 0 0 212.293 2.162 10 0 BEAERN C[C@H]1CCN1c1cc(Br)ccn1 ZINC000227654836 371916110 /nfs/dbraw/zinc/91/61/10/371916110.db2.gz BAZDGTMCUSZBJZ-ZETCQYMHSA-N 0 0 227.105 2.443 10 0 BEAERN CC[C@@](O)(CO)c1ccc(Br)cc1 ZINC000132776197 371920562 /nfs/dbraw/zinc/92/05/62/371920562.db2.gz FSKLVMOIGVLWMS-SNVBAGLBSA-N 0 0 245.116 2.039 10 0 BEAERN OC[C@H]1CCCCN1c1ccnc(Cl)c1 ZINC000227686182 371921869 /nfs/dbraw/zinc/92/18/69/371921869.db2.gz ZVSJPHJXLLNKNN-SNVBAGLBSA-N 0 0 226.707 2.086 10 0 BEAERN Brc1ccc(Cn2cccn2)nc1 ZINC000132987491 371964352 /nfs/dbraw/zinc/96/43/52/371964352.db2.gz QPOVGMICLJBJIO-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN O=C(/C=C1\CCc2c1cccc2F)NC1CC1 ZINC000027407853 181848355 /nfs/dbraw/zinc/84/83/55/181848355.db2.gz LYPCUQARHBQAMC-CMDGGOBGSA-N 0 0 231.270 2.434 10 0 BEAERN CC[C@H]1C[C@H]1Nc1cnc(Br)cn1 ZINC000306202937 371997979 /nfs/dbraw/zinc/99/79/79/371997979.db2.gz QUGFASHYHROIOZ-NKWVEPMBSA-N 0 0 242.120 2.450 10 0 BEAERN CO[C@@H]1CCC[C@H]1Oc1ccc(F)nc1 ZINC000306426159 372018354 /nfs/dbraw/zinc/01/83/54/372018354.db2.gz KDGAMBNFVGQBJB-NXEZZACHSA-N 0 0 211.236 2.167 10 0 BEAERN COc1ncc(C(=O)[C@@H]2CC2(C)C)s1 ZINC000306497604 372025921 /nfs/dbraw/zinc/02/59/21/372025921.db2.gz BPRGBVHDXCLUTL-LURJTMIESA-N 0 0 211.286 2.381 10 0 BEAERN COc1ncc(C(=O)[C@H]2CC2(C)C)s1 ZINC000306497605 372026051 /nfs/dbraw/zinc/02/60/51/372026051.db2.gz BPRGBVHDXCLUTL-ZCFIWIBFSA-N 0 0 211.286 2.381 10 0 BEAERN C[C@H]1CCN(c2nc(Cl)ccc2N)C1 ZINC000228441448 372029400 /nfs/dbraw/zinc/02/94/00/372029400.db2.gz ITYXEJIXCDKCBZ-ZETCQYMHSA-N 0 0 211.696 2.163 10 0 BEAERN C[C@@H]1CCCN1c1nc(Cl)ccc1N ZINC000228441310 372029410 /nfs/dbraw/zinc/02/94/10/372029410.db2.gz MUOPFZJGRLLUJM-SSDOTTSWSA-N 0 0 211.696 2.306 10 0 BEAERN C[C@@H](c1nnc2cc(Cl)ncn21)C1CC1 ZINC000163711367 372035280 /nfs/dbraw/zinc/03/52/80/372035280.db2.gz RSBHERQSMGWPSL-ZCFIWIBFSA-N 0 0 222.679 2.291 10 0 BEAERN C[C@H](CNC1N=NC(=S)S1)C1CC1 ZINC000133391442 372036259 /nfs/dbraw/zinc/03/62/59/372036259.db2.gz BGBUADNGGOUGQO-RXMQYKEDSA-N 0 0 215.347 2.285 10 0 BEAERN CCC1N=NC(=S)N1[C@@H]1C[C@@]1(C)CC ZINC000306592533 372041462 /nfs/dbraw/zinc/04/14/62/372041462.db2.gz ZPFFWKNLPNLEOB-GMSGAONNSA-N 0 0 211.334 2.490 10 0 BEAERN CCC1N=NC(=S)N1[C@H]1C[C@@]1(C)CC ZINC000306592534 372042202 /nfs/dbraw/zinc/04/22/02/372042202.db2.gz ZPFFWKNLPNLEOB-OIBJUYFYSA-N 0 0 211.334 2.490 10 0 BEAERN Cc1cc(C(=O)c2cn[nH]c2)ccc1F ZINC000306727613 372061444 /nfs/dbraw/zinc/06/14/44/372061444.db2.gz MWMUYKATCJETJJ-UHFFFAOYSA-N 0 0 204.204 2.088 10 0 BEAERN Cc1c(Cl)cccc1NC[C@H](O)CF ZINC000306641696 372048821 /nfs/dbraw/zinc/04/88/21/372048821.db2.gz RBDQIJXMQJJAHB-MRVPVSSYSA-N 0 0 217.671 2.391 10 0 BEAERN Cc1sc(-c2ccc[nH]2)nc1[C@@H](C)O ZINC000306680235 372054586 /nfs/dbraw/zinc/05/45/86/372054586.db2.gz KBDIRENPNWWNHT-ZCFIWIBFSA-N 0 0 208.286 2.500 10 0 BEAERN CC(=O)c1c(O)cc(F)cc1Br ZINC000306688268 372056571 /nfs/dbraw/zinc/05/65/71/372056571.db2.gz MRUHDPPQNVGTOW-UHFFFAOYSA-N 0 0 233.036 2.496 10 0 BEAERN CC[S@@](C)(=O)=Nc1ccc(N)cc1F ZINC000306712833 372058358 /nfs/dbraw/zinc/05/83/58/372058358.db2.gz USPZOZSSILPTTI-CQSZACIVSA-N 0 0 216.281 2.157 10 0 BEAERN CN(C)C(=S)Sc1ccc(Cl)nn1 ZINC000306710717 372058576 /nfs/dbraw/zinc/05/85/76/372058576.db2.gz RJRQDPGCTQLAKM-UHFFFAOYSA-N 0 0 233.749 2.069 10 0 BEAERN S=C1N=NC([C@@H]2CCCS2)N1C1CC1 ZINC000228206505 372004148 /nfs/dbraw/zinc/00/41/48/372004148.db2.gz PWNPPLZAICKGIW-ZETCQYMHSA-N 0 0 227.358 2.470 10 0 BEAERN Cn1cnnc1-c1ccc(Br)s1 ZINC000228238890 372007491 /nfs/dbraw/zinc/00/74/91/372007491.db2.gz NGONACRGZJRGDN-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN COC(=O)c1c(Cl)ccc(F)c1F ZINC000307288984 372108107 /nfs/dbraw/zinc/10/81/07/372108107.db2.gz FGQMNINFLPRZDD-UHFFFAOYSA-N 0 0 206.575 2.405 10 0 BEAERN CCc1ccc(I)cc1N ZINC000133793142 372111802 /nfs/dbraw/zinc/11/18/02/372111802.db2.gz WXDKRHVMMDNADY-UHFFFAOYSA-N 0 0 247.079 2.436 10 0 BEAERN C[C@@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000307333478 372113508 /nfs/dbraw/zinc/11/35/08/372113508.db2.gz BIOCPUMDDVIFKZ-SECBINFHSA-N 0 0 225.723 2.362 10 0 BEAERN Nc1ccc(F)c(O)c1OC(F)(F)F ZINC000306762688 372065733 /nfs/dbraw/zinc/06/57/33/372065733.db2.gz DXMZYPABAJCMQC-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000058603506 372068768 /nfs/dbraw/zinc/06/87/68/372068768.db2.gz KEFISZDIPXYONR-JGVFFNPUSA-N 0 0 209.211 2.244 10 0 BEAERN CCC(C)(C)N(C)C1=NC(=O)CS1 ZINC000306869259 372073643 /nfs/dbraw/zinc/07/36/43/372073643.db2.gz SMLSILVXRAXWQZ-UHFFFAOYSA-N 0 0 200.307 2.474 10 0 BEAERN Fc1cc(Br)c[nH]c1=S ZINC000228820212 372083306 /nfs/dbraw/zinc/08/33/06/372083306.db2.gz SFQXWGALQUVKHW-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN CSCC(=O)Nc1c(C)ccnc1Cl ZINC000228866848 372084785 /nfs/dbraw/zinc/08/47/85/372084785.db2.gz GCQXMLLHJSQQDY-UHFFFAOYSA-N 0 0 230.720 2.345 10 0 BEAERN CNC1(C(F)(F)F)C[C@@H](C)O[C@H](C)C1 ZINC000133675255 372086849 /nfs/dbraw/zinc/08/68/49/372086849.db2.gz HMPOZQPOWCBUOH-RNFRBKRXSA-N 0 0 211.227 2.094 10 0 BEAERN Cc1cc(C)c(C)c2c1[C@H](CCO)CO2 ZINC000606302901 372092254 /nfs/dbraw/zinc/09/22/54/372092254.db2.gz AZFJWPFDPPAPST-LLVKDONJSA-N 0 0 206.285 2.470 10 0 BEAERN O=C1C[C@H](c2cscc2Br)N1 ZINC000307193758 372095798 /nfs/dbraw/zinc/09/57/98/372095798.db2.gz OFPGUUUPBNNBBM-ZCFIWIBFSA-N 0 0 232.102 2.072 10 0 BEAERN COc1ccc2c(c1)[C@H]([C@@H](C)CNC(C)=O)CC2 ZINC000059203657 372149658 /nfs/dbraw/zinc/14/96/58/372149658.db2.gz VJGZYRXNBVKENO-HZMBPMFUSA-N 0 0 247.338 2.497 10 0 BEAERN Cc1cc([C@H](O)[C@@H](O)C(C)C)cs1 ZINC000232750180 372158115 /nfs/dbraw/zinc/15/81/15/372158115.db2.gz ZUNILRCXBNOUBG-UWVGGRQHSA-N 0 0 200.303 2.107 10 0 BEAERN CC(C)Oc1cc(C(F)(F)F)ncc1N ZINC000232757796 372158390 /nfs/dbraw/zinc/15/83/90/372158390.db2.gz GVNDBWLIQYKFBC-UHFFFAOYSA-N 0 0 220.194 2.470 10 0 BEAERN CS[C@@H]1CCCC[C@@H]1NC(=O)C(F)(F)F ZINC000218854639 372159582 /nfs/dbraw/zinc/15/95/82/372159582.db2.gz ASCLIFWFOFJEAV-NKWVEPMBSA-N 0 0 241.278 2.339 10 0 BEAERN Cc1ccc(N)c(NC(=O)C(F)(F)F)c1C ZINC000229557129 372163993 /nfs/dbraw/zinc/16/39/93/372163993.db2.gz MQHBJAHJOISCPB-UHFFFAOYSA-N 0 0 232.205 2.386 10 0 BEAERN C[C@H](NN(C)C)c1cc(F)cc(F)c1 ZINC000134186400 372176006 /nfs/dbraw/zinc/17/60/06/372176006.db2.gz HXGOIWNTOXWMIW-ZETCQYMHSA-N 0 0 200.232 2.092 10 0 BEAERN O=C(CC(=O)N1CCCCC1)Nc1ccccc1 ZINC000026331015 181879981 /nfs/dbraw/zinc/87/99/81/181879981.db2.gz RQFSHGBQGZWVNY-UHFFFAOYSA-N 0 0 246.310 2.028 10 0 BEAERN CCCCN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000101111844 168824320 /nfs/dbraw/zinc/82/43/20/168824320.db2.gz YAHJRAUNYSEJKY-ZDUSSCGKSA-N 0 0 245.322 2.404 10 0 BEAERN FC(F)(F)C1(Nc2ncns2)CC1 ZINC000229739419 372188160 /nfs/dbraw/zinc/18/81/60/372188160.db2.gz ABHOJRCIDJGWSP-UHFFFAOYSA-N 0 0 209.196 2.045 10 0 BEAERN C[C@@H]1C[C@@H](NOCc2ccccc2)CCO1 ZINC000134265954 372189851 /nfs/dbraw/zinc/18/98/51/372189851.db2.gz DFPFJCWFTBDFFT-YPMHNXCESA-N 0 0 221.300 2.275 10 0 BEAERN Cc1cc(C[C@@H]2CCC(=O)N2)c(C)s1 ZINC000134323198 372196724 /nfs/dbraw/zinc/19/67/24/372196724.db2.gz WKLHISPBPYWLNE-JTQLQIEISA-N 0 0 209.314 2.186 10 0 BEAERN COc1cccc([C@H](C)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000171046305 372273883 /nfs/dbraw/zinc/27/38/83/372273883.db2.gz FDBTTXZVSWWHEQ-KWBADKCTSA-N 0 0 233.311 2.323 10 0 BEAERN Cc1ccc(OCC(=O)N[C@@H]2C[C@@H]2C)c(C)c1 ZINC000171059824 372283057 /nfs/dbraw/zinc/28/30/57/372283057.db2.gz LNFNSOPAVTXKGA-CMPLNLGQSA-N 0 0 233.311 2.207 10 0 BEAERN CCC(=O)c1ncccc1Br ZINC000140040319 372396024 /nfs/dbraw/zinc/39/60/24/372396024.db2.gz KKSZEUMHQXPTDY-UHFFFAOYSA-N 0 0 214.062 2.437 10 0 BEAERN Cc1cc(F)c(Br)cc1NN ZINC000140249208 372535505 /nfs/dbraw/zinc/53/55/05/372535505.db2.gz RGNNNKCNSYOFHS-UHFFFAOYSA-N 0 0 219.057 2.182 10 0 BEAERN O=C(CCSc1ccccc1)N1CCCO1 ZINC000125348669 181922474 /nfs/dbraw/zinc/92/24/74/181922474.db2.gz IEMSCEFXUKFWJV-UHFFFAOYSA-N 0 0 237.324 2.333 10 0 BEAERN O=C(CCO)Nc1cc(Cl)cc(Cl)c1 ZINC000049826091 181918437 /nfs/dbraw/zinc/91/84/37/181918437.db2.gz CVEABZUNZCPOCX-UHFFFAOYSA-N 0 0 234.082 2.314 10 0 BEAERN COC(=O)c1ccc2cccc(O)c2c1 ZINC000140550133 372712578 /nfs/dbraw/zinc/71/25/78/372712578.db2.gz VCLWTCIPOBHLQQ-UHFFFAOYSA-N 0 0 202.209 2.332 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000171975048 372844031 /nfs/dbraw/zinc/84/40/31/372844031.db2.gz XSGAOISYXPDNLL-VHSXEESVSA-N 0 0 215.362 2.242 10 0 BEAERN O=C(CSc1cccc[n+]1[O-])c1ccccc1 ZINC000000164049 182009542 /nfs/dbraw/zinc/00/95/42/182009542.db2.gz MKNZGOPMKVYLLT-UHFFFAOYSA-N 0 0 245.303 2.295 10 0 BEAERN O=C(Cc1c[nH]cn1)Nc1ccc(Cl)cc1 ZINC000103586705 182016503 /nfs/dbraw/zinc/01/65/03/182016503.db2.gz UYXLTZLEPQPADG-SNVBAGLBSA-N 0 0 235.674 2.150 10 0 BEAERN CCCn1c(=O)oc(=O)c2cccc(Cl)c21 ZINC000039288083 372932366 /nfs/dbraw/zinc/93/23/66/372932366.db2.gz WZVQIHNOQCEIPB-UHFFFAOYSA-N 0 0 239.658 2.018 10 0 BEAERN CCCCN1Cc2ccc(N)cc2C1=O ZINC000058019098 168835404 /nfs/dbraw/zinc/83/54/04/168835404.db2.gz CMUUPWVSGLWASB-UHFFFAOYSA-N 0 0 204.273 2.025 10 0 BEAERN O=C(Cc1ccccc1)NCc1cccc(O)c1 ZINC000038032227 182044395 /nfs/dbraw/zinc/04/43/95/182044395.db2.gz JDIXDWRISBATBR-UHFFFAOYSA-N 0 0 241.290 2.251 10 0 BEAERN O=C(Cc1ccccn1)c1ccc2c(c1)OCO2 ZINC000034940323 182046137 /nfs/dbraw/zinc/04/61/37/182046137.db2.gz JTYFCBDFMFBHAZ-UHFFFAOYSA-N 0 0 241.246 2.236 10 0 BEAERN O=C(Cc1cccs1)Nc1ccccc1CO ZINC000049363056 182052294 /nfs/dbraw/zinc/05/22/94/182052294.db2.gz ZYZBSOKMZNNMGU-UHFFFAOYSA-N 0 0 247.319 2.422 10 0 BEAERN O=C(Cc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000034940200 182061352 /nfs/dbraw/zinc/06/13/52/182061352.db2.gz JUGGPLIAUBVOSV-GFCCVEGCSA-N 0 0 231.251 2.118 10 0 BEAERN Cc1ccc(C2=[N+]([O-])[C@H](C)N(O)C2(C)C)cc1 ZINC000142017499 373090598 /nfs/dbraw/zinc/09/05/98/373090598.db2.gz MOCRCTQDCNVKHC-JTQLQIEISA-N 0 0 235.307 2.015 10 0 BEAERN COc1cc(Cl)c([C@@H](C)O)cc1OC ZINC000040216928 373117254 /nfs/dbraw/zinc/11/72/54/373117254.db2.gz ZEMOMSFFAKSRBP-ZCFIWIBFSA-N 0 0 216.664 2.411 10 0 BEAERN O=C(NCc1cc[nH]n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172853878 373094798 /nfs/dbraw/zinc/09/47/98/373094798.db2.gz NCIOVTRSYFSKOA-CHWSQXEVSA-N 0 0 247.342 2.242 10 0 BEAERN CSCCNc1ccc(F)cc1N ZINC000068996120 373103436 /nfs/dbraw/zinc/10/34/36/373103436.db2.gz NJGOGSGSTHKQBR-UHFFFAOYSA-N 0 0 200.282 2.183 10 0 BEAERN CSCCNc1cccc(F)c1N ZINC000068995924 373104611 /nfs/dbraw/zinc/10/46/11/373104611.db2.gz KJLWVVBFUAIFTB-UHFFFAOYSA-N 0 0 200.282 2.183 10 0 BEAERN COc1ccc2c(=O)[nH]cc(N(C)C)c2c1 ZINC000142168887 373110246 /nfs/dbraw/zinc/11/02/46/373110246.db2.gz WYZYPWABLKFQRQ-UHFFFAOYSA-N 0 0 218.256 2.015 10 0 BEAERN COc1cc(N2CCCC2)cc(O)c1C(C)=O ZINC000040166198 373115044 /nfs/dbraw/zinc/11/50/44/373115044.db2.gz ZKPUGALZUFYCJM-UHFFFAOYSA-N 0 0 235.283 2.204 10 0 BEAERN O=C(N1C[C@@H]2CCCCC[C@H]21)C(F)(F)F ZINC000378078256 182083747 /nfs/dbraw/zinc/08/37/47/182083747.db2.gz OMSLNICPMAUDEN-JGVFFNPUSA-N 0 0 221.222 2.340 10 0 BEAERN O=C(NC1CC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109080144 182098402 /nfs/dbraw/zinc/09/84/02/182098402.db2.gz IPGZXVNTUSTGLP-NXEZZACHSA-N 0 0 237.249 2.347 10 0 BEAERN O=C(NC1CCCC1)c1cc2ccncc2[nH]1 ZINC000142721472 182110050 /nfs/dbraw/zinc/11/00/50/182110050.db2.gz JBXCDHXCVLBGGK-UHFFFAOYSA-N 0 0 229.283 2.235 10 0 BEAERN CC(C)CCn1cc(Br)c(N)n1 ZINC000040515940 373417348 /nfs/dbraw/zinc/41/73/48/373417348.db2.gz ATBUZQPTQSKVAK-UHFFFAOYSA-N 0 0 232.125 2.274 10 0 BEAERN CCCCNC(=O)N(C)c1cccc(N)c1 ZINC000041022612 168848118 /nfs/dbraw/zinc/84/81/18/168848118.db2.gz UZZXQZMEKNTIMT-UHFFFAOYSA-N 0 0 221.304 2.215 10 0 BEAERN O=Cc1ccc(O[C@H]2CCOC2)c(Cl)c1 ZINC000069622988 373545115 /nfs/dbraw/zinc/54/51/15/373545115.db2.gz OKHGFRKKCIRDDS-VIFPVBQESA-N 0 0 226.659 2.320 10 0 BEAERN O=C(NCC1CCCCC1)c1ccc[nH]1 ZINC000013493585 182146819 /nfs/dbraw/zinc/14/68/19/182146819.db2.gz HIVSTTONWQDHJU-UHFFFAOYSA-N 0 0 206.289 2.325 10 0 BEAERN Nc1ccc(Cl)c(O[C@@H]2CCOC2)c1 ZINC000069635121 373561493 /nfs/dbraw/zinc/56/14/93/373561493.db2.gz PLSFRUKKJDEHFB-MRVPVSSYSA-N 0 0 213.664 2.090 10 0 BEAERN Fc1cccc(Sc2nncs2)n1 ZINC000040712427 373631964 /nfs/dbraw/zinc/63/19/64/373631964.db2.gz CZPLZMVWTBEAQU-UHFFFAOYSA-N 0 0 213.262 2.223 10 0 BEAERN CC[C@H](CC(=O)NC1CC(CO)C1)C(C)(C)C ZINC000633654357 373662617 /nfs/dbraw/zinc/66/26/17/373662617.db2.gz NTRGSRDQPMVUJC-MOENNCHZSA-N 0 0 241.375 2.336 10 0 BEAERN CC[C@@]1(C)C[C@@](O)(C(F)(F)F)CCO1 ZINC000069898462 373973429 /nfs/dbraw/zinc/97/34/29/373973429.db2.gz AIJPIONOQMRXLD-JGVFFNPUSA-N 0 0 212.211 2.259 10 0 BEAERN CC[C@@]1(C)C[C@](O)(C(F)(F)F)CCO1 ZINC000069898456 373973595 /nfs/dbraw/zinc/97/35/95/373973595.db2.gz AIJPIONOQMRXLD-YUMQZZPRSA-N 0 0 212.211 2.259 10 0 BEAERN CC(C)[C@@H]1C[C@](O)(C(F)(F)F)CCO1 ZINC000069898491 373974137 /nfs/dbraw/zinc/97/41/37/373974137.db2.gz CFFVDPNLNMFGQO-YUMQZZPRSA-N 0 0 212.211 2.115 10 0 BEAERN C[C@@H]1CC(=O)c2cccc(Cl)c2[S@@]1=O ZINC000040972977 373974300 /nfs/dbraw/zinc/97/43/00/373974300.db2.gz FHCUUWHNILBCDD-RCNPXXIZSA-N 0 0 228.700 2.423 10 0 BEAERN Clc1ccc([C@H]2COCCN2)s1 ZINC000041212422 374120249 /nfs/dbraw/zinc/12/02/49/374120249.db2.gz OOEAMTUMVNTIAE-ZCFIWIBFSA-N 0 0 203.694 2.062 10 0 BEAERN Clc1ccc([C@@H]2COCCN2)s1 ZINC000041212420 374121154 /nfs/dbraw/zinc/12/11/54/374121154.db2.gz OOEAMTUMVNTIAE-LURJTMIESA-N 0 0 203.694 2.062 10 0 BEAERN Nc1cc(-c2ccc3c(c2)OCCCO3)no1 ZINC000041258520 374124622 /nfs/dbraw/zinc/12/46/22/374124622.db2.gz VWQWIBJFVOMNJH-UHFFFAOYSA-N 0 0 232.239 2.085 10 0 BEAERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000110452373 182229700 /nfs/dbraw/zinc/22/97/00/182229700.db2.gz GYSAQTOHXOGHNK-QWHCGFSZSA-N 0 0 215.296 2.316 10 0 BEAERN C[C@H]1C(=O)CCCN1C(=O)OCc1ccccc1 ZINC000143306819 374153353 /nfs/dbraw/zinc/15/33/53/374153353.db2.gz WHIVJARRXOGLFF-NSHDSACASA-N 0 0 247.294 2.377 10 0 BEAERN CCc1noc([C@H](C)N2CCS[C@@H](C)C2)n1 ZINC000246159714 374179865 /nfs/dbraw/zinc/17/98/65/374179865.db2.gz QTFFMAGYHJETLZ-IUCAKERBSA-N 0 0 241.360 2.130 10 0 BEAERN O=C(NCc1cccc(F)c1)c1ccc(O)cc1 ZINC000020473743 182254882 /nfs/dbraw/zinc/25/48/82/182254882.db2.gz XPNIPZZKIVDZFK-UHFFFAOYSA-N 0 0 245.253 2.461 10 0 BEAERN O=C(NCc1ccccc1)C(=O)c1cccs1 ZINC000049833641 182255688 /nfs/dbraw/zinc/25/56/88/182255688.db2.gz XYEBDSCCOWDSJH-UHFFFAOYSA-N 0 0 245.303 2.247 10 0 BEAERN CC1(n2c(N)n[nH]c2=S)CCCCC1 ZINC000070882949 374224014 /nfs/dbraw/zinc/22/40/14/374224014.db2.gz RNUDTNWUICYOEE-UHFFFAOYSA-N 0 0 212.322 2.202 10 0 BEAERN Nc1c[nH]nc1-c1nc2ccccc2s1 ZINC000143579433 374224616 /nfs/dbraw/zinc/22/46/16/374224616.db2.gz OFRQMIJCICVHME-UHFFFAOYSA-N 0 0 216.269 2.269 10 0 BEAERN Cc1n[nH]c(=S)n1[C@H](C)c1nccs1 ZINC000070734324 374185147 /nfs/dbraw/zinc/18/51/47/374185147.db2.gz DQMZIWIGLMJAOY-RXMQYKEDSA-N 0 0 226.330 2.315 10 0 BEAERN CC(C)N1C(=O)CS[C@H]1c1ccc(N)cc1 ZINC000143848997 374254484 /nfs/dbraw/zinc/25/44/84/374254484.db2.gz YQHGWVGSBNPWKL-LBPRGKRZSA-N 0 0 236.340 2.251 10 0 BEAERN Cn1cc(Sc2cccc(F)n2)cn1 ZINC000042406345 374267816 /nfs/dbraw/zinc/26/78/16/374267816.db2.gz BIYPWNGIJJGVQF-UHFFFAOYSA-N 0 0 209.249 2.105 10 0 BEAERN Cn1cc(Sc2ccc(N)cc2)cn1 ZINC000042405925 374268183 /nfs/dbraw/zinc/26/81/83/374268183.db2.gz KDVXPUUXGUDBFI-UHFFFAOYSA-N 0 0 205.286 2.154 10 0 BEAERN O=C(NCc1ccccc1F)c1ccc(O)cc1 ZINC000007755387 182258270 /nfs/dbraw/zinc/25/82/70/182258270.db2.gz DLGWCYBMOFBDLR-UHFFFAOYSA-N 0 0 245.253 2.461 10 0 BEAERN CSCc1noc(C2CCC(=O)CC2)n1 ZINC000070997126 374238748 /nfs/dbraw/zinc/23/87/48/374238748.db2.gz DLTSQXZCUYEIIL-UHFFFAOYSA-N 0 0 226.301 2.159 10 0 BEAERN CCc1noc([C@@H]2CCCCCC2=O)n1 ZINC000070996904 374238988 /nfs/dbraw/zinc/23/89/88/374238988.db2.gz ZIQKLILXUYJCNS-MRVPVSSYSA-N 0 0 208.261 2.249 10 0 BEAERN CC(C)c1noc([C@@H]2CCCCC2=O)n1 ZINC000070996838 374239090 /nfs/dbraw/zinc/23/90/90/374239090.db2.gz ABRYIRDYJMFKAC-MRVPVSSYSA-N 0 0 208.261 2.420 10 0 BEAERN CC(C)c1noc([C@H]2CCCCC2=O)n1 ZINC000070996841 374239175 /nfs/dbraw/zinc/23/91/75/374239175.db2.gz ABRYIRDYJMFKAC-QMMMGPOBSA-N 0 0 208.261 2.420 10 0 BEAERN O[C@@H](Cc1ncccc1Br)C1CC1 ZINC000071005134 374240989 /nfs/dbraw/zinc/24/09/89/374240989.db2.gz QRAJOZHSVXVSSY-JTQLQIEISA-N 0 0 242.116 2.158 10 0 BEAERN CN(Cc1cscn1)c1nsnc1Cl ZINC000042870970 374294552 /nfs/dbraw/zinc/29/45/52/374294552.db2.gz FMVAYXWFRUSLLU-UHFFFAOYSA-N 0 0 246.748 2.284 10 0 BEAERN O=C(NOCC(F)(F)F)OCc1ccccc1 ZINC000090395265 182281859 /nfs/dbraw/zinc/28/18/59/182281859.db2.gz QXFPDBVXPKXQDQ-UHFFFAOYSA-N 0 0 249.188 2.407 10 0 BEAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cccs1 ZINC000225643914 182293845 /nfs/dbraw/zinc/29/38/45/182293845.db2.gz TWDNYEWQKJELGD-VHSXEESVSA-N 0 0 239.340 2.029 10 0 BEAERN CSC1(CNC(=O)N[C@H](C)C(C)C)CC1 ZINC000194804095 206110041 /nfs/dbraw/zinc/11/00/41/206110041.db2.gz BUSTVUGYFFTKQR-SECBINFHSA-N 0 0 230.377 2.226 10 0 BEAERN O=C(Nc1ccc(F)c(F)c1F)c1cn[nH]c1 ZINC000035732382 182355119 /nfs/dbraw/zinc/35/51/19/182355119.db2.gz LHQHEUGPRWHUKJ-UHFFFAOYSA-N 0 0 241.172 2.079 10 0 BEAERN CCCCNC(=S)NC(=O)CC(C)(C)C ZINC000040902279 168865772 /nfs/dbraw/zinc/86/57/72/168865772.db2.gz RJURLSLICLIAHO-UHFFFAOYSA-N 0 0 230.377 2.213 10 0 BEAERN O=C(Nc1ccc(=O)[nH]c1)c1ncccc1Cl ZINC000357723114 182360417 /nfs/dbraw/zinc/36/04/17/182360417.db2.gz UPPDDCAUNVDVLA-UHFFFAOYSA-N 0 0 249.657 2.088 10 0 BEAERN O=C(Nc1ccccc1)N[C@H]1CCCC[C@@H]1CO ZINC000219069651 182375500 /nfs/dbraw/zinc/37/55/00/182375500.db2.gz SBUOBHLFSAHRPF-YPMHNXCESA-N 0 0 248.326 2.359 10 0 BEAERN O=C(Nc1cn[nH]c1)OCc1ccccc1 ZINC000035764509 182391180 /nfs/dbraw/zinc/39/11/80/182391180.db2.gz HOYQHOBEVBNOHC-UHFFFAOYSA-N 0 0 217.228 2.158 10 0 BEAERN O=C(Nc1ccccc1O)c1ccc(O)cc1 ZINC000027095334 182379899 /nfs/dbraw/zinc/37/98/99/182379899.db2.gz OBOCNKZMVQJDDA-UHFFFAOYSA-N 0 0 229.235 2.350 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000070501862 182512661 /nfs/dbraw/zinc/51/26/61/182512661.db2.gz BPOTYQUXSHBWQV-GHMZBOCLSA-N 0 0 239.340 2.481 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@H]1[NH+]1CCCCCC1 ZINC000062750324 182512874 /nfs/dbraw/zinc/51/28/74/182512874.db2.gz AAHQIJOTSMDMSQ-GHMZBOCLSA-N 0 0 211.305 2.116 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)c1ccc(O)cc1 ZINC000037969153 182502571 /nfs/dbraw/zinc/50/25/71/182502571.db2.gz RSGJMHROMPZLOI-LBPRGKRZSA-N 0 0 235.283 2.050 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1F ZINC000082551113 182526782 /nfs/dbraw/zinc/52/67/82/182526782.db2.gz QFHKIYFEWGDIOG-SNVBAGLBSA-N 0 0 243.665 2.357 10 0 BEAERN O=C(c1ccc2c(c1)OCCCO2)C1CC1 ZINC000009237732 182666770 /nfs/dbraw/zinc/66/67/70/182666770.db2.gz YWAVZQPPUQEPBV-UHFFFAOYSA-N 0 0 218.252 2.441 10 0 BEAERN O=C(c1cccnc1)c1ccccc1F ZINC000045028780 182684394 /nfs/dbraw/zinc/68/43/94/182684394.db2.gz OJHTXHVBCUFNDO-UHFFFAOYSA-N 0 0 201.200 2.452 10 0 BEAERN O=C(c1ccsc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035368916 182696197 /nfs/dbraw/zinc/69/61/97/182696197.db2.gz SPXLEVDKYRQWQS-UHFFFAOYSA-N 0 0 244.275 2.149 10 0 BEAERN O=C1CCC2=C(CCc3cccc(F)c32)N1 ZINC000013861369 182725585 /nfs/dbraw/zinc/72/55/85/182725585.db2.gz GCXSWYQCSKJOCM-UHFFFAOYSA-N 0 0 217.243 2.393 10 0 BEAERN O=C1N(c2ccccc2)C[C@]1(F)Br ZINC000104841397 182790076 /nfs/dbraw/zinc/79/00/76/182790076.db2.gz QMPIGDCFDKPVQK-SECBINFHSA-N 0 0 244.063 2.094 10 0 BEAERN O=C1NCC[C@H]1c1ccc(Cl)s1 ZINC000057491049 182809297 /nfs/dbraw/zinc/80/92/97/182809297.db2.gz KQRORELQRUHYMT-YFKPBYRVSA-N 0 0 201.678 2.005 10 0 BEAERN O=CC(=O)c1ccc(Cl)cc1Cl ZINC000060176263 182849093 /nfs/dbraw/zinc/84/90/93/182849093.db2.gz XQZIEIIQHUCWSQ-UHFFFAOYSA-N 0 0 203.024 2.375 10 0 BEAERN O=C1Nc2ccccc2N[C@@H]2CCC[C@@H]12 ZINC000082381672 182824111 /nfs/dbraw/zinc/82/41/11/182824111.db2.gz YKYJANXYUWECMC-RKDXNWHRSA-N 0 0 202.257 2.219 10 0 BEAERN O=C1[C@@H]2CCCC[C@H]2C(=O)N1C1CCCCC1 ZINC000003017304 182838680 /nfs/dbraw/zinc/83/86/80/182838680.db2.gz YPXBAEVNAPKDJC-VXGBXAGGSA-N 0 0 235.327 2.494 10 0 BEAERN O=C1[C@H](c2ccccc2)[C@H]2CCCCN12 ZINC000034590162 182841130 /nfs/dbraw/zinc/84/11/30/182841130.db2.gz BGCURPUAMJAFSI-VXGBXAGGSA-N 0 0 201.269 2.165 10 0 BEAERN O=Cc1cc(Br)cc2c1NCC2 ZINC000082360182 182862185 /nfs/dbraw/zinc/86/21/85/182862185.db2.gz XNNCDWLLVWPJTJ-UHFFFAOYSA-N 0 0 226.073 2.230 10 0 BEAERN O=Cc1cccc(OC[C@H]2CCCCO2)c1 ZINC000035150030 182871526 /nfs/dbraw/zinc/87/15/26/182871526.db2.gz GMBMVNQXJIWSSN-CYBMUJFWSA-N 0 0 220.268 2.447 10 0 BEAERN O=Cc1cn2ccc(C(F)(F)F)cc2n1 ZINC000074139971 182874750 /nfs/dbraw/zinc/87/47/50/182874750.db2.gz KWFJYFOILOXEDE-UHFFFAOYSA-N 0 0 214.146 2.166 10 0 BEAERN O=Cc1cnn(-c2ccc(OC(F)F)cc2)c1 ZINC000040544293 182875048 /nfs/dbraw/zinc/87/50/48/182875048.db2.gz IYDABZHQDJMKQV-UHFFFAOYSA-N 0 0 238.193 2.286 10 0 BEAERN O=S(=O)(NC1=CCCCC1)c1ccccc1 ZINC000100290213 182894090 /nfs/dbraw/zinc/89/40/90/182894090.db2.gz VRCLPTSRBYAVBQ-UHFFFAOYSA-N 0 0 237.324 2.423 10 0 BEAERN CC(C)C[C@H](C)NC(=O)c1ncncc1Cl ZINC000178687892 134312696 /nfs/dbraw/zinc/31/26/96/134312696.db2.gz KFERHQKVOSGCTD-QMMMGPOBSA-N 0 0 241.722 2.294 10 0 BEAERN CCCC[C@@H](C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000374392072 168936532 /nfs/dbraw/zinc/93/65/32/168936532.db2.gz YKGXDODNKCQJAK-CHWSQXEVSA-N 0 0 241.375 2.434 10 0 BEAERN CCCC[C@@H](C)C(=O)N1CCCC[C@H](CO)C1 ZINC000374392073 168937037 /nfs/dbraw/zinc/93/70/37/168937037.db2.gz YKGXDODNKCQJAK-OLZOCXBDSA-N 0 0 241.375 2.434 10 0 BEAERN CCCC[C@@H](C)C(=O)NC[C@H](O)C(C)(C)C ZINC000324324399 168940016 /nfs/dbraw/zinc/94/00/16/168940016.db2.gz IUCFSNUBWRPYSE-MNOVXSKESA-N 0 0 229.364 2.336 10 0 BEAERN O=c1[nH]c2ccc(-c3ccncc3)cc2o1 ZINC000013733673 182973311 /nfs/dbraw/zinc/97/33/11/182973311.db2.gz TZDJHNBPMSNQGS-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN O=c1[nH]cc(-c2cc(F)cc(F)c2)s1 ZINC000072191804 182976402 /nfs/dbraw/zinc/97/64/02/182976402.db2.gz ZKOCGBKWWKYGIG-UHFFFAOYSA-N 0 0 213.208 2.382 10 0 BEAERN O=c1[nH]nc(N2CCCCCC2)c2ccccc21 ZINC000035537739 182981880 /nfs/dbraw/zinc/98/18/80/182981880.db2.gz PLBDKPOYQNEIOF-UHFFFAOYSA-N 0 0 243.310 2.304 10 0 BEAERN O=c1c(CO)coc2c1CSc1ccccc1-2 ZINC000028769340 182984408 /nfs/dbraw/zinc/98/44/08/182984408.db2.gz UFZRQPKATGBDDR-UHFFFAOYSA-N 0 0 246.287 2.405 10 0 BEAERN O=c1ccc(-c2ccc(-c3cc[nH]n3)cc2)c[nH]1 ZINC000065532664 182997960 /nfs/dbraw/zinc/99/79/60/182997960.db2.gz KFWJRMGKEWPIGQ-UHFFFAOYSA-N 0 0 237.262 2.432 10 0 BEAERN O=c1ccn(-c2cccc(Cl)c2)cc1O ZINC000149912420 183003277 /nfs/dbraw/zinc/00/32/77/183003277.db2.gz UXPXIVVMILILBH-UHFFFAOYSA-N 0 0 221.643 2.197 10 0 BEAERN O=c1cnc(-c2ccccc2C(F)(F)F)c[nH]1 ZINC000044117641 183006441 /nfs/dbraw/zinc/00/64/41/183006441.db2.gz QHVCGMYZCXJIKF-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1cnc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000044117451 183006493 /nfs/dbraw/zinc/00/64/93/183006493.db2.gz CLJYPODQUJHFGZ-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1cncc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000044120122 183007274 /nfs/dbraw/zinc/00/72/74/183007274.db2.gz LMXKLXIIHMLXFX-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1cncc(-c2ccccc2C(F)(F)F)[nH]1 ZINC000044121748 183007361 /nfs/dbraw/zinc/00/73/61/183007361.db2.gz TUYXUGFHDGJIRT-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1nc(-c2ccoc2)c2ccccc2[nH]1 ZINC000072192264 183008959 /nfs/dbraw/zinc/00/89/59/183008959.db2.gz JRECPBJOTDWFDW-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN O=c1cc[nH]c(-c2cccc(F)c2F)c1 ZINC000065355749 182996050 /nfs/dbraw/zinc/99/60/50/182996050.db2.gz IIJLGZHMJOCGFI-UHFFFAOYSA-N 0 0 207.179 2.320 10 0 BEAERN O=C1NCc2c1cccc2N[C@H]1CCCOCC1 ZINC000329450231 183026064 /nfs/dbraw/zinc/02/60/64/183026064.db2.gz OPZGHFNSCUJHGC-JTQLQIEISA-N 0 0 246.310 2.486 10 0 BEAERN OCCC1(CNc2cccc(F)n2)CCC1 ZINC000132636397 183042303 /nfs/dbraw/zinc/04/23/03/183042303.db2.gz XBZAREHGZZQWTO-UHFFFAOYSA-N 0 0 224.279 2.185 10 0 BEAERN OCC1(Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000126606056 183039238 /nfs/dbraw/zinc/03/92/38/183039238.db2.gz SGKNQKGAOGTUDG-UHFFFAOYSA-N 0 0 232.205 2.037 10 0 BEAERN OCC1(Nc2ccc(Cl)cc2)CCOCC1 ZINC000038119659 183039469 /nfs/dbraw/zinc/03/94/69/183039469.db2.gz BHPHJZACMAGGIX-UHFFFAOYSA-N 0 0 241.718 2.293 10 0 BEAERN OCC1(Nc2ccccc2Cl)CCOCC1 ZINC000038113594 183039736 /nfs/dbraw/zinc/03/97/36/183039736.db2.gz JTSAXIUHTHAYMV-UHFFFAOYSA-N 0 0 241.718 2.293 10 0 BEAERN OCC1(Nc2cncc(Cl)n2)CCCCC1 ZINC000053128406 183039787 /nfs/dbraw/zinc/03/97/87/183039787.db2.gz ZIWRUSMXKPTWGG-UHFFFAOYSA-N 0 0 241.722 2.237 10 0 BEAERN CCCC[C@H](CC)C(=O)NC(C)(C)[C@@H](C)O ZINC000128479584 168994206 /nfs/dbraw/zinc/99/42/06/168994206.db2.gz IODMTLYKZUNDEF-MNOVXSKESA-N 0 0 229.364 2.478 10 0 BEAERN OC[C@@H]1CCCC[C@H]1Nc1ncncc1Cl ZINC000221246496 183118810 /nfs/dbraw/zinc/11/88/10/183118810.db2.gz XPDQJZRVKKKVEX-WCBMZHEXSA-N 0 0 241.722 2.093 10 0 BEAERN OCCc1ccc(Br)s1 ZINC000041215541 183099521 /nfs/dbraw/zinc/09/95/21/183099521.db2.gz IHOCRMPRADFCNM-UHFFFAOYSA-N 0 0 207.092 2.045 10 0 BEAERN CCCC[C@H](O)[P@@](=O)([O-])[C@@H]([NH3+])CC(C)C ZINC000028702381 169013120 /nfs/dbraw/zinc/01/31/20/169013120.db2.gz KKHDAIVYMWBULL-NXEZZACHSA-N 0 0 237.280 2.096 10 0 BEAERN CCCCc1cc(C(=O)NC)c(N)s1 ZINC000104423101 169018254 /nfs/dbraw/zinc/01/82/54/169018254.db2.gz QIRWRZLSGIAWCZ-UHFFFAOYSA-N 0 0 212.318 2.033 10 0 BEAERN OC[C@@]1(Nc2cccc(F)c2)CCCSC1 ZINC000061590885 183134202 /nfs/dbraw/zinc/13/42/02/183134202.db2.gz NGWYPLOOYKYOSY-LBPRGKRZSA-N 0 0 241.331 2.496 10 0 BEAERN OC[C@H](Nc1ccccc1Cl)[C@H]1CCOC1 ZINC000038113500 183142583 /nfs/dbraw/zinc/14/25/83/183142583.db2.gz VUAIFYBMOOVCKD-CABZTGNLSA-N 0 0 241.718 2.149 10 0 BEAERN CCCCn1c(=O)c(N)c(CCC)n1CC ZINC000041043685 169032032 /nfs/dbraw/zinc/03/20/32/169032032.db2.gz MBRNYLCBKDSPEI-UHFFFAOYSA-N 0 0 225.336 2.005 10 0 BEAERN CCCCn1[nH]c2ccc(C)cc2c1=O ZINC000140929547 169032241 /nfs/dbraw/zinc/03/22/41/169032241.db2.gz HMBWNMKWZBZTMD-UHFFFAOYSA-N 0 0 204.273 2.438 10 0 BEAERN OC[C@H]1CCCCN(c2ccnc(Cl)c2)C1 ZINC000363939343 183147560 /nfs/dbraw/zinc/14/75/60/183147560.db2.gz SDWYXOBEYKECPB-JTQLQIEISA-N 0 0 240.734 2.334 10 0 BEAERN OC[C@H]1CCCC[C@H]1Nc1ncc(Cl)cn1 ZINC000224414029 183148805 /nfs/dbraw/zinc/14/88/05/183148805.db2.gz JKOLMBXIWYXNKS-PSASIEDQSA-N 0 0 241.722 2.093 10 0 BEAERN OC[C@H]1CCCCN1c1nc2ccccc2o1 ZINC000040444173 183148882 /nfs/dbraw/zinc/14/88/82/183148882.db2.gz BAGRIGGSXQDFJA-SNVBAGLBSA-N 0 0 232.283 2.179 10 0 BEAERN CCCCn1cnc(=O)c2ccccc21 ZINC000001848394 169037152 /nfs/dbraw/zinc/03/71/52/169037152.db2.gz XEVUOWUIRWUKFT-UHFFFAOYSA-N 0 0 202.257 2.197 10 0 BEAERN OC[C@H]1CNc2cc(Br)ccc2C1 ZINC000011633126 183155953 /nfs/dbraw/zinc/15/59/53/183155953.db2.gz BBYZSCMYEKZTPF-SSDOTTSWSA-N 0 0 242.116 2.026 10 0 BEAERN OC[C@H]1OCCc2c(Br)cccc21 ZINC000113516410 183156618 /nfs/dbraw/zinc/15/66/18/183156618.db2.gz JNBDTYWSSUFSSN-SNVBAGLBSA-N 0 0 243.100 2.055 10 0 BEAERN OCc1ccc(COc2ccccc2)o1 ZINC000041212491 183164994 /nfs/dbraw/zinc/16/49/94/183164994.db2.gz JHQOGHMUKCSROH-UHFFFAOYSA-N 0 0 204.225 2.351 10 0 BEAERN OC[C@]1(Nc2ccccc2F)CCSC1 ZINC000038119707 183159168 /nfs/dbraw/zinc/15/91/68/183159168.db2.gz PPNQTECXAFTIMN-LLVKDONJSA-N 0 0 227.304 2.106 10 0 BEAERN CCCN(C(=O)Cc1cccc(N)c1)C(C)C ZINC000052922381 169042654 /nfs/dbraw/zinc/04/26/54/169042654.db2.gz SCZSMSBMAYZNCD-UHFFFAOYSA-N 0 0 234.343 2.458 10 0 BEAERN OCc1ccc(CO[C@@H]2CCCCO2)cc1 ZINC000090727893 183164262 /nfs/dbraw/zinc/16/42/62/183164262.db2.gz SODNLOGCPXYAEK-CYBMUJFWSA-N 0 0 222.284 2.222 10 0 BEAERN CCCN(C(=O)c1cc(N)ccc1F)C1CC1 ZINC000035651520 169046533 /nfs/dbraw/zinc/04/65/33/169046533.db2.gz LXPJRCUFGFFFAI-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN O[C@@H](Cc1ccc(F)cc1)c1ccncc1 ZINC000037464832 183183281 /nfs/dbraw/zinc/18/32/81/183183281.db2.gz YQDQZHAWURWBSW-ZDUSSCGKSA-N 0 0 217.243 2.497 10 0 BEAERN OCc1ccc(OCCc2cccnc2)cc1 ZINC000041251152 183165840 /nfs/dbraw/zinc/16/58/40/183165840.db2.gz BPMWJWGSTAWGQA-UHFFFAOYSA-N 0 0 229.279 2.195 10 0 BEAERN OCc1ccc(OC(F)F)c(OC(F)F)c1 ZINC000066309465 183166094 /nfs/dbraw/zinc/16/60/94/183166094.db2.gz CXMMIPRPYGDANY-UHFFFAOYSA-N 0 0 240.152 2.382 10 0 BEAERN OCc1ccc([C@H]2CCCc3cncn32)cc1 ZINC000013820298 183166636 /nfs/dbraw/zinc/16/66/36/183166636.db2.gz HNWGYDJRCZATGH-CQSZACIVSA-N 0 0 228.295 2.301 10 0 BEAERN OCc1cccc(Oc2ccc(Cl)nn2)c1 ZINC000043475595 183168150 /nfs/dbraw/zinc/16/81/50/183168150.db2.gz HBPLXFJPYLVFJL-UHFFFAOYSA-N 0 0 236.658 2.415 10 0 BEAERN OCc1n[nH]c2cccc(C(F)(F)F)c21 ZINC000089195769 183170097 /nfs/dbraw/zinc/17/00/97/183170097.db2.gz FPAFCNJVRVQAOC-UHFFFAOYSA-N 0 0 216.162 2.074 10 0 BEAERN OCc1csc(Cc2ccccc2)n1 ZINC000039395563 183170951 /nfs/dbraw/zinc/17/09/51/183170951.db2.gz QMCGUQMAJDZBAM-UHFFFAOYSA-N 0 0 205.282 2.226 10 0 BEAERN OCc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000049827137 183171014 /nfs/dbraw/zinc/17/10/14/183171014.db2.gz RWABLUUDASQMIF-UHFFFAOYSA-N 0 0 235.264 2.031 10 0 BEAERN OCc1sc(N2CCCCC2)nc1Cl ZINC000045206312 183171772 /nfs/dbraw/zinc/17/17/72/183171772.db2.gz OKMXAJIELTYZPQ-UHFFFAOYSA-N 0 0 232.736 2.279 10 0 BEAERN O[C@@H]1CCCc2cc3c(cc21)OCCCO3 ZINC000031889105 183197667 /nfs/dbraw/zinc/19/76/67/183197667.db2.gz GSLZVAABGRYIDB-LLVKDONJSA-N 0 0 220.268 2.218 10 0 BEAERN O[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000077389567 183201001 /nfs/dbraw/zinc/20/10/01/183201001.db2.gz YCSSRKZRJPVBAC-SNVBAGLBSA-N 0 0 242.116 2.020 10 0 BEAERN O[C@@H]1CCOC[C@H]1Cc1ccccc1Cl ZINC000095078351 183201898 /nfs/dbraw/zinc/20/18/98/183201898.db2.gz VCXJTBZLSCTMRP-ZYHUDNBSSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@@H](c1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000050971618 183186198 /nfs/dbraw/zinc/18/61/98/183186198.db2.gz UDJKTQRJLKSPGK-KBPBESRZSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@@H]1CCC=C[C@]1(O)c1ccc(Cl)cc1 ZINC000021995592 183186833 /nfs/dbraw/zinc/18/68/33/183186833.db2.gz ZIKGSULOMNYSGC-NEPJUHHUSA-N 0 0 224.687 2.239 10 0 BEAERN CCCN(C)C(=O)c1cc(F)c(F)cc1N ZINC000050016600 169060176 /nfs/dbraw/zinc/06/01/76/169060176.db2.gz IJLLFNWXMCDKKK-UHFFFAOYSA-N 0 0 228.242 2.029 10 0 BEAERN O[C@H](Cc1cccc(F)c1F)C[C@H]1CCCO1 ZINC000053783761 183227195 /nfs/dbraw/zinc/22/71/95/183227195.db2.gz CIIYGXMFVICACO-GHMZBOCLSA-N 0 0 242.265 2.437 10 0 BEAERN O[C@H](Cc1ccncc1)Cc1cccc(F)c1 ZINC000053134328 183227405 /nfs/dbraw/zinc/22/74/05/183227405.db2.gz QTUPDQLERMCTDU-CQSZACIVSA-N 0 0 231.270 2.367 10 0 BEAERN O[C@H](Cc1ccc(F)cc1)c1cccnc1 ZINC000037464752 183227855 /nfs/dbraw/zinc/22/78/55/183227855.db2.gz IKXUVYRDLYKSCY-CYBMUJFWSA-N 0 0 217.243 2.497 10 0 BEAERN CCC[N@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751080 169086832 /nfs/dbraw/zinc/08/68/32/169086832.db2.gz UBDBAKIMCVFECS-WDEREUQCSA-N 0 0 213.321 2.362 10 0 BEAERN O[C@H](c1ccccc1F)c1ncccc1F ZINC000075872664 183229412 /nfs/dbraw/zinc/22/94/12/183229412.db2.gz IAIKKDVAKSLJSQ-GFCCVEGCSA-N 0 0 221.206 2.442 10 0 BEAERN O[C@H](c1ccc2ncccc2c1)[C@@H]1CCOC1 ZINC000069051577 183229454 /nfs/dbraw/zinc/22/94/54/183229454.db2.gz TYWXLFDJIKGKSR-TZMCWYRMSA-N 0 0 229.279 2.305 10 0 BEAERN O[C@@H]1C[C@@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415211 183211427 /nfs/dbraw/zinc/21/14/27/183211427.db2.gz LTCOYNNCHWPNEU-TVQRCGJNSA-N 0 0 232.258 2.312 10 0 BEAERN O[C@@H]1C[C@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415184 183211839 /nfs/dbraw/zinc/21/18/39/183211839.db2.gz BFULYIOJZDQMSS-ZWNOBZJWSA-N 0 0 214.268 2.173 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1cc(F)c(F)c(F)c1 ZINC000061096197 183238539 /nfs/dbraw/zinc/23/85/39/183238539.db2.gz CAPDLMKPRMTGKM-ZJUUUORDSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H]1CCOC[C@@H]1Cc1cccc(Cl)c1 ZINC000095078338 183241093 /nfs/dbraw/zinc/24/10/93/183241093.db2.gz DLFADWLYHQWTNJ-JQWIXIFHSA-N 0 0 226.703 2.280 10 0 BEAERN CCCN(CC)C(=O)c1sccc1N ZINC000040302707 169120394 /nfs/dbraw/zinc/12/03/94/169120394.db2.gz GOBIMLVGOJFKOI-UHFFFAOYSA-N 0 0 212.318 2.202 10 0 BEAERN O[C@H]1c2cc(Br)ccc2NC12CC2 ZINC000082328010 183249231 /nfs/dbraw/zinc/24/92/31/183249231.db2.gz URZVZPRAJJTLAG-VIFPVBQESA-N 0 0 240.100 2.441 10 0 BEAERN CCS(=O)(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103163341 170618938 /nfs/dbraw/zinc/61/89/38/170618938.db2.gz HBFJRJQQPZMYBZ-WDEREUQCSA-N 0 0 233.377 2.141 10 0 BEAERN O[C@]1(C(F)(F)F)CC(c2ccsc2)=NO1 ZINC000032917206 183250808 /nfs/dbraw/zinc/25/08/08/183250808.db2.gz OYONENQGBRRCOD-SSDOTTSWSA-N 0 0 237.202 2.123 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1ncnc2ccccc21 ZINC000052005773 183234545 /nfs/dbraw/zinc/23/45/45/183234545.db2.gz ZXXOBQFIXKIYIX-OLZOCXBDSA-N 0 0 243.310 2.345 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ccnc(Cl)c1 ZINC000229733145 183237834 /nfs/dbraw/zinc/23/78/34/183237834.db2.gz RELSGOCXMGKACE-WPRPVWTQSA-N 0 0 226.707 2.308 10 0 BEAERN Oc1ccc2c(c1)OC[C@H]2Nc1cccnc1 ZINC000019884468 183282103 /nfs/dbraw/zinc/28/21/03/183282103.db2.gz MGQHDHOSLZMQSJ-GFCCVEGCSA-N 0 0 228.251 2.333 10 0 BEAERN Oc1ccc(NCC2CCOCC2)cc1 ZINC000052178288 183274773 /nfs/dbraw/zinc/27/47/73/183274773.db2.gz IMDGHGZAHHWGMZ-UHFFFAOYSA-N 0 0 207.273 2.231 10 0 BEAERN Oc1ccc(NC[C@@H]2CCC=CO2)cc1 ZINC000050268954 183275813 /nfs/dbraw/zinc/27/58/13/183275813.db2.gz JUVDIKCLTKYLFI-LBPRGKRZSA-N 0 0 205.257 2.497 10 0 BEAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cccnc1 ZINC000019884467 183281726 /nfs/dbraw/zinc/28/17/26/183281726.db2.gz MGQHDHOSLZMQSJ-LBPRGKRZSA-N 0 0 228.251 2.333 10 0 BEAERN CCCN(CCC)C(=O)c1cc(N)cnc1C ZINC000038094813 169144778 /nfs/dbraw/zinc/14/47/78/169144778.db2.gz VIADUCBNMKAHSF-UHFFFAOYSA-N 0 0 235.331 2.234 10 0 BEAERN Oc1ccc2nc(Br)ncc2c1 ZINC000146605399 183286010 /nfs/dbraw/zinc/28/60/10/183286010.db2.gz WJNTVPYCTHYALZ-UHFFFAOYSA-N 0 0 225.045 2.098 10 0 BEAERN Oc1cccc(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC000111686909 183288272 /nfs/dbraw/zinc/28/82/72/183288272.db2.gz GIFPKSFEURIVJW-LLVKDONJSA-N 0 0 246.266 2.164 10 0 BEAERN Oc1ccccc1CO[C@@H]1CCCCO1 ZINC000090715437 183304088 /nfs/dbraw/zinc/30/40/88/183304088.db2.gz LUXCPAGCLDDEPB-GFCCVEGCSA-N 0 0 208.257 2.435 10 0 BEAERN Oc1cncc(-c2ccc(O)c(F)c2)c1 ZINC000065337825 183305099 /nfs/dbraw/zinc/30/50/99/183305099.db2.gz GOWPYYASMNVMJZ-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN c1c[nH]c(Cc2ccc(-c3ncc[nH]3)cc2)n1 ZINC000089202729 183327927 /nfs/dbraw/zinc/32/79/27/183327927.db2.gz RZTJNECSBWPDLD-UHFFFAOYSA-N 0 0 224.267 2.391 10 0 BEAERN O=c1[nH]nc(-c2ccco2)cc1C(F)(F)F ZINC000020285801 183309136 /nfs/dbraw/zinc/30/91/36/183309136.db2.gz ICMKLFRYFIAQOU-UHFFFAOYSA-N 0 0 230.145 2.461 10 0 BEAERN O=C1N=NC(c2nc3ccccc3s2)O1 ZINC000028245519 183309594 /nfs/dbraw/zinc/30/95/94/183309594.db2.gz AXGOAKFPGWSBSI-UHFFFAOYSA-N 0 0 219.225 2.052 10 0 BEAERN O=c1[nH]ncc2cn(-c3ccccc3Cl)nc21 ZINC000020272342 183310691 /nfs/dbraw/zinc/31/06/91/183310691.db2.gz RAXPYPVFFLSZPL-UHFFFAOYSA-N 0 0 246.657 2.175 10 0 BEAERN c1cc(CNc2ccnc(C3CC3)n2)ccn1 ZINC000128989508 183354761 /nfs/dbraw/zinc/35/47/61/183354761.db2.gz FJPXTQWAZZJFTC-UHFFFAOYSA-N 0 0 226.283 2.361 10 0 BEAERN c1n[nH]cc1NCc1cccc2c1OCCCO2 ZINC000036168486 183355303 /nfs/dbraw/zinc/35/53/03/183355303.db2.gz NLYPRRWDQSTMSX-UHFFFAOYSA-N 0 0 245.282 2.183 10 0 BEAERN CCCNC(=O)Nc1c(N)ccc(C)c1C ZINC000036744010 169239103 /nfs/dbraw/zinc/23/91/03/169239103.db2.gz JBKUTHGZIFVJHT-UHFFFAOYSA-N 0 0 221.304 2.417 10 0 BEAERN CCCNC(=O)[C@@H](C)Oc1ccc(NC)cc1 ZINC000038057186 169242393 /nfs/dbraw/zinc/24/23/93/169242393.db2.gz YOUMFRREIKAZBI-SNVBAGLBSA-N 0 0 236.315 2.022 10 0 BEAERN CCCNC(=O)[C@@H](C)Nc1ccccc1 ZINC000020312336 169242489 /nfs/dbraw/zinc/24/24/89/169242489.db2.gz HNSAKKPQZCPNBW-SNVBAGLBSA-N 0 0 206.289 2.013 10 0 BEAERN CCCNC(=O)[C@H](C)n1c(C)ccc1C ZINC000049224438 169247138 /nfs/dbraw/zinc/24/71/38/169247138.db2.gz UVNIKHGWECNGNM-NSHDSACASA-N 0 0 208.305 2.192 10 0 BEAERN CCCNC(=O)[C@H](C)Nc1cc(F)cc(F)c1 ZINC000020362092 169247644 /nfs/dbraw/zinc/24/76/44/169247644.db2.gz ATEDLZADHJAYAY-QMMMGPOBSA-N 0 0 242.269 2.291 10 0 BEAERN c1ccc(-c2nnc3ccncc3n2)cc1 ZINC000026499608 183384856 /nfs/dbraw/zinc/38/48/56/183384856.db2.gz SNAMXDPWMHPIQG-UHFFFAOYSA-N 0 0 208.224 2.087 10 0 BEAERN CCC[NH2+][C@@]1(CO)CCSc2ccccc21 ZINC000038123243 169284128 /nfs/dbraw/zinc/28/41/28/169284128.db2.gz SGEWKCFUBUTVEW-CYBMUJFWSA-N 0 0 237.368 2.370 10 0 BEAERN c1cnn(Cc2cnn(-c3ccccc3)c2)c1 ZINC000104298126 183386903 /nfs/dbraw/zinc/38/69/03/183386903.db2.gz JCCKFKJFFIMLTJ-UHFFFAOYSA-N 0 0 224.267 2.117 10 0 BEAERN CCCN[C@H](c1cncc(F)c1)c1cnccn1 ZINC000049576448 169290604 /nfs/dbraw/zinc/29/06/04/169290604.db2.gz LSXJDXUGUJUPQO-CYBMUJFWSA-N 0 0 246.289 2.100 10 0 BEAERN CCCOC(=O)c1cc(N)cc(C)c1C ZINC000062349593 169300776 /nfs/dbraw/zinc/30/07/76/169300776.db2.gz LUQCDYZINKXAKP-UHFFFAOYSA-N 0 0 207.273 2.452 10 0 BEAERN CCCOC(=O)c1ccc(F)c(F)c1N ZINC000040230886 169300967 /nfs/dbraw/zinc/30/09/67/169300967.db2.gz UHHRIIBIYOKOPQ-UHFFFAOYSA-N 0 0 215.199 2.114 10 0 BEAERN CCCOC(=O)c1ccccc1OC(C)=O ZINC000003588586 169301591 /nfs/dbraw/zinc/30/15/91/169301591.db2.gz NOUWRSCMGQNHEH-UHFFFAOYSA-N 0 0 222.240 2.179 10 0 BEAERN c1c(Nc2ccccn2)nc2ccccn12 ZINC000089200948 183419041 /nfs/dbraw/zinc/41/90/41/183419041.db2.gz GZBTWXOJMKMFFO-UHFFFAOYSA-N 0 0 210.240 2.473 10 0 BEAERN c1ccc(Nc2nnnn2-c2ccccc2)cc1 ZINC000001577948 183419550 /nfs/dbraw/zinc/41/95/50/183419550.db2.gz FJTDLZAMFPCHCY-UHFFFAOYSA-N 0 0 237.266 2.406 10 0 BEAERN CCCOc1ccc(C(=O)c2nccn2C)cc1 ZINC000082551339 169317353 /nfs/dbraw/zinc/31/73/53/169317353.db2.gz IZQMYODMDFWBPJ-UHFFFAOYSA-N 0 0 244.294 2.440 10 0 BEAERN CCCOCCC(=O)Nc1ccc(N)cc1C ZINC000037024672 169308729 /nfs/dbraw/zinc/30/87/29/169308729.db2.gz NBLNCNWPRMXOBH-UHFFFAOYSA-N 0 0 236.315 2.332 10 0 BEAERN CCCOc1ccc(C(N)=S)cc1OC ZINC000005067469 169317701 /nfs/dbraw/zinc/31/77/01/169317701.db2.gz KQCFPAVPXYUORD-UHFFFAOYSA-N 0 0 225.313 2.118 10 0 BEAERN CCCNc1cc(CC)nc([C@@H]2CCOC2)n1 ZINC000051691629 169293436 /nfs/dbraw/zinc/29/34/36/169293436.db2.gz GGYWPFOUHDGXMR-SNVBAGLBSA-N 0 0 235.331 2.365 10 0 BEAERN CCCNc1ccc(-n2nccn2)cc1 ZINC000037128385 169294266 /nfs/dbraw/zinc/29/42/66/169294266.db2.gz IYDFQURTSDUDAO-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1ccc(-n2cccn2)nc1 ZINC000037019932 169294311 /nfs/dbraw/zinc/29/43/11/169294311.db2.gz NMFDWNDRNYNDEM-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1cccc(C(=O)NC2CCC2)n1 ZINC000052215410 169294534 /nfs/dbraw/zinc/29/45/34/169294534.db2.gz HHHWDOFKCMPQAH-UHFFFAOYSA-N 0 0 233.315 2.186 10 0 BEAERN CCCNc1nc(Cc2cccc(OC)c2)no1 ZINC000053750401 169295437 /nfs/dbraw/zinc/29/54/37/169295437.db2.gz WZLSQIWJSSIULX-UHFFFAOYSA-N 0 0 247.298 2.491 10 0 BEAERN CCCNc1ccnc(C(=O)NCC(C)C)c1 ZINC000050725560 169295757 /nfs/dbraw/zinc/29/57/57/169295757.db2.gz OZNRABRBVZUPBU-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN CCCNc1nc2ccccc2c(=O)o1 ZINC000027526304 169296883 /nfs/dbraw/zinc/29/68/83/169296883.db2.gz QTUULNVXRXRNIL-UHFFFAOYSA-N 0 0 204.229 2.010 10 0 BEAERN CCCSN1C(=O)c2ccccc2C1=O ZINC000002007416 169340804 /nfs/dbraw/zinc/34/08/04/169340804.db2.gz AZFZZWPVIHWVOE-UHFFFAOYSA-N 0 0 221.281 2.341 10 0 BEAERN CCCSc1ccc2c(c1)NC(=O)[C@H]2N ZINC000036195035 169340980 /nfs/dbraw/zinc/34/09/80/169340980.db2.gz LDMVOHGTSWPMDW-JTQLQIEISA-N 0 0 222.313 2.141 10 0 BEAERN c1csc(-n2cnc3ccccc32)n1 ZINC000103206599 183456044 /nfs/dbraw/zinc/45/60/44/183456044.db2.gz ZVDHADHQPMXOIE-UHFFFAOYSA-N 0 0 201.254 2.482 10 0 BEAERN CCCOc1ccc([C@@H](N)c2ncccn2)cc1 ZINC000055263615 169321654 /nfs/dbraw/zinc/32/16/54/169321654.db2.gz LYMHNINPXUDOPJ-CYBMUJFWSA-N 0 0 243.310 2.314 10 0 BEAERN c1ccc2c(c1)CCCc1c-2nc2n1CCNC2 ZINC000062605527 183443452 /nfs/dbraw/zinc/44/34/52/183443452.db2.gz PBOBNPIWYAUEJR-UHFFFAOYSA-N 0 0 239.322 2.142 10 0 BEAERN CCCS(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000015836377 169331056 /nfs/dbraw/zinc/33/10/56/169331056.db2.gz RRXKZFDFJWZPRZ-SNVBAGLBSA-N 0 0 243.328 2.156 10 0 BEAERN c1ccc2c(c1)OCC[C@H]2Nc1cnccn1 ZINC000047915298 183451803 /nfs/dbraw/zinc/45/18/03/183451803.db2.gz ATLDPSWLCYVVRU-LLVKDONJSA-N 0 0 227.267 2.412 10 0 BEAERN CCCSCC(=O)Nc1cccc(N)c1 ZINC000019870059 169338843 /nfs/dbraw/zinc/33/88/43/169338843.db2.gz ZYWMWMKCKQVCEI-UHFFFAOYSA-N 0 0 224.329 2.351 10 0 BEAERN CCC[C@@H](C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116123579 169349445 /nfs/dbraw/zinc/34/94/45/169349445.db2.gz NCCZZRUGSNQXKC-VXGBXAGGSA-N 0 0 249.358 2.172 10 0 BEAERN CCC[C@@H](C)CNc1ccc2c(c1)C(=O)NC2=O ZINC000020093072 169360612 /nfs/dbraw/zinc/36/06/12/169360612.db2.gz AZPKALQSUKZTQF-SECBINFHSA-N 0 0 246.310 2.418 10 0 BEAERN CCC[C@@H](C)n1nnnc1-c1ccc(N)c(F)c1 ZINC000054413972 169375232 /nfs/dbraw/zinc/37/52/32/169375232.db2.gz ZZKWRHYAARTZPL-MRVPVSSYSA-N 0 0 249.293 2.423 10 0 BEAERN CCC[C@@H](O)C(F)(F)C(=O)c1ccco1 ZINC000039055756 169404158 /nfs/dbraw/zinc/40/41/58/169404158.db2.gz SELYKQYQIQUNRI-MRVPVSSYSA-N 0 0 218.199 2.259 10 0 BEAERN c1csc(-c2nc3ncc4c(n3n2)CCC4)c1 ZINC000072451449 183514515 /nfs/dbraw/zinc/51/45/15/183514515.db2.gz VTMMBJCRSMPAOO-UHFFFAOYSA-N 0 0 242.307 2.342 10 0 BEAERN c1coc([C@@H]2CCCN2Cc2csnn2)c1 ZINC000124562735 183511058 /nfs/dbraw/zinc/51/10/58/183511058.db2.gz BLPDQUGAQURCBW-JTQLQIEISA-N 0 0 235.312 2.468 10 0 BEAERN CCC[C@@]1(CC)OC[C@H](COCC)O1 ZINC000039100806 169460857 /nfs/dbraw/zinc/46/08/57/169460857.db2.gz QFQTWMDLUPLAFH-QWRGUYRKSA-N 0 0 202.294 2.345 10 0 BEAERN CCC[S@@](=O)c1nc2ccc(N)cc2s1 ZINC000042194900 169559880 /nfs/dbraw/zinc/55/98/80/169559880.db2.gz OLKSKUCOORSQLC-HNNXBMFYSA-N 0 0 240.353 2.396 10 0 BEAERN CCCc1nc(C(=O)OC)c(Br)o1 ZINC000039121853 169586001 /nfs/dbraw/zinc/58/60/01/169586001.db2.gz VNYCBLTUSZLPJL-UHFFFAOYSA-N 0 0 248.076 2.176 10 0 BEAERN CCCc1ncc(C(=O)N[C@H]2C[C@H]2C)s1 ZINC000173477342 169595524 /nfs/dbraw/zinc/59/55/24/169595524.db2.gz MXLBKPYJNXFYSH-SFYZADRCSA-N 0 0 224.329 2.234 10 0 BEAERN CCCc1nnc(NC[C@@H]2CCC[C@@H]2O)s1 ZINC000301647936 169598290 /nfs/dbraw/zinc/59/82/90/169598290.db2.gz FDGFOVBWLUGPDW-IUCAKERBSA-N 0 0 241.360 2.064 10 0 BEAERN CCCc1nnc(SCC(=O)C2CC2)o1 ZINC000122239049 169599467 /nfs/dbraw/zinc/59/94/67/169599467.db2.gz KCVJQMKJGDKRAT-UHFFFAOYSA-N 0 0 226.301 2.093 10 0 BEAERN CCCc1nnc(N[C@@H]2CCO[C@H]2C)s1 ZINC000301901469 169599303 /nfs/dbraw/zinc/59/93/03/169599303.db2.gz NHVWBBFHVKIBNE-JGVFFNPUSA-N 0 0 227.333 2.080 10 0 BEAERN CCCc1noc(CCC(=O)OC(C)(C)C)n1 ZINC000094755294 169601850 /nfs/dbraw/zinc/60/18/50/169601850.db2.gz JWGUDAHQORMWFX-UHFFFAOYSA-N 0 0 240.303 2.296 10 0 BEAERN CCCc1nsc(NC[C@@H](O)C(C)(C)C)n1 ZINC000309658903 169606495 /nfs/dbraw/zinc/60/64/95/169606495.db2.gz QRXPJFANGNQVFR-MRVPVSSYSA-N 0 0 243.376 2.310 10 0 BEAERN CCCn1c(C(C)C)c(N)c(=O)n1C(C)C ZINC000040933562 169611471 /nfs/dbraw/zinc/61/14/71/169611471.db2.gz OCADHUJDCMBUEZ-UHFFFAOYSA-N 0 0 225.336 2.346 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)NCCCCO)CC(C)(C)C1 ZINC000194978362 259630771 /nfs/dbraw/zinc/63/07/71/259630771.db2.gz MYGAQZVIQJHZIF-VXGBXAGGSA-N 0 0 241.375 2.338 10 0 BEAERN CC(C)OC(=O)NCCSC(F)(F)F ZINC000227839517 259634089 /nfs/dbraw/zinc/63/40/89/259634089.db2.gz OCWBYPNAJBQXFV-UHFFFAOYSA-N 0 0 231.239 2.374 10 0 BEAERN O=C([O-])/C=C/CCCc1cccc2c[nH+]cn21 ZINC000029410731 383880914 /nfs/dbraw/zinc/88/09/14/383880914.db2.gz FNCTXALAJPAHEL-FPYGCLRLSA-N 0 0 230.267 2.298 10 0 BEAERN C[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C)c1ccccc1 ZINC000295889488 383881255 /nfs/dbraw/zinc/88/12/55/383881255.db2.gz DXAKAGWAWXSATD-SGMGOOAPSA-N 0 0 247.338 2.162 10 0 BEAERN CCCc1noc(-c2cc(OC)ccc2O)n1 ZINC000111688042 383877350 /nfs/dbraw/zinc/87/73/50/383877350.db2.gz VTZYBSKVHHMYTL-UHFFFAOYSA-N 0 0 234.255 2.403 10 0 BEAERN Nc1cc(Cc2ccsc2)nc(C2CC2)n1 ZINC000575622628 383877995 /nfs/dbraw/zinc/87/79/95/383877995.db2.gz YWQDLVQYLFCVNK-UHFFFAOYSA-N 0 0 231.324 2.419 10 0 BEAERN Nc1ccccc1N1CCC[C@@H](CF)C1 ZINC000409434112 383829157 /nfs/dbraw/zinc/82/91/57/383829157.db2.gz ZZZLLGJCRCMONQ-JTQLQIEISA-N 0 0 208.280 2.455 10 0 BEAERN CN(C)c1cnc(-c2ccccc2Cl)[nH]c1=O ZINC000067172080 383913340 /nfs/dbraw/zinc/91/33/40/383913340.db2.gz ZTQQAGMXTXNVPW-UHFFFAOYSA-N 0 0 249.701 2.156 10 0 BEAERN Cc1csc(CN2[C@@H](C)COC[C@@H]2C)n1 ZINC000088601508 383914442 /nfs/dbraw/zinc/91/44/42/383914442.db2.gz WVZCOCDEICJDJH-UWVGGRQHSA-N 0 0 226.345 2.061 10 0 BEAERN Cc1nc(CN2[C@@H](C)COC[C@@H]2C)sc1C ZINC000088601512 383915317 /nfs/dbraw/zinc/91/53/17/383915317.db2.gz ZVSYHOBKWBCOOM-IUCAKERBSA-N 0 0 240.372 2.369 10 0 BEAERN Cc1ccc2ccc(-c3nsc(N)n3)nc2n1 ZINC000067173736 383916064 /nfs/dbraw/zinc/91/60/64/383916064.db2.gz XBNGTZNKBIGLHB-UHFFFAOYSA-N 0 0 243.295 2.039 10 0 BEAERN C[C@H]([NH2+]Cc1cncnc1)c1ccccc1 ZINC000054766833 383920206 /nfs/dbraw/zinc/92/02/06/383920206.db2.gz XAWCWZDVBYHLHW-NSHDSACASA-N 0 0 213.284 2.327 10 0 BEAERN C[C@@H]([NH2+]Cc1cncnc1)c1ccccc1 ZINC000054766834 383920680 /nfs/dbraw/zinc/92/06/80/383920680.db2.gz XAWCWZDVBYHLHW-LLVKDONJSA-N 0 0 213.284 2.327 10 0 BEAERN O=C1c2ccccc2CC[C@@H]1n1cccn1 ZINC000027331854 383924373 /nfs/dbraw/zinc/92/43/73/383924373.db2.gz FRZYKJIDBSWXTM-LBPRGKRZSA-N 0 0 212.252 2.253 10 0 BEAERN Fc1cc(Br)cc(OC[C@H]2CO2)c1 ZINC000088138614 383882237 /nfs/dbraw/zinc/88/22/37/383882237.db2.gz IAYLDVSLWMFGMD-VIFPVBQESA-N 0 0 247.063 2.366 10 0 BEAERN c1ncc(C[NH2+]CCC2CCCC2)cn1 ZINC000054767906 383978391 /nfs/dbraw/zinc/97/83/91/383978391.db2.gz KCCOIWSQIIJZDW-UHFFFAOYSA-N 0 0 205.305 2.147 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2cc[nH]c2)o1 ZINC000068277318 383982272 /nfs/dbraw/zinc/98/22/72/383982272.db2.gz WYGRILYCEFDNQG-VIFPVBQESA-N 0 0 218.256 2.407 10 0 BEAERN O=C(c1ccncc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000336482533 383982842 /nfs/dbraw/zinc/98/28/42/383982842.db2.gz BHFPHAPTXZIYBH-LDYMZIIASA-N 0 0 236.702 2.360 10 0 BEAERN COc1cc(C#N)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575649686 383983798 /nfs/dbraw/zinc/98/37/98/383983798.db2.gz OUXDQEBLHIYAIA-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN COc1cc(C(N)=O)c2cccc(C)c2c1 ZINC000014490588 383995526 /nfs/dbraw/zinc/99/55/26/383995526.db2.gz IHDCPWKTOXBFID-UHFFFAOYSA-N 0 0 215.252 2.256 10 0 in-vitro BEAERN FC(F)(F)[C@]1(c2ccccc2)CNCCO1 ZINC000068576356 383999588 /nfs/dbraw/zinc/99/95/88/383999588.db2.gz KXTYEXKCDGYDSI-SNVBAGLBSA-N 0 0 231.217 2.064 10 0 BEAERN c1nc2cc(-n3cnc4cccnc43)ccc2[nH]1 ZINC000089195170 383941011 /nfs/dbraw/zinc/94/10/11/383941011.db2.gz WPVLYWDBXQKOLW-UHFFFAOYSA-N 0 0 235.250 2.297 10 0 BEAERN COC(=O)c1ccc(Cl)c2n[nH]cc21 ZINC000089196319 383941697 /nfs/dbraw/zinc/94/16/97/383941697.db2.gz IYSWBOKECYGRJE-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN Cc1nc(-c2ccccc2)c2c(N)nccn12 ZINC000089195592 383941871 /nfs/dbraw/zinc/94/18/71/383941871.db2.gz ACWHIHHOVGBJNA-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN CCCCC(=O)Nc1ccnc2[nH]cnc21 ZINC000089202981 383943686 /nfs/dbraw/zinc/94/36/86/383943686.db2.gz XVVGMQGVMOYOLJ-UHFFFAOYSA-N 0 0 218.260 2.087 10 0 BEAERN Cc1cc(Br)cc2c1C(=O)NC2 ZINC000089211250 383946309 /nfs/dbraw/zinc/94/63/09/383946309.db2.gz IOHREJSRVLYMMJ-UHFFFAOYSA-N 0 0 226.073 2.001 10 0 BEAERN CCN(CC)C(=O)COc1cccc2cc[nH]c21 ZINC000089209380 383946316 /nfs/dbraw/zinc/94/63/16/383946316.db2.gz BNFIXMWINRMLHO-UHFFFAOYSA-N 0 0 246.310 2.415 10 0 BEAERN FC(F)(F)Oc1cnc2cc[nH]c2c1 ZINC000089221722 383950220 /nfs/dbraw/zinc/95/02/20/383950220.db2.gz SAZQBJFAXGVSJF-UHFFFAOYSA-N 0 0 202.135 2.462 10 0 BEAERN CC(=O)OCc1ccc2sc(=S)nc-2[nH]1 ZINC000089229688 383952387 /nfs/dbraw/zinc/95/23/87/383952387.db2.gz CTUNZPWWGUAYOL-UHFFFAOYSA-N 0 0 240.309 2.043 10 0 BEAERN COC(=O)c1nc2c(cc(C)nc2Cl)s1 ZINC000089229258 383952848 /nfs/dbraw/zinc/95/28/48/383952848.db2.gz DNBFDCYQJWTGFX-UHFFFAOYSA-N 0 0 242.687 2.440 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089410343 383964005 /nfs/dbraw/zinc/96/40/05/383964005.db2.gz MXIRHRDQGPRJSP-SNVBAGLBSA-N 0 0 249.310 2.419 10 0 BEAERN Nc1cc(-c2ccccc2)c(Cl)nn1 ZINC000114026385 384020136 /nfs/dbraw/zinc/02/01/36/384020136.db2.gz QKOSEXWSPQSXFS-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CC[C@H](NC(=O)N[C@H]1CCO[C@H](C)C1)C(C)C ZINC000408076457 134386928 /nfs/dbraw/zinc/38/69/28/134386928.db2.gz JEAKTIWWSGLVQX-WOPDTQHZSA-N 0 0 242.363 2.288 10 0 BEAERN CCc1cc(C#N)c([N+](=O)[O-])c(OC)c1 ZINC000575650237 384025954 /nfs/dbraw/zinc/02/59/54/384025954.db2.gz XPCNSFPCBVJSHG-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1nsnc1Cl ZINC000050376718 384009494 /nfs/dbraw/zinc/00/94/94/384009494.db2.gz NZDWZIMOSOKOKS-NTSWFWBYSA-N 0 0 233.724 2.171 10 0 BEAERN N#CCc1cc(C(F)(F)F)c(C#N)cc1C=O ZINC000575649987 384011018 /nfs/dbraw/zinc/01/10/18/384011018.db2.gz YBLPLEPCZFHUEX-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 ZINC000090397591 384045084 /nfs/dbraw/zinc/04/50/84/384045084.db2.gz GDIHEVJUQKPSNC-NSHDSACASA-N 0 0 246.310 2.046 10 0 BEAERN Cn1ccnc1C(=O)c1nccc2ccccc21 ZINC000069473328 384048294 /nfs/dbraw/zinc/04/82/94/384048294.db2.gz MCLYURKTWYRKJK-UHFFFAOYSA-N 0 0 237.262 2.199 10 0 BEAERN CCOc1cc(C#N)c(C)cc1C(C)=O ZINC000575650837 384051048 /nfs/dbraw/zinc/05/10/48/384051048.db2.gz YHMGYDGPLQFOME-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000114155177 384027552 /nfs/dbraw/zinc/02/75/52/384027552.db2.gz TVSPAWYNFGUXPU-UHFFFAOYSA-N 0 0 242.193 2.248 10 0 BEAERN COc1cc(C#N)c(C(F)(F)F)c(CO)c1 ZINC000575645641 384091901 /nfs/dbraw/zinc/09/19/01/384091901.db2.gz DCSYWCGOVAHFDR-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCOC(=O)Cc1c(OC)ccc(C)c1OC ZINC000259903375 384060973 /nfs/dbraw/zinc/06/09/73/384060973.db2.gz FFJTVFMFSQHWOL-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN CCOc1ccc([N+](=O)[O-])c(OCC)c1C#N ZINC000575651163 384071212 /nfs/dbraw/zinc/07/12/12/384071212.db2.gz QTFRFABQBJNDEY-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CCN(C(=O)[C@@H]1CCOC1)[C@@H](C)c1cccnc1 ZINC000115227150 384072349 /nfs/dbraw/zinc/07/23/49/384072349.db2.gz OPRSTPNMLXKPSD-WCQYABFASA-N 0 0 248.326 2.028 10 0 BEAERN CCN(C(=O)[C@H]1CCCO1)[C@@H](C)c1cccnc1 ZINC000115230222 384072365 /nfs/dbraw/zinc/07/23/65/384072365.db2.gz VOXJSJBVOFANPV-WCQYABFASA-N 0 0 248.326 2.170 10 0 BEAERN COc1cc(C#N)c(CO)c(C(F)(F)F)c1 ZINC000575651060 384073698 /nfs/dbraw/zinc/07/36/98/384073698.db2.gz ZOLLLRPRLCSCQN-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN Cc1c([C@H](C)O)cnn1-c1ccc(F)cc1 ZINC000072415137 384098841 /nfs/dbraw/zinc/09/88/41/384098841.db2.gz URGXYJGLBSYJLV-VIFPVBQESA-N 0 0 220.247 2.373 10 0 BEAERN CCC[C@H](C)OC(=O)c1cnccc1N ZINC000039087048 384100760 /nfs/dbraw/zinc/10/07/60/384100760.db2.gz OYHOFJFZOUXYIJ-QMMMGPOBSA-N 0 0 208.261 2.009 10 0 BEAERN CC(C)(O)[C@@H]1CCc2ccccc2C1=O ZINC000039123692 384106741 /nfs/dbraw/zinc/10/67/41/384106741.db2.gz NLYBLHMOMZBPBB-LLVKDONJSA-N 0 0 204.269 2.203 10 0 BEAERN Cn1ncc2c1C[C@@H](c1cccs1)C[C@H]2O ZINC000072415844 384107413 /nfs/dbraw/zinc/10/74/13/384107413.db2.gz CKNVSURUJLVAMN-LDYMZIIASA-N 0 0 234.324 2.245 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(Br)no2)O1 ZINC000156571503 384109188 /nfs/dbraw/zinc/10/91/88/384109188.db2.gz JACCFKMZANURHU-WHFBIAKZSA-N 0 0 233.065 2.072 10 0 BEAERN Nc1cc2c(cc1F)O[C@H](F)C(F)(F)O2 ZINC000091252493 384112923 /nfs/dbraw/zinc/11/29/23/384112923.db2.gz WGPHOAZZFWXVLH-ZETCQYMHSA-N 0 0 223.125 2.068 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)nc1 ZINC000336559857 384136741 /nfs/dbraw/zinc/13/67/41/384136741.db2.gz VXKMXXOREHALJV-GHMZBOCLSA-N 0 0 231.299 2.406 10 0 BEAERN Cc1ccc(CCNC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000116428849 384138075 /nfs/dbraw/zinc/13/80/75/384138075.db2.gz ZNMXTABVMQBRBL-DGCLKSJQSA-N 0 0 232.327 2.245 10 0 BEAERN CC(C)c1ncc(Br)cc1C(N)=O ZINC000091351908 384121059 /nfs/dbraw/zinc/12/10/59/384121059.db2.gz BJDDMLXNPGIMGN-UHFFFAOYSA-N 0 0 243.104 2.066 10 0 BEAERN Cc1ccc(Nc2nc(N)n[nH]2)c(Cl)c1 ZINC000072416787 384122704 /nfs/dbraw/zinc/12/27/04/384122704.db2.gz ZXNCGHWRVWLONI-UHFFFAOYSA-N 0 0 223.667 2.092 10 0 BEAERN C[C@H](NCc1ccncc1)c1nccs1 ZINC000070621426 384124061 /nfs/dbraw/zinc/12/40/61/384124061.db2.gz ZGKCTZUFSUFCMU-VIFPVBQESA-N 0 0 219.313 2.389 10 0 BEAERN Cc1nc(-c2nc(Cl)no2)cs1 ZINC000156598364 384128536 /nfs/dbraw/zinc/12/85/36/384128536.db2.gz ACTSIMFHNHEOMP-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN C[C@@H](NCC(F)(F)F)c1nccs1 ZINC000070634440 384128599 /nfs/dbraw/zinc/12/85/99/384128599.db2.gz OWURQHXQKIDHHS-RXMQYKEDSA-N 0 0 210.224 2.356 10 0 BEAERN CCOc1nc(N)c(C(=O)c2ccccc2)s1 ZINC000082311811 384152973 /nfs/dbraw/zinc/15/29/73/384152973.db2.gz ZJPFGPMZTWJURL-UHFFFAOYSA-N 0 0 248.307 2.355 10 0 BEAERN Cn1ccc(CNc2cc(F)cc(F)c2F)n1 ZINC000211656142 384157446 /nfs/dbraw/zinc/15/74/46/384157446.db2.gz JSRXDGUUROWNPP-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN COC(=O)[C@H](N[C@@H](C)c1cccs1)C1CC1 ZINC000227767524 134393217 /nfs/dbraw/zinc/39/32/17/134393217.db2.gz JDXROVMABFNWOC-GZMMTYOYSA-N 0 0 239.340 2.350 10 0 BEAERN O=C(Cc1nccs1)C(F)(F)Cl ZINC000156632316 384160403 /nfs/dbraw/zinc/16/04/03/384160403.db2.gz LEVXXTDEBMKRPZ-UHFFFAOYSA-N 0 0 211.620 2.086 10 0 BEAERN CN[C@@H](c1cnccc1C)C(F)(F)F ZINC000135537826 384170953 /nfs/dbraw/zinc/17/09/53/384170953.db2.gz DOYJMAPTTPQMKH-QMMMGPOBSA-N 0 0 204.195 2.213 10 0 BEAERN CSc1cc(N[C@@H](C)C2CC2)ncn1 ZINC000235138407 384205675 /nfs/dbraw/zinc/20/56/75/384205675.db2.gz KPYDFKJYHVDTMW-ZETCQYMHSA-N 0 0 209.318 2.409 10 0 BEAERN N#CCc1c(C#N)cc(C=O)cc1C(F)(F)F ZINC000575645830 384187747 /nfs/dbraw/zinc/18/77/47/384187747.db2.gz GVBFVISYRZUEFN-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN O=C(c1ccc(Cl)cn1)N1C[C@H]2CCC[C@@H]21 ZINC000336590308 384189715 /nfs/dbraw/zinc/18/97/15/384189715.db2.gz JTNAFOZKBVMJHL-KCJUWKMLSA-N 0 0 236.702 2.360 10 0 BEAERN COC(=O)[C@@H]1CCC=CN1C(=O)OC(C)(C)C ZINC000071973756 384191397 /nfs/dbraw/zinc/19/13/97/384191397.db2.gz RTCPAVHGPYCFNT-VIFPVBQESA-N 0 0 241.287 2.073 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CSc2ccccc21 ZINC000118329261 384197100 /nfs/dbraw/zinc/19/71/00/384197100.db2.gz VUBOLNLVMSZRKP-FBIMIBRVSA-N 0 0 233.336 2.401 10 0 BEAERN Fc1cccc(-n2nccc2-c2ncccn2)c1 ZINC000072190523 384198210 /nfs/dbraw/zinc/19/82/10/384198210.db2.gz LYFMLWHYWOQJAF-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN Cc1nnc(N(C)C2CCCCCC2)n1C ZINC000336496504 384232184 /nfs/dbraw/zinc/23/21/84/384232184.db2.gz FRXBJFLUISJKDP-UHFFFAOYSA-N 0 0 222.336 2.283 10 0 BEAERN CC[C@H](C)c1noc(C[C@@H](O)C(C)C)n1 ZINC000082563095 384237386 /nfs/dbraw/zinc/23/73/86/384237386.db2.gz JAOMVARMINWRES-DTWKUNHWSA-N 0 0 212.293 2.143 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C2(F)F ZINC000074942452 384315128 /nfs/dbraw/zinc/31/51/28/384315128.db2.gz RYCLZPJKWUKFKM-RQJHMYQMSA-N 0 0 219.231 2.261 10 0 BEAERN C[C@@H](COCc1ccccc1)NC(=O)NC1CC1 ZINC000173984294 384292198 /nfs/dbraw/zinc/29/21/98/384292198.db2.gz BOFOUUFAHHEAHQ-NSHDSACASA-N 0 0 248.326 2.053 10 0 BEAERN Cc1cscc1NC1CCN(C(N)=O)CC1 ZINC000133496600 384295024 /nfs/dbraw/zinc/29/50/24/384295024.db2.gz FNGNLLGHYLJRFV-UHFFFAOYSA-N 0 0 239.344 2.012 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000134268691 384343351 /nfs/dbraw/zinc/34/33/51/384343351.db2.gz UNYHHRDKHQIESE-CABZTGNLSA-N 0 0 244.294 2.075 10 0 BEAERN CCN(C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000134259619 384343774 /nfs/dbraw/zinc/34/37/74/384343774.db2.gz SFKBYRQCPXEKOM-ZDUSSCGKSA-N 0 0 232.327 2.205 10 0 BEAERN Cn1nc(C(F)(F)F)cc1NC1CC1 ZINC000095075667 384351352 /nfs/dbraw/zinc/35/13/52/384351352.db2.gz VDPWORPMAYIBTC-UHFFFAOYSA-N 0 0 205.183 2.013 10 0 BEAERN COCc1ccccc1CNC(=O)N[C@H]1C[C@H]1C ZINC000075982003 384352217 /nfs/dbraw/zinc/35/22/17/384352217.db2.gz ZEFTUJAFIHHDLW-MFKMUULPSA-N 0 0 248.326 2.041 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccnc(Cl)c1 ZINC000134402471 384354410 /nfs/dbraw/zinc/35/44/10/384354410.db2.gz DOQIOVLUKJLRGU-APPZFPTMSA-N 0 0 212.680 2.324 10 0 BEAERN Brc1nc(CNC2CC2)cs1 ZINC000095079493 384355188 /nfs/dbraw/zinc/35/51/88/384355188.db2.gz ODCQCGCBDRYYTI-UHFFFAOYSA-N 0 0 233.134 2.158 10 0 BEAERN C[C@@H](C(=O)NCC1(C)COC1)c1cccs1 ZINC000120565223 384359687 /nfs/dbraw/zinc/35/96/87/384359687.db2.gz XZRSJFVNVLSYOD-SECBINFHSA-N 0 0 239.340 2.004 10 0 BEAERN COc1nc(C)c(C(=O)OC(C)(C)C)c(C)n1 ZINC000095093349 384362282 /nfs/dbraw/zinc/36/22/82/384362282.db2.gz BSODQKRANLDPQL-UHFFFAOYSA-N 0 0 238.287 2.057 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccncc1Cl ZINC000134572163 384367492 /nfs/dbraw/zinc/36/74/92/384367492.db2.gz HBRSWYDQFCISQT-CBAPKCEASA-N 0 0 212.680 2.324 10 0 BEAERN Nc1c(-c2ccccc2F)nc2scnn12 ZINC000095221136 384369505 /nfs/dbraw/zinc/36/95/05/384369505.db2.gz ZHRSHUYSNWLUJS-UHFFFAOYSA-N 0 0 234.259 2.179 10 0 BEAERN CCOc1ccc(F)c(OC(F)F)c1CO ZINC000575656814 384371257 /nfs/dbraw/zinc/37/12/57/384371257.db2.gz SLHQUQPDZYUOBR-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Cc1ccc(OCC(N)=O)c(-c2ccoc2)c1 ZINC000032597658 384325528 /nfs/dbraw/zinc/32/55/28/384325528.db2.gz FVXIOCWBTLZLOX-UHFFFAOYSA-N 0 0 231.251 2.119 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCOCc1ccccc1 ZINC000075508246 384327752 /nfs/dbraw/zinc/32/77/52/384327752.db2.gz NBXPCDIMVDHGLI-YPMHNXCESA-N 0 0 233.311 2.118 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000075518986 384328678 /nfs/dbraw/zinc/32/86/78/384328678.db2.gz VFVDRXZPBKCWTL-HQJQHLMTSA-N 0 0 232.258 2.445 10 0 BEAERN COc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1C ZINC000075524500 384329515 /nfs/dbraw/zinc/32/95/15/384329515.db2.gz WZBYLSRJVQXQLK-ONGXEEELSA-N 0 0 219.284 2.142 10 0 BEAERN Cc1cc(C(=O)NCC2(C)CCC2)cc(=O)[nH]1 ZINC000134084668 384331739 /nfs/dbraw/zinc/33/17/39/384331739.db2.gz GTWVYAFLBSYXIY-UHFFFAOYSA-N 0 0 234.299 2.016 10 0 BEAERN CCOc1cc(CO)c(OC(F)F)cc1C ZINC000575658286 384391717 /nfs/dbraw/zinc/39/17/17/384391717.db2.gz RVPNINHVFDPAQG-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1cc(CO)cc(OC)c1OC(F)F ZINC000575658234 384392022 /nfs/dbraw/zinc/39/20/22/384392022.db2.gz RATCUKCKNZJKFX-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN COC(=O)c1cnc2cc[nH]c(Cl)c1-2 ZINC000095830115 384399565 /nfs/dbraw/zinc/39/95/65/384399565.db2.gz WSFGIPWLMLJYJT-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN O=Cc1cccc(COc2ccccc2)n1 ZINC000095830171 384399880 /nfs/dbraw/zinc/39/98/80/384399880.db2.gz NWERENMQBQCABZ-UHFFFAOYSA-N 0 0 213.236 2.473 10 0 BEAERN CC(C)(C)OC[C@@H]1CCC[C@H](NC(N)=O)C1 ZINC000095829887 384400124 /nfs/dbraw/zinc/40/01/24/384400124.db2.gz OZHJLDAAMKVCCJ-ZJUUUORDSA-N 0 0 228.336 2.029 10 0 BEAERN Clc1nccn2nc([C@H]3CCCO3)cc12 ZINC000095883533 384404552 /nfs/dbraw/zinc/40/45/52/384404552.db2.gz KVARETAJCIHWGX-SECBINFHSA-N 0 0 223.663 2.234 10 0 BEAERN O=Cc1cc(-n2cccn2)ccc1Cl ZINC000095935165 384411924 /nfs/dbraw/zinc/41/19/24/384411924.db2.gz YYPRSDVFBKZPIG-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN COc1cc(F)cc(C=O)c1OC(F)F ZINC000575660644 384412744 /nfs/dbraw/zinc/41/27/44/384412744.db2.gz VZAPTNNOFASNOW-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COC(=O)[C@@H](C)N(OC)c1c(C)cccc1C ZINC000164213902 384413928 /nfs/dbraw/zinc/41/39/28/384413928.db2.gz OABBFKUSJCCJFO-LLVKDONJSA-N 0 0 237.299 2.233 10 0 BEAERN Nc1nc(C(F)(F)F)cnc1C(F)(F)F ZINC000096034534 384426997 /nfs/dbraw/zinc/42/69/97/384426997.db2.gz CNARQPBWYWKYIY-UHFFFAOYSA-N 0 0 231.099 2.096 10 0 BEAERN CC(C)C[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000121509788 384419325 /nfs/dbraw/zinc/41/93/25/384419325.db2.gz GANHPBUGQIRKSH-MNOVXSKESA-N 0 0 249.358 2.380 10 0 BEAERN CC(=O)c1cc(OC(F)F)cc(O)c1C=O ZINC000575662084 384419703 /nfs/dbraw/zinc/41/97/03/384419703.db2.gz WSALZLLRXUSXTQ-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN COc1cc(C(C)=O)c(OC(F)F)cc1C=O ZINC000575662179 384420849 /nfs/dbraw/zinc/42/08/49/384420849.db2.gz YSGPCQCGKRTCMD-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Cc1c(O)cc(OC(F)F)cc1C=O ZINC000575662975 384423501 /nfs/dbraw/zinc/42/35/01/384423501.db2.gz NCYBVCZLZJKWII-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN CCOc1cc(OC)cc(CO)c1OC(F)F ZINC000575656997 384378329 /nfs/dbraw/zinc/37/83/29/384378329.db2.gz JTYIVJJKWYWVBN-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN FC(F)(F)c1coc(Br)n1 ZINC000095642419 384384959 /nfs/dbraw/zinc/38/49/59/384384959.db2.gz GOJLDYZMFAQWAN-UHFFFAOYSA-N 0 0 215.956 2.456 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)N2CCCC2)o1 ZINC000045289855 384385290 /nfs/dbraw/zinc/38/52/90/384385290.db2.gz DPBBQBSXZRNXEB-SNVBAGLBSA-N 0 0 222.288 2.454 10 0 BEAERN COC(=O)Cc1ccc(F)cc1OC(F)F ZINC000309171954 384444633 /nfs/dbraw/zinc/44/46/33/384444633.db2.gz QCTWBDGNNORXHH-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN S=c1[nH]cnc2nn(-c3ccccc3)cc21 ZINC000015828500 384444707 /nfs/dbraw/zinc/44/47/07/384444707.db2.gz UXLFFDNVLWHGFM-UHFFFAOYSA-N 0 0 228.280 2.104 10 0 BEAERN CC(=O)c1ccc(C(F)F)c(C=O)c1O ZINC000575669699 384455390 /nfs/dbraw/zinc/45/53/90/384455390.db2.gz KCYRIAHWPGTRPI-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN COc1ccc(C)c(OC(F)F)c1O ZINC000575664980 384428224 /nfs/dbraw/zinc/42/82/24/384428224.db2.gz MYHAFTIKZRHXLW-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCN(C(=O)CCc1ccccc1O)C1CC1 ZINC000121701256 384434744 /nfs/dbraw/zinc/43/47/44/384434744.db2.gz QVDOXVWZLXZGIY-UHFFFAOYSA-N 0 0 233.311 2.336 10 0 BEAERN COc1cc(O)cc(OC(F)F)c1C ZINC000575666762 384441799 /nfs/dbraw/zinc/44/17/99/384441799.db2.gz ZXRYNKDTZSJIPE-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCOc1cc(C(F)F)cc(O)c1CO ZINC000575667606 384443605 /nfs/dbraw/zinc/44/36/05/384443605.db2.gz RYWFULAKCSQPSB-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN C[C@H]1C[C@H](O)CN(Cc2cccc(F)c2F)C1 ZINC000334745743 384485846 /nfs/dbraw/zinc/48/58/46/384485846.db2.gz KGOYOAWIEUPPNS-ONGXEEELSA-N 0 0 241.281 2.168 10 0 BEAERN COc1cc(C(F)(F)F)c(C(N)=O)cc1C ZINC000575674571 384476766 /nfs/dbraw/zinc/47/67/66/384476766.db2.gz SBQFEDVCVRYABV-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN C[C@@H](NC(=O)NCCc1ccsc1)C1CC1 ZINC000048113573 384477151 /nfs/dbraw/zinc/47/71/51/384477151.db2.gz XHDPOBXQGXUYHZ-SECBINFHSA-N 0 0 238.356 2.388 10 0 BEAERN COC(=O)[C@H]1CC[C@@H](c2ccc(C)cc2)CN1 ZINC000079026365 384478924 /nfs/dbraw/zinc/47/89/24/384478924.db2.gz YRQYNUYPGNPAHW-CHWSQXEVSA-N 0 0 233.311 2.004 10 0 BEAERN CC[C@H](Nc1nccn2c(C)nnc12)C(C)C ZINC000079469008 384499080 /nfs/dbraw/zinc/49/90/80/384499080.db2.gz NZVHLOCHTUWMCY-JTQLQIEISA-N 0 0 233.319 2.279 10 0 BEAERN CCc1ccc(S(=O)(=O)NC(C)(C)C)s1 ZINC000048660170 384503661 /nfs/dbraw/zinc/50/36/61/384503661.db2.gz UWSJKYHYYQWTMK-UHFFFAOYSA-N 0 0 247.385 2.387 10 0 BEAERN Cc1cc(-c2nccc(N)n2)c(C)s1 ZINC000050867369 384513414 /nfs/dbraw/zinc/51/34/14/384513414.db2.gz SILHILOKZJOCEQ-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN O=Cc1c(O)cccc1OC(F)(F)F ZINC000085344384 384518781 /nfs/dbraw/zinc/51/87/81/384518781.db2.gz UVRULUZOERPFTP-UHFFFAOYSA-N 0 0 206.119 2.103 10 0 BEAERN CCn1cc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000085631548 384550954 /nfs/dbraw/zinc/55/09/54/384550954.db2.gz ZNGWDCHSQOOKRI-SRVKXCTJSA-N 0 0 235.331 2.128 10 0 BEAERN CCC[C@H](C)Nc1ccc(C(N)=O)cc1 ZINC000019911751 384556548 /nfs/dbraw/zinc/55/65/48/384556548.db2.gz OCEPBGLCPRYIGY-VIFPVBQESA-N 0 0 206.289 2.386 10 0 BEAERN COc1cc(C)c(NCc2ncc[nH]2)cc1OC ZINC000049715154 384561166 /nfs/dbraw/zinc/56/11/66/384561166.db2.gz IGXLRMJFBDNUQB-UHFFFAOYSA-N 0 0 247.298 2.347 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)N[C@H]1CCCOCC1 ZINC000183578482 384540700 /nfs/dbraw/zinc/54/07/00/384540700.db2.gz IWDOGLOVNZYVHV-JQWIXIFHSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1ccc(C(=O)Nc2ccc(F)cn2)c(C)n1 ZINC000103015842 384589851 /nfs/dbraw/zinc/58/98/51/384589851.db2.gz AFDQBFQOOYBECN-UHFFFAOYSA-N 0 0 245.257 2.485 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)CCC(C)C ZINC000103357450 384608830 /nfs/dbraw/zinc/60/88/30/384608830.db2.gz GEDFOFZZCJOBPF-QWRGUYRKSA-N 0 0 215.337 2.210 10 0 BEAERN CC[C@]1(O)CC=C(N)C=C1c1ccccc1 ZINC000100260482 384628110 /nfs/dbraw/zinc/62/81/10/384628110.db2.gz VLYMSOUKKBFBIP-AWEZNQCLSA-N 0 0 215.296 2.457 10 0 BEAERN Cc1ccc2c(C)cc(CO)c(O)c2n1 ZINC000098095833 384593935 /nfs/dbraw/zinc/59/39/35/384593935.db2.gz GLJMYNQVVIIHKG-UHFFFAOYSA-N 0 0 203.241 2.050 10 0 BEAERN Nc1ccc(C(=O)OCc2ccccc2)cc1N ZINC000098178488 384599594 /nfs/dbraw/zinc/59/95/94/384599594.db2.gz DUYJXDQRAJMJEH-UHFFFAOYSA-N 0 0 242.278 2.208 10 0 BEAERN CC(C)(C)NC(=O)CSCCOC(C)(C)C ZINC000108413813 384663977 /nfs/dbraw/zinc/66/39/77/384663977.db2.gz AFTZGBHNEHVIGB-UHFFFAOYSA-N 0 0 247.404 2.449 10 0 BEAERN NC(=O)c1cc(F)cc(C(F)(F)F)c1F ZINC000575695867 384665581 /nfs/dbraw/zinc/66/55/81/384665581.db2.gz RMLUEIRRZMXIRA-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN O=Cc1cccn2cc(C(F)(F)F)nc12 ZINC000082371257 384676367 /nfs/dbraw/zinc/67/63/67/384676367.db2.gz CDXDULYMBFGRBU-UHFFFAOYSA-N 0 0 214.146 2.166 10 0 BEAERN CC(C)[C@H](C)Nc1cc(Cl)nc(N)n1 ZINC000082190567 384651892 /nfs/dbraw/zinc/65/18/92/384651892.db2.gz FXPCUXVOIRSOGP-LURJTMIESA-N 0 0 214.700 2.169 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000154713574 384656534 /nfs/dbraw/zinc/65/65/34/384656534.db2.gz DKTALAHFIUPYMQ-VHSXEESVSA-N 0 0 213.321 2.249 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000176477621 384656796 /nfs/dbraw/zinc/65/67/96/384656796.db2.gz HMHQDTZPLCOTKY-WYUUTHIRSA-N 0 0 222.332 2.226 10 0 BEAERN O=C(c1ccco1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000082277803 384660748 /nfs/dbraw/zinc/66/07/48/384660748.db2.gz QKFJALOLFMCYLR-NSHDSACASA-N 0 0 245.282 2.370 10 0 BEAERN O=Cc1ccc(OCCNc2ccccn2)cc1 ZINC000022066182 384725968 /nfs/dbraw/zinc/72/59/68/384725968.db2.gz JVWGQRVBARRDQQ-UHFFFAOYSA-N 0 0 242.278 2.385 10 0 in-vitro BEAERN CC(=O)C=C(C)OC(=O)c1ccccc1 ZINC000036477191 384685343 /nfs/dbraw/zinc/68/53/43/384685343.db2.gz SHFIONQRGVEWRT-CSKARUKUSA-N 0 0 204.225 2.336 10 0 BEAERN CCCc1ncc(C(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000173477306 384685709 /nfs/dbraw/zinc/68/57/09/384685709.db2.gz MXLBKPYJNXFYSH-JGVFFNPUSA-N 0 0 224.329 2.234 10 0 BEAERN CC[C@@H](C)C(=O)N(C)CCc1ncc(C)s1 ZINC000124967311 384687464 /nfs/dbraw/zinc/68/74/64/384687464.db2.gz LTOKOLAOZYHEFI-SECBINFHSA-N 0 0 240.372 2.499 10 0 BEAERN COC(=O)c1noc(-c2ccccc2)c1C ZINC000142654982 384702805 /nfs/dbraw/zinc/70/28/05/384702805.db2.gz AUHGYZXLIJUWJZ-UHFFFAOYSA-N 0 0 217.224 2.437 10 0 BEAERN Cc1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051990354 384708138 /nfs/dbraw/zinc/70/81/38/384708138.db2.gz KHOSJWGULIPPPR-ZJUUUORDSA-N 0 0 239.340 2.090 10 0 BEAERN CCOCCN1CCO[C@H](c2ccsc2)C1 ZINC000125311180 384709685 /nfs/dbraw/zinc/70/96/85/384709685.db2.gz RJKXKWNAFZUUMJ-LBPRGKRZSA-N 0 0 241.356 2.158 10 0 BEAERN CC(=O)COc1cc(O)ccc1Br ZINC000143071755 384713742 /nfs/dbraw/zinc/71/37/42/384713742.db2.gz HFBKAPUWRYTNDW-UHFFFAOYSA-N 0 0 245.072 2.123 10 0 BEAERN Nc1cc2cc([C@H](O)c3ccccc3)[nH]c2cn1 ZINC000142943127 384714133 /nfs/dbraw/zinc/71/41/33/384714133.db2.gz CLVLWBCTRRHLSX-CQSZACIVSA-N 0 0 239.278 2.227 10 0 BEAERN CCOC[C@H](C)NC(=O)c1cc(C)ccc1F ZINC000053009768 384717962 /nfs/dbraw/zinc/71/79/62/384717962.db2.gz WORGFFABLCMKGI-JTQLQIEISA-N 0 0 239.290 2.289 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCCCC[C@@H]1O)C(C)(C)C ZINC000360550533 384777033 /nfs/dbraw/zinc/77/70/33/384777033.db2.gz OKPMBPAPQSCMGQ-WOPDTQHZSA-N 0 0 241.375 2.478 10 0 BEAERN CC1(C)C[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000126107946 384734838 /nfs/dbraw/zinc/73/48/38/384734838.db2.gz QOGWZEOXQAXBTK-JTQLQIEISA-N 0 0 205.257 2.377 10 0 BEAERN O=C(C1CCCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177765154 384759273 /nfs/dbraw/zinc/75/92/73/384759273.db2.gz LZYNYEFZEPSOGO-CYBMUJFWSA-N 0 0 247.342 2.064 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000103355786 384762788 /nfs/dbraw/zinc/76/27/88/384762788.db2.gz IQSPBYTVSGDCMN-SECBINFHSA-N 0 0 235.283 2.110 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccccc1Cl ZINC000103357066 384763218 /nfs/dbraw/zinc/76/32/18/384763218.db2.gz MPDNHENLFFEEEK-VIFPVBQESA-N 0 0 241.718 2.239 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000103356134 384763230 /nfs/dbraw/zinc/76/32/30/384763230.db2.gz TXXMDAVKSSJTSB-MRVPVSSYSA-N 0 0 211.236 2.047 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000103372770 384764838 /nfs/dbraw/zinc/76/48/38/384764838.db2.gz NXBMNOIVVPMOBD-NWDGAFQWSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@@H](C)C(=O)OCc1cccc(OC)c1 ZINC000103357678 384765391 /nfs/dbraw/zinc/76/53/91/384765391.db2.gz YCINAERQMPMOQF-SNVBAGLBSA-N 0 0 238.283 2.021 10 0 BEAERN CSCC(=O)Nc1nc(C)c(C)s1 ZINC000024242783 384817687 /nfs/dbraw/zinc/81/76/87/384817687.db2.gz BETIZJJURJDXHS-UHFFFAOYSA-N 0 0 216.331 2.061 10 0 BEAERN COc1c(F)cc(CO)cc1C(F)(F)F ZINC000575708477 384819522 /nfs/dbraw/zinc/81/95/22/384819522.db2.gz QIEKZSFGELLSMX-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN CCC1(C(=O)N2C[C@@H](C)C[C@H](O)C2)CCCC1 ZINC000335100395 384820360 /nfs/dbraw/zinc/82/03/60/384820360.db2.gz SOSQRUQIAPGUCK-RYUDHWBXSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)C2(C)CCCCC2)C1 ZINC000335118638 384822998 /nfs/dbraw/zinc/82/29/98/384822998.db2.gz FDTLQFQIEHEPSK-VXGBXAGGSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@H](CSc1nnnn1C)c1ccccc1 ZINC000116610150 384785764 /nfs/dbraw/zinc/78/57/64/384785764.db2.gz CLCOHTWDTZCYRR-SECBINFHSA-N 0 0 234.328 2.106 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(C)nc(OC)n1 ZINC000310022979 384789638 /nfs/dbraw/zinc/78/96/38/384789638.db2.gz ODUPVXWCNCUHOM-UWVGGRQHSA-N 0 0 221.304 2.394 10 0 BEAERN COC(=O)c1cc2cc(Cl)cnc2o1 ZINC000072193579 384810227 /nfs/dbraw/zinc/81/02/27/384810227.db2.gz CYHRTBYAERFQAH-UHFFFAOYSA-N 0 0 211.604 2.268 10 0 BEAERN O[C@@H]1CSC[C@H]1CCC(F)(F)F ZINC000156226716 384873847 /nfs/dbraw/zinc/87/38/47/384873847.db2.gz YDMDNCAXBUQSDX-PHDIDXHHSA-N 0 0 200.225 2.053 10 0 BEAERN COc1c(C(C)=O)cc(N)cc1C(F)(F)F ZINC000575716775 384876847 /nfs/dbraw/zinc/87/68/47/384876847.db2.gz MSFFUWMFWZCNEQ-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN c1csc([C@H](Nc2ncccn2)C2CC2)n1 ZINC000301378331 384878742 /nfs/dbraw/zinc/87/87/42/384878742.db2.gz XKBNCAAKBCDOLI-SECBINFHSA-N 0 0 232.312 2.496 10 0 BEAERN CCOc1cc(N)c(CC)cc1C(C)=O ZINC000575717361 384882634 /nfs/dbraw/zinc/88/26/34/384882634.db2.gz OXNWIYFHALWCPN-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000038221655 384849606 /nfs/dbraw/zinc/84/96/06/384849606.db2.gz CWVJQDHRHFIPSY-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CC[C@@H]1CN(C(=O)OC(C)C)C[C@H](C)O1 ZINC000497190490 384851674 /nfs/dbraw/zinc/85/16/74/384851674.db2.gz OJBWQHTYZLZZQG-VHSXEESVSA-N 0 0 215.293 2.031 10 0 BEAERN CSc1nc(C)cc(Br)n1 ZINC000084238706 384851944 /nfs/dbraw/zinc/85/19/44/384851944.db2.gz SVJCNEOJRVMRMJ-UHFFFAOYSA-N 0 0 219.107 2.269 10 0 BEAERN c1ccc2c(c1)OCC[C@@H]2NCc1cncnc1 ZINC000054767631 384853525 /nfs/dbraw/zinc/85/35/25/384853525.db2.gz SYOCTGHSRKGXKI-ZDUSSCGKSA-N 0 0 241.294 2.090 10 0 BEAERN CC(C)OCc1nnc(Br)s1 ZINC000156788683 384890202 /nfs/dbraw/zinc/89/02/02/384890202.db2.gz LESPMHKBMCGXPS-UHFFFAOYSA-N 0 0 237.122 2.226 10 0 BEAERN COC(=O)c1cc(O)c(C(F)(F)F)cc1F ZINC000575713426 384858759 /nfs/dbraw/zinc/85/87/59/384858759.db2.gz ACYHCGWSGKOUTN-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN O=C1c2cccc(O)c2C[C@H]1Cc1ccncc1 ZINC000013736300 384867876 /nfs/dbraw/zinc/86/78/76/384867876.db2.gz BACTUNZVDVACML-LLVKDONJSA-N 0 0 239.274 2.385 10 0 BEAERN NC(=S)c1cc(O)ccc1C(F)(F)F ZINC000164252939 384950132 /nfs/dbraw/zinc/95/01/32/384950132.db2.gz XUDLVDMEWXGVFF-UHFFFAOYSA-N 0 0 221.203 2.045 10 0 BEAERN CCCc1nnc(NCC2(OC)CCC2)s1 ZINC000302018948 384952473 /nfs/dbraw/zinc/95/24/73/384952473.db2.gz GWXWZDTWAQRHMH-UHFFFAOYSA-N 0 0 241.360 2.472 10 0 BEAERN CC(C)COc1cncc(N[C@@H]2C[C@@H]2C)n1 ZINC000301539302 384891555 /nfs/dbraw/zinc/89/15/55/384891555.db2.gz BNDJEZQIILPUQZ-VHSXEESVSA-N 0 0 221.304 2.332 10 0 BEAERN COCCc1nsc(N[C@@H](C)C(C)C)n1 ZINC000301512957 384892033 /nfs/dbraw/zinc/89/20/33/384892033.db2.gz FQTODGGBMUSESW-QMMMGPOBSA-N 0 0 229.349 2.183 10 0 BEAERN C[C@]1(c2nc(Cl)no2)CCCS1 ZINC000156594555 384894895 /nfs/dbraw/zinc/89/48/95/384894895.db2.gz HGAWTQKNHDTAHQ-SSDOTTSWSA-N 0 0 204.682 2.465 10 0 BEAERN COCc1nsc(N[C@@H](C)c2ccco2)n1 ZINC000301602402 384899910 /nfs/dbraw/zinc/89/99/10/384899910.db2.gz WHTFISIEFCZANB-ZETCQYMHSA-N 0 0 239.300 2.451 10 0 BEAERN COc1c(C)c(N)ccc1OC(F)F ZINC000575723505 384902551 /nfs/dbraw/zinc/90/25/51/384902551.db2.gz PNFTXZWQJLELCH-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCCc1nnc(NCc2ccon2)s1 ZINC000301636543 384902890 /nfs/dbraw/zinc/90/28/90/384902890.db2.gz AACKXSFNCBJRFF-UHFFFAOYSA-N 0 0 224.289 2.091 10 0 BEAERN CCCc1nnc(NC[C@@H]2CCC[C@H]2O)s1 ZINC000301647935 384903339 /nfs/dbraw/zinc/90/33/39/384903339.db2.gz FDGFOVBWLUGPDW-DTWKUNHWSA-N 0 0 241.360 2.064 10 0 BEAERN CCCc1nnc(N[C@H](C)CCOC)s1 ZINC000301644067 384904245 /nfs/dbraw/zinc/90/42/45/384904245.db2.gz CJCZYLKSQUPWEB-MRVPVSSYSA-N 0 0 229.349 2.328 10 0 BEAERN CCOC(=O)Cc1cc(CC)cc(N)c1F ZINC000575724199 384905196 /nfs/dbraw/zinc/90/51/96/384905196.db2.gz ZBZWRQBQMWZQJO-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)c1cc(CC)cc(F)c1N ZINC000575724082 384906628 /nfs/dbraw/zinc/90/66/28/384906628.db2.gz RXRIRMAUFJTWTP-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cncc(OCC)n1 ZINC000301701732 384911832 /nfs/dbraw/zinc/91/18/32/384911832.db2.gz QHCYYMKRJRLGTM-ZJUUUORDSA-N 0 0 221.304 2.476 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2nccc(C)n2)C1 ZINC000301781059 384922093 /nfs/dbraw/zinc/92/20/93/384922093.db2.gz NMIAAFCOXHRACZ-QWRGUYRKSA-N 0 0 221.304 2.155 10 0 BEAERN Clc1ccc([C@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894765 384922246 /nfs/dbraw/zinc/92/22/46/384922246.db2.gz QQIAGCJMLMLXHR-CYBMUJFWSA-N 0 0 236.746 2.449 10 0 BEAERN CCn1c(C)nnc1CN(C)[C@@H](C)C1(C)CC1 ZINC000177231865 384926037 /nfs/dbraw/zinc/92/60/37/384926037.db2.gz YQSTUKGLVWTTOF-JTQLQIEISA-N 0 0 236.363 2.227 10 0 BEAERN COc1cc(OC(F)(F)F)c(N)cc1C ZINC000575730561 384928320 /nfs/dbraw/zinc/92/83/20/384928320.db2.gz XEZVWYXXZUULPU-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(F)c2c(c1F)C(=O)CCC2 ZINC000085210594 384928278 /nfs/dbraw/zinc/92/82/78/384928278.db2.gz NCBSBKBHGUXHIZ-UHFFFAOYSA-N 0 0 212.195 2.492 10 0 BEAERN COc1c(N)ccc(OC(F)(F)F)c1C ZINC000575730583 384929156 /nfs/dbraw/zinc/92/91/56/384929156.db2.gz XIRXNDKLRGKRRD-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2cc(C)ncn2)C1 ZINC000301761981 384933253 /nfs/dbraw/zinc/93/32/53/384933253.db2.gz GITLNZSHRLYLEF-WDEREUQCSA-N 0 0 221.304 2.155 10 0 BEAERN Nc1c(NC2CC2)cccc1NC1CC1 ZINC000057218988 384933322 /nfs/dbraw/zinc/93/33/22/384933322.db2.gz IGAOJDCRJACOGC-UHFFFAOYSA-N 0 0 203.289 2.417 10 0 BEAERN CCC(CC)[S@@](=O)Cc1nccn1CC ZINC000177295332 384944880 /nfs/dbraw/zinc/94/48/80/384944880.db2.gz QSNSJALPRYVSOJ-HNNXBMFYSA-N 0 0 228.361 2.340 10 0 BEAERN CCn1ccnc1C[S@@](=O)[C@@H](C)C(C)C ZINC000177296121 384946384 /nfs/dbraw/zinc/94/63/84/384946384.db2.gz NDRAOQJHIPGCDA-ZUZCIYMTSA-N 0 0 228.361 2.196 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(O)cc1F ZINC000164336091 384966955 /nfs/dbraw/zinc/96/69/55/384966955.db2.gz LJFQVAPGTNBNAH-PELKAZGASA-N 0 0 237.274 2.450 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(O)c1C ZINC000260028216 384970999 /nfs/dbraw/zinc/97/09/99/384970999.db2.gz GTIYXBSGQNQVNH-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Cl)cn1 ZINC000175862186 384972990 /nfs/dbraw/zinc/97/29/90/384972990.db2.gz IXWOTVKXNJQQAX-SVRRBLITSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(-c3ccncc3)no2)O1 ZINC000129415842 384994642 /nfs/dbraw/zinc/99/46/42/384994642.db2.gz ZCGSKCPJBVXBHS-WPRPVWTQSA-N 0 0 231.255 2.372 10 0 BEAERN Nc1ncccc1OCCc1ccccc1 ZINC000020483747 384995891 /nfs/dbraw/zinc/99/58/91/384995891.db2.gz YPLUWJKJQPNWSX-UHFFFAOYSA-N 0 0 214.268 2.285 10 0 BEAERN COC(=O)c1cc2c(C(F)(F)F)[nH]ccc-2n1 ZINC000030677866 385022619 /nfs/dbraw/zinc/02/26/19/385022619.db2.gz LEXGZKYPOKHURF-UHFFFAOYSA-N 0 0 244.172 2.368 10 0 BEAERN C[C@@H](C[C@H]1CCCO1)Nc1ncncc1Cl ZINC000302627820 385003236 /nfs/dbraw/zinc/00/32/36/385003236.db2.gz INLMYVMKAXMIJW-DTWKUNHWSA-N 0 0 241.722 2.500 10 0 BEAERN C[C@H](NC(=O)C(C)(C)O)c1cccc(Cl)c1 ZINC000188065051 385010172 /nfs/dbraw/zinc/01/01/72/385010172.db2.gz LFYYGUZEKWOBCJ-QMMMGPOBSA-N 0 0 241.718 2.288 10 0 BEAERN CC(C)c1nsc(N[C@@H](C)[C@@H](C)CO)n1 ZINC000129610880 385011658 /nfs/dbraw/zinc/01/16/58/385011658.db2.gz VTSZMMFYHVVVIX-YUMQZZPRSA-N 0 0 229.349 2.090 10 0 BEAERN CCn1ccc2c1cccc2CC(=O)OC ZINC000260541364 385017300 /nfs/dbraw/zinc/01/73/00/385017300.db2.gz FINQJLPXHOHODY-UHFFFAOYSA-N 0 0 217.268 2.377 10 0 BEAERN CC1(c2nnc(Br)s2)CC1 ZINC000258743156 385020333 /nfs/dbraw/zinc/02/03/33/385020333.db2.gz CIYNANMYGUDJQV-UHFFFAOYSA-N 0 0 219.107 2.352 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc2ccccc2n1C ZINC000150079464 384962365 /nfs/dbraw/zinc/96/23/65/384962365.db2.gz BPXWHPFLSYSHSJ-ZJUUUORDSA-N 0 0 231.299 2.163 10 0 BEAERN CCc1ccccc1CC(=O)N[C@H]1C[C@@H]1C ZINC000188432398 385052600 /nfs/dbraw/zinc/05/26/00/385052600.db2.gz MFRQXAHYWBSWJI-GWCFXTLKSA-N 0 0 217.312 2.316 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c(F)cc1F ZINC000176278278 385055753 /nfs/dbraw/zinc/05/57/53/385055753.db2.gz AHEDFFMTUSYVPR-CPCISQLKSA-N 0 0 225.238 2.411 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(F)cc1F ZINC000176278310 385056013 /nfs/dbraw/zinc/05/60/13/385056013.db2.gz AHEDFFMTUSYVPR-HQJQHLMTSA-N 0 0 225.238 2.411 10 0 BEAERN Cc1nc(C)c(F)c(N2[C@@H](C)C[C@@H]2C)n1 ZINC000336324492 385064079 /nfs/dbraw/zinc/06/40/79/385064079.db2.gz MSDCWKDCKJJLKH-BQBZGAKWSA-N 0 0 209.268 2.220 10 0 BEAERN O=c1cc(-c2ccccc2)nc(NC2CC2)[nH]1 ZINC000058823959 385025749 /nfs/dbraw/zinc/02/57/49/385025749.db2.gz YJGJWENUYUTRGL-UHFFFAOYSA-N 0 0 227.267 2.011 10 0 BEAERN Cc1cc(C)c(CSC[C@@H](O)CO)c(C)c1 ZINC000086660826 385037776 /nfs/dbraw/zinc/03/77/76/385037776.db2.gz ZKKIJDQBDPJWEU-LBPRGKRZSA-N 0 0 240.368 2.198 10 0 BEAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccco1 ZINC000164749039 385039141 /nfs/dbraw/zinc/03/91/41/385039141.db2.gz LMVDKZQEYXSSIS-UWVGGRQHSA-N 0 0 232.287 2.057 10 0 BEAERN Cc1cnc(NC(=O)[C@@H]2CCCO[C@@H]2C)s1 ZINC000188974130 385109804 /nfs/dbraw/zinc/10/98/04/385109804.db2.gz MQFXOFBHECKYMV-RKDXNWHRSA-N 0 0 240.328 2.205 10 0 BEAERN CS[C@H](C)CNC(=O)[C@@H](C)c1cccnc1 ZINC000129107441 385111457 /nfs/dbraw/zinc/11/14/57/385111457.db2.gz PXRHOYZMMUJKTQ-ZJUUUORDSA-N 0 0 238.356 2.053 10 0 BEAERN Cn1cc([C@H]2CCCN2C(=O)C2CC=CC2)cn1 ZINC000151629650 385120399 /nfs/dbraw/zinc/12/03/99/385120399.db2.gz AHGOEGPXQHEXPU-CYBMUJFWSA-N 0 0 245.326 2.050 10 0 BEAERN Cc1sccc1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000296227457 385125352 /nfs/dbraw/zinc/12/53/52/385125352.db2.gz WSGFQMZYOLYMKP-GZMMTYOYSA-N 0 0 239.340 2.042 10 0 BEAERN COc1cc(OC(F)(F)F)cc(C#N)c1C=O ZINC000575647085 385128721 /nfs/dbraw/zinc/12/87/21/385128721.db2.gz JHBYJWDTXJBQDX-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCONC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081992 385134038 /nfs/dbraw/zinc/13/40/38/385134038.db2.gz JBYDMNVIUKEGAU-IUCAKERBSA-N 0 0 241.237 2.136 10 0 BEAERN Cc1ccnc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000188804792 385091906 /nfs/dbraw/zinc/09/19/06/385091906.db2.gz GCUSXTOGKUVQLH-GHMZBOCLSA-N 0 0 234.299 2.144 10 0 BEAERN O=C(C1CC=CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000151965507 385145464 /nfs/dbraw/zinc/14/54/64/385145464.db2.gz BYCVHTYYMUCJDR-CYBMUJFWSA-N 0 0 245.326 2.430 10 0 BEAERN C[C@H](Cc1ccccc1)N1CCC(=O)CC1 ZINC000062187361 385163102 /nfs/dbraw/zinc/16/31/02/385163102.db2.gz GGUGTDILXPSMFH-GFCCVEGCSA-N 0 0 217.312 2.283 10 0 BEAERN Cc1ccc(C=O)c(-c2cnn(C)c2)c1 ZINC000129707625 385177725 /nfs/dbraw/zinc/17/77/25/385177725.db2.gz GSUWTOKVCKVGQX-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN Cc1cnc(SC[C@H](O)C(C)(C)C)nc1 ZINC000308840175 385212215 /nfs/dbraw/zinc/21/22/15/385212215.db2.gz YIFPPHMWDQQHGY-VIFPVBQESA-N 0 0 226.345 2.284 10 0 BEAERN Cc1nc(C)c(F)c(N2CC[C@@H](C)C2)n1 ZINC000336383035 385212860 /nfs/dbraw/zinc/21/28/60/385212860.db2.gz UYZDKEQXSCYNMR-SSDOTTSWSA-N 0 0 209.268 2.079 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000190276595 385226139 /nfs/dbraw/zinc/22/61/39/385226139.db2.gz PBIFINRIVARDEN-JOYOIKCWSA-N 0 0 235.283 2.146 10 0 BEAERN Clc1nccc(NCc2cccnc2)n1 ZINC000051849425 385319933 /nfs/dbraw/zinc/31/99/33/385319933.db2.gz KKUYUQNOFDIDRI-UHFFFAOYSA-N 0 0 220.663 2.137 10 0 BEAERN Nc1nc(Br)c(Cl)s1 ZINC000238617730 385259428 /nfs/dbraw/zinc/25/94/28/385259428.db2.gz OFOWVTSYRZXYDW-UHFFFAOYSA-N 0 0 213.487 2.141 10 0 BEAERN O=C(c1ccoc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127600209 385266991 /nfs/dbraw/zinc/26/69/91/385266991.db2.gz JLVMWVTYYZORRM-TZMCWYRMSA-N 0 0 249.310 2.047 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(Cl)cc1O ZINC000153635460 385268235 /nfs/dbraw/zinc/26/82/35/385268235.db2.gz OLBKRWBTYILHHI-SSDOTTSWSA-N 0 0 243.690 2.267 10 0 BEAERN Nc1nc2cc(F)c(F)c(F)c2s1 ZINC000015442801 385274004 /nfs/dbraw/zinc/27/40/04/385274004.db2.gz DQLAGXBUTICAIQ-UHFFFAOYSA-N 0 0 204.176 2.296 10 0 BEAERN CON(C)C(=O)Cc1ccc(C(C)C)cc1 ZINC000215662600 385323093 /nfs/dbraw/zinc/32/30/93/385323093.db2.gz RNAIMPOQSHZVIQ-UHFFFAOYSA-N 0 0 221.300 2.372 10 0 BEAERN COC(=O)c1ccc2oc(Cl)nc2c1 ZINC000034452206 385281412 /nfs/dbraw/zinc/28/14/12/385281412.db2.gz BNLACLQPNMYERU-UHFFFAOYSA-N 0 0 211.604 2.268 10 0 BEAERN CCc1c(OC)cc(C#N)cc1[N+](=O)[O-] ZINC000575647431 385289176 /nfs/dbraw/zinc/28/91/76/385289176.db2.gz LQMXIFWGDGLSNH-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCC1(NC(=O)c2cc(N(C)C)ccn2)CCC1 ZINC000131464077 385337823 /nfs/dbraw/zinc/33/78/23/385337823.db2.gz NDNRMUHEEXWGCP-UHFFFAOYSA-N 0 0 247.342 2.210 10 0 BEAERN CCCCCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000131537345 385342799 /nfs/dbraw/zinc/34/27/99/385342799.db2.gz VWPDGEWYBCJGTK-JTQLQIEISA-N 0 0 235.331 2.136 10 0 BEAERN CCC1(CNC(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000178204007 385343305 /nfs/dbraw/zinc/34/33/05/385343305.db2.gz KXYAONCAOUODIY-NSHDSACASA-N 0 0 247.342 2.067 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000192508246 385360798 /nfs/dbraw/zinc/36/07/98/385360798.db2.gz IYUIUUQDANKBGL-JLLWLGSASA-N 0 0 230.311 2.026 10 0 BEAERN Cn1cc([C@@H]2CCCN2Cc2cncs2)cn1 ZINC000131833525 385364770 /nfs/dbraw/zinc/36/47/70/385364770.db2.gz SMVPDPIRGPZTLC-LBPRGKRZSA-N 0 0 248.355 2.214 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NCCCc1ccccn1 ZINC000179154826 385371464 /nfs/dbraw/zinc/37/14/64/385371464.db2.gz UFLKEWQOPLIFQG-GFCCVEGCSA-N 0 0 249.358 2.358 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1nc2cccnc2s1 ZINC000193856280 385414932 /nfs/dbraw/zinc/41/49/32/385414932.db2.gz NEONMNUXDCZQDE-QMMMGPOBSA-N 0 0 249.339 2.466 10 0 BEAERN O[C@@H]1CSC[C@@H]1CCC(F)(F)F ZINC000156226590 385442709 /nfs/dbraw/zinc/44/27/09/385442709.db2.gz YDMDNCAXBUQSDX-NTSWFWBYSA-N 0 0 200.225 2.053 10 0 BEAERN COCc1cccc(CN2[C@H](C)COC[C@@H]2C)c1 ZINC000179221993 385452496 /nfs/dbraw/zinc/45/24/96/385452496.db2.gz DPGMBBAYMDMPIK-BETUJISGSA-N 0 0 249.354 2.442 10 0 BEAERN Cc1ccncc1NCC[C@@H]1CCOC1 ZINC000309139351 385432372 /nfs/dbraw/zinc/43/23/72/385432372.db2.gz GTYKFDRLSZQWSX-LLVKDONJSA-N 0 0 206.289 2.229 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2CC[C@H]2C)n1 ZINC000309152973 385436171 /nfs/dbraw/zinc/43/61/71/385436171.db2.gz WSURVLOUGNTIAL-HZGVNTEJSA-N 0 0 209.268 2.443 10 0 BEAERN Cc1ccc(OCC(=O)N[C@H]2C[C@H]2C)cc1C ZINC000171068486 385466081 /nfs/dbraw/zinc/46/60/81/385466081.db2.gz AZLLEYMHNQKYMP-YPMHNXCESA-N 0 0 233.311 2.207 10 0 BEAERN Cc1n[nH]c(C)c1NC1CCSCC1 ZINC000036734259 385467997 /nfs/dbraw/zinc/46/79/97/385467997.db2.gz CBZQNYAFDMZANZ-UHFFFAOYSA-N 0 0 211.334 2.334 10 0 BEAERN CONCc1cccc(F)c1Br ZINC000156772917 385468397 /nfs/dbraw/zinc/46/83/97/385468397.db2.gz FGFCDKDIHQHHDY-UHFFFAOYSA-N 0 0 234.068 2.239 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000195240173 385463235 /nfs/dbraw/zinc/46/32/35/385463235.db2.gz PSNPPYQYHITDAD-ZJNJWXDTSA-N 0 0 248.301 2.389 10 0 BEAERN Cc1c(C(=O)N[C@@H]2C[C@@H]2C)cnn1C(C)(C)C ZINC000171051192 385464189 /nfs/dbraw/zinc/46/41/89/385464189.db2.gz JBFBCEKEYVFFIV-GZMMTYOYSA-N 0 0 235.331 2.085 10 0 BEAERN Cc1nc(Cl)cc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000052836194 385498008 /nfs/dbraw/zinc/49/80/08/385498008.db2.gz QWZOZVDVBODUKR-VXNVDRBHSA-N 0 0 241.722 2.418 10 0 BEAERN C[Si](C)(C)c1ccc(Br)nc1 ZINC000196033847 385502883 /nfs/dbraw/zinc/50/28/83/385502883.db2.gz RTWLWJUSMCRNHS-UHFFFAOYSA-N 0 0 230.181 2.389 10 0 BEAERN Nc1ccn2nc(-c3ccc(F)cc3)nc2c1 ZINC000257905953 385512125 /nfs/dbraw/zinc/51/21/25/385512125.db2.gz GIKMLJRBVNXSAT-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN c1cncc(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000172075631 385546677 /nfs/dbraw/zinc/54/66/77/385546677.db2.gz FMSIOIARHLEVPE-LSDHHAIUSA-N 0 0 246.354 2.268 10 0 BEAERN CC(C)c1cc(C(=O)N[C@H]2C[C@H]2C)cc(=O)[nH]1 ZINC000181127061 385563923 /nfs/dbraw/zinc/56/39/23/385563923.db2.gz IJNSATRWDLVCOP-KCJUWKMLSA-N 0 0 234.299 2.049 10 0 BEAERN COC(=O)Cc1c(C)ccc(OC)c1Cl ZINC000259983666 385636624 /nfs/dbraw/zinc/63/66/24/385636624.db2.gz HXPPHAIRMKEKDW-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN COC(=O)Cc1c(OC)ccc(C)c1Cl ZINC000259979320 385633594 /nfs/dbraw/zinc/63/35/94/385633594.db2.gz KSSILCCPECFCDD-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN Cc1cnc([C@H](C)N[C@H](C)[C@H]2CCCO2)o1 ZINC000336682658 385641406 /nfs/dbraw/zinc/64/14/06/385641406.db2.gz YNGCAFTWHTUGPY-OUAUKWLOSA-N 0 0 224.304 2.201 10 0 BEAERN C[C@H](Nc1ncccc1F)[C@H]1CCCO1 ZINC000054700592 385643406 /nfs/dbraw/zinc/64/34/06/385643406.db2.gz FGIJJRHMHGHPPL-WCBMZHEXSA-N 0 0 210.252 2.200 10 0 BEAERN COC(=O)Cc1c(OC)ccc(OC)c1Cl ZINC000260027113 385650683 /nfs/dbraw/zinc/65/06/83/385650683.db2.gz JKYJYVRAAXMVEA-UHFFFAOYSA-N 0 0 244.674 2.073 10 0 BEAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)C1CC1 ZINC000117580997 385656705 /nfs/dbraw/zinc/65/67/05/385656705.db2.gz LCRNYCLIDYGUGO-BHDSKKPTSA-N 0 0 245.322 2.466 10 0 BEAERN C[C@H](NCc1cncs1)c1ccccn1 ZINC000054770153 385660533 /nfs/dbraw/zinc/66/05/33/385660533.db2.gz ODVNEENZUXFKGZ-VIFPVBQESA-N 0 0 219.313 2.389 10 0 BEAERN CCOC(=O)c1c(F)c(F)cc(F)c1OC ZINC000260054562 385660579 /nfs/dbraw/zinc/66/05/79/385660579.db2.gz IJYRDCBWMRKJQZ-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN CCOC(=O)c1ccc(C)c(OC)c1C ZINC000260054709 385660829 /nfs/dbraw/zinc/66/08/29/385660829.db2.gz ILQINXANBZXCGW-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(F)c1OC ZINC000259860180 385673706 /nfs/dbraw/zinc/67/37/06/385673706.db2.gz AEJKRWRYDOJQCW-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN C[C@@]1(O)CC=CC(=O)[C@@H]1C(=O)c1ccccc1 ZINC000211852318 385697389 /nfs/dbraw/zinc/69/73/89/385697389.db2.gz KUYXUKKXBUWTRS-TZMCWYRMSA-N 0 0 230.263 2.248 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+][C@@H](CC2CC2)C12CCCCC2 ZINC000211933823 385700401 /nfs/dbraw/zinc/70/04/01/385700401.db2.gz RHBXCFNALCPLHO-RYUDHWBXSA-N 0 0 237.343 2.410 10 0 BEAERN COC(=O)[C@@H]1CCc2ccccc2N1C(C)C ZINC000616594238 385704791 /nfs/dbraw/zinc/70/47/91/385704791.db2.gz OSDAXNVWVZURSR-ZDUSSCGKSA-N 0 0 233.311 2.389 10 0 BEAERN C[C@H](CC1CC1)NC(=O)[C@H]1COc2ccccc21 ZINC000113056270 385666767 /nfs/dbraw/zinc/66/67/67/385666767.db2.gz GQYJMYGFNXSPCP-MFKMUULPSA-N 0 0 245.322 2.467 10 0 BEAERN CC[C@H](Nc1nc(C(N)=O)cs1)C(C)C ZINC000292422540 385734546 /nfs/dbraw/zinc/73/45/46/385734546.db2.gz FSXGSRUENHTHRT-ZETCQYMHSA-N 0 0 227.333 2.089 10 0 BEAERN CC(C)c1nccnc1NCc1nccs1 ZINC000336736714 385751417 /nfs/dbraw/zinc/75/14/17/385751417.db2.gz IYPQWMUKYCXVRT-UHFFFAOYSA-N 0 0 234.328 2.091 10 0 BEAERN Cc1cnc(N[C@H]2CCc3nccn3C2)s1 ZINC000309620432 385752234 /nfs/dbraw/zinc/75/22/34/385752234.db2.gz DCMFXGPHRAAKAQ-VIFPVBQESA-N 0 0 234.328 2.075 10 0 BEAERN O=C(c1cccc(O)c1)c1cccc(O)c1 ZINC000062721454 385776046 /nfs/dbraw/zinc/77/60/46/385776046.db2.gz JHTLNCNCXLCNFN-UHFFFAOYSA-N 0 0 214.220 2.329 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2CSC[C@H]2C)n1 ZINC000309659957 385778174 /nfs/dbraw/zinc/77/81/74/385778174.db2.gz APQOZXIVCGTXFM-MUWHJKNJSA-N 0 0 241.335 2.396 10 0 BEAERN COC(=O)Cc1cc(Cl)c(OC)cc1C ZINC000259073193 385781297 /nfs/dbraw/zinc/78/12/97/385781297.db2.gz HGKNCMVSYLOARB-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN CCC[C@@H](NCC1CC1)C(=O)OC(C)(C)C ZINC000185068163 385719844 /nfs/dbraw/zinc/71/98/44/385719844.db2.gz YUQHLKWSALWPPT-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cnn(C)c(=O)c1Cl ZINC000231662262 385811421 /nfs/dbraw/zinc/81/14/21/385811421.db2.gz APNFHTJGTJNRTB-SFYZADRCSA-N 0 0 241.722 2.034 10 0 BEAERN c1c[nH]c(CNCc2ccc3ccccc3n2)n1 ZINC000112345799 385838707 /nfs/dbraw/zinc/83/87/07/385838707.db2.gz LWOZZMKIPSFCKA-UHFFFAOYSA-N 0 0 238.294 2.248 10 0 BEAERN CC(C)(C)NC(=O)c1ccc(C=O)cc1 ZINC000066607006 385843435 /nfs/dbraw/zinc/84/34/35/385843435.db2.gz DGUSJCIMVOPGQK-UHFFFAOYSA-N 0 0 205.257 2.027 10 0 BEAERN Cc1c(/C=C\c2ccc(N)cc2)cnn1C ZINC000216062298 385858564 /nfs/dbraw/zinc/85/85/64/385858564.db2.gz YAAKBBQQODOMGM-UTCJRWHESA-N 0 0 213.284 2.481 10 0 BEAERN Cc1coc(C)c1C(=O)N1CCS[C@@H](C)C1 ZINC000284063982 385849085 /nfs/dbraw/zinc/84/90/85/385849085.db2.gz RLFKNHLDNZXPBQ-VIFPVBQESA-N 0 0 239.340 2.474 10 0 BEAERN Brc1cnccc1N1CCCCO1 ZINC000159967725 385865443 /nfs/dbraw/zinc/86/54/43/385865443.db2.gz IZTCDWCXVHYKMO-UHFFFAOYSA-N 0 0 243.104 2.376 10 0 BEAERN Clc1nccc(NC[C@@H]2CCCCO2)n1 ZINC000051850153 385956780 /nfs/dbraw/zinc/95/67/80/385956780.db2.gz YUEUKSDZXTTWKX-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(F)c1O ZINC000261279829 386014201 /nfs/dbraw/zinc/01/42/01/386014201.db2.gz OHJDLUVCHZTMQL-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN COC(=O)Cc1c(Cl)c(F)ccc1OC ZINC000261219373 386015004 /nfs/dbraw/zinc/01/50/04/386015004.db2.gz MLQYAQGJKWCAOI-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(OC)c1O ZINC000261236557 386018176 /nfs/dbraw/zinc/01/81/76/386018176.db2.gz XHAKETXNJXGNLT-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CC[S@@](=O)Nc1ccc(O)cc1Cl ZINC000306848654 386019864 /nfs/dbraw/zinc/01/98/64/386019864.db2.gz MVIAUJNSWWKXEE-CYBMUJFWSA-N 0 0 219.693 2.141 10 0 BEAERN O=C(c1nc(Br)cs1)C(F)F ZINC000306848736 386022256 /nfs/dbraw/zinc/02/22/56/386022256.db2.gz MBQAPIUQIZXYTJ-UHFFFAOYSA-N 0 0 242.044 2.353 10 0 BEAERN COC(=O)c1cc(OC)nc2cccc(C)c21 ZINC000261507113 386027348 /nfs/dbraw/zinc/02/73/48/386027348.db2.gz FLIKXMWCFROJQZ-UHFFFAOYSA-N 0 0 231.251 2.338 10 0 BEAERN O=Cc1ccc(C(F)(F)F)c2n[nH]cc21 ZINC000261507071 386027489 /nfs/dbraw/zinc/02/74/89/386027489.db2.gz DYSNXAIPWROQPX-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000345180972 386049034 /nfs/dbraw/zinc/04/90/34/386049034.db2.gz AQGXAXICFGEBKD-GRYCIOLGSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1ccc([C@H](C)NCc2nc(C)no2)o1 ZINC000037980952 386107146 /nfs/dbraw/zinc/10/71/46/386107146.db2.gz QPHDTYNCPKADJG-QMMMGPOBSA-N 0 0 221.260 2.130 10 0 BEAERN O=C(c1ccc(=O)[nH]c1)N1CCC12CCCCC2 ZINC000365471936 386113833 /nfs/dbraw/zinc/11/38/33/386113833.db2.gz LTDZKBMOADHFEU-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccc(Br)cn1 ZINC000307726744 386121103 /nfs/dbraw/zinc/12/11/03/386121103.db2.gz CMVCKNRHWAZAFR-RNFRBKRXSA-N 0 0 245.120 2.025 10 0 BEAERN COC(=O)C1C[C@H]2CCC[C@@H](C1)C2F ZINC000606304377 386078701 /nfs/dbraw/zinc/07/87/01/386078701.db2.gz XWZVIJBNELCTGQ-BQKDNTBBSA-N 0 0 200.253 2.324 10 0 BEAERN C[C@@H](NC(=O)c1ccc(Cl)o1)[C@@H]1CCCO1 ZINC000027890640 386134366 /nfs/dbraw/zinc/13/43/66/386134366.db2.gz FOLHMMRDQMUVSD-SFYZADRCSA-N 0 0 243.690 2.230 10 0 BEAERN O=C1C[C@H](c2cc(Cl)sc2Cl)NN1 ZINC000575578299 386214602 /nfs/dbraw/zinc/21/46/02/386214602.db2.gz QGKOMXHXRNHADI-SCSAIBSYSA-N 0 0 237.111 2.121 10 0 BEAERN C[C@@H]1C[C@@]1(C)Nc1ccncc1Br ZINC000575580871 386230135 /nfs/dbraw/zinc/23/01/35/386230135.db2.gz ZKHURPLKSRYMSB-GMSGAONNSA-N 0 0 241.132 2.476 10 0 BEAERN Cc1c(F)ccc(Cl)c1NC(N)=O ZINC000307375051 386243465 /nfs/dbraw/zinc/24/34/65/386243465.db2.gz UTDQDBGMMZKJIT-UHFFFAOYSA-N 0 0 202.616 2.278 10 0 BEAERN CCc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(O)c1 ZINC000190998047 386194752 /nfs/dbraw/zinc/19/47/52/386194752.db2.gz FOBFQHCOEVGNSI-GZMMTYOYSA-N 0 0 219.284 2.093 10 0 BEAERN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)[C@@H]1C[C@@H]1C ZINC000414394772 386282892 /nfs/dbraw/zinc/28/28/92/386282892.db2.gz PUBDVXLTIBKIAV-ZRUFSTJUSA-N 0 0 227.348 2.351 10 0 BEAERN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)C1)[C@H]1CCCO1 ZINC000408405472 386340008 /nfs/dbraw/zinc/34/00/08/386340008.db2.gz JOJIHTIEHBXRQD-WISYIIOYSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)=CCNC(=O)c1cc(N)cs1 ZINC000307235778 386446406 /nfs/dbraw/zinc/44/64/06/386446406.db2.gz FRZIYAKADUISAY-UHFFFAOYSA-N 0 0 210.302 2.026 10 0 BEAERN CC1(C)CCN1c1ccc(Br)nn1 ZINC000575600363 386400894 /nfs/dbraw/zinc/40/08/94/386400894.db2.gz SPCPMICYHJAQBB-UHFFFAOYSA-N 0 0 242.120 2.228 10 0 BEAERN CN=[S@@](C)(=O)c1cc(F)ccc1F ZINC000521399284 386424435 /nfs/dbraw/zinc/42/44/35/386424435.db2.gz AWBWCYUGTAOHCF-ZDUSSCGKSA-N 0 0 205.229 2.051 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3O[C@H]3C[C@@H]2C1 ZINC000521399244 386428251 /nfs/dbraw/zinc/42/82/51/386428251.db2.gz FQAOKXBZPVNBJE-CKIJPRSSSA-N 0 0 239.315 2.031 10 0 BEAERN CN=[S@@](C)(=O)c1cccc(Cl)c1 ZINC000521399416 386430740 /nfs/dbraw/zinc/43/07/40/386430740.db2.gz NPHZXNJRWFJLJY-LBPRGKRZSA-N 0 0 203.694 2.427 10 0 BEAERN CC[S@@](=N)(=O)c1nnc(-c2ccccc2)o1 ZINC000521399891 386433464 /nfs/dbraw/zinc/43/34/64/386433464.db2.gz YLJLCBOHDXMRGM-MRXNPFEDSA-N 0 0 237.284 2.162 10 0 BEAERN Nc1csc(C2CCSCC2)n1 ZINC000299890064 386498021 /nfs/dbraw/zinc/49/80/21/386498021.db2.gz TUBPVMMIXJHBST-UHFFFAOYSA-N 0 0 200.332 2.336 10 0 BEAERN CC(C)(C)OC(=O)Nc1nccnc1Cl ZINC000299889542 386498156 /nfs/dbraw/zinc/49/81/56/386498156.db2.gz KUOZXVQLQMLVGK-UHFFFAOYSA-N 0 0 229.667 2.477 10 0 BEAERN Cc1cnc(C(=O)OC(C)(C)C)c(O)c1 ZINC000299889497 386498291 /nfs/dbraw/zinc/49/82/91/386498291.db2.gz KETAUYSNIKWNCR-UHFFFAOYSA-N 0 0 209.245 2.051 10 0 BEAERN c1sc(NC2CC2)nc1[C@@H]1CCOC1 ZINC000122650209 386507386 /nfs/dbraw/zinc/50/73/86/386507386.db2.gz GMIOECDCZWPQML-SSDOTTSWSA-N 0 0 210.302 2.221 10 0 BEAERN Brc1cccnc1CNC1CC1 ZINC000231758491 386527879 /nfs/dbraw/zinc/52/78/79/386527879.db2.gz KHWDNCHKSDZVII-UHFFFAOYSA-N 0 0 227.105 2.096 10 0 BEAERN CC1([C@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F)CC1 ZINC000521401163 386455124 /nfs/dbraw/zinc/45/51/24/386455124.db2.gz GEEMPKQPMBVBLZ-RNFRBKRXSA-N 0 0 239.237 2.157 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)CC1CCCCC1 ZINC000399216272 386458323 /nfs/dbraw/zinc/45/83/23/386458323.db2.gz UEUVKOHFKWFLCO-AAEUAGOBSA-N 0 0 239.359 2.329 10 0 BEAERN CCC[C@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521401760 386462956 /nfs/dbraw/zinc/46/29/56/386462956.db2.gz NXEGKEJMJYQCQK-RQJHMYQMSA-N 0 0 227.226 2.157 10 0 BEAERN CCC[C@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521401757 386463195 /nfs/dbraw/zinc/46/31/95/386463195.db2.gz NXEGKEJMJYQCQK-BQBZGAKWSA-N 0 0 227.226 2.157 10 0 BEAERN CC(C)(C)[C@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521401773 386463407 /nfs/dbraw/zinc/46/34/07/386463407.db2.gz OXOSSQSXIJTZSH-RNFRBKRXSA-N 0 0 241.253 2.403 10 0 BEAERN Cc1c(C#N)cc(OC(F)F)cc1C=O ZINC000575642154 386579262 /nfs/dbraw/zinc/57/92/62/386579262.db2.gz YSSOATWYWNCIEB-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CCOc1cc(F)c(C(C)=O)c(C#N)c1 ZINC000575643107 386579999 /nfs/dbraw/zinc/57/99/99/386579999.db2.gz MTTQUGUVPOEIJP-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(C(C)=O)c(F)cc1C#N ZINC000575644488 386585182 /nfs/dbraw/zinc/58/51/82/386585182.db2.gz YFAOKMCJPLHHBB-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN c1coc(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245545845 386594869 /nfs/dbraw/zinc/59/48/69/386594869.db2.gz UMPDKQKKXVHSJS-OLZOCXBDSA-N 0 0 221.300 2.423 10 0 BEAERN CC(C)[N@@H+]1CCO[C@H](c2ccc(CO)cc2)CC1 ZINC000616593187 386542115 /nfs/dbraw/zinc/54/21/15/386542115.db2.gz JSXALRRQAJAGQT-HNNXBMFYSA-N 0 0 249.354 2.351 10 0 BEAERN Cc1c([N+](=O)[O-])ccc(N)c1OC(F)(F)F ZINC000575637646 386551563 /nfs/dbraw/zinc/55/15/63/386551563.db2.gz GUBSLXVEOIGSDL-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1cc([N+](=O)[O-])c(CO)cc1C(F)(F)F ZINC000575637826 386554347 /nfs/dbraw/zinc/55/43/47/386554347.db2.gz IFCNCYHLTJUMJZ-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1c(N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575638492 386555882 /nfs/dbraw/zinc/55/58/82/386555882.db2.gz UGTSSOBXKBCTKC-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COc1ccc(C#N)c(C(C)=O)c1OC(F)F ZINC000575638719 386556293 /nfs/dbraw/zinc/55/62/93/386556293.db2.gz AEKJJVDZAMRNST-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(C#N)c(CO)c(OC(F)F)c1 ZINC000575639054 386558362 /nfs/dbraw/zinc/55/83/62/386558362.db2.gz NDPAZPQXKIXXKB-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1cc(N)c(C)cc1OC(F)(F)F ZINC000575640834 386570060 /nfs/dbraw/zinc/57/00/60/386570060.db2.gz PPRYZWNIKXBGCF-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CC[S@](=O)Nc1ccc(O)c(Cl)c1 ZINC000307413939 386648093 /nfs/dbraw/zinc/64/80/93/386648093.db2.gz JDAUGYPZTQHMFQ-ZDUSSCGKSA-N 0 0 219.693 2.141 10 0 BEAERN CC[S@@](=O)Nc1cnc(Cl)cc1C ZINC000307428439 386650361 /nfs/dbraw/zinc/65/03/61/386650361.db2.gz AKBHDFSQPAEHDD-CYBMUJFWSA-N 0 0 218.709 2.139 10 0 BEAERN CC(C)[S@@](=O)Nc1ccnc(Cl)c1 ZINC000307423493 386652412 /nfs/dbraw/zinc/65/24/12/386652412.db2.gz PKMWIEUSVFTZMF-CYBMUJFWSA-N 0 0 218.709 2.219 10 0 BEAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC1 ZINC000111899096 386600740 /nfs/dbraw/zinc/60/07/40/386600740.db2.gz VOAKMRWWQIMSCB-ZWNOBZJWSA-N 0 0 230.311 2.335 10 0 BEAERN CCCn1nccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329472537 386682701 /nfs/dbraw/zinc/68/27/01/386682701.db2.gz ZMOZWTDZDKUNEY-QWRGUYRKSA-N 0 0 248.330 2.309 10 0 BEAERN CCCn1nccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000329472535 386680780 /nfs/dbraw/zinc/68/07/80/386680780.db2.gz ZMOZWTDZDKUNEY-GHMZBOCLSA-N 0 0 248.330 2.309 10 0 BEAERN C[C@@H](CO)N(C)c1ncc(Cl)cc1Cl ZINC000124577120 386658395 /nfs/dbraw/zinc/65/83/95/386658395.db2.gz BDDTVJXPIROSOC-LURJTMIESA-N 0 0 235.114 2.205 10 0 BEAERN CCOC(=O)c1cccc(OC(F)(F)F)c1N ZINC000575339105 386686492 /nfs/dbraw/zinc/68/64/92/386686492.db2.gz IPBNMEGIOZSXKC-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CC2(C1)CCCOC2 ZINC000335478025 386703150 /nfs/dbraw/zinc/70/31/50/386703150.db2.gz MCHYNDZCKBOTOY-VXGBXAGGSA-N 0 0 237.343 2.062 10 0 BEAERN COC(=O)CCCC(=O)c1ccccc1N(C)C ZINC000575358273 386733843 /nfs/dbraw/zinc/73/38/43/386733843.db2.gz OCTSZFKXGSWMNU-UHFFFAOYSA-N 0 0 249.310 2.279 10 0 BEAERN CC(C)(CO)S[C@H]1CCCC(=O)C1 ZINC000307583246 386734518 /nfs/dbraw/zinc/73/45/18/386734518.db2.gz XYUMZZAATQQBMO-VIFPVBQESA-N 0 0 202.319 2.002 10 0 BEAERN O=C(c1cc[nH]n1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114435382 386747986 /nfs/dbraw/zinc/74/79/86/386747986.db2.gz DDCZBPHBWBMOCH-AWEZNQCLSA-N 0 0 245.326 2.372 10 0 BEAERN CO[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000575448856 386759570 /nfs/dbraw/zinc/75/95/70/386759570.db2.gz NOSOXHCFJSKCFA-VIFPVBQESA-N 0 0 248.095 2.062 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@H]1CCO[C@H]1C ZINC000408442839 386761922 /nfs/dbraw/zinc/76/19/22/386761922.db2.gz LPFDGDONIOJWBC-QWRGUYRKSA-N 0 0 242.363 2.145 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000344854872 386763468 /nfs/dbraw/zinc/76/34/68/386763468.db2.gz RLJXPPZDSMNLME-MROQNXINSA-N 0 0 239.359 2.042 10 0 BEAERN c1cnc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000301157260 386820081 /nfs/dbraw/zinc/82/00/81/386820081.db2.gz CMMQXRKSPQXFTB-WDEREUQCSA-N 0 0 203.289 2.246 10 0 BEAERN COC(=O)Cc1ccnc(C)c1OC(F)(F)F ZINC000575375129 386798785 /nfs/dbraw/zinc/79/87/85/386798785.db2.gz PNUDTGLVAVCVDO-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cnc(OC(F)(F)F)c(C)c1 ZINC000575375090 386799546 /nfs/dbraw/zinc/79/95/46/386799546.db2.gz MKIRROMVNDKLIU-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1cnc(C)cc1OC(F)(F)F ZINC000575375112 386800907 /nfs/dbraw/zinc/80/09/07/386800907.db2.gz OBOXPZKONXUWEK-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN O=C(c1ccc(Cl)cc1)N1CCCO1 ZINC000125459303 386844699 /nfs/dbraw/zinc/84/46/99/386844699.db2.gz IZCMTCJJPLLNEF-UHFFFAOYSA-N 0 0 211.648 2.118 10 0 BEAERN Cc1cnc(N[C@H]2CCCCC[C@@H]2CO)nc1 ZINC000301855660 386884640 /nfs/dbraw/zinc/88/46/40/386884640.db2.gz YTOHLBOJKWCLMC-NEPJUHHUSA-N 0 0 235.331 2.138 10 0 BEAERN Cc1cnc(N[C@@H]2CCCCC[C@H]2CO)nc1 ZINC000301855661 386884809 /nfs/dbraw/zinc/88/48/09/386884809.db2.gz YTOHLBOJKWCLMC-NWDGAFQWSA-N 0 0 235.331 2.138 10 0 BEAERN Cc1cnc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)nc1 ZINC000301843684 386884844 /nfs/dbraw/zinc/88/48/44/386884844.db2.gz RQTKGFXAWTVMIW-IJLUTSLNSA-N 0 0 247.342 2.035 10 0 BEAERN Cc1cnc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)nc1 ZINC000301843685 386885539 /nfs/dbraw/zinc/88/55/39/386885539.db2.gz RQTKGFXAWTVMIW-QJPTWQEYSA-N 0 0 247.342 2.035 10 0 BEAERN O=C(C1CC1)N1CCC[C@@H]1c1ccco1 ZINC000116046966 386911412 /nfs/dbraw/zinc/91/14/12/386911412.db2.gz FGFVKIUZVXAWOX-SNVBAGLBSA-N 0 0 205.257 2.353 10 0 BEAERN Cn1cc(Oc2nc3ccccc3o2)cn1 ZINC000302277544 386920639 /nfs/dbraw/zinc/92/06/39/386920639.db2.gz IKHFVDMPGUHYFO-UHFFFAOYSA-N 0 0 215.212 2.354 10 0 BEAERN CO[C@H](C)c1cccc(N[C@@H]2CCN(C)C2=O)c1 ZINC000116391484 386944133 /nfs/dbraw/zinc/94/41/33/386944133.db2.gz OVEDPFDBQDXXLN-ZWNOBZJWSA-N 0 0 248.326 2.037 10 0 BEAERN COc1ccccc1[C@@]1(O)CCSC1 ZINC000084390790 386944449 /nfs/dbraw/zinc/94/44/49/386944449.db2.gz YUOOHRQNXZYTAB-LLVKDONJSA-N 0 0 210.298 2.020 10 0 BEAERN Fc1ccccc1COC[C@@H]1CCCO1 ZINC000575191226 386977767 /nfs/dbraw/zinc/97/77/67/386977767.db2.gz SFNAYDCAFBNVMX-NSHDSACASA-N 0 0 209.240 2.335 10 0 BEAERN CCCCC[C@H](C)NC(=O)[C@@H]1CC(F)(F)CN1 ZINC000368486173 386979123 /nfs/dbraw/zinc/97/91/23/386979123.db2.gz MCIGLPQTWLTCQC-UWVGGRQHSA-N 0 0 248.317 2.069 10 0 BEAERN Fc1ccccc1CN1CCSCC1 ZINC000575191187 386981370 /nfs/dbraw/zinc/98/13/70/386981370.db2.gz MGCXUISWMUZPCJ-UHFFFAOYSA-N 0 0 210.297 2.188 10 0 BEAERN C[C@](N)(c1cscn1)c1cccs1 ZINC000575575152 386991825 /nfs/dbraw/zinc/99/18/25/386991825.db2.gz DFWXUTRDJOZVAL-VIFPVBQESA-N 0 0 210.327 2.427 10 0 BEAERN CC(C)CCC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398821324 387001136 /nfs/dbraw/zinc/00/11/36/387001136.db2.gz ZJCDXBISTQESSA-YNEHKIRRSA-N 0 0 239.359 2.042 10 0 BEAERN COC(=O)c1c(OC)cnc2ccc(OC)cc21 ZINC000575419789 387031080 /nfs/dbraw/zinc/03/10/80/387031080.db2.gz SWSBMWMPJCZJBS-UHFFFAOYSA-N 0 0 247.250 2.039 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1CCCc2cncn21 ZINC000575419782 387031177 /nfs/dbraw/zinc/03/11/77/387031177.db2.gz YUECRCGGGOESPJ-JTQLQIEISA-N 0 0 222.288 2.102 10 0 BEAERN COC(=O)c1c(OC)cnc2ccc(C)cc21 ZINC000575419764 387031236 /nfs/dbraw/zinc/03/12/36/387031236.db2.gz LVNHTGYKYRSYBF-UHFFFAOYSA-N 0 0 231.251 2.338 10 0 BEAERN C[C@@H]1CC[C@@H](n2cnn(C(C)(C)C)c2=O)C1 ZINC000334953918 387032675 /nfs/dbraw/zinc/03/26/75/387032675.db2.gz ACHKVYPRILCFNF-NXEZZACHSA-N 0 0 223.320 2.161 10 0 BEAERN C[C@H]1CS[C@@H](c2cncc(Cl)c2)N1 ZINC000575577301 387035561 /nfs/dbraw/zinc/03/55/61/387035561.db2.gz PORQGGDQCVNTFK-RCOVLWMOSA-N 0 0 214.721 2.459 10 0 BEAERN CCOc1c(OC)cc(O)cc1OC(F)F ZINC000575655737 387039310 /nfs/dbraw/zinc/03/93/10/387039310.db2.gz IAPWKVFNTAUUNC-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CC(C)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251407205 387042519 /nfs/dbraw/zinc/04/25/19/387042519.db2.gz NAPCCAHFOLFWRQ-UONOGXRCSA-N 0 0 247.338 2.475 10 0 BEAERN CCOc1cc(O)cc(OC)c1OC(F)F ZINC000575657287 387044590 /nfs/dbraw/zinc/04/45/90/387044590.db2.gz RYVMQFZYEZPPGY-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN C[C@H]1C[C@H]1Nc1ncnc(F)c1Br ZINC000575464108 387044761 /nfs/dbraw/zinc/04/47/61/387044761.db2.gz VQTVRNSVAYCGIY-CRCLSJGQSA-N 0 0 246.083 2.199 10 0 BEAERN O[C@@H](Cc1ccccn1)c1cccs1 ZINC000040237808 387045054 /nfs/dbraw/zinc/04/50/54/387045054.db2.gz QDNYXJHVYLFVHM-JTQLQIEISA-N 0 0 205.282 2.419 10 0 BEAERN CCc1cc(CO)c(OC)cc1OC(F)F ZINC000575657532 387046424 /nfs/dbraw/zinc/04/64/24/387046424.db2.gz NPAMVSOBXNOIOO-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1cc(OC(F)F)c(CO)cc1OC ZINC000575658411 387048042 /nfs/dbraw/zinc/04/80/42/387048042.db2.gz TYCIXSNHGFFMIT-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCc1ccc(OC(F)F)c(OC)c1CO ZINC000575659104 387049455 /nfs/dbraw/zinc/04/94/55/387049455.db2.gz VMGLLXSUJONLAO-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Cc1cc(F)c(OC(F)F)cc1CO ZINC000575660927 387051416 /nfs/dbraw/zinc/05/14/16/387051416.db2.gz DDKNXIUPZUBFCF-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COc1c(F)ccc(C=O)c1OC(F)F ZINC000575660276 387054282 /nfs/dbraw/zinc/05/42/82/387054282.db2.gz QYVUAZREFDHEHI-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN Nc1nc(Cl)nc2c(Cl)cc(F)cc12 ZINC000575432143 387055703 /nfs/dbraw/zinc/05/57/03/387055703.db2.gz ILZZQZXHHVNTHD-UHFFFAOYSA-N 0 0 232.045 2.488 10 0 BEAERN C[C@H]1CC[C@@H](n2ccc(=O)c3cnn(C)c32)C1 ZINC000334971211 387057067 /nfs/dbraw/zinc/05/70/67/387057067.db2.gz YDOXODOSDCBVPH-VHSXEESVSA-N 0 0 231.299 2.096 10 0 BEAERN O=Cc1cccc2ccn(C3COC3)c21 ZINC000575434444 387057471 /nfs/dbraw/zinc/05/74/71/387057471.db2.gz YNOBCFALDZMKJW-UHFFFAOYSA-N 0 0 201.225 2.025 10 0 BEAERN O=C1C[C@H]2C[C@@H]1[C@H](c1nc(CC3CCC3)no1)C2 ZINC000333843305 387058368 /nfs/dbraw/zinc/05/83/68/387058368.db2.gz LRRPOIRWDDQGLS-HBNTYKKESA-N 0 0 246.310 2.495 10 0 BEAERN COc1cc(OC(F)F)c(C(C)=O)cc1C=O ZINC000575661138 387064103 /nfs/dbraw/zinc/06/41/03/387064103.db2.gz FYJBPDFEMPHFLS-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN S=c1[nH]nc(-c2occc2Br)[nH]1 ZINC000575458286 387024674 /nfs/dbraw/zinc/02/46/74/387024674.db2.gz DMMOOQUNOMAHFP-UHFFFAOYSA-N 0 0 246.089 2.116 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC1CC1 ZINC000117619495 387025230 /nfs/dbraw/zinc/02/52/30/387025230.db2.gz PXNDPVUVBVAFQF-HZMBPMFUSA-N 0 0 245.322 2.420 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC1CC1 ZINC000117619492 387025274 /nfs/dbraw/zinc/02/52/74/387025274.db2.gz PXNDPVUVBVAFQF-YGRLFVJLSA-N 0 0 245.322 2.420 10 0 BEAERN c1nscc1NC[C@H]1CCSC1 ZINC000575458454 387025990 /nfs/dbraw/zinc/02/59/90/387025990.db2.gz XQBBKGMQBXFIDX-SSDOTTSWSA-N 0 0 200.332 2.308 10 0 BEAERN O=C1COC[C@H]1c1ccc(Br)cc1 ZINC000575456402 387027080 /nfs/dbraw/zinc/02/70/80/387027080.db2.gz JOIPJNWYYHQMEH-VIFPVBQESA-N 0 0 241.084 2.132 10 0 BEAERN COC(=O)c1cc(C2CCC2)sc1N ZINC000199801975 387028178 /nfs/dbraw/zinc/02/81/78/387028178.db2.gz PUMIJEPSMGVTRF-UHFFFAOYSA-N 0 0 211.286 2.384 10 0 BEAERN O=C1CCCC[C@@H](c2nc(C3CCCC3)no2)N1 ZINC000193305102 387077192 /nfs/dbraw/zinc/07/71/92/387077192.db2.gz YVOAEXZIVPDNTR-JTQLQIEISA-N 0 0 249.314 2.459 10 0 BEAERN Cc1ccc([C@@H](C)N[C@H](C)c2nnc(C)[nH]2)o1 ZINC000392423364 387079613 /nfs/dbraw/zinc/07/96/13/387079613.db2.gz SMTYFGXPQGALAR-RKDXNWHRSA-N 0 0 234.303 2.426 10 0 BEAERN Cn1ncc(Cl)c1-c1nnc(Cl)s1 ZINC000575469087 387086654 /nfs/dbraw/zinc/08/66/54/387086654.db2.gz IDZNAVOVPTVAND-UHFFFAOYSA-N 0 0 235.099 2.245 10 0 BEAERN C[C@H](CO)[C@H](C)Nc1nc2ccccc2n1C ZINC000127231800 387099338 /nfs/dbraw/zinc/09/93/38/387099338.db2.gz XHJHMXOLRUWIDE-ZJUUUORDSA-N 0 0 233.315 2.002 10 0 BEAERN C[C@H](CCC1CC1)[NH2+][C@@H]1CCCn2ncnc21 ZINC000186377387 387099756 /nfs/dbraw/zinc/09/97/56/387099756.db2.gz DYWUREGEHBOSSL-ZYHUDNBSSA-N 0 0 234.347 2.281 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1nc2ccccc2s1 ZINC000119138130 387101877 /nfs/dbraw/zinc/10/18/77/387101877.db2.gz XGPVJDIHKHBXEM-VXNVDRBHSA-N 0 0 232.308 2.435 10 0 BEAERN O[C@@H]1CC[C@@H]1Nc1ccccc1Br ZINC000575471060 387106145 /nfs/dbraw/zinc/10/61/45/387106145.db2.gz QVALRFCVYKYWAD-VHSXEESVSA-N 0 0 242.116 2.384 10 0 BEAERN COc1cc(C=O)c(OC(F)F)c(C(C)=O)c1 ZINC000575661499 387109473 /nfs/dbraw/zinc/10/94/73/387109473.db2.gz LOJPXOZIYRJBGZ-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN COc1ccccc1C1(CO)CCCC1 ZINC000084383630 387155156 /nfs/dbraw/zinc/15/51/56/387155156.db2.gz NKWSTXRABQEENE-UHFFFAOYSA-N 0 0 206.285 2.499 10 0 BEAERN CC(=O)c1cc(C=O)cc(O)c1OC(F)F ZINC000575662214 387156604 /nfs/dbraw/zinc/15/66/04/387156604.db2.gz ZPLANAXKKYZNIP-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN CCOC(=O)c1cc(C=O)ccc1Cl ZINC000261134700 387159694 /nfs/dbraw/zinc/15/96/94/387159694.db2.gz MTJQYJLUSRLEIL-UHFFFAOYSA-N 0 0 212.632 2.329 10 0 BEAERN C[C@H]1CCc2nc(-c3ccccc3)cc(=O)n21 ZINC000536949631 387160526 /nfs/dbraw/zinc/16/05/26/387160526.db2.gz AYXUNRLAKIOKAN-JTQLQIEISA-N 0 0 226.279 2.418 10 0 BEAERN Cn1ncc(NC2CCC2)c1Br ZINC000575478413 387163025 /nfs/dbraw/zinc/16/30/25/387163025.db2.gz DWMXDTWWZJMSPY-UHFFFAOYSA-N 0 0 230.109 2.147 10 0 BEAERN O=C1NC[C@H](c2cccc(F)c2)C12CCC2 ZINC000536951497 387163346 /nfs/dbraw/zinc/16/33/46/387163346.db2.gz RUQRGYRFCVNTJH-LLVKDONJSA-N 0 0 219.259 2.209 10 0 BEAERN C[C@@H]1Cc2nc(-c3ccccc3)cc(=O)n2C1 ZINC000536951559 387163555 /nfs/dbraw/zinc/16/35/55/387163555.db2.gz SOJLEBTZNKOUMA-SNVBAGLBSA-N 0 0 226.279 2.103 10 0 BEAERN Cc1cc(OC(F)F)cc(F)c1CO ZINC000575661980 387164110 /nfs/dbraw/zinc/16/41/10/387164110.db2.gz YBBGGGIODZDEIL-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CC(C)n1nccc1[C@@H]1CNC(=O)C12CCCC2 ZINC000536954808 387168015 /nfs/dbraw/zinc/16/80/15/387168015.db2.gz USFLECYAYMQOSI-NSHDSACASA-N 0 0 247.342 2.238 10 0 BEAERN C[C@H]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536956549 387168926 /nfs/dbraw/zinc/16/89/26/387168926.db2.gz ZCPBBEOXWYLSRF-TVQRCGJNSA-N 0 0 236.315 2.431 10 0 BEAERN CC[C@@H]1CC[C@@]2(c3ccnn3C)O[C@H]2C1 ZINC000536957290 387170675 /nfs/dbraw/zinc/17/06/75/387170675.db2.gz BVVWRJBIRMNWHF-USWWRNFRSA-N 0 0 206.289 2.224 10 0 BEAERN C[C@@H](C(=O)N1CCCC[C@H](CO)C1)C(C)(C)C ZINC000370674080 387134638 /nfs/dbraw/zinc/13/46/38/387134638.db2.gz SAUPUPFCJUHAFH-RYUDHWBXSA-N 0 0 241.375 2.290 10 0 BEAERN COCc1csc(NC(=O)C2CCCC2)n1 ZINC000115245193 387135593 /nfs/dbraw/zinc/13/55/93/387135593.db2.gz GLOVNTXBUIUYLR-UHFFFAOYSA-N 0 0 240.328 2.418 10 0 BEAERN C[C@@H](C(=O)N1CC[C@H](CCO)C1)c1ccccc1 ZINC000229009078 387136991 /nfs/dbraw/zinc/13/69/91/387136991.db2.gz YNXKDCNCMWRNQL-CHWSQXEVSA-N 0 0 247.338 2.021 10 0 BEAERN Ic1cccc2cnoc21 ZINC000575441844 387138574 /nfs/dbraw/zinc/13/85/74/387138574.db2.gz CXQYXDSXWJAPTR-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN CCC[C@H](CCO)CNC(=O)[C@H]1CCC[C@H]1C ZINC000300419439 387209978 /nfs/dbraw/zinc/20/99/78/387209978.db2.gz WJHRUYOTRZUJND-UPJWGTAASA-N 0 0 241.375 2.338 10 0 BEAERN CCCCN(CCO)C(=O)[C@H]1CCC[C@@H]1C ZINC000230169852 387238129 /nfs/dbraw/zinc/23/81/29/387238129.db2.gz MBZNFRKGJOWBKK-RYUDHWBXSA-N 0 0 227.348 2.044 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@@H]1C ZINC000230170042 387238167 /nfs/dbraw/zinc/23/81/67/387238167.db2.gz UYLNOOVHVODAPO-XVKPBYJWSA-N 0 0 221.304 2.401 10 0 BEAERN Cc1n[nH]cc1CCCNC(=O)[C@H]1CCC[C@@H]1C ZINC000230170437 387238694 /nfs/dbraw/zinc/23/86/94/387238694.db2.gz GUTFTYTUJVUQJP-GWCFXTLKSA-N 0 0 249.358 2.203 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1 ZINC000230174994 387239802 /nfs/dbraw/zinc/23/98/02/387239802.db2.gz VEEPAYHXYSSRKA-MFKMUULPSA-N 0 0 233.311 2.445 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1 ZINC000230174998 387240243 /nfs/dbraw/zinc/24/02/43/387240243.db2.gz VEEPAYHXYSSRKA-GWCFXTLKSA-N 0 0 233.311 2.445 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000230173585 387240248 /nfs/dbraw/zinc/24/02/48/387240248.db2.gz VIFCCCSWEDRCHU-LPWJVIDDSA-N 0 0 239.359 2.090 10 0 BEAERN CCN(CC(C)(C)O)C(=O)[C@@H]1CCC[C@@H]1C ZINC000230173894 387240727 /nfs/dbraw/zinc/24/07/27/387240727.db2.gz VRBDTJGJGATODA-WDEREUQCSA-N 0 0 227.348 2.042 10 0 BEAERN Cc1cccc(C)c1C(=O)N1CC[C@H](CCO)C1 ZINC000230186583 387242527 /nfs/dbraw/zinc/24/25/27/387242527.db2.gz CUTSXQSCZWMRFY-CYBMUJFWSA-N 0 0 247.338 2.148 10 0 BEAERN CC[C@H](C)CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000188003851 387244349 /nfs/dbraw/zinc/24/43/49/387244349.db2.gz GAORYKQZVFYNGF-DCAQKATOSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1cc(C=O)c(O)c(OC(F)F)c1 ZINC000575662577 387194966 /nfs/dbraw/zinc/19/49/66/387194966.db2.gz BJKULIVISPMLSV-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN CC(C)NC(=O)[C@@H]1CCCSCC1 ZINC000575484073 387195038 /nfs/dbraw/zinc/19/50/38/387195038.db2.gz HNGGQRUKLWEMPS-SECBINFHSA-N 0 0 201.335 2.044 10 0 BEAERN CCOc1cc(O)cc(CO)c1C(F)F ZINC000575667206 387314989 /nfs/dbraw/zinc/31/49/89/387314989.db2.gz MQIXPJFXKQKDTC-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN COc1cc(CO)c(OC(F)F)cc1C ZINC000575665588 387315478 /nfs/dbraw/zinc/31/54/78/387315478.db2.gz QJHFKQGHVQAABM-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1c(C)cc(C=O)cc1OC(F)F ZINC000575665656 387315653 /nfs/dbraw/zinc/31/56/53/387315653.db2.gz SBQJJJKKHYFOBA-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN CSCCCCCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000188159000 387255256 /nfs/dbraw/zinc/25/52/56/387255256.db2.gz YYMZOHKBYPXNOG-MNOVXSKESA-N 0 0 245.388 2.203 10 0 BEAERN CON(C)c1c(N)cccc1Br ZINC000575490771 387263553 /nfs/dbraw/zinc/26/35/53/387263553.db2.gz TZYYDSFIFXXJDL-UHFFFAOYSA-N 0 0 231.093 2.029 10 0 BEAERN O=C(c1ccc(F)cc1)N1CC[C@H]2OCC[C@H]2C1 ZINC000373297906 387356451 /nfs/dbraw/zinc/35/64/51/387356451.db2.gz CKVYPUKYZZLELZ-WCQYABFASA-N 0 0 249.285 2.077 10 0 BEAERN O[C@@H](c1ccc(Br)nc1)C(F)F ZINC000575601409 387360459 /nfs/dbraw/zinc/36/04/59/387360459.db2.gz FLHZRBHHEKRYSF-LURJTMIESA-N 0 0 238.031 2.143 10 0 BEAERN Nc1cc(-c2occc2Br)on1 ZINC000575507971 387370113 /nfs/dbraw/zinc/37/01/13/387370113.db2.gz OCEMWKXFZOYQQH-UHFFFAOYSA-N 0 0 229.033 2.110 10 0 BEAERN [NH3+]Cc1ncoc1-c1occc1Br ZINC000575506354 387373329 /nfs/dbraw/zinc/37/33/29/387373329.db2.gz GFQOBBVWIUYINX-UHFFFAOYSA-N 0 0 243.060 2.156 10 0 BEAERN Cc1cc(C(N)=O)cc(Br)c1C ZINC000575686453 387375282 /nfs/dbraw/zinc/37/52/82/387375282.db2.gz FHDVAQANNWRZSL-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN Cc1c(F)ccc(CO)c1Br ZINC000575689285 387376125 /nfs/dbraw/zinc/37/61/25/387376125.db2.gz AGOYFBPRHPHCPS-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN O=Cc1cc(F)c(C=O)c(Br)c1 ZINC000575689577 387376684 /nfs/dbraw/zinc/37/66/84/387376684.db2.gz SWEDMJLHDOBTRE-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN O=Cc1c(F)ccc(Br)c1C=O ZINC000575689558 387376732 /nfs/dbraw/zinc/37/67/32/387376732.db2.gz RWUQANIDVPSWBK-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN O=Cc1cc(Br)c(C=O)cc1F ZINC000575689668 387377334 /nfs/dbraw/zinc/37/73/34/387377334.db2.gz YZQMZHSYZJITFO-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(O)cc1O ZINC000648604554 387377860 /nfs/dbraw/zinc/37/78/60/387377860.db2.gz PXMHONBPOCVHES-XXILOJSOSA-N 0 0 247.294 2.016 10 0 BEAERN COc1cc(O)cc(C(C)=O)c1Br ZINC000575690548 387381544 /nfs/dbraw/zinc/38/15/44/387381544.db2.gz WKAZJEXKKAABJZ-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN COc1ccc(Cl)c(Cl)c1C(N)=O ZINC000575693674 387382345 /nfs/dbraw/zinc/38/23/45/387382345.db2.gz BCLNJWPVXOJIBA-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN CCc1c(C=O)cc(C(F)F)cc1CO ZINC000575666987 387320991 /nfs/dbraw/zinc/32/09/91/387320991.db2.gz HVLURXWFAWMINA-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCc1cc(C=O)c(C(F)F)cc1CO ZINC000575667602 387321662 /nfs/dbraw/zinc/32/16/62/387321662.db2.gz KQPDZHONQDBPAK-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN Cc1c(C=O)ccc(C(F)F)c1CO ZINC000575669461 387329887 /nfs/dbraw/zinc/32/98/87/387329887.db2.gz WKEWDMORUMPCSK-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN COc1c(C)cc(C(F)F)cc1CO ZINC000575670424 387330693 /nfs/dbraw/zinc/33/06/93/387330693.db2.gz FTKGPGUKPQIMSK-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN CN(C)Nc1c(N)ccc(F)c1Br ZINC000575511053 387383123 /nfs/dbraw/zinc/38/31/23/387383123.db2.gz OYRVEEQIEDPCJB-UHFFFAOYSA-N 0 0 248.099 2.059 10 0 BEAERN COc1c(C)c(CO)ccc1C(F)F ZINC000575671074 387337818 /nfs/dbraw/zinc/33/78/18/387337818.db2.gz LYXAHRCPUAJMMW-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN Cc1cc(C(F)(F)F)c(C)cc1C(N)=O ZINC000575672880 387339138 /nfs/dbraw/zinc/33/91/38/387339138.db2.gz ROBWHKAXRXSZAU-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN Cc1cc(C(F)(F)F)cc(C(N)=O)c1C ZINC000575672746 387339429 /nfs/dbraw/zinc/33/94/29/387339429.db2.gz LJWJJNXAPZYPRD-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN CCOC(=O)Cc1cc(OC)c(C)cc1C ZINC000575672927 387339575 /nfs/dbraw/zinc/33/95/75/387339575.db2.gz URWNXSJCFPXZOW-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN COc1cc(C)cc(CO)c1C(F)F ZINC000575672060 387342332 /nfs/dbraw/zinc/34/23/32/387342332.db2.gz YWNMILSQMIPMEW-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(C(F)F)c(C)cc1CO ZINC000575672051 387342667 /nfs/dbraw/zinc/34/26/67/387342667.db2.gz YMLLSUPXRNWJND-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(O)c(OC(F)(F)F)cc1OC ZINC000575672169 387342782 /nfs/dbraw/zinc/34/27/82/387342782.db2.gz ZMBXRJMIQZLFSH-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN COc1cc(C(N)=O)c(C)cc1C(F)(F)F ZINC000575673577 387344076 /nfs/dbraw/zinc/34/40/76/387344076.db2.gz LBUOIEBJZQNTIK-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN COc1c(C(F)(F)F)ccc(C)c1C(N)=O ZINC000575674493 387345152 /nfs/dbraw/zinc/34/51/52/387345152.db2.gz RBLYWHBRHRYYSB-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN CSCCC(=O)Nc1nc(C)c(C)s1 ZINC000025404148 387350353 /nfs/dbraw/zinc/35/03/53/387350353.db2.gz NBUOUBOMTXIXPZ-UHFFFAOYSA-N 0 0 230.358 2.452 10 0 BEAERN Cc1cnn(CCNC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000121447017 387351649 /nfs/dbraw/zinc/35/16/49/387351649.db2.gz IOOZPQNLXUFVOJ-YPMHNXCESA-N 0 0 249.358 2.134 10 0 BEAERN CN(Cc1ccccc1)c1cc(F)nc(F)n1 ZINC000575599571 387353006 /nfs/dbraw/zinc/35/30/06/387353006.db2.gz MDRVORBGDWBYPF-UHFFFAOYSA-N 0 0 235.237 2.391 10 0 BEAERN Cc1ncsc1-c1cnc(C=O)s1 ZINC000575517140 387426456 /nfs/dbraw/zinc/42/64/56/387426456.db2.gz GGJQRASPKOVQFQ-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Cc1ncsc1C(=O)c1cncs1 ZINC000575516902 387427464 /nfs/dbraw/zinc/42/74/64/387427464.db2.gz AWBDEJPDSBCAGT-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CC(=O)c1cc(N)c(OC(F)F)cc1C ZINC000575716558 387434070 /nfs/dbraw/zinc/43/40/70/387434070.db2.gz FLYCOJOTHAEDFH-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN COc1ccc(OC(F)F)c(N)c1C(C)=O ZINC000575717619 387436020 /nfs/dbraw/zinc/43/60/20/387436020.db2.gz UQIOBLKXMUPGPF-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOC(=O)Cc1c(N)cc(C)cc1CC ZINC000575724472 387438185 /nfs/dbraw/zinc/43/81/85/387438185.db2.gz JLLHMHVJMZOHGM-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN Nc1cc(Cl)c(O)c(OC(F)F)c1 ZINC000575720015 387440335 /nfs/dbraw/zinc/44/03/35/387440335.db2.gz CDQCLVMBSQUYAF-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1c(Cl)c(O)ccc1OC(F)F ZINC000575721200 387442346 /nfs/dbraw/zinc/44/23/46/387442346.db2.gz ZEUNKVHNGLCPPE-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(Cl)cc(N)c1OC(F)F ZINC000575720794 387442782 /nfs/dbraw/zinc/44/27/82/387442782.db2.gz UAXSFEPTTLZYHT-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN C[C@@]1(C[C@@H]2CSCC2=O)CC1(F)F ZINC000575522675 387442829 /nfs/dbraw/zinc/44/28/29/387442829.db2.gz BUDLPNRPSREPDT-HTRCEHHLSA-N 0 0 206.257 2.354 10 0 BEAERN COc1cc(N)c(OC(F)F)cc1C ZINC000575722878 387445992 /nfs/dbraw/zinc/44/59/92/387445992.db2.gz HYITTWALWXLWPH-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOc1cc(OC)c(Br)cc1N ZINC000575722463 387446062 /nfs/dbraw/zinc/44/60/62/387446062.db2.gz LZSZESFWDGVEMU-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COc1cc(N)c(F)c(Br)c1 ZINC000575723326 387446199 /nfs/dbraw/zinc/44/61/99/387446199.db2.gz VQZXKLDUQXSSKV-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CCOc1c(Br)ccc(OC)c1N ZINC000575722801 387446258 /nfs/dbraw/zinc/44/62/58/387446258.db2.gz MVLQYEQECKFJHS-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOc1cc(Br)cc(N)c1OC ZINC000575722993 387446575 /nfs/dbraw/zinc/44/65/75/387446575.db2.gz QJBVORCWNOVUEX-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOc1cc(Br)c(OC)cc1N ZINC000575722780 387446721 /nfs/dbraw/zinc/44/67/21/387446721.db2.gz MQFVUIKZXDZCLO-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(CC)c1F ZINC000575724084 387447472 /nfs/dbraw/zinc/44/74/72/387447472.db2.gz SBHOAEMIPRUHAE-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)Cc1cc(N)c(OCC)cc1C ZINC000575723942 387447615 /nfs/dbraw/zinc/44/76/15/387447615.db2.gz KWZVFVPIKNNLQM-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)Cc1c(C)cc(CC)cc1N ZINC000575724235 387447700 /nfs/dbraw/zinc/44/77/00/387447700.db2.gz BFSBXINQMJVDKB-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCOC(=O)c1cc(C)cc(CC)c1N ZINC000575724243 387447720 /nfs/dbraw/zinc/44/77/20/387447720.db2.gz BOZMPOXTDOQTDT-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CCOC(=O)Cc1cc(OCC)cc(C)c1N ZINC000575724036 387447870 /nfs/dbraw/zinc/44/78/70/387447870.db2.gz QCYMYCPUVFFNJP-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)Cc1cc(OCC)c(C)cc1N ZINC000575724149 387447978 /nfs/dbraw/zinc/44/79/78/387447978.db2.gz WLESCLDFXHUSQA-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN Nc1ccc(N)c(C(F)F)c1OC(F)F ZINC000575723641 387448029 /nfs/dbraw/zinc/44/80/29/387448029.db2.gz ZHOAMBYSQDBOSQ-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN CCOC(=O)c1cc(OCC)cc(N)c1C ZINC000575724133 387448082 /nfs/dbraw/zinc/44/80/82/387448082.db2.gz VPYMVGVLNPSWJR-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOc1c(N)cc(OC)cc1Br ZINC000575723642 387448129 /nfs/dbraw/zinc/44/81/29/387448129.db2.gz YXQLUZZIUCKXRU-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOC(=O)c1cc(F)cc(CC)c1N ZINC000575724147 387448179 /nfs/dbraw/zinc/44/81/79/387448179.db2.gz WGOUNWGQCVPPQK-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1c(N)cc(C)cc1OCC ZINC000575723858 387448238 /nfs/dbraw/zinc/44/82/38/387448238.db2.gz GCTXXBAVTHCOOT-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1ccc(N)c(C(F)(F)F)c1N ZINC000575725102 387459176 /nfs/dbraw/zinc/45/91/76/387459176.db2.gz FNDYOFZNXUFKSS-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160622047 387388618 /nfs/dbraw/zinc/38/86/18/387388618.db2.gz UWWWANHDWVNVGB-SMDDNHRTSA-N 0 0 239.359 2.186 10 0 BEAERN Cn1ncc(Cl)c1[C@@](C)(O)C1CCC1 ZINC000306569203 387397099 /nfs/dbraw/zinc/39/70/99/387397099.db2.gz VZHITVOSOLRUEU-JTQLQIEISA-N 0 0 214.696 2.081 10 0 BEAERN CCOC(=O)Cc1cc(OC)cc(O)c1Cl ZINC000575701055 387405508 /nfs/dbraw/zinc/40/55/08/387405508.db2.gz QZGQYXHGTITCLY-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CSc1cc(C(C)=O)cc(O)c1F ZINC000575702680 387406686 /nfs/dbraw/zinc/40/66/86/387406686.db2.gz GHNACRFBPOKNTL-UHFFFAOYSA-N 0 0 200.234 2.456 10 0 BEAERN CCc1c(C=O)ccc(C(F)(F)F)c1C(N)=O ZINC000575702579 387407124 /nfs/dbraw/zinc/40/71/24/387407124.db2.gz MAQNOOMKUDVHSJ-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN COc1cc(CO)c(F)c(SC)c1 ZINC000575707931 387411892 /nfs/dbraw/zinc/41/18/92/387411892.db2.gz IPDXYKWQROSAPT-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(O)c1C ZINC000575712162 387414977 /nfs/dbraw/zinc/41/49/77/387414977.db2.gz DNDDTJCXAXYAPY-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN Cc1c(F)ccc(C(N)=O)c1C(F)(F)F ZINC000575710791 387415658 /nfs/dbraw/zinc/41/56/58/387415658.db2.gz YEMXVPYKJIUKRQ-UHFFFAOYSA-N 0 0 221.153 2.252 10 0 BEAERN COc1ccc(F)c(C(F)(F)F)c1CO ZINC000575710279 387415690 /nfs/dbraw/zinc/41/56/90/387415690.db2.gz SETSYUIJZYLBNR-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN COC(=O)Cc1c(C)cc(Cl)cc1OC ZINC000575712759 387416195 /nfs/dbraw/zinc/41/61/95/387416195.db2.gz LXXIOPQMYJEZAH-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN CCOC(=O)c1c(N)c(C(F)(F)F)ccc1O ZINC000575724861 387461038 /nfs/dbraw/zinc/46/10/38/387461038.db2.gz MBSYZXARXUIDON-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN O=C(c1ccccc1O)N1C[C@H]2CCC[C@H]21 ZINC000336593466 387419118 /nfs/dbraw/zinc/41/91/18/387419118.db2.gz RXHDDYHXGJGVAL-MWLCHTKSSA-N 0 0 217.268 2.017 10 0 BEAERN O=C(O[C@@H]1CC[C@@H]2C(=O)C[C@H]21)c1ccccc1 ZINC000584599646 387501544 /nfs/dbraw/zinc/50/15/44/387501544.db2.gz GNDYVUUIJUDHMI-DMDPSCGWSA-N 0 0 230.263 2.211 10 0 BEAERN CCn1ccc(=O)c2cc(C(C)=O)ccc21 ZINC000584635080 387506559 /nfs/dbraw/zinc/50/65/59/387506559.db2.gz NHRZRXPFQPFJBB-UHFFFAOYSA-N 0 0 215.252 2.224 10 0 BEAERN Cc1nc2ccccc2n1C[C@H](O)COC(C)C ZINC000005728730 387507362 /nfs/dbraw/zinc/50/73/62/387507362.db2.gz XTLLZXYZFUQTIU-LBPRGKRZSA-N 0 0 248.326 2.131 10 0 BEAERN C[C@@H](O)CCNC(=O)C(C)(C)C1CCCC1 ZINC000122381117 387516868 /nfs/dbraw/zinc/51/68/68/387516868.db2.gz ADSGQDFTZDKJJW-SNVBAGLBSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1cc(F)ccc1F ZINC000399496614 387525620 /nfs/dbraw/zinc/52/56/20/387525620.db2.gz VIFQHTZQOKHSMM-CABZTGNLSA-N 0 0 241.281 2.310 10 0 BEAERN COc1ccc(C)c(CO)c1OC(F)(F)F ZINC000575728624 387465172 /nfs/dbraw/zinc/46/51/72/387465172.db2.gz FPTIKSLVCWAEST-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COC(=O)Cc1cc(N)cc(Cl)c1Cl ZINC000575728149 387465623 /nfs/dbraw/zinc/46/56/23/387465623.db2.gz BTAWMOIJIPRYPZ-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN Cc1ccc(O)c(N)c1OC(F)(F)F ZINC000575727925 387465689 /nfs/dbraw/zinc/46/56/89/387465689.db2.gz LFWDXUCCOPMJOS-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN O=C(c1cccc(=O)[nH]1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000374555611 387465819 /nfs/dbraw/zinc/46/58/19/387465819.db2.gz FMEGBFLNJUXHBF-JQWIXIFHSA-N 0 0 246.310 2.192 10 0 BEAERN COc1c(C)c(N)ccc1OC(F)(F)F ZINC000575730059 387467379 /nfs/dbraw/zinc/46/73/79/387467379.db2.gz RRGHUBHJGFALHE-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(CO)cc(C)c1OC(F)(F)F ZINC000575730044 387468255 /nfs/dbraw/zinc/46/82/55/387468255.db2.gz REJLQJKPBUPRIM-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(C)c(OC(F)(F)F)c(N)c1 ZINC000575730047 387468371 /nfs/dbraw/zinc/46/83/71/387468371.db2.gz RGIRUMQMVALJSD-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN CO[C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000054920538 387584654 /nfs/dbraw/zinc/58/46/54/387584654.db2.gz TYPBZZCVFAAZOT-VIFPVBQESA-N 0 0 241.718 2.333 10 0 BEAERN O[C@H]1CC[C@H]1Nc1ccsc1Cl ZINC000575540943 387591366 /nfs/dbraw/zinc/59/13/66/387591366.db2.gz HNTWJJHHJBPJGC-VDTYLAMSSA-N 0 0 203.694 2.337 10 0 BEAERN O=C1COC[C@@H]1c1ccc(Cl)s1 ZINC000575531313 387546986 /nfs/dbraw/zinc/54/69/86/387546986.db2.gz NULOXRSAAOQTHE-YFKPBYRVSA-N 0 0 202.662 2.084 10 0 BEAERN O=C(c1ncccc1O)N1CCC12CCCCC2 ZINC000375522412 387548103 /nfs/dbraw/zinc/54/81/03/387548103.db2.gz UHRFXIPOZNSZSL-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN O=C1COC[C@@H]1c1sccc1Br ZINC000575532008 387548925 /nfs/dbraw/zinc/54/89/25/387548925.db2.gz UHZGZHLFBDRSON-YFKPBYRVSA-N 0 0 247.113 2.194 10 0 BEAERN O=C1COC[C@@H]1c1cscc1Br ZINC000575530860 387551952 /nfs/dbraw/zinc/55/19/52/387551952.db2.gz KYXUKMOQEKJRAW-RXMQYKEDSA-N 0 0 247.113 2.194 10 0 BEAERN Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000120685170 387573061 /nfs/dbraw/zinc/57/30/61/387573061.db2.gz JYFPNDYUGPUDDV-AAEUAGOBSA-N 0 0 231.343 2.427 10 0 BEAERN C[C@@H](CCC(=O)N1CC(CO)C1)c1ccccc1 ZINC000122658454 387573936 /nfs/dbraw/zinc/57/39/36/387573936.db2.gz GSLYWDWFSLRWDO-LBPRGKRZSA-N 0 0 247.338 2.021 10 0 BEAERN CCc1ccc(NC(=O)c2cc[nH]n2)cc1F ZINC000122669855 387574535 /nfs/dbraw/zinc/57/45/35/387574535.db2.gz XKEBIYUQPCGXOG-UHFFFAOYSA-N 0 0 233.246 2.364 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CC[C@@H](C)SC1 ZINC000575535641 387577316 /nfs/dbraw/zinc/57/73/16/387577316.db2.gz YTCRBSQDXHMQNZ-SVRRBLITSA-N 0 0 219.737 2.139 10 0 BEAERN Cn1ccc(CNc2ccc(F)c(F)c2F)n1 ZINC000211615084 387579937 /nfs/dbraw/zinc/57/99/37/387579937.db2.gz QUELHFLXVUHUPJ-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000124832197 387633071 /nfs/dbraw/zinc/63/30/71/387633071.db2.gz YJQWVSQAWCRNKP-RNCFNFMXSA-N 0 0 247.294 2.395 10 0 BEAERN S=C1N=NC(c2occc2Br)O1 ZINC000575549029 387647013 /nfs/dbraw/zinc/64/70/13/387647013.db2.gz GQTLKDFYDOTBBF-UHFFFAOYSA-N 0 0 247.073 2.381 10 0 BEAERN CS[C@@H]1CC[C@@H]1Nc1nccs1 ZINC000575551660 387650296 /nfs/dbraw/zinc/65/02/96/387650296.db2.gz XFYGCCQAISQBHW-NKWVEPMBSA-N 0 0 200.332 2.449 10 0 BEAERN O=C(C1C2CC3CC(C2)CC1C3)N1CCCO1 ZINC000125352064 387654273 /nfs/dbraw/zinc/65/42/73/387654273.db2.gz JJPMXIMFUJTHOV-UHFFFAOYSA-N 0 0 235.327 2.223 10 0 BEAERN O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CCCCC[C@H]21 ZINC000362841534 387664491 /nfs/dbraw/zinc/66/44/91/387664491.db2.gz VFBAHMVAAPBZDZ-VXGBXAGGSA-N 0 0 246.310 2.192 10 0 BEAERN C[C@H]1C(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447714 387685944 /nfs/dbraw/zinc/68/59/44/387685944.db2.gz MNYIQAQSZOMQSX-TVQRCGJNSA-N 0 0 239.315 2.223 10 0 BEAERN CC(C)C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000128876356 387756295 /nfs/dbraw/zinc/75/62/95/387756295.db2.gz GWADHZLNSMBOHS-JQWIXIFHSA-N 0 0 233.311 2.323 10 0 BEAERN O=Cc1nnc(-c2ccoc2Cl)s1 ZINC000575572991 387753418 /nfs/dbraw/zinc/75/34/18/387753418.db2.gz VLAZIELWIIDSIA-UHFFFAOYSA-N 0 0 214.633 2.264 10 0 BEAERN C[C@@H]1OCC[C@]1([NH3+])c1ccsc1Cl ZINC000575559571 387702455 /nfs/dbraw/zinc/70/24/55/387702455.db2.gz IMYCYVDQVMPZJB-IMTBSYHQSA-N 0 0 217.721 2.364 10 0 BEAERN COc1cc2cn(C)nc2cc1Br ZINC000575447806 387703386 /nfs/dbraw/zinc/70/33/86/387703386.db2.gz ZMFZDYSIMWBSJM-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN Nc1noc(-c2ccsn2)c1Br ZINC000575562945 387704354 /nfs/dbraw/zinc/70/43/54/387704354.db2.gz HGHOQLTVQLJCMJ-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN c1coc(-c2nnc(NC3CC3)s2)c1 ZINC000306305595 387723797 /nfs/dbraw/zinc/72/37/97/387723797.db2.gz IVAOAFXFINOPEQ-UHFFFAOYSA-N 0 0 207.258 2.372 10 0 BEAERN O=C(c1ncccc1O)N1C[C@H]2CCCCC[C@H]21 ZINC000378086582 387763711 /nfs/dbraw/zinc/76/37/11/387763711.db2.gz PGXOHACVCPJLPU-GHMZBOCLSA-N 0 0 246.310 2.192 10 0 BEAERN COCc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000129587751 387774159 /nfs/dbraw/zinc/77/41/59/387774159.db2.gz NZNSWQMXBCXSTQ-GWCFXTLKSA-N 0 0 249.310 2.339 10 0 BEAERN C[C@@H](Nc1ncncc1Cl)[C@H]1CCCO1 ZINC000163584646 387776897 /nfs/dbraw/zinc/77/68/97/387776897.db2.gz LPGZZEWYFNXGQD-VXNVDRBHSA-N 0 0 227.695 2.109 10 0 BEAERN Clc1cncnc1NCC[C@@H]1CCCO1 ZINC000163591999 387785985 /nfs/dbraw/zinc/78/59/85/387785985.db2.gz JZVYKJBKLVMNER-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN O=C(c1cnsn1)N1CCC[C@@H]1c1ccco1 ZINC000116039181 387756829 /nfs/dbraw/zinc/75/68/29/387756829.db2.gz YETODQYQIZKPAY-SECBINFHSA-N 0 0 249.295 2.108 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000128883588 387757317 /nfs/dbraw/zinc/75/73/17/387757317.db2.gz UUMVNVKZVSMJCE-GDPRMGEGSA-N 0 0 241.306 2.180 10 0 BEAERN CCOc1cc(OC(F)F)c(C#N)cc1C=O ZINC000575638185 387832303 /nfs/dbraw/zinc/83/23/03/387832303.db2.gz FIFWFKOAXLGEMA-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1c(CO)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575637592 387832701 /nfs/dbraw/zinc/83/27/01/387832701.db2.gz AKOQCYHXNYBLFF-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1c(CO)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575637912 387832730 /nfs/dbraw/zinc/83/27/30/387832730.db2.gz KESSGCQCOLCAHQ-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1CO ZINC000575639090 387833505 /nfs/dbraw/zinc/83/35/05/387833505.db2.gz WDNIGAAQRSUTPG-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1cc(CO)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575638265 387833514 /nfs/dbraw/zinc/83/35/14/387833514.db2.gz PKQWNCFSRXUHER-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COC(=O)c1ccc(N)c(C)c1OC(F)(F)F ZINC000575639641 387833653 /nfs/dbraw/zinc/83/36/53/387833653.db2.gz JCJNVHUPZAFQEW-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1CO ZINC000575639021 387833703 /nfs/dbraw/zinc/83/37/03/387833703.db2.gz VMPPUCMVRWHVDF-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(OCC)c(OC)cc1C#N ZINC000575638255 387834010 /nfs/dbraw/zinc/83/40/10/387834010.db2.gz PCGRTHABFUIOBV-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN COC(=O)c1ccc(OC)c(N)c1C(F)(F)F ZINC000575638939 387834053 /nfs/dbraw/zinc/83/40/53/387834053.db2.gz FWRJCBMUDKSLDV-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COC(=O)c1cc(N)cc(OC)c1C(F)(F)F ZINC000575638397 387834383 /nfs/dbraw/zinc/83/43/83/387834383.db2.gz ABNOJCUFPSCKDI-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1ccc(C=O)c(C#N)c1OC(F)F ZINC000575638837 387834420 /nfs/dbraw/zinc/83/44/20/387834420.db2.gz KQEQDIMPQNVWLL-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN N#Cc1cc(C=O)c(OC(F)F)cc1F ZINC000575639119 387836484 /nfs/dbraw/zinc/83/64/84/387836484.db2.gz DAIKQHIJUNILOG-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCOc1c(C#N)cc(CO)cc1OC(F)F ZINC000575639728 387838661 /nfs/dbraw/zinc/83/86/61/387838661.db2.gz SZEXIOAEDVCJJH-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@]2(CO2)C(C)(C)C1 ZINC000390822167 387839078 /nfs/dbraw/zinc/83/90/78/387839078.db2.gz NXYFKJCZVXPERN-ZDUSSCGKSA-N 0 0 241.331 2.422 10 0 BEAERN N#Cc1cc(OC(F)F)c(C=O)cc1F ZINC000575640595 387839499 /nfs/dbraw/zinc/83/94/99/387839499.db2.gz OWUHEKBQCFXWAI-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN Cc1cc(C#N)c(C=O)c(OC(F)F)c1 ZINC000575640478 387840020 /nfs/dbraw/zinc/84/00/20/387840020.db2.gz ISJVFHRZAFTRGL-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN N#CCc1c(C#N)cc(OC(F)F)cc1C=O ZINC000575641117 387840755 /nfs/dbraw/zinc/84/07/55/387840755.db2.gz VDUKLUWLALJEQR-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN N#Cc1cc(C=O)c(F)cc1OC(F)F ZINC000575641023 387840913 /nfs/dbraw/zinc/84/09/13/387840913.db2.gz SMEYQXFLFYZHHE-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(OC(F)F)cc(C(C)=O)c1C#N ZINC000575641059 387840956 /nfs/dbraw/zinc/84/09/56/387840956.db2.gz SZHOSSXOTZVMCP-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(C#N)c(OC(F)F)cc1C ZINC000575639845 387841213 /nfs/dbraw/zinc/84/12/13/387841213.db2.gz CBWGNBMHHGXTKV-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCOc1c(C#N)ccc(C(F)F)c1CO ZINC000575641724 387842876 /nfs/dbraw/zinc/84/28/76/387842876.db2.gz ORXLJKJGKVQUQZ-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)c1c(C)ccc(OC(F)(F)F)c1N ZINC000575639892 387843032 /nfs/dbraw/zinc/84/30/32/387843032.db2.gz LNXIDAGGIJVYMV-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1ccc(OC)c(C(F)(F)F)c1N ZINC000575641390 387847642 /nfs/dbraw/zinc/84/76/42/387847642.db2.gz SMYCTFYLQDLLCC-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COc1ccc(C#N)c(C(F)(F)F)c1C=O ZINC000575645500 387874460 /nfs/dbraw/zinc/87/44/60/387874460.db2.gz CIDBNYQJTHZQQV-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCc1ccc(-n2[nH]c(C)cc2=O)cc1 ZINC000032235412 387864166 /nfs/dbraw/zinc/86/41/66/387864166.db2.gz WVBMMAGKFYAKIT-UHFFFAOYSA-N 0 0 202.257 2.362 10 0 BEAERN CCN(CC)C(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000645851654 387868147 /nfs/dbraw/zinc/86/81/47/387868147.db2.gz UGXQFNKJZSYAGR-HBNTYKKESA-N 0 0 210.321 2.226 10 0 BEAERN COc1cc(C#N)c(C=O)c(OC(F)(F)F)c1 ZINC000575645612 387874807 /nfs/dbraw/zinc/87/48/07/387874807.db2.gz CYJUMTZBRYFCPO-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCOc1c(CC)cc(C#N)cc1CO ZINC000575644143 387870969 /nfs/dbraw/zinc/87/09/69/387870969.db2.gz VFJMENCSGNLOOD-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN COC(=O)c1cc(C)c(Br)c(C)n1 ZINC000575624161 387816123 /nfs/dbraw/zinc/81/61/23/387816123.db2.gz NCBMKOIKBPWAKM-UHFFFAOYSA-N 0 0 244.088 2.248 10 0 BEAERN Nc1ncc(Br)cc1N1CCCC1 ZINC000575624016 387816375 /nfs/dbraw/zinc/81/63/75/387816375.db2.gz JBZFYNFXBAWMST-UHFFFAOYSA-N 0 0 242.120 2.027 10 0 BEAERN CCc1c(C#N)ccc([N+](=O)[O-])c1C(C)=O ZINC000575650085 387890105 /nfs/dbraw/zinc/89/01/05/387890105.db2.gz VWJMWJHWBDIDRC-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN COc1cc(C#N)c(C(F)(F)F)cc1C=O ZINC000575648286 387892986 /nfs/dbraw/zinc/89/29/86/387892986.db2.gz MABPAMYBNWNNBJ-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN COc1c(C#N)ccc(C=O)c1OC(F)(F)F ZINC000575648254 387893388 /nfs/dbraw/zinc/89/33/88/387893388.db2.gz LKYBZRJXWLXIPH-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN Cc1cc(C)c(OC(F)F)c(C(N)=O)c1 ZINC000575653054 387894092 /nfs/dbraw/zinc/89/40/92/387894092.db2.gz SIUPQQOYKANJHZ-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN CCc1cc(OC(F)F)c(F)cc1CO ZINC000575653286 387894655 /nfs/dbraw/zinc/89/46/55/387894655.db2.gz DNGUAWOGQJTGAT-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1c(O)cc(C=O)cc1OC(F)F ZINC000575653843 387895853 /nfs/dbraw/zinc/89/58/53/387895853.db2.gz PSLSWEAXBHUWDM-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1c(OC(F)F)ccc(F)c1CO ZINC000575653435 387895906 /nfs/dbraw/zinc/89/59/06/387895906.db2.gz HHOMTEXNMCZLFC-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1ccc(F)c(CO)c1OC(F)F ZINC000575653399 387896647 /nfs/dbraw/zinc/89/66/47/387896647.db2.gz GJYJZEYLNMAFBK-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1c(CO)ccc(O)c1OC(F)F ZINC000575653559 387896684 /nfs/dbraw/zinc/89/66/84/387896684.db2.gz KEJDDLAQTOWYMT-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN COc1cc(C=O)c(C#N)cc1C(F)(F)F ZINC000575645935 387877050 /nfs/dbraw/zinc/87/70/50/387877050.db2.gz FIXQSJHNSWDQAS-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCOC(=O)CN[C@H]1CCCOc2ccccc21 ZINC000194333144 387877389 /nfs/dbraw/zinc/87/73/89/387877389.db2.gz AMJWUKARNHGCSK-LBPRGKRZSA-N 0 0 249.310 2.053 10 0 BEAERN CCc1ccc(C#N)c(C(C)=O)c1OC ZINC000575646168 387879604 /nfs/dbraw/zinc/87/96/04/387879604.db2.gz NVRVLYMKVYABRL-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1c(C#N)ccc(C=O)c1C(F)(F)F ZINC000575646302 387879718 /nfs/dbraw/zinc/87/97/18/387879718.db2.gz GKKHLINHRXJFEB-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN COc1ccc(CO)c(C#N)c1C(F)(F)F ZINC000575645262 387880727 /nfs/dbraw/zinc/88/07/27/387880727.db2.gz BJAZEZOYLBHNRI-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CN(C)C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000194469459 387881034 /nfs/dbraw/zinc/88/10/34/387881034.db2.gz FGCZSHJQFGMMJM-UHFFFAOYSA-N 0 0 246.310 2.163 10 0 BEAERN CCc1c(C#N)cc(C(C)=O)cc1C=O ZINC000575646683 387881778 /nfs/dbraw/zinc/88/17/78/387881778.db2.gz PFZAOCJKRRPCBD-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCc1cc(C(N)=O)cc(C#N)c1C(F)(F)F ZINC000575647836 387883290 /nfs/dbraw/zinc/88/32/90/387883290.db2.gz KWPQTBINDLTLNS-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1cc(C(C)=O)cc(C#N)c1[N+](=O)[O-] ZINC000575647678 387883769 /nfs/dbraw/zinc/88/37/69/387883769.db2.gz MXSJWSSAOJVJAC-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1ccc(C(C)=O)c(OC)c1C#N ZINC000575647575 387883791 /nfs/dbraw/zinc/88/37/91/387883791.db2.gz SXWRRUFYJBTHLS-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1cc(F)c(C(F)(F)F)cc1CO ZINC000575650421 387884396 /nfs/dbraw/zinc/88/43/96/387884396.db2.gz XYKFMKSBSXWJHR-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN Cc1c(C#N)cc(C(F)(F)F)cc1CO ZINC000575650426 387885174 /nfs/dbraw/zinc/88/51/74/387885174.db2.gz WXGBOXNKLRATHA-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN CCc1ccc(OC)c(C(C)=O)c1C#N ZINC000575648765 387885339 /nfs/dbraw/zinc/88/53/39/387885339.db2.gz XZYQJHHKQAPRQQ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C(C)=O)c(C#N)c([N+](=O)[O-])c1 ZINC000575648799 387885499 /nfs/dbraw/zinc/88/54/99/387885499.db2.gz LEBMTJISPVINEJ-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCc1c(C#N)ccc(C(C)=O)c1[N+](=O)[O-] ZINC000575648819 387885592 /nfs/dbraw/zinc/88/55/92/387885592.db2.gz QJXMPBGCJZECNC-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CC[C@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000194602764 387886502 /nfs/dbraw/zinc/88/65/02/387886502.db2.gz WXAAZPBANNQTDW-GXSJLCMTSA-N 0 0 234.299 2.218 10 0 BEAERN COc1c(C=O)cc(C#N)cc1C(F)(F)F ZINC000575649826 387887860 /nfs/dbraw/zinc/88/78/60/387887860.db2.gz SABNURASKZDZMG-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1c(C=O)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575651318 387887909 /nfs/dbraw/zinc/88/79/09/387887909.db2.gz YHCAPRGIXTWRSF-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCOc1cc(C#N)cc(O)c1OCC ZINC000575651435 387899917 /nfs/dbraw/zinc/89/99/17/387899917.db2.gz YONBKXYBMXVCEK-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN COc1cc(OC(F)F)cc(OC)c1O ZINC000575652470 387901549 /nfs/dbraw/zinc/90/15/49/387901549.db2.gz GTBPRCVDVONBQE-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN Cc1ccc(NCc2nnnn2C(C)C)c(C)c1 ZINC000194981120 387901884 /nfs/dbraw/zinc/90/18/84/387901884.db2.gz XLAPPZSDCMBWRV-UHFFFAOYSA-N 0 0 245.330 2.483 10 0 BEAERN OCCCN1CCCC[C@@H]1c1nccs1 ZINC000195440049 387916131 /nfs/dbraw/zinc/91/61/31/387916131.db2.gz ZOGLGWXCOFQGMS-SNVBAGLBSA-N 0 0 226.345 2.053 10 0 BEAERN CC(C)C(=O)NCC[C@H]1CNc2ccccc21 ZINC000019510907 387917304 /nfs/dbraw/zinc/91/73/04/387917304.db2.gz FRURBQCHJBXOMW-NSHDSACASA-N 0 0 232.327 2.358 10 0 BEAERN C[C@H]1OC(=O)C[C@H]1Sc1ccccc1 ZINC000196531819 387933600 /nfs/dbraw/zinc/93/36/00/387933600.db2.gz CRFRWRWBBAVMGO-PSASIEDQSA-N 0 0 208.282 2.483 10 0 BEAERN CCn1ccnc1CSc1ncc(C)cn1 ZINC000195517485 387922469 /nfs/dbraw/zinc/92/24/69/387922469.db2.gz YJZIOTWYPQSGPY-UHFFFAOYSA-N 0 0 234.328 2.294 10 0 BEAERN COc1ccc([C@@H](O)c2cncs2)s1 ZINC000306154616 387926166 /nfs/dbraw/zinc/92/61/66/387926166.db2.gz BLGKVZORMFRXED-SECBINFHSA-N 0 0 227.310 2.295 10 0 BEAERN Cc1cnc([C@@H](C)NCc2cn(C(C)C)nn2)o1 ZINC000336789613 387940658 /nfs/dbraw/zinc/94/06/58/387940658.db2.gz UCIBKFBLCOLBMY-SNVBAGLBSA-N 0 0 249.318 2.006 10 0 BEAERN C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000245481450 387950082 /nfs/dbraw/zinc/95/00/82/387950082.db2.gz YJKOTDIBWIIUFC-CYZMBNFOSA-N 0 0 237.343 2.203 10 0 BEAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1C[C@H]1C ZINC000245582372 387963660 /nfs/dbraw/zinc/96/36/60/387963660.db2.gz CWCQWMCIEFDJQW-XLDPMVHQSA-N 0 0 235.331 2.045 10 0 BEAERN CCn1cc(CN2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000245545907 387956814 /nfs/dbraw/zinc/95/68/14/387956814.db2.gz UQBYBNRPJXSVNR-KGLIPLIRSA-N 0 0 249.358 2.046 10 0 BEAERN Cc1ccc2c(OCCO)ccnc2c1C ZINC000053994784 387977023 /nfs/dbraw/zinc/97/70/23/387977023.db2.gz KBTWLRRNOYYBJD-UHFFFAOYSA-N 0 0 217.268 2.223 10 0 BEAERN Cc1cc(C)c2ncc3c(c2c1)OCCOC3=O ZINC000053994755 387977043 /nfs/dbraw/zinc/97/70/43/387977043.db2.gz GGKUDRZLWQCHRZ-UHFFFAOYSA-N 0 0 243.262 2.401 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)C2CC2)ccc1N ZINC000035732604 177809680 /nfs/dbraw/zinc/80/96/80/177809680.db2.gz JFYMXOSREYYIMR-SECBINFHSA-N 0 0 218.300 2.106 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C)CC2)O1 ZINC000245952599 387995061 /nfs/dbraw/zinc/99/50/61/387995061.db2.gz BISMPRRAUDLKDY-IJLUTSLNSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)O1 ZINC000246010107 388002440 /nfs/dbraw/zinc/00/24/40/388002440.db2.gz KXTCMMBNCHEHJD-MLGHIDQZSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](C)C2)O1 ZINC000246039172 388004368 /nfs/dbraw/zinc/00/43/68/388004368.db2.gz OUIOIGKSWRGNSM-NOOOWODRSA-N 0 0 225.332 2.249 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)O1 ZINC000246081349 388007334 /nfs/dbraw/zinc/00/73/34/388007334.db2.gz TYAFRRNAFRBZEM-SYLRKERUSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C)[C@H]2C)O1 ZINC000246115710 388010040 /nfs/dbraw/zinc/01/00/40/388010040.db2.gz YBALKZHOZXABBD-IRCOFANPSA-N 0 0 225.332 2.201 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000246125159 388012074 /nfs/dbraw/zinc/01/20/74/388012074.db2.gz YZDNFGUHENDDQP-AVGNSLFASA-N 0 0 239.359 2.449 10 0 BEAERN OC1CCC(Nc2nc(C3CC3)ns2)CC1 ZINC000083652074 388057958 /nfs/dbraw/zinc/05/79/58/388057958.db2.gz XRBXPDCUZRAHMV-UHFFFAOYSA-N 0 0 239.344 2.131 10 0 BEAERN Clc1cc2nnc([C@H]3CCCS3)n2cn1 ZINC000069985556 388076776 /nfs/dbraw/zinc/07/67/76/388076776.db2.gz BGTHMIFWCLSYHY-ZCFIWIBFSA-N 0 0 240.719 2.346 10 0 BEAERN CCn1c(C)nnc1CN(C)Cc1ccc(C)o1 ZINC000195019310 388083417 /nfs/dbraw/zinc/08/34/17/388083417.db2.gz IBBMLKBXWNQADV-UHFFFAOYSA-N 0 0 248.330 2.140 10 0 BEAERN COC[C@@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195032709 388083579 /nfs/dbraw/zinc/08/35/79/388083579.db2.gz WDGMDEHWFYSQHF-SNVBAGLBSA-N 0 0 237.299 2.225 10 0 BEAERN C[C@H](NC(N)=O)c1ccc(Cl)s1 ZINC000042295784 388087752 /nfs/dbraw/zinc/08/77/52/388087752.db2.gz DJUYXCFFDMFDEW-BYPYZUCNSA-N 0 0 204.682 2.131 10 0 BEAERN Cc1nc(C)c(CN2[C@@H](C)COC[C@@H]2C)s1 ZINC000172833184 388172921 /nfs/dbraw/zinc/17/29/21/388172921.db2.gz ALWBHQFTMPPGAP-IUCAKERBSA-N 0 0 240.372 2.369 10 0 BEAERN CC[S@@](=N)(=O)c1ccc(F)cc1F ZINC000521399870 256516538 /nfs/dbraw/zinc/51/65/38/256516538.db2.gz WJFTWTWGLILKJM-CYBMUJFWSA-N 0 0 205.229 2.390 10 0 BEAERN Cc1cc(C)cc(-c2cnc(=O)[nH]c2)c1 ZINC000065344534 388259102 /nfs/dbraw/zinc/25/91/02/388259102.db2.gz PVRVDMAKCPSRFN-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN CSc1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000065344651 388259426 /nfs/dbraw/zinc/25/94/26/388259426.db2.gz ZRFWWTOGQALEBK-UHFFFAOYSA-N 0 0 218.281 2.159 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ncnc(N)c1Cl ZINC000233440909 388347612 /nfs/dbraw/zinc/34/76/12/388347612.db2.gz YEIQNCNOAISTEW-NKWVEPMBSA-N 0 0 226.711 2.313 10 0 BEAERN O=C1Nc2ccccc2[C@H](O)c2ccccc21 ZINC000028711517 388348804 /nfs/dbraw/zinc/34/88/04/388348804.db2.gz MVDLFUHQOPGQGH-CYBMUJFWSA-N 0 0 225.247 2.334 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@H]2CC[C@@H]2C1 ZINC000575524484 388359158 /nfs/dbraw/zinc/35/91/58/388359158.db2.gz CFTOFHCOMBRTEC-CHWSQXEVSA-N 0 0 230.311 2.238 10 0 BEAERN CCN(C(=O)N1CCS[C@@H](C)C1)C(C)C ZINC000162726516 388360494 /nfs/dbraw/zinc/36/04/94/388360494.db2.gz MMHWKASNOGHNOE-JTQLQIEISA-N 0 0 230.377 2.274 10 0 BEAERN Nc1nc(C(=O)c2cccs2)cs1 ZINC000057496266 388361285 /nfs/dbraw/zinc/36/12/85/388361285.db2.gz CKNDDKHWFLXROG-UHFFFAOYSA-N 0 0 210.283 2.018 10 0 BEAERN O=Cc1ccc(O)c(OCC(F)(F)F)c1 ZINC000096034725 256643086 /nfs/dbraw/zinc/64/30/86/256643086.db2.gz HRLKUNWNGRHVDP-UHFFFAOYSA-N 0 0 220.146 2.146 10 0 BEAERN Cc1ccc(NC2CCC(O)CC2)cn1 ZINC000235884932 388376254 /nfs/dbraw/zinc/37/62/54/388376254.db2.gz BAUUCXOGFQJTFD-UHFFFAOYSA-N 0 0 206.289 2.105 10 0 BEAERN C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(F)c1 ZINC000295011783 388406364 /nfs/dbraw/zinc/40/63/64/388406364.db2.gz MDFMFKSYUDHZBF-MFKMUULPSA-N 0 0 223.291 2.171 10 0 BEAERN CNc1c2c([nH+]c3ccc(C(=O)[O-])cc31)CCC2 ZINC000004226614 388394820 /nfs/dbraw/zinc/39/48/20/388394820.db2.gz OHCMBTAPFSUDTO-UHFFFAOYSA-N 0 0 242.278 2.463 10 0 BEAERN CCc1cccc(OCc2nnc(N)s2)c1 ZINC000004227438 388395178 /nfs/dbraw/zinc/39/51/78/388395178.db2.gz JKOKTBWMXYALIG-UHFFFAOYSA-N 0 0 235.312 2.262 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(Cc2ccc(F)cc2F)C1 ZINC000334745956 388447127 /nfs/dbraw/zinc/44/71/27/388447127.db2.gz LQJOXAADHZQOJF-BXKDBHETSA-N 0 0 241.281 2.168 10 0 BEAERN Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](O)C2)c1C ZINC000335087123 388448329 /nfs/dbraw/zinc/44/83/29/388448329.db2.gz RANWAJUKPNDSGT-ZWNOBZJWSA-N 0 0 247.338 2.146 10 0 BEAERN Cn1c(CC(C)(C)C)n[n-]c1=[NH+]C(C)(C)C ZINC000336710087 388466402 /nfs/dbraw/zinc/46/64/02/388466402.db2.gz RMRHIKVBGKSWDW-UHFFFAOYSA-N 0 0 224.352 2.036 10 0 BEAERN CCSCC[C@@H](C)Nc1nncs1 ZINC000133981716 388472820 /nfs/dbraw/zinc/47/28/20/388472820.db2.gz CJVQQAZNNMSJNM-SSDOTTSWSA-N 0 0 217.363 2.482 10 0 BEAERN C[C@H](Nc1ccnc2cccnc21)[C@@H]1CCCO1 ZINC000338643511 388476064 /nfs/dbraw/zinc/47/60/64/388476064.db2.gz HPCIEAOIAHHZQL-GWCFXTLKSA-N 0 0 243.310 2.031 10 0 BEAERN CC(C)c1nsc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000134569041 388477370 /nfs/dbraw/zinc/47/73/70/388477370.db2.gz ZDJYXIJMEOIOHV-HTQZYQBOSA-N 0 0 227.333 2.251 10 0 BEAERN COC(=O)[C@H](N)c1csc2ccccc21 ZINC000039633733 388410744 /nfs/dbraw/zinc/41/07/44/388410744.db2.gz DXHBPKCPVHUXSF-SNVBAGLBSA-N 0 0 221.281 2.074 10 0 BEAERN Nc1ccc2c(cnn2Cc2cscn2)c1 ZINC000090600257 388422484 /nfs/dbraw/zinc/42/24/84/388422484.db2.gz MCORPVDAGYQJEB-UHFFFAOYSA-N 0 0 230.296 2.123 10 0 BEAERN Cc1cccnc1CCNC(=O)OC(C)C ZINC000404584033 388424642 /nfs/dbraw/zinc/42/46/42/388424642.db2.gz AQSDUSSYMPRKFY-UHFFFAOYSA-N 0 0 222.288 2.067 10 0 BEAERN CCc1ccc(C2=NC(=S)N=C2)cc1 ZINC000070451487 388436011 /nfs/dbraw/zinc/43/60/11/388436011.db2.gz CUYIDRIJIIFZNC-UHFFFAOYSA-N 0 0 202.282 2.407 10 0 BEAERN Nc1cc(Br)cc2ncoc21 ZINC000041568868 388438280 /nfs/dbraw/zinc/43/82/80/388438280.db2.gz QJKCFIROKMIJFR-UHFFFAOYSA-N 0 0 213.034 2.173 10 0 BEAERN O=C1Nc2ccc(F)cc2N2CCCC[C@H]12 ZINC000086158677 256779765 /nfs/dbraw/zinc/77/97/65/256779765.db2.gz QMKVLKJZNLAHBB-SNVBAGLBSA-N 0 0 220.247 2.137 10 0 BEAERN CC(C)c1noc(CNC2(C(C)C)CC2)n1 ZINC000339519169 388485324 /nfs/dbraw/zinc/48/53/24/388485324.db2.gz QOPIWWXHDIBRHX-UHFFFAOYSA-N 0 0 223.320 2.471 10 0 BEAERN CSCCCC(=O)N(C)c1cccc(C)n1 ZINC000135239181 388486726 /nfs/dbraw/zinc/48/67/26/388486726.db2.gz CLLGXKQWWUKFLJ-UHFFFAOYSA-N 0 0 238.356 2.496 10 0 BEAERN O=C(N[C@@H]1CCOC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000179045809 388509857 /nfs/dbraw/zinc/50/98/57/388509857.db2.gz IKDZQCHKOMMDNB-FRRDWIJNSA-N 0 0 237.343 2.108 10 0 BEAERN C[C@H](O)CC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C ZINC000344997291 388510068 /nfs/dbraw/zinc/51/00/68/388510068.db2.gz VYYNFRZQQCCAOT-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cc(C)n(CCN[C@H](C)c2ncc(C)o2)n1 ZINC000348358054 388528151 /nfs/dbraw/zinc/52/81/51/388528151.db2.gz IVOVFHXOFMDZLN-GFCCVEGCSA-N 0 0 248.330 2.147 10 0 BEAERN c1cc2c(s1)CC[NH2+][C@H]2c1cccnc1 ZINC000066054608 388533957 /nfs/dbraw/zinc/53/39/57/388533957.db2.gz VFMHJJPZRDRFGU-LBPRGKRZSA-N 0 0 216.309 2.378 10 0 BEAERN C[C@@H]1CNc2ncc(Br)cc21 ZINC000066054628 388534137 /nfs/dbraw/zinc/53/41/37/388534137.db2.gz SSKBJRMGOFUWIY-RXMQYKEDSA-N 0 0 213.078 2.373 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109153624 388586145 /nfs/dbraw/zinc/58/61/45/388586145.db2.gz KFESTBSZFJPKJP-JGVFFNPUSA-N 0 0 212.195 2.241 10 0 BEAERN Cc1ccc(O)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000529922201 388597833 /nfs/dbraw/zinc/59/78/33/388597833.db2.gz KSTIEYZUUZZRKK-BXKDBHETSA-N 0 0 235.283 2.207 10 0 BEAERN C[C@@H]1CCC[C@@H]1CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000186643002 388602079 /nfs/dbraw/zinc/60/20/79/388602079.db2.gz JPLNPMMKNPLQNC-FVCCEPFGSA-N 0 0 239.359 2.449 10 0 BEAERN CCOC(=O)Cc1c(F)cc(F)c(OC)c1F ZINC000575397413 388615279 /nfs/dbraw/zinc/61/52/79/388615279.db2.gz AQSSJKWBTJUHLU-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN CO[C@@H](C)c1cccc(NC(=O)C2CC(=O)C2)c1 ZINC000136856712 388550967 /nfs/dbraw/zinc/55/09/67/388550967.db2.gz HFGSBTIUBFWEOH-VIFPVBQESA-N 0 0 247.294 2.312 10 0 BEAERN Cn1c2ccccc2nc1C(=O)C(F)(F)F ZINC000075855081 388575619 /nfs/dbraw/zinc/57/56/19/388575619.db2.gz BYQZSWFQZGGKQN-UHFFFAOYSA-N 0 0 228.173 2.318 10 0 BEAERN CCCCNC(=O)NC[C@@H](C)C(C)C ZINC000125418766 388671828 /nfs/dbraw/zinc/67/18/28/388671828.db2.gz VZQHVMRPWMSMLM-SNVBAGLBSA-N 0 0 200.326 2.378 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2ncccc21 ZINC000114528272 388681748 /nfs/dbraw/zinc/68/17/48/388681748.db2.gz DXABOGASCVFZGJ-UHFFFAOYSA-N 0 0 220.272 2.379 10 0 BEAERN C[C@H]1CCCN(Cc2nnc(C3CC3)n2C)[C@H]1C ZINC000247028885 388657760 /nfs/dbraw/zinc/65/77/60/388657760.db2.gz UWEOXUTZSBYBCX-QWRGUYRKSA-N 0 0 248.374 2.313 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000247383599 388662845 /nfs/dbraw/zinc/66/28/45/388662845.db2.gz FUNNHEPLFAPNPF-WISYIIOYSA-N 0 0 222.332 2.369 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000249855102 388734265 /nfs/dbraw/zinc/73/42/65/388734265.db2.gz FVFFKVJTRWOWHF-LPWJVIDDSA-N 0 0 239.359 2.496 10 0 BEAERN Cc1ocnc1C(=O)N1CCOc2ccccc21 ZINC000128150445 388739774 /nfs/dbraw/zinc/73/97/74/388739774.db2.gz OGTXLSICPBNOPH-UHFFFAOYSA-N 0 0 244.250 2.022 10 0 BEAERN CCC[C@@H](C(=O)Nc1ccnc(C)c1)[NH+](C)C ZINC000126039380 388687633 /nfs/dbraw/zinc/68/76/33/388687633.db2.gz XLYYBBFYESSGLP-LBPRGKRZSA-N 0 0 235.331 2.059 10 0 BEAERN CC[C@H](NC(=O)c1cnc(Cl)cn1)C(C)C ZINC000225939918 388692443 /nfs/dbraw/zinc/69/24/43/388692443.db2.gz SHQMCKVVDBNCOP-QMMMGPOBSA-N 0 0 241.722 2.294 10 0 BEAERN CC(C)c1nnc(CN2CCC[C@@H](C)C2)n1C ZINC000195008232 388692862 /nfs/dbraw/zinc/69/28/62/388692862.db2.gz QUJNQPXKTHURBY-LLVKDONJSA-N 0 0 236.363 2.170 10 0 BEAERN CCC[C@@H](O)CNC(=O)Cc1cccc(CC)c1 ZINC000126699164 388699696 /nfs/dbraw/zinc/69/96/96/388699696.db2.gz PMMPXOZJUDAQEP-CQSZACIVSA-N 0 0 249.354 2.069 10 0 BEAERN COc1cccc([C@]2(O)CSC[C@@H]2C)c1 ZINC000389697271 388702573 /nfs/dbraw/zinc/70/25/73/388702573.db2.gz JAXBXOPOYPKEPJ-CABZTGNLSA-N 0 0 224.325 2.266 10 0 BEAERN CC(C)n1ccnc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000195513690 388711585 /nfs/dbraw/zinc/71/15/85/388711585.db2.gz XRTRHUUQBWXGFJ-VXGBXAGGSA-N 0 0 237.347 2.073 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CCCS1 ZINC000127583940 388726775 /nfs/dbraw/zinc/72/67/75/388726775.db2.gz UCFIQWXFBOJBAN-MRVPVSSYSA-N 0 0 203.307 2.017 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000194480349 388733770 /nfs/dbraw/zinc/73/37/70/388733770.db2.gz BNQGJOOGBAGGIY-BJDJZHNGSA-N 0 0 242.363 2.288 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)O1 ZINC000128812116 388796811 /nfs/dbraw/zinc/79/68/11/388796811.db2.gz XKIONHXZVUSLSH-SKDRFNHKSA-N 0 0 237.274 2.009 10 0 BEAERN Cn1ncc(Cl)c1-c1nc(Cl)ns1 ZINC000575459221 388803094 /nfs/dbraw/zinc/80/30/94/388803094.db2.gz JGLLXQRVJBAOHL-UHFFFAOYSA-N 0 0 235.099 2.245 10 0 BEAERN CCOC(=O)Cc1cccnc1OC(F)(F)F ZINC000575340460 388760834 /nfs/dbraw/zinc/76/08/34/388760834.db2.gz SERVDJLJJJKSEO-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN COc1cccc(CNC(=O)CCC(C)C)n1 ZINC000128518033 388768822 /nfs/dbraw/zinc/76/88/22/388768822.db2.gz TUXXCWPJKJUVIC-UHFFFAOYSA-N 0 0 236.315 2.143 10 0 BEAERN Cc1ncsc1[C@@H]([NH3+])[C@@H]1CCCS1 ZINC000575461857 388820364 /nfs/dbraw/zinc/82/03/64/388820364.db2.gz ZAPDIEPTBMFWJN-YUMQZZPRSA-N 0 0 214.359 2.347 10 0 BEAERN CO[C@]1(C)CCCN(C(=O)OC(C)C)C1 ZINC000230257820 388821769 /nfs/dbraw/zinc/82/17/69/388821769.db2.gz BYGGVHCYIKRZIM-LLVKDONJSA-N 0 0 215.293 2.032 10 0 BEAERN CO[C@@]1(C)CCCN(C(=O)OC(C)C)C1 ZINC000230257818 388822933 /nfs/dbraw/zinc/82/29/33/388822933.db2.gz BYGGVHCYIKRZIM-NSHDSACASA-N 0 0 215.293 2.032 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ncnc(F)c1Br ZINC000575464115 388830759 /nfs/dbraw/zinc/83/07/59/388830759.db2.gz VQTVRNSVAYCGIY-WHFBIAKZSA-N 0 0 246.083 2.199 10 0 BEAERN CCc1ccc2nc(N3CC(O)C3)cc(C)c2c1 ZINC000055414943 388837991 /nfs/dbraw/zinc/83/79/91/388837991.db2.gz ATOJGHHPUKLILQ-UHFFFAOYSA-N 0 0 242.322 2.287 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(OC)ccc1O ZINC000231694698 388841058 /nfs/dbraw/zinc/84/10/58/388841058.db2.gz LVDURQAMJKZUIH-CABZTGNLSA-N 0 0 249.310 2.319 10 0 BEAERN Clc1cnccc1[C@H]1NCCCS1 ZINC000575472107 388850738 /nfs/dbraw/zinc/85/07/38/388850738.db2.gz RUEZKZNLOWINCC-VIFPVBQESA-N 0 0 214.721 2.460 10 0 BEAERN CCC[C@@H](C(=O)NCC1(CC)CCC1)[NH+](C)C ZINC000152789286 388881742 /nfs/dbraw/zinc/88/17/42/388881742.db2.gz IYOHHQAFSMSPRK-LBPRGKRZSA-N 0 0 240.391 2.413 10 0 BEAERN COC(=O)Cc1cc(C)cnc1OC(F)(F)F ZINC000575375051 388883555 /nfs/dbraw/zinc/88/35/55/388883555.db2.gz KDEVRTPVDYUNFH-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1ccc(OC(F)(F)F)c(C)n1 ZINC000575375064 388884250 /nfs/dbraw/zinc/88/42/50/388884250.db2.gz KGEUIZATFIFDRA-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN O=C1CO[C@H](c2ccc(Br)o2)C1 ZINC000575501613 388990195 /nfs/dbraw/zinc/99/01/95/388990195.db2.gz CKPYNQIUWAIWOI-ZETCQYMHSA-N 0 0 231.045 2.073 10 0 BEAERN O=C1CO[C@@H](c2sccc2Cl)C1 ZINC000575502605 388990489 /nfs/dbraw/zinc/99/04/89/388990489.db2.gz SBWIETWCXNNKMZ-SSDOTTSWSA-N 0 0 202.662 2.432 10 0 BEAERN Cc1ccsc1C(=O)NC[C@H](O)C(C)(C)C ZINC000268771032 389004107 /nfs/dbraw/zinc/00/41/07/389004107.db2.gz YEMWXZPYIQMOJD-VIFPVBQESA-N 0 0 241.356 2.193 10 0 BEAERN C[C@H](C(=O)NC[C@H](O)C(C)(C)C)c1ccccc1 ZINC000273238052 389038548 /nfs/dbraw/zinc/03/85/48/389038548.db2.gz QBRRJTSJKBQMKP-AAEUAGOBSA-N 0 0 249.354 2.313 10 0 BEAERN C[C@H](CN1CCCc2ccccc21)C(N)=S ZINC000036986862 132343306 /nfs/dbraw/zinc/34/33/06/132343306.db2.gz UQUIDEWHDDKPLK-SNVBAGLBSA-N 0 0 234.368 2.361 10 0 BEAERN CC1(C)COCCN1c1ccc(N)cc1F ZINC000042461651 132352148 /nfs/dbraw/zinc/35/21/48/132352148.db2.gz RYMSYNDBBXKNPQ-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Fc1cc2c(cc1F)N1CCSC[C@@H]1CN2 ZINC000076686757 132402163 /nfs/dbraw/zinc/40/21/63/132402163.db2.gz RRTQFZPUVSUZJU-ZETCQYMHSA-N 0 0 242.294 2.312 10 0 BEAERN Cc1nc(C)c(F)c(N2CCCCC2)n1 ZINC000336510900 132210696 /nfs/dbraw/zinc/21/06/96/132210696.db2.gz WBSZMKISYBOEHL-UHFFFAOYSA-N 0 0 209.268 2.223 10 0 BEAERN Cc1ccc(Cl)c2c1N(C)C(=O)CO2 ZINC000062525409 132239922 /nfs/dbraw/zinc/23/99/22/132239922.db2.gz QELDVLGRJMKGQF-UHFFFAOYSA-N 0 0 211.648 2.004 10 0 BEAERN Cc1cc2c(cc1Cl)OCC(=O)N2C ZINC000062525385 132240112 /nfs/dbraw/zinc/24/01/12/132240112.db2.gz QWTDZQLEKCDJIV-UHFFFAOYSA-N 0 0 211.648 2.004 10 0 BEAERN [O-]c1c(Cl)cc(N2CC[NH2+]CC2)cc1Cl ZINC000008417923 132243438 /nfs/dbraw/zinc/24/34/38/132243438.db2.gz JRUVDQROMCNCPM-UHFFFAOYSA-N 0 0 247.125 2.109 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC[C@@H](F)C2)n1 ZINC000336335400 132246857 /nfs/dbraw/zinc/24/68/57/132246857.db2.gz NNDOSMVQWMKAOM-SECBINFHSA-N 0 0 227.258 2.171 10 0 BEAERN C[C@H]1CCCN(c2ccc(CO)cc2)C1 ZINC000026513693 132292426 /nfs/dbraw/zinc/29/24/26/132292426.db2.gz PFJSYYPDGWEWJG-NSHDSACASA-N 0 0 205.301 2.415 10 0 BEAERN CC1CCN(c2nc3ccccc3[nH]c2=O)CC1 ZINC000040351502 132295916 /nfs/dbraw/zinc/29/59/16/132295916.db2.gz BGUBICHYOZQVET-UHFFFAOYSA-N 0 0 243.310 2.159 10 0 BEAERN CCc1cc(Cl)nc(N2CCSCC2)n1 ZINC000057331206 132300971 /nfs/dbraw/zinc/30/09/71/132300971.db2.gz QSKWTFOPFBNPDK-UHFFFAOYSA-N 0 0 243.763 2.246 10 0 BEAERN CC(C)CN1c2ccc(N)cc2O[C@H](C)C1=O ZINC000011568852 132319770 /nfs/dbraw/zinc/31/97/70/132319770.db2.gz GQFLRWXLZNDZAB-SECBINFHSA-N 0 0 234.299 2.039 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ccc(N)cn2)C1 ZINC000019262377 132324249 /nfs/dbraw/zinc/32/42/49/132324249.db2.gz VEZVCFYVKAGGQT-UWVGGRQHSA-N 0 0 205.305 2.146 10 0 BEAERN Nc1cc(N2CCCCC2=O)ccc1Cl ZINC000019420834 132324889 /nfs/dbraw/zinc/32/48/89/132324889.db2.gz UTQYBJIGOGAKLA-UHFFFAOYSA-N 0 0 224.691 2.439 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ncccc2C(N)=S)C1 ZINC000019805756 132327552 /nfs/dbraw/zinc/32/75/52/132327552.db2.gz VIJRSKPARQKSLF-UWVGGRQHSA-N 0 0 249.383 2.198 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2cc(C(N)=S)ccn2)C1 ZINC000019805763 132327559 /nfs/dbraw/zinc/32/75/59/132327559.db2.gz RUPAWBOUKAEHFO-NXEZZACHSA-N 0 0 249.383 2.198 10 0 BEAERN C[C@@H]1CCc2ccccc2N1C(=O)CC(N)=S ZINC000034956368 132337200 /nfs/dbraw/zinc/33/72/00/132337200.db2.gz HFFDCJDIRIOFAC-SECBINFHSA-N 0 0 248.351 2.031 10 0 BEAERN C[C@H]1COCCN1c1ccc(N)c2ncccc12 ZINC000035774271 132339040 /nfs/dbraw/zinc/33/90/40/132339040.db2.gz QTLWMOFRNFMATR-JTQLQIEISA-N 0 0 243.310 2.042 10 0 BEAERN C[C@@H]1CCCCN1c1ccc(N)c2nonc21 ZINC000035675199 132339055 /nfs/dbraw/zinc/33/90/55/132339055.db2.gz OSVISYZTMJMLKV-MRVPVSSYSA-N 0 0 232.287 2.184 10 0 BEAERN C[C@@H]1COCCN1c1ccc(N)c2cccnc21 ZINC000035774259 132339112 /nfs/dbraw/zinc/33/91/12/132339112.db2.gz QVLQGAZRRJVAKP-SNVBAGLBSA-N 0 0 243.310 2.042 10 0 BEAERN CC(=O)c1cc(F)ccc1N1CCOC[C@H]1C ZINC000035776691 132339444 /nfs/dbraw/zinc/33/94/44/132339444.db2.gz WBUJFQGKOJFIQX-SECBINFHSA-N 0 0 237.274 2.253 10 0 BEAERN C[C@@H](O)c1ccc(N2CCOC[C@H]2C)c(F)c1 ZINC000035777337 132339499 /nfs/dbraw/zinc/33/94/99/132339499.db2.gz XODDOTGYNKBYJO-NXEZZACHSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1ccc(N)cc1F ZINC000035783763 132339711 /nfs/dbraw/zinc/33/97/11/132339711.db2.gz QFRQIMKTAFGIKE-BDAKNGLRSA-N 0 0 224.279 2.022 10 0 BEAERN CC[C@H]1CCCN(c2ccc(N)nc2)C1 ZINC000036168951 132340220 /nfs/dbraw/zinc/34/02/20/132340220.db2.gz KDEHQYWDZCUGOP-JTQLQIEISA-N 0 0 205.305 2.290 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1cc(N)cc(F)c1 ZINC000037668009 132344950 /nfs/dbraw/zinc/34/49/50/132344950.db2.gz UIWFIRLVTHPZJA-BDAKNGLRSA-N 0 0 224.279 2.022 10 0 BEAERN C[C@@H]1CN(c2cc(N)cc(F)c2)C[C@@H](C)O1 ZINC000037666512 132345129 /nfs/dbraw/zinc/34/51/29/132345129.db2.gz YCTPWEHIPGJMBJ-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN C[C@@H]1CN(c2c(F)cc(N)cc2F)C[C@@H](C)O1 ZINC000038039796 132345868 /nfs/dbraw/zinc/34/58/68/132345868.db2.gz IPLRGOYGWSHSRE-HTQZYQBOSA-N 0 0 242.269 2.161 10 0 BEAERN CC(=O)c1ccc(N2CCC(=O)CC2)cc1 ZINC000039271876 132346593 /nfs/dbraw/zinc/34/65/93/132346593.db2.gz DXTNVVBYDATEFZ-UHFFFAOYSA-N 0 0 217.268 2.059 10 0 BEAERN OC[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000040412419 132347353 /nfs/dbraw/zinc/34/73/53/132347353.db2.gz PIIJCSQQCIGIRH-GFCCVEGCSA-N 0 0 242.322 2.444 10 0 BEAERN CC(C)(C)Nc1ncnc(N2CCCCC2)c1N ZINC000040680442 132348095 /nfs/dbraw/zinc/34/80/95/132348095.db2.gz IWSFJRHGUCENQR-UHFFFAOYSA-N 0 0 249.362 2.260 10 0 BEAERN CCCO[C@@H]1CCCN(c2ccc(N)cn2)C1 ZINC000042421208 132351562 /nfs/dbraw/zinc/35/15/62/132351562.db2.gz ZCCVNWTXAVTKBD-GFCCVEGCSA-N 0 0 235.331 2.059 10 0 BEAERN CCO[C@@H]1CCCN(c2cccc(F)c2N)C1 ZINC000042421404 132351569 /nfs/dbraw/zinc/35/15/69/132351569.db2.gz ULOUBWYTKKYMRN-SNVBAGLBSA-N 0 0 238.306 2.413 10 0 BEAERN CCO[C@@H]1CCCN(c2ccc(CO)cc2)C1 ZINC000042423405 132351715 /nfs/dbraw/zinc/35/17/15/132351715.db2.gz NIRIXULZTNCUBT-CQSZACIVSA-N 0 0 235.327 2.184 10 0 BEAERN C[C@H](O)c1ccccc1N1CCCC[C@@H]1CO ZINC000042432379 132352202 /nfs/dbraw/zinc/35/22/02/132352202.db2.gz QMRKROJHFXYEFP-NWDGAFQWSA-N 0 0 235.327 2.091 10 0 BEAERN COc1ccc(C)cc1N1CCC(=O)[C@@H](C)C1 ZINC000049693471 132356537 /nfs/dbraw/zinc/35/65/37/132356537.db2.gz DENHILIXCAPSGQ-NSHDSACASA-N 0 0 233.311 2.419 10 0 BEAERN Cc1cc(CO)ccc1N1C[C@@H](C)OC[C@@H]1C ZINC000050560819 132359126 /nfs/dbraw/zinc/35/91/26/132359126.db2.gz JQGVFHAHJTZSSW-NWDGAFQWSA-N 0 0 235.327 2.101 10 0 BEAERN Cc1cc(N2C[C@H](C)OC[C@@H]2C)ccc1CO ZINC000050582798 132359238 /nfs/dbraw/zinc/35/92/38/132359238.db2.gz GKFOZVKBWNGSJO-RYUDHWBXSA-N 0 0 235.327 2.101 10 0 BEAERN O=C([O-])CC[C@H]1CCCCN1c1cc[nH+]cc1 ZINC000050923854 132359440 /nfs/dbraw/zinc/35/94/40/132359440.db2.gz APLYCBWWSWWCNJ-LLVKDONJSA-N 0 0 234.299 2.305 10 0 BEAERN CCCC1CCN(c2ncc(N)cn2)CC1 ZINC000050893756 132359493 /nfs/dbraw/zinc/35/94/93/132359493.db2.gz IFOSTEDRNNMDLZ-UHFFFAOYSA-N 0 0 220.320 2.075 10 0 BEAERN Nc1ccc2c(c1)CCCN2CCCCCO ZINC000051021349 132359847 /nfs/dbraw/zinc/35/98/47/132359847.db2.gz INVMWYCVAUWVKE-UHFFFAOYSA-N 0 0 234.343 2.184 10 0 BEAERN Cc1ccc(N2CCCC[C@@H]2CCO)c(N)c1 ZINC000057384295 132365537 /nfs/dbraw/zinc/36/55/37/132365537.db2.gz LXKMNTYRFQXZES-GFCCVEGCSA-N 0 0 234.343 2.319 10 0 BEAERN CC1CC[NH+](c2ccc(N)c(C(=O)[O-])c2)CC1 ZINC000058013954 132367803 /nfs/dbraw/zinc/36/78/03/132367803.db2.gz NWKLIOXEYLFFCZ-UHFFFAOYSA-N 0 0 234.299 2.203 10 0 BEAERN c1ccc(N2CCO[C@H](c3ccncn3)C2)cc1 ZINC000072187501 132395270 /nfs/dbraw/zinc/39/52/70/132395270.db2.gz XDLZWERTYXCGNY-AWEZNQCLSA-N 0 0 241.294 2.055 10 0 BEAERN Nc1ccc(N2CCC[C@H](O)C2)c(C(F)F)c1 ZINC000104212107 132435297 /nfs/dbraw/zinc/43/52/97/132435297.db2.gz NNGJFDCFOXMAJG-VIFPVBQESA-N 0 0 242.269 2.168 10 0 BEAERN Cc1nnc(N2CCC[C@@H](C)C2)nc1Cl ZINC000040538771 132446822 /nfs/dbraw/zinc/44/68/22/132446822.db2.gz WWGNDKIDESUZJC-SSDOTTSWSA-N 0 0 226.711 2.070 10 0 BEAERN Cc1ccc2c(c1)N(C(=O)N(C)C)C[C@H](C)O2 ZINC000175770038 132446911 /nfs/dbraw/zinc/44/69/11/132446911.db2.gz NFGILIDQVKVLJE-JTQLQIEISA-N 0 0 234.299 2.264 10 0 BEAERN c1nsc(NCCc2ccccc2)n1 ZINC000083652332 133528233 /nfs/dbraw/zinc/52/82/33/133528233.db2.gz AVZKMRJIMMPQKN-UHFFFAOYSA-N 0 0 205.286 2.193 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCC[C@@H]1CCCO ZINC000164460052 133598835 /nfs/dbraw/zinc/59/88/35/133598835.db2.gz JADHHDBEILWSAB-VXGBXAGGSA-N 0 0 227.348 2.186 10 0 BEAERN CCN(C(=O)OC(C)C)c1ccncc1 ZINC000233407706 133668123 /nfs/dbraw/zinc/66/81/23/133668123.db2.gz QRGYEHPFNBYIOZ-UHFFFAOYSA-N 0 0 208.261 2.453 10 0 BEAERN O=C1NCCC[C@@H]1Sc1ccccc1 ZINC000034217087 133852984 /nfs/dbraw/zinc/85/29/84/133852984.db2.gz PFQWCMOJVWDVMD-JTQLQIEISA-N 0 0 207.298 2.057 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)C1CC(C)(C)C1 ZINC000335974591 134030978 /nfs/dbraw/zinc/03/09/78/134030978.db2.gz MRKUQWLHILTTNS-UWVGGRQHSA-N 0 0 225.332 2.058 10 0 BEAERN CC(C)CS(=O)(=O)N[C@H]1CCC12CCCC2 ZINC000336111379 134086628 /nfs/dbraw/zinc/08/66/28/134086628.db2.gz SMQNYMHMNDDDET-NSHDSACASA-N 0 0 245.388 2.285 10 0 BEAERN Cc1cc(N2CC[C@H]3CCC[C@H]32)nc(C)n1 ZINC000336143965 134101479 /nfs/dbraw/zinc/10/14/79/134101479.db2.gz DOVKHXRBVYGGIW-VXGBXAGGSA-N 0 0 217.316 2.472 10 0 BEAERN c1ccc2c(c1)N([C@H]1CCOC1)CC21CC1 ZINC000336145775 134102235 /nfs/dbraw/zinc/10/22/35/134102235.db2.gz QAWLNWKEPIOYJE-NSHDSACASA-N 0 0 215.296 2.327 10 0 BEAERN CC(C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632407 134252875 /nfs/dbraw/zinc/25/28/75/134252875.db2.gz CGFVTPZWUYWCMD-UHFFFAOYSA-N 0 0 231.255 2.331 10 0 BEAERN COC(C)(C)CCOc1ccc(CO)cc1 ZINC000218740992 134260205 /nfs/dbraw/zinc/26/02/05/134260205.db2.gz YEJUFYWPJUNBRR-UHFFFAOYSA-N 0 0 224.300 2.373 10 0 BEAERN C[C@H](NC(=O)N1CCCO[C@@H](C)C1)C(C)(C)C ZINC000171951202 134263172 /nfs/dbraw/zinc/26/31/72/134263172.db2.gz UNSNKAHEVSOCKW-QWRGUYRKSA-N 0 0 242.363 2.241 10 0 BEAERN Cc1ncc(CN[C@@H](C)c2nccnc2C)s1 ZINC000219131462 134274579 /nfs/dbraw/zinc/27/45/79/134274579.db2.gz WBEFNSYFFRSFCN-VIFPVBQESA-N 0 0 248.355 2.401 10 0 BEAERN CCC(CC)NC(=O)c1ncncc1Cl ZINC000175084627 134284535 /nfs/dbraw/zinc/28/45/35/134284535.db2.gz XPEMPWMLDVXBHK-UHFFFAOYSA-N 0 0 227.695 2.048 10 0 BEAERN CCSCC[C@@H](C)N(C)C(=O)[C@@H](C)COC ZINC000175576155 134288065 /nfs/dbraw/zinc/28/80/65/134288065.db2.gz HWJVZROWVJPQBF-WDEREUQCSA-N 0 0 247.404 2.259 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCCC2CCCC2)O1 ZINC000178013461 134302489 /nfs/dbraw/zinc/30/24/89/134302489.db2.gz MZJBFUGPKSBRPN-PWSUYJOCSA-N 0 0 225.332 2.250 10 0 BEAERN CC(C)(C)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178300159 134306181 /nfs/dbraw/zinc/30/61/81/134306181.db2.gz KGWSATNJGDPOEY-JSGCOSHPSA-N 0 0 247.338 2.197 10 0 BEAERN CC(C)CCC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178340493 134308909 /nfs/dbraw/zinc/30/89/09/134308909.db2.gz ZMOOQRNNJVZXTQ-DZGCQCFKSA-N 0 0 247.338 2.197 10 0 BEAERN CC[N@@H+]1CCC[C@H](Nc2nc(C(C)C)no2)C1 ZINC000180422925 134327213 /nfs/dbraw/zinc/32/72/13/134327213.db2.gz VGFBPSGXVIULQH-JTQLQIEISA-N 0 0 238.335 2.089 10 0 BEAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccoc1 ZINC000181257044 134334765 /nfs/dbraw/zinc/33/47/65/134334765.db2.gz NWJNSSWQGWGYKT-CABZTGNLSA-N 0 0 246.314 2.365 10 0 BEAERN COCCC[C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000181662788 134338322 /nfs/dbraw/zinc/33/83/22/134338322.db2.gz RCWWGGNEDNTGCR-MNOVXSKESA-N 0 0 245.388 2.013 10 0 BEAERN O=C(N[C@H]1CCCC[C@@H]1CO)C1CCCCC1 ZINC000225655720 134356459 /nfs/dbraw/zinc/35/64/59/134356459.db2.gz WAKULWQOVKLBBQ-OLZOCXBDSA-N 0 0 239.359 2.234 10 0 BEAERN O=C(N[C@H]1CCCC[C@H]1CO)C1CCCCC1 ZINC000225655752 134356711 /nfs/dbraw/zinc/35/67/11/134356711.db2.gz WAKULWQOVKLBBQ-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cccc2c1OCC[C@@H]2O ZINC000184574626 134363485 /nfs/dbraw/zinc/36/34/85/134363485.db2.gz LMVRXCXOQLHRRS-NDMJEZRESA-N 0 0 249.310 2.092 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2ccco2)o1 ZINC000226616625 134367903 /nfs/dbraw/zinc/36/79/03/134367903.db2.gz KZXQFINFWSNYOS-MRVPVSSYSA-N 0 0 220.228 2.067 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)C(C)(C)C)o1 ZINC000226613590 134368278 /nfs/dbraw/zinc/36/82/78/134368278.db2.gz OKMKKQJVBVUSDH-QMMMGPOBSA-N 0 0 210.277 2.206 10 0 BEAERN Cc1oncc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000185188894 134372302 /nfs/dbraw/zinc/37/23/02/134372302.db2.gz VRKGMJSEJAOWKM-QWHCGFSZSA-N 0 0 236.315 2.126 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2cccc(O)c2)o1 ZINC000227688255 134384267 /nfs/dbraw/zinc/38/42/67/134384267.db2.gz RXXSUTNICLHRQO-SECBINFHSA-N 0 0 246.266 2.180 10 0 BEAERN Cc1nc([C@H]2CCCN2c2ccc(F)cn2)no1 ZINC000408103241 134392209 /nfs/dbraw/zinc/39/22/09/134392209.db2.gz GKGSFLYTYWHHHF-SNVBAGLBSA-N 0 0 248.261 2.254 10 0 BEAERN C[C@@H](CC(=O)NC(C)(C)C)c1cccnc1 ZINC000062634167 134395298 /nfs/dbraw/zinc/39/52/98/134395298.db2.gz XJETZYJRFOKMBV-JTQLQIEISA-N 0 0 220.316 2.490 10 0 BEAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccsc1 ZINC000077205673 134410189 /nfs/dbraw/zinc/41/01/89/134410189.db2.gz OSXDMQIJNQPWNN-MWLCHTKSSA-N 0 0 239.340 2.029 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N(C)CC1(O)CCCC1 ZINC000230175459 134486385 /nfs/dbraw/zinc/48/63/85/134486385.db2.gz HCLRDAYPSXRWOC-RYUDHWBXSA-N 0 0 239.359 2.186 10 0 BEAERN CCN(CC(C)(C)O)C(=O)[C@H]1CCC[C@@H]1C ZINC000230173898 134486405 /nfs/dbraw/zinc/48/64/05/134486405.db2.gz VRBDTJGJGATODA-QWRGUYRKSA-N 0 0 227.348 2.042 10 0 BEAERN C[C@H](N(C)C(=O)[C@H]1CCCO[C@H]1C)C1(C)CC1 ZINC000189149094 134541026 /nfs/dbraw/zinc/54/10/26/134541026.db2.gz ZVVYSCLWJKRVIN-SRVKXCTJSA-N 0 0 239.359 2.449 10 0 BEAERN CCc1noc(C)c1NC(=O)Cc1ccoc1 ZINC000130755251 134622643 /nfs/dbraw/zinc/62/26/43/134622643.db2.gz RSOOEXJVKFLISM-UHFFFAOYSA-N 0 0 234.255 2.320 10 0 BEAERN CC[C@H](C)C[S@@](=O)CC(=O)NC(C)(C)CC ZINC000131789350 134634170 /nfs/dbraw/zinc/63/41/70/134634170.db2.gz KVUNMYHUDZLJAZ-QFYYESIMSA-N 0 0 247.404 2.086 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCCF ZINC000154193947 134665146 /nfs/dbraw/zinc/66/51/46/134665146.db2.gz QBDHOXQRXRZCDR-SKDRFNHKSA-N 0 0 237.274 2.027 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)[C@@H](C)C(C)C ZINC000155333426 134690035 /nfs/dbraw/zinc/69/00/35/134690035.db2.gz BXIKVCCKOCDNFS-SRVKXCTJSA-N 0 0 227.348 2.447 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000134269541 134706681 /nfs/dbraw/zinc/70/66/81/134706681.db2.gz GCYWTSRZAKDAEA-JOYOIKCWSA-N 0 0 244.294 2.075 10 0 BEAERN O=C(C1CCCCC1)N1CCC[C@H]1CCCO ZINC000052758565 134710865 /nfs/dbraw/zinc/71/08/65/134710865.db2.gz RDVQQBGSRZJUNG-ZDUSSCGKSA-N 0 0 239.359 2.330 10 0 BEAERN O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCC1 ZINC000134456305 134710923 /nfs/dbraw/zinc/71/09/23/134710923.db2.gz BRUXEADXFXVXGA-OLZOCXBDSA-N 0 0 230.311 2.394 10 0 BEAERN Nc1ccc(NC(=O)c2ccc(F)cc2F)cn1 ZINC000061680497 134800558 /nfs/dbraw/zinc/80/05/58/134800558.db2.gz ZYLVHJAKNGBINE-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN FC(F)(F)[C@@H]1NCCC[C@@H]1C(F)(F)F ZINC000307479860 134871959 /nfs/dbraw/zinc/87/19/59/134871959.db2.gz JWKCJWXTADEJAD-CRCLSJGQSA-N 0 0 221.144 2.479 10 0 BEAERN C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000246168719 134879127 /nfs/dbraw/zinc/87/91/27/134879127.db2.gz CEFYXSPYMLQDOR-FOGDFJRCSA-N 0 0 233.315 2.192 10 0 BEAERN Cc1nn(C)cc1NC(=O)N1CCCC2(CC2)C1 ZINC000189667856 134944226 /nfs/dbraw/zinc/94/42/26/134944226.db2.gz DTSZMZGLAXHLAG-UHFFFAOYSA-N 0 0 248.330 2.136 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H]1C ZINC000248616677 135017513 /nfs/dbraw/zinc/01/75/13/135017513.db2.gz ARLBRNDZKVDIBF-RNJOBUHISA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000248829125 135023125 /nfs/dbraw/zinc/02/31/25/135023125.db2.gz HSIHRDHCABGCII-XQHKEYJVSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CCCCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000248964095 135028104 /nfs/dbraw/zinc/02/81/04/135028104.db2.gz NKBULXSWRFUUHY-GRYCIOLGSA-N 0 0 225.332 2.203 10 0 BEAERN C=Cn1cc(CN2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000249058377 135032239 /nfs/dbraw/zinc/03/22/39/135032239.db2.gz ZHIKMPIWYVKHMD-KGLIPLIRSA-N 0 0 247.342 2.127 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)co1 ZINC000249071344 135032437 /nfs/dbraw/zinc/03/24/37/135032437.db2.gz LCSWDZYPXCKMKM-QJPTWQEYSA-N 0 0 249.310 2.131 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H](C)C1 ZINC000249295984 135043247 /nfs/dbraw/zinc/04/32/47/135043247.db2.gz BYDSIFWCTGJWFM-AGIUHOORSA-N 0 0 239.359 2.450 10 0 BEAERN CCn1ccnc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000249865099 135046591 /nfs/dbraw/zinc/04/65/91/135046591.db2.gz HSDVINUQXSHNDF-CHWSQXEVSA-N 0 0 249.358 2.046 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000249906106 135047180 /nfs/dbraw/zinc/04/71/80/135047180.db2.gz HDPFSSJNOOYKMG-FIQHERPVSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000250061017 135048174 /nfs/dbraw/zinc/04/81/74/135048174.db2.gz MZASSYJSZTXZLS-CYZMBNFOSA-N 0 0 247.342 2.098 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000077367522 135062729 /nfs/dbraw/zinc/06/27/29/135062729.db2.gz XPLICTSRQHZLPV-QWRGUYRKSA-N 0 0 246.310 2.437 10 0 BEAERN C[C@H](NC(=O)N1CCCC[C@@H]1C)[C@H]1CCCO1 ZINC000251569907 135071360 /nfs/dbraw/zinc/07/13/60/135071360.db2.gz AQJIYFXQUCKCSB-SDDRHHMPSA-N 0 0 240.347 2.138 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H]1CCCCC[C@H]1O ZINC000252853189 135113114 /nfs/dbraw/zinc/11/31/14/135113114.db2.gz GMDXMKITYKIQLY-SDDRHHMPSA-N 0 0 227.348 2.232 10 0 BEAERN CCC1(O)CN(Cc2ccc(F)cc2Cl)C1 ZINC000084359365 135213369 /nfs/dbraw/zinc/21/33/69/135213369.db2.gz SZDMFGAGGARQPM-UHFFFAOYSA-N 0 0 243.709 2.436 10 0 BEAERN Nc1cccc2c1CCCN2Cc1ccon1 ZINC000261913168 135262602 /nfs/dbraw/zinc/26/26/02/135262602.db2.gz YSZLKGHLWQXGLV-UHFFFAOYSA-N 0 0 229.283 2.210 10 0 BEAERN CCCCN(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000079487643 135327652 /nfs/dbraw/zinc/32/76/52/135327652.db2.gz NYGKQPOAYHXJQI-VXGBXAGGSA-N 0 0 242.363 2.386 10 0 BEAERN O=C(CC1CCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000079614544 135341482 /nfs/dbraw/zinc/34/14/82/135341482.db2.gz GYZUJSKEHLXWLG-STQMWFEESA-N 0 0 237.343 2.347 10 0 BEAERN O=C(CC1CCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000079614532 135342044 /nfs/dbraw/zinc/34/20/44/135342044.db2.gz GYZUJSKEHLXWLG-CHWSQXEVSA-N 0 0 237.343 2.347 10 0 BEAERN Cc1cccc(CC[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000263479797 135356690 /nfs/dbraw/zinc/35/66/90/135356690.db2.gz GBQKGSLUMAEJOC-UHFFFAOYSA-N 0 0 235.327 2.333 10 0 BEAERN Cc1ccc2c(c1)[C@@H]([NH+]1CC(C(=O)[O-])C1)[C@H](C)C2 ZINC000263524483 135357857 /nfs/dbraw/zinc/35/78/57/135357857.db2.gz SQKOLNHFTJIJQD-YGRLFVJLSA-N 0 0 245.322 2.245 10 0 BEAERN CCC(C)(C)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000080511226 135379289 /nfs/dbraw/zinc/37/92/89/135379289.db2.gz NXVURRDUPXFROY-SNVBAGLBSA-N 0 0 235.331 2.065 10 0 BEAERN Cc1coc(C)c1C(=O)N1[C@H](C)COC[C@H]1C ZINC000334382329 135381122 /nfs/dbraw/zinc/38/11/22/135381122.db2.gz KGVWBQQSZFSNLF-NXEZZACHSA-N 0 0 237.299 2.146 10 0 BEAERN CC1(C(=O)NC[C@H]2CCCC[C@H]2O)CCCC1 ZINC000077152429 135390994 /nfs/dbraw/zinc/39/09/94/135390994.db2.gz JLQSMRDRVLHACO-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](O)C2)cc1C ZINC000335080110 135408325 /nfs/dbraw/zinc/40/83/25/135408325.db2.gz BDVZZWGTABFZGD-HZMBPMFUSA-N 0 0 247.338 2.146 10 0 BEAERN C[C@H]1C[C@H](O)CN(c2nc3ccccc3o2)C1 ZINC000335235734 135409629 /nfs/dbraw/zinc/40/96/29/135409629.db2.gz HQSHBAUUXSDERS-UWVGGRQHSA-N 0 0 232.283 2.035 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccccc2N)o1 ZINC000083887903 135459239 /nfs/dbraw/zinc/45/92/39/135459239.db2.gz JSZUNRKXUMTJJZ-VIFPVBQESA-N 0 0 245.282 2.056 10 0 BEAERN CNC(=O)c1ccc(C)c(NCc2cc[nH]c2)c1 ZINC000090994557 135557583 /nfs/dbraw/zinc/55/75/83/135557583.db2.gz RENPRKBLEIEKKT-UHFFFAOYSA-N 0 0 243.310 2.295 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nccc(OC)n1 ZINC000231663805 135627276 /nfs/dbraw/zinc/62/72/76/135627276.db2.gz DFWLIGMAWWSVQK-IUCAKERBSA-N 0 0 207.277 2.086 10 0 BEAERN Fc1ccc2c(c1)[C@@H](N1CCCO1)CC2 ZINC000335179056 135936942 /nfs/dbraw/zinc/93/69/42/135936942.db2.gz QLXOSYJJYUPWMB-LBPRGKRZSA-N 0 0 207.248 2.450 10 0 BEAERN O=C(N[C@H]1CC12CCCCC2)N1CC[C@H](F)C1 ZINC000335242595 135985384 /nfs/dbraw/zinc/98/53/84/135985384.db2.gz UFGLHRXNESFFLU-QWRGUYRKSA-N 0 0 240.322 2.463 10 0 BEAERN CC1(C)CC[C@@H](n2ncc3c2C[C@H](O)CC3)C1 ZINC000335301115 136020118 /nfs/dbraw/zinc/02/01/18/136020118.db2.gz VPRKIQZXLLJYJU-VXGBXAGGSA-N 0 0 234.343 2.484 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)C2CCCCCC2)C1 ZINC000335355704 136070903 /nfs/dbraw/zinc/07/09/03/136070903.db2.gz FUINHGKFQSRKTI-AAEUAGOBSA-N 0 0 239.359 2.186 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2ccccn2)C1 ZINC000301777323 397791924 /nfs/dbraw/zinc/79/19/24/397791924.db2.gz LUKYABURMBEMIP-QWRGUYRKSA-N 0 0 206.289 2.451 10 0 BEAERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1cccs1 ZINC000178864877 397850366 /nfs/dbraw/zinc/85/03/66/397850366.db2.gz UYJOLJLTBNQUBW-UWVGGRQHSA-N 0 0 241.356 2.332 10 0 BEAERN Cc1cnc(CN2CCS[C@@H](C)C2)s1 ZINC000180473405 397857688 /nfs/dbraw/zinc/85/76/88/397857688.db2.gz KGNQTCARKUBZRE-VIFPVBQESA-N 0 0 228.386 2.389 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCCC1(F)F ZINC000306873550 397932048 /nfs/dbraw/zinc/93/20/48/397932048.db2.gz XXIOUZKUVXZTEU-LURJTMIESA-N 0 0 209.623 2.043 10 0 BEAERN FCCCNc1cc(Br)ncn1 ZINC000306621632 397946135 /nfs/dbraw/zinc/94/61/35/397946135.db2.gz ZMRWYZXYNRQIAP-UHFFFAOYSA-N 0 0 234.072 2.011 10 0 BEAERN CC[N@@H+]1CCC[C@H](Nc2ccnc(C(C)C)n2)C1 ZINC000110261064 397903832 /nfs/dbraw/zinc/90/38/32/397903832.db2.gz ZHAACOMKQPQQGC-LBPRGKRZSA-N 0 0 248.374 2.496 10 0 BEAERN C[C@@H]1C[C@]1(C)Nc1nsnc1Cl ZINC000575592354 397990760 /nfs/dbraw/zinc/99/07/60/397990760.db2.gz ULSZMQPDHGWJJJ-FBCQKBJTSA-N 0 0 203.698 2.402 10 0 BEAERN N#CNc1cc(Cl)c(Br)cn1 ZINC000575595957 398007686 /nfs/dbraw/zinc/00/76/86/398007686.db2.gz HFSFCLIWETXDGA-UHFFFAOYSA-N 0 0 232.468 2.390 10 0 BEAERN Brc1nnc([C@H]2CC23CC3)o1 ZINC000575597659 398012762 /nfs/dbraw/zinc/01/27/62/398012762.db2.gz OOMVXOGHEKGYIM-SCSAIBSYSA-N 0 0 215.050 2.100 10 0 BEAERN COc1c(O)ccc(Br)c1C ZINC000039040068 398026675 /nfs/dbraw/zinc/02/66/75/398026675.db2.gz DYBRXOGMQKOJSD-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COc1ccc(C(=O)c2ccsn2)cc1 ZINC000306636933 397970464 /nfs/dbraw/zinc/97/04/64/397970464.db2.gz BGUXWGOZKHRFGW-UHFFFAOYSA-N 0 0 219.265 2.383 10 0 BEAERN N[C@H](c1occc1Br)C1=CCCO1 ZINC000575509703 397970595 /nfs/dbraw/zinc/97/05/95/397970595.db2.gz ZMGTZSQPBCTPIS-QMMMGPOBSA-N 0 0 244.088 2.346 10 0 BEAERN CC(C)C[C@@]1(C(=O)[O-])[NH2+]CCc2ccsc21 ZINC000584883735 397981432 /nfs/dbraw/zinc/98/14/32/397981432.db2.gz BCHOUWNJJIPKIF-GFCCVEGCSA-N 0 0 239.340 2.220 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000307120222 397981670 /nfs/dbraw/zinc/98/16/70/397981670.db2.gz HJVURSYYXKZRRT-CBAPKCEASA-N 0 0 201.697 2.434 10 0 BEAERN Cc1ncsc1-c1ccc(=S)[nH]n1 ZINC000575466954 397987261 /nfs/dbraw/zinc/98/72/61/397987261.db2.gz VUGFSXVBDXIKEP-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC1N=NC(=S)N1C(C)(C)C(F)(F)F ZINC000307142847 397988402 /nfs/dbraw/zinc/98/84/02/397988402.db2.gz FFGBPZJCSNGRHW-UHFFFAOYSA-N 0 0 225.239 2.173 10 0 BEAERN COC1CC(c2nc(Cl)ns2)C1 ZINC000575467155 397989376 /nfs/dbraw/zinc/98/93/76/397989376.db2.gz LSFIXJZMZVBKFF-UHFFFAOYSA-N 0 0 204.682 2.084 10 0 BEAERN CCOC(=O)c1c(CC)cc(N)cc1OC ZINC000575724713 398069648 /nfs/dbraw/zinc/06/96/48/398069648.db2.gz QPERQLAGMGEKKJ-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCCCNCC1=N[C@@H](c2ccccc2)N(C)O1 ZINC000584614094 398078008 /nfs/dbraw/zinc/07/80/08/398078008.db2.gz ONKFNLLKKBQYFS-CQSZACIVSA-N 0 0 247.342 2.350 10 0 BEAERN CC(C)[C@@H]1COC(=O)N1C(=O)CC12CC(C1)C2 ZINC000584627360 398080244 /nfs/dbraw/zinc/08/02/44/398080244.db2.gz VGFIOTZARAWXQH-QUNCOHTASA-N 0 0 237.299 2.180 10 0 BEAERN O=c1nc(-c2ccccc2)oc2ncccc12 ZINC000584627490 398080301 /nfs/dbraw/zinc/08/03/01/398080301.db2.gz RVNUEZZPVMPALP-UHFFFAOYSA-N 0 0 224.219 2.250 10 0 BEAERN Cc1csc(/C=C/C(=O)NC(C)(C)C)n1 ZINC000584647706 398080887 /nfs/dbraw/zinc/08/08/87/398080887.db2.gz JUHCPKNEAVMSCE-AATRIKPKSA-N 0 0 224.329 2.379 10 0 BEAERN O=C1C[C@H](Sc2ccccc2)CCO1 ZINC000584634564 398083609 /nfs/dbraw/zinc/08/36/09/398083609.db2.gz NWWSRSXWZLIJQM-SNVBAGLBSA-N 0 0 208.282 2.484 10 0 BEAERN CN(C)C(=O)Oc1cc2c(cc1Cl)OCO2 ZINC000584639650 398084083 /nfs/dbraw/zinc/08/40/83/398084083.db2.gz DSAIGPSVTXCNON-UHFFFAOYSA-N 0 0 243.646 2.129 10 0 BEAERN CO[C@]1(C)OC(=O)c2cc(Cl)ccc21 ZINC000584639675 398084098 /nfs/dbraw/zinc/08/40/98/398084098.db2.gz MKXLNRZYEXHSJF-SNVBAGLBSA-N 0 0 212.632 2.330 10 0 BEAERN CC(C)=CCNc1ncnc2[nH]c(=S)[nH]c21 ZINC000584639631 398084102 /nfs/dbraw/zinc/08/41/02/398084102.db2.gz XZLZAGSYTRDVCK-UHFFFAOYSA-N 0 0 235.316 2.020 10 0 BEAERN C=COC(=O)CCc1ccc(O)c(OC)c1 ZINC000584644834 398085137 /nfs/dbraw/zinc/08/51/37/398085137.db2.gz OEDFXSDQIUHLHA-UHFFFAOYSA-N 0 0 222.240 2.020 10 0 BEAERN CC(=O)Oc1ccccc1CC(=O)C(F)(F)F ZINC000197166463 398087350 /nfs/dbraw/zinc/08/73/50/398087350.db2.gz ZSEQIBDHGNGNSP-UHFFFAOYSA-N 0 0 246.184 2.286 10 0 BEAERN CC(C)c1nnc(CN2CCC[C@H](C)C2)n1C ZINC000195008247 398057346 /nfs/dbraw/zinc/05/73/46/398057346.db2.gz QUJNQPXKTHURBY-NSHDSACASA-N 0 0 236.363 2.170 10 0 BEAERN C[C@@H]1C[C@@](O)(CC[C@H]2CCCO2)CS1 ZINC000252183754 398108137 /nfs/dbraw/zinc/10/81/37/398108137.db2.gz TZLGMJPTROJKHU-MXWKQRLJSA-N 0 0 216.346 2.202 10 0 BEAERN O[C@H](c1ccsc1Cl)c1ccncn1 ZINC000306155089 398111847 /nfs/dbraw/zinc/11/18/47/398111847.db2.gz BYQLJMDOFGISGK-MRVPVSSYSA-N 0 0 226.688 2.273 10 0 BEAERN CCc1ccc(O[C@H](C)C(=O)NC2CC2)cc1 ZINC000070236184 398128714 /nfs/dbraw/zinc/12/87/14/398128714.db2.gz DAYQUBBAWJWJGN-SNVBAGLBSA-N 0 0 233.311 2.295 10 0 BEAERN CC(C)OC(=O)N[C@H]1CSC1(C)C ZINC000306830952 322865536 /nfs/dbraw/zinc/86/55/36/322865536.db2.gz LZINBUHHDGUTQJ-ZETCQYMHSA-N 0 0 203.307 2.015 10 0 BEAERN CC(C)NC(=O)CNc1ccc(Cl)c(F)c1 ZINC000042580160 167061225 /nfs/dbraw/zinc/06/12/25/167061225.db2.gz CMHYSRUMVZPNRX-UHFFFAOYSA-N 0 0 244.697 2.416 10 0 BEAERN CC(C)NC(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000020209395 167079817 /nfs/dbraw/zinc/07/98/17/167079817.db2.gz KOEUGASEEUHOQI-VIFPVBQESA-N 0 0 221.304 2.236 10 0 BEAERN COCCSc1ccc(F)cc1N ZINC000037195051 174376308 /nfs/dbraw/zinc/37/63/08/174376308.db2.gz FXODVBPSWKRTFX-UHFFFAOYSA-N 0 0 201.266 2.146 10 0 BEAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000037183149 167129576 /nfs/dbraw/zinc/12/95/76/167129576.db2.gz GVEAUFZSYQFMIS-SNVBAGLBSA-N 0 0 229.226 2.089 10 0 BEAERN CC(C)Nc1ccc(N2CCCC2=O)cn1 ZINC000132167246 167146871 /nfs/dbraw/zinc/14/68/71/167146871.db2.gz ONRCIRKZBOWIPW-UHFFFAOYSA-N 0 0 219.288 2.029 10 0 BEAERN CC[C@@H]([NH2+]Cc1cncs1)[C@@H]1CCCO1 ZINC000119665170 487559941 /nfs/dbraw/zinc/55/99/41/487559941.db2.gz REQYKAASJGJMEG-MNOVXSKESA-N 0 0 226.345 2.190 10 0 BEAERN CC[C@H](O)CCNc1nc(C)cc(C(C)C)n1 ZINC000135081367 487560052 /nfs/dbraw/zinc/56/00/52/487560052.db2.gz HYEMJFAEZUXLBL-NSHDSACASA-N 0 0 237.347 2.481 10 0 BEAERN Cc1cc(Br)cc2[nH]c(=NN)oc21 ZINC000062533557 177723309 /nfs/dbraw/zinc/72/33/09/177723309.db2.gz JMXHGXHLCVGNQU-UHFFFAOYSA-N 0 0 242.076 2.184 10 0 BEAERN Cc1cc(Br)cc2c1NC(=O)CO2 ZINC000045328865 177723315 /nfs/dbraw/zinc/72/33/15/177723315.db2.gz IYSDCEZFENKVMP-UHFFFAOYSA-N 0 0 242.072 2.088 10 0 BEAERN CCN(C)c1noc(-c2ccc(O)cc2F)n1 ZINC000232390464 487579271 /nfs/dbraw/zinc/57/92/71/487579271.db2.gz UYWVVKVYKBGWFD-UHFFFAOYSA-N 0 0 237.234 2.037 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2c1CCCC2 ZINC000674485982 487587357 /nfs/dbraw/zinc/58/73/57/487587357.db2.gz OOTRUIRFBYSGRO-BXKDBHETSA-N 0 0 247.342 2.207 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1n[nH]c2c1CCCC2 ZINC000674485984 487587474 /nfs/dbraw/zinc/58/74/74/487587474.db2.gz OOTRUIRFBYSGRO-JOYOIKCWSA-N 0 0 247.342 2.207 10 0 BEAERN CC(C)OC[C@@H](O)c1ccc(F)c(F)c1 ZINC000086519365 167263592 /nfs/dbraw/zinc/26/35/92/167263592.db2.gz MBISSGUSVKSDTE-LLVKDONJSA-N 0 0 216.227 2.423 10 0 BEAERN CCNc1cc(-c2cccnc2)nc(C)n1 ZINC000082304088 487591133 /nfs/dbraw/zinc/59/11/33/487591133.db2.gz YDLYRUOLYRYSFX-UHFFFAOYSA-N 0 0 214.272 2.279 10 0 BEAERN CCc1cnc(CN[C@H](C)c2ncc(C)o2)o1 ZINC000680424041 487591462 /nfs/dbraw/zinc/59/14/62/487591462.db2.gz UGBJMEYINMLRIY-SECBINFHSA-N 0 0 235.287 2.384 10 0 BEAERN CC(C)Oc1cncc(N[C@H]2C[C@H]2C)n1 ZINC000123625537 167311701 /nfs/dbraw/zinc/31/17/01/167311701.db2.gz BFZOSZSJJCWYJC-BDAKNGLRSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1nc(C=O)ccc1OC1CC1 ZINC000095741459 167313217 /nfs/dbraw/zinc/31/32/17/167313217.db2.gz PUCYJGLBONXGPP-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CCCc1noc(C[C@]2(O)CC[C@H](C)C2)n1 ZINC000536955697 487604084 /nfs/dbraw/zinc/60/40/84/487604084.db2.gz QEYPWTOAGKOXPA-CABZTGNLSA-N 0 0 224.304 2.116 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc(COC)o1 ZINC000127827786 409661202 /nfs/dbraw/zinc/66/12/02/409661202.db2.gz SVINEBCZPPRAPG-VIFPVBQESA-N 0 0 225.288 2.297 10 0 BEAERN Brc1cc(CN2CCCC2)on1 ZINC000292302174 166095578 /nfs/dbraw/zinc/09/55/78/166095578.db2.gz ZVNJXTRNOTXNHK-UHFFFAOYSA-N 0 0 231.093 2.033 10 0 BEAERN Brc1cc2c(cn1)NCCC2 ZINC000095762343 166096645 /nfs/dbraw/zinc/09/66/45/166096645.db2.gz ATIUYPQOGGVTSK-UHFFFAOYSA-N 0 0 213.078 2.202 10 0 BEAERN Brc1cncc(-c2ccncc2)n1 ZINC000044121658 166104805 /nfs/dbraw/zinc/10/48/05/166104805.db2.gz RLIAHHHOPNNIHG-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cccc(-n2nccn2)c1 ZINC000091362063 166102154 /nfs/dbraw/zinc/10/21/54/166102154.db2.gz BJYCBJPBIYILHA-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cn2c(n1)SCCC2 ZINC000082367856 166104045 /nfs/dbraw/zinc/10/40/45/166104045.db2.gz RZLOYLCQYPSJOL-UHFFFAOYSA-N 0 0 219.107 2.141 10 0 BEAERN CCCc1nccnc1NC[C@@H]1C[C@@H]1C ZINC000663389676 410176372 /nfs/dbraw/zinc/17/63/72/410176372.db2.gz UGADHEHFUGVGFE-UWVGGRQHSA-N 0 0 205.305 2.497 10 0 BEAERN Brc1cncc(-c2ncco2)c1 ZINC000090411144 166105001 /nfs/dbraw/zinc/10/50/01/166105001.db2.gz GOAIPNFWVDIVCD-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1csc([C@@H]2CCOC2)n1 ZINC000044122093 166105581 /nfs/dbraw/zinc/10/55/81/166105581.db2.gz ANLOJPXKDMEGFC-RXMQYKEDSA-N 0 0 234.118 2.410 10 0 BEAERN Brc1cnn(-c2ccco2)c1 ZINC000072193381 166106359 /nfs/dbraw/zinc/10/63/59/166106359.db2.gz LNKGPNNPAWQSKA-UHFFFAOYSA-N 0 0 213.034 2.228 10 0 BEAERN CC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC000199544442 322926207 /nfs/dbraw/zinc/92/62/07/322926207.db2.gz LFLFOZSBJBJOHR-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN CCC[C@H](C)C[N@@H+](CC(=O)[O-])CC1CC1 ZINC000051322566 410447017 /nfs/dbraw/zinc/44/70/17/410447017.db2.gz TUCGCGDEPZZLML-JTQLQIEISA-N 0 0 213.321 2.219 10 0 BEAERN CC(C)[C@@]1(CO)CCNc2ccccc21 ZINC000142002763 410520048 /nfs/dbraw/zinc/52/00/48/410520048.db2.gz NSKRVLXQKABUMG-ZDUSSCGKSA-N 0 0 205.301 2.388 10 0 BEAERN CCN(CC)C(=O)c1ccc(-c2ncon2)cc1 ZINC000107083656 169759761 /nfs/dbraw/zinc/75/97/61/169759761.db2.gz IQIGLXFEGINKFQ-UHFFFAOYSA-N 0 0 245.282 2.219 10 0 BEAERN CC(=O)c1c[nH]c(C(=O)N[C@@H](C)CC2CC2)c1 ZINC000112691031 166437039 /nfs/dbraw/zinc/43/70/39/166437039.db2.gz SPALLBCWGUHXKA-QMMMGPOBSA-N 0 0 234.299 2.136 10 0 BEAERN CC(=O)c1ccc(F)cc1OCc1ccn(C)n1 ZINC000211634793 166462559 /nfs/dbraw/zinc/46/25/59/166462559.db2.gz BHFDXZSTFRUFTD-UHFFFAOYSA-N 0 0 248.257 2.341 10 0 BEAERN CC(=O)c1cccc2c1[C@@H](C)CN2C(C)=O ZINC000022005163 166479579 /nfs/dbraw/zinc/47/95/79/166479579.db2.gz KLDKJOBVHDWPEU-QMMMGPOBSA-N 0 0 217.268 2.359 10 0 BEAERN CC(C)(C)NC(=O)CSc1ccc(N)cc1 ZINC000016972241 166618434 /nfs/dbraw/zinc/61/84/34/166618434.db2.gz XEOXSHYXKHILIV-UHFFFAOYSA-N 0 0 238.356 2.276 10 0 BEAERN CC(C)(C)Nc1cc2c(cc1N)NC(=O)CC2 ZINC000035341299 166638046 /nfs/dbraw/zinc/63/80/46/166638046.db2.gz IAVJZBXEMWTKMX-UHFFFAOYSA-N 0 0 233.315 2.364 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1CNc2ccccc2O1 ZINC000037729901 166671884 /nfs/dbraw/zinc/67/18/84/166671884.db2.gz OBZCBVJXVUTQII-NSHDSACASA-N 0 0 235.283 2.201 10 0 BEAERN CC(C)(C)OCC(=O)N[C@@H]1COc2ccccc21 ZINC000158503298 166677366 /nfs/dbraw/zinc/67/73/66/166677366.db2.gz HLFVHNBWXJSKCT-LLVKDONJSA-N 0 0 249.310 2.051 10 0 BEAERN CC(C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172976266 166723433 /nfs/dbraw/zinc/72/34/33/166723433.db2.gz KPTFPBSHGDOBCO-LBPRGKRZSA-N 0 0 235.327 2.364 10 0 BEAERN CC(C)C1(CNC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000120488560 166744893 /nfs/dbraw/zinc/74/48/93/166744893.db2.gz KBBSSIHPLITVJN-QWRGUYRKSA-N 0 0 225.332 2.106 10 0 BEAERN CC(C)CNC(=O)[C@@H](C)Nc1ccccc1 ZINC000020312326 166993337 /nfs/dbraw/zinc/99/33/37/166993337.db2.gz FKJNCBRHUVGYHY-LLVKDONJSA-N 0 0 220.316 2.259 10 0 BEAERN Cc1ccc(CN(C)c2cc(CO)ccn2)o1 ZINC000040877780 410896455 /nfs/dbraw/zinc/89/64/55/410896455.db2.gz JJUSNDGBLWJTFN-UHFFFAOYSA-N 0 0 232.283 2.112 10 0 BEAERN CC(C)CNc1ncc(Br)cc1N ZINC000036226285 167019109 /nfs/dbraw/zinc/01/91/09/167019109.db2.gz GUCKIPSRZKIYIA-UHFFFAOYSA-N 0 0 244.136 2.494 10 0 BEAERN CC(C)CNc1nccn(C(C)(C)C)c1=O ZINC000061762008 167019932 /nfs/dbraw/zinc/01/99/32/167019932.db2.gz PTOLFGFVLRKZGP-UHFFFAOYSA-N 0 0 223.320 2.066 10 0 BEAERN CC(C)NC(=O)CNc1cccc(Cl)c1F ZINC000020361658 167061077 /nfs/dbraw/zinc/06/10/77/167061077.db2.gz IQKBUFVAANNLOR-UHFFFAOYSA-N 0 0 244.697 2.416 10 0 BEAERN CC(C)NC(=O)N[C@@H](C)c1cccc(N)c1 ZINC000037178914 167076115 /nfs/dbraw/zinc/07/61/15/167076115.db2.gz RIVQUESDEBMEQX-VIFPVBQESA-N 0 0 221.304 2.037 10 0 BEAERN CC(C)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000045112522 167076813 /nfs/dbraw/zinc/07/68/13/167076813.db2.gz JDAIUWJZZDNTJK-NSHDSACASA-N 0 0 234.299 2.218 10 0 BEAERN CC(C)NC(=O)Nc1cc(Cl)ccc1N ZINC000020209064 167077656 /nfs/dbraw/zinc/07/76/56/167077656.db2.gz HZIYUBGFFGTZLQ-UHFFFAOYSA-N 0 0 227.695 2.452 10 0 BEAERN CC(C)NC(=O)N[C@H](C)c1cccc(N)c1 ZINC000037178916 167078098 /nfs/dbraw/zinc/07/80/98/167078098.db2.gz RIVQUESDEBMEQX-SECBINFHSA-N 0 0 221.304 2.037 10 0 BEAERN CC(C)NC(=O)c1cccc(Cl)c1N ZINC000008699955 167088389 /nfs/dbraw/zinc/08/83/89/167088389.db2.gz HBKSXNHXJXFCAY-UHFFFAOYSA-N 0 0 212.680 2.060 10 0 BEAERN CC(C)[NH2+][C@@H](CCc1ccccc1)C(=O)[O-] ZINC000034875677 167132286 /nfs/dbraw/zinc/13/22/86/167132286.db2.gz JVFZNQCNFRBQPP-LBPRGKRZSA-N 0 0 221.300 2.070 10 0 BEAERN CC(C)[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000077401624 167133766 /nfs/dbraw/zinc/13/37/66/167133766.db2.gz PBVGOCPUZZTJLH-ZDUSSCGKSA-N 0 0 246.310 2.162 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1cc(F)ccc1F ZINC000038115529 167135870 /nfs/dbraw/zinc/13/58/70/167135870.db2.gz UDZJQTZQOAQYJZ-LBPRGKRZSA-N 0 0 229.270 2.170 10 0 BEAERN CC(C)Nc1ccnc(C(F)(F)F)n1 ZINC000038545745 167149484 /nfs/dbraw/zinc/14/94/84/167149484.db2.gz NIERCOWMJPQVPZ-UHFFFAOYSA-N 0 0 205.183 2.316 10 0 BEAERN CC(C)Nc1ncnc(NCc2ccco2)c1N ZINC000040708135 167151371 /nfs/dbraw/zinc/15/13/71/167151371.db2.gz PAZFHEHYBQUBNX-UHFFFAOYSA-N 0 0 247.302 2.084 10 0 BEAERN CC(C)OC(=O)N(C)c1ccccc1N ZINC000050014876 167161504 /nfs/dbraw/zinc/16/15/04/167161504.db2.gz UMOBDKKRWYHIFT-UHFFFAOYSA-N 0 0 208.261 2.250 10 0 BEAERN CC(C)OC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000295743915 167161944 /nfs/dbraw/zinc/16/19/44/167161944.db2.gz QANHRMGRYXZPQF-LLVKDONJSA-N 0 0 237.303 2.102 10 0 BEAERN CC(C)OC(=O)Cn1cc(CO)c2ccccc21 ZINC000077009089 167162259 /nfs/dbraw/zinc/16/22/59/167162259.db2.gz ACCPYWVPSPVIQY-UHFFFAOYSA-N 0 0 247.294 2.085 10 0 BEAERN CC(C)OC(=O)Nc1cc(N)ccc1F ZINC000044238583 167166220 /nfs/dbraw/zinc/16/62/20/167166220.db2.gz HAQYKRVJJNHQPM-UHFFFAOYSA-N 0 0 212.224 2.365 10 0 BEAERN CC(C)OCC(=O)Nc1ccc(N)cc1Cl ZINC000019270691 167191096 /nfs/dbraw/zinc/19/10/96/167191096.db2.gz HRXRZISKYGCGKF-UHFFFAOYSA-N 0 0 242.706 2.286 10 0 BEAERN CC[NH+](CC)C[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000041281803 169784492 /nfs/dbraw/zinc/78/44/92/169784492.db2.gz PARRXEVDRLXPTH-GFCCVEGCSA-N 0 0 239.290 2.336 10 0 BEAERN CC(C)OC[C@H]1CCCC(=S)N1C ZINC000039124932 167271746 /nfs/dbraw/zinc/27/17/46/167271746.db2.gz FGVUGGGJUUJNDI-SECBINFHSA-N 0 0 201.335 2.223 10 0 BEAERN CC(C)Oc1c2ccccc2oc1C(N)=O ZINC000013603774 167284320 /nfs/dbraw/zinc/28/43/20/167284320.db2.gz LLHAHGGXCFZOKW-UHFFFAOYSA-N 0 0 219.240 2.319 10 0 BEAERN CC(C)Oc1cc(C=O)c(OC2CC2)cn1 ZINC000095723457 167285035 /nfs/dbraw/zinc/28/50/35/167285035.db2.gz UDQQSOWFJPRWDF-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN O=C1[C@@H]2CCCC2=NN1Cc1ccccc1 ZINC000103751882 410913019 /nfs/dbraw/zinc/91/30/19/410913019.db2.gz DQMMJKBAEYMXCK-LLVKDONJSA-N 0 0 214.268 2.185 10 0 BEAERN O=C1[C@H]2CCCC2=NN1Cc1ccccc1 ZINC000103751885 410913341 /nfs/dbraw/zinc/91/33/41/410913341.db2.gz DQMMJKBAEYMXCK-NSHDSACASA-N 0 0 214.268 2.185 10 0 BEAERN CC(C)Oc1ccnc(C=O)c1OC1CC1 ZINC000095720051 167312019 /nfs/dbraw/zinc/31/20/19/167312019.db2.gz UCXRPGUMDGBVCL-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1nccnc1N[C@@H]1C[C@H]1C ZINC000302228756 167316422 /nfs/dbraw/zinc/31/64/22/167316422.db2.gz QZCQBFHOKCMCOK-RKDXNWHRSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114407675 167357708 /nfs/dbraw/zinc/35/77/08/167357708.db2.gz NKKADVWIKUIIOZ-CMPLNLGQSA-N 0 0 249.358 2.065 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000120443189 167376257 /nfs/dbraw/zinc/37/62/57/167376257.db2.gz AYQUQPPDSKSHIS-PWSUYJOCSA-N 0 0 248.326 2.464 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(F)n1 ZINC000134221892 167377356 /nfs/dbraw/zinc/37/73/56/167377356.db2.gz URLIVIMPSWDMMZ-MRVPVSSYSA-N 0 0 225.267 2.387 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccnc(F)c1F ZINC000164092506 167379989 /nfs/dbraw/zinc/37/99/89/167379989.db2.gz IILONENDBQMXNX-SSDOTTSWSA-N 0 0 228.242 2.134 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cccc2c[nH]nc21 ZINC000044225121 167380734 /nfs/dbraw/zinc/38/07/34/167380734.db2.gz VHOFLSOFSRHFQD-SECBINFHSA-N 0 0 231.299 2.337 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000083476797 167385421 /nfs/dbraw/zinc/38/54/21/167385421.db2.gz LJRKLGFZQSLZMD-SNVBAGLBSA-N 0 0 235.331 2.240 10 0 BEAERN CC(C)[C@@H](C)Nc1cc(C(N)=S)ccn1 ZINC000020523602 167386116 /nfs/dbraw/zinc/38/61/16/167386116.db2.gz PYYYAIJBDRBYRT-MRVPVSSYSA-N 0 0 223.345 2.172 10 0 BEAERN CC[NH+](CC)[C@@H](C(=O)[O-])c1ccccc1OC ZINC000016844149 169795020 /nfs/dbraw/zinc/79/50/20/169795020.db2.gz RMAIAJLKIFFCBA-GFCCVEGCSA-N 0 0 237.299 2.163 10 0 BEAERN CC(C)[C@H]1OCC[C@H]1CNc1ncc(F)cn1 ZINC000269463322 167517979 /nfs/dbraw/zinc/51/79/79/167517979.db2.gz HPCLTKSWUWRNBV-GXSJLCMTSA-N 0 0 239.294 2.089 10 0 BEAERN CC(C)c1ccc(N2C[C@@H](CO)CC2=O)cc1 ZINC000011893514 167603331 /nfs/dbraw/zinc/60/33/31/167603331.db2.gz HYDBVOZAWMQMSG-NSHDSACASA-N 0 0 233.311 2.155 10 0 BEAERN CC(C)c1ccc(OCC(=O)N2CCCO2)cc1 ZINC000125383258 167609172 /nfs/dbraw/zinc/60/91/72/167609172.db2.gz ABRMUVDOCANZAQ-UHFFFAOYSA-N 0 0 249.310 2.353 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1F ZINC000044623561 411138812 /nfs/dbraw/zinc/13/88/12/411138812.db2.gz FHEKMFKEWKFCQO-SNVBAGLBSA-N 0 0 243.253 2.260 10 0 BEAERN CC(C)c1csc(NC(=O)[C@@H]2CCCO2)n1 ZINC000025404980 167652966 /nfs/dbraw/zinc/65/29/66/167652966.db2.gz UWCXREPVOLUJCK-VIFPVBQESA-N 0 0 240.328 2.384 10 0 BEAERN COc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1 ZINC000109106070 411148958 /nfs/dbraw/zinc/14/89/58/411148958.db2.gz YVSFLXVDJKBDAU-LLVKDONJSA-N 0 0 230.267 2.198 10 0 BEAERN C=CC(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C ZINC000046010417 411173591 /nfs/dbraw/zinc/17/35/91/411173591.db2.gz HKUJXCUUHHZJKT-UHFFFAOYSA-N 0 0 246.266 2.300 10 0 BEAERN CCN(CC)c1c(F)cc(N)cc1F ZINC000038039789 169803115 /nfs/dbraw/zinc/80/31/15/169803115.db2.gz UZYLGKPKQKMIGS-UHFFFAOYSA-N 0 0 200.232 2.393 10 0 BEAERN CNc1nc([C@@H]2SCCS[C@H]2C)no1 ZINC000228182549 411183167 /nfs/dbraw/zinc/18/31/67/411183167.db2.gz LZUPRFKGYISCHX-NTSWFWBYSA-N 0 0 231.346 2.021 10 0 BEAERN CCCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117562676 411185328 /nfs/dbraw/zinc/18/53/28/411185328.db2.gz HEFFHXHBKSLCTN-ZWNOBZJWSA-N 0 0 233.311 2.467 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000246386982 411205717 /nfs/dbraw/zinc/20/57/17/411205717.db2.gz UXULUHZVLWLCGD-HBEIAFGSSA-N 0 0 245.322 2.323 10 0 BEAERN COCC[C@@H](C)NC(=O)N[C@H](C)C(C)(C)C ZINC000112449694 411208179 /nfs/dbraw/zinc/20/81/79/411208179.db2.gz MAHHHQFOEQKHNZ-NXEZZACHSA-N 0 0 230.352 2.145 10 0 BEAERN CC(C)n1cnnc1-c1sccc1N ZINC000054498208 167782694 /nfs/dbraw/zinc/78/26/94/167782694.db2.gz CMPZUGBBRLOVQW-UHFFFAOYSA-N 0 0 208.290 2.170 10 0 BEAERN CCc1cc(NC(=O)c2ccc(F)cc2)n[nH]1 ZINC000049138823 411225939 /nfs/dbraw/zinc/22/59/39/411225939.db2.gz QQWGKBYGLYCLIL-UHFFFAOYSA-N 0 0 233.246 2.364 10 0 BEAERN CCc1cc(NC(=O)Cc2cccc(F)c2)n[nH]1 ZINC000049138711 411226442 /nfs/dbraw/zinc/22/64/42/411226442.db2.gz FDZIVSTXTUNVND-UHFFFAOYSA-N 0 0 247.273 2.292 10 0 BEAERN CCc1cc(NC(=O)c2ccoc2C)n[nH]1 ZINC000049139088 411226491 /nfs/dbraw/zinc/22/64/91/411226491.db2.gz NCNUAMBYAAKYQD-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN Cc1cccc(CNC(=O)N2CCCC[C@@H]2C)n1 ZINC000049339977 411231212 /nfs/dbraw/zinc/23/12/12/411231212.db2.gz UWFHUQOKJUPNST-LBPRGKRZSA-N 0 0 247.342 2.474 10 0 BEAERN CCN(CC)c1nc2sccn2c1C=O ZINC000022159233 169805954 /nfs/dbraw/zinc/80/59/54/169805954.db2.gz PRUJOWOHNPMFFD-UHFFFAOYSA-N 0 0 223.301 2.055 10 0 BEAERN CCN(CC)c1[nH+]c(C)cc(C)c1C(=O)[O-] ZINC000037978179 169806145 /nfs/dbraw/zinc/80/61/45/169806145.db2.gz QRTAJMSQCSUVEB-UHFFFAOYSA-N 0 0 222.288 2.243 10 0 BEAERN C(Nc1nc2c(s1)NCCC2)C1CC1 ZINC000536959759 411265765 /nfs/dbraw/zinc/26/57/65/411265765.db2.gz UIZHPZWCTKDIFY-UHFFFAOYSA-N 0 0 209.318 2.323 10 0 BEAERN Cc1[nH]c2ccc(N(C)C)cc2c1C=O ZINC000238331122 411294966 /nfs/dbraw/zinc/29/49/66/411294966.db2.gz LIRXOLVADCFLCR-UHFFFAOYSA-N 0 0 202.257 2.355 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402751789 411312569 /nfs/dbraw/zinc/31/25/69/411312569.db2.gz COOIRMPABGWSGL-ITGHMWBKSA-N 0 0 249.354 2.008 10 0 BEAERN C[C@@H]1CC[C@H](C)N(Cc2csnn2)C1 ZINC000127781756 411252570 /nfs/dbraw/zinc/25/25/70/411252570.db2.gz XKZIGYIRYRCFRP-BDAKNGLRSA-N 0 0 211.334 2.159 10 0 BEAERN CC1(C)[C@H]2CC[C@]1(C)c1nc(N)ncc12 ZINC000026481065 168010805 /nfs/dbraw/zinc/01/08/05/168010805.db2.gz IIMAOEUSHZPPIU-QPUJVOFHSA-N 0 0 203.289 2.234 10 0 BEAERN CC1(CNC(=O)[C@H]2CCCc3n[nH]cc32)CCC1 ZINC000134475323 168036834 /nfs/dbraw/zinc/03/68/34/168036834.db2.gz VHQNQADHZHKOHM-JTQLQIEISA-N 0 0 247.342 2.136 10 0 BEAERN CC1=CC(=O)N[C@H](Cc2ccccc2)S1 ZINC000196406580 168092027 /nfs/dbraw/zinc/09/20/27/168092027.db2.gz ITNLCTBUDUYMLB-LBPRGKRZSA-N 0 0 219.309 2.322 10 0 BEAERN CC1=CC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000026441873 168092669 /nfs/dbraw/zinc/09/26/69/168092669.db2.gz JERUAGAHWNBTFV-UHFFFAOYSA-N 0 0 215.252 2.123 10 0 BEAERN CC1=CC[C@@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000206579211 168120328 /nfs/dbraw/zinc/12/03/28/168120328.db2.gz NZRUDSFCUBXEEP-QWRGUYRKSA-N 0 0 214.330 2.168 10 0 BEAERN CC1=N/C(=C/c2cccc(C)c2)C(=O)O1 ZINC000002969330 168132811 /nfs/dbraw/zinc/13/28/11/168132811.db2.gz OHFJJNFSSSCWTL-YRNVUSSQSA-N 0 0 201.225 2.311 10 0 BEAERN CC1CCC(NC(=O)c2ncccc2O)CC1 ZINC000037760546 168163443 /nfs/dbraw/zinc/16/34/43/168163443.db2.gz MFRCETVAKJAUOU-UHFFFAOYSA-N 0 0 234.299 2.096 10 0 BEAERN CC1CCC(OC(=O)[C@H]2CCCCN2)CC1 ZINC000048633047 168167334 /nfs/dbraw/zinc/16/73/34/168167334.db2.gz OXSBVLDFGQFMBS-HTAVTVPLSA-N 0 0 225.332 2.250 10 0 BEAERN CCC(=O)N(C)Cc1cc(N)ccc1Cl ZINC000037408919 168210979 /nfs/dbraw/zinc/21/09/79/168210979.db2.gz FTECUGWOMSNQLQ-UHFFFAOYSA-N 0 0 226.707 2.291 10 0 BEAERN CCC(=O)N(CCC(N)=S)c1ccccc1 ZINC000019436764 168213404 /nfs/dbraw/zinc/21/34/04/168213404.db2.gz GWCOSSRYYFRQGX-UHFFFAOYSA-N 0 0 236.340 2.106 10 0 BEAERN CCC(=O)NCC[C@@H]1CCc2ccc(O)cc21 ZINC000013491257 168229449 /nfs/dbraw/zinc/22/94/49/168229449.db2.gz VSEXOFSASGWWMH-NSHDSACASA-N 0 0 233.311 2.338 10 0 BEAERN CCC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000044821730 168246088 /nfs/dbraw/zinc/24/60/88/168246088.db2.gz YNSJJUNLCUEAKB-UHFFFAOYSA-N 0 0 220.272 2.018 10 0 BEAERN CCC(=O)[C@@H](C)c1nc(-c2ccncc2)no1 ZINC000104165203 168252963 /nfs/dbraw/zinc/25/29/63/168252963.db2.gz PPHYVFRTIUNICS-MRVPVSSYSA-N 0 0 231.255 2.214 10 0 BEAERN CCC(C)(C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000005501125 168262871 /nfs/dbraw/zinc/26/28/71/168262871.db2.gz HIYBBBIXMTUMBP-NXEZZACHSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(C)(C)Nc1cc(C(N)=S)ccn1 ZINC000019519371 168302611 /nfs/dbraw/zinc/30/26/11/168302611.db2.gz VVWCAILZVCUHQF-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN CCC(C)(C)Oc1cc2c(cc1N)CC(=O)N2 ZINC000035345765 168303701 /nfs/dbraw/zinc/30/37/01/168303701.db2.gz WRYIBIGIWGPNTQ-UHFFFAOYSA-N 0 0 234.299 2.331 10 0 BEAERN CCC(C)(CC)NC(=O)CCc1ccnn1C ZINC000124345078 168306945 /nfs/dbraw/zinc/30/69/45/168306945.db2.gz IECSXJZWRFSJFA-UHFFFAOYSA-N 0 0 237.347 2.048 10 0 BEAERN CCC(C)(CC)NC(=O)Cn1nc(C)cc1C ZINC000112828353 168308388 /nfs/dbraw/zinc/30/83/88/168308388.db2.gz OOAXLCQYJDLFKR-UHFFFAOYSA-N 0 0 237.347 2.195 10 0 BEAERN COC(=O)[C@@H]1c2ccccc2CCN1C(C)C ZINC000616678134 411414066 /nfs/dbraw/zinc/41/40/66/411414066.db2.gz DDOQAPXFYOUBEC-ZDUSSCGKSA-N 0 0 233.311 2.167 10 0 BEAERN CN1C[C@H](c2cncnc2)Nc2ccccc21 ZINC000616683651 411414979 /nfs/dbraw/zinc/41/49/79/411414979.db2.gz SRFXUJPNIWLKNZ-GFCCVEGCSA-N 0 0 226.283 2.080 10 0 BEAERN C[N@@H+](Cc1ncccc1C(=O)[O-])CC1CCCC1 ZINC000305952285 411428254 /nfs/dbraw/zinc/42/82/54/411428254.db2.gz NFENZORUQFVNBQ-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN CC[C@@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000305933269 411428494 /nfs/dbraw/zinc/42/84/94/411428494.db2.gz KGAVQKOKVPFFPX-LLVKDONJSA-N 0 0 248.326 2.402 10 0 BEAERN CCN(Cc1ccccc1)C(=O)CSC ZINC000046082059 169914358 /nfs/dbraw/zinc/91/43/58/169914358.db2.gz YPQLBUGTGHDNND-UHFFFAOYSA-N 0 0 223.341 2.398 10 0 BEAERN Cc1c[nH]c(CN[C@H](C)c2csc(C)n2)n1 ZINC000657353118 411474089 /nfs/dbraw/zinc/47/40/89/411474089.db2.gz GAHNCHANZBMKHO-MRVPVSSYSA-N 0 0 236.344 2.334 10 0 BEAERN c1ccc([C@H]2C[C@H]2Nc2ncccn2)cc1 ZINC000044416458 411497612 /nfs/dbraw/zinc/49/76/12/411497612.db2.gz PNEWLOSVTBWFAV-VXGBXAGGSA-N 0 0 211.268 2.445 10 0 BEAERN CCN1C[C@@H](C)C(=O)N(c2ccccc2)C1=O ZINC000061221202 170027523 /nfs/dbraw/zinc/02/75/23/170027523.db2.gz OATNVWONVSTOGS-SNVBAGLBSA-N 0 0 232.283 2.111 10 0 BEAERN CCN1c2ncccc2NC(=O)c2cccnc21 ZINC000005842172 170041369 /nfs/dbraw/zinc/04/13/69/170041369.db2.gz XWNWRXNJXBUCDH-UHFFFAOYSA-N 0 0 240.266 2.200 10 0 BEAERN CCNC(=O)CCOc1c(C)cc(C=O)cc1C ZINC000051759721 170053309 /nfs/dbraw/zinc/05/33/09/170053309.db2.gz AKCWRKKXLMONPO-UHFFFAOYSA-N 0 0 249.310 2.021 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(F)c(C)c1 ZINC000061097011 170088938 /nfs/dbraw/zinc/08/89/38/170088938.db2.gz VXNONRBUBWEZEZ-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C(C)=O ZINC000035205761 170089941 /nfs/dbraw/zinc/08/99/41/170089941.db2.gz FNRGRYAFQWEVQP-LLVKDONJSA-N 0 0 249.310 2.101 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1nccc2sccc21 ZINC000049217477 170089990 /nfs/dbraw/zinc/08/99/90/170089990.db2.gz GJTOMPAPRHLGKA-MRVPVSSYSA-N 0 0 249.339 2.233 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(F)cc1Cl ZINC000020308647 170096603 /nfs/dbraw/zinc/09/66/03/170096603.db2.gz XSNYWGLCPYRELP-ZETCQYMHSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@H](C)Sc1ccc(N)cc1F ZINC000037194444 170096914 /nfs/dbraw/zinc/09/69/14/170096914.db2.gz LDMGAFLRTLBDQC-ZETCQYMHSA-N 0 0 242.319 2.025 10 0 BEAERN CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109079855 170099452 /nfs/dbraw/zinc/09/94/52/170099452.db2.gz IBXQXQKPDSUISM-BDAKNGLRSA-N 0 0 225.238 2.204 10 0 BEAERN CCNC(=O)c1cccc(-c2ncccc2O)c1 ZINC000065339477 170103750 /nfs/dbraw/zinc/10/37/50/170103750.db2.gz RAYUKYRJXGKJMG-UHFFFAOYSA-N 0 0 242.278 2.204 10 0 BEAERN CCNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000049087893 170104136 /nfs/dbraw/zinc/10/41/36/170104136.db2.gz ZOLKFILJVYWXAH-UHFFFAOYSA-N 0 0 249.701 2.275 10 0 BEAERN CCNCc1nnc(CCc2ccc(C)cc2)o1 ZINC000052946209 170131803 /nfs/dbraw/zinc/13/18/03/170131803.db2.gz MJUUUQDPJABKDJ-UHFFFAOYSA-N 0 0 245.326 2.273 10 0 BEAERN CCN[C@@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000037869694 170138377 /nfs/dbraw/zinc/13/83/77/170138377.db2.gz PJKKPXUDUHIVHV-SECBINFHSA-N 0 0 247.125 2.129 10 0 BEAERN CCN[C@@H](c1ccc(OC)cc1)c1ncccn1 ZINC000037536338 170147452 /nfs/dbraw/zinc/14/74/52/170147452.db2.gz DQFCKKXCHGZTAQ-ZDUSSCGKSA-N 0 0 243.310 2.184 10 0 BEAERN CC[NH2+][C@@H]1c2ccc(F)c(F)c2O[C@@H]1C ZINC000062611522 170154700 /nfs/dbraw/zinc/15/47/00/170154700.db2.gz MOWNCBLLAQETIN-LDWIPMOCSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1ccccc1Cl ZINC000037181934 170155901 /nfs/dbraw/zinc/15/59/01/170155901.db2.gz YRGUDAYXEJOJQV-VIFPVBQESA-N 0 0 213.664 2.075 10 0 BEAERN CCN[C@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000037869579 170156416 /nfs/dbraw/zinc/15/64/16/170156416.db2.gz WTWWZHFQDQHBIF-VIFPVBQESA-N 0 0 247.125 2.129 10 0 BEAERN CCN[C@H](c1ccc(OC)cc1)c1ncccn1 ZINC000037536339 170164103 /nfs/dbraw/zinc/16/41/03/170164103.db2.gz DQFCKKXCHGZTAQ-CYBMUJFWSA-N 0 0 243.310 2.184 10 0 BEAERN CC[NH2+][C@H]1c2cccc(OC)c2O[C@@H]1C ZINC000043633335 170169971 /nfs/dbraw/zinc/16/99/71/170169971.db2.gz ILSHZDCFJHPWAH-LDYMZIIASA-N 0 0 207.273 2.127 10 0 BEAERN CC[NH2+][C@](C)(C(=O)[O-])c1ccccc1Cl ZINC000037181445 170170125 /nfs/dbraw/zinc/17/01/25/170170125.db2.gz YDHZQBMCKUUTBK-NSHDSACASA-N 0 0 227.691 2.249 10 0 BEAERN CC[NH2+][C@](C)(C(=O)[O-])c1ccc(C)cc1C ZINC000037181357 170170429 /nfs/dbraw/zinc/17/04/29/170170429.db2.gz SKZCRGLQOGKNQA-ZDUSSCGKSA-N 0 0 221.300 2.213 10 0 BEAERN CCN[C@](C)(C(=O)OCC)c1ccc(C)cc1 ZINC000037447188 170170617 /nfs/dbraw/zinc/17/06/17/170170617.db2.gz CCZMLCXILMPGRR-AWEZNQCLSA-N 0 0 235.327 2.383 10 0 BEAERN CCN[C@]1(C(=O)OCC)CCc2ccccc2C1 ZINC000037515814 170170746 /nfs/dbraw/zinc/17/07/46/170170746.db2.gz UBFHNYRZPXBIKP-OAHLLOKOSA-N 0 0 247.338 2.087 10 0 BEAERN CCN[C@](CC)(C(=O)OC)c1ccc(C)cc1 ZINC000037446699 170170792 /nfs/dbraw/zinc/17/07/92/170170792.db2.gz JODIGRCYGHWOEC-AWEZNQCLSA-N 0 0 235.327 2.383 10 0 BEAERN CCNc1cc(C(=O)N(C)CC)cc(Cl)n1 ZINC000050747237 170171333 /nfs/dbraw/zinc/17/13/33/170171333.db2.gz SKNOTQAQXIHNMY-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN CCNc1ccc(-c2nnc(N)s2)cc1 ZINC000211636409 170172818 /nfs/dbraw/zinc/17/28/18/170172818.db2.gz FXQLYYKELSJPKL-UHFFFAOYSA-N 0 0 220.301 2.219 10 0 BEAERN CCNc1ccc(-n2ccnc2C)nc1 ZINC000037152035 170173035 /nfs/dbraw/zinc/17/30/35/170173035.db2.gz OKSHIRSNBMNDBW-UHFFFAOYSA-N 0 0 202.261 2.008 10 0 BEAERN CCNc1ccc(C(=O)Nc2ncccn2)cc1 ZINC000050722179 170173407 /nfs/dbraw/zinc/17/34/07/170173407.db2.gz WWOONKPNPFHQNG-UHFFFAOYSA-N 0 0 242.282 2.161 10 0 BEAERN CCNc1ccc2c(c1)NC(=O)CS2 ZINC000035037899 170174133 /nfs/dbraw/zinc/17/41/33/170174133.db2.gz KEJHJQRSFPUJDW-UHFFFAOYSA-N 0 0 208.286 2.163 10 0 BEAERN CCNc1nc(C2CCOCC2)nc2c1CCC2 ZINC000052177367 170175945 /nfs/dbraw/zinc/17/59/45/170175945.db2.gz OKLHGHVEZIGSBY-UHFFFAOYSA-N 0 0 247.342 2.291 10 0 BEAERN CCNc1nc([C@H]2CCOC2)nc2c1CCCC2 ZINC000051691648 170176785 /nfs/dbraw/zinc/17/67/85/170176785.db2.gz OHNPUANMFDEFKF-JTQLQIEISA-N 0 0 247.342 2.291 10 0 BEAERN CCNc1snnc1CN1CCC[C@@H](C)C1 ZINC000050792460 170179097 /nfs/dbraw/zinc/17/90/97/170179097.db2.gz OFPVDRCSNBXJNA-SECBINFHSA-N 0 0 240.376 2.202 10 0 BEAERN CCOC(=N)[C@@H](O)c1cc(F)ccc1C ZINC000141092715 170179927 /nfs/dbraw/zinc/17/99/27/170179927.db2.gz QFHYFFLSAZPIGT-JTQLQIEISA-N 0 0 211.236 2.181 10 0 BEAERN CCOC(=N)[C@@H](O)c1cc(C)ccc1C ZINC000039135026 170180039 /nfs/dbraw/zinc/18/00/39/170180039.db2.gz DKIDUDOQODXIEF-NSHDSACASA-N 0 0 207.273 2.351 10 0 BEAERN CCOC(=N)c1ccc(OC)c(OC)c1OC ZINC000037928141 170180295 /nfs/dbraw/zinc/18/02/95/170180295.db2.gz OGNWNIGUSMGULG-UHFFFAOYSA-N 0 0 239.271 2.074 10 0 BEAERN CCOC(=O)/C(CC)=C(\CC)C(=O)OCC ZINC000038615007 170182379 /nfs/dbraw/zinc/18/23/79/170182379.db2.gz QLOWJACUTHAHSK-MDZDMXLPSA-N 0 0 228.288 2.229 10 0 BEAERN CCOC(=O)C(C)(C)NC/C(Cl)=C/Cl ZINC000128214900 170187364 /nfs/dbraw/zinc/18/73/64/170187364.db2.gz BBASQWFTRNWAAR-ALCCZGGFSA-N 0 0 240.130 2.237 10 0 BEAERN CCOC(=O)C(C)(C)Nc1ccc(OC)cc1 ZINC000037953048 170188084 /nfs/dbraw/zinc/18/80/84/170188084.db2.gz SRYJPFRDEFQAQU-UHFFFAOYSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)C(C)(C)Oc1ccc2c(c1)NCC2 ZINC000089209845 170188265 /nfs/dbraw/zinc/18/82/65/170188265.db2.gz SLWIZEYLXMWGPC-UHFFFAOYSA-N 0 0 249.310 2.375 10 0 BEAERN CCOC(=O)CCCNc1nc2ccccc2[nH]1 ZINC000081546288 170202437 /nfs/dbraw/zinc/20/24/37/170202437.db2.gz MWPUKAIDWFBTJC-UHFFFAOYSA-N 0 0 247.298 2.318 10 0 BEAERN CCOC(=O)CCNc1nc(C)c(C)s1 ZINC000071716518 170209921 /nfs/dbraw/zinc/20/99/21/170209921.db2.gz ZUYWBXRYCNYILC-UHFFFAOYSA-N 0 0 228.317 2.125 10 0 BEAERN CCOC(=O)CNCc1ccc(Cl)c(F)c1 ZINC000043389739 170225604 /nfs/dbraw/zinc/22/56/04/170225604.db2.gz IYVVFKCKQZOJDW-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)C[C@](C)(O)c1ccc(C)cc1 ZINC000052248538 170234500 /nfs/dbraw/zinc/23/45/00/170234500.db2.gz PCSRSHHGCMNTBJ-ZDUSSCGKSA-N 0 0 222.284 2.156 10 0 BEAERN CCOC(=O)C[C@H]1OCCc2ccsc21 ZINC000095936075 170234591 /nfs/dbraw/zinc/23/45/91/170234591.db2.gz OMQRXSKUIDQBTM-SECBINFHSA-N 0 0 226.297 2.315 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C)c(C)n1 ZINC000095768213 170235261 /nfs/dbraw/zinc/23/52/61/170235261.db2.gz MTSBOIPKCNWUHC-UHFFFAOYSA-N 0 0 207.273 2.112 10 0 BEAERN CCOC(=O)Cc1csc(NCC(C)C)n1 ZINC000083370688 170235903 /nfs/dbraw/zinc/23/59/03/170235903.db2.gz KJTFRDSLFOTQHZ-UHFFFAOYSA-N 0 0 242.344 2.317 10 0 BEAERN CCOC(=O)N1C(=O)Cc2cc(Cl)ccc21 ZINC000140928038 170238332 /nfs/dbraw/zinc/23/83/32/170238332.db2.gz CISWMYIMMKQBSJ-UHFFFAOYSA-N 0 0 239.658 2.386 10 0 BEAERN CCOC(=O)NCCOc1cc(C)cc(C)c1 ZINC000005598258 170241884 /nfs/dbraw/zinc/24/18/84/170241884.db2.gz WWECEWALLTVJHE-UHFFFAOYSA-N 0 0 237.299 2.428 10 0 BEAERN CCOC(=O)Nc1ccc(CC)c(N)c1 ZINC000036744470 170243772 /nfs/dbraw/zinc/24/37/72/170243772.db2.gz MLSUFGSQDGJGQI-UHFFFAOYSA-N 0 0 208.261 2.400 10 0 BEAERN CCOC(=O)Nc1cccc(C(=O)OC)c1 ZINC000005952873 170243786 /nfs/dbraw/zinc/24/37/86/170243786.db2.gz OMMKHOWXJZEPHH-UHFFFAOYSA-N 0 0 223.228 2.042 10 0 BEAERN CCOC(=O)Nc1nc(Cl)cc(Cl)n1 ZINC000033618148 170243928 /nfs/dbraw/zinc/24/39/28/170243928.db2.gz HKGYYHJTIVVSIC-UHFFFAOYSA-N 0 0 236.058 2.352 10 0 BEAERN CCOC(=O)Nc1cc(OC)ccc1OC ZINC000005952866 170244181 /nfs/dbraw/zinc/24/41/81/170244181.db2.gz OJMJZMNKSJTKDC-UHFFFAOYSA-N 0 0 225.244 2.272 10 0 BEAERN CCOC(=O)[C@@H](CC)Nc1ccccc1OC ZINC000037961690 170251255 /nfs/dbraw/zinc/25/12/55/170251255.db2.gz JIFHYOIUAJXXHL-SNVBAGLBSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)[C@@H](N)c1c(F)cccc1Cl ZINC000033734783 170253977 /nfs/dbraw/zinc/25/39/77/170253977.db2.gz UODQUDLEPFWQSA-VIFPVBQESA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)[C@@H](N)c1ccccc1C(F)(F)F ZINC000033769441 170254523 /nfs/dbraw/zinc/25/45/23/170254523.db2.gz JYGLQSDPYOSSFT-VIFPVBQESA-N 0 0 247.216 2.268 10 0 BEAERN CCOC(=O)[C@@H](N)c1ccc2ccccc2c1 ZINC000034856993 170254720 /nfs/dbraw/zinc/25/47/20/170254720.db2.gz UTEANATWINVRDV-ZDUSSCGKSA-N 0 0 229.279 2.403 10 0 BEAERN CCOC(=O)[C@@H](NCC1CC1)[C@H]1CC=CCC1 ZINC000037968316 170255210 /nfs/dbraw/zinc/25/52/10/170255210.db2.gz DDWQOXRUNRCJID-STQMWFEESA-N 0 0 237.343 2.274 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)c2ccc(F)cc21 ZINC000038221809 170257469 /nfs/dbraw/zinc/25/74/69/170257469.db2.gz ZWPOQZRUABVBAA-SNVBAGLBSA-N 0 0 236.242 2.449 10 0 BEAERN COc1cc(CN[C@H](C)c2ccc(C)o2)on1 ZINC000660257506 411560593 /nfs/dbraw/zinc/56/05/93/411560593.db2.gz SFEXFQVYUVLFIX-SECBINFHSA-N 0 0 236.271 2.435 10 0 BEAERN CCOC(=O)C1=C(O)CC2(CCCCC2)S1 ZINC000095835921 170260567 /nfs/dbraw/zinc/26/05/67/170260567.db2.gz HRTHZTZMEIXVQL-SNVBAGLBSA-N 0 0 242.340 2.327 10 0 BEAERN CCOC(=O)[C@@H]1c2ccccc2N[C@H]1C ZINC000001436111 170260682 /nfs/dbraw/zinc/26/06/82/170260682.db2.gz WNRHFBOGHGIVPX-KWQFWETISA-N 0 0 205.257 2.147 10 0 BEAERN CCOC(=O)[C@@]1(C)CCc2ccc(O)cc2O1 ZINC000038351424 170262359 /nfs/dbraw/zinc/26/23/59/170262359.db2.gz ZQUVGOXTQFGONJ-CYBMUJFWSA-N 0 0 236.267 2.039 10 0 BEAERN CCOC(=O)[C@H](CC)NCc1ccccc1 ZINC000037952734 170271686 /nfs/dbraw/zinc/27/16/86/170271686.db2.gz IZWBJQAUJRUHLC-LBPRGKRZSA-N 0 0 221.300 2.118 10 0 BEAERN CCOC(=O)[C@H](Nc1ccccc1)[C@@H]1CCOC1 ZINC000037954277 170277379 /nfs/dbraw/zinc/27/73/79/170277379.db2.gz YFPFDNUHRDJBPM-DGCLKSJQSA-N 0 0 249.310 2.067 10 0 BEAERN CCOC(=O)[C@H](NC1CC1)c1cccc(C)c1 ZINC000037514429 170277621 /nfs/dbraw/zinc/27/76/21/170277621.db2.gz NPJAWOQMGXNGAA-CYBMUJFWSA-N 0 0 233.311 2.351 10 0 BEAERN CCOC(=O)[C@H](c1ccc(O)cc1)n1cccc1 ZINC000040176407 170279201 /nfs/dbraw/zinc/27/92/01/170279201.db2.gz DSCFUSUMZORFJX-ZDUSSCGKSA-N 0 0 245.278 2.346 10 0 BEAERN CCOC(=O)[C@](C)(N)c1cc(C)ccc1C ZINC000037459865 170284059 /nfs/dbraw/zinc/28/40/59/170284059.db2.gz YTUAQSQGRZPKTN-CYBMUJFWSA-N 0 0 221.300 2.040 10 0 BEAERN CCOC(=O)c1c(C)c(C)c(O)c(C)c1O ZINC000015117999 170287543 /nfs/dbraw/zinc/28/75/43/170287543.db2.gz NHKFCDQZJNYGKZ-UHFFFAOYSA-N 0 0 224.256 2.200 10 0 BEAERN CCOC(=O)c1c(F)cc2ccccn21 ZINC000090464045 170288367 /nfs/dbraw/zinc/28/83/67/170288367.db2.gz AKXOEMIPGIWNGV-UHFFFAOYSA-N 0 0 207.204 2.255 10 0 BEAERN CCOC(=O)c1c(Cl)c(CC(C)C)nn1C ZINC000014985177 170288533 /nfs/dbraw/zinc/28/85/33/170288533.db2.gz GUECSZIEWZBYPF-UHFFFAOYSA-N 0 0 244.722 2.449 10 0 BEAERN CCOC(=O)c1cc2ccc(N(C)C)cc2[nH]1 ZINC000035364682 170293635 /nfs/dbraw/zinc/29/36/35/170293635.db2.gz FVPJKRPPOSSAER-UHFFFAOYSA-N 0 0 232.283 2.411 10 0 BEAERN CCOC(=O)c1cc2cccc(O)c2o1 ZINC000095626844 170293849 /nfs/dbraw/zinc/29/38/49/170293849.db2.gz AVIQFGDAAZNKLT-UHFFFAOYSA-N 0 0 206.197 2.315 10 0 BEAERN CCOC(=O)c1ccc(F)nc1Br ZINC000047203030 170295980 /nfs/dbraw/zinc/29/59/80/170295980.db2.gz PUGGVYALEWPRQZ-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000021304786 170296223 /nfs/dbraw/zinc/29/62/23/170296223.db2.gz VWPNIUJAKBOMJD-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN CCOC(=O)c1ccc(O[C@@H](C)[C@@H](C)O)cc1 ZINC000094652523 170297362 /nfs/dbraw/zinc/29/73/62/170297362.db2.gz FYLKRSXZFQCTDS-ZJUUUORDSA-N 0 0 238.283 2.011 10 0 BEAERN CCOC(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC000072319797 170297891 /nfs/dbraw/zinc/29/78/91/170297891.db2.gz XMCFLTQKFKSXLX-UHFFFAOYSA-N 0 0 217.224 2.157 10 0 BEAERN CCOC(=O)c1ccccc1-c1cnc(N)o1 ZINC000299889780 170299093 /nfs/dbraw/zinc/29/90/93/170299093.db2.gz OOVUPIBZRDQQCN-UHFFFAOYSA-N 0 0 232.239 2.101 10 0 BEAERN CCOC(=O)c1cccc2nc(C)n(C)c21 ZINC000075972651 170299596 /nfs/dbraw/zinc/29/95/96/170299596.db2.gz BWBKAZFWYAQVSI-UHFFFAOYSA-N 0 0 218.256 2.058 10 0 BEAERN CCOC(=O)c1c[nH]nc1C1CCCC1 ZINC000031776830 170300747 /nfs/dbraw/zinc/30/07/47/170300747.db2.gz NQXBWMRKIVZLBH-UHFFFAOYSA-N 0 0 208.261 2.244 10 0 BEAERN CCOC(=O)c1c[nH]nc1CC1CCCC1 ZINC000071980880 170300967 /nfs/dbraw/zinc/30/09/67/170300967.db2.gz NYHNUCFTQKQCMQ-UHFFFAOYSA-N 0 0 222.288 2.319 10 0 BEAERN CCOC(=O)c1cn2cccc(CC)c2n1 ZINC000089201752 170301120 /nfs/dbraw/zinc/30/11/20/170301120.db2.gz ZNYQUGNLLKDIKP-UHFFFAOYSA-N 0 0 218.256 2.073 10 0 BEAERN CCOC(=O)c1cnc(C2CCCCC2)nc1N ZINC000058039679 170301652 /nfs/dbraw/zinc/30/16/52/170301652.db2.gz ZCUMNDHAKNLKCF-UHFFFAOYSA-N 0 0 249.314 2.283 10 0 BEAERN CCOC(=O)c1cnc(C2CCOCC2)s1 ZINC000299890201 170301699 /nfs/dbraw/zinc/30/16/99/170301699.db2.gz VTAMMCKMOVNFJW-UHFFFAOYSA-N 0 0 241.312 2.214 10 0 BEAERN CCOC(=O)c1cnc2c(C)c(F)ccc2c1N ZINC000050843360 170302274 /nfs/dbraw/zinc/30/22/74/170302274.db2.gz GIJMBQUGFQZHDZ-UHFFFAOYSA-N 0 0 248.257 2.441 10 0 BEAERN CCOC(=O)C1C=NN(c2cccc(C)c2)C1=O ZINC000038591453 170303168 /nfs/dbraw/zinc/30/31/68/170303168.db2.gz UFRKHRTYACWGOX-UHFFFAOYSA-N 0 0 246.266 2.063 10 0 BEAERN CCOC(=O)c1cnn2ccc(Cl)cc12 ZINC000095748877 170304361 /nfs/dbraw/zinc/30/43/61/170304361.db2.gz IPMVZZWMNLSJDT-UHFFFAOYSA-N 0 0 224.647 2.164 10 0 BEAERN CCOC(=O)c1coc(C(C)(C)C)cc1=O ZINC000082048756 170305017 /nfs/dbraw/zinc/30/50/17/170305017.db2.gz MCVPTHYFVGKZET-UHFFFAOYSA-N 0 0 224.256 2.114 10 0 BEAERN CCOC(=O)c1nc(F)ccc1Cl ZINC000047203102 170306780 /nfs/dbraw/zinc/30/67/80/170306780.db2.gz URAWXTWKZLBTIT-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1nc(Cl)oc1Cl ZINC000040442547 170307058 /nfs/dbraw/zinc/30/70/58/170307058.db2.gz YFGXKABIQXYUOB-UHFFFAOYSA-N 0 0 210.016 2.158 10 0 BEAERN CCOC(=O)c1nc(Cc2cccc(C)c2)no1 ZINC000103966043 170307110 /nfs/dbraw/zinc/30/71/10/170307110.db2.gz BFBHIIFKMBYHGY-UHFFFAOYSA-N 0 0 246.266 2.146 10 0 BEAERN CCOC(=O)c1ncsc1-c1ccccn1 ZINC000083239038 170308847 /nfs/dbraw/zinc/30/88/47/170308847.db2.gz GVKVXIQPFAGBGJ-UHFFFAOYSA-N 0 0 234.280 2.382 10 0 BEAERN CCOC(=O)c1oc2ncccc2c1C ZINC000261506922 170310487 /nfs/dbraw/zinc/31/04/87/170310487.db2.gz CLTZMASYQJXYBR-UHFFFAOYSA-N 0 0 205.213 2.313 10 0 BEAERN CCOC(C)(OCC)c1nccs1 ZINC000117851079 170314562 /nfs/dbraw/zinc/31/45/62/170314562.db2.gz KNUHFOWGNFQDOS-UHFFFAOYSA-N 0 0 201.291 2.389 10 0 BEAERN CCOC(Cc1nsc(Cl)n1)OCC ZINC000047218941 170316115 /nfs/dbraw/zinc/31/61/15/170316115.db2.gz PKHJILWKVOXGQI-UHFFFAOYSA-N 0 0 236.724 2.133 10 0 BEAERN CCOC1=NN(c2ccccc2C)C(=O)C1 ZINC000039100365 170320710 /nfs/dbraw/zinc/32/07/10/170320710.db2.gz PZWZZPVSQKASII-UHFFFAOYSA-N 0 0 218.256 2.082 10 0 BEAERN CCOCCCC(=O)Nc1cc(N)ccc1F ZINC000022171899 170366777 /nfs/dbraw/zinc/36/67/77/170366777.db2.gz DJLDBNYAXOWNFA-UHFFFAOYSA-N 0 0 240.278 2.163 10 0 BEAERN CCOCCCNc1ccc(C(N)=S)cc1 ZINC000019866980 170384294 /nfs/dbraw/zinc/38/42/94/170384294.db2.gz NWAWMGADRMYXSJ-UHFFFAOYSA-N 0 0 238.356 2.159 10 0 BEAERN CCOCCN(CC)c1ccc(CO)cc1C ZINC000104190849 170396374 /nfs/dbraw/zinc/39/63/74/170396374.db2.gz UVFXMOJPYVEJCO-UHFFFAOYSA-N 0 0 237.343 2.350 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc32)O1 ZINC000133175263 411644133 /nfs/dbraw/zinc/64/41/33/411644133.db2.gz NUGRTCUVJLHLAE-SCDSUCTJSA-N 0 0 245.322 2.010 10 0 BEAERN CCc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)[nH]1 ZINC000131642471 411581969 /nfs/dbraw/zinc/58/19/69/411581969.db2.gz NUTRUVJKRDTUOC-LPEHRKFASA-N 0 0 222.336 2.206 10 0 BEAERN CCCc1nccnc1N[C@H]1CCC[C@H](O)C1 ZINC000663393110 411645973 /nfs/dbraw/zinc/64/59/73/411645973.db2.gz FIQHEMRDKIXCMB-QWRGUYRKSA-N 0 0 235.331 2.145 10 0 BEAERN CCCc1nccnc1N1CCC([C@H](C)O)CC1 ZINC000663589288 411707001 /nfs/dbraw/zinc/70/70/01/411707001.db2.gz CWHWQDAXKAPANA-NSHDSACASA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1NC[C@@H](O)CCC ZINC000663599490 411708656 /nfs/dbraw/zinc/70/86/56/411708656.db2.gz UNPTXEUYCAQWPQ-JTQLQIEISA-N 0 0 223.320 2.002 10 0 BEAERN CCCc1nccnc1NC[C@H](C)C[C@@H](C)O ZINC000663651079 411714790 /nfs/dbraw/zinc/71/47/90/411714790.db2.gz OUVWIBNXPGDVDM-GHMZBOCLSA-N 0 0 237.347 2.248 10 0 BEAERN CCO[C@@H](C)O[C@H](C)CO[C@@H](C)OCC ZINC000100051225 170502361 /nfs/dbraw/zinc/50/23/61/170502361.db2.gz TZVJNJVDGXFMCF-OUAUKWLOSA-N 0 0 220.309 2.173 10 0 endogenous,in-man BEAERN CCO[P@@]1(=O)NCc2ccccc2O1 ZINC000039099958 170512736 /nfs/dbraw/zinc/51/27/36/170512736.db2.gz WAOXPJSOCQHIKC-AWEZNQCLSA-N 0 0 213.173 2.313 10 0 BEAERN CCOc1cc(C)c(NN)cc1Cl ZINC000082589116 170519792 /nfs/dbraw/zinc/51/97/92/170519792.db2.gz JXEFKUMOJYTKCH-UHFFFAOYSA-N 0 0 200.669 2.333 10 0 BEAERN CCOc1ccc(C=O)c(F)c1OCC ZINC000045805864 170540880 /nfs/dbraw/zinc/54/08/80/170540880.db2.gz UNPXDYUOEGPRSE-UHFFFAOYSA-N 0 0 212.220 2.436 10 0 BEAERN CCOc1ccc(N)cc1Cn1ccnc1C ZINC000037065323 170549943 /nfs/dbraw/zinc/54/99/43/170549943.db2.gz GCPKDAHKMNTRNB-UHFFFAOYSA-N 0 0 231.299 2.221 10 0 BEAERN CCOc1cccc(-c2cc(C)nc(N)n2)c1 ZINC000062208487 170570570 /nfs/dbraw/zinc/57/05/70/170570570.db2.gz HJEWALHEGHAAAL-UHFFFAOYSA-N 0 0 229.283 2.433 10 0 BEAERN CCOc1cccc([C@H](C(=O)[O-])[N@H+](C)C2CC2)c1 ZINC000077427080 170585467 /nfs/dbraw/zinc/58/54/67/170585467.db2.gz VYXDSHUREVKKPS-CYBMUJFWSA-N 0 0 249.310 2.305 10 0 BEAERN CCOc1ccccc1CNC(=O)N[C@H]1C[C@@H]1C ZINC000170811870 170592039 /nfs/dbraw/zinc/59/20/39/170592039.db2.gz IEJXXCMCZPSITK-JQWIXIFHSA-N 0 0 248.326 2.293 10 0 BEAERN CCCc1nccnc1NCC[C@@H]1CCOC1 ZINC000663793208 411748643 /nfs/dbraw/zinc/74/86/43/411748643.db2.gz GCPWDCCXPMAMRA-LLVKDONJSA-N 0 0 235.331 2.268 10 0 BEAERN CCOc1ncnnc1-c1ccc(F)cc1 ZINC000001417623 170605183 /nfs/dbraw/zinc/60/51/83/170605183.db2.gz LQLYLHMURTUREY-UHFFFAOYSA-N 0 0 219.219 2.076 10 0 BEAERN CCCc1nccnc1N[C@H]1C[C@@H](O)C1(C)C ZINC000663820354 411754058 /nfs/dbraw/zinc/75/40/58/411754058.db2.gz CHPBGBGTMLCSJY-WDEREUQCSA-N 0 0 235.331 2.000 10 0 BEAERN CCCc1nccnc1NCCCOC(F)F ZINC000663881627 411768292 /nfs/dbraw/zinc/76/82/92/411768292.db2.gz QLBNECDYZATQNS-UHFFFAOYSA-N 0 0 245.273 2.470 10 0 BEAERN CCSCc1cc2c(cc1N)OCCO2 ZINC000037066061 170644508 /nfs/dbraw/zinc/64/45/08/170644508.db2.gz NLDBCFUZHVDZFY-UHFFFAOYSA-N 0 0 225.313 2.293 10 0 BEAERN CCCc1nccnc1NCC1=CCOCC1 ZINC000663952493 411788586 /nfs/dbraw/zinc/78/85/86/411788586.db2.gz KXAHGXLPPDALAC-UHFFFAOYSA-N 0 0 233.315 2.188 10 0 BEAERN CC[C@@H](C(=O)OC)c1ccccc1OC ZINC000041217225 170673184 /nfs/dbraw/zinc/67/31/84/170673184.db2.gz XCRIAQFZCVHTMK-SECBINFHSA-N 0 0 208.257 2.362 10 0 BEAERN CC[C@@H](C)C(=O)N(C)Cc1ccccc1N ZINC000035360678 170676850 /nfs/dbraw/zinc/67/68/50/170676850.db2.gz SMORQCGVIFOZIL-SNVBAGLBSA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@@H](C)Nc1cccc(S(C)(=O)=O)c1 ZINC000037763326 170760164 /nfs/dbraw/zinc/76/01/64/170760164.db2.gz XQIKWCGYTOKZMZ-SECBINFHSA-N 0 0 227.329 2.301 10 0 BEAERN CC[C@@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000048265360 170760983 /nfs/dbraw/zinc/76/09/83/170760983.db2.gz BKDNXJDGVDPABL-MFKMUULPSA-N 0 0 233.311 2.043 10 0 BEAERN Nc1nc(-c2ccc(OCCF)nc2)cs1 ZINC000606302587 411971541 /nfs/dbraw/zinc/97/15/41/411971541.db2.gz QWEPKDDCPKPKHQ-UHFFFAOYSA-N 0 0 239.275 2.136 10 0 BEAERN CC[C@@H](NC(=O)Cc1ccccc1N)C(C)C ZINC000042584360 170877948 /nfs/dbraw/zinc/87/79/48/170877948.db2.gz LZZIAEPSTPZGLP-CYBMUJFWSA-N 0 0 234.343 2.362 10 0 BEAERN OCC1CC(Nc2cc(C(F)(F)F)ccn2)C1 ZINC000664648474 412006817 /nfs/dbraw/zinc/00/68/17/412006817.db2.gz HATPIIQAUFZAHO-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CC[C@@H](Nc1cc(C(N)=O)ccc1N)C(C)C ZINC000103966075 170914891 /nfs/dbraw/zinc/91/48/91/170914891.db2.gz CLPDGUIVBYAWIT-LLVKDONJSA-N 0 0 235.331 2.214 10 0 BEAERN CC[C@@H](Oc1ccc(N)c2ccccc12)C(N)=O ZINC000104199330 170946694 /nfs/dbraw/zinc/94/66/94/170946694.db2.gz ACJNPNCZAKSWTH-GFCCVEGCSA-N 0 0 244.294 2.065 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000662212378 412026777 /nfs/dbraw/zinc/02/67/77/412026777.db2.gz OVLKGXGFBJXNRB-GARJFASQSA-N 0 0 213.321 2.074 10 0 BEAERN CC[C@@H]1CN(C(=O)N[C@@H](C)C(C)C)C[C@H](C)O1 ZINC000111442274 171065895 /nfs/dbraw/zinc/06/58/95/171065895.db2.gz KIIUEAFKPGXGEY-SDDRHHMPSA-N 0 0 242.363 2.240 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nc(C)nc(C)c1F ZINC000309093584 171142263 /nfs/dbraw/zinc/14/22/63/171142263.db2.gz DASPYKQKXYPVHW-RKDXNWHRSA-N 0 0 209.268 2.443 10 0 BEAERN CC[C@@](C)(Nc1ccc(C)cc1)C(N)=O ZINC000037941717 171175994 /nfs/dbraw/zinc/17/59/94/171175994.db2.gz PUBGKUCWEUNXIJ-GFCCVEGCSA-N 0 0 206.289 2.061 10 0 BEAERN CC[C@@]1(C)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121393369 171198721 /nfs/dbraw/zinc/19/87/21/171198721.db2.gz UJTZNISAXKJAJB-UWVGGRQHSA-N 0 0 239.281 2.422 10 0 BEAERN CC[C@@]1(C)Nc2c(OC)cccc2OC1=O ZINC000021997697 171209363 /nfs/dbraw/zinc/20/93/63/171209363.db2.gz OJCXYXXHWPTSFG-GFCCVEGCSA-N 0 0 221.256 2.195 10 0 BEAERN CC[C@@]1(C)Nc2c(C)cccc2OC1=O ZINC000021997666 171209488 /nfs/dbraw/zinc/20/94/88/171209488.db2.gz WTBCZZNTTJVHSR-GFCCVEGCSA-N 0 0 205.257 2.495 10 0 BEAERN CC[C@H](C)C(=O)N(C)CCc1ncc(C)s1 ZINC000124967476 171246352 /nfs/dbraw/zinc/24/63/52/171246352.db2.gz LTOKOLAOZYHEFI-VIFPVBQESA-N 0 0 240.372 2.499 10 0 BEAERN CC[C@H](C)C(=O)N1CCc2ccc(N)cc21 ZINC000019874734 171249188 /nfs/dbraw/zinc/24/91/88/171249188.db2.gz ASIJFBBNIOOLIB-VIFPVBQESA-N 0 0 218.300 2.204 10 0 BEAERN CC[C@H](C)C(=O)Nc1nc(COC)cs1 ZINC000115244208 171256721 /nfs/dbraw/zinc/25/67/21/171256721.db2.gz GZOLTBXMOFOPNI-ZETCQYMHSA-N 0 0 228.317 2.274 10 0 BEAERN CC[C@H](C)[N@H+](CCOC)C[C@@](C)(CC)C(=O)[O-] ZINC000051290408 171315620 /nfs/dbraw/zinc/31/56/20/171315620.db2.gz FEUWDEHZSJHHJU-WCQYABFASA-N 0 0 245.363 2.234 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000038066037 171344727 /nfs/dbraw/zinc/34/47/27/171344727.db2.gz UDFRWIROAFTICA-WRWORJQWSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)N[C@@H](C(=O)OC)c1ccccc1F ZINC000038067241 171344789 /nfs/dbraw/zinc/34/47/89/171344789.db2.gz IRLXQUSCXHTARB-JOYOIKCWSA-N 0 0 239.290 2.428 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000038066529 171345135 /nfs/dbraw/zinc/34/51/35/171345135.db2.gz QNUCCWIWKRMREI-WRWORJQWSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccccc1C ZINC000038065709 171348473 /nfs/dbraw/zinc/34/84/73/171348473.db2.gz LEPYVMPLGSXTSH-FZMZJTMJSA-N 0 0 234.343 2.084 10 0 BEAERN CC[C@H](C)N[C@]1(C(=O)OC)CCc2ccccc21 ZINC000038067037 171349929 /nfs/dbraw/zinc/34/99/29/171349929.db2.gz VNRWUAFCHIMCOR-XHDPSFHLSA-N 0 0 247.338 2.389 10 0 BEAERN CC[C@H](C)OC(=O)c1cc(N)ccc1N(C)C ZINC000048671255 171351468 /nfs/dbraw/zinc/35/14/68/171351468.db2.gz MDCXETZSXAUZHG-VIFPVBQESA-N 0 0 236.315 2.290 10 0 BEAERN CC[C@H](C)OC(=O)[C@H]1Cc2ccccc2N1 ZINC000048265510 171351566 /nfs/dbraw/zinc/35/15/66/171351566.db2.gz FUQSEBYURNJWJM-JOYOIKCWSA-N 0 0 219.284 2.365 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000061821055 171370052 /nfs/dbraw/zinc/37/00/52/171370052.db2.gz UAENOEUDCSVTEK-WDEREUQCSA-N 0 0 226.364 2.008 10 0 BEAERN CC[C@H](C)[C@@H](N)c1nc(-c2ccc(O)cc2)no1 ZINC000021034890 171372905 /nfs/dbraw/zinc/37/29/05/171372905.db2.gz WVSHYYSMJOIVBZ-GZMMTYOYSA-N 0 0 247.298 2.488 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1cc(N)cc(N)c1 ZINC000042551102 171388230 /nfs/dbraw/zinc/38/82/30/171388230.db2.gz OWPATMYNZOSFEZ-IUCAKERBSA-N 0 0 235.331 2.015 10 0 BEAERN C[C@@H]1CCC[C@H](N(C)C(=O)c2ncccc2N)C1 ZINC000132622336 412141258 /nfs/dbraw/zinc/14/12/58/412141258.db2.gz WFZCIVKBESRHGM-MNOVXSKESA-N 0 0 247.342 2.315 10 0 BEAERN CC1(C)CCCN(C(=O)c2ncccc2N)CC1 ZINC000132749530 412249076 /nfs/dbraw/zinc/24/90/76/412249076.db2.gz JDXYNEVIWUFQJJ-UHFFFAOYSA-N 0 0 247.342 2.316 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1ncccc1N ZINC000132878178 412337262 /nfs/dbraw/zinc/33/72/62/412337262.db2.gz JNVNGTZDUTZAGR-LLVKDONJSA-N 0 0 247.342 2.459 10 0 BEAERN CC[C@](C)(Nc1ccc(OC)cc1)C(=O)OC ZINC000037952931 171699200 /nfs/dbraw/zinc/69/92/00/171699200.db2.gz HLTDOAPLWBBFPR-ZDUSSCGKSA-N 0 0 237.299 2.449 10 0 BEAERN CCc1ccc(-c2nc[nH]c(=O)c2C)cc1 ZINC000079067309 171779876 /nfs/dbraw/zinc/77/98/76/171779876.db2.gz OLJZZHYSJIAHIE-UHFFFAOYSA-N 0 0 214.268 2.308 10 0 BEAERN CCc1ccc([C@H]([NH3+])CCC(=O)[O-])cc1 ZINC000020217238 171842824 /nfs/dbraw/zinc/84/28/24/171842824.db2.gz XBLRRHHVNYPYTJ-LLVKDONJSA-N 0 0 207.273 2.114 10 0 BEAERN CCc1ccc([C@H]2NC[C@@H](C)O[C@@H]2C)o1 ZINC000068576061 171845433 /nfs/dbraw/zinc/84/54/33/171845433.db2.gz ZKMFNBKTKXOQST-LNLATYFQSA-N 0 0 209.289 2.280 10 0 BEAERN CCc1ccc2sc(NCCO)nc2c1 ZINC000039102340 171852355 /nfs/dbraw/zinc/85/23/55/171852355.db2.gz XTQXNBBCQIQHSQ-UHFFFAOYSA-N 0 0 222.313 2.263 10 0 BEAERN CCc1cccc(NC(=O)c2cc(N)ccn2)c1 ZINC000050699792 171861849 /nfs/dbraw/zinc/86/18/49/171861849.db2.gz UYGQOYANTFZPTC-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CCc1nc(N)nc(-c2ccc(C)c(F)c2)n1 ZINC000104386558 171995359 /nfs/dbraw/zinc/99/53/59/171995359.db2.gz XVCNNXSKKXCIHJ-UHFFFAOYSA-N 0 0 232.262 2.131 10 0 BEAERN CCc1nc(N)cc(-c2cccs2)n1 ZINC000044262602 171995535 /nfs/dbraw/zinc/99/55/35/171995535.db2.gz UCHVJKXZXZUSPY-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN CCc1nc(-c2ccncc2)cc(=S)[nH]1 ZINC000045956421 172000666 /nfs/dbraw/zinc/00/06/66/172000666.db2.gz SDWBPPGZHXNBQW-UHFFFAOYSA-N 0 0 217.297 2.390 10 0 BEAERN CCc1nc([C@@](C)([NH3+])C2CCCCC2)no1 ZINC000037367384 172005104 /nfs/dbraw/zinc/00/51/04/172005104.db2.gz SQAKQXRKIWKGHX-LBPRGKRZSA-N 0 0 223.320 2.386 10 0 BEAERN CCc1nc([C@H](N)c2ccc(C)cc2C)no1 ZINC000036762734 172007842 /nfs/dbraw/zinc/00/78/42/172007842.db2.gz PWBQUUZBGARHFA-GFCCVEGCSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1ccc([C@@H](N)c2noc(CC)n2)s1 ZINC000051720806 172007981 /nfs/dbraw/zinc/00/79/81/172007981.db2.gz ODAWYQUPHBEYBT-SNVBAGLBSA-N 0 0 237.328 2.304 10 0 BEAERN CCc1ncc(C(=O)N[C@@H](C)C(C)C)s1 ZINC000068413118 172015950 /nfs/dbraw/zinc/01/59/50/172015950.db2.gz HZWOAGXTCONFHZ-QMMMGPOBSA-N 0 0 226.345 2.480 10 0 BEAERN CCc1nccn1CCc1ccccc1N ZINC000052918859 172024901 /nfs/dbraw/zinc/02/49/01/172024901.db2.gz IEHDSFPQJPSEPS-UHFFFAOYSA-N 0 0 215.300 2.270 10 0 BEAERN CCc1nnc(CN[C@H](C)c2ccc(C)o2)n1C ZINC000182573433 172053318 /nfs/dbraw/zinc/05/33/18/172053318.db2.gz DCYKBESOCLNWKF-SNVBAGLBSA-N 0 0 248.330 2.130 10 0 BEAERN CCc1nnc(CSc2ccccc2O)n1C ZINC000177266764 172055510 /nfs/dbraw/zinc/05/55/10/172055510.db2.gz AGDIHPCOGVVFOI-UHFFFAOYSA-N 0 0 249.339 2.375 10 0 BEAERN CCc1nnsc1C(=O)NC(C)(CC)CC ZINC000112827646 172069939 /nfs/dbraw/zinc/06/99/39/172069939.db2.gz BSHWORWBEYVFKQ-UHFFFAOYSA-N 0 0 241.360 2.409 10 0 BEAERN CCc1noc(-c2sc(N)cc2C)n1 ZINC000101319978 172073454 /nfs/dbraw/zinc/07/34/54/172073454.db2.gz HGKBOHNJBIARTD-UHFFFAOYSA-N 0 0 209.274 2.251 10 0 BEAERN CCc1noc(C)c1C[N@H+](C[C@@H](C)O)C(C)C ZINC000119040703 172076016 /nfs/dbraw/zinc/07/60/16/172076016.db2.gz OJGJXZTXSNFNON-SNVBAGLBSA-N 0 0 240.347 2.137 10 0 BEAERN CCc1nsc(NCCOCC(C)C)n1 ZINC000129583106 172105933 /nfs/dbraw/zinc/10/59/33/172105933.db2.gz VQAVGULXKKQOCD-UHFFFAOYSA-N 0 0 229.349 2.185 10 0 BEAERN CCc1nsc(N[C@@]2(C)CCCOC2)n1 ZINC000309049859 172106695 /nfs/dbraw/zinc/10/66/95/172106695.db2.gz QIXCEYBFBIBJHA-JTQLQIEISA-N 0 0 227.333 2.082 10 0 BEAERN CCc1oc(Br)cc1C=O ZINC000082381378 172109128 /nfs/dbraw/zinc/10/91/28/172109128.db2.gz GFUNCVHYROXHDX-UHFFFAOYSA-N 0 0 203.035 2.417 10 0 BEAERN CCc1oc(C(=O)NCC[C@@H](O)CC)cc1C ZINC000125202210 172111529 /nfs/dbraw/zinc/11/15/29/172111529.db2.gz GFCBWXPRTLDJCN-JTQLQIEISA-N 0 0 239.315 2.041 10 0 BEAERN CCn1c2cc(F)ccc2nc1-c1c[nH]nc1N ZINC000052124631 172131266 /nfs/dbraw/zinc/13/12/66/172131266.db2.gz QPSJYXWWNOKTHB-UHFFFAOYSA-N 0 0 245.261 2.168 10 0 BEAERN CCn1c2cc(C)ccc2cc(C=O)c1=O ZINC000039288574 172132552 /nfs/dbraw/zinc/13/25/52/172132552.db2.gz RFJHSKDZLJKGGJ-UHFFFAOYSA-N 0 0 215.252 2.142 10 0 BEAERN CCn1c(C(=O)OC)cc2c1cccc2OC ZINC000032918977 172133372 /nfs/dbraw/zinc/13/33/72/172133372.db2.gz NTLCBRBUVHVSCA-UHFFFAOYSA-N 0 0 233.267 2.456 10 0 BEAERN CCn1c(C)nnc1COc1cccc(F)c1 ZINC000180308485 172140915 /nfs/dbraw/zinc/14/09/15/172140915.db2.gz UPNJYVGWTDKKPG-UHFFFAOYSA-N 0 0 235.262 2.325 10 0 BEAERN CCn1c(N)nnc1SCc1ccccc1 ZINC000001922691 172145803 /nfs/dbraw/zinc/14/58/03/172145803.db2.gz DBYQGTMTXGOCOG-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1cc(Cc2cn(CC)nc2C)c(C)n1 ZINC000000198734 172177181 /nfs/dbraw/zinc/17/71/81/172177181.db2.gz FABMJIPZSBCRHB-UHFFFAOYSA-N 0 0 232.331 2.327 10 0 BEAERN CCn1ccnc(N[C@H](C)c2ccco2)c1=O ZINC000061763112 172212418 /nfs/dbraw/zinc/21/24/18/172212418.db2.gz AFGJXBIXBMOACF-SECBINFHSA-N 0 0 233.271 2.029 10 0 BEAERN CCn1ccnc1COc1ccccc1N ZINC000054743870 172225663 /nfs/dbraw/zinc/22/56/63/172225663.db2.gz NFNNCMIYRZTHOP-UHFFFAOYSA-N 0 0 217.272 2.064 10 0 BEAERN CCn1ccnc1N(C)Cc1ccccc1N ZINC000050614430 172226518 /nfs/dbraw/zinc/22/65/18/172226518.db2.gz DEKJQLVVRKPYRM-UHFFFAOYSA-N 0 0 230.315 2.122 10 0 BEAERN CCn1cnc(-c2cc(F)ccc2F)c1N ZINC000104900918 172230468 /nfs/dbraw/zinc/23/04/68/172230468.db2.gz AAQLWCMCVOBADD-UHFFFAOYSA-N 0 0 223.226 2.430 10 0 BEAERN CCn1cnc(-c2ccc3c(c2)CCN3C)c1N ZINC000103475006 172230559 /nfs/dbraw/zinc/23/05/59/172230559.db2.gz JXGDQMFELYWFHH-UHFFFAOYSA-N 0 0 242.326 2.145 10 0 BEAERN CN(C(=O)C(C)(C)C)[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215735301 172295666 /nfs/dbraw/zinc/29/56/66/172295666.db2.gz QOALFBGMYNMKDM-AXFHLTTASA-N 0 0 207.317 2.456 10 0 BEAERN CN(C(=O)C1CCCCC1)[C@H]1CCCC[C@H]1O ZINC000001765722 172299588 /nfs/dbraw/zinc/29/95/88/172299588.db2.gz RLLKSOVSLFBSQK-QWHCGFSZSA-N 0 0 239.359 2.329 10 0 BEAERN CN(C(=O)CCc1ccnn1C)C1CCCCC1 ZINC000119041919 172307057 /nfs/dbraw/zinc/30/70/57/172307057.db2.gz KUNPHYUPMLEZDU-UHFFFAOYSA-N 0 0 249.358 2.144 10 0 BEAERN CN(C(=O)CF)c1nc2ccccc2s1 ZINC000045237772 172308219 /nfs/dbraw/zinc/30/82/19/172308219.db2.gz HCUVEZGJCMMZEE-UHFFFAOYSA-N 0 0 224.260 2.229 10 0 BEAERN CN(C(=O)c1cc(N)nc2ccccc21)C1CC1 ZINC000050701184 172337449 /nfs/dbraw/zinc/33/74/49/172337449.db2.gz RHXYBFWQOYONAC-UHFFFAOYSA-N 0 0 241.294 2.051 10 0 BEAERN CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCOC1 ZINC000107598364 172340738 /nfs/dbraw/zinc/34/07/38/172340738.db2.gz QZZIQHACLDKROS-LBPRGKRZSA-N 0 0 244.294 2.029 10 0 BEAERN CN(C(=O)c1ccoc1)c1cccc(N)c1 ZINC000041021994 172345189 /nfs/dbraw/zinc/34/51/89/172345189.db2.gz UQNSRQGPVFSKOJ-UHFFFAOYSA-N 0 0 216.240 2.138 10 0 BEAERN CN(C(=O)c1csc(N)n1)c1ccccc1 ZINC000055176939 172348097 /nfs/dbraw/zinc/34/80/97/172348097.db2.gz UJUNWCBKPLUNCE-UHFFFAOYSA-N 0 0 233.296 2.002 10 0 BEAERN CN(C)C(=O)CCNc1ccc(F)cc1Cl ZINC000037897896 172361184 /nfs/dbraw/zinc/36/11/84/172361184.db2.gz UERPDJNITOFFCB-UHFFFAOYSA-N 0 0 244.697 2.369 10 0 BEAERN CN(C)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000082274150 172379214 /nfs/dbraw/zinc/37/92/14/172379214.db2.gz HGOBXKJHFMGTRF-UHFFFAOYSA-N 0 0 222.263 2.086 10 0 BEAERN CN(C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111048269 172379880 /nfs/dbraw/zinc/37/98/80/172379880.db2.gz HESIQJWECHVOET-RYUDHWBXSA-N 0 0 218.300 2.061 10 0 BEAERN CN(C)C(=O)c1cccc(NC2CCC2)c1 ZINC000044481423 172390690 /nfs/dbraw/zinc/39/06/90/172390690.db2.gz QISSXNMRNCUUIN-UHFFFAOYSA-N 0 0 218.300 2.353 10 0 BEAERN CN(C)C(=O)c1ccc(OC2CC2)c(F)c1 ZINC000095722943 172391328 /nfs/dbraw/zinc/39/13/28/172391328.db2.gz DEPYJZKKXRCQTN-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)C(=O)c1cccc(-c2ccc(O)cn2)c1 ZINC000065356015 172391365 /nfs/dbraw/zinc/39/13/65/172391365.db2.gz NNKXGCWURRXHIT-UHFFFAOYSA-N 0 0 242.278 2.156 10 0 BEAERN CN(C)C(=O)c1ccccc1NC1CCC1 ZINC000044481581 172391875 /nfs/dbraw/zinc/39/18/75/172391875.db2.gz LUOPHQSDZQTQPL-UHFFFAOYSA-N 0 0 218.300 2.353 10 0 BEAERN CN(C)C(=S)Oc1ccc2ccc(=O)oc2c1 ZINC000001861781 172392926 /nfs/dbraw/zinc/39/29/26/172392926.db2.gz HKHBSEXPMPKERZ-UHFFFAOYSA-N 0 0 249.291 2.018 10 0 BEAERN C[NH+](C)C(C)(C)CNc1ccccc1C(=O)[O-] ZINC000050913404 172397598 /nfs/dbraw/zinc/39/75/98/172397598.db2.gz KWACZJIAVKGPFJ-UHFFFAOYSA-N 0 0 236.315 2.137 10 0 BEAERN C[NH+](C)Cc1oc2ccccc2c1C(=O)[O-] ZINC000051360844 172509319 /nfs/dbraw/zinc/50/93/19/172509319.db2.gz MEJVVWFMJGMRHQ-UHFFFAOYSA-N 0 0 219.240 2.193 10 0 BEAERN C[NH+](C)[C@H](CC(=O)[O-])c1cccc(F)c1F ZINC000070822258 172533832 /nfs/dbraw/zinc/53/38/32/172533832.db2.gz RXZYSCQEMCMKDM-SECBINFHSA-N 0 0 229.226 2.042 10 0 BEAERN CN(C)c1cccc(CNCC(F)(F)F)c1 ZINC000037974004 172567122 /nfs/dbraw/zinc/56/71/22/172567122.db2.gz LGGRAVWTJWLLSB-UHFFFAOYSA-N 0 0 232.249 2.405 10 0 BEAERN CN(C)c1cccc(OC2CC2)c1C=O ZINC000095738261 172568557 /nfs/dbraw/zinc/56/85/57/172568557.db2.gz PPGBKVIHPVUEJU-UHFFFAOYSA-N 0 0 205.257 2.106 10 0 BEAERN CN(C)c1ncccc1N[C@@H]1CCSC1 ZINC000037028660 172585872 /nfs/dbraw/zinc/58/58/72/172585872.db2.gz GGUGNJFNIAIVSU-SECBINFHSA-N 0 0 223.345 2.065 10 0 BEAERN CN(CC(C)(C)C)c1ncnc(Cl)c1N ZINC000062364103 172625543 /nfs/dbraw/zinc/62/55/43/172625543.db2.gz HOYATBSLLRPZGC-UHFFFAOYSA-N 0 0 228.727 2.195 10 0 BEAERN CN(C[C@@H]1CCCCO1)c1ccccc1N ZINC000048947444 172809173 /nfs/dbraw/zinc/80/91/73/172809173.db2.gz WSXWKQCNXMVGHM-NSHDSACASA-N 0 0 220.316 2.274 10 0 BEAERN CN(Cc1cccc(N)c1)c1nccs1 ZINC000037672545 172865720 /nfs/dbraw/zinc/86/57/20/172865720.db2.gz PTVFUVPSFXJQOY-UHFFFAOYSA-N 0 0 219.313 2.362 10 0 BEAERN CN(Cc1nc(-c2ccoc2)no1)CC(F)F ZINC000105614545 172923690 /nfs/dbraw/zinc/92/36/90/172923690.db2.gz HDSDMHLTRATSLY-UHFFFAOYSA-N 0 0 243.213 2.027 10 0 BEAERN C[N@@H+]1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000075906311 173048208 /nfs/dbraw/zinc/04/82/08/173048208.db2.gz RWQKPTJLFCESDB-LBPRGKRZSA-N 0 0 219.284 2.194 10 0 BEAERN C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1 ZINC000013474999 173156285 /nfs/dbraw/zinc/15/62/85/173156285.db2.gz MVNHJEXPDKVMJY-DGCLKSJQSA-N 0 0 239.746 2.368 10 0 BEAERN CN1c2ccccc2NC(=O)c2cccnc21 ZINC000005852258 173208267 /nfs/dbraw/zinc/20/82/67/173208267.db2.gz JAZJMDYVHIJMJH-UHFFFAOYSA-N 0 0 225.251 2.415 10 0 BEAERN CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000047652082 173234486 /nfs/dbraw/zinc/23/44/86/173234486.db2.gz ONPZIISPZYFDNW-UHFFFAOYSA-N 0 0 245.322 2.274 10 0 BEAERN CNC(=O)CC[C@@H]1CCNc2ccccc21 ZINC000068575970 173262836 /nfs/dbraw/zinc/26/28/36/173262836.db2.gz RZGCEEZYQYVLMD-SNVBAGLBSA-N 0 0 218.300 2.112 10 0 BEAERN CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178077302 173292236 /nfs/dbraw/zinc/29/22/36/173292236.db2.gz QSYLLDBQZBRUOF-SECBINFHSA-N 0 0 246.232 2.089 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000020307706 173303905 /nfs/dbraw/zinc/30/39/05/173303905.db2.gz ABEQZOCEVCOWOT-QMMMGPOBSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000020307735 173303939 /nfs/dbraw/zinc/30/39/39/173303939.db2.gz TVJCJMQHWGGPTJ-ZETCQYMHSA-N 0 0 246.232 2.252 10 0 BEAERN CNC(=O)c1cc(-c2ccccc2)sc1N ZINC000104423135 173309114 /nfs/dbraw/zinc/30/91/14/173309114.db2.gz JJXHKYBSCPMCES-UHFFFAOYSA-N 0 0 232.308 2.357 10 0 BEAERN CNC(=O)c1ccc(O)cc1C(C)(C)C ZINC000095724956 173311215 /nfs/dbraw/zinc/31/12/15/173311215.db2.gz QAWLAQKBLWSMOI-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1ccc(OC2CC2)c(Cl)c1 ZINC000095722939 173311217 /nfs/dbraw/zinc/31/12/17/173311217.db2.gz UANLPLAOXMAPNL-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=O)c1cccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000037219674 173312045 /nfs/dbraw/zinc/31/20/45/173312045.db2.gz ZQJCAXPPAXHCNA-DDTOSNHZSA-N 0 0 242.322 2.423 10 0 BEAERN CNC(=S)[C@H]1CCCc2cccnc21 ZINC000137911021 173316793 /nfs/dbraw/zinc/31/67/93/173316793.db2.gz ZWLNJZRTYTWLTG-VIFPVBQESA-N 0 0 206.314 2.048 10 0 BEAERN CNC(=S)c1ccc2ncccc2c1 ZINC000075856546 173317429 /nfs/dbraw/zinc/31/74/29/173317429.db2.gz MGGJGHHFZCSOID-UHFFFAOYSA-N 0 0 202.282 2.130 10 0 BEAERN CNC(C)(C)C(=O)O[C@@H]1CCCC[C@@H]1C ZINC000061171915 173319109 /nfs/dbraw/zinc/31/91/09/173319109.db2.gz BQKAJEVCHCXMHG-VHSXEESVSA-N 0 0 213.321 2.106 10 0 BEAERN CNC(C)(C)C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000061172123 173319745 /nfs/dbraw/zinc/31/97/45/173319745.db2.gz WMWFMPFAMFQQKO-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN CNCc1nnc(Cc2cccc(Cl)c2)o1 ZINC000052945640 173397754 /nfs/dbraw/zinc/39/77/54/173397754.db2.gz SJVZXZZHIWFTFO-UHFFFAOYSA-N 0 0 237.690 2.033 10 0 BEAERN CNCc1noc(-c2cccc(Cl)c2)n1 ZINC000051848606 173399863 /nfs/dbraw/zinc/39/98/63/173399863.db2.gz QVFQWZFDRYXCCU-UHFFFAOYSA-N 0 0 223.663 2.109 10 0 BEAERN CNc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000050752243 173477597 /nfs/dbraw/zinc/47/75/97/173477597.db2.gz ISLUHFRFOQQLIN-GXFFZTMASA-N 0 0 248.326 2.026 10 0 BEAERN CNc1cccc(C2N=NC(=S)O2)c1 ZINC000082532792 173481475 /nfs/dbraw/zinc/48/14/75/173481475.db2.gz JBAXLOUISQHJOD-UHFFFAOYSA-N 0 0 207.258 2.067 10 0 BEAERN CNc1nc(-c2cc(Cl)ncn2)cs1 ZINC000091301248 173485033 /nfs/dbraw/zinc/48/50/33/173485033.db2.gz WVOKVBIEELFKFB-UHFFFAOYSA-N 0 0 226.692 2.295 10 0 BEAERN CNc1nc(Cl)nc(NC2CCCCC2)n1 ZINC000087806620 173487523 /nfs/dbraw/zinc/48/75/23/173487523.db2.gz DLWHFQHOJZIXFV-UHFFFAOYSA-N 0 0 241.726 2.311 10 0 BEAERN CNc1sc(N)nc1-c1ccccc1 ZINC000028085702 173490550 /nfs/dbraw/zinc/49/05/50/173490550.db2.gz ZVYHLQMJJGXHJT-UHFFFAOYSA-N 0 0 205.286 2.434 10 0 BEAERN CNc1sc2c(c1C(=O)OC)CCC2 ZINC000062796681 173490693 /nfs/dbraw/zinc/49/06/93/173490693.db2.gz PWMVWOWVCCBDLV-UHFFFAOYSA-N 0 0 211.286 2.065 10 0 BEAERN COC(=O)C(C)(C)N[C@H]1CCCC[C@@H]1C ZINC000037085281 173507638 /nfs/dbraw/zinc/50/76/38/173507638.db2.gz VUJFHJLJLJFDDR-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN COC(=O)CSc1cc(Cl)ccn1 ZINC000091351920 173616362 /nfs/dbraw/zinc/61/63/62/173616362.db2.gz WIBMMZXESPNIDC-UHFFFAOYSA-N 0 0 217.677 2.000 10 0 BEAERN COC(=O)C[C@@H](C)C(=O)c1ccccc1OC ZINC000043368751 173621006 /nfs/dbraw/zinc/62/10/06/173621006.db2.gz CBTJFNMRGDPZQI-SECBINFHSA-N 0 0 236.267 2.077 10 0 BEAERN COC(=O)C[C@@H](C)Nc1ccc(F)cc1OC ZINC000049567083 173624284 /nfs/dbraw/zinc/62/42/84/173624284.db2.gz ROAOVAQRSXTGEG-MRVPVSSYSA-N 0 0 241.262 2.198 10 0 BEAERN COC(=O)C[C@H]1C=CC=C[C@]1(O)C1CCCC1 ZINC000095630369 173637240 /nfs/dbraw/zinc/63/72/40/173637240.db2.gz SEAGJNIQYGDOEE-OCCSQVGLSA-N 0 0 236.311 2.213 10 0 BEAERN COC(=O)[C@@H](C)Oc1ccc(N)c2ccccc12 ZINC000104195631 173694162 /nfs/dbraw/zinc/69/41/62/173694162.db2.gz CHNQRAMKVNPFBU-SECBINFHSA-N 0 0 245.278 2.362 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N[C@H]1CCCSC1 ZINC000061575806 173698053 /nfs/dbraw/zinc/69/80/53/173698053.db2.gz WCLHNDNUJQBDNH-WDEREUQCSA-N 0 0 245.388 2.059 10 0 BEAERN COC(=O)[C@@H](N[C@H](C)c1ccc(C)o1)C(C)C ZINC000035346488 173712732 /nfs/dbraw/zinc/71/27/32/173712732.db2.gz GLFDZOSCQPGXAV-PWSUYJOCSA-N 0 0 239.315 2.436 10 0 BEAERN COC(=O)[C@H](Nc1cc(N)ccc1C)C(C)C ZINC000053735474 173806681 /nfs/dbraw/zinc/80/66/81/173806681.db2.gz WUZOCDVYQKDMMT-GFCCVEGCSA-N 0 0 236.315 2.187 10 0 BEAERN COC(=O)c1c(C)c2ccccc2n1C ZINC000014592129 173841205 /nfs/dbraw/zinc/84/12/05/173841205.db2.gz WKHVHHJJUJTAMP-UHFFFAOYSA-N 0 0 203.241 2.273 10 0 BEAERN COC(=O)c1cc2cc(Cl)cnc2n1C ZINC000098177670 173862943 /nfs/dbraw/zinc/86/29/43/173862943.db2.gz PQXOXXMIMYZQHW-UHFFFAOYSA-N 0 0 224.647 2.013 10 0 BEAERN COC(=O)c1ccc(-c2ccc(O)cn2)c(F)c1 ZINC000065356031 173866308 /nfs/dbraw/zinc/86/63/08/173866308.db2.gz RIXYZVXQKWSFNN-UHFFFAOYSA-N 0 0 247.225 2.380 10 0 BEAERN COC(=O)c1ccc(N[C@H](C)c2cc[nH]n2)cc1 ZINC000037907056 173885612 /nfs/dbraw/zinc/88/56/12/173885612.db2.gz NUZUURKRIHTERL-SECBINFHSA-N 0 0 245.282 2.369 10 0 BEAERN COC(=O)c1ccc(N[C@H]2CCSC2)cc1 ZINC000034960971 173886131 /nfs/dbraw/zinc/88/61/31/173886131.db2.gz CFMMXLCDJWTZNF-NSHDSACASA-N 0 0 237.324 2.391 10 0 BEAERN COC(=O)c1cccc([C@@H](N)C(F)(F)F)c1 ZINC000072195041 173897347 /nfs/dbraw/zinc/89/73/47/173897347.db2.gz ODJQEJKSUUUMDV-MRVPVSSYSA-N 0 0 233.189 2.035 10 0 BEAERN COC(=O)c1cnc2c(c1)SC[C@H]2C ZINC000021986967 173907848 /nfs/dbraw/zinc/90/78/48/173907848.db2.gz SCUPJSXQFRWJBT-ZCFIWIBFSA-N 0 0 209.270 2.077 10 0 BEAERN COC(=O)c1cnc2ccc(C(F)(F)F)cn12 ZINC000095627202 173907979 /nfs/dbraw/zinc/90/79/79/173907979.db2.gz LNFNCCDSQVHSEB-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN COC(=O)c1coc(-c2cccc(F)c2)n1 ZINC000095932407 173910135 /nfs/dbraw/zinc/91/01/35/173910135.db2.gz PAAWTIUJJVEZGQ-UHFFFAOYSA-N 0 0 221.187 2.267 10 0 BEAERN COCC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000041575382 174055225 /nfs/dbraw/zinc/05/52/25/174055225.db2.gz UTXRWQHXJLAYNH-QJPTWQEYSA-N 0 0 227.348 2.210 10 0 BEAERN COCC(=O)c1cc(OC)ccc1Cl ZINC000036181656 174063174 /nfs/dbraw/zinc/06/31/74/174063174.db2.gz ZTEZWSAXCVYFBS-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN COCC1(C(C)C)COC(C(C)C)OC1 ZINC000002017109 174093170 /nfs/dbraw/zinc/09/31/70/174093170.db2.gz CFTRTANOVLLRJS-UHFFFAOYSA-N 0 0 216.321 2.304 10 0 BEAERN COCCCC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110451509 174166545 /nfs/dbraw/zinc/16/65/45/174166545.db2.gz VEAZEFYWTSUIKN-KBPBESRZSA-N 0 0 247.338 2.333 10 0 BEAERN COCCCN1CCO[C@H](c2ccsc2)C1 ZINC000125539958 174233896 /nfs/dbraw/zinc/23/38/96/174233896.db2.gz OVECDEUUYQRAGB-LBPRGKRZSA-N 0 0 241.356 2.158 10 0 BEAERN COCCCNc1nccnc1C(C)C ZINC000309062858 174253382 /nfs/dbraw/zinc/25/33/82/174253382.db2.gz XQZHNASPDPADRS-UHFFFAOYSA-N 0 0 209.293 2.048 10 0 BEAERN COCCCOc1ccc([C@H](C)O)cc1OC ZINC000037753972 174256647 /nfs/dbraw/zinc/25/66/47/174256647.db2.gz PCYNIDYSSHMRJA-JTQLQIEISA-N 0 0 240.299 2.164 10 0 BEAERN COCCCOc1ccc2ncccc2c1N ZINC000037746828 174256870 /nfs/dbraw/zinc/25/68/70/174256870.db2.gz OCPULPLXFXBJCZ-UHFFFAOYSA-N 0 0 232.283 2.232 10 0 BEAERN COCCCSc1cccc2nccn21 ZINC000089201260 174259619 /nfs/dbraw/zinc/25/96/19/174259619.db2.gz MWQMCEDPFHHHPC-UHFFFAOYSA-N 0 0 222.313 2.463 10 0 BEAERN COCCNc1cc(-c2ccccc2F)[nH]n1 ZINC000062669650 174341277 /nfs/dbraw/zinc/34/12/77/174341277.db2.gz WLLCAZYDKHMCRE-UHFFFAOYSA-N 0 0 235.262 2.274 10 0 BEAERN COCCNc1nc(Cl)c2c(n1)CCCC2 ZINC000057331251 174341542 /nfs/dbraw/zinc/34/15/42/174341542.db2.gz JQYXNBPTGIWHQR-UHFFFAOYSA-N 0 0 241.722 2.067 10 0 BEAERN COCCNc1nc2c(s1)C[C@H](C)CC2 ZINC000061714738 174342293 /nfs/dbraw/zinc/34/22/93/174342293.db2.gz HZWVDIVWEZSIKY-MRVPVSSYSA-N 0 0 226.345 2.326 10 0 BEAERN COCCNc1nc2ccc(OC)cc2s1 ZINC000082727245 174342294 /nfs/dbraw/zinc/34/22/94/174342294.db2.gz XGVJFULTCCPFMW-UHFFFAOYSA-N 0 0 238.312 2.363 10 0 BEAERN COCCSCc1nccn1C(C)C ZINC000173739786 174376010 /nfs/dbraw/zinc/37/60/10/174376010.db2.gz USYXZYNMSNKWRD-UHFFFAOYSA-N 0 0 214.334 2.344 10 0 BEAERN COCC[C@@H](O)c1ccc2ncccc2c1 ZINC000062801927 174395103 /nfs/dbraw/zinc/39/51/03/174395103.db2.gz PGFLVULWRZYUCA-CYBMUJFWSA-N 0 0 217.268 2.305 10 0 BEAERN COCC[C@H](C)Nc1ccc(SC)nn1 ZINC000301246919 174408786 /nfs/dbraw/zinc/40/87/86/174408786.db2.gz HVRHKCWVNWZHSO-QMMMGPOBSA-N 0 0 227.333 2.035 10 0 BEAERN COCC[C@H](C)Nc1ncnc2ccccc21 ZINC000112013202 174409842 /nfs/dbraw/zinc/40/98/42/174409842.db2.gz BPKPXFRLRHABHF-JTQLQIEISA-N 0 0 231.299 2.467 10 0 BEAERN COC[C@@H](C)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000103374199 174434078 /nfs/dbraw/zinc/43/40/78/174434078.db2.gz YDDYTQKUYNYSGQ-ZJUUUORDSA-N 0 0 225.332 2.058 10 0 BEAERN COC[C@@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000171435551 174434385 /nfs/dbraw/zinc/43/43/85/174434385.db2.gz QXFZREMXSKHINJ-BXUZGUMPSA-N 0 0 247.338 2.415 10 0 BEAERN COC[C@@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000103380396 174435167 /nfs/dbraw/zinc/43/51/67/174435167.db2.gz DBKJSYVRDZMFOG-WDEREUQCSA-N 0 0 233.311 2.419 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000103372776 174437230 /nfs/dbraw/zinc/43/72/30/174437230.db2.gz NXBMNOIVVPMOBD-NEPJUHHUSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@@H](C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000127492377 174437311 /nfs/dbraw/zinc/43/73/11/174437311.db2.gz SSBXGNIDTSSLEJ-QWHCGFSZSA-N 0 0 249.354 2.497 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(C)cc1 ZINC000103356294 174438781 /nfs/dbraw/zinc/43/87/81/174438781.db2.gz WJCYAIKSZJVJHX-SNVBAGLBSA-N 0 0 208.257 2.183 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cccc(F)c1F ZINC000103393985 174439113 /nfs/dbraw/zinc/43/91/13/174439113.db2.gz XEPCBJTZSRHPCF-SSDOTTSWSA-N 0 0 230.210 2.153 10 0 BEAERN COC[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000103355755 174526487 /nfs/dbraw/zinc/52/64/87/174526487.db2.gz ICUFEEWFCFWXBD-WDEREUQCSA-N 0 0 233.311 2.247 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000110376626 174527097 /nfs/dbraw/zinc/52/70/97/174527097.db2.gz HCQWBPMNXVHWJX-AAEUAGOBSA-N 0 0 247.338 2.115 10 0 BEAERN COC[C@H](C)Nc1ccc2cn[nH]c2c1 ZINC000053174408 174552965 /nfs/dbraw/zinc/55/29/65/174552965.db2.gz GUUONDYMDVGTID-QMMMGPOBSA-N 0 0 205.261 2.010 10 0 BEAERN COC[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109532725 174559490 /nfs/dbraw/zinc/55/94/90/174559490.db2.gz XLOJZVHAXGILOH-VIFPVBQESA-N 0 0 248.282 2.495 10 0 BEAERN COCc1cc(Cl)nc(-c2ccncc2)n1 ZINC000045955965 174619180 /nfs/dbraw/zinc/61/91/80/174619180.db2.gz SPWCGYAWSLYWSI-UHFFFAOYSA-N 0 0 235.674 2.338 10 0 BEAERN COCc1cc(N)c2c(F)ccc(C)c2n1 ZINC000051698511 174619649 /nfs/dbraw/zinc/61/96/49/174619649.db2.gz IBOQUSFJWSTSEN-UHFFFAOYSA-N 0 0 220.247 2.411 10 0 BEAERN COCc1cc(N)nc(-c2ccc(F)c(C)c2)n1 ZINC000051697344 174620145 /nfs/dbraw/zinc/62/01/45/174620145.db2.gz UVSAOJYLSFILTR-UHFFFAOYSA-N 0 0 247.273 2.320 10 0 BEAERN COCc1cccc(N[C@@H]2CCC[C@H]2O)c1 ZINC000049507834 174632961 /nfs/dbraw/zinc/63/29/61/174632961.db2.gz ZLIHBMGCKQXHRX-CHWSQXEVSA-N 0 0 221.300 2.158 10 0 BEAERN CON(C)c1ccc(N)cc1C(F)(F)F ZINC000037754645 174660485 /nfs/dbraw/zinc/66/04/85/174660485.db2.gz FCAQUYHDOHURMD-UHFFFAOYSA-N 0 0 220.194 2.285 10 0 BEAERN CO[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000054859857 174807152 /nfs/dbraw/zinc/80/71/52/174807152.db2.gz HMVNQZASMGYEPD-MFKMUULPSA-N 0 0 233.311 2.215 10 0 BEAERN CO[C@H](C)c1noc(-c2cc(C)ccc2O)n1 ZINC000093693516 174853820 /nfs/dbraw/zinc/85/38/20/174853820.db2.gz XFEITRSJBBVJBN-MRVPVSSYSA-N 0 0 234.255 2.458 10 0 BEAERN CO[C@H]1CCCC[C@H]1NCC(F)(F)F ZINC000037184537 174875628 /nfs/dbraw/zinc/87/56/28/174875628.db2.gz MGPRYZLINCZDHO-SFYZADRCSA-N 0 0 211.227 2.096 10 0 BEAERN COc1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1Cl ZINC000128253977 174948348 /nfs/dbraw/zinc/94/83/48/174948348.db2.gz CBAKTNRPSAERBS-GMSGAONNSA-N 0 0 239.702 2.487 10 0 BEAERN COc1cc(N)ccc1-c1ccccn1 ZINC000039117594 174996565 /nfs/dbraw/zinc/99/65/65/174996565.db2.gz WXQOYPSHACGEBA-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1cc(NCCc2ccccc2)nc(C)n1 ZINC000082482539 175002208 /nfs/dbraw/zinc/00/22/08/175002208.db2.gz QBCYWXQCYRCMKE-UHFFFAOYSA-N 0 0 243.310 2.448 10 0 BEAERN COc1cc(NCc2cncnc2)cc(OC)c1 ZINC000054766913 175003117 /nfs/dbraw/zinc/00/31/17/175003117.db2.gz BETHUSUSQWWCST-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1cc(OC(C)C)ncc1OC1CC1 ZINC000095729222 175006283 /nfs/dbraw/zinc/00/62/83/175006283.db2.gz NDDFBLXWAPQOKK-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1cc(OC)c([C@H](C)C(C)=O)c(OC)c1 ZINC000032233385 175008120 /nfs/dbraw/zinc/00/81/20/175008120.db2.gz PYDHRQFLYMIYEB-MRVPVSSYSA-N 0 0 238.283 2.405 10 0 BEAERN COc1cc(OC)c2c(c1)[C@H](O)CCCC2 ZINC000019727043 175009827 /nfs/dbraw/zinc/00/98/27/175009827.db2.gz WRJVZKUIMHXCBL-GFCCVEGCSA-N 0 0 222.284 2.464 10 0 BEAERN COc1cc(OC)cc(OCCCC(C)=O)c1 ZINC000037330862 175010399 /nfs/dbraw/zinc/01/03/99/175010399.db2.gz IBBAWZIOQIKYQZ-UHFFFAOYSA-N 0 0 238.283 2.452 10 0 BEAERN COc1cc2[nH]cc(Br)c2cn1 ZINC000044713127 175018636 /nfs/dbraw/zinc/01/86/36/175018636.db2.gz RSKVMFREGVZOSF-UHFFFAOYSA-N 0 0 227.061 2.334 10 0 BEAERN COc1cc2c(C=O)cn(C)c2cc1OC ZINC000058823880 175019080 /nfs/dbraw/zinc/01/90/80/175019080.db2.gz NRNMAHMOTPIIFL-UHFFFAOYSA-N 0 0 219.240 2.008 10 0 BEAERN COc1cc2c(c(OC)c1)C(C)(C)CN2 ZINC000082594264 175019341 /nfs/dbraw/zinc/01/93/41/175019341.db2.gz IDKRVKAPVBOFNR-UHFFFAOYSA-N 0 0 207.273 2.407 10 0 BEAERN COc1cc2c(cc1Br)NCC2 ZINC000082351144 175020548 /nfs/dbraw/zinc/02/05/48/175020548.db2.gz IOBJCYUSRRIDDZ-UHFFFAOYSA-N 0 0 228.089 2.426 10 0 BEAERN COc1cc2c(cc1OC)NC[C@@H](C)C2 ZINC000011633190 175024218 /nfs/dbraw/zinc/02/42/18/175024218.db2.gz XKQCIQMILLQZIL-QMMMGPOBSA-N 0 0 207.273 2.308 10 0 BEAERN COc1cc2c(cc1OC)C(C)=N[C@H](C)C2 ZINC000002570075 175024611 /nfs/dbraw/zinc/02/46/11/175024611.db2.gz ZOTQMAVJUAGCKD-MRVPVSSYSA-N 0 0 219.284 2.457 10 0 BEAERN COc1cc2sc(=O)[nH]c2cc1Cl ZINC000033884261 175028796 /nfs/dbraw/zinc/02/87/96/175028796.db2.gz HEIQAZAOOSKTDR-UHFFFAOYSA-N 0 0 215.661 2.252 10 0 BEAERN COc1ccc(-c2c(N)noc2C)cc1OC ZINC000082547369 175029870 /nfs/dbraw/zinc/02/98/70/175029870.db2.gz ZMYPYIBUVIOOHY-UHFFFAOYSA-N 0 0 234.255 2.249 10 0 BEAERN COc1ccc(-c2cc(C)nc(N)n2)cc1OC ZINC000052837852 175030925 /nfs/dbraw/zinc/03/09/25/175030925.db2.gz PAZLFKIJYYWIBG-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(-c2ccccn2)c(N)c1 ZINC000034188718 175035082 /nfs/dbraw/zinc/03/50/82/175035082.db2.gz SWMAKLDZAZLKPP-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1ccc(-c2cnc(N)s2)cc1OC ZINC000038068992 175036957 /nfs/dbraw/zinc/03/69/57/175036957.db2.gz TYJMBMKTXNSRAR-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COc1ccc(-c2nc(C(C)=O)c[nH]2)cc1OC ZINC000041297020 175038698 /nfs/dbraw/zinc/03/86/98/175038698.db2.gz OJLGTASZVFUGSG-UHFFFAOYSA-N 0 0 246.266 2.297 10 0 BEAERN COc1ccc(-c2nc(C)c(C)[nH]2)cc1N ZINC000042414858 175038790 /nfs/dbraw/zinc/03/87/90/175038790.db2.gz IHDVMOBNQAVWGZ-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN COc1ccc(-c2nc(C)cc(N)n2)cc1 ZINC000050845113 175038926 /nfs/dbraw/zinc/03/89/26/175038926.db2.gz NCRUDHHKQYUWOY-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccc(-c2nc3cc[nH]cc-3n2)cc1N ZINC000033966791 175041098 /nfs/dbraw/zinc/04/10/98/175041098.db2.gz UHQBKRVYLLQUHQ-UHFFFAOYSA-N 0 0 240.266 2.216 10 0 BEAERN COc1ccc(-c2nnc(Cl)o2)cc1OC ZINC000071550266 175042473 /nfs/dbraw/zinc/04/24/73/175042473.db2.gz JWLZQVIMJRUTQC-UHFFFAOYSA-N 0 0 240.646 2.407 10 0 BEAERN COc1ccc(-n2nc(C)c(N)c2C)cc1 ZINC000032013196 175044549 /nfs/dbraw/zinc/04/45/49/175044549.db2.gz KOFOGNFLHIDEQK-UHFFFAOYSA-N 0 0 217.272 2.080 10 0 BEAERN COc1ccc(/C=C(/C)[N+](=O)[O-])cc1O ZINC000042905488 175046232 /nfs/dbraw/zinc/04/62/32/175046232.db2.gz OPXFTPHZEPWGLN-ALCCZGGFSA-N 0 0 209.201 2.038 10 0 BEAERN COc1ccc(C(=O)C2CC2)c(OC)c1OC ZINC000036200526 175053102 /nfs/dbraw/zinc/05/31/02/175053102.db2.gz KOJVXRPALRCDKS-UHFFFAOYSA-N 0 0 236.267 2.305 10 0 BEAERN COc1ccc(C(=O)CN2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716367 175053425 /nfs/dbraw/zinc/05/34/25/175053425.db2.gz URXJGUIWBVVKQF-WCQYABFASA-N 0 0 245.322 2.362 10 0 BEAERN COc1ccc(C(=O)NCC2CCCC2)cc1N ZINC000037257385 175059545 /nfs/dbraw/zinc/05/95/45/175059545.db2.gz LFGDDYSZDLFPNE-UHFFFAOYSA-N 0 0 248.326 2.197 10 0 BEAERN COc1ccc(C(=O)NCCC(C)C)cc1N ZINC000019265637 175059704 /nfs/dbraw/zinc/05/97/04/175059704.db2.gz BTSPPNDPRNRYIW-UHFFFAOYSA-N 0 0 236.315 2.053 10 0 BEAERN COc1ccc(C)cc1CNc1cn[nH]c1 ZINC000036813764 175076205 /nfs/dbraw/zinc/07/62/05/175076205.db2.gz QNUSMJCMYJZXKS-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccc(C)cc1N[C@@H]1CCC[C@@H]1O ZINC000037689842 175078345 /nfs/dbraw/zinc/07/83/45/175078345.db2.gz MPMGDZIUWKOFGI-PWSUYJOCSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(C)cc1N[C@H]1CCC[C@H]1O ZINC000037689845 175078466 /nfs/dbraw/zinc/07/84/66/175078466.db2.gz MPMGDZIUWKOFGI-CMPLNLGQSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(C)nc1NCc1cc[nH]c1 ZINC000124584064 175083808 /nfs/dbraw/zinc/08/38/08/175083808.db2.gz IHNTWQUMGZGWNI-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccc(CC(=O)[C@H]2CCCOC2)cc1 ZINC000062236732 175087719 /nfs/dbraw/zinc/08/77/19/175087719.db2.gz BBSZYQYHRHVKFD-LBPRGKRZSA-N 0 0 234.295 2.233 10 0 BEAERN COc1ccc(CCNc2cnn(C)c2)cc1 ZINC000082712243 175092523 /nfs/dbraw/zinc/09/25/23/175092523.db2.gz QGLAAHSQYQWLKQ-UHFFFAOYSA-N 0 0 231.299 2.083 10 0 BEAERN COc1ccc(CO)cc1OCc1ccncc1 ZINC000020032363 175113539 /nfs/dbraw/zinc/11/35/39/175113539.db2.gz AOVWVKUWRXRNEW-UHFFFAOYSA-N 0 0 245.278 2.162 10 0 BEAERN COc1ccc(C[C@@](C)(O)C2CC2)cc1 ZINC000057494005 175116558 /nfs/dbraw/zinc/11/65/58/175116558.db2.gz BCFQXXZOYJOBJQ-CYBMUJFWSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccc(Cl)c2[nH]c(C)cc(=O)c12 ZINC000036075655 175118629 /nfs/dbraw/zinc/11/86/29/175118629.db2.gz WQKSTGUXOLWBPE-UHFFFAOYSA-N 0 0 223.659 2.499 10 0 BEAERN COc1ccc(Cl)c2ccc(CO)nc12 ZINC000057348653 175119642 /nfs/dbraw/zinc/11/96/42/175119642.db2.gz DQILNBGCGQCTPO-UHFFFAOYSA-N 0 0 223.659 2.389 10 0 BEAERN COc1ccc(Cl)cc1C(=O)N1CCCO1 ZINC000125460462 175119935 /nfs/dbraw/zinc/11/99/35/175119935.db2.gz SVEHYQOZOKFKHX-UHFFFAOYSA-N 0 0 241.674 2.126 10 0 BEAERN COc1ccc(Cl)c2nccc(N)c12 ZINC000036075612 175120036 /nfs/dbraw/zinc/12/00/36/175120036.db2.gz XZHNAXFYPMWXBW-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1ccc(Cl)cc1[C@H](C)CO ZINC000041210456 175123333 /nfs/dbraw/zinc/12/33/33/175123333.db2.gz HBKZDDHIKCSVBO-SSDOTTSWSA-N 0 0 200.665 2.444 10 0 BEAERN COc1ccc(F)c(C(=O)c2ccncc2)c1 ZINC000075870771 175124812 /nfs/dbraw/zinc/12/48/12/175124812.db2.gz HVXYFVCUKABCIB-UHFFFAOYSA-N 0 0 231.226 2.460 10 0 BEAERN COc1ccc(F)c(CO)c1Br ZINC000075844582 175125409 /nfs/dbraw/zinc/12/54/09/175125409.db2.gz ZGHWMPQURHQFDQ-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN COc1ccc(F)cc1[C@@H](N)c1ccco1 ZINC000035381474 175132678 /nfs/dbraw/zinc/13/26/78/175132678.db2.gz OSNTZQHIIKECDE-GFCCVEGCSA-N 0 0 221.231 2.475 10 0 BEAERN COc1ccc(N)cc1NC(=O)c1ccoc1 ZINC000022141414 175138928 /nfs/dbraw/zinc/13/89/28/175138928.db2.gz IJMNZXBAPQNGAM-UHFFFAOYSA-N 0 0 232.239 2.123 10 0 BEAERN COc1ccc(NC(=S)CC(C)=O)cc1 ZINC000073738881 175148445 /nfs/dbraw/zinc/14/84/45/175148445.db2.gz RUQXFGQEGXKEBA-UHFFFAOYSA-N 0 0 223.297 2.414 10 0 BEAERN COc1ccc(NC(=O)c2cnoc2C)cc1 ZINC000014179872 175148540 /nfs/dbraw/zinc/14/85/40/175148540.db2.gz OISVTXMBOKWYGY-UHFFFAOYSA-N 0 0 232.239 2.244 10 0 BEAERN COc1ccc(NCc2cncnc2)cc1OC ZINC000054766911 175152641 /nfs/dbraw/zinc/15/26/41/175152641.db2.gz WLPCWAKPQCQRNS-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1ccc(N[C@@H](C)C(=O)NC2CC2)cc1C ZINC000049530152 175153398 /nfs/dbraw/zinc/15/33/98/175153398.db2.gz KUFKGHRPOTWLOS-JTQLQIEISA-N 0 0 248.326 2.083 10 0 BEAERN COc1ccc(N[C@H](CC(C)C)C(N)=O)cc1 ZINC000037941488 175155339 /nfs/dbraw/zinc/15/53/39/175155339.db2.gz JIRMVDJBAHCWOQ-GFCCVEGCSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccc(OC)c(NC2=NCCC2)c1 ZINC000003866626 175167481 /nfs/dbraw/zinc/16/74/81/175167481.db2.gz WMVBXCHWDPIRTP-UHFFFAOYSA-N 0 0 220.272 2.308 10 0 BEAERN COc1ccc(OC)c([C@@H](O)C(C)C)c1 ZINC000032012373 175168258 /nfs/dbraw/zinc/16/82/58/175168258.db2.gz QEUSADCXJYHFBM-LBPRGKRZSA-N 0 0 210.273 2.393 10 0 BEAERN COc1ccc(OC)c([C@H](N)c2ccccn2)c1 ZINC000011832325 175168812 /nfs/dbraw/zinc/16/88/12/175168812.db2.gz VIQQTJYIZRMAFC-AWEZNQCLSA-N 0 0 244.294 2.147 10 0 BEAERN COc1ccc(OC)c2c1CCC(=O)[C@@H]2C ZINC000037631688 175170438 /nfs/dbraw/zinc/17/04/38/175170438.db2.gz OUXXOKZZVZVTIR-QMMMGPOBSA-N 0 0 220.268 2.323 10 0 BEAERN COc1ccc(Oc2ccccn2)c(N)c1 ZINC000037408446 175173997 /nfs/dbraw/zinc/17/39/97/175173997.db2.gz AHPBVUNIJONTRS-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccc([C@@H](C)N2CCC(=O)CC2)cc1 ZINC000019728828 175176428 /nfs/dbraw/zinc/17/64/28/175176428.db2.gz OSVMGBWJDTYHNU-LLVKDONJSA-N 0 0 233.311 2.421 10 0 BEAERN COc1ccc([C@@H](C)NCc2cn[nH]c2)c(F)c1 ZINC000038006313 175176646 /nfs/dbraw/zinc/17/66/46/175176646.db2.gz PYWQHLZTZQMFHX-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN COc1ccc([C@@H](N)C(F)(F)F)c(F)c1 ZINC000037504475 175179135 /nfs/dbraw/zinc/17/91/35/175179135.db2.gz JSOLLWSARAHHLY-MRVPVSSYSA-N 0 0 223.169 2.396 10 0 BEAERN COc1ccc([C@@H](O)c2cncc(F)c2)cc1 ZINC000049577008 175181667 /nfs/dbraw/zinc/18/16/67/175181667.db2.gz PXUFXGKPQBWUBU-CYBMUJFWSA-N 0 0 233.242 2.311 10 0 BEAERN COc1ccc([C@@H]2CC[C@H](O)C2)cc1OC ZINC000057514784 175183584 /nfs/dbraw/zinc/18/35/84/175183584.db2.gz WTZGNIGPACXIPN-KOLCDFICSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc([C@@H]2OCOC[C@@H]2C)cc1 ZINC000001599429 175186038 /nfs/dbraw/zinc/18/60/38/175186038.db2.gz ZHEZIDHIKDDZLJ-JOYOIKCWSA-N 0 0 208.257 2.377 10 0 BEAERN COc1ccc([C@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324351 175191681 /nfs/dbraw/zinc/19/16/81/175191681.db2.gz OQODIHGTHSRRNO-GFCCVEGCSA-N 0 0 237.299 2.340 10 0 BEAERN COc1ccc([C@H](O)C(C)C)c(OC)c1OC ZINC000041066665 175193052 /nfs/dbraw/zinc/19/30/52/175193052.db2.gz XQWVERJYYKSIRL-LLVKDONJSA-N 0 0 240.299 2.402 10 0 BEAERN COc1ccc2[nH]cc(C(F)(F)CN)c2c1 ZINC000097758229 175201629 /nfs/dbraw/zinc/20/16/29/175201629.db2.gz RUSUXWMUDZCCJT-UHFFFAOYSA-N 0 0 226.226 2.227 10 0 BEAERN COc1ccc2c(c1)[nH]c1c(c2=O)CCCC1 ZINC000072109667 175202930 /nfs/dbraw/zinc/20/29/30/175202930.db2.gz LSVXWLDSOHBOOX-UHFFFAOYSA-N 0 0 229.279 2.416 10 0 BEAERN COc1ccc2c(Cl)ccc(N)c2n1 ZINC000261508509 175204567 /nfs/dbraw/zinc/20/45/67/175204567.db2.gz UBSGYKOTERKYKI-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1ccc2c(c1)[C@@H](O)[C@H](n1ccnc1)CC2 ZINC000027327116 175214213 /nfs/dbraw/zinc/21/42/13/175214213.db2.gz VVFFIGADLXLSFZ-ZIAGYGMSSA-N 0 0 244.294 2.113 10 0 BEAERN COc1ccc2c(c1C)OC(=O)C[C@@H]2C ZINC000021995755 175220279 /nfs/dbraw/zinc/22/02/79/175220279.db2.gz CYRDPRKCGBJNQT-ZETCQYMHSA-N 0 0 206.241 2.416 10 0 BEAERN COc1ccc2c(c1O)CCCCC2=O ZINC000096029030 175221127 /nfs/dbraw/zinc/22/11/27/175221127.db2.gz BQAVSGOVTWGJRW-UHFFFAOYSA-N 0 0 206.241 2.310 10 0 BEAERN COc1ccc2cc(=O)[nH]c(SC)c2c1 ZINC000082289471 175223799 /nfs/dbraw/zinc/22/37/99/175223799.db2.gz HRWMHAIPTYBLPD-UHFFFAOYSA-N 0 0 221.281 2.259 10 0 BEAERN COc1ccc2cc(=O)[nH]c(C)c2c1OC ZINC000028767386 175224474 /nfs/dbraw/zinc/22/44/74/175224474.db2.gz FZAUOKVGLRPQRJ-UHFFFAOYSA-N 0 0 219.240 2.266 10 0 BEAERN COc1ccc2ccccc2c1C(N)=S ZINC000005592430 175225512 /nfs/dbraw/zinc/22/55/12/175225512.db2.gz HQMVXRFFYCFIDC-UHFFFAOYSA-N 0 0 217.293 2.483 10 0 BEAERN COc1ccc2cccc([C@H]3CNC(=O)C3)c2c1 ZINC000013781785 175225793 /nfs/dbraw/zinc/22/57/93/175225793.db2.gz CLLSLXZFUZRTBA-LLVKDONJSA-N 0 0 241.290 2.452 10 0 BEAERN COc1ccc2c[nH]nc2c1Br ZINC000089157336 175226356 /nfs/dbraw/zinc/22/63/56/175226356.db2.gz CDNNAGDQXPYXMO-UHFFFAOYSA-N 0 0 227.061 2.334 10 0 BEAERN COc1ccc2occ(CCNC(C)=O)c2c1 ZINC000013474338 175232194 /nfs/dbraw/zinc/23/21/94/175232194.db2.gz BTVRPXLAXZPZPV-UHFFFAOYSA-N 0 0 233.267 2.120 10 0 in-vivo BEAERN COc1cccc(-c2ccc(CO)o2)c1 ZINC000049812808 175234540 /nfs/dbraw/zinc/23/45/40/175234540.db2.gz IWHQCKIIOMTZBP-UHFFFAOYSA-N 0 0 204.225 2.448 10 0 BEAERN COc1cccc(-c2ncsc2N)c1 ZINC000050307982 175237792 /nfs/dbraw/zinc/23/77/92/175237792.db2.gz WWGZYHMKZAJSLC-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1cccc(C(=O)CN2CCCCC2)c1 ZINC000034981340 175242211 /nfs/dbraw/zinc/24/22/11/175242211.db2.gz GWRFLDORCDNKEZ-UHFFFAOYSA-N 0 0 233.311 2.364 10 0 BEAERN COc1cccc(CCC(=O)N[C@H]2C[C@H]2C)c1 ZINC000075521931 175250489 /nfs/dbraw/zinc/25/04/89/175250489.db2.gz LANAQQFWHFQUFK-MFKMUULPSA-N 0 0 233.311 2.152 10 0 BEAERN COc1cccc(CN[C@@H](C)c2cc[nH]n2)c1 ZINC000037908335 175266481 /nfs/dbraw/zinc/26/64/81/175266481.db2.gz LAHKCJOBQOCRCF-JTQLQIEISA-N 0 0 231.299 2.269 10 0 BEAERN COc1cccc(CNc2ccc(CO)cc2)n1 ZINC000083372667 175268926 /nfs/dbraw/zinc/26/89/26/175268926.db2.gz USMIMCRBOMSJCQ-UHFFFAOYSA-N 0 0 244.294 2.195 10 0 BEAERN COc1cccc(CNc2cn[nH]c2)c1 ZINC000035764077 175269013 /nfs/dbraw/zinc/26/90/13/175269013.db2.gz JRFZGOIHZOWCEW-UHFFFAOYSA-N 0 0 203.245 2.030 10 0 BEAERN COc1cccc(COc2ccc(N)cn2)c1 ZINC000019423600 175269739 /nfs/dbraw/zinc/26/97/39/175269739.db2.gz SFUHNNYDXHEOHO-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1cccc(Cc2nc(CCO)cs2)c1 ZINC000049837127 175272568 /nfs/dbraw/zinc/27/25/68/175272568.db2.gz ZLTUDJGONLUINL-UHFFFAOYSA-N 0 0 249.335 2.277 10 0 BEAERN COc1cccc(Cn2ncc(Cl)c2N)c1 ZINC000043665172 175273812 /nfs/dbraw/zinc/27/38/12/175273812.db2.gz WMGZQXICRXWKLN-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN COc1cccc(N(C)c2ncccc2CO)c1 ZINC000049971054 175275314 /nfs/dbraw/zinc/27/53/14/175275314.db2.gz XGSNGLHZMYDTSN-UHFFFAOYSA-N 0 0 244.294 2.350 10 0 BEAERN COc1cccc(NC(=O)Cn2cccc2)c1 ZINC000020377270 175276365 /nfs/dbraw/zinc/27/63/65/175276365.db2.gz FDTHXIWQPOTXHC-UHFFFAOYSA-N 0 0 230.267 2.135 10 0 BEAERN COc1cccc(NC2(C(N)=O)CCCCC2)c1 ZINC000037944592 175278133 /nfs/dbraw/zinc/27/81/33/175278133.db2.gz OMQQBYJPSYWYPX-UHFFFAOYSA-N 0 0 248.326 2.295 10 0 BEAERN COc1cccc(NCc2cnn(C)c2C)c1 ZINC000002536194 175278716 /nfs/dbraw/zinc/27/87/16/175278716.db2.gz NGWCJLLNKRZOKX-UHFFFAOYSA-N 0 0 231.299 2.349 10 0 BEAERN COc1cccc(N[C@H]2CCC[C@H]2O)c1 ZINC000037689957 175280149 /nfs/dbraw/zinc/28/01/49/175280149.db2.gz UKSQVZQOJMECGH-NWDGAFQWSA-N 0 0 207.273 2.021 10 0 BEAERN COc1cccc(N[C@@H]2CCCC[C@@H]2O)c1 ZINC000037691289 175280178 /nfs/dbraw/zinc/28/01/78/175280178.db2.gz OVTBENIXXOONJI-OLZOCXBDSA-N 0 0 221.300 2.411 10 0 BEAERN COc1cccc(Nc2c(N)c(C)nn2C)c1 ZINC000036749212 175281017 /nfs/dbraw/zinc/28/10/17/175281017.db2.gz LSEXYKGDDFGHMZ-UHFFFAOYSA-N 0 0 232.287 2.063 10 0 BEAERN COc1cccc(OC)c1Oc1ncccc1N ZINC000022169176 175282765 /nfs/dbraw/zinc/28/27/65/175282765.db2.gz JIXXMHATPJAGBC-UHFFFAOYSA-N 0 0 246.266 2.473 10 0 BEAERN COc1cccc(OCc2ccc(CO)o2)c1 ZINC000041262319 175284071 /nfs/dbraw/zinc/28/40/71/175284071.db2.gz CBLYXLQPTGUWLB-UHFFFAOYSA-N 0 0 234.251 2.360 10 0 BEAERN COc1cccc([C@H](N)c2nccs2)c1 ZINC000019930900 175295269 /nfs/dbraw/zinc/29/52/69/175295269.db2.gz FLWUSEWTZABOEI-JTQLQIEISA-N 0 0 220.297 2.200 10 0 BEAERN COc1cccc([C@H](O)c2ccncc2)c1 ZINC000035956365 175296024 /nfs/dbraw/zinc/29/60/24/175296024.db2.gz NQSVTSGCCQLKHQ-CYBMUJFWSA-N 0 0 215.252 2.172 10 0 BEAERN COc1cccc([C@H]2C[C@H]2C(=O)NCC2CC2)c1 ZINC000106735954 175296993 /nfs/dbraw/zinc/29/69/93/175296993.db2.gz LMDIPPOYLGGMHO-ZIAGYGMSSA-N 0 0 245.322 2.325 10 0 BEAERN COc1cccc2c(N)c(Cl)cnc12 ZINC000041702214 175300124 /nfs/dbraw/zinc/30/01/24/175300124.db2.gz XWPBDHGWSXNUCK-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1cccc2c1cc(C(=O)NC(C)C)n2C ZINC000040788517 175306293 /nfs/dbraw/zinc/30/62/93/175306293.db2.gz ZZCQUVICTHCKJC-UHFFFAOYSA-N 0 0 246.310 2.325 10 0 BEAERN COc1cccc2c3c(cnc12)c(C)nn3C ZINC000085346501 175306841 /nfs/dbraw/zinc/30/68/41/175306841.db2.gz LURYAOHOGLDLIL-UHFFFAOYSA-N 0 0 227.267 2.439 10 0 BEAERN COc1cccc2sc(N(O)C=N)nc21 ZINC000045236103 175308369 /nfs/dbraw/zinc/30/83/69/175308369.db2.gz HVMLOMMSQJNLDI-UHFFFAOYSA-N 0 0 223.257 2.108 10 0 BEAERN COc1ccccc1CC(=O)N[C@H](C)C(C)C ZINC000057160056 175321883 /nfs/dbraw/zinc/32/18/83/175321883.db2.gz DAATXLJXTHOFAF-LLVKDONJSA-N 0 0 235.327 2.398 10 0 BEAERN COc1ccccc1CNC(F)(F)F ZINC000095076250 175329381 /nfs/dbraw/zinc/32/93/81/175329381.db2.gz GHSXOKZENKKUGO-UHFFFAOYSA-N 0 0 205.179 2.305 10 0 BEAERN COc1ccccc1C[C@@](C)(O)C1CC1 ZINC000043457615 175332434 /nfs/dbraw/zinc/33/24/34/175332434.db2.gz PIVJIEPCNBDRKI-CYBMUJFWSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccccc1C[C@@H](C)Nc1cnn(C)c1 ZINC000037259932 175332719 /nfs/dbraw/zinc/33/27/19/175332719.db2.gz WQTQVTVVOYZWGA-LLVKDONJSA-N 0 0 245.326 2.472 10 0 BEAERN COc1ccccc1C[C@@H](O)Cc1ccncc1 ZINC000053134536 175332908 /nfs/dbraw/zinc/33/29/08/175332908.db2.gz WPXOAHDRVAQHIS-AWEZNQCLSA-N 0 0 243.306 2.236 10 0 BEAERN COc1ccccc1C[C@H](O)Cc1ccncc1 ZINC000053134532 175334271 /nfs/dbraw/zinc/33/42/71/175334271.db2.gz WPXOAHDRVAQHIS-CQSZACIVSA-N 0 0 243.306 2.236 10 0 BEAERN COc1ccccc1Cn1ncc(Cl)c1N ZINC000043665183 175334661 /nfs/dbraw/zinc/33/46/61/175334661.db2.gz FGLPJYICTNLCNW-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN COc1ccccc1N[C@@H]1CCCC[C@H]1O ZINC000037690996 175338736 /nfs/dbraw/zinc/33/87/36/175338736.db2.gz BEQQXECCUXTFMR-ZYHUDNBSSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccccc1N[C@@H]1CCC[C@H]1O ZINC000037689656 175338873 /nfs/dbraw/zinc/33/88/73/175338873.db2.gz ITFIJCOSOKPITF-MWLCHTKSSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccccc1N[C@@H](C)C(=O)NC(C)C ZINC000006968030 175339149 /nfs/dbraw/zinc/33/91/49/175339149.db2.gz UCSGUDCQRHLPMB-JTQLQIEISA-N 0 0 236.315 2.020 10 0 BEAERN COc1ccccc1NCc1nccn1C ZINC000036804439 175339270 /nfs/dbraw/zinc/33/92/70/175339270.db2.gz NKJKCDBVJMVDCS-UHFFFAOYSA-N 0 0 217.272 2.041 10 0 BEAERN COc1ccccc1[C@@H](C)NCc1nc(C)no1 ZINC000037980621 175346595 /nfs/dbraw/zinc/34/65/95/175346595.db2.gz FENOLQAJSIVUAE-SECBINFHSA-N 0 0 247.298 2.237 10 0 BEAERN COc1ccccc1[C@@H](O)c1cncc(F)c1 ZINC000049577010 175347283 /nfs/dbraw/zinc/34/72/83/175347283.db2.gz UUMCHUYSVVSHFL-ZDUSSCGKSA-N 0 0 233.242 2.311 10 0 BEAERN COc1ccccc1[C@@H]1NCCn2cccc21 ZINC000031889908 175350346 /nfs/dbraw/zinc/35/03/46/175350346.db2.gz HAXUYGNZMKJJMM-AWEZNQCLSA-N 0 0 228.295 2.189 10 0 BEAERN COc1ccccc1[C@H](C(=O)[O-])[N@H+](C)CC1CC1 ZINC000077427143 175350970 /nfs/dbraw/zinc/35/09/70/175350970.db2.gz OUHNWZWCXDAFMM-CYBMUJFWSA-N 0 0 249.310 2.163 10 0 BEAERN COc1cccn2c(N)c(-c3ccoc3)nc12 ZINC000104361808 175356123 /nfs/dbraw/zinc/35/61/23/175356123.db2.gz AKROZWSEHKPURM-UHFFFAOYSA-N 0 0 229.239 2.185 10 0 BEAERN COc1ccccc1[C@]1(C)CCC(=O)O1 ZINC000035077316 175356276 /nfs/dbraw/zinc/35/62/76/175356276.db2.gz UUNUPFMMCDKUNV-LBPRGKRZSA-N 0 0 206.241 2.247 10 0 BEAERN COc1ccnc(NCC2CCCCC2)n1 ZINC000105133675 175364227 /nfs/dbraw/zinc/36/42/27/175364227.db2.gz XYQMTLUTQIZSAV-UHFFFAOYSA-N 0 0 221.304 2.477 10 0 BEAERN COc1ccnc(SC)c1OC1CC1 ZINC000095729955 175368924 /nfs/dbraw/zinc/36/89/24/175368924.db2.gz MTCHPUKLRDAUIP-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cnc(-c2cnccn2)c2[nH]ccc21 ZINC000089213110 175380770 /nfs/dbraw/zinc/38/07/70/175380770.db2.gz VUZFWWURENSAGY-UHFFFAOYSA-N 0 0 226.239 2.029 10 0 BEAERN COc1nc(-c2ccccc2)nc(Cl)c1N ZINC000002701438 175388645 /nfs/dbraw/zinc/38/86/45/175388645.db2.gz PVMYQEIZDZTWNH-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN COc1nc(NCC(C)(C)C)ccc1N ZINC000040494625 175395417 /nfs/dbraw/zinc/39/54/17/175395417.db2.gz UEXLSJRUCKWEPA-UHFFFAOYSA-N 0 0 209.293 2.130 10 0 BEAERN COc1nc(N[C@@H](C)C(C)C)ccc1N ZINC000037067169 175396137 /nfs/dbraw/zinc/39/61/37/175396137.db2.gz TZQXXERMPUUMSA-QMMMGPOBSA-N 0 0 209.293 2.129 10 0 BEAERN COc1nc2ccc(Cl)cc2nc1OC ZINC000005356835 175396734 /nfs/dbraw/zinc/39/67/34/175396734.db2.gz XOEWJZQGSLXXGK-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN COc1ncc(N)cc1-c1ccccc1 ZINC000047207238 175399976 /nfs/dbraw/zinc/39/99/76/175399976.db2.gz CIOLWKPMLHJNBY-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN CS(=O)(=O)/C=C/c1cncc2ccccc12 ZINC000090556696 175418433 /nfs/dbraw/zinc/41/84/33/175418433.db2.gz TVOKCVSHBSVLTF-VOTSOKGWSA-N 0 0 233.292 2.250 10 0 BEAERN CSCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000048322636 175460599 /nfs/dbraw/zinc/46/05/99/175460599.db2.gz ADFYVKPQEIVLNF-MRVPVSSYSA-N 0 0 249.339 2.103 10 0 BEAERN CSc1cc(OC2CC2)cc(C=O)n1 ZINC000095732749 175572962 /nfs/dbraw/zinc/57/29/62/175572962.db2.gz LFWKGULMDPBXJB-UHFFFAOYSA-N 0 0 209.270 2.157 10 0 BEAERN CSc1ccnc(C=O)c1OC1CC1 ZINC000095732358 175584815 /nfs/dbraw/zinc/58/48/15/175584815.db2.gz HKDHMRNGRYNUGC-UHFFFAOYSA-N 0 0 209.270 2.157 10 0 BEAERN C[C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](CCO)C1 ZINC000357147218 175647972 /nfs/dbraw/zinc/64/79/72/175647972.db2.gz NSOUQJDTWCSCBW-RYUDHWBXSA-N 0 0 241.375 2.290 10 0 BEAERN C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1N ZINC000035600430 175758526 /nfs/dbraw/zinc/75/85/26/175758526.db2.gz KGFZOHDBMKSTFQ-LURJTMIESA-N 0 0 234.221 2.080 10 0 BEAERN C[C@@H](CO)[C@@H](C)Nc1ccncc1Cl ZINC000129611764 175762421 /nfs/dbraw/zinc/76/24/21/175762421.db2.gz HHCDLYCCAYLMRC-JGVFFNPUSA-N 0 0 214.696 2.164 10 0 BEAERN C[C@@H](CSc1nc(N)n[nH]1)c1ccccc1 ZINC000116610092 175765173 /nfs/dbraw/zinc/76/51/73/175765173.db2.gz PWDTYOSPACBEKL-QMMMGPOBSA-N 0 0 234.328 2.283 10 0 BEAERN C[C@@H](NC(=O)C(C1CC1)C1CC1)[C@H]1CCCO1 ZINC000122309751 175824404 /nfs/dbraw/zinc/82/44/04/175824404.db2.gz UTPQVMBSCZTVRQ-BXKDBHETSA-N 0 0 237.343 2.106 10 0 BEAERN C[C@@H](NCc1csc(Cl)n1)[C@@H]1CCCO1 ZINC000290035986 175907435 /nfs/dbraw/zinc/90/74/35/175907435.db2.gz NRSJPBBAEPGAFL-APPZFPTMSA-N 0 0 246.763 2.454 10 0 BEAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)C(N)=O ZINC000020307899 175929319 /nfs/dbraw/zinc/92/93/19/175929319.db2.gz KMTXTCWARDTBHL-RXMQYKEDSA-N 0 0 233.098 2.279 10 0 BEAERN C[C@@H](Nc1cnccn1)c1cccc(N)c1 ZINC000037673061 175935873 /nfs/dbraw/zinc/93/58/73/175935873.db2.gz ONEXZQGUSPIFLZ-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](Nc1ncc(N)cn1)c1ccccc1 ZINC000040455252 175937271 /nfs/dbraw/zinc/93/72/71/175937271.db2.gz RAYNTIIGLCUGKX-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](O)Cc1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000082430560 175990671 /nfs/dbraw/zinc/99/06/71/175990671.db2.gz JLFNCYIBVWVQEI-OPRDCNLKSA-N 0 0 224.304 2.287 10 0 BEAERN C[C@@H](O)c1cccc(OCc2nccn2C)c1 ZINC000035627535 175999486 /nfs/dbraw/zinc/99/94/86/175999486.db2.gz UNYLCGZDEIDZGN-SNVBAGLBSA-N 0 0 232.283 2.052 10 0 BEAERN C[C@@H](O)c1ccccc1OCCn1cccn1 ZINC000049325577 175999959 /nfs/dbraw/zinc/99/99/59/175999959.db2.gz UJVYTVCBBUBMJY-LLVKDONJSA-N 0 0 232.283 2.015 10 0 BEAERN C[C@@H](O)c1ccccc1OCc1cnn(C)c1 ZINC000035626920 176000067 /nfs/dbraw/zinc/00/00/67/176000067.db2.gz CPBAWODWDLJPAZ-SNVBAGLBSA-N 0 0 232.283 2.052 10 0 BEAERN C[C@@H](O)c1cnn(-c2ccccc2)c1F ZINC000238856815 176000371 /nfs/dbraw/zinc/00/03/71/176000371.db2.gz XDBAGCDAHQMUHN-MRVPVSSYSA-N 0 0 206.220 2.065 10 0 BEAERN C[C@@H](Oc1ccc(Cl)cc1)C(N)=S ZINC000041228724 176004067 /nfs/dbraw/zinc/00/40/67/176004067.db2.gz YICVHOYYVJWGIL-ZCFIWIBFSA-N 0 0 215.705 2.393 10 0 BEAERN C[C@@H]([C@@H]1CCCO1)n1c(N)nc2c1cccc2F ZINC000037421503 176012449 /nfs/dbraw/zinc/01/24/49/176012449.db2.gz VMOQBASQKFOOPV-KWQFWETISA-N 0 0 249.289 2.498 10 0 BEAERN C[C@@H](c1cccc(N)c1)N1CCCOC1=O ZINC000041054545 176017770 /nfs/dbraw/zinc/01/77/70/176017770.db2.gz UGDLGHHIDBDIIR-VIFPVBQESA-N 0 0 220.272 2.172 10 0 BEAERN C[C@@H](c1cccs1)N1CCC(=O)CC1 ZINC000019728807 176033870 /nfs/dbraw/zinc/03/38/70/176033870.db2.gz AIUMAFSYHOIYID-VIFPVBQESA-N 0 0 209.314 2.474 10 0 BEAERN C[C@@H](c1cccs1)N(C)c1ncc(N)cn1 ZINC000049727179 176034199 /nfs/dbraw/zinc/03/41/99/176034199.db2.gz KWBLPKBWLXWRIK-QMMMGPOBSA-N 0 0 234.328 2.318 10 0 BEAERN C[C@@H](c1cnn(C)c1)N(C)c1cccc(F)n1 ZINC000302682029 176037156 /nfs/dbraw/zinc/03/71/56/176037156.db2.gz SGBMLQVUYZXXEF-VIFPVBQESA-N 0 0 234.278 2.152 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@@](C(=O)[O-])([NH+](C)C)C1 ZINC000037358071 176051975 /nfs/dbraw/zinc/05/19/75/176051975.db2.gz VTBYZJYSHSWJDU-SKDRFNHKSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1CCCCN1C(=O)c1cc(N)ccc1F ZINC000035651225 176069086 /nfs/dbraw/zinc/06/90/86/176069086.db2.gz ANIMZCKWEMHMQT-SECBINFHSA-N 0 0 236.290 2.423 10 0 BEAERN C[C@@H]1CCCC[C@@H]1N(C)Cc1nnsc1N ZINC000050816842 176078908 /nfs/dbraw/zinc/07/89/08/176078908.db2.gz MVSYBFUBZOAUBP-SCZZXKLOSA-N 0 0 240.376 2.131 10 0 BEAERN C[C@@H]1CCCN(C(=O)CCc2cccc(N)c2)C1 ZINC000020187064 176092208 /nfs/dbraw/zinc/09/22/08/176092208.db2.gz QCLOGJAOAINVGR-GFCCVEGCSA-N 0 0 246.354 2.460 10 0 BEAERN C[C@@H]1CCCN1C(=O)CCc1cccc(N)c1 ZINC000037912479 176104712 /nfs/dbraw/zinc/10/47/12/176104712.db2.gz WACSBQMCHSHNIQ-LLVKDONJSA-N 0 0 232.327 2.212 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cc(F)ccc1N ZINC000037909665 176106169 /nfs/dbraw/zinc/10/61/69/176106169.db2.gz QKNNQUMGGPORRA-MRVPVSSYSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@@H]1CCCN1c1nc2ccccn2c1C=O ZINC000037911284 176111681 /nfs/dbraw/zinc/11/16/81/176111681.db2.gz IQNBFOIPFGPXOG-SNVBAGLBSA-N 0 0 229.283 2.136 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC000119604510 176122003 /nfs/dbraw/zinc/12/20/03/176122003.db2.gz MTNUCKHGYRRCGP-VXGBXAGGSA-N 0 0 249.358 2.048 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000336328240 176125803 /nfs/dbraw/zinc/12/58/03/176125803.db2.gz CJSVQCNKOSMTII-NEPJUHHUSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCc2n[nH]cc21 ZINC000336426715 176126312 /nfs/dbraw/zinc/12/63/12/176126312.db2.gz AKDHLYSOALJPLC-ZJUUUORDSA-N 0 0 233.315 2.125 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000300286349 176126632 /nfs/dbraw/zinc/12/66/32/176126632.db2.gz MPXDSSRIEKSIBY-VOAKCMCISA-N 0 0 239.359 2.232 10 0 BEAERN C[C@@H]1CCC[C@@H]1Nc1ccc(C(N)=O)cc1 ZINC000083389658 176132779 /nfs/dbraw/zinc/13/27/79/176132779.db2.gz PLRGWIXWKZOFHU-SKDRFNHKSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@](C)(O)CC1 ZINC000300306318 176146638 /nfs/dbraw/zinc/14/66/38/176146638.db2.gz FNJCPICNNROQQO-BZPMIXESSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@H](c2nc3c(c(=O)[nH]2)CCCN3)C1 ZINC000104381779 176147075 /nfs/dbraw/zinc/14/70/75/176147075.db2.gz YDTINCSAYLXQJS-ZJUUUORDSA-N 0 0 247.342 2.422 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000336678342 176147099 /nfs/dbraw/zinc/14/70/99/176147099.db2.gz AMYIGNOKBRGJKJ-UTUOFQBUSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)C1CCCC1 ZINC000359616889 176147291 /nfs/dbraw/zinc/14/72/91/176147291.db2.gz DOQSBBVXYULIAV-RAIGVLPGSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)C1CCCC1 ZINC000359616891 176147697 /nfs/dbraw/zinc/14/76/97/176147697.db2.gz DOQSBBVXYULIAV-RTXFEEFZSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H]1Nc1ccc(C(N)=O)cc1 ZINC000083389660 176151461 /nfs/dbraw/zinc/15/14/61/176151461.db2.gz PLRGWIXWKZOFHU-BXKDBHETSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@@H]1CCC[C@H]1n1nnnc1-c1ccc(N)cc1 ZINC000071209151 176151622 /nfs/dbraw/zinc/15/16/22/176151622.db2.gz LYBLWHJXVZFIPU-BXKDBHETSA-N 0 0 243.314 2.283 10 0 BEAERN C[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000263768792 176158810 /nfs/dbraw/zinc/15/88/10/176158810.db2.gz STFKVWOEOGXGAS-PWSUYJOCSA-N 0 0 246.310 2.172 10 0 BEAERN C[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000263768794 176159301 /nfs/dbraw/zinc/15/93/01/176159301.db2.gz STFKVWOEOGXGAS-ZYHUDNBSSA-N 0 0 246.310 2.172 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCn3ccnc32)[C@@H]1C ZINC000178153473 176160828 /nfs/dbraw/zinc/16/08/28/176160828.db2.gz OVPULGGFTWQNDX-IJLUTSLNSA-N 0 0 247.342 2.017 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2)O1 ZINC000121739686 176196991 /nfs/dbraw/zinc/19/69/91/176196991.db2.gz NFADBRRMHIDORC-KCJUWKMLSA-N 0 0 223.247 2.332 10 0 BEAERN C[C@@H]1CC[C@H](NS(C)(=O)=O)c2ccccc21 ZINC000162306865 176233625 /nfs/dbraw/zinc/23/36/25/176233625.db2.gz ZZAAWGHIJSQRMN-SKDRFNHKSA-N 0 0 239.340 2.174 10 0 BEAERN C[C@@H]1CC[C@H](c2nc(-c3ccsn3)no2)O1 ZINC000333742189 176235525 /nfs/dbraw/zinc/23/55/25/176235525.db2.gz WAKQWPMRKZMYNF-HTRCEHHLSA-N 0 0 237.284 2.433 10 0 BEAERN C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H](C)O1 ZINC000336231392 176242165 /nfs/dbraw/zinc/24/21/65/176242165.db2.gz BFFNBBRWDLGOGD-GHMZBOCLSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@@H]1CN(C(=O)C2=CCCCC2)C[C@@H](C)O1 ZINC000336468606 176242834 /nfs/dbraw/zinc/24/28/34/176242834.db2.gz XZLABYDEQUDUMM-GHMZBOCLSA-N 0 0 223.316 2.123 10 0 BEAERN C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@@H](C)O1 ZINC000192392377 176264205 /nfs/dbraw/zinc/26/42/05/176264205.db2.gz VDGSKCHZEMDMLT-HTQZYQBOSA-N 0 0 243.690 2.182 10 0 BEAERN C[C@@H]1CN(Cc2cc(Br)no2)[C@@H]1C ZINC000293001719 176301372 /nfs/dbraw/zinc/30/13/72/176301372.db2.gz NCKPVTNFUZGPHD-RNFRBKRXSA-N 0 0 245.120 2.277 10 0 BEAERN C[C@@H]1CN(Cc2cc(N)ccc2Cl)CCO1 ZINC000037403000 176301748 /nfs/dbraw/zinc/30/17/48/176301748.db2.gz WGUIAISUPKENAA-SECBINFHSA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1CN(c2ccc(N)cc2F)CCCO1 ZINC000061916756 176318928 /nfs/dbraw/zinc/31/89/28/176318928.db2.gz XWGVQYFCWMYXMX-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCF ZINC000367211691 176323461 /nfs/dbraw/zinc/32/34/61/176323461.db2.gz MJRBMBDYQXSWDF-CHWSQXEVSA-N 0 0 228.355 2.295 10 0 BEAERN C[C@@H]1COCCN1Cc1ccc2c(c1)CCCN2 ZINC000035776828 176336897 /nfs/dbraw/zinc/33/68/97/176336897.db2.gz IXQLOFURIDBHHM-GFCCVEGCSA-N 0 0 246.354 2.265 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1cccc(F)c1 ZINC000075527921 176398761 /nfs/dbraw/zinc/39/87/61/176398761.db2.gz LHIALLSMVSGJIF-PBXKEAHJSA-N 0 0 219.259 2.364 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000075528124 176399188 /nfs/dbraw/zinc/39/91/88/176399188.db2.gz HDLFHAUDHKFKMK-KCJUWKMLSA-N 0 0 223.703 2.407 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)CCc1ccc(F)cc1F ZINC000123377721 176441829 /nfs/dbraw/zinc/44/18/29/176441829.db2.gz BKZIGRIZPMLNGT-PRHODGIISA-N 0 0 239.265 2.422 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccsc1 ZINC000188706832 176463477 /nfs/dbraw/zinc/46/34/77/176463477.db2.gz MSAQMNDKYSGAEM-ONGXEEELSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@@]1(CC(=O)c2ccncc2)CCCC1=O ZINC000090658186 176528887 /nfs/dbraw/zinc/52/88/87/176528887.db2.gz LYWRBGBKBUAYAV-ZDUSSCGKSA-N 0 0 217.268 2.414 10 0 BEAERN C[C@@]1(Cc2ccccc2)CCCNC1=O ZINC000013760775 176534567 /nfs/dbraw/zinc/53/45/67/176534567.db2.gz CWBVUIBYTRPGGU-ZDUSSCGKSA-N 0 0 203.285 2.145 10 0 BEAERN C[C@H](C(=O)N1CCC[C@@H]1c1cnn(C)c1)C1CC1 ZINC000175308914 176562535 /nfs/dbraw/zinc/56/25/35/176562535.db2.gz WYFBYBTWUUNRDB-GXFFZTMASA-N 0 0 247.342 2.130 10 0 BEAERN C[C@H](C(=O)N1[C@H](C)COC[C@H]1C)c1ccccc1 ZINC000125955353 176566525 /nfs/dbraw/zinc/56/65/25/176566525.db2.gz VPXJEOJGSZOXOC-UPJWGTAASA-N 0 0 247.338 2.426 10 0 BEAERN C[C@H](C(=O)NCC1(C)COC1)c1cccs1 ZINC000120565067 176570482 /nfs/dbraw/zinc/57/04/82/176570482.db2.gz XZRSJFVNVLSYOD-VIFPVBQESA-N 0 0 239.340 2.004 10 0 BEAERN C[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000122914488 176576974 /nfs/dbraw/zinc/57/69/74/176576974.db2.gz SRVCYUKUGIWICN-JBLDHEPKSA-N 0 0 203.285 2.315 10 0 BEAERN C[C@H](Cn1cccn1)n1c(=S)[nH]nc1C1CC1 ZINC000042541920 176731371 /nfs/dbraw/zinc/73/13/71/176731371.db2.gz PQJJPJROHVZWSM-MRVPVSSYSA-N 0 0 249.343 2.276 10 0 BEAERN C[C@H](NC(=O)C(C1CC1)C1CC1)[C@@H]1CCCO1 ZINC000122309004 176787079 /nfs/dbraw/zinc/78/70/79/176787079.db2.gz UTPQVMBSCZTVRQ-CABZTGNLSA-N 0 0 237.343 2.106 10 0 BEAERN C[C@H](NC(=O)c1c[nH]c2ccc(N)cc12)C1CC1 ZINC000062832508 176815943 /nfs/dbraw/zinc/81/59/43/176815943.db2.gz LPNGIGHGTRGDKR-QMMMGPOBSA-N 0 0 243.310 2.278 10 0 BEAERN C[C@H](NN1CCCCC1)c1nccs1 ZINC000022862996 176885217 /nfs/dbraw/zinc/88/52/17/176885217.db2.gz XZRTYLDZCBGWNY-VIFPVBQESA-N 0 0 211.334 2.195 10 0 BEAERN C[C@@H](c1nc(Cc2ccccc2)no1)[C@H](C)O ZINC000104061514 177006386 /nfs/dbraw/zinc/00/63/86/177006386.db2.gz OKOZCGHXZPMBJW-ZJUUUORDSA-N 0 0 232.283 2.145 10 0 BEAERN C[C@H](O)[C@H](C)Nc1cc(Br)ccn1 ZINC000307761166 177012734 /nfs/dbraw/zinc/01/27/34/177012734.db2.gz YHRAEWKBCXYYLS-BQBZGAKWSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)c1c(F)cccc1N1CCCOCC1 ZINC000061919586 177015997 /nfs/dbraw/zinc/01/59/97/177015997.db2.gz JGLRAYOVAMDFNX-JTQLQIEISA-N 0 0 239.290 2.106 10 0 BEAERN C[C@H](O)c1cc2c(cc1Br)OCO2 ZINC000001859405 177016661 /nfs/dbraw/zinc/01/66/61/177016661.db2.gz JBLGTXYCRBVUSC-YFKPBYRVSA-N 0 0 245.072 2.231 10 0 BEAERN C[C@H](O)c1ccc(F)cc1OCc1ncccn1 ZINC000062749209 177017239 /nfs/dbraw/zinc/01/72/39/177017239.db2.gz ADSNMUBCPNSBPH-VIFPVBQESA-N 0 0 248.257 2.248 10 0 BEAERN C[C@H](O)c1ccc(NC(=O)Nc2ccon2)cc1 ZINC000061684547 177017549 /nfs/dbraw/zinc/01/75/49/177017549.db2.gz APVJQGBMNGXOHM-QMMMGPOBSA-N 0 0 247.254 2.372 10 0 BEAERN C[C@H](O)c1ccccc1NCc1nccn1C ZINC000051924172 177017724 /nfs/dbraw/zinc/01/77/24/177017724.db2.gz AGIKLSJYZQPEIM-JTQLQIEISA-N 0 0 231.299 2.086 10 0 BEAERN C[C@H](O)c1nc(-c2ccncc2)cs1 ZINC000071026517 177017877 /nfs/dbraw/zinc/01/78/77/177017877.db2.gz PWTXRJQBHWHUBB-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@H](O)c1nc(C(C)(C)c2ccccc2)no1 ZINC000090622240 177018366 /nfs/dbraw/zinc/01/83/66/177018366.db2.gz ZCLJWFZQVWFSNC-VIFPVBQESA-N 0 0 232.283 2.449 10 0 BEAERN C[C@H](OC(C)(C)C)C(=O)Nc1cccc(N)c1 ZINC000020507532 177020601 /nfs/dbraw/zinc/02/06/01/177020601.db2.gz AAEHERLIYBXNPV-VIFPVBQESA-N 0 0 236.315 2.411 10 0 BEAERN C[C@@H]([NH3+])c1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC000050209563 177022310 /nfs/dbraw/zinc/02/23/10/177022310.db2.gz RIQOBRFVVSKMBP-RQJHMYQMSA-N 0 0 243.690 2.212 10 0 BEAERN C[C@H](Oc1ccc(F)c(F)c1)C(N)=S ZINC000041229607 177022591 /nfs/dbraw/zinc/02/25/91/177022591.db2.gz XEZFJOHIPZFZHS-YFKPBYRVSA-N 0 0 217.240 2.018 10 0 BEAERN C[C@H](Oc1cccc(Cl)c1)c1nc(N)n[nH]1 ZINC000003723286 177023027 /nfs/dbraw/zinc/02/30/27/177023027.db2.gz POUPJMNDOPHNND-LURJTMIESA-N 0 0 238.678 2.180 10 0 BEAERN C[C@H](Oc1cccc(Cl)c1)C(N)=S ZINC000041228719 177023535 /nfs/dbraw/zinc/02/35/35/177023535.db2.gz ABYGZZIGDUNFGL-LURJTMIESA-N 0 0 215.705 2.393 10 0 BEAERN C[C@H](c1ccc[nH]1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000095089102 177035392 /nfs/dbraw/zinc/03/53/92/177035392.db2.gz BHBUOQLEZBJNCL-MWLCHTKSSA-N 0 0 222.288 2.015 10 0 BEAERN C[C@H](c1cccc(N)c1)N(C)Cc1nccn1C ZINC000062247140 177036991 /nfs/dbraw/zinc/03/69/91/177036991.db2.gz IRQGHMLJVLKVJE-LLVKDONJSA-N 0 0 244.342 2.195 10 0 BEAERN C[C@H](c1ccccc1F)N(C)c1ncc(N)cn1 ZINC000062014104 177041367 /nfs/dbraw/zinc/04/13/67/177041367.db2.gz FHMGKUZYHMEOSD-SECBINFHSA-N 0 0 246.289 2.395 10 0 BEAERN C[C@H](c1ccccc1F)n1nccc1N ZINC000019689222 177043032 /nfs/dbraw/zinc/04/30/32/177043032.db2.gz UEYSPLXAKIQTLZ-MRVPVSSYSA-N 0 0 205.236 2.214 10 0 BEAERN C[C@H]1CCCC[C@H]1N(C)Cc1nnsc1N ZINC000050816846 177087303 /nfs/dbraw/zinc/08/73/03/177087303.db2.gz MVSYBFUBZOAUBP-WCBMZHEXSA-N 0 0 240.376 2.131 10 0 BEAERN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(N)cn1C ZINC000042270978 177087502 /nfs/dbraw/zinc/08/75/02/177087502.db2.gz XCLGUZZXSRPDSU-CMPLNLGQSA-N 0 0 249.358 2.258 10 0 BEAERN C[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000019837482 177095067 /nfs/dbraw/zinc/09/50/67/177095067.db2.gz FDOLEMWGLGFUJT-JTQLQIEISA-N 0 0 219.284 2.264 10 0 BEAERN C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(C)(C)C(=O)[O-] ZINC000051288568 177096008 /nfs/dbraw/zinc/09/60/08/177096008.db2.gz SMQAVAQBLDCVMZ-VHSXEESVSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1CCCN1C(=O)c1c[nH]c2ccc(N)cc12 ZINC000062832617 177108476 /nfs/dbraw/zinc/10/84/76/177108476.db2.gz WGDIABGZPOBALL-VIFPVBQESA-N 0 0 243.310 2.375 10 0 BEAERN C[C@H]1CCCN1c1cc2c(cc1N)NC(=O)CC2 ZINC000037910158 177112292 /nfs/dbraw/zinc/11/22/92/177112292.db2.gz BAWXWPDDPZNKHO-VIFPVBQESA-N 0 0 245.326 2.142 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000042494738 177120086 /nfs/dbraw/zinc/12/00/86/177120086.db2.gz JIURMQFUUAPAMH-QJPTWQEYSA-N 0 0 240.391 2.397 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)c2ncc(N)cn2)C1 ZINC000042492297 177121410 /nfs/dbraw/zinc/12/14/10/177121410.db2.gz LLDNMLGULHTADW-GXSJLCMTSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@H]1CCC[C@@](CO)(Nc2ccccn2)C1 ZINC000053110358 177127759 /nfs/dbraw/zinc/12/77/59/177127759.db2.gz QAGDZCOQYLGDTG-WCQYABFASA-N 0 0 220.316 2.435 10 0 BEAERN C[C@H]1CCC[C@@H]1c1nc(-c2cncn2C)no1 ZINC000333212198 177127996 /nfs/dbraw/zinc/12/79/96/177127996.db2.gz PYQJCSZEBFDIFB-IUCAKERBSA-N 0 0 232.287 2.374 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000328042584 177128254 /nfs/dbraw/zinc/12/82/54/177128254.db2.gz XSDHPOZSQCDPGM-OWTLIXCDSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1CCC[C@](CO)(Nc2ccccn2)C1 ZINC000053110364 177143408 /nfs/dbraw/zinc/14/34/08/177143408.db2.gz QAGDZCOQYLGDTG-AAEUAGOBSA-N 0 0 220.316 2.435 10 0 BEAERN C[C@H]1CCN(C(=O)c2cc(Cl)ccc2N)C1 ZINC000040716627 177153109 /nfs/dbraw/zinc/15/31/09/177153109.db2.gz BKAHHRHNZUXFRV-QMMMGPOBSA-N 0 0 238.718 2.404 10 0 BEAERN C[C@H]1CCN(C(=O)c2ccc(N)cc2N)[C@@H](C)C1 ZINC000051728873 177153955 /nfs/dbraw/zinc/15/39/55/177153955.db2.gz WLPNYZWACAKBCX-UWVGGRQHSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@@H]1C(=O)[C@@H](C)CCN1Cc1ccccc1 ZINC000068592841 177165347 /nfs/dbraw/zinc/16/53/47/177165347.db2.gz BTDSRZRPAVDUQC-NWDGAFQWSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CCN[C@H](C(=O)OCc2ccccc2)C1 ZINC000002527182 177176524 /nfs/dbraw/zinc/17/65/24/177176524.db2.gz MEVXXXMYNKWKDQ-AAEUAGOBSA-N 0 0 233.311 2.118 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H](C)C2)O1 ZINC000128974490 177182217 /nfs/dbraw/zinc/18/22/17/177182217.db2.gz OUIOIGKSWRGNSM-RHYQMDGZSA-N 0 0 225.332 2.249 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2F)O1 ZINC000121810693 177197223 /nfs/dbraw/zinc/19/72/23/177197223.db2.gz ZBMSRMONHQDJAJ-GZMMTYOYSA-N 0 0 223.247 2.332 10 0 BEAERN C[C@H]1CC[C@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]2C1 ZINC000004893228 177207202 /nfs/dbraw/zinc/20/72/02/177207202.db2.gz JMMKPJPQXJTMSO-MVWJERBFSA-N 0 0 247.294 2.201 10 0 BEAERN C[C@H]1CN(C(=O)[C@H]2CCCSC2)CCS1 ZINC000336396279 177225098 /nfs/dbraw/zinc/22/50/98/177225098.db2.gz CPSRECGPQUGUSX-UWVGGRQHSA-N 0 0 245.413 2.094 10 0 BEAERN C[C@H]1CN(Cc2ccc(Cl)cc2N)CCO1 ZINC000050442824 177262574 /nfs/dbraw/zinc/26/25/74/177262574.db2.gz MHVLPKSPZHAXMD-VIFPVBQESA-N 0 0 240.734 2.143 10 0 BEAERN C[C@H]1CN(Cc2ccc(N)c(F)c2)C[C@H](C)O1 ZINC000063011159 177263891 /nfs/dbraw/zinc/26/38/91/177263891.db2.gz SIJHJSYAHSURFP-UWVGGRQHSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@@H](C(=O)c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000035019887 177273730 /nfs/dbraw/zinc/27/37/30/177273730.db2.gz CFINRVRXCZEYGL-XQQFMLRXSA-N 0 0 247.338 2.367 10 0 BEAERN C[C@@H](C(=O)c1ccccc1)N1C[C@H](C)O[C@@H](C)C1 ZINC000035019889 177274117 /nfs/dbraw/zinc/27/41/17/177274117.db2.gz CFINRVRXCZEYGL-AVGNSLFASA-N 0 0 247.338 2.367 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccc2c[nH]nc2c1 ZINC000129983804 177299509 /nfs/dbraw/zinc/29/95/09/177299509.db2.gz NENXEMMDQQJZEC-PHIMTYICSA-N 0 0 245.326 2.172 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1cccc(Cl)n1 ZINC000075766322 177300315 /nfs/dbraw/zinc/30/03/15/177300315.db2.gz HQNRKZLSGPILSH-UWVGGRQHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccnc2C(=O)[O-])C1 ZINC000062749674 177314981 /nfs/dbraw/zinc/31/49/81/177314981.db2.gz QYKNQEGXDFHZDW-PHIMTYICSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCOCc1ccccc1 ZINC000075508248 177346237 /nfs/dbraw/zinc/34/62/37/177346237.db2.gz NBXPCDIMVDHGLI-AAEUAGOBSA-N 0 0 233.311 2.118 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000171046042 177346371 /nfs/dbraw/zinc/34/63/71/177346371.db2.gz LPYHESMYWWUAOB-XVKPBYJWSA-N 0 0 237.686 2.047 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(Cl)cc(F)c1N ZINC000280869584 177348163 /nfs/dbraw/zinc/34/81/63/177348163.db2.gz FABWKSPGVQMJOS-CDUCUWFYSA-N 0 0 242.681 2.200 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1N ZINC000052268152 177348221 /nfs/dbraw/zinc/34/82/21/177348221.db2.gz UMQZWFVDYGIBEX-WKEGUHRASA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(N(C)C)cc1F ZINC000123372010 177348705 /nfs/dbraw/zinc/34/87/05/177348705.db2.gz ILWUWTISTYTKHI-UFBFGSQYSA-N 0 0 236.290 2.030 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000075528378 177348714 /nfs/dbraw/zinc/34/87/14/177348714.db2.gz AUFGTEZRYJFXSH-ZANVPECISA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1nc2ccccc2s1 ZINC000119137992 177349619 /nfs/dbraw/zinc/34/96/19/177349619.db2.gz XGPVJDIHKHBXEM-CBAPKCEASA-N 0 0 232.308 2.435 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1noc2c1CCCCC2 ZINC000134063976 177350191 /nfs/dbraw/zinc/35/01/91/177350191.db2.gz DYZVEIZORDAASL-WPRPVWTQSA-N 0 0 234.299 2.082 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000158573564 177350234 /nfs/dbraw/zinc/35/02/34/177350234.db2.gz IRRUBUPSIITKNY-ONGXEEELSA-N 0 0 242.278 2.480 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000132501616 177350639 /nfs/dbraw/zinc/35/06/39/177350639.db2.gz IRSYTWUHKWKHRY-WDSKDSINSA-N 0 0 217.194 2.316 10 0 BEAERN C[C@@H]1CCN(C(=O)Cc2ccccc2N)[C@@H](C)C1 ZINC000051728490 177355254 /nfs/dbraw/zinc/35/52/54/177355254.db2.gz KXIIVHVVTQQMSA-NEPJUHHUSA-N 0 0 246.354 2.458 10 0 BEAERN C[C@H]1C[C@H]1CN(C)C(=O)c1ccc(F)c(N)c1 ZINC000104421986 177378792 /nfs/dbraw/zinc/37/87/92/177378792.db2.gz UTRAMSJBELBWQS-WPRPVWTQSA-N 0 0 236.290 2.136 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000075519065 177382922 /nfs/dbraw/zinc/38/29/22/177382922.db2.gz XPTYDEZYTRWRGM-CMPLNLGQSA-N 0 0 217.312 2.489 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1cnc2ccccc2c1 ZINC000130664389 177383262 /nfs/dbraw/zinc/38/32/62/177383262.db2.gz RCIPSDPGGYIJJQ-IINYFYTJSA-N 0 0 240.306 2.302 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(-c2ccco2)on1 ZINC000171055482 177384552 /nfs/dbraw/zinc/38/45/52/177384552.db2.gz PLDRVKQLFIHDTO-JGVFFNPUSA-N 0 0 232.239 2.073 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000174560306 177384733 /nfs/dbraw/zinc/38/47/33/177384733.db2.gz RJZRADXPDAYRSV-JOYOIKCWSA-N 0 0 214.268 2.078 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000075514264 177384787 /nfs/dbraw/zinc/38/47/87/177384787.db2.gz CZEVZRODYKRDGZ-GZMMTYOYSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000052299178 177384849 /nfs/dbraw/zinc/38/48/49/177384849.db2.gz VWRXEPWIGFIUDV-GZMMTYOYSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1F ZINC000171066883 177384945 /nfs/dbraw/zinc/38/49/45/177384945.db2.gz CHMUCMLWWDMUAG-QUBYGPBYSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1sccc1OC(F)F ZINC000104406457 177385522 /nfs/dbraw/zinc/38/55/22/177385522.db2.gz BCNRWMSCNRCDPL-NTSWFWBYSA-N 0 0 247.266 2.488 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccccc1Cl ZINC000075528748 177385893 /nfs/dbraw/zinc/38/58/93/177385893.db2.gz XITJQJJBBFFQOC-OIBJUYFYSA-N 0 0 209.676 2.478 10 0 BEAERN C[C@H]1Cc2cc(N)ccc2N1C(=O)c1ccco1 ZINC000036742639 177389049 /nfs/dbraw/zinc/38/90/49/177389049.db2.gz KIPJJYFUQOLCQR-VIFPVBQESA-N 0 0 242.278 2.453 10 0 BEAERN C[C@H]1Cc2cc([C@@H](O)[C@@H]3CCCOC3)ccc2O1 ZINC000062239955 177389136 /nfs/dbraw/zinc/38/91/36/177389136.db2.gz AOJUXLIRBRJSJZ-JVLSTEMRSA-N 0 0 248.322 2.470 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc(C2CC2)ns1 ZINC000134572893 177403060 /nfs/dbraw/zinc/40/30/60/177403060.db2.gz UIEBGICSWMWFDM-SVRRBLITSA-N 0 0 225.317 2.005 10 0 BEAERN C[C@]1(Br)CN(c2ccccc2)C1=O ZINC000104841401 177452732 /nfs/dbraw/zinc/45/27/32/177452732.db2.gz CSEVUCOWSWEBAP-JTQLQIEISA-N 0 0 240.100 2.187 10 0 BEAERN C[C@]1(c2ccc3c(c2)OCCO3)CCC(=O)O1 ZINC000049826279 177478854 /nfs/dbraw/zinc/47/88/54/177478854.db2.gz CVJZDEZJQRJSMR-CYBMUJFWSA-N 0 0 234.251 2.010 10 0 BEAERN Cc1[nH]nc(-c2cccc(N(C)C)c2)c1N ZINC000090502048 177531419 /nfs/dbraw/zinc/53/14/19/177531419.db2.gz ITNHWAURSFICEO-UHFFFAOYSA-N 0 0 216.288 2.033 10 0 BEAERN Cc1c(-c2ccccc2)c(N)nc2ccnn21 ZINC000253564029 177551474 /nfs/dbraw/zinc/55/14/74/177551474.db2.gz GBIFDQFSGURKQV-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccc(F)cc1F ZINC000036938020 177551993 /nfs/dbraw/zinc/55/19/93/177551993.db2.gz HVCSEIZQFFEIRX-UHFFFAOYSA-N 0 0 223.226 2.256 10 0 BEAERN Cc1c(Cl)ccc2c1NC[C@@H](CO)C2 ZINC000011985017 177597481 /nfs/dbraw/zinc/59/74/81/177597481.db2.gz MWCOBUHROZCWBV-QMMMGPOBSA-N 0 0 211.692 2.225 10 0 BEAERN Cc1c(N)cccc1NC(=O)[C@H](C)OC(C)C ZINC000054036119 177613448 /nfs/dbraw/zinc/61/34/48/177613448.db2.gz IEBLVZGGWORPQA-JTQLQIEISA-N 0 0 236.315 2.329 10 0 BEAERN Cc1c(N)cnc(Cl)c1Br ZINC000095829237 177615425 /nfs/dbraw/zinc/61/54/25/177615425.db2.gz AFZHSISIVLKCMT-UHFFFAOYSA-N 0 0 221.485 2.388 10 0 BEAERN COc1cc(Br)cc2c1CCN2 ZINC000014986290 262712685 /nfs/dbraw/zinc/71/26/85/262712685.db2.gz KZYMTDHZMMOCIV-UHFFFAOYSA-N 0 0 228.089 2.426 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000306853698 487657839 /nfs/dbraw/zinc/65/78/39/487657839.db2.gz UCQJCGMRUHELRL-VWYCJHECSA-N 0 0 213.321 2.074 10 0 BEAERN CSCCC(=O)NCCc1ccccc1C ZINC000060449065 322940895 /nfs/dbraw/zinc/94/08/95/322940895.db2.gz AHUYKOFLOQGYFM-UHFFFAOYSA-N 0 0 237.368 2.407 10 0 BEAERN O=C1C[C@H](c2cccs2)SCCN1 ZINC000307440508 229403989 /nfs/dbraw/zinc/40/39/89/229403989.db2.gz XUNSEHOUBIZXFA-MRVPVSSYSA-N 0 0 213.327 2.042 10 0 BEAERN COC(=O)Cc1ccc(C(C)=O)cc1Cl ZINC000575442075 487684079 /nfs/dbraw/zinc/68/40/79/487684079.db2.gz NDBSNEKTHUJRFZ-UHFFFAOYSA-N 0 0 226.659 2.258 10 0 BEAERN CCCn1c2ccc(C(C)=O)cc2oc1=O ZINC000032500812 487689407 /nfs/dbraw/zinc/68/94/07/487689407.db2.gz AMLPNWQZGSWXDY-UHFFFAOYSA-N 0 0 219.240 2.207 10 0 BEAERN [N-]=[N+]=NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000207070516 487695801 /nfs/dbraw/zinc/69/58/01/487695801.db2.gz HOSYZMAUAWXZNZ-ZZXKWVIFSA-N 0 0 218.172 2.445 10 0 BEAERN CC(C)(C)CC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398694032 262766585 /nfs/dbraw/zinc/76/65/85/262766585.db2.gz DDKRDPCUDJGEOW-SRVKXCTJSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H](C(=O)N1C[C@H](O)CC[C@@H]1C)c1ccccc1 ZINC000399276315 262781355 /nfs/dbraw/zinc/78/13/55/262781355.db2.gz YHQSLUIVCXGFRK-SGMGOOAPSA-N 0 0 247.338 2.162 10 0 BEAERN O=C(NCC[C@@H]1CC=CCC1)n1ccnc1 ZINC000527531294 262853901 /nfs/dbraw/zinc/85/39/01/262853901.db2.gz CUOUOIVBHRNROX-LLVKDONJSA-N 0 0 219.288 2.187 10 0 BEAERN CCc1cc(-c2ccnn2C)ccc1N ZINC000088125643 487702031 /nfs/dbraw/zinc/70/20/31/487702031.db2.gz GBMHIIDAXHNUEK-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)[O-])cn1 ZINC000233439833 487717895 /nfs/dbraw/zinc/71/78/95/487717895.db2.gz GKSDOWQBYJVKQW-WPRPVWTQSA-N 0 0 220.272 2.380 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(C)c(N)c1 ZINC000226379420 487726205 /nfs/dbraw/zinc/72/62/05/487726205.db2.gz SXLICGQHQFKICK-GXFFZTMASA-N 0 0 232.327 2.496 10 0 BEAERN COc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC000668423877 487730075 /nfs/dbraw/zinc/73/00/75/487730075.db2.gz HSIFPVMICXKIEN-WDEREUQCSA-N 0 0 234.299 2.070 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCCO[C@H]1C)C(C)(C)C ZINC000250538858 487734602 /nfs/dbraw/zinc/73/46/02/487734602.db2.gz MSJHODFLZUGULX-AXFHLTTASA-N 0 0 227.348 2.352 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1 ZINC000250905187 487743895 /nfs/dbraw/zinc/74/38/95/487743895.db2.gz QSIMYYTYNVMHGV-FOUMNBMASA-N 0 0 230.311 2.305 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ncnc3c2CCCC3)C1 ZINC000675631600 487755935 /nfs/dbraw/zinc/75/59/35/487755935.db2.gz HGLMEUYAMCKTDQ-GHMZBOCLSA-N 0 0 247.342 2.071 10 0 BEAERN Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC000252818320 487834340 /nfs/dbraw/zinc/83/43/40/487834340.db2.gz ZKDZFRWPAMYPSG-ILWJIGKKSA-N 0 0 219.288 2.011 10 0 BEAERN CCCCCCC(=O)N[C@@H](C)C(OC)OC ZINC000133745515 591852253 /nfs/dbraw/zinc/85/22/53/591852253.db2.gz SIVBTFJJCYOYRZ-JTQLQIEISA-N 0 0 231.336 2.080 10 0 BEAERN COCc1noc(-c2ccc3c(c2)CCCN3)n1 ZINC000049672105 487949890 /nfs/dbraw/zinc/94/98/90/487949890.db2.gz ABDRZEDSEARSFO-UHFFFAOYSA-N 0 0 245.282 2.241 10 0 BEAERN CC(C)CSCC(=O)NC(C)(C)C ZINC000047077748 322981798 /nfs/dbraw/zinc/98/17/98/322981798.db2.gz BOPTWMDMSPNDCZ-UHFFFAOYSA-N 0 0 203.351 2.290 10 0 BEAERN CC(C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000151703138 323024526 /nfs/dbraw/zinc/02/45/26/323024526.db2.gz AOPWPIKDEXNJLC-TUAOUCFPSA-N 0 0 242.363 2.288 10 0 BEAERN CC1CC(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)C1 ZINC000540870640 323088591 /nfs/dbraw/zinc/08/85/91/323088591.db2.gz GEHIZIBMLJJUTA-TYUFSLCMSA-N 0 0 249.354 2.393 10 0 BEAERN CC[C@H](NC(=O)N(C)CC)c1nccs1 ZINC000125305339 323106644 /nfs/dbraw/zinc/10/66/44/323106644.db2.gz DBUQMPZPPPPHTL-QMMMGPOBSA-N 0 0 227.333 2.256 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2cc(F)ccc2F)O1 ZINC000155511617 323134205 /nfs/dbraw/zinc/13/42/05/323134205.db2.gz DLWUQYLLASPQPY-WRWORJQWSA-N 0 0 241.237 2.471 10 0 BEAERN CSCC(=O)N[C@H](C)Cc1ccccc1F ZINC000053191890 323196931 /nfs/dbraw/zinc/19/69/31/323196931.db2.gz GJXBPOKONCNTSS-SECBINFHSA-N 0 0 241.331 2.236 10 0 BEAERN CSCC(=O)N(CCC(C)C)C1CC1 ZINC000042767075 323253229 /nfs/dbraw/zinc/25/32/29/323253229.db2.gz XZVRQFVLTPHXBJ-UHFFFAOYSA-N 0 0 215.362 2.387 10 0 BEAERN COCCNC(=O)Nc1nc(C(C)C)cs1 ZINC000043601861 323291943 /nfs/dbraw/zinc/29/19/43/323291943.db2.gz VZQBLYRRCBKCLR-UHFFFAOYSA-N 0 0 243.332 2.034 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1c(F)cccc1F ZINC000399508882 323396307 /nfs/dbraw/zinc/39/63/07/323396307.db2.gz YTFMUFCEBVULCG-VHSXEESVSA-N 0 0 241.281 2.310 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000161846575 323568669 /nfs/dbraw/zinc/56/86/69/323568669.db2.gz CRPLBCOJQGUDKH-RKDXNWHRSA-N 0 0 235.274 2.056 10 0 BEAERN CCCc1cc(NC(=O)CC[C@H](C)OC)n[nH]1 ZINC000136342077 323657343 /nfs/dbraw/zinc/65/73/43/323657343.db2.gz KAEHTXVPANBSOP-VIFPVBQESA-N 0 0 239.319 2.116 10 0 BEAERN CCC(CC)N(CCOC)C(=O)CSC ZINC000045742364 323847497 /nfs/dbraw/zinc/84/74/97/323847497.db2.gz HZOKXUHJSCGBHU-UHFFFAOYSA-N 0 0 233.377 2.013 10 0 BEAERN CSCC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000055479938 323899365 /nfs/dbraw/zinc/89/93/65/323899365.db2.gz VFWDEJZBTQJYFP-NXEZZACHSA-N 0 0 215.362 2.292 10 0 BEAERN Nc1nc(-c2ccccn2)nc2sccc21 ZINC000050841217 323940313 /nfs/dbraw/zinc/94/03/13/323940313.db2.gz DSCXDRNTNJYTOR-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Cn1ccc(-c2nc(Br)cs2)n1 ZINC000231982554 323946143 /nfs/dbraw/zinc/94/61/43/323946143.db2.gz QZHPJNBECFCYSU-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN O=C1CCCCN1c1ccc(F)cc1F ZINC000536950118 323953000 /nfs/dbraw/zinc/95/30/00/323953000.db2.gz FOSHLJRWUXVITQ-UHFFFAOYSA-N 0 0 211.211 2.482 10 0 BEAERN COc1cccc([C@H]2CNC(=O)C23CCC3)c1 ZINC000536951472 323956476 /nfs/dbraw/zinc/95/64/76/323956476.db2.gz RBHIJCYVSHVMTR-GFCCVEGCSA-N 0 0 231.295 2.079 10 0 BEAERN CC[S@@](C)(=O)=Nc1nccc(C)c1F ZINC000536951827 323957471 /nfs/dbraw/zinc/95/74/71/323957471.db2.gz XNDRMIVZLKOOOP-CQSZACIVSA-N 0 0 216.281 2.278 10 0 BEAERN Cc1ccc([C@@H]2CNC(=O)C23CCC3)cc1 ZINC000536951922 323957500 /nfs/dbraw/zinc/95/75/00/323957500.db2.gz ZYYRFMBKMMZSPR-LBPRGKRZSA-N 0 0 215.296 2.379 10 0 BEAERN CCc1noc(CC2(O)CCC(C)CC2)n1 ZINC000536952542 323958949 /nfs/dbraw/zinc/95/89/49/323958949.db2.gz CVHOZWPTFRRCAG-UHFFFAOYSA-N 0 0 224.304 2.116 10 0 BEAERN CCCn1nccc1[C@H]1CNC(=O)C12CCCC2 ZINC000536953379 323960774 /nfs/dbraw/zinc/96/07/74/323960774.db2.gz JHEISGABXKQJAY-LLVKDONJSA-N 0 0 247.342 2.067 10 0 BEAERN O=C1NC[C@H](c2ccccc2O)C12CCCC2 ZINC000536955165 323965044 /nfs/dbraw/zinc/96/50/44/323965044.db2.gz UXTQORLNDPVJSY-LLVKDONJSA-N 0 0 231.295 2.166 10 0 BEAERN CCN(C)c1nccc2oc(C=O)cc21 ZINC000536960219 323972917 /nfs/dbraw/zinc/97/29/17/323972917.db2.gz UAXASSBBNVQEGG-UHFFFAOYSA-N 0 0 204.229 2.096 10 0 BEAERN Cc1ccc(O)cc1NC(=O)[C@H]1OCC[C@H]1C ZINC000529921728 324432529 /nfs/dbraw/zinc/43/25/29/324432529.db2.gz CPWOLPYSBGCCOF-SKDRFNHKSA-N 0 0 235.283 2.064 10 0 BEAERN CCN(C(=O)NCc1cccc(C)n1)C1CC1 ZINC000123971139 324607016 /nfs/dbraw/zinc/60/70/16/324607016.db2.gz TZFCFMCNWHIFNE-UHFFFAOYSA-N 0 0 233.315 2.084 10 0 BEAERN C[C@@H]1CC[C@@H](C)[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000302449684 487964187 /nfs/dbraw/zinc/96/41/87/487964187.db2.gz XGVFBNDKLHFNPG-GHMZBOCLSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@H]1CC[C@H](C)[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000302449688 487964340 /nfs/dbraw/zinc/96/43/40/487964340.db2.gz XGVFBNDKLHFNPG-QWRGUYRKSA-N 0 0 248.326 2.400 10 0 BEAERN CC1(C(=O)NCc2ccn(C3CCCC3)n2)CC1 ZINC000126224361 324688788 /nfs/dbraw/zinc/68/87/88/324688788.db2.gz MWTZTUWRXMTFLK-UHFFFAOYSA-N 0 0 247.342 2.415 10 0 BEAERN CS[C@H](C)CC(=O)NCC1(C)CCC1 ZINC000127398571 324765440 /nfs/dbraw/zinc/76/54/40/324765440.db2.gz QLTCEKDJYMFGHS-SECBINFHSA-N 0 0 215.362 2.434 10 0 BEAERN Cc1cccc(CN(C)C(=O)OC(C)C)n1 ZINC000127581517 324776828 /nfs/dbraw/zinc/77/68/28/324776828.db2.gz UZLYXGMICBQQQF-UHFFFAOYSA-N 0 0 222.288 2.367 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000128198978 324812061 /nfs/dbraw/zinc/81/20/61/324812061.db2.gz CEHPXJHCUHNHCD-GFCCVEGCSA-N 0 0 248.326 2.170 10 0 BEAERN COc1cccc(CNC(=O)C[C@@H]2C=CCC2)n1 ZINC000128435591 324838657 /nfs/dbraw/zinc/83/86/57/324838657.db2.gz AKLHINHCHXAEOZ-LLVKDONJSA-N 0 0 246.310 2.063 10 0 BEAERN Cc1cc(=O)[nH]cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000128535581 324850345 /nfs/dbraw/zinc/85/03/45/324850345.db2.gz OGHWKKXKPSMMOH-GHMZBOCLSA-N 0 0 248.326 2.086 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2N(C)C)O1 ZINC000130172249 325020688 /nfs/dbraw/zinc/02/06/88/325020688.db2.gz WFZARMUXWUQSRK-GXFFZTMASA-N 0 0 248.326 2.259 10 0 BEAERN C[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C)C1 ZINC000542393010 325023888 /nfs/dbraw/zinc/02/38/88/325023888.db2.gz AZTUUXDGVDWJHU-RVMXOQNASA-N 0 0 239.359 2.042 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2C)o1 ZINC000070937684 325045769 /nfs/dbraw/zinc/04/57/69/325045769.db2.gz BPLHLDYTVVSCFV-VIFPVBQESA-N 0 0 233.271 2.111 10 0 BEAERN Cc1ccc(CN(C)C(=O)c2ccncc2F)o1 ZINC000130707343 325081623 /nfs/dbraw/zinc/08/16/23/325081623.db2.gz DJVSYCZRQDZERM-UHFFFAOYSA-N 0 0 248.257 2.394 10 0 BEAERN C(CSC1CCOCC1)OC[C@H]1CCCO1 ZINC000130718402 325082201 /nfs/dbraw/zinc/08/22/01/325082201.db2.gz JYTUQEFGYJWGQH-LLVKDONJSA-N 0 0 246.372 2.094 10 0 BEAERN CSC[C@@H](C)NC(=O)c1ccc(C)nc1C ZINC000130854702 325093580 /nfs/dbraw/zinc/09/35/80/325093580.db2.gz DUKFNFORBCIRQI-SECBINFHSA-N 0 0 238.356 2.180 10 0 BEAERN CCOc1cccnc1C(=O)N1CC[C@@H](CC)C1 ZINC000131251888 325130546 /nfs/dbraw/zinc/13/05/46/325130546.db2.gz WNTYEOZUFRRPLK-LLVKDONJSA-N 0 0 248.326 2.352 10 0 BEAERN CCC(CC)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000131297772 325134899 /nfs/dbraw/zinc/13/48/99/325134899.db2.gz MLTKIWUUCVWIRC-CHWSQXEVSA-N 0 0 241.375 2.480 10 0 BEAERN Cc1ccc(OCc2nsc(N(C)C)n2)cc1 ZINC000131427498 325148838 /nfs/dbraw/zinc/14/88/38/325148838.db2.gz XHPPNCNOOXVCKB-UHFFFAOYSA-N 0 0 249.339 2.492 10 0 BEAERN COC[C@@H](C)CNc1cccc(NC(C)=O)c1 ZINC000131688327 325177970 /nfs/dbraw/zinc/17/79/70/325177970.db2.gz GBMLYFTYEGOPMF-JTQLQIEISA-N 0 0 236.315 2.339 10 0 BEAERN Cc1ccc(C(=O)Nc2ccncc2F)c(C)n1 ZINC000132258023 325207320 /nfs/dbraw/zinc/20/73/20/325207320.db2.gz ODLKDBPDQLWXGQ-UHFFFAOYSA-N 0 0 245.257 2.485 10 0 BEAERN CSCCCCNC(=O)N(C)CC1CC1 ZINC000133008864 325259995 /nfs/dbraw/zinc/25/99/95/325259995.db2.gz JXUARORYNGCAJX-UHFFFAOYSA-N 0 0 230.377 2.181 10 0 BEAERN CCc1noc(C)c1NC(=O)CCCCOC ZINC000133054484 325263650 /nfs/dbraw/zinc/26/36/50/325263650.db2.gz GYZOKPVJJQKWRN-UHFFFAOYSA-N 0 0 240.303 2.301 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccn2)O1 ZINC000133287116 325282125 /nfs/dbraw/zinc/28/21/25/325282125.db2.gz HRUQTDAKDQFTKF-APPZFPTMSA-N 0 0 240.690 2.241 10 0 BEAERN CC[C@@H](C)OCC(=O)NC(C)(CC)CC ZINC000133644657 325306184 /nfs/dbraw/zinc/30/61/84/325306184.db2.gz JAWNXYIKBJZDAM-SNVBAGLBSA-N 0 0 215.337 2.496 10 0 BEAERN COCCC1(C(=O)NCCCCSC)CC1 ZINC000133922366 325330603 /nfs/dbraw/zinc/33/06/03/325330603.db2.gz RJARNTODAVQDNH-UHFFFAOYSA-N 0 0 245.388 2.063 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)o1 ZINC000076362487 325342071 /nfs/dbraw/zinc/34/20/71/325342071.db2.gz STIZYRYGPUYXLV-OCAPTIKFSA-N 0 0 243.690 2.182 10 0 BEAERN Cc1c[nH]nc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000134686430 325372132 /nfs/dbraw/zinc/37/21/32/325372132.db2.gz NMTCLAOIGKPWQQ-NEPJUHHUSA-N 0 0 241.294 2.460 10 0 BEAERN CCCc1cc(NC(=O)c2cccc(O)c2)n[nH]1 ZINC000136118972 325441513 /nfs/dbraw/zinc/44/15/13/325441513.db2.gz MNYIUSINHLPKOG-UHFFFAOYSA-N 0 0 245.282 2.320 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000245538871 325511858 /nfs/dbraw/zinc/51/18/58/325511858.db2.gz ZGKLJIOPDCMJIR-UTLUCORTSA-N 0 0 240.347 2.040 10 0 BEAERN C[C@@H]1C[C@H]1N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249175251 325640004 /nfs/dbraw/zinc/64/00/04/325640004.db2.gz DXJFHFDSRCJULC-RAIGVLPGSA-N 0 0 227.311 2.497 10 0 BEAERN CCc1onc(C)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000089391851 325665016 /nfs/dbraw/zinc/66/50/16/325665016.db2.gz XLTVODYXTSNWMC-OIBJUYFYSA-N 0 0 238.287 2.051 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000153918929 326120179 /nfs/dbraw/zinc/12/01/79/326120179.db2.gz WLZYLBJQBROVQX-GARJFASQSA-N 0 0 213.321 2.058 10 0 BEAERN CCC[C@H]1CCCN(C(=O)[C@H](C)COC)C1 ZINC000155415058 326195359 /nfs/dbraw/zinc/19/53/59/326195359.db2.gz KUKNTONYWYXJCN-NEPJUHHUSA-N 0 0 227.348 2.308 10 0 BEAERN Cc1sc(-c2ccco2)nc1CCO ZINC000220381819 487981579 /nfs/dbraw/zinc/98/15/79/487981579.db2.gz TYNYUKOAVMMDIR-UHFFFAOYSA-N 0 0 209.270 2.246 10 0 BEAERN COC(=O)C1CCC([C@@H](C)OC)CC1 ZINC000584600225 488018353 /nfs/dbraw/zinc/01/83/53/488018353.db2.gz APOAXTPVBFXXFY-XNWIYYODSA-N 0 0 200.278 2.001 10 0 BEAERN Cc1nnc(CN2CCC[C@H]2c2ccco2)o1 ZINC000116294306 488032908 /nfs/dbraw/zinc/03/29/08/488032908.db2.gz HJIJSINVXSWXOG-JTQLQIEISA-N 0 0 233.271 2.308 10 0 BEAERN CN1N=CCc2c(-c3ccccc3)ncnc21 ZINC000147762111 488056726 /nfs/dbraw/zinc/05/67/26/488056726.db2.gz XLALBRITIISVRV-UHFFFAOYSA-N 0 0 224.267 2.122 10 0 BEAERN CCC1CCC(NC(=O)CCCCO)CC1 ZINC000092175073 488085702 /nfs/dbraw/zinc/08/57/02/488085702.db2.gz AJPKWHFYOJGYBO-UHFFFAOYSA-N 0 0 227.348 2.234 10 0 BEAERN CCc1cc(CC)nc(N[C@H]2CCC[C@@H](O)C2)n1 ZINC000672167087 488100237 /nfs/dbraw/zinc/10/02/37/488100237.db2.gz KDURZZGMFHTJPY-QWHCGFSZSA-N 0 0 249.358 2.317 10 0 BEAERN Cc1nn(C)cc1-c1ccc(C)c(N)c1 ZINC000085017684 488122517 /nfs/dbraw/zinc/12/25/17/488122517.db2.gz ODRIOTSNMJXGTB-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN COCc1ccc(C(=O)NCC2(C3CC3)CC2)o1 ZINC000119123378 487530246 /nfs/dbraw/zinc/53/02/46/487530246.db2.gz REGCVZRILMNFIA-UHFFFAOYSA-N 0 0 249.310 2.346 10 0 BEAERN Cc1cnc([C@@H](C)Nc2ccc(C)nn2)o1 ZINC000231747517 487473762 /nfs/dbraw/zinc/47/37/62/487473762.db2.gz AGTDDIGWNDWCIO-SECBINFHSA-N 0 0 218.260 2.255 10 0 BEAERN O=C(CC1=CCCCC1)N[C@H]1CCC[C@H](O)C1 ZINC000673904774 487474550 /nfs/dbraw/zinc/47/45/50/487474550.db2.gz LMKHISOSRGOTRU-STQMWFEESA-N 0 0 237.343 2.297 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCC[C@H](O)C1)C(C)(C)C ZINC000673904602 487474707 /nfs/dbraw/zinc/47/47/07/487474707.db2.gz BYLMIEJUZDAHMW-VWYCJHECSA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)(C)CCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000673909651 487476753 /nfs/dbraw/zinc/47/67/53/487476753.db2.gz VCXHTTMCDXGTCR-GHMZBOCLSA-N 0 0 227.348 2.232 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000673910454 487478084 /nfs/dbraw/zinc/47/80/84/487478084.db2.gz BMGWEDHVDHZYOO-SRVKXCTJSA-N 0 0 242.363 2.025 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1C2CCC1CC2 ZINC000399770465 487496068 /nfs/dbraw/zinc/49/60/68/487496068.db2.gz SCXIBNAYZXSGOX-BWIOIVMUSA-N 0 0 205.301 2.186 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc2ccc(N)cc2s1 ZINC000149276531 487512429 /nfs/dbraw/zinc/51/24/29/487512429.db2.gz SKFLTKHWZGMLSH-IONNQARKSA-N 0 0 249.339 2.468 10 0 BEAERN O[C@H]1CCC[C@@H](CN2CCC[C@H]2C(F)F)C1 ZINC000660149499 487698622 /nfs/dbraw/zinc/69/86/22/487698622.db2.gz YLHQKGCQISSPMT-VWYCJHECSA-N 0 0 233.302 2.267 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCNc2ccccc21 ZINC000386137908 487830636 /nfs/dbraw/zinc/83/06/36/487830636.db2.gz PZINWFTUQGHOJJ-ZSBIGDGJSA-N 0 0 242.322 2.491 10 0 BEAERN O=C(NCc1cccc(O)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250066538 488135636 /nfs/dbraw/zinc/13/56/36/488135636.db2.gz XTQSVQSNBXFSGQ-ZSBIGDGJSA-N 0 0 231.295 2.055 10 0 BEAERN Cc1ccncc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667912290 488151289 /nfs/dbraw/zinc/15/12/89/488151289.db2.gz CXVZTHFSKMFAAX-YPMHNXCESA-N 0 0 218.300 2.369 10 0 BEAERN C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000394780104 488155237 /nfs/dbraw/zinc/15/52/37/488155237.db2.gz GAVTVIMRFWTDCF-FVCCEPFGSA-N 0 0 239.359 2.465 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000404598841 488170303 /nfs/dbraw/zinc/17/03/03/488170303.db2.gz UMNAGYHKWCFBKO-JQWIXIFHSA-N 0 0 247.342 2.121 10 0 BEAERN Cc1cccc2c1CCN2CC(=O)NC(C)(C)C ZINC000126235394 488177232 /nfs/dbraw/zinc/17/72/32/488177232.db2.gz YMUXEWJLOOMYDF-UHFFFAOYSA-N 0 0 246.354 2.272 10 0 BEAERN CCOc1cc(N[C@@H]2C[C@@H]2C)nc(C)n1 ZINC000085485530 488177490 /nfs/dbraw/zinc/17/74/90/488177490.db2.gz NYKWNJUTEIKLQG-IONNQARKSA-N 0 0 207.277 2.004 10 0 BEAERN CCc1cc(N[C@H]2CCC[C@@H](O)C2)nc(C)n1 ZINC000679836931 488367586 /nfs/dbraw/zinc/36/75/86/488367586.db2.gz BHNNVCBUYSYAGT-NWDGAFQWSA-N 0 0 235.331 2.063 10 0 BEAERN Cc1cc(C)cc(N(C)C[C@H](C)CO)c1 ZINC000120679804 490067089 /nfs/dbraw/zinc/06/70/89/490067089.db2.gz HVIOHUAASMDURG-LBPRGKRZSA-N 0 0 207.317 2.368 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)O1 ZINC000246071805 490202452 /nfs/dbraw/zinc/20/24/52/490202452.db2.gz SEFILMHQPJMJOX-IRCOFANPSA-N 0 0 225.332 2.249 10 0 BEAERN CCC[C@@H](O)CNc1ncnc2c1CCCCC2 ZINC000123799296 490259914 /nfs/dbraw/zinc/25/99/14/490259914.db2.gz BCOLCSXSHFESIP-LLVKDONJSA-N 0 0 249.358 2.318 10 0 BEAERN Nc1nc(-c2ccc3n[nH]cc3c2)cs1 ZINC000066099167 490268715 /nfs/dbraw/zinc/26/87/15/490268715.db2.gz IHKNEMYSHFRMOS-UHFFFAOYSA-N 0 0 216.269 2.269 10 0 BEAERN c1coc([C@H]2CCCN2Cc2cncnc2)c1 ZINC000124538200 490372618 /nfs/dbraw/zinc/37/26/18/490372618.db2.gz IFUQWFZYNDHPRC-GFCCVEGCSA-N 0 0 229.283 2.407 10 0 BEAERN CCC[C@@H](O)Cc1nc(CC2CCC2)no1 ZINC000304626732 490379431 /nfs/dbraw/zinc/37/94/31/490379431.db2.gz PZBRZVVRZWAKMD-SNVBAGLBSA-N 0 0 224.304 2.116 10 0 BEAERN c1cc(NCc2cncnc2)cc2c1COC2 ZINC000125430779 490431118 /nfs/dbraw/zinc/43/11/18/490431118.db2.gz LESQGJZKWMSRFD-UHFFFAOYSA-N 0 0 227.267 2.119 10 0 BEAERN C(c1nc(C2CCCC2)no1)N1CCCC1 ZINC000131247476 490625544 /nfs/dbraw/zinc/62/55/44/490625544.db2.gz WXKQVQHSKRRWRX-UHFFFAOYSA-N 0 0 221.304 2.323 10 0 BEAERN C[C@@H]1CCCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000652442038 491085142 /nfs/dbraw/zinc/08/51/42/491085142.db2.gz DBECRZOFQLDYHO-LLVKDONJSA-N 0 0 248.326 2.402 10 0 BEAERN C[N@H+](Cc1cncnc1)C(C1CC1)C1CC1 ZINC000123640965 491119940 /nfs/dbraw/zinc/11/99/40/491119940.db2.gz DOFVLMBRUBJMIH-UHFFFAOYSA-N 0 0 217.316 2.097 10 0 BEAERN CCC(=O)N(CCc1nccs1)C(C)C ZINC000132555198 491136849 /nfs/dbraw/zinc/13/68/49/491136849.db2.gz UBEAOWZKMOFCPA-UHFFFAOYSA-N 0 0 226.345 2.333 10 0 BEAERN Cc1cnc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000300664971 491142306 /nfs/dbraw/zinc/14/23/06/491142306.db2.gz RKVGFNMHAKOPOT-ILWJIGKKSA-N 0 0 236.340 2.114 10 0 BEAERN CCc1csc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000309031939 491142911 /nfs/dbraw/zinc/14/29/11/491142911.db2.gz FJRICTHIJUXNSW-ZJUUUORDSA-N 0 0 226.345 2.421 10 0 BEAERN CCc1csc(N[C@H]2CCC[C@@H](O)C2)n1 ZINC000309031938 491142917 /nfs/dbraw/zinc/14/29/17/491142917.db2.gz FJRICTHIJUXNSW-VHSXEESVSA-N 0 0 226.345 2.421 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2Cc3ccccc32)O1 ZINC000133175679 491148061 /nfs/dbraw/zinc/14/80/61/491148061.db2.gz NUGRTCUVJLHLAE-OSMZGAPFSA-N 0 0 245.322 2.010 10 0 BEAERN CC(C)(C)NC(=O)N[C@H]1CNc2ccccc2C1 ZINC000020256977 491156637 /nfs/dbraw/zinc/15/66/37/491156637.db2.gz QKQYIKQUHOEETE-LLVKDONJSA-N 0 0 247.342 2.121 10 0 BEAERN COc1ccc(C)nc1N[C@H](C)[C@H](C)OC ZINC000134307598 491163006 /nfs/dbraw/zinc/16/30/06/491163006.db2.gz UJHDYICSDWMWMT-ZJUUUORDSA-N 0 0 224.304 2.234 10 0 BEAERN CCOC(=O)[C@H](CC)c1nc(C(C)C)no1 ZINC000057353544 521240092 /nfs/dbraw/zinc/24/00/92/521240092.db2.gz AXAFEHNGILDRMO-MRVPVSSYSA-N 0 0 226.276 2.250 10 0 BEAERN COC(=O)c1cnc([C@H](O)C(C)(C)C)s1 ZINC000757121454 582496860 /nfs/dbraw/zinc/49/68/60/582496860.db2.gz BIXMCYKCXJZLTF-ZETCQYMHSA-N 0 0 229.301 2.009 10 0 BEAERN CC(=O)c1csc([C@H](O)[C@@H]2C[C@H]2C)n1 ZINC000757126431 582500423 /nfs/dbraw/zinc/50/04/23/582500423.db2.gz HOOBCYGVCHMYBR-SLBFFKMLSA-N 0 0 211.286 2.035 10 0 BEAERN CC(=O)c1csc([C@H](O)C(C)(C)C)n1 ZINC000757128612 582503011 /nfs/dbraw/zinc/50/30/11/582503011.db2.gz LVNKFNYHNJDNHF-QMMMGPOBSA-N 0 0 213.302 2.425 10 0 BEAERN CC(=O)c1csc([C@@H](O)C2CCC2)n1 ZINC000757128470 582503336 /nfs/dbraw/zinc/50/33/36/582503336.db2.gz KZWVOHMMPRSPJD-VIFPVBQESA-N 0 0 211.286 2.179 10 0 BEAERN CC[C@H](C)[C@H](O)c1ncc(C(C)=O)s1 ZINC000757133744 582509874 /nfs/dbraw/zinc/50/98/74/582509874.db2.gz WUCYIFMMTZGTFM-RCOVLWMOSA-N 0 0 213.302 2.425 10 0 BEAERN CC[C@H](C)[C@H](O)c1nc(C(=O)OC)cs1 ZINC000757133830 582510592 /nfs/dbraw/zinc/51/05/92/582510592.db2.gz WUHMJIIWFGFSPR-XPUUQOCRSA-N 0 0 229.301 2.009 10 0 BEAERN Cc1cc(C[C@H](O)CCCO)ccc1Cl ZINC000757142807 582522770 /nfs/dbraw/zinc/52/27/70/582522770.db2.gz FQSRENZPWMVKRW-LLVKDONJSA-N 0 0 228.719 2.324 10 0 BEAERN Cc1ccoc1CSc1nn(C)cc1N ZINC000757163125 582545621 /nfs/dbraw/zinc/54/56/21/582545621.db2.gz CJJKUHJHXMYGPI-UHFFFAOYSA-N 0 0 223.301 2.196 10 0 BEAERN Cc1ccoc1CSC[C@H](C)CO ZINC000757166430 582547503 /nfs/dbraw/zinc/54/75/03/582547503.db2.gz UBXHRXFLHWMXKM-MRVPVSSYSA-N 0 0 200.303 2.450 10 0 BEAERN CCN(CC(C)C)C(=O)[C@H]1CCCO[C@H]1C ZINC000188300007 517631256 /nfs/dbraw/zinc/63/12/56/517631256.db2.gz GGQYJMRGPQTPAP-RYUDHWBXSA-N 0 0 227.348 2.306 10 0 BEAERN CC[NH+](CC)[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000074490815 517642684 /nfs/dbraw/zinc/64/26/84/517642684.db2.gz PZDQMNUGBKKIPH-CYBMUJFWSA-N 0 0 235.327 2.414 10 0 BEAERN C[C@H](CO)Nc1ccc(C(F)(F)F)cc1 ZINC000054186806 518182342 /nfs/dbraw/zinc/18/23/42/518182342.db2.gz SWXCVJNYASROGT-SSDOTTSWSA-N 0 0 219.206 2.498 10 0 BEAERN Cc1ccc(C(=O)c2cccc(C=O)n2)cc1 ZINC000033611508 518188439 /nfs/dbraw/zinc/18/84/39/518188439.db2.gz YTAHFGFCIMJWOR-UHFFFAOYSA-N 0 0 225.247 2.434 10 0 BEAERN CCN(C(F)F)S(=O)(=O)c1ccc(C)cc1 ZINC000057354409 520138072 /nfs/dbraw/zinc/13/80/72/520138072.db2.gz FYPQZLUZUFWUTF-UHFFFAOYSA-N 0 0 249.282 2.228 10 0 BEAERN C=CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000037004774 534493156 /nfs/dbraw/zinc/49/31/56/534493156.db2.gz LBNYDQILHHSDML-UHFFFAOYSA-N 0 0 231.299 2.196 10 0 BEAERN CCO[C@H]1CCCC[C@H]1CC(=O)OC ZINC000085396279 520524919 /nfs/dbraw/zinc/52/49/19/520524919.db2.gz SKOMMVNYXOLGGZ-UWVGGRQHSA-N 0 0 200.278 2.145 10 0 BEAERN CCCC[N@@H+]1CC[C@H](CC(=O)[O-])C[C@H]1C ZINC000252475017 520596392 /nfs/dbraw/zinc/59/63/92/520596392.db2.gz QPCJRHIFMVADPO-MNOVXSKESA-N 0 0 213.321 2.362 10 0 BEAERN CC1=NO[C@@H](CC(=O)OCc2ccccc2)C1 ZINC000072203305 520900589 /nfs/dbraw/zinc/90/05/89/520900589.db2.gz MJCDHTHWDBPTFN-GFCCVEGCSA-N 0 0 233.267 2.285 10 0 BEAERN CCCc1noc(NCc2ccco2)n1 ZINC000057353964 521592990 /nfs/dbraw/zinc/59/29/90/521592990.db2.gz DLSGMZRLUDKVKJ-UHFFFAOYSA-N 0 0 207.233 2.227 10 0 BEAERN CCOC(=O)c1oc2c(c1C)[C@H](O)C[C@H](C)C2 ZINC000057348310 521608419 /nfs/dbraw/zinc/60/84/19/521608419.db2.gz RUPJRWBPUXWVOF-IONNQARKSA-N 0 0 238.283 2.380 10 0 BEAERN COC(=O)[C@@H](c1ccc(Cl)c(F)c1)N(C)C ZINC000095532641 523655515 /nfs/dbraw/zinc/65/55/15/523655515.db2.gz YHLGGFYAIOITOB-SNVBAGLBSA-N 0 0 245.681 2.255 10 0 BEAERN CCc1ccc(CNCc2ccn(C)n2)cc1 ZINC000020349079 523944043 /nfs/dbraw/zinc/94/40/43/523944043.db2.gz UJJMBFBWCBABTR-UHFFFAOYSA-N 0 0 229.327 2.272 10 0 BEAERN C[C@@H](NC(=O)c1ccc(N)cc1)C(C)(C)C ZINC000133446574 582869060 /nfs/dbraw/zinc/86/90/60/582869060.db2.gz NTMOBDKLQZFAAK-SECBINFHSA-N 0 0 220.316 2.433 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178717973 534909349 /nfs/dbraw/zinc/90/93/49/534909349.db2.gz TTXFEHDFXRQYFE-RYUDHWBXSA-N 0 0 249.310 2.169 10 0 BEAERN Cc1noc(-c2cccc(Cl)c2N)n1 ZINC000229003629 526451846 /nfs/dbraw/zinc/45/18/46/526451846.db2.gz GOIITMBDCFKMGN-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN N[C@H](c1noc(C(F)F)n1)c1ccccc1 ZINC000095532838 527392372 /nfs/dbraw/zinc/39/23/72/527392372.db2.gz HUACGUUOCUGNOA-ZETCQYMHSA-N 0 0 225.198 2.055 10 0 BEAERN O=c1ccc(-c2nc(C3CCCCC3)no2)c[nH]1 ZINC000229003486 527484872 /nfs/dbraw/zinc/48/48/72/527484872.db2.gz ZXEYXTTUPBWQAR-UHFFFAOYSA-N 0 0 245.282 2.473 10 0 BEAERN CCOC(=O)[C@]1(C)CCc2[nH]nc(CC)c2C1 ZINC000504725016 528111954 /nfs/dbraw/zinc/11/19/54/528111954.db2.gz MGONPSCCVUCPSR-CYBMUJFWSA-N 0 0 236.315 2.030 10 0 BEAERN CC(C)c1nccnc1NCc1cccnc1 ZINC000471828036 528362412 /nfs/dbraw/zinc/36/24/12/528362412.db2.gz SXYFSCNWSHEHCV-UHFFFAOYSA-N 0 0 228.299 2.029 10 0 BEAERN CCC(CC)NC(=O)N1CCC[C@@H](COC)C1 ZINC000113577078 535061597 /nfs/dbraw/zinc/06/15/97/535061597.db2.gz AJIRTZWUZSPKSC-LLVKDONJSA-N 0 0 242.363 2.243 10 0 BEAERN CC(C)N1C(=O)CCN(c2ccccc2)C1=O ZINC000037606638 535125453 /nfs/dbraw/zinc/12/54/53/535125453.db2.gz RTHQOFQGTFBEDU-UHFFFAOYSA-N 0 0 232.283 2.254 10 0 BEAERN CCC1(C(=O)N2C[C@H]3CCC[C@@H]32)CCOCC1 ZINC000334225050 535235333 /nfs/dbraw/zinc/23/53/33/535235333.db2.gz APZSSMSCVDJEFI-NEPJUHHUSA-N 0 0 237.343 2.204 10 0 BEAERN CC(C)[C@@H]1N(C(=O)C(C)(C)C)C[C@]12CCCO2 ZINC000336169521 535287658 /nfs/dbraw/zinc/28/76/58/535287658.db2.gz WDFXBOPFDSTBEC-SMDDNHRTSA-N 0 0 239.359 2.449 10 0 BEAERN CC1(C)CC[C@H](n2ncc3c2C[C@H](O)CC3)C1 ZINC000335301113 535329031 /nfs/dbraw/zinc/32/90/31/535329031.db2.gz VPRKIQZXLLJYJU-NWDGAFQWSA-N 0 0 234.343 2.484 10 0 BEAERN CC1(C)CC[C@H](n2ncc3c2C[C@@H](O)CC3)C1 ZINC000335301114 535329473 /nfs/dbraw/zinc/32/94/73/535329473.db2.gz VPRKIQZXLLJYJU-RYUDHWBXSA-N 0 0 234.343 2.484 10 0 BEAERN CCCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000251312313 535337046 /nfs/dbraw/zinc/33/70/46/535337046.db2.gz KLWWIXHWXLRGHH-YNEHKIRRSA-N 0 0 239.359 2.329 10 0 BEAERN CCC[C@@H](NC(=O)CC)C(=O)OC(C)(C)C ZINC000161522981 535350802 /nfs/dbraw/zinc/35/08/02/535350802.db2.gz HDDCENUPCMASJU-SECBINFHSA-N 0 0 229.320 2.023 10 0 BEAERN CCN(CC)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000226555951 535457764 /nfs/dbraw/zinc/45/77/64/535457764.db2.gz WGHAKFHVDYCOPO-SECBINFHSA-N 0 0 225.292 2.095 10 0 BEAERN CCOCCCC(=O)N[C@H]1COc2ccccc21 ZINC000058729719 535498411 /nfs/dbraw/zinc/49/84/11/535498411.db2.gz KAIMGJKTWKYDNM-LBPRGKRZSA-N 0 0 249.310 2.053 10 0 BEAERN CCN(C)C(=O)N1CC(C2CCCC2)C1 ZINC000335713639 535727801 /nfs/dbraw/zinc/72/78/01/535727801.db2.gz RPFQSDUIQZPKPB-UHFFFAOYSA-N 0 0 210.321 2.180 10 0 BEAERN CCO[C@@H]1CCCN(c2cc(F)ccc2N)C1 ZINC000052121869 535745826 /nfs/dbraw/zinc/74/58/26/535745826.db2.gz YZTRWONMLLEPMV-LLVKDONJSA-N 0 0 238.306 2.413 10 0 BEAERN CCc1nsc(N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000083653123 535913135 /nfs/dbraw/zinc/91/31/35/535913135.db2.gz YPGJOTWKVKNQPA-YUMQZZPRSA-N 0 0 227.333 2.080 10 0 BEAERN CC[C@]1(C)CN(c2cc(C)c(C)nn2)CCO1 ZINC000302686462 535918310 /nfs/dbraw/zinc/91/83/10/535918310.db2.gz UAVZCZJSAHOMFY-CYBMUJFWSA-N 0 0 235.331 2.099 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1C[C@H]1C ZINC000248473720 535958959 /nfs/dbraw/zinc/95/89/59/535958959.db2.gz LDKMYFZBJLVXQJ-CHWFTXMASA-N 0 0 210.321 2.225 10 0 BEAERN CN(C)C(=O)N1CCCC[C@@H]1c1ccco1 ZINC000336626900 536078786 /nfs/dbraw/zinc/07/87/86/536078786.db2.gz UHQVOXKDBTZRIC-SNVBAGLBSA-N 0 0 222.288 2.488 10 0 BEAERN CC[C@H]1CN(c2ccc(N)c(C)c2)CCO1 ZINC000036769271 536160673 /nfs/dbraw/zinc/16/06/73/536160673.db2.gz FRUIERZMXROPNX-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@H]1CN(c2ccc([C@@H](C)O)cc2)CCO1 ZINC000036770312 536161911 /nfs/dbraw/zinc/16/19/11/536161911.db2.gz QSLDQIVPKKGSKC-RISCZKNCSA-N 0 0 235.327 2.355 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1ccc(F)cc1N ZINC000036131883 536171658 /nfs/dbraw/zinc/17/16/58/536171658.db2.gz VODJJAAXFYHVPU-KOLCDFICSA-N 0 0 238.306 2.412 10 0 BEAERN COC(=O)[C@H](C)SCc1nccn1C(C)C ZINC000177241161 536639920 /nfs/dbraw/zinc/63/99/20/536639920.db2.gz HCMKXHIBRZWESQ-VIFPVBQESA-N 0 0 242.344 2.259 10 0 BEAERN COc1cc(C)nc(N[C@@H](C)C(C)C)n1 ZINC000162409299 536704299 /nfs/dbraw/zinc/70/42/99/536704299.db2.gz KNCZCYJIMINMEJ-VIFPVBQESA-N 0 0 209.293 2.250 10 0 BEAERN COC1CCN(c2ccc(C)c(N)c2)CC1 ZINC000061701179 536756365 /nfs/dbraw/zinc/75/63/65/536756365.db2.gz FPRAAQICHXMSGA-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC(C(C)C)CC1 ZINC000174490861 536863597 /nfs/dbraw/zinc/86/35/97/536863597.db2.gz OLQYGEAYFCMPBW-LLVKDONJSA-N 0 0 227.348 2.164 10 0 BEAERN Nc1cn(Cc2ccc(Cl)cc2)cn1 ZINC000074178335 537915784 /nfs/dbraw/zinc/91/57/84/537915784.db2.gz FDCXVZOEKARGKT-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Cc1cn(CCCC(C)(F)F)nc1N ZINC000718692570 537926714 /nfs/dbraw/zinc/92/67/14/537926714.db2.gz QMDOWUJKZTWZPW-UHFFFAOYSA-N 0 0 203.236 2.209 10 0 BEAERN Nc1cnn(Cc2cccc(Cl)c2Cl)n1 ZINC000725250973 538028328 /nfs/dbraw/zinc/02/83/28/538028328.db2.gz VJIODGXNQDBPHO-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN CC(C)(C)C(=O)NCCc1cc(O)cc(F)c1 ZINC000725262849 538089512 /nfs/dbraw/zinc/08/95/12/538089512.db2.gz ZNMJEPDBIYZXIM-UHFFFAOYSA-N 0 0 239.290 2.236 10 0 BEAERN Nc1ccn(CCSc2ccccc2)n1 ZINC000070946295 566273037 /nfs/dbraw/zinc/27/30/37/566273037.db2.gz VTNKFHAZYXFWIV-UHFFFAOYSA-N 0 0 219.313 2.258 10 0 BEAERN Cc1nc(-c2cccc(C[NH3+])c2)sc1C(=O)[O-] ZINC000011887538 566473787 /nfs/dbraw/zinc/47/37/87/566473787.db2.gz UXDLMLVFUSSFQK-UHFFFAOYSA-N 0 0 248.307 2.275 10 0 BEAERN COc1ccc(/C=C/Br)cn1 ZINC000685963776 566487907 /nfs/dbraw/zinc/48/79/07/566487907.db2.gz GCMADNGHSHZETK-SNAWJCMRSA-N 0 0 214.062 2.456 10 0 BEAERN CCCC(=O)c1c(O)cc(OC)c(C)c1O ZINC000000900173 560179598 /nfs/dbraw/zinc/17/95/98/560179598.db2.gz GJRJTYFSORWKBE-UHFFFAOYSA-N 0 0 224.256 2.398 10 0 biogenic,in-vitro BEAERN COC(CC(=O)c1csc(C)c1)OC ZINC000394461091 582977552 /nfs/dbraw/zinc/97/75/52/582977552.db2.gz VDTXJKMJKMLGRD-UHFFFAOYSA-N 0 0 214.286 2.248 10 0 BEAERN CSCCC(=O)O[C@H](C)c1cccnc1 ZINC000113684445 583110949 /nfs/dbraw/zinc/11/09/49/583110949.db2.gz FQWCCTNZTYRZML-SECBINFHSA-N 0 0 225.313 2.439 10 0 BEAERN Cn1cc(COC(=O)/C=C/C(C)(C)C)cn1 ZINC000111677758 588766424 /nfs/dbraw/zinc/76/64/24/588766424.db2.gz FNPPPELFOVCHHW-AATRIKPKSA-N 0 0 222.288 2.066 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccccc1 ZINC000234584478 582460425 /nfs/dbraw/zinc/46/04/25/582460425.db2.gz KWMQSPQCPXCPFD-WDEREUQCSA-N 0 0 226.659 2.040 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCC[C@@H](C)CC2 ZINC000234594787 582461207 /nfs/dbraw/zinc/46/12/07/582461207.db2.gz WPUVWTAERXMFBE-IEBDPFPHSA-N 0 0 232.707 2.464 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccccc1 ZINC000234598936 582461553 /nfs/dbraw/zinc/46/15/53/582461553.db2.gz KWMQSPQCPXCPFD-MNOVXSKESA-N 0 0 226.659 2.040 10 0 BEAERN CC(C)C(C)(C)Cn1ccc(=O)c(N)c1 ZINC000713229853 582468276 /nfs/dbraw/zinc/46/82/76/582468276.db2.gz JOMQWKXIXDQKPV-UHFFFAOYSA-N 0 0 208.305 2.113 10 0 BEAERN Nc1nn(CCCOC(F)(F)F)cc1Cl ZINC000713447861 582478638 /nfs/dbraw/zinc/47/86/38/582478638.db2.gz SGXJBOOOXYPMEW-UHFFFAOYSA-N 0 0 243.616 2.045 10 0 BEAERN CC(=O)c1csc([C@H](O)C(C)(C)F)n1 ZINC000757124702 582499375 /nfs/dbraw/zinc/49/93/75/582499375.db2.gz CLUBOWCUJIQXTF-ZETCQYMHSA-N 0 0 217.265 2.127 10 0 BEAERN CC(=O)c1cnc([C@@H](O)C(C)(C)C)s1 ZINC000757125039 582499853 /nfs/dbraw/zinc/49/98/53/582499853.db2.gz DWNFLCOBPMTXQU-MRVPVSSYSA-N 0 0 213.302 2.425 10 0 BEAERN COC(=O)c1cnc([C@H](O)CC(C)C)s1 ZINC000757125827 582500483 /nfs/dbraw/zinc/50/04/83/582500483.db2.gz UJDRNAQSVVHBQN-SSDOTTSWSA-N 0 0 229.301 2.009 10 0 BEAERN CCOC1=N[C@@H]([C@H](C)CC)C(OCC)=NC1 ZINC000757129287 582504497 /nfs/dbraw/zinc/50/44/97/582504497.db2.gz VBCPAUUUYNRNHN-KOLCDFICSA-N 0 0 226.320 2.285 10 0 BEAERN COC(CNc1ccc2c(ccn2C)c1)OC ZINC000757131212 582505781 /nfs/dbraw/zinc/50/57/81/582505781.db2.gz PUWJHSPSVVEMCO-UHFFFAOYSA-N 0 0 234.299 2.209 10 0 BEAERN Cc1cc(C[C@H]2CCNC2=O)ccc1Cl ZINC000757159453 582540257 /nfs/dbraw/zinc/54/02/57/582540257.db2.gz OTHUALWFTSZATB-SNVBAGLBSA-N 0 0 223.703 2.327 10 0 BEAERN Cc1cc(C[C@@H]2CCNC2=O)ccc1Cl ZINC000757159439 582540341 /nfs/dbraw/zinc/54/03/41/582540341.db2.gz OTHUALWFTSZATB-JTQLQIEISA-N 0 0 223.703 2.327 10 0 BEAERN CC[C@H](SCc1occc1C)C(N)=O ZINC000757163736 582544875 /nfs/dbraw/zinc/54/48/75/582544875.db2.gz DPYQQQBTPXXQQZ-VIFPVBQESA-N 0 0 213.302 2.085 10 0 BEAERN COC[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757164373 582546216 /nfs/dbraw/zinc/54/62/16/582546216.db2.gz FQIABZCFFIUVFR-SSDOTTSWSA-N 0 0 236.720 2.174 10 0 BEAERN CCOC(=O)CSCc1occc1C ZINC000757166099 582548278 /nfs/dbraw/zinc/54/82/78/582548278.db2.gz OLDYVQDQPJYALO-UHFFFAOYSA-N 0 0 214.286 2.384 10 0 BEAERN CCC1(CC)[C@@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168648 582549278 /nfs/dbraw/zinc/54/92/78/582549278.db2.gz KGSZBYSUAKPKHK-UWVGGRQHSA-N 0 0 243.347 2.451 10 0 BEAERN Clc1ccc(CS[C@H]2CNOC2)o1 ZINC000757169947 582549987 /nfs/dbraw/zinc/54/99/87/582549987.db2.gz NLSYFQKDANMUFK-ZETCQYMHSA-N 0 0 219.693 2.070 10 0 BEAERN CC[C@@H](SCc1ccc(Cl)o1)C(N)=O ZINC000757170536 582550802 /nfs/dbraw/zinc/55/08/02/582550802.db2.gz QLXMWQVUOZTVNY-SSDOTTSWSA-N 0 0 233.720 2.430 10 0 BEAERN Cc1cc(=S)n(-c2ccc(O)cc2)[nH]1 ZINC000757170413 582550839 /nfs/dbraw/zinc/55/08/39/582550839.db2.gz AYLVCXVLHQMNNX-UHFFFAOYSA-N 0 0 206.270 2.175 10 0 BEAERN CC(C)c1nn(-c2ccc(O)cc2)cc1N ZINC000757171639 582551084 /nfs/dbraw/zinc/55/10/84/582551084.db2.gz URIJWYMHKRGSBW-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN [NH3+]CC1(c2ccccc2C(=O)[O-])CC(F)(F)C1 ZINC000757189378 582555864 /nfs/dbraw/zinc/55/58/64/582555864.db2.gz HCJFNCSAECXZTH-UHFFFAOYSA-N 0 0 241.237 2.010 10 0 BEAERN C[C@H]1C[C@H](C(CO)CO)CC(C)(C)C1 ZINC000757193517 582557699 /nfs/dbraw/zinc/55/76/99/582557699.db2.gz VTKIRIRLMIWFLL-UWVGGRQHSA-N 0 0 200.322 2.050 10 0 BEAERN Cc1cc(Cl)cc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])c1 ZINC000757195137 582557977 /nfs/dbraw/zinc/55/79/77/582557977.db2.gz ZXAJNVFMPZMGFQ-GHMZBOCLSA-N 0 0 239.702 2.036 10 0 BEAERN CC(=O)c1cccc([C@@H]2CC[C@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757213245 582560818 /nfs/dbraw/zinc/56/08/18/582560818.db2.gz IVHXNZVNZCEIKV-STQMWFEESA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213258 582561109 /nfs/dbraw/zinc/56/11/09/582561109.db2.gz IYEDCEOIDRVSOW-BXKDBHETSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@@H]1CC[NH2+]C[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757217838 582561829 /nfs/dbraw/zinc/56/18/29/582561829.db2.gz SPRMXUYRSNGPMX-BXKDBHETSA-N 0 0 219.284 2.098 10 0 BEAERN Nc1cnn(C[C@H]2CCCC(F)(F)C2)c1 ZINC000300868653 582594363 /nfs/dbraw/zinc/59/43/63/582594363.db2.gz LNXQCSDPDLVWSJ-QMMMGPOBSA-N 0 0 215.247 2.291 10 0 BEAERN Cc1c(-c2ccncc2)nn2c1NCCC2 ZINC000235845079 582615056 /nfs/dbraw/zinc/61/50/56/582615056.db2.gz RSEWUCIFTGCCAM-UHFFFAOYSA-N 0 0 214.272 2.069 10 0 BEAERN CC(C)(C)OC(=O)NCCC(=O)C1CCC1 ZINC000114500142 582634215 /nfs/dbraw/zinc/63/42/15/582634215.db2.gz CUQXDVAKSCRELW-UHFFFAOYSA-N 0 0 227.304 2.270 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccc(C)s1 ZINC000234589821 582641875 /nfs/dbraw/zinc/64/18/75/582641875.db2.gz IUGCWNAMQFNPGR-NXEZZACHSA-N 0 0 246.715 2.410 10 0 BEAERN Cc1cc(C[C@H](O)c2cn[nH]c2)cs1 ZINC000306526901 582653398 /nfs/dbraw/zinc/65/33/98/582653398.db2.gz WAGBDVHSNKEGDB-JTQLQIEISA-N 0 0 208.286 2.056 10 0 BEAERN O[C@H](CCc1ccccc1)c1cn[nH]c1 ZINC000379804666 582683659 /nfs/dbraw/zinc/68/36/59/582683659.db2.gz NMAMKQLVXBXTMN-GFCCVEGCSA-N 0 0 202.257 2.076 10 0 BEAERN C[C@@H]1CCC[C@H](n2cccc(N)c2=O)C1 ZINC000725249109 582741256 /nfs/dbraw/zinc/74/12/56/582741256.db2.gz IYVKCUWOOKBTJN-ZJUUUORDSA-N 0 0 206.289 2.182 10 0 BEAERN O=C(Cc1ccsc1)OCCc1cccnc1 ZINC000113666053 588848168 /nfs/dbraw/zinc/84/81/68/588848168.db2.gz HMUPNLJEZAJYLK-UHFFFAOYSA-N 0 0 247.319 2.472 10 0 BEAERN CCOCCCC(=O)OCc1ccoc1C ZINC000113678311 588848217 /nfs/dbraw/zinc/84/82/17/588848217.db2.gz DJORJTIRYLPDNR-UHFFFAOYSA-N 0 0 226.272 2.448 10 0 BEAERN Cc1noc(C)c1C(=O)OCCc1cccnc1 ZINC000113666162 588848265 /nfs/dbraw/zinc/84/82/65/588848265.db2.gz LCGLZTGMGOWJPI-UHFFFAOYSA-N 0 0 246.266 2.086 10 0 BEAERN CSC[C@@H](C)C(=O)OCCc1cccnc1 ZINC000113665652 588848289 /nfs/dbraw/zinc/84/82/89/588848289.db2.gz JVVJJIASCQBURK-SNVBAGLBSA-N 0 0 239.340 2.166 10 0 BEAERN CSC[C@H](C)C(=O)OCCc1cccnc1 ZINC000113665650 588848307 /nfs/dbraw/zinc/84/83/07/588848307.db2.gz JVVJJIASCQBURK-JTQLQIEISA-N 0 0 239.340 2.166 10 0 BEAERN O=C(CCc1ccncc1)OC[C@H]1CCCCO1 ZINC000123331681 582807057 /nfs/dbraw/zinc/80/70/57/582807057.db2.gz OJLNSBGRTWVYME-CYBMUJFWSA-N 0 0 249.310 2.127 10 0 BEAERN CCOC(=O)c1nn(C(C)C)c(N)c1C(C)C ZINC000260741189 582881419 /nfs/dbraw/zinc/88/14/19/582881419.db2.gz OWABZFAGVNPCNW-UHFFFAOYSA-N 0 0 239.319 2.346 10 0 BEAERN O=Cc1cc(Cl)ccc1-n1ccnc1 ZINC000113918047 588860005 /nfs/dbraw/zinc/86/00/05/588860005.db2.gz ZYIZBCASHMJBLX-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CCOC(=O)c1noc([C@H](C)C2CCC2)n1 ZINC000703090078 582931095 /nfs/dbraw/zinc/93/10/95/582931095.db2.gz RTJNTHTWMQQCSF-SSDOTTSWSA-N 0 0 224.260 2.150 10 0 BEAERN C[C@@H](C(=O)C(C)(C)C)C(=O)C(C)(F)F ZINC000395455388 583058376 /nfs/dbraw/zinc/05/83/76/583058376.db2.gz JCFQFTDJDQZJGN-LURJTMIESA-N 0 0 206.232 2.462 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]1(CC)C1CCCC1 ZINC000395783672 583068163 /nfs/dbraw/zinc/06/81/63/583068163.db2.gz ROFMEHFHULHEGS-PWSUYJOCSA-N 0 0 212.289 2.287 10 0 BEAERN CC(F)(F)C(=O)C=C(O)[C@@H]1CC1(C)C ZINC000397687838 583106601 /nfs/dbraw/zinc/10/66/01/583106601.db2.gz NSYRWXCLNOYCRA-LURJTMIESA-N 0 0 204.216 2.216 10 0 BEAERN CC[C@H](C(=O)[C@@H]1CC1(C)C)C(OC)OC ZINC000397730886 583107717 /nfs/dbraw/zinc/10/77/17/583107717.db2.gz YJEQJSLRNWMANJ-BDAKNGLRSA-N 0 0 214.305 2.247 10 0 BEAERN CCN(Cc1cccs1)c1ncc(C=O)cn1 ZINC000126286079 583206123 /nfs/dbraw/zinc/20/61/23/583206123.db2.gz FRXDOXJEDMLUGU-UHFFFAOYSA-N 0 0 247.323 2.377 10 0 BEAERN Cc1nc2n(n1)[C@@H](c1sccc1C)CCN2 ZINC000236035908 583210700 /nfs/dbraw/zinc/21/07/00/583210700.db2.gz UWHVEOCPRJGFCI-SECBINFHSA-N 0 0 234.328 2.361 10 0 BEAERN CCOC(=O)/C=C1/CCCc2cccnc21 ZINC000115904735 588935377 /nfs/dbraw/zinc/93/53/77/588935377.db2.gz SDJWACIISYQUDN-LUAWRHEFSA-N 0 0 217.268 2.364 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000250665650 583964686 /nfs/dbraw/zinc/96/46/86/583964686.db2.gz IEPDPPBQRRGFFG-DTHBNOIPSA-N 0 0 212.289 2.143 10 0 BEAERN CC1CC(C(=O)Nc2c[nH]nc2Cl)C1 ZINC000897645478 584034018 /nfs/dbraw/zinc/03/40/18/584034018.db2.gz MOKVMKQIYHYJDB-UHFFFAOYSA-N 0 0 213.668 2.048 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCC(C)(C)C[C@H]2C ZINC000088133568 584907443 /nfs/dbraw/zinc/90/74/43/584907443.db2.gz AHSHWKJIDFQMMA-PTRXPTGYSA-N 0 0 212.289 2.143 10 0 BEAERN CC(=O)[C@H]1Cc2c(Cl)cccc2C(=O)O1 ZINC000125229911 584946536 /nfs/dbraw/zinc/94/65/36/584946536.db2.gz JVAOGYIGLSPGLE-SNVBAGLBSA-N 0 0 224.643 2.011 10 0 BEAERN CC(=O)OCCCCSC1CCOCC1 ZINC000131633560 585025428 /nfs/dbraw/zinc/02/54/28/585025428.db2.gz KHNFBVVBNYJVDS-UHFFFAOYSA-N 0 0 232.345 2.242 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)C1CCC1 ZINC000323806906 585029065 /nfs/dbraw/zinc/02/90/65/585029065.db2.gz HKPBXUPOIXPQFT-SECBINFHSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21 ZINC000231501560 585030054 /nfs/dbraw/zinc/03/00/54/585030054.db2.gz MOTKQUFMKZGIBV-GRYCIOLGSA-N 0 0 239.359 2.496 10 0 BEAERN C1CC1[C@@H]1CCNc2c3c(nn21)NCCC3 ZINC000232451843 585031061 /nfs/dbraw/zinc/03/10/61/585031061.db2.gz WVSMXWMCWAKHAW-JTQLQIEISA-N 0 0 218.304 2.008 10 0 BEAERN CO[C@H](C)C(=O)O[C@H](c1ccccn1)C(C)C ZINC000121322563 585043967 /nfs/dbraw/zinc/04/39/67/585043967.db2.gz WZLLYYVDKBEWBY-PWSUYJOCSA-N 0 0 237.299 2.357 10 0 BEAERN COC[C@H](C)C(=O)NC1CCCCCCC1 ZINC000103357256 585096606 /nfs/dbraw/zinc/09/66/06/585096606.db2.gz LUJZMSFEKSWZFF-NSHDSACASA-N 0 0 227.348 2.498 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCCCCC1 ZINC000103357900 585096909 /nfs/dbraw/zinc/09/69/09/585096909.db2.gz NXWVUTDAJKFCNI-LLVKDONJSA-N 0 0 213.321 2.062 10 0 BEAERN CC[C@H](C)OC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000103666243 586287188 /nfs/dbraw/zinc/28/71/88/586287188.db2.gz QYOKXIJNLCRXPU-JOYOIKCWSA-N 0 0 248.278 2.110 10 0 BEAERN CCCCCn1nnc2c1ncnc2Cl ZINC000757566896 586306238 /nfs/dbraw/zinc/30/62/38/586306238.db2.gz LIVFMYNULQQZGH-UHFFFAOYSA-N 0 0 225.683 2.065 10 0 BEAERN CCCCCCn1nnc2c1nc[nH]c2=S ZINC000757568839 586339009 /nfs/dbraw/zinc/33/90/09/586339009.db2.gz OEBFVLRPMSTHMN-UHFFFAOYSA-N 0 0 237.332 2.090 10 0 BEAERN CC(=O)c1cc(C(=O)OC[C@@H]2C[C@H]2C)n(C)c1 ZINC000103686905 586410929 /nfs/dbraw/zinc/41/09/29/586410929.db2.gz INMQABCBFTWDEK-KCJUWKMLSA-N 0 0 235.283 2.041 10 0 BEAERN COc1ccc(N)c2cc(Cl)ncc12 ZINC000757176026 586433020 /nfs/dbraw/zinc/43/30/20/586433020.db2.gz VSFAQKRIVLQGFX-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN CN1CCC[C@H]1C(=O)c1c[nH]c2cc(N)ccc12 ZINC000757177932 586433749 /nfs/dbraw/zinc/43/37/49/586433749.db2.gz OPTAJUWOPANGJB-ZDUSSCGKSA-N 0 0 243.310 2.027 10 0 BEAERN [NH3+][C@@H]1CCC2(CC2)c2cc(C(=O)[O-])ccc21 ZINC000757187058 586434494 /nfs/dbraw/zinc/43/44/94/586434494.db2.gz JOYAZWMMNNCPKQ-LLVKDONJSA-N 0 0 217.268 2.210 10 0 BEAERN CCOC(=O)/C=C1/CC[C@H](C)SC1 ZINC000757189417 586434941 /nfs/dbraw/zinc/43/49/41/586434941.db2.gz HKKXXYMAXQKVLE-HWPCKVLBSA-N 0 0 200.303 2.391 10 0 BEAERN COC(=O)[C@H](CO)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000757190518 586435523 /nfs/dbraw/zinc/43/55/23/586435523.db2.gz ACKKQGFNNBELHH-GMTAPVOTSA-N 0 0 228.332 2.230 10 0 BEAERN COC(=O)[C@H](CO)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000757190523 586435641 /nfs/dbraw/zinc/43/56/41/586435641.db2.gz ACKKQGFNNBELHH-OUAUKWLOSA-N 0 0 228.332 2.230 10 0 BEAERN CCc1cc(Cl)cc2c1NC(=O)C2=O ZINC000757191698 586436104 /nfs/dbraw/zinc/43/61/04/586436104.db2.gz UEWQPVNEZVSSJQ-UHFFFAOYSA-N 0 0 209.632 2.037 10 0 BEAERN Nc1cnc(-c2ccc(C(F)F)o2)nc1 ZINC000757194212 586436237 /nfs/dbraw/zinc/43/62/37/586436237.db2.gz AWPMTZSXXLWKRO-UHFFFAOYSA-N 0 0 211.171 2.256 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757207044 586437280 /nfs/dbraw/zinc/43/72/80/586437280.db2.gz AUSNRBYTVVTELO-OASPWFOLSA-N 0 0 247.294 2.013 10 0 BEAERN CCC(=O)OCC(C)(C)Br ZINC000757208185 586437714 /nfs/dbraw/zinc/43/77/14/586437714.db2.gz FSJVEGOOUGHAGR-UHFFFAOYSA-N 0 0 209.083 2.113 10 0 BEAERN CC(C)(Br)COC(=O)c1cnco1 ZINC000757207243 586437801 /nfs/dbraw/zinc/43/78/01/586437801.db2.gz BQDZIFXKNWTYAX-UHFFFAOYSA-N 0 0 248.076 2.005 10 0 BEAERN C[C@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC000757208606 586438029 /nfs/dbraw/zinc/43/80/29/586438029.db2.gz AAGAQZPSIOMYGL-JOYOIKCWSA-N 0 0 219.284 2.240 10 0 BEAERN O=C([O-])[C@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217665 586441641 /nfs/dbraw/zinc/44/16/41/586441641.db2.gz RXJDQERRRBFUNA-CMPLNLGQSA-N 0 0 244.294 2.293 10 0 BEAERN O=C([O-])[C@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220831 586442875 /nfs/dbraw/zinc/44/28/75/586442875.db2.gz ZONYZLHPLKQGCA-JQWIXIFHSA-N 0 0 244.294 2.293 10 0 BEAERN C[C@@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)C[NH2+]1 ZINC000757232521 586443110 /nfs/dbraw/zinc/44/31/10/586443110.db2.gz IOTVRYFNVZHNNT-SKDRFNHKSA-N 0 0 219.284 2.240 10 0 BEAERN Cc1sc([C@@H]2C[NH2+]C[C@H](C)C2)cc1C(=O)[O-] ZINC000757237547 586443584 /nfs/dbraw/zinc/44/35/84/586443584.db2.gz QFQGVUIRXKLJAI-APPZFPTMSA-N 0 0 239.340 2.468 10 0 BEAERN C[C@@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237592 586443783 /nfs/dbraw/zinc/44/37/83/586443783.db2.gz QHBQTHCVUULJEL-SKDRFNHKSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@@H]1CCC[NH2+][C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757239382 586444172 /nfs/dbraw/zinc/44/41/72/586444172.db2.gz UAEZKLIZUVUYJC-SKDRFNHKSA-N 0 0 219.284 2.445 10 0 BEAERN CN(C)c1nc(-c2ccco2)nc2[nH]ccc21 ZINC000757563903 586461310 /nfs/dbraw/zinc/46/13/10/586461310.db2.gz ACRMNGBQDQKVRK-UHFFFAOYSA-N 0 0 228.255 2.284 10 0 BEAERN NC(=O)c1ccc(-c2csc(C=O)c2)cc1 ZINC000757565817 586461775 /nfs/dbraw/zinc/46/17/75/586461775.db2.gz BOVLLAGRUWBRNJ-UHFFFAOYSA-N 0 0 231.276 2.327 10 0 BEAERN CNc1nc(CC(C)C)nc2[nH]ccc21 ZINC000757570553 586462515 /nfs/dbraw/zinc/46/25/15/586462515.db2.gz XLSBYUNIKIVUTB-UHFFFAOYSA-N 0 0 204.277 2.150 10 0 BEAERN CC[C@H](O)c1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757570882 586462677 /nfs/dbraw/zinc/46/26/77/586462677.db2.gz ZLVKXOLFONQBNV-VIFPVBQESA-N 0 0 234.303 2.222 10 0 BEAERN Nc1cc(F)cnc1-c1cccc(F)c1C=O ZINC000757571507 586462736 /nfs/dbraw/zinc/46/27/36/586462736.db2.gz LFBURMNHSCLWRF-UHFFFAOYSA-N 0 0 234.205 2.422 10 0 BEAERN Cc1nc(COC(=O)/C=C/C(C)(C)C)no1 ZINC000117086589 589074413 /nfs/dbraw/zinc/07/44/13/589074413.db2.gz QRWNJTHQGVTPHC-AATRIKPKSA-N 0 0 224.260 2.024 10 0 BEAERN Cc1ccccc1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121365927 587393177 /nfs/dbraw/zinc/39/31/77/587393177.db2.gz MXWLFIJVPBNSGQ-PWSUYJOCSA-N 0 0 220.268 2.468 10 0 BEAERN CCOCCC(=O)OC[C@H]1CC=CCC1 ZINC000102847790 587884422 /nfs/dbraw/zinc/88/44/22/587884422.db2.gz AQHBQVYYOXNWKW-NSHDSACASA-N 0 0 212.289 2.313 10 0 BEAERN CCOCCOCC(=O)OCCC1CCCC1 ZINC000105767687 588222166 /nfs/dbraw/zinc/22/21/66/588222166.db2.gz VPSOCZNMYHNOGL-UHFFFAOYSA-N 0 0 244.331 2.163 10 0 BEAERN CCCOCCOC(=O)Cc1ccccc1F ZINC000107413151 588362577 /nfs/dbraw/zinc/36/25/77/588362577.db2.gz VSYUBRQCSGLPCR-UHFFFAOYSA-N 0 0 240.274 2.338 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)C2=COCCC2)C1 ZINC000107425486 588364150 /nfs/dbraw/zinc/36/41/50/588364150.db2.gz XQTIPWRSPCLNHY-RYUDHWBXSA-N 0 0 240.299 2.182 10 0 BEAERN CCOCC(=O)OC[C@H]1CCc2ccccc21 ZINC000107881981 588414968 /nfs/dbraw/zinc/41/49/68/588414968.db2.gz ZCYJVMBMLLHCOB-GFCCVEGCSA-N 0 0 234.295 2.296 10 0 BEAERN COC[C@@H](C)C(=O)OCCc1ccccc1F ZINC000108627212 588479363 /nfs/dbraw/zinc/47/93/63/588479363.db2.gz GJRUFLLTGGXKBN-SNVBAGLBSA-N 0 0 240.274 2.194 10 0 BEAERN CSC[C@H](C)C(=O)OC[C@@H]1C[C@H]1C ZINC000109039499 588512713 /nfs/dbraw/zinc/51/27/13/588512713.db2.gz UKXBHQXGKPLVKB-VGMNWLOBSA-N 0 0 202.319 2.185 10 0 BEAERN O=C(COC(=O)C1CCCCCC1)C1CC1 ZINC000109373198 588558239 /nfs/dbraw/zinc/55/82/39/588558239.db2.gz NVBTXQLJTBWXAE-UHFFFAOYSA-N 0 0 224.300 2.479 10 0 BEAERN CCCCO[C@H](C)C(=O)OCC1(CC)COC1 ZINC000118984506 589226518 /nfs/dbraw/zinc/22/65/18/589226518.db2.gz HDOJVLJCRUSKTC-LLVKDONJSA-N 0 0 244.331 2.161 10 0 BEAERN CC/C=C/COC(=O)CCC(=O)N(CC)CC ZINC000120609542 589444738 /nfs/dbraw/zinc/44/47/38/589444738.db2.gz MLCUMKFGDDQZBG-BQYQJAHWSA-N 0 0 241.331 2.144 10 0 BEAERN CCN(CC)C(=O)CCC(=O)OCC(C)(C)C ZINC000121062139 589492286 /nfs/dbraw/zinc/49/22/86/589492286.db2.gz SQBUQLXVGATLBT-UHFFFAOYSA-N 0 0 243.347 2.224 10 0 BEAERN COCCC1(C(=O)OC2CCC2)CCC1 ZINC000121605928 589520663 /nfs/dbraw/zinc/52/06/63/589520663.db2.gz ZYXPWOIRPJTPJU-UHFFFAOYSA-N 0 0 212.289 2.289 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCc2ccccc2F)O1 ZINC000122269946 589574343 /nfs/dbraw/zinc/57/43/43/589574343.db2.gz TVLDCHOTAQAAGQ-BXKDBHETSA-N 0 0 238.258 2.436 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCc2ccc(F)cc2)O1 ZINC000122304146 589577511 /nfs/dbraw/zinc/57/75/11/589577511.db2.gz BPTGJSTYPHBUIC-CABZTGNLSA-N 0 0 238.258 2.436 10 0 BEAERN Cc1ccc(F)cc1C(=O)OCc1nccn1C ZINC000122725310 589624729 /nfs/dbraw/zinc/62/47/29/589624729.db2.gz PVDXYMQFROBYAV-UHFFFAOYSA-N 0 0 248.257 2.225 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)c2cccnc2)C1 ZINC000123135754 589665812 /nfs/dbraw/zinc/66/58/12/589665812.db2.gz OQWNDBHARXTAPE-VXGBXAGGSA-N 0 0 235.283 2.196 10 0 BEAERN CCOCCOCC(=O)OC1CCCCCC1 ZINC000123383592 589695264 /nfs/dbraw/zinc/69/52/64/589695264.db2.gz HAVSDMRTWCGHEY-UHFFFAOYSA-N 0 0 244.331 2.306 10 0 BEAERN CCOCCOCC(=O)O[C@H]1CCC[C@H](C)C1 ZINC000123397294 589695812 /nfs/dbraw/zinc/69/58/12/589695812.db2.gz KBQKLIUOWJRFPH-RYUDHWBXSA-N 0 0 244.331 2.161 10 0 BEAERN CCOCCOCC(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000123397711 589696102 /nfs/dbraw/zinc/69/61/02/589696102.db2.gz KBQKLIUOWJRFPH-NEPJUHHUSA-N 0 0 244.331 2.161 10 0 BEAERN COc1ccc(N)cc1C(=O)O[C@H](C)C(C)C ZINC000123526948 589746948 /nfs/dbraw/zinc/74/69/48/589746948.db2.gz MTUHSKZYFGDRFF-SECBINFHSA-N 0 0 237.299 2.479 10 0 BEAERN CNC(=S)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000123839418 589826626 /nfs/dbraw/zinc/82/66/26/589826626.db2.gz HNMKMMOBROBAQK-ZJUUUORDSA-N 0 0 214.378 2.297 10 0 BEAERN Nc1cc(-c2cc3c(s2)CCC3)[nH]n1 ZINC000019424226 589908349 /nfs/dbraw/zinc/90/83/49/589908349.db2.gz UCBWMHPYBBGMQK-UHFFFAOYSA-N 0 0 205.286 2.209 10 0 BEAERN Cc1conc1NC(=O)CSC(C)(C)C ZINC000124040874 589914370 /nfs/dbraw/zinc/91/43/70/589914370.db2.gz QNZMJLMNAKYZFD-UHFFFAOYSA-N 0 0 228.317 2.453 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCC(C)(C)C)O1 ZINC000124098204 589940833 /nfs/dbraw/zinc/94/08/33/589940833.db2.gz IVKSNAAWAJTJKN-BDAKNGLRSA-N 0 0 200.278 2.143 10 0 BEAERN CCc1c(N)n[nH]c1-c1cccc(F)c1 ZINC000019688915 589971538 /nfs/dbraw/zinc/97/15/38/589971538.db2.gz GITFHXIFBMCGBR-UHFFFAOYSA-N 0 0 205.236 2.360 10 0 BEAERN CCCCSCCC(=O)OC[C@@H]1CCOC1 ZINC000124281443 589972680 /nfs/dbraw/zinc/97/26/80/589972680.db2.gz YVMWWOFPYSWLNC-LLVKDONJSA-N 0 0 246.372 2.490 10 0 BEAERN C[C@H](N[C@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000019876643 590025464 /nfs/dbraw/zinc/02/54/64/590025464.db2.gz LFUQTFCTNYIXKM-KWQFWETISA-N 0 0 239.702 2.306 10 0 BEAERN C[C@H](N[C@@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000019876641 590025523 /nfs/dbraw/zinc/02/55/23/590025523.db2.gz LFUQTFCTNYIXKM-GZMMTYOYSA-N 0 0 239.702 2.306 10 0 BEAERN FC(F)Cn1ccc(NCc2ccoc2)n1 ZINC000124544941 590048976 /nfs/dbraw/zinc/04/89/76/590048976.db2.gz YCKOLADPIDRJQG-UHFFFAOYSA-N 0 0 227.214 2.353 10 0 BEAERN CCOc1cccnc1C(=O)OCC(F)(F)F ZINC000124550099 590050379 /nfs/dbraw/zinc/05/03/79/590050379.db2.gz ROKUSHKXLFLAFU-UHFFFAOYSA-N 0 0 249.188 2.199 10 0 BEAERN Cn1ccc(COc2ccc(Cl)nc2)n1 ZINC000124635208 590067936 /nfs/dbraw/zinc/06/79/36/590067936.db2.gz XYNIDJVYEDCDFE-UHFFFAOYSA-N 0 0 223.663 2.048 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Oc2ccc(F)cc2)O1 ZINC000124781035 590084603 /nfs/dbraw/zinc/08/46/03/590084603.db2.gz HNAAXNLWHILJQL-KCJUWKMLSA-N 0 0 224.231 2.299 10 0 BEAERN C[C@H](O)c1ccc(N(C)CC2CCC2)nc1 ZINC000124936438 590102490 /nfs/dbraw/zinc/10/24/90/590102490.db2.gz SGIZPAFHYRITTC-JTQLQIEISA-N 0 0 220.316 2.371 10 0 BEAERN CCCNC(=S)NC[C@H](C)C(C)C ZINC000125367125 590162854 /nfs/dbraw/zinc/16/28/54/590162854.db2.gz PIDIDKWDTPOFBF-VIFPVBQESA-N 0 0 202.367 2.153 10 0 BEAERN COCCC1(C(=O)O[C@@H](C)C(C)C)CC1 ZINC000125538961 590167984 /nfs/dbraw/zinc/16/79/84/590167984.db2.gz ATXFRWQWQNRWJW-JTQLQIEISA-N 0 0 214.305 2.391 10 0 BEAERN Cc1occc1COC(=O)Cc1ccoc1 ZINC000125817942 590191487 /nfs/dbraw/zinc/19/14/87/590191487.db2.gz MAYQKGHMYBWMPE-UHFFFAOYSA-N 0 0 220.224 2.467 10 0 BEAERN Nc1cccc(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC000021518768 590191828 /nfs/dbraw/zinc/19/18/28/590191828.db2.gz WTBKKYSNEXAILP-LLVKDONJSA-N 0 0 245.282 2.040 10 0 BEAERN CC(C)[C@@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125846268 590193278 /nfs/dbraw/zinc/19/32/78/590193278.db2.gz FYQQBLSNOGJPJI-SNVBAGLBSA-N 0 0 236.315 2.421 10 0 BEAERN COC[C@H](Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000126002292 590213053 /nfs/dbraw/zinc/21/30/53/590213053.db2.gz MIZLQGSRISOOOJ-LBPRGKRZSA-N 0 0 249.310 2.295 10 0 BEAERN CCC(CC)OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000126461476 590313242 /nfs/dbraw/zinc/31/32/42/590313242.db2.gz ZVVSWZIHSMXBDG-WPRPVWTQSA-N 0 0 200.278 2.286 10 0 BEAERN CC(C)CC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000126692537 590416705 /nfs/dbraw/zinc/41/67/05/590416705.db2.gz JSXQDWBODOCBTA-ZMLRMANQSA-N 0 0 226.316 2.389 10 0 BEAERN CC1(OC(=O)Cc2cn3ccccc3n2)CCC1 ZINC000126699203 590418429 /nfs/dbraw/zinc/41/84/29/590418429.db2.gz ZSCHRJNXAMKFJB-UHFFFAOYSA-N 0 0 244.294 2.363 10 0 BEAERN O=C(COC(=O)C1=CCCCCC1)C1CC1 ZINC000126850512 590473698 /nfs/dbraw/zinc/47/36/98/590473698.db2.gz KGQPODWJXDWMBV-UHFFFAOYSA-N 0 0 222.284 2.399 10 0 BEAERN CCN(CC)C(=O)CCC(=O)OC1(C)CCC1 ZINC000127245947 590600597 /nfs/dbraw/zinc/60/05/97/590600597.db2.gz OACUOEMZVHCHJW-UHFFFAOYSA-N 0 0 241.331 2.121 10 0 BEAERN CC(C)[C@H](C)OC(=O)C1CCOCC1 ZINC000127316286 590615649 /nfs/dbraw/zinc/61/56/49/590615649.db2.gz ODFIPGFXFPNEFA-VIFPVBQESA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000127393611 590636240 /nfs/dbraw/zinc/63/62/40/590636240.db2.gz MYOMPOWULHYEFX-UWVGGRQHSA-N 0 0 243.347 2.125 10 0 BEAERN CC1(CC(=O)OCCCC(N)=O)CCCCC1 ZINC000127560106 590706025 /nfs/dbraw/zinc/70/60/25/590706025.db2.gz QUFAGPHIZUBNSU-UHFFFAOYSA-N 0 0 241.331 2.156 10 0 BEAERN CCCC(CCC)C(=O)OCCCC(N)=O ZINC000127561560 590711476 /nfs/dbraw/zinc/71/14/76/590711476.db2.gz TXTJFEMDLZTRRA-UHFFFAOYSA-N 0 0 229.320 2.012 10 0 BEAERN CCC1(COC(=O)C(C2CC2)C2CC2)COC1 ZINC000127760623 590769995 /nfs/dbraw/zinc/76/99/95/590769995.db2.gz DJRWHGMJAASPIQ-UHFFFAOYSA-N 0 0 238.327 2.392 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC1(C)C)C1CCOCC1 ZINC000127789127 590777328 /nfs/dbraw/zinc/77/73/28/590777328.db2.gz MWKNETYBJHKXHG-GXSJLCMTSA-N 0 0 226.316 2.391 10 0 BEAERN CSCC[C@H](C)NC(=O)OC(C)C ZINC000127802862 590788371 /nfs/dbraw/zinc/78/83/71/590788371.db2.gz CXXBTUFAAARGJK-QMMMGPOBSA-N 0 0 205.323 2.263 10 0 BEAERN CCCCCC[C@H](C)NC(=O)N(C)[C@@H](C)CO ZINC000127826071 590794907 /nfs/dbraw/zinc/79/49/07/590794907.db2.gz KZRRJEBSROEMHE-RYUDHWBXSA-N 0 0 244.379 2.368 10 0 BEAERN CSCCCC(=O)OC[C@H]1CCCCO1 ZINC000127968863 590856418 /nfs/dbraw/zinc/85/64/18/590856418.db2.gz ADHWIDCSHBAMNK-SNVBAGLBSA-N 0 0 232.345 2.242 10 0 BEAERN C=COCCOC(=O)CCC(=O)c1ccccc1 ZINC000128348551 591001173 /nfs/dbraw/zinc/00/11/73/591001173.db2.gz IJQXOZVDTMHSKP-UHFFFAOYSA-N 0 0 248.278 2.353 10 0 BEAERN C=COCCOC(=O)CCc1ccc(F)cc1 ZINC000128395244 591017927 /nfs/dbraw/zinc/01/79/27/591017927.db2.gz XSDPEZQVFGAGME-UHFFFAOYSA-N 0 0 238.258 2.462 10 0 BEAERN C[C@@H](O)c1ccn(Cc2cc(F)ccc2F)n1 ZINC000128664915 591148306 /nfs/dbraw/zinc/14/83/06/591148306.db2.gz USZDKACOGIMBHF-MRVPVSSYSA-N 0 0 238.237 2.263 10 0 BEAERN CCOCCCNC(=S)NC1(CC)CCC1 ZINC000129049489 591225843 /nfs/dbraw/zinc/22/58/43/591225843.db2.gz ULKIQRIWGJCAEC-UHFFFAOYSA-N 0 0 244.404 2.210 10 0 BEAERN CCc1cc(C(=O)O[C@H]2CCOC2)oc1CC ZINC000129184539 591266919 /nfs/dbraw/zinc/26/69/19/591266919.db2.gz ZAJSXXZWPMOUHI-JTQLQIEISA-N 0 0 238.283 2.350 10 0 BEAERN Cc1cc(-c2cn(C)nc2C(C)C)cnc1N ZINC000129758157 591393605 /nfs/dbraw/zinc/39/36/05/591393605.db2.gz ONJJYUURQFIGOZ-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN C[C@@H](O)c1ccc(N(C)Cc2cccnc2)nc1 ZINC000213221978 591455384 /nfs/dbraw/zinc/45/53/84/591455384.db2.gz LMFLVDXRBRXCOR-LLVKDONJSA-N 0 0 243.310 2.166 10 0 BEAERN CCCOC(=O)[C@H](C)SC1CCOCC1 ZINC000130990283 591539079 /nfs/dbraw/zinc/53/90/79/591539079.db2.gz VTLXHQSXQWTMKB-VIFPVBQESA-N 0 0 232.345 2.240 10 0 BEAERN CCOCC(=O)O[C@H]1C[C@H](OC)C1(CC)CC ZINC000131140563 591559241 /nfs/dbraw/zinc/55/92/41/591559241.db2.gz ZUAIGWOSPIYYFS-QWRGUYRKSA-N 0 0 244.331 2.160 10 0 BEAERN CCC[C@@H](N)c1nc([C@@H](CCC)OC)no1 ZINC000131173061 591565263 /nfs/dbraw/zinc/56/52/63/591565263.db2.gz GJZOMBVNQOUUNW-RKDXNWHRSA-N 0 0 227.308 2.357 10 0 BEAERN CCC1(CC)[C@@H](OC)C[C@@H]1OC(C)=O ZINC000131219899 591572781 /nfs/dbraw/zinc/57/27/81/591572781.db2.gz FTBYRHMCZMWDCH-UWVGGRQHSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CCCCO1)C(F)(F)F ZINC000131745118 591649535 /nfs/dbraw/zinc/64/95/35/591649535.db2.gz PZFZLVZJGZPPSP-BQBZGAKWSA-N 0 0 226.194 2.050 10 0 BEAERN CC(C)c1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000131938343 591677890 /nfs/dbraw/zinc/67/78/90/591677890.db2.gz IKXFHCPEVSFECB-QMMMGPOBSA-N 0 0 245.369 2.169 10 0 BEAERN Cc1c(N)n[nH]c1-c1cccc(C)c1F ZINC000131944541 591678100 /nfs/dbraw/zinc/67/81/00/591678100.db2.gz HXEISABGCOUPQP-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN CCCNc1cc(N[C@@H](C)COCC)ncn1 ZINC000132028652 591684663 /nfs/dbraw/zinc/68/46/63/591684663.db2.gz GLTHALVESAHSNS-JTQLQIEISA-N 0 0 238.335 2.135 10 0 BEAERN Cc1cncc(C(=O)OCCc2cccnc2)c1 ZINC000132219377 591694651 /nfs/dbraw/zinc/69/46/51/591694651.db2.gz QVAWEUOBZXSZPJ-UHFFFAOYSA-N 0 0 242.278 2.185 10 0 BEAERN C[C@H](OC(=O)/C=C/c1cccnc1)[C@H]1CCOC1 ZINC000132313588 591700338 /nfs/dbraw/zinc/70/03/38/591700338.db2.gz GOAQISGSTXLABG-JQBPPHQNSA-N 0 0 247.294 2.063 10 0 BEAERN COC[C@H](OC(=O)c1scnc1C)C1CC1 ZINC000132324232 591701489 /nfs/dbraw/zinc/70/14/89/591701489.db2.gz HVMXFCVJZOHCMS-VIFPVBQESA-N 0 0 241.312 2.033 10 0 BEAERN CS[C@H](C)C(=O)OCc1nc(C)c(C)o1 ZINC000132745576 591734644 /nfs/dbraw/zinc/73/46/44/591734644.db2.gz POOSIFDTRQTICK-MRVPVSSYSA-N 0 0 229.301 2.086 10 0 BEAERN C[C@H](O)c1ccn(Cc2ccccc2F)n1 ZINC000133701185 591848857 /nfs/dbraw/zinc/84/88/57/591848857.db2.gz CWULVLDTEFZQGM-VIFPVBQESA-N 0 0 220.247 2.124 10 0 BEAERN CC(C)(C)CCOC(=O)c1ncccc1N ZINC000133950797 591869822 /nfs/dbraw/zinc/86/98/22/591869822.db2.gz JTPSQLFTJKRQGK-UHFFFAOYSA-N 0 0 222.288 2.257 10 0 BEAERN CCCc1nnc(NCc2ccoc2)o1 ZINC000134440093 591926936 /nfs/dbraw/zinc/92/69/36/591926936.db2.gz KXLOQRRDPGLDCV-UHFFFAOYSA-N 0 0 207.233 2.227 10 0 BEAERN C[C@H](NCc1ccoc1)C(=O)Nc1ccccc1 ZINC000134528285 591934183 /nfs/dbraw/zinc/93/41/83/591934183.db2.gz IXLBMSLPNNGSLV-NSHDSACASA-N 0 0 244.294 2.396 10 0 BEAERN C[C@@H](NCc1ccoc1)C(=O)Nc1ccccc1 ZINC000134528309 591934460 /nfs/dbraw/zinc/93/44/60/591934460.db2.gz IXLBMSLPNNGSLV-LLVKDONJSA-N 0 0 244.294 2.396 10 0 BEAERN Cc1c(Cl)nnc(N[C@H]2CCO[C@H]2C)c1C ZINC000134583379 591938830 /nfs/dbraw/zinc/93/88/30/591938830.db2.gz ICGAMVVGFKZKPM-IUCAKERBSA-N 0 0 241.722 2.336 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cc(F)ccc1F ZINC000134684482 591946807 /nfs/dbraw/zinc/94/68/07/591946807.db2.gz UYORVRXPITXNPF-UHFFFAOYSA-N 0 0 237.209 2.249 10 0 BEAERN CC[S@](=O)CCNc1ccc2ccccc2n1 ZINC000134711942 591947123 /nfs/dbraw/zinc/94/71/23/591947123.db2.gz DCASGTLCNOKAJM-QGZVFWFLSA-N 0 0 248.351 2.415 10 0 BEAERN CCOC1=N[C@@H](C(C)(C)C)C(OCC)=NC1 ZINC000135751772 592044940 /nfs/dbraw/zinc/04/49/40/592044940.db2.gz PKWUUSBZAJTRRM-SNVBAGLBSA-N 0 0 226.320 2.285 10 0 BEAERN CCOC[C@H](C)NC(=S)NC1CCCCC1 ZINC000136226838 592102773 /nfs/dbraw/zinc/10/27/73/592102773.db2.gz PEPOYSUEXCIJOJ-JTQLQIEISA-N 0 0 244.404 2.208 10 0 BEAERN Cc1ccc(-c2nnc([C@H]3CCCOC3)o2)n1C ZINC000886048079 592140376 /nfs/dbraw/zinc/14/03/76/592140376.db2.gz OEZZEFWBSCHTGP-JTQLQIEISA-N 0 0 247.298 2.278 10 0 BEAERN Cc1ccc(-c2nnc([C@@H]3CCCOC3)o2)n1C ZINC000886048085 592140405 /nfs/dbraw/zinc/14/04/05/592140405.db2.gz OEZZEFWBSCHTGP-SNVBAGLBSA-N 0 0 247.298 2.278 10 0 BEAERN Cc1nccnc1[C@@H](C)NCc1ccccn1 ZINC000219075194 592208241 /nfs/dbraw/zinc/20/82/41/592208241.db2.gz FZVDDJSIEGWNCH-LLVKDONJSA-N 0 0 228.299 2.031 10 0 BEAERN [NH3+]Cc1ccc([C@H](O)c2cccs2)s1 ZINC000075468612 592313226 /nfs/dbraw/zinc/31/32/26/592313226.db2.gz JMPVNIPMSRUIQG-SNVBAGLBSA-N 0 0 225.338 2.350 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)n2ccnc2)CC1 ZINC000300381462 592509364 /nfs/dbraw/zinc/50/93/64/592509364.db2.gz VHZCDVXFCXVXDD-MNOVXSKESA-N 0 0 221.304 2.410 10 0 BEAERN CCC1(C)CCN(c2ncc(C=O)cn2)CC1 ZINC000126321775 592724070 /nfs/dbraw/zinc/72/40/70/592724070.db2.gz HSSAWKQRHHPWQJ-UHFFFAOYSA-N 0 0 233.315 2.306 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000248942530 635118197 /nfs/dbraw/zinc/11/81/97/635118197.db2.gz CWDYONXOFIYDDV-OUAUKWLOSA-N 0 0 207.273 2.268 10 0 BEAERN CC(C)C(CNC(=O)n1ccnc1)C(C)C ZINC000229604730 635475694 /nfs/dbraw/zinc/47/56/94/635475694.db2.gz URNNDERCGFAHLL-UHFFFAOYSA-N 0 0 223.320 2.369 10 0 BEAERN CS[C@@H](C)C(=O)OC[C@@H]1CC1(C)C ZINC000308313961 631277803 /nfs/dbraw/zinc/27/78/03/631277803.db2.gz UWLPUXKYVGHVNB-YUMQZZPRSA-N 0 0 202.319 2.327 10 0 BEAERN Cc1cc(N)nn1CC[C@@H]1C[C@@H]1C1CC1 ZINC000714771506 631299796 /nfs/dbraw/zinc/29/97/96/631299796.db2.gz QTJUKZLVPHEAHQ-GHMZBOCLSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1c(-c2ccc(C=O)cc2)cnn1C ZINC000085112285 631456829 /nfs/dbraw/zinc/45/68/29/631456829.db2.gz RPCDFJBLCPQSKY-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN CCCOCCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176134322 631539348 /nfs/dbraw/zinc/53/93/48/631539348.db2.gz KFGYQUYMJMKRPZ-WDEREUQCSA-N 0 0 212.289 2.002 10 0 BEAERN O=Cc1cccc(Cl)c1-n1ccnc1 ZINC000236030606 631543419 /nfs/dbraw/zinc/54/34/19/631543419.db2.gz IMCOWXOHMWLQOK-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CC[C@H](C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000246440123 635652632 /nfs/dbraw/zinc/65/26/32/635652632.db2.gz DMHDZQXHFUVEME-AEJSXWLSSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H](OC(=O)/C=C\c1ccco1)[C@@H]1CCOC1 ZINC000255418704 631645307 /nfs/dbraw/zinc/64/53/07/631645307.db2.gz ZGUAJYDDBNPLCH-NRFYAWERSA-N 0 0 236.267 2.261 10 0 BEAERN COC[C@@H](C)CNc1ccc(N)c(C)c1 ZINC000045685820 631843908 /nfs/dbraw/zinc/84/39/08/631843908.db2.gz AVAZUFPOUPHFKD-VIFPVBQESA-N 0 0 208.305 2.272 10 0 BEAERN Cc1cccc2c1N[C@H]([C@H]1CCCOC1)[C@H](O)C2 ZINC000725268645 631864956 /nfs/dbraw/zinc/86/49/56/631864956.db2.gz XMHVJPSGUIMKNF-GZBFAFLISA-N 0 0 247.338 2.119 10 0 BEAERN Cc1ccc(C(=O)OC[C@@H]2CC=CCC2)c(=O)[nH]1 ZINC000127684454 631871717 /nfs/dbraw/zinc/87/17/17/631871717.db2.gz UHXKTQHWOYGMBE-LLVKDONJSA-N 0 0 247.294 2.196 10 0 BEAERN CC(C)(C)[C@@H](O)COc1ccc(C=O)cc1 ZINC000309132952 631902325 /nfs/dbraw/zinc/90/23/25/631902325.db2.gz HZPLCXMWWOEFSE-LBPRGKRZSA-N 0 0 222.284 2.285 10 0 BEAERN CS[C@H]1CC[C@H](NC(=O)OC(C)C)C1 ZINC000235099412 631953511 /nfs/dbraw/zinc/95/35/11/631953511.db2.gz LEHDNIVXSXSDDY-IUCAKERBSA-N 0 0 217.334 2.405 10 0 BEAERN O=C([O-])C[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000309319473 631992566 /nfs/dbraw/zinc/99/25/66/631992566.db2.gz AAPWSBCAMCURHH-FWYAXHSGSA-N 0 0 231.723 2.316 10 0 BEAERN CS[C@@H]1CC[C@H](NC(=O)OC(C)C)C1 ZINC000235133315 632039744 /nfs/dbraw/zinc/03/97/44/632039744.db2.gz LEHDNIVXSXSDDY-DTWKUNHWSA-N 0 0 217.334 2.405 10 0 BEAERN CCCOC(=O)N[C@H](C)c1ncc(C)o1 ZINC000308883697 632080629 /nfs/dbraw/zinc/08/06/29/632080629.db2.gz WGVKWNXJVAEQQC-MRVPVSSYSA-N 0 0 212.249 2.180 10 0 BEAERN COCC[C@H](N)c1nc(C2CCCCC2)no1 ZINC000052785398 632488217 /nfs/dbraw/zinc/48/82/17/632488217.db2.gz CUUDIHBLGZMHFK-JTQLQIEISA-N 0 0 239.319 2.154 10 0 BEAERN COCCc1ccnc(N[C@H]2CC[C@H]2C)c1 ZINC000309624386 632585406 /nfs/dbraw/zinc/58/54/06/632585406.db2.gz GAIVQRHYIWLNLZ-PWSUYJOCSA-N 0 0 220.316 2.481 10 0 BEAERN C[C@@H](Nc1nc2ccccc2s1)[C@H](C)O ZINC000309040443 632622190 /nfs/dbraw/zinc/62/21/90/632622190.db2.gz KWYHIASDJKDIIN-SFYZADRCSA-N 0 0 222.313 2.478 10 0 BEAERN Cc1cc(CN[C@@H]2COc3ccccc32)on1 ZINC000310513435 632752608 /nfs/dbraw/zinc/75/26/08/632752608.db2.gz KMYTZGCYNLNFKT-GFCCVEGCSA-N 0 0 230.267 2.206 10 0 BEAERN Cc1cc(NCC2(C)COC2)cnc1Cl ZINC000235864725 632842867 /nfs/dbraw/zinc/84/28/67/632842867.db2.gz XUBNABFGZNKKAQ-UHFFFAOYSA-N 0 0 226.707 2.492 10 0 BEAERN Cc1nn(-c2ncccc2C=O)cc1Cl ZINC000235945513 632855011 /nfs/dbraw/zinc/85/50/11/632855011.db2.gz NLKMHQRDCUHTOE-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cc1cnn(-c2cc(F)cc(C=O)c2)c1 ZINC000235968633 632856660 /nfs/dbraw/zinc/85/66/60/632856660.db2.gz POXMNWQVWYVPNU-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN Cc1nc(C)n(-c2ccc(C=O)c(Cl)c2)n1 ZINC000235957867 632857003 /nfs/dbraw/zinc/85/70/03/632857003.db2.gz KJGDKDUYOHTHAY-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN CCc1nn(C)cc1C(=O)O[C@@H](C)C1CCC1 ZINC000181312370 633078732 /nfs/dbraw/zinc/07/87/32/633078732.db2.gz ZRYIARMBCZKJEP-VIFPVBQESA-N 0 0 236.315 2.328 10 0 BEAERN CC(C)c1nn(C)cc1-c1ccncc1N ZINC000166777580 633121772 /nfs/dbraw/zinc/12/17/72/633121772.db2.gz QKESTBXIDHXRHW-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN O=C1C[C@H](c2ccc(F)cc2C(F)(F)F)N1 ZINC000167654145 633131181 /nfs/dbraw/zinc/13/11/81/633131181.db2.gz SDTTVDAITUONKS-MRVPVSSYSA-N 0 0 233.164 2.406 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C/C(Cl)=C/Cl ZINC000307327747 635986214 /nfs/dbraw/zinc/98/62/14/635986214.db2.gz JQCVFKDFEPSIIH-BVQMJAIZSA-N 0 0 224.131 2.151 10 0 BEAERN CSCCCC(=O)O[C@H](C)C1CCOCC1 ZINC000151501191 636087058 /nfs/dbraw/zinc/08/70/58/636087058.db2.gz VOJWPRMBSWGYDV-SNVBAGLBSA-N 0 0 246.372 2.488 10 0 BEAERN CC(C)COC(=O)[C@H]1CCCO[C@@H]1C ZINC000192105279 636089186 /nfs/dbraw/zinc/08/91/86/636089186.db2.gz UCTSSJSSVCRFPM-ZJUUUORDSA-N 0 0 200.278 2.001 10 0 BEAERN CS[C@@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151558347 636111238 /nfs/dbraw/zinc/11/12/38/636111238.db2.gz QFBRFJFUGWVIIA-IUCAKERBSA-N 0 0 232.345 2.096 10 0 BEAERN C[C@H](OC(=O)C(C)(C)C)[C@H]1CCOC1 ZINC000175267325 633782078 /nfs/dbraw/zinc/78/20/78/633782078.db2.gz FKFCTTKBEDTRAD-IUCAKERBSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@@H](O)c1ccc(OCc2ccno2)cc1 ZINC000035626266 633834547 /nfs/dbraw/zinc/83/45/47/633834547.db2.gz MACJCNVRABGDES-SECBINFHSA-N 0 0 219.240 2.307 10 0 BEAERN C[C@@H](O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000035627770 633837351 /nfs/dbraw/zinc/83/73/51/633837351.db2.gz NZPSWURTVLSYJH-ZWNOBZJWSA-N 0 0 222.284 2.298 10 0 BEAERN OCC[C@H]1CCN(C/C(Cl)=C\Cl)C1 ZINC000228224808 633903398 /nfs/dbraw/zinc/90/33/98/633903398.db2.gz YBQATYAFJXAOJL-CBVZUMJXSA-N 0 0 224.131 2.010 10 0 BEAERN CCCCOc1nc(Cl)ccc1N ZINC000228449667 633991358 /nfs/dbraw/zinc/99/13/58/633991358.db2.gz AHTFQTXFYOZFJO-UHFFFAOYSA-N 0 0 200.669 2.496 10 0 BEAERN Cc1cc(C(=O)O[C@H](C)[C@@H]2CCOC2)co1 ZINC000187446647 634107666 /nfs/dbraw/zinc/10/76/66/634107666.db2.gz KWCPBSBHRIKSGB-NXEZZACHSA-N 0 0 224.256 2.170 10 0 BEAERN C[C@@H]1OCC[C@H]1OC(=O)Cc1cccc(F)c1 ZINC000187828531 634121325 /nfs/dbraw/zinc/12/13/25/634121325.db2.gz DVQZOABUZHLOET-JOYOIKCWSA-N 0 0 238.258 2.089 10 0 BEAERN CCOC[C@H](C)OC(=O)C1=CCCCC1 ZINC000190749952 634193059 /nfs/dbraw/zinc/19/30/59/634193059.db2.gz NHAHIIVMBNDGEZ-JTQLQIEISA-N 0 0 212.289 2.455 10 0 BEAERN CCOC[C@H](C)OC(=O)/C=C/c1cncc(C)c1 ZINC000190750660 634193445 /nfs/dbraw/zinc/19/34/45/634193445.db2.gz XSBSNOZGNFZPDW-FYJFLYSWSA-N 0 0 249.310 2.371 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCC(C)(C)c1ccncc1 ZINC000093790829 634373524 /nfs/dbraw/zinc/37/35/24/634373524.db2.gz TZZZXNUSFXYJTB-PWSUYJOCSA-N 0 0 247.342 2.067 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@@H]1CCCO[C@H]1C ZINC000253353509 635128171 /nfs/dbraw/zinc/12/81/71/635128171.db2.gz ZHHLHGPZNZTVSD-HBNTYKKESA-N 0 0 225.288 2.037 10 0 BEAERN CCCCCCC(=O)N1CC[C@H](CCO)C1 ZINC000162949061 635220400 /nfs/dbraw/zinc/22/04/00/635220400.db2.gz JGUXPEJPPLZJKU-GFCCVEGCSA-N 0 0 227.348 2.188 10 0 BEAERN CN[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000054053194 635340542 /nfs/dbraw/zinc/34/05/42/635340542.db2.gz FJILIKBKKFFBIP-MRVPVSSYSA-N 0 0 235.262 2.080 10 0 BEAERN COC1CC(NC(=O)c2cc(C)ccc2F)C1 ZINC000230629985 635488593 /nfs/dbraw/zinc/48/85/93/635488593.db2.gz WFVPJVQVOULNDJ-UHFFFAOYSA-N 0 0 237.274 2.041 10 0 BEAERN CC[C@H]([NH2+]Cc1cccc(C(=O)[O-])n1)C(C)C ZINC000234036552 635547708 /nfs/dbraw/zinc/54/77/08/635547708.db2.gz QWSQBQSIQROQGA-NSHDSACASA-N 0 0 236.315 2.304 10 0 BEAERN Cc1ccn(-c2ccc(C)cc2C=O)n1 ZINC000235880327 635591232 /nfs/dbraw/zinc/59/12/32/635591232.db2.gz JDVQFERYAANEQS-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN CC/C=C/CCOC(=O)CCn1cccn1 ZINC000126947603 636120505 /nfs/dbraw/zinc/12/05/05/636120505.db2.gz LVDKXLHRKPEMRI-ONEGZZNKSA-N 0 0 222.288 2.173 10 0 BEAERN C[C@@H](OC(=O)c1ccccc1)[C@@H]1CCOC1 ZINC000079175706 636253770 /nfs/dbraw/zinc/25/37/70/636253770.db2.gz LYKVTKWOGVWGHG-ZYHUDNBSSA-N 0 0 220.268 2.268 10 0 BEAERN C[C@H](OC(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000079178060 636256442 /nfs/dbraw/zinc/25/64/42/636256442.db2.gz RCVHJGFKPPSVPX-UWVGGRQHSA-N 0 0 238.258 2.408 10 0 BEAERN CCC(=O)c1ccccc1-n1ccnc1 ZINC000167670403 636264143 /nfs/dbraw/zinc/26/41/43/636264143.db2.gz JLWWZKPDHVNDMG-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN CCN(CC)C(=O)CSC(C)(C)C ZINC000034112263 636507784 /nfs/dbraw/zinc/50/77/84/636507784.db2.gz PYUJRKSLQULZEW-UHFFFAOYSA-N 0 0 203.351 2.387 10 0 BEAERN O=C1C[C@@H](c2ccc(Cl)c(F)c2)CN1 ZINC000203889508 636703218 /nfs/dbraw/zinc/70/32/18/636703218.db2.gz ZBKPOKJCSNNXCY-SSDOTTSWSA-N 0 0 213.639 2.083 10 0 BEAERN Cc1nc2ccccc2nc1N[C@@H](C)[C@H](C)O ZINC000343796652 636775982 /nfs/dbraw/zinc/77/59/82/636775982.db2.gz SZCYEKFOARWTMP-WPRPVWTQSA-N 0 0 231.299 2.119 10 0 BEAERN Cc1ccc(C[C@@H](C)NC(=O)n2ccnc2)s1 ZINC000080251915 636861641 /nfs/dbraw/zinc/86/16/41/636861641.db2.gz QUSSCKPNWLSPHT-SECBINFHSA-N 0 0 249.339 2.442 10 0 BEAERN CC(C)C[C@@H](CO)NC(=O)CSC(C)(C)C ZINC000040793711 636943989 /nfs/dbraw/zinc/94/39/89/636943989.db2.gz IHIMNDYQSWKYFE-JTQLQIEISA-N 0 0 247.404 2.041 10 0 BEAERN CN(CCC1CC1)C(=O)N1CCCCC1 ZINC000163558956 637036133 /nfs/dbraw/zinc/03/61/33/637036133.db2.gz WMTWNXFXDBIHOP-UHFFFAOYSA-N 0 0 210.321 2.324 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)[C@H](C)O)c1Cl ZINC000346363056 637090502 /nfs/dbraw/zinc/09/05/02/637090502.db2.gz CKABRVWSZUIFLO-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)[C@@H](C)O)c1Cl ZINC000346363055 637090834 /nfs/dbraw/zinc/09/08/34/637090834.db2.gz CKABRVWSZUIFLO-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)[C@H](C)O ZINC000346370908 637093249 /nfs/dbraw/zinc/09/32/49/637093249.db2.gz GCYLAEYUZPNLGG-VWYCJHECSA-N 0 0 227.348 2.088 10 0 BEAERN CCCC(CCC)C(=O)N[C@@H](C)[C@@H](C)O ZINC000346381768 637094723 /nfs/dbraw/zinc/09/47/23/637094723.db2.gz ONQRBZSQCWDCLX-VHSXEESVSA-N 0 0 215.337 2.088 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)N[C@H](C)[C@@H](C)O ZINC000346396351 637105349 /nfs/dbraw/zinc/10/53/49/637105349.db2.gz JVKZPTJIUOTPHI-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)N[C@H](C)[C@H](C)O ZINC000346396346 637105704 /nfs/dbraw/zinc/10/57/04/637105704.db2.gz JVKZPTJIUOTPHI-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)O)cc1Cl ZINC000346467251 637145732 /nfs/dbraw/zinc/14/57/32/637145732.db2.gz PMCSJHGAJKDYMK-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)O)c(C)c1 ZINC000346544488 637164830 /nfs/dbraw/zinc/16/48/30/637164830.db2.gz ZVWHDRPUQGUFMV-NWDGAFQWSA-N 0 0 235.327 2.111 10 0 BEAERN C[C@H]1CCC[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128694943 637253242 /nfs/dbraw/zinc/25/32/42/637253242.db2.gz QPPUQEUKRGNAEG-GZMMTYOYSA-N 0 0 223.272 2.256 10 0 BEAERN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128694742 637253496 /nfs/dbraw/zinc/25/34/96/637253496.db2.gz QPPUQEUKRGNAEG-LDYMZIIASA-N 0 0 223.272 2.256 10 0 BEAERN COC(=O)[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000043368844 638282962 /nfs/dbraw/zinc/28/29/62/638282962.db2.gz ZWHZNGQAOBBNDN-QMMMGPOBSA-N 0 0 224.231 2.208 10 0 BEAERN NC(=O)c1ccc(-c2cccc(C=O)c2)cc1 ZINC000149541959 638585063 /nfs/dbraw/zinc/58/50/63/638585063.db2.gz SIWNDHKBJYKGTI-UHFFFAOYSA-N 0 0 225.247 2.265 10 0 BEAERN CCn1nc(C)cc1-c1cncc(N)c1C ZINC000722710370 711466497 /nfs/dbraw/zinc/46/64/97/711466497.db2.gz KCTNTNCGJHSLSF-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN COCCSC[C@H](O)c1ccccc1 ZINC000037652412 711467264 /nfs/dbraw/zinc/46/72/64/711467264.db2.gz FAXSGYPFYLCIHQ-NSHDSACASA-N 0 0 212.314 2.100 10 0 BEAERN CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1C)c1ccccn1 ZINC000911144431 639584632 /nfs/dbraw/zinc/58/46/32/639584632.db2.gz PXDDQYPHSNBHAL-DMDPSCGWSA-N 0 0 248.326 2.074 10 0 BEAERN CCc1nnc(COc2cccc([C@H](C)O)c2)o1 ZINC000035627702 639765394 /nfs/dbraw/zinc/76/53/94/639765394.db2.gz HAEYYPMKARTEDY-VIFPVBQESA-N 0 0 248.282 2.264 10 0 BEAERN C[C@H](OC(=O)[C@@H](C)C1CC1)[C@@H]1CCOC1 ZINC000175229696 639849638 /nfs/dbraw/zinc/84/96/38/639849638.db2.gz CKWXHJOXTABAEE-ATZCPNFKSA-N 0 0 212.289 2.001 10 0 BEAERN C[C@H](OC(=O)C(C)(C)C)C1CCOCC1 ZINC000156001705 639941555 /nfs/dbraw/zinc/94/15/55/639941555.db2.gz WZZHARRFFCSEAE-VIFPVBQESA-N 0 0 214.305 2.391 10 0 BEAERN CCCc1c(N)n(C)nc1[C@@H](C)C1CC1 ZINC000163623293 640227314 /nfs/dbraw/zinc/22/73/14/640227314.db2.gz IYZJUTGZWSVITB-QMMMGPOBSA-N 0 0 207.321 2.468 10 0 BEAERN CCCC(=O)O[C@H](C)C1CCOCC1 ZINC000151488364 640395915 /nfs/dbraw/zinc/39/59/15/640395915.db2.gz CVGSXLZWVBTCPC-SECBINFHSA-N 0 0 200.278 2.145 10 0 BEAERN c1nc(CN[C@@H]2CCOc3ccccc32)c[nH]1 ZINC000054764732 640404905 /nfs/dbraw/zinc/40/49/05/640404905.db2.gz JPLAFDGPCAAUMI-GFCCVEGCSA-N 0 0 229.283 2.023 10 0 BEAERN CC(C)N=Nc1c(F)c(F)nc(F)c1F ZINC000044554588 640436845 /nfs/dbraw/zinc/43/68/45/640436845.db2.gz MSTAVIFDLZNSKY-UHFFFAOYSA-N 0 0 221.157 2.446 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)c1cnccn1 ZINC000044630034 640445117 /nfs/dbraw/zinc/44/51/17/640445117.db2.gz CDZIAHZBTDHYRV-QMMMGPOBSA-N 0 0 223.276 2.062 10 0 BEAERN CONC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000045037438 640497122 /nfs/dbraw/zinc/49/71/22/640497122.db2.gz XUGNHSNDISFADR-ZETCQYMHSA-N 0 0 228.679 2.262 10 0 BEAERN CSCCOc1cccc([C@@H](C)O)c1 ZINC000164944919 640521690 /nfs/dbraw/zinc/52/16/90/640521690.db2.gz RNDZKHZRWQZMHR-SECBINFHSA-N 0 0 212.314 2.482 10 0 BEAERN CCOCCCNc1cncc2cccnc21 ZINC000223137456 640537702 /nfs/dbraw/zinc/53/77/02/640537702.db2.gz CCXMOAMWIYBQDT-UHFFFAOYSA-N 0 0 231.299 2.468 10 0 BEAERN Clc1csc(N2CCn3ccnc3C2)n1 ZINC000165181362 640546697 /nfs/dbraw/zinc/54/66/97/640546697.db2.gz QGCQKFJNGUTKDK-UHFFFAOYSA-N 0 0 240.719 2.013 10 0 BEAERN CCNCc1noc([C@H]2CCC[C@H]2C)n1 ZINC000225427603 640691823 /nfs/dbraw/zinc/69/18/23/640691823.db2.gz ZPLOWDJDHGGJDM-BDAKNGLRSA-N 0 0 209.293 2.083 10 0 BEAERN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000225649842 640703465 /nfs/dbraw/zinc/70/34/65/640703465.db2.gz JRUGCYBXTUZNPB-RPGNDLBOSA-N 0 0 225.332 2.010 10 0 BEAERN CO[C@H](C)Cn1ccc2ccc(N)cc21 ZINC000167139068 640704779 /nfs/dbraw/zinc/70/47/79/640704779.db2.gz KTIGJQLHTFCACR-SECBINFHSA-N 0 0 204.273 2.258 10 0 BEAERN CCCc1noc([C@@H]2C[C@@H](C)CCN2)n1 ZINC000167529629 640725119 /nfs/dbraw/zinc/72/51/19/640725119.db2.gz WZGNZMYIPPDURS-IUCAKERBSA-N 0 0 209.293 2.083 10 0 BEAERN CS[C@H](C)CC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000157875508 640768065 /nfs/dbraw/zinc/76/80/65/640768065.db2.gz QVDBFWKWTNLIMO-KXUCPTDWSA-N 0 0 232.345 2.096 10 0 BEAERN Cc1cnc([C@@H](C)NC(=S)NCC(C)C)o1 ZINC000226536319 640773480 /nfs/dbraw/zinc/77/34/80/640773480.db2.gz BFKMVYULTLIDPP-SECBINFHSA-N 0 0 241.360 2.164 10 0 BEAERN Nc1cnc(OCc2cccs2)s1 ZINC000226757404 640792286 /nfs/dbraw/zinc/79/22/86/640792286.db2.gz YUPNXDDXGOXNQQ-UHFFFAOYSA-N 0 0 212.299 2.366 10 0 BEAERN CC[C@H](C(=O)C(C)(C)C)C(OC)OC ZINC000168303868 640800614 /nfs/dbraw/zinc/80/06/14/640800614.db2.gz LCHCWZJQLZUQHT-MRVPVSSYSA-N 0 0 202.294 2.247 10 0 BEAERN CC[C@@](C)(O)CN1CC[C@H](O)c2ccccc21 ZINC000168316442 640802571 /nfs/dbraw/zinc/80/25/71/640802571.db2.gz QPUDYXLZPGJOSX-UONOGXRCSA-N 0 0 235.327 2.091 10 0 BEAERN CC(=O)O[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000006036490 640834052 /nfs/dbraw/zinc/83/40/52/640834052.db2.gz WPDTWMWIRBCOSB-SECBINFHSA-N 0 0 236.267 2.300 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc(F)cc1N ZINC000059927815 640840074 /nfs/dbraw/zinc/84/00/74/640840074.db2.gz KJFXKAZNAKWNCT-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccc(C)cc1 ZINC000170906275 640935151 /nfs/dbraw/zinc/93/51/51/640935151.db2.gz WTFREQYQPJXJFN-NSHDSACASA-N 0 0 222.284 2.321 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccccc1C ZINC000170906199 640936212 /nfs/dbraw/zinc/93/62/12/640936212.db2.gz NRXBRGOLJJCWJJ-LLVKDONJSA-N 0 0 222.284 2.321 10 0 BEAERN C[C@H]1CSCCCN1c1ccc(C=O)o1 ZINC000675064100 640961115 /nfs/dbraw/zinc/96/11/15/640961115.db2.gz VKBRFPUUXUMVQO-VIFPVBQESA-N 0 0 225.313 2.424 10 0 BEAERN CC(=O)[C@@H]1COc2c(F)ccc(C)c2C1 ZINC000675064400 640963069 /nfs/dbraw/zinc/96/30/69/640963069.db2.gz ZJELBASMRXAWKK-VIFPVBQESA-N 0 0 208.232 2.274 10 0 BEAERN CCCCCC[C@H](C)OC(=O)[C@@H]1CNC(=O)C1 ZINC000171491242 640982508 /nfs/dbraw/zinc/98/25/08/640982508.db2.gz CQGMMQAIWNCYQJ-QWRGUYRKSA-N 0 0 241.331 2.025 10 0 BEAERN CC(C)c1c(N)n(C)nc1-c1ccoc1 ZINC000229834915 640987326 /nfs/dbraw/zinc/98/73/26/640987326.db2.gz SPKJBMLWUCXBDQ-UHFFFAOYSA-N 0 0 205.261 2.386 10 0 BEAERN Cc1nn(-c2ncc(C=O)cc2C)cc1Cl ZINC000087718061 640990723 /nfs/dbraw/zinc/99/07/23/640990723.db2.gz RYUSPBLWLAURLR-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN C[C@H]1CN(Cn2ncsc2=S)CCS1 ZINC000171605776 640995118 /nfs/dbraw/zinc/99/51/18/640995118.db2.gz ZILBQMIKBRIPTC-ZETCQYMHSA-N 0 0 247.414 2.069 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NOC1CCCC1 ZINC000230168654 641031789 /nfs/dbraw/zinc/03/17/89/641031789.db2.gz CWTGFNHGPHENKT-ONGXEEELSA-N 0 0 211.305 2.413 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCCCCCCO ZINC000230176577 641034962 /nfs/dbraw/zinc/03/49/62/641034962.db2.gz MBJJMLMMYZIJGL-VXGBXAGGSA-N 0 0 227.348 2.092 10 0 BEAERN COC1CC(Nc2ccnc(Cl)c2)C1 ZINC000230601244 641071764 /nfs/dbraw/zinc/07/17/64/641071764.db2.gz KIXACKGTUSDILX-UHFFFAOYSA-N 0 0 212.680 2.324 10 0 BEAERN Cc1ccc(F)cc1-c1cc(N)n(C)n1 ZINC000062665961 641072166 /nfs/dbraw/zinc/07/21/66/641072166.db2.gz KRJKUJTXDQVGKH-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN C[C@@H](O)c1cccc(OCCc2ccnn2C)c1 ZINC000230765423 641092380 /nfs/dbraw/zinc/09/23/80/641092380.db2.gz PRQBGFVZPQWHRL-LLVKDONJSA-N 0 0 246.310 2.095 10 0 BEAERN CCN(C(=O)c1ccc(F)cc1N)C(C)C ZINC000062822428 641095325 /nfs/dbraw/zinc/09/53/25/641095325.db2.gz VKGIZAJYCKBZOE-UHFFFAOYSA-N 0 0 224.279 2.278 10 0 BEAERN Nc1cc(F)ccc1C(=O)NC[C@@H]1CC=CCC1 ZINC000062823383 641096309 /nfs/dbraw/zinc/09/63/09/641096309.db2.gz IDOMYXSOSYVOMG-SNVBAGLBSA-N 0 0 248.301 2.494 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=S)NC(C)C ZINC000231648000 641190896 /nfs/dbraw/zinc/19/08/96/641190896.db2.gz IYFMNTJKFJOLIN-BDAKNGLRSA-N 0 0 200.351 2.048 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ccnc(C(=O)N(C)C)c1 ZINC000231663186 641192687 /nfs/dbraw/zinc/19/26/87/641192687.db2.gz YXIQDBUXAWCYAN-CMPLNLGQSA-N 0 0 247.342 2.384 10 0 BEAERN CCOC(CN[C@@H](C)c1ncc(C)o1)OCC ZINC000231785877 641203518 /nfs/dbraw/zinc/20/35/18/641203518.db2.gz SVMZOKSXWGVMFS-JTQLQIEISA-N 0 0 242.319 2.033 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H]2CCC=CO2)o1 ZINC000231999464 641226436 /nfs/dbraw/zinc/22/64/36/641226436.db2.gz COWFGHHACFDZHN-QWRGUYRKSA-N 0 0 222.288 2.326 10 0 BEAERN COc1csc(-c2nn(C)c(N)c2C)c1 ZINC000088028630 641254403 /nfs/dbraw/zinc/25/44/03/641254403.db2.gz JAMIZJRAGLEEEC-UHFFFAOYSA-N 0 0 223.301 2.048 10 0 BEAERN CC(=O)c1cccnc1-n1cnc(C)c1C ZINC000232581595 641305959 /nfs/dbraw/zinc/30/59/59/641305959.db2.gz XKZLGPZIKJVTQK-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN C/C=C(/C)C(=O)O[C@H](C)C1CCOCC1 ZINC000089982160 641370261 /nfs/dbraw/zinc/37/02/61/641370261.db2.gz LAAURVAJNMEVBT-ZUYFITGHSA-N 0 0 212.289 2.311 10 0 BEAERN COC[C@@H](C)C(=O)OCc1nc(C)c(C)s1 ZINC000174691688 641387381 /nfs/dbraw/zinc/38/73/81/641387381.db2.gz ABTBHAFNVOQNHF-SSDOTTSWSA-N 0 0 243.328 2.086 10 0 BEAERN CC(C)c1c(N)n(C)nc1-c1cncs1 ZINC000232732464 641396442 /nfs/dbraw/zinc/39/64/42/641396442.db2.gz UJLOAERGGZGJRL-UHFFFAOYSA-N 0 0 222.317 2.249 10 0 BEAERN CCCCOCCOC(=O)[C@H](C)SC ZINC000122469411 641410936 /nfs/dbraw/zinc/41/09/36/641410936.db2.gz IGKYTVNINOHIOA-VIFPVBQESA-N 0 0 220.334 2.098 10 0 BEAERN C[C@@H](OC(=O)c1ccco1)C1CCOCC1 ZINC000151576418 641421017 /nfs/dbraw/zinc/42/10/17/641421017.db2.gz ZTSQABPPALITIE-SECBINFHSA-N 0 0 224.256 2.252 10 0 BEAERN CC(C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151603581 641430804 /nfs/dbraw/zinc/43/08/04/641430804.db2.gz BGYVPIVEOMZQME-VIFPVBQESA-N 0 0 200.278 2.001 10 0 BEAERN Cc1cc(NC(=O)CC(F)(F)F)ccc1N ZINC000043569839 641568856 /nfs/dbraw/zinc/56/88/56/641568856.db2.gz CULJNRHBLFXZFB-UHFFFAOYSA-N 0 0 232.205 2.468 10 0 BEAERN Cc1ccc(C(=O)NCC(C)C)c(Cl)n1 ZINC000044267860 641593724 /nfs/dbraw/zinc/59/37/24/641593724.db2.gz KHACUBPHEFPPJA-UHFFFAOYSA-N 0 0 226.707 2.429 10 0 BEAERN CCc1nn(CC2CC2)c(CC)c1C=O ZINC000158786510 641650250 /nfs/dbraw/zinc/65/02/50/641650250.db2.gz KZESIRILIXTVRT-UHFFFAOYSA-N 0 0 206.289 2.230 10 0 BEAERN Cc1cccc(CNc2cncc(Cl)n2)n1 ZINC000048738673 641699936 /nfs/dbraw/zinc/69/99/36/641699936.db2.gz XJYPBZZCXULDAI-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN C[C@H]1CN(Cc2ccc(F)nc2)CCS1 ZINC000189326808 641801548 /nfs/dbraw/zinc/80/15/48/641801548.db2.gz LMBVJMPKHXAGRL-VIFPVBQESA-N 0 0 226.320 2.158 10 0 BEAERN CCC(=O)CCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000190264021 641854643 /nfs/dbraw/zinc/85/46/43/641854643.db2.gz URQIKCUCTZKEPD-SNVBAGLBSA-N 0 0 243.347 2.018 10 0 BEAERN CCOC[C@H](C)OC(=O)CCCCSC ZINC000190746251 641883144 /nfs/dbraw/zinc/88/31/44/641883144.db2.gz GQJPFOVGEQVZMM-JTQLQIEISA-N 0 0 234.361 2.488 10 0 BEAERN CO[C@H](C)CCOC(=O)Cc1cccc(F)c1 ZINC000174823059 641883222 /nfs/dbraw/zinc/88/32/22/641883222.db2.gz YODKRHBSLSFLQG-SNVBAGLBSA-N 0 0 240.274 2.336 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H](CC)SC ZINC000190764260 641885259 /nfs/dbraw/zinc/88/52/59/641885259.db2.gz YEBZMFVXGRYMGB-DTWKUNHWSA-N 0 0 220.334 2.096 10 0 BEAERN CCCCO[C@@H](C)C(=O)O[C@@H](C)COCC ZINC000190772758 641885701 /nfs/dbraw/zinc/88/57/01/641885701.db2.gz PBTHHILYRNFMJI-QWRGUYRKSA-N 0 0 232.320 2.160 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H](C)CCCOC ZINC000190762703 641886046 /nfs/dbraw/zinc/88/60/46/641886046.db2.gz FIMRRWKUABKVAT-QWRGUYRKSA-N 0 0 232.320 2.017 10 0 BEAERN CCCCCCNC(=O)[C@H]1CCCO[C@H]1C ZINC000191688486 641938209 /nfs/dbraw/zinc/93/82/09/641938209.db2.gz USVDIIIDENUFBG-RYUDHWBXSA-N 0 0 227.348 2.498 10 0 BEAERN CSCCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192104587 641961397 /nfs/dbraw/zinc/96/13/97/641961397.db2.gz VIRLFSNYVDUKBC-UWVGGRQHSA-N 0 0 232.345 2.098 10 0 BEAERN C=CCCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192107779 641962993 /nfs/dbraw/zinc/96/29/93/641962993.db2.gz HYEMBFWXUIHFJS-GHMZBOCLSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OC1CCCC1 ZINC000192107178 641963299 /nfs/dbraw/zinc/96/32/99/641963299.db2.gz RKBUKEXKFUNMTP-GXSJLCMTSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OC1CCCC1 ZINC000192107171 641963510 /nfs/dbraw/zinc/96/35/10/641963510.db2.gz RKBUKEXKFUNMTP-MWLCHTKSSA-N 0 0 212.289 2.287 10 0 BEAERN CSCCC(=O)NCc1ccccc1F ZINC000032994775 641967450 /nfs/dbraw/zinc/96/74/50/641967450.db2.gz JDRQSDGVUNGVNI-UHFFFAOYSA-N 0 0 227.304 2.195 10 0 BEAERN C[C@H](O)c1ccn(C/C(Cl)=C\Cl)n1 ZINC000308222081 711513882 /nfs/dbraw/zinc/51/38/82/711513882.db2.gz COMRZGCNIXHIHI-PDKRUMACSA-N 0 0 221.087 2.255 10 0 BEAERN CCC1(COC(=O)[C@@H]2C[C@H]2C2CC2)COC1 ZINC000154681518 642181143 /nfs/dbraw/zinc/18/11/43/642181143.db2.gz IRNIGHBTTKMXTK-WDEREUQCSA-N 0 0 224.300 2.002 10 0 BEAERN CC[C@H]([NH3+])c1c(F)c(F)c([O-])c(F)c1F ZINC000238308769 642313975 /nfs/dbraw/zinc/31/39/75/642313975.db2.gz CKCKWTZTPDLDLH-VKHMYHEASA-N 0 0 223.169 2.358 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC/C=C\c1ccccc1 ZINC000255270074 642328060 /nfs/dbraw/zinc/32/80/60/642328060.db2.gz IZDSJGPONIIBHC-WJVBWYCWSA-N 0 0 230.311 2.407 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000050920616 642369011 /nfs/dbraw/zinc/36/90/11/642369011.db2.gz HSIWEELJPWBDJR-CYBMUJFWSA-N 0 0 249.310 2.044 10 0 BEAERN CSC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252949991 642432475 /nfs/dbraw/zinc/43/24/75/642432475.db2.gz OJFBZELUHXPEEA-ILWJIGKKSA-N 0 0 227.373 2.290 10 0 BEAERN COC[C@H](C)C(=O)NC/C=C\c1ccccc1 ZINC000255304228 642463479 /nfs/dbraw/zinc/46/34/79/642463479.db2.gz FUHQEDRCHRJQEQ-PWWFUAJNSA-N 0 0 233.311 2.099 10 0 BEAERN CCCCSCC(=O)N[C@H]1C[C@@H]1C ZINC000308210757 642504991 /nfs/dbraw/zinc/50/49/91/642504991.db2.gz GJEMMANVNHUFNW-IUCAKERBSA-N 0 0 201.335 2.044 10 0 BEAERN CC(C)(C)SCC(=O)NC[C@H](O)C(C)(C)C ZINC000305066695 642635427 /nfs/dbraw/zinc/63/54/27/642635427.db2.gz MIXYHFCLPFDIKB-VIFPVBQESA-N 0 0 247.404 2.041 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1cncc(Cl)n1 ZINC000233305030 642656845 /nfs/dbraw/zinc/65/68/45/642656845.db2.gz HZXXOCMTVJZNNI-HTQZYQBOSA-N 0 0 239.706 2.048 10 0 BEAERN CSCCCCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175269213 642666583 /nfs/dbraw/zinc/66/65/83/642666583.db2.gz GTBZOEAQXUUBEO-GHMZBOCLSA-N 0 0 246.372 2.488 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cncc(Cl)n1 ZINC000233397860 642668444 /nfs/dbraw/zinc/66/84/44/642668444.db2.gz HZXXOCMTVJZNNI-YUMQZZPRSA-N 0 0 239.706 2.048 10 0 BEAERN Cc1ccoc1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175288694 642669686 /nfs/dbraw/zinc/66/96/86/642669686.db2.gz UOCBXAUKRSSEHC-ZJUUUORDSA-N 0 0 224.256 2.170 10 0 BEAERN C[C@@H](OC(=O)CC(C)(C)C)[C@@H]1CCOC1 ZINC000175299499 642671712 /nfs/dbraw/zinc/67/17/12/642671712.db2.gz KDZOAVIKPAKNPX-NXEZZACHSA-N 0 0 214.305 2.391 10 0 BEAERN CCCCO[C@H](C)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175292602 642672163 /nfs/dbraw/zinc/67/21/63/642672163.db2.gz ULBJQJRVCZCDJM-QJPTWQEYSA-N 0 0 244.331 2.160 10 0 BEAERN CC[C@@H]([NH2+]Cc1cccc(C(=O)[O-])n1)C(C)C ZINC000233903346 642707243 /nfs/dbraw/zinc/70/72/43/642707243.db2.gz QWSQBQSIQROQGA-LLVKDONJSA-N 0 0 236.315 2.304 10 0 BEAERN Cc1cccnc1COC(=O)[C@H]1CC[C@@H](C)O1 ZINC000180352201 642786722 /nfs/dbraw/zinc/78/67/22/642786722.db2.gz SAVCNVAISFDEGA-ZYHUDNBSSA-N 0 0 235.283 2.001 10 0 BEAERN CC(C)C1CCC2(C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000068949832 642813547 /nfs/dbraw/zinc/81/35/47/642813547.db2.gz GFJUXHCMCZWPET-QWKFWESOSA-N 0 0 225.332 2.123 10 0 BEAERN CC(C)C[C@@H](N)c1nc(-c2cscn2)no1 ZINC000075959134 642878199 /nfs/dbraw/zinc/87/81/99/642878199.db2.gz ZRSSHQQYBZFHIJ-SSDOTTSWSA-N 0 0 238.316 2.239 10 0 BEAERN CCOc1cc(F)ccc1NC(=O)N(C)C ZINC000069741283 642900553 /nfs/dbraw/zinc/90/05/53/642900553.db2.gz IKJYCGAWOVFJQP-UHFFFAOYSA-N 0 0 226.251 2.318 10 0 BEAERN COC[C@H](C)C(=O)NCCCCCCSC ZINC000181811569 642904915 /nfs/dbraw/zinc/90/49/15/642904915.db2.gz LTRXRFMLAJTRDV-NSHDSACASA-N 0 0 247.404 2.309 10 0 BEAERN C[C@H](OC(=O)COC(C)(C)C)C1CCOCC1 ZINC000182163313 642963951 /nfs/dbraw/zinc/96/39/51/642963951.db2.gz KGEHPNQTCDVCDQ-JTQLQIEISA-N 0 0 244.331 2.160 10 0 BEAERN C[C@@H](N[C@H]1COc2ccccc21)c1cnccn1 ZINC000070528365 643034113 /nfs/dbraw/zinc/03/41/13/643034113.db2.gz KAMWKGLMKYESQT-MFKMUULPSA-N 0 0 241.294 2.261 10 0 BEAERN C[C@H](N[C@H]1COc2ccccc21)c1cnccn1 ZINC000070528364 643035209 /nfs/dbraw/zinc/03/52/09/643035209.db2.gz KAMWKGLMKYESQT-GWCFXTLKSA-N 0 0 241.294 2.261 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)OC1CCCC1 ZINC000304522014 643124023 /nfs/dbraw/zinc/12/40/23/643124023.db2.gz FMXPMZHUMQJJHI-JTQLQIEISA-N 0 0 227.304 2.224 10 0 BEAERN CC[C@@H](C)c1sc(N)nc1C(=O)OC ZINC000233984154 643142571 /nfs/dbraw/zinc/14/25/71/643142571.db2.gz GPVUPUMEXUNEBC-RXMQYKEDSA-N 0 0 214.290 2.025 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C/C(Cl)=C\Cl ZINC000254966590 643186024 /nfs/dbraw/zinc/18/60/24/643186024.db2.gz NAMAWTPFJFKGKD-TUAQSSMMSA-N 0 0 224.131 2.415 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCC(C)(C)CC#N)O1 ZINC000184799931 643239129 /nfs/dbraw/zinc/23/91/29/643239129.db2.gz CNLOGUADJZBFIQ-VHSXEESVSA-N 0 0 225.288 2.037 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)CCOC(C)C)C1 ZINC000120623939 643240386 /nfs/dbraw/zinc/24/03/86/643240386.db2.gz RBTJDBFXCILWAP-NWDGAFQWSA-N 0 0 244.331 2.302 10 0 BEAERN C[C@H]1CC[C@H](O)CN1c1nc(Cl)cs1 ZINC000306956624 643298899 /nfs/dbraw/zinc/29/88/99/643298899.db2.gz RVQLOASDDWOQDT-BQBZGAKWSA-N 0 0 232.736 2.146 10 0 BEAERN C[C@@H]1CCNc2nc(C(F)(F)F)cn21 ZINC000235290205 643349286 /nfs/dbraw/zinc/34/92/86/643349286.db2.gz SKLHVSIKIWOYJS-RXMQYKEDSA-N 0 0 205.183 2.279 10 0 BEAERN C[C@@H]1C[C@H](C)[C@](F)(C(=O)OC(C)(C)C)[C@@H]([NH3+])C1 ZINC000757182469 643357176 /nfs/dbraw/zinc/35/71/76/643357176.db2.gz JIIRQWJMCSLJOP-KEPMVKOISA-N 0 0 245.338 2.430 10 0 BEAERN COC(=O)[C@@]1(F)C[C@H](C(C)(C)C)CCC1=O ZINC000757183595 643359054 /nfs/dbraw/zinc/35/90/54/643359054.db2.gz PYHLEWJAJZGRTL-PRHODGIISA-N 0 0 230.279 2.283 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2cc(C)ccn2)C1 ZINC000082644956 643361876 /nfs/dbraw/zinc/36/18/76/643361876.db2.gz KJPLMTZANNOJMK-GFCCVEGCSA-N 0 0 218.300 2.195 10 0 BEAERN CC[C@@H](NC)c1nc(CC(C)(C)C)no1 ZINC000082673392 643364292 /nfs/dbraw/zinc/36/42/92/643364292.db2.gz BOYNBBDVFRPENW-MRVPVSSYSA-N 0 0 211.309 2.329 10 0 BEAERN CCC[C@@H](N)c1nc(CC(C)(C)C)no1 ZINC000082673265 643364770 /nfs/dbraw/zinc/36/47/70/643364770.db2.gz LTEXEKXOOFIEBN-MRVPVSSYSA-N 0 0 211.309 2.458 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)OCC(C)(C)Br ZINC000757211043 643370690 /nfs/dbraw/zinc/37/06/90/643370690.db2.gz NCIGNRWSLFWWOQ-RQJHMYQMSA-N 0 0 235.121 2.359 10 0 BEAERN CC[C@H]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000082847981 643386759 /nfs/dbraw/zinc/38/67/59/643386759.db2.gz BXZFWMRQEILTQS-QWRGUYRKSA-N 0 0 221.304 2.410 10 0 BEAERN Cc1ccc(C)c(C(=O)CNC(=O)C(C)C)c1 ZINC000049822857 643464012 /nfs/dbraw/zinc/46/40/12/643464012.db2.gz AOPBGDDMEQXWLE-UHFFFAOYSA-N 0 0 233.311 2.258 10 0 BEAERN CC(Cl)(Cl)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000307535784 643497946 /nfs/dbraw/zinc/49/79/46/643497946.db2.gz NSEKPFFNTKDXOY-RQJHMYQMSA-N 0 0 222.115 2.191 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(O)c1 ZINC000234153786 643532497 /nfs/dbraw/zinc/53/24/97/643532497.db2.gz MGNNRUKTNYNIGZ-DGCLKSJQSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)O)ccc1Cl ZINC000346409460 643559977 /nfs/dbraw/zinc/55/99/77/643559977.db2.gz MOCLEOSVZDYDEI-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1cc(N(C)C2CCC(C)CC2)nc(N)[nH+]1 ZINC000045724577 643559987 /nfs/dbraw/zinc/55/99/87/643559987.db2.gz UZTDQLIXBUUODK-UHFFFAOYSA-N 0 0 234.347 2.382 10 0 BEAERN CCc1sc(C(=O)N[C@@H](C)[C@@H](C)O)cc1C ZINC000346466625 643571194 /nfs/dbraw/zinc/57/11/94/643571194.db2.gz JCAGLXZGSJTMIW-DTWKUNHWSA-N 0 0 241.356 2.118 10 0 BEAERN Cc1oc(C)c(-c2[nH]nc(N)c2C)c1C ZINC000083521072 643582735 /nfs/dbraw/zinc/58/27/35/643582735.db2.gz IUCWISOLJMURGJ-UHFFFAOYSA-N 0 0 205.261 2.486 10 0 BEAERN FC(F)(F)c1nc2n(n1)[C@@H]1CCC[C@@H]1CN2 ZINC000236116090 643592867 /nfs/dbraw/zinc/59/28/67/643592867.db2.gz YKEJUWCCRISHOT-PHDIDXHHSA-N 0 0 232.209 2.064 10 0 BEAERN FC(F)(F)c1cn2c(n1)N[C@@H]1CCC[C@H]1C2 ZINC000236175529 643608705 /nfs/dbraw/zinc/60/87/05/643608705.db2.gz GSPBVUAMJGQVSX-NKWVEPMBSA-N 0 0 231.221 2.496 10 0 BEAERN COC[C@@H](Cn1cc(Cl)c(N)n1)C(C)C ZINC000721745318 643664710 /nfs/dbraw/zinc/66/47/10/643664710.db2.gz ZBXFCDDHBZWIMT-MRVPVSSYSA-N 0 0 231.727 2.037 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1cc(C)ccn1 ZINC000050374513 643691597 /nfs/dbraw/zinc/69/15/97/643691597.db2.gz PEJKTIRQJRIIJH-QWRGUYRKSA-N 0 0 206.289 2.369 10 0 BEAERN CC(C)(C)COC(=O)CC1CCOCC1 ZINC000117533798 643961329 /nfs/dbraw/zinc/96/13/29/643961329.db2.gz MQRRYJOUKVGOAP-UHFFFAOYSA-N 0 0 214.305 2.392 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000192239370 644138749 /nfs/dbraw/zinc/13/87/49/644138749.db2.gz GBPYCOTVXFAVGT-GHMZBOCLSA-N 0 0 237.299 2.039 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OC1(C2CC2)CC1 ZINC000192240518 644140212 /nfs/dbraw/zinc/14/02/12/644140212.db2.gz NJBJNWYWMGNBOH-ONGXEEELSA-N 0 0 224.300 2.287 10 0 BEAERN C[C@H](OC(=O)c1ccsc1)[C@@H]1CCOC1 ZINC000079175553 644159044 /nfs/dbraw/zinc/15/90/44/644159044.db2.gz LJWKRTHEXDQYFZ-DTWKUNHWSA-N 0 0 226.297 2.330 10 0 BEAERN C[C@H](OC(=O)/C=C/c1ccco1)[C@@H]1CCOC1 ZINC000079176682 644159343 /nfs/dbraw/zinc/15/93/43/644159343.db2.gz ZGUAJYDDBNPLCH-BXXZLRJFSA-N 0 0 236.267 2.261 10 0 BEAERN COCc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000192578777 644166852 /nfs/dbraw/zinc/16/68/52/644166852.db2.gz XLGWFBOUDGGVNS-SKDRFNHKSA-N 0 0 234.299 2.363 10 0 BEAERN COCc1ccc(NC(=O)[C@@H](C)COC)cc1 ZINC000195260666 644373780 /nfs/dbraw/zinc/37/37/80/644373780.db2.gz RTSJPEJQHOIDNF-JTQLQIEISA-N 0 0 237.299 2.054 10 0 BEAERN CCc1ccc(-c2nn(C)c(N)c2C)o1 ZINC000085826910 644451534 /nfs/dbraw/zinc/45/15/34/644451534.db2.gz AQJQLXHUWDEFMH-UHFFFAOYSA-N 0 0 205.261 2.133 10 0 BEAERN CCCc1[nH]nc(N)c1-c1ccccn1 ZINC000087617211 644500997 /nfs/dbraw/zinc/50/09/97/644500997.db2.gz SXTOEQZTEIHEFR-UHFFFAOYSA-N 0 0 202.261 2.006 10 0 BEAERN CCCc1[nH]nc(N)c1-c1cccnc1 ZINC000087617917 644501675 /nfs/dbraw/zinc/50/16/75/644501675.db2.gz VICJGAFCUZKSEA-UHFFFAOYSA-N 0 0 202.261 2.006 10 0 BEAERN Cc1nc(C)n(-c2ccc(C=O)cc2Cl)n1 ZINC000088041578 644507910 /nfs/dbraw/zinc/50/79/10/644507910.db2.gz KDQANJMVHUWNCW-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN CCOC(=O)c1cnc([C@H](C)CC)nc1C ZINC000230386966 644525416 /nfs/dbraw/zinc/52/54/16/644525416.db2.gz SDGLUDPBGLUBJH-MRVPVSSYSA-N 0 0 222.288 2.475 10 0 BEAERN Cc1n[nH]c(C)c1CCOC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000089282494 644540742 /nfs/dbraw/zinc/54/07/42/644540742.db2.gz MQIIEDSCEQEIHE-CHWSQXEVSA-N 0 0 248.326 2.158 10 0 BEAERN CCC[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248296655 644674328 /nfs/dbraw/zinc/67/43/28/644674328.db2.gz YZZIZQZULFHWEW-AEJSXWLSSA-N 0 0 200.278 2.286 10 0 BEAERN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000248512118 644684111 /nfs/dbraw/zinc/68/41/11/644684111.db2.gz CEOLUNVMEKVATR-WYUUTHIRSA-N 0 0 226.316 2.247 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093280936 644684336 /nfs/dbraw/zinc/68/43/36/644684336.db2.gz NAKCJWLOVJFFCY-SCZZXKLOSA-N 0 0 236.319 2.168 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H]1CCCO[C@H]1C ZINC000249081528 644713408 /nfs/dbraw/zinc/71/34/08/644713408.db2.gz PAGQLTDTAQSMOT-LPEHRKFASA-N 0 0 200.278 2.143 10 0 BEAERN Clc1ncnc2c1nnn2CCC1CCC1 ZINC000757564204 644839089 /nfs/dbraw/zinc/83/90/89/644839089.db2.gz CATFVENVJWVPFE-UHFFFAOYSA-N 0 0 237.694 2.065 10 0 BEAERN C/C=C\Cc1nc(-c2cccc(CO)c2)no1 ZINC000096822790 644839990 /nfs/dbraw/zinc/83/99/90/644839990.db2.gz QLIWOCLVILJMMG-IHWYPQMZSA-N 0 0 230.267 2.348 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@H](N)CC2CC2)n1 ZINC000304340523 644893876 /nfs/dbraw/zinc/89/38/76/644893876.db2.gz IXKWZAUPLYLTMG-DTWKUNHWSA-N 0 0 221.304 2.383 10 0 BEAERN COC[C@H](OC(=O)C=C1CCC1)C1CC1 ZINC000132049585 645852192 /nfs/dbraw/zinc/85/21/92/645852192.db2.gz HDHMFQDSYXWQIS-NSHDSACASA-N 0 0 210.273 2.065 10 0 BEAERN CC(C)(C)CC(=O)OC[C@H]1COC(C)(C)O1 ZINC000132955001 645856722 /nfs/dbraw/zinc/85/67/22/645856722.db2.gz NNVFKAGYTABMCE-VIFPVBQESA-N 0 0 230.304 2.117 10 0 BEAERN C[C@H]1CCC(=O)CN1C/C(Cl)=C/Cl ZINC000725675764 711668771 /nfs/dbraw/zinc/66/87/71/711668771.db2.gz OTWQFCAAKQIYLK-OJKBXMANSA-N 0 0 222.115 2.359 10 0 BEAERN C[C@H](C#N)NC(=O)c1cc(Cl)cc(Cl)n1 ZINC000181919488 711894388 /nfs/dbraw/zinc/89/43/88/711894388.db2.gz BOVQQGGOEMZFNQ-RXMQYKEDSA-N 0 0 244.081 2.030 10 0 BEAERN C[C@H](Nc1ccnc(Cl)c1)c1cn(C)nn1 ZINC000715837241 712535150 /nfs/dbraw/zinc/53/51/50/712535150.db2.gz NMHYDLKDIMIHOA-ZETCQYMHSA-N 0 0 237.694 2.037 10 0 BEAERN CC(=O)OC[C@H](C)COc1ccccc1 ZINC000129340550 712634987 /nfs/dbraw/zinc/63/49/87/712634987.db2.gz KGAMNMOBLJYZEJ-JTQLQIEISA-N 0 0 208.257 2.265 10 0 BEAERN C[C@H]1C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724357742 710739335 /nfs/dbraw/zinc/73/93/35/710739335.db2.gz LLXQGFWJFJZWOJ-IUCAKERBSA-N 0 0 208.305 2.470 10 0 BEAERN COc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)C3 ZINC000038885426 710725531 /nfs/dbraw/zinc/72/55/31/710725531.db2.gz UJBYUZGYWRFQAE-UHFFFAOYSA-N 0 0 244.294 2.081 10 0 BEAERN CCC[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000037182676 711465893 /nfs/dbraw/zinc/46/58/93/711465893.db2.gz MELPYCQXFAQGPW-JTQLQIEISA-N 0 0 227.691 2.465 10 0 BEAERN CCC[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000037182678 711466394 /nfs/dbraw/zinc/46/63/94/711466394.db2.gz MELPYCQXFAQGPW-SNVBAGLBSA-N 0 0 227.691 2.465 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722694341 711466426 /nfs/dbraw/zinc/46/64/26/711466426.db2.gz UMPCXZHBQOSYFZ-GMTAPVOTSA-N 0 0 213.321 2.074 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CNc2ccccc21)C1CC1 ZINC000134027286 711478710 /nfs/dbraw/zinc/47/87/10/711478710.db2.gz FLMXPERLSVLKEN-JOYOIKCWSA-N 0 0 230.311 2.110 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CNc2ccccc21)C1CC1 ZINC000134027503 711478943 /nfs/dbraw/zinc/47/89/43/711478943.db2.gz FLMXPERLSVLKEN-BXKDBHETSA-N 0 0 230.311 2.110 10 0 BEAERN Cc1cccc(-c2cc(=S)[nH]c(=O)[nH]2)c1 ZINC000409437653 711502615 /nfs/dbraw/zinc/50/26/15/711502615.db2.gz ICRLDDMVYCKVNR-UHFFFAOYSA-N 0 0 218.281 2.446 10 0 BEAERN FC(F)(F)CN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723644042 711529423 /nfs/dbraw/zinc/52/94/23/711529423.db2.gz NUSHROBGCGSWEB-IVZWLZJFSA-N 0 0 237.265 2.344 10 0 BEAERN Cc1cnc(CN[C@@H](C)c2cnccn2)c(C)c1 ZINC000724048587 711557855 /nfs/dbraw/zinc/55/78/55/711557855.db2.gz NJGCOKOQNHNIMH-LBPRGKRZSA-N 0 0 242.326 2.339 10 0 BEAERN CCn1cncc1CNCc1ncc(C)cc1C ZINC000724056484 711558448 /nfs/dbraw/zinc/55/84/48/711558448.db2.gz MFAGLVMCODJTMI-UHFFFAOYSA-N 0 0 244.342 2.205 10 0 BEAERN Cc1cnc(CN[C@H](C)c2cn(C)cn2)c(C)c1 ZINC000724070589 711558899 /nfs/dbraw/zinc/55/88/99/711558899.db2.gz MLJLANRYLIESIZ-GFCCVEGCSA-N 0 0 244.342 2.283 10 0 BEAERN Cc1cnnc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000724448084 711580988 /nfs/dbraw/zinc/58/09/88/711580988.db2.gz AWQFHMAPDAMGAL-ZSBIGDGJSA-N 0 0 235.331 2.401 10 0 BEAERN CC(C)(C)[C@H](O)CNc1cc(C(F)F)ncn1 ZINC000724660697 711606740 /nfs/dbraw/zinc/60/67/40/711606740.db2.gz RPPDTMXGQMBRJL-MRVPVSSYSA-N 0 0 245.273 2.233 10 0 BEAERN Cc1nc(C)c(CN2CCO[C@H]3CCCC[C@@H]32)[nH]1 ZINC000724786323 711615105 /nfs/dbraw/zinc/61/51/05/711615105.db2.gz JUYMVBHERSVLAO-KBPBESRZSA-N 0 0 249.358 2.170 10 0 BEAERN Cc1nc(C)c(CN2CCO[C@H]3CCCC[C@H]32)[nH]1 ZINC000724786324 711615140 /nfs/dbraw/zinc/61/51/40/711615140.db2.gz JUYMVBHERSVLAO-KGLIPLIRSA-N 0 0 249.358 2.170 10 0 BEAERN COc1cc(N)cc(-c2ccc(C=O)o2)c1 ZINC000725346326 711663833 /nfs/dbraw/zinc/66/38/33/711663833.db2.gz NOIAZYXNKWJZIR-UHFFFAOYSA-N 0 0 217.224 2.350 10 0 BEAERN CCOCCCNC(=S)N[C@@H](CC)C(C)C ZINC000136201114 711690298 /nfs/dbraw/zinc/69/02/98/711690298.db2.gz PODBMIWDUSXKDP-NSHDSACASA-N 0 0 246.420 2.312 10 0 BEAERN C[C@H](CCn1cccn1)OC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000248481992 711727562 /nfs/dbraw/zinc/72/75/62/711727562.db2.gz BSCBUOJEGMGJKX-KGYLQXTDSA-N 0 0 248.326 2.251 10 0 BEAERN CCCCCNC(C)(C)C(=O)OCC ZINC000121553689 711742414 /nfs/dbraw/zinc/74/24/14/711742414.db2.gz YXCZCYADSQLFEM-UHFFFAOYSA-N 0 0 201.310 2.108 10 0 BEAERN CCCc1nccnc1N1CC[C@H](C(C)(C)O)C1 ZINC000721775814 711769075 /nfs/dbraw/zinc/76/90/75/711769075.db2.gz INVQNOGUTNATTI-NSHDSACASA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1N1CC[C@@H](C(C)(C)O)C1 ZINC000721775811 711769279 /nfs/dbraw/zinc/76/92/79/711769279.db2.gz INVQNOGUTNATTI-LLVKDONJSA-N 0 0 249.358 2.026 10 0 BEAERN CCCCOC(=O)CN1CCOc2ccccc21 ZINC000060857033 711836549 /nfs/dbraw/zinc/83/65/49/711836549.db2.gz BXJSPPBKMGXQNM-UHFFFAOYSA-N 0 0 249.310 2.229 10 0 BEAERN Cc1cnc(CN[C@@H]2COc3ccccc32)o1 ZINC000700362572 711990859 /nfs/dbraw/zinc/99/08/59/711990859.db2.gz SOYZTBNVNJSJLL-LLVKDONJSA-N 0 0 230.267 2.206 10 0 BEAERN Cc1ccc(O)cc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000706749811 712154119 /nfs/dbraw/zinc/15/41/19/712154119.db2.gz KIWFKJCFISFYQU-ZWNOBZJWSA-N 0 0 231.295 2.325 10 0 BEAERN O=C(c1csc(Cl)n1)N1C[C@@H]2CCC[C@H]21 ZINC000706901110 712159737 /nfs/dbraw/zinc/15/97/37/712159737.db2.gz ZVQSHIDZCGGFOD-POYBYMJQSA-N 0 0 242.731 2.421 10 0 BEAERN CCC[C@@H](NC1CC(SC)C1)C(=O)OCC ZINC000707021951 712164323 /nfs/dbraw/zinc/16/43/23/712164323.db2.gz MCAAWFINODPVTF-VQXHTEKXSA-N 0 0 245.388 2.202 10 0 BEAERN CCCOC(=O)NC1CC(SC)C1 ZINC000707103066 712165623 /nfs/dbraw/zinc/16/56/23/712165623.db2.gz WPDSZAITZVOCQV-UHFFFAOYSA-N 0 0 203.307 2.017 10 0 BEAERN CSC1CC(Nc2cc(C)nc(F)n2)C1 ZINC000707192892 712166377 /nfs/dbraw/zinc/16/63/77/712166377.db2.gz FNYQOFLSCJOCQK-UHFFFAOYSA-N 0 0 227.308 2.230 10 0 BEAERN CC(=O)C1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000707766350 712177784 /nfs/dbraw/zinc/17/77/84/712177784.db2.gz DCKQEIAZWAZOEC-GWCFXTLKSA-N 0 0 237.343 2.250 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707804103 712178217 /nfs/dbraw/zinc/17/82/17/712178217.db2.gz BSIMONGDUFDUER-ZYHUDNBSSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000707803982 712178404 /nfs/dbraw/zinc/17/84/04/712178404.db2.gz ALSYQRKCPKZVEA-SNVBAGLBSA-N 0 0 237.324 2.189 10 0 BEAERN CCC[C@H](C)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707804867 712179158 /nfs/dbraw/zinc/17/91/58/712179158.db2.gz GGIWXYFBHSWCOG-JQWIXIFHSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000707806013 712179354 /nfs/dbraw/zinc/17/93/54/712179354.db2.gz KMOAXJHMUSAPSE-LBPRGKRZSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2occc2C)C1 ZINC000707831291 712179608 /nfs/dbraw/zinc/17/96/08/712179608.db2.gz CKILMUPEYNDZRZ-NSHDSACASA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC000707861463 712180448 /nfs/dbraw/zinc/18/04/48/712180448.db2.gz QZBSYPNEZIEWJR-ZDUSSCGKSA-N 0 0 249.354 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC000707848404 712180593 /nfs/dbraw/zinc/18/05/93/712180593.db2.gz RZGXAIUEKFUQJX-LLVKDONJSA-N 0 0 237.343 2.250 10 0 BEAERN CCc1ncnc(NC2CC(SC)C2)c1F ZINC000708258546 712184739 /nfs/dbraw/zinc/18/47/39/712184739.db2.gz RLPQLLRFYJNVLT-UHFFFAOYSA-N 0 0 241.335 2.484 10 0 BEAERN CSC1CC(Nc2ncncc2Cl)C1 ZINC000708270518 712184866 /nfs/dbraw/zinc/18/48/66/712184866.db2.gz SPDXHWPNVDOHLN-UHFFFAOYSA-N 0 0 229.736 2.436 10 0 BEAERN CSC1CC(Nc2nc(C)cc(C)n2)C1 ZINC000708292258 712185394 /nfs/dbraw/zinc/18/53/94/712185394.db2.gz YCZJFMYAZVSJDY-UHFFFAOYSA-N 0 0 223.345 2.399 10 0 BEAERN CSC1CC(Nc2ncnc3c2CCC3)C1 ZINC000708322653 712186290 /nfs/dbraw/zinc/18/62/90/712186290.db2.gz AXGLETLVGKPFCR-UHFFFAOYSA-N 0 0 235.356 2.271 10 0 BEAERN CCC[C@H]1CCCN(C(=O)n2ccnc2)C1 ZINC000708459273 712195150 /nfs/dbraw/zinc/19/51/50/712195150.db2.gz NMUDOHWBEPYJJE-NSHDSACASA-N 0 0 221.304 2.363 10 0 BEAERN O=C(n1ccnc1)N1CC[C@@H](C2CCCC2)C1 ZINC000708864067 712201197 /nfs/dbraw/zinc/20/11/97/712201197.db2.gz ZQHQLGKLPUVXHM-GFCCVEGCSA-N 0 0 233.315 2.363 10 0 BEAERN O=C(n1ccnc1)N1CC[C@H](C2CCCC2)C1 ZINC000708864069 712201246 /nfs/dbraw/zinc/20/12/46/712201246.db2.gz ZQHQLGKLPUVXHM-LBPRGKRZSA-N 0 0 233.315 2.363 10 0 BEAERN C[C@H]1COC[C@H]1Nc1cccc(-n2cccn2)c1 ZINC000710837476 712257947 /nfs/dbraw/zinc/25/79/47/712257947.db2.gz GPRLKLMNILJBJV-SMDDNHRTSA-N 0 0 243.310 2.319 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC000710939741 712266695 /nfs/dbraw/zinc/26/66/95/712266695.db2.gz VJJDRXFSYAVISU-OWYJLGKBSA-N 0 0 249.354 2.394 10 0 BEAERN Cc1ccccc1N[C@H](C)C[C@H]1CCC(=O)N1 ZINC000379756736 712397596 /nfs/dbraw/zinc/39/75/96/712397596.db2.gz WRGGSIWFXWMLES-VXGBXAGGSA-N 0 0 232.327 2.464 10 0 BEAERN O=S(=O)(/C=C\c1ccccc1)NC1CCC1 ZINC000712358828 712402996 /nfs/dbraw/zinc/40/29/96/712402996.db2.gz VXEZXPPNTVAHBW-KTKRTIGZSA-N 0 0 237.324 2.129 10 0 BEAERN CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)[C@H]1C[C@@H]1C ZINC000712939080 712450359 /nfs/dbraw/zinc/45/03/59/712450359.db2.gz WZWQUEYFKVOCRR-WKBUVWPXSA-N 0 0 237.343 2.264 10 0 BEAERN C=C/C=C\CCNC(=O)C1C[C@H]2C[C@H]2C1 ZINC000713500412 712463563 /nfs/dbraw/zinc/46/35/63/712463563.db2.gz ZAFBPECWCQAPQA-MNFYAABJSA-N 0 0 205.301 2.281 10 0 BEAERN COCC1CC(Nc2cnc3ccccc3n2)C1 ZINC000713943118 712474128 /nfs/dbraw/zinc/47/41/28/712474128.db2.gz MDALHTXIZGDXLE-UHFFFAOYSA-N 0 0 243.310 2.467 10 0 BEAERN COCC1CC(NC(=O)NC2CCCCC2)C1 ZINC000713990085 712476522 /nfs/dbraw/zinc/47/65/22/712476522.db2.gz LISJIBLBTITAJF-UHFFFAOYSA-N 0 0 240.347 2.043 10 0 BEAERN Nc1ccc(-c2nc3c(s2)COCC3)cc1 ZINC000036912231 712511918 /nfs/dbraw/zinc/51/19/18/712511918.db2.gz WYSQOFBJAKGCCU-UHFFFAOYSA-N 0 0 232.308 2.465 10 0 BEAERN CCCc1noc([C@H]2Cc3ccccc3CN2)n1 ZINC000036915769 712515361 /nfs/dbraw/zinc/51/53/61/712515361.db2.gz WBOLUDLWJQXRQA-GFCCVEGCSA-N 0 0 243.310 2.409 10 0 BEAERN C[C@@H](N[C@H](C)c1cccc(F)c1)c1cn(C)nn1 ZINC000715882082 712539884 /nfs/dbraw/zinc/53/98/84/712539884.db2.gz KFPZJZGOUHTBNJ-NXEZZACHSA-N 0 0 248.305 2.366 10 0 BEAERN COC1CC(Nc2nccc(C(C)(C)C)n2)C1 ZINC000380095683 712685973 /nfs/dbraw/zinc/68/59/73/712685973.db2.gz HSMJPTXQWLCGPT-UHFFFAOYSA-N 0 0 235.331 2.363 10 0 BEAERN O=C([C@H]1CCC=CCCC1)N1CC=CCN1 ZINC000719065721 712794722 /nfs/dbraw/zinc/79/47/22/712794722.db2.gz PNLGLODBPYVUPC-LBPRGKRZSA-N 0 0 220.316 2.026 10 0 BEAERN Cc1ccc(F)cc1CN[C@@H](C)c1cn(C)nn1 ZINC000720602751 712857333 /nfs/dbraw/zinc/85/73/33/712857333.db2.gz NEVYBDAZFADVGM-JTQLQIEISA-N 0 0 248.305 2.113 10 0 BEAERN C[C@@H]1OCC[C@H]1OC(=O)/C=C\c1ccco1 ZINC000588492994 958824815 /nfs/dbraw/zinc/82/48/15/958824815.db2.gz SSBGIGNLWSYCOB-ZDTBXWBLSA-N 0 0 222.240 2.013 10 0 BEAERN CNc1ccc(C(=O)N[C@@H]2CC[C@H](C)C2)nc1 ZINC000129342104 1166174962 /nfs/dbraw/zinc/17/49/62/1166174962.db2.gz HLPKHZCXZSUTLI-VHSXEESVSA-N 0 0 233.315 2.042 10 0 BEAERN CCn1cccc1C(=O)Nc1ccc(O)cc1 ZINC000036855593 1166524414 /nfs/dbraw/zinc/52/44/14/1166524414.db2.gz UFBHNWRGXOFPEW-UHFFFAOYSA-N 0 0 230.267 2.466 10 0 BEAERN CC(C)C1(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000687530406 954617814 /nfs/dbraw/zinc/61/78/14/954617814.db2.gz VHALDBVOQOGSNH-RYUDHWBXSA-N 0 0 239.359 2.465 10 0 BEAERN CC(C)[C@H]([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000688392534 954626282 /nfs/dbraw/zinc/62/62/82/954626282.db2.gz RPKYHUDJIVKHOD-NSHDSACASA-N 0 0 213.321 2.266 10 0 BEAERN C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])CS1 ZINC000689554715 954661245 /nfs/dbraw/zinc/66/12/45/954661245.db2.gz LYBAPPXPUACZIC-NXEZZACHSA-N 0 0 245.388 2.361 10 0 BEAERN O=C([O-])CCCC[NH2+][C@H]1CCCSCC1 ZINC000692346258 954696597 /nfs/dbraw/zinc/69/65/97/954696597.db2.gz ISPPDFHWGXQDMV-JTQLQIEISA-N 0 0 231.361 2.117 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]CCc2ccoc2)cc1 ZINC000701400366 954882499 /nfs/dbraw/zinc/88/24/99/954882499.db2.gz BVVDHPRYWPOGJV-UHFFFAOYSA-N 0 0 245.278 2.310 10 0 BEAERN CC(C)CC1([NH2+][C@H](C(=O)[O-])C2CC2)CC1 ZINC000701909380 954892063 /nfs/dbraw/zinc/89/20/63/954892063.db2.gz CQBRNRMVJCALTG-JTQLQIEISA-N 0 0 211.305 2.018 10 0 BEAERN CC[N@H+](CCC(C)(C)C)[C@H](C)C(=O)[O-] ZINC000707956730 954987649 /nfs/dbraw/zinc/98/76/49/954987649.db2.gz JWURHKOMBCCQDR-SECBINFHSA-N 0 0 201.310 2.218 10 0 BEAERN CC(C)c1nc(C[NH2+]C[C@H](C)C(=O)[O-])cs1 ZINC000707859242 954975692 /nfs/dbraw/zinc/97/56/92/954975692.db2.gz RBAMBMWAELYSOI-QMMMGPOBSA-N 0 0 242.344 2.077 10 0 BEAERN C[C@@H]1CC[N@H+](CC2=CCCC2)C[C@@H]1C(=O)[O-] ZINC000710495473 955026711 /nfs/dbraw/zinc/02/67/11/955026711.db2.gz NQSZMSHSEZBQHX-PWSUYJOCSA-N 0 0 223.316 2.139 10 0 BEAERN C=C/C=C/CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000713705555 955098285 /nfs/dbraw/zinc/09/82/85/955098285.db2.gz ZBFHBFYFWJDAPX-ONEGZZNKSA-N 0 0 223.316 2.352 10 0 BEAERN Cc1coc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000718088120 955154683 /nfs/dbraw/zinc/15/46/83/955154683.db2.gz WWUVTJJMUZNZJJ-QWRGUYRKSA-N 0 0 237.299 2.273 10 0 BEAERN CC[C@H](C[C@@H](C)O)NC(=O)OC(C)(C)C ZINC000034510769 957715798 /nfs/dbraw/zinc/71/57/98/957715798.db2.gz TUOHMCNHHUDBAX-RKDXNWHRSA-N 0 0 217.309 2.061 10 0 BEAERN O=C(/C=C\c1ccncn1)Oc1cccc(F)c1 ZINC000588435385 958504430 /nfs/dbraw/zinc/50/44/30/958504430.db2.gz XWOVPHVWRMGTMZ-PLNGDYQASA-N 0 0 244.225 2.235 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OC[C@@H]1CCCO1 ZINC000588455308 958579630 /nfs/dbraw/zinc/57/96/30/958579630.db2.gz RWFIWQRIJPQOPD-DGMVEKRQSA-N 0 0 247.294 2.125 10 0 BEAERN CCCOC(=O)/C=C\c1ncccc1C ZINC000588455166 958582165 /nfs/dbraw/zinc/58/21/65/958582165.db2.gz HWTPFIVTBFXUJJ-SREVYHEPSA-N 0 0 205.257 2.356 10 0 BEAERN CO[C@H](C)CCOC(=O)/C=C\c1ncccc1C ZINC000588456294 958588412 /nfs/dbraw/zinc/58/84/12/958588412.db2.gz FYZYOJNJSXJZTA-ZHRWSRJISA-N 0 0 249.310 2.371 10 0 BEAERN COC(=O)[C@H](OC(=O)/C=C\C(C)(C)C)C1CC1 ZINC000588457862 958602425 /nfs/dbraw/zinc/60/24/25/958602425.db2.gz RDJPUYWLMSAJHK-SKVAFPRGSA-N 0 0 240.299 2.084 10 0 BEAERN C/C=C\COC(=O)c1ccc(-n2ccnc2)nc1 ZINC000588513989 958880491 /nfs/dbraw/zinc/88/04/91/958880491.db2.gz HLDVZSHKKGFFOA-IHWYPQMZSA-N 0 0 243.266 2.000 10 0 BEAERN C/C=C(\CC)C(=O)O[C@H](COC)C1CC1 ZINC000588570005 959259044 /nfs/dbraw/zinc/25/90/44/959259044.db2.gz JLEXPYABUKJEJJ-VCFDLTMXSA-N 0 0 212.289 2.311 10 0 BEAERN CCO[C@@H]1C[C@@H]1COC(=O)/C=C\c1cccnc1 ZINC000588599869 959573421 /nfs/dbraw/zinc/57/34/21/959573421.db2.gz ICDDRFSGLYTYCH-NTQVKLLNSA-N 0 0 247.294 2.063 10 0 BEAERN O=C(NCC[C@H]1CNc2ccccc21)NC1CC1 ZINC000054457109 963990431 /nfs/dbraw/zinc/99/04/31/963990431.db2.gz DQQJBSFQLWDBCB-JTQLQIEISA-N 0 0 245.326 2.047 10 0 BEAERN Nc1cccnc1-c1nc(-c2cccs2)no1 ZINC000132884975 967740053 /nfs/dbraw/zinc/74/00/53/967740053.db2.gz CABAFDIOZUKIJA-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN O=C([O-])CCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710925181 969050668 /nfs/dbraw/zinc/05/06/68/969050668.db2.gz NKBGZRJUYDMJAI-JGPRNRPPSA-N 0 0 211.305 2.020 10 0 BEAERN CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC000712395328 969062602 /nfs/dbraw/zinc/06/26/02/969062602.db2.gz IBNHEBCIRIMEQF-XWLWVQCSSA-N 0 0 211.305 2.018 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@H](C)CC1CCCC1 ZINC000712514601 969062783 /nfs/dbraw/zinc/06/27/83/969062783.db2.gz LFNUAHOYRUMFAK-NXEZZACHSA-N 0 0 213.321 2.408 10 0 BEAERN C[C@@H]1[C@H](C)C[N@H+](CCC(C)(C)C(=O)[O-])[C@H]1C ZINC000399815008 973242258 /nfs/dbraw/zinc/24/22/58/973242258.db2.gz YDPURPAEGSDAOW-MXWKQRLJSA-N 0 0 227.348 2.464 10 0 BEAERN CO[C@@H](C)C[N@H+](CCC(C)(C)C(=O)[O-])C(C)C ZINC000688113393 976169807 /nfs/dbraw/zinc/16/98/07/976169807.db2.gz CUOACUPWRDSLRZ-NSHDSACASA-N 0 0 245.363 2.233 10 0 BEAERN CC[C@](C)([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000688391404 976176538 /nfs/dbraw/zinc/17/65/38/976176538.db2.gz HNVPDVFSXVEIAT-LBPRGKRZSA-N 0 0 213.321 2.410 10 0 BEAERN CC[C@@](C)([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000688391403 976176712 /nfs/dbraw/zinc/17/67/12/976176712.db2.gz HNVPDVFSXVEIAT-GFCCVEGCSA-N 0 0 213.321 2.410 10 0 BEAERN CC1(C)C[NH+](Cc2csc(C(=O)[O-])c2)C1 ZINC000689187570 976241351 /nfs/dbraw/zinc/24/13/51/976241351.db2.gz MBRJRXOFKVLRTG-UHFFFAOYSA-N 0 0 225.313 2.288 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000689346868 976251691 /nfs/dbraw/zinc/25/16/91/976251691.db2.gz OQNMQGLKDXZFEQ-SCZZXKLOSA-N 0 0 235.274 2.265 10 0 BEAERN C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635246 976379375 /nfs/dbraw/zinc/37/93/75/976379375.db2.gz TVBHSVUNQYWRSM-OUAUKWLOSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)(C)[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691868621 976387347 /nfs/dbraw/zinc/38/73/47/976387347.db2.gz SABGIXDWWQEFGA-ZJUUUORDSA-N 0 0 243.347 2.033 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691934942 976390798 /nfs/dbraw/zinc/39/07/98/976390798.db2.gz BMJUCFCUDMCOLD-QWRGUYRKSA-N 0 0 243.347 2.177 10 0 BEAERN CCCC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691934941 976390983 /nfs/dbraw/zinc/39/09/83/976390983.db2.gz BMJUCFCUDMCOLD-MNOVXSKESA-N 0 0 243.347 2.177 10 0 BEAERN CCCC[C@H]([NH2+]CC1SCCS1)C(=O)[O-] ZINC000693397060 976618878 /nfs/dbraw/zinc/61/88/78/976618878.db2.gz WVJSYYJHQRSRRP-QMMMGPOBSA-N 0 0 249.401 2.026 10 0 BEAERN CC[C@H](C)C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC000694004026 976662033 /nfs/dbraw/zinc/66/20/33/976662033.db2.gz JPYRMTDAFCTRPH-VIFPVBQESA-N 0 0 201.310 2.218 10 0 BEAERN CC1CC(C[N@H+](C)C(C)(C)CC(=O)[O-])C1 ZINC000694008171 976662301 /nfs/dbraw/zinc/66/23/01/976662301.db2.gz NLCRMVPRHVSNNU-UHFFFAOYSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CCc1ccccc1F ZINC000694073888 976666687 /nfs/dbraw/zinc/66/66/87/976666687.db2.gz AELXORAFLBYEIH-UHFFFAOYSA-N 0 0 239.290 2.211 10 0 BEAERN Cc1ncc(C[N@@H+](C)C(C)(C)CC(=O)[O-])s1 ZINC000703311009 977162116 /nfs/dbraw/zinc/16/21/16/977162116.db2.gz DQXHOXJUTMZEJH-UHFFFAOYSA-N 0 0 242.344 2.137 10 0 BEAERN Cc1cc(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])ccn1 ZINC000703493078 977166852 /nfs/dbraw/zinc/16/68/52/977166852.db2.gz PHYNIFNCUNTNOA-ZDUSSCGKSA-N 0 0 248.326 2.219 10 0 BEAERN Cc1cc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])ccn1 ZINC000703493077 977167222 /nfs/dbraw/zinc/16/72/22/977167222.db2.gz PHYNIFNCUNTNOA-CYBMUJFWSA-N 0 0 248.326 2.219 10 0 BEAERN CC[C@](C)([NH2+]Cc1ncccc1Cl)C(=O)[O-] ZINC000703894785 977209379 /nfs/dbraw/zinc/20/93/79/977209379.db2.gz LBCRNIYDBIJLAD-NSHDSACASA-N 0 0 242.706 2.078 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000706039061 977305763 /nfs/dbraw/zinc/30/57/63/977305763.db2.gz RREHHZIMSSKQMP-JMIGTNQCSA-N 0 0 223.316 2.282 10 0 BEAERN O=C([O-])c1coc(C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000706325606 977312851 /nfs/dbraw/zinc/31/28/51/977312851.db2.gz LXPBXVWBAYZHOP-SSDOTTSWSA-N 0 0 245.225 2.065 10 0 BEAERN CC[N@H+](CC1(C(=O)[O-])CC1)[C@@H](C)C(C)C ZINC000706688082 977358262 /nfs/dbraw/zinc/35/82/62/977358262.db2.gz NGZOJOSOAJWQNZ-JTQLQIEISA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)(CC[N@@H+]1C[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000706759083 977360877 /nfs/dbraw/zinc/36/08/77/977360877.db2.gz BJMFNIWOKYQPCN-GHMZBOCLSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000706774718 977361717 /nfs/dbraw/zinc/36/17/17/977361717.db2.gz NDAOBPKTRYJXOE-IUCAKERBSA-N 0 0 237.274 2.364 10 0 BEAERN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2)[C@H]1C ZINC000706911487 977367666 /nfs/dbraw/zinc/36/76/66/977367666.db2.gz BABVMQCCRZCBFI-SCVCMEIPSA-N 0 0 219.284 2.153 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1F ZINC000707021591 977373550 /nfs/dbraw/zinc/37/35/50/977373550.db2.gz WTNGBNMVZVNRLH-JOYOIKCWSA-N 0 0 235.258 2.118 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000707025257 977373697 /nfs/dbraw/zinc/37/36/97/977373697.db2.gz FDZFSOJRPWDBNE-PELKAZGASA-N 0 0 235.258 2.118 10 0 BEAERN O=C([O-])c1cccc(C[N@@H+]2CCC23CCCC3)n1 ZINC000707215011 977376556 /nfs/dbraw/zinc/37/65/56/977376556.db2.gz MUOFVUAMMWKKAC-UHFFFAOYSA-N 0 0 246.310 2.298 10 0 BEAERN CCC(CC)([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000708332371 977422618 /nfs/dbraw/zinc/42/26/18/977422618.db2.gz WJQUYFXCJMLPNM-SNVBAGLBSA-N 0 0 243.347 2.035 10 0 BEAERN O=C([O-])[C@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC000709961504 977473928 /nfs/dbraw/zinc/47/39/28/977473928.db2.gz WNBUQOCSBIOYNP-GFCCVEGCSA-N 0 0 237.343 2.410 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])N1CCC=C(F)C1 ZINC000710052006 977477278 /nfs/dbraw/zinc/47/72/78/977477278.db2.gz BJPZYJPMZUUZLH-JTQLQIEISA-N 0 0 215.268 2.045 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccsc2)C[C@]1(C)C(=O)[O-] ZINC000710156695 977487541 /nfs/dbraw/zinc/48/75/41/977487541.db2.gz BNZVNADKTDLNMX-CABZTGNLSA-N 0 0 239.340 2.291 10 0 BEAERN CCC[C@@](C)([NH2+]CC[C@H]1CCCCO1)C(=O)[O-] ZINC000711016426 977527483 /nfs/dbraw/zinc/52/74/83/977527483.db2.gz HLKZMHMUQBXSPW-DGCLKSJQSA-N 0 0 243.347 2.179 10 0 BEAERN CC(C)=CC[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711662653 977564848 /nfs/dbraw/zinc/56/48/48/977564848.db2.gz ITJRFOMTADVTTD-YPMHNXCESA-N 0 0 223.316 2.282 10 0 BEAERN Cc1cc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc[nH+]1 ZINC000711681023 977566290 /nfs/dbraw/zinc/56/62/90/977566290.db2.gz GSPVWKAEQHQHBU-OCCSQVGLSA-N 0 0 246.310 2.224 10 0 BEAERN Cc1c(C(=O)[O-])cc(C[NH2+]C[C@@H]2C=CCC2)n1C ZINC000711683803 977567659 /nfs/dbraw/zinc/56/76/59/977567659.db2.gz FNFLELSJMWUSBM-LLVKDONJSA-N 0 0 248.326 2.088 10 0 BEAERN Cc1c(C(=O)[O-])cc(C[NH2+]C[C@H]2C=CCC2)n1C ZINC000711683805 977567741 /nfs/dbraw/zinc/56/77/41/977567741.db2.gz FNFLELSJMWUSBM-NSHDSACASA-N 0 0 248.326 2.088 10 0 BEAERN CCC[C@@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000712485713 977584081 /nfs/dbraw/zinc/58/40/81/977584081.db2.gz NZKRROQNNYKGGZ-YFKTTZPYSA-N 0 0 225.332 2.408 10 0 BEAERN C=C/C=C/CC[NH2+][C@H](CCCC)C(=O)[O-] ZINC000713456468 977636189 /nfs/dbraw/zinc/63/61/89/977636189.db2.gz TWDWEZHAMVWFSN-OKPNEXGHSA-N 0 0 211.305 2.352 10 0 BEAERN C=C/C=C\CC[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000713496490 977640043 /nfs/dbraw/zinc/64/00/43/977640043.db2.gz PZWFNYWSESBYRR-PLNGDYQASA-N 0 0 234.299 2.243 10 0 BEAERN CC[C@](C)([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337839 977667802 /nfs/dbraw/zinc/66/78/02/977667802.db2.gz LSUGFISRMWKFQN-GWCFXTLKSA-N 0 0 243.347 2.177 10 0 BEAERN CCC1(C[NH2+]C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CCC1 ZINC000715243817 977703443 /nfs/dbraw/zinc/70/34/43/977703443.db2.gz FJUSCMQOMCQVEA-BDAKNGLRSA-N 0 0 247.285 2.122 10 0 BEAERN CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715248429 977706876 /nfs/dbraw/zinc/70/68/76/977706876.db2.gz MPGFUVIAIPNITN-DOLQZWNJSA-N 0 0 247.285 2.121 10 0 BEAERN CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715253342 977709512 /nfs/dbraw/zinc/70/95/12/977709512.db2.gz WZZTXQVZTVAHPQ-HRDYMLBCSA-N 0 0 247.285 2.121 10 0 BEAERN C[C@@H]([NH2+][C@H]1CC12CC2)c1ncc(C(=O)[O-])s1 ZINC000715273899 977718977 /nfs/dbraw/zinc/71/89/77/977718977.db2.gz XCRXMTLWMIJINC-SVRRBLITSA-N 0 0 238.312 2.044 10 0 BEAERN C[C@H](C[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC000715589021 977773208 /nfs/dbraw/zinc/77/32/08/977773208.db2.gz AZYBNGGACOWMEJ-IWSPIJDZSA-N 0 0 249.301 2.224 10 0 BEAERN C[C@H](C[NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC000715665176 977777590 /nfs/dbraw/zinc/77/75/90/977777590.db2.gz AZYBNGGACOWMEJ-HLTSFMKQSA-N 0 0 249.301 2.224 10 0 BEAERN O=C([O-])c1cccc(C[NH2+]C2(C3CC3)CCC2)n1 ZINC000717816944 977921598 /nfs/dbraw/zinc/92/15/98/977921598.db2.gz UUTGAUNPNDMABN-UHFFFAOYSA-N 0 0 246.310 2.202 10 0 BEAERN Cc1coc(C[N@@H+](CC(=O)[O-])CC(C)C)c1 ZINC000718053826 977936665 /nfs/dbraw/zinc/93/66/65/977936665.db2.gz QUUGRVTXMMXXKH-UHFFFAOYSA-N 0 0 225.288 2.131 10 0 BEAERN C[C@H]1C[N@H+](CCCC(C)(F)F)C[C@]1(C)C(=O)[O-] ZINC000718636616 977975213 /nfs/dbraw/zinc/97/52/13/977975213.db2.gz KYJOPDFBLPCYMH-ONGXEEELSA-N 0 0 249.301 2.464 10 0 BEAERN O=C([O-])c1cncc(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000721520928 978115371 /nfs/dbraw/zinc/11/53/71/978115371.db2.gz DRYOORQESAQNKY-UHFFFAOYSA-N 0 0 246.310 2.156 10 0 BEAERN C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])C[C@H](C)O1 ZINC000724625130 978232870 /nfs/dbraw/zinc/23/28/70/978232870.db2.gz SMYAPUQWALJYAQ-URLYPYJESA-N 0 0 243.347 2.033 10 0 BEAERN C=CC(=O)Nc1cc(OC)c(OC)cc1C ZINC000036334667 1170913125 /nfs/dbraw/zinc/91/31/25/1170913125.db2.gz SWEZHNCNBBJTTL-UHFFFAOYSA-N 0 0 221.256 2.137 10 0 BEAERN Cc1ccc(NC(=O)c2cc(F)ccc2N)nc1 ZINC000036882903 1170918279 /nfs/dbraw/zinc/91/82/79/1170918279.db2.gz DFWFKQGZXVETMZ-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN C[C@H](C1CC1)N(C)C(=O)c1cc(F)ccc1N ZINC000037504588 1170952622 /nfs/dbraw/zinc/95/26/22/1170952622.db2.gz NCPGCDQURVFDSW-MRVPVSSYSA-N 0 0 236.290 2.278 10 0 BEAERN CCCCNc1ccc(-n2cncn2)cc1 ZINC000037768804 1170970965 /nfs/dbraw/zinc/97/09/65/1170970965.db2.gz IEJMJAHXWVCNGC-UHFFFAOYSA-N 0 0 216.288 2.479 10 0 BEAERN Cc1cc(F)ccc1NC(=O)c1cc(N)ccn1 ZINC000050699732 1171825115 /nfs/dbraw/zinc/82/51/15/1171825115.db2.gz UMEXKIVJXMGWJV-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CNc1ncccc1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000050750007 1171838919 /nfs/dbraw/zinc/83/89/19/1171838919.db2.gz UJDIZONRFYEDPF-WDEREUQCSA-N 0 0 247.342 2.432 10 0 BEAERN CC[C@@H]1Nc2c(C)cccc2C[C@]1(C)O ZINC000685963722 538910457 /nfs/dbraw/zinc/91/04/57/538910457.db2.gz WDDDCYPJKQWVLT-AAEUAGOBSA-N 0 0 205.301 2.493 10 0 BEAERN CCOC(=O)C(F)(F)CSC(C)C ZINC000685955635 538901418 /nfs/dbraw/zinc/90/14/18/538901418.db2.gz MNEVJOZPOHCGBL-UHFFFAOYSA-N 0 0 212.261 2.326 10 0 BEAERN Cc1cc(C=O)nc(C(Cl)(Cl)Cl)n1 ZINC000685956644 538903547 /nfs/dbraw/zinc/90/35/47/538903547.db2.gz XTSPMXSTTWQLRV-UHFFFAOYSA-N 0 0 239.489 2.424 10 0 BEAERN CCC(C)(CC)NC(=O)c1ccc(=O)[nH]c1C ZINC000132434269 168310194 /nfs/dbraw/zinc/31/01/94/168310194.db2.gz RGEYUNSHNULYHO-UHFFFAOYSA-N 0 0 236.315 2.404 10 0 BEAERN CCNCC(F)(F)COC1CCCC1 ZINC000685957283 538904114 /nfs/dbraw/zinc/90/41/14/538904114.db2.gz PPMZIAXHPBLAAU-UHFFFAOYSA-N 0 0 207.264 2.190 10 0 BEAERN CCC[C@@H](C)OCC(F)(F)CNCC ZINC000685957728 538904682 /nfs/dbraw/zinc/90/46/82/538904682.db2.gz ZGWJNOAIBWGZIF-SECBINFHSA-N 0 0 209.280 2.436 10 0 BEAERN COC[C@@H](C)[C@@H]1CC(=O)NC12CCCCC2 ZINC000685959009 538906413 /nfs/dbraw/zinc/90/64/13/538906413.db2.gz INSYZOLLXCTVIL-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN CC[C@H](C)[C@]1(C)CC(=O)NC12CCOCC2 ZINC000685958797 538906569 /nfs/dbraw/zinc/90/65/69/538906569.db2.gz GQWHEQICPPLOMF-JQWIXIFHSA-N 0 0 225.332 2.108 10 0 BEAERN O=C1C[C@@H](c2nccs2)C2(CCCCC2)N1 ZINC000685959728 538906743 /nfs/dbraw/zinc/90/67/43/538906743.db2.gz RINMQKRDKLULMN-VIFPVBQESA-N 0 0 236.340 2.450 10 0 BEAERN C[C@@H]1SCCS[C@@H]1c1nc(Cl)n[nH]1 ZINC000228193486 398136544 /nfs/dbraw/zinc/13/65/44/398136544.db2.gz MZNUSAXVEXWBIA-WHFBIAKZSA-N 0 0 235.765 2.368 10 0 BEAERN CC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685959552 538906885 /nfs/dbraw/zinc/90/68/85/538906885.db2.gz ZOFNUUKKQYZJPC-TVQRCGJNSA-N 0 0 241.331 2.469 10 0 BEAERN CCC[C@]1(C)[C@H](C)C(=O)NC12CCOCC2 ZINC000685960084 538907136 /nfs/dbraw/zinc/90/71/36/538907136.db2.gz YZEODPYHLKXLBD-ZYHUDNBSSA-N 0 0 225.332 2.108 10 0 BEAERN C[C@H]1SCCS[C@H]1c1nc(Cl)n[nH]1 ZINC000228193514 398136902 /nfs/dbraw/zinc/13/69/02/398136902.db2.gz MZNUSAXVEXWBIA-RFZPGFLSSA-N 0 0 235.765 2.368 10 0 BEAERN CCCCC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961129 538908277 /nfs/dbraw/zinc/90/82/77/538908277.db2.gz CEGFIUUZEOVKAQ-AWEZNQCLSA-N 0 0 248.370 2.205 10 0 BEAERN CC(C)(C)OC(=O)NCC(F)(F)C(=O)C1CC1 ZINC000685962399 538909187 /nfs/dbraw/zinc/90/91/87/538909187.db2.gz GSNATEJJSYZMEY-UHFFFAOYSA-N 0 0 249.257 2.126 10 0 BEAERN Cc1cccc2c1N[C@H](C(C)C)[C@@H](O)C2 ZINC000685963264 538909314 /nfs/dbraw/zinc/90/93/14/538909314.db2.gz KMUTXSAORUBNSU-NWDGAFQWSA-N 0 0 205.301 2.349 10 0 BEAERN COc1ccc2c(c1)N[C@@H](C(C)C)[C@@H](O)C2 ZINC000685962930 538909584 /nfs/dbraw/zinc/90/95/84/538909584.db2.gz AMZYGWCHEFTBHJ-STQMWFEESA-N 0 0 221.300 2.049 10 0 BEAERN CCC[C@@H]1Nc2c(C)cccc2C[C@H]1O ZINC000685962950 538909711 /nfs/dbraw/zinc/90/97/11/538909711.db2.gz BJPYHBQNKYSLFZ-NWDGAFQWSA-N 0 0 205.301 2.493 10 0 BEAERN Cc1nc2cccc(Cl)c2cc1NN ZINC000685962988 538909759 /nfs/dbraw/zinc/90/97/59/538909759.db2.gz CRJLPGKQYFCBFF-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccccc2C[C@H]1O ZINC000685963007 538909873 /nfs/dbraw/zinc/90/98/73/538909873.db2.gz CZBBQHOHSNEHJK-ZWKOPEQDSA-N 0 0 205.301 2.430 10 0 BEAERN CCc1nc2c(cccc2OC)cc1NN ZINC000685963138 538910136 /nfs/dbraw/zinc/91/01/36/538910136.db2.gz HJNARMYUJMXLOT-UHFFFAOYSA-N 0 0 217.272 2.091 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H](C1CCC1)N2 ZINC000685963495 538910164 /nfs/dbraw/zinc/91/01/64/538910164.db2.gz QHHCEFUELVVVOQ-KBPBESRZSA-N 0 0 217.312 2.493 10 0 BEAERN CCc1nc2cc(OC)ccc2cc1NN ZINC000685963194 538910180 /nfs/dbraw/zinc/91/01/80/538910180.db2.gz IVTPEZOVSCAGMU-UHFFFAOYSA-N 0 0 217.272 2.091 10 0 BEAERN CCCn1nc2c(c1N)CC(C)(C)CC2 ZINC000685952314 538896509 /nfs/dbraw/zinc/89/65/09/538896509.db2.gz FQLNQHDJSKTUME-UHFFFAOYSA-N 0 0 207.321 2.390 10 0 BEAERN CC[C@@H]1CCc2nn(C3CC3)c(N)c2C1 ZINC000685953061 538896760 /nfs/dbraw/zinc/89/67/60/538896760.db2.gz RRRRXDUCLMUIEM-MRVPVSSYSA-N 0 0 205.305 2.315 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000408084398 136210209 /nfs/dbraw/zinc/21/02/09/136210209.db2.gz PGMNMFFSJZQZRD-IJLUTSLNSA-N 0 0 242.363 2.145 10 0 BEAERN Cc1cccc2c1N[C@H](C1CC1)[C@H](O)C2 ZINC000685963892 538910744 /nfs/dbraw/zinc/91/07/44/538910744.db2.gz ZIKKYFFZVONQBO-DGCLKSJQSA-N 0 0 203.285 2.103 10 0 BEAERN NNc1cc2ccccc2nc1CC1CC1 ZINC000685963878 538910795 /nfs/dbraw/zinc/91/07/95/538910795.db2.gz YYLYBQZKAFFWHR-UHFFFAOYSA-N 0 0 213.284 2.473 10 0 BEAERN C[C@H]1NC(=O)Oc2cn(CC(C)(C)C)nc21 ZINC000685965718 538912421 /nfs/dbraw/zinc/91/24/21/538912421.db2.gz PZWCOBVBRKBDHI-SSDOTTSWSA-N 0 0 223.276 2.092 10 0 BEAERN Oc1cc2ccccc2nc1[C@@H]1CCOC1 ZINC000685963382 538912736 /nfs/dbraw/zinc/91/27/36/538912736.db2.gz NBXBBWHJGOIHPX-SNVBAGLBSA-N 0 0 215.252 2.444 10 0 BEAERN O=C(Cc1ccccc1)[C@@H]1CCCOC1 ZINC000062236785 349462126 /nfs/dbraw/zinc/46/21/26/349462126.db2.gz JKISGWGLMSTORJ-GFCCVEGCSA-N 0 0 204.269 2.225 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000324406239 262789510 /nfs/dbraw/zinc/78/95/10/262789510.db2.gz IXLZEVSCZNPBAW-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN COc1cccc([C@H]2CCN(C(C)=O)C2)c1 ZINC000616611842 349473556 /nfs/dbraw/zinc/47/35/56/349473556.db2.gz GXFQPJXIKBGKSX-LBPRGKRZSA-N 0 0 219.284 2.031 10 0 BEAERN C=CC(=O)Nc1ccc2oc(C)nc2c1 ZINC000036334734 343978849 /nfs/dbraw/zinc/97/88/49/343978849.db2.gz PGHLZBZHBNXPNV-UHFFFAOYSA-N 0 0 202.213 2.261 10 0 BEAERN CCC(CC)(OC)c1ccc[n+]([O-])c1C ZINC000039105794 168332205 /nfs/dbraw/zinc/33/22/05/168332205.db2.gz MIKMLMQATXCGOD-UHFFFAOYSA-N 0 0 209.289 2.290 10 0 BEAERN CCOP(=O)(C[C@H](O)CC)OCC ZINC000196600512 349507146 /nfs/dbraw/zinc/50/71/46/349507146.db2.gz HHDWGFBRTJYZKM-MRVPVSSYSA-N 0 0 210.210 2.023 10 0 BEAERN CN1CCc2ccccc2[C@@H]1c1cccnn1 ZINC000616588696 349498126 /nfs/dbraw/zinc/49/81/26/349498126.db2.gz STXZOEFMZPPCAO-CQSZACIVSA-N 0 0 225.295 2.054 10 0 BEAERN CC(C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000062523673 187323951 /nfs/dbraw/zinc/32/39/51/187323951.db2.gz XPMUAUMUIBLPHN-UHFFFAOYSA-N 0 0 205.257 2.330 10 0 BEAERN CCc1cc2nc3c(c(Cl)n2n1)CCC3 ZINC000071466645 398153038 /nfs/dbraw/zinc/15/30/38/398153038.db2.gz LPQCJEJJVOIGMF-UHFFFAOYSA-N 0 0 221.691 2.434 10 0 BEAERN CCCC[N@@H+]1CCC[C@H](CC(=O)[O-])CC1 ZINC000390116667 398157179 /nfs/dbraw/zinc/15/71/79/398157179.db2.gz CQZZGRQNNYFXFB-NSHDSACASA-N 0 0 213.321 2.363 10 0 BEAERN COC(=O)[C@@H](CCCc1ccccc1)[C@@H](C)O ZINC000071973734 398171510 /nfs/dbraw/zinc/17/15/10/398171510.db2.gz GJUACORXYYKVOH-YPMHNXCESA-N 0 0 236.311 2.179 10 0 BEAERN CC(C)(CC(=O)N[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000645086470 398174844 /nfs/dbraw/zinc/17/48/44/398174844.db2.gz KVTVDIANORNWJY-NWDGAFQWSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(CNc2ccc(N)cc2C)no1 ZINC000044690726 178042961 /nfs/dbraw/zinc/04/29/61/178042961.db2.gz WMOZYCLVFGWCIS-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cn1nc([C@H]2CCCC2(F)F)[nH]c1=S ZINC000306698875 398176406 /nfs/dbraw/zinc/17/64/06/398176406.db2.gz CXWFJOXDDFEFTA-RXMQYKEDSA-N 0 0 219.260 2.007 10 0 BEAERN Cc1cc(Cl)cc(C(N)=S)c1F ZINC000075915071 178062928 /nfs/dbraw/zinc/06/29/28/178062928.db2.gz LMVVEIDNASSOHB-UHFFFAOYSA-N 0 0 203.669 2.422 10 0 BEAERN CN(Cc1nccs1)C[C@@H]1CCC[C@H](O)C1 ZINC000390155748 398164509 /nfs/dbraw/zinc/16/45/09/398164509.db2.gz WMNNTZXVYJAHBW-MNOVXSKESA-N 0 0 240.372 2.126 10 0 BEAERN C[C@H]1Cc2c(nc3scnn23)[C@H](C)C1 ZINC000232280679 398166621 /nfs/dbraw/zinc/16/66/21/398166621.db2.gz YJJDZWXUJQULCO-RNFRBKRXSA-N 0 0 207.302 2.477 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@H]1C[C@H]1C ZINC000137521717 178083623 /nfs/dbraw/zinc/08/36/23/178083623.db2.gz LNXSVISQHBUHNI-KCJUWKMLSA-N 0 0 207.248 2.272 10 0 BEAERN Cc1cc(F)ccc1[C@H]1NC(=O)[C@H]2CCCCN21 ZINC000078758620 178091696 /nfs/dbraw/zinc/09/16/96/178091696.db2.gz LKVVKMZLFZVEEQ-OLZOCXBDSA-N 0 0 248.301 2.117 10 0 BEAERN Cc1cc(N(C)C)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226471 178093776 /nfs/dbraw/zinc/09/37/76/178093776.db2.gz AXGNVNIHUSBRNX-UHFFFAOYSA-N 0 0 230.267 2.307 10 0 BEAERN Cc1cc(N(C)C)nc2ccc(N)cc12 ZINC000049452834 178097154 /nfs/dbraw/zinc/09/71/54/178097154.db2.gz LWXOOSVXJVBNRT-UHFFFAOYSA-N 0 0 201.273 2.191 10 0 BEAERN CC(=O)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000536961005 398199815 /nfs/dbraw/zinc/19/98/15/398199815.db2.gz WQWOAIDTHURVBE-CYBMUJFWSA-N 0 0 231.295 2.327 10 0 BEAERN Cc1cc(N(C)C[C@@H]2CCCO2)ccc1CO ZINC000050583062 178098699 /nfs/dbraw/zinc/09/86/99/178098699.db2.gz BTJLZUWBHTZOFF-AWEZNQCLSA-N 0 0 235.327 2.103 10 0 BEAERN C[C@@H]1C[C@@H](n2cc[nH]c2=S)CS1 ZINC000306780224 398195238 /nfs/dbraw/zinc/19/52/38/398195238.db2.gz PPEMJZZLZYTWEX-RNFRBKRXSA-N 0 0 200.332 2.238 10 0 BEAERN Cc1cc(N(CCCO)C(C)C)ccc1C=O ZINC000050575187 178102072 /nfs/dbraw/zinc/10/20/72/178102072.db2.gz MDYOQHYOIOOJMS-UHFFFAOYSA-N 0 0 235.327 2.405 10 0 BEAERN Cc1cc(N)c2nsnc2c1Br ZINC000064871480 178103828 /nfs/dbraw/zinc/10/38/28/178103828.db2.gz QDDOKOUXZRKMFP-UHFFFAOYSA-N 0 0 244.117 2.344 10 0 BEAERN Cc1cc(N)ccc1N(C)C1CCOCC1 ZINC000057606625 178105343 /nfs/dbraw/zinc/10/53/43/178105343.db2.gz VBDAHWISADBAIV-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@H]1C[C@H]1C ZINC000022143145 178105925 /nfs/dbraw/zinc/10/59/25/178105925.db2.gz ALYWWYKQIUHDID-XCBNKYQSSA-N 0 0 204.273 2.172 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)OCC1CC1 ZINC000019870571 178105982 /nfs/dbraw/zinc/10/59/82/178105982.db2.gz BGBKXFXRNIGCNY-SNVBAGLBSA-N 0 0 248.326 2.331 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@H](C)OCC1CC1 ZINC000019870572 178106001 /nfs/dbraw/zinc/10/60/01/178106001.db2.gz BGBKXFXRNIGCNY-JTQLQIEISA-N 0 0 248.326 2.331 10 0 BEAERN Cc1cc(N)ccc1NC[C@@H]1CCCOC1 ZINC000044981812 178106818 /nfs/dbraw/zinc/10/68/18/178106818.db2.gz FFJLHFZTQDMOOA-NSHDSACASA-N 0 0 220.316 2.416 10 0 BEAERN Cc1cc(N)ccc1SCc1ncon1 ZINC000037193858 178106880 /nfs/dbraw/zinc/10/68/80/178106880.db2.gz BTEAOQOEBOIKFP-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(N)ccc1N[C@H]1CCCC[C@H]1O ZINC000051998568 178107433 /nfs/dbraw/zinc/10/74/33/178107433.db2.gz HRHCTZKWWPUHPD-QWHCGFSZSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(N)ccc1[C@H](N)C(F)(F)F ZINC000072191420 178108091 /nfs/dbraw/zinc/10/80/91/178108091.db2.gz MXOGRNMHUYLOHZ-QMMMGPOBSA-N 0 0 204.195 2.139 10 0 BEAERN Cc1cc(N)cnc1Oc1cccc(CO)c1 ZINC000052813758 178108394 /nfs/dbraw/zinc/10/83/94/178108394.db2.gz FZERNTVDBHCJQS-UHFFFAOYSA-N 0 0 230.267 2.257 10 0 BEAERN [NH3+]C[C@@H](c1ccccc1F)C1(C(=O)[O-])CCC1 ZINC000536954166 398197900 /nfs/dbraw/zinc/19/79/00/398197900.db2.gz PFAVFHQEXSAQNA-JTQLQIEISA-N 0 0 237.274 2.123 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)NCC(F)F)o1 ZINC000073503409 398198673 /nfs/dbraw/zinc/19/86/73/398198673.db2.gz TYIXCKHYKLKGIH-ZETCQYMHSA-N 0 0 232.230 2.213 10 0 BEAERN Cc1cc(N)nn1[C@@H](C)c1ccccc1 ZINC000067799397 178110837 /nfs/dbraw/zinc/11/08/37/178110837.db2.gz MSNRWISJWXQWDX-JTQLQIEISA-N 0 0 201.273 2.383 10 0 BEAERN NC(=O)N1CC[C@@H](c2cccc3cccnc32)C1 ZINC000616612348 349516772 /nfs/dbraw/zinc/51/67/72/349516772.db2.gz SDVDNRNMHHPTTR-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN Cc1cc(N2C[C@@H]3CC=CC[C@H]3C2)ncn1 ZINC000301458030 178121063 /nfs/dbraw/zinc/12/10/63/178121063.db2.gz ZHBCDCWFJNWEDW-RYUDHWBXSA-N 0 0 215.300 2.187 10 0 BEAERN Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000119448531 178136989 /nfs/dbraw/zinc/13/69/89/178136989.db2.gz MYEIBKHAICZBGZ-GHMZBOCLSA-N 0 0 249.314 2.031 10 0 BEAERN Cc1cc(NC(=O)c2ccc(C)c(O)c2)on1 ZINC000019837819 178150401 /nfs/dbraw/zinc/15/04/01/178150401.db2.gz OIZBYPVXCGYZPD-UHFFFAOYSA-N 0 0 232.239 2.249 10 0 BEAERN Cc1cc(NC(=O)c2cccnc2Cl)on1 ZINC000019275871 178151894 /nfs/dbraw/zinc/15/18/94/178151894.db2.gz ACPJEYUBYKZTTK-UHFFFAOYSA-N 0 0 237.646 2.284 10 0 BEAERN Cc1cc(NC(=O)c2cscn2)ccc1N ZINC000062353552 178151942 /nfs/dbraw/zinc/15/19/42/178151942.db2.gz MOFCXVMJBGZCBJ-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1cc(NC2CCOCC2)nc(Cl)n1 ZINC000052814416 178155389 /nfs/dbraw/zinc/15/53/89/178155389.db2.gz LKXCWVOECPZDKS-UHFFFAOYSA-N 0 0 227.695 2.029 10 0 BEAERN Clc1ccccc1NCC1OCCO1 ZINC000306563955 398211285 /nfs/dbraw/zinc/21/12/85/398211285.db2.gz PYCNXVNQAZBQIH-UHFFFAOYSA-N 0 0 213.664 2.125 10 0 BEAERN C[C@H]1OC(C)(C)OC[C@@H]1NC(=O)OC(C)(C)C ZINC000238492875 187330086 /nfs/dbraw/zinc/33/00/86/187330086.db2.gz FOGIIADEKHIPQG-BDAKNGLRSA-N 0 0 245.319 2.051 10 0 BEAERN Cc1cc(NCCc2ccncc2)nc(Cl)n1 ZINC000052814442 178163015 /nfs/dbraw/zinc/16/30/15/178163015.db2.gz CAGSGBFNEUTIRP-UHFFFAOYSA-N 0 0 248.717 2.488 10 0 BEAERN COc1cccc(/C=C/Br)n1 ZINC000606284272 538929677 /nfs/dbraw/zinc/92/96/77/538929677.db2.gz LOHMGAHXHWLDOM-AATRIKPKSA-N 0 0 214.062 2.456 10 0 BEAERN COC(=O)C1(Nc2ccc(C)cc2)CC1 ZINC000234549216 343985668 /nfs/dbraw/zinc/98/56/68/343985668.db2.gz YTJWUELPJZMSFC-UHFFFAOYSA-N 0 0 205.257 2.113 10 0 BEAERN c1nc([C@H]2CCCCN2[C@@H]2C=CCCC2)n[nH]1 ZINC000248591495 187330714 /nfs/dbraw/zinc/33/07/14/187330714.db2.gz RTPJCMUFWGKKPA-VXGBXAGGSA-N 0 0 232.331 2.440 10 0 BEAERN Cc1cc(NCc2ccc3c(c2)OCO3)nn1C ZINC000020350329 178172881 /nfs/dbraw/zinc/17/28/81/178172881.db2.gz XWSDHOYUSKBJCW-UHFFFAOYSA-N 0 0 245.282 2.069 10 0 BEAERN Cc1cc(NCc2ccccn2)nnc1C ZINC000302806502 178173214 /nfs/dbraw/zinc/17/32/14/178173214.db2.gz XBNXPUCYJOLZKD-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN On1c2cc(F)ccc2nc1-c1ccncc1 ZINC000253573436 187331163 /nfs/dbraw/zinc/33/11/63/187331163.db2.gz RKRKMEVXFWKIPL-UHFFFAOYSA-N 0 0 229.214 2.475 10 0 BEAERN C/C=C/C(=O)c1cccc(C(=O)OC)c1 ZINC000379774888 361737680 /nfs/dbraw/zinc/73/76/80/361737680.db2.gz FUKXOPDQCVJWTM-HWKANZROSA-N 0 0 204.225 2.232 10 0 BEAERN Cc1cc(N[C@H]2CCCC[C@@H]2O)ccc1N ZINC000051999053 178189451 /nfs/dbraw/zinc/18/94/51/178189451.db2.gz IJKKSQDGKCIPNQ-STQMWFEESA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(O)c(Br)c(C)c1O ZINC000039097895 178194340 /nfs/dbraw/zinc/19/43/40/178194340.db2.gz WQOUHYODKULQOU-UHFFFAOYSA-N 0 0 217.062 2.477 10 0 BEAERN Cc1nn([C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000070704037 361742308 /nfs/dbraw/zinc/74/23/08/361742308.db2.gz HBOLOLXNJNVLJE-ZJUUUORDSA-N 0 0 214.696 2.321 10 0 BEAERN Cc1cc(Oc2ccc3c(c2)OCO3)ncc1N ZINC000077395409 178214327 /nfs/dbraw/zinc/21/43/27/178214327.db2.gz BNVVUISSEJCGLF-UHFFFAOYSA-N 0 0 244.250 2.493 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189664078 178201114 /nfs/dbraw/zinc/20/11/14/178201114.db2.gz TXZKXHUQIJGJHX-PWSUYJOCSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@H]1OCC[C@H]1C ZINC000152925886 178201454 /nfs/dbraw/zinc/20/14/54/178201454.db2.gz ROVXSQRKEVSTNL-PELKAZGASA-N 0 0 235.283 2.064 10 0 BEAERN Cc1cnc(N)c([C@@H]2CCCC(=O)C2)c1 ZINC000070737710 361748515 /nfs/dbraw/zinc/74/85/15/361748515.db2.gz VWZKDMWEWLLEME-SECBINFHSA-N 0 0 204.273 2.199 10 0 BEAERN Cc1cc(OC2CCOCC2)ccc1N ZINC000040887176 178208668 /nfs/dbraw/zinc/20/86/68/178208668.db2.gz GZGZQYUGLQBHSU-UHFFFAOYSA-N 0 0 207.273 2.135 10 0 BEAERN Cc1nccn1CCOc1ccc(N)c(C)c1 ZINC000049329251 178210574 /nfs/dbraw/zinc/21/05/74/178210574.db2.gz AKHFCPAFLNAWIQ-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN Cc1cc(OCCO)c2cccc(F)c2n1 ZINC000053994811 178211064 /nfs/dbraw/zinc/21/10/64/178211064.db2.gz QRPQABYQWBYPDW-UHFFFAOYSA-N 0 0 221.231 2.053 10 0 BEAERN Nc1nsc(-c2cccc(Cl)c2)n1 ZINC000070839854 361781477 /nfs/dbraw/zinc/78/14/77/361781477.db2.gz AVBMDDKOZJBJPD-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cc1cc(S(C)(=O)=O)ccc1NCC1CC1 ZINC000127948120 178216630 /nfs/dbraw/zinc/21/66/30/178216630.db2.gz JYKGHOKMUKJJMS-UHFFFAOYSA-N 0 0 239.340 2.220 10 0 BEAERN Cc1cc(Sc2cccc(N)c2)n(C)n1 ZINC000052308341 178219558 /nfs/dbraw/zinc/21/95/58/178219558.db2.gz CJYBXHCESSTYDF-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN Cc1cc([C@@H](C(=O)[O-])[NH+](C)C)c(C)s1 ZINC000049687992 178221428 /nfs/dbraw/zinc/22/14/28/178221428.db2.gz QIRMWAMBRYRMAE-VIFPVBQESA-N 0 0 213.302 2.052 10 0 BEAERN O=C(CC1(O)CCCCC1)N1C[C@H]2CCC[C@H]21 ZINC000334196105 136224404 /nfs/dbraw/zinc/22/44/04/136224404.db2.gz KXKCJEZGEXIWBY-VXGBXAGGSA-N 0 0 237.343 2.083 10 0 BEAERN Cc1cc([C@@H](C[NH3+])CC(=O)[O-])c2ccccc2n1 ZINC000092346921 178235718 /nfs/dbraw/zinc/23/57/18/178235718.db2.gz KRDXKQBWFCWGSB-SNVBAGLBSA-N 0 0 244.294 2.060 10 0 BEAERN CC(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151062163 398237875 /nfs/dbraw/zinc/23/78/75/398237875.db2.gz RBWGVLAPEAYBEN-VXGBXAGGSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1cc([C@H]2NC(=O)[C@@H]3CCCCN32)ccc1F ZINC000078758844 178267956 /nfs/dbraw/zinc/26/79/56/178267956.db2.gz SFIBQNFYUCJNRB-STQMWFEESA-N 0 0 248.301 2.117 10 0 BEAERN Cc1cc([C@H]2CNC(=O)O2)ccc1Cl ZINC000075456304 178269099 /nfs/dbraw/zinc/26/90/99/178269099.db2.gz YSUVQSJRPBMKFX-SECBINFHSA-N 0 0 211.648 2.429 10 0 BEAERN CC[C@H](C(=O)C1CCC1)C(OC)OC ZINC000322978798 538940470 /nfs/dbraw/zinc/94/04/70/538940470.db2.gz YQRUGNGADAYNKS-SECBINFHSA-N 0 0 200.278 2.001 10 0 BEAERN Cc1cc2c(cccc2C(N)=S)cn1 ZINC000082771190 178277988 /nfs/dbraw/zinc/27/79/88/178277988.db2.gz CSAZCSWVXHJJLH-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN Cc1cc2c(NCC[C@H]3CCCO3)nccn2n1 ZINC000129236365 178281325 /nfs/dbraw/zinc/28/13/25/178281325.db2.gz TXHYLCVTFCBBDL-LLVKDONJSA-N 0 0 246.314 2.019 10 0 BEAERN Cc1cc2c(cc1Br)oc(=O)n2C ZINC000062152910 178285547 /nfs/dbraw/zinc/28/55/47/178285547.db2.gz NXTRESMKEORRIX-UHFFFAOYSA-N 0 0 242.072 2.202 10 0 BEAERN Cc1cc2c(cc1N)O[C@@H](F)C(F)(F)O2 ZINC000091252491 178289771 /nfs/dbraw/zinc/28/97/71/178289771.db2.gz BHJXWQUYMBMQHZ-MRVPVSSYSA-N 0 0 219.162 2.237 10 0 BEAERN Cc1cc2ccccc2nc1-n1cncn1 ZINC000000019051 178298669 /nfs/dbraw/zinc/29/86/69/178298669.db2.gz NKFVTTOTYDMEQE-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN Cc1cc2cc(Br)ccn2n1 ZINC000082373785 178294438 /nfs/dbraw/zinc/29/44/38/178294438.db2.gz DZEGOCJHDNLGDW-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN CCC(CC)CNc1ncccc1CO ZINC000083345507 168365866 /nfs/dbraw/zinc/36/58/66/168365866.db2.gz IFUPZYOQWYDHGZ-UHFFFAOYSA-N 0 0 208.305 2.422 10 0 BEAERN S=c1[nH]ccn1-c1cncc(Cl)c1 ZINC000575451040 398253947 /nfs/dbraw/zinc/25/39/47/398253947.db2.gz YCIDKVQAVJIFPB-UHFFFAOYSA-N 0 0 211.677 2.209 10 0 BEAERN Cc1ccc(-c2cc(C(N)=O)c(N)s2)cc1 ZINC000146855882 178318608 /nfs/dbraw/zinc/31/86/08/178318608.db2.gz UMLSKLYSFQYAHQ-UHFFFAOYSA-N 0 0 232.308 2.405 10 0 BEAERN Cc1ccc(-c2nn(C)cc2CO)cc1C ZINC000031885722 178339939 /nfs/dbraw/zinc/33/99/39/178339939.db2.gz VZFBOTRLJLPCDZ-UHFFFAOYSA-N 0 0 216.284 2.196 10 0 BEAERN Cc1ccc(-c2nnc([C@H](C)N)o2)cc1F ZINC000050284109 178340502 /nfs/dbraw/zinc/34/05/02/178340502.db2.gz AYZDLBAFJQCWFF-ZETCQYMHSA-N 0 0 221.235 2.204 10 0 BEAERN Cc1ccc(C2N=NC(=S)N2)cc1C ZINC000026472944 178340841 /nfs/dbraw/zinc/34/08/41/178340841.db2.gz IENMAEHJJXCURY-UHFFFAOYSA-N 0 0 205.286 2.377 10 0 BEAERN Cc1ccc(-n2ccnc2)cc1[C@@H](C)O ZINC000039105156 178347281 /nfs/dbraw/zinc/34/72/81/178347281.db2.gz SDQXVTPJJDXALN-SNVBAGLBSA-N 0 0 202.257 2.234 10 0 BEAERN Cc1ccc(-n2nccc2N)cc1Cl ZINC000037245395 178349338 /nfs/dbraw/zinc/34/93/38/178349338.db2.gz HNDMKVWIEWXKCD-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1onc2c1c(-c1ccc(C)cc1)n[nH]c2=O ZINC000049453855 178331157 /nfs/dbraw/zinc/33/11/57/178331157.db2.gz LJFSMENUEUIKCJ-UHFFFAOYSA-N 0 0 241.250 2.195 10 0 BEAERN Cc1ccc(/C=C\C2=NNC(=O)CC2)cc1 ZINC000033336579 178358275 /nfs/dbraw/zinc/35/82/75/178358275.db2.gz JSRXRGNLTUGNFP-SREVYHEPSA-N 0 0 214.268 2.274 10 0 BEAERN Cc1ccc(C(=O)N(C)C(C)C)c(C)n1 ZINC000128544482 178375228 /nfs/dbraw/zinc/37/52/28/178375228.db2.gz ZGZQOCARDNMBNJ-UHFFFAOYSA-N 0 0 206.289 2.179 10 0 BEAERN Cc1ccc(C(=O)Cc2cnn(C)c2)cc1F ZINC000050541849 178375383 /nfs/dbraw/zinc/37/53/83/178375383.db2.gz FDIJVXQROWXWSG-UHFFFAOYSA-N 0 0 232.258 2.293 10 0 BEAERN Cc1ccc(C(=O)N(C)CC2CC(O)C2)cc1C ZINC000091489394 178376286 /nfs/dbraw/zinc/37/62/86/178376286.db2.gz FWVSGHZPASYGKF-UHFFFAOYSA-N 0 0 247.338 2.146 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@H]2CCCO2)s1 ZINC000122830782 178378265 /nfs/dbraw/zinc/37/82/65/178378265.db2.gz OJEOEBREVDWPHS-SNVBAGLBSA-N 0 0 239.340 2.308 10 0 BEAERN CCC1(C(=O)N2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000177599082 538951566 /nfs/dbraw/zinc/95/15/66/538951566.db2.gz AFOXESFNQUDCLG-QWRGUYRKSA-N 0 0 225.332 2.203 10 0 BEAERN CCC1(C(=O)N2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000177599067 538951570 /nfs/dbraw/zinc/95/15/70/538951570.db2.gz AFOXESFNQUDCLG-GHMZBOCLSA-N 0 0 225.332 2.203 10 0 BEAERN CCC(CC)Cn1nc(N)nc1Br ZINC000231802550 538952676 /nfs/dbraw/zinc/95/26/76/538952676.db2.gz BDFROTNINWZTJJ-UHFFFAOYSA-N 0 0 247.140 2.059 10 0 BEAERN C[C@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H](C)O1 ZINC000335084573 136232835 /nfs/dbraw/zinc/23/28/35/136232835.db2.gz CLSPTEBDWNCQRS-UWVGGRQHSA-N 0 0 225.332 2.058 10 0 BEAERN CCC(CC)N(CCO)c1ccc(CO)cc1 ZINC000042511205 168373354 /nfs/dbraw/zinc/37/33/54/168373354.db2.gz LSLCPZIZOKGIJZ-UHFFFAOYSA-N 0 0 237.343 2.166 10 0 BEAERN CC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 ZINC000204079531 538952837 /nfs/dbraw/zinc/95/28/37/538952837.db2.gz XGQKCVRDOWQGOV-UHFFFAOYSA-N 0 0 227.304 2.413 10 0 BEAERN Cc1ccc(C(=O)CO[C@@H]2CCOC2)c(C)c1 ZINC000104122065 178373128 /nfs/dbraw/zinc/37/31/28/178373128.db2.gz MWEGXZLXLPDDPR-GFCCVEGCSA-N 0 0 234.295 2.292 10 0 BEAERN Cc1ccc(C(=O)CO[C@H]2CCOC2)c(C)c1 ZINC000104122068 178373906 /nfs/dbraw/zinc/37/39/06/178373906.db2.gz MWEGXZLXLPDDPR-LBPRGKRZSA-N 0 0 234.295 2.292 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2C3)cc1O ZINC000049716956 178398835 /nfs/dbraw/zinc/39/88/35/178398835.db2.gz HHKWQYQJCVLNSZ-PWSUYJOCSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)c(O)c1 ZINC000336593469 178398850 /nfs/dbraw/zinc/39/88/50/178398850.db2.gz SGZMQXJWBKFQIP-CMPLNLGQSA-N 0 0 231.295 2.325 10 0 BEAERN CCC(CC)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179245150 538955129 /nfs/dbraw/zinc/95/51/29/538955129.db2.gz CTSBRWLVPDFCNL-CHWSQXEVSA-N 0 0 241.375 2.480 10 0 BEAERN Cc1ccc2c(=O)[nH]c(Cl)nc2c1C ZINC000205916778 538957113 /nfs/dbraw/zinc/95/71/13/538957113.db2.gz BWKNNYLSGSXRCC-UHFFFAOYSA-N 0 0 208.648 2.193 10 0 BEAERN CCOC(=O)[C@H]1c2ccccc2CCN1CC ZINC000149376651 346841797 /nfs/dbraw/zinc/84/17/97/346841797.db2.gz DNUPXBIBMSKWMB-CYBMUJFWSA-N 0 0 233.311 2.169 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccon2)o1 ZINC000180492923 538958188 /nfs/dbraw/zinc/95/81/88/538958188.db2.gz UQXDAQCVULYKLK-MRVPVSSYSA-N 0 0 235.243 2.459 10 0 BEAERN C[C@H]1CCC[C@@H](n2c(N)n[nH]c2=S)C1 ZINC000070881510 361834007 /nfs/dbraw/zinc/83/40/07/361834007.db2.gz FHWDJZWVPZWZAU-NKWVEPMBSA-N 0 0 212.322 2.274 10 0 BEAERN COc1ccc(Br)c(N)c1OC ZINC000306645569 361834119 /nfs/dbraw/zinc/83/41/19/361834119.db2.gz FCZWEWKYZHGLTL-UHFFFAOYSA-N 0 0 232.077 2.049 10 0 BEAERN CC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000405489845 538959855 /nfs/dbraw/zinc/95/98/55/538959855.db2.gz BYKJSWDDRDRVHI-LBPRGKRZSA-N 0 0 227.304 2.223 10 0 BEAERN CCC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405519076 538959965 /nfs/dbraw/zinc/95/99/65/538959965.db2.gz VVRDDAQAOWHFPH-NXEZZACHSA-N 0 0 241.331 2.469 10 0 BEAERN CC[C@H](C)C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405515237 538959986 /nfs/dbraw/zinc/95/99/86/538959986.db2.gz MMDDRHMYWBVAGP-VIFPVBQESA-N 0 0 241.331 2.469 10 0 BEAERN CN(CC(=O)CC1CC1)C(=O)OC(C)(C)C ZINC000405492518 538960005 /nfs/dbraw/zinc/96/00/05/538960005.db2.gz LBEYRAYBXVFVOU-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN CN(CC(=O)c1ccco1)C(=O)OC(C)(C)C ZINC000405471958 538960093 /nfs/dbraw/zinc/96/00/93/538960093.db2.gz DEVUITYDJNYKLW-UHFFFAOYSA-N 0 0 239.271 2.329 10 0 BEAERN O=C(c1nccs1)C1CCSCC1 ZINC000143947897 342689180 /nfs/dbraw/zinc/68/91/80/342689180.db2.gz CEROZCRLNMAARZ-UHFFFAOYSA-N 0 0 213.327 2.469 10 0 BEAERN C[C@@H](C(=O)C1CC1)N(C)C(=O)OC(C)(C)C ZINC000405508117 538960165 /nfs/dbraw/zinc/96/01/65/538960165.db2.gz QJDRNRUOZPFHCW-QMMMGPOBSA-N 0 0 227.304 2.221 10 0 BEAERN CCC(CC)NC(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000119970071 168379004 /nfs/dbraw/zinc/37/90/04/168379004.db2.gz KPJRQXAJMQNUEX-PWSUYJOCSA-N 0 0 242.363 2.120 10 0 BEAERN CCC(CC)NC(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000119969931 168379013 /nfs/dbraw/zinc/37/90/13/168379013.db2.gz KPJRQXAJMQNUEX-ZYHUDNBSSA-N 0 0 242.363 2.120 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1OC(F)(F)F ZINC000616613232 349606778 /nfs/dbraw/zinc/60/67/78/349606778.db2.gz QZKVWKSVIPMETE-ZETCQYMHSA-N 0 0 241.209 2.491 10 0 BEAERN CCC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405636523 538960805 /nfs/dbraw/zinc/96/08/05/538960805.db2.gz VVMJNUVBVOIXIV-SECBINFHSA-N 0 0 241.331 2.469 10 0 BEAERN CSCc1ccc(C(=O)N2CC=CCN2)cc1 ZINC000600137458 342688826 /nfs/dbraw/zinc/68/88/26/342688826.db2.gz PHVHYYGSRPVERX-UHFFFAOYSA-N 0 0 248.351 2.066 10 0 BEAERN CCC(=O)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406049419 538962900 /nfs/dbraw/zinc/96/29/00/538962900.db2.gz UTGCRSWVSPJBOJ-NXEZZACHSA-N 0 0 239.315 2.435 10 0 BEAERN CCC(=O)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406049423 538962913 /nfs/dbraw/zinc/96/29/13/538962913.db2.gz UTGCRSWVSPJBOJ-UWVGGRQHSA-N 0 0 239.315 2.435 10 0 BEAERN COc1ccc(OCc2ccccc2)nn1 ZINC000000988226 342695351 /nfs/dbraw/zinc/69/53/51/342695351.db2.gz QWUCGIVQRFZUIT-UHFFFAOYSA-N 0 0 216.240 2.064 10 0 BEAERN CCOC(=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000082714297 398278509 /nfs/dbraw/zinc/27/85/09/398278509.db2.gz XUJFSDUUSBEUKV-GFCCVEGCSA-N 0 0 233.311 2.466 10 0 BEAERN Clc1ccc2nc(-c3ccccc3)nn2n1 ZINC000001366838 342699306 /nfs/dbraw/zinc/69/93/06/342699306.db2.gz URYKSMIKKNQYPQ-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN CC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000405936537 538961576 /nfs/dbraw/zinc/96/15/76/538961576.db2.gz KRWDOHPQNAOVMC-JTQLQIEISA-N 0 0 227.304 2.269 10 0 BEAERN Nc1ccccc1-c1nc(N)c2ccccc2n1 ZINC000001762610 342712215 /nfs/dbraw/zinc/71/22/15/342712215.db2.gz AWFUCSSIHIBPBQ-UHFFFAOYSA-N 0 0 236.278 2.461 10 0 BEAERN CC1(C)CN(c2cc(F)cc(C=O)c2)C1 ZINC000306649741 361846203 /nfs/dbraw/zinc/84/62/03/361846203.db2.gz FERUDZJOTAQCEM-UHFFFAOYSA-N 0 0 207.248 2.484 10 0 BEAERN CCCCN(CCCO)C(=O)N[C@@H](C)C(C)C ZINC000183185027 538966030 /nfs/dbraw/zinc/96/60/30/538966030.db2.gz TXFXIOBXVZGJMA-LBPRGKRZSA-N 0 0 244.379 2.225 10 0 BEAERN C[C@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC000618589779 342731731 /nfs/dbraw/zinc/73/17/31/342731731.db2.gz FNIDVVYXERQHNP-PKIKSRDPSA-N 0 0 229.270 2.194 10 0 BEAERN CCC(CC)NC(=O)c1cccc(N)c1C ZINC000021955833 168385600 /nfs/dbraw/zinc/38/56/00/168385600.db2.gz YERZEYFUQMXRFX-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN Cn1ncc2c1ncc(Cl)c2Br ZINC000157496567 342734769 /nfs/dbraw/zinc/73/47/69/342734769.db2.gz UHAZQKYLBWRYKA-UHFFFAOYSA-N 0 0 246.495 2.384 10 0 BEAERN C[C@H](Nc1ccc(N)cn1)c1ccccn1 ZINC000035694716 342756333 /nfs/dbraw/zinc/75/63/33/342756333.db2.gz KSFVCYOYNCBRSZ-VIFPVBQESA-N 0 0 214.272 2.232 10 0 BEAERN CC(=O)Nc1ccc(-c2cscn2)o1 ZINC000005160818 342758929 /nfs/dbraw/zinc/75/89/29/342758929.db2.gz IBKLVDQIXAWUDL-UHFFFAOYSA-N 0 0 208.242 2.362 10 0 BEAERN CCOC(=O)c1cc2cc(OC)c(F)cc2[nH]1 ZINC000146026327 342765193 /nfs/dbraw/zinc/76/51/93/342765193.db2.gz JVYJYNOZZFGYMO-UHFFFAOYSA-N 0 0 237.230 2.492 10 0 BEAERN N[C@H](Cc1ccccc1Cl)C(F)F ZINC000214681677 342770042 /nfs/dbraw/zinc/77/00/42/342770042.db2.gz ABDLSPXLHBJAPL-MRVPVSSYSA-N 0 0 205.635 2.475 10 0 BEAERN CCOC(=O)c1[nH]c(C)c(Cl)c1C ZINC000005857857 342771017 /nfs/dbraw/zinc/77/10/17/342771017.db2.gz RNGKOJHPUXPCRV-UHFFFAOYSA-N 0 0 201.653 2.462 10 0 BEAERN Cc1ccc(CO)c(I)c1 ZINC000005927494 342771580 /nfs/dbraw/zinc/77/15/80/342771580.db2.gz MQRMMERGHBIYEU-UHFFFAOYSA-N 0 0 248.063 2.092 10 0 BEAERN CC(=O)C(=NNc1ccc(C)cc1C)C(C)=O ZINC000005927411 342771659 /nfs/dbraw/zinc/77/16/59/342771659.db2.gz GNAUILJQFLNAHL-UHFFFAOYSA-N 0 0 232.283 2.249 10 0 BEAERN C[C@@]1(CO)CCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000301481856 398282525 /nfs/dbraw/zinc/28/25/25/398282525.db2.gz FDALHMFMFDKYCR-ONGXEEELSA-N 0 0 241.722 2.093 10 0 BEAERN CCc1c(C)nc(SCC(C)C)[nH]c1=O ZINC000006493539 342778587 /nfs/dbraw/zinc/77/85/87/342778587.db2.gz ZTJQKTIREJBKJO-UHFFFAOYSA-N 0 0 226.345 2.389 10 0 BEAERN Clc1ncccc1NCc1c[nH]cn1 ZINC000054764457 398283063 /nfs/dbraw/zinc/28/30/63/398283063.db2.gz XCZBUNMTRNYCGM-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN Clc1ccc(NC2=NC=NC3=NC=N[C@H]32)cc1 ZINC000006535948 342779085 /nfs/dbraw/zinc/77/90/85/342779085.db2.gz YZJXGTZAHGFWPJ-SECBINFHSA-N 0 0 245.673 2.001 10 0 BEAERN C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2)CO1 ZINC000401412708 342786587 /nfs/dbraw/zinc/78/65/87/342786587.db2.gz SNQFPGYMXUKNQR-WCQYABFASA-N 0 0 248.326 2.053 10 0 BEAERN Nc1cccc(Cc2ccc3c(c2)NC(=O)C3)c1 ZINC000148644283 342791684 /nfs/dbraw/zinc/79/16/84/342791684.db2.gz KYJHTEAICLRECS-UHFFFAOYSA-N 0 0 238.290 2.354 10 0 BEAERN Cc1[nH]c2nc(-c3ccco3)[nH]c(=O)c2c1C ZINC000149084754 342792806 /nfs/dbraw/zinc/79/28/06/342792806.db2.gz FYMAAWZZIZVXCV-UHFFFAOYSA-N 0 0 229.239 2.128 10 0 BEAERN CC(C)Cn1ccc2cc(CO)cnc21 ZINC000149355855 342793072 /nfs/dbraw/zinc/79/30/72/342793072.db2.gz ZBJLTRKUYVHPNE-UHFFFAOYSA-N 0 0 204.273 2.185 10 0 BEAERN N#C[C@@H](NCc1ccccc1)[C@H]1CCCCO1 ZINC000149827103 342794853 /nfs/dbraw/zinc/79/48/53/342794853.db2.gz MLWXFRGPXWBEQL-ZIAGYGMSSA-N 0 0 230.311 2.237 10 0 BEAERN CNc1ncc(C)c(OCc2ccccc2)n1 ZINC000157527591 342796121 /nfs/dbraw/zinc/79/61/21/342796121.db2.gz XZCCPIYHYOZABI-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H]2CC(C)(C)CO2)o1 ZINC000634582370 342798096 /nfs/dbraw/zinc/79/80/96/342798096.db2.gz QNXMCABZZROOLE-QWRGUYRKSA-N 0 0 238.331 2.449 10 0 BEAERN C[C@H]1CCN1c1ccncc1Br ZINC000126992722 342811620 /nfs/dbraw/zinc/81/16/20/342811620.db2.gz KXXYMEOXHDEBMD-ZETCQYMHSA-N 0 0 227.105 2.443 10 0 BEAERN C[C@@H]1CC[C@@H](c2nc(-c3cccnc3)no2)O1 ZINC000350453415 342814323 /nfs/dbraw/zinc/81/43/23/342814323.db2.gz IZUUKPADLLJDGM-SCZZXKLOSA-N 0 0 231.255 2.372 10 0 BEAERN Oc1cccc(Sc2ncns2)c1 ZINC000127048645 342816796 /nfs/dbraw/zinc/81/67/96/342816796.db2.gz GHUDNXGQMCYOBI-UHFFFAOYSA-N 0 0 210.283 2.395 10 0 BEAERN CNc1nc(NC)c(Cl)cc1Cl ZINC000226557685 342822988 /nfs/dbraw/zinc/82/29/88/342822988.db2.gz KODYQLVCBFDQCD-UHFFFAOYSA-N 0 0 206.076 2.472 10 0 BEAERN CN1C(=S)N=NC1CCC1CCCC1 ZINC000002536723 342806314 /nfs/dbraw/zinc/80/63/14/342806314.db2.gz SNWMSIYTGFPEFD-UHFFFAOYSA-N 0 0 211.334 2.227 10 0 BEAERN Nc1csc(Cc2ccccc2F)n1 ZINC000131859091 342834813 /nfs/dbraw/zinc/83/48/13/342834813.db2.gz MPJAZNUKZTWUIF-UHFFFAOYSA-N 0 0 208.261 2.455 10 0 BEAERN CC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000190410898 538989357 /nfs/dbraw/zinc/98/93/57/538989357.db2.gz KFGGFMNGGWGONH-RYUDHWBXSA-N 0 0 225.332 2.060 10 0 BEAERN CCn1cc(-c2csc(C(C)=O)n2)cn1 ZINC000071026814 361931736 /nfs/dbraw/zinc/93/17/36/361931736.db2.gz HQNKPNXCIAIGCE-UHFFFAOYSA-N 0 0 221.285 2.229 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCCC1 ZINC000191679162 538993368 /nfs/dbraw/zinc/99/33/68/538993368.db2.gz UWZFKQQWCLRSQN-CMPLNLGQSA-N 0 0 225.332 2.203 10 0 BEAERN CCOC(=O)[C@]1(CC)O[C@]12CCC[C@@H]1C[C@@H]12 ZINC000380858567 538993410 /nfs/dbraw/zinc/99/34/10/538993410.db2.gz IEPOUPJDMDXFKL-URBCHYCLSA-N 0 0 224.300 2.287 10 0 BEAERN CC(=O)c1cn(-c2cc(F)cc(Cl)c2)nn1 ZINC000380833661 538993432 /nfs/dbraw/zinc/99/34/32/538993432.db2.gz QOQTXJSLXJDHNU-UHFFFAOYSA-N 0 0 239.637 2.262 10 0 BEAERN CCc1nnc(Cl)n1CC(F)(F)F ZINC000071052935 361936889 /nfs/dbraw/zinc/93/68/89/361936889.db2.gz SNKSULHEUVLUII-UHFFFAOYSA-N 0 0 213.590 2.056 10 0 BEAERN Cc1cc(-n2cnnc2Cl)ccc1F ZINC000071055176 361938775 /nfs/dbraw/zinc/93/87/75/361938775.db2.gz XDRHHNKZWXXIKL-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN CC(C)c1nnc(Cl)n1C[C@H]1CCOC1 ZINC000071055315 361939292 /nfs/dbraw/zinc/93/92/92/361939292.db2.gz HYGFKBRDWXTPOT-MRVPVSSYSA-N 0 0 229.711 2.091 10 0 BEAERN Fc1ccc(Cn2cnnc2Cl)cc1F ZINC000071056555 361939529 /nfs/dbraw/zinc/93/95/29/361939529.db2.gz GMWSOQYEPNSION-UHFFFAOYSA-N 0 0 229.617 2.258 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)C1CCCC1 ZINC000191679179 538993523 /nfs/dbraw/zinc/99/35/23/538993523.db2.gz UWZFKQQWCLRSQN-PWSUYJOCSA-N 0 0 225.332 2.203 10 0 BEAERN Clc1nnc([C@H]2CCCOC2)s1 ZINC000071051039 361941846 /nfs/dbraw/zinc/94/18/46/361941846.db2.gz LYKKSBGDZGOOGO-YFKPBYRVSA-N 0 0 204.682 2.086 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)cs1 ZINC000381615229 539004881 /nfs/dbraw/zinc/00/48/81/539004881.db2.gz XJUJXKNTZJEJDX-WDEREUQCSA-N 0 0 239.340 2.090 10 0 BEAERN Nc1ccc(Sc2cnccn2)cc1 ZINC000042143718 361960886 /nfs/dbraw/zinc/96/08/86/361960886.db2.gz BONGIUGHGYQPNW-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN CCCC[C@@H](c1ccc(F)cc1)S(N)(=O)=O ZINC000050350570 539011052 /nfs/dbraw/zinc/01/10/52/539011052.db2.gz WUCOUQSUSYQMSK-NSHDSACASA-N 0 0 245.319 2.346 10 0 BEAERN CCOC(=O)CC1(O)CCC(CC)CC1 ZINC000052248577 539011896 /nfs/dbraw/zinc/01/18/96/539011896.db2.gz HDXMBQWZRMYBGA-UHFFFAOYSA-N 0 0 214.305 2.271 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@@H]1C[C@@H]12 ZINC000390387551 539021804 /nfs/dbraw/zinc/02/18/04/539021804.db2.gz FJYLITOTCJZCPR-URBCHYCLSA-N 0 0 224.300 2.143 10 0 BEAERN CCCCCC(O)=C1COC(C)(C)C1=O ZINC000392787397 539028169 /nfs/dbraw/zinc/02/81/69/539028169.db2.gz BCCXSEVTUWLBPI-SECBINFHSA-N 0 0 212.289 2.130 10 0 BEAERN Cc1cc(Br)c(N)cc1C#N ZINC000144023836 361989056 /nfs/dbraw/zinc/98/90/56/361989056.db2.gz XIQWLTNQDUNRLG-UHFFFAOYSA-N 0 0 211.062 2.211 10 0 BEAERN CCN(C)c1ncccc1Br ZINC000042376244 361989356 /nfs/dbraw/zinc/98/93/56/361989356.db2.gz IEEJNPLQFKEUNJ-UHFFFAOYSA-N 0 0 215.094 2.300 10 0 BEAERN CC(=O)OCC(=O)c1cccc(Cl)c1C ZINC000382707518 361977686 /nfs/dbraw/zinc/97/76/86/361977686.db2.gz UYQPKLNGSOLPDW-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN Cc1nc(CNCc2cc[nH]c2)sc1C ZINC000086255569 259326051 /nfs/dbraw/zinc/32/60/51/259326051.db2.gz UBUZAJBRPCVOJY-UHFFFAOYSA-N 0 0 221.329 2.378 10 0 BEAERN CCN(CC)c1nc2c(c(Cl)n1)CCC2 ZINC000042400302 361996879 /nfs/dbraw/zinc/99/68/79/361996879.db2.gz WLVZMDUHVCDSQW-UHFFFAOYSA-N 0 0 225.723 2.465 10 0 BEAERN C[C@@H]1OCC[C@@]1(O)c1occc1Br ZINC000134437044 342854306 /nfs/dbraw/zinc/85/43/06/342854306.db2.gz HVAKEBGVXNIRPG-RCOVLWMOSA-N 0 0 247.088 2.039 10 0 BEAERN C[C@@H]1OCC[C@H]1N(C)c1ccc(C=O)s1 ZINC000134720598 342878565 /nfs/dbraw/zinc/87/85/65/342878565.db2.gz DYMNWCROYOUJBO-WCBMZHEXSA-N 0 0 225.313 2.174 10 0 BEAERN CC[S@](=N)(=O)c1ccc(F)cc1F ZINC000521399871 398304773 /nfs/dbraw/zinc/30/47/73/398304773.db2.gz WJFTWTWGLILKJM-ZDUSSCGKSA-N 0 0 205.229 2.390 10 0 BEAERN CC[S@](=N)(=O)c1cc(F)ccc1F ZINC000521399502 398304819 /nfs/dbraw/zinc/30/48/19/398304819.db2.gz UGRNPNRIPXMFIY-ZDUSSCGKSA-N 0 0 205.229 2.390 10 0 BEAERN Cc1nc(N[C@@H]2CCO[C@H]2C)sc1C ZINC000134568992 342868850 /nfs/dbraw/zinc/86/88/50/342868850.db2.gz RSIBGVRXFDAFEA-IONNQARKSA-N 0 0 212.318 2.349 10 0 BEAERN Cc1cnc(Cl)nc1N[C@@H]1CCO[C@@H]1C ZINC000134584525 342871214 /nfs/dbraw/zinc/87/12/14/342871214.db2.gz BMUNVKYCQZMCKC-HTQZYQBOSA-N 0 0 227.695 2.028 10 0 BEAERN Clc1csc(NCc2c[nH]cn2)n1 ZINC000165059915 342872169 /nfs/dbraw/zinc/87/21/69/342872169.db2.gz PFKGCLUDUBNVID-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165080584 342873953 /nfs/dbraw/zinc/87/39/53/342873953.db2.gz HOULILQKHFRPLJ-WDSKDSINSA-N 0 0 218.709 2.386 10 0 BEAERN Cc1ccc(C[C@@H]2CSC[C@H]2O)cc1 ZINC000134655400 342875350 /nfs/dbraw/zinc/87/53/50/342875350.db2.gz QBVMDQPZLNNSGR-VXGBXAGGSA-N 0 0 208.326 2.261 10 0 BEAERN CCNc1nc2sccc2c(OC)n1 ZINC000233648848 342875623 /nfs/dbraw/zinc/87/56/23/342875623.db2.gz XHGSLRXJGCSPAG-UHFFFAOYSA-N 0 0 209.274 2.132 10 0 BEAERN Cc1ccccc1C[C@H]1CSC[C@@H]1O ZINC000134663912 342875958 /nfs/dbraw/zinc/87/59/58/342875958.db2.gz KWEWWXDNSSDPKU-RYUDHWBXSA-N 0 0 208.326 2.261 10 0 BEAERN O[C@H]1CSC[C@@H]1Cc1cccc(F)c1 ZINC000134672452 342876534 /nfs/dbraw/zinc/87/65/34/342876534.db2.gz NBBXNNDNWPLRSD-ONGXEEELSA-N 0 0 212.289 2.092 10 0 BEAERN C[C@H](O)CCc1cncc(Br)c1 ZINC000165148226 342877715 /nfs/dbraw/zinc/87/77/15/342877715.db2.gz NDYUCKZOWJXIFF-ZETCQYMHSA-N 0 0 230.105 2.158 10 0 BEAERN Clc1c2c(nc3ccnn31)CSC2 ZINC000134710146 342878360 /nfs/dbraw/zinc/87/83/60/342878360.db2.gz XUCWQQBNGFAGTE-UHFFFAOYSA-N 0 0 211.677 2.130 10 0 BEAERN OCc1c[nH]c2cccc(Br)c12 ZINC000059731623 342858648 /nfs/dbraw/zinc/85/86/48/342858648.db2.gz ALSCHTQXMJNCJS-UHFFFAOYSA-N 0 0 226.073 2.423 10 0 BEAERN C[C@@H]1C[C@@H](C)SC(NCC(F)(F)F)=N1 ZINC000164952684 342859538 /nfs/dbraw/zinc/85/95/38/342859538.db2.gz XKBMVZJDCZPSNQ-PHDIDXHHSA-N 0 0 226.267 2.408 10 0 BEAERN CCC[C@H]1CCN(c2cc(N)ns2)C1 ZINC000233394589 342859594 /nfs/dbraw/zinc/85/95/94/342859594.db2.gz YNZNCTKQKVTOSW-QMMMGPOBSA-N 0 0 211.334 2.352 10 0 BEAERN O=C(c1cnns1)c1sccc1Cl ZINC000229959482 342860079 /nfs/dbraw/zinc/86/00/79/342860079.db2.gz UQRYDFFZOOQCQX-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN C[C@H]1OCC[C@H]1N(C)c1cccc(Cl)n1 ZINC000134739142 342880864 /nfs/dbraw/zinc/88/08/64/342880864.db2.gz AWIFLMHBFAALSL-RKDXNWHRSA-N 0 0 226.707 2.349 10 0 BEAERN C[C@@H]1CCC[C@@]2(CC1)[NH2+][C@@H](C(=O)[O-])CS2 ZINC000226595376 342899418 /nfs/dbraw/zinc/89/94/18/342899418.db2.gz SPGGPXRSXYTUJX-FXPVBKGRSA-N 0 0 229.345 2.073 10 0 BEAERN O=c1c2ccccc2ncn1-c1ccccc1O ZINC000014684766 342884355 /nfs/dbraw/zinc/88/43/55/342884355.db2.gz KYRMDYHFFNNERA-UHFFFAOYSA-N 0 0 238.246 2.091 10 0 biogenic,in-vitro BEAERN Cn1c2ccccc2nc1-c1csc(N)n1 ZINC000009238698 342886604 /nfs/dbraw/zinc/88/66/04/342886604.db2.gz PLKVCPSRUFTFTL-UHFFFAOYSA-N 0 0 230.296 2.279 10 0 BEAERN C[C@@H]1OCC[C@@H]1N(C)c1nc(Cl)cs1 ZINC000165228495 342886851 /nfs/dbraw/zinc/88/68/51/342886851.db2.gz FZFUZQDBBYCBEY-BQBZGAKWSA-N 0 0 232.736 2.410 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(NN)cc1 ZINC000219673698 342888887 /nfs/dbraw/zinc/88/88/87/342888887.db2.gz SEINEVFMIZKLDH-UHFFFAOYSA-N 0 0 223.276 2.319 10 0 BEAERN O=C([O-])[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000016082824 342905888 /nfs/dbraw/zinc/90/58/88/342905888.db2.gz SWPHLTJACFTRIP-QWRGUYRKSA-N 0 0 223.272 2.013 10 0 BEAERN CC[C@@H]1CN(c2ccc(C=O)o2)CCS1 ZINC000133100378 398322031 /nfs/dbraw/zinc/32/20/31/398322031.db2.gz SRWVDHQWMZFLEK-SNVBAGLBSA-N 0 0 225.313 2.424 10 0 BEAERN COCCCNc1c(N)cccc1Cl ZINC000036926649 342913808 /nfs/dbraw/zinc/91/38/08/342913808.db2.gz BFQNGMJITFQRIN-UHFFFAOYSA-N 0 0 214.696 2.371 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1cc(Br)ncn1 ZINC000233912358 342900824 /nfs/dbraw/zinc/90/08/24/342900824.db2.gz KJYSXHVIFQPPGF-RNFRBKRXSA-N 0 0 242.120 2.450 10 0 BEAERN CCOP(=O)(OCC)c1cc(C)ccn1 ZINC000138547443 342902430 /nfs/dbraw/zinc/90/24/30/342902430.db2.gz WRPIWVRJZGNGBF-UHFFFAOYSA-N 0 0 229.216 2.281 10 0 BEAERN Cc1ccc(C)c(-c2cc3c(=O)[nH]ncn3n2)c1 ZINC000043875516 178460342 /nfs/dbraw/zinc/46/03/42/178460342.db2.gz PBSMUNYOUIYFGO-UHFFFAOYSA-N 0 0 240.266 2.114 10 0 BEAERN O=C(Nc1ccccc1)C(=O)Oc1ccccc1 ZINC000047902259 342925392 /nfs/dbraw/zinc/92/53/92/342925392.db2.gz NOABBOYGZOHIIG-UHFFFAOYSA-N 0 0 241.246 2.231 10 0 BEAERN CC[C@H]1CN(C(=O)CCCSC)C[C@H](C)O1 ZINC000134906024 342926772 /nfs/dbraw/zinc/92/67/72/342926772.db2.gz FAGQFINAFXMAGK-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN CSCCCC(=O)Nc1ccncc1C ZINC000134874857 342913986 /nfs/dbraw/zinc/91/39/86/342913986.db2.gz GSSYYYXCJHGTGB-UHFFFAOYSA-N 0 0 224.329 2.472 10 0 BEAERN CC[C@@](C)(O)[C@@H](O)c1ccc(C)s1 ZINC000233961974 342914574 /nfs/dbraw/zinc/91/45/74/342914574.db2.gz KQZIFBDOOUYEMT-VHSXEESVSA-N 0 0 200.303 2.251 10 0 BEAERN CC[C@@H]1OCC[C@H]1c1nnc(Br)o1 ZINC000233969312 342914718 /nfs/dbraw/zinc/91/47/18/342914718.db2.gz HRPCLLGLENCLHL-RITPCOANSA-N 0 0 247.092 2.115 10 0 BEAERN COC(=O)c1nc(C2(C)CC2)sc1C ZINC000167685112 346872843 /nfs/dbraw/zinc/87/28/43/346872843.db2.gz XUPYLUUMTIXOSO-UHFFFAOYSA-N 0 0 211.286 2.290 10 0 BEAERN CC[C@@H]1CN(c2cc(N)ns2)CCS1 ZINC000233965455 342915103 /nfs/dbraw/zinc/91/51/03/342915103.db2.gz BPUZXPKSJNKGLN-SSDOTTSWSA-N 0 0 229.374 2.057 10 0 BEAERN Brc1ncoc1-c1cccnc1 ZINC000575442187 398328539 /nfs/dbraw/zinc/32/85/39/398328539.db2.gz RYXUMYUISMKQMU-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN COC(=O)c1noc(C2CC2)c1Br ZINC000260104092 349647586 /nfs/dbraw/zinc/64/75/86/349647586.db2.gz CDBZJZDLEWTKSJ-UHFFFAOYSA-N 0 0 246.060 2.101 10 0 BEAERN CC(C)(C)OC(=O)N1Cc2[nH]nc(Cl)c2C1 ZINC000575442253 398328519 /nfs/dbraw/zinc/32/85/19/398328519.db2.gz RMXAJJXUYSBAFY-UHFFFAOYSA-N 0 0 243.694 2.314 10 0 BEAERN CCOC(=O)/C=C/c1cccc(C=O)c1 ZINC000116575202 342929501 /nfs/dbraw/zinc/92/95/01/342929501.db2.gz XZGCHCGWXNDTTO-VOTSOKGWSA-N 0 0 204.225 2.075 10 0 BEAERN Cc1nn(-c2cc(C)ccc2C)cc1N ZINC000135728537 398336671 /nfs/dbraw/zinc/33/66/71/398336671.db2.gz OTIGKZWYPDVEHZ-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1cc(C)nc(NCC[C@@H]2CCCO2)n1 ZINC000037982110 398335501 /nfs/dbraw/zinc/33/55/01/398335501.db2.gz HRTORIGQECKLJF-NSHDSACASA-N 0 0 221.304 2.074 10 0 BEAERN CC1(C)CCC(NC(=O)c2cnccn2)CC1 ZINC000128221672 398339794 /nfs/dbraw/zinc/33/97/94/398339794.db2.gz PYTPODRDLYETJY-UHFFFAOYSA-N 0 0 233.315 2.175 10 0 BEAERN CCOC(=O)C[C@@H](COC)c1cccc(O)c1 ZINC000260267401 349677080 /nfs/dbraw/zinc/67/70/80/349677080.db2.gz QYSKOWYJCSEORS-NSHDSACASA-N 0 0 238.283 2.075 10 0 BEAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCC1(C)CCC1 ZINC000133103798 398341261 /nfs/dbraw/zinc/34/12/61/398341261.db2.gz YRULICMFGDJPOM-SECBINFHSA-N 0 0 249.358 2.436 10 0 BEAERN C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)CO ZINC000133655064 398341658 /nfs/dbraw/zinc/34/16/58/398341658.db2.gz OEYPEUDOVKKBCN-CHWSQXEVSA-N 0 0 249.354 2.142 10 0 BEAERN COC(=O)Cc1cc(F)ccc1OC(F)F ZINC000309276717 342944380 /nfs/dbraw/zinc/94/43/80/342944380.db2.gz GUJJTLAYRREJFM-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN CCOC(=O)/C(C)=C/CCCCCO ZINC000136689836 398343279 /nfs/dbraw/zinc/34/32/79/398343279.db2.gz OTNOIAAOJAOWBJ-CSKARUKUSA-N 0 0 200.278 2.049 10 0 BEAERN CC(C)c1cc(N2CCOCC2)nc(Cl)n1 ZINC000309277356 342944554 /nfs/dbraw/zinc/94/45/54/342944554.db2.gz HGMLLBWLEVHOAU-UHFFFAOYSA-N 0 0 241.722 2.090 10 0 BEAERN CC(C)[C@H](C)CC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114407677 187208485 /nfs/dbraw/zinc/20/84/85/187208485.db2.gz NKKADVWIKUIIOZ-ZYHUDNBSSA-N 0 0 249.358 2.065 10 0 BEAERN CCC[C@H](NO)c1ccc2c(c1)OCO2 ZINC000308749619 346908935 /nfs/dbraw/zinc/90/89/35/346908935.db2.gz KBCNWEKQMYUCAJ-VIFPVBQESA-N 0 0 209.245 2.235 10 0 BEAERN CN(C)[C@@H](CO)c1c(F)cccc1Cl ZINC000041230757 342984548 /nfs/dbraw/zinc/98/45/48/342984548.db2.gz BQOFBSQQVVSQID-VIFPVBQESA-N 0 0 217.671 2.074 10 0 BEAERN N#C[C@]1(O)CCc2cc(Br)ccc21 ZINC000260469212 349717128 /nfs/dbraw/zinc/71/71/28/349717128.db2.gz MSTHUJRDMQVJGU-SNVBAGLBSA-N 0 0 238.084 2.106 10 0 BEAERN CCCN1C[C@@H](C(=O)OCC)Oc2ccccc21 ZINC000036439902 342999773 /nfs/dbraw/zinc/99/97/73/342999773.db2.gz ZDERQLKNZARSIP-ZDUSSCGKSA-N 0 0 249.310 2.227 10 0 BEAERN Cc1cc(C)c(C)c2c1C[C@@](C)(CO)O2 ZINC000036448720 343002570 /nfs/dbraw/zinc/00/25/70/343002570.db2.gz IIDYUCCUXOHCOQ-ZDUSSCGKSA-N 0 0 206.285 2.298 10 0 BEAERN CCOC(=O)c1cc2cc[nH]c2cc1F ZINC000260514022 349727415 /nfs/dbraw/zinc/72/74/15/349727415.db2.gz MATKOYRJNSXBMC-UHFFFAOYSA-N 0 0 207.204 2.484 10 0 BEAERN CCOC(OCC)[C@H](C)[C@@H](C)OCC ZINC000036467127 343014613 /nfs/dbraw/zinc/01/46/13/343014613.db2.gz BWDYLUMZXQQYHK-NXEZZACHSA-N 0 0 204.310 2.447 10 0 BEAERN CCC1CCC(N(C)C(N)=S)CC1 ZINC000042516396 362005163 /nfs/dbraw/zinc/00/51/63/362005163.db2.gz BGUVALIGYQMSGF-UHFFFAOYSA-N 0 0 200.351 2.131 10 0 BEAERN COC(=O)c1cccc(-c2cccnc2C=O)c1 ZINC000117983616 343026658 /nfs/dbraw/zinc/02/66/58/343026658.db2.gz STMCIMAXTNYWOV-UHFFFAOYSA-N 0 0 241.246 2.348 10 0 BEAERN CCOC(=O)C(C(=O)OCC)C(C)(C)C1CC1 ZINC000118171602 343042645 /nfs/dbraw/zinc/04/26/45/343042645.db2.gz FQHGBWVIARXPAN-UHFFFAOYSA-N 0 0 242.315 2.165 10 0 BEAERN COC(=O)c1cnc2c(c1)SC[C@@H]2C ZINC000021986965 343032086 /nfs/dbraw/zinc/03/20/86/343032086.db2.gz SCUPJSXQFRWJBT-LURJTMIESA-N 0 0 209.270 2.077 10 0 BEAERN Fc1cc(Br)c(F)c(F)n1 ZINC000021990775 343032566 /nfs/dbraw/zinc/03/25/66/343032566.db2.gz YNKPDGWBIQAKSY-UHFFFAOYSA-N 0 0 211.968 2.261 10 0 BEAERN CC(=O)N(C)c1ccccc1NC(=O)C1CC1 ZINC000118262794 187222376 /nfs/dbraw/zinc/22/23/76/187222376.db2.gz QDWQMMXEGNJZBY-UHFFFAOYSA-N 0 0 232.283 2.018 10 0 BEAERN Cc1ccc(C)c(NC(=O)[C@H](C)C(N)=S)c1 ZINC000044831088 178482287 /nfs/dbraw/zinc/48/22/87/178482287.db2.gz YKRMSZPFCRZBQK-SECBINFHSA-N 0 0 236.340 2.164 10 0 BEAERN CCN(C(=O)[C@H]1CCCO[C@H]1C)c1cccnc1 ZINC000191132644 259344974 /nfs/dbraw/zinc/34/49/74/259344974.db2.gz DPYGPZBAJPRVFR-AAEUAGOBSA-N 0 0 248.326 2.250 10 0 BEAERN CC[C@@H](C(C)=O)C(=O)NCCc1cccs1 ZINC000140471648 343073061 /nfs/dbraw/zinc/07/30/61/343073061.db2.gz VMBLUNFCNKLPFC-NSHDSACASA-N 0 0 239.340 2.022 10 0 BEAERN CCSc1nc(Cl)nc(C)c1N ZINC000233824441 343070144 /nfs/dbraw/zinc/07/01/44/343070144.db2.gz QFILCMCIBHJEDU-UHFFFAOYSA-N 0 0 203.698 2.133 10 0 BEAERN C/C=C/CNc1nc(Cl)nc(Cl)n1 ZINC000144252420 362015301 /nfs/dbraw/zinc/01/53/01/362015301.db2.gz WAKCXUJFACVWJN-NSCUHMNNSA-N 0 0 219.075 2.166 10 0 BEAERN CN(C)C(C)(C)c1ncc(Br)cn1 ZINC000584629230 343079876 /nfs/dbraw/zinc/07/98/76/343079876.db2.gz LUQYJFDOGUSQJX-UHFFFAOYSA-N 0 0 244.136 2.036 10 0 BEAERN Nc1ccc(-c2cccc(F)c2C=O)cn1 ZINC000584880568 343081193 /nfs/dbraw/zinc/08/11/93/343081193.db2.gz GWHALTFTCZROTB-UHFFFAOYSA-N 0 0 216.215 2.113 10 0 BEAERN Nc1cc(Br)nc(C(F)(F)F)c1 ZINC000306663207 362021778 /nfs/dbraw/zinc/02/17/78/362021778.db2.gz VGAHJVPTNNZIKF-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN Nc1ccc(-c2ccc(C=O)c(F)c2)cn1 ZINC000584880991 343082031 /nfs/dbraw/zinc/08/20/31/343082031.db2.gz UDDMXWPPHUBJPJ-UHFFFAOYSA-N 0 0 216.215 2.113 10 0 BEAERN CCOC(=O)[C@H]1Cc2ccc(CC)cc2N1 ZINC000584881714 343082900 /nfs/dbraw/zinc/08/29/00/343082900.db2.gz NOGZNAGXKXAYFJ-GFCCVEGCSA-N 0 0 219.284 2.149 10 0 BEAERN CC(F)(F)c1n[nH]c(=S)n1C1CC1 ZINC000306668328 362025298 /nfs/dbraw/zinc/02/52/98/362025298.db2.gz FQBUUPSETFLOHK-UHFFFAOYSA-N 0 0 205.233 2.013 10 0 BEAERN CCNc1c(N)cnc2c(OC)cc(F)cc21 ZINC000584882498 343084604 /nfs/dbraw/zinc/08/46/04/343084604.db2.gz IHCWUBBNIYRYKZ-UHFFFAOYSA-N 0 0 235.262 2.397 10 0 BEAERN CCNc1c(N)cnc2c(F)cc(C)c(F)c21 ZINC000584882725 343085568 /nfs/dbraw/zinc/08/55/68/343085568.db2.gz NRGAAEBGKJABHU-UHFFFAOYSA-N 0 0 237.253 2.257 10 0 BEAERN CCOC(=O)[C@@]1(CC)NCCc2ccsc21 ZINC000584883883 343087111 /nfs/dbraw/zinc/08/71/11/343087111.db2.gz UVHIZIAROZPJNQ-LBPRGKRZSA-N 0 0 239.340 2.062 10 0 BEAERN CCn1cc([C@H](O)c2ccsc2)cn1 ZINC000043468424 343078708 /nfs/dbraw/zinc/07/87/08/343078708.db2.gz KUSZWPWRKDRMPR-SNVBAGLBSA-N 0 0 208.286 2.046 10 0 BEAERN CCOC(CCO[C@@H]1CCCCO1)OCC ZINC000043503328 343098036 /nfs/dbraw/zinc/09/80/36/343098036.db2.gz ZLCNBNMNBUMLIP-LLVKDONJSA-N 0 0 232.320 2.319 10 0 BEAERN CCOC(=O)CCCCO[C@@H]1CCCCO1 ZINC000043503669 343100481 /nfs/dbraw/zinc/10/04/81/343100481.db2.gz SMCMIBRXVPZUNM-LBPRGKRZSA-N 0 0 230.304 2.263 10 0 BEAERN O=S(=O)(c1ccccc1)[C@H]1C=CC=CC1 ZINC000142602258 343110755 /nfs/dbraw/zinc/11/07/55/343110755.db2.gz BYQGPULYRWSQPD-LBPRGKRZSA-N 0 0 220.293 2.345 10 0 BEAERN CC[C@@H](C)[C@H]1COc2ccsc2C(=N)N1 ZINC000142212613 343106868 /nfs/dbraw/zinc/10/68/68/343106868.db2.gz MSZSDSLORSLDHX-HTQZYQBOSA-N 0 0 224.329 2.261 10 0 BEAERN [NH3+][C@@H](CCCCCc1ccccc1)C(=O)[O-] ZINC000038763429 343109519 /nfs/dbraw/zinc/10/95/19/343109519.db2.gz XXWNWKHODOSRHI-LBPRGKRZSA-N 0 0 221.300 2.201 10 0 BEAERN CC(C)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000126382785 187232493 /nfs/dbraw/zinc/23/24/93/187232493.db2.gz OLLNEEBZVQSDRV-ZDUSSCGKSA-N 0 0 221.300 2.174 10 0 BEAERN CC[C@@H](O)C(=O)c1sccc1Br ZINC000233895395 343115498 /nfs/dbraw/zinc/11/54/98/343115498.db2.gz BPWJGDYEYCJIQD-ZCFIWIBFSA-N 0 0 249.129 2.464 10 0 BEAERN CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C(=O)[O-] ZINC000062750819 346928246 /nfs/dbraw/zinc/92/82/46/346928246.db2.gz FKFVYJSMYBWUDP-GMTAPVOTSA-N 0 0 213.321 2.216 10 0 BEAERN O[C@H]1CCCn2cc(-c3ccccc3)nc21 ZINC000259471958 343130056 /nfs/dbraw/zinc/13/00/56/343130056.db2.gz MRKIKANEYFPRBF-LBPRGKRZSA-N 0 0 214.268 2.377 10 0 BEAERN C[C@@H](Nc1cncc(Cl)n1)[C@H]1CCCO1 ZINC000043537747 343133208 /nfs/dbraw/zinc/13/32/08/343133208.db2.gz YUBXEUWQUDBPCZ-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@H](Nc1nccnc1Cl)[C@H]1CCCO1 ZINC000043537750 343133257 /nfs/dbraw/zinc/13/32/57/343133257.db2.gz MSKSHJQIXDVJRG-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1ccsc1[C@H]1NC(=O)[C@H]2CCCCN21 ZINC000124839493 136271446 /nfs/dbraw/zinc/27/14/46/136271446.db2.gz HVBJPPXGSOFAKJ-KOLCDFICSA-N 0 0 236.340 2.039 10 0 BEAERN CC[C@@H](C(N)=S)n1nc(C)c(C)c1C ZINC000043541073 343135886 /nfs/dbraw/zinc/13/58/86/343135886.db2.gz BIOCURPPASUKKO-VIFPVBQESA-N 0 0 211.334 2.046 10 0 BEAERN O=C([O-])c1ccc(OCCCn2ccnc2)cc1 ZINC000029219882 343137221 /nfs/dbraw/zinc/13/72/21/343137221.db2.gz YXCWWPDCHRNOQR-UHFFFAOYSA-N 0 0 246.266 2.050 10 0 BEAERN O[C@@H](c1ccncc1)c1cccc(F)c1 ZINC000034408695 343142551 /nfs/dbraw/zinc/14/25/51/343142551.db2.gz OPPCUNOKQXAKSO-LBPRGKRZSA-N 0 0 203.216 2.302 10 0 BEAERN Nc1cccc(NCC=C(Cl)Cl)[nH+]1 ZINC000407422471 343144956 /nfs/dbraw/zinc/14/49/56/343144956.db2.gz ZZRYGDZSLMKVCX-UHFFFAOYSA-N 0 0 218.087 2.225 10 0 BEAERN CCOC(=O)c1cc(C)c(Cl)cc1N ZINC000131572188 343183743 /nfs/dbraw/zinc/18/37/43/343183743.db2.gz OEWGAWRELMHJCO-UHFFFAOYSA-N 0 0 213.664 2.407 10 0 BEAERN Cc1cccc(NC(=O)[C@@](C)(N)C(F)(F)F)c1 ZINC000094231432 343155723 /nfs/dbraw/zinc/15/57/23/343155723.db2.gz BPNTVEPDXWPCGG-SNVBAGLBSA-N 0 0 246.232 2.213 10 0 BEAERN C[C@@H](Nc1ncnc2c1cnn2C)C(C)(C)C ZINC000122447812 343159581 /nfs/dbraw/zinc/15/95/81/343159581.db2.gz LPNGTBZPFJAZLH-MRVPVSSYSA-N 0 0 233.319 2.210 10 0 BEAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1cscn1 ZINC000124733302 343164756 /nfs/dbraw/zinc/16/47/56/343164756.db2.gz DUUYFLAMZSNCBA-SFYZADRCSA-N 0 0 222.317 2.278 10 0 BEAERN CCSCC[C@@H](C)Nc1cccnn1 ZINC000127340386 343170196 /nfs/dbraw/zinc/17/01/96/343170196.db2.gz TWJXRMXJILKTIN-SECBINFHSA-N 0 0 211.334 2.420 10 0 BEAERN CCOC(=O)c1csc(-c2cc(C)on2)n1 ZINC000000123732 187244164 /nfs/dbraw/zinc/24/41/64/187244164.db2.gz KEJQOOHKWIDPHE-UHFFFAOYSA-N 0 0 238.268 2.283 10 0 BEAERN CCS[C@@H]1CCC[C@@H]1[NH+]1CCC(=O)CC1 ZINC000233968791 343215283 /nfs/dbraw/zinc/21/52/83/343215283.db2.gz UEDMDHHFDWIXRS-NWDGAFQWSA-N 0 0 227.373 2.326 10 0 BEAERN Nc1ccc(-c2cc3ccccc3o2)nn1 ZINC000050867810 343220150 /nfs/dbraw/zinc/22/01/50/343220150.db2.gz LDEHGEJTDRTALK-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN Nc1ccc2cnn(C(=O)c3ccccc3)c2c1 ZINC000031596343 343221848 /nfs/dbraw/zinc/22/18/48/343221848.db2.gz XKBWIRSTXCSRGU-UHFFFAOYSA-N 0 0 237.262 2.307 10 0 BEAERN CC(C)(C)c1ccc(-c2nnc(CN)o2)cc1 ZINC000011585635 187250037 /nfs/dbraw/zinc/25/00/37/187250037.db2.gz HNSMIJXNMUUIQQ-UHFFFAOYSA-N 0 0 231.299 2.493 10 0 BEAERN COC(=O)c1c(Cl)ncc2c1CCCC2 ZINC000238377648 343255483 /nfs/dbraw/zinc/25/54/83/343255483.db2.gz PDDQNXZMZPWIMC-UHFFFAOYSA-N 0 0 225.675 2.400 10 0 BEAERN CCN(CC)S(=O)(=O)/C=C\c1ccccc1 ZINC000031717140 343223545 /nfs/dbraw/zinc/22/35/45/343223545.db2.gz KGFXXXSTLUWXPA-KHPPLWFESA-N 0 0 239.340 2.329 10 0 BEAERN COC(=O)c1c2c(nn1C(C)C)CCSC2 ZINC000261097090 343286592 /nfs/dbraw/zinc/28/65/92/343286592.db2.gz YYVKKMCMCOEPLV-UHFFFAOYSA-N 0 0 240.328 2.040 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)CC(C)C ZINC000051361382 343256318 /nfs/dbraw/zinc/25/63/18/343256318.db2.gz MJETWEMPCQQTLX-UHFFFAOYSA-N 0 0 225.288 2.374 10 0 BEAERN CCOC(=O)c1ccc(C2CC2)c(OC)n1 ZINC000118832595 343258606 /nfs/dbraw/zinc/25/86/06/343258606.db2.gz VOXYBFKDXLEHIL-UHFFFAOYSA-N 0 0 221.256 2.144 10 0 BEAERN C#C/C(=C\C(=O)OCC)c1ccccc1 ZINC000034087651 343264295 /nfs/dbraw/zinc/26/42/95/343264295.db2.gz IAPNPZUHVABYLL-ZHACJKMWSA-N 0 0 200.237 2.266 10 0 BEAERN CC(C)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000034145790 343265501 /nfs/dbraw/zinc/26/55/01/343265501.db2.gz HCHQOEZVKUQSDQ-SNVBAGLBSA-N 0 0 208.257 2.495 10 0 BEAERN CCSc1nc2c(c(=O)[nH]1)SCCC2 ZINC000034181939 343265985 /nfs/dbraw/zinc/26/59/85/343265985.db2.gz IKZZIXLWWGDBDW-UHFFFAOYSA-N 0 0 228.342 2.333 10 0 BEAERN COc1ccc([C@H](O)c2ccccc2OC)cn1 ZINC000034343813 343268461 /nfs/dbraw/zinc/26/84/61/343268461.db2.gz LVMVWNPYMLAUPI-AWEZNQCLSA-N 0 0 245.278 2.181 10 0 BEAERN c1coc(-c2nc3[nH]c4ccccc4n3n2)c1 ZINC000015779195 343268521 /nfs/dbraw/zinc/26/85/21/343268521.db2.gz NDMMJWCWXURKRG-UHFFFAOYSA-N 0 0 224.223 2.471 10 0 BEAERN C/C=C/C(=O)P(=O)(OCC)OCC ZINC000034408802 343270324 /nfs/dbraw/zinc/27/03/24/343270324.db2.gz NWOIPUJZEHPGMT-QPJJXVBHSA-N 0 0 206.178 2.355 10 0 BEAERN CC[C@H](O)c1cc(OC)c(OC)cc1OC ZINC000034444772 343271285 /nfs/dbraw/zinc/27/12/85/343271285.db2.gz NHBUFOXGCPTIOH-VIFPVBQESA-N 0 0 226.272 2.156 10 0 BEAERN COc1cc(N)cc(OC[C@H]2CCCCO2)c1 ZINC000034639037 343276268 /nfs/dbraw/zinc/27/62/68/343276268.db2.gz JZHVULPXKNXMKA-LLVKDONJSA-N 0 0 237.299 2.225 10 0 BEAERN CC(=O)OC(OC(C)=O)C1CCCCC1 ZINC000139107257 343276896 /nfs/dbraw/zinc/27/68/96/343276896.db2.gz QJNWCLHMVRRJPM-UHFFFAOYSA-N 0 0 214.261 2.019 10 0 BEAERN COC(=O)c1nc(-c2ccccc2)ccc1O ZINC000034744768 343277872 /nfs/dbraw/zinc/27/78/72/343277872.db2.gz FIPAMCNGHYFYBT-UHFFFAOYSA-N 0 0 229.235 2.241 10 0 BEAERN COC(=O)[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000034743180 343277927 /nfs/dbraw/zinc/27/79/27/343277927.db2.gz AUTFVNPUUPHELI-NSHDSACASA-N 0 0 221.300 2.157 10 0 BEAERN CC(=O)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000019410160 187252008 /nfs/dbraw/zinc/25/20/08/187252008.db2.gz ISYBMNARWSXONV-UHFFFAOYSA-N 0 0 243.306 2.281 10 0 BEAERN CC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2 ZINC000034961999 343281922 /nfs/dbraw/zinc/28/19/22/343281922.db2.gz SMPCUSNEQRSHLQ-SECBINFHSA-N 0 0 218.300 2.183 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(N)cc2s1 ZINC000019257066 187252023 /nfs/dbraw/zinc/25/20/23/187252023.db2.gz LZHIWWGLZYCJTB-XPUUQOCRSA-N 0 0 247.323 2.473 10 0 BEAERN OCC(F)(F)c1ccc2ccccc2n1 ZINC000147061750 343320166 /nfs/dbraw/zinc/32/01/66/343320166.db2.gz WHCKWEUKMYFPHW-UHFFFAOYSA-N 0 0 209.195 2.319 10 0 BEAERN O=c1[nH]cc(F)c2ccc(Br)cc12 ZINC000140477542 343321027 /nfs/dbraw/zinc/32/10/27/343321027.db2.gz OCGGCFXJZYMUHC-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN CC[C@H]1OCC[C@@H]1c1nnc(Cl)s1 ZINC000234107893 343323021 /nfs/dbraw/zinc/32/30/21/343323021.db2.gz PQAXPYITMIAOCB-NTSWFWBYSA-N 0 0 218.709 2.474 10 0 BEAERN CC[C@H]1NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000036756531 343323746 /nfs/dbraw/zinc/32/37/46/343323746.db2.gz DAQGACPHRBJCFT-SECBINFHSA-N 0 0 238.674 2.175 10 0 BEAERN CC(=O)CC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000037839465 187254154 /nfs/dbraw/zinc/25/41/54/187254154.db2.gz ZBMJONINNOIXDN-BXUZGUMPSA-N 0 0 237.343 2.393 10 0 BEAERN Nc1cccc(-c2noc(C(F)F)n2)c1 ZINC000035697039 343302413 /nfs/dbraw/zinc/30/24/13/343302413.db2.gz LQEGRVSPFYNYAU-UHFFFAOYSA-N 0 0 211.171 2.256 10 0 BEAERN Cc1cc(Br)nc2c1CCC2=O ZINC000035855369 343304839 /nfs/dbraw/zinc/30/48/39/343304839.db2.gz PNJFLBPLVYBGOV-UHFFFAOYSA-N 0 0 226.073 2.281 10 0 BEAERN CCN(C(=O)c1cccc(OC)c1O)C(C)C ZINC000037082602 343333056 /nfs/dbraw/zinc/33/30/56/343333056.db2.gz NNNUOBFMJOKAAK-UHFFFAOYSA-N 0 0 237.299 2.271 10 0 BEAERN C[C@H](O)c1cnc(-c2ccccc2)nc1N(C)C ZINC000147264883 343372262 /nfs/dbraw/zinc/37/22/62/343372262.db2.gz TUUWKLABOSFGFZ-JTQLQIEISA-N 0 0 243.310 2.263 10 0 BEAERN Clc1nsnc1OC[C@@H]1CCCCO1 ZINC000037371837 343343752 /nfs/dbraw/zinc/34/37/52/343343752.db2.gz AOXZPXIDNAMXNL-LURJTMIESA-N 0 0 234.708 2.139 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1C(=O)NCCCO ZINC000038613746 343377917 /nfs/dbraw/zinc/37/79/17/343377917.db2.gz VBXWUOYNNYFRAX-JHJVBQTASA-N 0 0 241.375 2.193 10 0 BEAERN CCOc1ccc(C=O)c(O)c1OCC ZINC000207421144 343377978 /nfs/dbraw/zinc/37/79/78/343377978.db2.gz SIGPXSNJIVFVHC-UHFFFAOYSA-N 0 0 210.229 2.002 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1Cc2ccccc2N1 ZINC000037729918 343353127 /nfs/dbraw/zinc/35/31/27/343353127.db2.gz BWLRZKYMVHFPLH-LLVKDONJSA-N 0 0 219.284 2.365 10 0 BEAERN CC[C@H]1OCC[C@@H]1c1nnc(Cl)o1 ZINC000234107872 343354463 /nfs/dbraw/zinc/35/44/63/343354463.db2.gz DIXDPHTYKINTDC-NTSWFWBYSA-N 0 0 202.641 2.006 10 0 BEAERN CC(=O)Nc1ccc(C(=O)c2ccoc2)cc1 ZINC000035368668 187258512 /nfs/dbraw/zinc/25/85/12/187258512.db2.gz WKCIGXMYQUWYCY-UHFFFAOYSA-N 0 0 229.235 2.469 10 0 BEAERN Nc1cccc2[nH]c(-c3ccncc3)nc21 ZINC000036281964 187258726 /nfs/dbraw/zinc/25/87/26/187258726.db2.gz PBORABPBYIKTAX-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN CC(=O)CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000037839327 187261060 /nfs/dbraw/zinc/26/10/60/187261060.db2.gz KORMYUFZKGFTRF-CYZMBNFOSA-N 0 0 237.343 2.393 10 0 BEAERN C[C@@H](NC(=O)NCC1CCCC1)[C@H]1CCCO1 ZINC000078936254 343381790 /nfs/dbraw/zinc/38/17/90/343381790.db2.gz IFCBCEOUVLASHF-ZYHUDNBSSA-N 0 0 240.347 2.043 10 0 BEAERN CCOc1ccnc(-c2nccc(C)n2)c1 ZINC000039100151 343383494 /nfs/dbraw/zinc/38/34/94/343383494.db2.gz IGFLKBBXETTYRO-UHFFFAOYSA-N 0 0 215.256 2.246 10 0 BEAERN CCC1(c2cccc(C=O)c2)OCCO1 ZINC000039101142 343384046 /nfs/dbraw/zinc/38/40/46/343384046.db2.gz VQLBPOFIFTWBHE-UHFFFAOYSA-N 0 0 206.241 2.109 10 0 BEAERN COC(=O)c1nc(C)c2ccccc2c1O ZINC000039109850 343384949 /nfs/dbraw/zinc/38/49/49/343384949.db2.gz FGHABUQJLQNESZ-UHFFFAOYSA-N 0 0 217.224 2.035 10 0 BEAERN CC1N=NC(=N)S[C@H]1Cc1ccccc1 ZINC000039110078 343384952 /nfs/dbraw/zinc/38/49/52/343384952.db2.gz OMWBIQYFTKYQDS-JTQLQIEISA-N 0 0 219.313 2.035 10 0 BEAERN C=CS(=O)(=O)c1ccnc2ccccc21 ZINC000041721292 343423172 /nfs/dbraw/zinc/42/31/72/343423172.db2.gz QBHKQOMWLOQHFA-UHFFFAOYSA-N 0 0 219.265 2.152 10 0 BEAERN CCOC(=O)c1cc(C=O)c2ccccc2n1 ZINC000148912898 343411787 /nfs/dbraw/zinc/41/17/87/343411787.db2.gz LPKDLTRNQTXYKP-UHFFFAOYSA-N 0 0 229.235 2.224 10 0 BEAERN O=C(c1n[nH]c2ccccc21)N1C[C@H]2CCC[C@H]21 ZINC000349350915 136342822 /nfs/dbraw/zinc/34/28/22/136342822.db2.gz PPASWMJMUHJBQZ-BXKDBHETSA-N 0 0 241.294 2.187 10 0 BEAERN CCN(C(=O)N1C[C@H]2CCC[C@@H]21)C(C)C ZINC000335729891 136348520 /nfs/dbraw/zinc/34/85/20/136348520.db2.gz CQYUGNSCHLYGNC-MNOVXSKESA-N 0 0 210.321 2.321 10 0 BEAERN CCCS(=O)(=O)N[C@H]1CCC12CCCC2 ZINC000335731076 136348639 /nfs/dbraw/zinc/34/86/39/136348639.db2.gz AAZHYYODANGEAZ-JTQLQIEISA-N 0 0 231.361 2.039 10 0 BEAERN O=C(Nc1ccc(F)cn1)N1C[C@@H]2CCC[C@H]21 ZINC000335708672 136337001 /nfs/dbraw/zinc/33/70/01/136337001.db2.gz QNDHKTRJMJSPFB-WCBMZHEXSA-N 0 0 235.262 2.237 10 0 BEAERN Cc1ccc(CCC(=O)NCC[C@@H](C)O)c(C)c1 ZINC000118721416 178526154 /nfs/dbraw/zinc/52/61/54/178526154.db2.gz RRHUCTFGKZZBST-CYBMUJFWSA-N 0 0 249.354 2.123 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOC(C)(C)C1 ZINC000335716691 136339705 /nfs/dbraw/zinc/33/97/05/136339705.db2.gz KPOLBHZHBJKSOW-QWRGUYRKSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@H]1CCCN(c2nnc(C3CC3)n2C)[C@H]1C ZINC000335845518 136355164 /nfs/dbraw/zinc/35/51/64/136355164.db2.gz YESIKIDNUFOCSP-UWVGGRQHSA-N 0 0 234.347 2.317 10 0 BEAERN Nc1noc(-c2cccc(F)c2Cl)n1 ZINC000165484480 343448983 /nfs/dbraw/zinc/44/89/83/343448983.db2.gz XWXDQMGEEYXJOG-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)CC(F)F ZINC000616458535 343456077 /nfs/dbraw/zinc/45/60/77/343456077.db2.gz IQLPZUZZAHXPBJ-DOLQZWNJSA-N 0 0 231.286 2.440 10 0 BEAERN C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)CC(F)F ZINC000616458537 343456170 /nfs/dbraw/zinc/45/61/70/343456170.db2.gz IQLPZUZZAHXPBJ-QEYWKRMJSA-N 0 0 231.286 2.440 10 0 BEAERN CC1(C)CC(=O)CN1C(=O)CC1CCCC1 ZINC000258972126 136374221 /nfs/dbraw/zinc/37/42/21/136374221.db2.gz CZKRGNFETFFRQX-UHFFFAOYSA-N 0 0 223.316 2.147 10 0 BEAERN CC[C@@H](Nc1cc(C)nc2ncnn21)C(C)C ZINC000042590916 343444810 /nfs/dbraw/zinc/44/48/10/343444810.db2.gz WDXAWFZJMPMBSF-SNVBAGLBSA-N 0 0 233.319 2.279 10 0 BEAERN CN(C)c1ccccc1C(=O)C(F)(F)F ZINC000043505009 343476391 /nfs/dbraw/zinc/47/63/91/343476391.db2.gz UFTIIWQIDKHVJL-UHFFFAOYSA-N 0 0 217.190 2.498 10 0 BEAERN COC(=O)C1CCC(C2CCOCC2)CC1 ZINC000261124512 349814973 /nfs/dbraw/zinc/81/49/73/349814973.db2.gz KGNGRMBECSEUNY-UHFFFAOYSA-N 0 0 226.316 2.392 10 0 BEAERN C/C=C/[C@H](C)ONC(=O)OC(C)(C)C ZINC000039091325 187263772 /nfs/dbraw/zinc/26/37/72/187263772.db2.gz UWVXWUDMTSORMW-CZEYKFRCSA-N 0 0 201.266 2.407 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1C(F)F ZINC000616621501 343523879 /nfs/dbraw/zinc/52/38/79/343523879.db2.gz FSZRPTWIHCVKBQ-SSDOTTSWSA-N 0 0 207.220 2.263 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cccnn1 ZINC000616622056 343525152 /nfs/dbraw/zinc/52/51/52/343525152.db2.gz JLZIZUGOCPTECD-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN COC(=O)c1nc2c(cccc2OC)s1 ZINC000045238088 343527255 /nfs/dbraw/zinc/52/72/55/343527255.db2.gz XIOQHNMXWREXDS-UHFFFAOYSA-N 0 0 223.253 2.092 10 0 BEAERN CNc1cccc([C@@H]2C[N@@H+](C(C)(C)C)CCN2)c1 ZINC000616632481 343527775 /nfs/dbraw/zinc/52/77/75/343527775.db2.gz JUOWZMDUTPRLRB-AWEZNQCLSA-N 0 0 247.386 2.473 10 0 BEAERN CC(C)[N@@H+]1CCCOC[C@@H]1c1ccccn1 ZINC000616645274 343530640 /nfs/dbraw/zinc/53/06/40/343530640.db2.gz IZRXJRJBVLXCQO-CYBMUJFWSA-N 0 0 220.316 2.253 10 0 BEAERN CSCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000045671187 343532423 /nfs/dbraw/zinc/53/24/23/343532423.db2.gz CFGQMMLWVJUHPE-NSHDSACASA-N 0 0 237.368 2.487 10 0 BEAERN CC(C)[N@@H+]1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616659025 343532533 /nfs/dbraw/zinc/53/25/33/343532533.db2.gz BGCFWFJYBCVJLJ-AWEZNQCLSA-N 0 0 249.354 2.003 10 0 BEAERN CC[C@@H]1CCOCCN1C(=O)OC(C)(C)C ZINC000616661112 343532724 /nfs/dbraw/zinc/53/27/24/343532724.db2.gz WVWFNVXJPPVHGI-SNVBAGLBSA-N 0 0 229.320 2.422 10 0 BEAERN CCc1ccc2c(C[NH+](C)C)c[nH]c2n1 ZINC000045806096 343534536 /nfs/dbraw/zinc/53/45/36/343534536.db2.gz GUHVWEHQCSJGGA-UHFFFAOYSA-N 0 0 203.289 2.187 10 0 BEAERN Cc1nccnc1N[C@@H]1CCc2cc(N)ccc21 ZINC000214520646 343536568 /nfs/dbraw/zinc/53/65/68/343536568.db2.gz VNYSHXPROZPBPF-CYBMUJFWSA-N 0 0 240.310 2.467 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1cccnn1 ZINC000616683986 343537745 /nfs/dbraw/zinc/53/77/45/343537745.db2.gz WTEGMCYKVHBPTG-CQSZACIVSA-N 0 0 240.310 2.470 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1C(F)(F)F ZINC000616686354 343538448 /nfs/dbraw/zinc/53/84/48/343538448.db2.gz ZMFVXWCHTAQZIQ-SNVBAGLBSA-N 0 0 244.216 2.396 10 0 BEAERN Clc1cc(NC[C@H]2CCCO2)c(Cl)nn1 ZINC000127145171 343545111 /nfs/dbraw/zinc/54/51/11/343545111.db2.gz KKTDDWDHWHSOPG-ZCFIWIBFSA-N 0 0 248.113 2.374 10 0 BEAERN CCN(C(=O)[C@H]1CC[C@H](C)O1)C1CCCC1 ZINC000132079557 343547490 /nfs/dbraw/zinc/54/74/90/343547490.db2.gz KJVALEGTLGQQGE-CMPLNLGQSA-N 0 0 225.332 2.345 10 0 BEAERN CC[C@](C)(OC)c1nc(Br)no1 ZINC000234151724 343499761 /nfs/dbraw/zinc/49/97/61/343499761.db2.gz CMDCFTZLBGHTNU-ZETCQYMHSA-N 0 0 235.081 2.104 10 0 BEAERN Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](O)C1 ZINC000203993104 343553821 /nfs/dbraw/zinc/55/38/21/343553821.db2.gz VDVPKUCZXPCBJE-BDAKNGLRSA-N 0 0 227.691 2.214 10 0 BEAERN CCOC(=O)/C=C/c1nc2ccccc2o1 ZINC000084817981 343554820 /nfs/dbraw/zinc/55/48/20/343554820.db2.gz XOWVRUDKDUDKFK-BQYQJAHWSA-N 0 0 217.224 2.404 10 0 BEAERN CSc1ccc([C@H](O)C(F)(F)F)cn1 ZINC000204204747 343561276 /nfs/dbraw/zinc/56/12/76/343561276.db2.gz AWVSNULQHLOHBE-ZETCQYMHSA-N 0 0 223.219 2.399 10 0 BEAERN CCOc1cc(C(=O)OC)cc2c1OCC=C2 ZINC000047844967 343566847 /nfs/dbraw/zinc/56/68/47/343566847.db2.gz UWQRSIWNPSXOQI-UHFFFAOYSA-N 0 0 234.251 2.278 10 0 BEAERN Cc1cc(C)nc(SCC(=O)c2ccc[nH]2)n1 ZINC000048101750 343571229 /nfs/dbraw/zinc/57/12/29/343571229.db2.gz JVUFNTXGILCKIR-UHFFFAOYSA-N 0 0 247.323 2.397 10 0 BEAERN CC(C)(CO)Oc1ccc(F)cc1F ZINC000041210961 187264727 /nfs/dbraw/zinc/26/47/27/187264727.db2.gz WAPCIENKYDNNTJ-UHFFFAOYSA-N 0 0 202.200 2.115 10 0 BEAERN CC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000405936539 537789139 /nfs/dbraw/zinc/78/91/39/537789139.db2.gz KRWDOHPQNAOVMC-SNVBAGLBSA-N 0 0 227.304 2.269 10 0 BEAERN Cc1ccc(CCNCC(=O)OC(C)(C)C)cc1 ZINC000205222421 343619927 /nfs/dbraw/zinc/61/99/27/343619927.db2.gz TWZVLWQNCFYEOT-UHFFFAOYSA-N 0 0 249.354 2.469 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1-c1ccoc1 ZINC000043375742 187267131 /nfs/dbraw/zinc/26/71/31/187267131.db2.gz RENLJWJNNSGOLS-UHFFFAOYSA-N 0 0 219.288 2.461 10 0 BEAERN Cc1nccn1-c1ccnc(Br)c1 ZINC000044118635 187267726 /nfs/dbraw/zinc/26/77/26/187267726.db2.gz SCEAGJNULUTCMB-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CC(C)C1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000379718647 343606690 /nfs/dbraw/zinc/60/66/90/343606690.db2.gz UYVNZMWKSHBKTE-JGPRNRPPSA-N 0 0 207.317 2.337 10 0 BEAERN c1csc([C@@H]2NCCc3ccsc32)n1 ZINC000712523134 537789618 /nfs/dbraw/zinc/78/96/18/537789618.db2.gz OHDDKRWTENGJLS-MRVPVSSYSA-N 0 0 222.338 2.440 10 0 BEAERN CCc1ccc(-c2nnc(N)s2)s1 ZINC000043640189 343634354 /nfs/dbraw/zinc/63/43/54/343634354.db2.gz HVDJQQITRZSHAY-UHFFFAOYSA-N 0 0 211.315 2.411 10 0 BEAERN CCN(CC)C(=O)C(=O)c1ccccc1Cl ZINC000205600789 343635554 /nfs/dbraw/zinc/63/55/54/343635554.db2.gz JHLGUVZZWDHZBI-UHFFFAOYSA-N 0 0 239.702 2.391 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccccc1F ZINC000309502597 343643792 /nfs/dbraw/zinc/64/37/92/343643792.db2.gz ILDRYBHFIDXUJH-UHFFFAOYSA-N 0 0 224.231 2.350 10 0 BEAERN CCc1c(N)ncnc1NCc1ccccc1 ZINC000128356832 346950208 /nfs/dbraw/zinc/95/02/08/346950208.db2.gz PTLDJJSBIBQMTE-UHFFFAOYSA-N 0 0 228.299 2.233 10 0 BEAERN COc1ccc2c(c1)cc(N(C)C)[nH]c2=O ZINC000169227010 343624125 /nfs/dbraw/zinc/62/41/25/343624125.db2.gz KKMPCJNTTGXDNA-UHFFFAOYSA-N 0 0 218.256 2.015 10 0 BEAERN Cc1ccc(C(N)=S)c(OC(C)C)c1 ZINC000051597837 343626612 /nfs/dbraw/zinc/62/66/12/343626612.db2.gz VNEAXELMCDGSSH-UHFFFAOYSA-N 0 0 209.314 2.416 10 0 BEAERN Nc1cccc(-c2ccnc(C3OCCO3)c2)c1 ZINC000205476826 343629682 /nfs/dbraw/zinc/62/96/82/343629682.db2.gz NDJCKZLXEIDGHS-UHFFFAOYSA-N 0 0 242.278 2.376 10 0 BEAERN C[C@@H]1C[C@H](C)n2nc(C3CCC3)nc2N1 ZINC000300033559 537801513 /nfs/dbraw/zinc/80/15/13/537801513.db2.gz XPADUICIXXLHSS-SFYZADRCSA-N 0 0 206.293 2.311 10 0 BEAERN COC(=O)Cc1cccc(F)c1OC(F)F ZINC000309515852 343661634 /nfs/dbraw/zinc/66/16/34/343661634.db2.gz YBGHQGLCZIMMNN-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN CC[C@@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000043651543 343696658 /nfs/dbraw/zinc/69/66/58/343696658.db2.gz URZUCBXSIZETTK-RNFRBKRXSA-N 0 0 204.216 2.216 10 0 BEAERN CC(=O)C1=C(O)C[C@@H](c2ccncc2)CC1 ZINC000214942624 349836863 /nfs/dbraw/zinc/83/68/63/349836863.db2.gz GJIOKJSEFAOPKL-NWDGAFQWSA-N 0 0 217.268 2.123 10 0 BEAERN NC(=S)Cc1cc(Br)cs1 ZINC000043687007 343700560 /nfs/dbraw/zinc/70/05/60/343700560.db2.gz RKAUZEHDVVELTI-UHFFFAOYSA-N 0 0 236.159 2.339 10 0 BEAERN CC(=O)C1=C(O)C[C@@H](c2ccncc2)CC1 ZINC000214942572 349837587 /nfs/dbraw/zinc/83/75/87/349837587.db2.gz GJIOKJSEFAOPKL-RYUDHWBXSA-N 0 0 217.268 2.123 10 0 BEAERN CC(C)C[C@H](N)C(=O)OCc1ccc(F)cc1 ZINC000049829688 187270587 /nfs/dbraw/zinc/27/05/87/187270587.db2.gz VDBFMXOQJZAFIB-LBPRGKRZSA-N 0 0 239.290 2.242 10 0 BEAERN CC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000049318423 187270617 /nfs/dbraw/zinc/27/06/17/187270617.db2.gz KRBFDAJEHWYCQQ-LLVKDONJSA-N 0 0 209.676 2.463 10 0 BEAERN Nc1cccnc1N1CCC[C@@H]1c1cccnc1 ZINC000036132044 343681903 /nfs/dbraw/zinc/68/19/03/343681903.db2.gz WBBZCFJDYHAAGZ-CYBMUJFWSA-N 0 0 240.310 2.400 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCC[C@H]2C ZINC000300028215 537802708 /nfs/dbraw/zinc/80/27/08/537802708.db2.gz MNILIKVOUXKIND-JEZHCXPESA-N 0 0 218.680 2.074 10 0 BEAERN Cc1cc(N)cnc1OCCOc1ccccc1 ZINC000052813651 187271707 /nfs/dbraw/zinc/27/17/07/187271707.db2.gz UBWGCZRLBKMJRI-UHFFFAOYSA-N 0 0 244.294 2.430 10 0 BEAERN Clc1nc(Cl)nc(OC2CCC2)n1 ZINC000061517949 343725728 /nfs/dbraw/zinc/72/57/28/343725728.db2.gz QRNTWQKASLKWCU-UHFFFAOYSA-N 0 0 220.059 2.110 10 0 BEAERN CSCC[C@@H](CCO)NC(=O)OC(C)(C)C ZINC000196793752 343729686 /nfs/dbraw/zinc/72/96/86/343729686.db2.gz FFGJGALIVJUZHD-SECBINFHSA-N 0 0 249.376 2.015 10 0 BEAERN OC[C@H](Nc1cc(Cl)ncn1)c1ccccc1 ZINC000063012022 343747559 /nfs/dbraw/zinc/74/75/59/343747559.db2.gz VZEDPCYEZYWAHI-JTQLQIEISA-N 0 0 249.701 2.276 10 0 BEAERN Cc1c(N)nsc1N(C)C1CCCC1 ZINC000234241798 343747892 /nfs/dbraw/zinc/74/78/92/343747892.db2.gz BWCZLBXEJYJUSH-UHFFFAOYSA-N 0 0 211.334 2.413 10 0 BEAERN O=c1c(Br)c[nH]c2cc(F)ccc12 ZINC000041702001 343750466 /nfs/dbraw/zinc/75/04/66/343750466.db2.gz VXZUBLUWFDKSQA-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN ClC(Cl)=CCNc1ccnc(Cl)n1 ZINC000407260441 343754464 /nfs/dbraw/zinc/75/44/64/343754464.db2.gz IWKCLDKTYBDTIL-UHFFFAOYSA-N 0 0 238.505 2.283 10 0 BEAERN CC(C)Cn1cc(C=O)c(-c2ccccn2)n1 ZINC000036905585 343779537 /nfs/dbraw/zinc/77/95/37/343779537.db2.gz JBDWVFGKCMSNQA-UHFFFAOYSA-N 0 0 229.283 2.414 10 0 BEAERN CN(c1nccnc1Cl)[C@H]1CCSC1 ZINC000043537689 343780650 /nfs/dbraw/zinc/78/06/50/343780650.db2.gz RHQJNVFPKGZSAI-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN Fc1cccc(F)c1[C@H]1NCCS1 ZINC000050522675 343782094 /nfs/dbraw/zinc/78/20/94/343782094.db2.gz YYTVPWITSVTLDA-VIFPVBQESA-N 0 0 201.241 2.300 10 0 BEAERN Clc1cc(N2C[C@@H]3CCC[C@H]3C2)ncn1 ZINC000126401820 343786737 /nfs/dbraw/zinc/78/67/37/343786737.db2.gz BJOHMLBWHXRDQP-IUCAKERBSA-N 0 0 223.707 2.366 10 0 BEAERN O=C1COc2cc3ccccc3cc2OC1 ZINC000136679787 343788962 /nfs/dbraw/zinc/78/89/62/343788962.db2.gz LULINCQYMZAICU-UHFFFAOYSA-N 0 0 214.220 2.180 10 0 BEAERN O=c1cc(-c2c(F)cccc2Cl)[nH]c(=O)[nH]1 ZINC000309339171 343790856 /nfs/dbraw/zinc/79/08/56/343790856.db2.gz WISOSAPWIDZLOR-UHFFFAOYSA-N 0 0 240.621 2.347 10 0 BEAERN O=C1C[C@@H](c2cccc(Cl)c2)CCN1 ZINC000210725815 343791906 /nfs/dbraw/zinc/79/19/06/343791906.db2.gz XHIDDNZOPAVBBZ-VIFPVBQESA-N 0 0 209.676 2.334 10 0 BEAERN CC1(c2ccc3c(c2)OCCCO3)OCCO1 ZINC000057526933 187273077 /nfs/dbraw/zinc/27/30/77/187273077.db2.gz BRBHAUDHQLBCGM-UHFFFAOYSA-N 0 0 236.267 2.067 10 0 BEAERN Oc1cc(Br)c2c(c1)OCCCO2 ZINC000217653397 343793208 /nfs/dbraw/zinc/79/32/08/343793208.db2.gz LKMNKTXNNNJRLY-UHFFFAOYSA-N 0 0 245.072 2.316 10 0 BEAERN C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446376 343793750 /nfs/dbraw/zinc/79/37/50/343793750.db2.gz QMNJMLCCYQHCSA-DGCLKSJQSA-N 0 0 233.311 2.024 10 0 BEAERN C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446371 343793767 /nfs/dbraw/zinc/79/37/67/343793767.db2.gz QMNJMLCCYQHCSA-WCQYABFASA-N 0 0 233.311 2.024 10 0 BEAERN Cc1ccccc1[C@@H]1CC(=O)NCCS1 ZINC000231561925 343794180 /nfs/dbraw/zinc/79/41/80/343794180.db2.gz JRAOKGPXIYSLQT-NSHDSACASA-N 0 0 221.325 2.289 10 0 BEAERN Cc1cc(C)cc(-c2cc(=O)[nH]cn2)c1 ZINC000235840298 343795250 /nfs/dbraw/zinc/79/52/50/343795250.db2.gz YMEFRMCRFGAEDX-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN O=c1cc(-c2cccc(F)c2)nc(C2CC2)[nH]1 ZINC000236238200 343795686 /nfs/dbraw/zinc/79/56/86/343795686.db2.gz MGXPNEXXCIYROH-UHFFFAOYSA-N 0 0 230.242 2.453 10 0 BEAERN O=Cc1cn(Cc2ccc(F)cc2F)cn1 ZINC000236226412 343795730 /nfs/dbraw/zinc/79/57/30/343795730.db2.gz DGYNHHZKCVRHHK-UHFFFAOYSA-N 0 0 222.194 2.022 10 0 BEAERN O=Cc1cn2c(n1)CO[C@@H](c1cccs1)C2 ZINC000409427617 343801748 /nfs/dbraw/zinc/80/17/48/343801748.db2.gz KBWPMRZMNAYOKK-SECBINFHSA-N 0 0 234.280 2.029 10 0 BEAERN Cc1nc(Cc2ccc(F)cc2)cc(=O)[nH]1 ZINC000409427787 343801787 /nfs/dbraw/zinc/80/17/87/343801787.db2.gz CIYZQFDBBHLMFG-UHFFFAOYSA-N 0 0 218.231 2.221 10 0 BEAERN O=c1cc(Cc2ccc(Cl)cc2)nc[nH]1 ZINC000409427774 343801804 /nfs/dbraw/zinc/80/18/04/343801804.db2.gz CHVAXFAQZPJTDZ-UHFFFAOYSA-N 0 0 220.659 2.426 10 0 BEAERN C[C@H](O)[C@H]1CCCCN1c1ccccc1N ZINC000409425651 343819742 /nfs/dbraw/zinc/81/97/42/343819742.db2.gz GJKPMECVBWCQRM-CMPLNLGQSA-N 0 0 220.316 2.009 10 0 BEAERN CC(C)C1CCC([C@@H](C[NH3+])C(=O)[O-])CC1 ZINC000238113157 537817097 /nfs/dbraw/zinc/81/70/97/537817097.db2.gz AIYBUFIBYFKIHZ-VQXHTEKXSA-N 0 0 213.321 2.108 10 0 BEAERN O=C1CC(COc2ncccc2C(F)(F)F)C1 ZINC000409431742 343822574 /nfs/dbraw/zinc/82/25/74/343822574.db2.gz KNUCHCGDEOWUEL-UHFFFAOYSA-N 0 0 245.200 2.458 10 0 BEAERN Nc1ccc(N2CCC(CCF)CC2)nc1 ZINC000409431431 343823585 /nfs/dbraw/zinc/82/35/85/343823585.db2.gz SIBYECGJGXRNJE-UHFFFAOYSA-N 0 0 223.295 2.240 10 0 BEAERN O=C1CC(c2nc3c(s2)CCCC3)C1 ZINC000409431957 343824418 /nfs/dbraw/zinc/82/44/18/343824418.db2.gz MQMXQBLPAOHVTD-UHFFFAOYSA-N 0 0 207.298 2.468 10 0 BEAERN CCc1csc(N[C@H](C)[C@H](C)CO)n1 ZINC000130602727 133505695 /nfs/dbraw/zinc/50/56/95/133505695.db2.gz FTDKRZBRDJJUSE-HTQZYQBOSA-N 0 0 214.334 2.134 10 0 BEAERN O=c1cc(Cc2ccsc2)[nH]c(=S)[nH]1 ZINC000409430721 343808589 /nfs/dbraw/zinc/80/85/89/343808589.db2.gz MZYWASCRMFJUKU-UHFFFAOYSA-N 0 0 224.310 2.123 10 0 BEAERN Clc1nc(N2CCC2)nc2ccccc12 ZINC000409430553 343808677 /nfs/dbraw/zinc/80/86/77/343808677.db2.gz MMVCOARDAWZKSE-UHFFFAOYSA-N 0 0 219.675 2.493 10 0 BEAERN OCc1c(-c2ccco2)n[nH]c1C1CCC1 ZINC000409440632 343853018 /nfs/dbraw/zinc/85/30/18/343853018.db2.gz NPRFPNPITHNAIO-UHFFFAOYSA-N 0 0 218.256 2.430 10 0 BEAERN Cc1ccc(-c2cc(=S)[nH]c(=O)[nH]2)cc1 ZINC000409440076 343854015 /nfs/dbraw/zinc/85/40/15/343854015.db2.gz VQIQMSVXLJQMHS-UHFFFAOYSA-N 0 0 218.281 2.446 10 0 BEAERN COC(=O)CCc1c(C)[nH]nc1C1CCC1 ZINC000409441033 343854893 /nfs/dbraw/zinc/85/48/93/343854893.db2.gz PJKCIMDCVZMLIA-UHFFFAOYSA-N 0 0 222.288 2.091 10 0 BEAERN CC(C)c1[nH]nc(-c2ccncc2)c1CCO ZINC000409441263 343855703 /nfs/dbraw/zinc/85/57/03/343855703.db2.gz QLUZWFPJXVRRPJ-UHFFFAOYSA-N 0 0 231.299 2.130 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C(C)(C)C(C)(F)F ZINC000405914671 229522560 /nfs/dbraw/zinc/52/25/60/229522560.db2.gz IXFGPTVTLIBWHR-DTWKUNHWSA-N 0 0 249.301 2.040 10 0 BEAERN COc1cc(CO)c(Cl)cc1Cl ZINC000215347907 349874486 /nfs/dbraw/zinc/87/44/86/349874486.db2.gz UOXZIQOQDQWDLW-UHFFFAOYSA-N 0 0 207.056 2.494 10 0 BEAERN CCOC[C@H]1CN(c2ccccc2N)C[C@@H]1C ZINC000409436398 343839290 /nfs/dbraw/zinc/83/92/90/343839290.db2.gz ZPEMWYMMUFCVOX-NWDGAFQWSA-N 0 0 234.343 2.378 10 0 BEAERN CCOC[C@@H]1CN(c2ccccc2N)C[C@@H]1C ZINC000409436399 343839352 /nfs/dbraw/zinc/83/93/52/343839352.db2.gz ZPEMWYMMUFCVOX-RYUDHWBXSA-N 0 0 234.343 2.378 10 0 BEAERN CCn1nc(-c2ccncc2)c2c1CCC2 ZINC000409436913 343841477 /nfs/dbraw/zinc/84/14/77/343841477.db2.gz CFQYOLGZKQFMHD-UHFFFAOYSA-N 0 0 213.284 2.454 10 0 BEAERN CCn1cc(CO)c(-c2cccs2)n1 ZINC000409439022 343845907 /nfs/dbraw/zinc/84/59/07/343845907.db2.gz NROOWDWNEVIFSN-UHFFFAOYSA-N 0 0 208.286 2.124 10 0 BEAERN COC(=O)[C@H](C)n1cc(-c2ccsc2)cn1 ZINC000409438856 343845911 /nfs/dbraw/zinc/84/59/11/343845911.db2.gz MRIILMHBFDUBSN-QMMMGPOBSA-N 0 0 236.296 2.346 10 0 BEAERN Cn1nc(-c2ccncc2)c2c1CCSC2 ZINC000409438889 343845937 /nfs/dbraw/zinc/84/59/37/343845937.db2.gz MWOVSCWJEJLVET-UHFFFAOYSA-N 0 0 231.324 2.271 10 0 BEAERN COC(=N)Cn1ccc(-c2cccs2)n1 ZINC000409439141 343846423 /nfs/dbraw/zinc/84/64/23/343846423.db2.gz HIDKZDARNOVYTC-UHFFFAOYSA-N 0 0 221.285 2.235 10 0 BEAERN COC(=O)c1c(C)[nH]nc1-c1ccsc1 ZINC000409439072 343846651 /nfs/dbraw/zinc/84/66/51/343846651.db2.gz GMSMFWUUPBTESU-UHFFFAOYSA-N 0 0 222.269 2.233 10 0 BEAERN CC(C)n1c(=O)[nH]c(=O)cc1-c1ccsc1 ZINC000409439620 343848045 /nfs/dbraw/zinc/84/80/45/343848045.db2.gz SPTCNKMAWWSDKZ-UHFFFAOYSA-N 0 0 236.296 2.258 10 0 BEAERN OCc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409438267 343850111 /nfs/dbraw/zinc/85/01/11/343850111.db2.gz BXGSUXOKGVDFBL-UHFFFAOYSA-N 0 0 220.194 2.188 10 0 BEAERN CCc1[nH]nc(C2CCCC2)c1CCC(N)=O ZINC000409438255 343850158 /nfs/dbraw/zinc/85/01/58/343850158.db2.gz BTYZALBUPDLLIG-UHFFFAOYSA-N 0 0 235.331 2.048 10 0 BEAERN CCn1nc(-c2cnccn2)c2c1CCCC2 ZINC000409438248 343850385 /nfs/dbraw/zinc/85/03/85/343850385.db2.gz LFGCVSKOLHVSPO-UHFFFAOYSA-N 0 0 228.299 2.239 10 0 BEAERN CC(C)c1[nH]nc(-c2cccnc2)c1C=O ZINC000409442101 343857233 /nfs/dbraw/zinc/85/72/33/343857233.db2.gz WODVGTXWCMAKNO-UHFFFAOYSA-N 0 0 215.256 2.408 10 0 BEAERN CCn1cc(C(=O)OC)c(-c2ccsc2)n1 ZINC000409440365 343852010 /nfs/dbraw/zinc/85/20/10/343852010.db2.gz SOYSSPZTBUQDTN-UHFFFAOYSA-N 0 0 236.296 2.418 10 0 BEAERN OCc1c(-c2cccnc2)n[nH]c1C1CCC1 ZINC000409442193 343857540 /nfs/dbraw/zinc/85/75/40/343857540.db2.gz XMGQLGQMVOIVFW-UHFFFAOYSA-N 0 0 229.283 2.232 10 0 BEAERN CC(C)c1[nH]nc(-c2ccccn2)c1CO ZINC000409442289 343857704 /nfs/dbraw/zinc/85/77/04/343857704.db2.gz YOCZNRIITZFYNA-UHFFFAOYSA-N 0 0 217.272 2.087 10 0 BEAERN COC(=O)CCc1c(C)[nH]nc1CC(C)C ZINC000409441361 343858964 /nfs/dbraw/zinc/85/89/64/343858964.db2.gz RHCATPBRLUMOQS-UHFFFAOYSA-N 0 0 224.304 2.022 10 0 BEAERN COC(=O)CCc1c[nH]nc1-c1ccsc1 ZINC000409441765 343861011 /nfs/dbraw/zinc/86/10/11/343861011.db2.gz TZQLSVBZVZVRIM-UHFFFAOYSA-N 0 0 236.296 2.244 10 0 BEAERN NCc1nc([C@H](C2CCCC2)n2cccc2)no1 ZINC000409441857 343861905 /nfs/dbraw/zinc/86/19/05/343861905.db2.gz RUYIPHMYNXRSPC-LBPRGKRZSA-N 0 0 246.314 2.109 10 0 BEAERN COC(=N)c1cc(C(F)(F)F)nn1C(F)F ZINC000409443826 343862872 /nfs/dbraw/zinc/86/28/72/343862872.db2.gz VAJMTLGXWMYTEE-UHFFFAOYSA-N 0 0 243.135 2.269 10 0 BEAERN O=Cc1cc(-c2cccnc2)nn1CC1CC1 ZINC000409443776 343862907 /nfs/dbraw/zinc/86/29/07/343862907.db2.gz UDJNEGJBOIOBNH-UHFFFAOYSA-N 0 0 227.267 2.168 10 0 BEAERN CCn1nc(-c2cccs2)cc1CO ZINC000409443895 343863492 /nfs/dbraw/zinc/86/34/92/343863492.db2.gz WFMYTUIFCUNXFM-UHFFFAOYSA-N 0 0 208.286 2.124 10 0 BEAERN COCCn1nc(-c2ccccc2)cc1C=O ZINC000409443129 343865593 /nfs/dbraw/zinc/86/55/93/343865593.db2.gz HMMLYLONHYDRHJ-UHFFFAOYSA-N 0 0 230.267 2.009 10 0 BEAERN CC(C)n1nc(-c2cccnc2)cc1C=O ZINC000409443196 343866155 /nfs/dbraw/zinc/86/61/55/343866155.db2.gz IQKIASSHGHAABN-UHFFFAOYSA-N 0 0 215.256 2.339 10 0 BEAERN CCn1nc(-c2ccsc2)cc1CO ZINC000409443443 343867156 /nfs/dbraw/zinc/86/71/56/343867156.db2.gz NDDGOEHHRFIROZ-UHFFFAOYSA-N 0 0 208.286 2.124 10 0 BEAERN NC(=O)c1cc(-c2ccsc2)nn1CC1CC1 ZINC000409443386 343867243 /nfs/dbraw/zinc/86/72/43/343867243.db2.gz MALUHUXZGHHIQU-UHFFFAOYSA-N 0 0 247.323 2.121 10 0 BEAERN Cc1cn(CCc2cccs2)nc1N ZINC000069760241 537831881 /nfs/dbraw/zinc/83/18/81/537831881.db2.gz SBEFKEZDNFMXIE-UHFFFAOYSA-N 0 0 207.302 2.078 10 0 BEAERN COC(=N)c1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443551 343867712 /nfs/dbraw/zinc/86/77/12/343867712.db2.gz PGOCZJQHJTVRKA-UHFFFAOYSA-N 0 0 247.220 2.284 10 0 BEAERN COCCCCC(=O)NCCCCSC ZINC000126285982 343868863 /nfs/dbraw/zinc/86/88/63/343868863.db2.gz TUEDJBWBKQPKNR-UHFFFAOYSA-N 0 0 233.377 2.063 10 0 BEAERN CCOC(=O)c1cc(Cc2cccs2)ncn1 ZINC000575622899 343875182 /nfs/dbraw/zinc/87/51/82/343875182.db2.gz YNAUDIUTDNRILB-UHFFFAOYSA-N 0 0 248.307 2.306 10 0 BEAERN CCOC(=O)c1cc(C(C)C)nc(C)n1 ZINC000575622739 343875280 /nfs/dbraw/zinc/87/52/80/343875280.db2.gz STAAJLDOORISPK-UHFFFAOYSA-N 0 0 208.261 2.085 10 0 BEAERN Cc1nn(CC[C@@H]2C[C@@H]2C2CC2)cc1N ZINC000714781675 537832342 /nfs/dbraw/zinc/83/23/42/537832342.db2.gz OZWDMBYBSXKWAB-GHMZBOCLSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1cn(CC[C@@H]2C[C@H]2C2CC2)nc1N ZINC000714767885 537832498 /nfs/dbraw/zinc/83/24/98/537832498.db2.gz AMMANWMGSLDXFY-MNOVXSKESA-N 0 0 205.305 2.210 10 0 BEAERN O=Cc1cc2c[nH]c(Br)cc-2n1 ZINC000216425324 347017950 /nfs/dbraw/zinc/01/79/50/347017950.db2.gz RVTHQQXOTHUOBS-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000305992190 343937101 /nfs/dbraw/zinc/93/71/01/343937101.db2.gz UKJAZRVOLSUADU-YVECIDJPSA-N 0 0 237.343 2.060 10 0 BEAERN Cc1nc(C[C@@]2(O)C=CCCC2)cs1 ZINC000135117522 343937771 /nfs/dbraw/zinc/93/77/71/343937771.db2.gz NGOXZGHUJXJEDN-LLVKDONJSA-N 0 0 209.314 2.465 10 0 BEAERN CC(C)[C@@](C)(O)c1cc(Cl)cnc1N ZINC000069943282 343944408 /nfs/dbraw/zinc/94/44/08/343944408.db2.gz SJEDQRXPKDZQRR-SNVBAGLBSA-N 0 0 214.696 2.181 10 0 BEAERN CC[C@H](N)c1nnc([C@H]2CCCS2)o1 ZINC000070005794 343946010 /nfs/dbraw/zinc/94/60/10/343946010.db2.gz SVBDGIMGSWQQGK-NKWVEPMBSA-N 0 0 213.306 2.048 10 0 BEAERN C[C@H]1CC[C@@H](c2nnc(Br)o2)O1 ZINC000157817199 343919674 /nfs/dbraw/zinc/91/96/74/343919674.db2.gz DXVMPPBJBYTLSI-WHFBIAKZSA-N 0 0 233.065 2.072 10 0 BEAERN CC[C@H](N)c1nnc([C@@H]2CCCS2)o1 ZINC000070005789 343946399 /nfs/dbraw/zinc/94/63/99/343946399.db2.gz SVBDGIMGSWQQGK-BQBZGAKWSA-N 0 0 213.306 2.048 10 0 BEAERN CCn1cc([C@H]2NCC[C@@H](C)S2)cn1 ZINC000234257598 343921264 /nfs/dbraw/zinc/92/12/64/343921264.db2.gz YVPFWGIUFOELHT-SCZZXKLOSA-N 0 0 211.334 2.017 10 0 BEAERN Brc1nnc([C@H]2CCCCO2)o1 ZINC000157854159 344042110 /nfs/dbraw/zinc/04/21/10/344042110.db2.gz HFEAUDVBSQFIPG-RXMQYKEDSA-N 0 0 233.065 2.074 10 0 BEAERN Brc1nnc(Cc2ccsc2)o1 ZINC000157853375 344042360 /nfs/dbraw/zinc/04/23/60/344042360.db2.gz SYTKUPIYRXFMIU-UHFFFAOYSA-N 0 0 245.101 2.484 10 0 BEAERN CCOC(=O)N1CCC[C@H]1c1ccncc1 ZINC000070250246 343950195 /nfs/dbraw/zinc/95/01/95/343950195.db2.gz ABVJDULYNRZLGA-NSHDSACASA-N 0 0 220.272 2.375 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)s2)CCCO1 ZINC000070609427 343953061 /nfs/dbraw/zinc/95/30/61/343953061.db2.gz NZBVKJYTHSEUHD-SECBINFHSA-N 0 0 225.313 2.176 10 0 BEAERN CN[C@@]1(C(F)(F)F)CCCC[C@@H]1OC ZINC000234442629 343966339 /nfs/dbraw/zinc/96/63/39/343966339.db2.gz AAWPNMNHBNGVHR-YUMQZZPRSA-N 0 0 211.227 2.096 10 0 BEAERN CC(C)(C[NH+]1CCCCCCC1)C(=O)[O-] ZINC000051287227 347024795 /nfs/dbraw/zinc/02/47/95/347024795.db2.gz CESDZFLKBBCPIP-UHFFFAOYSA-N 0 0 213.321 2.363 10 0 BEAERN CCc1nc(CN2[C@H](C)COC[C@H]2C)cs1 ZINC000077368069 344068391 /nfs/dbraw/zinc/06/83/91/344068391.db2.gz XXSZJFIASDFTRR-NXEZZACHSA-N 0 0 240.372 2.315 10 0 BEAERN CCC1(CC)SC(C)(C)[NH2+][C@H]1C(=O)[O-] ZINC000039101954 168465465 /nfs/dbraw/zinc/46/54/65/168465465.db2.gz DNTNSLONPGVKMY-ZETCQYMHSA-N 0 0 217.334 2.071 10 0 BEAERN C[C@H]1CCS[C@@H](c2cscn2)N1 ZINC000126790308 344103443 /nfs/dbraw/zinc/10/34/43/344103443.db2.gz FVJSRAREGWODJW-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN CC(=O)Nc1cc(=O)c2ccccc2s1 ZINC000138633898 187286442 /nfs/dbraw/zinc/28/64/42/187286442.db2.gz RPFBLJOGJOPHLS-UHFFFAOYSA-N 0 0 219.265 2.220 10 0 BEAERN CC(C)(C)c1cc2ncnc(Cl)n2n1 ZINC000091690853 187286529 /nfs/dbraw/zinc/28/65/29/187286529.db2.gz HTCTWYWOBUVGME-UHFFFAOYSA-N 0 0 210.668 2.075 10 0 BEAERN C[C@H]1C(c2ccccc2)=[N+]([O-])C2(CCCC2)N1O ZINC000145386449 344164741 /nfs/dbraw/zinc/16/47/41/344164741.db2.gz HHDCVBXJOHGTGL-NSHDSACASA-N 0 0 247.318 2.241 10 0 BEAERN C[C@@H]1C(c2ccccc2)=[N+]([O-])C2(CCCC2)N1O ZINC000145386260 344164770 /nfs/dbraw/zinc/16/47/70/344164770.db2.gz HHDCVBXJOHGTGL-LLVKDONJSA-N 0 0 247.318 2.241 10 0 BEAERN CC(=O)c1cncc(OC(F)(F)F)c1 ZINC000095642353 187287812 /nfs/dbraw/zinc/28/78/12/187287812.db2.gz QOXALTDIEUOMKY-UHFFFAOYSA-N 0 0 205.135 2.183 10 0 BEAERN CN(C)c1c(C=O)cccc1OC1CC1 ZINC000095741540 187287937 /nfs/dbraw/zinc/28/79/37/187287937.db2.gz GWSZPBXENBPGKG-UHFFFAOYSA-N 0 0 205.257 2.106 10 0 BEAERN CC(C)(C)OC(=O)n1cnc(Br)c1 ZINC000095630031 187288167 /nfs/dbraw/zinc/28/81/67/187288167.db2.gz VLWNHKQNLFMFBL-UHFFFAOYSA-N 0 0 247.092 2.429 10 0 BEAERN CCOC(=O)/C=C/C(F)(F)C(F)F ZINC000215669161 344130820 /nfs/dbraw/zinc/13/08/20/344130820.db2.gz BORHVHMNHGIJTF-ONEGZZNKSA-N 0 0 200.131 2.006 10 0 BEAERN Cc1nn(C)c(NCc2ccc(C)cc2)c1N ZINC000036749091 178637107 /nfs/dbraw/zinc/63/71/07/178637107.db2.gz WGDCJNYNBCZBHF-UHFFFAOYSA-N 0 0 230.315 2.231 10 0 BEAERN C=CS(=O)(=O)C(=C)c1ccc(OC)cc1 ZINC000096332310 187288910 /nfs/dbraw/zinc/28/89/10/187288910.db2.gz UCNIBZJNZGKSIX-UHFFFAOYSA-N 0 0 224.281 2.224 10 0 BEAERN COc1ccccc1[C@H]1CCC(=O)CC1=O ZINC000216581509 344150213 /nfs/dbraw/zinc/15/02/13/344150213.db2.gz JEFUKPFOXFTMDW-SNVBAGLBSA-N 0 0 218.252 2.101 10 0 BEAERN CCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000060635496 344151665 /nfs/dbraw/zinc/15/16/65/344151665.db2.gz GWQRGYNYMDUYLJ-ZETCQYMHSA-N 0 0 209.211 2.197 10 0 BEAERN CSCCCc1nc(C(C)C)no1 ZINC000130721206 344224277 /nfs/dbraw/zinc/22/42/77/344224277.db2.gz HXPTVJJGUPOGFT-UHFFFAOYSA-N 0 0 200.307 2.489 10 0 BEAERN CC(C)CC1(c2nc(CN)no2)CCCC1 ZINC000087318850 344231948 /nfs/dbraw/zinc/23/19/48/344231948.db2.gz SIUFISPWTITMMW-UHFFFAOYSA-N 0 0 223.320 2.386 10 0 BEAERN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)NN1 ZINC000220328479 344232379 /nfs/dbraw/zinc/23/23/79/344232379.db2.gz UCLQQEPMBRZDIU-QMMMGPOBSA-N 0 0 231.082 2.059 10 0 BEAERN CSCCC(=O)N[C@H](C)C1CCC1 ZINC000131639230 344233086 /nfs/dbraw/zinc/23/30/86/344233086.db2.gz YHHISPCJKNIADZ-MRVPVSSYSA-N 0 0 201.335 2.044 10 0 BEAERN CC(C)(C)n1c(=O)cc(O)cc1C(F)(F)F ZINC000616577397 344200252 /nfs/dbraw/zinc/20/02/52/344200252.db2.gz WAFDZSVUHPZLOY-UHFFFAOYSA-N 0 0 235.205 2.328 10 0 BEAERN CC[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 ZINC000135367082 344238613 /nfs/dbraw/zinc/23/86/13/344238613.db2.gz SVASQHASAILSON-LBPRGKRZSA-N 0 0 229.320 2.422 10 0 BEAERN Cc1ccc(-c2cc(=O)[nH]cn2)cc1C ZINC000235881807 344266367 /nfs/dbraw/zinc/26/63/67/344266367.db2.gz FXJOHZFFWKZVPY-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN COc1ccc2c(c1Cl)C(=O)NC[C@H]2C ZINC000219204956 344267294 /nfs/dbraw/zinc/26/72/94/344267294.db2.gz ZITIMAWTRRTLLP-ZCFIWIBFSA-N 0 0 225.675 2.196 10 0 BEAERN C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@H](C)O1 ZINC000072615547 344277190 /nfs/dbraw/zinc/27/71/90/344277190.db2.gz NETPERZDYIHWRL-QWRGUYRKSA-N 0 0 225.332 2.203 10 0 BEAERN Clc1nsnc1Sc1ncc[nH]1 ZINC000236035258 344284605 /nfs/dbraw/zinc/28/46/05/344284605.db2.gz MEBLNZHCCNAYFT-UHFFFAOYSA-N 0 0 218.694 2.066 10 0 BEAERN O=c1cncc(-c2ccc(Cl)s2)[nH]1 ZINC000236042079 344287625 /nfs/dbraw/zinc/28/76/25/344287625.db2.gz RVRFIPOQGNWIJP-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN C[C@H](O)c1ccc(-c2ccc(=O)n(C)c2)s1 ZINC000219686669 344288253 /nfs/dbraw/zinc/28/82/53/344288253.db2.gz SOPXBABWAKRLTL-QMMMGPOBSA-N 0 0 235.308 2.167 10 0 BEAERN CCOC(=O)[C@@H](C)c1nc(CC)cs1 ZINC000145416742 344330937 /nfs/dbraw/zinc/33/09/37/344330937.db2.gz IEFVAXBGYQYYJP-ZETCQYMHSA-N 0 0 213.302 2.372 10 0 BEAERN CCOC(=O)c1cc(OC)c(C)cc1F ZINC000238260007 344340307 /nfs/dbraw/zinc/34/03/07/344340307.db2.gz IKOWJLBAADIMCE-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN COc1ccnc(OC(F)(F)F)c1C ZINC000145606725 344354124 /nfs/dbraw/zinc/35/41/24/344354124.db2.gz MMDFMLMNICSPIM-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN Cc1ccc(Cl)c2c1NC(=O)[C@@H](C)O2 ZINC000062525424 178659607 /nfs/dbraw/zinc/65/96/07/178659607.db2.gz ACAOBAIQEJCTGC-ZCFIWIBFSA-N 0 0 211.648 2.368 10 0 BEAERN O=C1C[C@H](c2cccnc2)Oc2ccc(O)cc21 ZINC000145543430 344304085 /nfs/dbraw/zinc/30/40/85/344304085.db2.gz RUOWWYMRQXMGMH-CQSZACIVSA-N 0 0 241.246 2.494 10 0 BEAERN O=c1[nH]ccc2[nH]c3ccc(F)cc3c21 ZINC000114611940 344424357 /nfs/dbraw/zinc/42/43/57/344424357.db2.gz XXDSLQAQUKVRMF-UHFFFAOYSA-N 0 0 202.188 2.149 10 0 BEAERN C[C@@H]1C[C@@H]1c1nsc(Br)n1 ZINC000166044402 344432389 /nfs/dbraw/zinc/43/23/89/344432389.db2.gz GSNPGFUUUPJNGV-DMTCNVIQSA-N 0 0 219.107 2.424 10 0 BEAERN C/N=c1/scc(-c2csnc2C)n1C ZINC000100305061 187290763 /nfs/dbraw/zinc/29/07/63/187290763.db2.gz NBLNSSPZTGWTNL-MDZDMXLPSA-N 0 0 225.342 2.049 10 0 BEAERN Clc1cnc(-c2noc(Cl)n2)s1 ZINC000223204288 344379677 /nfs/dbraw/zinc/37/96/77/344379677.db2.gz FMXZCNBOQSVFNF-UHFFFAOYSA-N 0 0 222.056 2.500 10 0 BEAERN OCC1(Nc2ccc(Br)cc2)CC1 ZINC000236488986 344392068 /nfs/dbraw/zinc/39/20/68/344392068.db2.gz QTVULYOHDMJMRR-UHFFFAOYSA-N 0 0 242.116 2.386 10 0 BEAERN CC[C@H](NN)c1ccc(Br)s1 ZINC000097535378 344398713 /nfs/dbraw/zinc/39/87/13/344398713.db2.gz RBZBOBJZBIOJPY-YFKPBYRVSA-N 0 0 235.150 2.425 10 0 BEAERN CC(C)[C@@H]([NH3+])c1nnc(C2CCCC2)[nH]1 ZINC000041058813 187291002 /nfs/dbraw/zinc/29/10/02/187291002.db2.gz YZDMXZPYHQGZJN-SECBINFHSA-N 0 0 208.309 2.118 10 0 BEAERN COc1ccc(OC(F)(F)F)c(CO)c1 ZINC000238384473 344442031 /nfs/dbraw/zinc/44/20/31/344442031.db2.gz ALSXVWBEMFMBAX-UHFFFAOYSA-N 0 0 222.162 2.086 10 0 BEAERN CCOC(=O)c1cccc2[nH]c(=O)ccc21 ZINC000380872270 344446611 /nfs/dbraw/zinc/44/66/11/344446611.db2.gz KLYKSBCDFJEKHG-UHFFFAOYSA-N 0 0 217.224 2.117 10 0 BEAERN CC(C)(C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000072187757 344505553 /nfs/dbraw/zinc/50/55/53/344505553.db2.gz DIUYNMSJCLRUFX-UHFFFAOYSA-N 0 0 235.331 2.162 10 0 BEAERN Cc1ccc(O)c(C(=O)N2C[C@@H]3CC[C@H]2C3)c1 ZINC000042351174 344451535 /nfs/dbraw/zinc/45/15/35/344451535.db2.gz DENRBDSHZYOHGY-MNOVXSKESA-N 0 0 231.295 2.325 10 0 BEAERN COc1c(N)c(C(=O)OC(C)C)ccc1Cl ZINC000042391855 344452362 /nfs/dbraw/zinc/45/23/62/344452362.db2.gz LNWUIOGPLKHBEU-UHFFFAOYSA-N 0 0 243.690 2.496 10 0 BEAERN COC(=O)c1cc(F)cc2[nH]nc(Cl)c21 ZINC000014983836 347051990 /nfs/dbraw/zinc/05/19/90/347051990.db2.gz AHMBCHHUPILCLX-UHFFFAOYSA-N 0 0 228.610 2.142 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1nc2ccccc2o1 ZINC000103363638 187291203 /nfs/dbraw/zinc/29/12/03/187291203.db2.gz YBLKQFJWRSNHSE-VIFPVBQESA-N 0 0 248.282 2.073 10 0 BEAERN Cc1ccc(Cn2nccc2N)cc1C ZINC000037180200 178667406 /nfs/dbraw/zinc/66/74/06/178667406.db2.gz CGNMRRPGQLTXGV-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN OCc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000084882471 344481701 /nfs/dbraw/zinc/48/17/01/344481701.db2.gz RICDCKXIDGEMKB-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN CC(C)CSc1ccc(N)c(C(N)=O)c1 ZINC000042373240 187291130 /nfs/dbraw/zinc/29/11/30/187291130.db2.gz URSXREDAGSHGLC-UHFFFAOYSA-N 0 0 224.329 2.116 10 0 BEAERN Cc1ccc(F)c(N[C@@H]2CCC[C@H]2O)c1 ZINC000037690019 178676227 /nfs/dbraw/zinc/67/62/27/178676227.db2.gz POWZRTANGZYXAO-ZYHUDNBSSA-N 0 0 209.264 2.459 10 0 BEAERN C[C@@H](C[N@H+](C)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536788 344518691 /nfs/dbraw/zinc/51/86/91/344518691.db2.gz QUURYKHPWPTLCP-VHSXEESVSA-N 0 0 249.301 2.464 10 0 BEAERN C[C@H](C[N@H+](C)C[C@@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536791 344518695 /nfs/dbraw/zinc/51/86/95/344518695.db2.gz QUURYKHPWPTLCP-ZJUUUORDSA-N 0 0 249.301 2.464 10 0 BEAERN CS[C@@H]1CCC[C@@H]1Nc1ncns1 ZINC000230344517 344527333 /nfs/dbraw/zinc/52/73/33/344527333.db2.gz SFFIMHFDABUPJW-NKWVEPMBSA-N 0 0 215.347 2.234 10 0 BEAERN Clc1cnnc2c1ncn2C1CCC1 ZINC000150067689 344541261 /nfs/dbraw/zinc/54/12/61/344541261.db2.gz ZXGAGTCOIGVCFB-UHFFFAOYSA-N 0 0 208.652 2.205 10 0 BEAERN C[C@H]1C[C@H](C)N(c2nc(Cl)nc(Cl)n2)C1 ZINC000158096193 344541811 /nfs/dbraw/zinc/54/18/11/344541811.db2.gz XUUSQYSQLKDJBV-WDSKDSINSA-N 0 0 247.129 2.413 10 0 BEAERN Fc1ccc(Br)cc1C1(F)CNC1 ZINC000158125600 344549094 /nfs/dbraw/zinc/54/90/94/344549094.db2.gz YLXDMUXVJXLQCE-UHFFFAOYSA-N 0 0 248.070 2.356 10 0 BEAERN C[C@@H]1C[C@@H](CNc2cccnn2)C[C@H](C)O1 ZINC000309833683 259377825 /nfs/dbraw/zinc/37/78/25/259377825.db2.gz ZJWNVXNOZDLSIJ-JGPRNRPPSA-N 0 0 221.304 2.092 10 0 BEAERN Cc1cnc(Cl)nc1N(C)C1CCC1 ZINC000127665316 344591367 /nfs/dbraw/zinc/59/13/67/344591367.db2.gz XMJZKROYVHIQGR-UHFFFAOYSA-N 0 0 211.696 2.427 10 0 BEAERN O=Cc1cccc([N+](=O)[O-])c1OC(F)(F)F ZINC000396097112 344598979 /nfs/dbraw/zinc/59/89/79/344598979.db2.gz OCNZMOMSSQWNKY-UHFFFAOYSA-N 0 0 235.117 2.306 10 0 BEAERN COc1ccc(C[N@H+](C)CCC(C)=O)cc1C ZINC000103145459 187291799 /nfs/dbraw/zinc/29/17/99/187291799.db2.gz VGEGCVJUOLFULX-UHFFFAOYSA-N 0 0 235.327 2.415 10 0 BEAERN CCc1oc(I)nc1C ZINC000230399990 344582627 /nfs/dbraw/zinc/58/26/27/344582627.db2.gz XKGYFJDSGRBXHQ-UHFFFAOYSA-N 0 0 237.040 2.150 10 0 BEAERN Cc1ccc(F)c([C@@H]2NC(=O)[C@H]3CCCCN32)c1 ZINC000172856733 178680430 /nfs/dbraw/zinc/68/04/30/178680430.db2.gz APTSEVJDXOTRTN-CHWSQXEVSA-N 0 0 248.301 2.117 10 0 BEAERN COc1cc(OC(F)F)c(OC)cc1F ZINC000396123218 344608948 /nfs/dbraw/zinc/60/89/48/344608948.db2.gz CNFHDZWOGWXPKT-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN COc1ccc(OC(F)F)c(OC)c1F ZINC000396124017 344609486 /nfs/dbraw/zinc/60/94/86/344609486.db2.gz GEJZXZGOXSDDMA-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN O=[N+]([O-])c1cc(F)c(F)c(OC(F)F)c1 ZINC000396126037 344609711 /nfs/dbraw/zinc/60/97/11/344609711.db2.gz KPYXZHKAMXGQKF-UHFFFAOYSA-N 0 0 225.097 2.474 10 0 BEAERN COc1cc(OC)c(F)c(OC(F)F)c1 ZINC000396126160 344609954 /nfs/dbraw/zinc/60/99/54/344609954.db2.gz MASFCKCGIJRIPM-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN CCOc1cc(OC)cc(OC)c1F ZINC000396127914 344610178 /nfs/dbraw/zinc/61/01/78/344610178.db2.gz SCCMJPKRJNGFOK-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(C#N)c1O ZINC000396144987 344618317 /nfs/dbraw/zinc/61/83/17/344618317.db2.gz RNDJEQGGNBTNLU-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN COC(=O)c1ncc(OC(F)F)cc1Cl ZINC000396133797 344612334 /nfs/dbraw/zinc/61/23/34/344612334.db2.gz BCIDNVGZAKNJHL-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)c1cncc(Cl)c1OC(F)F ZINC000396134081 344612464 /nfs/dbraw/zinc/61/24/64/344612464.db2.gz CJRNEEAEMFIIKA-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)c1cc(Cl)ncc1OC(F)F ZINC000396134052 344612609 /nfs/dbraw/zinc/61/26/09/344612609.db2.gz BZADNWUIAKFUJA-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)c1cc(OC(F)F)cnc1Cl ZINC000396135213 344613304 /nfs/dbraw/zinc/61/33/04/344613304.db2.gz HNKCOGATSJWAMR-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1ccc(O)c(CC)c1C#N ZINC000396137089 344613618 /nfs/dbraw/zinc/61/36/18/344613618.db2.gz NBMARIARYUXJSA-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1ccc(F)c(F)c1C#N ZINC000396140157 344615004 /nfs/dbraw/zinc/61/50/04/344615004.db2.gz AEIVFDRQCPDDKV-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN COC(=O)c1ccc(OC(F)F)nc1Cl ZINC000396139871 344615052 /nfs/dbraw/zinc/61/50/52/344615052.db2.gz WOUJRDZOCJYHQX-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(C)c1F ZINC000396140141 344615074 /nfs/dbraw/zinc/61/50/74/344615074.db2.gz AAEZCRPMRIBQMR-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)c1cc(C#N)cc(Cl)c1OC ZINC000396142626 344616361 /nfs/dbraw/zinc/61/63/61/344616361.db2.gz JDJPXGGKIUXFPL-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCc1ccc(C)c(CC(=O)OC)c1C#N ZINC000396143261 344616766 /nfs/dbraw/zinc/61/67/66/344616766.db2.gz AQJDDMAPQLEEJX-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(CC)c1O ZINC000396143650 344617179 /nfs/dbraw/zinc/61/71/79/344617179.db2.gz NBXQZVQMEBFCJR-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)Cc1c(F)ccc(C#N)c1Cl ZINC000396143333 344617257 /nfs/dbraw/zinc/61/72/57/344617257.db2.gz AWUGHIVPHAONHX-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCc1c(CC(=O)OC)ccc(C)c1C#N ZINC000396144150 344617386 /nfs/dbraw/zinc/61/73/86/344617386.db2.gz CNRBRRVDDLKPPH-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1cc(CC)c(C#N)cc1O ZINC000396144384 344617902 /nfs/dbraw/zinc/61/79/02/344617902.db2.gz PADRXQALLZJALJ-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN OCc1nccc(OC(F)F)c1C(F)(F)F ZINC000396092783 344599569 /nfs/dbraw/zinc/59/95/69/344599569.db2.gz FULSWXQGBGRHCV-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1cncc(C(F)(F)F)c1OC(F)F ZINC000396091585 344599595 /nfs/dbraw/zinc/59/95/95/344599595.db2.gz CUEKLUFLKMHMCO-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN O=Cc1c(OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000396094539 344600114 /nfs/dbraw/zinc/60/01/14/344600114.db2.gz JPXXTJSKDGDRQP-UHFFFAOYSA-N 0 0 235.117 2.306 10 0 BEAERN OCc1c(OC(F)F)ccnc1C(F)(F)F ZINC000396102721 344602851 /nfs/dbraw/zinc/60/28/51/344602851.db2.gz XDMNEGUMZHCLLV-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1cc(C(F)(F)F)ncc1OC(F)F ZINC000396103201 344602869 /nfs/dbraw/zinc/60/28/69/344602869.db2.gz XQJRZRSOUQAQDC-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COC(=O)c1nccc(C(F)(F)F)c1F ZINC000396110011 344604841 /nfs/dbraw/zinc/60/48/41/344604841.db2.gz FOQVHFYPTYOVDE-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN COc1c(F)c(N)ccc1OC(F)(F)F ZINC000396109366 344604952 /nfs/dbraw/zinc/60/49/52/344604952.db2.gz XYJBRSCBAAVQEW-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COC(=O)c1cc(F)c(C(F)(F)F)cn1 ZINC000396110217 344605416 /nfs/dbraw/zinc/60/54/16/344605416.db2.gz GISJWORUNQRINK-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1c(F)cc(C)cc1[N+](=O)[O-] ZINC000396112685 344605970 /nfs/dbraw/zinc/60/59/70/344605970.db2.gz BHFZCZKNVQPGBE-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN Nc1c(F)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000396114148 344606020 /nfs/dbraw/zinc/60/60/20/344606020.db2.gz FAHBFYBXEXAHJV-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN COc1c(C=O)cccc1OC(F)F ZINC000396115899 344606376 /nfs/dbraw/zinc/60/63/76/344606376.db2.gz BNLYHDSHSBNXBS-UHFFFAOYSA-N 0 0 202.156 2.109 10 0 BEAERN CN(C)c1cc(OC(F)(F)F)ccc1CO ZINC000396115136 344606377 /nfs/dbraw/zinc/60/63/77/344606377.db2.gz ABXCGTFYSGZAKI-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CCOC(=O)c1ccc([N+](=O)[O-])c(F)c1C ZINC000396117785 344607031 /nfs/dbraw/zinc/60/70/31/344607031.db2.gz LACKZRBWUXTEOH-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN COC1(c2ncc([C@H](C)O)s2)CCC1 ZINC000158446827 344655186 /nfs/dbraw/zinc/65/51/86/344655186.db2.gz KDCGELQNOIRLRU-ZETCQYMHSA-N 0 0 213.302 2.222 10 0 BEAERN Cc1[n-]n(C(C)C)c(=O)c1Br ZINC000127844563 344666316 /nfs/dbraw/zinc/66/63/16/344666316.db2.gz QELZQGARGZQWKL-UHFFFAOYSA-N 0 0 219.082 2.241 10 0 BEAERN Fc1cnccc1-c1nc(Br)no1 ZINC000158577975 344682098 /nfs/dbraw/zinc/68/20/98/344682098.db2.gz FAQXLWTZTNABLN-UHFFFAOYSA-N 0 0 244.023 2.033 10 0 BEAERN C[C@@H](c1cccnc1)N1CCC(=O)[C@@H](C)C1 ZINC000049693729 344682399 /nfs/dbraw/zinc/68/23/99/344682399.db2.gz RYARLZWOMNSDHU-QWRGUYRKSA-N 0 0 218.300 2.054 10 0 BEAERN COc1ccc(C)c(O)c1Br ZINC000215480662 344677039 /nfs/dbraw/zinc/67/70/39/344677039.db2.gz JQCKAANGRJRNHN-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COc1cc(O)cc(Br)c1C ZINC000215480343 344677215 /nfs/dbraw/zinc/67/72/15/344677215.db2.gz CAAAXZZKQHYHQO-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CCc1cc(C)c(C#N)c(CC(=O)OC)c1 ZINC000396145957 344619565 /nfs/dbraw/zinc/61/95/65/344619565.db2.gz IOAITHGFLGYIFM-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1cc(C#N)c(CC(=O)OC)cc1C ZINC000396146547 344620054 /nfs/dbraw/zinc/62/00/54/344620054.db2.gz JWXNKXFTOMNFNO-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1c(C)ccc(OC)c1C#N ZINC000396146445 344620119 /nfs/dbraw/zinc/62/01/19/344620119.db2.gz CMKSEOOXRNDDPE-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)Cc1c(Cl)cc(F)cc1C#N ZINC000396146616 344620259 /nfs/dbraw/zinc/62/02/59/344620259.db2.gz KFODBKTYFNAEFK-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)Cc1cc(C#N)c(Cl)cc1F ZINC000396146989 344620469 /nfs/dbraw/zinc/62/04/69/344620469.db2.gz KLVJBEJBZKWLPK-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)c1c(Cl)c(C)ccc1[N+](=O)[O-] ZINC000396149539 344622831 /nfs/dbraw/zinc/62/28/31/344622831.db2.gz OQHDBISPIAWACQ-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(F)c1C#N ZINC000396149536 344623076 /nfs/dbraw/zinc/62/30/76/344623076.db2.gz OPFOLFSPWZMIJM-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1ccc(Cl)c(C#N)c1F ZINC000396150412 344623469 /nfs/dbraw/zinc/62/34/69/344623469.db2.gz PHUIRKMDVIVXBK-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1cc(C)c(OC)cc1C#N ZINC000396150691 344623721 /nfs/dbraw/zinc/62/37/21/344623721.db2.gz KABGEZGVMSKVQF-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)Cc1c(Cl)c(C)ccc1[N+](=O)[O-] ZINC000396153562 344625610 /nfs/dbraw/zinc/62/56/10/344625610.db2.gz CYTDDWBAQDOCBD-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)Cc1c(O)cc(Cl)cc1C#N ZINC000396154928 344626451 /nfs/dbraw/zinc/62/64/51/344626451.db2.gz VCSMSEYVWXJMPS-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN N#Cc1cc(OC(F)F)cc(C(=O)OCl)c1 ZINC000396155162 344626817 /nfs/dbraw/zinc/62/68/17/344626817.db2.gz GKWPUOHAMQPGFV-UHFFFAOYSA-N 0 0 247.584 2.470 10 0 BEAERN CCc1ccc(CC(=O)OC)c(C#N)c1C ZINC000396155686 344627381 /nfs/dbraw/zinc/62/73/81/344627381.db2.gz WENMGKVFCMOFMY-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1nc(CNC(=O)N[C@@H](C)CC)cs1 ZINC000107754938 347063627 /nfs/dbraw/zinc/06/36/27/347063627.db2.gz BNRMGFDJOPJRPX-QMMMGPOBSA-N 0 0 241.360 2.303 10 0 BEAERN CCOC(=O)Cc1cc(C#N)cc(F)c1Cl ZINC000396156590 344628116 /nfs/dbraw/zinc/62/81/16/344628116.db2.gz XUOKXAXRWRENPW-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)c1cc(Cl)cc(C)c1[N+](=O)[O-] ZINC000396157846 344629017 /nfs/dbraw/zinc/62/90/17/344629017.db2.gz ZMXGGUHKYAPLEZ-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCc1cc(C#N)c(C(=O)OC)cc1C ZINC000396168615 344630608 /nfs/dbraw/zinc/63/06/08/344630608.db2.gz XHBLMUVHFYRNHF-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCc1cc(F)c(C#N)c(C(=O)OC)c1 ZINC000396160236 344632956 /nfs/dbraw/zinc/63/29/56/344632956.db2.gz MJOATCVPGFWPJY-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)c1cc(C(F)F)c(C#N)cc1F ZINC000396160455 344633415 /nfs/dbraw/zinc/63/34/15/344633415.db2.gz YFWDDTQTPFYRJO-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN COC(=O)Cc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000396160440 344633481 /nfs/dbraw/zinc/63/34/81/344633481.db2.gz MWRNJPRJNAPQDU-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN COC(=O)Cc1cc([N+](=O)[O-])c(C)cc1Cl ZINC000396160746 344633525 /nfs/dbraw/zinc/63/35/25/344633525.db2.gz OEQYMKGDFZKUKM-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1c(Cl)ccc(CC(=O)OC)c1C#N ZINC000396161449 344633742 /nfs/dbraw/zinc/63/37/42/344633742.db2.gz NXWIRMOCXGHVKI-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCc1c(C)cc(C#N)cc1C(=O)OC ZINC000396161350 344633824 /nfs/dbraw/zinc/63/38/24/344633824.db2.gz NJDGJSOILFMCJI-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN COC(=O)Cc1cc([N+](=O)[O-])cc(Cl)c1C ZINC000396162472 344634761 /nfs/dbraw/zinc/63/47/61/344634761.db2.gz OUDXQVPUMUISLN-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1c(F)cc(CC)cc1C#N ZINC000396162440 344634764 /nfs/dbraw/zinc/63/47/64/344634764.db2.gz OQAYSUSFTHGVEC-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1ccc(C)c(C#N)c1C ZINC000396164832 344635439 /nfs/dbraw/zinc/63/54/39/344635439.db2.gz OCJUFUPRHYYKPB-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN COC(=O)Cc1c(C)c(Cl)ccc1[N+](=O)[O-] ZINC000396164336 344635531 /nfs/dbraw/zinc/63/55/31/344635531.db2.gz RPUFGUVRHGICDD-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(F)c1CC ZINC000396166104 344635911 /nfs/dbraw/zinc/63/59/11/344635911.db2.gz ULBJMTMVTDVJFU-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1cc(C=O)c(Cl)cc1C#N ZINC000396165098 344635956 /nfs/dbraw/zinc/63/59/56/344635956.db2.gz SGWQSPNJRYFIBK-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)c1c(Cl)ccc(C=O)c1C#N ZINC000396165081 344635966 /nfs/dbraw/zinc/63/59/66/344635966.db2.gz SEXCRBAPHLIUQT-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1ccc(C(=O)OC)c(C)c1C#N ZINC000396166120 344636482 /nfs/dbraw/zinc/63/64/82/344636482.db2.gz UPVJSWWLMBZDBH-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+](C)Cc1ccc(F)cc1 ZINC000104270388 187291949 /nfs/dbraw/zinc/29/19/49/187291949.db2.gz QCSSKEXACMPZIE-JXMROGBWSA-N 0 0 237.274 2.288 10 0 BEAERN CCc1nccn1-c1cnc2ccccc2n1 ZINC000104289600 187292123 /nfs/dbraw/zinc/29/21/23/187292123.db2.gz MALJDSLRNCDWRV-UHFFFAOYSA-N 0 0 224.267 2.378 10 0 BEAERN COC(=O)c1c(C)c(Br)ccc1O ZINC000115889424 344720016 /nfs/dbraw/zinc/72/00/16/344720016.db2.gz PBURSJGQLZAYEA-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN O[C@@H](Cc1ccncc1Cl)C(F)(F)Cl ZINC000158695916 344725745 /nfs/dbraw/zinc/72/57/45/344725745.db2.gz MZEUGCBRXFCFIQ-ZETCQYMHSA-N 0 0 242.052 2.470 10 0 BEAERN O[C@@H](Cc1cc(F)ccc1F)C(F)F ZINC000158724846 344733126 /nfs/dbraw/zinc/73/31/26/344733126.db2.gz HMJFXFFWCAMIGA-QMMMGPOBSA-N 0 0 208.154 2.133 10 0 BEAERN CCc1nnc(Cl)n1[C@H](C)[C@H]1CCOC1 ZINC000158753651 344740505 /nfs/dbraw/zinc/74/05/05/344740505.db2.gz DRGZEIYZYMNBKY-SFYZADRCSA-N 0 0 229.711 2.091 10 0 BEAERN CC(C)OCC(=O)Nc1ccnc(Cl)c1 ZINC000158589494 344686384 /nfs/dbraw/zinc/68/63/84/344686384.db2.gz RLDLPYJJRLPBQW-UHFFFAOYSA-N 0 0 228.679 2.099 10 0 BEAERN Cn1ncnc1Sc1cccc(Cl)n1 ZINC000127935227 344686486 /nfs/dbraw/zinc/68/64/86/344686486.db2.gz CBVCCUUBUIVDAS-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN Cc1cccc(C(N)=S)c1NC1CC1 ZINC000221159540 344687867 /nfs/dbraw/zinc/68/78/67/344687867.db2.gz UMMHYABMPSPUNI-UHFFFAOYSA-N 0 0 206.314 2.204 10 0 BEAERN Cc1ccc(N)c([C@@H](N)C(F)(F)F)c1 ZINC000072191433 178705246 /nfs/dbraw/zinc/70/52/46/178705246.db2.gz BTINRYMIESKOMW-MRVPVSSYSA-N 0 0 204.195 2.139 10 0 BEAERN Cn1ccc(=O)c2ccc(Br)cc21 ZINC000221205989 344701631 /nfs/dbraw/zinc/70/16/31/344701631.db2.gz YMVHOUZSIDKIBQ-UHFFFAOYSA-N 0 0 238.084 2.301 10 0 BEAERN Cc1ccc(N)cc1NC[C@H]1CCCO1 ZINC000053734620 178709113 /nfs/dbraw/zinc/70/91/13/178709113.db2.gz YABDKYAMAUYHOQ-LLVKDONJSA-N 0 0 206.289 2.168 10 0 BEAERN CCOC(=O)c1cccc(C(=O)C(F)F)c1 ZINC000309461557 347070807 /nfs/dbraw/zinc/07/08/07/347070807.db2.gz RATLYMJGEBOBLL-UHFFFAOYSA-N 0 0 228.194 2.311 10 0 BEAERN CSc1c(N)nsc1NC(C)C ZINC000235059276 344754354 /nfs/dbraw/zinc/75/43/54/344754354.db2.gz LQBIXZMEYASTAG-UHFFFAOYSA-N 0 0 203.336 2.268 10 0 BEAERN C[C@H](NC(=O)C1CCC1)[C@H]1COc2ccccc21 ZINC000128281295 192076627 /nfs/dbraw/zinc/07/66/27/192076627.db2.gz QNJKFCUXJZCNIP-GXFFZTMASA-N 0 0 245.322 2.467 10 0 BEAERN CC1(C)CC[C@H](C[C@@H]2CSCC2=O)O1 ZINC000166208887 344789540 /nfs/dbraw/zinc/78/95/40/344789540.db2.gz HEUDUCYMUIYRKW-RKDXNWHRSA-N 0 0 214.330 2.266 10 0 BEAERN CC[C@H]1CC=C([C@](O)(CO)C(F)(F)F)CC1 ZINC000675052717 537860512 /nfs/dbraw/zinc/86/05/12/537860512.db2.gz IEVHEOGPCOGERW-WCBMZHEXSA-N 0 0 238.249 2.409 10 0 BEAERN CC[C@@H]1CC=C([C@@](O)(CO)C(F)(F)F)CC1 ZINC000675052716 537860522 /nfs/dbraw/zinc/86/05/22/537860522.db2.gz IEVHEOGPCOGERW-SCZZXKLOSA-N 0 0 238.249 2.409 10 0 BEAERN CCOC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000033504381 344805952 /nfs/dbraw/zinc/80/59/52/344805952.db2.gz QTSSAQZLIITOFS-PWSUYJOCSA-N 0 0 208.232 2.434 10 0 BEAERN CC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128795595 192078294 /nfs/dbraw/zinc/07/82/94/192078294.db2.gz LJXTUFQKAHTBDF-ZDUSSCGKSA-N 0 0 237.274 2.054 10 0 BEAERN Nc1cn(CCC2CCCC2)ccc1=O ZINC000300826004 537864314 /nfs/dbraw/zinc/86/43/14/537864314.db2.gz ZWPOEPIPRFIFLJ-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN CS[C@@H]1CCC[C@@H]1Nc1nncs1 ZINC000235210797 344846296 /nfs/dbraw/zinc/84/62/96/344846296.db2.gz OJTHHXBQELWJNC-NKWVEPMBSA-N 0 0 215.347 2.234 10 0 BEAERN C[C@H]1O[C@]1(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004955338 344860392 /nfs/dbraw/zinc/86/03/92/344860392.db2.gz PHJIDIOTCJJTEN-PGYXKUGCSA-N 0 0 247.250 2.355 10 0 BEAERN Cc1ccc(NC2CCS(=O)CC2)cc1 ZINC000042335812 178756752 /nfs/dbraw/zinc/75/67/52/178756752.db2.gz DVCGXPVEYVBFEH-UHFFFAOYSA-N 0 0 223.341 2.318 10 0 BEAERN C[C@@H]1CC(O)=C(C(=O)C(C)(F)F)[C@@H](C)C1 ZINC000300913206 537869235 /nfs/dbraw/zinc/86/92/35/537869235.db2.gz SBLQGSQJILGIBB-ZKWXMUAHSA-N 0 0 218.243 2.462 10 0 BEAERN C[C@@H]1CCCN1c1nc(F)c(F)cc1F ZINC000235260739 344861725 /nfs/dbraw/zinc/86/17/25/344861725.db2.gz HATZWPXOLOBOTR-ZCFIWIBFSA-N 0 0 216.206 2.488 10 0 BEAERN CCOC(=O)c1nc(C(C)C)ncc1C ZINC000300934069 537870171 /nfs/dbraw/zinc/87/01/71/537870171.db2.gz MWWSJKICSDOQJP-UHFFFAOYSA-N 0 0 208.261 2.085 10 0 BEAERN CCn1cc(N)c(-c2cccc(F)c2)n1 ZINC000135742022 344874484 /nfs/dbraw/zinc/87/44/84/344874484.db2.gz ITUFAJMZKPVINW-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CC(=O)c1sc(N[C@H]2C[C@H]2C)cc1N ZINC000235302864 344879527 /nfs/dbraw/zinc/87/95/27/344879527.db2.gz KGDVKLWWTJQSFL-XRGYYRRGSA-N 0 0 210.302 2.353 10 0 BEAERN Cc1nn(-c2ccc(F)cc2F)cc1N ZINC000135750729 344879904 /nfs/dbraw/zinc/87/99/04/344879904.db2.gz JECJVHJGNGPNAX-UHFFFAOYSA-N 0 0 209.199 2.041 10 0 BEAERN CCOC(=O)c1nc(C2CCC2)ncc1C ZINC000300925137 537869049 /nfs/dbraw/zinc/86/90/49/537869049.db2.gz LTMFRKFYFQOHPP-UHFFFAOYSA-N 0 0 220.272 2.229 10 0 BEAERN C[C@@H]1C[NH2+]C[C@@H](c2csc(Cl)c2)O1 ZINC000235337535 344887297 /nfs/dbraw/zinc/88/72/97/344887297.db2.gz DNKSKKOOUVBFHE-SVRRBLITSA-N 0 0 217.721 2.451 10 0 BEAERN CC(C)c1nnc(CN2CC[C@H](C)[C@H]2C)n1C ZINC000177867034 534977226 /nfs/dbraw/zinc/97/72/26/534977226.db2.gz MEASPWXXJKNZON-WDEREUQCSA-N 0 0 236.363 2.169 10 0 BEAERN Cc1cnc(Cl)nc1S[C@H](C)[C@@H](C)O ZINC000235341896 344889987 /nfs/dbraw/zinc/88/99/87/344889987.db2.gz SRZLYYYAXBRBDN-RNFRBKRXSA-N 0 0 232.736 2.300 10 0 BEAERN CC(C)[C@@H](NN)c1ccc(F)c(F)c1 ZINC000166420962 344891551 /nfs/dbraw/zinc/89/15/51/344891551.db2.gz DDKAEDUGYJVJTD-SNVBAGLBSA-N 0 0 200.232 2.125 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C ZINC000235353776 344893389 /nfs/dbraw/zinc/89/33/89/344893389.db2.gz ABJFUDFLKDLFCX-NXEZZACHSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1C[C@@H](C)n2ncc(Br)c2N1 ZINC000235377679 344898237 /nfs/dbraw/zinc/89/82/37/344898237.db2.gz WQMHZJGUENTWJW-PHDIDXHHSA-N 0 0 230.109 2.411 10 0 BEAERN Cc1cc(-c2cnc(N)nc2)c(C)cc1C=O ZINC000675072787 537871564 /nfs/dbraw/zinc/87/15/64/537871564.db2.gz MDPBUSQRYWPLFA-UHFFFAOYSA-N 0 0 227.267 2.155 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)c1cnc2cc[nH]cc1-2 ZINC000166470660 344903206 /nfs/dbraw/zinc/90/32/06/344903206.db2.gz MSBYGZAXGMJOIS-YUMQZZPRSA-N 0 0 200.241 2.402 10 0 BEAERN Cc1c(Cc2ccccc2)nc[nH]c1=O ZINC000166466712 344903333 /nfs/dbraw/zinc/90/33/33/344903333.db2.gz OGGFVJRFOQZEKI-UHFFFAOYSA-N 0 0 200.241 2.081 10 0 BEAERN O=C1CCN([C@H]2CCCc3sccc32)C1 ZINC000061363658 344921892 /nfs/dbraw/zinc/92/18/92/344921892.db2.gz AEKCAMGWFMQTDZ-NSHDSACASA-N 0 0 221.325 2.400 10 0 BEAERN C[C@H](NN)c1cccc(Br)c1F ZINC000235509097 344927421 /nfs/dbraw/zinc/92/74/21/344927421.db2.gz JBOBQAIPJOHKBE-YFKPBYRVSA-N 0 0 233.084 2.113 10 0 BEAERN C[C@H](Nc1nsnc1Cl)C1CCOCC1 ZINC000235523949 344931713 /nfs/dbraw/zinc/93/17/13/344931713.db2.gz HATYKRANFRAIJT-LURJTMIESA-N 0 0 247.751 2.419 10 0 BEAERN C[C@H]1CC(C)(C)C[C@@]1([NH2+]C1CC1)C(=O)[O-] ZINC000235560368 344938308 /nfs/dbraw/zinc/93/83/08/344938308.db2.gz FFZODYAVFGXHOU-UFBFGSQYSA-N 0 0 211.305 2.018 10 0 BEAERN C[C@H](O)[C@H](O)c1cccc(Br)c1F ZINC000235558581 344938328 /nfs/dbraw/zinc/93/83/28/344938328.db2.gz RDRYCQHDILJTET-CDUCUWFYSA-N 0 0 249.079 2.002 10 0 BEAERN CC(=O)CCCCSc1cccc[n+]1[O-] ZINC000121709204 187295769 /nfs/dbraw/zinc/29/57/69/187295769.db2.gz XNRPYNBQCIMVQA-UHFFFAOYSA-N 0 0 225.313 2.171 10 0 BEAERN Cc1ccc(N[C@H]2CCC[C@H]2O)cc1F ZINC000037689937 178778120 /nfs/dbraw/zinc/77/81/20/178778120.db2.gz RWTNYDXOXCUQID-NWDGAFQWSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1ccc(N[C@](C)(C(N)=O)C(C)C)cc1 ZINC000037941582 178778697 /nfs/dbraw/zinc/77/86/97/178778697.db2.gz SCUCSVSSNLCMRQ-ZDUSSCGKSA-N 0 0 220.316 2.307 10 0 BEAERN CC(C)=CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124460324 187295883 /nfs/dbraw/zinc/29/58/83/187295883.db2.gz IPJHADOUKMIBIV-UHFFFAOYSA-N 0 0 247.342 2.092 10 0 BEAERN C[C@H](O)c1c[nH]c2ncc(Br)cc12 ZINC000235543247 344937208 /nfs/dbraw/zinc/93/72/08/344937208.db2.gz OLYZITGHJFZSFB-YFKPBYRVSA-N 0 0 241.088 2.379 10 0 BEAERN Cc1cc2[nH]ncc(=O)c2cc1Br ZINC000667366224 537875293 /nfs/dbraw/zinc/87/52/93/537875293.db2.gz BSLSQVLTGPFELR-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN Clc1nc(Cl)nc(NCC2CC2)n1 ZINC000061518143 344955637 /nfs/dbraw/zinc/95/56/37/344955637.db2.gz UPCFZXPSIOAFST-UHFFFAOYSA-N 0 0 219.075 2.000 10 0 BEAERN C[C@H]1OCC[C@H]1SCC1(O)CCCC1 ZINC000235639020 344961124 /nfs/dbraw/zinc/96/11/24/344961124.db2.gz VNGBCKSOBYFFKI-NXEZZACHSA-N 0 0 216.346 2.202 10 0 BEAERN C[C@H]1CC(CNc2ccncc2F)C[C@H](C)O1 ZINC000641551444 362496693 /nfs/dbraw/zinc/49/66/93/362496693.db2.gz HBHNFGFZICSZHF-UWVGGRQHSA-N 0 0 238.306 2.258 10 0 BEAERN C[C@H]1OCC[C@H]1S[C@H]1CCCC[C@@H]1O ZINC000235659836 344972640 /nfs/dbraw/zinc/97/26/40/344972640.db2.gz VDORXFQXKQKWLH-YTWAJWBKSA-N 0 0 216.346 2.201 10 0 BEAERN COc1cc2c(Br)n[nH]c2cc1F ZINC000166605724 344939299 /nfs/dbraw/zinc/93/92/99/344939299.db2.gz RMBNWDVECKEHKF-UHFFFAOYSA-N 0 0 245.051 2.473 10 0 BEAERN COc1cc(F)cc2c(Cl)[nH]nc21 ZINC000166610185 344940055 /nfs/dbraw/zinc/94/00/55/344940055.db2.gz RWWNUMNLKQHIAL-UHFFFAOYSA-N 0 0 200.600 2.364 10 0 BEAERN C[C@H]1CCNc2c(Br)cnn21 ZINC000235569560 344944709 /nfs/dbraw/zinc/94/47/09/344944709.db2.gz QFRYWLYLOPURCN-YFKPBYRVSA-N 0 0 216.082 2.022 10 0 BEAERN CSc1nc2ccccc2cc1CO ZINC000044198877 344945689 /nfs/dbraw/zinc/94/56/89/344945689.db2.gz PPHXPNMLSUPXMA-UHFFFAOYSA-N 0 0 205.282 2.449 10 0 BEAERN COC(=O)c1cccc(C(F)(F)F)c1O ZINC000044200192 344946292 /nfs/dbraw/zinc/94/62/92/344946292.db2.gz HVPVTYIUIGTKJM-UHFFFAOYSA-N 0 0 220.146 2.198 10 0 BEAERN COc1ccc(C)nc1NCC1=CCCOC1 ZINC000127993350 187297656 /nfs/dbraw/zinc/29/76/56/187297656.db2.gz RRQFGBBSDYUQPT-UHFFFAOYSA-N 0 0 234.299 2.157 10 0 BEAERN Clc1ccncc1NC[C@H]1CCOC1 ZINC000166626898 344947620 /nfs/dbraw/zinc/94/76/20/344947620.db2.gz LMKRBLICYLMGAD-MRVPVSSYSA-N 0 0 212.680 2.183 10 0 BEAERN CN(CC1CCC1)c1ccnc(Cl)n1 ZINC000061486835 344950011 /nfs/dbraw/zinc/95/00/11/344950011.db2.gz NTVQLKHQMHDVBJ-UHFFFAOYSA-N 0 0 211.696 2.366 10 0 BEAERN C[C@H]1C[C@H]1Nc1snc(N)c1C1CC1 ZINC000235596955 344951273 /nfs/dbraw/zinc/95/12/73/344951273.db2.gz JUCSGXZXNBMXOH-CAHLUQPWSA-N 0 0 209.318 2.423 10 0 BEAERN Cc1cc2[nH+]c(N)[nH]c2cc1Br ZINC000145009088 344983197 /nfs/dbraw/zinc/98/31/97/344983197.db2.gz WKHREOPKVCHIMR-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN [NH3+][C@@H](CCO)c1cc(Cl)c([O-])c(Cl)c1 ZINC000044234525 344987544 /nfs/dbraw/zinc/98/75/44/344987544.db2.gz LBMGRANYJCFECH-QMMMGPOBSA-N 0 0 236.098 2.081 10 0 BEAERN O=C1C[C@H](c2cccc(C(F)(F)F)c2)N1 ZINC000044257038 344995890 /nfs/dbraw/zinc/99/58/90/344995890.db2.gz MFQNCAJDZYYXJU-MRVPVSSYSA-N 0 0 215.174 2.266 10 0 BEAERN CC(=O)Nc1ccc(Cl)nc1Br ZINC000148239019 187299001 /nfs/dbraw/zinc/29/90/01/187299001.db2.gz NHVGLMBNSCXDPA-UHFFFAOYSA-N 0 0 249.495 2.456 10 0 BEAERN OCCCc1ccc(Br)s1 ZINC000044396171 345051303 /nfs/dbraw/zinc/05/13/03/345051303.db2.gz KCRUIYCKNXDIRE-UHFFFAOYSA-N 0 0 221.119 2.436 10 0 BEAERN Cc1ccc(OCCCCCCO)cn1 ZINC000131630814 178811409 /nfs/dbraw/zinc/81/14/09/178811409.db2.gz OBVGRXLOEQULRN-UHFFFAOYSA-N 0 0 209.289 2.322 10 0 BEAERN COc1ccc(I)c(C)n1 ZINC000238355437 345029327 /nfs/dbraw/zinc/02/93/27/345029327.db2.gz CSKMIEHDBKYHPR-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN COc1cc(OC(F)(F)F)cnc1C ZINC000238401975 345041661 /nfs/dbraw/zinc/04/16/61/345041661.db2.gz GWEGNXQWOPZVTE-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN O=Cc1ncc(Cl)cc1OC(F)(F)F ZINC000238530251 345068248 /nfs/dbraw/zinc/06/82/48/345068248.db2.gz RWFIHLWTYORRJN-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=Cc1cc(OC(F)F)ncc1Cl ZINC000238524873 345069867 /nfs/dbraw/zinc/06/98/67/345069867.db2.gz XQDZORJNNXUKKC-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN Cc1cc(Cl)cc([C@H]2CNC(=O)C2)c1 ZINC000238537333 345072926 /nfs/dbraw/zinc/07/29/26/345072926.db2.gz ATRPZNHQOKBTEG-SECBINFHSA-N 0 0 209.676 2.252 10 0 BEAERN Cc1cc(N[C@@H]2CCCC[C@H]2O)nc(Cl)n1 ZINC000052815086 187300324 /nfs/dbraw/zinc/30/03/24/187300324.db2.gz DPXFWWASAPSNOW-RKDXNWHRSA-N 0 0 241.722 2.154 10 0 BEAERN Nc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238589019 345083788 /nfs/dbraw/zinc/08/37/88/345083788.db2.gz ZDIGCWOSQSKEOJ-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Cc1ccnc(C=O)c1OC(F)(F)F ZINC000238468054 345055683 /nfs/dbraw/zinc/05/56/83/345055683.db2.gz LJTQYUWFMODDJQ-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN CCC1CCC(NC(=O)[C@@H](C)COC)CC1 ZINC000103372956 168518879 /nfs/dbraw/zinc/51/88/79/168518879.db2.gz FYFWWFRUOLSAFG-UNXYVOJBSA-N 0 0 227.348 2.354 10 0 BEAERN c1ccc([C@H]2C[C@H]2Nc2cnccn2)cc1 ZINC000044416587 345059584 /nfs/dbraw/zinc/05/95/84/345059584.db2.gz RNOSOYOBMFQDEG-VXGBXAGGSA-N 0 0 211.268 2.445 10 0 BEAERN Cc1ccc(S(=O)(=O)C(F)F)cc1C ZINC000041233747 178822498 /nfs/dbraw/zinc/82/24/98/178822498.db2.gz HEUMQBXOMYVQDS-UHFFFAOYSA-N 0 0 220.240 2.300 10 0 BEAERN Cc1cc(OC(F)(F)F)cnc1C=O ZINC000238495249 345060370 /nfs/dbraw/zinc/06/03/70/345060370.db2.gz SXSPBBVQFPIUBN-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(CCNC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000155129811 345068095 /nfs/dbraw/zinc/06/80/95/345068095.db2.gz VNLZAZWXAPWQEM-TZMCWYRMSA-N 0 0 247.338 2.221 10 0 BEAERN OCc1c(Cl)cncc1OC(F)(F)F ZINC000238706403 345116611 /nfs/dbraw/zinc/11/66/11/345116611.db2.gz YVKTWQGQFIJACU-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cncc(OC(F)(F)F)c1Cl ZINC000238729476 345120202 /nfs/dbraw/zinc/12/02/02/345120202.db2.gz WSAYTJNVYCKNNE-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238724574 345120750 /nfs/dbraw/zinc/12/07/50/345120750.db2.gz AVIZDKVJFLBMOC-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1ccc(Cl)nc1OC(F)(F)F ZINC000238726201 345120835 /nfs/dbraw/zinc/12/08/35/345120835.db2.gz PLCBFBRNNCMZJC-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238725978 345120853 /nfs/dbraw/zinc/12/08/53/345120853.db2.gz ATHLMWMHGSUSEK-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Nc1cc(C(F)(F)F)ncc1Br ZINC000238618185 345095221 /nfs/dbraw/zinc/09/52/21/345095221.db2.gz CSDBXUFKWXVFHG-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN NC(=O)c1cnc(Cl)c2ccsc21 ZINC000238636985 345098256 /nfs/dbraw/zinc/09/82/56/345098256.db2.gz ATSVIWBDZFVRNQ-UHFFFAOYSA-N 0 0 212.661 2.049 10 0 BEAERN CCC1CCC(NC(=O)c2cn(C)nc2C)CC1 ZINC000113023218 168520179 /nfs/dbraw/zinc/52/01/79/168520179.db2.gz CXBKKRRFESVEDW-UHFFFAOYSA-N 0 0 249.358 2.427 10 0 BEAERN Clc1nnc(CCc2ccncc2)s1 ZINC000136046270 345235932 /nfs/dbraw/zinc/23/59/32/345235932.db2.gz IEYARCOJLOPSRP-UHFFFAOYSA-N 0 0 225.704 2.372 10 0 BEAERN CN(C)c1nc(Cl)nc2cscc21 ZINC000148088196 345239123 /nfs/dbraw/zinc/23/91/23/345239123.db2.gz HUQJQCTUZVXFMX-UHFFFAOYSA-N 0 0 213.693 2.411 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)o1 ZINC000072753911 178837757 /nfs/dbraw/zinc/83/77/57/178837757.db2.gz QQXCSHHJCQOFFM-SECBINFHSA-N 0 0 218.256 2.407 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)N(C)C2CC2)o1 ZINC000114915103 178835483 /nfs/dbraw/zinc/83/54/83/178835483.db2.gz OYZMIYBIYKWUIL-SECBINFHSA-N 0 0 222.288 2.453 10 0 BEAERN CC1=[N+]([O-])[C@H](c2ccccc2)N(O)C1(C)C ZINC000148111103 345257904 /nfs/dbraw/zinc/25/79/04/345257904.db2.gz MVOBMFOYLOQPKS-NSHDSACASA-N 0 0 221.280 2.031 10 0 BEAERN CCc1c(C)nc(Cl)c(C#N)c1C#N ZINC000139900472 345259404 /nfs/dbraw/zinc/25/94/04/345259404.db2.gz XPIXOSITNPYULQ-UHFFFAOYSA-N 0 0 205.648 2.349 10 0 BEAERN C[C@H]1CC[C@@H](NC2N=NC(=S)S2)C1 ZINC000129713738 345261095 /nfs/dbraw/zinc/26/10/95/345261095.db2.gz DWOAVKNKLRKXMO-NTSWFWBYSA-N 0 0 215.347 2.427 10 0 BEAERN CC(C)(C)OC(=O)C=C(N)c1ccccc1 ZINC000101488866 187301630 /nfs/dbraw/zinc/30/16/30/187301630.db2.gz XBXBHCHTZDLWGE-PKNBQFBNSA-N 0 0 219.284 2.328 10 0 BEAERN C[C@H]1OCC[C@@H]1N(C)c1ccnc(Cl)c1 ZINC000227688470 345264343 /nfs/dbraw/zinc/26/43/43/345264343.db2.gz HOQMLKQNNKAAGO-SCZZXKLOSA-N 0 0 226.707 2.349 10 0 BEAERN CC1(C)CC[C@@H](O)[C@@H](OCC(F)F)C1 ZINC000130770232 345282282 /nfs/dbraw/zinc/28/22/82/345282282.db2.gz CAVZYZZWDKBJLS-SFYZADRCSA-N 0 0 208.248 2.208 10 0 BEAERN O[C@H]1CCCCCC[C@H]1OCC(F)F ZINC000130746010 345282695 /nfs/dbraw/zinc/28/26/95/345282695.db2.gz XVNWRSNNXCTGRA-DTWKUNHWSA-N 0 0 208.248 2.352 10 0 BEAERN CCc1ccsc1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000131803516 345309377 /nfs/dbraw/zinc/30/93/77/345309377.db2.gz CBUQIPSRORVQEA-IUCAKERBSA-N 0 0 241.356 2.057 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1cccc(N)c1 ZINC000221441528 345366561 /nfs/dbraw/zinc/36/65/61/345366561.db2.gz JULPWDWZRYDOHC-LLVKDONJSA-N 0 0 220.272 2.172 10 0 BEAERN CC1(C)[C@H](Nc2ccccn2)[C@H]2CCO[C@@H]21 ZINC000301382564 187302689 /nfs/dbraw/zinc/30/26/89/187302689.db2.gz ZISIKFNTFAFALA-JLLWLGSASA-N 0 0 218.300 2.307 10 0 BEAERN Cn1nccc1CC[C@H]1CCCC(=O)C1 ZINC000230902368 349927052 /nfs/dbraw/zinc/92/70/52/349927052.db2.gz RXJUQZKEYXXJOW-SNVBAGLBSA-N 0 0 206.289 2.112 10 0 BEAERN Cc1ccc([C@@H]2CN(CC3CC3)CCO2)o1 ZINC000159084753 345408590 /nfs/dbraw/zinc/40/85/90/345408590.db2.gz NGCGYTYSWGOURK-ZDUSSCGKSA-N 0 0 221.300 2.371 10 0 BEAERN O=C(Cc1ccccc1)Nc1ccc(Cl)nn1 ZINC000134583699 345416029 /nfs/dbraw/zinc/41/60/29/345416029.db2.gz NOPXWABNQUETOC-UHFFFAOYSA-N 0 0 247.685 2.311 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@@H]1CCO[C@H]1C ZINC000134593881 345416997 /nfs/dbraw/zinc/41/69/97/345416997.db2.gz PRVIIUHHIKYRLU-JGVFFNPUSA-N 0 0 229.711 2.405 10 0 BEAERN CCc1nc2c(c(Cl)n1)CSC2 ZINC000134644167 345417645 /nfs/dbraw/zinc/41/76/45/345417645.db2.gz YEAIEMPLDHJQQA-UHFFFAOYSA-N 0 0 200.694 2.439 10 0 BEAERN C[C@H]1Cc2c(c(F)c(F)cc2F)[C@H]1O ZINC000235693614 345442119 /nfs/dbraw/zinc/44/21/19/345442119.db2.gz YNZALJAEJDYPFP-MFXDVPHUSA-N 0 0 202.175 2.330 10 0 BEAERN C[C@H]1Cc2c(c(F)c(F)cc2F)[C@@H]1O ZINC000235693496 345442266 /nfs/dbraw/zinc/44/22/66/345442266.db2.gz YNZALJAEJDYPFP-ZXPFJRLXSA-N 0 0 202.175 2.330 10 0 BEAERN COCC(=O)c1cc(F)c(Cl)cc1F ZINC000229182645 345444174 /nfs/dbraw/zinc/44/41/74/345444174.db2.gz OBDYLUBCQOUQMA-UHFFFAOYSA-N 0 0 220.602 2.447 10 0 BEAERN CC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000171799862 187304529 /nfs/dbraw/zinc/30/45/29/187304529.db2.gz RYJGRHZDPTUSGA-UHFFFAOYSA-N 0 0 237.303 2.098 10 0 BEAERN Cc1ccc(OCC(=O)N[C@H]2C[C@@H]2C)cc1C ZINC000171068474 187304797 /nfs/dbraw/zinc/30/47/97/187304797.db2.gz AZLLEYMHNQKYMP-AAEUAGOBSA-N 0 0 233.311 2.207 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)C1CC(C)C1 ZINC000084743941 345522674 /nfs/dbraw/zinc/52/26/74/345522674.db2.gz HMIQTSBCJNWXTK-UHFFFAOYSA-N 0 0 207.277 2.011 10 0 BEAERN C[C@H](CNc1ncccn1)Nc1ccccc1 ZINC000084927990 345529654 /nfs/dbraw/zinc/52/96/54/345529654.db2.gz WAENBXJCLVMYLY-LLVKDONJSA-N 0 0 228.299 2.389 10 0 BEAERN CCOC(=O)CC[C@H](C)Nc1ccccn1 ZINC000089656774 345558101 /nfs/dbraw/zinc/55/81/01/345558101.db2.gz SGZVTFWVKJPUGK-JTQLQIEISA-N 0 0 222.288 2.225 10 0 BEAERN C[C@H](Nc1nnc(C(F)F)s1)[C@H]1CCCO1 ZINC000091427260 345592035 /nfs/dbraw/zinc/59/20/35/345592035.db2.gz ZOPKEJSKDPFAAU-NTSWFWBYSA-N 0 0 249.286 2.455 10 0 BEAERN C[C@H](Nc1nnc(C2CC2)s1)[C@H]1CCCO1 ZINC000091426647 345592501 /nfs/dbraw/zinc/59/25/01/345592501.db2.gz JGQPTQZMCHMFEU-IONNQARKSA-N 0 0 239.344 2.395 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000091679486 345603258 /nfs/dbraw/zinc/60/32/58/345603258.db2.gz DIKBCBHNWIGUOF-APPZFPTMSA-N 0 0 244.241 2.272 10 0 BEAERN Oc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000213658875 345624785 /nfs/dbraw/zinc/62/47/85/345624785.db2.gz ZLOGWWRCBCFNRF-VXGBXAGGSA-N 0 0 207.273 2.108 10 0 BEAERN CCC1OC[C@H]2[C@H](CO1)C2(Cl)Cl ZINC000039101521 168531752 /nfs/dbraw/zinc/53/17/52/168531752.db2.gz JLLGDVMOCWJHID-WDSKDSINSA-N 0 0 211.088 2.189 10 0 BEAERN N[C@H]1CNc2ccc(Cl)cc2C1(F)F ZINC000137477258 345638663 /nfs/dbraw/zinc/63/86/63/345638663.db2.gz RVGXPJKIVKHUSN-QMMMGPOBSA-N 0 0 218.634 2.185 10 0 BEAERN C[C@@H](C[C@H](O)c1cn[nH]c1)CC(F)(F)F ZINC000402842988 537899319 /nfs/dbraw/zinc/89/93/19/537899319.db2.gz ZXHCBASNTSEGIK-XPUUQOCRSA-N 0 0 222.210 2.422 10 0 BEAERN CCCC(=O)Cc1nc([C@@H](C)CC)no1 ZINC000082563036 168533020 /nfs/dbraw/zinc/53/30/20/168533020.db2.gz JBYPDRKQUVMUJK-QMMMGPOBSA-N 0 0 210.277 2.495 10 0 BEAERN CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000115876296 537904459 /nfs/dbraw/zinc/90/44/59/537904459.db2.gz MJGWLGNBRPVODR-ONGXEEELSA-N 0 0 241.331 2.469 10 0 BEAERN CC(C)(C)Sc1ccc(-c2nn[nH]n2)nc1 ZINC000095139841 345682184 /nfs/dbraw/zinc/68/21/84/345682184.db2.gz PEZZCKJKDGLRTI-UHFFFAOYSA-N 0 0 235.316 2.152 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)C(C)(C)Br)C1 ZINC000128624658 349937374 /nfs/dbraw/zinc/93/73/74/349937374.db2.gz DLZDCXSPFKZECF-YUMQZZPRSA-N 0 0 248.164 2.465 10 0 BEAERN COC(=O)c1cc(OC)c(C)cc1Cl ZINC000261096457 345739124 /nfs/dbraw/zinc/73/91/24/345739124.db2.gz WZHTWVAPTPUVDI-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CC1(C)CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000113694549 345754103 /nfs/dbraw/zinc/75/41/03/345754103.db2.gz YBTCXRFMHZRSQG-UHFFFAOYSA-N 0 0 232.327 2.412 10 0 BEAERN COC(=O)c1cc(OC)c(Cl)cc1OC ZINC000082724332 345706542 /nfs/dbraw/zinc/70/65/42/345706542.db2.gz YTYWATXPBUQALK-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN CCCC(=O)N(CC)CCc1nccs1 ZINC000131131502 168534317 /nfs/dbraw/zinc/53/43/17/168534317.db2.gz UKDXTUJCUDXICY-UHFFFAOYSA-N 0 0 226.345 2.334 10 0 BEAERN N#CNCc1ccccc1C(F)(F)F ZINC000061626643 345713347 /nfs/dbraw/zinc/71/33/47/345713347.db2.gz GZZNBJOWHPYBAH-UHFFFAOYSA-N 0 0 200.163 2.276 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1NCCc2ccsc21 ZINC000146191054 345757536 /nfs/dbraw/zinc/75/75/36/345757536.db2.gz UPENOLIONVAAPV-VIFPVBQESA-N 0 0 239.340 2.277 10 0 BEAERN O[C@@H](CCl)c1ccc(Br)cn1 ZINC000206856843 345757904 /nfs/dbraw/zinc/75/79/04/345757904.db2.gz IADGJAPABGJTMZ-ZETCQYMHSA-N 0 0 236.496 2.116 10 0 BEAERN N#C[C@H](O)CCc1ccc(Br)cc1 ZINC000140122849 345806209 /nfs/dbraw/zinc/80/62/09/345806209.db2.gz RBGNRJQUXQNRBX-SNVBAGLBSA-N 0 0 240.100 2.266 10 0 BEAERN CCCc1cc(CCC)c(O)c(C(N)=O)c1 ZINC000033648572 345806789 /nfs/dbraw/zinc/80/67/89/345806789.db2.gz ZAPRGMHJWBOSQR-UHFFFAOYSA-N 0 0 221.300 2.396 10 0 BEAERN CCOP(=O)(CC(=O)C(F)(F)F)OCC ZINC000136160987 345807717 /nfs/dbraw/zinc/80/77/17/345807717.db2.gz LTUZKKYWACXAOK-UHFFFAOYSA-N 0 0 248.137 2.384 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccc(Cl)o1 ZINC000235728088 345807983 /nfs/dbraw/zinc/80/79/83/345807983.db2.gz QRFAKAQHSHZHHS-UHFFFAOYSA-N 0 0 211.652 2.224 10 0 BEAERN C=COC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000168050086 345808811 /nfs/dbraw/zinc/80/88/11/345808811.db2.gz YYVYIZCOMYPCSY-GQCTYLIASA-N 0 0 218.208 2.115 10 0 BEAERN CC(=O)[C@H](Cc1ccccc1)n1ccnc1 ZINC000034116701 345817191 /nfs/dbraw/zinc/81/71/91/345817191.db2.gz NZEZRHVNSMOLDU-ZDUSSCGKSA-N 0 0 214.268 2.256 10 0 BEAERN CCOC(=O)[C@@H]1CCc2ccccc2N1C ZINC000034135284 345817859 /nfs/dbraw/zinc/81/78/59/345817859.db2.gz LEHOBOBILRSUGZ-LBPRGKRZSA-N 0 0 219.284 2.001 10 0 BEAERN COC1=C(OC)C(=O)c2cc(C)c(C)cc2C1=O ZINC000034119948 345817895 /nfs/dbraw/zinc/81/78/95/345817895.db2.gz LXNGAPTTZJQGRQ-UHFFFAOYSA-N 0 0 246.262 2.187 10 0 BEAERN COc1ccc2[nH]c3c(c2c1)c(=O)[nH]cc3C ZINC000034193637 345818918 /nfs/dbraw/zinc/81/89/18/345818918.db2.gz KRBWGKJYYJUUTQ-UHFFFAOYSA-N 0 0 228.251 2.326 10 0 BEAERN CCCCOC[C@H](CO)OCc1ccccc1 ZINC000034218291 345819481 /nfs/dbraw/zinc/81/94/81/345819481.db2.gz KWKQOILROHOQKS-AWEZNQCLSA-N 0 0 238.327 2.381 10 0 BEAERN OC[C@@H]1CCn2c(cc3ccccc32)C1 ZINC000034216873 345819735 /nfs/dbraw/zinc/81/97/35/345819735.db2.gz FTNSMTLJHGYOIV-SNVBAGLBSA-N 0 0 201.269 2.196 10 0 BEAERN COc1ccc(Cc2cc(O)ccc2OC)cn1 ZINC000034275328 345820160 /nfs/dbraw/zinc/82/01/60/345820160.db2.gz ZWZLKEILMBBSCY-UHFFFAOYSA-N 0 0 245.278 2.395 10 0 BEAERN O=C(Cc1cccs1)[C@@H]1CCCCO1 ZINC000050964058 345765996 /nfs/dbraw/zinc/76/59/96/345765996.db2.gz KLTNUGDFXCVERA-NSHDSACASA-N 0 0 210.298 2.429 10 0 BEAERN O=C(Cc1ccsc1)[C@@H]1CCCCO1 ZINC000050964036 345765999 /nfs/dbraw/zinc/76/59/99/345765999.db2.gz IFEXIWZBCCRIBN-NSHDSACASA-N 0 0 210.298 2.429 10 0 BEAERN Cc1nnc(CN(C)CCC2CC2)n1C1CC1 ZINC000135285382 345770103 /nfs/dbraw/zinc/77/01/03/345770103.db2.gz WRMUMOOUWSJJEE-UHFFFAOYSA-N 0 0 234.347 2.153 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N1CCC(=O)Nc2ccccc21 ZINC000118618664 345770739 /nfs/dbraw/zinc/77/07/39/345770739.db2.gz DFDGQADQNRHGNB-ZJUUUORDSA-N 0 0 244.294 2.018 10 0 BEAERN C[C@H]1C[N@H+](C)CCCN1c1nc(Cl)cs1 ZINC000235702068 345782777 /nfs/dbraw/zinc/78/27/77/345782777.db2.gz OWZRPCLGLGFLIX-QMMMGPOBSA-N 0 0 245.779 2.327 10 0 BEAERN C[C@](F)(C[NH3+])Cc1c(F)cccc1F ZINC000166780363 345786857 /nfs/dbraw/zinc/78/68/57/345786857.db2.gz RWRMHHYSAMVMDD-SNVBAGLBSA-N 0 0 203.207 2.194 10 0 BEAERN Nc1ccc(C(=O)N2CCCC2)cc1Cl ZINC000070602100 345790539 /nfs/dbraw/zinc/79/05/39/345790539.db2.gz DCSODXNIMLJEGQ-UHFFFAOYSA-N 0 0 224.691 2.158 10 0 BEAERN Cc1csc(N[C@@H]2CCO[C@@H](C)C2)n1 ZINC000235713016 345792341 /nfs/dbraw/zinc/79/23/41/345792341.db2.gz QUJQREIDIAIFBS-DTWKUNHWSA-N 0 0 212.318 2.431 10 0 BEAERN COC(=O)[C@@H](N)Cc1c(Cl)cccc1Cl ZINC000070651416 345794964 /nfs/dbraw/zinc/79/49/64/345794964.db2.gz LNAADEXHHFBIMR-VIFPVBQESA-N 0 0 248.109 2.036 10 0 BEAERN COC(=O)c1ccc(NC(=O)c2ccccc2)[nH]1 ZINC000139729381 345801441 /nfs/dbraw/zinc/80/14/41/345801441.db2.gz LNZZFELTLJRIDS-UHFFFAOYSA-N 0 0 244.250 2.054 10 0 BEAERN Cc1ccc(C)c(CC(=O)C(C)(C)O)c1 ZINC000235758518 345843828 /nfs/dbraw/zinc/84/38/28/345843828.db2.gz WRFLHZBFOYYYGQ-UHFFFAOYSA-N 0 0 206.285 2.186 10 0 BEAERN C[C@]1(Nc2cc(Cl)ncn2)CCCOC1 ZINC000235754499 345843869 /nfs/dbraw/zinc/84/38/69/345843869.db2.gz GZLUSFGMMCADTB-JTQLQIEISA-N 0 0 227.695 2.111 10 0 BEAERN Nc1ccccc1CCc1cccnc1N ZINC000142645430 345863912 /nfs/dbraw/zinc/86/39/12/345863912.db2.gz OVWUCXCAZSTFSG-UHFFFAOYSA-N 0 0 213.284 2.031 10 0 BEAERN CCOC(=O)c1[nH]c2ccc(N)cc2c1C ZINC000215593231 345848369 /nfs/dbraw/zinc/84/83/69/345848369.db2.gz PPLPTNVCVSBQBM-UHFFFAOYSA-N 0 0 218.256 2.235 10 0 BEAERN COP(=O)(OC)c1nccc2ccccc21 ZINC000140413121 345854342 /nfs/dbraw/zinc/85/43/42/345854342.db2.gz VHOOTHZQQTUEPW-UHFFFAOYSA-N 0 0 237.195 2.346 10 0 BEAERN Cc1ccc([C@]23CCC(=O)N2CCCO3)c(C)c1 ZINC000003621891 178927130 /nfs/dbraw/zinc/92/71/30/178927130.db2.gz XSFAMKAWDRDGMU-OAHLLOKOSA-N 0 0 245.322 2.499 10 0 BEAERN NC(=O)CSCc1ccccc1-n1cccc1 ZINC000219706017 345859273 /nfs/dbraw/zinc/85/92/73/345859273.db2.gz ZLWHSVUKMIEWPA-UHFFFAOYSA-N 0 0 246.335 2.196 10 0 BEAERN OCc1ccnc(Nc2ccc(Cl)cc2)n1 ZINC000219586606 345859364 /nfs/dbraw/zinc/85/93/64/345859364.db2.gz NNGWWPDKXJLQCY-UHFFFAOYSA-N 0 0 235.674 2.366 10 0 BEAERN C=C(OCC)c1ncccc1C(=O)OCC ZINC000219705486 345859422 /nfs/dbraw/zinc/85/94/22/345859422.db2.gz RREQHBYKGNIMIT-UHFFFAOYSA-N 0 0 221.256 2.266 10 0 BEAERN C[C@H](O)c1cc(-c2cncnc2)c(F)cc1F ZINC000219745077 345860069 /nfs/dbraw/zinc/86/00/69/345860069.db2.gz IZAZDUDYPKZDOM-ZETCQYMHSA-N 0 0 236.221 2.475 10 0 BEAERN COc1cccc2c1[C@@H]1CCC(=O)N[C@H]1CC2 ZINC000034403614 345826780 /nfs/dbraw/zinc/82/67/80/345826780.db2.gz FAWBCRAHYYWFIM-MNOVXSKESA-N 0 0 231.295 2.004 10 0 BEAERN COc1cccc2c1[C@@H]1CCC(=O)N[C@@H]1CC2 ZINC000034403612 345826985 /nfs/dbraw/zinc/82/69/85/345826985.db2.gz FAWBCRAHYYWFIM-GHMZBOCLSA-N 0 0 231.295 2.004 10 0 BEAERN Cc1cc(O[C@@H]2CCCCO2)cc(O)c1C=O ZINC000034506755 345829934 /nfs/dbraw/zinc/82/99/34/345829934.db2.gz QMVFMMLKLLRERJ-CYBMUJFWSA-N 0 0 236.267 2.419 10 0 BEAERN COc1ccc([C@@H]2CO[C@@H](OC)C2)cc1 ZINC000034535186 345830763 /nfs/dbraw/zinc/83/07/63/345830763.db2.gz MJVCJSQDNJHGFL-CMPLNLGQSA-N 0 0 208.257 2.172 10 0 BEAERN O=C1NC[C@H]2c3ccccc3Cc3cccc1c32 ZINC000034542884 345831535 /nfs/dbraw/zinc/83/15/35/345831535.db2.gz UBKSESMRWIQZNZ-AWEZNQCLSA-N 0 0 235.286 2.466 10 0 BEAERN CC[N@H+]1CC=C(c2c[nH]c3ccc(N)nc32)CC1 ZINC000034564806 345832154 /nfs/dbraw/zinc/83/21/54/345832154.db2.gz ANJMITTWHAIIIU-UHFFFAOYSA-N 0 0 242.326 2.254 10 0 BEAERN Oc1ccc(CC[C@H](O)c2ccccn2)c(O)c1 ZINC000137128844 345837973 /nfs/dbraw/zinc/83/79/73/345837973.db2.gz GWAXIWCEVQESSU-ZDUSSCGKSA-N 0 0 245.278 2.159 10 0 BEAERN CCn1cc(C[C@@]2(C)CCC(=O)C2)cn1 ZINC000166879352 345926600 /nfs/dbraw/zinc/92/66/00/345926600.db2.gz VJYNTFOHXADHNE-GFCCVEGCSA-N 0 0 206.289 2.205 10 0 BEAERN CC(C)(C)c1ccc(-n2cc(C=O)nn2)cc1 ZINC000084930096 345928080 /nfs/dbraw/zinc/92/80/80/345928080.db2.gz FGSALXFCGWFWAT-UHFFFAOYSA-N 0 0 229.283 2.377 10 0 BEAERN O=C(NC1Cc2ccccc2C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300452134 345898464 /nfs/dbraw/zinc/89/84/64/345898464.db2.gz WNVGSGGPVCRTLN-BTTYYORXSA-N 0 0 241.334 2.316 10 0 BEAERN Cc1cnccc1C1N=NC(=S)S1 ZINC000235793915 345904774 /nfs/dbraw/zinc/90/47/74/345904774.db2.gz VUYYVMNAESEFTJ-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CCOC(=O)c1ccccc1OCCCOC ZINC000145117795 345929927 /nfs/dbraw/zinc/92/99/27/345929927.db2.gz MJCSAPMOGFVABP-UHFFFAOYSA-N 0 0 238.283 2.279 10 0 BEAERN CC(C)[C@@H](NN)c1ccc(F)cc1F ZINC000166862718 345915092 /nfs/dbraw/zinc/91/50/92/345915092.db2.gz VXAYYULUCFPPOF-SNVBAGLBSA-N 0 0 200.232 2.125 10 0 BEAERN Cc1nccn1-c1c(F)cccc1C=O ZINC000235803484 345915603 /nfs/dbraw/zinc/91/56/03/345915603.db2.gz UOESFLSCQJSIRG-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN CC(C)(C)OC(=O)N1CCC(/C=C/CO)CC1 ZINC000144347165 345920115 /nfs/dbraw/zinc/92/01/15/345920115.db2.gz RSTQQYLKMXGLJQ-SNAWJCMRSA-N 0 0 241.331 2.182 10 0 BEAERN O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]21 ZINC000145565990 345938987 /nfs/dbraw/zinc/93/89/87/345938987.db2.gz PTJMSNXGHGOXPN-NWDGAFQWSA-N 0 0 217.268 2.417 10 0 BEAERN CCOc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1 ZINC000088832246 345945101 /nfs/dbraw/zinc/94/51/01/345945101.db2.gz GXCGJSWAAZNCPS-UHFFFAOYSA-N 0 0 248.307 2.498 10 0 BEAERN CC1OC(=S)N=C1c1ccc(F)cn1 ZINC000235850570 345947545 /nfs/dbraw/zinc/94/75/45/345947545.db2.gz WEEAPAUZFULIDT-UHFFFAOYSA-N 0 0 210.233 2.473 10 0 BEAERN Cc1occc1Sc1cnc(N)cn1 ZINC000235866132 345950603 /nfs/dbraw/zinc/95/06/03/345950603.db2.gz ZCOXQKUTXDDHEB-UHFFFAOYSA-N 0 0 207.258 2.111 10 0 BEAERN O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CC=CCN1 ZINC000628220665 345951858 /nfs/dbraw/zinc/95/18/58/345951858.db2.gz FRPJLKMKESATGP-BFHYXJOUSA-N 0 0 248.370 2.496 10 0 BEAERN CCOC(=O)[C@H]1CCc2ccc(OC)cc2C1 ZINC000146453379 345969661 /nfs/dbraw/zinc/96/96/61/345969661.db2.gz URRCBLGXCFTNSR-NSHDSACASA-N 0 0 234.295 2.363 10 0 BEAERN CC(C)C(=O)Nc1ccc(N[C@@H]2CCOC2)cc1 ZINC000104055036 187362194 /nfs/dbraw/zinc/36/21/94/187362194.db2.gz IWPHICJKZFXRDT-CYBMUJFWSA-N 0 0 248.326 2.482 10 0 BEAERN CCc1nc(CSCc2cc(C)on2)no1 ZINC000101584690 345985144 /nfs/dbraw/zinc/98/51/44/345985144.db2.gz RYRACJLWFQRMMH-UHFFFAOYSA-N 0 0 239.300 2.362 10 0 BEAERN CC(=O)CC(=O)N[C@H](C)CCCC(C)C ZINC000019412438 187314025 /nfs/dbraw/zinc/31/40/25/187314025.db2.gz NDNAOPZTFRALSE-SNVBAGLBSA-N 0 0 213.321 2.297 10 0 BEAERN Cc1ccc2cccc(OCC(N)=S)c2n1 ZINC000037429391 178971750 /nfs/dbraw/zinc/97/17/50/178971750.db2.gz NEJUNSOAVUKIED-UHFFFAOYSA-N 0 0 232.308 2.208 10 0 BEAERN Cc1ccc2cnn(CCC(N)=S)c2c1 ZINC000045921625 178972520 /nfs/dbraw/zinc/97/25/20/178972520.db2.gz RVWJHFORZAGPJK-UHFFFAOYSA-N 0 0 219.313 2.021 10 0 BEAERN COC(=O)C1(C[C@@H]2CO2)C[C@@H](C)C[C@H](C)C1 ZINC000669371826 537948830 /nfs/dbraw/zinc/94/88/30/537948830.db2.gz ASEQTDBXIWOYQX-GARJFASQSA-N 0 0 226.316 2.391 10 0 BEAERN Fc1c[nH]c2c1nccc2Br ZINC000096320861 346112166 /nfs/dbraw/zinc/11/21/66/346112166.db2.gz NKEBKOAKOALDKC-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Fc1c[nH]c2ccc(Br)nc12 ZINC000096320853 346112203 /nfs/dbraw/zinc/11/22/03/346112203.db2.gz PZTUZBGNZVUHSY-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Fc1c[nH]c2c1ccnc2Br ZINC000096320886 346112271 /nfs/dbraw/zinc/11/22/71/346112271.db2.gz BPLXPKMGZMMREQ-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Nc1cc2sc(Br)nc2c(O)c1 ZINC000096320679 346112380 /nfs/dbraw/zinc/11/23/80/346112380.db2.gz RZCPMAOQURFVBM-UHFFFAOYSA-N 0 0 245.101 2.347 10 0 BEAERN CCOC(=O)c1c(C)nn2ccc(Cl)cc12 ZINC000096320966 346112961 /nfs/dbraw/zinc/11/29/61/346112961.db2.gz PZYHFIXREVVNCZ-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN CCOC(=O)c1c(C)nn2cc(C)ccc12 ZINC000096321221 346113004 /nfs/dbraw/zinc/11/30/04/346113004.db2.gz GITVPBHMVIQPAU-UHFFFAOYSA-N 0 0 218.256 2.128 10 0 BEAERN COC(=O)C1(C[C@@H]2CO2)CCC(C)CC1 ZINC000669371830 537948299 /nfs/dbraw/zinc/94/82/99/537948299.db2.gz ATDYHEAZQLSOMM-SQLBVSGCSA-N 0 0 212.289 2.145 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CCC[C@H](C)C1 ZINC000669372164 537949273 /nfs/dbraw/zinc/94/92/73/537949273.db2.gz KFHWVECTMTXCTD-HOSYDEDBSA-N 0 0 212.289 2.145 10 0 BEAERN CCc1ccc([C@H](CC)S(=O)(=O)NC)cc1 ZINC000669375408 537954111 /nfs/dbraw/zinc/95/41/11/537954111.db2.gz JHYRWWZVELELDR-LBPRGKRZSA-N 0 0 241.356 2.249 10 0 BEAERN CNS(=O)(=O)[C@H](C)c1ccc(C(C)C)cc1 ZINC000669375594 537954223 /nfs/dbraw/zinc/95/42/23/537954223.db2.gz NZAUQHDKILRODM-SNVBAGLBSA-N 0 0 241.356 2.420 10 0 BEAERN O=C(c1csc2c1CCCC2)N1CC=CCN1 ZINC000628226345 346172680 /nfs/dbraw/zinc/17/26/80/346172680.db2.gz JZCGPAWQOYJMST-UHFFFAOYSA-N 0 0 248.351 2.144 10 0 BEAERN CCC[C@H]1CCC[C@H](S(=O)(=O)NC)CC1 ZINC000669375604 537954681 /nfs/dbraw/zinc/95/46/81/537954681.db2.gz OMDGZYPVLSIHNU-QWRGUYRKSA-N 0 0 233.377 2.285 10 0 BEAERN Cc1cnc(I)cc1C ZINC000034002589 346175608 /nfs/dbraw/zinc/17/56/08/346175608.db2.gz OVMLPUHWPDMDRL-UHFFFAOYSA-N 0 0 233.052 2.303 10 0 BEAERN CCCC[C@H](CC)C(=O)N1CC=CCN1 ZINC000628225600 346177275 /nfs/dbraw/zinc/17/72/75/346177275.db2.gz GPSSNJWGSRPKCP-NSHDSACASA-N 0 0 210.321 2.106 10 0 BEAERN CCN(C)c1ncc(N)c(C)c1Br ZINC000167006608 346179001 /nfs/dbraw/zinc/17/90/01/346179001.db2.gz PEMLMDACAIZZBQ-UHFFFAOYSA-N 0 0 244.136 2.191 10 0 BEAERN C[C@H]1C[C@H]1CNc1nsnc1Cl ZINC000167231242 346214785 /nfs/dbraw/zinc/21/47/85/346214785.db2.gz PVEBVXUMKOLEFK-WHFBIAKZSA-N 0 0 203.698 2.259 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000669375486 537956464 /nfs/dbraw/zinc/95/64/64/537956464.db2.gz LNFGCJSWBRGMIP-WDEREUQCSA-N 0 0 233.377 2.141 10 0 BEAERN Fc1cccc(SC2CCOCC2)n1 ZINC000062054796 346194482 /nfs/dbraw/zinc/19/44/82/346194482.db2.gz QWCDMQLSVYJZQR-UHFFFAOYSA-N 0 0 213.277 2.492 10 0 BEAERN O=c1nc2ccc(Cl)c(Cl)c2c[nH]1 ZINC000238533568 323109117 /nfs/dbraw/zinc/10/91/17/323109117.db2.gz OXLCJCBYCLWUFO-UHFFFAOYSA-N 0 0 215.039 2.230 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1ncnc(Cl)c1C=O ZINC000167218259 346214335 /nfs/dbraw/zinc/21/43/35/346214335.db2.gz GQTKWZQKTOFXPX-RNFRBKRXSA-N 0 0 225.679 2.010 10 0 BEAERN Nc1nc(CSc2ncco2)cs1 ZINC000236364573 346232448 /nfs/dbraw/zinc/23/24/48/346232448.db2.gz MJCSRQQEHQDPGI-UHFFFAOYSA-N 0 0 213.287 2.006 10 0 BEAERN Cc1cccc(C(=O)N(C)[C@@H](C)CO)c1Cl ZINC000125932010 179005725 /nfs/dbraw/zinc/00/57/25/179005725.db2.gz ZTPCXBJAGAHCCT-VIFPVBQESA-N 0 0 241.718 2.101 10 0 BEAERN NN[C@H](c1ncccc1Cl)C1CCC1 ZINC000236271352 346217459 /nfs/dbraw/zinc/21/74/59/346217459.db2.gz XZIPGLAWAWXBBB-VIFPVBQESA-N 0 0 211.696 2.040 10 0 BEAERN CN1C(=N)NC(=O)C1=Cc1c[nH]c2ccccc12 ZINC000034215717 346226858 /nfs/dbraw/zinc/22/68/58/346226858.db2.gz AAMOMFNMMXXVGM-IZZDOVSWSA-N 0 0 240.266 2.345 10 0 BEAERN NN[C@H](c1ccc(Cl)s1)C1CC1 ZINC000167384304 346244255 /nfs/dbraw/zinc/24/42/55/346244255.db2.gz GFEZWKGSOZZNPM-QMMMGPOBSA-N 0 0 202.710 2.316 10 0 BEAERN Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1O ZINC000336319546 179012798 /nfs/dbraw/zinc/01/27/98/179012798.db2.gz AOKVRMWCIUZWFI-JQWIXIFHSA-N 0 0 231.295 2.325 10 0 BEAERN O[C@H](c1ccoc1Br)C1CC1 ZINC000236524425 346246717 /nfs/dbraw/zinc/24/67/17/346246717.db2.gz KXJVJOAQWUAVLZ-ZETCQYMHSA-N 0 0 217.062 2.486 10 0 BEAERN O[C@@H](c1ccoc1Br)C1CC1 ZINC000236528826 346246753 /nfs/dbraw/zinc/24/67/53/346246753.db2.gz KXJVJOAQWUAVLZ-SSDOTTSWSA-N 0 0 217.062 2.486 10 0 BEAERN O[C@@H](c1ccco1)c1ncccc1Cl ZINC000236535584 346247199 /nfs/dbraw/zinc/24/71/99/346247199.db2.gz YRQDFKRNFMSOGR-JTQLQIEISA-N 0 0 209.632 2.410 10 0 BEAERN CNS(=O)(=O)[C@H]1CC[C@H](C)c2ccccc21 ZINC000669375951 537959766 /nfs/dbraw/zinc/95/97/66/537959766.db2.gz ZQSXOSCQJUHBSN-CABZTGNLSA-N 0 0 239.340 2.174 10 0 BEAERN Cc1cccc(C(=O)NCC(C)(C)C)c1N ZINC000040494516 179014920 /nfs/dbraw/zinc/01/49/20/179014920.db2.gz XWEVMKNARQWGFU-UHFFFAOYSA-N 0 0 220.316 2.353 10 0 BEAERN Cc1cccc(C(=O)NCC2CCCC2)c1N ZINC000037257377 179015809 /nfs/dbraw/zinc/01/58/09/179015809.db2.gz NSIXWIALONMFQQ-UHFFFAOYSA-N 0 0 232.327 2.497 10 0 BEAERN Cc1cccc(C(=O)Nc2nccs2)c1N ZINC000021957514 179026075 /nfs/dbraw/zinc/02/60/75/179026075.db2.gz GHWIVHYHOZNKIB-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN C[C@H]1CC[C@](CC(=O)OC(C)(C)C)(ON)C1 ZINC000675052563 537963649 /nfs/dbraw/zinc/96/36/49/537963649.db2.gz BJYZPGKIKYMFFR-CABZTGNLSA-N 0 0 229.320 2.167 10 0 BEAERN Cc1nn(CCSC(C)C)c(C)c1N ZINC000308549822 537964013 /nfs/dbraw/zinc/96/40/13/537964013.db2.gz PLIJVXWSYXDDOZ-UHFFFAOYSA-N 0 0 213.350 2.224 10 0 BEAERN Cc1cccc(C(=O)NC[C@H](O)C(C)(C)C)c1 ZINC000268642555 179018103 /nfs/dbraw/zinc/01/81/03/179018103.db2.gz CBKZHESVCPTBTG-LBPRGKRZSA-N 0 0 235.327 2.132 10 0 BEAERN Cc1cccc(C(=O)NC[C@H](O)C(C)(C)C)c1C ZINC000268691331 179018474 /nfs/dbraw/zinc/01/84/74/179018474.db2.gz INWQFNQZVYLNJZ-ZDUSSCGKSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1cccc(C(=O)NCc2ccco2)c1N ZINC000021954156 179019972 /nfs/dbraw/zinc/01/99/72/179019972.db2.gz MKTXMAVIRRRFER-UHFFFAOYSA-N 0 0 230.267 2.100 10 0 BEAERN S=c1[nH]nc(Cl)cc1-c1ccc[nH]1 ZINC000236645525 346278992 /nfs/dbraw/zinc/27/89/92/346278992.db2.gz HNRZPTFMMQHQQU-UHFFFAOYSA-N 0 0 211.677 2.414 10 0 BEAERN Cc1nc(C(=O)N2CCCCC2)cs1 ZINC000062618631 346293710 /nfs/dbraw/zinc/29/37/10/346293710.db2.gz BZWXVTMYUSABAM-UHFFFAOYSA-N 0 0 210.302 2.078 10 0 BEAERN Cc1nnc(Sc2cccc(F)n2)o1 ZINC000051038271 346298381 /nfs/dbraw/zinc/29/83/81/346298381.db2.gz CAFQDISPYHZTOI-UHFFFAOYSA-N 0 0 211.221 2.063 10 0 BEAERN Cc1cccc(C(=O)c2cc(C=O)n(C)c2)c1 ZINC000009280518 179027545 /nfs/dbraw/zinc/02/75/45/179027545.db2.gz VLPKFRZURZZOLA-UHFFFAOYSA-N 0 0 227.263 2.377 10 0 BEAERN Cc1cccc(C)c1C(=O)N(C)CC1CC(O)C1 ZINC000226323536 179029941 /nfs/dbraw/zinc/02/99/41/179029941.db2.gz ZCNQDTDJKIEGEM-UHFFFAOYSA-N 0 0 247.338 2.146 10 0 BEAERN [NH3+]Cc1csc2ccc(C(=O)[O-])cc12 ZINC000215370310 537968004 /nfs/dbraw/zinc/96/80/04/537968004.db2.gz FZEMMNMNFPOIJV-UHFFFAOYSA-N 0 0 207.254 2.058 10 0 BEAERN OC[C@H](O)CSCCC1CCCCC1 ZINC000300716733 346374520 /nfs/dbraw/zinc/37/45/20/346374520.db2.gz FBTYMQZFCWOIKG-NSHDSACASA-N 0 0 218.362 2.043 10 0 BEAERN Cc1cccc(CCO)c1Br ZINC000098178961 179061206 /nfs/dbraw/zinc/06/12/06/179061206.db2.gz QRQATCDZCSIOKN-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN Cc1cccc(CN(C)CC(=O)NC(C)(C)C)c1 ZINC000061785340 179063188 /nfs/dbraw/zinc/06/31/88/179063188.db2.gz FRLUWZCAXQCIDN-UHFFFAOYSA-N 0 0 248.370 2.342 10 0 BEAERN Cc1cnc(-c2cc(C)nc(F)c2)nc1 ZINC000669378960 537973286 /nfs/dbraw/zinc/97/32/86/537973286.db2.gz QJXHMGZCIGJSEH-UHFFFAOYSA-N 0 0 203.220 2.295 10 0 BEAERN Cc1ncccc1-c1nnc(Br)o1 ZINC000157857304 346387400 /nfs/dbraw/zinc/38/74/00/346387400.db2.gz HXMPOPJWBDDSQI-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN OCc1cccc(Cl)c1OC(F)F ZINC000159191245 346410239 /nfs/dbraw/zinc/41/02/39/346410239.db2.gz BOQYMPJODSDPDR-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN Fc1ncc(Cl)cc1-c1cncnc1 ZINC000725241285 537978715 /nfs/dbraw/zinc/97/87/15/537978715.db2.gz IYJFJFDKUICLCX-UHFFFAOYSA-N 0 0 209.611 2.331 10 0 BEAERN CCc1cnc([C@@H]2CSCCN2)s1 ZINC000160269001 346446268 /nfs/dbraw/zinc/44/62/68/346446268.db2.gz SMXRSOFTSSUSBP-QMMMGPOBSA-N 0 0 214.359 2.083 10 0 BEAERN CCc1nnsc1[C@H](O)c1ccsc1 ZINC000160289408 346446922 /nfs/dbraw/zinc/44/69/22/346446922.db2.gz LNAFQXPSXXTDLP-MRVPVSSYSA-N 0 0 226.326 2.244 10 0 BEAERN C[C@H]1SCCC[C@]1(O)C1=COCCC1 ZINC000159983440 346436507 /nfs/dbraw/zinc/43/65/07/346436507.db2.gz OIMSBRWIKCWNEX-MWLCHTKSSA-N 0 0 214.330 2.327 10 0 BEAERN CC(C)n1nnnc1CN(C)c1ccccc1F ZINC000170717754 346439236 /nfs/dbraw/zinc/43/92/36/346439236.db2.gz WSZHYKQAEJGFHP-UHFFFAOYSA-N 0 0 249.293 2.030 10 0 BEAERN Cc1ccc2sc(=NN(C)C)[nH]c2c1 ZINC000148786216 346440383 /nfs/dbraw/zinc/44/03/83/346440383.db2.gz PKMJTZAMQOUGIY-UHFFFAOYSA-N 0 0 207.302 2.493 10 0 BEAERN NN[C@@H](c1ccc(Cl)nc1)C1CCC1 ZINC000229621823 346442278 /nfs/dbraw/zinc/44/22/78/346442278.db2.gz QHPJUWRLNFASNB-SNVBAGLBSA-N 0 0 211.696 2.040 10 0 BEAERN C/C(=C\I)C/C=C\CO ZINC000215991020 349965512 /nfs/dbraw/zinc/96/55/12/349965512.db2.gz MXWGLAVIFLUCCX-BRXUXDTNSA-N 0 0 238.068 2.264 10 0 BEAERN CCCN(C)c1cc(Br)nc(C)n1 ZINC000160555598 346457542 /nfs/dbraw/zinc/45/75/42/346457542.db2.gz ATNBFAKGFFRHFB-UHFFFAOYSA-N 0 0 244.136 2.394 10 0 BEAERN O=C1CCO[C@@H](CCc2ccccc2)C1 ZINC000069850834 349962280 /nfs/dbraw/zinc/96/22/80/349962280.db2.gz UXPWWIZFVIHLHN-ZDUSSCGKSA-N 0 0 204.269 2.367 10 0 BEAERN O[C@H]1CCO[C@@H](CCc2ccccc2)C1 ZINC000069850588 349962309 /nfs/dbraw/zinc/96/23/09/349962309.db2.gz HIFVIQBYTOVQAP-STQMWFEESA-N 0 0 206.285 2.159 10 0 BEAERN Cc1cccc(Cl)c1N1C(=O)C=CC1=O ZINC000010151669 179108480 /nfs/dbraw/zinc/10/84/80/179108480.db2.gz RKJWNTHRMPCNHU-UHFFFAOYSA-N 0 0 221.643 2.078 10 0 BEAERN CCc1noc(CN[C@H](C)c2ccc(C)o2)n1 ZINC000623014261 346509664 /nfs/dbraw/zinc/50/96/64/346509664.db2.gz IWDWQJAFUBPLPJ-SECBINFHSA-N 0 0 235.287 2.384 10 0 BEAERN Cc1cccc(Cl)c1N1C(=O)CCC1=O ZINC000010151666 179108252 /nfs/dbraw/zinc/10/82/52/179108252.db2.gz ZOSSJOHWRSBNOW-UHFFFAOYSA-N 0 0 223.659 2.302 10 0 BEAERN Cc1cccc(CNc2ccnc(C)n2)n1 ZINC000054936491 179102878 /nfs/dbraw/zinc/10/28/78/179102878.db2.gz QWLHMZHKZINSFE-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN COc1ccc([C@@H]2[C@@H](CO)C2(F)F)cc1 ZINC000675055061 537981839 /nfs/dbraw/zinc/98/18/39/537981839.db2.gz YMKXZHJWNOUMCW-NXEZZACHSA-N 0 0 214.211 2.036 10 0 BEAERN C[C@@]1(C(=O)[C@@H]2CCCOC2)CCCS1 ZINC000164725221 346620106 /nfs/dbraw/zinc/62/01/06/346620106.db2.gz YGYGAMJWBZHTFU-KOLCDFICSA-N 0 0 214.330 2.268 10 0 BEAERN C[C@@]1(C(=O)C2CCOCC2)CCCS1 ZINC000164724994 346620461 /nfs/dbraw/zinc/62/04/61/346620461.db2.gz UIPNAZMLJAKDPM-NSHDSACASA-N 0 0 214.330 2.268 10 0 BEAERN Cc1cc(N)c(Cl)cc1N1CCCO1 ZINC000164137406 346592713 /nfs/dbraw/zinc/59/27/13/346592713.db2.gz YXRYFWQGMPBDQN-UHFFFAOYSA-N 0 0 212.680 2.372 10 0 BEAERN Nc1cc(Cl)ccc1CN1CCCO1 ZINC000164176756 346594209 /nfs/dbraw/zinc/59/42/09/346594209.db2.gz BMVSIKZUXYFPJI-UHFFFAOYSA-N 0 0 212.680 2.060 10 0 BEAERN CCn1ccnc1C[S@@](=O)C1CCCC1 ZINC000177291451 346595866 /nfs/dbraw/zinc/59/58/66/346595866.db2.gz FOCOOPAZHKKDDO-OAHLLOKOSA-N 0 0 226.345 2.094 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@H]([C@H](C)O)C1 ZINC000580701303 346603020 /nfs/dbraw/zinc/60/30/20/346603020.db2.gz DHTXHAJKUQPIDY-NWDGAFQWSA-N 0 0 249.358 2.197 10 0 BEAERN CCC[C@@H]1CC=C([C@@H](O)C(=O)OCC)CC1 ZINC000675055178 537984126 /nfs/dbraw/zinc/98/41/26/537984126.db2.gz YWFYBPXNLFQGNA-ZYHUDNBSSA-N 0 0 226.316 2.437 10 0 BEAERN NN[C@@H](c1cc(F)ccc1Cl)C(F)F ZINC000164645594 346614060 /nfs/dbraw/zinc/61/40/60/346614060.db2.gz BPZUCKJGLJQCRF-ZETCQYMHSA-N 0 0 224.613 2.249 10 0 BEAERN C[C@@]1(C(=O)[C@@H]2CCCCO2)CCCS1 ZINC000164751456 346622726 /nfs/dbraw/zinc/62/27/26/346622726.db2.gz ABVAJZLREXXWIH-ONGXEEELSA-N 0 0 214.330 2.410 10 0 BEAERN C[C@@]1(C(=O)C[C@@H]2CCCO2)CCCS1 ZINC000164753114 346622782 /nfs/dbraw/zinc/62/27/82/346622782.db2.gz PDBDFKKVZVQQKJ-ONGXEEELSA-N 0 0 214.330 2.410 10 0 BEAERN CC[C@H](C)Cc1nc(Br)no1 ZINC000164663206 346615646 /nfs/dbraw/zinc/61/56/46/346615646.db2.gz SMRDUKBEZWOUHT-YFKPBYRVSA-N 0 0 219.082 2.421 10 0 BEAERN Cc1cccc(N)c1C(=O)NC(C1CC1)C1CC1 ZINC000049234277 179119489 /nfs/dbraw/zinc/11/94/89/179119489.db2.gz ZKWQSADWSFPZNE-UHFFFAOYSA-N 0 0 244.338 2.496 10 0 BEAERN CC(C)(C)c1csc(-c2cn[nH]n2)n1 ZINC000164704360 346618336 /nfs/dbraw/zinc/61/83/36/346618336.db2.gz QXVDZFUYNGKNLI-UHFFFAOYSA-N 0 0 208.290 2.226 10 0 BEAERN Cc1cccc(NC(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000134926526 179135768 /nfs/dbraw/zinc/13/57/68/179135768.db2.gz BBMKQHFFOPHNMZ-MNOVXSKESA-N 0 0 236.315 2.133 10 0 BEAERN COC(=O)c1ccccc1[C@H](O)C(F)(F)F ZINC000107778706 346661753 /nfs/dbraw/zinc/66/17/53/346661753.db2.gz DNPJXBZVRRSEPV-QMMMGPOBSA-N 0 0 234.173 2.069 10 0 BEAERN Cn1ccnc1CNc1cc(F)cc(F)c1 ZINC000036896231 346670218 /nfs/dbraw/zinc/67/02/18/346670218.db2.gz PWTZSHZCVLCRAW-UHFFFAOYSA-N 0 0 223.226 2.310 10 0 BEAERN Cc1ccc([C@H]2CC(=O)N2)cc1Br ZINC000164828220 346628485 /nfs/dbraw/zinc/62/84/85/346628485.db2.gz GEKZUYNLQGEPED-SECBINFHSA-N 0 0 240.100 2.319 10 0 BEAERN CC[C@H](NC(=O)CCC(C)=O)c1nccs1 ZINC000203524371 346636107 /nfs/dbraw/zinc/63/61/07/346636107.db2.gz ZWMQOSHRVCQPFN-VIFPVBQESA-N 0 0 240.328 2.080 10 0 BEAERN Cc1cccc(NCCN2CCOCC2)c1C ZINC000020055912 179145497 /nfs/dbraw/zinc/14/54/97/179145497.db2.gz TVONWGSMOUNNBO-UHFFFAOYSA-N 0 0 234.343 2.048 10 0 BEAERN Cc1cccc(N[C@H](C(N)=O)C(C)(C)C)c1 ZINC000041051717 179156385 /nfs/dbraw/zinc/15/63/85/179156385.db2.gz YDDPEIHSTJRRLA-LLVKDONJSA-N 0 0 220.316 2.307 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115360613 370650286 /nfs/dbraw/zinc/65/02/86/370650286.db2.gz YAJRQKQXNXWZSM-SDBXPKJASA-N 0 0 246.285 2.374 10 0 BEAERN Cc1cccc(N[C@@H](C)C(=O)NC(C)C)c1 ZINC000020304410 179153148 /nfs/dbraw/zinc/15/31/48/179153148.db2.gz OSQZMJASCVANOW-NSHDSACASA-N 0 0 220.316 2.320 10 0 BEAERN Cc1cccc(N[C@@H](C)C(=O)N(C)C)c1C ZINC000058181503 179153708 /nfs/dbraw/zinc/15/37/08/179153708.db2.gz XPVOZWJHNXZIHH-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN NC(=O)[C@H]1C[C@H]1c1ccccc1Br ZINC000168997554 346750056 /nfs/dbraw/zinc/75/00/56/346750056.db2.gz JESQDZMMQLLXIU-YUMQZZPRSA-N 0 0 240.100 2.038 10 0 BEAERN Cc1cccc(Nc2ncc(N)cn2)c1C ZINC000040455538 179160871 /nfs/dbraw/zinc/16/08/71/179160871.db2.gz RPRMYLDOMCJYLL-UHFFFAOYSA-N 0 0 214.272 2.419 10 0 BEAERN Cc1cccc(OCCC(N)=S)c1C ZINC000005592775 179164293 /nfs/dbraw/zinc/16/42/93/179164293.db2.gz IMMWTXSYFRYWFI-UHFFFAOYSA-N 0 0 209.314 2.358 10 0 BEAERN Cc1cccc(Nc2nc3c(c(=O)[nH]2)CCC3)c1 ZINC000011991362 179159269 /nfs/dbraw/zinc/15/92/69/179159269.db2.gz XTUGNAVJEZJXGQ-UHFFFAOYSA-N 0 0 241.294 2.311 10 0 BEAERN Cc1cccc(OC[C@@H]2CCCO2)c1N ZINC000035283672 179170339 /nfs/dbraw/zinc/17/03/39/179170339.db2.gz HYUPHSKUMPWSBR-JTQLQIEISA-N 0 0 207.273 2.135 10 0 BEAERN Cc1cccc(O[C@@H](C)C(N)=S)c1C ZINC000041218967 179174006 /nfs/dbraw/zinc/17/40/06/179174006.db2.gz NXYJLSBWDJIJTQ-VIFPVBQESA-N 0 0 209.314 2.357 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H](C)C2)O1 ZINC000184379519 347160377 /nfs/dbraw/zinc/16/03/77/347160377.db2.gz IWRZTXIPZRHFJM-GRYCIOLGSA-N 0 0 225.332 2.203 10 0 BEAERN CCOC(=O)COc1ccc(Cl)cc1OC ZINC000038276761 347162381 /nfs/dbraw/zinc/16/23/81/347162381.db2.gz IMIZXXDDMGNXGP-UHFFFAOYSA-N 0 0 244.674 2.291 10 0 BEAERN Cc1cccc(O[C@H](C)C(N)=S)c1C ZINC000041218969 179174997 /nfs/dbraw/zinc/17/49/97/179174997.db2.gz NXYJLSBWDJIJTQ-SECBINFHSA-N 0 0 209.314 2.357 10 0 BEAERN Cc1cccc(O[C@H](C)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075530114 179175295 /nfs/dbraw/zinc/17/52/95/179175295.db2.gz ZBZLRBMXBUTHNJ-DMDPSCGWSA-N 0 0 233.311 2.287 10 0 BEAERN COC(=O)C1=CC=C2C=CC=CC(=C1)C2 ZINC000039247246 347188539 /nfs/dbraw/zinc/18/85/39/347188539.db2.gz JPLJWIPSBXDDKK-UHFFFAOYSA-N 0 0 200.237 2.468 10 0 BEAERN COC(=O)c1cncc(OCc2ccccc2)c1 ZINC000115489882 347216103 /nfs/dbraw/zinc/21/61/03/347216103.db2.gz ALFRUJCNWFGWTG-UHFFFAOYSA-N 0 0 243.262 2.447 10 0 BEAERN CCOc1ccc2c(n1)N(C(C)C)CCN2 ZINC000669380372 537988087 /nfs/dbraw/zinc/98/80/87/537988087.db2.gz MNGBMNSXTGTBEZ-UHFFFAOYSA-N 0 0 221.304 2.121 10 0 BEAERN Cc1sc(C(N)=S)cc1Br ZINC000227914381 347241306 /nfs/dbraw/zinc/24/13/06/347241306.db2.gz CVKNNOXRZHIYMV-UHFFFAOYSA-N 0 0 236.159 2.453 10 0 BEAERN O=C([O-])[C@@]1(CC2CCCCC2)CC[NH2+]C1 ZINC000062878659 347242611 /nfs/dbraw/zinc/24/26/11/347242611.db2.gz VYXKHTBRWFPTGS-GFCCVEGCSA-N 0 0 211.305 2.021 10 0 BEAERN Cc1cccc([C@H]2NC(=O)[C@@H]3CCCCN32)c1C ZINC000078758587 179205091 /nfs/dbraw/zinc/20/50/91/179205091.db2.gz PNXUKOZJXMJEFA-KBPBESRZSA-N 0 0 244.338 2.286 10 0 BEAERN Cc1cccc([C@H](N)c2noc(C3CC3)n2)c1 ZINC000036764251 179199921 /nfs/dbraw/zinc/19/99/21/179199921.db2.gz NHHDEZGXZMSFGI-NSHDSACASA-N 0 0 229.283 2.304 10 0 BEAERN Cc1cccc([C@H](O)c2ccncc2)c1O ZINC000001646047 179203730 /nfs/dbraw/zinc/20/37/30/179203730.db2.gz XRBYOMOZCCPWDQ-CYBMUJFWSA-N 0 0 215.252 2.177 10 0 BEAERN CCCCc1nc2cc(C)cc(O)n2n1 ZINC000725243038 537989024 /nfs/dbraw/zinc/98/90/24/537989024.db2.gz GWLDTDOFXKPMDU-UHFFFAOYSA-N 0 0 205.261 2.086 10 0 BEAERN NC(=O)c1ccc(OC(F)(F)F)cc1Cl ZINC000149582104 347340333 /nfs/dbraw/zinc/34/03/33/347340333.db2.gz SNDSDASSMSNLOJ-UHFFFAOYSA-N 0 0 239.580 2.338 10 0 BEAERN FC(F)c1cc2c(Cl)nccn2n1 ZINC000669380544 537989093 /nfs/dbraw/zinc/98/90/93/537989093.db2.gz QLWIXYQRCBWBGQ-UHFFFAOYSA-N 0 0 203.579 2.320 10 0 BEAERN Cc1cccc2c1[nH+]cc(C(=O)[O-])c2N(C)C ZINC000032500238 179210495 /nfs/dbraw/zinc/21/04/95/179210495.db2.gz VYJAAMOLKKZABS-UHFFFAOYSA-N 0 0 230.267 2.307 10 0 BEAERN COc1cncc(-c2cnc(Cl)cc2N)c1 ZINC000113387078 347351266 /nfs/dbraw/zinc/35/12/66/347351266.db2.gz VHFPLQQYEOPLFY-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN Cc1cccc2c(Oc3cnn(C)c3)ncnc12 ZINC000302296188 179212237 /nfs/dbraw/zinc/21/22/37/179212237.db2.gz MFBXVRJOGRZSNC-UHFFFAOYSA-N 0 0 240.266 2.464 10 0 BEAERN CSCC(=O)NCc1ccc(F)c(C)c1 ZINC000054483708 347408423 /nfs/dbraw/zinc/40/84/23/347408423.db2.gz CSUJUQRRRACVOF-UHFFFAOYSA-N 0 0 227.304 2.113 10 0 BEAERN Cc1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725242973 537989526 /nfs/dbraw/zinc/98/95/26/537989526.db2.gz CYIMUNHBXSIOAU-UHFFFAOYSA-N 0 0 205.261 2.175 10 0 BEAERN COC(=O)c1ccc([C@H](O)c2nccs2)cc1 ZINC000145315754 347388643 /nfs/dbraw/zinc/38/86/43/347388643.db2.gz YXPNRKGSVWMZFZ-JTQLQIEISA-N 0 0 249.291 2.011 10 0 BEAERN c1cnn(-c2cccc(-c3ccccn3)n2)c1 ZINC000146341344 347390453 /nfs/dbraw/zinc/39/04/53/347390453.db2.gz VIMBMAKZWNNQGI-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN Cc1cccc2nc([C@@H]3CCOC3)[nH]c(=O)c12 ZINC000328802197 179232048 /nfs/dbraw/zinc/23/20/48/179232048.db2.gz ZTGZFPOMJYHLTF-SECBINFHSA-N 0 0 230.267 2.148 10 0 BEAERN Cc1c(N)c(Br)ccc1O ZINC000149677274 347425912 /nfs/dbraw/zinc/42/59/12/347425912.db2.gz NFJFOQKXQLXRFO-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN Cc1cccc2sc([C@H]3COCCN3)nc21 ZINC000083113504 179234842 /nfs/dbraw/zinc/23/48/42/179234842.db2.gz RYRDYRVOKVNEPW-SECBINFHSA-N 0 0 234.324 2.266 10 0 BEAERN O=C([O-])[C@H]1C[C@H](CCCc2ccccc2)C[NH2+]1 ZINC000199482268 347434777 /nfs/dbraw/zinc/43/47/77/347434777.db2.gz AVAZFOPXMYXDNT-QWHCGFSZSA-N 0 0 233.311 2.072 10 0 BEAERN C[C@@H]1Cc2c(c(Br)ccc2N)O1 ZINC000616567658 347435822 /nfs/dbraw/zinc/43/58/22/347435822.db2.gz KNWSNSAAZFCILZ-RXMQYKEDSA-N 0 0 228.089 2.355 10 0 BEAERN COc1cccc2c1CC[C@H](C(N)=S)C2 ZINC000616568344 347447042 /nfs/dbraw/zinc/44/70/42/347447042.db2.gz IOAXYXOTGJPDKB-VIFPVBQESA-N 0 0 221.325 2.086 10 0 BEAERN CC[C@H](C)Cc1nc2cc(C)cc(O)n2n1 ZINC000725243159 537990848 /nfs/dbraw/zinc/99/08/48/537990848.db2.gz NCGZPQRVMQYLSI-QMMMGPOBSA-N 0 0 219.288 2.332 10 0 BEAERN Cc1ccccc1-c1noc(CC[C@H](C)O)n1 ZINC000104072582 179241386 /nfs/dbraw/zinc/24/13/86/179241386.db2.gz DGICYOOIRXPLNG-JTQLQIEISA-N 0 0 232.283 2.358 10 0 BEAERN Cc1ccccc1C(=O)CCN1CCO[C@H](C)C1 ZINC000054013336 179245393 /nfs/dbraw/zinc/24/53/93/179245393.db2.gz WVZAAANHQJPUEH-CYBMUJFWSA-N 0 0 247.338 2.289 10 0 BEAERN CCCC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000033865651 168572195 /nfs/dbraw/zinc/57/21/95/168572195.db2.gz WRZHCJAMRKTKNK-UHFFFAOYSA-N 0 0 205.213 2.104 10 0 BEAERN COc1ccc2c(c1)C[C@@H](C(N)=S)CC2 ZINC000616569034 347519619 /nfs/dbraw/zinc/51/96/19/347519619.db2.gz PHXZTYIUTVOMBT-VIFPVBQESA-N 0 0 221.325 2.086 10 0 BEAERN Cc1ccccc1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000225673594 179252275 /nfs/dbraw/zinc/25/22/75/179252275.db2.gz JORRHDGNPFVZMY-JSGCOSHPSA-N 0 0 247.338 2.276 10 0 BEAERN C[C@@H]1CCCCN1C(=O)c1cccc(F)c1N ZINC000054205776 1172092938 /nfs/dbraw/zinc/09/29/38/1172092938.db2.gz FHJITMPZHFDQNM-SECBINFHSA-N 0 0 236.290 2.423 10 0 BEAERN Cc1ccccc1CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000076365815 179257882 /nfs/dbraw/zinc/25/78/82/179257882.db2.gz TZBWZFLGKBJHIZ-STQMWFEESA-N 0 0 247.338 2.173 10 0 BEAERN Cc1ccccc1CC(=S)N1CCOCC1 ZINC000039125028 179260150 /nfs/dbraw/zinc/26/01/50/179260150.db2.gz QHCOWSSRBVXMRA-UHFFFAOYSA-N 0 0 235.352 2.197 10 0 BEAERN Cc1ccc(NC(=O)c2cccc(F)c2N)nc1 ZINC000054205373 1172094408 /nfs/dbraw/zinc/09/44/08/1172094408.db2.gz HLRXNQPMAKCIEZ-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CCOC(=O)[C@H](C)c1ccc(N)c(C)c1 ZINC000200003197 347781647 /nfs/dbraw/zinc/78/16/47/347781647.db2.gz ZLTPFUCQBGELAR-SECBINFHSA-N 0 0 207.273 2.244 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000075529172 347774818 /nfs/dbraw/zinc/77/48/18/347774818.db2.gz JVXKQHBQKORWMD-XCBNKYQSSA-N 0 0 241.237 2.426 10 0 BEAERN Cc1ccccc1NC(=O)c1cnc(N)s1 ZINC000033359008 179302916 /nfs/dbraw/zinc/30/29/16/179302916.db2.gz HVVKMORRBPMRDO-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1ccccc1N1C(=O)CCC1=S ZINC000039124771 179296323 /nfs/dbraw/zinc/29/63/23/179296323.db2.gz YPGCUGCWPOJLSV-UHFFFAOYSA-N 0 0 205.282 2.449 10 0 BEAERN Cc1ccccc1Nc1ncc(N)cn1 ZINC000040455548 179307968 /nfs/dbraw/zinc/30/79/68/179307968.db2.gz GNIRDAIQNAXFOO-UHFFFAOYSA-N 0 0 200.245 2.111 10 0 BEAERN Cc1nn(C)c(Oc2ccccc2C)c1CO ZINC000020468814 179313917 /nfs/dbraw/zinc/31/39/17/179313917.db2.gz ZJVKMFWNKYYAAL-UHFFFAOYSA-N 0 0 232.283 2.322 10 0 BEAERN Cc1ccccc1SCC(=O)Nc1cc[nH]n1 ZINC000042414044 179315015 /nfs/dbraw/zinc/31/50/15/179315015.db2.gz KZKLKJAPMKBLBC-UHFFFAOYSA-N 0 0 247.323 2.449 10 0 BEAERN Cc1ccccc1SCC(=O)N1CCCO1 ZINC000125436361 179315382 /nfs/dbraw/zinc/31/53/82/179315382.db2.gz IIFSJIWBXZKGCL-UHFFFAOYSA-N 0 0 237.324 2.251 10 0 BEAERN Cc1ccccc1OCCNC(=O)N[C@@H]1C[C@@H]1C ZINC000075978818 179311590 /nfs/dbraw/zinc/31/15/90/179311590.db2.gz POWPVNRJJNQEKQ-NWDGAFQWSA-N 0 0 248.326 2.081 10 0 BEAERN CC[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCS1 ZINC000253072557 347932949 /nfs/dbraw/zinc/93/29/49/347932949.db2.gz ODAZNNKLDDVAJI-USZNOCQGSA-N 0 0 239.384 2.387 10 0 BEAERN CC(C)NS(=O)(=O)C[C@@H]1C[C@H]2CCCC[C@H]12 ZINC000669381408 537995291 /nfs/dbraw/zinc/99/52/91/537995291.db2.gz IVYMWDUVSHLCEA-WOPDTQHZSA-N 0 0 245.388 2.141 10 0 BEAERN Cn1cc(C=O)c(-c2ccccc2F)n1 ZINC000036894408 347967858 /nfs/dbraw/zinc/96/78/58/347967858.db2.gz QWZLFOGEBBXHDH-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CCCCc1nnc2cc(Cl)ncn21 ZINC000036903844 347970089 /nfs/dbraw/zinc/97/00/89/347970089.db2.gz KUZUWFWEJVMJHM-UHFFFAOYSA-N 0 0 210.668 2.120 10 0 BEAERN O=c1cc(Cl)nc2cc(C(F)(F)F)ccn12 ZINC000725243956 537995729 /nfs/dbraw/zinc/99/57/29/537995729.db2.gz BUGSBLHEFQWTRB-UHFFFAOYSA-N 0 0 248.591 2.367 10 0 BEAERN Cc1ccccc1[C@@H](CC(=O)[O-])[NH+](C)C ZINC000057494617 179322590 /nfs/dbraw/zinc/32/25/90/179322590.db2.gz UVXYBIVMPXEVTM-LLVKDONJSA-N 0 0 207.273 2.072 10 0 BEAERN Fc1ccc(F)c(C2N=NC(=S)N2)c1 ZINC000036948329 347987704 /nfs/dbraw/zinc/98/77/04/347987704.db2.gz PLPHSOVYGYFIAO-UHFFFAOYSA-N 0 0 213.212 2.039 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC000120621725 179335822 /nfs/dbraw/zinc/33/58/22/179335822.db2.gz LEENEEKKSRGTSO-NSHDSACASA-N 0 0 243.310 2.138 10 0 BEAERN Clc1ncccc1NC[C@@H]1CCOC1 ZINC000036982946 348009113 /nfs/dbraw/zinc/00/91/13/348009113.db2.gz CHWNKSONXMKHPC-QMMMGPOBSA-N 0 0 212.680 2.183 10 0 BEAERN Clc1cncc(Sc2nncs2)n1 ZINC000037066236 348018947 /nfs/dbraw/zinc/01/89/47/348018947.db2.gz ZPFCFLURJSAVGD-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN Cc1ccccc1[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000037183464 179333076 /nfs/dbraw/zinc/33/30/76/179333076.db2.gz CCGAFDBNHRTHAY-CYBMUJFWSA-N 0 0 219.284 2.047 10 0 BEAERN NC(=S)c1cc(C(F)(F)F)ccc1O ZINC000036949560 347979053 /nfs/dbraw/zinc/97/90/53/347979053.db2.gz JWDBIODPINSNFH-UHFFFAOYSA-N 0 0 221.203 2.045 10 0 BEAERN CS[C@H]1CCC[C@@H]1Nc1cnccn1 ZINC000230915988 349981445 /nfs/dbraw/zinc/98/14/45/349981445.db2.gz JPCHPFNTSZGGET-IUCAKERBSA-N 0 0 209.318 2.173 10 0 BEAERN O=C(NC[C@H]1CCNc2ccccc21)C1CC1 ZINC000616570923 348072432 /nfs/dbraw/zinc/07/24/32/348072432.db2.gz ICYKYXQUVIHVBK-LLVKDONJSA-N 0 0 230.311 2.112 10 0 BEAERN C/C=C/C(=O)NC[C@@H]1CCNc2ccccc21 ZINC000616570346 348034317 /nfs/dbraw/zinc/03/43/17/348034317.db2.gz FURQOMBMMOYCFL-DGXRNCNBSA-N 0 0 230.311 2.278 10 0 BEAERN Cc1cccnc1-c1c(N)cccc1O ZINC000095922574 179356925 /nfs/dbraw/zinc/35/69/25/179356925.db2.gz FMPILXPHINYEOO-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN Cc1ccccc1[C@H]1Cc2n[nH]cc2[C@@H](O)C1 ZINC000072415157 179351068 /nfs/dbraw/zinc/35/10/68/179351068.db2.gz DRYIPCHIMGFYMB-HZMBPMFUSA-N 0 0 228.295 2.482 10 0 BEAERN Cc1cccn(CC(=O)c2ccccc2)c1=O ZINC000062986094 179351598 /nfs/dbraw/zinc/35/15/98/179351598.db2.gz DMUJJJIIMZRXSJ-UHFFFAOYSA-N 0 0 227.263 2.040 10 0 BEAERN Cc1cccn2c(C=O)c(C3CC3)nc12 ZINC000001527446 179354320 /nfs/dbraw/zinc/35/43/20/179354320.db2.gz YKXUAAZWLGXAHW-UHFFFAOYSA-N 0 0 200.241 2.333 10 0 BEAERN Cc1cccnc1-n1ncc2ccc(N)cc21 ZINC000051041382 179358901 /nfs/dbraw/zinc/35/89/01/179358901.db2.gz KCOKOTUNIQCCJT-UHFFFAOYSA-N 0 0 224.267 2.311 10 0 BEAERN CCC(=O)N1CCC[C@H](c2cccc(N)c2)C1 ZINC000222827865 348225151 /nfs/dbraw/zinc/22/51/51/348225151.db2.gz KLNPCAYGOMVCSQ-LBPRGKRZSA-N 0 0 232.327 2.385 10 0 BEAERN Cc1cccnc1C(F)(F)C(=O)N[C@H]1C[C@@H]1C ZINC000194553076 179367038 /nfs/dbraw/zinc/36/70/38/179367038.db2.gz KOYXHKFZLUHNNX-IUCAKERBSA-N 0 0 240.253 2.006 10 0 BEAERN OCC[N@@H+]1CC[C@H](c2cncc3ccccc32)C1 ZINC000616613569 349983269 /nfs/dbraw/zinc/98/32/69/349983269.db2.gz LTXYKAYGJWSUJN-ZDUSSCGKSA-N 0 0 242.322 2.016 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]1(C)Cc1cccs1 ZINC000669382436 537998820 /nfs/dbraw/zinc/99/88/20/537998820.db2.gz HMKJDEWVFUNFCB-GXSJLCMTSA-N 0 0 226.297 2.011 10 0 BEAERN CC(C)C(=O)NC/C=C\c1ccccc1 ZINC000204095905 348261370 /nfs/dbraw/zinc/26/13/70/348261370.db2.gz WCCAFSXXSMZZDH-TWGQIWQCSA-N 0 0 203.285 2.472 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C2CC2)C2CCCC2)O1 ZINC000152400537 323180714 /nfs/dbraw/zinc/18/07/14/323180714.db2.gz NILIYDXGQKEBCA-GXFFZTMASA-N 0 0 237.343 2.488 10 0 BEAERN Cc1ccc(N2CCC(=O)C2)c(Cl)c1 ZINC000037240082 348279805 /nfs/dbraw/zinc/27/98/05/348279805.db2.gz ZGANZEANEFHLCE-UHFFFAOYSA-N 0 0 209.676 2.428 10 0 BEAERN Cc1cccnc1N[C@@H]1CCCC[C@H]1O ZINC000052006222 179394495 /nfs/dbraw/zinc/39/44/95/179394495.db2.gz LDIAICVMRFWHQI-GHMZBOCLSA-N 0 0 206.289 2.105 10 0 BEAERN Cc1cccnc1N[C@H]1CCCC[C@@H]1O ZINC000052006212 179394528 /nfs/dbraw/zinc/39/45/28/179394528.db2.gz LDIAICVMRFWHQI-QWRGUYRKSA-N 0 0 206.289 2.105 10 0 BEAERN Cc1cccnc1N[C@@H]1CCCC[C@@H]1O ZINC000052006209 179394821 /nfs/dbraw/zinc/39/48/21/179394821.db2.gz LDIAICVMRFWHQI-MNOVXSKESA-N 0 0 206.289 2.105 10 0 BEAERN Cc1ccc(C(=O)Cn2ccnc2)s1 ZINC000037340503 348330792 /nfs/dbraw/zinc/33/07/92/348330792.db2.gz MHTDKQMRBAEAFN-UHFFFAOYSA-N 0 0 206.270 2.136 10 0 BEAERN C[C@H]1CN(C(=O)CC2CC(F)(F)C2)CCS1 ZINC000334733183 133743119 /nfs/dbraw/zinc/74/31/19/133743119.db2.gz IIEZXXLPEIBUIV-QMMMGPOBSA-N 0 0 249.326 2.386 10 0 BEAERN O=C(Cn1cccn1)c1ccccc1Cl ZINC000037340809 348332055 /nfs/dbraw/zinc/33/20/55/348332055.db2.gz NVORMFMSEQNPOP-UHFFFAOYSA-N 0 0 220.659 2.419 10 0 BEAERN CC(C)[N@H+](C)[C@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000251779166 362913893 /nfs/dbraw/zinc/91/38/93/362913893.db2.gz FKFVYJSMYBWUDP-VWYCJHECSA-N 0 0 213.321 2.216 10 0 BEAERN CC(C)[N@H+](C)[C@H]1C[C@H](C)CC[C@H]1C(=O)[O-] ZINC000251779164 362914234 /nfs/dbraw/zinc/91/42/34/362914234.db2.gz FKFVYJSMYBWUDP-MXWKQRLJSA-N 0 0 213.321 2.216 10 0 BEAERN C[C@@H](Nc1nsnc1Cl)C1CC1 ZINC000037372404 348356784 /nfs/dbraw/zinc/35/67/84/348356784.db2.gz MUDYHDHDTNKJNJ-SCSAIBSYSA-N 0 0 203.698 2.402 10 0 BEAERN O=C([O-])C1(C[NH2+]C2CCCCC2)CCC1 ZINC000129700873 490163187 /nfs/dbraw/zinc/16/31/87/490163187.db2.gz JXEKINXOVSEFJQ-UHFFFAOYSA-N 0 0 211.305 2.164 10 0 BEAERN COC[C@@](C)(O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251705869 362901134 /nfs/dbraw/zinc/90/11/34/362901134.db2.gz BKUZCEIGXDRALE-NOOOWODRSA-N 0 0 200.322 2.456 10 0 BEAERN CCOC(=O)C/N=C/c1cccc(Cl)c1 ZINC000204832340 348411713 /nfs/dbraw/zinc/41/17/13/348411713.db2.gz VWZLTWSGTDDEBH-NTUHNPAUSA-N 0 0 225.675 2.322 10 0 BEAERN FC(F)(F)CN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334795336 133746640 /nfs/dbraw/zinc/74/66/40/133746640.db2.gz GZESCKHZRPUTNZ-DTWKUNHWSA-N 0 0 235.249 2.050 10 0 BEAERN Cc1ccc(C)c(C(=O)c2cnns2)c1 ZINC000159140603 348440263 /nfs/dbraw/zinc/44/02/63/348440263.db2.gz JMYHCTVASPTSCO-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN C[C@H]([C@H](C)C(=O)[O-])[N@@H+]1CCC[C@@H](C)CC1 ZINC000222029108 349990217 /nfs/dbraw/zinc/99/02/17/349990217.db2.gz OIEYNGLRKAEMRI-OUAUKWLOSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1ccnc([C@@](C)(O)C(F)(F)F)c1 ZINC000095642972 179466894 /nfs/dbraw/zinc/46/68/94/179466894.db2.gz DJWNALDGUDUGEA-MRVPVSSYSA-N 0 0 205.179 2.160 10 0 BEAERN Clc1cc2nc(-c3ccco3)nn2cn1 ZINC000205148631 348458999 /nfs/dbraw/zinc/45/89/99/348458999.db2.gz FSGASQRPVMDFJD-UHFFFAOYSA-N 0 0 220.619 2.038 10 0 BEAERN CCCC[C@@H]1C[C@H](C(=O)[O-])[C@H]2CCC[N@H+]12 ZINC000669382970 538006844 /nfs/dbraw/zinc/00/68/44/538006844.db2.gz QCORUKFZTKNLCS-OUAUKWLOSA-N 0 0 211.305 2.114 10 0 BEAERN CSCCCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000308779530 348548309 /nfs/dbraw/zinc/54/83/09/348548309.db2.gz OEPWZEWLNROUKO-JGPRNRPPSA-N 0 0 227.373 2.244 10 0 BEAERN Cc1ccncc1Nc1ncccc1C(N)=S ZINC000071414362 179495943 /nfs/dbraw/zinc/49/59/43/179495943.db2.gz QFLPASCYTITIPY-UHFFFAOYSA-N 0 0 244.323 2.163 10 0 BEAERN Cc1ccsc1C(=O)Nc1ccc(N)cn1 ZINC000034962856 179539234 /nfs/dbraw/zinc/53/92/34/179539234.db2.gz MOCWQRMGEGLAER-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@@H]1CCC[C@@H]12 ZINC000669383385 538007656 /nfs/dbraw/zinc/00/76/56/538007656.db2.gz PAFQIXQYXKXJLP-UUTMEEIUSA-N 0 0 230.691 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@H]1CCC[C@@H]12 ZINC000669383383 538007664 /nfs/dbraw/zinc/00/76/64/538007664.db2.gz PAFQIXQYXKXJLP-IFFSRLJSSA-N 0 0 230.691 2.074 10 0 BEAERN CC1=CCC[C@H](C)[C@@H]1C[C@H](C[NH3+])C(=O)[O-] ZINC000725246707 538009088 /nfs/dbraw/zinc/00/90/88/538009088.db2.gz UAQJLZGDJCALLG-HBNTYKKESA-N 0 0 211.305 2.028 10 0 BEAERN COC(=O)[C@H](N)c1c(Cl)cccc1Cl ZINC000037459752 348614459 /nfs/dbraw/zinc/61/44/59/348614459.db2.gz MCAFQQRDOMKZEG-MRVPVSSYSA-N 0 0 234.082 2.166 10 0 BEAERN Cc1csc(S[C@H]2CCC[C@@H]2O)n1 ZINC000037490325 348622923 /nfs/dbraw/zinc/62/29/23/348622923.db2.gz MVNANTIYUQZANY-YUMQZZPRSA-N 0 0 215.343 2.457 10 0 BEAERN Cc1ccsc1-c1nc(C)cc(=O)[nH]1 ZINC000037504329 348628036 /nfs/dbraw/zinc/62/80/36/348628036.db2.gz ASAPIHSUWGXOTN-UHFFFAOYSA-N 0 0 206.270 2.115 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]1(C)CC1CCCC1 ZINC000669383744 538009732 /nfs/dbraw/zinc/00/97/32/538009732.db2.gz WLRWYSXLALRUFE-JQWIXIFHSA-N 0 0 212.289 2.287 10 0 BEAERN Nc1cn(Cc2ccc(F)c(Cl)c2)cn1 ZINC000725247424 538011168 /nfs/dbraw/zinc/01/11/68/538011168.db2.gz VSUZZFIJHINOBV-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12CCCC21CCC1 ZINC000669383563 538011419 /nfs/dbraw/zinc/01/14/19/538011419.db2.gz JKLCVVMYSPACMS-QWHCGFSZSA-N 0 0 224.300 2.431 10 0 BEAERN COc1cccc(C2(O)CCSCC2)c1 ZINC000084423262 348808414 /nfs/dbraw/zinc/80/84/14/348808414.db2.gz MHYCBOGOLMDINE-UHFFFAOYSA-N 0 0 224.325 2.410 10 0 BEAERN COC(=O)[C@@]1(CC(C)C)O[C@@]1(C)C(C)C ZINC000669384055 538013284 /nfs/dbraw/zinc/01/32/84/538013284.db2.gz MZGRQABBEGKEJC-NWDGAFQWSA-N 0 0 214.305 2.389 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]1(C)CC1CCC1 ZINC000669384131 538011991 /nfs/dbraw/zinc/01/19/91/538011991.db2.gz OFEKBABIKSHDAI-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]1(C)CC1CCCC1 ZINC000669383606 538012337 /nfs/dbraw/zinc/01/23/37/538012337.db2.gz TUGKKDKHVXIVLL-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ccc2c(ccc(C)c2S(N)(=O)=O)c1 ZINC000669384122 538012740 /nfs/dbraw/zinc/01/27/40/538012740.db2.gz OBGPTIYTEDRRRG-UHFFFAOYSA-N 0 0 235.308 2.104 10 0 BEAERN COC(=O)[C@]1(CC(C)C)O[C@]1(C)C(C)C ZINC000669384054 538012871 /nfs/dbraw/zinc/01/28/71/538012871.db2.gz MZGRQABBEGKEJC-NEPJUHHUSA-N 0 0 214.305 2.389 10 0 BEAERN CCC[C@@]1(CC)O[C@@]1(CC)C(=O)OC ZINC000669384321 538014865 /nfs/dbraw/zinc/01/48/65/538014865.db2.gz SVFDZQRVCOZILG-MNOVXSKESA-N 0 0 200.278 2.287 10 0 BEAERN COC(=O)[C@H]1O[C@@]12CCC21CCCCC1 ZINC000669384446 538015796 /nfs/dbraw/zinc/01/57/96/538015796.db2.gz WALRWHBWTGMGKK-SKDRFNHKSA-N 0 0 210.273 2.041 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12CC1CCC2CC1 ZINC000669384460 538015388 /nfs/dbraw/zinc/01/53/88/538015388.db2.gz WJNJWPWYAOYFEP-XYJRBWASSA-N 0 0 224.300 2.287 10 0 BEAERN CC[C@@]1(C(=O)OC)OC12C[C@H]1CC[C@@H](C2)S1 ZINC000669384417 538015500 /nfs/dbraw/zinc/01/55/00/538015500.db2.gz VONBNYMOTSJNRL-BTTNHGBXSA-N 0 0 242.340 2.135 10 0 BEAERN CCC[C@]1(CC)O[C@]1(CC)C(=O)OC ZINC000669384323 538015572 /nfs/dbraw/zinc/01/55/72/538015572.db2.gz SVFDZQRVCOZILG-WDEREUQCSA-N 0 0 200.278 2.287 10 0 BEAERN C[C@H]1CCC[C@H](n2ccc(=O)c(N)c2)C1 ZINC000725249177 538019425 /nfs/dbraw/zinc/01/94/25/538019425.db2.gz VRVKFRNXANXZIQ-UWVGGRQHSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@@H]1CCC[C@H](n2cc(N)ccc2=O)C1 ZINC000725249199 538019845 /nfs/dbraw/zinc/01/98/45/538019845.db2.gz ZDHCCBKQROTCQO-KOLCDFICSA-N 0 0 206.289 2.182 10 0 BEAERN Cc1c(N)cnn1[C@@H](C)c1ccccc1 ZINC000725249468 538020764 /nfs/dbraw/zinc/02/07/64/538020764.db2.gz WYKMHIRLDWWKFL-VIFPVBQESA-N 0 0 201.273 2.383 10 0 BEAERN CCc1ccccc1Cn1cc(N)cn1 ZINC000725249839 538023304 /nfs/dbraw/zinc/02/33/04/538023304.db2.gz KKVAYSXQKJPHCT-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN [NH3+]Cc1c(C2CC2)cc(C2CC2)[nH]c1=O ZINC000616574743 349081129 /nfs/dbraw/zinc/08/11/29/349081129.db2.gz XDBPQGIZEPPDEV-UHFFFAOYSA-N 0 0 204.273 2.001 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000616574853 349082243 /nfs/dbraw/zinc/08/22/43/349082243.db2.gz ZERXVSHVLKLRSC-MCIONIFRSA-N 0 0 245.322 2.229 10 0 BEAERN CCOc1ccc(OC(F)(F)F)cc1CO ZINC000616575542 349091214 /nfs/dbraw/zinc/09/12/14/349091214.db2.gz DWMMIJJUPKZIHT-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CC(C)(C)Cc1noc(-c2cc3n(n2)CCC3)n1 ZINC000333882110 538037447 /nfs/dbraw/zinc/03/74/47/538037447.db2.gz WMOHCJYMCMZYPN-UHFFFAOYSA-N 0 0 246.314 2.468 10 0 BEAERN CC(C)(C)OC(=O)C(=O)c1ccc(F)cc1 ZINC000616582091 349291883 /nfs/dbraw/zinc/29/18/83/349291883.db2.gz BHCKKUGZTFMRSM-UHFFFAOYSA-N 0 0 224.231 2.350 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000036733472 179829577 /nfs/dbraw/zinc/82/95/77/179829577.db2.gz CKWKRTQETMJLKN-HBNTYKKESA-N 0 0 233.315 2.401 10 0 BEAERN CCN(CC)c1nc2cc(OC)ccc2c(=O)[nH]1 ZINC000253613332 349258294 /nfs/dbraw/zinc/25/82/94/349258294.db2.gz GABXFFCDZMXBSB-UHFFFAOYSA-N 0 0 247.298 2.190 10 0 BEAERN Cc1[nH]nc2ccnc(OCC(F)(F)F)c12 ZINC000089220173 179840965 /nfs/dbraw/zinc/84/09/65/179840965.db2.gz HGBJJMKCULGACK-UHFFFAOYSA-N 0 0 231.177 2.207 10 0 BEAERN C[C@@H]1OCC[C@]12S[C@H]1CCO[C@@]1(C)S2 ZINC000212539314 349340610 /nfs/dbraw/zinc/34/06/10/349340610.db2.gz LGPJANFPSFABDB-AATLWQCWSA-N 0 0 232.370 2.477 10 0 endogenous,in-man BEAERN Cc1nc(C(C)C)sc1C(N)=S ZINC000082418998 179897281 /nfs/dbraw/zinc/89/72/81/179897281.db2.gz HKAGPEJMVXZLBA-UHFFFAOYSA-N 0 0 200.332 2.209 10 0 BEAERN Nc1ccc2[nH]nc(-c3cccnc3)c2c1 ZINC000031991952 190984442 /nfs/dbraw/zinc/98/44/42/190984442.db2.gz XEWKAEBHIWNHQU-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN Cc1nc(-c2ccc(O)c(N)c2)cs1 ZINC000071495053 179864665 /nfs/dbraw/zinc/86/46/65/179864665.db2.gz YUTGUJWKCVRUNP-UHFFFAOYSA-N 0 0 206.270 2.406 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1C(F)F ZINC000616583590 349317103 /nfs/dbraw/zinc/31/71/03/349317103.db2.gz DSSPQJYTAHAEKF-JTQLQIEISA-N 0 0 226.226 2.099 10 0 BEAERN CC(=O)N1C[C@@H](c2cnco2)Nc2ccccc21 ZINC000616585109 349366310 /nfs/dbraw/zinc/36/63/10/349366310.db2.gz USSHWQLGLMMUEP-NSHDSACASA-N 0 0 243.266 2.194 10 0 BEAERN COc1ncccc1[C@H](O)c1ccccc1 ZINC000061445537 349368453 /nfs/dbraw/zinc/36/84/53/349368453.db2.gz YATCYESADUSWHR-GFCCVEGCSA-N 0 0 215.252 2.172 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ccnnc1 ZINC000616585463 349374453 /nfs/dbraw/zinc/37/44/53/349374453.db2.gz QRZZYSCSPNAXTL-ZDUSSCGKSA-N 0 0 226.283 2.080 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@H](C)[C@@H](C)C2)n1 ZINC000336401187 179916396 /nfs/dbraw/zinc/91/63/96/179916396.db2.gz QJEPSIDVHUAUOQ-YUMQZZPRSA-N 0 0 223.295 2.325 10 0 BEAERN CCc1nsc(NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000083669523 190996803 /nfs/dbraw/zinc/99/68/03/190996803.db2.gz QGQWDRFNTOTENB-IUCAKERBSA-N 0 0 241.360 2.064 10 0 BEAERN O=c1cc(O)cc(-c2ccccc2F)[nH]1 ZINC000616590888 350017945 /nfs/dbraw/zinc/01/79/45/350017945.db2.gz LZWJOAAPGUTRHC-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN CC(=O)N1CC[C@@H](c2cc[nH]n2)c2ccccc21 ZINC000616586909 349414787 /nfs/dbraw/zinc/41/47/87/349414787.db2.gz MMNLTHCSUSWFAJ-LLVKDONJSA-N 0 0 241.294 2.298 10 0 BEAERN COC(=O)[C@H]1C=C[C@@H](n2c(C)ccc2C)C1 ZINC000072191358 191004420 /nfs/dbraw/zinc/00/44/20/191004420.db2.gz UBNQRXPWESAWSF-NWDGAFQWSA-N 0 0 219.284 2.395 10 0 BEAERN Brc1nccc(-c2ccccn2)n1 ZINC000072204615 191004853 /nfs/dbraw/zinc/00/48/53/191004853.db2.gz PHEVFWRSJCCUDR-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Nc1ccc2c(c1)onc2C(F)(F)F ZINC000083283934 191007075 /nfs/dbraw/zinc/00/70/75/191007075.db2.gz UPDHTDDLZXQPHS-UHFFFAOYSA-N 0 0 202.135 2.429 10 0 BEAERN CCOC(=O)C(C)(C)[C@@]1(O)CC[C@H](C)C1 ZINC000070766928 350058406 /nfs/dbraw/zinc/05/84/06/350058406.db2.gz OTCVEBBINGITSH-JOYOIKCWSA-N 0 0 214.305 2.127 10 0 BEAERN C[NH2+][C@]1(C(=O)[O-])C[C@H](C)CC[C@@H]1C(C)C ZINC000217778391 350072321 /nfs/dbraw/zinc/07/23/21/350072321.db2.gz DZSABYUNKXUJLX-CKYFFXLPSA-N 0 0 213.321 2.121 10 0 BEAERN COC1(C(=O)c2cccnc2)CCCC1 ZINC000128743012 350103527 /nfs/dbraw/zinc/10/35/27/350103527.db2.gz VUHRVIZFLMSDLJ-UHFFFAOYSA-N 0 0 205.257 2.224 10 0 BEAERN Cc1nc(Cl)ccc1C(=O)N[C@H]1C[C@@H]1C ZINC000123360748 179990157 /nfs/dbraw/zinc/99/01/57/179990157.db2.gz LNDKGJFXEADBDU-RCOVLWMOSA-N 0 0 224.691 2.182 10 0 BEAERN Cc1nc(NC(=O)C[C@H](O)C(C)C)sc1C ZINC000178900650 180007403 /nfs/dbraw/zinc/00/74/03/180007403.db2.gz UVMNVTLPHGSGHF-VIFPVBQESA-N 0 0 242.344 2.105 10 0 BEAERN CCC1(CNC(=O)N[C@H]2CCO[C@H]2C)CCC1 ZINC000131555052 191015759 /nfs/dbraw/zinc/01/57/59/191015759.db2.gz KLLCYSOTGFDDNH-QWRGUYRKSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1nc([C@@H](N)c2cccc(C)c2C)no1 ZINC000049796257 180040437 /nfs/dbraw/zinc/04/04/37/180040437.db2.gz JRNCQSPZKHSDPP-NSHDSACASA-N 0 0 217.272 2.043 10 0 BEAERN Cc1nc([C@@H](N)c2cccnc2)sc1C ZINC000019929969 180040521 /nfs/dbraw/zinc/04/05/21/180040521.db2.gz TUSRSEWRNXAPEW-JTQLQIEISA-N 0 0 219.313 2.203 10 0 BEAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)no1 ZINC000336602759 180042514 /nfs/dbraw/zinc/04/25/14/180042514.db2.gz NPAJXKFMUUGRCB-NSHDSACASA-N 0 0 249.314 2.232 10 0 BEAERN Cc1nc([C@H](C)Nc2ccn(C)n2)cs1 ZINC000037471938 180052702 /nfs/dbraw/zinc/05/27/02/180052702.db2.gz FTQWASCWVALWLL-ZETCQYMHSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nc([C@H](N)c2ccc(C)c(C)c2)no1 ZINC000037180335 180053279 /nfs/dbraw/zinc/05/32/79/180053279.db2.gz PEKCWRWFEKNUMC-LLVKDONJSA-N 0 0 217.272 2.043 10 0 BEAERN Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1N ZINC000219445619 350126985 /nfs/dbraw/zinc/12/69/85/350126985.db2.gz MKHJHYQEDJSTPZ-IUCAKERBSA-N 0 0 233.246 2.453 10 0 BEAERN CC[C@@H](NC(=O)[C@@H](C)SC)C(C)C ZINC000057413695 350127107 /nfs/dbraw/zinc/12/71/07/350127107.db2.gz HJMCOEJXTPYFJC-RKDXNWHRSA-N 0 0 203.351 2.289 10 0 BEAERN Cc1nc2cc(NC(=O)C3CC(=O)C3)ccc2o1 ZINC000136185516 180082623 /nfs/dbraw/zinc/08/26/23/180082623.db2.gz QPWMIXDBVHWEHS-UHFFFAOYSA-N 0 0 244.250 2.054 10 0 BEAERN Cc1nc2cc(NCc3ncc[nH]3)ccc2o1 ZINC000049714714 180084276 /nfs/dbraw/zinc/08/42/76/180084276.db2.gz TYTYPGIOGVZUDE-UHFFFAOYSA-N 0 0 228.255 2.471 10 0 BEAERN CS[C@@H](C)CNC(=O)NC1CCCCC1 ZINC000132207039 191027499 /nfs/dbraw/zinc/02/74/99/191027499.db2.gz ORZIQXFQAQHWLT-VIFPVBQESA-N 0 0 230.377 2.370 10 0 BEAERN Cc1nc2c(c(N[C@@H]3CCO[C@@H]3C)n1)CCCC2 ZINC000292170616 180069956 /nfs/dbraw/zinc/06/99/56/180069956.db2.gz DRJWIIRCOZVIIK-BXKDBHETSA-N 0 0 247.342 2.253 10 0 BEAERN Cc1nc2c(c(N[C@H]3CCO[C@@H]3C)n1)CCCC2 ZINC000302069627 180070322 /nfs/dbraw/zinc/07/03/22/180070322.db2.gz DRJWIIRCOZVIIK-SKDRFNHKSA-N 0 0 247.342 2.253 10 0 BEAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccco1 ZINC000090227002 180111365 /nfs/dbraw/zinc/11/13/65/180111365.db2.gz IZARBMYDVIVBSV-KOLCDFICSA-N 0 0 246.314 2.365 10 0 BEAERN CCC1(NC(=O)NC[C@]2(C)CCCO2)CCC1 ZINC000133289272 191039378 /nfs/dbraw/zinc/03/93/78/191039378.db2.gz AZODFDMNDJYVRV-LBPRGKRZSA-N 0 0 240.347 2.187 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1CCCN1C(F)(F)F ZINC000725256487 538058233 /nfs/dbraw/zinc/05/82/33/538058233.db2.gz PWVXIZHHUZUOSZ-ZETCQYMHSA-N 0 0 239.237 2.312 10 0 BEAERN Cc1nc2ccccn2c1C(=O)N1CCCCC1 ZINC000000928599 180105720 /nfs/dbraw/zinc/10/57/20/180105720.db2.gz VRISOUFNBXZUFI-UHFFFAOYSA-N 0 0 243.310 2.269 10 0 BEAERN Cc1ccc([S@@](=O)N2CCCC2)cc1 ZINC000034077583 350170300 /nfs/dbraw/zinc/17/03/00/350170300.db2.gz YMGOUJBGKNWBTR-AWEZNQCLSA-N 0 0 209.314 2.113 10 0 BEAERN O=C(CC(=O)C1CCC1)OCc1ccccc1 ZINC000034416731 350170563 /nfs/dbraw/zinc/17/05/63/350170563.db2.gz ZBDPVUWWBYWFNQ-UHFFFAOYSA-N 0 0 232.279 2.489 10 0 BEAERN CCCCC(=O)NC(=S)NC1CCCC1 ZINC000040898072 168617302 /nfs/dbraw/zinc/61/73/02/168617302.db2.gz DPGYOQJIGCYVQO-UHFFFAOYSA-N 0 0 228.361 2.110 10 0 BEAERN Cc1nc[nH]c1CNc1cccc(F)c1 ZINC000054793790 180121826 /nfs/dbraw/zinc/12/18/26/180121826.db2.gz DEQOVCJPDCTMLL-UHFFFAOYSA-N 0 0 205.236 2.469 10 0 BEAERN Cc1nc[nH]c1CNc1cccnc1Cl ZINC000054795147 180121932 /nfs/dbraw/zinc/12/19/32/180121932.db2.gz JVYAOQSMPBJROZ-UHFFFAOYSA-N 0 0 222.679 2.379 10 0 BEAERN OC[C@H]1COc2ccc(C(F)(F)F)cc2C1 ZINC000097757603 191060274 /nfs/dbraw/zinc/06/02/74/191060274.db2.gz KZFGQOOSYCBRGM-ZETCQYMHSA-N 0 0 232.201 2.249 10 0 BEAERN CC(C)c1nnc2nc(-c3ccccc3)cnn21 ZINC000033890824 350168292 /nfs/dbraw/zinc/16/82/92/350168292.db2.gz IMTFABUOPLELBG-UHFFFAOYSA-N 0 0 239.282 2.310 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1CCCCCCC1 ZINC000038095026 180163477 /nfs/dbraw/zinc/16/34/77/180163477.db2.gz ZRTXGNKDWVDKCY-UHFFFAOYSA-N 0 0 247.342 2.379 10 0 BEAERN Cc1ncc(N)cc1C(=O)N(C)c1ccccc1 ZINC000038094800 180164334 /nfs/dbraw/zinc/16/43/34/180164334.db2.gz XAQQBDIHLHMRGK-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000038094880 180164506 /nfs/dbraw/zinc/16/45/06/180164506.db2.gz KCMLHVOPXXHBLV-UWVGGRQHSA-N 0 0 247.342 2.090 10 0 BEAERN Cn1nccc1-c1oc(CC2CC2)cc1C=O ZINC000725257781 538068210 /nfs/dbraw/zinc/06/82/10/538068210.db2.gz WJDWOIHRBJZHAF-UHFFFAOYSA-N 0 0 230.267 2.445 10 0 BEAERN CCCCC(=O)NC(=S)N1CCCCC1 ZINC000040898052 168617805 /nfs/dbraw/zinc/61/78/05/168617805.db2.gz MIMYWLKCMMRFOF-UHFFFAOYSA-N 0 0 228.361 2.064 10 0 BEAERN Cc1nccc(NCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000282031812 180197959 /nfs/dbraw/zinc/19/79/59/180197959.db2.gz ZIBDVGFEQWWRKC-NXEZZACHSA-N 0 0 235.331 2.401 10 0 BEAERN Cc1nccc(Oc2cc(F)ccc2N)n1 ZINC000054936635 180207056 /nfs/dbraw/zinc/20/70/56/180207056.db2.gz KCKQBAVGHXMTQV-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1nnc(Sc2ccnc(Cl)n2)s1 ZINC000051850534 350228004 /nfs/dbraw/zinc/22/80/04/350228004.db2.gz AHBWNIAAPQQLAJ-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN Nc1cccc(-c2n[nH]c(C(F)(F)F)n2)c1 ZINC000072236800 350231811 /nfs/dbraw/zinc/23/18/11/350231811.db2.gz UVOIGZHJDCBVGJ-UHFFFAOYSA-N 0 0 228.177 2.073 10 0 BEAERN Cc1nccn1-c1ncc(Br)s1 ZINC000044116996 180229963 /nfs/dbraw/zinc/22/99/63/180229963.db2.gz UPIPHFAPBVERBF-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN Cc1nccn1CCC(=O)c1ccccc1 ZINC000066251289 180232367 /nfs/dbraw/zinc/23/23/67/180232367.db2.gz XJSSMWUQQPQWLN-UHFFFAOYSA-N 0 0 214.268 2.465 10 0 BEAERN C[C@H]1CC[C@H](O)CCN1C(=O)OC(C)(C)C ZINC000222931281 350256564 /nfs/dbraw/zinc/25/65/64/350256564.db2.gz LOOUDFIZGQFPMA-UWVGGRQHSA-N 0 0 229.320 2.157 10 0 BEAERN Cc1nccn1[C@H](C)C(=O)N1CCCCCC1 ZINC000104293061 180272489 /nfs/dbraw/zinc/27/24/89/180272489.db2.gz NJXVWMUJYNRSEX-LLVKDONJSA-N 0 0 235.331 2.155 10 0 BEAERN C[C@H]1C[C@H](C(C)(C)S(N)(=O)=O)C[C@@H](C)C1 ZINC000725261441 538086862 /nfs/dbraw/zinc/08/68/62/538086862.db2.gz NRAMMEBMWLITOW-MYJAWHEDSA-N 0 0 233.377 2.126 10 0 BEAERN CC(C)([C@@H]1CCCC(C)(C)C1)S(N)(=O)=O ZINC000725261426 538087175 /nfs/dbraw/zinc/08/71/75/538087175.db2.gz MIBQKHAPMGEHLM-SECBINFHSA-N 0 0 233.377 2.270 10 0 BEAERN CCCCC(=O)Nc1cc(CCC)[nH]n1 ZINC000109912793 168625853 /nfs/dbraw/zinc/62/58/53/168625853.db2.gz INNLWZRQCGMMGB-UHFFFAOYSA-N 0 0 209.293 2.491 10 0 BEAERN CCCc1nsc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000083653118 350271752 /nfs/dbraw/zinc/27/17/52/350271752.db2.gz QQQAKERUFLTLPY-RKDXNWHRSA-N 0 0 241.360 2.470 10 0 BEAERN Cc1nccn1Cc1ccc(O)c2ncccc12 ZINC000000265210 180267940 /nfs/dbraw/zinc/26/79/40/180267940.db2.gz CQTFYUCZBPGPIS-UHFFFAOYSA-N 0 0 239.278 2.494 10 0 BEAERN Cc1nccn1C[C@H]1CCCN1C(=O)CC(C)C ZINC000177190242 180269680 /nfs/dbraw/zinc/26/96/80/180269680.db2.gz PMSMFUXAFBXAFX-CYBMUJFWSA-N 0 0 249.358 2.229 10 0 BEAERN Cc1nccn1Cc1cc(C(N)=S)ccc1F ZINC000019431112 180269741 /nfs/dbraw/zinc/26/97/41/180269741.db2.gz WZRCPCMBJGIZSM-UHFFFAOYSA-N 0 0 249.314 2.013 10 0 BEAERN COc1ccc([C@@]2(CO)C[C@@H](F)C2)cc1 ZINC000725260858 538083957 /nfs/dbraw/zinc/08/39/57/538083957.db2.gz YCLRYBFQWFPTQU-KLPPZKSPSA-N 0 0 210.248 2.057 10 0 BEAERN Cc1ncn(CCOc2ccccc2N)c1C ZINC000051925960 180287948 /nfs/dbraw/zinc/28/79/48/180287948.db2.gz TZSINAZIXLGMPK-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN O[C@H]1CCCC[C@@H]1n1cc(Br)cn1 ZINC000038054719 350300964 /nfs/dbraw/zinc/30/09/64/350300964.db2.gz GJHKMCHQSPMGNB-IUCAKERBSA-N 0 0 245.120 2.122 10 0 BEAERN O=C(c1ncccn1)c1ccccc1Cl ZINC000038078369 350304817 /nfs/dbraw/zinc/30/48/17/350304817.db2.gz MEXNZUOOCNBUJU-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN Oc1ccc(S[C@@H]2CCC[C@@H]2O)cc1 ZINC000038078941 350305686 /nfs/dbraw/zinc/30/56/86/350305686.db2.gz VPXWPXKMPGJCKX-WDEREUQCSA-N 0 0 210.298 2.398 10 0 BEAERN Clc1ccc(NCC[C@H]2CCCO2)nn1 ZINC000038097456 350305821 /nfs/dbraw/zinc/30/58/21/350305821.db2.gz CJSSDHOIUYKSDK-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN C[C@@H](CO)Nc1cccc(Br)c1 ZINC000038118399 350307321 /nfs/dbraw/zinc/30/73/21/350307321.db2.gz MBQLLYGYMWYGAY-ZETCQYMHSA-N 0 0 230.105 2.242 10 0 BEAERN O=C(Cc1cccc(F)c1)[C@H]1CCCO1 ZINC000038126734 350307730 /nfs/dbraw/zinc/30/77/30/350307730.db2.gz RBOWGWYBRJRPMV-GFCCVEGCSA-N 0 0 208.232 2.116 10 0 BEAERN CC(=O)CCCCNC(=O)c1ccccc1C ZINC000224361241 350318944 /nfs/dbraw/zinc/31/89/44/350318944.db2.gz CWUJTTONMKOZMA-UHFFFAOYSA-N 0 0 233.311 2.484 10 0 BEAERN Cc1ncn(-c2cc(F)ccc2N)c1C ZINC000052122213 180284776 /nfs/dbraw/zinc/28/47/76/180284776.db2.gz XHPUUTKZEDSWFZ-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN CC(C)(Nc1cccc(Cl)c1)C(N)=O ZINC000037942484 350292617 /nfs/dbraw/zinc/29/26/17/350292617.db2.gz VQGRDRAERJHIPO-UHFFFAOYSA-N 0 0 212.680 2.016 10 0 BEAERN COc1ccc2c(c1)CCC(=O)C2(C)C ZINC000039246968 350336529 /nfs/dbraw/zinc/33/65/29/350336529.db2.gz TWUWJSIJBYYXEO-UHFFFAOYSA-N 0 0 204.269 2.488 10 0 BEAERN CC(C)(NC(=O)C1CCC1)c1ccc(N)cc1 ZINC000725264295 538090608 /nfs/dbraw/zinc/09/06/08/538090608.db2.gz HHEDULBJSLDRQO-UHFFFAOYSA-N 0 0 232.327 2.420 10 0 BEAERN O=C(c1ccc2[nH]cnc2c1)N1C[C@@H]2CCC[C@H]21 ZINC000606535728 350357408 /nfs/dbraw/zinc/35/74/08/350357408.db2.gz XPZZLYJSFYFFST-GXFFZTMASA-N 0 0 241.294 2.187 10 0 BEAERN Cc1ncsc1C(=O)N1CCS[C@@H](C)C1 ZINC000171570360 180302729 /nfs/dbraw/zinc/30/27/29/180302729.db2.gz HNYFKMVFUWKQFE-ZETCQYMHSA-N 0 0 242.369 2.029 10 0 BEAERN Cc1ncsc1CCOC(=O)c1cccnc1 ZINC000003189240 180310489 /nfs/dbraw/zinc/31/04/89/180310489.db2.gz YKUKJYDGTPSAJD-UHFFFAOYSA-N 0 0 248.307 2.246 10 0 BEAERN Cc1nn(C)c(C)c1CN(C)C(=O)CC(C)C ZINC000064761721 180336275 /nfs/dbraw/zinc/33/62/75/180336275.db2.gz OXQKXNMTGOMYBT-UHFFFAOYSA-N 0 0 237.347 2.041 10 0 BEAERN CCCn1nc(C(=O)OCC)c(C(C)C)c1N ZINC000725265323 538091518 /nfs/dbraw/zinc/09/15/18/538091518.db2.gz BETRWAOFXPDTAF-UHFFFAOYSA-N 0 0 239.319 2.175 10 0 BEAERN Cc1nn(-c2cccc(F)c2)c(N)c1C ZINC000045628388 180329183 /nfs/dbraw/zinc/32/91/83/180329183.db2.gz KYMRRGDPLAYXPU-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1nn(-c2ccccc2)c2cc[nH]c(=O)c12 ZINC000080443289 180330082 /nfs/dbraw/zinc/33/00/82/180330082.db2.gz URXIKHNNXWSXRE-UHFFFAOYSA-N 0 0 225.251 2.022 10 0 BEAERN Cc1nn(-c2ccccc2)c(OC(C)C)c1CO ZINC000040177281 180331131 /nfs/dbraw/zinc/33/11/31/180331131.db2.gz POOYBGRSJHXFHU-UHFFFAOYSA-N 0 0 246.310 2.460 10 0 BEAERN Cc1nn(C(C)(C)C)c(N)c1Br ZINC000043664957 180332774 /nfs/dbraw/zinc/33/27/74/180332774.db2.gz MWEVZBZPEFPREU-UHFFFAOYSA-N 0 0 232.125 2.291 10 0 BEAERN Cc1nn(-c2ncccc2Cl)c(C)c1N ZINC000040516648 180332891 /nfs/dbraw/zinc/33/28/91/180332891.db2.gz UZGJTQQBYWGLBS-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cc1nn(C)c(O[C@H](C)c2ccccc2)c1N ZINC000036749549 180360062 /nfs/dbraw/zinc/36/00/62/180360062.db2.gz YLNZPVOMLQKRFR-SNVBAGLBSA-N 0 0 231.299 2.451 10 0 BEAERN Cc1nn(C)c(CCc2ccccc2)c1C=O ZINC000095938023 180348635 /nfs/dbraw/zinc/34/86/35/180348635.db2.gz KEPIHYYBBZNACO-UHFFFAOYSA-N 0 0 228.295 2.326 10 0 BEAERN Cc1nn(C)c(N(C)Cc2cccc(F)c2)c1N ZINC000036749003 180351145 /nfs/dbraw/zinc/35/11/45/180351145.db2.gz CVTCOTKXXKURHA-UHFFFAOYSA-N 0 0 248.305 2.086 10 0 BEAERN Cc1nn(C)c(N(C)[C@H](C)C(C)(C)C)c1N ZINC000042739633 180353902 /nfs/dbraw/zinc/35/39/02/180353902.db2.gz ZJWYADQKRGQANH-SECBINFHSA-N 0 0 224.352 2.182 10 0 BEAERN Cc1nn(C)c(NCCC2CCCC2)c1N ZINC000037741131 180359038 /nfs/dbraw/zinc/35/90/38/180359038.db2.gz CWYFZGAIMIHYBG-UHFFFAOYSA-N 0 0 222.336 2.303 10 0 BEAERN COc1ccccc1-c1cc(O)cc(=O)[nH]1 ZINC000616591766 350414776 /nfs/dbraw/zinc/41/47/76/350414776.db2.gz RALYAPXMPNTJCE-UHFFFAOYSA-N 0 0 217.224 2.168 10 0 BEAERN Cc1nn(C)c(N[C@@H]2CCC[C@H](C)C2)c1N ZINC000036749327 180360611 /nfs/dbraw/zinc/36/06/11/180360611.db2.gz OTVJXEDEMJKOIA-WCBMZHEXSA-N 0 0 222.336 2.301 10 0 BEAERN Cc1nn(C2CCSCC2)c(N)c1Cl ZINC000043668000 180385298 /nfs/dbraw/zinc/38/52/98/180385298.db2.gz LTCBAJNIMVMJKK-UHFFFAOYSA-N 0 0 231.752 2.495 10 0 BEAERN CC(C)n1c(=O)[nH]c(=S)cc1-c1ccco1 ZINC000409437408 350481308 /nfs/dbraw/zinc/48/13/08/350481308.db2.gz GIMBVJPWCGEJGH-UHFFFAOYSA-N 0 0 236.296 2.373 10 0 BEAERN OCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000409441937 350482173 /nfs/dbraw/zinc/48/21/73/350482173.db2.gz VHWBEYOYLSEXES-UHFFFAOYSA-N 0 0 234.324 2.481 10 0 BEAERN CC(C)c1[nH]nc(C(F)(F)F)c1CO ZINC000409442066 350482420 /nfs/dbraw/zinc/48/24/20/350482420.db2.gz WJHMDCAWISOINA-UHFFFAOYSA-N 0 0 208.183 2.044 10 0 BEAERN Cc1nc2ccccc2n1-c1nnc(C)c(C)n1 ZINC000090411600 180396327 /nfs/dbraw/zinc/39/63/27/180396327.db2.gz RPYXQOQJXJIWFE-UHFFFAOYSA-N 0 0 239.282 2.136 10 0 BEAERN O=Cc1ccc(-c2n[nH]c3c2COCC3)cc1F ZINC000725265763 538094079 /nfs/dbraw/zinc/09/40/79/538094079.db2.gz ZGSBDQNGMMZFCS-UHFFFAOYSA-N 0 0 246.241 2.101 10 0 BEAERN Cc1nn(CCC(C)C)c(N)c1Cl ZINC000043665115 180387695 /nfs/dbraw/zinc/38/76/95/180387695.db2.gz RCHJJTCXFXHXOI-UHFFFAOYSA-N 0 0 201.701 2.473 10 0 BEAERN Cc1[nH]n(CCc2ccccc2)c2cnnc1-2 ZINC000045921159 180389710 /nfs/dbraw/zinc/38/97/10/180389710.db2.gz HWERXLDPRUQZKE-UHFFFAOYSA-N 0 0 226.283 2.311 10 0 BEAERN C[C@@H]1CSCCN1c1ccnc(F)c1 ZINC000227644466 350505994 /nfs/dbraw/zinc/50/59/94/350505994.db2.gz BWQOMOXSQGRCFO-MRVPVSSYSA-N 0 0 212.293 2.162 10 0 BEAERN CC(=O)c1nc([C@@H]2SCCS[C@H]2C)no1 ZINC000228187994 350531933 /nfs/dbraw/zinc/53/19/33/350531933.db2.gz MSUJHSONMAOHSK-NKWVEPMBSA-N 0 0 244.341 2.182 10 0 BEAERN CC[C@@H]1SCCS[C@@H]1C(=N)OC ZINC000228173810 350531961 /nfs/dbraw/zinc/53/19/61/350531961.db2.gz WBEYZNYVBNRVRC-BQBZGAKWSA-N 0 0 205.348 2.237 10 0 BEAERN Cc1ccc(-c2nncn2C)cc1Cl ZINC000228237720 350534503 /nfs/dbraw/zinc/53/45/03/350534503.db2.gz RFIPKYBTXWZIFC-UHFFFAOYSA-N 0 0 207.664 2.444 10 0 BEAERN CCN(CC)c1ccc2c(c1)O[C@@H](C(=O)OC)C2 ZINC000725266466 538095313 /nfs/dbraw/zinc/09/53/13/538095313.db2.gz VIRKSKPPTKCWHF-CYBMUJFWSA-N 0 0 249.310 2.009 10 0 BEAERN CC(C)c1nnc(CN2[C@@H](C)CC[C@@H]2C)n1C ZINC000177095144 365970472 /nfs/dbraw/zinc/97/04/72/365970472.db2.gz VNDZRPPBLJFPNL-QWRGUYRKSA-N 0 0 236.363 2.311 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H]1CCCC12CC2 ZINC000725266584 538095466 /nfs/dbraw/zinc/09/54/66/538095466.db2.gz RLYYEQDVEVZJRE-MRVPVSSYSA-N 0 0 235.287 2.029 10 0 BEAERN Cc1nnc(CSc2ccc(N)cc2)o1 ZINC000037182424 180417805 /nfs/dbraw/zinc/41/78/05/180417805.db2.gz GRZAQDKJZMIJRQ-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CCCSCC(=O)c1ccc(O)cc1O ZINC000037353500 362967362 /nfs/dbraw/zinc/96/73/62/362967362.db2.gz KNBDUKYTSZWIHW-UHFFFAOYSA-N 0 0 226.297 2.424 10 0 BEAERN CC[C@@H](NN)c1cccc(Cl)c1F ZINC000228972139 350562882 /nfs/dbraw/zinc/56/28/82/350562882.db2.gz GJLXBUTUTABHGW-MRVPVSSYSA-N 0 0 202.660 2.394 10 0 BEAERN O=C1C[C@@H](c2cc(F)cc(Cl)c2)CN1 ZINC000159487790 350603279 /nfs/dbraw/zinc/60/32/79/350603279.db2.gz MYKRJJNYHXRCSB-SSDOTTSWSA-N 0 0 213.639 2.083 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1[C@H]1CC12CC2 ZINC000725266395 538096030 /nfs/dbraw/zinc/09/60/30/538096030.db2.gz UDVPXBUXBHKZJG-SSDOTTSWSA-N 0 0 235.287 2.028 10 0 BEAERN COc1cccc([C@@H]2CCN(C(C)=O)CCO2)c1 ZINC000616595023 350598452 /nfs/dbraw/zinc/59/84/52/350598452.db2.gz RWBWTEQSAIZXPC-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CNc1cccc([C@@H]2COCCC[N@@H+]2C)c1 ZINC000616597265 350650015 /nfs/dbraw/zinc/65/00/15/350650015.db2.gz OSGCVOXGFJYMNT-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN Cc1noc(COc2ccccc2[C@@H](C)O)n1 ZINC000035626935 180490700 /nfs/dbraw/zinc/49/07/00/180490700.db2.gz MOWRPTSBERBCSJ-MRVPVSSYSA-N 0 0 234.255 2.010 10 0 BEAERN CCc1ccc2c(c1)C[C@H](O)[C@@H](C(C)(C)OC)N2 ZINC000725267832 538098945 /nfs/dbraw/zinc/09/89/45/538098945.db2.gz AGHYLRHKJNBUSV-KBPBESRZSA-N 0 0 249.354 2.372 10 0 BEAERN Cc1csc([C@H](O)Cc2nccs2)n1 ZINC000159491789 350762147 /nfs/dbraw/zinc/76/21/47/350762147.db2.gz XKXUZJZCJBFBSG-SSDOTTSWSA-N 0 0 226.326 2.184 10 0 BEAERN Cc1ncn(CC(=O)c2cccs2)c1C ZINC000051927300 350726441 /nfs/dbraw/zinc/72/64/41/350726441.db2.gz YUNJPQSBDNLODU-UHFFFAOYSA-N 0 0 220.297 2.444 10 0 BEAERN Cc1nc(-c2ccc(F)c(F)c2)cc(=O)[nH]1 ZINC000235950141 350727376 /nfs/dbraw/zinc/72/73/76/350727376.db2.gz FRHJVRJHEQGICN-UHFFFAOYSA-N 0 0 222.194 2.024 10 0 BEAERN Cc1cccc2cc(NN)c([C@H]3CCOC3)nc12 ZINC000725267971 538099469 /nfs/dbraw/zinc/09/94/69/538099469.db2.gz DHEXTQWYYBYJJA-NSHDSACASA-N 0 0 243.310 2.333 10 0 BEAERN CC[C@@H](O)Cc1ncccc1Br ZINC000063039067 350787478 /nfs/dbraw/zinc/78/74/78/350787478.db2.gz QWFXFUMJKGETBA-SSDOTTSWSA-N 0 0 230.105 2.158 10 0 BEAERN Cc1cccc2c1N[C@@H](C1CCOCC1)[C@@H](O)C2 ZINC000725268113 538099319 /nfs/dbraw/zinc/09/93/19/538099319.db2.gz KFPWRXFSHHKHTF-ZFWWWQNUSA-N 0 0 247.338 2.119 10 0 BEAERN CC(C)(C)[C@H]1CCCCCN1S(C)(=O)=O ZINC000616604452 350793391 /nfs/dbraw/zinc/79/33/91/350793391.db2.gz DBTOEFOZJZZRNM-SNVBAGLBSA-N 0 0 233.377 2.237 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ccnnc2)C1 ZINC000616603986 350795722 /nfs/dbraw/zinc/79/57/22/350795722.db2.gz YLUOQQWTQFJTST-LBPRGKRZSA-N 0 0 249.314 2.203 10 0 BEAERN CCOC(=O)N1CC[C@H](c2ccccn2)C1 ZINC000616609796 350805285 /nfs/dbraw/zinc/80/52/85/350805285.db2.gz BQPOCOBMXWHTSX-JTQLQIEISA-N 0 0 220.272 2.027 10 0 BEAERN CC(=O)N1CCC[C@H]1c1cccc2ccnnc21 ZINC000616610916 350807161 /nfs/dbraw/zinc/80/71/61/350807161.db2.gz ZSDNQEQKQWBJES-ZDUSSCGKSA-N 0 0 241.294 2.313 10 0 BEAERN COc1cccc([C@@H]2CCN(C(C)=O)C2)c1 ZINC000616611552 350809031 /nfs/dbraw/zinc/80/90/31/350809031.db2.gz GXFQPJXIKBGKSX-GFCCVEGCSA-N 0 0 219.284 2.031 10 0 BEAERN NC(=O)N1CC[C@@H](c2cncc3ccccc32)C1 ZINC000616611084 350810252 /nfs/dbraw/zinc/81/02/52/350810252.db2.gz AGIDULCZLJIREZ-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN C[C@H]1CCO[C@@H]1C(=O)c1ccccc1F ZINC000167933915 350811505 /nfs/dbraw/zinc/81/15/05/350811505.db2.gz KLTATDJEPUHIGU-UFBFGSQYSA-N 0 0 208.232 2.433 10 0 BEAERN Cc1csc([C@H](O)Cc2cncs2)n1 ZINC000159518952 350837341 /nfs/dbraw/zinc/83/73/41/350837341.db2.gz WKNDNFDXGVYNCB-MRVPVSSYSA-N 0 0 226.326 2.184 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncc(Cl)s1 ZINC000306686450 350842856 /nfs/dbraw/zinc/84/28/56/350842856.db2.gz GHPJZCCPSDAAAO-RITPCOANSA-N 0 0 218.709 2.386 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ccncn1 ZINC000616615067 350844510 /nfs/dbraw/zinc/84/45/10/350844510.db2.gz BDUGKHGFXCSCDR-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN C[C@@]1(CNN2CCCCC2)CCCS1 ZINC000306698441 350847565 /nfs/dbraw/zinc/84/75/65/350847565.db2.gz CPOWFKPREBTVSP-NSHDSACASA-N 0 0 214.378 2.263 10 0 BEAERN CCNc1cnc(-c2ccsn2)cn1 ZINC000306698990 350848650 /nfs/dbraw/zinc/84/86/50/350848650.db2.gz DHHLLYZZXLHAEU-UHFFFAOYSA-N 0 0 206.274 2.032 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ncccn1 ZINC000616616045 350853153 /nfs/dbraw/zinc/85/31/53/350853153.db2.gz YHLCOFYULJOTMI-JTQLQIEISA-N 0 0 235.287 2.160 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616466 350855307 /nfs/dbraw/zinc/85/53/07/350855307.db2.gz UYTPSNVGJWVGRY-AWEZNQCLSA-N 0 0 233.311 2.252 10 0 BEAERN CCCc1noc(-c2cccc(O)c2)n1 ZINC000022120099 350855806 /nfs/dbraw/zinc/85/58/06/350855806.db2.gz MFVALGPDOXIVGD-UHFFFAOYSA-N 0 0 204.229 2.395 10 0 BEAERN CC1(C)NC(=O)C[C@@H]1[C@@]1(C)CCCS1 ZINC000306708501 350856469 /nfs/dbraw/zinc/85/64/69/350856469.db2.gz OFJJXYSZSUYLTC-GZMMTYOYSA-N 0 0 213.346 2.187 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1OC(F)(F)F ZINC000616616808 350857631 /nfs/dbraw/zinc/85/76/31/350857631.db2.gz QZKVWKSVIPMETE-SSDOTTSWSA-N 0 0 241.209 2.491 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccccc2N)C1 ZINC000616617539 350869063 /nfs/dbraw/zinc/86/90/63/350869063.db2.gz STBAFSGKWHJNBK-JTQLQIEISA-N 0 0 234.299 2.215 10 0 BEAERN CCOC(=O)c1cnc(C)cc1Br ZINC000306709631 350859138 /nfs/dbraw/zinc/85/91/38/350859138.db2.gz PVQRXUDFSGHAON-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccncc2)C1 ZINC000616617047 350861134 /nfs/dbraw/zinc/86/11/34/350861134.db2.gz CUMGTLCAJLXYHS-LBPRGKRZSA-N 0 0 234.299 2.418 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cocn2)C1 ZINC000616617134 350861771 /nfs/dbraw/zinc/86/17/71/350861771.db2.gz IQYMTGMMMMCEJD-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN C[C@H](NC1=N[C@@H](C)CS1)C(C)(F)F ZINC000306729804 350899147 /nfs/dbraw/zinc/89/91/47/350899147.db2.gz DETYKLYXUNFBOB-WDSKDSINSA-N 0 0 208.277 2.111 10 0 BEAERN Cc1nc(Br)cc(NCCCF)n1 ZINC000306730521 350900144 /nfs/dbraw/zinc/90/01/44/350900144.db2.gz PMSQMIZQKQCFAT-UHFFFAOYSA-N 0 0 248.099 2.319 10 0 BEAERN CC(C)[C@@](C)(Nc1nc(Cl)cs1)C(N)=O ZINC000306732106 350902622 /nfs/dbraw/zinc/90/26/22/350902622.db2.gz GWTGJJNQMUYAIO-SECBINFHSA-N 0 0 247.751 2.108 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@]1([NH3+])CC(=O)[O-] ZINC000252205566 350910214 /nfs/dbraw/zinc/91/02/14/350910214.db2.gz XCIRRFCUYNRPPS-FOGDFJRCSA-N 0 0 213.321 2.251 10 0 BEAERN COC1(c2nc(CO)cs2)CCCC1 ZINC000128959916 350919857 /nfs/dbraw/zinc/91/98/57/350919857.db2.gz RLDBJMGCYWYGKM-UHFFFAOYSA-N 0 0 213.302 2.051 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccccc2CO)C1 ZINC000616618759 350925159 /nfs/dbraw/zinc/92/51/59/350925159.db2.gz XACBSWUXQBXVJC-LLVKDONJSA-N 0 0 249.310 2.125 10 0 BEAERN CCNc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000008147845 350929187 /nfs/dbraw/zinc/92/91/87/350929187.db2.gz LWHGOMAVGFRIIC-UHFFFAOYSA-N 0 0 249.701 2.318 10 0 BEAERN Cc1cc(C(=O)[C@H](N)c2cccs2)sn1 ZINC000306712441 350873541 /nfs/dbraw/zinc/87/35/41/350873541.db2.gz UDXOOMBERNFTNV-SECBINFHSA-N 0 0 238.337 2.396 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000250662915 350885154 /nfs/dbraw/zinc/88/51/54/350885154.db2.gz GJTHEBXZSZBFKM-GMOBBJLQSA-N 0 0 212.289 2.143 10 0 BEAERN CC(=O)c1cnc(C[C@H]2CCCCO2)s1 ZINC000129046455 350964727 /nfs/dbraw/zinc/96/47/27/350964727.db2.gz FRQKCIGDHOOQPC-SECBINFHSA-N 0 0 225.313 2.457 10 0 BEAERN O[C@@H](Cc1cncs1)c1cccs1 ZINC000159662728 350967494 /nfs/dbraw/zinc/96/74/94/350967494.db2.gz YEXRXSUMVWLBNI-QMMMGPOBSA-N 0 0 211.311 2.481 10 0 BEAERN Nc1cc(CN2CCC2)ccc1Br ZINC000306758750 350967987 /nfs/dbraw/zinc/96/79/87/350967987.db2.gz VLGWLUMKLZNZDC-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2cccc(OC)c2C[C@@H]1O ZINC000725268121 538099795 /nfs/dbraw/zinc/09/97/95/538099795.db2.gz KORBCDRVELFZGW-WFBYXXMGSA-N 0 0 235.327 2.439 10 0 BEAERN C[C@@H]([C@H]1CCCCO1)n1cc[nH]c1=S ZINC000306771553 351007900 /nfs/dbraw/zinc/00/79/00/351007900.db2.gz CMXPSWQEUWCMAY-DTWKUNHWSA-N 0 0 212.318 2.302 10 0 BEAERN C[C@H]1SCCC[C@]1(O)Cc1cncs1 ZINC000159673801 350971621 /nfs/dbraw/zinc/97/16/21/350971621.db2.gz JCGQHVCOXIICFO-SCZZXKLOSA-N 0 0 229.370 2.332 10 0 BEAERN CN(c1nc(Cl)ns1)C1CCC1 ZINC000306760057 350973427 /nfs/dbraw/zinc/97/34/27/350973427.db2.gz VYEFBTGPIZLLQI-UHFFFAOYSA-N 0 0 203.698 2.180 10 0 BEAERN CC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000129120841 350985336 /nfs/dbraw/zinc/98/53/36/350985336.db2.gz KHVGPNAPQHMDCK-NSHDSACASA-N 0 0 205.301 2.404 10 0 BEAERN CC(C)[S@](=O)Nc1cnccc1Cl ZINC000306769752 350997816 /nfs/dbraw/zinc/99/78/16/350997816.db2.gz AJLMLEKICFKTCD-ZDUSSCGKSA-N 0 0 218.709 2.219 10 0 BEAERN C[C@@H]1CCC[C@](O)(c2cnc(N)s2)C1 ZINC000159791999 350998015 /nfs/dbraw/zinc/99/80/15/350998015.db2.gz WQFPLGSKUUCNLC-GMSGAONNSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@H]1CS[C@H](c2cc(O)cc(F)c2)N1 ZINC000159776486 350999844 /nfs/dbraw/zinc/99/98/44/350999844.db2.gz XRPFUPPGALWBFA-QUBYGPBYSA-N 0 0 213.277 2.255 10 0 BEAERN Nc1ncc(Cl)cc1Cc1cncs1 ZINC000159781886 351001393 /nfs/dbraw/zinc/00/13/93/351001393.db2.gz RYZRRSGNVMKBBS-UHFFFAOYSA-N 0 0 225.704 2.365 10 0 BEAERN NC(=O)N1CCC[C@H](c2ccccc2F)C1 ZINC000616620847 350945182 /nfs/dbraw/zinc/94/51/82/350945182.db2.gz MPGWRMBVVLWCKT-VIFPVBQESA-N 0 0 222.263 2.084 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cccnn1 ZINC000616621004 350948560 /nfs/dbraw/zinc/94/85/60/350948560.db2.gz JLZIZUGOCPTECD-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN CCOCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000128998004 350956949 /nfs/dbraw/zinc/95/69/49/350956949.db2.gz YEDPMTQPCRTXSC-ZDUSSCGKSA-N 0 0 249.354 2.421 10 0 BEAERN Fc1cccc(CC2(F)CNC2)c1Cl ZINC000159930496 351037928 /nfs/dbraw/zinc/03/79/28/351037928.db2.gz SFYKUKBBYLHMEN-UHFFFAOYSA-N 0 0 217.646 2.333 10 0 BEAERN Cc1cc(Br)cc(N[S@](C)=O)c1 ZINC000306795097 351042733 /nfs/dbraw/zinc/04/27/33/351042733.db2.gz GHSQGMFAGBZJBV-LBPRGKRZSA-N 0 0 248.145 2.463 10 0 BEAERN O=[N+]([O-])CCc1ccc2ccccc2n1 ZINC000382744234 351043060 /nfs/dbraw/zinc/04/30/60/351043060.db2.gz SRIOEZLKNLQQRA-UHFFFAOYSA-N 0 0 202.213 2.054 10 0 BEAERN C[C@]1([C@H]2CCC[C@@H](CO)O2)CCCS1 ZINC000306805317 351056814 /nfs/dbraw/zinc/05/68/14/351056814.db2.gz ZYKHZVFCCIWAPN-HBNTYKKESA-N 0 0 216.346 2.202 10 0 BEAERN C[C@@H]1CC[C@H](N[S@](=O)C2CCCC2)C1 ZINC000306806296 351058556 /nfs/dbraw/zinc/05/85/56/351058556.db2.gz JGCFUDNAAFFLKC-ISTVAULSSA-N 0 0 215.362 2.371 10 0 BEAERN CC(C)(F)C(=O)c1cnc2cc[nH]cc1-2 ZINC000306807938 351060294 /nfs/dbraw/zinc/06/02/94/351060294.db2.gz NNLVCLZVYWFGRD-UHFFFAOYSA-N 0 0 206.220 2.494 10 0 BEAERN Cc1sccc1[C@H](C(=O)[O-])[NH+]1CCCC1 ZINC000306810392 351063918 /nfs/dbraw/zinc/06/39/18/351063918.db2.gz UIXMMLNVKLPWCF-SNVBAGLBSA-N 0 0 225.313 2.278 10 0 BEAERN CCCn1c(C)c(Br)c(C)nc1=O ZINC000129209198 351010505 /nfs/dbraw/zinc/01/05/05/351010505.db2.gz KQGHLXBNAHKGJO-UHFFFAOYSA-N 0 0 245.120 2.033 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616629845 351101790 /nfs/dbraw/zinc/10/17/90/351101790.db2.gz QVYYQUJSSKOBND-OAHLLOKOSA-N 0 0 247.338 2.295 10 0 BEAERN COC(=O)N1CCC[C@H]1c1ccccc1CCO ZINC000616631046 351104212 /nfs/dbraw/zinc/10/42/12/351104212.db2.gz FWWXEPHAEYNRGB-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN NC(=O)N1CCC[C@@H](c2ccccc2F)CC1 ZINC000616627224 351107654 /nfs/dbraw/zinc/10/76/54/351107654.db2.gz GSBYPQSHOWOXOV-SNVBAGLBSA-N 0 0 236.290 2.474 10 0 BEAERN CC(=O)Nc1ccccc1[C@@H]1CCCN1C(C)=O ZINC000616634979 351117987 /nfs/dbraw/zinc/11/79/87/351117987.db2.gz YEHQYKMZACQELR-AWEZNQCLSA-N 0 0 246.310 2.328 10 0 BEAERN Cc1scnc1CCOC(=O)C(C)C ZINC000033611419 180566424 /nfs/dbraw/zinc/56/64/24/180566424.db2.gz KMEDDQQKAPHCLF-UHFFFAOYSA-N 0 0 213.302 2.193 10 0 endogenous,in-man BEAERN Cc1cocc1[C@@H](O)[C@H]1CSCCS1 ZINC000306811163 351077681 /nfs/dbraw/zinc/07/76/81/351077681.db2.gz WDDIIIYYJDJHIL-NXEZZACHSA-N 0 0 230.354 2.470 10 0 BEAERN Cc1cccc(O)c1N[S@](=O)C(C)C ZINC000306810852 351078829 /nfs/dbraw/zinc/07/88/29/351078829.db2.gz VJWZYJUCKCBPAW-CQSZACIVSA-N 0 0 213.302 2.185 10 0 BEAERN COc1cccc([C@H]2COCCN2C(C)C)c1 ZINC000616636271 351124590 /nfs/dbraw/zinc/12/45/90/351124590.db2.gz CSCAJCFFJWIJBE-CQSZACIVSA-N 0 0 235.327 2.477 10 0 BEAERN CN[C@@H](c1cscn1)c1cocc1C ZINC000306811296 351080425 /nfs/dbraw/zinc/08/04/25/351080425.db2.gz WOHRVNKEIVIGGJ-SNVBAGLBSA-N 0 0 208.286 2.353 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccc(OC)cc2C[C@H]1O ZINC000725268318 538100007 /nfs/dbraw/zinc/10/00/07/538100007.db2.gz MGHWNBRBOMISSS-CUOATXAZSA-N 0 0 235.327 2.439 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cncnc1 ZINC000616621886 351084856 /nfs/dbraw/zinc/08/48/56/351084856.db2.gz QFPAQAAPORBNFZ-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ccon1 ZINC000616623167 351088656 /nfs/dbraw/zinc/08/86/56/351088656.db2.gz LGNHRCZOLXNDAZ-JTQLQIEISA-N 0 0 224.260 2.358 10 0 BEAERN NC(=O)N1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616627675 351095888 /nfs/dbraw/zinc/09/58/88/351095888.db2.gz JCKDZGRQIAMMDE-JTQLQIEISA-N 0 0 236.290 2.474 10 0 BEAERN NC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000616627467 351095989 /nfs/dbraw/zinc/09/59/89/351095989.db2.gz GDDNSSSXEAXEOY-LLVKDONJSA-N 0 0 236.290 2.474 10 0 BEAERN CC(=O)N1CCC[C@H](c2cccnc2)CC1 ZINC000616627756 351096713 /nfs/dbraw/zinc/09/67/13/351096713.db2.gz KYIILFOQUWVCAJ-LBPRGKRZSA-N 0 0 218.300 2.198 10 0 BEAERN COc1ccc([C@H]2CCCN(C(N)=O)CC2)cc1 ZINC000616628518 351098329 /nfs/dbraw/zinc/09/83/29/351098329.db2.gz MKHMUXXIWSLQKL-NSHDSACASA-N 0 0 248.326 2.343 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cn[nH]c2)CC1 ZINC000616629068 351100010 /nfs/dbraw/zinc/10/00/10/351100010.db2.gz RIGCJYHDWQXWQE-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cnoc2)CC1 ZINC000616629234 351100084 /nfs/dbraw/zinc/10/00/84/351100084.db2.gz UNXJYDUWLOTTQY-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCN1CCOC[C@H]1c1cccc(NC)c1 ZINC000616641152 351147663 /nfs/dbraw/zinc/14/76/63/351147663.db2.gz BNAULCMDDHCZIM-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN CN1CCOC[C@H]1c1ccc2cnccc2c1 ZINC000616641518 351148341 /nfs/dbraw/zinc/14/83/41/351148341.db2.gz HKHRFYUVKJKBOS-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CC[C@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000306837692 351149192 /nfs/dbraw/zinc/14/91/92/351149192.db2.gz WHQYEAYIFGJQQM-AWEZNQCLSA-N 0 0 249.310 2.482 10 0 BEAERN CC(C)[N@@H+]1CCOC[C@H]1c1ccccc1C(=O)[O-] ZINC000616642200 351153959 /nfs/dbraw/zinc/15/39/59/351153959.db2.gz ZSTFEOCXSOKWAS-ZDUSSCGKSA-N 0 0 249.310 2.167 10 0 BEAERN O=c1[nH]c(CNc2nc(Cl)cs2)cs1 ZINC000231708863 351154586 /nfs/dbraw/zinc/15/45/86/351154586.db2.gz FNRGGBOWKAMEFW-UHFFFAOYSA-N 0 0 247.732 2.158 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616655411 351192643 /nfs/dbraw/zinc/19/26/43/351192643.db2.gz WARDFEVXSOPJJU-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN CC(C)(C)N1CCOCC[C@@H]1c1ccon1 ZINC000616655419 351192659 /nfs/dbraw/zinc/19/26/59/351192659.db2.gz DIDQBBCAJZLZCB-LLVKDONJSA-N 0 0 224.304 2.237 10 0 BEAERN CSc1ccccc1NC(=O)CC(C)=O ZINC000002581342 351160887 /nfs/dbraw/zinc/16/08/87/351160887.db2.gz WITYJBUEEXALLY-UHFFFAOYSA-N 0 0 223.297 2.326 10 0 BEAERN CC(C)(C)N1CCO[C@@H](c2cccnc2)C1 ZINC000616645345 351167896 /nfs/dbraw/zinc/16/78/96/351167896.db2.gz PHVZPJNRBQWGRU-GFCCVEGCSA-N 0 0 220.316 2.253 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1c1cocn1 ZINC000616646593 351171517 /nfs/dbraw/zinc/17/15/17/351171517.db2.gz YYDFYOUBFIHRMC-NSHDSACASA-N 0 0 224.304 2.237 10 0 BEAERN CC[N@@H+]1CCCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616650175 351173683 /nfs/dbraw/zinc/17/36/83/351173683.db2.gz VXRTWNMDKIFDTA-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CNc1ccc([C@H]2COCCCN2C(C)=O)cc1 ZINC000616647551 351174129 /nfs/dbraw/zinc/17/41/29/351174129.db2.gz GQZHDJKYLLXIMF-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN S=C1N=NC(N[C@@H]2C[C@H]3C[C@H]3C2)S1 ZINC000306850796 351174152 /nfs/dbraw/zinc/17/41/52/351174152.db2.gz PLKKDPCDWVAXTH-FPFOFBBKSA-N 0 0 213.331 2.037 10 0 BEAERN CC(=O)N1CCCOC[C@@H]1c1cccc(F)c1 ZINC000616648587 351176358 /nfs/dbraw/zinc/17/63/58/351176358.db2.gz PVVSFYUHJJBIPG-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CC(C)(C)[N@@H+]1CCCO[C@H](c2cccc(N)n2)C1 ZINC000616650349 351176530 /nfs/dbraw/zinc/17/65/30/351176530.db2.gz YHHXPSYTGFZEON-LBPRGKRZSA-N 0 0 249.358 2.226 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CS[C@H](C)C1 ZINC000306857661 351183444 /nfs/dbraw/zinc/18/34/44/351183444.db2.gz DPLRSNBANUAGKJ-IYSWYEEDSA-N 0 0 217.725 2.306 10 0 BEAERN OC1(CNc2csc(Cl)n2)CCC1 ZINC000306857999 351183506 /nfs/dbraw/zinc/18/35/06/351183506.db2.gz BQWAMWWKCRTMER-UHFFFAOYSA-N 0 0 218.709 2.123 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CS[C@@H](C)C1 ZINC000306857658 351183825 /nfs/dbraw/zinc/18/38/25/351183825.db2.gz DPLRSNBANUAGKJ-FSPLSTOPSA-N 0 0 217.725 2.306 10 0 BEAERN CNc1cccc([C@@H]2CN(C(C)=O)CCCO2)c1 ZINC000616652079 351189753 /nfs/dbraw/zinc/18/97/53/351189753.db2.gz YHDRFLHNJKRFGR-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CCc1cccc2c(=O)n(C)c(Cl)nc12 ZINC000129326200 351128197 /nfs/dbraw/zinc/12/81/97/351128197.db2.gz STRRBAQLKAERNC-UHFFFAOYSA-N 0 0 222.675 2.149 10 0 BEAERN CC(C)N1CCOC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616636943 351130683 /nfs/dbraw/zinc/13/06/83/351130683.db2.gz IGKPMKKQXDTCIP-CYBMUJFWSA-N 0 0 249.310 2.167 10 0 BEAERN CC(C)(CF)Nc1ccnc(Cl)n1 ZINC000306823243 351130814 /nfs/dbraw/zinc/13/08/14/351130814.db2.gz PNPMGPUYGQBBBQ-UHFFFAOYSA-N 0 0 203.648 2.290 10 0 BEAERN CN1CCOC[C@@H]1c1cnc2ccccc2c1 ZINC000616637474 351133110 /nfs/dbraw/zinc/13/31/10/351133110.db2.gz NFYSTUOHKZDJTP-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN Clc1cc(NC2CSC2)ccn1 ZINC000306825930 351134164 /nfs/dbraw/zinc/13/41/64/351134164.db2.gz YTGRJWRTFHXLQP-UHFFFAOYSA-N 0 0 200.694 2.262 10 0 BEAERN CCc1nn(C)cc1-c1nccnc1Cl ZINC000167974812 351140386 /nfs/dbraw/zinc/14/03/86/351140386.db2.gz KGQIKBWDDQHLIN-UHFFFAOYSA-N 0 0 222.679 2.093 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1c1cnco1 ZINC000616669525 351228830 /nfs/dbraw/zinc/22/88/30/351228830.db2.gz JURMQHWNNVSIBL-ZDUSSCGKSA-N 0 0 244.294 2.161 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1c1ncco1 ZINC000616669378 351229017 /nfs/dbraw/zinc/22/90/17/351229017.db2.gz OEBBYFUJIPTNNU-NSHDSACASA-N 0 0 243.266 2.247 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1C(F)F ZINC000616669854 351229335 /nfs/dbraw/zinc/22/93/35/351229335.db2.gz RXZBJBHCWDBIEV-LLVKDONJSA-N 0 0 227.254 2.065 10 0 BEAERN CCN1c2ccccc2CC[C@@H]1c1nc[nH]n1 ZINC000616668527 351230185 /nfs/dbraw/zinc/23/01/85/351230185.db2.gz LIOVLXDBAGPNKZ-GFCCVEGCSA-N 0 0 228.299 2.319 10 0 BEAERN CCN1c2ccccc2CC[C@@H]1c1cn[nH]n1 ZINC000616668300 351230357 /nfs/dbraw/zinc/23/03/57/351230357.db2.gz ICZBGKMYRMWYRQ-CYBMUJFWSA-N 0 0 228.299 2.319 10 0 BEAERN CN1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000616668315 351230615 /nfs/dbraw/zinc/23/06/15/351230615.db2.gz AQDRZSMTVMYQBO-GFCCVEGCSA-N 0 0 213.284 2.117 10 0 BEAERN CN1C[C@H](c2cncnc2)Cc2ccccc21 ZINC000616670768 351230763 /nfs/dbraw/zinc/23/07/63/351230763.db2.gz PRZVBQCPQJLXEQ-GFCCVEGCSA-N 0 0 225.295 2.253 10 0 BEAERN CN1C[C@@H](c2ncccn2)Cc2ccccc21 ZINC000616671336 351230837 /nfs/dbraw/zinc/23/08/37/351230837.db2.gz BZTDBYXADDABAG-LBPRGKRZSA-N 0 0 225.295 2.253 10 0 BEAERN OCCN1C[C@H](C(F)(F)F)Cc2ccccc21 ZINC000616672152 351235262 /nfs/dbraw/zinc/23/52/62/351235262.db2.gz JLLYMOJKHIGKOJ-SNVBAGLBSA-N 0 0 245.244 2.220 10 0 BEAERN CN1CC[C@@H](c2conn2)c2ccccc21 ZINC000616671927 351237418 /nfs/dbraw/zinc/23/74/18/351237418.db2.gz JAAKIXLRBHQIQM-SECBINFHSA-N 0 0 215.256 2.041 10 0 BEAERN CC[C@@H]1Cc2ccccc2N(S(C)(=O)=O)C1 ZINC000616673554 351237450 /nfs/dbraw/zinc/23/74/50/351237450.db2.gz OIUPPKYNNPNQPX-SNVBAGLBSA-N 0 0 239.340 2.035 10 0 BEAERN CC(=O)N1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000616673743 351237901 /nfs/dbraw/zinc/23/79/01/351237901.db2.gz RTGZYHOLTRXABR-CYBMUJFWSA-N 0 0 241.294 2.033 10 0 BEAERN CN1C[C@@H](c2ccon2)Cc2ccccc21 ZINC000616673904 351238124 /nfs/dbraw/zinc/23/81/24/351238124.db2.gz UJOVYICYUAOYEG-NSHDSACASA-N 0 0 214.268 2.451 10 0 BEAERN CN1CC[C@@H](c2cncnc2)c2ccccc21 ZINC000616673741 351238167 /nfs/dbraw/zinc/23/81/67/351238167.db2.gz ZIKXGJXVVAKMSE-LBPRGKRZSA-N 0 0 225.295 2.448 10 0 BEAERN CN1C[C@@H](c2cncnc2)Cc2ccccc21 ZINC000616673194 351240122 /nfs/dbraw/zinc/24/01/22/351240122.db2.gz PRZVBQCPQJLXEQ-LBPRGKRZSA-N 0 0 225.295 2.253 10 0 BEAERN OCCN1CC[C@H](c2cnco2)c2ccccc21 ZINC000616677003 351241455 /nfs/dbraw/zinc/24/14/55/351241455.db2.gz ZQHHPZQJPDXFSW-LBPRGKRZSA-N 0 0 244.294 2.009 10 0 BEAERN CC[N@@H+]1CCc2ccccc2[C@@H]1c1cn[nH]c1 ZINC000616677056 351241673 /nfs/dbraw/zinc/24/16/73/351241673.db2.gz GXXFVYIZHIFCAY-AWEZNQCLSA-N 0 0 227.311 2.377 10 0 BEAERN CN1CC[C@H](c2conn2)c2ccccc21 ZINC000616675015 351242385 /nfs/dbraw/zinc/24/23/85/351242385.db2.gz JAAKIXLRBHQIQM-VIFPVBQESA-N 0 0 215.256 2.041 10 0 BEAERN OCCN1CC[C@H](c2ccon2)c2ccccc21 ZINC000616675696 351242786 /nfs/dbraw/zinc/24/27/86/351242786.db2.gz OQCMURZPAWBKMP-NSHDSACASA-N 0 0 244.294 2.009 10 0 BEAERN COC(=O)N1CC[C@@H](CCO)c2ccccc21 ZINC000616675690 351242964 /nfs/dbraw/zinc/24/29/64/351242964.db2.gz OUUNEKVLLNWHJO-JTQLQIEISA-N 0 0 235.283 2.129 10 0 BEAERN CCN1C[C@@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616680362 351246888 /nfs/dbraw/zinc/24/68/88/351246888.db2.gz CXOVQVDENDBKMY-LBPRGKRZSA-N 0 0 228.299 2.403 10 0 BEAERN CN1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616680542 351247951 /nfs/dbraw/zinc/24/79/51/351247951.db2.gz YYSVFSHGDGTTJA-CQSZACIVSA-N 0 0 225.295 2.054 10 0 BEAERN CN1C[C@@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616681148 351248452 /nfs/dbraw/zinc/24/84/52/351248452.db2.gz NFEUBFODSHYHBN-NSHDSACASA-N 0 0 214.272 2.013 10 0 BEAERN CC(C)N1CCc2ccccc2[C@@H]1c1nc[nH]n1 ZINC000616678780 351249364 /nfs/dbraw/zinc/24/93/64/351249364.db2.gz MGODUOSUGHEPCC-CYBMUJFWSA-N 0 0 242.326 2.161 10 0 BEAERN CN1CCc2ccccc2[C@H]1c1ncco1 ZINC000616678704 351249633 /nfs/dbraw/zinc/24/96/33/351249633.db2.gz CJHFKMGRZHOULQ-LBPRGKRZSA-N 0 0 214.268 2.252 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ncccn1 ZINC000616681919 351252193 /nfs/dbraw/zinc/25/21/93/351252193.db2.gz AWHVFOWXUQWHHT-GFCCVEGCSA-N 0 0 226.283 2.080 10 0 BEAERN CN1C[C@H](c2ccon2)Nc2ccccc21 ZINC000616683570 351252218 /nfs/dbraw/zinc/25/22/18/351252218.db2.gz SCNLNKSLFODMEY-LLVKDONJSA-N 0 0 215.256 2.278 10 0 BEAERN CN1C[C@H](c2ccno2)Nc2ccccc21 ZINC000616682457 351252715 /nfs/dbraw/zinc/25/27/15/351252715.db2.gz LRBYDUDEZLGZGZ-SNVBAGLBSA-N 0 0 215.256 2.278 10 0 BEAERN CCN1C[C@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616682257 351252813 /nfs/dbraw/zinc/25/28/13/351252813.db2.gz HUCLFFAJFSHUNG-LLVKDONJSA-N 0 0 228.299 2.403 10 0 BEAERN CC(=O)N1C[C@H](C(F)F)Nc2ccccc21 ZINC000616682539 351252974 /nfs/dbraw/zinc/25/29/74/351252974.db2.gz CSOZLVXRPSQFKJ-SECBINFHSA-N 0 0 226.226 2.099 10 0 BEAERN CC(C)N1c2ccccc2NC[C@H]1c1nc[nH]n1 ZINC000616682665 351253466 /nfs/dbraw/zinc/25/34/66/351253466.db2.gz JOYKKPLSCWGMLU-LBPRGKRZSA-N 0 0 243.314 2.186 10 0 BEAERN CC(=O)[C@H]1CNc2ccccc2N1C(C)C ZINC000616682730 351253581 /nfs/dbraw/zinc/25/35/81/351253581.db2.gz BITQCWSKBJHEBL-CYBMUJFWSA-N 0 0 218.300 2.285 10 0 BEAERN CCOC(=O)N1C[C@H](F)Nc2ccccc21 ZINC000616686462 351256611 /nfs/dbraw/zinc/25/66/11/351256611.db2.gz ZZMGMCLQKYOAGT-SNVBAGLBSA-N 0 0 224.235 2.371 10 0 BEAERN CCc1cccc(C(=O)c2ncc[nH]2)c1 ZINC000168013653 351260328 /nfs/dbraw/zinc/26/03/28/351260328.db2.gz BYRSPFZIEOTFGH-UHFFFAOYSA-N 0 0 200.241 2.203 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cocn2)C1 ZINC000616654190 351195864 /nfs/dbraw/zinc/19/58/64/351195864.db2.gz PCTODMJPADCMSB-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN C[N@@H+]1CCOC[C@H](c2ccc3ccccc3n2)C1 ZINC000616657228 351198280 /nfs/dbraw/zinc/19/82/80/351198280.db2.gz COGJNZGMFRHMQI-CYBMUJFWSA-N 0 0 242.322 2.280 10 0 BEAERN C[N@@H+]1CCOC[C@H](c2cccc(Cl)c2)C1 ZINC000616657189 351198387 /nfs/dbraw/zinc/19/83/87/351198387.db2.gz BLPREEKMHQPSCB-LLVKDONJSA-N 0 0 225.719 2.386 10 0 BEAERN CNc1ccc([C@H]2CCOCCN2C(C)=O)cc1 ZINC000616658503 351204534 /nfs/dbraw/zinc/20/45/34/351204534.db2.gz UJBYARGVAWFGLZ-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CC(F)(F)[C@@H](NN)c1cccc(Cl)c1 ZINC000306859822 351204606 /nfs/dbraw/zinc/20/46/06/351204606.db2.gz FJDKFORQTVKYPS-QMMMGPOBSA-N 0 0 220.650 2.500 10 0 BEAERN CCOC(=O)N1CCOC[C@@H](C(C)(C)C)C1 ZINC000616661780 351211005 /nfs/dbraw/zinc/21/10/05/351211005.db2.gz RVHVQSPMUUUZHR-JTQLQIEISA-N 0 0 229.320 2.137 10 0 BEAERN CC[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000616663289 351215515 /nfs/dbraw/zinc/21/55/15/351215515.db2.gz NPRIXRVQJZMFHR-SNVBAGLBSA-N 0 0 229.320 2.280 10 0 BEAERN NNc1cc2ccc(F)cc2nc1[C@H]1CCOC1 ZINC000725268304 538100136 /nfs/dbraw/zinc/10/01/36/538100136.db2.gz LVSBYYADEDFVSL-VIFPVBQESA-N 0 0 247.273 2.163 10 0 BEAERN COC(=O)N1c2ccccc2CC[C@H]1C(C)=O ZINC000616667213 351224034 /nfs/dbraw/zinc/22/40/34/351224034.db2.gz GWDFKASLBTVTCW-NSHDSACASA-N 0 0 233.267 2.163 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1C(F)F ZINC000616667450 351224046 /nfs/dbraw/zinc/22/40/46/351224046.db2.gz AUSFLABJGCKIPF-SECBINFHSA-N 0 0 226.226 2.152 10 0 BEAERN CC(=O)N1CCO[C@@H](c2ccccc2F)CC1 ZINC000616666183 351225682 /nfs/dbraw/zinc/22/56/82/351225682.db2.gz KIXIBRBBDHUNOM-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN COc1ccc([C@H]2CCN(C(C)=O)CCO2)cc1 ZINC000616666341 351226475 /nfs/dbraw/zinc/22/64/75/351226475.db2.gz OUBPHPBHAWUKHP-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CCOC(=O)N1c2ccccc2CC[C@@H]1CCO ZINC000616666932 351227364 /nfs/dbraw/zinc/22/73/64/351227364.db2.gz ABTIOKXPQRQFDS-GFCCVEGCSA-N 0 0 249.310 2.347 10 0 BEAERN CCc1cccc(C(=O)[C@H]2CCOC2)c1 ZINC000168000893 351228189 /nfs/dbraw/zinc/22/81/89/351228189.db2.gz CLSZTHXKQPXXMM-LBPRGKRZSA-N 0 0 204.269 2.468 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1c1cnoc1 ZINC000616669071 351228217 /nfs/dbraw/zinc/22/82/17/351228217.db2.gz NFQPXJUTOOTHQT-LBPRGKRZSA-N 0 0 243.266 2.247 10 0 BEAERN O=C(c1cccc(F)c1)C1CCOCC1 ZINC000068956556 351302830 /nfs/dbraw/zinc/30/28/30/351302830.db2.gz FJBALXKEWSNYKT-UHFFFAOYSA-N 0 0 208.232 2.435 10 0 BEAERN Cc1nnc(Cl)n1[C@@H](C)C(C)(F)F ZINC000306891527 351304596 /nfs/dbraw/zinc/30/45/96/351304596.db2.gz GJVILSCMNOPDPO-BYPYZUCNSA-N 0 0 209.627 2.456 10 0 BEAERN Cc1nc(C[C@@H](O)c2ccco2)cs1 ZINC000068979561 351310513 /nfs/dbraw/zinc/31/05/13/351310513.db2.gz KBBYAEDHKRNQHL-SECBINFHSA-N 0 0 209.270 2.321 10 0 BEAERN O[C@@H](c1occc1Br)[C@@H]1CCOC1 ZINC000068981392 351312232 /nfs/dbraw/zinc/31/22/32/351312232.db2.gz XNHJRJFMJKHDPK-HTRCEHHLSA-N 0 0 247.088 2.112 10 0 BEAERN Cc1c(/C=C(/C(C)C)[N+](=O)[O-])cnn1C ZINC000168035004 351269764 /nfs/dbraw/zinc/26/97/64/351269764.db2.gz KKXYODDPIZYDNH-YHYXMXQVSA-N 0 0 209.249 2.002 10 0 BEAERN Cc1ccc(C2N=NC(=S)N2)c(C)c1 ZINC000034977897 351370793 /nfs/dbraw/zinc/37/07/93/351370793.db2.gz LBGMZDDFNBKLSF-UHFFFAOYSA-N 0 0 205.286 2.377 10 0 BEAERN CSC1(Cn2nc(C)c(Cl)c2N)CC1 ZINC000306988393 351405142 /nfs/dbraw/zinc/40/51/42/351405142.db2.gz AWHWPAFEIGDTBY-UHFFFAOYSA-N 0 0 231.752 2.323 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@H]1c1c[nH]cn1 ZINC000228792211 351378077 /nfs/dbraw/zinc/37/80/77/351378077.db2.gz NJISMPAWZPTKEK-JTQLQIEISA-N 0 0 237.303 2.482 10 0 BEAERN Cc1c[nH]c(N2CCC=C(Br)C2)n1 ZINC000404342597 351388653 /nfs/dbraw/zinc/38/86/53/351388653.db2.gz GMDBBDLXZZZKCA-UHFFFAOYSA-N 0 0 242.120 2.207 10 0 BEAERN Cc1cc(C)cc([C@@H]2C=CS(=O)(=O)C2)c1 ZINC000040173716 351391523 /nfs/dbraw/zinc/39/15/23/351391523.db2.gz PDBIKJBWJWUAPJ-LLVKDONJSA-N 0 0 222.309 2.329 10 0 BEAERN Cc1ccc(Cl)cc1C1=CCS(=O)(=O)C1 ZINC000040173788 351392082 /nfs/dbraw/zinc/39/20/82/351392082.db2.gz KNEFURLCVNNLRZ-UHFFFAOYSA-N 0 0 242.727 2.460 10 0 BEAERN C[C@H](NC1=N[C@@H](C)[C@H](C)S1)C(F)F ZINC000306979417 351397247 /nfs/dbraw/zinc/39/72/47/351397247.db2.gz OVBTUTNLTSAUKW-ZLUOBGJFSA-N 0 0 208.277 2.109 10 0 BEAERN Cc1nc(C2([NH3+])CC2)ccc1Br ZINC000306922044 351342206 /nfs/dbraw/zinc/34/22/06/351342206.db2.gz SXKHPZIGYFLDGY-UHFFFAOYSA-N 0 0 227.105 2.100 10 0 BEAERN CC[C@H](C)C(=O)Nc1nnc(Cl)s1 ZINC000306924718 351343216 /nfs/dbraw/zinc/34/32/16/351343216.db2.gz KKMCAEDBXKQBNH-BYPYZUCNSA-N 0 0 219.697 2.176 10 0 BEAERN C[C@H]1CCN(C(=O)C2(Br)CCC2)C1 ZINC000306928129 351343811 /nfs/dbraw/zinc/34/38/11/351343811.db2.gz WWGLGINBWDTLCK-QMMMGPOBSA-N 0 0 246.148 2.172 10 0 BEAERN C[N@@H+]1CCC[C@H]1c1ccccc1C(=O)[O-] ZINC000005966479 351346573 /nfs/dbraw/zinc/34/65/73/351346573.db2.gz PURIRTNUIAQQNH-NSHDSACASA-N 0 0 205.257 2.152 10 0 BEAERN Nc1ccc2nc([C@H]3CCCO3)oc2c1 ZINC000034940007 351356524 /nfs/dbraw/zinc/35/65/24/351356524.db2.gz YRLNOEFRXMCBEZ-SECBINFHSA-N 0 0 204.229 2.262 10 0 BEAERN O=C1NCC[C@@H]1CCCOCc1ccccc1 ZINC000306933741 351359301 /nfs/dbraw/zinc/35/93/01/351359301.db2.gz GEBPWNAULCIZBX-ZDUSSCGKSA-N 0 0 233.311 2.120 10 0 BEAERN COc1ccc(Br)c(OC)c1N ZINC000306937976 351359747 /nfs/dbraw/zinc/35/97/47/351359747.db2.gz GHNUXPLYHVKUFM-UHFFFAOYSA-N 0 0 232.077 2.049 10 0 BEAERN CN[C@@H](c1csc(C)n1)c1ccc[nH]1 ZINC000306935632 351360056 /nfs/dbraw/zinc/36/00/56/351360056.db2.gz HHTPSTGKTCPQMF-SNVBAGLBSA-N 0 0 207.302 2.088 10 0 BEAERN CC1CN(C(=O)C[C@@H]2CC2(Cl)Cl)C1 ZINC000306940091 351361149 /nfs/dbraw/zinc/36/11/49/351361149.db2.gz BNBVUPIBTTWQFN-SSDOTTSWSA-N 0 0 222.115 2.049 10 0 BEAERN CN(CCc1ccccn1)c1ccc(N)cc1F ZINC000034957397 351362821 /nfs/dbraw/zinc/36/28/21/351362821.db2.gz LACXDNVSVQQSCL-UHFFFAOYSA-N 0 0 245.301 2.482 10 0 BEAERN Fc1ccc(Br)[nH]c1=S ZINC000307023751 351429842 /nfs/dbraw/zinc/42/98/42/351429842.db2.gz FYEDRHZFUHAXHC-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN O[C@H](CN1CCC1)c1sccc1Cl ZINC000307031886 351432518 /nfs/dbraw/zinc/43/25/18/351432518.db2.gz QTZUJCIUWODGRG-MRVPVSSYSA-N 0 0 217.721 2.141 10 0 BEAERN COc1ccc(CC2=NC(=O)CS2)cc1 ZINC000307050512 351447992 /nfs/dbraw/zinc/44/79/92/351447992.db2.gz HYCRPWRPJPSMNH-UHFFFAOYSA-N 0 0 221.281 2.448 10 0 BEAERN Cc1cnc([C@@H]2NC[C@H](C)CS2)s1 ZINC000307051305 351452938 /nfs/dbraw/zinc/45/29/38/351452938.db2.gz SJBJMHVZIGXGIE-POYBYMJQSA-N 0 0 214.359 2.423 10 0 BEAERN CC(C)C(c1nn(C)c(=S)[nH]1)C(C)C ZINC000307054099 351454034 /nfs/dbraw/zinc/45/40/34/351454034.db2.gz WOFUMFFYEXQLBB-UHFFFAOYSA-N 0 0 213.350 2.499 10 0 BEAERN CC[C@H]1C[C@H]1c1nc(Br)no1 ZINC000307055941 351456011 /nfs/dbraw/zinc/45/60/11/351456011.db2.gz ZPXQFSVRNFKOAI-CRCLSJGQSA-N 0 0 217.066 2.346 10 0 BEAERN Nc1ccc(N2CCC2)c(Br)c1 ZINC000307056023 351456414 /nfs/dbraw/zinc/45/64/14/351456414.db2.gz AYCBNOCPSPSUKY-UHFFFAOYSA-N 0 0 227.105 2.241 10 0 BEAERN FCCNc1cc(Cl)nc(Cl)n1 ZINC000307065687 351462358 /nfs/dbraw/zinc/46/23/58/351462358.db2.gz ULOAPXOAVPXSQE-UHFFFAOYSA-N 0 0 210.039 2.165 10 0 BEAERN CC[C@@H](C[NH2+]Cc1ccccc1)CC(=O)[O-] ZINC000307065294 351462721 /nfs/dbraw/zinc/46/27/21/351462721.db2.gz SVPCHMVKVYAOAB-LLVKDONJSA-N 0 0 221.300 2.277 10 0 BEAERN CCNc1nnc(-c2ccns2)s1 ZINC000307068534 351463343 /nfs/dbraw/zinc/46/33/43/351463343.db2.gz WOLDKMPMDFVVBF-UHFFFAOYSA-N 0 0 212.303 2.093 10 0 BEAERN COC(OC)[C@@H]1CCC2(CCCC2)C1=O ZINC000307014736 351422793 /nfs/dbraw/zinc/42/27/93/351422793.db2.gz MZTGTKFMTSSVQT-SECBINFHSA-N 0 0 212.289 2.145 10 0 BEAERN Cc1nsc(N[C@@H](C)C(F)(F)F)n1 ZINC000307139369 351495108 /nfs/dbraw/zinc/49/51/08/351495108.db2.gz BTFPIASJDWDTBE-VKHMYHEASA-N 0 0 211.212 2.209 10 0 BEAERN CC[S@@](=O)Nc1c(C)ccnc1Cl ZINC000307145514 351499458 /nfs/dbraw/zinc/49/94/58/351499458.db2.gz JJMKNZQELJFTMP-CYBMUJFWSA-N 0 0 218.709 2.139 10 0 BEAERN Cn1ccnc1CC(=O)c1sccc1F ZINC000307147530 351500498 /nfs/dbraw/zinc/50/04/98/351500498.db2.gz OGABPVZHKFFUAV-UHFFFAOYSA-N 0 0 224.260 2.046 10 0 BEAERN C[C@@H]1CSC[C@]12[NH2+]CC[C@@H](C)S2 ZINC000307153493 351506560 /nfs/dbraw/zinc/50/65/60/351506560.db2.gz JYUUFYPDMVRQCO-IWSPIJDZSA-N 0 0 203.376 2.181 10 0 BEAERN Cc1ccc([C@H](NN)C(F)F)cc1Cl ZINC000232004386 351507483 /nfs/dbraw/zinc/50/74/83/351507483.db2.gz UPIUOOAXOUZMQE-QMMMGPOBSA-N 0 0 220.650 2.418 10 0 BEAERN CCNC(=O)Oc1ccc(Cl)cc1N ZINC000307109949 351480120 /nfs/dbraw/zinc/48/01/20/351480120.db2.gz BKMWXABKMMIUCC-UHFFFAOYSA-N 0 0 214.652 2.031 10 0 BEAERN Cc1cc(Br)cc(S(C)(=O)=O)c1 ZINC000090376072 363046348 /nfs/dbraw/zinc/04/63/48/363046348.db2.gz VLFFSTHAVZZFJO-UHFFFAOYSA-N 0 0 249.129 2.161 10 0 BEAERN CC(C)NC(=S)N1CC[C@H]2CCC[C@H]21 ZINC000307111009 351484387 /nfs/dbraw/zinc/48/43/87/351484387.db2.gz HWTGJVGWPVWVRC-NXEZZACHSA-N 0 0 212.362 2.144 10 0 BEAERN Brc1cccnc1Cn1cccn1 ZINC000307111184 351484648 /nfs/dbraw/zinc/48/46/48/351484648.db2.gz LFQVNQXJDUJGDR-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN Cc1cc(-c2nccc(C)c2N)sn1 ZINC000307116101 351487376 /nfs/dbraw/zinc/48/73/76/351487376.db2.gz XQFBIJLGAOXSKP-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC1(C)CC[C@H]1[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000307121329 351489545 /nfs/dbraw/zinc/48/95/45/351489545.db2.gz IXXPIYHZZABBHE-SKDRFNHKSA-N 0 0 211.305 2.114 10 0 BEAERN Clc1nccnc1NCc1ccncc1 ZINC000043537634 180603624 /nfs/dbraw/zinc/60/36/24/180603624.db2.gz PENBFQJKUJFTGE-UHFFFAOYSA-N 0 0 220.663 2.137 10 0 BEAERN C/C=C/CSc1nnc(NC)s1 ZINC000307162343 351522281 /nfs/dbraw/zinc/52/22/81/351522281.db2.gz YMILVPVEWVRJMT-ONEGZZNKSA-N 0 0 201.320 2.248 10 0 BEAERN Clc1c2c(nn1[C@@H]1CCOC1)CCCC2 ZINC000307162126 351527450 /nfs/dbraw/zinc/52/74/50/351527450.db2.gz LCXHBHTXNVBUIZ-MRVPVSSYSA-N 0 0 226.707 2.377 10 0 BEAERN Cn1nc2c3cc(Cl)ccc3[nH]cc-2c1=O ZINC000026507516 180605916 /nfs/dbraw/zinc/60/59/16/180605916.db2.gz IQSOUZRASHOPBL-UHFFFAOYSA-N 0 0 233.658 2.068 10 0 BEAERN C[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000252102330 363064668 /nfs/dbraw/zinc/06/46/68/363064668.db2.gz GLEUJJKLVVLIQL-VWYCJHECSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1ncc([C@@H]2NC[C@@H](C)CS2)s1 ZINC000307169440 351544730 /nfs/dbraw/zinc/54/47/30/351544730.db2.gz YFWPMICUMAYIDN-HZGVNTEJSA-N 0 0 214.359 2.423 10 0 BEAERN Clc1nc([C@H]2CCSC2)ns1 ZINC000405192817 363074705 /nfs/dbraw/zinc/07/47/05/363074705.db2.gz UXWVYJDSAVSLLD-BYPYZUCNSA-N 0 0 206.723 2.412 10 0 BEAERN CCNc1nc([C@]2(C)CCCS2)no1 ZINC000307185699 351586329 /nfs/dbraw/zinc/58/63/29/351586329.db2.gz JQTJUMXKQRVWOD-VIFPVBQESA-N 0 0 213.306 2.244 10 0 BEAERN Cc1cnc(-c2noc(Cl)n2)s1 ZINC000307188075 351590201 /nfs/dbraw/zinc/59/02/01/351590201.db2.gz QRBHDRLYUAEDEB-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN COC(C)(C)[C@H]1Nc2ccc(C)cc2C[C@H]1O ZINC000725268477 538100676 /nfs/dbraw/zinc/10/06/76/538100676.db2.gz SBHIUBTUSUYNFQ-OLZOCXBDSA-N 0 0 235.327 2.118 10 0 BEAERN ONc1ncc(Br)cc1Cl ZINC000307200923 351602014 /nfs/dbraw/zinc/60/20/14/351602014.db2.gz CGWUMTWGFLSTOC-UHFFFAOYSA-N 0 0 223.457 2.299 10 0 BEAERN CCCC1(COc2ccc(C=O)cn2)COC1 ZINC000606302176 351555865 /nfs/dbraw/zinc/55/58/65/351555865.db2.gz GCDTXRLSFXVPNH-UHFFFAOYSA-N 0 0 235.283 2.090 10 0 BEAERN C[C@@H]1CC[C@@H](COc2cccnc2F)O1 ZINC000232064561 351615946 /nfs/dbraw/zinc/61/59/46/351615946.db2.gz BFWRCRDHJXHBJO-BDAKNGLRSA-N 0 0 211.236 2.167 10 0 BEAERN CCc1cccc2c1N[C@H](C(C)(C)OC)[C@@H](O)C2 ZINC000725268444 538100885 /nfs/dbraw/zinc/10/08/85/538100885.db2.gz QXPZIEURHMSTJW-JSGCOSHPSA-N 0 0 249.354 2.372 10 0 BEAERN Nc1ccccc1SCc1cnns1 ZINC000307234860 351703785 /nfs/dbraw/zinc/70/37/85/351703785.db2.gz FJXCLQNWFPMFAL-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN O=C(Cc1nccs1)C1CC(F)(F)C1 ZINC000307237012 351724965 /nfs/dbraw/zinc/72/49/65/351724965.db2.gz GMLDCOHLTOGJNP-UHFFFAOYSA-N 0 0 217.240 2.300 10 0 BEAERN Cc1c[nH]c(C(=O)[C@@H]2CO[C@@H](C)C2)c1C ZINC000307253979 351787825 /nfs/dbraw/zinc/78/78/25/351787825.db2.gz WNKVGADXFNACNB-WPRPVWTQSA-N 0 0 207.273 2.239 10 0 BEAERN Cc1nc([C@@]2(O)CSC[C@@H]2C)cs1 ZINC000307255538 351790083 /nfs/dbraw/zinc/79/00/83/351790083.db2.gz ZOEVETKSFYYHRA-IMTBSYHQSA-N 0 0 215.343 2.022 10 0 BEAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000307256455 351791210 /nfs/dbraw/zinc/79/12/10/351791210.db2.gz APSZNWWKVCAISO-JTQLQIEISA-N 0 0 229.320 2.422 10 0 BEAERN O=Cc1cc(OC(F)F)c(F)cc1F ZINC000307274148 351830563 /nfs/dbraw/zinc/83/05/63/351830563.db2.gz LZSCZJAQPXMCAW-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN C[C@H](c1ccccn1)[C@@H](O)C(C)(F)F ZINC000300876501 363092765 /nfs/dbraw/zinc/09/27/65/363092765.db2.gz LYCJJUBBSNDGBG-VXNVDRBHSA-N 0 0 201.216 2.201 10 0 BEAERN O=C(CC1CCC1)Nc1cnc(Cl)cn1 ZINC000232113000 351814766 /nfs/dbraw/zinc/81/47/66/351814766.db2.gz WSBCGZFWKLYXRY-UHFFFAOYSA-N 0 0 225.679 2.259 10 0 BEAERN CC(C)NS(=O)(=O)c1cccc2occc21 ZINC000725269372 538101446 /nfs/dbraw/zinc/10/14/46/538101446.db2.gz JJNUVICGBTZSSK-UHFFFAOYSA-N 0 0 239.296 2.120 10 0 BEAERN CC(C)n1ccnc1CN1[C@H](C)COC[C@H]1C ZINC000172668911 351839604 /nfs/dbraw/zinc/83/96/04/351839604.db2.gz OZWOMXBDGOFGLZ-VXGBXAGGSA-N 0 0 237.347 2.073 10 0 BEAERN C[C@H]1CN(C2=NC(=O)CS2)C[C@H](C)S1 ZINC000307281804 351844343 /nfs/dbraw/zinc/84/43/43/351844343.db2.gz KEOPSLQAPYZAAK-BQBZGAKWSA-N 0 0 230.358 2.179 10 0 BEAERN Cn1cc(CO)c2cc(Br)ccc21 ZINC000077012729 180652401 /nfs/dbraw/zinc/65/24/01/180652401.db2.gz YFQHVYZRTVNHSP-UHFFFAOYSA-N 0 0 240.100 2.433 10 0 BEAERN COC(=O)c1c(C)c(F)cc(F)c1F ZINC000307291101 351898226 /nfs/dbraw/zinc/89/82/26/351898226.db2.gz JFRNSLMKZGZUEA-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN Cn1cc(C(F)F)c(-c2ccc(C=O)o2)n1 ZINC000725269636 538101748 /nfs/dbraw/zinc/10/17/48/538101748.db2.gz BJHAAGVWNKLGPU-UHFFFAOYSA-N 0 0 226.182 2.430 10 0 BEAERN O=c1cc(-c2ccsc2Cl)cn[nH]1 ZINC000307333955 352046213 /nfs/dbraw/zinc/04/62/13/352046213.db2.gz LSLFZAAYBBECHX-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN Nc1cc(-c2coc(Br)c2)[nH]n1 ZINC000307335050 352054103 /nfs/dbraw/zinc/05/41/03/352054103.db2.gz GDOTWUMJEIDAEP-UHFFFAOYSA-N 0 0 228.049 2.014 10 0 BEAERN COc1cc(O)c(F)cc1Br ZINC000307337282 352056294 /nfs/dbraw/zinc/05/62/94/352056294.db2.gz RWJAXFGZQFYKHC-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN CC1=CC[C@H](CN=[S@](C)(=O)N(C)C)CC1 ZINC000725270437 538101992 /nfs/dbraw/zinc/10/19/92/538101992.db2.gz LBIIBMLTSFNYTO-NHYWBVRUSA-N 0 0 230.377 2.307 10 0 BEAERN Ic1cccc2c1OCC2 ZINC000026340270 187592926 /nfs/dbraw/zinc/59/29/26/187592926.db2.gz IASDAJCCAFGOCE-UHFFFAOYSA-N 0 0 246.047 2.226 10 0 BEAERN CC(C)(O)C(=O)c1ccsc1Cl ZINC000307346351 352101800 /nfs/dbraw/zinc/10/18/00/352101800.db2.gz LOMHHKUJFNGHAM-UHFFFAOYSA-N 0 0 204.678 2.355 10 0 BEAERN Cc1ccc(CCO)cc1Br ZINC000049588081 187608833 /nfs/dbraw/zinc/60/88/33/187608833.db2.gz DOYYSYRSTGSCDJ-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN Cc1ccc(N)c(C(=O)NCc2ccco2)c1 ZINC000050201071 187609514 /nfs/dbraw/zinc/60/95/14/187609514.db2.gz QUJFSKNDABDJIC-UHFFFAOYSA-N 0 0 230.267 2.100 10 0 BEAERN CC(C)[C@H]([NH2+]Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000051754358 187610291 /nfs/dbraw/zinc/61/02/91/187610291.db2.gz VCTBNGGAZFQYMD-ZDUSSCGKSA-N 0 0 246.310 2.367 10 0 BEAERN CC(C)N(C)C(=O)CNc1ccc(F)cc1 ZINC000058946901 187612597 /nfs/dbraw/zinc/61/25/97/187612597.db2.gz RPAIXWPIFDOWDP-UHFFFAOYSA-N 0 0 224.279 2.104 10 0 BEAERN CC(C)Cn1ccnc(N[C@@H]2CC2(C)C)c1=O ZINC000061766059 187612973 /nfs/dbraw/zinc/61/29/73/187612973.db2.gz RVCYJVWGWOAZEB-SNVBAGLBSA-N 0 0 235.331 2.110 10 0 BEAERN Fc1ccc(-c2nc(-c3cnccn3)n[nH]2)cc1 ZINC000040175826 352193350 /nfs/dbraw/zinc/19/33/50/352193350.db2.gz LPOUGQHKOYYIPT-UHFFFAOYSA-N 0 0 241.229 2.068 10 0 BEAERN CC(C)(C)Oc1cncc(Br)n1 ZINC000044119884 187606936 /nfs/dbraw/zinc/60/69/36/187606936.db2.gz REDUJHFGOHTXQK-UHFFFAOYSA-N 0 0 231.093 2.416 10 0 BEAERN Cc1cccc([C@H](C[NH3+])C2(C(=O)[O-])CCC2)c1 ZINC000536953961 538102252 /nfs/dbraw/zinc/10/22/52/538102252.db2.gz MJXBJZASJIEBPG-LBPRGKRZSA-N 0 0 233.311 2.292 10 0 BEAERN CCOC(=O)[C@@H](CC(=O)CC(C)(C)C)C(C)=O ZINC000536953949 538102331 /nfs/dbraw/zinc/10/23/31/538102331.db2.gz MAEPMGGGLPPEOV-NSHDSACASA-N 0 0 242.315 2.150 10 0 BEAERN C[C@H]1C[C@H](C(=O)c2cn[nH]n2)C[C@@H](C)C1 ZINC000252123163 363129808 /nfs/dbraw/zinc/12/98/08/363129808.db2.gz LBLNBINUHOLNIQ-BRPSZJMVSA-N 0 0 207.277 2.060 10 0 BEAERN COC[C@H](C)C(=O)N(C)Cc1ccccc1F ZINC000103359318 187642813 /nfs/dbraw/zinc/64/28/13/187642813.db2.gz OCPBCMLHMVOYHA-JTQLQIEISA-N 0 0 239.290 2.067 10 0 BEAERN Cc1cc(C(=O)Cc2ccsc2)nn1C ZINC000300937494 363169065 /nfs/dbraw/zinc/16/90/65/363169065.db2.gz RUDSFYUYMFXXQH-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN CC(=O)c1[nH]c(C)cc1Br ZINC000082381908 187660357 /nfs/dbraw/zinc/66/03/57/187660357.db2.gz MVPWQVBIRSCLQM-UHFFFAOYSA-N 0 0 202.051 2.288 10 0 BEAERN CC(C)(C)c1noc(-c2csc(N)n2)n1 ZINC000055189457 187663265 /nfs/dbraw/zinc/66/32/65/187663265.db2.gz ZGVVKSVRPFGMSM-UHFFFAOYSA-N 0 0 224.289 2.073 10 0 BEAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)C ZINC000122426583 187665303 /nfs/dbraw/zinc/66/53/03/187665303.db2.gz DMJUBSXQRVGJBN-MNOVXSKESA-N 0 0 212.337 2.472 10 0 BEAERN CC(=O)N[C@@H](C)c1cn(C)c2ccccc12 ZINC000096675513 187673423 /nfs/dbraw/zinc/67/34/23/187673423.db2.gz SJFPOLULXKFICM-VIFPVBQESA-N 0 0 216.284 2.375 10 0 BEAERN COc1ccc(N)c(F)c1OC(F)(F)F ZINC000396107832 352348750 /nfs/dbraw/zinc/34/87/50/352348750.db2.gz USGZNXDJGMLRMW-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN Cc1c2c(C=O)c[nH]c2ncc1Br ZINC000044712647 352384326 /nfs/dbraw/zinc/38/43/26/352384326.db2.gz RYOCJWOPNWCFHX-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN CC(C)CC(=O)N[C@H]1CCc2c1cccc2N ZINC000725271437 538103159 /nfs/dbraw/zinc/10/31/59/538103159.db2.gz MWBXOIJTSDZEMQ-ZDUSSCGKSA-N 0 0 232.327 2.418 10 0 BEAERN Cc1ccncc1N[C@@H](C)Cn1cccn1 ZINC000138909282 191200082 /nfs/dbraw/zinc/20/00/82/191200082.db2.gz PXARNQWZVMOWDX-NSHDSACASA-N 0 0 216.288 2.087 10 0 BEAERN CC(C)COCCNc1ncncc1Cl ZINC000163658918 187708194 /nfs/dbraw/zinc/70/81/94/187708194.db2.gz BFVXQQDCAWCPSA-UHFFFAOYSA-N 0 0 229.711 2.215 10 0 BEAERN CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000725271959 538103735 /nfs/dbraw/zinc/10/37/35/538103735.db2.gz WSUZLLBJWWFDJQ-BWZBUEFSSA-N 0 0 239.237 2.028 10 0 BEAERN O=C1C[C@@H](c2cccc(F)c2Br)N1 ZINC000307368596 352454299 /nfs/dbraw/zinc/45/42/99/352454299.db2.gz NGXQAIWZLBOGAR-ZETCQYMHSA-N 0 0 244.063 2.149 10 0 BEAERN COC(=O)Cc1cc(Cl)c(C)cc1C#N ZINC000396144055 352463556 /nfs/dbraw/zinc/46/35/56/352463556.db2.gz ODNWMKYKXCDRRK-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN Cc1cc(C(=O)C(F)(F)Cl)sn1 ZINC000307414267 352588789 /nfs/dbraw/zinc/58/87/89/352588789.db2.gz SQEQFAWAWXDYGW-UHFFFAOYSA-N 0 0 211.620 2.466 10 0 BEAERN CCc1nn2c3c(nc2s1)[C@H](C)CC3 ZINC000232279209 352592769 /nfs/dbraw/zinc/59/27/69/352592769.db2.gz WKSJXCFMBPIYPJ-ZCFIWIBFSA-N 0 0 207.302 2.403 10 0 BEAERN O=Cc1ccnc(Cl)c1OC(F)F ZINC000307431151 352594921 /nfs/dbraw/zinc/59/49/21/352594921.db2.gz KZVXLAKNOMXZHJ-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN Cc1ncc(-c2nc(C=O)cs2)s1 ZINC000307449891 352603037 /nfs/dbraw/zinc/60/30/37/352603037.db2.gz NOWUQGZMZQHPOW-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN C[C@@H](Nc1cnns1)c1nccs1 ZINC000232292252 352606752 /nfs/dbraw/zinc/60/67/52/352606752.db2.gz GWFIZTMKPANVTO-RXMQYKEDSA-N 0 0 212.303 2.168 10 0 BEAERN C[C@H]1SCCC[C@]1(O)c1ccsn1 ZINC000307471952 352613947 /nfs/dbraw/zinc/61/39/47/352613947.db2.gz QERHXYASBUPBIQ-VXNVDRBHSA-N 0 0 215.343 2.246 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)C(F)(F)Cl)C1 ZINC000307465761 352615291 /nfs/dbraw/zinc/61/52/91/352615291.db2.gz AKWOGVDGHOHGJX-RITPCOANSA-N 0 0 211.639 2.123 10 0 BEAERN CC[S@](=O)Nc1ccc(Cl)nc1C ZINC000307474685 352616069 /nfs/dbraw/zinc/61/60/69/352616069.db2.gz AJCGAVRFDNJDMY-ZDUSSCGKSA-N 0 0 218.709 2.139 10 0 BEAERN CCCCC(=O)[C@H](C(=O)OCC)C(F)(F)F ZINC000498036364 352569992 /nfs/dbraw/zinc/56/99/92/352569992.db2.gz DBGNGAPVYJEOEE-MRVPVSSYSA-N 0 0 240.221 2.487 10 0 BEAERN FC1(F)CCCC[C@@H]1NC1CSC1 ZINC000307474838 352617125 /nfs/dbraw/zinc/61/71/25/352617125.db2.gz SUVRHGXHHKRNSC-QMMMGPOBSA-N 0 0 207.289 2.269 10 0 BEAERN Brc1cnc(-c2ccns2)cn1 ZINC000307396677 352570438 /nfs/dbraw/zinc/57/04/38/352570438.db2.gz SCWRGTPKEKAWGL-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN OCC1(Oc2cccc(Cl)c2F)CC1 ZINC000300732442 352571555 /nfs/dbraw/zinc/57/15/55/352571555.db2.gz FDOOJMDQUCZHPU-UHFFFAOYSA-N 0 0 216.639 2.383 10 0 BEAERN CSC1CCN(c2ncc(N)s2)CC1 ZINC000300811765 352575342 /nfs/dbraw/zinc/57/53/42/352575342.db2.gz HGCNORUYOIHSCT-UHFFFAOYSA-N 0 0 229.374 2.057 10 0 BEAERN Cc1cc(C(=O)OC(C)C)nc(Cl)n1 ZINC000300865536 352577637 /nfs/dbraw/zinc/57/76/37/352577637.db2.gz JJKCIKMKRBXWMB-UHFFFAOYSA-N 0 0 214.652 2.004 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000307401476 352578280 /nfs/dbraw/zinc/57/82/80/352578280.db2.gz AVCKGECOMRRMST-ZCFIWIBFSA-N 0 0 209.623 2.043 10 0 BEAERN O=C1C[C@@H](C(F)(F)F)N(Cc2ccccc2)C1 ZINC000725272875 538104644 /nfs/dbraw/zinc/10/46/44/538104644.db2.gz TVQBPUIKDIXCQB-NSHDSACASA-N 0 0 243.228 2.392 10 0 BEAERN FC[C@H](c1cccs1)N1CCOCC1 ZINC000307404576 352579848 /nfs/dbraw/zinc/57/98/48/352579848.db2.gz LAUJQJHEASJROR-SECBINFHSA-N 0 0 215.293 2.091 10 0 BEAERN Cc1ccc(C(=O)c2ccsn2)nc1C ZINC000307535126 352639807 /nfs/dbraw/zinc/63/98/07/352639807.db2.gz QLWDPPYWDMXQSX-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCC12CCCC2 ZINC000307534788 352640744 /nfs/dbraw/zinc/64/07/44/352640744.db2.gz HSXWRACZHBXTBN-JTQLQIEISA-N 0 0 211.305 2.116 10 0 BEAERN CC1(C)CCCN(C2=NC(=O)CS2)C1 ZINC000307539298 352643593 /nfs/dbraw/zinc/64/35/93/352643593.db2.gz UFPGPQRKQSYHNI-UHFFFAOYSA-N 0 0 212.318 2.475 10 0 BEAERN C[C@@H]1Sc2cc(F)c(F)cc2NC1=O ZINC000307542688 352645764 /nfs/dbraw/zinc/64/57/64/352645764.db2.gz ZPWWMZWCHYSNBJ-BYPYZUCNSA-N 0 0 215.224 2.398 10 0 BEAERN C[C@H]1C[C@H]1c1n[nH]cc1I ZINC000307548838 352647383 /nfs/dbraw/zinc/64/73/83/352647383.db2.gz OWPCVFBHGOSMSS-CRCLSJGQSA-N 0 0 248.067 2.138 10 0 BEAERN Clc1cncc(NCC[C@H]2CCCO2)n1 ZINC000044377298 352652579 /nfs/dbraw/zinc/65/25/79/352652579.db2.gz AORXVUWVMNDLGF-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN Clc1cnc(Cc2nccs2)cn1 ZINC000307580318 352659375 /nfs/dbraw/zinc/65/93/75/352659375.db2.gz WSFXTABHIIYNEB-UHFFFAOYSA-N 0 0 211.677 2.177 10 0 BEAERN CC1(C)C[C@H]1NC(=O)C1(Br)CCC1 ZINC000307581780 352659771 /nfs/dbraw/zinc/65/97/71/352659771.db2.gz SFMLFYGDLNWFBI-SSDOTTSWSA-N 0 0 246.148 2.219 10 0 BEAERN Nc1ccc(CN2CCC2)cc1Br ZINC000307588687 352660454 /nfs/dbraw/zinc/66/04/54/352660454.db2.gz YDZKNSHNNGZQKR-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN CSc1ccc(NC(N)=O)cc1F ZINC000307587690 352662100 /nfs/dbraw/zinc/66/21/00/352662100.db2.gz UZZRUPSJUSJREW-UHFFFAOYSA-N 0 0 200.238 2.038 10 0 BEAERN CON(C)c1c(N)ccc(Cl)c1F ZINC000307585096 352662162 /nfs/dbraw/zinc/66/21/62/352662162.db2.gz KLLXODZYMOYNEL-UHFFFAOYSA-N 0 0 204.632 2.059 10 0 BEAERN Cc1cnc([C@H]2N[C@@H](C)CS2)s1 ZINC000307595162 352665293 /nfs/dbraw/zinc/66/52/93/352665293.db2.gz JXGSQSNTMUNONR-XNCJUZBTSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1cc(Cl)nc(Cl)c1N[S@](C)=O ZINC000307608667 352667142 /nfs/dbraw/zinc/66/71/42/352667142.db2.gz GYIBHJCCSUOGLT-ZDUSSCGKSA-N 0 0 239.127 2.402 10 0 BEAERN Cc1ccsc1[C@]1(C)CC[C@@H](CO)O1 ZINC000307481274 352620957 /nfs/dbraw/zinc/62/09/57/352620957.db2.gz PLSADXVCYXLAPO-ONGXEEELSA-N 0 0 212.314 2.443 10 0 BEAERN C[C@H](CO)Nc1ccc(Cl)c(F)c1 ZINC000307495481 352625339 /nfs/dbraw/zinc/62/53/39/352625339.db2.gz RLCKOPVEXGQPDN-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN Cc1nn(C)cc1C(=O)[C@@H]1CCC[C@@H]1C ZINC000307499087 352626954 /nfs/dbraw/zinc/62/69/54/352626954.db2.gz KXWRTRLWUVITJV-WCBMZHEXSA-N 0 0 206.289 2.347 10 0 BEAERN Clc1nncn1C[C@H]1CCCSC1 ZINC000307509658 352628407 /nfs/dbraw/zinc/62/84/07/352628407.db2.gz BGVTVKGIDGHCAY-SSDOTTSWSA-N 0 0 217.725 2.075 10 0 BEAERN Cc1nc(C(=O)C(F)(F)Cl)cs1 ZINC000307513996 352632324 /nfs/dbraw/zinc/63/23/24/352632324.db2.gz QYTCKUBOKXABBU-UHFFFAOYSA-N 0 0 211.620 2.466 10 0 BEAERN C=C(Cl)C(=O)Nc1cccnc1Cl ZINC000307618598 352675601 /nfs/dbraw/zinc/67/56/01/352675601.db2.gz ZECNZXYKQSDACX-UHFFFAOYSA-N 0 0 217.055 2.426 10 0 BEAERN CCc1c(C)nn([C@@H]2CCOC2)c1Cl ZINC000307639683 352725894 /nfs/dbraw/zinc/72/58/94/352725894.db2.gz FWQXTMMZECQYHI-MRVPVSSYSA-N 0 0 214.696 2.369 10 0 BEAERN CC(F)(F)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000335695438 535188223 /nfs/dbraw/zinc/18/82/23/535188223.db2.gz FGVWRUURVMRELV-UWVGGRQHSA-N 0 0 247.285 2.202 10 0 BEAERN CC(C)(C)[C@@H](O)[C@@H](O)c1ccsc1 ZINC000232499787 352810106 /nfs/dbraw/zinc/81/01/06/352810106.db2.gz NNVRAZIUFGFMLN-IUCAKERBSA-N 0 0 200.303 2.189 10 0 BEAERN O=C([C@@H]1CCCC1(F)F)N1CCCC1 ZINC000307686442 352863723 /nfs/dbraw/zinc/86/37/23/352863723.db2.gz AYKKPJPDYFNFOA-QMMMGPOBSA-N 0 0 203.232 2.044 10 0 BEAERN CCn1nccc1-c1ccc(C(C)=O)nc1 ZINC000623168520 352934012 /nfs/dbraw/zinc/93/40/12/352934012.db2.gz YUYHEBXCXBQQBS-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN Cc1cc(C)nc(-c2nc(Cl)no2)c1 ZINC000307699650 352975932 /nfs/dbraw/zinc/97/59/32/352975932.db2.gz PBBKUESSVJGDJI-UHFFFAOYSA-N 0 0 209.636 2.402 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)COC(C)(C)C)C1 ZINC000135872324 535192248 /nfs/dbraw/zinc/19/22/48/535192248.db2.gz ILHFFGCQTPKVRJ-NSHDSACASA-N 0 0 227.348 2.306 10 0 BEAERN COc1nc([C@@]2(C)CCC(=O)C2)cs1 ZINC000307696202 352963325 /nfs/dbraw/zinc/96/33/25/352963325.db2.gz JZNUEOOIXKXQFU-JTQLQIEISA-N 0 0 211.286 2.162 10 0 BEAERN COc1ccc(C)cc1C(=O)C(F)F ZINC000158648531 323945581 /nfs/dbraw/zinc/94/55/81/323945581.db2.gz IMZMOVCYSBFAJI-UHFFFAOYSA-N 0 0 200.184 2.451 10 0 BEAERN CCOc1ccccc1-c1nc(C)c(C)c(=O)[nH]1 ZINC000037947716 187942367 /nfs/dbraw/zinc/94/23/67/187942367.db2.gz CFBYUOZAVNQSHZ-UHFFFAOYSA-N 0 0 244.294 2.452 10 0 BEAERN COc1nccnc1NCc1ccccc1 ZINC000306634853 353030888 /nfs/dbraw/zinc/03/08/88/353030888.db2.gz XIEAMTYJYKCAJN-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN O=C(C(F)F)N1CCCC12CCCC2 ZINC000306660416 353032967 /nfs/dbraw/zinc/03/29/67/353032967.db2.gz MWMGSUUOVSIUMK-UHFFFAOYSA-N 0 0 203.232 2.187 10 0 BEAERN Cc1sccc1[C@@H](NN)C(C)(F)F ZINC000306251468 353000125 /nfs/dbraw/zinc/00/01/25/353000125.db2.gz ZWXQQFFTDZDJPC-SSDOTTSWSA-N 0 0 206.261 2.216 10 0 BEAERN Cc1nnc(NCC2(F)CCC2)s1 ZINC000306263466 353001150 /nfs/dbraw/zinc/00/11/50/353001150.db2.gz NGUIJYSUNXWEFE-UHFFFAOYSA-N 0 0 201.270 2.151 10 0 BEAERN COc1ccc([C@](C)(O)c2cccnc2)cc1 ZINC000037761297 187940452 /nfs/dbraw/zinc/94/04/52/187940452.db2.gz FRKKHSDLDLXPDQ-AWEZNQCLSA-N 0 0 229.279 2.346 10 0 BEAERN C[C@@H](Nc1ncc(N)s1)C(F)(F)F ZINC000307224578 353061619 /nfs/dbraw/zinc/06/16/19/353061619.db2.gz BQDHZWHXJNIFGE-GSVOUGTGSA-N 0 0 211.212 2.088 10 0 BEAERN CC(=O)Nc1cccc2[nH]c(=S)[nH]c21 ZINC000089195074 187972400 /nfs/dbraw/zinc/97/24/00/187972400.db2.gz WIMQCLXGIZNSTI-UHFFFAOYSA-N 0 0 207.258 2.184 10 0 BEAERN CCc1nc([C@@H]2NCCS2)cs1 ZINC000307330878 353068790 /nfs/dbraw/zinc/06/87/90/353068790.db2.gz OELXCOKMUGHHBE-MRVPVSSYSA-N 0 0 200.332 2.041 10 0 BEAERN Cc1c(Br)cccc1N[S@@](C)=O ZINC000306811021 353040570 /nfs/dbraw/zinc/04/05/70/353040570.db2.gz VVFAVXPBYDUVPP-GFCCVEGCSA-N 0 0 248.145 2.463 10 0 BEAERN CC(C)OCn1ccc(Br)n1 ZINC000306934899 353046105 /nfs/dbraw/zinc/04/61/05/353046105.db2.gz DIPRTAUEFZTAHY-UHFFFAOYSA-N 0 0 219.082 2.028 10 0 BEAERN CCCn1c(C(C)(F)F)n[nH]c1=S ZINC000306937759 353046754 /nfs/dbraw/zinc/04/67/54/353046754.db2.gz JFBAFKGPFKHCJU-UHFFFAOYSA-N 0 0 207.249 2.089 10 0 BEAERN OC[C@@H](NO)c1cccc(Cl)c1Cl ZINC000306972240 353048040 /nfs/dbraw/zinc/04/80/40/353048040.db2.gz UBNWNBYVMIMFNN-SSDOTTSWSA-N 0 0 222.071 2.006 10 0 BEAERN CC(C)[C@H](O)CC(=O)Nc1ccccc1 ZINC000209267504 188000108 /nfs/dbraw/zinc/00/01/08/188000108.db2.gz KJPNIJHQYGSMGP-LLVKDONJSA-N 0 0 207.273 2.032 10 0 BEAERN Cc1ccc(N)c(C)c1NC(=O)C(C)C ZINC000019429999 188002359 /nfs/dbraw/zinc/00/23/59/188002359.db2.gz QMHNLNFDLDOOMS-UHFFFAOYSA-N 0 0 206.289 2.480 10 0 BEAERN CC(=O)CC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000019410233 188002379 /nfs/dbraw/zinc/00/23/79/188002379.db2.gz ZFRQWRWOFYQQIH-UHFFFAOYSA-N 0 0 239.702 2.278 10 0 BEAERN COc1cc(NC#N)c(OC)cc1Cl ZINC000052832068 353108421 /nfs/dbraw/zinc/10/84/21/353108421.db2.gz VXDDGOQZBBDNJI-UHFFFAOYSA-N 0 0 212.636 2.250 10 0 BEAERN N#CNCc1ccccc1Br ZINC000052832650 353108628 /nfs/dbraw/zinc/10/86/28/353108628.db2.gz GAOSRHHUZOCEFP-UHFFFAOYSA-N 0 0 211.062 2.020 10 0 BEAERN CC(C)C[C@H](C)n1cnc(Cl)c(N)c1=O ZINC000307720932 353110854 /nfs/dbraw/zinc/11/08/54/353110854.db2.gz VDPCCMFNMAYGQX-ZETCQYMHSA-N 0 0 229.711 2.086 10 0 BEAERN Cc1nc2sncc2c(Br)n1 ZINC000082348171 188003085 /nfs/dbraw/zinc/00/30/85/188003085.db2.gz HAWNSQOBPBLNPW-UHFFFAOYSA-N 0 0 230.090 2.157 10 0 BEAERN COc1c(N)ccc(C(F)(F)F)c1F ZINC000307452499 353077454 /nfs/dbraw/zinc/07/74/54/353077454.db2.gz VUZQLLQMICHIDC-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC[C@H](O)c1ccc(N)cc1Br ZINC000307476362 353078922 /nfs/dbraw/zinc/07/89/22/353078922.db2.gz ZNHSUFSBUZUWCX-VIFPVBQESA-N 0 0 230.105 2.475 10 0 BEAERN CC(C)C(=O)Nc1ccnc(Br)c1 ZINC000307555688 353084293 /nfs/dbraw/zinc/08/42/93/353084293.db2.gz TVJHJGIUSSTDSN-UHFFFAOYSA-N 0 0 243.104 2.439 10 0 BEAERN CCCCCN1c2cc(OC)ccc2C(=O)C1=O ZINC000042076795 168693829 /nfs/dbraw/zinc/69/38/29/168693829.db2.gz VIQNGOMWKQCPMI-UHFFFAOYSA-N 0 0 247.294 2.415 10 0 BEAERN Cc1cc(C(=O)c2ncccc2C)sn1 ZINC000307744905 353125599 /nfs/dbraw/zinc/12/55/99/353125599.db2.gz PZTXANBYUCALDW-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN Clc1ccnc([C@@H]2CCSC2)n1 ZINC000405136995 353126052 /nfs/dbraw/zinc/12/60/52/353126052.db2.gz JXCLBYHKTXVYKC-ZCFIWIBFSA-N 0 0 200.694 2.351 10 0 BEAERN O=Cc1ccc(Br)cc1N1CCC1 ZINC000307756044 353129740 /nfs/dbraw/zinc/12/97/40/353129740.db2.gz GNVRUBLEYKNCHE-UHFFFAOYSA-N 0 0 240.100 2.472 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000248293868 188019512 /nfs/dbraw/zinc/01/95/12/188019512.db2.gz VPQVFLWWPVDMBD-AAEUAGOBSA-N 0 0 247.338 2.398 10 0 BEAERN O=C(COc1ccccc1)c1ccc[nH]1 ZINC000232579085 353137303 /nfs/dbraw/zinc/13/73/03/353137303.db2.gz QXLBBUPMTGTMEK-UHFFFAOYSA-N 0 0 201.225 2.276 10 0 BEAERN S=C1N=NC(Cc2cccc(Cl)c2)N1 ZINC000052945172 353137841 /nfs/dbraw/zinc/13/78/41/353137841.db2.gz CZBPRUBOQCHTBJ-UHFFFAOYSA-N 0 0 225.704 2.338 10 0 BEAERN Cc1ccc(Br)cc1C(=O)C=O ZINC000077340633 188049081 /nfs/dbraw/zinc/04/90/81/188049081.db2.gz DKJPVNUAASBRRL-UHFFFAOYSA-N 0 0 227.057 2.139 10 0 BEAERN CCOC1=N[C@H](Cc2ccccc2)CO1 ZINC000215664429 188049863 /nfs/dbraw/zinc/04/98/63/188049863.db2.gz SOTSLNCHGSUMMT-LLVKDONJSA-N 0 0 205.257 2.020 10 0 BEAERN C1=C(Cn2nnnc2C2CCOCC2)CCCC1 ZINC000333509473 188054076 /nfs/dbraw/zinc/05/40/76/188054076.db2.gz IVCWNLCIDOMHLK-UHFFFAOYSA-N 0 0 248.330 2.068 10 0 BEAERN CC[C@@H](C)N=c1[nH]c2cccnc2s1 ZINC000536958368 323970124 /nfs/dbraw/zinc/97/01/24/323970124.db2.gz JWAJYUBGNAKLMX-SSDOTTSWSA-N 0 0 207.302 2.324 10 0 BEAERN CC1(C)CCC(Cn2cnc(N)n2)CC1 ZINC000308922618 538109058 /nfs/dbraw/zinc/10/90/58/538109058.db2.gz PGFSFYHEAICJBC-UHFFFAOYSA-N 0 0 208.309 2.077 10 0 BEAERN COC(OC)[C@@H](CC(C)C)C(=O)C1CC1 ZINC000308940737 538109535 /nfs/dbraw/zinc/10/95/35/538109535.db2.gz RYBKEKXPNFDJPC-JTQLQIEISA-N 0 0 214.305 2.247 10 0 BEAERN CC(C)(C)OC(=O)[C@@H](N)c1ccc(F)cc1 ZINC000309042512 538110213 /nfs/dbraw/zinc/11/02/13/538110213.db2.gz MRFBMIHHIQLHLO-JTQLQIEISA-N 0 0 225.263 2.167 10 0 BEAERN CC[C@H]1CCC(=O)[C@@H](C(OC)OC)C1 ZINC000121998896 538110304 /nfs/dbraw/zinc/11/03/04/538110304.db2.gz JSWCTMZUHHQGOO-IUCAKERBSA-N 0 0 200.278 2.001 10 0 BEAERN CC[C@H]1CCC(=O)[C@H](C(OC)OC)C1 ZINC000121998467 538110308 /nfs/dbraw/zinc/11/03/08/538110308.db2.gz JSWCTMZUHHQGOO-DTWKUNHWSA-N 0 0 200.278 2.001 10 0 BEAERN Cc1cc(N)cc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000638978979 353186782 /nfs/dbraw/zinc/18/67/82/353186782.db2.gz CUXJYETZVBOMLX-BXKDBHETSA-N 0 0 234.299 2.083 10 0 BEAERN CCc1ccccc1[C@H](O)c1cn[nH]c1 ZINC000309093333 538110382 /nfs/dbraw/zinc/11/03/82/538110382.db2.gz FRXPRVWYEGXZKR-GFCCVEGCSA-N 0 0 202.257 2.054 10 0 BEAERN FC(F)(F)CNc1ccc2c(c1)OCCO2 ZINC000020049398 180884448 /nfs/dbraw/zinc/88/44/48/180884448.db2.gz QSBFXFYKMZSGGZ-UHFFFAOYSA-N 0 0 233.189 2.432 10 0 BEAERN O[C@H](c1cn[nH]c1)c1cc(F)ccc1Cl ZINC000309119987 538110515 /nfs/dbraw/zinc/11/05/15/538110515.db2.gz STPYOSXAYGKLBJ-SNVBAGLBSA-N 0 0 226.638 2.284 10 0 BEAERN FC(F)(F)[C@@H]1CC[C@@H](C(F)(F)F)N1 ZINC000047845113 180889832 /nfs/dbraw/zinc/88/98/32/180889832.db2.gz FZRPBFXDCLGOOC-IMJSIDKUSA-N 0 0 207.117 2.232 10 0 BEAERN CCOCCn1c(=S)[nH]nc1C(C)C ZINC000036230083 538110676 /nfs/dbraw/zinc/11/06/76/538110676.db2.gz IECWNVFYZNDJTF-UHFFFAOYSA-N 0 0 215.322 2.101 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000134355629 538111908 /nfs/dbraw/zinc/11/19/08/538111908.db2.gz DREGKUTYUBDUCQ-JFGNBEQYSA-N 0 0 225.332 2.152 10 0 BEAERN CC[C@H](O)c1nc(Br)cs1 ZINC000127754517 353272100 /nfs/dbraw/zinc/27/21/00/353272100.db2.gz IDDVXUMERLXOKO-BYPYZUCNSA-N 0 0 222.107 2.349 10 0 BEAERN C[C@@H](NN)c1cc(F)ccc1Br ZINC000127214421 353265484 /nfs/dbraw/zinc/26/54/84/353265484.db2.gz XOMPYEFQDGQGEM-RXMQYKEDSA-N 0 0 233.084 2.113 10 0 BEAERN Cc1cc([C@H](O)[C@H](O)C(C)C)cs1 ZINC000232712187 353266210 /nfs/dbraw/zinc/26/62/10/353266210.db2.gz ZUNILRCXBNOUBG-ZJUUUORDSA-N 0 0 200.303 2.107 10 0 BEAERN Cc1ccc(F)cc1C(=O)[C@H](O)C(C)C ZINC000232719197 353268337 /nfs/dbraw/zinc/26/83/37/353268337.db2.gz KYSJSFVPWSIFRR-LLVKDONJSA-N 0 0 210.248 2.334 10 0 BEAERN Cc1cc(C(=O)[C@H](O)C(C)C)ccc1F ZINC000232720097 353269037 /nfs/dbraw/zinc/26/90/37/353269037.db2.gz IGRKSELFZDUINB-LLVKDONJSA-N 0 0 210.248 2.334 10 0 BEAERN Cc1cc(C(C)(C)C)cc(S(N)(=O)=O)c1C ZINC000001434133 188245575 /nfs/dbraw/zinc/24/55/75/188245575.db2.gz YIENQRUWUXVMNW-UHFFFAOYSA-N 0 0 241.356 2.248 10 0 BEAERN CN(C(=O)C1(C)CCCCC1)[C@@H]1CCOC1 ZINC000121686841 188248760 /nfs/dbraw/zinc/24/87/60/188248760.db2.gz JDQRBMXJDIVPIH-LLVKDONJSA-N 0 0 225.332 2.204 10 0 BEAERN Cc1csc(NC(C)(C)[C@@H](C)O)n1 ZINC000128431057 353291138 /nfs/dbraw/zinc/29/11/38/353291138.db2.gz KDTQBTDJQKBBLC-SSDOTTSWSA-N 0 0 200.307 2.023 10 0 BEAERN CC(=O)c1c[nH]c(NCc2ccccc2)n1 ZINC000196456410 188258797 /nfs/dbraw/zinc/25/87/97/188258797.db2.gz DNRGYGLQDXDLMB-UHFFFAOYSA-N 0 0 215.256 2.224 10 0 BEAERN O=c1[nH]c(-c2cccc(F)c2)nc2c1CCC2 ZINC000042401174 188257191 /nfs/dbraw/zinc/25/71/91/188257191.db2.gz YBRRBELUXHFAGR-UHFFFAOYSA-N 0 0 230.242 2.065 10 0 BEAERN COCc1ccc(C(=O)NC2(C)CCC2)o1 ZINC000125152684 188257417 /nfs/dbraw/zinc/25/74/17/188257417.db2.gz RPYQOWSQACFTFX-UHFFFAOYSA-N 0 0 223.272 2.098 10 0 BEAERN Cc1ccc(CCCC(=O)N[C@H](C)CCO)cc1 ZINC000123677979 188257517 /nfs/dbraw/zinc/25/75/17/188257517.db2.gz LUUVYMSYQIVLGV-CYBMUJFWSA-N 0 0 249.354 2.205 10 0 BEAERN CC(C)[C@H](O)Cc1nc(CC2CCCC2)no1 ZINC000340887427 188257741 /nfs/dbraw/zinc/25/77/41/188257741.db2.gz SDZJNQWKNHIFAL-LLVKDONJSA-N 0 0 238.331 2.362 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)CCc1ccccc1 ZINC000268682025 188262242 /nfs/dbraw/zinc/26/22/42/188262242.db2.gz GMUSUTSTDVJQNR-ZDUSSCGKSA-N 0 0 249.354 2.142 10 0 BEAERN C[C@H]1CC(CNc2cnccn2)C[C@H](C)O1 ZINC000281783668 188268595 /nfs/dbraw/zinc/26/85/95/188268595.db2.gz HCRQCBVJCNUCKC-UWVGGRQHSA-N 0 0 221.304 2.092 10 0 BEAERN CC(=O)N[C@@]12CCC[C@@H]3C[C@@H](CC[C@@H]31)C2 ZINC000003594359 188275991 /nfs/dbraw/zinc/27/59/91/188275991.db2.gz PZLXILFBALVYGT-FVCCEPFGSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1cc(Cl)cc2c1NC[C@H](CO)C2 ZINC000011985004 188279099 /nfs/dbraw/zinc/27/90/99/188279099.db2.gz FEDYURXVBULIFM-MRVPVSSYSA-N 0 0 211.692 2.225 10 0 BEAERN CC(=O)OCc1ccc(O)c(Cl)c1 ZINC000013386182 188279813 /nfs/dbraw/zinc/27/98/13/188279813.db2.gz XJCRCLIWLHNSQB-UHFFFAOYSA-N 0 0 200.621 2.109 10 0 BEAERN CC(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000019410824 188280908 /nfs/dbraw/zinc/28/09/08/188280908.db2.gz SVFUQNSSUSKLMN-SECBINFHSA-N 0 0 239.702 2.496 10 0 BEAERN Cc1ccc(N)c(C)c1NC(=O)[C@H]1C[C@@H]1C ZINC000019435040 188281030 /nfs/dbraw/zinc/28/10/30/188281030.db2.gz FQSFFKOYGDAYGI-WPRPVWTQSA-N 0 0 218.300 2.480 10 0 BEAERN Cc1c(N)cccc1C(=O)N(C)c1ccccn1 ZINC000019812069 188281971 /nfs/dbraw/zinc/28/19/71/188281971.db2.gz YDXJTCAOBWTCJH-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN Cc1cc(C)c(NC(=O)CC(N)=S)c(C)c1 ZINC000020433080 188282512 /nfs/dbraw/zinc/28/25/12/188282512.db2.gz CEANBXWZGBIUJD-UHFFFAOYSA-N 0 0 236.340 2.227 10 0 BEAERN CCOC1=N[C@@H](Cc2ccccc2)CO1 ZINC000039099385 188283213 /nfs/dbraw/zinc/28/32/13/188283213.db2.gz SOTSLNCHGSUMMT-NSHDSACASA-N 0 0 205.257 2.020 10 0 BEAERN Cc1nn(Cc2ccccc2)c(N)c1C ZINC000026512138 188283341 /nfs/dbraw/zinc/28/33/41/188283341.db2.gz IGMKAHMGHNSYJI-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1occc1C(=O)N(C)Cc1cccc(N)c1 ZINC000035063725 188284570 /nfs/dbraw/zinc/28/45/70/188284570.db2.gz FATFLQOJCCRAJU-UHFFFAOYSA-N 0 0 244.294 2.442 10 0 BEAERN CC(C)[C@@]1(C)CC(=O)N(c2cccc(N)c2)C1=O ZINC000035056396 188284664 /nfs/dbraw/zinc/28/46/64/188284664.db2.gz CISVGOYCZFVAAS-CQSZACIVSA-N 0 0 246.310 2.194 10 0 BEAERN Cc1occc1C(=O)N(C)Cc1ccccc1N ZINC000035064030 188284670 /nfs/dbraw/zinc/28/46/70/188284670.db2.gz PBDYBLHXXYFWEJ-UHFFFAOYSA-N 0 0 244.294 2.442 10 0 BEAERN CCCc1ccc(C(=O)CN2CCOCC2)cc1 ZINC000034988970 188284994 /nfs/dbraw/zinc/28/49/94/188284994.db2.gz KCAFDUJIQBPZIS-UHFFFAOYSA-N 0 0 247.338 2.154 10 0 BEAERN COc1ccc([C@H](N)c2noc(C(C)C)n2)cc1 ZINC000036763976 188285734 /nfs/dbraw/zinc/28/57/34/188285734.db2.gz XXJHIXDJCIRJDW-NSHDSACASA-N 0 0 247.298 2.250 10 0 BEAERN CC(C)[C@@H](CC(=O)[O-])[NH+]1CCCCCC1 ZINC000070821308 188287528 /nfs/dbraw/zinc/28/75/28/188287528.db2.gz OVFVFUFTHAAMAL-LLVKDONJSA-N 0 0 213.321 2.362 10 0 BEAERN CC(=O)CC(=O)N(Cc1ccccc1)C(C)C ZINC000037790597 188288165 /nfs/dbraw/zinc/28/81/65/188288165.db2.gz GOHWWOOTXRMARC-UHFFFAOYSA-N 0 0 233.311 2.403 10 0 BEAERN CC(=O)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000037839206 188288498 /nfs/dbraw/zinc/28/84/98/188288498.db2.gz GPRNDTGMOHRNQB-SNVBAGLBSA-N 0 0 237.274 2.324 10 0 BEAERN CC1(C)C=Cc2cc(O)c(C=O)cc2O1 ZINC000075604186 188290121 /nfs/dbraw/zinc/29/01/21/188290121.db2.gz MUOOROCNPQUEBG-UHFFFAOYSA-N 0 0 204.225 2.389 10 0 BEAERN CC(C)[C@@H]1Nc2ccc(F)cc2NC1=O ZINC000076641772 188290197 /nfs/dbraw/zinc/29/01/97/188290197.db2.gz RFXFJUOHDLRPGH-JTQLQIEISA-N 0 0 208.236 2.214 10 0 BEAERN CC[C@H]1C=CC(C)=C2N=c3sc(C)nc3=C21 ZINC000039102944 188290827 /nfs/dbraw/zinc/29/08/27/188290827.db2.gz VXBBHQSLYLFEDX-VIFPVBQESA-N 0 0 230.336 2.105 10 0 BEAERN CC(C)C[C@H](CO)Nc1ncnc2ccccc21 ZINC000040779223 188292789 /nfs/dbraw/zinc/29/27/89/188292789.db2.gz CIEZSXRSKIVQNH-LLVKDONJSA-N 0 0 245.326 2.449 10 0 BEAERN CCCn1ccnc1[C@@H](N)c1ccoc1C ZINC000041048479 188292991 /nfs/dbraw/zinc/29/29/91/188292991.db2.gz SVYSSWOSZNHFEV-NSHDSACASA-N 0 0 219.288 2.243 10 0 BEAERN CC(C)(C)c1c(CO)nnn1-c1cccc(F)c1 ZINC000045892580 188297160 /nfs/dbraw/zinc/29/71/60/188297160.db2.gz IHYDCRKCHWVBQD-UHFFFAOYSA-N 0 0 249.289 2.196 10 0 BEAERN Cc1ccc(C)c(NC(=O)CC[C@@H](C)O)c1 ZINC000049818396 188299166 /nfs/dbraw/zinc/29/91/66/188299166.db2.gz CIDQOYSGAFBUJJ-LLVKDONJSA-N 0 0 221.300 2.403 10 0 BEAERN Cc1nc(N)sc1-c1nncn1C1CCCC1 ZINC000055176688 188300305 /nfs/dbraw/zinc/30/03/05/188300305.db2.gz PMOFUQQZIFKUDR-UHFFFAOYSA-N 0 0 249.343 2.407 10 0 BEAERN Cc1nccc(CNc2ccc3c(c2)CCO3)n1 ZINC000054790532 188300844 /nfs/dbraw/zinc/30/08/44/188300844.db2.gz YATHJLAAPDFAMH-UHFFFAOYSA-N 0 0 241.294 2.332 10 0 BEAERN CCOC(=O)C1=C(O)CC[C@@H](C(C)C)C1 ZINC000054556964 188300928 /nfs/dbraw/zinc/30/09/28/188300928.db2.gz BSEGZDIJFOLZPJ-NXEZZACHSA-N 0 0 212.289 2.191 10 0 BEAERN CCCn1ccnc(N[C@@H](C)[C@@H](C)CC)c1=O ZINC000061764679 188302203 /nfs/dbraw/zinc/30/22/03/188302203.db2.gz MJCUDNJGBGSIAJ-QWRGUYRKSA-N 0 0 237.347 2.500 10 0 BEAERN Cc1ccn(CC(=O)c2cccc(F)c2)c(=O)c1 ZINC000061909304 188302549 /nfs/dbraw/zinc/30/25/49/188302549.db2.gz GXXBEPCZTCGDCQ-UHFFFAOYSA-N 0 0 245.253 2.179 10 0 BEAERN COC1(c2ncc(C=O)s2)CCCC1 ZINC000128927523 353305294 /nfs/dbraw/zinc/30/52/94/353305294.db2.gz ZGGPPMCFDYXVAL-UHFFFAOYSA-N 0 0 211.286 2.371 10 0 BEAERN Cc1cc(C)nc(N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000225875060 538114601 /nfs/dbraw/zinc/11/46/01/538114601.db2.gz GLDURNFKYDETLK-VXGBXAGGSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1c2c(c(N)cc1Br)[C@@H](O)CC2 ZINC000095935999 188321645 /nfs/dbraw/zinc/32/16/45/188321645.db2.gz BUBPHKIJBJFNSJ-VIFPVBQESA-N 0 0 242.116 2.319 10 0 BEAERN COc1ccc(CN(C)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075982526 188309701 /nfs/dbraw/zinc/30/97/01/188309701.db2.gz ZBNLMCQANFQRSK-MFKMUULPSA-N 0 0 248.326 2.245 10 0 BEAERN CC(=O)c1cnn2ccc(Br)cc12 ZINC000076684662 188311245 /nfs/dbraw/zinc/31/12/45/188311245.db2.gz PYDMJYONQKIAFL-UHFFFAOYSA-N 0 0 239.072 2.299 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2ccncc2Cl)C1 ZINC000308891916 491049470 /nfs/dbraw/zinc/04/94/70/491049470.db2.gz XHXTXAJMFIUEDK-DTWKUNHWSA-N 0 0 226.707 2.450 10 0 BEAERN CC(=O)Oc1ccc(-c2ncc[nH]2)cc1 ZINC000079415000 188312169 /nfs/dbraw/zinc/31/21/69/188312169.db2.gz SRBLASBRBIPNEM-UHFFFAOYSA-N 0 0 202.213 2.002 10 0 BEAERN CC(C)Cc1[nH]nc2c1nc(CC(C)C)[nH]c2=O ZINC000089212089 188317524 /nfs/dbraw/zinc/31/75/24/188317524.db2.gz GUBDRGCVQHTGJD-UHFFFAOYSA-N 0 0 248.330 2.043 10 0 BEAERN Clc1nc(Cl)c2c(n1)NCCC2 ZINC000088190154 188317977 /nfs/dbraw/zinc/31/79/77/188317977.db2.gz VAICOOVFEQDEAG-UHFFFAOYSA-N 0 0 204.060 2.142 10 0 BEAERN CSc1nccc(C=O)c1OC1CC1 ZINC000095733693 188319857 /nfs/dbraw/zinc/31/98/57/188319857.db2.gz UAWKPXJGFHHWAL-UHFFFAOYSA-N 0 0 209.270 2.157 10 0 BEAERN COc1ccc([C@@H](C)C(=O)NC(C)C)cc1 ZINC000107532675 188324940 /nfs/dbraw/zinc/32/49/40/188324940.db2.gz ZLZYGJGFVXAQBM-SNVBAGLBSA-N 0 0 221.300 2.323 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)Cc1cccnc1 ZINC000109354777 188326584 /nfs/dbraw/zinc/32/65/84/188326584.db2.gz OSEDZYJTGYPFNO-NSHDSACASA-N 0 0 235.331 2.268 10 0 BEAERN CCN(C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111890486 188326792 /nfs/dbraw/zinc/32/67/92/188326792.db2.gz WZBZTGYSNHTBDK-STQMWFEESA-N 0 0 232.327 2.451 10 0 BEAERN Nc1ccc(SCCn2cccn2)cc1 ZINC000049314738 188327457 /nfs/dbraw/zinc/32/74/57/188327457.db2.gz BACLFBKLYRXDCF-UHFFFAOYSA-N 0 0 219.313 2.258 10 0 BEAERN CC1(C)C[C@H]1C(=O)N1CCC2(CCC2)C1 ZINC000122775486 188328908 /nfs/dbraw/zinc/32/89/08/188328908.db2.gz UDSKADRAYNZNOP-JTQLQIEISA-N 0 0 207.317 2.435 10 0 BEAERN CCCCc1ccc(C(=O)N(C)[C@@H](C)CO)cc1 ZINC000135586777 538115679 /nfs/dbraw/zinc/11/56/79/538115679.db2.gz RIJQUHNUKDMZJT-LBPRGKRZSA-N 0 0 249.354 2.482 10 0 BEAERN CC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000105914209 188337955 /nfs/dbraw/zinc/33/79/55/188337955.db2.gz BMZWHSAHMXATBM-UHFFFAOYSA-N 0 0 240.324 2.000 10 0 BEAERN CC(=O)Nc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000170822865 188339041 /nfs/dbraw/zinc/33/90/41/188339041.db2.gz ITHOVKFRVCNQJY-UFBFGSQYSA-N 0 0 247.298 2.175 10 0 BEAERN C/C=C/C=C/C(=O)Nc1ccccc1N ZINC000028954811 188357432 /nfs/dbraw/zinc/35/74/32/188357432.db2.gz CWWLPDUYPWGWNA-DSXPNFDZSA-N 0 0 202.257 2.340 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C)CC1 ZINC000252205428 363219232 /nfs/dbraw/zinc/21/92/32/363219232.db2.gz UZTLPGPYHFJGHH-WDEREUQCSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1C[C@@H](c2cccs2)C[N@@H+]1CC(=O)[O-] ZINC000309312530 188344607 /nfs/dbraw/zinc/34/46/07/188344607.db2.gz CHRHGGSUWUDPGF-RKDXNWHRSA-N 0 0 225.313 2.011 10 0 BEAERN Fc1ccc2c(c1Br)OCCO2 ZINC000216746411 538116471 /nfs/dbraw/zinc/11/64/71/538116471.db2.gz XESXMEWTTOZACV-UHFFFAOYSA-N 0 0 233.036 2.359 10 0 BEAERN C/C=C(\CC)C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000188674205 188348933 /nfs/dbraw/zinc/34/89/33/188348933.db2.gz WETQHRWQSWBRES-LFJXOHPOSA-N 0 0 248.330 2.215 10 0 BEAERN COc1ccccc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190251293 188349846 /nfs/dbraw/zinc/34/98/46/188349846.db2.gz KLQDIYOCQFXWJL-WDEREUQCSA-N 0 0 249.310 2.449 10 0 BEAERN Cc1cc(N)nn1CCSC(C)(C)C ZINC000308556467 538116912 /nfs/dbraw/zinc/11/69/12/538116912.db2.gz SMPOXSUGRFZMJW-UHFFFAOYSA-N 0 0 213.350 2.305 10 0 BEAERN Nc1c(Cl)scc1[C@@H]1CCOC1 ZINC000133003907 353402307 /nfs/dbraw/zinc/40/23/07/353402307.db2.gz WNCZACTXOVCXEQ-RXMQYKEDSA-N 0 0 203.694 2.488 10 0 BEAERN CC(=O)SCC[C@@H]1CCCCN1C(C)=O ZINC000238852615 188369433 /nfs/dbraw/zinc/36/94/33/188369433.db2.gz GOPQOVWBOBOLSX-NSHDSACASA-N 0 0 229.345 2.057 10 0 BEAERN Clc1cc2nsnc2c(Cl)n1 ZINC000001558658 353442734 /nfs/dbraw/zinc/44/27/34/353442734.db2.gz WAQHEBWTNUNSHC-UHFFFAOYSA-N 0 0 206.057 2.393 10 0 BEAERN Fc1ccc(CCNc2ccncn2)cc1 ZINC000040862917 180963814 /nfs/dbraw/zinc/96/38/14/180963814.db2.gz BWFDXSSFBGYNQN-UHFFFAOYSA-N 0 0 217.247 2.270 10 0 BEAERN Fc1ccc(CNc2ccncn2)cc1 ZINC000040862984 180969950 /nfs/dbraw/zinc/96/99/50/180969950.db2.gz LSEVMNBULYDUMU-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1ccc(CNc2cn[nH]c2)cc1F ZINC000035764059 180970251 /nfs/dbraw/zinc/97/02/51/180970251.db2.gz GBQIJXLOCHDNAP-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN CCOC(=O)C1=C(O)C[C@@H](C(C)(C)C)C1 ZINC000325928396 188397284 /nfs/dbraw/zinc/39/72/84/188397284.db2.gz FRXDASMHSYVCHD-IUCAKERBSA-N 0 0 212.289 2.191 10 0 BEAERN CC(C)=C[C@H]1C(=O)N=C(CC(C)C)C1=O ZINC000100234809 188394280 /nfs/dbraw/zinc/39/42/80/188394280.db2.gz SCVBNACRSBOLRU-SECBINFHSA-N 0 0 207.273 2.165 10 0 BEAERN CCOC(=O)c1cccnc1N[C@H]1C[C@@H]1CC ZINC000231037284 353554396 /nfs/dbraw/zinc/55/43/96/353554396.db2.gz HKMVWABUUCPENL-ONGXEEELSA-N 0 0 234.299 2.469 10 0 BEAERN Fc1cccc(Cl)c1[C@H]1NCCO1 ZINC000049812314 181000018 /nfs/dbraw/zinc/00/00/18/181000018.db2.gz POUGVOAGPBHKLM-VIFPVBQESA-N 0 0 201.628 2.098 10 0 BEAERN Fc1cccc(F)c1CNc1cn[nH]c1 ZINC000035764060 181000227 /nfs/dbraw/zinc/00/02/27/181000227.db2.gz ORVVFESHOUILDG-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN Fc1cccc(N[C@@H]2C[C@H]3OCCC[C@H]23)n1 ZINC000302604009 181002099 /nfs/dbraw/zinc/00/20/99/181002099.db2.gz ZHEXOJACFYWNNE-OPRDCNLKSA-N 0 0 222.263 2.200 10 0 BEAERN CC(C)(O)[C@H](O)Cc1cccc(Cl)c1 ZINC000232572921 353735617 /nfs/dbraw/zinc/73/56/17/353735617.db2.gz KXTLXTPFONFNMB-SNVBAGLBSA-N 0 0 214.692 2.014 10 0 BEAERN CCOC(=O)c1coc(N[C@@H](C)C(C)C)n1 ZINC000165848953 353753429 /nfs/dbraw/zinc/75/34/29/353753429.db2.gz KXILDQXVSPRAHN-QMMMGPOBSA-N 0 0 226.276 2.308 10 0 BEAERN Fc1ccccc1NCCn1ccnc1 ZINC000053520369 181014377 /nfs/dbraw/zinc/01/43/77/181014377.db2.gz XQZVPPIHTBMJOP-UHFFFAOYSA-N 0 0 205.236 2.134 10 0 BEAERN NN[C@H](C1CC1)C1CCC(F)(F)CC1 ZINC000097747930 353742183 /nfs/dbraw/zinc/74/21/83/353742183.db2.gz QTTNJMJSBWODQX-SECBINFHSA-N 0 0 204.264 2.054 10 0 BEAERN O=C([O-])[C@@H]1CCCCCC[N@@H+]1C/C=C/Cl ZINC000300984025 363261010 /nfs/dbraw/zinc/26/10/10/363261010.db2.gz INGCNWMLPJCKEL-STUBTGCMSA-N 0 0 231.723 2.458 10 0 BEAERN Fc1cnc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000281790912 181017254 /nfs/dbraw/zinc/01/72/54/181017254.db2.gz HYOLCAGFPIKFAN-MWLCHTKSSA-N 0 0 221.279 2.385 10 0 BEAERN CCOC(=O)Nc1ncnc(Cl)c1Cl ZINC000233693246 353835171 /nfs/dbraw/zinc/83/51/71/353835171.db2.gz ZUKJZISDCCTWFG-UHFFFAOYSA-N 0 0 236.058 2.352 10 0 BEAERN CCNc1nc(NCC)c(F)cc1F ZINC000233677049 353837967 /nfs/dbraw/zinc/83/79/67/353837967.db2.gz YQVKHRSJUQXVMH-UHFFFAOYSA-N 0 0 201.220 2.223 10 0 BEAERN C/C(=C/Cl)Cn1cnc(Cl)cc1=O ZINC000308110086 353889702 /nfs/dbraw/zinc/88/97/02/353889702.db2.gz MCZGHPIYHCHIPE-UTCJRWHESA-N 0 0 219.071 2.039 10 0 BEAERN CCCCCOC(=O)c1ccc(N)cc1O ZINC000040954233 168724583 /nfs/dbraw/zinc/72/45/83/168724583.db2.gz LUDWHKYGSYEKCH-UHFFFAOYSA-N 0 0 223.272 2.321 10 0 BEAERN O=C(C1CCCC1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334567323 354089830 /nfs/dbraw/zinc/08/98/30/354089830.db2.gz TWTAFIMXQOCGOZ-CHWSQXEVSA-N 0 0 249.354 2.204 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)nc1C ZINC000334577021 354110460 /nfs/dbraw/zinc/11/04/60/354110460.db2.gz GZPZLPHLFWLJKC-AAEUAGOBSA-N 0 0 230.311 2.323 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)nc1C ZINC000334577027 354110817 /nfs/dbraw/zinc/11/08/17/354110817.db2.gz GZPZLPHLFWLJKC-WCQYABFASA-N 0 0 230.311 2.323 10 0 BEAERN CCSCCN[C@@H](C)c1ncc(C)o1 ZINC000230646649 363315467 /nfs/dbraw/zinc/31/54/67/363315467.db2.gz YMSIURWEHPIMFC-VIFPVBQESA-N 0 0 214.334 2.387 10 0 BEAERN C[C@@H]1CN(C(=O)CC2CC(C)(C)C2)C[C@@H](C)O1 ZINC000334597403 354232250 /nfs/dbraw/zinc/23/22/50/354232250.db2.gz RZKDOWMKBBQXTQ-GHMZBOCLSA-N 0 0 239.359 2.449 10 0 BEAERN Fc1ccc(N2CC3(CCC3)[C@H]3COC[C@@H]32)nc1 ZINC000334645480 354434765 /nfs/dbraw/zinc/43/47/65/354434765.db2.gz QEKBPWYEWPKTJL-RYUDHWBXSA-N 0 0 248.301 2.226 10 0 BEAERN Cc1nc(C)c(F)c(N2CC[C@@H](C)[C@@H]2C)n1 ZINC000334664197 354464950 /nfs/dbraw/zinc/46/49/50/354464950.db2.gz NENCUOFJIZUTQP-APPZFPTMSA-N 0 0 223.295 2.467 10 0 BEAERN O=C(C1=CCCC1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334750252 354475272 /nfs/dbraw/zinc/47/52/72/354475272.db2.gz HWKZYBBXVXRFBF-CHWSQXEVSA-N 0 0 247.338 2.124 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)C1=CCC(C)(C)CC1 ZINC000334729490 354529450 /nfs/dbraw/zinc/52/94/50/354529450.db2.gz IGIGRVARZCJOTB-PWSUYJOCSA-N 0 0 237.343 2.417 10 0 BEAERN CCC(C)(C)CC(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000335101487 354711993 /nfs/dbraw/zinc/71/19/93/354711993.db2.gz YLLNZCREIUTKGD-GHMZBOCLSA-N 0 0 227.348 2.042 10 0 BEAERN C[C@@H]1COCC[C@@H]1Nc1nsnc1Cl ZINC000301048452 363381199 /nfs/dbraw/zinc/38/11/99/363381199.db2.gz ZECRHCHDWZTNSF-RITPCOANSA-N 0 0 233.724 2.028 10 0 BEAERN Cc1cc(C(=O)N(C)Cc2ccc(C)o2)on1 ZINC000040473099 358491223 /nfs/dbraw/zinc/49/12/23/358491223.db2.gz ZLWVROOEOHQRHX-UHFFFAOYSA-N 0 0 234.255 2.157 10 0 BEAERN CCCCNC(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000346065370 354852108 /nfs/dbraw/zinc/85/21/08/354852108.db2.gz YTUSJHUPNXSHFZ-QWRGUYRKSA-N 0 0 242.363 2.289 10 0 BEAERN Cc1csc(NC(=O)N2C[C@@H]3CCC[C@H]32)n1 ZINC000335220044 355059754 /nfs/dbraw/zinc/05/97/54/355059754.db2.gz MYLWXVHJOGEPHS-DTWKUNHWSA-N 0 0 237.328 2.468 10 0 BEAERN CO[C@@H](C)CCNc1nccnc1C(C)C ZINC000413119606 191357500 /nfs/dbraw/zinc/35/75/00/191357500.db2.gz YLCGWLJMXIGACR-JTQLQIEISA-N 0 0 223.320 2.437 10 0 BEAERN CO[C@H]1C[C@@H](Nc2nccnc2C(C)C)C1(C)C ZINC000413183706 191362621 /nfs/dbraw/zinc/36/26/21/191362621.db2.gz INXIJUHWDCNMMW-MNOVXSKESA-N 0 0 249.358 2.247 10 0 BEAERN CC(C)c1nccnc1NCCC[C@H](C)O ZINC000413259379 191366441 /nfs/dbraw/zinc/36/64/41/191366441.db2.gz DDDPGXCEHZDUMJ-JTQLQIEISA-N 0 0 223.320 2.173 10 0 BEAERN C[C@@H]1CN([C@H]2CCOC2)c2ccccc21 ZINC000335777449 355403239 /nfs/dbraw/zinc/40/32/39/355403239.db2.gz DIOQHHCCMFVMQX-MNOVXSKESA-N 0 0 203.285 2.399 10 0 BEAERN COC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000125686104 324647662 /nfs/dbraw/zinc/64/76/62/324647662.db2.gz SFBNGFPDTABVTH-QJPTWQEYSA-N 0 0 227.348 2.352 10 0 BEAERN CON[C@@H]1COc2cc(F)c(Cl)cc21 ZINC000134375617 355594512 /nfs/dbraw/zinc/59/45/12/355594512.db2.gz CDDNHRLOVQXYDE-MRVPVSSYSA-N 0 0 217.627 2.064 10 0 BEAERN CCCNc1nc(NC)c(F)cc1F ZINC000233198727 355645053 /nfs/dbraw/zinc/64/50/53/355645053.db2.gz BPXGYXGZOQSBPO-UHFFFAOYSA-N 0 0 201.220 2.223 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2CCC[C@@H]21 ZINC000350699548 355743850 /nfs/dbraw/zinc/74/38/50/355743850.db2.gz HKZXBZUZXBNHAA-VWYCJHECSA-N 0 0 225.332 2.201 10 0 BEAERN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C)C1 ZINC000336010820 134050639 /nfs/dbraw/zinc/05/06/39/134050639.db2.gz IIZCAHZTQQOVIN-QWHCGFSZSA-N 0 0 238.375 2.118 10 0 BEAERN FC(F)C(F)(F)c1nc(Cl)no1 ZINC000129640802 355766267 /nfs/dbraw/zinc/76/62/67/355766267.db2.gz BZOZJVMRTLCRIB-UHFFFAOYSA-N 0 0 204.510 2.080 10 0 BEAERN NC(=O)/C=C1\CCc2c1cc(F)cc2Cl ZINC000003809717 181212194 /nfs/dbraw/zinc/21/21/94/181212194.db2.gz ZZYSXQPBWFZFEK-ZZXKWVIFSA-N 0 0 225.650 2.294 10 0 BEAERN CC[C@H](O)c1c(F)cc(OC)cc1F ZINC000040240952 355840953 /nfs/dbraw/zinc/84/09/53/355840953.db2.gz HBZQFADDPCICMD-VIFPVBQESA-N 0 0 202.200 2.417 10 0 BEAERN NC(=O)C1(Nc2cccc(F)c2)CCCCC1 ZINC000037944924 181215851 /nfs/dbraw/zinc/21/58/51/181215851.db2.gz ZDBKCUPPDVVVSR-UHFFFAOYSA-N 0 0 236.290 2.426 10 0 BEAERN CCC(CC)c1nc(N)nc(Cl)n1 ZINC000137365542 355828681 /nfs/dbraw/zinc/82/86/81/355828681.db2.gz SQIQGDZABWIIMP-UHFFFAOYSA-N 0 0 200.673 2.011 10 0 BEAERN C[C@@H](NN)c1cscc1Br ZINC000167124153 355959031 /nfs/dbraw/zinc/95/90/31/355959031.db2.gz VOJHODDEYTZWJJ-SCSAIBSYSA-N 0 0 221.123 2.035 10 0 BEAERN CC1(C)CC[C@H](c2nc(-c3ncon3)no2)C1 ZINC000329549032 191944275 /nfs/dbraw/zinc/94/42/75/191944275.db2.gz CIWHITCSUFJHMN-ZETCQYMHSA-N 0 0 234.259 2.413 10 0 BEAERN NC(=O)C[C@@H]1CCc2c1cccc2Cl ZINC000041219138 181242773 /nfs/dbraw/zinc/24/27/73/181242773.db2.gz IEKXNEYIKUHECK-ZETCQYMHSA-N 0 0 209.676 2.245 10 0 BEAERN NC(=O)Cc1ccc(NC2CCCCC2)cc1 ZINC000037074880 181247189 /nfs/dbraw/zinc/24/71/89/181247189.db2.gz HELUCFAJQVCTRF-UHFFFAOYSA-N 0 0 232.327 2.459 10 0 BEAERN NC(=O)Nc1ccc2c(c1)CCCS2 ZINC000077302065 181263072 /nfs/dbraw/zinc/26/30/72/181263072.db2.gz SFSIGWHTEJGUDH-UHFFFAOYSA-N 0 0 208.286 2.216 10 0 BEAERN NC(=O)O[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000002042502 181263716 /nfs/dbraw/zinc/26/37/16/181263716.db2.gz GRNNEYJUCYPIBW-JTQLQIEISA-N 0 0 240.690 2.014 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)c1cccc(F)c1 ZINC000037941784 181266495 /nfs/dbraw/zinc/26/64/95/181266495.db2.gz JDBPOXHGZSHDNZ-ZDUSSCGKSA-N 0 0 244.269 2.464 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)c1cccc(O)c1 ZINC000037941901 181265827 /nfs/dbraw/zinc/26/58/27/181265827.db2.gz UUIJCZOJDZCCQR-ZDUSSCGKSA-N 0 0 242.278 2.031 10 0 BEAERN COc1cc(C)ccc1NC(=O)CSC ZINC000049315246 356415543 /nfs/dbraw/zinc/41/55/43/356415543.db2.gz PJHASTVMNFMZKO-UHFFFAOYSA-N 0 0 225.313 2.305 10 0 BEAERN CCOC(=O)c1ccc([N+](=O)[O-])c(F)c1F ZINC000396114276 356452545 /nfs/dbraw/zinc/45/25/45/356452545.db2.gz FLFWHFCQSRPNLO-UHFFFAOYSA-N 0 0 231.154 2.050 10 0 BEAERN NC(=O)[C@H](NCc1ccccc1)c1ccsc1 ZINC000037941210 181278495 /nfs/dbraw/zinc/27/84/95/181278495.db2.gz SXOSUSFXBCYJCF-GFCCVEGCSA-N 0 0 246.335 2.064 10 0 BEAERN Fc1ccc(OC[C@H]2CO2)cc1Br ZINC000137536156 356471651 /nfs/dbraw/zinc/47/16/51/356471651.db2.gz JWMKKOLXHRXCPZ-ZETCQYMHSA-N 0 0 247.063 2.366 10 0 BEAERN NC(=O)c1c(N)scc1C1CCCC1 ZINC000104922105 181286045 /nfs/dbraw/zinc/28/60/45/181286045.db2.gz YTEKFBZIKZSHQP-UHFFFAOYSA-N 0 0 210.302 2.087 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ncccc2Cl)O1 ZINC000179669928 366282321 /nfs/dbraw/zinc/28/23/21/366282321.db2.gz GFMWJHFANNOQDJ-IONNQARKSA-N 0 0 240.690 2.241 10 0 BEAERN CCOC(=O)c1cc(F)c(OC)cc1F ZINC000238257459 363484846 /nfs/dbraw/zinc/48/48/46/363484846.db2.gz WCQBVCWYPOEQPH-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CCCCN(C)C(=O)c1cnn2c1CCCC2 ZINC000126150003 168766625 /nfs/dbraw/zinc/76/66/25/168766625.db2.gz CWDGMNWLIVMRPB-UHFFFAOYSA-N 0 0 235.331 2.092 10 0 BEAERN O=Cc1cncc(-c2ccc(F)nc2)c1 ZINC000675057616 538480167 /nfs/dbraw/zinc/48/01/67/538480167.db2.gz FPIKOMQRXSIDNT-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN Cc1ccnc(C(=O)Cc2ccco2)c1 ZINC000130615820 363540871 /nfs/dbraw/zinc/54/08/71/363540871.db2.gz NJDLXEONDFEESS-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN Nc1c(F)ccc(-c2cnccn2)c1F ZINC000675058920 538482187 /nfs/dbraw/zinc/48/21/87/538482187.db2.gz BSLHFIQDPJHZFQ-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN Cc1ccnc(-c2ccc(F)c(N)c2F)n1 ZINC000675059098 538483216 /nfs/dbraw/zinc/48/32/16/538483216.db2.gz KFGMDIBTHQJZES-UHFFFAOYSA-N 0 0 221.210 2.312 10 0 BEAERN Fc1nc(F)c(F)c(OCC(F)F)c1F ZINC000130616408 363545592 /nfs/dbraw/zinc/54/55/92/363545592.db2.gz FMNXCOBQORHXDB-UHFFFAOYSA-N 0 0 231.095 2.282 10 0 BEAERN CCOC(=O)c1c(C=O)occ1C(F)F ZINC000675051107 538473616 /nfs/dbraw/zinc/47/36/16/538473616.db2.gz AMZISGROXALYIC-UHFFFAOYSA-N 0 0 218.155 2.206 10 0 BEAERN CC[NH2+]Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000675051192 538474004 /nfs/dbraw/zinc/47/40/04/538474004.db2.gz CZKXCRIYDQCTNR-UHFFFAOYSA-N 0 0 237.177 2.106 10 0 BEAERN C[NH2+]Cc1occ(C2CCCC2)c1C(=O)[O-] ZINC000675051224 538474061 /nfs/dbraw/zinc/47/40/61/538474061.db2.gz FKIKWPHPDLRZTD-UHFFFAOYSA-N 0 0 223.272 2.355 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CC[C@]2(CO)CCC[C@@H]12 ZINC000675051653 538475323 /nfs/dbraw/zinc/47/53/23/538475323.db2.gz WLNMIXLJPIEBNS-SCRDCRAPSA-N 0 0 239.359 2.042 10 0 BEAERN CC1CCC([C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059586 538484576 /nfs/dbraw/zinc/48/45/76/538484576.db2.gz JOBVBNRHYYENKK-QQFIATSDSA-N 0 0 225.332 2.266 10 0 BEAERN C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000675059818 538485239 /nfs/dbraw/zinc/48/52/39/538485239.db2.gz NMAKUUUZVLYBOE-BNDIWNMDSA-N 0 0 239.359 2.369 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000675061344 538487679 /nfs/dbraw/zinc/48/76/79/538487679.db2.gz ZERXVSHVLKLRSC-MJBXVCDLSA-N 0 0 245.322 2.229 10 0 BEAERN CC(C)(C)[C@H]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000083438781 538500413 /nfs/dbraw/zinc/50/04/13/538500413.db2.gz PIVXYKZLLYPJRV-VHSXEESVSA-N 0 0 233.377 2.270 10 0 BEAERN O=Cc1cccc(-c2cnn3cccnc23)c1 ZINC000675072250 538502693 /nfs/dbraw/zinc/50/26/93/538502693.db2.gz AMOCTRYYPIGTDU-UHFFFAOYSA-N 0 0 223.235 2.209 10 0 BEAERN NC(=O)c1ccc(F)c(Cl)c1Cl ZINC000168642618 356692442 /nfs/dbraw/zinc/69/24/42/356692442.db2.gz YHZQBBNRIIYCOF-UHFFFAOYSA-N 0 0 208.019 2.231 10 0 BEAERN CC[C@H](C)C(=O)[C@H]1Cc2nc(C)ccc2O1 ZINC000675080306 538519258 /nfs/dbraw/zinc/51/92/58/538519258.db2.gz BVAXSPCTWRLYFU-QPUJVOFHSA-N 0 0 219.284 2.309 10 0 BEAERN CC[C@@H](C)C(=O)[C@@H]1Cc2nc(C)ccc2O1 ZINC000675080304 538519567 /nfs/dbraw/zinc/51/95/67/538519567.db2.gz BVAXSPCTWRLYFU-PELKAZGASA-N 0 0 219.284 2.309 10 0 BEAERN COC(=O)c1cc2cncc(Cl)c2n1C ZINC000675080460 538520084 /nfs/dbraw/zinc/52/00/84/538520084.db2.gz QPUOIORTWQCKHP-UHFFFAOYSA-N 0 0 224.647 2.013 10 0 BEAERN O=Cc1ccc(-c2nnc(C3CC3)o2)o1 ZINC000675082531 538523263 /nfs/dbraw/zinc/52/32/63/538523263.db2.gz IVWWNHSOCFMNNB-UHFFFAOYSA-N 0 0 204.185 2.020 10 0 BEAERN Cc1ccc2c(n1)C[C@H](C(=O)C(C)(C)C)O2 ZINC000675081310 538521639 /nfs/dbraw/zinc/52/16/39/538521639.db2.gz QDGDMHKHDBGKIM-LLVKDONJSA-N 0 0 219.284 2.309 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCCC(C)(C)CC2 ZINC000084324162 538530667 /nfs/dbraw/zinc/53/06/67/538530667.db2.gz HRVADCAOCIVARP-JOYOIKCWSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178543105 535341148 /nfs/dbraw/zinc/34/11/48/535341148.db2.gz NKLLLSVAJKVUEC-WCQYABFASA-N 0 0 249.285 2.024 10 0 BEAERN CCc1nn(CC(F)(F)F)c(CC)c1N ZINC000126190433 538533156 /nfs/dbraw/zinc/53/31/56/538533156.db2.gz DYURUZXHSRXPLH-UHFFFAOYSA-N 0 0 221.226 2.152 10 0 BEAERN C[C@@](C[NH3+])(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085114013 538536471 /nfs/dbraw/zinc/53/64/71/538536471.db2.gz PJRWPVIBQFGSFZ-NSHDSACASA-N 0 0 227.691 2.031 10 0 BEAERN COC(=O)[C@@]1(C)OC12CCCCCCC2 ZINC000085657743 538545122 /nfs/dbraw/zinc/54/51/22/538545122.db2.gz GHDYRXDFFKVGAB-LLVKDONJSA-N 0 0 212.289 2.431 10 0 BEAERN CN(C)c1ccc(C=O)c(Br)c1 ZINC000001555647 356702134 /nfs/dbraw/zinc/70/21/34/356702134.db2.gz CMPOSLJLQIYWIJ-UHFFFAOYSA-N 0 0 228.089 2.328 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@@]12CCC[C@@H]2C ZINC000220856257 538548059 /nfs/dbraw/zinc/54/80/59/538548059.db2.gz MOZKRANAIOFGIR-WCQGTBRESA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)c1noc([C@H]2CCCCS2)n1 ZINC000087682174 538569453 /nfs/dbraw/zinc/56/94/53/538569453.db2.gz BBSCIFWFYLCHFS-SSDOTTSWSA-N 0 0 242.300 2.205 10 0 BEAERN Cc1cc2c(cc1F)nc(Cl)[nH]c2=O ZINC000129356354 538574375 /nfs/dbraw/zinc/57/43/75/538574375.db2.gz QGPKUIPJYIIAKM-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN COC(=O)c1cc(C)cc2c1NCCC2 ZINC000095929773 538609175 /nfs/dbraw/zinc/60/91/75/538609175.db2.gz YXWYKAYGBSMNOS-UHFFFAOYSA-N 0 0 205.257 2.140 10 0 BEAERN Cc1nc(Cn2cc(Cl)c(N)n2)sc1C ZINC000087376616 538567201 /nfs/dbraw/zinc/56/72/01/538567201.db2.gz DDDQEAIRQSISIQ-UHFFFAOYSA-N 0 0 242.735 2.240 10 0 BEAERN Cc1ccc2[nH]c(N3CCC[C@H](CO)C3)nc2c1 ZINC000096638721 538614345 /nfs/dbraw/zinc/61/43/45/538614345.db2.gz ZYZVSZMFPNNDCL-NSHDSACASA-N 0 0 245.326 2.080 10 0 BEAERN CC[C@@H]1CCC[C@]2(C1)O[C@@]2(C)C(=O)OC ZINC000227199574 538617251 /nfs/dbraw/zinc/61/72/51/538617251.db2.gz RJIFMJGEEOQXCM-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)=CC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000080512966 535344464 /nfs/dbraw/zinc/34/44/64/535344464.db2.gz UCWRNQZVHLPVAW-STQMWFEESA-N 0 0 247.342 2.449 10 0 BEAERN COC(=O)C1(O)CC(C)(C)CC(C)(C)C1 ZINC000168308698 356880272 /nfs/dbraw/zinc/88/02/72/356880272.db2.gz AHZQGIPYHPZHBG-UHFFFAOYSA-N 0 0 214.305 2.127 10 0 BEAERN CCCC[C@@H](CC)CSC[C@H](O)CO ZINC000086660552 535348909 /nfs/dbraw/zinc/34/89/09/535348909.db2.gz WZQWSWMEERVFPL-GHMZBOCLSA-N 0 0 220.378 2.289 10 0 BEAERN C[C@@H](NCc1cscn1)c1ccncc1 ZINC000040420964 356938911 /nfs/dbraw/zinc/93/89/11/356938911.db2.gz FQTASYTUZJXIMF-SECBINFHSA-N 0 0 219.313 2.389 10 0 BEAERN Cc1ccc([C@H]([NH3+])C(C)(C)C(=O)[O-])cc1 ZINC000214825642 356965628 /nfs/dbraw/zinc/96/56/28/356965628.db2.gz OSAABJDFDOQVJA-JTQLQIEISA-N 0 0 207.273 2.106 10 0 BEAERN Cc1ccc([C@@H]2CC(=O)N2)c(Br)c1 ZINC000129804821 356967291 /nfs/dbraw/zinc/96/72/91/356967291.db2.gz LPAONNIKSCKEJK-VIFPVBQESA-N 0 0 240.100 2.319 10 0 BEAERN C[C@H](O)Cc1cc(Cl)cc2c1OCC2 ZINC000160464976 356985701 /nfs/dbraw/zinc/98/57/01/356985701.db2.gz QMFWYFYBEYWATE-ZETCQYMHSA-N 0 0 212.676 2.198 10 0 BEAERN CC(C)Nc1cc(Br)ncn1 ZINC000160517515 357031217 /nfs/dbraw/zinc/03/12/17/357031217.db2.gz LCAUJNYIJMITLY-UHFFFAOYSA-N 0 0 216.082 2.059 10 0 BEAERN Brc1cc(NCC2CC2)ncn1 ZINC000160528695 357035758 /nfs/dbraw/zinc/03/57/58/357035758.db2.gz UQRFXAVIQYIFQX-UHFFFAOYSA-N 0 0 228.093 2.061 10 0 BEAERN COc1ccc2c(c1F)CSCC2=O ZINC000160544013 357049565 /nfs/dbraw/zinc/04/95/65/357049565.db2.gz PAZGCIZONBCNEK-UHFFFAOYSA-N 0 0 212.245 2.264 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000119110330 357009869 /nfs/dbraw/zinc/00/98/69/357009869.db2.gz RVGVESIZYNESII-GRYCIOLGSA-N 0 0 237.343 2.203 10 0 BEAERN Cc1ccc(C(=O)[C@H](O)C(C)C)cc1F ZINC000223788513 357068034 /nfs/dbraw/zinc/06/80/34/357068034.db2.gz XHZQKTCLTZJXGX-LLVKDONJSA-N 0 0 210.248 2.334 10 0 BEAERN Brc1cc(NCC2CCC2)ncn1 ZINC000160561812 357069865 /nfs/dbraw/zinc/06/98/65/357069865.db2.gz FCMSKYISWXPMOI-UHFFFAOYSA-N 0 0 242.120 2.451 10 0 BEAERN CCCCSCCC(=O)N[C@@H]1C[C@@H]1C ZINC000120971092 357070180 /nfs/dbraw/zinc/07/01/80/357070180.db2.gz ZGVMQROAQHLXMU-VHSXEESVSA-N 0 0 215.362 2.434 10 0 BEAERN NC1(C(=O)c2cscc2Br)CC1 ZINC000226435326 357147327 /nfs/dbraw/zinc/14/73/27/357147327.db2.gz VRJCTRIHBOYGQO-UHFFFAOYSA-N 0 0 246.129 2.185 10 0 BEAERN COc1c(C=O)cc(Br)cc1C=O ZINC000082307698 491107769 /nfs/dbraw/zinc/10/77/69/491107769.db2.gz PLGQWZJIJNUBEW-UHFFFAOYSA-N 0 0 243.056 2.083 10 0 BEAERN C[C@@H](SC1CCOCC1)C(=O)NC(C)(C)C ZINC000131080636 325113382 /nfs/dbraw/zinc/11/33/82/325113382.db2.gz GFZVWPPWCLPPFW-SECBINFHSA-N 0 0 245.388 2.202 10 0 BEAERN CC(C)(C)c1nc(N)cc(Br)n1 ZINC000160606160 357123532 /nfs/dbraw/zinc/12/35/32/357123532.db2.gz OXTZZQUQNCYWGW-UHFFFAOYSA-N 0 0 230.109 2.119 10 0 BEAERN Cc1ccc(C(=O)c2cnn(C)c2)s1 ZINC000035369278 357197441 /nfs/dbraw/zinc/19/74/41/357197441.db2.gz BRFQLVNDNQGKAF-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN C[C@@H]1CC[C@@H](CC(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000131281042 325134479 /nfs/dbraw/zinc/13/44/79/325134479.db2.gz JUVQRYHGWYGBLZ-FVCCEPFGSA-N 0 0 239.359 2.449 10 0 BEAERN CC[C@H]1CC[C@H](C(=O)NCC2CC(O)C2)CC1 ZINC000392845583 357245597 /nfs/dbraw/zinc/24/55/97/357245597.db2.gz XCOXTHZHRAKYKZ-RUXNMCCTSA-N 0 0 239.359 2.090 10 0 BEAERN CSCCCC(=O)N(C)c1ncccc1F ZINC000131756830 325182200 /nfs/dbraw/zinc/18/22/00/325182200.db2.gz XVMYVBBEDXKZTC-UHFFFAOYSA-N 0 0 242.319 2.327 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccc(CO)cc2)o1 ZINC000230647213 357544470 /nfs/dbraw/zinc/54/44/70/357544470.db2.gz ZGASUHFFLDZYNB-LLVKDONJSA-N 0 0 246.310 2.326 10 0 BEAERN CCC(C)(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000158820764 538868268 /nfs/dbraw/zinc/86/82/68/538868268.db2.gz BIPWDFGHWKJPBF-GHMZBOCLSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)(C)n1cnc(Br)c1 ZINC000201694237 538881685 /nfs/dbraw/zinc/88/16/85/538881685.db2.gz KRRUJKDKOLRUES-UHFFFAOYSA-N 0 0 203.083 2.401 10 0 BEAERN CO[C@H](C)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000189054653 357601651 /nfs/dbraw/zinc/60/16/51/357601651.db2.gz MKMMCCYJJWTJQC-RAIGVLPGSA-N 0 0 239.359 2.354 10 0 BEAERN c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000189147549 357606940 /nfs/dbraw/zinc/60/69/40/357606940.db2.gz NCKSIESBZUQBSN-VXGBXAGGSA-N 0 0 246.358 2.425 10 0 BEAERN CCn1nccc1CN[C@H](C)c1ncc(C)o1 ZINC000231530851 357609206 /nfs/dbraw/zinc/60/92/06/357609206.db2.gz HYXXQLSSQOOQNW-SNVBAGLBSA-N 0 0 234.303 2.050 10 0 BEAERN CCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189951408 357678008 /nfs/dbraw/zinc/67/80/08/357678008.db2.gz QKLHDTAKSYUXJB-NSHDSACASA-N 0 0 219.284 2.345 10 0 BEAERN CC1(C(=O)[O-])CCC([NH+]2CCCC2)CC1 ZINC000685946497 538888142 /nfs/dbraw/zinc/88/81/42/538888142.db2.gz BTKFPGIZHKGRMX-UHFFFAOYSA-N 0 0 211.305 2.116 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189701741 357655017 /nfs/dbraw/zinc/65/50/17/357655017.db2.gz UDVGSHMDEVXADT-QJPTWQEYSA-N 0 0 227.348 2.352 10 0 BEAERN Nc1ccc(C(F)(F)F)c(N2CCC2)c1 ZINC000685948537 538891218 /nfs/dbraw/zinc/89/12/18/538891218.db2.gz PUXHRBAUOSWDFD-UHFFFAOYSA-N 0 0 216.206 2.498 10 0 BEAERN CCCC(=O)NC(C)(C)c1ccc(N)cc1 ZINC000685949155 538892650 /nfs/dbraw/zinc/89/26/50/538892650.db2.gz KQSJBTFEVDSBCJ-UHFFFAOYSA-N 0 0 220.316 2.420 10 0 BEAERN C[C@@H](C1CC1)C1N=NC(=S)N1CC(F)F ZINC000685949608 538892938 /nfs/dbraw/zinc/89/29/38/538892938.db2.gz CYOBNXXQGGLGLB-YFKPBYRVSA-N 0 0 233.287 2.345 10 0 BEAERN FC(F)c1n[nH]c(=S)n1CC(F)(F)F ZINC000685949609 538892960 /nfs/dbraw/zinc/89/29/60/538892960.db2.gz DCFKCBMBUKONSD-UHFFFAOYSA-N 0 0 233.165 2.067 10 0 BEAERN CCCCN1C(=S)N=NC1C1CC(OC)C1 ZINC000685950171 538893270 /nfs/dbraw/zinc/89/32/70/538893270.db2.gz QSPPHVGVWAOPQG-UHFFFAOYSA-N 0 0 241.360 2.259 10 0 BEAERN FC(F)(F)CN1C(=S)N=NC1C1CCC1 ZINC000685950215 538893670 /nfs/dbraw/zinc/89/36/70/538893670.db2.gz SBWSASAJJFZEMJ-UHFFFAOYSA-N 0 0 237.250 2.397 10 0 BEAERN COCCN1C(=S)N=NC1C(C)(C)C(C)C ZINC000685950340 538893849 /nfs/dbraw/zinc/89/38/49/538893849.db2.gz XNDNEMIMSFBKCG-UHFFFAOYSA-N 0 0 243.376 2.147 10 0 BEAERN CCC1(C)CC[NH+](C[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000685950815 538894268 /nfs/dbraw/zinc/89/42/68/538894268.db2.gz ZODMFFZMAZNXFY-GHMZBOCLSA-N 0 0 225.332 2.219 10 0 BEAERN C[C@@H](COCc1ccccc1)Cn1ccc(N)n1 ZINC000685951073 538894694 /nfs/dbraw/zinc/89/46/94/538894694.db2.gz HVNWTKWTDFSMKF-GFCCVEGCSA-N 0 0 245.326 2.318 10 0 BEAERN COC(=O)[C@H]1COc2cc(C)cc(Cl)c21 ZINC000685951805 538895063 /nfs/dbraw/zinc/89/50/63/538895063.db2.gz FVEGVTMCAKKPGR-ZETCQYMHSA-N 0 0 226.659 2.297 10 0 BEAERN CCCC1(CNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000189350002 357634225 /nfs/dbraw/zinc/63/42/25/357634225.db2.gz YDNLELWNWKTMML-NEPJUHHUSA-N 0 0 239.359 2.498 10 0 BEAERN C[C@H](CCO)NC(=O)Nc1ccsc1Cl ZINC000189394124 357635757 /nfs/dbraw/zinc/63/57/57/357635757.db2.gz YHADFUHSQQBQEZ-ZCFIWIBFSA-N 0 0 248.735 2.294 10 0 BEAERN CCCCCNC(=O)[C@H]1CCCO[C@H]1C ZINC000190207306 357692641 /nfs/dbraw/zinc/69/26/41/357692641.db2.gz BIWWKXBWKPFBPU-QWRGUYRKSA-N 0 0 213.321 2.108 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(CC(F)F)C1CC1 ZINC000191431439 357770424 /nfs/dbraw/zinc/77/04/24/357770424.db2.gz OIWCVZVNLDPOQV-WCBMZHEXSA-N 0 0 247.285 2.058 10 0 BEAERN CCc1noc(C)c1NC(=O)c1ccco1 ZINC000132897849 325252040 /nfs/dbraw/zinc/25/20/40/325252040.db2.gz KUPHYOMCVGUMGZ-UHFFFAOYSA-N 0 0 220.228 2.391 10 0 BEAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)C ZINC000191531974 357783000 /nfs/dbraw/zinc/78/30/00/357783000.db2.gz MHXPALQTXIYJTR-NSHDSACASA-N 0 0 234.299 2.090 10 0 BEAERN O[C@H]1CCCC[C@@H]1n1nccc1-c1ccncc1 ZINC000193095173 357867216 /nfs/dbraw/zinc/86/72/16/357867216.db2.gz XXQGJRYGSCBXOI-KBPBESRZSA-N 0 0 243.310 2.421 10 0 BEAERN O[C@@H]1CCCC[C@H]1n1nccc1-c1ccncc1 ZINC000193095191 357867392 /nfs/dbraw/zinc/86/73/92/357867392.db2.gz XXQGJRYGSCBXOI-ZIAGYGMSSA-N 0 0 243.310 2.421 10 0 BEAERN Cc1nc(C[C@H]2CCOC2)nc(Cl)c1C ZINC000168928958 358000498 /nfs/dbraw/zinc/00/04/98/358000498.db2.gz JIIUELNYBPKFRA-SECBINFHSA-N 0 0 226.707 2.326 10 0 BEAERN COC[C@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000103372375 358047506 /nfs/dbraw/zinc/04/75/06/358047506.db2.gz WSOXLOMGVPVRTJ-JTQLQIEISA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632882 134252828 /nfs/dbraw/zinc/25/28/28/134252828.db2.gz LFXXDYYWKDUOIA-LDYMZIIASA-N 0 0 243.266 2.331 10 0 BEAERN Cc1nc([C@H](C)NC(=O)C2CC2)cs1 ZINC000170497014 134254687 /nfs/dbraw/zinc/25/46/87/134254687.db2.gz ACKDDUWVLPSFMV-LURJTMIESA-N 0 0 210.302 2.039 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632883 134253126 /nfs/dbraw/zinc/25/31/26/134253126.db2.gz LFXXDYYWKDUOIA-GZMMTYOYSA-N 0 0 243.266 2.331 10 0 BEAERN O[C@H](Cc1ccccc1)c1nccs1 ZINC000038221104 358140831 /nfs/dbraw/zinc/14/08/31/358140831.db2.gz HWMNNNUMCSZLOL-SNVBAGLBSA-N 0 0 205.282 2.419 10 0 BEAERN Cc1cc2[nH]c(=O)c3cccn3c2cc1C ZINC000039186327 358219724 /nfs/dbraw/zinc/21/97/24/358219724.db2.gz MBYDOWPYODZJCG-UHFFFAOYSA-N 0 0 212.252 2.398 10 0 BEAERN CCOC(=O)C[C@@H]1C(=O)CCCC1(C)C ZINC000038762700 358196191 /nfs/dbraw/zinc/19/61/91/358196191.db2.gz QKRKDBMSRYPICS-SECBINFHSA-N 0 0 212.289 2.335 10 0 BEAERN CC[C@@H](O)[C@H](C)/C=C/I ZINC000039042363 358217245 /nfs/dbraw/zinc/21/72/45/358217245.db2.gz WOLQKGIJLDTKMX-XIMOZBJHSA-N 0 0 240.084 2.342 10 0 BEAERN O=C(c1cccnc1)c1ccc2c(c1)OCO2 ZINC000039473649 358229449 /nfs/dbraw/zinc/22/94/49/358229449.db2.gz VLZRHMMWQIEKDF-UHFFFAOYSA-N 0 0 227.219 2.041 10 0 BEAERN COc1ccccc1CCN(C)C(=O)[C@@H]1C[C@H]1C ZINC000104456177 358231827 /nfs/dbraw/zinc/23/18/27/358231827.db2.gz DMHSAIHCBCZDRD-DGCLKSJQSA-N 0 0 247.338 2.352 10 0 BEAERN C[C@@H](NC(=O)N1CCCO[C@@H](C)C1)C(C)(C)C ZINC000171951215 134262920 /nfs/dbraw/zinc/26/29/20/134262920.db2.gz UNSNKAHEVSOCKW-WDEREUQCSA-N 0 0 242.363 2.241 10 0 BEAERN COC1=CC(=O)O/C1=C\c1ccc(F)c(F)c1 ZINC000584611983 358275922 /nfs/dbraw/zinc/27/59/22/358275922.db2.gz VICKDNCNQJEXBM-WZUFQYTHSA-N 0 0 238.189 2.393 10 0 BEAERN COc1ccc2c(c1OC)CC[C@H](C)C2=O ZINC000584612811 358276205 /nfs/dbraw/zinc/27/62/05/358276205.db2.gz LAAZEDGBJJNQDX-QMMMGPOBSA-N 0 0 220.268 2.469 10 0 BEAERN COc1cccc(N2C(=O)CC[C@H]2C)c1 ZINC000584613289 358276749 /nfs/dbraw/zinc/27/67/49/358276749.db2.gz BLFWFJSMRQYRQU-SECBINFHSA-N 0 0 205.257 2.211 10 0 BEAERN CC1(CCOc2ccc(CO)cc2)N=N1 ZINC000584613279 358276765 /nfs/dbraw/zinc/27/67/65/358276765.db2.gz ZHGGNXVBHDKZGC-UHFFFAOYSA-N 0 0 206.245 2.130 10 0 BEAERN NC(=O)CN1CC[C@@H](C2CCC2)c2ccccc21 ZINC000584612951 358277004 /nfs/dbraw/zinc/27/70/04/358277004.db2.gz YCPMJYYMHLGLCL-LBPRGKRZSA-N 0 0 244.338 2.266 10 0 BEAERN FC(F)(F)c1ccc(-n2cncn2)cc1 ZINC000584613350 358277301 /nfs/dbraw/zinc/27/73/01/358277301.db2.gz LLQIAOLMRBUTSS-UHFFFAOYSA-N 0 0 213.162 2.286 10 0 BEAERN O=C(C(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000584613569 358278137 /nfs/dbraw/zinc/27/81/37/358278137.db2.gz VGNXSYUEVFJWIO-UHFFFAOYSA-N 0 0 237.686 2.145 10 0 BEAERN CCOC(=O)/C=C1\OC(=O)c2c1cccc2C ZINC000584591425 358249570 /nfs/dbraw/zinc/24/95/70/358249570.db2.gz YIXQQCNHAKRSNF-YFHOEESVSA-N 0 0 232.235 2.069 10 0 BEAERN Cc1c(N)c(C=O)cc(F)c1Br ZINC000584591738 358249950 /nfs/dbraw/zinc/24/99/50/358249950.db2.gz YKPLCNCSLCHQLB-UHFFFAOYSA-N 0 0 232.052 2.291 10 0 BEAERN C[C@H]1CCCN(NC(=O)c2ccccc2)C1 ZINC000584591925 358250363 /nfs/dbraw/zinc/25/03/63/358250363.db2.gz BUNVMLZQLOXHJQ-NSHDSACASA-N 0 0 218.300 2.063 10 0 BEAERN CCOC(=O)C[C@H](C)C(=O)c1cccc(N)c1 ZINC000584594795 358252030 /nfs/dbraw/zinc/25/20/30/358252030.db2.gz XTTJODTXZOUTHY-VIFPVBQESA-N 0 0 235.283 2.041 10 0 BEAERN COc1c(F)cc(F)cc1CCCCO ZINC000584594579 358252084 /nfs/dbraw/zinc/25/20/84/358252084.db2.gz IMCDIICJQRDSGR-UHFFFAOYSA-N 0 0 216.227 2.288 10 0 BEAERN N[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000584595558 358253316 /nfs/dbraw/zinc/25/33/16/358253316.db2.gz JSRYIFOJSDNBTM-AHLTXXRQSA-N 0 0 245.322 2.418 10 0 BEAERN I[C@@]12CCC[C@@H]1OCC2 ZINC000584630983 358255019 /nfs/dbraw/zinc/25/50/19/358255019.db2.gz WKQJYEURJZKHQQ-NKWVEPMBSA-N 0 0 238.068 2.133 10 0 BEAERN CC[S@@](=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000584597428 358255296 /nfs/dbraw/zinc/25/52/96/358255296.db2.gz OVOPASJFOIAGCB-OAHLLOKOSA-N 0 0 246.715 2.254 10 0 BEAERN COc1cccc(C2C(=O)CCCC2=O)c1 ZINC000584615199 358279971 /nfs/dbraw/zinc/27/99/71/358279971.db2.gz UJCWDKLJWZUGCU-UHFFFAOYSA-N 0 0 218.252 2.101 10 0 BEAERN CCn1nc2c(cc1=O)CCc1ccccc1-2 ZINC000584597862 358255740 /nfs/dbraw/zinc/25/57/40/358255740.db2.gz UUNBZUYXTFRYRH-UHFFFAOYSA-N 0 0 226.279 2.029 10 0 BEAERN C[n+]1[n-]c2ccccc2c(=O)c1-c1ccccc1 ZINC000584601117 358257484 /nfs/dbraw/zinc/25/74/84/358257484.db2.gz NRSOURMIHRIZBV-UHFFFAOYSA-O 0 0 237.282 2.020 10 0 BEAERN OC[C@@H]1C[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C1 ZINC000584601341 358258000 /nfs/dbraw/zinc/25/80/00/358258000.db2.gz DWZURVYPTKXJTF-RUZUBIRVSA-N 0 0 234.295 2.119 10 0 BEAERN OC[C@@H]1C[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2C1 ZINC000584601342 358258062 /nfs/dbraw/zinc/25/80/62/358258062.db2.gz DWZURVYPTKXJTF-ZRJCITRHSA-N 0 0 234.295 2.119 10 0 BEAERN COC(=O)C1(c2ccc(Cl)cc2C=O)CC1 ZINC000584602252 358260151 /nfs/dbraw/zinc/26/01/51/358260151.db2.gz PMWRZFGRVTXFAH-UHFFFAOYSA-N 0 0 238.670 2.357 10 0 BEAERN COP(=O)(CCC(=O)CC(C)C)OC ZINC000584602745 358260595 /nfs/dbraw/zinc/26/05/95/358260595.db2.gz UWVZPAREDBXUGY-UHFFFAOYSA-N 0 0 222.221 2.478 10 0 BEAERN CCOC(=O)/C=C(/F)Oc1ccccc1 ZINC000584603626 358262281 /nfs/dbraw/zinc/26/22/81/358262281.db2.gz JPSYFFYHSYCYTP-NTMALXAHSA-N 0 0 210.204 2.439 10 0 BEAERN CCc1cc(C)c(NC=O)c(CC)c1NC=O ZINC000584604082 358262979 /nfs/dbraw/zinc/26/29/79/358262979.db2.gz LQMQCOSCPZPROB-UHFFFAOYSA-N 0 0 234.299 2.256 10 0 BEAERN C[C@@H](Cc1cccc(Br)c1)NC=O ZINC000584604052 358263103 /nfs/dbraw/zinc/26/31/03/358263103.db2.gz HSUBRNBODLTYHG-QMMMGPOBSA-N 0 0 242.116 2.126 10 0 BEAERN COc1ccc2c(c1)[C@H](CCNC=O)CCC2 ZINC000584604311 358263303 /nfs/dbraw/zinc/26/33/03/358263303.db2.gz YCFXJRGQUHKBBW-LBPRGKRZSA-N 0 0 233.311 2.251 10 0 BEAERN Cc1cn2cc(Br)nc(C)c2n1 ZINC000584605617 358264784 /nfs/dbraw/zinc/26/47/84/358264784.db2.gz ZUULQOKAEUOVEU-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN Cc1nc2ccccn2c1C(=O)OC(C)C ZINC000584606116 358265069 /nfs/dbraw/zinc/26/50/69/358265069.db2.gz CPVRTJWWEAEOAR-UHFFFAOYSA-N 0 0 218.256 2.208 10 0 BEAERN COc1cc2c(c(OC)c1)C=N[C@@H](C)C2 ZINC000584606175 358265193 /nfs/dbraw/zinc/26/51/93/358265193.db2.gz JPBXIDSIUBAUNJ-QMMMGPOBSA-N 0 0 205.257 2.067 10 0 BEAERN CCC(=O)OCSC(=S)OC(C)C ZINC000584606171 358265225 /nfs/dbraw/zinc/26/52/25/358265225.db2.gz JMMSQVXEYYZTCB-UHFFFAOYSA-N 0 0 222.331 2.340 10 0 BEAERN COC(=O)C1=C(OC(F)F)c2ccccc2C1 ZINC000584606611 358265707 /nfs/dbraw/zinc/26/57/07/358265707.db2.gz HMERGQMAWWYTMM-UHFFFAOYSA-N 0 0 240.205 2.366 10 0 BEAERN COC(=O)C[C@@H](C)CC(=O)CC(C)C ZINC000584606477 358266032 /nfs/dbraw/zinc/26/60/32/358266032.db2.gz ZVRBXPASEXJKPF-VIFPVBQESA-N 0 0 200.278 2.191 10 0 BEAERN c1cnn(-c2ccccc2-n2ccnc2)c1 ZINC000584615767 358280467 /nfs/dbraw/zinc/28/04/67/358280467.db2.gz SEHJLAORAHNLSY-UHFFFAOYSA-N 0 0 210.240 2.058 10 0 BEAERN CCCCCc1[nH]nc(C(=O)OC)c1C ZINC000584606945 358266620 /nfs/dbraw/zinc/26/66/20/358266620.db2.gz FVROYBNMPBCHJZ-UHFFFAOYSA-N 0 0 210.277 2.237 10 0 BEAERN C=C(c1ccc(OC)cc1)N(C)C(C)=O ZINC000584607493 358268154 /nfs/dbraw/zinc/26/81/54/358268154.db2.gz XXYJKLCVABELPR-UHFFFAOYSA-N 0 0 205.257 2.144 10 0 BEAERN CC(=O)Oc1cccc2c1[C@]1(O)CCCC[C@H]21 ZINC000584615892 358280589 /nfs/dbraw/zinc/28/05/89/358280589.db2.gz ALUUHCZEAFUTGK-RISCZKNCSA-N 0 0 232.279 2.471 10 0 BEAERN OC[C@H]1[C@H](F)[C@@H]1c1ccc(Cl)cc1 ZINC000584608295 358268637 /nfs/dbraw/zinc/26/86/37/358268637.db2.gz BNYDPQBYOOICTJ-BBBLOLIVSA-N 0 0 200.640 2.384 10 0 BEAERN C[C@@H]1C[C@H](OCc2ccccc2)OC1=O ZINC000584608981 358269921 /nfs/dbraw/zinc/26/99/21/358269921.db2.gz OPMWHSPOOCHNMH-MWLCHTKSSA-N 0 0 206.241 2.112 10 0 BEAERN C/C=C/c1cc(O)ccc1C(=O)N(C)C ZINC000584609645 358271071 /nfs/dbraw/zinc/27/10/71/358271071.db2.gz MMXIYLRUEGTIRY-SNAWJCMRSA-N 0 0 205.257 2.127 10 0 BEAERN CC(C)c1ccc(/C=C(\CO)[N+](=O)[O-])cc1 ZINC000584609840 358271715 /nfs/dbraw/zinc/27/17/15/358271715.db2.gz CQKPCHHUDQQHHS-KPKJPENVSA-N 0 0 221.256 2.420 10 0 BEAERN C[C@H]1OC(=O)c2c1oc(=O)c1ccccc21 ZINC000584610627 358273778 /nfs/dbraw/zinc/27/37/78/358273778.db2.gz VJPJXUFAIUIRCX-ZCFIWIBFSA-N 0 0 216.192 2.024 10 0 BEAERN O=C1OC[C@H]1c1ccccc1Br ZINC000584610590 358273814 /nfs/dbraw/zinc/27/38/14/358273814.db2.gz WRTIIPXBIMNUKQ-ZETCQYMHSA-N 0 0 227.057 2.090 10 0 BEAERN C[C@H](O)N(Cc1ccccc1)C(F)(F)F ZINC000584610874 358274657 /nfs/dbraw/zinc/27/46/57/358274657.db2.gz UYMUWAYEMRZFTQ-QMMMGPOBSA-N 0 0 219.206 2.347 10 0 BEAERN Cc1cc2c(cc(CCO)n2C)c(Cl)n1 ZINC000584620256 358287076 /nfs/dbraw/zinc/28/70/76/358287076.db2.gz WMSQAOBLSVPFBN-UHFFFAOYSA-N 0 0 224.691 2.070 10 0 BEAERN Fc1cc(C2=NCCO2)c(F)c(F)c1F ZINC000584621469 358288521 /nfs/dbraw/zinc/28/85/21/358288521.db2.gz QVYCCGDCMVMJJL-UHFFFAOYSA-N 0 0 219.137 2.020 10 0 BEAERN COc1ccc2ccc(=O)n(Cl)c2c1 ZINC000584621633 358289429 /nfs/dbraw/zinc/28/94/29/358289429.db2.gz ACVYTYLSARMRHR-UHFFFAOYSA-N 0 0 209.632 2.012 10 0 BEAERN CCCc1ccc(S(=O)(=O)[C@@H]2CCO2)cc1 ZINC000584621914 358290150 /nfs/dbraw/zinc/29/01/50/358290150.db2.gz WOWQQKYITRSRPQ-GFCCVEGCSA-N 0 0 240.324 2.159 10 0 BEAERN CCCc1ccc(S(=O)(=O)[C@H]2CCO2)cc1 ZINC000584621915 358290204 /nfs/dbraw/zinc/29/02/04/358290204.db2.gz WOWQQKYITRSRPQ-LBPRGKRZSA-N 0 0 240.324 2.159 10 0 BEAERN CSc1nc2c(c(SC)n1)CCCO2 ZINC000584623033 358290616 /nfs/dbraw/zinc/29/06/16/358290616.db2.gz AIJUALTUYPKDJO-UHFFFAOYSA-N 0 0 228.342 2.245 10 0 BEAERN COc1cccc(CCC2OCCO2)c1 ZINC000584622771 358290758 /nfs/dbraw/zinc/29/07/58/358290758.db2.gz CXYGWFVVTHFATL-UHFFFAOYSA-N 0 0 208.257 2.001 10 0 BEAERN CCN(CC)c1nc2ccccc2n1C#N ZINC000584623450 358291434 /nfs/dbraw/zinc/29/14/34/358291434.db2.gz TVKCSZRLYFLTEH-UHFFFAOYSA-N 0 0 214.272 2.212 10 0 BEAERN Cc1nccc2c1cccc2N1C(=O)CCC1=O ZINC000584623866 358291770 /nfs/dbraw/zinc/29/17/70/358291770.db2.gz YSVZHYWVXRJICA-UHFFFAOYSA-N 0 0 240.262 2.197 10 0 BEAERN CON1C=CCc2cccc(C)c2C1=O ZINC000584626567 358295702 /nfs/dbraw/zinc/29/57/02/358295702.db2.gz NCRIVRQQTJXITP-UHFFFAOYSA-N 0 0 203.241 2.068 10 0 BEAERN COC(=O)c1cc2ccccc2c(CCO)c1 ZINC000584626801 358296240 /nfs/dbraw/zinc/29/62/40/358296240.db2.gz OQLBJRFBMSAGJA-UHFFFAOYSA-N 0 0 230.263 2.161 10 0 BEAERN C[C@H](N[S@](=O)C(C)(C)C)C1CCC1 ZINC000584627561 358297066 /nfs/dbraw/zinc/29/70/66/358297066.db2.gz WZZOKLRAFDPKGH-ISVAXAHUSA-N 0 0 203.351 2.227 10 0 BEAERN C[C@@H](COCc1ccccc1)c1cnc(N)cn1 ZINC000584628168 358297365 /nfs/dbraw/zinc/29/73/65/358297365.db2.gz AMJYJJHXZFHGDJ-NSHDSACASA-N 0 0 243.310 2.379 10 0 BEAERN CCOC(=O)/C=C/c1ccc2c(c1)COC2 ZINC000584627601 358297404 /nfs/dbraw/zinc/29/74/04/358297404.db2.gz TYYMTAHKTFLZIF-GQCTYLIASA-N 0 0 218.252 2.293 10 0 BEAERN C[C@@H]1C(c2ccccc2)C=NC(=S)N1C ZINC000584630717 358301329 /nfs/dbraw/zinc/30/13/29/358301329.db2.gz QTAAUDMUFZFBMZ-SECBINFHSA-N 0 0 218.325 2.236 10 0 BEAERN COC[C@H](C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000172476515 134267604 /nfs/dbraw/zinc/26/76/04/134267604.db2.gz CXHUUUAWYFAHEJ-MXWKQRLJSA-N 0 0 227.348 2.210 10 0 BEAERN COC(=O)[C@]12CCCC[C@H]1[C@@]2(F)Cl ZINC000584657469 358309340 /nfs/dbraw/zinc/30/93/40/358309340.db2.gz KWTQTICRIPUVML-YEPSODPASA-N 0 0 206.644 2.254 10 0 BEAERN CCOC(=O)C1=C[C@H](C)[C@@H]2CC=C[C@@H]2O1 ZINC000584659683 358311354 /nfs/dbraw/zinc/31/13/54/358311354.db2.gz RTYYYPUWQXLIJG-GUBZILKMSA-N 0 0 208.257 2.044 10 0 BEAERN CC(C)(C)n1[n-]c(-c2ccsc2)cc1=O ZINC000584660803 358311938 /nfs/dbraw/zinc/31/19/38/358311938.db2.gz QWIUDSDTYQPPEJ-UHFFFAOYSA-N 0 0 222.313 2.483 10 0 BEAERN COC(=O)CCCCc1ccc2c(c1)CC(=O)O2 ZINC000584661789 358312731 /nfs/dbraw/zinc/31/27/31/358312731.db2.gz WYHXYPOIEIXWAY-UHFFFAOYSA-N 0 0 248.278 2.034 10 0 BEAERN O=C1CC[C@]2(CCC[C@@H]2O)N1Cc1ccccc1 ZINC000584616610 358281520 /nfs/dbraw/zinc/28/15/20/358281520.db2.gz IYJNBFHLPHVSPZ-ZFWWWQNUSA-N 0 0 245.322 2.093 10 0 BEAERN NC(=O)[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000584631237 358282681 /nfs/dbraw/zinc/28/26/81/358282681.db2.gz FBPRJQKFAOGPJJ-NSHDSACASA-N 0 0 219.259 2.495 10 0 BEAERN CCOC(=O)c1cccc2c1CC[C@H]2CCO ZINC000584618791 358284688 /nfs/dbraw/zinc/28/46/88/358284688.db2.gz XGGBALHGHHKBST-JTQLQIEISA-N 0 0 234.295 2.276 10 0 BEAERN CC(C)(C)NN1CSCCCSC1 ZINC000584645061 358330299 /nfs/dbraw/zinc/33/02/99/358330299.db2.gz JADNBLVEGPMRFO-UHFFFAOYSA-N 0 0 220.407 2.377 10 0 BEAERN C[C@H](c1ccc(Cl)cc1)n1nncc1N ZINC000584645608 358330913 /nfs/dbraw/zinc/33/09/13/358330913.db2.gz ABMGUGJWXMNEAB-SSDOTTSWSA-N 0 0 222.679 2.123 10 0 BEAERN CN1N=C2c3ccccc3CCC[C@H]2CC1=O ZINC000584632557 358315234 /nfs/dbraw/zinc/31/52/34/358315234.db2.gz OYUKGPREBCSXTP-NSHDSACASA-N 0 0 228.295 2.205 10 0 BEAERN COC(=O)[C@H](C)c1ccc(Cl)nc1OC ZINC000584633325 358317072 /nfs/dbraw/zinc/31/70/72/358317072.db2.gz CBMQAXZYSMEAKV-ZCFIWIBFSA-N 0 0 229.663 2.020 10 0 BEAERN CN1C(=O)Cc2c1c(F)ccc2Br ZINC000584635545 358319211 /nfs/dbraw/zinc/31/92/11/358319211.db2.gz AUJKDLQCVSKNAU-UHFFFAOYSA-N 0 0 244.063 2.107 10 0 BEAERN Cc1ccc(N2C(=S)SC[C@@H]2O)cc1 ZINC000584636242 358320405 /nfs/dbraw/zinc/32/04/05/358320405.db2.gz DZTULXRTVNVITN-VIFPVBQESA-N 0 0 225.338 2.152 10 0 BEAERN COc1ccc(O)c(-c2nc(C)c(C)[nH]2)c1 ZINC000584636141 358320631 /nfs/dbraw/zinc/32/06/31/358320631.db2.gz BVCNOCQPBDAQSS-UHFFFAOYSA-N 0 0 218.256 2.408 10 0 BEAERN COc1cc(F)c(F)cc1N1CCC(=O)CC1 ZINC000584637106 358322207 /nfs/dbraw/zinc/32/22/07/358322207.db2.gz UKYPTBAQMOCIBC-UHFFFAOYSA-N 0 0 241.237 2.143 10 0 BEAERN CC(C)CCN1C[C@H](CO)O[C@H]1c1ccccc1 ZINC000584638466 358324157 /nfs/dbraw/zinc/32/41/57/358324157.db2.gz ACUIXYNWTNRCGI-CABCVRRESA-N 0 0 249.354 2.424 10 0 BEAERN CC(C)(C)OC(=O)c1snc(N)c1Cl ZINC000584638769 358324589 /nfs/dbraw/zinc/32/45/89/358324589.db2.gz NZCZJFPKJQGLCY-UHFFFAOYSA-N 0 0 234.708 2.164 10 0 BEAERN CN(C)c1nc2ccccc2p1N(C)C ZINC000584641743 358327214 /nfs/dbraw/zinc/32/72/14/358327214.db2.gz RQOUGYSYSWTWGM-UHFFFAOYSA-N 0 0 221.244 2.485 10 0 BEAERN O=C([O-])[C@@H]1CC2(CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC000584643034 358327763 /nfs/dbraw/zinc/32/77/63/358327763.db2.gz FXDXIKJJOMGLTP-UTUOFQBUSA-N 0 0 237.343 2.267 10 0 BEAERN CCOC(=O)c1ccc(OC(F)F)c(O)c1 ZINC000584642105 358327863 /nfs/dbraw/zinc/32/78/63/358327863.db2.gz FZKWVCUVCMZSEU-UHFFFAOYSA-N 0 0 232.182 2.170 10 0 BEAERN CCCN(CCO)C(=O)OCc1ccccc1 ZINC000042239767 358343655 /nfs/dbraw/zinc/34/36/55/358343655.db2.gz QCBLUUVWJHZFJU-UHFFFAOYSA-N 0 0 237.299 2.028 10 0 BEAERN Cc1nccnc1[C@H](C)NCc1cscn1 ZINC000219123650 134274701 /nfs/dbraw/zinc/27/47/01/134274701.db2.gz QUPUXTLBOIZLCM-VIFPVBQESA-N 0 0 234.328 2.092 10 0 BEAERN O=C(N[C@H]1CC12CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000387300900 363609326 /nfs/dbraw/zinc/60/93/26/363609326.db2.gz OWXOHDAVOSSPSQ-USZNOCQGSA-N 0 0 219.328 2.481 10 0 BEAERN O=C(NCC(F)F)N1CCC[C@H]1c1ccco1 ZINC000174386298 134280850 /nfs/dbraw/zinc/28/08/50/134280850.db2.gz QEOFDYJXXYMGAV-QMMMGPOBSA-N 0 0 244.241 2.391 10 0 BEAERN Cc1cc(I)c(C)cn1 ZINC000148377786 358429660 /nfs/dbraw/zinc/42/96/60/358429660.db2.gz GNBUIYQLKHMYJR-UHFFFAOYSA-N 0 0 233.052 2.303 10 0 BEAERN O=C1NCCN1c1cccc(Cl)c1F ZINC000169078053 358545696 /nfs/dbraw/zinc/54/56/96/358545696.db2.gz CVOLXSPFLXGGRY-UHFFFAOYSA-N 0 0 214.627 2.009 10 0 BEAERN CC(C)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126337183 358549214 /nfs/dbraw/zinc/54/92/14/358549214.db2.gz UKZANPPFVLFVKZ-AWEZNQCLSA-N 0 0 235.327 2.422 10 0 BEAERN CCCC[C@@H](CC)C(=O)NC(C)(C)[C@@H](C)O ZINC000128479378 358576395 /nfs/dbraw/zinc/57/63/95/358576395.db2.gz IODMTLYKZUNDEF-GHMZBOCLSA-N 0 0 229.364 2.478 10 0 BEAERN CC[C@@H](Nc1ncnc2c1cnn2C)C(C)C ZINC000042591236 358527272 /nfs/dbraw/zinc/52/72/72/358527272.db2.gz ZFSNTXVPWCWIDL-SNVBAGLBSA-N 0 0 233.319 2.210 10 0 BEAERN CC[C@H](Nc1ccnc(C(N)=O)c1)C(C)C ZINC000042590955 358527516 /nfs/dbraw/zinc/52/75/16/358527516.db2.gz NNEKOLDRRDNJJN-JTQLQIEISA-N 0 0 221.304 2.027 10 0 BEAERN C[C@@H](N[C@@H](C)c1ccoc1)c1nccn1C ZINC000132319665 491135132 /nfs/dbraw/zinc/13/51/32/491135132.db2.gz AUHCHJKZVZDBIN-VHSXEESVSA-N 0 0 219.288 2.425 10 0 BEAERN O=C(Cc1ccoc1)NCCC1=CCCC1 ZINC000130648130 358638206 /nfs/dbraw/zinc/63/82/06/358638206.db2.gz ZFMSZESJGOAUHJ-UHFFFAOYSA-N 0 0 219.284 2.439 10 0 BEAERN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC000129393108 358586044 /nfs/dbraw/zinc/58/60/44/358586044.db2.gz XMXHCFBBMRQSAV-QJPTWQEYSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1ccc(CN(C)C(=O)c2ccco2)o1 ZINC000047466158 358589632 /nfs/dbraw/zinc/58/96/32/358589632.db2.gz KFMJJHRKEJBCSX-UHFFFAOYSA-N 0 0 219.240 2.453 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000130858324 358649704 /nfs/dbraw/zinc/64/97/04/358649704.db2.gz LSTVLHOYHJFQFZ-TUAOUCFPSA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)CCC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000130883333 358650675 /nfs/dbraw/zinc/65/06/75/358650675.db2.gz ABFNMXUVFVPASR-VXGBXAGGSA-N 0 0 227.348 2.232 10 0 BEAERN Cc1[nH]ccc1C(=O)N[C@H]1COc2ccccc21 ZINC000175940211 134288824 /nfs/dbraw/zinc/28/88/24/134288824.db2.gz UPPVOJCYCRUGSR-LBPRGKRZSA-N 0 0 242.278 2.187 10 0 BEAERN O=C(Nc1cc[nH]n1)c1cc2ccccc2[nH]1 ZINC000048798836 358653960 /nfs/dbraw/zinc/65/39/60/358653960.db2.gz YCPYHOUWVMBHRE-UHFFFAOYSA-N 0 0 226.239 2.143 10 0 BEAERN COCc1ccccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000131599295 358684182 /nfs/dbraw/zinc/68/41/82/358684182.db2.gz IYRCYULZFPOBNA-ZWNOBZJWSA-N 0 0 249.310 2.339 10 0 BEAERN CCSCC[C@@H](C)N(C)C(=O)[C@H](C)COC ZINC000175576191 134287980 /nfs/dbraw/zinc/28/79/80/134287980.db2.gz HWJVZROWVJPQBF-GHMZBOCLSA-N 0 0 247.404 2.259 10 0 BEAERN CCOCCCNC(=O)c1oc(CC)cc1C ZINC000133820648 358770409 /nfs/dbraw/zinc/77/04/09/358770409.db2.gz CKXCPQZCTHIKBS-UHFFFAOYSA-N 0 0 239.315 2.307 10 0 BEAERN C[C@@H](O)[C@H](O)c1c(F)c(F)ccc1Cl ZINC000306148714 358755646 /nfs/dbraw/zinc/75/56/46/358755646.db2.gz BEHYVZISLOBUIV-MOFOKWOHSA-N 0 0 222.618 2.032 10 0 BEAERN OC[C@@H](NO)c1ccc(Cl)cc1Cl ZINC000306148998 358758392 /nfs/dbraw/zinc/75/83/92/358758392.db2.gz DHLUDJPIZZPCPF-MRVPVSSYSA-N 0 0 222.071 2.006 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1cc(Br)ncn1 ZINC000160807248 358719754 /nfs/dbraw/zinc/71/97/54/358719754.db2.gz FXALUDGXHSEHHK-RNFRBKRXSA-N 0 0 242.120 2.307 10 0 BEAERN CC[C@@]1(C)CN(C(=O)CCCSC)CCO1 ZINC000135323182 325407834 /nfs/dbraw/zinc/40/78/34/325407834.db2.gz QVWXIOASDRIALJ-LBPRGKRZSA-N 0 0 245.388 2.157 10 0 BEAERN CCC(=O)N(C)c1cc(Cl)ccc1N ZINC000231096979 358742131 /nfs/dbraw/zinc/74/21/31/358742131.db2.gz QXGUQIDULCIABE-UHFFFAOYSA-N 0 0 212.680 2.295 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)Cc2ccccc2O)C1 ZINC000134976834 358813314 /nfs/dbraw/zinc/81/33/14/358813314.db2.gz OWQKEWMJHMKTLX-CYBMUJFWSA-N 0 0 247.338 2.439 10 0 BEAERN CN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCOC1 ZINC000135121189 358820805 /nfs/dbraw/zinc/82/08/05/358820805.db2.gz RGRHTOOTHHQZPJ-SNVBAGLBSA-N 0 0 244.294 2.029 10 0 BEAERN O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1CCCO ZINC000052759203 358792452 /nfs/dbraw/zinc/79/24/52/358792452.db2.gz SKKAYWLBXPJPIK-OLZOCXBDSA-N 0 0 237.343 2.106 10 0 BEAERN CCCCC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176974174 134295176 /nfs/dbraw/zinc/29/51/76/134295176.db2.gz VZWCZCUUAIBISW-LBPRGKRZSA-N 0 0 226.364 2.119 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)COC(C)(C)C)C1 ZINC000135872292 358851651 /nfs/dbraw/zinc/85/16/51/358851651.db2.gz ILHFFGCQTPKVRJ-LLVKDONJSA-N 0 0 227.348 2.306 10 0 BEAERN O=C([O-])[C@]1(Cc2csc(Cl)c2)CC[NH2+]C1 ZINC000306153376 358919023 /nfs/dbraw/zinc/91/90/23/358919023.db2.gz AVXYBLAOOBWJHY-JTQLQIEISA-N 0 0 245.731 2.008 10 0 BEAERN O=C(NCc1ccccc1)c1cnc(Cl)nc1 ZINC000306149786 358875621 /nfs/dbraw/zinc/87/56/21/358875621.db2.gz BXVJKJUUJBIWTK-UHFFFAOYSA-N 0 0 247.685 2.060 10 0 BEAERN C[C@@H](CO)[C@@H](C)Nc1csc(Cl)n1 ZINC000306151932 358918300 /nfs/dbraw/zinc/91/83/00/358918300.db2.gz HWUNTKASQWWJKL-NTSWFWBYSA-N 0 0 220.725 2.225 10 0 BEAERN C[C@@H]1OCC[C@H]1S[C@H]1CCCC[C@@H]1O ZINC000300339411 358962575 /nfs/dbraw/zinc/96/25/75/358962575.db2.gz VDORXFQXKQKWLH-MMWGEVLESA-N 0 0 216.346 2.201 10 0 BEAERN Cc1ccsc1C(=O)Cc1nccn1C ZINC000160844909 358963295 /nfs/dbraw/zinc/96/32/95/358963295.db2.gz YAXQNFQRFRYGDV-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN C[C@H](CO)Nc1cc(F)cc(Cl)c1 ZINC000306195769 359024266 /nfs/dbraw/zinc/02/42/66/359024266.db2.gz JZMQWWSMMZEQJI-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN CCOCC1CCN(c2nccc(C)n2)CC1 ZINC000301299356 535443593 /nfs/dbraw/zinc/44/35/93/535443593.db2.gz ZULZMKAWIVGCEO-UHFFFAOYSA-N 0 0 235.331 2.038 10 0 BEAERN CCN1CCC(=O)N(c2ccc(F)cc2)C1=O ZINC000051784566 535444048 /nfs/dbraw/zinc/44/40/48/535444048.db2.gz ZRNBYVUSVXAZPS-UHFFFAOYSA-N 0 0 236.246 2.004 10 0 BEAERN CCS[C@@H]1CCC[C@H]1N1CN=NC1=S ZINC000300389033 358981984 /nfs/dbraw/zinc/98/19/84/358981984.db2.gz PIRUSIBMGYQLCD-HTQZYQBOSA-N 0 0 229.374 2.414 10 0 BEAERN Cc1ccc([C@@]2(C)CC[C@H](CO)O2)s1 ZINC000306178555 358989901 /nfs/dbraw/zinc/98/99/01/358989901.db2.gz HGIBHQFMKNLFGQ-MWLCHTKSSA-N 0 0 212.314 2.443 10 0 BEAERN Clc1nccnc1OCc1cccnc1 ZINC000306179884 358990328 /nfs/dbraw/zinc/99/03/28/358990328.db2.gz IULHNVNJPGFLBR-UHFFFAOYSA-N 0 0 221.647 2.104 10 0 BEAERN CCCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246809640 359166366 /nfs/dbraw/zinc/16/63/66/359166366.db2.gz JJDGOSFLMNTIIG-MGPQQGTHSA-N 0 0 244.338 2.282 10 0 BEAERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1C[C@H]1C)C2 ZINC000246953475 359177128 /nfs/dbraw/zinc/17/71/28/359177128.db2.gz SHGBFYRBIWIHQO-OSMZGAPFSA-N 0 0 245.322 2.132 10 0 BEAERN CCOC(=O)[C@H](C)N1CCC[C@H]1c1ccco1 ZINC000247553443 359234212 /nfs/dbraw/zinc/23/42/12/359234212.db2.gz SUMGQCUWGSQVDU-QWRGUYRKSA-N 0 0 237.299 2.368 10 0 BEAERN O=C1NCCCN1c1ccccc1Cl ZINC000169132443 359317819 /nfs/dbraw/zinc/31/78/19/359317819.db2.gz MXMYFWAKQXSQNW-UHFFFAOYSA-N 0 0 210.664 2.260 10 0 BEAERN OC[C@@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000306203383 359293189 /nfs/dbraw/zinc/29/31/89/359293189.db2.gz YIBITCGPSDQNBD-MRVPVSSYSA-N 0 0 222.071 2.006 10 0 BEAERN COc1ccc([C@@]2(O)CCS[C@H]2C)s1 ZINC000306204291 359294401 /nfs/dbraw/zinc/29/44/01/359294401.db2.gz NGHAONFJWMUBFJ-OIBJUYFYSA-N 0 0 230.354 2.470 10 0 BEAERN Cc1ncc([C@H]2NC[C@H](C)S2)s1 ZINC000306207679 359299006 /nfs/dbraw/zinc/29/90/06/359299006.db2.gz JKAOICKTBNGCLO-XNCJUZBTSA-N 0 0 200.332 2.175 10 0 BEAERN CC(C)c1nnc(CN2CC[C@@H](C)[C@@H]2C)n1C ZINC000248344926 359266952 /nfs/dbraw/zinc/26/69/52/359266952.db2.gz MEASPWXXJKNZON-MNOVXSKESA-N 0 0 236.363 2.169 10 0 BEAERN FCCNc1ncc(Br)s1 ZINC000306245991 359431823 /nfs/dbraw/zinc/43/18/23/359431823.db2.gz AQMPYNFWUTVNNQ-UHFFFAOYSA-N 0 0 225.086 2.287 10 0 BEAERN CC1(C)COC[C@]1(O)Cc1cccs1 ZINC000306237909 359399135 /nfs/dbraw/zinc/39/91/35/359399135.db2.gz PFENPXWEFPQUDP-LLVKDONJSA-N 0 0 212.314 2.078 10 0 BEAERN CC1(C)COC[C@@]1(O)Cc1cccs1 ZINC000306237915 359399152 /nfs/dbraw/zinc/39/91/52/359399152.db2.gz PFENPXWEFPQUDP-NSHDSACASA-N 0 0 212.314 2.078 10 0 BEAERN CC(C)[C@H](O)C[C@@]1(C)CCC[C@@]1(C)O ZINC000306237310 359399298 /nfs/dbraw/zinc/39/92/98/359399298.db2.gz OPTRHHGCYSUPKG-IJLUTSLNSA-N 0 0 200.322 2.335 10 0 BEAERN O=c1cc(Cl)ncn1CC=C(Cl)Cl ZINC000403502071 359400831 /nfs/dbraw/zinc/40/08/31/359400831.db2.gz YOVWCDWPALJPFK-UHFFFAOYSA-N 0 0 239.489 2.216 10 0 BEAERN CCSc1ncnc2sc(N)cc21 ZINC000306256023 359471394 /nfs/dbraw/zinc/47/13/94/359471394.db2.gz NNPHHHDEFCQJJF-UHFFFAOYSA-N 0 0 211.315 2.386 10 0 BEAERN OC[C@H]1C[C@H]1Oc1ccccc1Br ZINC000306258253 359474086 /nfs/dbraw/zinc/47/40/86/359474086.db2.gz ZTNNJUSVJZQIBJ-GMSGAONNSA-N 0 0 243.100 2.209 10 0 BEAERN Cc1cc(Br)c(CNN)cc1Cl ZINC000306285402 359518431 /nfs/dbraw/zinc/51/84/31/359518431.db2.gz KEXVWSLEZKUPGJ-UHFFFAOYSA-N 0 0 249.539 2.374 10 0 BEAERN CNC(=O)c1c(C)cc(Br)cc1F ZINC000306301767 359580500 /nfs/dbraw/zinc/58/05/00/359580500.db2.gz ZNQABCOLDKZPOK-UHFFFAOYSA-N 0 0 246.079 2.256 10 0 BEAERN C[C@H]1C[C@H]([NH2+]C2(C(=O)[O-])CC2)C[C@@H](C)C1 ZINC000306312058 359593364 /nfs/dbraw/zinc/59/33/64/359593364.db2.gz DGWBWPXMQKLNQY-MYJAWHEDSA-N 0 0 211.305 2.018 10 0 BEAERN C[C@H]1CCCCN1C(=O)C(F)(F)Cl ZINC000306303625 359582915 /nfs/dbraw/zinc/58/29/15/359582915.db2.gz BEYXTIAFZNKBRI-LURJTMIESA-N 0 0 211.639 2.219 10 0 BEAERN Cc1csc(N[C@@H](C)C[C@@H](C)O)n1 ZINC000130341303 359587777 /nfs/dbraw/zinc/58/77/77/359587777.db2.gz FYCSOOQYLZTRIG-POYBYMJQSA-N 0 0 200.307 2.023 10 0 BEAERN CCCOC(=O)[C@@H](O)c1cccc(Cl)c1 ZINC000141503178 359602877 /nfs/dbraw/zinc/60/28/77/359602877.db2.gz XHBVWTBGRTYMHJ-JTQLQIEISA-N 0 0 228.675 2.327 10 0 BEAERN Nc1nc(NCCF)c(Cl)cc1Cl ZINC000306321149 359606424 /nfs/dbraw/zinc/60/64/24/359606424.db2.gz KVWPISPTPSQONP-UHFFFAOYSA-N 0 0 224.066 2.352 10 0 BEAERN C[C@]1(Cc2ccccc2)CC(=O)CCO1 ZINC000306323642 359607748 /nfs/dbraw/zinc/60/77/48/359607748.db2.gz MHQBVZDWXVFAHV-ZDUSSCGKSA-N 0 0 204.269 2.367 10 0 BEAERN Cc1cc(C[C@@]2(CO)CCCO2)cs1 ZINC000306329438 359610733 /nfs/dbraw/zinc/61/07/33/359610733.db2.gz ZQLMLAIPCFLOQP-LLVKDONJSA-N 0 0 212.314 2.141 10 0 BEAERN O=C1CC[C@@H](Cc2ccsc2Cl)N1 ZINC000306337871 359637784 /nfs/dbraw/zinc/63/77/84/359637784.db2.gz XGAKVCCNSIZTRG-ZETCQYMHSA-N 0 0 215.705 2.223 10 0 BEAERN C[C@@H](CC(F)F)Nc1cc(F)ncn1 ZINC000306342484 359661680 /nfs/dbraw/zinc/66/16/80/359661680.db2.gz KDBOWLKKXVUZCG-YFKPBYRVSA-N 0 0 205.183 2.071 10 0 BEAERN CC1(C)CN(c2ccc(C=O)cc2F)C1 ZINC000306355863 359682141 /nfs/dbraw/zinc/68/21/41/359682141.db2.gz SGUZCHFOTCNXJP-UHFFFAOYSA-N 0 0 207.248 2.484 10 0 BEAERN O=C1CSc2cc(F)c(F)cc2N1 ZINC000306354849 359683326 /nfs/dbraw/zinc/68/33/26/359683326.db2.gz JEKHCFLPAXQJGQ-UHFFFAOYSA-N 0 0 201.197 2.009 10 0 BEAERN Clc1cnc(CSc2ccncn2)cn1 ZINC000231291873 359704054 /nfs/dbraw/zinc/70/40/54/359704054.db2.gz AFBNZWXVKVTSRE-UHFFFAOYSA-N 0 0 238.703 2.212 10 0 BEAERN CC1(C)C[C@H]1Nc1cnc(Br)cn1 ZINC000306370724 359706085 /nfs/dbraw/zinc/70/60/85/359706085.db2.gz NPNNJOALTYRHBI-ZCFIWIBFSA-N 0 0 242.120 2.450 10 0 BEAERN COC(=O)c1cc(C)c(OC(F)(F)F)cn1 ZINC000380869712 359756090 /nfs/dbraw/zinc/75/60/90/359756090.db2.gz BGBWAQHBFMFJNQ-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cc1cccc(CNC(=O)C[C@H]2C=CCC2)n1 ZINC000130391274 359723484 /nfs/dbraw/zinc/72/34/84/359723484.db2.gz YJQJRWDKJUWEPQ-LBPRGKRZSA-N 0 0 230.311 2.363 10 0 BEAERN COc1cc(N)cc(OC(F)(F)F)c1F ZINC000396106373 359807099 /nfs/dbraw/zinc/80/70/99/359807099.db2.gz QEEVCXAWBJWMMG-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN O=C(NC1(C2CC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000612407158 359835348 /nfs/dbraw/zinc/83/53/48/359835348.db2.gz PMLNGPYTMUXARB-ILWJIGKKSA-N 0 0 205.301 2.091 10 0 BEAERN C[C@@]1(Nc2ncncc2Cl)CCCOC1 ZINC000309113430 491144975 /nfs/dbraw/zinc/14/49/75/491144975.db2.gz KMUTZMVWSRLYCS-SNVBAGLBSA-N 0 0 227.695 2.111 10 0 BEAERN CCN(C(N)=O)c1cccc(Br)c1 ZINC000306421288 359866987 /nfs/dbraw/zinc/86/69/87/359866987.db2.gz HACGVLBVQBLFMT-UHFFFAOYSA-N 0 0 243.104 2.354 10 0 BEAERN Nc1cc(F)ccc1N[C@H]1CCSC1 ZINC000231344063 359858443 /nfs/dbraw/zinc/85/84/43/359858443.db2.gz WLUREEDKZHPIFX-QMMMGPOBSA-N 0 0 212.293 2.325 10 0 BEAERN Cc1ccnc(N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000309140080 491145480 /nfs/dbraw/zinc/14/54/80/491145480.db2.gz GWORHMNUICEWQD-GHMZBOCLSA-N 0 0 206.289 2.105 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000246146042 325546180 /nfs/dbraw/zinc/54/61/80/325546180.db2.gz OPBKYJBMIJTDQL-KXNHARMFSA-N 0 0 227.348 2.210 10 0 BEAERN Cc1cnc(Cl)nc1N[C@H]1CCSC1 ZINC000231379277 360033789 /nfs/dbraw/zinc/03/37/89/360033789.db2.gz SAGVAZBSHYOLKI-ZETCQYMHSA-N 0 0 229.736 2.356 10 0 BEAERN CC[C@H](C)[C@@H](O)c1ncncc1Br ZINC000306455896 360046067 /nfs/dbraw/zinc/04/60/67/360046067.db2.gz QHVPITUZHUUWQA-IMTBSYHQSA-N 0 0 245.120 2.319 10 0 BEAERN CN[C@]1(C(F)F)CCCc2occc21 ZINC000169278436 360046324 /nfs/dbraw/zinc/04/63/24/360046324.db2.gz RPMIKXOUKYDZAX-SNVBAGLBSA-N 0 0 201.216 2.296 10 0 BEAERN CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000119878780 359999812 /nfs/dbraw/zinc/99/98/12/359999812.db2.gz WFLKJDQDNNZLMI-QWHCGFSZSA-N 0 0 240.391 2.269 10 0 BEAERN CCc1nnc(CSCC2CC2)n1C ZINC000091036785 360099515 /nfs/dbraw/zinc/09/95/15/360099515.db2.gz OSURSTLWRYUMQM-UHFFFAOYSA-N 0 0 211.334 2.021 10 0 BEAERN C[C@@H](CO)Nc1ccc(Br)cc1F ZINC000306463557 360069127 /nfs/dbraw/zinc/06/91/27/360069127.db2.gz HLMJVMZGDQGUJT-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN O[C@@H](c1csnn1)c1ccsc1Cl ZINC000306465649 360078813 /nfs/dbraw/zinc/07/88/13/360078813.db2.gz JZZXMCNHROIMIT-ZCFIWIBFSA-N 0 0 232.717 2.335 10 0 BEAERN CSCn1c(=O)sc2c1CCCC2 ZINC000306470432 360087532 /nfs/dbraw/zinc/08/75/32/360087532.db2.gz QPVQCNUSNWKBJB-UHFFFAOYSA-N 0 0 215.343 2.109 10 0 BEAERN CC(C)(O)CNc1cc(Cl)ccc1N ZINC000228412387 360142513 /nfs/dbraw/zinc/14/25/13/360142513.db2.gz WCXSKBKTSNEIBC-UHFFFAOYSA-N 0 0 214.696 2.105 10 0 BEAERN Clc1cnc(Nc2c[nH]cn2)s1 ZINC000306480798 360151166 /nfs/dbraw/zinc/15/11/66/360151166.db2.gz NQVZDLNTPCNBKX-UHFFFAOYSA-N 0 0 200.654 2.263 10 0 BEAERN Cc1cc(C(=O)c2cccc(N)n2)cs1 ZINC000306490090 360197328 /nfs/dbraw/zinc/19/73/28/360197328.db2.gz USPRORLCSUAPPJ-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN Oc1csc(SC2CCCC2)n1 ZINC000306490217 360198803 /nfs/dbraw/zinc/19/88/03/360198803.db2.gz YJENRZLXDYHQHY-UHFFFAOYSA-N 0 0 201.316 2.292 10 0 BEAERN OC[C@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000306487610 360169891 /nfs/dbraw/zinc/16/98/91/360169891.db2.gz UEOGZASYOOTFIN-PHDIDXHHSA-N 0 0 219.693 2.009 10 0 BEAERN BrC1=CCCN(Cc2cc[nH]c2)C1 ZINC000306489460 360178497 /nfs/dbraw/zinc/17/84/97/360178497.db2.gz LOCOSUUTPRCOSD-UHFFFAOYSA-N 0 0 241.132 2.499 10 0 BEAERN COC(=O)c1ccc(CNc2cnccc2C)[nH]1 ZINC000093085645 360215896 /nfs/dbraw/zinc/21/58/96/360215896.db2.gz UWBXSMMSGCWVEI-UHFFFAOYSA-N 0 0 245.282 2.117 10 0 BEAERN Cc1cc[n+]([O-])c(NCc2ccccc2)c1 ZINC000306497150 360226658 /nfs/dbraw/zinc/22/66/58/360226658.db2.gz ZYADKAWQSUNHOP-UHFFFAOYSA-N 0 0 214.268 2.241 10 0 BEAERN Cc1cc(N(C)C(N)=O)ccc1Br ZINC000306503721 360301230 /nfs/dbraw/zinc/30/12/30/360301230.db2.gz QFDBJHYXQKXZLQ-UHFFFAOYSA-N 0 0 243.104 2.272 10 0 BEAERN Cc1ccc([C@H]2CN(Cc3cc[nH]c3)CCO2)o1 ZINC000093864936 360284195 /nfs/dbraw/zinc/28/41/95/360284195.db2.gz DDNVXJKAJVHWOJ-CQSZACIVSA-N 0 0 246.310 2.490 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccc(N)cc1Cl ZINC000306513300 360334420 /nfs/dbraw/zinc/33/44/20/360334420.db2.gz ADTAGSGXTXWOLG-BQBZGAKWSA-N 0 0 214.696 2.103 10 0 BEAERN c1nsc(NC[C@@H]2CCCSC2)n1 ZINC000306511211 360337260 /nfs/dbraw/zinc/33/72/60/360337260.db2.gz MMXARUBQRAJQRO-ZETCQYMHSA-N 0 0 215.347 2.093 10 0 BEAERN C[C@H](Nc1cc(Cl)ncn1)C(F)(F)F ZINC000306520172 360344247 /nfs/dbraw/zinc/34/42/47/360344247.db2.gz KBKMWZXJHLPWOW-BYPYZUCNSA-N 0 0 225.601 2.493 10 0 BEAERN OCc1cnc(NCc2ccccc2)s1 ZINC000306518975 360345621 /nfs/dbraw/zinc/34/56/21/360345621.db2.gz INZASSIIECEFMP-UHFFFAOYSA-N 0 0 220.297 2.248 10 0 BEAERN Cc1cc(NC/C=C\C2CC2)nc(Cl)n1 ZINC000379193363 360348818 /nfs/dbraw/zinc/34/88/18/360348818.db2.gz VIVJAYJRWKQTHN-IHWYPQMZSA-N 0 0 223.707 2.238 10 0 BEAERN CON(C)C(=O)c1c(C)csc1Cl ZINC000306508030 360310540 /nfs/dbraw/zinc/31/05/40/360310540.db2.gz AIMMWHFLNNCZCD-UHFFFAOYSA-N 0 0 219.693 2.343 10 0 BEAERN CCOC(=O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000094837413 360322820 /nfs/dbraw/zinc/32/28/20/360322820.db2.gz AQZGELVRWMQJCS-JTQLQIEISA-N 0 0 239.290 2.348 10 0 BEAERN [NH3+][C@H](c1ncc(Cl)s1)C1(C(=O)[O-])CCC1 ZINC000306524661 360369268 /nfs/dbraw/zinc/36/92/68/360369268.db2.gz ZMRHUYVNYUNXLT-ZCFIWIBFSA-N 0 0 246.719 2.051 10 0 BEAERN CC[C@H]1[C@@H](C)CCN1C1N=NC(=S)S1 ZINC000306524651 360369325 /nfs/dbraw/zinc/36/93/25/360369325.db2.gz ZLZIGWYMNQMUMD-BQBZGAKWSA-N 0 0 229.374 2.452 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C1N=NC(=S)S1 ZINC000306524653 360369687 /nfs/dbraw/zinc/36/96/87/360369687.db2.gz ZLZIGWYMNQMUMD-RNFRBKRXSA-N 0 0 229.374 2.452 10 0 BEAERN Cc1cc(C(=O)CC2(C)CCC2)n(C)n1 ZINC000306524664 360369814 /nfs/dbraw/zinc/36/98/14/360369814.db2.gz ZNFIYMJLSQIJBC-UHFFFAOYSA-N 0 0 206.289 2.492 10 0 BEAERN C[C@H]1CCCC[C@]1(C)N1CN=NC1=S ZINC000306536041 360400187 /nfs/dbraw/zinc/40/01/87/360400187.db2.gz KGNUQIVVYLRJFN-WPRPVWTQSA-N 0 0 211.334 2.492 10 0 BEAERN CC(C)[C@H](C)n1cnc(Cl)cc1=O ZINC000306530700 360393429 /nfs/dbraw/zinc/39/34/29/360393429.db2.gz DSBHXAGYLPRRBE-ZETCQYMHSA-N 0 0 200.669 2.114 10 0 BEAERN Cc1nc(-c2cnc(C=O)s2)cs1 ZINC000306533324 360394521 /nfs/dbraw/zinc/39/45/21/360394521.db2.gz CTKQBSNRRCFGKI-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN CC(C)SCc1csc(=NN)[nH]1 ZINC000306538452 360401387 /nfs/dbraw/zinc/40/13/87/360401387.db2.gz SMOBUVFISXXWDB-UHFFFAOYSA-N 0 0 203.336 2.070 10 0 BEAERN Cc1cncc(NC2CCSCC2)n1 ZINC000306536951 360401930 /nfs/dbraw/zinc/40/19/30/360401930.db2.gz KWGYMNOMOINPSD-UHFFFAOYSA-N 0 0 209.318 2.093 10 0 BEAERN Cc1cc(F)ccc1C(=O)c1cn[nH]c1 ZINC000306520685 360357693 /nfs/dbraw/zinc/35/76/93/360357693.db2.gz LEZOVMXRZDXIIP-UHFFFAOYSA-N 0 0 204.204 2.088 10 0 BEAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@]1(C)CCCS1 ZINC000306520912 360358254 /nfs/dbraw/zinc/35/82/54/360358254.db2.gz LUDOXYBMAANGDE-QXEWZRGKSA-N 0 0 213.346 2.043 10 0 BEAERN NC(=O)c1c(F)ccc(F)c1C(F)F ZINC000306523060 360359662 /nfs/dbraw/zinc/35/96/62/360359662.db2.gz RCJGXFYKKMLZQQ-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN CC(C)n1nccc1[C@H](O)C(F)(F)F ZINC000300749083 360435887 /nfs/dbraw/zinc/43/58/87/360435887.db2.gz JSZPOTCLFWMSBZ-ZETCQYMHSA-N 0 0 208.183 2.060 10 0 BEAERN N[C@H](c1ccsn1)c1sccc1F ZINC000306563368 360441102 /nfs/dbraw/zinc/44/11/02/360441102.db2.gz VQRXXRXRIPOXMZ-SSDOTTSWSA-N 0 0 214.290 2.392 10 0 BEAERN CC(C)n1c(C(C)(F)F)n[nH]c1=S ZINC000306564217 360442672 /nfs/dbraw/zinc/44/26/72/360442672.db2.gz WLPQCKCXOILVSA-UHFFFAOYSA-N 0 0 207.249 2.259 10 0 BEAERN C[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=S)CS1 ZINC000306565621 360443499 /nfs/dbraw/zinc/44/34/99/360443499.db2.gz FOMCUEZNVCMFLX-RNFRBKRXSA-N 0 0 228.342 2.385 10 0 BEAERN C[C@@H](Oc1cnc(Cl)cn1)C(F)(F)F ZINC000306565632 360444128 /nfs/dbraw/zinc/44/41/28/360444128.db2.gz FPAAUWHDOGGUDA-SCSAIBSYSA-N 0 0 226.585 2.460 10 0 BEAERN Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000614140287 363732871 /nfs/dbraw/zinc/73/28/71/363732871.db2.gz HSCGXUWOZBOZQQ-NXEZZACHSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000614143529 363733656 /nfs/dbraw/zinc/73/36/56/363733656.db2.gz RQAHSWCHPQCDOC-CHWSQXEVSA-N 0 0 247.338 2.337 10 0 BEAERN C[C@@H](CO)Nc1cc(Br)ccc1F ZINC000306540062 360405688 /nfs/dbraw/zinc/40/56/88/360405688.db2.gz VSXAUEIFTJBYSF-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN CCc1nc([C@@H]2CSCCS2)no1 ZINC000306541253 360410676 /nfs/dbraw/zinc/41/06/76/360410676.db2.gz SLDAYBBXOAKUNY-LURJTMIESA-N 0 0 216.331 2.153 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)c(C)c1 ZINC000614147734 363734725 /nfs/dbraw/zinc/73/47/25/363734725.db2.gz ZFXWEORYBJWXPC-STQMWFEESA-N 0 0 247.338 2.337 10 0 BEAERN Cc1cnc([C@H]2NC[C@@H](C)S2)s1 ZINC000306547337 360416471 /nfs/dbraw/zinc/41/64/71/360416471.db2.gz CCYFFBHPRNDAAZ-SVRRBLITSA-N 0 0 200.332 2.175 10 0 BEAERN CC(=O)c1cnc(N2CCSC[C@H]2C)s1 ZINC000069762080 360423775 /nfs/dbraw/zinc/42/37/75/360423775.db2.gz SOSXMTCJPUHBEK-SSDOTTSWSA-N 0 0 242.369 2.287 10 0 BEAERN CC(C)Cc1ncc(N)c(C(F)F)n1 ZINC000300735099 360423900 /nfs/dbraw/zinc/42/39/00/360423900.db2.gz KQRJTMYRNQSVSF-UHFFFAOYSA-N 0 0 201.220 2.195 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)c1ccc2c(c1)OCC2 ZINC000306551207 360424761 /nfs/dbraw/zinc/42/47/61/360424761.db2.gz ZVWUUIBAKSOCKV-KWQFWETISA-N 0 0 202.253 2.460 10 0 BEAERN O[C@H](C[C@@H]1CCOC1)c1sccc1F ZINC000306560102 360435019 /nfs/dbraw/zinc/43/50/19/360435019.db2.gz AZQIQEQLKBWCEF-IONNQARKSA-N 0 0 216.277 2.347 10 0 BEAERN O[C@@H](c1ccc(Cl)o1)c1ccns1 ZINC000306580107 360470620 /nfs/dbraw/zinc/47/06/20/360470620.db2.gz NQOLBIMYQXKHKG-QMMMGPOBSA-N 0 0 215.661 2.471 10 0 BEAERN CN(c1csc(Cl)n1)[C@H]1CCOC1 ZINC000306580763 360477635 /nfs/dbraw/zinc/47/76/35/360477635.db2.gz YWFDILHDGGVTKS-LURJTMIESA-N 0 0 218.709 2.022 10 0 BEAERN Cc1cn([C@H]2CSC[C@@H]2C)c(=S)[nH]1 ZINC000306584093 360483464 /nfs/dbraw/zinc/48/34/64/360483464.db2.gz PWQNURJVCGITRN-XPUUQOCRSA-N 0 0 214.359 2.404 10 0 BEAERN COc1ccsc1[C@H](O)c1ccns1 ZINC000306589399 360494335 /nfs/dbraw/zinc/49/43/35/360494335.db2.gz UIPPNTSIGMTHJF-MRVPVSSYSA-N 0 0 227.310 2.295 10 0 BEAERN CCSCn1c(=N)sc2c1CCC2 ZINC000306604609 360531200 /nfs/dbraw/zinc/53/12/00/360531200.db2.gz OKIZZLWTZSKMFL-UHFFFAOYSA-N 0 0 214.359 2.228 10 0 BEAERN CN(C(=O)C(F)(F)Cl)[C@H]1CC1(C)C ZINC000306604445 360531312 /nfs/dbraw/zinc/53/13/12/360531312.db2.gz OBHCAXLFPSRARR-YFKPBYRVSA-N 0 0 211.639 2.075 10 0 BEAERN O[C@@H](c1ccns1)c1ccoc1Cl ZINC000306592192 360510272 /nfs/dbraw/zinc/51/02/72/360510272.db2.gz WGGNMDFKMUGUNK-SSDOTTSWSA-N 0 0 215.661 2.471 10 0 BEAERN O[C@H](C[C@@H]1CCOC1)c1ccc(Cl)o1 ZINC000306591849 360510984 /nfs/dbraw/zinc/51/09/84/360510984.db2.gz VWXKWKJHFQPJJQ-JGVFFNPUSA-N 0 0 216.664 2.393 10 0 BEAERN Cc1ncc(CNc2nccnc2Cl)o1 ZINC000306596187 360516999 /nfs/dbraw/zinc/51/69/99/360516999.db2.gz YPSGLXYKEFBGGQ-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1csc([C@H](O)c2cocc2C)n1 ZINC000306610564 360615409 /nfs/dbraw/zinc/61/54/09/360615409.db2.gz AQHCWKROYFYLSJ-SECBINFHSA-N 0 0 209.270 2.435 10 0 BEAERN Brc1nnc(-c2ccns2)s1 ZINC000306608993 360587769 /nfs/dbraw/zinc/58/77/69/360587769.db2.gz JSTCEGFPSNPICF-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN NC(=O)c1cccc(Oc2ccccc2N)c1 ZINC000019845895 181305635 /nfs/dbraw/zinc/30/56/35/181305635.db2.gz GRBVUYUXBVRTJD-UHFFFAOYSA-N 0 0 228.251 2.160 10 0 BEAERN C[C@]1(c2cccc(F)c2)CC(=O)CCO1 ZINC000069853239 360728076 /nfs/dbraw/zinc/72/80/76/360728076.db2.gz UPVBVGNLUXZQIY-GFCCVEGCSA-N 0 0 208.232 2.420 10 0 BEAERN CCOC(=O)Cc1cc(C)nc(Cl)c1 ZINC000238257735 360762844 /nfs/dbraw/zinc/76/28/44/360762844.db2.gz OYGXOHOGQCIQHW-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000188919553 259522380 /nfs/dbraw/zinc/52/23/80/259522380.db2.gz AJQAFIVAGNPVKP-SRVKXCTJSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)c1c(F)ccc(OC)c1F ZINC000238300832 360838821 /nfs/dbraw/zinc/83/88/21/360838821.db2.gz IAYNRZYZGNXEFF-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN COc1ccc(Br)cc1[C@H](C)NO ZINC000238337454 360884272 /nfs/dbraw/zinc/88/42/72/360884272.db2.gz XCKQEPYLRLOUBI-LURJTMIESA-N 0 0 246.104 2.498 10 0 BEAERN NC(=S)C(F)(F)c1ccccc1F ZINC000068576791 181315012 /nfs/dbraw/zinc/31/50/12/181315012.db2.gz XYEUOWOTNNBEEW-UHFFFAOYSA-N 0 0 205.204 2.204 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2nnc(C3CC3)s2)C1 ZINC000309611389 491152450 /nfs/dbraw/zinc/15/24/50/491152450.db2.gz ZOXILCDWWJQQAS-BDAKNGLRSA-N 0 0 239.344 2.131 10 0 BEAERN NC(=S)COc1ccc(Cl)cc1F ZINC000083350190 181316288 /nfs/dbraw/zinc/31/62/88/181316288.db2.gz LIWSFYQAGWXZKG-UHFFFAOYSA-N 0 0 219.668 2.144 10 0 BEAERN COC(OC)c1ccc(Br)cn1 ZINC000238354095 360932466 /nfs/dbraw/zinc/93/24/66/360932466.db2.gz NTYUVVUBDVQXOT-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN NC(=S)c1cc(NCC2CCCC2)ccn1 ZINC000061812501 181320141 /nfs/dbraw/zinc/32/01/41/181320141.db2.gz NPHQUKPLSVAKAA-UHFFFAOYSA-N 0 0 235.356 2.318 10 0 BEAERN COc1cc(N)cc(OC(F)(F)F)c1 ZINC000238376453 360980370 /nfs/dbraw/zinc/98/03/70/360980370.db2.gz WNXRSXDGYMBXSX-UHFFFAOYSA-N 0 0 207.151 2.176 10 0 BEAERN Cc1c(N)cccc1C[S@@](=O)C(C)C ZINC000040971948 360983030 /nfs/dbraw/zinc/98/30/30/360983030.db2.gz DCAAJXIYROLVGM-AWEZNQCLSA-N 0 0 211.330 2.234 10 0 BEAERN Cc1ccc(C)c2c1C(=O)C[C@H](C)[S@]2=O ZINC000040973028 360984275 /nfs/dbraw/zinc/98/42/75/360984275.db2.gz SQYIVTHAGYDINL-VFZGTOFNSA-N 0 0 222.309 2.386 10 0 BEAERN Cc1cccc2c1[S@@](=O)[C@H](C)CC2=O ZINC000040973379 360984345 /nfs/dbraw/zinc/98/43/45/360984345.db2.gz IIRGZLJESHIRMI-XLKFXECMSA-N 0 0 208.282 2.078 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)C[C@@H](C)[S@]2=O ZINC000040973054 360985501 /nfs/dbraw/zinc/98/55/01/360985501.db2.gz FTHZPZMWWXZDTD-PSLIRLAXSA-N 0 0 222.309 2.386 10 0 BEAERN NC(=S)c1ccc(F)cc1C(F)(F)F ZINC000083352361 181321033 /nfs/dbraw/zinc/32/10/33/181321033.db2.gz YJDQCXKVRGBMNB-UHFFFAOYSA-N 0 0 223.194 2.479 10 0 BEAERN NC(=S)c1nc2cc(Cl)ccc2o1 ZINC000075851994 181322043 /nfs/dbraw/zinc/32/20/43/181322043.db2.gz FOBIVUWXMXTVIV-UHFFFAOYSA-N 0 0 212.661 2.115 10 0 BEAERN NC(=S)c1coc(-c2cccs2)n1 ZINC000019723112 181322079 /nfs/dbraw/zinc/32/20/79/181322079.db2.gz MFAJOANSTMUBBJ-UHFFFAOYSA-N 0 0 210.283 2.037 10 0 BEAERN CC(=O)c1sc(-c2ncccn2)nc1C ZINC000040993756 361060432 /nfs/dbraw/zinc/06/04/32/361060432.db2.gz GORPTKMBENFUCH-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN Nc1c(Cl)nccc1OC(F)(F)F ZINC000238562147 361153529 /nfs/dbraw/zinc/15/35/29/361153529.db2.gz KSCZFCFZBIPFPF-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Nc1cnc(Cl)cc1OC(F)(F)F ZINC000238589371 361158253 /nfs/dbraw/zinc/15/82/53/361158253.db2.gz VCTRUSOMUURTTF-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Nc1ccc(Sc2cccnc2)cn1 ZINC000238588884 361158797 /nfs/dbraw/zinc/15/87/97/361158797.db2.gz DVLVOOMWACWLCQ-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN NNc1cccc(Br)c1Cl ZINC000238581703 361160395 /nfs/dbraw/zinc/16/03/95/361160395.db2.gz QWVUWLRUWYYRQJ-UHFFFAOYSA-N 0 0 221.485 2.388 10 0 BEAERN Cc1sc(C(=O)OC(F)F)cc1N ZINC000041048122 361188480 /nfs/dbraw/zinc/18/84/80/361188480.db2.gz KBXRTUKHVOFXSZ-UHFFFAOYSA-N 0 0 207.201 2.018 10 0 BEAERN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000101276983 200958819 /nfs/dbraw/zinc/95/88/19/200958819.db2.gz VYTBNPDBBXETGQ-KGYLQXTDSA-N 0 0 241.290 2.388 10 0 BEAERN COc1ccnnc1NCc1ccccc1 ZINC000306626637 361292690 /nfs/dbraw/zinc/29/26/90/361292690.db2.gz IIGNBSNJGZQNBL-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN Nc1cc(Cl)cnc1Cc1nccs1 ZINC000306623548 361258060 /nfs/dbraw/zinc/25/80/60/361258060.db2.gz XAYIVSAFNZSQEA-UHFFFAOYSA-N 0 0 225.704 2.365 10 0 BEAERN CC(C)CCN(C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000079620102 370681217 /nfs/dbraw/zinc/68/12/17/370681217.db2.gz ASRNNPQAGFCOQF-VXGBXAGGSA-N 0 0 242.363 2.241 10 0 BEAERN O=C1NCC[C@H]1Cc1csc(Cl)c1 ZINC000306633106 361364894 /nfs/dbraw/zinc/36/48/94/361364894.db2.gz QETZGRVBDYNSFH-ZETCQYMHSA-N 0 0 215.705 2.080 10 0 BEAERN COc1ccc(Cl)c2nc(N)ccc12 ZINC000070055311 361387662 /nfs/dbraw/zinc/38/76/62/361387662.db2.gz CQMFFUQTYZNQGU-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN CCOC(=O)c1ncccc1OC(F)(F)F ZINC000381397834 361390319 /nfs/dbraw/zinc/39/03/19/361390319.db2.gz PHEZPHGHPQJPGJ-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN Cc1ccc(S[C@@H]2CCOC2)c(N)c1 ZINC000070072236 361402590 /nfs/dbraw/zinc/40/25/90/361402590.db2.gz PQSNYXUDGIMYQH-SECBINFHSA-N 0 0 209.314 2.458 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)c2cnccn2)C1 ZINC000070559174 361536607 /nfs/dbraw/zinc/53/66/07/361536607.db2.gz KVARFAOUHDDGNL-UWVGGRQHSA-N 0 0 204.273 2.486 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)c2ncccn2)C1 ZINC000070566281 361561229 /nfs/dbraw/zinc/56/12/29/361561229.db2.gz VWKCLBAUHCLRJI-UWVGGRQHSA-N 0 0 204.273 2.486 10 0 BEAERN Fc1ccccc1Cc1nc(Cl)n[nH]1 ZINC000070584145 361573566 /nfs/dbraw/zinc/57/35/66/361573566.db2.gz LOCNERFYPKCNJX-UHFFFAOYSA-N 0 0 211.627 2.188 10 0 BEAERN Clc1ccc(SC[C@@H]2CO2)nc1 ZINC000070615034 361629522 /nfs/dbraw/zinc/62/95/22/361629522.db2.gz UBHUEZOITMKRKC-ZETCQYMHSA-N 0 0 201.678 2.226 10 0 BEAERN C[C@H]1C[C@H]1c1ccc(CNCc2cn[nH]c2)o1 ZINC000038005675 361635377 /nfs/dbraw/zinc/63/53/77/361635377.db2.gz AKZAVPUAOWRSOF-JOYOIKCWSA-N 0 0 231.299 2.416 10 0 BEAERN C[C@@H](Nc1cnccn1)c1nccs1 ZINC000070621399 361649657 /nfs/dbraw/zinc/64/96/57/361649657.db2.gz DEHDFPLUSGBEIQ-SSDOTTSWSA-N 0 0 206.274 2.106 10 0 BEAERN CCn1nc(C)cc1-c1ncc(N)cc1C ZINC000629744495 361679630 /nfs/dbraw/zinc/67/96/30/361679630.db2.gz NQTIUYINXFEWOS-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN Cc1cc(F)c(C(=O)N[C@@H]2C[C@H]2C)cc1F ZINC000133876041 491160923 /nfs/dbraw/zinc/16/09/23/491160923.db2.gz DJOWRKHHBGMBBQ-RDDDGLTNSA-N 0 0 225.238 2.411 10 0 BEAERN COC(=O)[C@@]1(Cl)OC12CCC(C)(C)CC2 ZINC000234579640 541311517 /nfs/dbraw/zinc/31/15/17/541311517.db2.gz HCSDOENLECNVRA-LLVKDONJSA-N 0 0 232.707 2.464 10 0 BEAERN COc1cc(-c2cncc(C=O)c2)sn1 ZINC000306354962 541313315 /nfs/dbraw/zinc/31/33/15/541313315.db2.gz HYQIUTKHRBVUEJ-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN CC(C)SCCn1cc(Cl)c(N)n1 ZINC000308192361 541320449 /nfs/dbraw/zinc/32/04/49/541320449.db2.gz ORLIQKQJKQBHDS-UHFFFAOYSA-N 0 0 219.741 2.260 10 0 BEAERN CCO[C@@H](C)C(=O)N[C@@H](CC)c1nccs1 ZINC000130677112 364023823 /nfs/dbraw/zinc/02/38/23/364023823.db2.gz CUNHMCMSDJPSDZ-IUCAKERBSA-N 0 0 242.344 2.135 10 0 BEAERN COC(=O)CCCCC(=O)OC(C)(C)C ZINC000116083755 370730685 /nfs/dbraw/zinc/73/06/85/370730685.db2.gz VCMUNYJBOXMXEA-UHFFFAOYSA-N 0 0 216.277 2.062 10 0 BEAERN CCC[C@@H]1CC(=O)CC[C@@H]1C(=O)OCC ZINC000725271542 541340003 /nfs/dbraw/zinc/34/00/03/541340003.db2.gz PCBAIAZSFBFHCJ-KOLCDFICSA-N 0 0 212.289 2.335 10 0 BEAERN CCC1CCC(NC(=O)[C@@H]2CCCOC2)CC1 ZINC000170791039 364215865 /nfs/dbraw/zinc/21/58/65/364215865.db2.gz AOBBVRIPRYQNII-OTTFEQOBSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)C[C@H](OCC)c1ccc(O)cc1 ZINC000116390153 370766967 /nfs/dbraw/zinc/76/69/67/370766967.db2.gz SZJFHPIZZQDJIG-LBPRGKRZSA-N 0 0 238.283 2.423 10 0 BEAERN CCOC(=O)C[C@@H](OCC)c1ccc(O)cc1 ZINC000116390156 370767524 /nfs/dbraw/zinc/76/75/24/370767524.db2.gz SZJFHPIZZQDJIG-GFCCVEGCSA-N 0 0 238.283 2.423 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1N(C)C ZINC000170824017 364376410 /nfs/dbraw/zinc/37/64/10/364376410.db2.gz SEEQJIGOVHYDHP-KOLCDFICSA-N 0 0 233.315 2.283 10 0 BEAERN CCc1nc(CNc2nnc(C)s2)cs1 ZINC000134436281 364402305 /nfs/dbraw/zinc/40/23/05/364402305.db2.gz DJZGIMCPCFONRL-UHFFFAOYSA-N 0 0 240.357 2.478 10 0 BEAERN CC(C)c1nnc(NCc2ccoc2)o1 ZINC000134439290 364402443 /nfs/dbraw/zinc/40/24/43/364402443.db2.gz JKSIDFVQEPFXFD-UHFFFAOYSA-N 0 0 207.233 2.398 10 0 BEAERN Cc1cnn(CC(=O)c2ccc(C)s2)c1 ZINC000037677681 364487249 /nfs/dbraw/zinc/48/72/49/364487249.db2.gz BEDYDQQDEGGNOY-UHFFFAOYSA-N 0 0 220.297 2.444 10 0 BEAERN Nc1ccc(S[C@@H]2CCC[C@H]2O)cc1 ZINC000037690559 364530353 /nfs/dbraw/zinc/53/03/53/364530353.db2.gz IQYYEWDELVWALI-GHMZBOCLSA-N 0 0 209.314 2.274 10 0 BEAERN C[C@@H]1CN(C(=O)NCC(C)(C)C)CCS1 ZINC000170878427 364559868 /nfs/dbraw/zinc/55/98/68/364559868.db2.gz BRNFNWANGFSCIG-SECBINFHSA-N 0 0 230.377 2.179 10 0 BEAERN COC(=O)c1cc(N)c(OC)c(C(F)(F)F)c1 ZINC000217631237 364513759 /nfs/dbraw/zinc/51/37/59/364513759.db2.gz TUXFESBJIXPMAM-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Clc1cnc(NCC[C@@H]2CCCO2)nc1 ZINC000093536694 541373326 /nfs/dbraw/zinc/37/33/26/541373326.db2.gz IPOFZQUEVYVHOZ-VIFPVBQESA-N 0 0 227.695 2.111 10 0 BEAERN C1C[C@@H]2CNc3c4c(nn3[C@@H]2C1)NCCC4 ZINC000232483167 541394390 /nfs/dbraw/zinc/39/43/90/541394390.db2.gz UIIZEGGGSLOAMY-PSASIEDQSA-N 0 0 218.304 2.008 10 0 BEAERN CC(C)CCC1N=NC(=S)N1CC(F)F ZINC000685950145 541396587 /nfs/dbraw/zinc/39/65/87/541396587.db2.gz OTHPHDRWYVENFY-UHFFFAOYSA-N 0 0 235.303 2.421 10 0 BEAERN COC(=O)c1ccc(C=O)c(C(F)(F)F)c1 ZINC000390645111 541411656 /nfs/dbraw/zinc/41/16/56/541411656.db2.gz MBIOALSXEKJKOB-UHFFFAOYSA-N 0 0 232.157 2.305 10 0 BEAERN CCN1CCNc2ccc(OC(C)C)nc21 ZINC000669380628 541437022 /nfs/dbraw/zinc/43/70/22/541437022.db2.gz STJLGAXUMPGVOP-UHFFFAOYSA-N 0 0 221.304 2.121 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]1(C)Cc1cccs1 ZINC000669383953 541437763 /nfs/dbraw/zinc/43/77/63/541437763.db2.gz YSRNYZNGAGWHEQ-GHMZBOCLSA-N 0 0 226.297 2.011 10 0 BEAERN COC[C@H](C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000171447995 365200021 /nfs/dbraw/zinc/20/00/21/365200021.db2.gz HWVKXYMPUOBKSE-WDEREUQCSA-N 0 0 227.348 2.304 10 0 BEAERN Cc1cccc(NCc2nnnn2C(C)C)c1F ZINC000182322810 366885791 /nfs/dbraw/zinc/88/57/91/366885791.db2.gz IVTAQADGDIBPQG-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN CC(C)n1ccnc1CN1[C@@H](C)COC[C@@H]1C ZINC000172668908 365368227 /nfs/dbraw/zinc/36/82/27/365368227.db2.gz OZWOMXBDGOFGLZ-RYUDHWBXSA-N 0 0 237.347 2.073 10 0 BEAERN C[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)[C@@H]1C ZINC000172861575 365384655 /nfs/dbraw/zinc/38/46/55/365384655.db2.gz UWEOXUTZSBYBCX-GHMZBOCLSA-N 0 0 248.374 2.313 10 0 BEAERN C[C@@H]1CC[C@@H](C)c2c1c[nH+]c(N)c2C(=O)[O-] ZINC000675063346 541464714 /nfs/dbraw/zinc/46/47/14/541464714.db2.gz COFIZMGCAOSIEO-RNFRBKRXSA-N 0 0 220.272 2.363 10 0 BEAERN CC1CCC([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC1 ZINC000257757687 541484650 /nfs/dbraw/zinc/48/46/50/541484650.db2.gz ARQJSXXEMYSSBD-MMVSWEMESA-N 0 0 225.332 2.123 10 0 BEAERN COC(=O)[C@@H]1Cc2c(ccc(Cl)c2Cl)O1 ZINC000685952073 541497553 /nfs/dbraw/zinc/49/75/53/541497553.db2.gz SKUVZFJLBZCMCH-QMMMGPOBSA-N 0 0 247.077 2.470 10 0 BEAERN CCC[C@@H](c1ccccc1)S(=O)(=O)NC ZINC000203786167 541503629 /nfs/dbraw/zinc/50/36/29/541503629.db2.gz YGKPYQNBBYNMDF-NSHDSACASA-N 0 0 227.329 2.077 10 0 BEAERN CCc1nc2n(n1)[C@H](C(C)(C)C)CCN2 ZINC000234230960 541512360 /nfs/dbraw/zinc/51/23/60/541512360.db2.gz KZHKPAKPYHICND-QMMMGPOBSA-N 0 0 208.309 2.243 10 0 BEAERN CCc1nc2n(n1)[C@@H](c1ccsc1)CCN2 ZINC000234207449 541512407 /nfs/dbraw/zinc/51/24/07/541512407.db2.gz APRMDXQLMHHGMH-SECBINFHSA-N 0 0 234.328 2.307 10 0 BEAERN CC(C)c1nc2n(n1)[C@@H](C(F)F)CCN2 ZINC000232806223 541507959 /nfs/dbraw/zinc/50/79/59/541507959.db2.gz OGMDEJSYPHQDKY-ZCFIWIBFSA-N 0 0 216.235 2.023 10 0 BEAERN CC[C@@H]1CCC[C@]12O[C@@]2(Cl)C(=O)OC ZINC000233921198 541510173 /nfs/dbraw/zinc/51/01/73/541510173.db2.gz KKINZNNOIYLGJZ-JEZHCXPESA-N 0 0 218.680 2.074 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]1(C)CC(C)(C)C ZINC000384733087 541515836 /nfs/dbraw/zinc/51/58/36/541515836.db2.gz KCABCIFUCITBFM-KWQFWETISA-N 0 0 200.278 2.143 10 0 BEAERN C[C@@H]1C[C@H](C(=O)NCC(C)(C)O)CC(C)(C)C1 ZINC000184053495 367062210 /nfs/dbraw/zinc/06/22/10/367062210.db2.gz RLKLATHKXOTILN-MNOVXSKESA-N 0 0 241.375 2.336 10 0 BEAERN CCSc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000381977577 367475684 /nfs/dbraw/zinc/47/56/84/367475684.db2.gz DLBLLCMMDHJJQO-WCQYABFASA-N 0 0 237.368 2.269 10 0 BEAERN CC(F)(F)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000382278323 367502950 /nfs/dbraw/zinc/50/29/50/367502950.db2.gz IJTDAFAOPXYDJI-DJLDLDEBSA-N 0 0 219.275 2.045 10 0 BEAERN CC(F)(F)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000382278325 367503288 /nfs/dbraw/zinc/50/32/88/367503288.db2.gz IJTDAFAOPXYDJI-HLTSFMKQSA-N 0 0 219.275 2.045 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1c1ncnc2sccc21 ZINC000385092340 367788280 /nfs/dbraw/zinc/78/82/80/367788280.db2.gz YFHADMWJOOISQE-SCZZXKLOSA-N 0 0 249.339 2.041 10 0 BEAERN CC[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1CCC[C@H]1C ZINC000385782826 367864703 /nfs/dbraw/zinc/86/47/03/367864703.db2.gz ZYRKDOVORKXBEW-MROQNXINSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1C[C@H]([C@@H](NN)C(F)F)C[C@@H](C)C1 ZINC000252990529 368177883 /nfs/dbraw/zinc/17/78/83/368177883.db2.gz BBSQZEFGMOYCDO-RYPBNFRJSA-N 0 0 206.280 2.156 10 0 BEAERN O=C1C=C(Nc2cccc(Cl)c2)CO1 ZINC000104765944 368315946 /nfs/dbraw/zinc/31/59/46/368315946.db2.gz XCEBXIPTSPAXAM-UHFFFAOYSA-N 0 0 209.632 2.193 10 0 BEAERN CN(CCCCO)c1nc2ccccc2o1 ZINC000038763385 368272704 /nfs/dbraw/zinc/27/27/04/368272704.db2.gz IYKRIGRBLBTBSL-UHFFFAOYSA-N 0 0 220.272 2.037 10 0 BEAERN CSC(=NC#N)Nc1ccnc(Cl)c1 ZINC000225058615 368367939 /nfs/dbraw/zinc/36/79/39/368367939.db2.gz VNMDRIGSHNHIEI-UHFFFAOYSA-N 0 0 226.692 2.156 10 0 BEAERN Cc1[nH]c(-c2c(F)cccc2F)cc1C(N)=O ZINC000226096923 368367970 /nfs/dbraw/zinc/36/79/70/368367970.db2.gz ISPJLAIXGPGMRH-UHFFFAOYSA-N 0 0 236.221 2.367 10 0 BEAERN CSCCN(C#N)Cc1ccc(Cl)nc1 ZINC000225050949 368368193 /nfs/dbraw/zinc/36/81/93/368368193.db2.gz LBJKAOXFMFPXIK-UHFFFAOYSA-N 0 0 241.747 2.381 10 0 BEAERN CCOc1ccc(OC)c2c1CCC(=O)C2 ZINC000038587648 368327669 /nfs/dbraw/zinc/32/76/69/368327669.db2.gz QZFWLGSOGFCCIO-UHFFFAOYSA-N 0 0 220.268 2.152 10 0 BEAERN N#Cc1ccc(NN=Cc2ccncc2)cc1 ZINC000043976011 368332268 /nfs/dbraw/zinc/33/22/68/368332268.db2.gz XALOPSHZABKQOR-MHWRWJLKSA-N 0 0 222.251 2.399 10 0 BEAERN Cc1nn(C)c(C)c1-c1cccc(CO)c1 ZINC000059871249 368335614 /nfs/dbraw/zinc/33/56/14/368335614.db2.gz NFJZRUOQXOPOEC-UHFFFAOYSA-N 0 0 216.284 2.196 10 0 BEAERN CCCC[C@H](CC)COC(=O)[C@H]1CO1 ZINC000060121545 368336114 /nfs/dbraw/zinc/33/61/14/368336114.db2.gz CRHQOSXUXQSUQY-VHSXEESVSA-N 0 0 200.278 2.145 10 0 BEAERN CCOC(=O)c1noc2cccc(OC)c21 ZINC000096321025 368338320 /nfs/dbraw/zinc/33/83/20/368338320.db2.gz IPZAVHVALXVCMH-UHFFFAOYSA-N 0 0 221.212 2.013 10 0 BEAERN O=C(OCc1ccccc1)[C@H]1CCCC(=O)C1 ZINC000115977886 368343232 /nfs/dbraw/zinc/34/32/32/368343232.db2.gz CHIOEOLAODNQQH-LBPRGKRZSA-N 0 0 232.279 2.489 10 0 BEAERN CO[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000141112303 368347889 /nfs/dbraw/zinc/34/78/89/368347889.db2.gz UGOMDKUOPGHQJY-ZDUSSCGKSA-N 0 0 249.310 2.434 10 0 BEAERN Clc1nccc2nc(-c3ccccc3)nn21 ZINC000142524352 368348082 /nfs/dbraw/zinc/34/80/82/368348082.db2.gz BHPLSQIMGHBDST-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN Clc1cc2c(cn1)ncn2[C@@H]1CCOC1 ZINC000222108247 368362886 /nfs/dbraw/zinc/36/28/86/368362886.db2.gz HSGALCOEVJEBNX-SSDOTTSWSA-N 0 0 223.663 2.046 10 0 BEAERN CNc1cc(-c2cccc(C)c2)nc(N)n1 ZINC000223278100 368364312 /nfs/dbraw/zinc/36/43/12/368364312.db2.gz IBCOISJCNKPGJD-UHFFFAOYSA-N 0 0 214.272 2.076 10 0 BEAERN O=c1cc(OCc2ccc(Cl)cc2)nc[nH]1 ZINC000223389014 368365138 /nfs/dbraw/zinc/36/51/38/368365138.db2.gz YCOVMWVLSUBVQL-UHFFFAOYSA-N 0 0 236.658 2.002 10 0 BEAERN COC(=O)n1ccc2ccc(Cl)nc21 ZINC000034427786 368374903 /nfs/dbraw/zinc/37/49/03/368374903.db2.gz YCPHTTJYZGPHIS-UHFFFAOYSA-N 0 0 210.620 2.304 10 0 BEAERN C[S@](=N)(=O)c1ccccc1Br ZINC000034428704 368375082 /nfs/dbraw/zinc/37/50/82/368375082.db2.gz AQOLYXWOVMNOER-NSHDSACASA-N 0 0 234.118 2.485 10 0 BEAERN C[C@]1([C@@H](O)CC2CC2)CCCCC12OCCO2 ZINC000048523856 368377515 /nfs/dbraw/zinc/37/75/15/368377515.db2.gz TXBAEXBNXIEOGD-QWHCGFSZSA-N 0 0 240.343 2.471 10 0 BEAERN O=C1c2cc([N+](=O)[O-])ccc2CC[C@@H]1F ZINC000166037115 368394046 /nfs/dbraw/zinc/39/40/46/368394046.db2.gz BIAFEWDBCWEPKE-VIFPVBQESA-N 0 0 209.176 2.062 10 0 BEAERN CSCC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000045417731 368426526 /nfs/dbraw/zinc/42/65/26/368426526.db2.gz NWTPLNNGTGDZCP-BDAKNGLRSA-N 0 0 201.335 2.044 10 0 BEAERN Cc1nccn1Cc1nc(C)c2ccccc2n1 ZINC000107896185 368528629 /nfs/dbraw/zinc/52/86/29/368528629.db2.gz YPYLEIWBGSMYMR-UHFFFAOYSA-N 0 0 238.294 2.491 10 0 BEAERN CSCC(=O)NCCSc1ccccc1 ZINC000061083114 368559920 /nfs/dbraw/zinc/55/99/20/368559920.db2.gz JDTMFWJDLNMAPY-UHFFFAOYSA-N 0 0 241.381 2.258 10 0 BEAERN CCc1ccc(C(=O)CCC(=O)N2CCC2)cc1 ZINC000060633502 368550610 /nfs/dbraw/zinc/55/06/10/368550610.db2.gz VFRVXRUVTYSSAA-UHFFFAOYSA-N 0 0 245.322 2.444 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000457002811 203000423 /nfs/dbraw/zinc/00/04/23/203000423.db2.gz NNECXIQZHKOZIP-IJLUTSLNSA-N 0 0 241.375 2.288 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCO2 ZINC000001685933 368680892 /nfs/dbraw/zinc/68/08/92/368680892.db2.gz DPOZBCNKLCURCP-NXEZZACHSA-N 0 0 234.251 2.082 10 0 BEAERN c1cnc(N2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000067448018 368688721 /nfs/dbraw/zinc/68/87/21/368688721.db2.gz CMMQXRKSPQXFTB-QWRGUYRKSA-N 0 0 203.289 2.246 10 0 BEAERN COc1ccc2c(c1)[nH]c1nc(=S)[nH]nc12 ZINC000084035503 368845909 /nfs/dbraw/zinc/84/59/09/368845909.db2.gz XPZMIDWMPRFCQQ-UHFFFAOYSA-N 0 0 232.268 2.177 10 0 BEAERN FC(F)(F)[C@H]1CN1Cc1ccccc1 ZINC000003165687 368865986 /nfs/dbraw/zinc/86/59/86/368865986.db2.gz FXTYNGNFIMWUGV-UCWRFOARSA-N 0 0 201.191 2.433 10 0 BEAERN Cc1cc(CNC(=O)N[C@H](C)C(C)(C)C)on1 ZINC000112448054 368872559 /nfs/dbraw/zinc/87/25/59/368872559.db2.gz HXQYWURUJUCCHJ-SECBINFHSA-N 0 0 239.319 2.217 10 0 BEAERN O=C(COCC1CC1)NC/C=C/c1ccccc1 ZINC000112585839 368873302 /nfs/dbraw/zinc/87/33/02/368873302.db2.gz JLSSHAXJPVEZFL-QPJJXVBHSA-N 0 0 245.322 2.243 10 0 BEAERN CCCC(=O)N[C@@H]1CCc2cccc(OC)c2C1 ZINC000003792124 368882673 /nfs/dbraw/zinc/88/26/73/368882673.db2.gz IVNFMRONNXTTHN-GFCCVEGCSA-N 0 0 247.338 2.469 10 0 BEAERN Cc1cccc(C)c1[C@](C)(O)c1ncc[nH]1 ZINC000114416096 368938295 /nfs/dbraw/zinc/93/82/95/368938295.db2.gz FZTAHGKGKHILAT-ZDUSSCGKSA-N 0 0 216.284 2.282 10 0 BEAERN CCCC[C@@H]1OC(=O)[C@H](CCCC)OC1=O ZINC000114420399 368938448 /nfs/dbraw/zinc/93/84/48/368938448.db2.gz YZOWKVJDLDVRST-UWVGGRQHSA-N 0 0 228.288 2.204 10 0 BEAERN COC(=O)c1ccc(OCCC(F)(F)F)nc1 ZINC000114609348 368945011 /nfs/dbraw/zinc/94/50/11/368945011.db2.gz FABMGQRHYDWLLC-UHFFFAOYSA-N 0 0 249.188 2.199 10 0 BEAERN CC(C)(C)OC(=O)c1ccc2c(ccc[n+]2[O-])c1 ZINC000114827253 368953625 /nfs/dbraw/zinc/95/36/25/368953625.db2.gz GGROTMYHRHCMHB-UHFFFAOYSA-N 0 0 245.278 2.429 10 0 BEAERN COC(=O)/C(=C\c1ccccc1)C(=O)C(C)C ZINC000114838333 368954965 /nfs/dbraw/zinc/95/49/65/368954965.db2.gz YKGLXIQPXNGEAY-XFXZXTDPSA-N 0 0 232.279 2.468 10 0 BEAERN O=C(Nc1ccc(CCO)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250266645 368956990 /nfs/dbraw/zinc/95/69/90/368956990.db2.gz XOSVAZKLHICJLS-CLLJXQQHSA-N 0 0 245.322 2.206 10 0 BEAERN CC(C)[N@@H+](CC(=O)[O-])C[C@@H]1Cc2ccccc21 ZINC000090978058 369002761 /nfs/dbraw/zinc/00/27/61/369002761.db2.gz LXRNAHDIJJDTRZ-LBPRGKRZSA-N 0 0 233.311 2.121 10 0 BEAERN COC(=O)c1[n-]c2ccsc2c1C[NH+](C)C ZINC000115645987 369003870 /nfs/dbraw/zinc/00/38/70/369003870.db2.gz RJZIYUWKRUYUFL-UHFFFAOYSA-N 0 0 238.312 2.078 10 0 BEAERN O[C@H]1CCCCC[C@@H]1Nc1nccs1 ZINC000130797844 369015208 /nfs/dbraw/zinc/01/52/08/369015208.db2.gz ICKZGVFJORNFHI-IUCAKERBSA-N 0 0 212.318 2.249 10 0 BEAERN O=C(NNc1ccccc1)c1ccc(O)cc1 ZINC000005484248 369026074 /nfs/dbraw/zinc/02/60/74/369026074.db2.gz XVKFIRVXTZLMEO-UHFFFAOYSA-N 0 0 228.251 2.149 10 0 BEAERN CSCc1nc(C)c([C@@H](C)O)s1 ZINC000054497087 369074060 /nfs/dbraw/zinc/07/40/60/369074060.db2.gz XXEIDEIIRYREJC-ZCFIWIBFSA-N 0 0 203.332 2.368 10 0 BEAERN C[C@@H](CO)SCCC(=O)c1ccccc1 ZINC000130804817 369086043 /nfs/dbraw/zinc/08/60/43/369086043.db2.gz HASZJTYCPUELBP-JTQLQIEISA-N 0 0 224.325 2.373 10 0 BEAERN C[C@H](O)c1cnc(N2CCCCC2)s1 ZINC000054910482 369109747 /nfs/dbraw/zinc/10/97/47/369109747.db2.gz JOMGBWUMNIIMCA-QMMMGPOBSA-N 0 0 212.318 2.187 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ccon1 ZINC000616691768 369114436 /nfs/dbraw/zinc/11/44/36/369114436.db2.gz NJQSVJJYSRLWOC-GFCCVEGCSA-N 0 0 215.256 2.278 10 0 BEAERN CSC[C@@H](O)c1ccc(F)cc1F ZINC000055238770 369156722 /nfs/dbraw/zinc/15/67/22/369156722.db2.gz VAGYILGXSQGMHM-SECBINFHSA-N 0 0 204.241 2.361 10 0 BEAERN CSC[C@H](O)c1ccc(F)c(F)c1 ZINC000055237295 369157044 /nfs/dbraw/zinc/15/70/44/369157044.db2.gz MXUYZRGJGUALRM-VIFPVBQESA-N 0 0 204.241 2.361 10 0 BEAERN C(c1noc2c1CCCC2)N1CCSCC1 ZINC000108854369 369412988 /nfs/dbraw/zinc/41/29/88/369412988.db2.gz CIVVUOGIZUPGAZ-UHFFFAOYSA-N 0 0 238.356 2.102 10 0 BEAERN C[C@H]1C[C@@H](c2nnc(Br)s2)CO1 ZINC000161680118 370960246 /nfs/dbraw/zinc/96/02/46/370960246.db2.gz UGLHOUBUIVWXNA-CRCLSJGQSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@@H]1C[C@@H](c2nnc(Br)s2)CO1 ZINC000161679986 370961006 /nfs/dbraw/zinc/96/10/06/370961006.db2.gz UGLHOUBUIVWXNA-RFZPGFLSSA-N 0 0 249.133 2.193 10 0 BEAERN COC(=O)CCCCc1cccc(N)c1 ZINC000203359764 369460326 /nfs/dbraw/zinc/46/03/26/369460326.db2.gz KXDRWFUWUCXDGZ-UHFFFAOYSA-N 0 0 207.273 2.155 10 0 BEAERN CC[C@H](CSC)NC(=O)N[C@H](C)C(C)C ZINC000091597153 369467184 /nfs/dbraw/zinc/46/71/84/369467184.db2.gz HNPRDUKQUPXGSV-NXEZZACHSA-N 0 0 232.393 2.472 10 0 BEAERN CC1(C)C[C@H](n2cccc2C=O)CCO1 ZINC000215408362 370958347 /nfs/dbraw/zinc/95/83/47/370958347.db2.gz GHXYUDKUGQWIGQ-SNVBAGLBSA-N 0 0 207.273 2.431 10 0 BEAERN CCOC(=O)[C@H](C)NC1(C2CCC2)CCC1 ZINC000459756110 203358842 /nfs/dbraw/zinc/35/88/42/203358842.db2.gz FSWKYDWZYKXTSP-JTQLQIEISA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(C)C ZINC000619652720 369507978 /nfs/dbraw/zinc/50/79/78/369507978.db2.gz NYFKHDBXFHTMGE-NSHDSACASA-N 0 0 249.358 2.453 10 0 BEAERN Clc1nnc2c(Br)c[nH]cc1-2 ZINC000514253586 369711840 /nfs/dbraw/zinc/71/18/40/369711840.db2.gz BJALLSSVCDECDE-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN C[C@H](Nc1nccc2nccnc21)[C@@H]1CCCO1 ZINC000621251509 370185573 /nfs/dbraw/zinc/18/55/73/370185573.db2.gz XJRBOPPZWXIYAD-ONGXEEELSA-N 0 0 244.298 2.004 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000075517682 370141612 /nfs/dbraw/zinc/14/16/12/370141612.db2.gz WRPYIWOLHYITHL-JOYOIKCWSA-N 0 0 233.286 2.382 10 0 BEAERN Cc1cnccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253186577 370158358 /nfs/dbraw/zinc/15/83/58/370158358.db2.gz KPSUPYLMTWBGMX-CLLJXQQHSA-N 0 0 230.311 2.052 10 0 BEAERN Cc1csc(C[C@@H](O)c2nccs2)n1 ZINC000161557558 370378943 /nfs/dbraw/zinc/37/89/43/370378943.db2.gz ZWWZEQIUUFIVKK-SSDOTTSWSA-N 0 0 226.326 2.184 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H]2CCC[C@H](O)C2)c1 ZINC000077102506 370394957 /nfs/dbraw/zinc/39/49/57/370394957.db2.gz NJKWUBVKNJHNKM-KBPBESRZSA-N 0 0 247.338 2.337 10 0 BEAERN CCOC(=O)C[C@H](OC)c1ccc(O)cc1 ZINC000113356550 370405748 /nfs/dbraw/zinc/40/57/48/370405748.db2.gz LKGOWIGLGONACY-NSHDSACASA-N 0 0 224.256 2.033 10 0 BEAERN CCC1(CC)N(O)[C@H](C)C(c2ccccc2)=[N+]1[O-] ZINC000225403332 370548693 /nfs/dbraw/zinc/54/86/93/370548693.db2.gz DJIXJQBTGCHBED-LLVKDONJSA-N 0 0 249.334 2.487 10 0 BEAERN C[C@H]1CCN[C@@H](c2nccs2)S1 ZINC000161613273 370604330 /nfs/dbraw/zinc/60/43/30/370604330.db2.gz KUFJETDHPUWQDK-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN Cn1ccc2ccc(Br)nc21 ZINC000114856747 370604431 /nfs/dbraw/zinc/60/44/31/370604431.db2.gz ZNPKGCWVCDXZOB-UHFFFAOYSA-N 0 0 211.062 2.336 10 0 BEAERN CC[C@H]1CS[C@@H](c2cncs2)N1 ZINC000161614819 370605475 /nfs/dbraw/zinc/60/54/75/370605475.db2.gz VQOAMOSKTXZFTK-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN CCOC(=O)c1cc2ccncc2s1 ZINC000114692824 370589157 /nfs/dbraw/zinc/58/91/57/370589157.db2.gz MWUNMDKVCFRJPU-UHFFFAOYSA-N 0 0 207.254 2.473 10 0 BEAERN CCn1c(C)cc(C(=O)CSCCO)c1C ZINC000010678701 370629612 /nfs/dbraw/zinc/62/96/12/370629612.db2.gz VRBHGSUROJYVCG-UHFFFAOYSA-N 0 0 241.356 2.033 10 0 BEAERN CCOC(=O)c1c(N)sc2c1[C@H](C)OC2 ZINC000118199581 370999140 /nfs/dbraw/zinc/99/91/40/370999140.db2.gz KLJKYVDLSMWVDE-YFKPBYRVSA-N 0 0 227.285 2.098 10 0 BEAERN CC(=O)N(C)c1ccccc1NC(=O)[C@H]1C[C@H]1C ZINC000118260535 371005267 /nfs/dbraw/zinc/00/52/67/371005267.db2.gz JRBNYCXONYIPDY-KOLCDFICSA-N 0 0 246.310 2.264 10 0 BEAERN CCCCN(CC)C(=O)[C@H]1CC[C@H](C)O1 ZINC000122389439 168795949 /nfs/dbraw/zinc/79/59/49/168795949.db2.gz OUIIRSNHKDXDIW-WDEREUQCSA-N 0 0 213.321 2.203 10 0 BEAERN NN=c1[nH]c2ccccc2nc1NC1CCCC1 ZINC000073665780 181519991 /nfs/dbraw/zinc/51/99/91/181519991.db2.gz AXERFUKVANLODF-UHFFFAOYSA-N 0 0 243.314 2.270 10 0 BEAERN CS[C@H](C)CC(=O)N1CCS[C@@H](C)C1 ZINC000163391879 326401487 /nfs/dbraw/zinc/40/14/87/326401487.db2.gz NABDHCNUKDLBEJ-BDAKNGLRSA-N 0 0 233.402 2.092 10 0 BEAERN Nc1cc2ncoc2c(Br)c1 ZINC000062525840 181677345 /nfs/dbraw/zinc/67/73/45/181677345.db2.gz RDYXCMQYIJYLEK-UHFFFAOYSA-N 0 0 213.034 2.173 10 0 BEAERN Nc1cc(C(=O)NC2CC2)cc(Cl)c1Cl ZINC000040292273 181677759 /nfs/dbraw/zinc/67/77/59/181677759.db2.gz RBYIDUUUYBHSBD-UHFFFAOYSA-N 0 0 245.109 2.468 10 0 BEAERN Nc1cc(CSCCO)ccc1Cl ZINC000036336006 181682217 /nfs/dbraw/zinc/68/22/17/181682217.db2.gz CUUICRQUBZAJNR-UHFFFAOYSA-N 0 0 217.721 2.148 10 0 BEAERN Nc1cc(Cl)c(F)cc1-n1cccn1 ZINC000082373049 181683052 /nfs/dbraw/zinc/68/30/52/181683052.db2.gz WTKSRCBIKQMVST-UHFFFAOYSA-N 0 0 211.627 2.247 10 0 BEAERN Nc1cc(Cn2ccc(=O)cc2)ccc1Cl ZINC000061627629 181685086 /nfs/dbraw/zinc/68/50/86/181685086.db2.gz VFFTWMYRKZJKQL-UHFFFAOYSA-N 0 0 234.686 2.132 10 0 BEAERN Nc1cc(F)cc(NC2(CO)CCCC2)c1 ZINC000053045335 181685650 /nfs/dbraw/zinc/68/56/50/181685650.db2.gz KOQMMPCBXVDWMN-UHFFFAOYSA-N 0 0 224.279 2.125 10 0 BEAERN Nc1cc(F)ccc1Sc1ncc[nH]1 ZINC000039424387 181688338 /nfs/dbraw/zinc/68/83/38/181688338.db2.gz KJCWYQGQWSTHJD-UHFFFAOYSA-N 0 0 209.249 2.282 10 0 BEAERN Nc1cc(NC(=O)c2ccoc2)c(F)cc1F ZINC000036738872 181689522 /nfs/dbraw/zinc/68/95/22/181689522.db2.gz CQFPZFGVVJGCTG-UHFFFAOYSA-N 0 0 238.193 2.392 10 0 BEAERN Nc1ccc(F)c(F)c1-n1cc(Cl)cn1 ZINC000053167909 181711103 /nfs/dbraw/zinc/71/11/03/181711103.db2.gz GAMOJZAPPZGTRZ-UHFFFAOYSA-N 0 0 229.617 2.386 10 0 BEAERN Nc1ccc(F)cc1N1CCC[C@@H]1CCCO ZINC000052760277 181711635 /nfs/dbraw/zinc/71/16/35/181711635.db2.gz HJLUNYOENTXNFX-LLVKDONJSA-N 0 0 238.306 2.149 10 0 BEAERN Nc1ccc(F)cc1NC[C@@H]1CCCOC1 ZINC000052122074 181711856 /nfs/dbraw/zinc/71/18/56/181711856.db2.gz TUWAOBWHCLJARJ-VIFPVBQESA-N 0 0 224.279 2.246 10 0 BEAERN Nc1ccc(F)cc1CN1CCCCCC1=O ZINC000035308583 181712044 /nfs/dbraw/zinc/71/20/44/181712044.db2.gz QZMOBKZBQFJOEY-UHFFFAOYSA-N 0 0 236.290 2.311 10 0 BEAERN Nc1ccc2c(c1)N(Cc1cccnc1)CC2 ZINC000019875087 181730242 /nfs/dbraw/zinc/73/02/42/181730242.db2.gz OBIFPFCOCDCDKA-UHFFFAOYSA-N 0 0 225.295 2.227 10 0 BEAERN Nc1cccc(CCC(=O)Nc2cccnc2)c1 ZINC000001746788 181742642 /nfs/dbraw/zinc/74/26/42/181742642.db2.gz VTVIRWZFUIVPKN-UHFFFAOYSA-N 0 0 241.294 2.235 10 0 BEAERN Nc1cccc(NCCc2cccnc2)c1 ZINC000037717594 181746469 /nfs/dbraw/zinc/74/64/69/181746469.db2.gz ZCSOSTHLDBJXIT-UHFFFAOYSA-N 0 0 213.284 2.318 10 0 BEAERN Nc1cccc(OCc2nc3ncccc3o2)c1 ZINC000082549959 181747118 /nfs/dbraw/zinc/74/71/18/181747118.db2.gz UJWSHKSPYBHTLF-UHFFFAOYSA-N 0 0 241.250 2.384 10 0 BEAERN Nc1ccc(S[C@H]2CCCC[C@H]2O)cn1 ZINC000037691881 181725520 /nfs/dbraw/zinc/72/55/20/181725520.db2.gz YGIOPVBKQPIKDE-ZJUUUORDSA-N 0 0 224.329 2.059 10 0 BEAERN Nc1cnc(C(F)(F)F)nc1NC1CCCC1 ZINC000026475127 181768356 /nfs/dbraw/zinc/76/83/56/181768356.db2.gz ODLWJEXMFRJLAP-UHFFFAOYSA-N 0 0 246.236 2.432 10 0 BEAERN Nc1ccccc1COCCc1ccccn1 ZINC000020519460 181754715 /nfs/dbraw/zinc/75/47/15/181754715.db2.gz UEIDJIPXQMGXNP-UHFFFAOYSA-N 0 0 228.295 2.423 10 0 BEAERN C[C@@H]1SCCS[C@@H]1[C@@H](O)C1CCC1 ZINC000225530309 371552866 /nfs/dbraw/zinc/55/28/66/371552866.db2.gz GTKLCBWHLFNASW-HGNGGELXSA-N 0 0 218.387 2.385 10 0 BEAERN O=C(Nc1ccnc(Cl)n1)C1CC=CC1 ZINC000161787161 371564241 /nfs/dbraw/zinc/56/42/41/371564241.db2.gz FKMSMEZZHXPGQE-UHFFFAOYSA-N 0 0 223.663 2.035 10 0 BEAERN Nc1nc(-c2ccc(C(F)(F)F)cn2)ns1 ZINC000067173745 181775534 /nfs/dbraw/zinc/77/55/34/181775534.db2.gz NFWNBXZPSSDFHO-UHFFFAOYSA-N 0 0 246.217 2.201 10 0 BEAERN COc1ccsc1C(=O)[C@H]1CO[C@H](C)C1 ZINC000161988123 371598209 /nfs/dbraw/zinc/59/82/09/371598209.db2.gz COEMHCYJFIZSDJ-HTQZYQBOSA-N 0 0 226.297 2.364 10 0 BEAERN CON[C@H]1CCOc2cc(Cl)ccc21 ZINC000131507637 371612589 /nfs/dbraw/zinc/61/25/89/371612589.db2.gz MJLCHVFWKWXVIG-VIFPVBQESA-N 0 0 213.664 2.315 10 0 BEAERN COc1cc(C)nc(N[C@H](C)C(C)C)n1 ZINC000162409439 371671618 /nfs/dbraw/zinc/67/16/18/371671618.db2.gz KNCZCYJIMINMEJ-SECBINFHSA-N 0 0 209.293 2.250 10 0 BEAERN Cc1cc(Br)c(O)cc1C=O ZINC000215752782 371625230 /nfs/dbraw/zinc/62/52/30/371625230.db2.gz CGIBZTLGZJTGRV-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN O=C(CC(F)(F)F)Nc1cncc(Cl)n1 ZINC000162215065 371631439 /nfs/dbraw/zinc/63/14/39/371631439.db2.gz GYMGFJFGGQXGHU-UHFFFAOYSA-N 0 0 239.584 2.021 10 0 BEAERN Nc1nc(Cl)nc2cc(F)cc(F)c12 ZINC000095930568 181784261 /nfs/dbraw/zinc/78/42/61/181784261.db2.gz GYNGYPVSUIOZHE-UHFFFAOYSA-N 0 0 215.590 2.144 10 0 BEAERN NCC(F)(F)c1ccc(Br)o1 ZINC000131906637 371709875 /nfs/dbraw/zinc/70/98/75/371709875.db2.gz WKUWYXSSGYEDOK-UHFFFAOYSA-N 0 0 226.020 2.093 10 0 BEAERN OCc1noc2cc(Br)ccc21 ZINC000216320357 371741960 /nfs/dbraw/zinc/74/19/60/371741960.db2.gz PVGYYHWSPXBCGE-UHFFFAOYSA-N 0 0 228.045 2.083 10 0 BEAERN Nc1cnc(NC[C@@H]2CCCS2)s1 ZINC000226748469 371735488 /nfs/dbraw/zinc/73/54/88/371735488.db2.gz ARRIADJDMDDGPH-LURJTMIESA-N 0 0 215.347 2.033 10 0 BEAERN Cc1ccncc1-c1nc(C=O)cs1 ZINC000162437577 371683521 /nfs/dbraw/zinc/68/35/21/371683521.db2.gz AZBDXJXTVRZFJE-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN C[C@@]1(c2ccc(Br)o2)CO1 ZINC000131855365 371698731 /nfs/dbraw/zinc/69/87/31/371698731.db2.gz HXZGQJUTTDLPDA-ZETCQYMHSA-N 0 0 203.035 2.288 10 0 BEAERN Nc1csc(-c2ccc(Cl)cn2)n1 ZINC000131863781 371700508 /nfs/dbraw/zinc/70/05/08/371700508.db2.gz LQLMFNMNPWTJBR-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1nc2c(s1)Cc1cc(F)ccc1-2 ZINC000036478418 181791436 /nfs/dbraw/zinc/79/14/36/181791436.db2.gz LWIFOUNRRPKTAQ-UHFFFAOYSA-N 0 0 206.245 2.436 10 0 BEAERN Nc1cnc(N[C@@H]2CCCSC2)s1 ZINC000226752703 371738535 /nfs/dbraw/zinc/73/85/35/371738535.db2.gz VBYUCBVMJMFHEB-ZCFIWIBFSA-N 0 0 215.347 2.033 10 0 BEAERN Nc1ncnc(Nc2ccc3ccccc3c2)n1 ZINC000013488366 181808396 /nfs/dbraw/zinc/80/83/96/181808396.db2.gz OLZOYINAZDQNBY-UHFFFAOYSA-N 0 0 237.266 2.351 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1cnccc1Cl ZINC000227105730 371785221 /nfs/dbraw/zinc/78/52/21/371785221.db2.gz XAZOLCQSFANXMJ-RQJHMYQMSA-N 0 0 210.664 2.330 10 0 BEAERN C[C@@H](CO)SCC(=O)c1ccccc1F ZINC000162669312 371742857 /nfs/dbraw/zinc/74/28/57/371742857.db2.gz YCJXVENXLPKRMH-QMMMGPOBSA-N 0 0 228.288 2.122 10 0 BEAERN Cc1cccn(COCc2ccccc2)c1=O ZINC000230088623 371829788 /nfs/dbraw/zinc/82/97/88/371829788.db2.gz XTVZLXBEZXPRRY-UHFFFAOYSA-N 0 0 229.279 2.331 10 0 BEAERN CSC[C@@H](O)c1cccc2c1OCC2 ZINC000132470262 371830368 /nfs/dbraw/zinc/83/03/68/371830368.db2.gz YNLNQJIEIHAWLY-SNVBAGLBSA-N 0 0 210.298 2.018 10 0 BEAERN C[C@H]1CCN(C(=O)C(C)(C)Br)C1 ZINC000162737960 371833631 /nfs/dbraw/zinc/83/36/31/371833631.db2.gz BUQAAVHZOLRREV-ZETCQYMHSA-N 0 0 234.137 2.028 10 0 BEAERN COc1ccc(O)c(OC)c1Br ZINC000216747295 371799748 /nfs/dbraw/zinc/79/97/48/371799748.db2.gz NFKAMVARCLNRCF-UHFFFAOYSA-N 0 0 233.061 2.172 10 0 BEAERN COC(=O)c1cn2c(ncc2C(C)C)s1 ZINC000132382396 371803727 /nfs/dbraw/zinc/80/37/27/371803727.db2.gz FFPBODJNVCPXFF-UHFFFAOYSA-N 0 0 224.285 2.306 10 0 BEAERN Nc1nnc(Cc2ccccc2Cl)s1 ZINC000003716763 181813560 /nfs/dbraw/zinc/81/35/60/181813560.db2.gz XUNCENJKWCLCAM-UHFFFAOYSA-N 0 0 225.704 2.365 10 0 BEAERN Cc1ccnc2c1NC(=O)[C@@H](C)CS2 ZINC000162693588 371822583 /nfs/dbraw/zinc/82/25/83/371822583.db2.gz HFRRQNXEIJHFFC-ZETCQYMHSA-N 0 0 208.286 2.070 10 0 BEAERN O[C@@H](c1ccn(C(F)F)c1)C(F)(F)F ZINC000132451255 371826707 /nfs/dbraw/zinc/82/67/07/371826707.db2.gz RAMLRJJUPQOASR-YFKPBYRVSA-N 0 0 215.121 2.479 10 0 BEAERN Nc1snnc1CSc1ccccc1 ZINC000050833808 181821023 /nfs/dbraw/zinc/82/10/23/181821023.db2.gz KQQJVZPSRRASGS-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)Br ZINC000162780711 371847873 /nfs/dbraw/zinc/84/78/73/371847873.db2.gz KZMKBVAPWVKBCX-SFYZADRCSA-N 0 0 248.164 2.465 10 0 BEAERN C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)Br ZINC000162780837 371847909 /nfs/dbraw/zinc/84/79/09/371847909.db2.gz KZMKBVAPWVKBCX-YUMQZZPRSA-N 0 0 248.164 2.465 10 0 BEAERN Brc1nsc([C@@H]2CCCO2)n1 ZINC000230108880 371851375 /nfs/dbraw/zinc/85/13/75/371851375.db2.gz BXUYOJXPYRKJAH-BYPYZUCNSA-N 0 0 235.106 2.152 10 0 BEAERN C[C@H]1C[C@@H]1c1nc(Br)ns1 ZINC000230110062 371852129 /nfs/dbraw/zinc/85/21/29/371852129.db2.gz OTXAUPCDVSFOFE-IMJSIDKUSA-N 0 0 219.107 2.424 10 0 BEAERN Clc1nsc([C@H]2CCCOC2)n1 ZINC000230114263 371852269 /nfs/dbraw/zinc/85/22/69/371852269.db2.gz UNPLWXVPPQEIFE-YFKPBYRVSA-N 0 0 204.682 2.086 10 0 BEAERN Clc1nsc(C[C@@H]2CCCCO2)n1 ZINC000230114293 371853843 /nfs/dbraw/zinc/85/38/43/371853843.db2.gz JPQXJWPRRGDHJH-LURJTMIESA-N 0 0 218.709 2.303 10 0 BEAERN C[C@@H]1C[C@H](c2nc(Cl)ns2)CO1 ZINC000230113802 371854095 /nfs/dbraw/zinc/85/40/95/371854095.db2.gz FWYODXAPRVJVQP-UHNVWZDZSA-N 0 0 204.682 2.084 10 0 BEAERN C[C@@H]1C[C@H](C)N(C(=O)C(C)(C)Br)C1 ZINC000162879944 371873600 /nfs/dbraw/zinc/87/36/00/371873600.db2.gz MVSUFLSGNKBHCP-SFYZADRCSA-N 0 0 248.164 2.417 10 0 BEAERN CCCc1nc2c(c(NC)n1)CSC2 ZINC000162759880 371840163 /nfs/dbraw/zinc/84/01/63/371840163.db2.gz MJWQVURGYVKHNC-UHFFFAOYSA-N 0 0 209.318 2.218 10 0 BEAERN C[C@H]1CC(=O)Nc2c(Cl)cccc2N1 ZINC000163175648 371945217 /nfs/dbraw/zinc/94/52/17/371945217.db2.gz XSRSPIAZKXOBKN-LURJTMIESA-N 0 0 210.664 2.483 10 0 BEAERN C[C@@H]1CC(=O)Nc2c(Cl)cccc2N1 ZINC000163175539 371945516 /nfs/dbraw/zinc/94/55/16/371945516.db2.gz XSRSPIAZKXOBKN-ZCFIWIBFSA-N 0 0 210.664 2.483 10 0 BEAERN CO[C@@H]1C(=O)C[C@H]1OC1CCCCCC1 ZINC000132772975 371919808 /nfs/dbraw/zinc/91/98/08/371919808.db2.gz VBFRRYKHEGFCDD-VXGBXAGGSA-N 0 0 212.289 2.082 10 0 BEAERN C[C@@](O)(CO)c1ccc(Cl)cc1Cl ZINC000132844260 371933608 /nfs/dbraw/zinc/93/36/08/371933608.db2.gz SQBTXBBTARWTHV-SECBINFHSA-N 0 0 221.083 2.193 10 0 BEAERN Cc1cncc(C(=O)[C@@H]2CCCS2)c1 ZINC000227949610 371962031 /nfs/dbraw/zinc/96/20/31/371962031.db2.gz WSEGEEWETPUCOZ-JTQLQIEISA-N 0 0 207.298 2.468 10 0 BEAERN Cc1cncc([C@@]2(O)CS[C@H](C)C2)c1 ZINC000227945987 371962349 /nfs/dbraw/zinc/96/23/49/371962349.db2.gz YCRSVSBORHRJOR-KOLCDFICSA-N 0 0 209.314 2.103 10 0 BEAERN CCc1cnccc1-c1noc(Cl)n1 ZINC000133020674 371969524 /nfs/dbraw/zinc/96/95/24/371969524.db2.gz KFEGFSXIVZGTBZ-UHFFFAOYSA-N 0 0 209.636 2.347 10 0 BEAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(N)=O ZINC000058118608 371969681 /nfs/dbraw/zinc/96/96/81/371969681.db2.gz HIFDKQLCYFWWFD-ZETCQYMHSA-N 0 0 212.680 2.412 10 0 BEAERN Clc1ccc2nc3c(n2c1)COCC3 ZINC000228012286 371976259 /nfs/dbraw/zinc/97/62/59/371976259.db2.gz KIHKEQHYDXYRSU-UHFFFAOYSA-N 0 0 208.648 2.060 10 0 BEAERN O=C1C[C@H](c2sccc2Br)N1 ZINC000228023490 371978789 /nfs/dbraw/zinc/97/87/89/371978789.db2.gz IEQJIVWFSJNRBI-RXMQYKEDSA-N 0 0 232.102 2.072 10 0 BEAERN COC(=O)c1cn2cc(C(C)C)nc2s1 ZINC000228056283 371983645 /nfs/dbraw/zinc/98/36/45/371983645.db2.gz UUBARBTWAKICRN-UHFFFAOYSA-N 0 0 224.285 2.306 10 0 BEAERN Cc1cccc(S(=O)(=O)c2ccccc2N)c1 ZINC000163450087 371994981 /nfs/dbraw/zinc/99/49/81/371994981.db2.gz NGDOOOIHSUXXTH-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1cnc(Br)cn1 ZINC000306202940 371998191 /nfs/dbraw/zinc/99/81/91/371998191.db2.gz QUGFASHYHROIOZ-RQJHMYQMSA-N 0 0 242.120 2.450 10 0 BEAERN Cc1ccc(Br)c2c1OC[C@H]2O ZINC000228395411 372024216 /nfs/dbraw/zinc/02/42/16/372024216.db2.gz XCUBXCTUTAXVAI-SSDOTTSWSA-N 0 0 229.073 2.183 10 0 BEAERN NCC(=O)c1c(Cl)cccc1Br ZINC000217938699 372030389 /nfs/dbraw/zinc/03/03/89/372030389.db2.gz YIQBRHLGZQGRBF-UHFFFAOYSA-N 0 0 248.507 2.244 10 0 BEAERN C[C@@H](c1c(F)cccc1F)[S@@](C)=O ZINC000306557993 372035564 /nfs/dbraw/zinc/03/55/64/372035564.db2.gz NUXNCSZZPDDLRY-DAZKTRTLSA-N 0 0 204.241 2.404 10 0 BEAERN Cc1csc(C2(NC(C)C)CSC2)n1 ZINC000306597239 372043177 /nfs/dbraw/zinc/04/31/77/372043177.db2.gz ZIHWFELTKTYDAR-UHFFFAOYSA-N 0 0 228.386 2.392 10 0 BEAERN C[C@H](N[C@@H]1C[C@@H]2CC=C[C@@H]12)C(F)(F)F ZINC000306601266 372044944 /nfs/dbraw/zinc/04/49/44/372044944.db2.gz UIZWUCYROXIMMU-RBXMUDONSA-N 0 0 205.223 2.491 10 0 BEAERN CCCN1C(=S)N=NC1c1ccoc1 ZINC000228202635 372004830 /nfs/dbraw/zinc/00/48/30/372004830.db2.gz RAROOMFJCKLCNP-UHFFFAOYSA-N 0 0 209.274 2.237 10 0 BEAERN CC[C@@H]1CN(c2ncc(C=O)s2)CCS1 ZINC000133221616 372007642 /nfs/dbraw/zinc/00/76/42/372007642.db2.gz ONIHEVDWDIAUQA-MRVPVSSYSA-N 0 0 242.369 2.287 10 0 BEAERN CCn1c(=S)[nH]c2cncc(Cl)c21 ZINC000306735186 372062426 /nfs/dbraw/zinc/06/24/26/372062426.db2.gz VWJKBOVWSFYJOF-UHFFFAOYSA-N 0 0 213.693 2.393 10 0 BEAERN Nc1cc(F)c(O)c(OC(F)(F)F)c1 ZINC000306892586 372075900 /nfs/dbraw/zinc/07/59/00/372075900.db2.gz HGVSXMQXIAJFCA-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN O=C(C1CC=CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000151965401 181864583 /nfs/dbraw/zinc/86/45/83/181864583.db2.gz BYCVHTYYMUCJDR-ZDUSSCGKSA-N 0 0 245.326 2.430 10 0 BEAERN CCOc1cccc([C@H]2CCC(=O)O2)c1 ZINC000228843142 372085006 /nfs/dbraw/zinc/08/50/06/372085006.db2.gz HSJCEUQOCHJTDD-LLVKDONJSA-N 0 0 206.241 2.463 10 0 BEAERN CNC1(C(F)(F)F)C[C@H](C)O[C@@H](C)C1 ZINC000133675050 372085991 /nfs/dbraw/zinc/08/59/91/372085991.db2.gz HMPOZQPOWCBUOH-BQBZGAKWSA-N 0 0 211.227 2.094 10 0 BEAERN Cc1cnc(Cl)cc1Sc1nc[nH]n1 ZINC000133740807 372099526 /nfs/dbraw/zinc/09/95/26/372099526.db2.gz VVGGCAJJWXWHRM-UHFFFAOYSA-N 0 0 226.692 2.313 10 0 BEAERN C[C@H](NN1CCCCC1)c1cscn1 ZINC000229133746 372121297 /nfs/dbraw/zinc/12/12/97/372121297.db2.gz JYTYNCXIGJESNH-VIFPVBQESA-N 0 0 211.334 2.195 10 0 BEAERN COc1ccc2c(c1)cc(=O)[nH]c2Cl ZINC000059202422 372149386 /nfs/dbraw/zinc/14/93/86/372149386.db2.gz SAFXBUQQGYMWAJ-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN COc1ccc2c(c1)[C@@H]([C@@H](C)CNC(C)=O)CC2 ZINC000059203663 372149711 /nfs/dbraw/zinc/14/97/11/372149711.db2.gz VJGZYRXNBVKENO-IINYFYTJSA-N 0 0 247.338 2.497 10 0 BEAERN COc1ccc2c(c1)[C@@H]([C@H](C)CNC(C)=O)CC2 ZINC000059203666 372149847 /nfs/dbraw/zinc/14/98/47/372149847.db2.gz VJGZYRXNBVKENO-QMTHXVAHSA-N 0 0 247.338 2.497 10 0 BEAERN NN[C@@H](C1CCCC1)[C@H]1CCCCS1 ZINC000229674750 372181247 /nfs/dbraw/zinc/18/12/47/372181247.db2.gz WUGQHGVGOVHEDL-MNOVXSKESA-N 0 0 214.378 2.294 10 0 BEAERN C[C@]1(Nc2nc(Cl)ncc2Cl)CCOC1 ZINC000229486622 372156208 /nfs/dbraw/zinc/15/62/08/372156208.db2.gz KPXCBCIKWDZGCS-VIFPVBQESA-N 0 0 248.113 2.374 10 0 BEAERN Cc1cc(N[C@@]2(C)CCOC2)nc(Cl)n1 ZINC000229486211 372156630 /nfs/dbraw/zinc/15/66/30/372156630.db2.gz HDDSWMUCUYIKDW-JTQLQIEISA-N 0 0 227.695 2.029 10 0 BEAERN Cc1cc(N[C@]2(C)CCOC2)nc(Cl)n1 ZINC000229486220 372156822 /nfs/dbraw/zinc/15/68/22/372156822.db2.gz HDDSWMUCUYIKDW-SNVBAGLBSA-N 0 0 227.695 2.029 10 0 BEAERN C[C@H]1CN(C/C(Cl)=C\Cl)CCC1=O ZINC000229505948 372160062 /nfs/dbraw/zinc/16/00/62/372160062.db2.gz MHTHEURFTHAQKM-PUSOHNNWSA-N 0 0 222.115 2.216 10 0 BEAERN Nc1cccc(Cl)c1NC(=O)C(F)(F)F ZINC000229558314 372163920 /nfs/dbraw/zinc/16/39/20/372163920.db2.gz JYUHDMBZCKUKNU-UHFFFAOYSA-N 0 0 238.596 2.423 10 0 BEAERN CC1CCC(O)([C@@H](O)C(C)(C)C)CC1 ZINC000232827020 372166144 /nfs/dbraw/zinc/16/61/44/372166144.db2.gz KHNRZCUESMLPTL-YZRBJQDESA-N 0 0 200.322 2.335 10 0 BEAERN COC1=C/C(=C/N(O)c2ccccc2)C=CC1=O ZINC000032239662 372168234 /nfs/dbraw/zinc/16/82/34/372168234.db2.gz FUCOXDQWTLEQEK-ZHACJKMWSA-N 0 0 243.262 2.435 10 0 BEAERN CC(C)=C[C@H](NN)c1ccc(Cl)cn1 ZINC000229595031 372170203 /nfs/dbraw/zinc/17/02/03/372170203.db2.gz NBNYMRHZEBBKRS-JTQLQIEISA-N 0 0 211.696 2.206 10 0 BEAERN Brc1cc(-c2cnsc2)ncn1 ZINC000404938363 372125404 /nfs/dbraw/zinc/12/54/04/372125404.db2.gz NCFIZBVXUXMAIM-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN COCC(=O)c1cccc(OC(F)F)c1 ZINC000229180590 372125835 /nfs/dbraw/zinc/12/58/35/372125835.db2.gz WWKRCKICIDBZGT-UHFFFAOYSA-N 0 0 216.183 2.117 10 0 BEAERN C[C@@](O)(CC1CCC1)c1cnc(N)s1 ZINC000229740237 372188109 /nfs/dbraw/zinc/18/81/09/372188109.db2.gz XIPUYTPFIOMKQP-SNVBAGLBSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@@H](Nc1cccc(F)n1)c1cn[nH]c1 ZINC000229733185 372188131 /nfs/dbraw/zinc/18/81/31/372188131.db2.gz VMUQXYORYNIYDP-SSDOTTSWSA-N 0 0 206.224 2.117 10 0 BEAERN C[C@H](Nc1ccnn1C)c1cscn1 ZINC000134296855 372192125 /nfs/dbraw/zinc/19/21/25/372192125.db2.gz LXNQIGZVVWLHCC-ZETCQYMHSA-N 0 0 208.290 2.050 10 0 BEAERN O=C1CC[C@H](Cc2ccc(Cl)s2)N1 ZINC000134324526 372195605 /nfs/dbraw/zinc/19/56/05/372195605.db2.gz QDJDRNGTAFOFHN-ZCFIWIBFSA-N 0 0 215.705 2.223 10 0 BEAERN O=C1CC[C@@H](Cc2cc(Cl)cs2)N1 ZINC000134320262 372196321 /nfs/dbraw/zinc/19/63/21/372196321.db2.gz OWOMQXLAVKXNSJ-ZETCQYMHSA-N 0 0 215.705 2.223 10 0 BEAERN O=C1CC[C@@H](Cc2ccc(Cl)s2)N1 ZINC000134324506 372196795 /nfs/dbraw/zinc/19/67/95/372196795.db2.gz QDJDRNGTAFOFHN-LURJTMIESA-N 0 0 215.705 2.223 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1cccnc1Cl ZINC000134383728 372201376 /nfs/dbraw/zinc/20/13/76/372201376.db2.gz DYKKOWXWANAFQW-SFYZADRCSA-N 0 0 212.680 2.324 10 0 BEAERN Nc1cc2c(cc1C(=O)c1ccccc1)OCO2 ZINC000139931658 372287263 /nfs/dbraw/zinc/28/72/63/372287263.db2.gz HXHAAJFQYIBYKF-UHFFFAOYSA-N 0 0 241.246 2.229 10 0 BEAERN O=C(CCCc1ccccc1)N1CCCO1 ZINC000125454223 181912149 /nfs/dbraw/zinc/91/21/49/181912149.db2.gz FMVVJBCONCWKFX-UHFFFAOYSA-N 0 0 219.284 2.173 10 0 BEAERN NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000140287340 372559869 /nfs/dbraw/zinc/55/98/69/372559869.db2.gz CGQZDXHTAKCFHM-UHFFFAOYSA-N 0 0 235.026 2.001 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@@H](C)[S@]2=O ZINC000038974452 372838880 /nfs/dbraw/zinc/83/88/80/372838880.db2.gz YZSUKYPILWHVQV-CLAHSXSESA-N 0 0 208.282 2.078 10 0 BEAERN O=C(C[C@@H]1COCCC1=O)c1ccc(F)cc1 ZINC000085347618 182021469 /nfs/dbraw/zinc/02/14/69/182021469.db2.gz OSKHHMBQTBLEBY-SNVBAGLBSA-N 0 0 236.242 2.004 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC[C@@H](O)CC(C)(C)C ZINC000172279780 372926890 /nfs/dbraw/zinc/92/68/90/372926890.db2.gz UOAIOLVAJUCSLN-MNOVXSKESA-N 0 0 244.379 2.127 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC[C@@H](O)CC(C)(C)C ZINC000172279785 372927323 /nfs/dbraw/zinc/92/73/23/372927323.db2.gz UOAIOLVAJUCSLN-QWRGUYRKSA-N 0 0 244.379 2.127 10 0 BEAERN O=C(Cc1ccc(F)cc1)C1CCOCC1 ZINC000061672584 182036151 /nfs/dbraw/zinc/03/61/51/182036151.db2.gz AXSLWSOCLBBERM-UHFFFAOYSA-N 0 0 222.259 2.364 10 0 BEAERN OC[C@](O)(c1ccccc1)C1CCCCC1 ZINC000039437191 372971801 /nfs/dbraw/zinc/97/18/01/372971801.db2.gz BCBMRSQLCNPJFR-AWEZNQCLSA-N 0 0 220.312 2.447 10 0 BEAERN O=C(Cc1ccc[nH]1)NC1CCCCC1 ZINC000074701051 182040033 /nfs/dbraw/zinc/04/00/33/182040033.db2.gz TVYYRODGNDYRBG-UHFFFAOYSA-N 0 0 206.289 2.006 10 0 BEAERN O=C(Cc1ccccc1)Nc1cncc(F)c1 ZINC000036476055 182044133 /nfs/dbraw/zinc/04/41/33/182044133.db2.gz YHJITHVWSNXBIR-UHFFFAOYSA-N 0 0 230.242 2.402 10 0 BEAERN CC=CC(=O)Cc1c(Cl)c(C)nn1C ZINC000379488171 373001701 /nfs/dbraw/zinc/00/17/01/373001701.db2.gz MJIDRCJYRQBANU-PLNGDYQASA-N 0 0 212.680 2.070 10 0 BEAERN COC(=O)[C@@H](N)c1csc2ccccc21 ZINC000039633735 373013557 /nfs/dbraw/zinc/01/35/57/373013557.db2.gz DXHBPKCPVHUXSF-JTQLQIEISA-N 0 0 221.281 2.074 10 0 BEAERN O=C(Cn1cccc1)Nc1ccc(F)cc1F ZINC000004101702 182067596 /nfs/dbraw/zinc/06/75/96/182067596.db2.gz CVPBOLMSPAEPCC-UHFFFAOYSA-N 0 0 236.221 2.405 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)c2ccnn2C)C1 ZINC000069019770 373106409 /nfs/dbraw/zinc/10/64/09/373106409.db2.gz WCZKOTFFEYCDPT-UWVGGRQHSA-N 0 0 206.289 2.429 10 0 BEAERN Cn1nccc1[C@H](O)c1ccc(Cl)s1 ZINC000069019404 373106487 /nfs/dbraw/zinc/10/64/87/373106487.db2.gz LZSOGXQBHVDIIG-VIFPVBQESA-N 0 0 228.704 2.217 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)c2nccn2C)C1 ZINC000069028567 373108333 /nfs/dbraw/zinc/10/83/33/373108333.db2.gz QNIXSLNQQDQILC-UWVGGRQHSA-N 0 0 206.289 2.429 10 0 BEAERN O=C(Cn1cccn1)c1cc(Cl)ccc1O ZINC000039473421 182069775 /nfs/dbraw/zinc/06/97/75/182069775.db2.gz VUWYVQBBCPSRHQ-UHFFFAOYSA-N 0 0 236.658 2.125 10 0 BEAERN O=C(N1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000038716647 182079835 /nfs/dbraw/zinc/07/98/35/182079835.db2.gz AZCNVQCPNDPAEN-UHFFFAOYSA-N 0 0 233.286 2.480 10 0 BEAERN CC(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000069271545 373184256 /nfs/dbraw/zinc/18/42/56/373184256.db2.gz NAPCCAHFOLFWRQ-KGLIPLIRSA-N 0 0 247.338 2.475 10 0 BEAERN O=C(N1CC[C@H]2CCCC[C@@H]21)C(F)(F)F ZINC000039054638 182083252 /nfs/dbraw/zinc/08/32/52/182083252.db2.gz OBPDFBRFKVKZAJ-SFYZADRCSA-N 0 0 221.222 2.340 10 0 BEAERN O=C(NC1CCC(O)CC1)Oc1ccccc1 ZINC000035101268 182101693 /nfs/dbraw/zinc/10/16/93/182101693.db2.gz CLDZKPWJFSGYOK-UHFFFAOYSA-N 0 0 235.283 2.079 10 0 BEAERN O=C(NC1CC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109080142 182099121 /nfs/dbraw/zinc/09/91/21/182099121.db2.gz IPGZXVNTUSTGLP-VHSXEESVSA-N 0 0 237.249 2.347 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000176765895 205594850 /nfs/dbraw/zinc/59/48/50/205594850.db2.gz PUNUWQHENBKVPS-SYQHCUMBSA-N 0 0 249.354 2.203 10 0 BEAERN COC(=O)[C@@H](N)Cc1cc(Cl)cc(Cl)c1 ZINC000069554709 373458007 /nfs/dbraw/zinc/45/80/07/373458007.db2.gz IFHLRMPUKNNUMM-VIFPVBQESA-N 0 0 248.109 2.036 10 0 BEAERN CCOC(=O)c1cc(F)c(OC)c(F)c1F ZINC000380887679 373595718 /nfs/dbraw/zinc/59/57/18/373595718.db2.gz KEHURLTXWOVIGF-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN CCOC(=O)c1c(F)cc([N+](=O)[O-])cc1F ZINC000380856947 373576605 /nfs/dbraw/zinc/57/66/05/373576605.db2.gz BPPHUBFXRBQNHW-UHFFFAOYSA-N 0 0 231.154 2.050 10 0 BEAERN O=C(NCCC1CCCC1)NC1CCC1 ZINC000122856274 182156857 /nfs/dbraw/zinc/15/68/57/182156857.db2.gz NUIIDWWMULZFOA-UHFFFAOYSA-N 0 0 210.321 2.418 10 0 BEAERN O=c1[nH]ccc2c(F)c(Br)ccc12 ZINC000142578082 373640371 /nfs/dbraw/zinc/64/03/71/373640371.db2.gz KOZJUQFJIAHTKQ-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN O=C(NCCC1CCCC1)c1ncccc1O ZINC000037760800 182156915 /nfs/dbraw/zinc/15/69/15/182156915.db2.gz UQRYPWMQXAAMDI-UHFFFAOYSA-N 0 0 234.299 2.097 10 0 BEAERN CCn1nc(C)cc1C(=O)N1CCCCCC1 ZINC000040770626 373702386 /nfs/dbraw/zinc/70/23/86/373702386.db2.gz XMTMMRXRIXZGCT-UHFFFAOYSA-N 0 0 235.331 2.228 10 0 BEAERN C[C@@H](NC(=O)n1ccnc1)C1CCCC1 ZINC000069805793 373823820 /nfs/dbraw/zinc/82/38/20/373823820.db2.gz RNULRVVYWNTDGL-SECBINFHSA-N 0 0 207.277 2.020 10 0 BEAERN Cc1cc(C(=O)N2CC[C@@H](O)C[C@H]2C)cs1 ZINC000633870703 373829601 /nfs/dbraw/zinc/82/96/01/373829601.db2.gz QHCZZYRDHVMCDX-LDYMZIIASA-N 0 0 239.340 2.042 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1CCCC[C@@H]1C ZINC000633871568 373831269 /nfs/dbraw/zinc/83/12/69/373831269.db2.gz NRWXTTZEUBETAD-UMSGYPCISA-N 0 0 239.359 2.185 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633871565 373831378 /nfs/dbraw/zinc/83/13/78/373831378.db2.gz NRWXTTZEUBETAD-FDYHWXHSSA-N 0 0 239.359 2.185 10 0 BEAERN c1csc(CCNc2ccncn2)c1 ZINC000040862997 373851375 /nfs/dbraw/zinc/85/13/75/373851375.db2.gz BSEPPEXLWMBCOA-UHFFFAOYSA-N 0 0 205.286 2.193 10 0 BEAERN Nc1n[nH]cc1SCc1ccccc1 ZINC000040999471 374023080 /nfs/dbraw/zinc/02/30/80/374023080.db2.gz YBJXXTPDLISQHB-UHFFFAOYSA-N 0 0 205.286 2.284 10 0 BEAERN C[C@H]1CC(=O)c2cccc(Cl)c2[S@@]1=O ZINC000040972979 373974002 /nfs/dbraw/zinc/97/40/02/373974002.db2.gz FHCUUWHNILBCDD-MDAAJZPYSA-N 0 0 228.700 2.423 10 0 BEAERN O=C(NCCc1ccsc1)c1cc[nH]c1 ZINC000109254095 182210088 /nfs/dbraw/zinc/21/00/88/182210088.db2.gz BGZAWGLLLSKYJY-UHFFFAOYSA-N 0 0 220.297 2.049 10 0 BEAERN Cc1cc2c(cc1C)[S@@](=O)[C@H](C)CC2=O ZINC000040973087 373975770 /nfs/dbraw/zinc/97/57/70/373975770.db2.gz LJOSTUCSYYNPTO-RFAUZJTJSA-N 0 0 222.309 2.386 10 0 BEAERN Nc1ccc(C(=O)CC(F)(F)F)cc1 ZINC000070041779 374112003 /nfs/dbraw/zinc/11/20/03/374112003.db2.gz ZTDWRVOFUCICIR-UHFFFAOYSA-N 0 0 203.163 2.404 10 0 BEAERN Cc1cc(Br)c(O)cc1O ZINC000142907024 374114524 /nfs/dbraw/zinc/11/45/24/374114524.db2.gz BBORPPIIXOVCGX-UHFFFAOYSA-N 0 0 203.035 2.169 10 0 BEAERN O=C(NC[C@H](O)c1cccs1)c1ccccc1 ZINC000049835345 182233751 /nfs/dbraw/zinc/23/37/51/182233751.db2.gz SUVRZAXMIDZOKT-NSHDSACASA-N 0 0 247.319 2.212 10 0 BEAERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000110446035 182229679 /nfs/dbraw/zinc/22/96/79/182229679.db2.gz NYDXHZFLHQAINT-MJBXVCDLSA-N 0 0 245.322 2.085 10 0 BEAERN Cc1cc(C(=O)c2cc[nH]c2)ccc1N ZINC000070671553 374173553 /nfs/dbraw/zinc/17/35/53/374173553.db2.gz OWXAOGUMPBTQSL-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN Nc1cc(C(=O)c2cc[nH]c2)ccc1Cl ZINC000070671545 374173766 /nfs/dbraw/zinc/17/37/66/374173766.db2.gz NDNLLTFSVDZASU-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000246141708 374174793 /nfs/dbraw/zinc/17/47/93/374174793.db2.gz RFKLBXCEHWCDRF-ZNSHCXBVSA-N 0 0 210.321 2.273 10 0 BEAERN Cc1ccn(Cc2ccc(Cl)nc2)n1 ZINC000070685246 374176755 /nfs/dbraw/zinc/17/67/55/374176755.db2.gz PDHYDPWSNBKWTN-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN Cc1nn(Cc2nnsc2Cl)cc1Cl ZINC000070689252 374177185 /nfs/dbraw/zinc/17/71/85/374177185.db2.gz ZBGWBBABQPADEN-UHFFFAOYSA-N 0 0 249.126 2.398 10 0 BEAERN Cc1nn(-c2nccnc2Cl)cc1Cl ZINC000070704000 374178577 /nfs/dbraw/zinc/17/85/77/374178577.db2.gz UBMYPFFDMHWQGV-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN CC(C)(C)OC(=O)NC[C@@H](O)C1CCCC1 ZINC000143541250 374198311 /nfs/dbraw/zinc/19/83/11/374198311.db2.gz OCLVPGXOBZWFGM-SNVBAGLBSA-N 0 0 229.320 2.062 10 0 BEAERN C[C@@H](O)c1csc(N2CCC[C@H]2C)n1 ZINC000070846674 374204640 /nfs/dbraw/zinc/20/46/40/374204640.db2.gz FPTFXQOSPMKURC-HTQZYQBOSA-N 0 0 212.318 2.185 10 0 BEAERN CC(=O)c1csc(N2CCC[C@@H]2C)n1 ZINC000070848984 374204993 /nfs/dbraw/zinc/20/49/93/374204993.db2.gz UFEJGGYFAXIREF-ZETCQYMHSA-N 0 0 210.302 2.334 10 0 BEAERN CCCN1c2cccc(Cl)c2C(=O)C1=O ZINC000042136216 374250110 /nfs/dbraw/zinc/25/01/10/374250110.db2.gz HPSZHXYHNCNWQN-UHFFFAOYSA-N 0 0 223.659 2.279 10 0 BEAERN Cc1cnc(CNC(=O)N[C@H](C)C(C)C)s1 ZINC000174744371 374258621 /nfs/dbraw/zinc/25/86/21/374258621.db2.gz UHLVFYKGVOQJNN-SECBINFHSA-N 0 0 241.360 2.295 10 0 BEAERN CCOC(=O)C1=CCc2ccccc2O1 ZINC000144032766 374268105 /nfs/dbraw/zinc/26/81/05/374268105.db2.gz KYZBIYDKNADGMT-UHFFFAOYSA-N 0 0 204.225 2.069 10 0 BEAERN CC(=O)[C@@H](C)c1nc(-c2ccco2)no1 ZINC000070997083 374238770 /nfs/dbraw/zinc/23/87/70/374238770.db2.gz GAVRCIVARZWIFP-ZCFIWIBFSA-N 0 0 206.201 2.022 10 0 BEAERN O[C@H](Cc1ncccc1Br)C1CC1 ZINC000071005139 374240154 /nfs/dbraw/zinc/24/01/54/374240154.db2.gz QRAJOZHSVXVSSY-SNVBAGLBSA-N 0 0 242.116 2.158 10 0 BEAERN Clc1c2c(nc3ncnn31)CCCCC2 ZINC000071002791 374240363 /nfs/dbraw/zinc/24/03/63/374240363.db2.gz RSLZAAXTMWHCCO-UHFFFAOYSA-N 0 0 222.679 2.047 10 0 BEAERN CN(C)c1nc(Cl)c(/C=C/[N+](=O)[O-])s1 ZINC000042905339 374298602 /nfs/dbraw/zinc/29/86/02/374298602.db2.gz RGBXZBHERYVMRY-ONEGZZNKSA-N 0 0 233.680 2.110 10 0 BEAERN O=C(N[C@@H]1CCCCC[C@H]1O)c1cccs1 ZINC000130866344 182292735 /nfs/dbraw/zinc/29/27/35/182292735.db2.gz KLJUSKBVMDCNNP-NXEZZACHSA-N 0 0 239.340 2.172 10 0 BEAERN O=C(N[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F ZINC000032137336 182318316 /nfs/dbraw/zinc/31/83/16/182318316.db2.gz ONHHCCWIZDGBTO-DTWKUNHWSA-N 0 0 229.201 2.221 10 0 BEAERN O=C(Nc1ccc(O)cc1)c1cc(O)cc(O)c1 ZINC000090713609 182360725 /nfs/dbraw/zinc/36/07/25/182360725.db2.gz JMFHJQBJQSFWGM-UHFFFAOYSA-N 0 0 245.234 2.056 10 0 BEAERN O=C(Nc1ccc(=O)[nH]c1)c1ccoc1Cl ZINC000336617380 182361433 /nfs/dbraw/zinc/36/14/33/182361433.db2.gz HOVOLJYOWPXZHU-UHFFFAOYSA-N 0 0 238.630 2.286 10 0 BEAERN O=C(Nc1ccccc1)N(CCO)C1CCCC1 ZINC000048284154 182375139 /nfs/dbraw/zinc/37/51/39/182375139.db2.gz LISMABBKWHRACL-UHFFFAOYSA-N 0 0 248.326 2.455 10 0 BEAERN O=C(Nc1ccccc1)N1CCC[C@H]1CCCO ZINC000052760683 182375408 /nfs/dbraw/zinc/37/54/08/182375408.db2.gz ABJCJEHOJVUDNW-ZDUSSCGKSA-N 0 0 248.326 2.455 10 0 BEAERN O=C(Nc1cccc2c1NCCC2)[C@@H]1CCCO1 ZINC000019279748 182373027 /nfs/dbraw/zinc/37/30/27/182373027.db2.gz QOOMVUBIGLNVAT-LBPRGKRZSA-N 0 0 246.310 2.162 10 0 BEAERN O=C([O-])CCCCc1ccn2c[nH+]cc2c1 ZINC000029404689 182438973 /nfs/dbraw/zinc/43/89/73/182438973.db2.gz SKMSGJQVORUNMZ-UHFFFAOYSA-N 0 0 218.256 2.132 10 0 BEAERN O=C([O-])CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000238161572 182444471 /nfs/dbraw/zinc/44/44/71/182444471.db2.gz QTXOQJXAGFUXNO-UHFFFAOYSA-N 0 0 249.310 2.005 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1cccc2ccccc21 ZINC000069271982 182542734 /nfs/dbraw/zinc/54/27/34/182542734.db2.gz NLVXTQPLGJBYLL-KBPBESRZSA-N 0 0 241.290 2.227 10 0 BEAERN O=C(Oc1cc(O)cc(O)c1)c1ccccc1 ZINC000034613802 182608036 /nfs/dbraw/zinc/60/80/36/182608036.db2.gz XWCUNSJZUJLZIL-UHFFFAOYSA-N 0 0 230.219 2.317 10 0 BEAERN CCCCOC(=O)c1cnc2ccccc2c1O ZINC000013685772 168886530 /nfs/dbraw/zinc/88/65/30/168886530.db2.gz LKWHYYPRQAIKDW-UHFFFAOYSA-N 0 0 245.278 2.485 10 0 in-vivo BEAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CC(F)C1 ZINC000336558539 182642667 /nfs/dbraw/zinc/64/26/67/182642667.db2.gz RELSMCZEBRKGIB-RYUDHWBXSA-N 0 0 225.307 2.383 10 0 BEAERN CCOC(=O)Cc1cc(OC)ccc1Cl ZINC000096888763 170235430 /nfs/dbraw/zinc/23/54/30/170235430.db2.gz IHVOETUDRCZTLI-UHFFFAOYSA-N 0 0 228.675 2.454 10 0 BEAERN CCOC(=O)Nc1cc(N)ccc1Cl ZINC000036744142 170243937 /nfs/dbraw/zinc/24/39/37/170243937.db2.gz SBXCFAOAPLZWCY-UHFFFAOYSA-N 0 0 214.652 2.491 10 0 BEAERN O=C1CCc2c1cccc2O[C@H]1CCC[C@@H]1O ZINC000062800117 182755106 /nfs/dbraw/zinc/75/51/06/182755106.db2.gz QBWCCKWYBDHLLV-JSGCOSHPSA-N 0 0 232.279 2.108 10 0 BEAERN O=C(CCN1CCC(=O)CC1)c1ccc(F)cc1 ZINC000050142005 182741149 /nfs/dbraw/zinc/74/11/49/182741149.db2.gz DBGCBPUHRUWHNV-UHFFFAOYSA-N 0 0 249.285 2.063 10 0 BEAERN O=C1CCOc2cc(Cl)c(F)cc2N1 ZINC000062526170 182744614 /nfs/dbraw/zinc/74/46/14/182744614.db2.gz IEDGUMRQJKJXLO-UHFFFAOYSA-N 0 0 215.611 2.200 10 0 BEAERN O=C1CCOC[C@@H]1CCc1ccccc1 ZINC000076639134 182744695 /nfs/dbraw/zinc/74/46/95/182744695.db2.gz FYDAXNQUPPCDNG-LBPRGKRZSA-N 0 0 204.269 2.225 10 0 BEAERN O=C1COC[C@H]1Cc1ccc(Cl)cc1 ZINC000076643192 182767630 /nfs/dbraw/zinc/76/76/30/182767630.db2.gz QMZNKTZASHCUAG-SECBINFHSA-N 0 0 210.660 2.098 10 0 BEAERN O=C1C[C@H]2CC[C@@H](C1)N2c1nc2c(s1)CCC2 ZINC000054627070 182779004 /nfs/dbraw/zinc/77/90/04/182779004.db2.gz RUTPRKMYZAIMHX-DTORHVGOSA-N 0 0 248.351 2.332 10 0 BEAERN O=C1Nc2ccc(F)cc2N[C@H]2CCC[C@@H]12 ZINC000082365705 182823529 /nfs/dbraw/zinc/82/35/29/182823529.db2.gz HJSUZMGLAFHFCZ-BDAKNGLRSA-N 0 0 220.247 2.358 10 0 BEAERN O=C1NCCCc2cc(Br)sc21 ZINC000096983935 182803878 /nfs/dbraw/zinc/80/38/78/182803878.db2.gz OWFORQPUZTYUAE-UHFFFAOYSA-N 0 0 246.129 2.187 10 0 BEAERN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 ZINC000013465811 182842302 /nfs/dbraw/zinc/84/23/02/182842302.db2.gz ZCJHLBHJGLCVRU-XPINBCHXSA-N 0 0 240.302 2.015 10 0 BEAERN O=C1c2ccccc2CC[C@H]1C[C@H]1COCCO1 ZINC000039135165 182845498 /nfs/dbraw/zinc/84/54/98/182845498.db2.gz RMGQDDXUUCJTHW-STQMWFEESA-N 0 0 246.306 2.237 10 0 BEAERN O=C1Nc2cccc(Cl)c2N2CCC[C@@H]12 ZINC000086158657 182824162 /nfs/dbraw/zinc/82/41/62/182824162.db2.gz QNNGFGRLQPPVFO-VIFPVBQESA-N 0 0 222.675 2.261 10 0 BEAERN O=C1O[C@H](O)c2ccc(Cl)c(Cl)c21 ZINC000034211565 182837232 /nfs/dbraw/zinc/83/72/32/182837232.db2.gz OVIZCVBUYVKJDG-ZETCQYMHSA-N 0 0 219.023 2.155 10 0 BEAERN O=Cc1c(Br)cnc2ncccc12 ZINC000146221952 182858541 /nfs/dbraw/zinc/85/85/41/182858541.db2.gz CLNPIUZKBVEYRU-UHFFFAOYSA-N 0 0 237.056 2.205 10 0 BEAERN O=Cc1cc2cc(O)ccc2nc1Cl ZINC000147898104 182864292 /nfs/dbraw/zinc/86/42/92/182864292.db2.gz QWDRTANOQNQDMU-UHFFFAOYSA-N 0 0 207.616 2.406 10 0 BEAERN O=Cc1cc2cc(Br)cnc2[nH]1 ZINC000082361023 182864790 /nfs/dbraw/zinc/86/47/90/182864790.db2.gz CXZJORQGBPDWGM-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN O=Cc1nnc(-c2ccc(F)cc2)s1 ZINC000082016287 182876278 /nfs/dbraw/zinc/87/62/78/182876278.db2.gz TWVYZKOJTIUUEC-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN O=Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000095917854 182876877 /nfs/dbraw/zinc/87/68/77/182876877.db2.gz QDYUAFSFWVGEJY-UHFFFAOYSA-N 0 0 230.145 2.274 10 0 BEAERN O=S1(=O)C=C[C@@H](c2cccc(Cl)c2)C1 ZINC000040173705 182906491 /nfs/dbraw/zinc/90/64/91/182906491.db2.gz SNFNAYRVWQOKDV-SECBINFHSA-N 0 0 228.700 2.366 10 0 BEAERN CCCCSCCC(=O)N[C@H]1C[C@@H]1C ZINC000120971252 168930611 /nfs/dbraw/zinc/93/06/11/168930611.db2.gz ZGVMQROAQHLXMU-UWVGGRQHSA-N 0 0 215.362 2.434 10 0 BEAERN O=c1ccc2c(-c3ccncc3)ccc(O)c2[nH]1 ZINC000026486341 183000826 /nfs/dbraw/zinc/00/08/26/183000826.db2.gz MJHLTADFWPJCQN-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN O=c1nc(-c2ccccc2C(F)(F)F)cc[nH]1 ZINC000044117196 183008262 /nfs/dbraw/zinc/00/82/62/183008262.db2.gz WKOXHJAZFWDIRK-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1ncc(Oc2ccccc2Cl)c[nH]1 ZINC000090495047 183011583 /nfs/dbraw/zinc/01/15/83/183011583.db2.gz SQALISWFLCDEOM-UHFFFAOYSA-N 0 0 222.631 2.216 10 0 BEAERN O=c1nc2oc(-c3ccccc3)cc2c[nH]1 ZINC000090661835 183011932 /nfs/dbraw/zinc/01/19/32/183011932.db2.gz GWZJLWYOVBDCMJ-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN OC1CCC(Nc2ncnc3ccccc32)CC1 ZINC000024339919 183029230 /nfs/dbraw/zinc/02/92/30/183029230.db2.gz ZHYFGWCJMQNDKU-UHFFFAOYSA-N 0 0 243.310 2.345 10 0 BEAERN O=C1N[C@@H](c2ccccc2)C12CCOCC2 ZINC000328579402 183026167 /nfs/dbraw/zinc/02/61/67/183026167.db2.gz FVUCKBQAEVMFDL-NSHDSACASA-N 0 0 217.268 2.495 10 0 BEAERN OCC1(Nc2nccs2)CCCCC1 ZINC000053096668 183039769 /nfs/dbraw/zinc/03/97/69/183039769.db2.gz QHDPKCPWOFPYBW-UHFFFAOYSA-N 0 0 212.318 2.250 10 0 BEAERN OCC1(Nc2ccc(Cl)cn2)CCCC1 ZINC000053070972 183039807 /nfs/dbraw/zinc/03/98/07/183039807.db2.gz FUMDRTKBJMSSNZ-UHFFFAOYSA-N 0 0 226.707 2.452 10 0 BEAERN OCCCc1cnn(-c2ccc(F)cc2F)c1 ZINC000054669842 183063894 /nfs/dbraw/zinc/06/38/94/183063894.db2.gz SOEXZHCBRRDFMS-UHFFFAOYSA-N 0 0 238.237 2.075 10 0 BEAERN OCCSCCC[C@H](O)c1ccc(F)cc1 ZINC000058826691 183087582 /nfs/dbraw/zinc/08/75/82/183087582.db2.gz SQPMMIQJXTXNGS-LBPRGKRZSA-N 0 0 244.331 2.365 10 0 BEAERN OCCOc1ccc(-c2ccccc2F)nc1 ZINC000090741379 183087962 /nfs/dbraw/zinc/08/79/62/183087962.db2.gz QCJIVDXNYPBLJA-UHFFFAOYSA-N 0 0 233.242 2.259 10 0 BEAERN CCCC[C@H](CC)C(=O)NCc1cn[nH]c1 ZINC000038006716 168995493 /nfs/dbraw/zinc/99/54/93/168995493.db2.gz WUKNWEJNBOSPKA-NSHDSACASA-N 0 0 223.320 2.242 10 0 BEAERN OCC[C@@H]1CNc2ccc(Br)cc21 ZINC000071486841 183095253 /nfs/dbraw/zinc/09/52/53/183095253.db2.gz MZSOSCILGVEAQL-SSDOTTSWSA-N 0 0 242.116 2.341 10 0 BEAERN OCCc1c(F)ccc(Br)c1F ZINC000075856846 183099995 /nfs/dbraw/zinc/09/99/95/183099995.db2.gz NTJJYQSRAOFJCB-UHFFFAOYSA-N 0 0 237.043 2.262 10 0 BEAERN OCCc1csc(-c2cccs2)n1 ZINC000019787933 183102208 /nfs/dbraw/zinc/10/22/08/183102208.db2.gz NYFZVHDKEBDYFE-UHFFFAOYSA-N 0 0 211.311 2.406 10 0 BEAERN CCCC[C@H](O)c1nc(C(=O)OC)cs1 ZINC000090426020 169013195 /nfs/dbraw/zinc/01/31/95/169013195.db2.gz IVFYBMALDRSGPE-QMMMGPOBSA-N 0 0 229.301 2.153 10 0 BEAERN CCCC[C@H](CC)c1n[nH]c(=S)n1N ZINC000020588225 169001714 /nfs/dbraw/zinc/00/17/14/169001714.db2.gz CZJOVQBOAKUCTM-ZETCQYMHSA-N 0 0 214.338 2.338 10 0 BEAERN OC[C@H](Nc1ccccc1)c1cccnc1 ZINC000038112864 183142538 /nfs/dbraw/zinc/14/25/38/183142538.db2.gz JAPVMFXXJQNYNO-ZDUSSCGKSA-N 0 0 214.268 2.227 10 0 BEAERN CCCCc1nc(Cl)c(N)c(=S)[nH]1 ZINC000039206909 169025916 /nfs/dbraw/zinc/02/59/16/169025916.db2.gz NVRWRVYLCNNCLH-UHFFFAOYSA-N 0 0 217.725 2.344 10 0 BEAERN CCCC[C@]1(O)C(=O)Nc2ccccc21 ZINC000034741334 169016102 /nfs/dbraw/zinc/01/61/02/169016102.db2.gz HDBHPVVUJVCFMG-GFCCVEGCSA-N 0 0 205.257 2.017 10 0 BEAERN CCCC[S@@](=O)c1nc2cc(N)ccc2[nH]1 ZINC000042196025 169016350 /nfs/dbraw/zinc/01/63/50/169016350.db2.gz YCBFDMPYKXAXNT-INIZCTEOSA-N 0 0 237.328 2.053 10 0 BEAERN CCCC[S@@](=O)c1c(F)cc(N)cc1F ZINC000042198678 169016805 /nfs/dbraw/zinc/01/68/05/169016805.db2.gz MKLYMZNEHDLCLM-HNNXBMFYSA-N 0 0 233.283 2.455 10 0 BEAERN CCCCn1nc(N)c(Cl)c1C(=O)OCC ZINC000020314073 169037503 /nfs/dbraw/zinc/03/75/03/169037503.db2.gz BGFFRKPRXYIKOP-UHFFFAOYSA-N 0 0 245.710 2.096 10 0 BEAERN OCc1c(Cl)nc(C2CC2)nc1Cl ZINC000066327944 183159957 /nfs/dbraw/zinc/15/99/57/183159957.db2.gz XVMOVSKQAQZKQT-UHFFFAOYSA-N 0 0 219.071 2.153 10 0 BEAERN O[C@@H](COc1ccccc1)c1ccco1 ZINC000026510469 183182600 /nfs/dbraw/zinc/18/26/00/183182600.db2.gz FWVULHHLFJNDJK-NSHDSACASA-N 0 0 204.225 2.392 10 0 BEAERN OCc1ccc(NCc2ccncc2)cc1 ZINC000083347826 183166060 /nfs/dbraw/zinc/16/60/60/183166060.db2.gz VJLVVTWUATYVDV-UHFFFAOYSA-N 0 0 214.268 2.186 10 0 BEAERN CCCN(C)C(=O)Cc1ccc(C)s1 ZINC000121853911 169052075 /nfs/dbraw/zinc/05/20/75/169052075.db2.gz GUXBVABXMUFCDP-UHFFFAOYSA-N 0 0 211.330 2.467 10 0 BEAERN OCc1cccc(N(CC(F)(F)F)C2CC2)n1 ZINC000051042321 183167439 /nfs/dbraw/zinc/16/74/39/183167439.db2.gz YFLVZMCZUUOVEZ-UHFFFAOYSA-N 0 0 246.232 2.105 10 0 BEAERN OCc1cccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)c1 ZINC000072236181 183167590 /nfs/dbraw/zinc/16/75/90/183167590.db2.gz AKPOFPARZKGFCH-SDSIWUNFSA-N 0 0 241.334 2.437 10 0 BEAERN OCc1cnc(C23CC4CC(CC(C4)C2)C3)nc1 ZINC000055270827 183169548 /nfs/dbraw/zinc/16/95/48/183169548.db2.gz MFBKWXNYDUULPG-UHFFFAOYSA-N 0 0 244.338 2.437 10 0 BEAERN OCc1cnc(COc2ccccc2)s1 ZINC000062201192 183169763 /nfs/dbraw/zinc/16/97/63/183169763.db2.gz YVECTCLAOMNCAO-UHFFFAOYSA-N 0 0 221.281 2.214 10 0 BEAERN OCc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000104441062 183170279 /nfs/dbraw/zinc/17/02/79/183170279.db2.gz TUXJTVGKLQBLAA-LLVKDONJSA-N 0 0 230.267 2.030 10 0 BEAERN O[C@@H](Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000109484485 183184861 /nfs/dbraw/zinc/18/48/61/183184861.db2.gz HHIHZMNRBAYCMO-NSHDSACASA-N 0 0 230.267 2.050 10 0 BEAERN ONc1ccccc1I ZINC000015043175 183173322 /nfs/dbraw/zinc/17/33/22/183173322.db2.gz WILXMBQRDXJYHW-UHFFFAOYSA-N 0 0 235.024 2.092 10 0 BEAERN O[C@@H](CCc1cccnc1)c1cccnc1 ZINC000062167200 183173625 /nfs/dbraw/zinc/17/36/25/183173625.db2.gz OQOZLQMLJYBPFA-ZDUSSCGKSA-N 0 0 214.268 2.143 10 0 BEAERN CC(C)(C)NC(=O)c1cc(N)c(F)cc1F ZINC000040292154 166626470 /nfs/dbraw/zinc/62/64/70/166626470.db2.gz JIEUEQHGBLMYDE-UHFFFAOYSA-N 0 0 228.242 2.075 10 0 BEAERN O[C@@H]1CCC[C@H]1Oc1cccc2c1NCCC2 ZINC000038056359 183199149 /nfs/dbraw/zinc/19/91/49/183199149.db2.gz JNECUULLKKOENU-VXGBXAGGSA-N 0 0 233.311 2.337 10 0 BEAERN O[C@@H](c1ccc2c(c1)CCO2)[C@H]1CCCCO1 ZINC000050971621 183185894 /nfs/dbraw/zinc/18/58/94/183185894.db2.gz UDJKTQRJLKSPGK-KGLIPLIRSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000035874671 183186112 /nfs/dbraw/zinc/18/61/12/183186112.db2.gz WIUXPYVCXUBMJO-AWEZNQCLSA-N 0 0 228.247 2.497 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ncc(Cl)cc1F ZINC000086710962 183194916 /nfs/dbraw/zinc/19/49/16/183194916.db2.gz PTGJJYXNXYQBJO-GMSGAONNSA-N 0 0 244.697 2.447 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ncccc1Cl ZINC000084233898 183195371 /nfs/dbraw/zinc/19/53/71/183195371.db2.gz QQNKGHAEHDWEGI-PSASIEDQSA-N 0 0 226.707 2.308 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ccnc(Cl)c1 ZINC000229733120 183195535 /nfs/dbraw/zinc/19/55/35/183195535.db2.gz RELSGOCXMGKACE-PSASIEDQSA-N 0 0 226.707 2.308 10 0 BEAERN CCCN(C)Cc1nc(N)ccc1Cl ZINC000061631099 169081389 /nfs/dbraw/zinc/08/13/89/169081389.db2.gz AKOVJHHIXULEKQ-UHFFFAOYSA-N 0 0 213.712 2.159 10 0 BEAERN O[C@H](Cc1cccc(F)c1F)C[C@@H]1CCCO1 ZINC000053783759 183227805 /nfs/dbraw/zinc/22/78/05/183227805.db2.gz CIIYGXMFVICACO-MNOVXSKESA-N 0 0 242.265 2.437 10 0 BEAERN O[C@H](c1ccc2c(c1)CCO2)[C@H]1CCCCO1 ZINC000050971623 183229344 /nfs/dbraw/zinc/22/93/44/183229344.db2.gz UDJKTQRJLKSPGK-ZIAGYGMSSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@H](c1ccc2c(c1)OCCO2)C1CCC1 ZINC000036160154 183229361 /nfs/dbraw/zinc/22/93/61/183229361.db2.gz ZXRUHRHOHMKDGR-ZDUSSCGKSA-N 0 0 220.268 2.291 10 0 BEAERN O[C@H](c1ccc2c(c1)OCO2)C(F)(F)F ZINC000084192246 183229458 /nfs/dbraw/zinc/22/94/58/183229458.db2.gz XSZZPMBWFISURW-MRVPVSSYSA-N 0 0 220.146 2.011 10 0 BEAERN O[C@@H](c1nc(-c2ccco2)no1)c1ccccc1 ZINC000104421289 183229639 /nfs/dbraw/zinc/22/96/39/183229639.db2.gz SLILSDLYBXUCIO-LLVKDONJSA-N 0 0 242.234 2.411 10 0 BEAERN O[C@H](c1cccnc1)c1c(F)cccc1F ZINC000064555234 183230482 /nfs/dbraw/zinc/23/04/82/183230482.db2.gz MRFPRLOKUONAII-GFCCVEGCSA-N 0 0 221.206 2.442 10 0 BEAERN CCCN(C)c1[nH+]c(C)cc(C)c1C(=O)[O-] ZINC000038010210 169090575 /nfs/dbraw/zinc/09/05/75/169090575.db2.gz MRJLVBKFPGJODO-UHFFFAOYSA-N 0 0 222.288 2.243 10 0 BEAERN O[C@@H]1COC[C@H]1Nc1cc(Cl)ccc1Cl ZINC000037874036 183211620 /nfs/dbraw/zinc/21/16/20/183211620.db2.gz IDESMBLWNFZUJP-NXEZZACHSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ccc(F)cc1F ZINC000037689918 183238237 /nfs/dbraw/zinc/23/82/37/183238237.db2.gz DWLZDWSDYYWWOK-MNOVXSKESA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1COC[C@@H]1Nc1cccc(Cl)c1Cl ZINC000037883734 183246605 /nfs/dbraw/zinc/24/66/05/183246605.db2.gz PIWKWTLLXQKNON-IUCAKERBSA-N 0 0 248.109 2.165 10 0 BEAERN CCCN(CC)C(=O)c1cccc(C)c1N ZINC000037094286 169119571 /nfs/dbraw/zinc/11/95/71/169119571.db2.gz ADCWTAJTVXLVLI-UHFFFAOYSA-N 0 0 220.316 2.449 10 0 BEAERN O[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000021994623 183249758 /nfs/dbraw/zinc/24/97/58/183249758.db2.gz NXZFGPQSDCEZFS-OLZOCXBDSA-N 0 0 214.268 2.104 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1ccnc(Cl)c1 ZINC000223599297 183234574 /nfs/dbraw/zinc/23/45/74/183234574.db2.gz BERLXAPYSLRNSQ-ZJUUUORDSA-N 0 0 226.707 2.450 10 0 BEAERN O[C@H]1CCC[C@@H]1Oc1cccc2c1NCCC2 ZINC000038056358 183236972 /nfs/dbraw/zinc/23/69/72/183236972.db2.gz JNECUULLKKOENU-RYUDHWBXSA-N 0 0 233.311 2.337 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1c(F)cccc1F ZINC000037690038 183237047 /nfs/dbraw/zinc/23/70/47/183237047.db2.gz NVEPABFYZQEWBQ-UWVGGRQHSA-N 0 0 213.227 2.290 10 0 BEAERN Oc1ccc(-c2nc(C3CC3)no2)cc1 ZINC000045894265 183264794 /nfs/dbraw/zinc/26/47/94/183264794.db2.gz GTDUQCCPBKFXPT-UHFFFAOYSA-N 0 0 202.213 2.320 10 0 BEAERN Oc1ccc(C2OCCO2)cc1Br ZINC000044229344 183268761 /nfs/dbraw/zinc/26/87/61/183268761.db2.gz WWWAJAPPWHAJOK-UHFFFAOYSA-N 0 0 245.072 2.200 10 0 BEAERN Oc1ccc(CNOCc2ccccc2)nc1 ZINC000083326975 183270069 /nfs/dbraw/zinc/27/00/69/183270069.db2.gz HGXCKWIBHGGJDJ-UHFFFAOYSA-N 0 0 230.267 2.009 10 0 BEAERN CCCN(CC)c1ccc(N)c2nonc21 ZINC000035675666 169134109 /nfs/dbraw/zinc/13/41/09/169134109.db2.gz AYAZMFQSGUYTLC-UHFFFAOYSA-N 0 0 220.276 2.041 10 0 BEAERN Oc1ccc(NC[C@H]2CCC=CO2)cc1 ZINC000050268955 183275787 /nfs/dbraw/zinc/27/57/87/183275787.db2.gz JUVDIKCLTKYLFI-GFCCVEGCSA-N 0 0 205.257 2.497 10 0 BEAERN Oc1ccc(NCc2ccccn2)cc1 ZINC000037131942 183276607 /nfs/dbraw/zinc/27/66/07/183276607.db2.gz MWVZFGXUCTUKOC-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 in-vitro BEAERN Oc1ccc(NCc2cncs2)cc1 ZINC000054771112 183276885 /nfs/dbraw/zinc/27/68/85/183276885.db2.gz QKLNAOLODMNYRP-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN Oc1ccc(OCCCc2c[nH]cn2)cc1 ZINC000013814520 183277340 /nfs/dbraw/zinc/27/73/40/183277340.db2.gz DPXSHZRULHXRAR-UHFFFAOYSA-N 0 0 218.256 2.127 10 0 BEAERN Oc1ccc2c(c1)[C@@H](Cc1c[nH]cn1)CC2 ZINC000003822129 183281754 /nfs/dbraw/zinc/28/17/54/183281754.db2.gz VTZPAJGVRWKMAG-SNVBAGLBSA-N 0 0 214.268 2.388 10 0 investigational BEAERN CCCN(CCC)C(=O)c1ccc(N)c(N)c1 ZINC000058267315 169145239 /nfs/dbraw/zinc/14/52/39/169145239.db2.gz FZKMZGJGEUQCGL-UHFFFAOYSA-N 0 0 235.331 2.113 10 0 BEAERN Oc1cc2c(cc1Br)OCC2 ZINC000034288011 183260356 /nfs/dbraw/zinc/26/03/56/183260356.db2.gz VSIXVCKSNOWMCY-UHFFFAOYSA-N 0 0 215.046 2.090 10 0 BEAERN Oc1cnc(C2CC2)c(OC(F)F)c1 ZINC000097758501 183305505 /nfs/dbraw/zinc/30/55/05/183305505.db2.gz DVHMUXMKZHLTKC-UHFFFAOYSA-N 0 0 201.172 2.266 10 0 BEAERN CCCN(Cc1ccccc1N)C(C)=O ZINC000035365075 169177071 /nfs/dbraw/zinc/17/70/71/169177071.db2.gz RXUGQOABRNCEPN-UHFFFAOYSA-N 0 0 206.289 2.027 10 0 BEAERN Oc1ccccc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000111686945 183300804 /nfs/dbraw/zinc/30/08/04/183300804.db2.gz PCZIMWGWVHFLJD-VIFPVBQESA-N 0 0 246.266 2.164 10 0 BEAERN CCCN(CCO)c1ccc2ccccc2n1 ZINC000042453440 169168662 /nfs/dbraw/zinc/16/86/62/169168662.db2.gz ZPDTUHQSZZNAGM-UHFFFAOYSA-N 0 0 230.311 2.444 10 0 BEAERN O=c1cc[nH]c(NCc2cccs2)c1 ZINC000083344677 183304621 /nfs/dbraw/zinc/30/46/21/183304621.db2.gz NFAIYFIOOXZFFW-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN O=C1CSC(=C(F)C(F)(F)F)N1 ZINC000006526108 183305041 /nfs/dbraw/zinc/30/50/41/183305041.db2.gz OEWVJYHHPDJTPH-VKHMYHEASA-N 0 0 201.144 2.422 10 0 BEAERN O=c1cc[nH]c2cc(-c3ccccc3)nn21 ZINC000100096211 183305055 /nfs/dbraw/zinc/30/50/55/183305055.db2.gz WDKRYHPLUZKKHU-UHFFFAOYSA-N 0 0 211.224 2.102 10 0 BEAERN [O-][n+]1cccc2c(Br)cccc21 ZINC000040544591 183318305 /nfs/dbraw/zinc/31/83/05/183318305.db2.gz UBIMLGHWCOSFDK-UHFFFAOYSA-N 0 0 224.057 2.236 10 0 BEAERN c1c[nH]c(CNc2ccc(-n3nccn3)cc2)c1 ZINC000051788992 183325070 /nfs/dbraw/zinc/32/50/70/183325070.db2.gz RRSYOTQFGAVXSJ-UHFFFAOYSA-N 0 0 239.282 2.208 10 0 BEAERN c1c[nH]c(CNc2ccc(-c3cc[nH]n3)cc2)n1 ZINC000049715297 183325455 /nfs/dbraw/zinc/32/54/55/183325455.db2.gz NCTKKHFRUQNIHR-UHFFFAOYSA-N 0 0 239.282 2.412 10 0 BEAERN c1c[nH]c(CNc2ccc3c(c2)OCCO3)c1 ZINC000051787961 183326121 /nfs/dbraw/zinc/32/61/21/183326121.db2.gz MDPKUTMXGGSFRK-UHFFFAOYSA-N 0 0 230.267 2.398 10 0 BEAERN O=c1[nH]nc(-c2ccc[nH]2)cc1C(F)(F)F ZINC000043464354 183309359 /nfs/dbraw/zinc/30/93/59/183309359.db2.gz LGIGCGGKAPJMNN-UHFFFAOYSA-N 0 0 229.161 2.196 10 0 BEAERN CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121554176 169210671 /nfs/dbraw/zinc/21/06/71/169210671.db2.gz FTDAVDPQUTWOAC-ZWNOBZJWSA-N 0 0 241.281 2.483 10 0 BEAERN CCCNC(=O)Cc1cnc2ccccc2c1 ZINC000118755441 169233464 /nfs/dbraw/zinc/23/34/64/169233464.db2.gz LSZAWGPUDNXPJU-UHFFFAOYSA-N 0 0 228.295 2.304 10 0 BEAERN CCCNC(=S)NC(=O)/C=C/c1ccccc1 ZINC000013985950 169254761 /nfs/dbraw/zinc/25/47/61/169254761.db2.gz YUWNUNMUQORGKH-CMDGGOBGSA-N 0 0 248.351 2.101 10 0 BEAERN CCCNC(=O)N(CCC)C[C@@H]1CCCCO1 ZINC000106511609 169234379 /nfs/dbraw/zinc/23/43/79/169234379.db2.gz TUDQRJVMKPKGOX-LBPRGKRZSA-N 0 0 242.363 2.387 10 0 BEAERN CCCNC(=O)Nc1cc(N)c(F)cc1F ZINC000036744310 169239576 /nfs/dbraw/zinc/23/95/76/169239576.db2.gz WCCMUIMJUJDWEG-UHFFFAOYSA-N 0 0 229.230 2.079 10 0 BEAERN CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)=O ZINC000020385179 169242475 /nfs/dbraw/zinc/24/24/75/169242475.db2.gz NFLJJRVQVAILKV-LLVKDONJSA-N 0 0 249.310 2.183 10 0 BEAERN CCC[NH2+][C@@](C)(CCc1ccccc1)C(=O)[O-] ZINC000037182389 169284386 /nfs/dbraw/zinc/28/43/86/169284386.db2.gz GQZUOXPYZUTXQI-AWEZNQCLSA-N 0 0 235.327 2.462 10 0 BEAERN c1nnsc1NCCc1ccccc1 ZINC000083344416 183394585 /nfs/dbraw/zinc/39/45/85/183394585.db2.gz ZZGPESVAUXIQNV-UHFFFAOYSA-N 0 0 205.286 2.193 10 0 BEAERN c1ccc(CONCC2CCOCC2)cc1 ZINC000083020633 183407221 /nfs/dbraw/zinc/40/72/21/183407221.db2.gz ZHBIDKFKWZYSNG-UHFFFAOYSA-N 0 0 221.300 2.134 10 0 BEAERN CCCN[C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000037459135 169283884 /nfs/dbraw/zinc/28/38/84/169283884.db2.gz SOBOPYWZHRSMFA-CYBMUJFWSA-N 0 0 239.290 2.214 10 0 BEAERN CCCOC(=O)c1c[nH]c2cc(N)ccc12 ZINC000041046574 169301053 /nfs/dbraw/zinc/30/10/53/169301053.db2.gz BCIWHYVHDSYYNS-UHFFFAOYSA-N 0 0 218.256 2.317 10 0 BEAERN CCCOC(=O)c1cccc(NC(C)=O)c1 ZINC000005597518 169301825 /nfs/dbraw/zinc/30/18/25/169301825.db2.gz XFVXOBJGDXETEY-UHFFFAOYSA-N 0 0 221.256 2.212 10 0 BEAERN CCCOCC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110442057 169305079 /nfs/dbraw/zinc/30/50/79/169305079.db2.gz YBRKJGLMJVBVBD-KBPBESRZSA-N 0 0 247.338 2.333 10 0 BEAERN CCCOCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110442054 169306016 /nfs/dbraw/zinc/30/60/16/169306016.db2.gz YBRKJGLMJVBVBD-ZIAGYGMSSA-N 0 0 247.338 2.333 10 0 BEAERN CCCOCCC(=O)N(C)c1cccc(N)c1 ZINC000054434075 169309318 /nfs/dbraw/zinc/30/93/18/169309318.db2.gz QAYZKNARQDYLIH-UHFFFAOYSA-N 0 0 236.315 2.048 10 0 BEAERN CCCO[C@H](C)C(=O)Nc1ccc(N)cc1C ZINC000037024676 169311738 /nfs/dbraw/zinc/31/17/38/169311738.db2.gz WYZHOJICJHPHOJ-SNVBAGLBSA-N 0 0 236.315 2.331 10 0 BEAERN CCCNc1cc(C(=O)NC)c2ccccc2n1 ZINC000050725884 169293524 /nfs/dbraw/zinc/29/35/24/169293524.db2.gz WCWNBPHYZJQWLF-UHFFFAOYSA-N 0 0 243.310 2.416 10 0 BEAERN CCCNc1ccc(N2CCNC2=O)cc1 ZINC000037076246 169294577 /nfs/dbraw/zinc/29/45/77/169294577.db2.gz BRTOFVQASLODFC-UHFFFAOYSA-N 0 0 219.288 2.038 10 0 BEAERN CCCNc1cccc(C(=O)N[C@@H]2C[C@H]2C)n1 ZINC000052303673 169294710 /nfs/dbraw/zinc/29/47/10/169294710.db2.gz ZSASQBJSCDJPLL-MWLCHTKSSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1cccc(C(=O)NCC(C)C)n1 ZINC000051069237 169295252 /nfs/dbraw/zinc/29/52/52/169295252.db2.gz GTVHBXZRBOOYDY-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN CCCNc1ccnc(-c2ccccn2)n1 ZINC000050863927 169295510 /nfs/dbraw/zinc/29/55/10/169295510.db2.gz OVHRUTIBPTZFRK-UHFFFAOYSA-N 0 0 214.272 2.361 10 0 BEAERN CCCNc1nc(C)ncc1Br ZINC000045921715 169295569 /nfs/dbraw/zinc/29/55/69/169295569.db2.gz CAHQJGFNYODURV-UHFFFAOYSA-N 0 0 230.109 2.369 10 0 BEAERN CCCNc1ccnc(Cc2ccccn2)n1 ZINC000050863908 169295812 /nfs/dbraw/zinc/29/58/12/169295812.db2.gz KYWDHSSOBHVEHL-UHFFFAOYSA-N 0 0 228.299 2.284 10 0 BEAERN CCCNc1ncccc1C(=O)N(CC)CC ZINC000050724651 169296434 /nfs/dbraw/zinc/29/64/34/169296434.db2.gz XDDPIICYOQXYMK-UHFFFAOYSA-N 0 0 235.331 2.386 10 0 BEAERN CCCNc1ncc(N)cc1Br ZINC000036244901 169296736 /nfs/dbraw/zinc/29/67/36/169296736.db2.gz WZINLWIIDYPRSI-UHFFFAOYSA-N 0 0 230.109 2.248 10 0 BEAERN c1ccc2c(c1)OCC[C@@H]2Nc1cnccn1 ZINC000047915300 183452652 /nfs/dbraw/zinc/45/26/52/183452652.db2.gz ATLDPSWLCYVVRU-NSHDSACASA-N 0 0 227.267 2.412 10 0 BEAERN CCCOc1ccc([C@H](O)c2ncccn2)cc1 ZINC000055262978 169322207 /nfs/dbraw/zinc/32/22/07/169322207.db2.gz IYERCTPUEYUQSD-ZDUSSCGKSA-N 0 0 244.294 2.347 10 0 BEAERN CCCOc1cccc([C@H](O)c2nccn2C)c1 ZINC000061668353 169326244 /nfs/dbraw/zinc/32/62/44/169326244.db2.gz PSTUEQKOJYLPMG-ZDUSSCGKSA-N 0 0 246.310 2.291 10 0 BEAERN CCCOc1nc(N2C[C@H]3CC[C@@H]2C3)ccc1N ZINC000049716115 169328432 /nfs/dbraw/zinc/32/84/32/169328432.db2.gz AKOPMROLDKLPDT-WDEREUQCSA-N 0 0 247.342 2.441 10 0 BEAERN CCCS(=O)(=O)Nc1c(N)ccc(C)c1C ZINC000036743113 169334183 /nfs/dbraw/zinc/33/41/83/169334183.db2.gz VWEQFEOWQQPGRU-UHFFFAOYSA-N 0 0 242.344 2.037 10 0 BEAERN c1ccc2c(c1)N=C1C3CCN(CC3)[C@@H]1CN2 ZINC000033865031 183451567 /nfs/dbraw/zinc/45/15/67/183451567.db2.gz QKCACOBMNYBGJV-CYBMUJFWSA-N 0 0 227.311 2.279 10 0 BEAERN c1cnc(Nc2nc3ccccc3[nH]2)nc1 ZINC000008705471 183482785 /nfs/dbraw/zinc/48/27/85/183482785.db2.gz BZXOZYIWSOVIMD-UHFFFAOYSA-N 0 0 211.228 2.097 10 0 BEAERN CCC[C@@H](C)C(=O)N(C)c1ccncc1N ZINC000042140715 169347077 /nfs/dbraw/zinc/34/70/77/169347077.db2.gz NJFLCMRIRWTOCS-SECBINFHSA-N 0 0 221.304 2.063 10 0 BEAERN CCC[C@@H](C)C(=O)Nc1cc(C)c(N)cn1 ZINC000041040560 169353286 /nfs/dbraw/zinc/35/32/86/169353286.db2.gz KDNHPNFWOWYTHW-MRVPVSSYSA-N 0 0 221.304 2.347 10 0 BEAERN CCC[C@@H](NC1(C(C)C)CC1)C(=O)OCC ZINC000339503686 169399996 /nfs/dbraw/zinc/39/99/96/169399996.db2.gz DZCJZNUQJCULKR-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000180677613 134330796 /nfs/dbraw/zinc/33/07/96/134330796.db2.gz QDQJJVCQSNGDSW-GHMZBOCLSA-N 0 0 225.332 2.108 10 0 BEAERN c1nnc(NCc2scnc2C2CC2)o1 ZINC000308973472 183551645 /nfs/dbraw/zinc/55/16/45/183551645.db2.gz FWTUYEPEAMPDHC-UHFFFAOYSA-N 0 0 222.273 2.016 10 0 BEAERN CCC[C@@H]1C[C@](C)(OC(C)=O)CCO1 ZINC000039090696 169443406 /nfs/dbraw/zinc/44/34/06/169443406.db2.gz GURYYNWDVKXZAT-GHMZBOCLSA-N 0 0 200.278 2.287 10 0 endogenous,in-man BEAERN CC(C)(C)OC(=O)N1CCC[C@@]12CCOC2 ZINC000307139708 166649213 /nfs/dbraw/zinc/64/92/13/166649213.db2.gz AVVAZDLAOZLWRW-LBPRGKRZSA-N 0 0 227.304 2.176 10 0 BEAERN CCC[C@H](C)NC1N=NC(=S)S1 ZINC000020581507 169494716 /nfs/dbraw/zinc/49/47/16/169494716.db2.gz CUHFZSLYLGYZMQ-YFKPBYRVSA-N 0 0 203.336 2.427 10 0 BEAERN CCC[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032011959 169521219 /nfs/dbraw/zinc/52/12/19/169521219.db2.gz KYESWGSIFSFRSZ-JTQLQIEISA-N 0 0 208.257 2.291 10 0 BEAERN CCC[C@H]1CCC(=O)[C@@H](CCS(C)(=O)=O)C1 ZINC000044468894 169523515 /nfs/dbraw/zinc/52/35/15/169523515.db2.gz HEUDDSSGKWCFPV-QWRGUYRKSA-N 0 0 246.372 2.207 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cnn(C)c(=O)c1Cl ZINC000231662274 169538575 /nfs/dbraw/zinc/53/85/75/169538575.db2.gz APNFHTJGTJNRTB-JGVFFNPUSA-N 0 0 241.722 2.034 10 0 BEAERN CCCc1cc(NC(=O)c2ccoc2)n[nH]1 ZINC000109912683 169567018 /nfs/dbraw/zinc/56/70/18/169567018.db2.gz ISEPGWVUGYFQBE-UHFFFAOYSA-N 0 0 219.244 2.208 10 0 BEAERN CCCc1noc(Cc2ccccc2N)n1 ZINC000053200663 169604648 /nfs/dbraw/zinc/60/46/48/169604648.db2.gz XWXDDYLHCCOMRE-UHFFFAOYSA-N 0 0 217.272 2.195 10 0 BEAERN CCCn1c(C)nnc1-c1cccc(N)c1 ZINC000042030500 169612348 /nfs/dbraw/zinc/61/23/48/169612348.db2.gz LXVISOUENOTDPD-UHFFFAOYSA-N 0 0 216.288 2.246 10 0 BEAERN OC[C@H](O)CSCC1CCCCCC1 ZINC000183890166 134356870 /nfs/dbraw/zinc/35/68/70/134356870.db2.gz ARNKIEZBBLCVHC-NSHDSACASA-N 0 0 218.362 2.043 10 0 BEAERN CCCn1c(=O)c2[nH]c(C)cc2nc1SC ZINC000073665658 169613940 /nfs/dbraw/zinc/61/39/40/169613940.db2.gz GNXSUNWLTYQEJB-UHFFFAOYSA-N 0 0 237.328 2.165 10 0 BEAERN CCCn1cc(N)cc1C(=O)N(C)[C@@H](C)CC ZINC000036862822 169620088 /nfs/dbraw/zinc/62/00/88/169620088.db2.gz DPPOJMTXJOYOQZ-JTQLQIEISA-N 0 0 237.347 2.351 10 0 BEAERN CCN(C(=O)c1cccc(F)c1NC)C1CC1 ZINC000054207211 169658368 /nfs/dbraw/zinc/65/83/68/169658368.db2.gz MLYZXMMENSOLKX-UHFFFAOYSA-N 0 0 236.290 2.492 10 0 BEAERN CO[C@@H](C)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000227943656 259634811 /nfs/dbraw/zinc/63/48/11/259634811.db2.gz VZZNMWUWJNBEKB-MNOVXSKESA-N 0 0 221.300 2.207 10 0 BEAERN Brc1nccc(N2CCCCC2)n1 ZINC000072192675 532980799 /nfs/dbraw/zinc/98/07/99/532980799.db2.gz QQBSDZQNDZMCLT-UHFFFAOYSA-N 0 0 242.120 2.229 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000185404521 134379505 /nfs/dbraw/zinc/37/95/05/134379505.db2.gz JPHAUMUEEMHYTK-SDDRHHMPSA-N 0 0 227.348 2.304 10 0 BEAERN CCC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000301003910 383828233 /nfs/dbraw/zinc/82/82/33/383828233.db2.gz WHOQPQUZYHOXMD-DTWKUNHWSA-N 0 0 235.274 2.265 10 0 BEAERN CC[C@H](O)CCCNC(=O)[C@@H]1CCC[C@@H]1C ZINC000344995625 383822763 /nfs/dbraw/zinc/82/27/63/383822763.db2.gz SBJSTVOLZPSYRU-SDDRHHMPSA-N 0 0 227.348 2.090 10 0 BEAERN N#Cc1cc(F)c(CO)c(OC(F)(F)F)c1 ZINC000575647600 383823672 /nfs/dbraw/zinc/82/36/72/383823672.db2.gz MKHWVFNLVVZFHH-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CC[C@@H](NC(=O)c1ccc(F)nc1)C(C)C ZINC000069632854 383839062 /nfs/dbraw/zinc/83/90/62/383839062.db2.gz GGOQWNPUUFHQHJ-SNVBAGLBSA-N 0 0 224.279 2.385 10 0 BEAERN COc1cc(C(F)(F)F)cc(CO)c1C#N ZINC000575648115 383874079 /nfs/dbraw/zinc/87/40/79/383874079.db2.gz KIYYEYFNBBOBGW-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCOc1ccc(-c2cc(N)nc(C)n2)cc1 ZINC000071534061 383874776 /nfs/dbraw/zinc/87/47/76/383874776.db2.gz ABHJMJBLNAYNAZ-UHFFFAOYSA-N 0 0 229.283 2.433 10 0 BEAERN Cc1nc(N)cc(-c2ccc(F)c(F)c2)n1 ZINC000071522793 383876292 /nfs/dbraw/zinc/87/62/92/383876292.db2.gz CKEQZEVLGXVZPB-UHFFFAOYSA-N 0 0 221.210 2.312 10 0 BEAERN Cc1cnc(C)c(NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000088058039 383877068 /nfs/dbraw/zinc/87/70/68/383877068.db2.gz WYHBYWQMEDFACF-RYUDHWBXSA-N 0 0 235.331 2.056 10 0 BEAERN CCc1cc(N[C@H](C)[C@@H]2CCCO2)nc(C)n1 ZINC000088058392 383877479 /nfs/dbraw/zinc/87/74/79/383877479.db2.gz MDQACBYULZRCBP-SKDRFNHKSA-N 0 0 235.331 2.327 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)NC(C)C)o1 ZINC000047464138 383833654 /nfs/dbraw/zinc/83/36/54/383833654.db2.gz DBXXCULVOOFZRT-SECBINFHSA-N 0 0 210.277 2.357 10 0 BEAERN CSc1ccc(C(=O)N[C@@H]2C[C@H]2C)o1 ZINC000112285670 383910630 /nfs/dbraw/zinc/91/06/30/383910630.db2.gz JPUQJXHHYOSLQO-RNFRBKRXSA-N 0 0 211.286 2.140 10 0 BEAERN Cc1nc(CN2[C@H](C)COC[C@H]2C)sc1C ZINC000088601514 383915374 /nfs/dbraw/zinc/91/53/74/383915374.db2.gz ZVSYHOBKWBCOOM-RKDXNWHRSA-N 0 0 240.372 2.369 10 0 BEAERN CCCn1ncnc1CN[C@@H](C)c1ccc(C)o1 ZINC000088589956 383916253 /nfs/dbraw/zinc/91/62/53/383916253.db2.gz OWPRILQBSLWNDK-NSHDSACASA-N 0 0 248.330 2.440 10 0 BEAERN Cc1nc(CN2[C@H](C)COC[C@@H]2C)sc1C ZINC000088601511 383916427 /nfs/dbraw/zinc/91/64/27/383916427.db2.gz ZVSYHOBKWBCOOM-DTORHVGOSA-N 0 0 240.372 2.369 10 0 BEAERN Cc1ccc([C@H](C)NCc2ccnn2C)o1 ZINC000036960551 383925044 /nfs/dbraw/zinc/92/50/44/383925044.db2.gz ABNPPRJSEJEFLF-JTQLQIEISA-N 0 0 219.288 2.172 10 0 BEAERN C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1cccc(O)c1 ZINC000112460144 383927294 /nfs/dbraw/zinc/92/72/94/383927294.db2.gz LGZJKACSOTWYLU-HOTUBEGUSA-N 0 0 234.299 2.161 10 0 BEAERN CN(CC(F)(F)F)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000336436778 383885991 /nfs/dbraw/zinc/88/59/91/383885991.db2.gz FINNFHCIVYFZMX-YUMQZZPRSA-N 0 0 236.237 2.085 10 0 BEAERN N#Cc1cc(F)c(CO)c(C(F)(F)F)c1 ZINC000575645310 383888799 /nfs/dbraw/zinc/88/87/99/383888799.db2.gz GJEIQSSMXUDQRW-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CC[C@@H](NC(=O)Cc1ccccc1O)C(C)C ZINC000112022408 383892569 /nfs/dbraw/zinc/89/25/69/383892569.db2.gz AQIXHLYPHGANFL-GFCCVEGCSA-N 0 0 235.327 2.486 10 0 BEAERN COc1cc(C#N)c(OC(F)(F)F)c(C=O)c1 ZINC000575648447 383899435 /nfs/dbraw/zinc/89/94/35/383899435.db2.gz NOKMWFJWGIPZSV-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN Nc1cnnn1-c1cccc2ccccc21 ZINC000068576837 383999466 /nfs/dbraw/zinc/99/94/66/383999466.db2.gz BMCOKCKNGPYJDS-UHFFFAOYSA-N 0 0 210.240 2.003 10 0 BEAERN Cn1c2ccccc2nc1NC[C@@H]1CCC[C@@H]1O ZINC000089167087 383938932 /nfs/dbraw/zinc/93/89/32/383938932.db2.gz MPKXTTXHRGJOHB-GWCFXTLKSA-N 0 0 245.326 2.146 10 0 BEAERN COC(=O)c1cccc2[nH]nc(Cl)c21 ZINC000089195815 383940925 /nfs/dbraw/zinc/94/09/25/383940925.db2.gz FGXVSBQFWFASOH-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN CC(=O)Oc1cc(C)c2[nH]c(C(C)=O)nc2c1C ZINC000089194998 383941975 /nfs/dbraw/zinc/94/19/75/383941975.db2.gz LNOCPBJFQHLWOO-UHFFFAOYSA-N 0 0 246.266 2.308 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(N)cc1O ZINC000089194934 383942181 /nfs/dbraw/zinc/94/21/81/383942181.db2.gz XEZANUIBRBFOCA-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN Nc1cc2c[nH]nc2cc1C(F)(F)F ZINC000089197135 383944381 /nfs/dbraw/zinc/94/43/81/383944381.db2.gz MHRNJCQQTAOQEH-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN Nc1cccc(C(=O)c2cn3ccccc3n2)c1 ZINC000089200931 383944923 /nfs/dbraw/zinc/94/49/23/383944923.db2.gz AQLSXOCECZVZGH-UHFFFAOYSA-N 0 0 237.262 2.148 10 0 BEAERN O=C1NCc2c1c(Cl)ccc2Cl ZINC000089211202 383947223 /nfs/dbraw/zinc/94/72/23/383947223.db2.gz ASMYKHRMDUGONA-UHFFFAOYSA-N 0 0 202.040 2.237 10 0 BEAERN CCc1ccc(C#N)c([N+](=O)[O-])c1OC ZINC000575649051 383949083 /nfs/dbraw/zinc/94/90/83/383949083.db2.gz SSWHHNXJXZFDSS-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN FC(F)(F)Oc1ccc2[nH]ccc2n1 ZINC000089221280 383949299 /nfs/dbraw/zinc/94/92/99/383949299.db2.gz VIYQWWDBOJVQPY-UHFFFAOYSA-N 0 0 202.135 2.462 10 0 BEAERN CCc1cc(C=O)cc(C(C)=O)c1C#N ZINC000575645420 383950064 /nfs/dbraw/zinc/95/00/64/383950064.db2.gz IIDIRFFSTBULCA-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN S=c1[nH]cnc2n[nH]c(-c3ccccc3)c21 ZINC000089222742 383950126 /nfs/dbraw/zinc/95/01/26/383950126.db2.gz NYEFJRBFFABMIT-UHFFFAOYSA-N 0 0 228.280 2.309 10 0 BEAERN Nc1ncnc2c1[C@H](c1ccccc1)N=N2 ZINC000089223070 383951508 /nfs/dbraw/zinc/95/15/08/383951508.db2.gz JHLHPYIGVOQROU-VIFPVBQESA-N 0 0 211.228 2.246 10 0 BEAERN N#Cc1ccc(CO)c(F)c1OC(F)(F)F ZINC000575648974 383954934 /nfs/dbraw/zinc/95/49/34/383954934.db2.gz RYYPHFUPNRJUCB-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ncnc(F)c2F)C1 ZINC000113076188 383966748 /nfs/dbraw/zinc/96/67/48/383966748.db2.gz AADDWXPHQWZLJM-OCAPTIKFSA-N 0 0 227.258 2.237 10 0 BEAERN CCN(C)c1cnn(-c2ccccc2)c1 ZINC000003631677 384020963 /nfs/dbraw/zinc/02/09/63/384020963.db2.gz GDIRHOSIWSOUQN-UHFFFAOYSA-N 0 0 201.273 2.328 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1nsnc1Cl ZINC000050376719 384011626 /nfs/dbraw/zinc/01/16/26/384011626.db2.gz NZDWZIMOSOKOKS-WDSKDSINSA-N 0 0 233.724 2.171 10 0 BEAERN O=C1C[C@H](c2cccc(F)c2)SCCN1 ZINC000090397246 384045666 /nfs/dbraw/zinc/04/56/66/384045666.db2.gz MNMHEYGFMZDNRO-SNVBAGLBSA-N 0 0 225.288 2.120 10 0 BEAERN Cc1noc(C)c1-c1nc(C=O)cs1 ZINC000037974079 384047322 /nfs/dbraw/zinc/04/73/22/384047322.db2.gz KNWWGRSXTWZWLO-UHFFFAOYSA-N 0 0 208.242 2.227 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)nc1 ZINC000074225041 384031620 /nfs/dbraw/zinc/03/16/20/384031620.db2.gz HWBIFPUASYOWFJ-WPRPVWTQSA-N 0 0 222.263 2.139 10 0 BEAERN Cc1cc(CO)c(C#N)c(C(F)(F)F)c1 ZINC000575650273 384031882 /nfs/dbraw/zinc/03/18/82/384031882.db2.gz WCYQDJCBFABONR-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN N#Cc1c(C(F)(F)F)ccc(F)c1CO ZINC000575650461 384040527 /nfs/dbraw/zinc/04/05/27/384040527.db2.gz YRVXUEGXTJLYLC-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCOc1ccc(OCC)c(C#N)c1O ZINC000575650491 384040619 /nfs/dbraw/zinc/04/06/19/384040619.db2.gz OMLXABSENYCRJD-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000644907327 384085515 /nfs/dbraw/zinc/08/55/15/384085515.db2.gz JZIKZOSJTKKJBB-MNOVXSKESA-N 0 0 241.375 2.478 10 0 BEAERN COc1c[nH]c(=O)c2cccc(Cl)c12 ZINC000091692532 384063539 /nfs/dbraw/zinc/06/35/39/384063539.db2.gz VXGSYGILMSFHCY-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN CCN(C(=O)CCOC)[C@@H](C)c1cccnc1 ZINC000115223662 384073656 /nfs/dbraw/zinc/07/36/56/384073656.db2.gz ZQLFPTGEVIIHPU-NSHDSACASA-N 0 0 236.315 2.028 10 0 BEAERN CC[C@@H](NC(=O)c1ccncc1F)C(C)C ZINC000078095901 384074261 /nfs/dbraw/zinc/07/42/61/384074261.db2.gz KOZFKLJRQYGVGP-LLVKDONJSA-N 0 0 224.279 2.385 10 0 BEAERN FC(F)COc1cncc(Br)c1 ZINC000070043635 384075221 /nfs/dbraw/zinc/07/52/21/384075221.db2.gz JOQKVXDQQJZDKN-UHFFFAOYSA-N 0 0 238.031 2.488 10 0 BEAERN Cc1cccc([C@@H]2Cc3n[nH]cc3[C@H](O)C2)c1 ZINC000072415146 384099172 /nfs/dbraw/zinc/09/91/72/384099172.db2.gz YIOZUUUIVBBTSO-BXUZGUMPSA-N 0 0 228.295 2.482 10 0 BEAERN Cn1cc([C@H]2CCN(C(=O)CC(C)(C)C)C2)cn1 ZINC000116113022 384118086 /nfs/dbraw/zinc/11/80/86/384118086.db2.gz XJAAGHWEQHQNFG-NSHDSACASA-N 0 0 249.358 2.172 10 0 BEAERN CCO[C@@H]1Cc2c(cc(C)c(O)c2C)O1 ZINC000039099609 384104078 /nfs/dbraw/zinc/10/40/78/384104078.db2.gz ODDHHKRJOUZEFL-NSHDSACASA-N 0 0 208.257 2.307 10 0 BEAERN Cn1ncc2c1C[C@@H](c1cccs1)C[C@@H]2O ZINC000072415845 384108197 /nfs/dbraw/zinc/10/81/97/384108197.db2.gz CKNVSURUJLVAMN-KCJUWKMLSA-N 0 0 234.324 2.245 10 0 BEAERN Cc1cccc([C@H]2Cc3c(cnn3C)[C@H](O)C2)c1 ZINC000072415817 384108341 /nfs/dbraw/zinc/10/83/41/384108341.db2.gz SAMSIFVMZDUBIR-SWLSCSKDSA-N 0 0 242.322 2.492 10 0 BEAERN Cn1ncc2c1C[C@@H](c1ccccc1)C[C@@H]2O ZINC000072415825 384108560 /nfs/dbraw/zinc/10/85/60/384108560.db2.gz SFYKMSYDJWVWTH-RISCZKNCSA-N 0 0 228.295 2.184 10 0 BEAERN Cc1cccc([C@@H]2Cc3c(cnn3C)[C@@H](O)C2)c1 ZINC000072415818 384108693 /nfs/dbraw/zinc/10/86/93/384108693.db2.gz SAMSIFVMZDUBIR-DOMZBBRYSA-N 0 0 242.322 2.492 10 0 BEAERN Cn1ncc2c1C[C@H](c1cccs1)C[C@H]2O ZINC000072415846 384108793 /nfs/dbraw/zinc/10/87/93/384108793.db2.gz CKNVSURUJLVAMN-GZMMTYOYSA-N 0 0 234.324 2.245 10 0 BEAERN Brc1noc([C@H]2CCCS2)n1 ZINC000156583045 384111132 /nfs/dbraw/zinc/11/11/32/384111132.db2.gz WHXMRQVLECDCNT-SCSAIBSYSA-N 0 0 235.106 2.400 10 0 BEAERN C[C@@H](c1nc(Br)no1)C1CC1 ZINC000156581123 384111473 /nfs/dbraw/zinc/11/14/73/384111473.db2.gz QTLYHNHLQJOVGZ-SCSAIBSYSA-N 0 0 217.066 2.346 10 0 BEAERN O=C1NC[C@H](Cc2ccccc2)n2cccc21 ZINC000091301803 384115174 /nfs/dbraw/zinc/11/51/74/384115174.db2.gz KXPYIPFDZQQZOV-LBPRGKRZSA-N 0 0 226.279 2.015 10 0 BEAERN CCCCCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116118051 384117100 /nfs/dbraw/zinc/11/71/00/384117100.db2.gz UPWGQGGJCWOOJS-GFCCVEGCSA-N 0 0 249.358 2.316 10 0 BEAERN Fc1ccc(Cc2nc(Cl)n[nH]2)cc1 ZINC000070584177 384121661 /nfs/dbraw/zinc/12/16/61/384121661.db2.gz RWFVFQCXNSPGOK-UHFFFAOYSA-N 0 0 211.627 2.188 10 0 BEAERN Clc1ccnc(OC2CCOCC2)c1 ZINC000091366049 384123576 /nfs/dbraw/zinc/12/35/76/384123576.db2.gz QOWHTYALWRPBFQ-UHFFFAOYSA-N 0 0 213.664 2.293 10 0 BEAERN O=C([O-])[C@@H]1C[N@@H+](C2CCCCC2)C[C@H]1C1CC1 ZINC000091409870 384124851 /nfs/dbraw/zinc/12/48/51/384124851.db2.gz CATVCPSIRWPRIV-QWHCGFSZSA-N 0 0 237.343 2.362 10 0 BEAERN CCc1cc(CO)c(O)c(OC(F)F)c1 ZINC000575653357 384127407 /nfs/dbraw/zinc/12/74/07/384127407.db2.gz FRRUPQRWTZHIPK-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)C1=CCCCCC1 ZINC000336579076 384172253 /nfs/dbraw/zinc/17/22/53/384172253.db2.gz YXCLNYJHTQQTDI-JQWIXIFHSA-N 0 0 223.316 2.171 10 0 BEAERN Cn1cc(CCCO)c2cccc(F)c21 ZINC000071491898 384169627 /nfs/dbraw/zinc/16/96/27/384169627.db2.gz HEOCTVXZHMTFOA-UHFFFAOYSA-N 0 0 207.248 2.242 10 0 BEAERN CCc1c(C)c(OC)ccc1C(=O)OC ZINC000117644982 384179245 /nfs/dbraw/zinc/17/92/45/384179245.db2.gz UVEQPVDBXNKWGO-UHFFFAOYSA-N 0 0 208.257 2.353 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(F)ccc1OC ZINC000092457461 384179639 /nfs/dbraw/zinc/17/96/39/384179639.db2.gz FJDARGGVCJYOMC-QMMMGPOBSA-N 0 0 241.262 2.055 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(F)ccc1OC ZINC000092457462 384180159 /nfs/dbraw/zinc/18/01/59/384180159.db2.gz FJDARGGVCJYOMC-MRVPVSSYSA-N 0 0 241.262 2.055 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(Cc2cc(F)ccc2F)C1 ZINC000334744954 384201017 /nfs/dbraw/zinc/20/10/17/384201017.db2.gz BMPSLJKDFCONDO-BXKDBHETSA-N 0 0 241.281 2.168 10 0 BEAERN N#Cc1cc(F)c(OC(F)(F)F)c(C=O)c1 ZINC000575645968 384189477 /nfs/dbraw/zinc/18/94/77/384189477.db2.gz GJSMTFPRZQTLNN-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCc1cc(C#N)c(C(N)=O)c(C(F)(F)F)c1 ZINC000575646016 384189482 /nfs/dbraw/zinc/18/94/82/384189482.db2.gz DWRITAKHGGRIMQ-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCCCNc1nc(C(C)C)cc(=O)[nH]1 ZINC000041601261 384194331 /nfs/dbraw/zinc/19/43/31/384194331.db2.gz YLIHNEIYNRAUKR-UHFFFAOYSA-N 0 0 209.293 2.105 10 0 BEAERN COC(OC)c1ccnn1-c1ccccc1F ZINC000072190433 384197392 /nfs/dbraw/zinc/19/73/92/384197392.db2.gz AHYJAQRSSYPNRT-UHFFFAOYSA-N 0 0 236.246 2.303 10 0 BEAERN Cc1nccn1-c1cncc(Br)c1 ZINC000072192798 384197548 /nfs/dbraw/zinc/19/75/48/384197548.db2.gz VUSVTYPUVIGYNQ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN COC(OC)c1ccnn1-c1cccc(F)c1 ZINC000072190434 384198822 /nfs/dbraw/zinc/19/88/22/384198822.db2.gz VQIRXWBJHOGRBG-UHFFFAOYSA-N 0 0 236.246 2.303 10 0 BEAERN CC[C@@H](C)c1noc(C[C@@H](O)C(C)C)n1 ZINC000082563094 384237081 /nfs/dbraw/zinc/23/70/81/384237081.db2.gz JAOMVARMINWRES-RKDXNWHRSA-N 0 0 212.293 2.143 10 0 BEAERN OC[C@@H]1COc2ccc(C(F)(F)F)cc2C1 ZINC000097757602 384276920 /nfs/dbraw/zinc/27/69/20/384276920.db2.gz KZFGQOOSYCBRGM-SSDOTTSWSA-N 0 0 232.201 2.249 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)C(F)F)o1 ZINC000235210054 384258299 /nfs/dbraw/zinc/25/82/99/384258299.db2.gz JBWKTLXFOYVPRZ-ZCFIWIBFSA-N 0 0 203.188 2.030 10 0 BEAERN Cc1c(CNc2ccc3c(c2)CCO3)cnn1C ZINC000093649827 384259378 /nfs/dbraw/zinc/25/93/78/384259378.db2.gz VBGZVDAJYVATOX-UHFFFAOYSA-N 0 0 243.310 2.276 10 0 BEAERN COCc1nc2c(cccc2Br)[nH]1 ZINC000096988519 384274336 /nfs/dbraw/zinc/27/43/36/384274336.db2.gz ALBVQPDAPGQWPI-UHFFFAOYSA-N 0 0 241.088 2.472 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C2(F)F ZINC000074942451 384314903 /nfs/dbraw/zinc/31/49/03/384314903.db2.gz RYCLZPJKWUKFKM-NKWVEPMBSA-N 0 0 219.231 2.261 10 0 BEAERN CCC[C@H](C(=O)Nc1cccc(O)c1)[NH+](C)C ZINC000093900462 384281108 /nfs/dbraw/zinc/28/11/08/384281108.db2.gz WWORHGNIAYFXPR-GFCCVEGCSA-N 0 0 236.315 2.061 10 0 BEAERN Cc1c(-c2ccc(N)cc2)sc2ncnn12 ZINC000097758376 384282667 /nfs/dbraw/zinc/28/26/67/384282667.db2.gz QQGUIMLGBMZTCX-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN CCN(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000134243470 384340885 /nfs/dbraw/zinc/34/08/85/384340885.db2.gz PNDJHOWUSHBLDZ-LLVKDONJSA-N 0 0 234.299 2.172 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CCO[C@@H]2C)ccc1F ZINC000134251203 384343925 /nfs/dbraw/zinc/34/39/25/384343925.db2.gz GGFGTKVIXBIKCU-SKDRFNHKSA-N 0 0 237.274 2.041 10 0 BEAERN CCN(CC1CC1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134337268 384348096 /nfs/dbraw/zinc/34/80/96/384348096.db2.gz DDNSJPLBQLLFFO-LLVKDONJSA-N 0 0 247.342 2.088 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCCCOc1ccccc1 ZINC000075978014 384351127 /nfs/dbraw/zinc/35/11/27/384351127.db2.gz RRKCRQBTBAWCDJ-YPMHNXCESA-N 0 0 248.326 2.163 10 0 BEAERN CCOc1cc(OC)c(OC(F)F)cc1O ZINC000575655354 384352305 /nfs/dbraw/zinc/35/23/05/384352305.db2.gz CTMBTNQXHKHARD-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN COC(=O)c1ccccc1CNC(F)(F)F ZINC000095076118 384353033 /nfs/dbraw/zinc/35/30/33/384353033.db2.gz KGNVHHXHAKKNTQ-UHFFFAOYSA-N 0 0 233.189 2.083 10 0 BEAERN CCOc1cc(O)cc(OC(F)F)c1OC ZINC000575655802 384354001 /nfs/dbraw/zinc/35/40/01/384354001.db2.gz IOTXHBAQYANUDG-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN Clc1ncnc2nn(-c3ccccc3)cc21 ZINC000095080314 384357593 /nfs/dbraw/zinc/35/75/93/384357593.db2.gz WMXHRKVGBVZIHF-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN CCc1c(CO)cc(OC)cc1OC(F)F ZINC000575656760 384374213 /nfs/dbraw/zinc/37/42/13/384374213.db2.gz JQYVCZGLNQCLHT-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CC[C@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000134493652 384360013 /nfs/dbraw/zinc/36/00/13/384360013.db2.gz JAABQZRULFXHOK-WDEREUQCSA-N 0 0 247.342 2.088 10 0 BEAERN CCC1(CNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000134474167 384360606 /nfs/dbraw/zinc/36/06/06/384360606.db2.gz HPOVKLVIZIRTJE-SNVBAGLBSA-N 0 0 247.342 2.136 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccncc1Cl ZINC000134572094 384366829 /nfs/dbraw/zinc/36/68/29/384366829.db2.gz HBRSWYDQFCISQT-VXNVDRBHSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncccc1Cl ZINC000134575329 384367022 /nfs/dbraw/zinc/36/70/22/384367022.db2.gz JCFCPBXKSVLUOW-VXNVDRBHSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncnc2ccsc21 ZINC000134569778 384367279 /nfs/dbraw/zinc/36/72/79/384367279.db2.gz DSCDXKQFKCVXNF-HTQZYQBOSA-N 0 0 235.312 2.281 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncccc1Cl ZINC000134575374 384367371 /nfs/dbraw/zinc/36/73/71/384367371.db2.gz JCFCPBXKSVLUOW-APPZFPTMSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccc(Cl)cn1 ZINC000134570357 384367378 /nfs/dbraw/zinc/36/73/78/384367378.db2.gz OBKWBCGLPAASKB-IONNQARKSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000134572064 384367469 /nfs/dbraw/zinc/36/74/69/384367469.db2.gz YVLRTDKMKMHTNM-IUCAKERBSA-N 0 0 217.272 2.152 10 0 BEAERN CO[C@@H](c1ccccc1Cl)[C@H](C)NO ZINC000095347600 384367849 /nfs/dbraw/zinc/36/78/49/384367849.db2.gz RKXBNTAHBSGATO-OIBJUYFYSA-N 0 0 215.680 2.395 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncc(Cl)cc1F ZINC000134573108 384367856 /nfs/dbraw/zinc/36/78/56/384367856.db2.gz WPLHLCBIWLGKQT-MUWHJKNJSA-N 0 0 230.670 2.463 10 0 BEAERN C[C@@H](NC(=S)Nc1ccncc1)C(C)(C)C ZINC000013724784 384371788 /nfs/dbraw/zinc/37/17/88/384371788.db2.gz TYNORQRGVYNOSO-SECBINFHSA-N 0 0 237.372 2.225 10 0 BEAERN CCOc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075509147 384327296 /nfs/dbraw/zinc/32/72/96/384327296.db2.gz NLVTUVULTJEZBU-CABZTGNLSA-N 0 0 219.284 2.224 10 0 BEAERN Cc1c(C(=O)N[C@H]2C[C@@H]2C)oc2c1C(=O)CCC2 ZINC000075515020 384327336 /nfs/dbraw/zinc/32/73/36/384327336.db2.gz DVCVCQTVHOSFDW-CBAPKCEASA-N 0 0 247.294 2.245 10 0 BEAERN Cc1c(C(=O)N[C@@H]2C[C@@H]2C)oc2c1C(=O)CCC2 ZINC000075515019 384327868 /nfs/dbraw/zinc/32/78/68/384327868.db2.gz DVCVCQTVHOSFDW-IONNQARKSA-N 0 0 247.294 2.245 10 0 BEAERN CCOc1ccc(CC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075528749 384329712 /nfs/dbraw/zinc/32/97/12/384329712.db2.gz UUFMKSYBAXYPMA-GXFFZTMASA-N 0 0 233.311 2.152 10 0 BEAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075527673 384329992 /nfs/dbraw/zinc/32/99/92/384329992.db2.gz TUJAWZSVUNVPMV-AAEUAGOBSA-N 0 0 245.322 2.483 10 0 BEAERN CC(C)Cc1[nH]nc2c1ncnc2Cl ZINC000077301324 384402394 /nfs/dbraw/zinc/40/23/94/384402394.db2.gz LIDTUXAZDFRDOC-UHFFFAOYSA-N 0 0 210.668 2.205 10 0 in-vitro BEAERN FC(F)(F)[C@]1(NCc2ccccc2)CCOC1 ZINC000095882051 384406010 /nfs/dbraw/zinc/40/60/10/384406010.db2.gz GOWNSQPPHVFBFE-NSHDSACASA-N 0 0 245.244 2.498 10 0 BEAERN Nc1nc2ccccc2c2cc(CO)oc21 ZINC000096914094 384408498 /nfs/dbraw/zinc/40/84/98/384408498.db2.gz ZYZYENTWKQQOTC-UHFFFAOYSA-N 0 0 214.224 2.056 10 0 BEAERN C[C@@]1(O)C=C(c2ccccc2)C([N+](=O)[O-])=CC1 ZINC000095923663 384409659 /nfs/dbraw/zinc/40/96/59/384409659.db2.gz MKMRNOCQFHSOSO-ZDUSSCGKSA-N 0 0 231.251 2.385 10 0 BEAERN C[C@H](O)c1ccc(C(=O)OC(C)(C)C)cc1N ZINC000095934568 384412130 /nfs/dbraw/zinc/41/21/30/384412130.db2.gz YCEVDRVVAVFVON-QMMMGPOBSA-N 0 0 237.299 2.277 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1cccc(Cl)n1 ZINC000135081157 384412470 /nfs/dbraw/zinc/41/24/70/384412470.db2.gz ODJJYQAHURJVOJ-SFYZADRCSA-N 0 0 212.680 2.324 10 0 BEAERN Cc1cc(F)c(CO)cc1OC(F)F ZINC000575660854 384412917 /nfs/dbraw/zinc/41/29/17/384412917.db2.gz AXMCHFKCMBEBJA-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COC(=O)c1nc(Cl)nc2ccsc21 ZINC000095936178 384415578 /nfs/dbraw/zinc/41/55/78/384415578.db2.gz AJSOJSKNMHGWPL-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN Nc1nc(-c2c[nH]c3nccc(F)c23)cs1 ZINC000095937806 384417389 /nfs/dbraw/zinc/41/73/89/384417389.db2.gz YSTNOKASXTYSIK-UHFFFAOYSA-N 0 0 234.259 2.408 10 0 BEAERN Cc1cnc(CC[N@H+]2CCC[C@H](O)[C@H]2C)c(C)c1 ZINC000335642768 384420025 /nfs/dbraw/zinc/42/00/25/384420025.db2.gz IRWKMFXRWGETJU-HIFRSBDPSA-N 0 0 248.370 2.086 10 0 BEAERN [NH3+][C@H](CCc1cccc2ccccc21)C(=O)[O-] ZINC000095642260 384385226 /nfs/dbraw/zinc/38/52/26/384385226.db2.gz OESPMGURVQOYRN-CYBMUJFWSA-N 0 0 229.279 2.184 10 0 BEAERN CCOc1cc(O)c(OC)c(OC(F)F)c1 ZINC000575657307 384387375 /nfs/dbraw/zinc/38/73/75/384387375.db2.gz SAVPBEBVFBJTSO-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN Cc1cc(C=O)c(C(F)F)cc1CO ZINC000575668201 384446663 /nfs/dbraw/zinc/44/66/63/384446663.db2.gz LIZRXEZXWGFOBM-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN COC(=O)c1c(F)cc(F)c2c1OCC=C2 ZINC000047844985 384467199 /nfs/dbraw/zinc/46/71/99/384467199.db2.gz YEAUTGNGKDIHNK-UHFFFAOYSA-N 0 0 226.178 2.157 10 0 BEAERN Cc1ccc(C)c(C(F)(F)F)c1C(N)=O ZINC000575672636 384468934 /nfs/dbraw/zinc/46/89/34/384468934.db2.gz DBOAWFFJMXZTTL-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCC2CCC(C)CC2)O1 ZINC000150792236 384506761 /nfs/dbraw/zinc/50/67/61/384506761.db2.gz ROCNQLJFXJUYOC-PYNQCMFNSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CC(C)(C)C1CC1 ZINC000334533630 384509845 /nfs/dbraw/zinc/50/98/45/384509845.db2.gz OREMHSXFWVFCSU-PWSUYJOCSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@@H](c1cccnc1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151034210 384535894 /nfs/dbraw/zinc/53/58/94/384535894.db2.gz ZPAXXTJWMPICOX-NTZNESFSSA-N 0 0 248.326 2.169 10 0 BEAERN COC(=O)c1c(C)ccc(Cl)c1OC ZINC000260920414 384514599 /nfs/dbraw/zinc/51/45/99/384514599.db2.gz HXEDUUSWOOQFIS-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN COc1cc2c(c(Br)c1)C=NC2=O ZINC000085345512 384517734 /nfs/dbraw/zinc/51/77/34/384517734.db2.gz XSGCQLQMFFLDMV-UHFFFAOYSA-N 0 0 240.056 2.030 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000122913867 384523723 /nfs/dbraw/zinc/52/37/23/384523723.db2.gz SRVCYUKUGIWICN-SCVCMEIPSA-N 0 0 203.285 2.315 10 0 BEAERN C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151016273 384532076 /nfs/dbraw/zinc/53/20/76/384532076.db2.gz FRWJBNCCTCWJCI-NTZNESFSSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)CC2CCCC2)O1 ZINC000151079164 384532869 /nfs/dbraw/zinc/53/28/69/384532869.db2.gz RZXXQTAGGKIFRC-ZYHUDNBSSA-N 0 0 225.332 2.203 10 0 BEAERN COC(=O)Cc1c(C)c(C)ccc1OC ZINC000261010589 384545955 /nfs/dbraw/zinc/54/59/55/384545955.db2.gz YDPDLZPGMAMRJT-UHFFFAOYSA-N 0 0 208.257 2.028 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CCCCO1 ZINC000123273353 384547995 /nfs/dbraw/zinc/54/79/95/384547995.db2.gz INSKGUHQCKGYSQ-SNVBAGLBSA-N 0 0 213.321 2.250 10 0 BEAERN COc1c(O)ccc(Br)c1C(C)=O ZINC000258236607 384551257 /nfs/dbraw/zinc/55/12/57/384551257.db2.gz CMVUCZWIPOHRMN-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CC1(C)CCC(NC(=O)[C@@H]2CCCOC2)CC1 ZINC000128230863 384553677 /nfs/dbraw/zinc/55/36/77/384553677.db2.gz KVPBKZKPOJYNAK-LLVKDONJSA-N 0 0 239.359 2.498 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C)CC2)O1 ZINC000151055204 384537338 /nfs/dbraw/zinc/53/73/38/384537338.db2.gz BISMPRRAUDLKDY-GRYCIOLGSA-N 0 0 225.332 2.203 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151037307 384537488 /nfs/dbraw/zinc/53/74/88/384537488.db2.gz RPSAMAMEECTGHJ-DCAQKATOSA-N 0 0 213.321 2.249 10 0 BEAERN CC(=O)c1cnc2c(C)c(C)ccc2c1O ZINC000040176333 384541154 /nfs/dbraw/zinc/54/11/54/384541154.db2.gz KQEYJMWUULKSEL-UHFFFAOYSA-N 0 0 215.252 2.348 10 0 BEAERN C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1 ZINC000020035304 384570978 /nfs/dbraw/zinc/57/09/78/384570978.db2.gz IWTLESRMUUTRHX-NSHDSACASA-N 0 0 234.343 2.252 10 0 BEAERN COC(=O)C1(O)CCC(C(C)(C)C)CC1 ZINC000050974080 384572399 /nfs/dbraw/zinc/57/23/99/384572399.db2.gz OQOQRGOWZWQWDU-UHFFFAOYSA-N 0 0 214.305 2.127 10 0 BEAERN CSCCCNC(=O)Cc1ccc(C)s1 ZINC000123786107 384587162 /nfs/dbraw/zinc/58/71/62/384587162.db2.gz KHXXSKGRGOIXPU-UHFFFAOYSA-N 0 0 243.397 2.468 10 0 BEAERN Cc1cnc(C)c(N2CCS[C@@H](C)C2)n1 ZINC000184108708 384566261 /nfs/dbraw/zinc/56/62/61/384566261.db2.gz LTBICXPWZLATDE-VIFPVBQESA-N 0 0 223.345 2.035 10 0 BEAERN CCc1ccc(NC(=O)[C@H](C)COC)cc1 ZINC000103357246 384609211 /nfs/dbraw/zinc/60/92/11/384609211.db2.gz VDDQKNZRFYUTKN-SNVBAGLBSA-N 0 0 221.300 2.470 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000103357328 384609277 /nfs/dbraw/zinc/60/92/77/384609277.db2.gz DLTQSSKWJJMBAB-RISCZKNCSA-N 0 0 247.338 2.463 10 0 BEAERN COC[C@H](C)C(=O)N(C)C1CCCCCC1 ZINC000103362761 384609486 /nfs/dbraw/zinc/60/94/86/384609486.db2.gz ITBOYJVZGIBGTE-NSHDSACASA-N 0 0 227.348 2.450 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)c1ccc(F)cc1 ZINC000103361141 384609651 /nfs/dbraw/zinc/60/96/51/384609651.db2.gz NIMRUVCQQXHWEK-JTQLQIEISA-N 0 0 239.290 2.461 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000103357268 384609881 /nfs/dbraw/zinc/60/98/81/384609881.db2.gz OSNJWUCDNIOTNP-SNVBAGLBSA-N 0 0 237.299 2.225 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1O ZINC000020362001 384615656 /nfs/dbraw/zinc/61/56/56/384615656.db2.gz HOYXANTZVIPXPO-JTQLQIEISA-N 0 0 221.300 2.475 10 0 BEAERN CC(C)(C)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000050349328 384618736 /nfs/dbraw/zinc/61/87/36/384618736.db2.gz JAIYSWZEYJDSEC-UHFFFAOYSA-N 0 0 235.331 2.308 10 0 BEAERN CCNc1ccnc(Br)c1 ZINC000162487196 384631340 /nfs/dbraw/zinc/63/13/40/384631340.db2.gz JWFMIYYDIMIXHL-UHFFFAOYSA-N 0 0 201.067 2.276 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(Cl)c1O ZINC000261209220 384594364 /nfs/dbraw/zinc/59/43/64/384594364.db2.gz GXVNKAAHZPDYMG-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN Nc1cc(Oc2ccc(CO)nc2)ccc1F ZINC000098179095 384598721 /nfs/dbraw/zinc/59/87/21/384598721.db2.gz RTZHLWRJZPIOKY-UHFFFAOYSA-N 0 0 234.230 2.088 10 0 BEAERN CC(=O)Cc1cnccc1NC(=O)C(C)(C)C ZINC000098177827 384599164 /nfs/dbraw/zinc/59/91/64/384599164.db2.gz WXXVUFNVFSXYCK-UHFFFAOYSA-N 0 0 234.299 2.198 10 0 BEAERN CCCc1nsc(N[C@](C)(CC)CCO)n1 ZINC000228617965 134424372 /nfs/dbraw/zinc/42/43/72/134424372.db2.gz MCADYUHXGXBGMJ-LLVKDONJSA-N 0 0 243.376 2.454 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2CCSC2)n1 ZINC000335913138 384676426 /nfs/dbraw/zinc/67/64/26/384676426.db2.gz BCIDOUMYGUHKGB-MRVPVSSYSA-N 0 0 227.308 2.150 10 0 BEAERN NC(=O)c1c(F)cc(F)cc1C(F)(F)F ZINC000575696577 384672223 /nfs/dbraw/zinc/67/22/23/384672223.db2.gz ZJEPXDLXMZBXNB-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN COCc1sc(NC(C)C)nc1C ZINC000061714457 384674053 /nfs/dbraw/zinc/67/40/53/384674053.db2.gz AKTYXNYPISMGSM-UHFFFAOYSA-N 0 0 200.307 2.418 10 0 BEAERN O=[N+]([O-])/C=C1\CCCN1Cc1ccccc1 ZINC000100353554 384636717 /nfs/dbraw/zinc/63/67/17/384636717.db2.gz QGRRJDFZPVWRGG-ZRDIBKRKSA-N 0 0 218.256 2.401 10 0 BEAERN Cc1ccc(NC2=CCS(=O)(=O)C2)cc1C ZINC000100441291 384641326 /nfs/dbraw/zinc/64/13/26/384641326.db2.gz HRQLNDNWCWGOOK-UHFFFAOYSA-N 0 0 237.324 2.375 10 0 BEAERN O=Cc1ccc2c(c1C(F)(F)F)OCO2 ZINC000082368767 384651838 /nfs/dbraw/zinc/65/18/38/384651838.db2.gz HWMNGFDBZCFPJW-UHFFFAOYSA-N 0 0 218.130 2.247 10 0 BEAERN Brc1nc([C@@H]2CCCO2)co1 ZINC000258750357 384654250 /nfs/dbraw/zinc/65/42/50/384654250.db2.gz CWYAXFVOQSCGOR-LURJTMIESA-N 0 0 218.050 2.289 10 0 BEAERN COc1nnc(Br)c2ccccc21 ZINC000238437684 384659252 /nfs/dbraw/zinc/65/92/52/384659252.db2.gz BSGUAJSAWLSVOI-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN Cc1oc(Br)nc1[C@H]1CCOC1 ZINC000258973988 384725645 /nfs/dbraw/zinc/72/56/45/384725645.db2.gz SBHMBMYSMZNJPZ-LURJTMIESA-N 0 0 232.077 2.249 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2CCSC2)n1 ZINC000335913139 384677385 /nfs/dbraw/zinc/67/73/85/384677385.db2.gz BCIDOUMYGUHKGB-QMMMGPOBSA-N 0 0 227.308 2.150 10 0 BEAERN C[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000173478357 384684743 /nfs/dbraw/zinc/68/47/43/384684743.db2.gz GZFNRFKDZYCZNJ-HOTUBEGUSA-N 0 0 221.275 2.454 10 0 BEAERN Cc1cnc(CCN(C)C(=O)c2ccc[nH]2)s1 ZINC000124973329 384686882 /nfs/dbraw/zinc/68/68/82/384686882.db2.gz DKWJHQYUTHUFOY-UHFFFAOYSA-N 0 0 249.339 2.094 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000082563453 384692901 /nfs/dbraw/zinc/69/29/01/384692901.db2.gz WSFMBDRDPVYGTA-PELKAZGASA-N 0 0 214.268 2.306 10 0 BEAERN C=Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000185293728 384702391 /nfs/dbraw/zinc/70/23/91/384702391.db2.gz NWGRHDSLJUALKM-KGLIPLIRSA-N 0 0 245.322 2.363 10 0 BEAERN O=Cc1c(Cl)nc2cc(Cl)ccn12 ZINC000082694875 384702932 /nfs/dbraw/zinc/70/29/32/384702932.db2.gz OEXDRUYMUYDKQR-UHFFFAOYSA-N 0 0 215.039 2.454 10 0 BEAERN O=C(c1sccc1-n1cccc1)N1CCCO1 ZINC000125347643 384712604 /nfs/dbraw/zinc/71/26/04/384712604.db2.gz POEAHPFAGLXSQK-UHFFFAOYSA-N 0 0 248.307 2.316 10 0 BEAERN Nc1cc2cc([C@@H](O)c3ccccc3)[nH]c2cn1 ZINC000142942891 384712913 /nfs/dbraw/zinc/71/29/13/384712913.db2.gz CLVLWBCTRRHLSX-AWEZNQCLSA-N 0 0 239.278 2.227 10 0 BEAERN CC(C)(C(=O)N1CCCO1)c1ccccc1 ZINC000125400102 384716033 /nfs/dbraw/zinc/71/60/33/384716033.db2.gz NYTFGRPWSMSUOM-UHFFFAOYSA-N 0 0 219.284 2.128 10 0 BEAERN O=C(c1ccco1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000125473781 384718699 /nfs/dbraw/zinc/71/86/99/384718699.db2.gz RVDCHRBSSOLJRE-BXUZGUMPSA-N 0 0 249.310 2.047 10 0 BEAERN CCO[C@@H]1C[C@@H](c2ccccc2)C(=O)O1 ZINC000143254041 384720130 /nfs/dbraw/zinc/72/01/30/384720130.db2.gz UWNOCPOSLHHZDE-QWRGUYRKSA-N 0 0 206.241 2.080 10 0 BEAERN CCOC(=O)Cc1c(O)cc(OC)cc1Cl ZINC000575700361 384739598 /nfs/dbraw/zinc/73/95/98/384739598.db2.gz INIDASQSSZAYQI-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN Cc1nnc(N[C@@H]2COc3ccccc32)s1 ZINC000083119562 384746394 /nfs/dbraw/zinc/74/63/94/384746394.db2.gz NIZYTQTZEQEHTA-SECBINFHSA-N 0 0 233.296 2.392 10 0 BEAERN O=Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000083255296 384755595 /nfs/dbraw/zinc/75/55/95/384755595.db2.gz ODALYNTXJZJHIS-UHFFFAOYSA-N 0 0 242.065 2.387 10 0 BEAERN COC(=O)[C@H](C)N[C@H](C)C1C(C)(C)C1(C)C ZINC000309977627 384758729 /nfs/dbraw/zinc/75/87/29/384758729.db2.gz ULGXZANYZXZBHY-BDAKNGLRSA-N 0 0 227.348 2.208 10 0 BEAERN CCc1cc(C=O)c(C(F)(F)F)cc1C(N)=O ZINC000575702156 384759483 /nfs/dbraw/zinc/75/94/83/384759483.db2.gz GCWPGFQPVWCZBP-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cc(C)ccc1C ZINC000103357188 384762035 /nfs/dbraw/zinc/76/20/35/384762035.db2.gz IHIUXKOVQLTGQP-LLVKDONJSA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000103357220 384762123 /nfs/dbraw/zinc/76/21/23/384762123.db2.gz JZKNVRUQDGBHDV-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccccc1 ZINC000103356731 384763291 /nfs/dbraw/zinc/76/32/91/384763291.db2.gz CQVIBNNXBNAESP-JTQLQIEISA-N 0 0 208.257 2.012 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000103372772 384764282 /nfs/dbraw/zinc/76/42/82/384764282.db2.gz NXBMNOIVVPMOBD-RYUDHWBXSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@H](C)C(=O)OCc1cccc(OC)c1 ZINC000103357675 384764539 /nfs/dbraw/zinc/76/45/39/384764539.db2.gz YCINAERQMPMOQF-JTQLQIEISA-N 0 0 238.283 2.021 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000103357827 384764799 /nfs/dbraw/zinc/76/47/99/384764799.db2.gz MHCYOOJYGNAECH-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN CCOc1ccccc1OC(=O)[C@@H](C)COC ZINC000103357914 384764843 /nfs/dbraw/zinc/76/48/43/384764843.db2.gz QNBWXYBNKYSSQI-JTQLQIEISA-N 0 0 238.283 2.273 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000103359985 384765125 /nfs/dbraw/zinc/76/51/25/384765125.db2.gz DIAMXXFNHGKDPB-NWDGAFQWSA-N 0 0 235.327 2.455 10 0 BEAERN CCc1ccccc1NC(=O)[C@H](C)COC ZINC000103358656 384765452 /nfs/dbraw/zinc/76/54/52/384765452.db2.gz RPHWQBPTVBCDIX-SNVBAGLBSA-N 0 0 221.300 2.470 10 0 BEAERN CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)COC ZINC000103393992 384766993 /nfs/dbraw/zinc/76/69/93/384766993.db2.gz WKZAVCXCRKTLPF-GXTWGEPZSA-N 0 0 249.354 2.406 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000103393059 384767686 /nfs/dbraw/zinc/76/76/86/384767686.db2.gz UCUDMQMIRRPVGJ-SNVBAGLBSA-N 0 0 237.299 2.225 10 0 BEAERN CCc1c(C(F)(F)F)ccc(C(N)=O)c1OC ZINC000575703363 384769528 /nfs/dbraw/zinc/76/95/28/384769528.db2.gz KYHLUSLCBCOZBW-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000103428603 384770833 /nfs/dbraw/zinc/77/08/33/384770833.db2.gz ZCDFVCMSFRGQNN-QMMMGPOBSA-N 0 0 248.282 2.357 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(F)c1F ZINC000054215577 384826122 /nfs/dbraw/zinc/82/61/22/384826122.db2.gz QZTMJFHGOLUSLI-MUWHJKNJSA-N 0 0 211.211 2.103 10 0 BEAERN CCn1ccnc1CS[C@H](C)C(C)=O ZINC000176974766 384835225 /nfs/dbraw/zinc/83/52/25/384835225.db2.gz HNWHEZJZQAXKDA-SECBINFHSA-N 0 0 212.318 2.114 10 0 BEAERN Nc1ccc2[nH]nc(-c3ccnc(F)c3)c2c1 ZINC000146017102 384785469 /nfs/dbraw/zinc/78/54/69/384785469.db2.gz PZUWKTQRAMPWNG-UHFFFAOYSA-N 0 0 228.230 2.346 10 0 BEAERN CSCCCC(=O)Nc1ccccc1N ZINC000038063504 384787364 /nfs/dbraw/zinc/78/73/64/384787364.db2.gz MHEGCYGHDSPGDU-UHFFFAOYSA-N 0 0 224.329 2.351 10 0 BEAERN O=Cc1c(F)ccc(O)c1C(F)(F)F ZINC000575705237 384789605 /nfs/dbraw/zinc/78/96/05/384789605.db2.gz VBRODWMYRKGPCH-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN COc1cc(C)c(N[C@@H]2CCOC2)cc1OC ZINC000104064845 384797961 /nfs/dbraw/zinc/79/79/61/384797961.db2.gz LOXBITGIBCHNKD-SNVBAGLBSA-N 0 0 237.299 2.213 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CCC2CCCC2)C1 ZINC000335083670 384798318 /nfs/dbraw/zinc/79/83/18/384798318.db2.gz MUPPSBWNQHIAQD-AAEUAGOBSA-N 0 0 239.359 2.186 10 0 BEAERN COC(=O)[C@H](NCC=C(C)C)C(C)(C)C ZINC000119125579 384799981 /nfs/dbraw/zinc/79/99/81/384799981.db2.gz RCADCCMUUFMLPE-JTQLQIEISA-N 0 0 213.321 2.130 10 0 BEAERN C/C=C/CSCc1nnnn1C(C)C ZINC000176902288 384810186 /nfs/dbraw/zinc/81/01/86/384810186.db2.gz ANMCLRHZRBRSMJ-SNAWJCMRSA-N 0 0 212.322 2.063 10 0 BEAERN CC(C)c1noc(NC[C@@H](O)C(C)(C)C)n1 ZINC000301352118 384870255 /nfs/dbraw/zinc/87/02/55/384870255.db2.gz WJYJHNDJGTUKIS-MRVPVSSYSA-N 0 0 227.308 2.012 10 0 BEAERN c1cn(C[C@@H]2CCCc3ncccc32)cn1 ZINC000013808182 384873767 /nfs/dbraw/zinc/87/37/67/384873767.db2.gz JFGSPJCAHNGXLH-NSHDSACASA-N 0 0 213.284 2.398 10 0 BEAERN CC(C)c1nsc(NC[C@@H](O)C(C)(C)C)n1 ZINC000301439775 384875830 /nfs/dbraw/zinc/87/58/30/384875830.db2.gz LVSMPRYTDJEEIR-MRVPVSSYSA-N 0 0 243.376 2.480 10 0 BEAERN CC(=O)c1c(N)ccc(OC(F)F)c1F ZINC000575716099 384877161 /nfs/dbraw/zinc/87/71/61/384877161.db2.gz JMOURVTWPHIMIU-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)CC(C)C)C2)c1 ZINC000105856538 384883992 /nfs/dbraw/zinc/88/39/92/384883992.db2.gz GPMIZBJEGCOLJC-CYBMUJFWSA-N 0 0 249.358 2.401 10 0 BEAERN Cc1cnn([C@H]2CCCN(C(=O)C3CCC3)C2)c1 ZINC000105856727 384884244 /nfs/dbraw/zinc/88/42/44/384884244.db2.gz AEAXHKOBDZSFLW-ZDUSSCGKSA-N 0 0 247.342 2.155 10 0 BEAERN CCOc1ccc2[nH]cc3c(=O)onc-3c2c1 ZINC000072237238 384841953 /nfs/dbraw/zinc/84/19/53/384841953.db2.gz ZRMRDQHIBHCZND-UHFFFAOYSA-N 0 0 230.223 2.068 10 0 BEAERN O=Cc1csc(I)c1 ZINC000084193637 384845689 /nfs/dbraw/zinc/84/56/89/384845689.db2.gz SEWHHLSEXYDKMQ-UHFFFAOYSA-N 0 0 238.049 2.165 10 0 BEAERN COC(=O)Cc1cc(C)c(O)cc1Cl ZINC000575712172 384850602 /nfs/dbraw/zinc/85/06/02/384850602.db2.gz FBCMNCIEFBPOJF-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN O=C(CC1CCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177780704 384858072 /nfs/dbraw/zinc/85/80/72/384858072.db2.gz CVOZQHJDDZZRJH-CYBMUJFWSA-N 0 0 247.342 2.064 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]c2ccc(C=O)cc21 ZINC000054967338 384863496 /nfs/dbraw/zinc/86/34/96/384863496.db2.gz YHQHECZJCLVHQQ-UHFFFAOYSA-N 0 0 246.266 2.331 10 0 BEAERN CSc1ccc(NCCOCC(C)C)nn1 ZINC000301243889 384864078 /nfs/dbraw/zinc/86/40/78/384864078.db2.gz HAHOTQKHELGARR-UHFFFAOYSA-N 0 0 241.360 2.283 10 0 BEAERN Cn1cc(-c2cnc(N)o2)c2ccccc21 ZINC000071518711 384955110 /nfs/dbraw/zinc/95/51/10/384955110.db2.gz URIYQYWPVNJBFP-UHFFFAOYSA-N 0 0 213.240 2.416 10 0 BEAERN CC(=O)CCCC(=O)NCCC1=CCCC1 ZINC000026950593 384890958 /nfs/dbraw/zinc/89/09/58/384890958.db2.gz ZBKAGCZQHUCSJX-UHFFFAOYSA-N 0 0 223.316 2.362 10 0 BEAERN CC(=O)c1cc(O)cc(C(F)(F)F)c1N ZINC000575719394 384891197 /nfs/dbraw/zinc/89/11/97/384891197.db2.gz SSTWMWMAZVMLQR-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CC[C@@H](CCO)CNc1ccc(SC)nn1 ZINC000301562865 384892683 /nfs/dbraw/zinc/89/26/83/384892683.db2.gz LDFCXZCNTQYLJT-VIFPVBQESA-N 0 0 241.360 2.019 10 0 BEAERN Cc1c(O)c(N)ccc1Br ZINC000575720013 384895089 /nfs/dbraw/zinc/89/50/89/384895089.db2.gz CCGKETUQKBEEEX-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN CCOc1ccc(N)c(Br)c1N ZINC000575720515 384895345 /nfs/dbraw/zinc/89/53/45/384895345.db2.gz YGAAPHPZRUSYIT-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN CCOc1cc(O)cc(Br)c1N ZINC000575722920 384898951 /nfs/dbraw/zinc/89/89/51/384898951.db2.gz PBFYDMIESYMZKV-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN COc1cc(F)c(N)c(Br)c1 ZINC000575722457 384899189 /nfs/dbraw/zinc/89/91/89/384899189.db2.gz LOXZZESSGFBPLL-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CC(=O)c1cc(N)cc(N)c1C(F)(F)F ZINC000575723025 384900777 /nfs/dbraw/zinc/90/07/77/384900777.db2.gz MIDUYWJPCQHTEU-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN C[C@@H](NC(=O)C[C@H]1CCC[C@H]1C)[C@@H]1CCCO1 ZINC000248914756 384902865 /nfs/dbraw/zinc/90/28/65/384902865.db2.gz CTUDWTKUMDGNLY-LPWJVIDDSA-N 0 0 239.359 2.496 10 0 BEAERN CCOC(=O)c1cc(CC)cc(N)c1F ZINC000575724189 384904917 /nfs/dbraw/zinc/90/49/17/384904917.db2.gz YMIUNWGLPJYGEI-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CC[C@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000127488360 384905852 /nfs/dbraw/zinc/90/58/52/384905852.db2.gz VYSYXLAMHZKNLE-NSHDSACASA-N 0 0 247.342 2.092 10 0 BEAERN CCCc1nnc(NCC(O)(CC)CC)s1 ZINC000301690669 384906326 /nfs/dbraw/zinc/90/63/26/384906326.db2.gz XGAMBHBANFMMEH-UHFFFAOYSA-N 0 0 243.376 2.454 10 0 BEAERN CCCc1nnc(N[C@@H]2CCCC[C@@H]2O)s1 ZINC000301673476 384906609 /nfs/dbraw/zinc/90/66/09/384906609.db2.gz PECBQQKDTHUWGA-BDAKNGLRSA-N 0 0 241.360 2.206 10 0 BEAERN CCCc1nnc(N[C@H](C)CCCO)s1 ZINC000301666615 384908335 /nfs/dbraw/zinc/90/83/35/384908335.db2.gz MJHKCHUOZFWLEZ-MRVPVSSYSA-N 0 0 229.349 2.064 10 0 BEAERN CC(C)(C)[C@@H](O)CNc1nnc(C2CC2)s1 ZINC000301719126 384914656 /nfs/dbraw/zinc/91/46/56/384914656.db2.gz IMRZCJHTJLTDGJ-QMMMGPOBSA-N 0 0 241.360 2.234 10 0 BEAERN Cc1c(O)cc(N)cc1OC(F)(F)F ZINC000575729204 384917416 /nfs/dbraw/zinc/91/74/16/384917416.db2.gz XBSXWAINHURZLK-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1cc(N)c(C(F)(F)F)c(O)c1 ZINC000575728464 384918124 /nfs/dbraw/zinc/91/81/24/384918124.db2.gz PTRBDQUDBILQPQ-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1cscc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000175522563 384920397 /nfs/dbraw/zinc/92/03/97/384920397.db2.gz ZDUMDLYVTZVXMF-ONGXEEELSA-N 0 0 239.340 2.354 10 0 BEAERN COC(=O)Cc1cc(N)c(Cl)cc1Cl ZINC000575730325 384926590 /nfs/dbraw/zinc/92/65/90/384926590.db2.gz QMEJYNCJFSLXQA-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN Cc1nnc(N[C@H]2CCCCC[C@H]2CO)s1 ZINC000301808161 384929887 /nfs/dbraw/zinc/92/98/87/384929887.db2.gz ZBWBGIXJQHSWSI-UWVGGRQHSA-N 0 0 241.360 2.200 10 0 BEAERN CC(=O)c1csc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000106769676 384930043 /nfs/dbraw/zinc/93/00/43/384930043.db2.gz BWMDWZHKBYBMOE-IMTBSYHQSA-N 0 0 223.297 2.089 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2ncc(C)cn2)C1 ZINC000301843696 384936049 /nfs/dbraw/zinc/93/60/49/384936049.db2.gz RRCQAJHDQLDFHS-GHMZBOCLSA-N 0 0 221.304 2.155 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2ncc(C)cn2)C1 ZINC000301843697 384936470 /nfs/dbraw/zinc/93/64/70/384936470.db2.gz RRCQAJHDQLDFHS-MNOVXSKESA-N 0 0 221.304 2.155 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nc(N)c2ccccc2n1 ZINC000301898840 384940232 /nfs/dbraw/zinc/94/02/32/384940232.db2.gz XGNWGIORJIWEPS-XCBNKYQSSA-N 0 0 214.272 2.032 10 0 BEAERN CCCc1nnc(NCCOC(C)C)s1 ZINC000302112235 384960394 /nfs/dbraw/zinc/96/03/94/384960394.db2.gz AXWWCNDJOUJDCU-UHFFFAOYSA-N 0 0 229.349 2.328 10 0 BEAERN Cc1cc(C(=O)N2CCCO2)ccc1Cl ZINC000128713261 384960551 /nfs/dbraw/zinc/96/05/51/384960551.db2.gz UMYRCICTFYEOCP-UHFFFAOYSA-N 0 0 225.675 2.426 10 0 BEAERN CC[C@@H](C)c1ccc2c(c1)C(=O)C(=O)N2 ZINC000019255278 384994191 /nfs/dbraw/zinc/99/41/91/384994191.db2.gz RBSPRPMOTLWFGV-SSDOTTSWSA-N 0 0 203.241 2.335 10 0 BEAERN CCc1cc(N2CCC[C@@H]2CCCO)nc(C)n1 ZINC000088760738 385005824 /nfs/dbraw/zinc/00/58/24/385005824.db2.gz BOVIBHRBINOMKQ-CYBMUJFWSA-N 0 0 249.358 2.089 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1cc(C)c(C)nn1 ZINC000302821331 385009193 /nfs/dbraw/zinc/00/91/93/385009193.db2.gz QHWXTOXZRCJUHW-GHMZBOCLSA-N 0 0 221.304 2.073 10 0 BEAERN O=C1CCN(Cc2ccccc2Cl)C(=O)C1 ZINC000086475923 385019758 /nfs/dbraw/zinc/01/97/58/385019758.db2.gz ATKOHCCVZHMORS-UHFFFAOYSA-N 0 0 237.686 2.032 10 0 BEAERN Cc1c(Cl)nc2nccn2c1Cl ZINC000059627516 385051082 /nfs/dbraw/zinc/05/10/82/385051082.db2.gz BPUQVLTYERGBER-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)CCOCC1CC1 ZINC000087026036 385065755 /nfs/dbraw/zinc/06/57/55/385065755.db2.gz UASGWRABXPRUDF-NSHDSACASA-N 0 0 242.363 2.099 10 0 BEAERN CSc1cncc(NCC[C@@H]2CCCO2)n1 ZINC000131278852 385082072 /nfs/dbraw/zinc/08/20/72/385082072.db2.gz XSKQWCFKBFBPMR-VIFPVBQESA-N 0 0 239.344 2.180 10 0 BEAERN CSc1cncc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000131318517 385083053 /nfs/dbraw/zinc/08/30/53/385083053.db2.gz ZRDJJJFYQBWDGE-DTWKUNHWSA-N 0 0 239.344 2.178 10 0 BEAERN Cc1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)o1 ZINC000164797610 385040756 /nfs/dbraw/zinc/04/07/56/385040756.db2.gz VGTYKOPVUQWTGB-GHMZBOCLSA-N 0 0 246.314 2.365 10 0 BEAERN C[C@H](CSC[C@H](O)CO)C1CCCCC1 ZINC000310549567 385110081 /nfs/dbraw/zinc/11/00/81/385110081.db2.gz FXWAXRWTXPZIRL-ZYHUDNBSSA-N 0 0 232.389 2.289 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc2ccn(C)c21 ZINC000188998716 385111593 /nfs/dbraw/zinc/11/15/93/385111593.db2.gz NUWFKSNJWKZGCI-JTQLQIEISA-N 0 0 246.310 2.399 10 0 BEAERN Cc1ccnc(N[C@@H]2CCCC[C@@H]2O)c1 ZINC000052006087 385113803 /nfs/dbraw/zinc/11/38/03/385113803.db2.gz SIJKFIWPCUIUOS-MNOVXSKESA-N 0 0 206.289 2.105 10 0 BEAERN Cn1cc([C@@H]2CCCN2C(=O)C2CC=CC2)cn1 ZINC000151629571 385120926 /nfs/dbraw/zinc/12/09/26/385120926.db2.gz AHGOEGPXQHEXPU-ZDUSSCGKSA-N 0 0 245.326 2.050 10 0 BEAERN CCC(O)(CC)CNc1ccnc(C2CC2)n1 ZINC000110380115 385122630 /nfs/dbraw/zinc/12/26/30/385122630.db2.gz ZTQJYCUQXYQKHY-UHFFFAOYSA-N 0 0 235.331 2.317 10 0 BEAERN Cc1cc2sc(NCCO)nc2c(C)c1 ZINC000032231729 385138070 /nfs/dbraw/zinc/13/80/70/385138070.db2.gz CMMUJIHBIYWZGP-UHFFFAOYSA-N 0 0 222.313 2.317 10 0 BEAERN CN(C[C@H](O)C(F)(F)F)c1ccccc1F ZINC000109706837 385186091 /nfs/dbraw/zinc/18/60/91/385186091.db2.gz FZQNKKNLOSSDIB-VIFPVBQESA-N 0 0 237.196 2.185 10 0 BEAERN COC[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109458037 385165775 /nfs/dbraw/zinc/16/57/75/385165775.db2.gz QVANSBJTIUKVHY-SECBINFHSA-N 0 0 248.282 2.495 10 0 BEAERN O=C(c1ncccc1O)N1CCCC12CCCC2 ZINC000310782149 385166769 /nfs/dbraw/zinc/16/67/69/385166769.db2.gz BSONUCFKYYSQOR-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN O[C@@]12CCCC[C@@H]1CN(c1ccccn1)CC2 ZINC000128349677 385256041 /nfs/dbraw/zinc/25/60/41/385256041.db2.gz GEZYFZZSJHDVBT-TZMCWYRMSA-N 0 0 232.327 2.213 10 0 BEAERN CS[C@@H](C)CNC(=O)Cc1ccc(C)s1 ZINC000130128089 385221276 /nfs/dbraw/zinc/22/12/76/385221276.db2.gz SPXBHUUWPAFIDG-VIFPVBQESA-N 0 0 243.397 2.467 10 0 BEAERN O=C1NCc2ccccc2[C@H]1c1ccccc1 ZINC000166133390 385222771 /nfs/dbraw/zinc/22/27/71/385222771.db2.gz QULXRJIVGBFJNI-CQSZACIVSA-N 0 0 223.275 2.448 10 0 BEAERN CCc1cc(C)c(C(=O)NC[C@@H]2CCCO2)o1 ZINC000130330773 385241095 /nfs/dbraw/zinc/24/10/95/385241095.db2.gz GMSWKNZULGMUME-NSHDSACASA-N 0 0 237.299 2.059 10 0 BEAERN Cc1ccc(CC(=O)N2[C@H](C)COC[C@@H]2C)cc1 ZINC000130391226 385244474 /nfs/dbraw/zinc/24/44/74/385244474.db2.gz APLDGEHNKNGAEC-BETUJISGSA-N 0 0 247.338 2.173 10 0 BEAERN O=C1N[C@]2(CCCSC2)Nc2ccccc21 ZINC000108943598 385246915 /nfs/dbraw/zinc/24/69/15/385246915.db2.gz QIUGUIJHXBEOFQ-LBPRGKRZSA-N 0 0 234.324 2.065 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)Nc2ccncn2)o1 ZINC000190697014 385258182 /nfs/dbraw/zinc/25/81/82/385258182.db2.gz GRBRGPSQHPJGMM-VIFPVBQESA-N 0 0 246.270 2.261 10 0 BEAERN CCOc1ccc2nc(C(=O)OC)sc2c1 ZINC000259349343 385305743 /nfs/dbraw/zinc/30/57/43/385305743.db2.gz FZFUDGNCGQQJME-UHFFFAOYSA-N 0 0 237.280 2.482 10 0 BEAERN C[C@H](O)CNc1ncnc2cc(Cl)ccc21 ZINC000120209897 385274335 /nfs/dbraw/zinc/27/43/35/385274335.db2.gz JKDYIPBREJLXQU-ZETCQYMHSA-N 0 0 237.690 2.076 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)Cc1cnc2ccccc2c1 ZINC000130664153 385275111 /nfs/dbraw/zinc/27/51/11/385275111.db2.gz RCIPSDPGGYIJJQ-QMTHXVAHSA-N 0 0 240.306 2.302 10 0 BEAERN CCN(CC)c1ccc(N)c(NC(C)=O)c1 ZINC000034383490 385278981 /nfs/dbraw/zinc/27/89/81/385278981.db2.gz YOUKHKXMLCZXRK-UHFFFAOYSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1ccc(OC[C@@H](O)COC(C)C)cc1 ZINC000034544352 385285615 /nfs/dbraw/zinc/28/56/15/385285615.db2.gz VTUGAQGEZFPUPW-LBPRGKRZSA-N 0 0 224.300 2.160 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)Oc1ccccc1 ZINC000191351486 385299558 /nfs/dbraw/zinc/29/95/58/385299558.db2.gz FQGURQXQQYQPIT-JQWIXIFHSA-N 0 0 220.268 2.407 10 0 BEAERN Cc1cc(C(=O)Nc2ccc(=O)[nH]c2)ccc1O ZINC000311131418 385331785 /nfs/dbraw/zinc/33/17/85/385331785.db2.gz JJUXQHSNMWNTMU-UHFFFAOYSA-N 0 0 244.250 2.054 10 0 BEAERN F[C@H]1CN[C@H](c2nc(C3CCCCC3)no2)C1 ZINC000409424402 385331932 /nfs/dbraw/zinc/33/19/32/385331932.db2.gz UXZPWHXQNJJHSY-ZJUUUORDSA-N 0 0 239.294 2.490 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccncc1C(F)(F)F ZINC000192206862 385347409 /nfs/dbraw/zinc/34/74/09/385347409.db2.gz XDHAJUJPHZKLMT-MUWHJKNJSA-N 0 0 244.216 2.239 10 0 BEAERN Cc1ccncc1N[C@H]1COC(C)(C)C1 ZINC000335359543 385349461 /nfs/dbraw/zinc/34/94/61/385349461.db2.gz RRYKNCFCYJTADK-SNVBAGLBSA-N 0 0 206.289 2.369 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCc1cncs1 ZINC000192280215 385350547 /nfs/dbraw/zinc/35/05/47/385350547.db2.gz UUOYIPYAQZXGLV-WCBMZHEXSA-N 0 0 241.312 2.001 10 0 BEAERN Cc1ccc(F)cc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000294993603 385363664 /nfs/dbraw/zinc/36/36/64/385363664.db2.gz KXAAFMSPLSTIHN-RISCZKNCSA-N 0 0 237.318 2.479 10 0 BEAERN COCCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000158210726 385364622 /nfs/dbraw/zinc/36/46/22/385364622.db2.gz JYQUMLJDOBLRBZ-CHWSQXEVSA-N 0 0 239.359 2.356 10 0 BEAERN COCCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000158210862 385365425 /nfs/dbraw/zinc/36/54/25/385365425.db2.gz JYQUMLJDOBLRBZ-OLZOCXBDSA-N 0 0 239.359 2.356 10 0 BEAERN CSC[C@H](C)NC(=O)Cc1ccc(C)s1 ZINC000131317031 385327596 /nfs/dbraw/zinc/32/75/96/385327596.db2.gz UEWFOYXYDBHSPI-QMMMGPOBSA-N 0 0 243.397 2.467 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccnc1Cl ZINC000170793329 385446168 /nfs/dbraw/zinc/44/61/68/385446168.db2.gz YBHROWGFBNZQBP-SVRRBLITSA-N 0 0 225.679 2.265 10 0 BEAERN O=Cc1nc(-c2ccc(F)cn2)cs1 ZINC000156436719 385453385 /nfs/dbraw/zinc/45/33/85/385453385.db2.gz OQCPBWMZCYGJKC-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN Cc1nc(C)c(F)c(NCC2CCC2)n1 ZINC000309180309 385454435 /nfs/dbraw/zinc/45/44/35/385454435.db2.gz NPIXSJZMLZDISH-UHFFFAOYSA-N 0 0 209.268 2.445 10 0 BEAERN CC(=O)c1ccc(NC(=O)[C@H]2OCC[C@H]2C)cc1 ZINC000156482659 385454553 /nfs/dbraw/zinc/45/45/53/385454553.db2.gz CSRHRZCBVCNVTI-RNCFNFMXSA-N 0 0 247.294 2.253 10 0 BEAERN Cc1nc(CN[C@H](C)c2cccs2)no1 ZINC000182542748 385458341 /nfs/dbraw/zinc/45/83/41/385458341.db2.gz JLCPSJJGVNXORE-SSDOTTSWSA-N 0 0 223.301 2.290 10 0 BEAERN C[C@@]1(NCC(F)(F)F)CCO[C@H]1C1CC1 ZINC000309112611 385426848 /nfs/dbraw/zinc/42/68/48/385426848.db2.gz KEYBVQPRMMWXGN-DTWKUNHWSA-N 0 0 223.238 2.096 10 0 BEAERN CC(C)(C)c1ccc([C@]2(C(=O)[O-])CC[NH2+]C2)cc1 ZINC000259476823 385474689 /nfs/dbraw/zinc/47/46/89/385474689.db2.gz HOADLSRWDSWGGD-HNNXBMFYSA-N 0 0 247.338 2.300 10 0 BEAERN CC(C)(C)c1ccc([C@@]2(C(=O)[O-])CC[NH2+]C2)cc1 ZINC000259476825 385475145 /nfs/dbraw/zinc/47/51/45/385475145.db2.gz HOADLSRWDSWGGD-OAHLLOKOSA-N 0 0 247.338 2.300 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc2cccnc21 ZINC000171429283 385484768 /nfs/dbraw/zinc/48/47/68/385484768.db2.gz HOUXLWRSUUUIAE-JTQLQIEISA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000171428109 385485529 /nfs/dbraw/zinc/48/55/29/385485529.db2.gz LPBWUWUEDHDWKX-LBPRGKRZSA-N 0 0 235.327 2.236 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000171455263 385486406 /nfs/dbraw/zinc/48/64/06/385486406.db2.gz VDCXHNUNOJOLGQ-STQMWFEESA-N 0 0 249.354 2.325 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1c(F)cccc1F ZINC000171458975 385487333 /nfs/dbraw/zinc/48/73/33/385487333.db2.gz PUJQGQHYOCQVDV-MRVPVSSYSA-N 0 0 243.253 2.210 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCOC2)o1 ZINC000171030461 385464421 /nfs/dbraw/zinc/46/44/21/385464421.db2.gz BYGAZWZXKZMICX-QWRGUYRKSA-N 0 0 237.299 2.192 10 0 BEAERN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cnoc1C1CC1 ZINC000367687284 385464504 /nfs/dbraw/zinc/46/45/04/385464504.db2.gz PXWKIGWJQPSEAX-TXEJJXNPSA-N 0 0 246.310 2.248 10 0 BEAERN Fc1cccc(CNc2cccnn2)c1 ZINC000052815966 385496086 /nfs/dbraw/zinc/49/60/86/385496086.db2.gz NCOVLLXHZBQSDK-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1ccc(CNc2cccnn2)cc1 ZINC000052815918 385496664 /nfs/dbraw/zinc/49/66/64/385496664.db2.gz GXMATQDXHFLMMT-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Cc1nc(Cl)cc(N(C)C[C@@H]2CCCO2)n1 ZINC000052836542 385498690 /nfs/dbraw/zinc/49/86/90/385498690.db2.gz KJBIAQJFIPFXAF-VIFPVBQESA-N 0 0 241.722 2.054 10 0 BEAERN COc1c(C=O)c(F)ccc1SC ZINC000257872921 385505218 /nfs/dbraw/zinc/50/52/18/385505218.db2.gz QRFFDMCDKSLGRG-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171974943 385536670 /nfs/dbraw/zinc/53/66/70/385536670.db2.gz MWSSISZVKKOPNL-WCQYABFASA-N 0 0 249.358 2.376 10 0 BEAERN Cc1cnn([C@@H]2CCCN(Cc3ccon3)C2)c1 ZINC000158001938 385542754 /nfs/dbraw/zinc/54/27/54/385542754.db2.gz HGERGNINTFXAIN-CYBMUJFWSA-N 0 0 246.314 2.017 10 0 BEAERN O=C(CC1=CCCCC1)N1CCN(C2CC2)CC1 ZINC000106755438 385525196 /nfs/dbraw/zinc/52/51/96/385525196.db2.gz BNYXHSKSOKLQSB-UHFFFAOYSA-N 0 0 248.370 2.184 10 0 BEAERN CC(C)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(=O)[nH]1 ZINC000181127077 385564415 /nfs/dbraw/zinc/56/44/15/385564415.db2.gz IJNSATRWDLVCOP-KWQFWETISA-N 0 0 234.299 2.049 10 0 BEAERN CO[C@@H](C)CCC(=O)N[C@H]1COc2ccccc21 ZINC000181257790 385568857 /nfs/dbraw/zinc/56/88/57/385568857.db2.gz QMUUWCZRTNSHQA-JQWIXIFHSA-N 0 0 249.310 2.051 10 0 BEAERN CCCCNC(=O)NCc1csc(CC)n1 ZINC000107726230 385581310 /nfs/dbraw/zinc/58/13/10/385581310.db2.gz YEQLVNWHKQEETP-UHFFFAOYSA-N 0 0 241.360 2.305 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(OC)c1F ZINC000259961177 385616745 /nfs/dbraw/zinc/61/67/45/385616745.db2.gz CODMYOWEXNOQGQ-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN Cc1ccc(F)c([C@@H]2NCCc3nc[nH]c32)c1 ZINC000065436211 385629355 /nfs/dbraw/zinc/62/93/55/385629355.db2.gz NDIYGFDVTHWRHE-LBPRGKRZSA-N 0 0 231.274 2.092 10 0 BEAERN CC(C)CC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197891 385608583 /nfs/dbraw/zinc/60/85/83/385608583.db2.gz KGHPLOGGUZRMIJ-SNVBAGLBSA-N 0 0 238.335 2.083 10 0 BEAERN COC(=O)[C@@H](C)N[C@H](C)C1C(C)(C)C1(C)C ZINC000309483253 385610308 /nfs/dbraw/zinc/61/03/08/385610308.db2.gz ULGXZANYZXZBHY-RKDXNWHRSA-N 0 0 227.348 2.208 10 0 BEAERN CO[C@@H](C)CCNc1nc(C)nc(C)c1F ZINC000309486815 385613675 /nfs/dbraw/zinc/61/36/75/385613675.db2.gz VRCHUILVGKVPFG-ZETCQYMHSA-N 0 0 227.283 2.069 10 0 BEAERN CC[C@@]12CO[C@H](C(C)C)N1[C@H](C(C)C)OC2 ZINC000252022188 385642847 /nfs/dbraw/zinc/64/28/47/385642847.db2.gz ZFNYRUONSKXJOW-ITGUQSILSA-N 0 0 227.348 2.462 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000336682656 385643412 /nfs/dbraw/zinc/64/34/12/385643412.db2.gz YNGCAFTWHTUGPY-GARJFASQSA-N 0 0 224.304 2.201 10 0 BEAERN CC(=O)CCCc1cn(CC(C)(C)C)nn1 ZINC000205304630 385647083 /nfs/dbraw/zinc/64/70/83/385647083.db2.gz YEEXPCFXEWJHBY-UHFFFAOYSA-N 0 0 223.320 2.236 10 0 BEAERN CSCCC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000118295588 385654756 /nfs/dbraw/zinc/65/47/56/385654756.db2.gz LUQYVFUHJKLVNR-DTWKUNHWSA-N 0 0 233.402 2.092 10 0 BEAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)C1CC1 ZINC000117580992 385656885 /nfs/dbraw/zinc/65/68/85/385656885.db2.gz LCRNYCLIDYGUGO-BFVZDQMLSA-N 0 0 245.322 2.466 10 0 BEAERN CN(C)c1cccc2n[nH]c([Si](C)(C)C)c21 ZINC000211462923 385685000 /nfs/dbraw/zinc/68/50/00/385685000.db2.gz DJHOEVSTOLPDMO-UHFFFAOYSA-N 0 0 233.391 2.174 10 0 BEAERN COC(=O)c1cc(Cl)c([O-])c(C(C)=O)c1 ZINC000211754629 385692769 /nfs/dbraw/zinc/69/27/69/385692769.db2.gz QMAXZJHNARJUPH-UHFFFAOYSA-N 0 0 228.631 2.035 10 0 BEAERN COC(=O)C[C@]12CCC(C)(C)[C@H]1CCO2 ZINC000211764964 385693468 /nfs/dbraw/zinc/69/34/68/385693468.db2.gz JTSRAEKLSXHSBO-BXKDBHETSA-N 0 0 212.289 2.145 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+][C@H](CC2CC2)C12CCCCC2 ZINC000211933678 385700955 /nfs/dbraw/zinc/70/09/55/385700955.db2.gz RHBXCFNALCPLHO-NWDGAFQWSA-N 0 0 237.343 2.410 10 0 BEAERN CCC[C@H](NCC1CC1)C(=O)OC(C)(C)C ZINC000185068143 385718368 /nfs/dbraw/zinc/71/83/68/385718368.db2.gz YUQHLKWSALWPPT-NSHDSACASA-N 0 0 227.348 2.496 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccc(F)cc1C ZINC000182430726 385668397 /nfs/dbraw/zinc/66/83/97/385668397.db2.gz AKBVUIFNBBRLSA-JTQLQIEISA-N 0 0 240.274 2.460 10 0 BEAERN CCOC(=O)C(F)(F)c1c(C)nn(CC)c1C ZINC000260180708 385728955 /nfs/dbraw/zinc/72/89/55/385728955.db2.gz LWZPBCJKNVRNLD-UHFFFAOYSA-N 0 0 246.257 2.175 10 0 BEAERN Cc1ccc([C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000040173762 385763758 /nfs/dbraw/zinc/76/37/58/385763758.db2.gz DQSBSYXLFOIAEC-GFCCVEGCSA-N 0 0 222.309 2.329 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2CSC[C@H]2C)n1 ZINC000309659955 385779221 /nfs/dbraw/zinc/77/92/21/385779221.db2.gz APQOZXIVCGTXFM-HZGVNTEJSA-N 0 0 241.335 2.396 10 0 BEAERN COC(=O)c1c(O)cc(C)cc1Cl ZINC000261135982 385806586 /nfs/dbraw/zinc/80/65/86/385806586.db2.gz MZMJNTNXOSHJQM-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CCc1nc(Cl)sc1C(=O)OC ZINC000261289733 385807848 /nfs/dbraw/zinc/80/78/48/385807848.db2.gz ZWLHPYHVUWGIKS-UHFFFAOYSA-N 0 0 205.666 2.146 10 0 BEAERN CCN(C)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000365852741 385827393 /nfs/dbraw/zinc/82/73/93/385827393.db2.gz CIWQFGWKGXJGOC-MNOVXSKESA-N 0 0 210.321 2.323 10 0 BEAERN CC(C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112670892 385841775 /nfs/dbraw/zinc/84/17/75/385841775.db2.gz MJTHOQPRXHTSDL-UHFFFAOYSA-N 0 0 249.358 2.084 10 0 BEAERN COC(=O)[C@]1(C(C)C)CC[C@](C)(C(=O)OC)C1 ZINC000216078071 385858993 /nfs/dbraw/zinc/85/89/93/385858993.db2.gz DZSWKBZPPVWXQL-QWHCGFSZSA-N 0 0 242.315 2.165 10 0 BEAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C ZINC000122426861 385916912 /nfs/dbraw/zinc/91/69/12/385916912.db2.gz DMJUBSXQRVGJBN-WDEREUQCSA-N 0 0 212.337 2.472 10 0 BEAERN COC(=O)Cc1ccc2c(c1)N(CC1CC1)CC2 ZINC000260626763 385919590 /nfs/dbraw/zinc/91/95/90/385919590.db2.gz KZFVIQDPQPDTAB-UHFFFAOYSA-N 0 0 245.322 2.175 10 0 BEAERN Cc1ccc(OCCN(C)C(=O)C(F)F)cc1 ZINC000219258711 385925218 /nfs/dbraw/zinc/92/52/18/385925218.db2.gz BAXOVLBORRFYRH-UHFFFAOYSA-N 0 0 243.253 2.097 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1OC(F)(F)F ZINC000616598339 385871443 /nfs/dbraw/zinc/87/14/43/385871443.db2.gz WVXLXWGSXAGQGQ-MRVPVSSYSA-N 0 0 241.253 2.370 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C)cc1O ZINC000260485531 385876332 /nfs/dbraw/zinc/87/63/32/385876332.db2.gz PGWVGWIVWFCCDD-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN O[C@@]12CCCC[C@H]1CN(CC(F)(F)F)CC2 ZINC000088023396 385977625 /nfs/dbraw/zinc/97/76/25/385977625.db2.gz SPKYAZPXRZFBEC-VHSXEESVSA-N 0 0 237.265 2.176 10 0 BEAERN CS[C@H]1CC[C@H]1Nc1nsnc1Cl ZINC000575558358 385999176 /nfs/dbraw/zinc/99/91/76/385999176.db2.gz CWGLUJDUNKDKBX-UHNVWZDZSA-N 0 0 235.765 2.497 10 0 BEAERN Clc1nccc(NCC[C@@H]2CCCO2)n1 ZINC000051850201 386030710 /nfs/dbraw/zinc/03/07/10/386030710.db2.gz AFASFLVJQHZWTC-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN CS[C@@H]1CC[C@@H]1Nc1ncc(N)s1 ZINC000575565102 386057599 /nfs/dbraw/zinc/05/75/99/386057599.db2.gz CQUBYDKRMQTGGJ-NTSWFWBYSA-N 0 0 215.347 2.031 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(Br)nn1 ZINC000575563767 386051134 /nfs/dbraw/zinc/05/11/34/386051134.db2.gz SWAPDMYZXQIKLZ-SSDOTTSWSA-N 0 0 244.136 2.117 10 0 BEAERN Cc1nc(C(=O)N2C[C@H]3CCC[C@H]32)c(C)s1 ZINC000334454044 386103179 /nfs/dbraw/zinc/10/31/79/386103179.db2.gz DXMMMIVSDKLVOZ-NXEZZACHSA-N 0 0 236.340 2.384 10 0 BEAERN COc1cccc(C(=O)N2C[C@@H]3CCC[C@H]32)c1O ZINC000334435856 386058193 /nfs/dbraw/zinc/05/81/93/386058193.db2.gz ZPKHGJLEIBZAPG-GXSJLCMTSA-N 0 0 247.294 2.025 10 0 BEAERN C[C@H](c1nncn1C1CC1)C(C)(F)F ZINC000307715012 386073143 /nfs/dbraw/zinc/07/31/43/386073143.db2.gz FFORUNRBIPSCIP-ZCFIWIBFSA-N 0 0 201.220 2.372 10 0 BEAERN CCN1CCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616644287 386151304 /nfs/dbraw/zinc/15/13/04/386151304.db2.gz ATWSZKLVEDXOHQ-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN O=C1Cc2c(c(F)c(F)cc2Cl)N1 ZINC000575578305 386202917 /nfs/dbraw/zinc/20/29/17/386202917.db2.gz QWLFDZULGFCWGX-UHFFFAOYSA-N 0 0 203.575 2.113 10 0 BEAERN C[C@@H](CF)Nc1cc(N)cc(Cl)n1 ZINC000575581910 386240998 /nfs/dbraw/zinc/24/09/98/386240998.db2.gz ADIVDRPLOICZJC-YFKPBYRVSA-N 0 0 203.648 2.087 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(F)n1 ZINC000125310189 386242592 /nfs/dbraw/zinc/24/25/92/386242592.db2.gz JLJZRYVSBKWASL-SCZZXKLOSA-N 0 0 222.263 2.139 10 0 BEAERN Cc1nc(-c2cncs2)cc(=S)[nH]1 ZINC000575582655 386248914 /nfs/dbraw/zinc/24/89/14/386248914.db2.gz PEHOTMAMZNZTEI-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCCO1 ZINC000125350105 386250280 /nfs/dbraw/zinc/25/02/80/386250280.db2.gz GZRSSLYCIQHQFH-UHFFFAOYSA-N 0 0 249.097 2.109 10 0 BEAERN Nc1ccc(Cl)cc1NC1CSC1 ZINC000575586281 386284931 /nfs/dbraw/zinc/28/49/31/386284931.db2.gz WRHQTJPRKGQHAW-UHFFFAOYSA-N 0 0 214.721 2.450 10 0 BEAERN Cn1c(N2C[C@@H]3CCC[C@H]32)nnc1C(C)(C)C ZINC000334490678 386339662 /nfs/dbraw/zinc/33/96/62/386339662.db2.gz SFZYJBMYKSYGHZ-VHSXEESVSA-N 0 0 234.347 2.101 10 0 BEAERN Cc1cscc1C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399199579 386445540 /nfs/dbraw/zinc/44/55/40/386445540.db2.gz BVDKYVPXRMYNSM-VHSXEESVSA-N 0 0 239.340 2.042 10 0 BEAERN CCOC(=O)c1nnc(CC2CCCC2)s1 ZINC000521400966 386449996 /nfs/dbraw/zinc/44/99/96/386449996.db2.gz HWASYWODEYZJDV-UHFFFAOYSA-N 0 0 240.328 2.448 10 0 BEAERN CC[C@](C)(CCO)Nc1nc(C2CC2)ns1 ZINC000092684503 386388553 /nfs/dbraw/zinc/38/85/53/386388553.db2.gz YAFILNDROZLADZ-LLVKDONJSA-N 0 0 241.360 2.379 10 0 BEAERN CN=[S@](C)(=O)c1cc(F)ccc1F ZINC000521399283 386424257 /nfs/dbraw/zinc/42/42/57/386424257.db2.gz AWBWCYUGTAOHCF-CYBMUJFWSA-N 0 0 205.229 2.051 10 0 BEAERN CN=[S@@](C)(=O)c1ccc(F)cc1F ZINC000521399858 386436525 /nfs/dbraw/zinc/43/65/25/386436525.db2.gz UQALSFKUTXYGPC-ZDUSSCGKSA-N 0 0 205.229 2.051 10 0 BEAERN CCc1nc(CN2C[C@H](O)CC[C@@H]2C)cs1 ZINC000399271560 386476097 /nfs/dbraw/zinc/47/60/97/386476097.db2.gz WVPBICICIBJMST-GXSJLCMTSA-N 0 0 240.372 2.051 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399280438 386477753 /nfs/dbraw/zinc/47/77/53/386477753.db2.gz YEKXFGDEMSBHFA-AAEUAGOBSA-N 0 0 248.326 2.372 10 0 BEAERN C[C@@H](Nc1nccn(C2CC2)c1=O)c1ccco1 ZINC000061763108 386482241 /nfs/dbraw/zinc/48/22/41/386482241.db2.gz OJUYUPMAGXEDEY-SECBINFHSA-N 0 0 245.282 2.344 10 0 BEAERN O=c1c(NCCC2CCC2)nccn1C1CC1 ZINC000165043397 386498208 /nfs/dbraw/zinc/49/82/08/386498208.db2.gz KTEQKFGBPZRECE-UHFFFAOYSA-N 0 0 233.315 2.180 10 0 BEAERN Nc1cnc(C2CCSCC2)s1 ZINC000299890217 386498429 /nfs/dbraw/zinc/49/84/29/386498429.db2.gz WANJGZDDUVYROT-UHFFFAOYSA-N 0 0 200.332 2.336 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2cccc(N)c2)C1 ZINC000135287969 386500580 /nfs/dbraw/zinc/50/05/80/386500580.db2.gz AXSFSJQYXHZGQU-GFCCVEGCSA-N 0 0 232.327 2.387 10 0 BEAERN C[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCOC1 ZINC000135303827 386500714 /nfs/dbraw/zinc/50/07/14/386500714.db2.gz UYSALJLUOAJPJU-GHMZBOCLSA-N 0 0 240.347 2.043 10 0 BEAERN Cn1nccc1CNc1ccnc(Cl)c1 ZINC000122629315 386507263 /nfs/dbraw/zinc/50/72/63/386507263.db2.gz YHJLYWLBEAXOKU-UHFFFAOYSA-N 0 0 222.679 2.081 10 0 BEAERN COc1cc(F)c(F)cc1C(=O)C(F)F ZINC000379987726 386518914 /nfs/dbraw/zinc/51/89/14/386518914.db2.gz WAESOXYWHDVGDK-UHFFFAOYSA-N 0 0 222.137 2.421 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000103387334 386578942 /nfs/dbraw/zinc/57/89/42/386578942.db2.gz QRFQEONTFSMRQO-PSASIEDQSA-N 0 0 239.315 2.356 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1ccc2nnc(C)n2n1 ZINC000267746607 386580954 /nfs/dbraw/zinc/58/09/54/386580954.db2.gz XHQXEAPAPZWCRU-ZJUUUORDSA-N 0 0 231.303 2.033 10 0 BEAERN CCc1cc(C#N)c(OC)cc1[N+](=O)[O-] ZINC000575644759 386588398 /nfs/dbraw/zinc/58/83/98/386588398.db2.gz AXVMTRFLGMNFIB-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN c1coc(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000245545842 386596291 /nfs/dbraw/zinc/59/62/91/386596291.db2.gz UMPDKQKKXVHSJS-CHWSQXEVSA-N 0 0 221.300 2.423 10 0 BEAERN CCN(C)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000111890481 386597239 /nfs/dbraw/zinc/59/72/39/386597239.db2.gz WZBZTGYSNHTBDK-QWHCGFSZSA-N 0 0 232.327 2.451 10 0 BEAERN COC(=O)c1c(C)cc(N)cc1C(F)(F)F ZINC000575639435 386560279 /nfs/dbraw/zinc/56/02/79/386560279.db2.gz GTABIFAGGBDZOJ-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN Cn1cccc1C(=O)CSC1CCOCC1 ZINC000062055231 386564597 /nfs/dbraw/zinc/56/45/97/386564597.db2.gz USDQUQHPBFOSCZ-UHFFFAOYSA-N 0 0 239.340 2.120 10 0 BEAERN CCc1cc(OC(F)F)c(C#N)cc1CO ZINC000575641512 386572783 /nfs/dbraw/zinc/57/27/83/386572783.db2.gz VVFOIUPNNWGOCE-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN Cc1nnc(SC[C@@H](O)C(C)(C)C)s1 ZINC000308615176 386573373 /nfs/dbraw/zinc/57/33/73/386573373.db2.gz ZTNVADREVUPUDO-SSDOTTSWSA-N 0 0 232.374 2.346 10 0 BEAERN N#Cc1cc(OC(F)F)cc(C=O)c1F ZINC000575641504 386573873 /nfs/dbraw/zinc/57/38/73/386573873.db2.gz VTKWGKMLPOUWBR-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CC[C@H](C)c1noc(CCSC)n1 ZINC000336646740 386638181 /nfs/dbraw/zinc/63/81/81/386638181.db2.gz CYYFCPCFDCRXNK-ZETCQYMHSA-N 0 0 200.307 2.489 10 0 BEAERN CC(C)[S@](=O)Nc1ccnc(Cl)c1 ZINC000307423496 386652345 /nfs/dbraw/zinc/65/23/45/386652345.db2.gz PKMWIEUSVFTZMF-ZDUSSCGKSA-N 0 0 218.709 2.219 10 0 BEAERN C[C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@@H](C)O1 ZINC000335467997 386683797 /nfs/dbraw/zinc/68/37/97/386683797.db2.gz RLPTVVXWXQDAJP-IBQNZTRDSA-N 0 0 237.343 2.203 10 0 BEAERN CCOC(=O)Cc1cccc(OC(F)(F)F)n1 ZINC000575340462 386684567 /nfs/dbraw/zinc/68/45/67/386684567.db2.gz VZJVWIAAHGURDU-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN CC[C@H](OC)c1noc([C@@H]2C[C@]23CCOC3)n1 ZINC000329563183 386707498 /nfs/dbraw/zinc/70/74/98/386707498.db2.gz GRTZUXXLJYGBFL-AUTRQRHGSA-N 0 0 238.287 2.061 10 0 BEAERN CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000645096919 386712734 /nfs/dbraw/zinc/71/27/34/386712734.db2.gz JPXONEALRNIKGW-UKKRHICBSA-N 0 0 210.321 2.273 10 0 BEAERN CC(C)OCC(C)(C)NC(=O)OC(C)C ZINC000396356643 386729733 /nfs/dbraw/zinc/72/97/33/386729733.db2.gz HKTFVLVTJGQXST-UHFFFAOYSA-N 0 0 217.309 2.325 10 0 BEAERN C[C@@H](NC(=O)c1ccoc1Cl)[C@@H]1CCCO1 ZINC000192393394 386763139 /nfs/dbraw/zinc/76/31/39/386763139.db2.gz RVTGOVAYYHAVIC-APPZFPTMSA-N 0 0 243.690 2.230 10 0 BEAERN CCOC(=O)c1nc(OC(F)(F)F)ccc1C ZINC000575375180 386799032 /nfs/dbraw/zinc/79/90/32/386799032.db2.gz UOPOJLRBKDBDQS-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCOC(=O)c1cc(OC(F)(F)F)cc(C)n1 ZINC000575374968 386800619 /nfs/dbraw/zinc/80/06/19/386800619.db2.gz DCMWVXPHAMHZMX-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCOc1cc(C(=O)N(C)CC)ccc1C ZINC000113024253 386829239 /nfs/dbraw/zinc/82/92/39/386829239.db2.gz ZZRQJBFEXDRECB-UHFFFAOYSA-N 0 0 221.300 2.486 10 0 BEAERN FC(F)n1ccnc1CN1C[C@H]2CCC[C@H]21 ZINC000334789596 386853353 /nfs/dbraw/zinc/85/33/53/386853353.db2.gz ZIGSTZUYNMIMDE-RKDXNWHRSA-N 0 0 227.258 2.263 10 0 BEAERN CC[C@H](N[C@H](C)c1csc(C)n1)C(=O)OC ZINC000303589596 386844686 /nfs/dbraw/zinc/84/46/86/386844686.db2.gz VMADDQYNGIVLPT-APPZFPTMSA-N 0 0 242.344 2.054 10 0 BEAERN COCc1nsc(N[C@H](C)c2ccco2)n1 ZINC000301602400 386858156 /nfs/dbraw/zinc/85/81/56/386858156.db2.gz WHTFISIEFCZANB-SSDOTTSWSA-N 0 0 239.300 2.451 10 0 BEAERN Cc1ccc([C@@](C)(O)CNc2ncc(C)cn2)o1 ZINC000301820697 386882292 /nfs/dbraw/zinc/88/22/92/386882292.db2.gz BDMXBWODANVPMN-ZDUSSCGKSA-N 0 0 247.298 2.006 10 0 BEAERN CC[C@@H](CN[C@H](C)c1ncc(C)o1)OC ZINC000336739636 386886970 /nfs/dbraw/zinc/88/69/70/386886970.db2.gz SPVNWLJSPBCAHE-ZJUUUORDSA-N 0 0 212.293 2.059 10 0 BEAERN Cc1nc(C)c(F)c(N2CCSC[C@@H]2C)n1 ZINC000335764126 386905224 /nfs/dbraw/zinc/90/52/24/386905224.db2.gz FRKAWCASTXNUEV-ZETCQYMHSA-N 0 0 241.335 2.174 10 0 BEAERN O=C(c1ccon1)N1CCC[C@@H]1c1ccco1 ZINC000116211778 386928354 /nfs/dbraw/zinc/92/83/54/386928354.db2.gz IMUTTZRWHYPODA-SNVBAGLBSA-N 0 0 232.239 2.245 10 0 BEAERN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363077 386941150 /nfs/dbraw/zinc/94/11/50/386941150.db2.gz DAMLPWXQCNKISQ-BDAKNGLRSA-N 0 0 248.248 2.046 10 0 BEAERN Cc1cnc(N[C@@H](C)[C@H]2CCCO2)s1 ZINC000302848042 386941628 /nfs/dbraw/zinc/94/16/28/386941628.db2.gz OPQYLUPEXXPQHR-DTWKUNHWSA-N 0 0 212.318 2.431 10 0 BEAERN COc1ccc([C@@]2(O)CCSC2)cc1 ZINC000084390786 386944835 /nfs/dbraw/zinc/94/48/35/386944835.db2.gz WOWDUWHHNGXCTN-LLVKDONJSA-N 0 0 210.298 2.020 10 0 BEAERN Cc1cnc(NC[C@H](O)C(C)(C)C)s1 ZINC000302909239 386945479 /nfs/dbraw/zinc/94/54/79/386945479.db2.gz YMFYGSZGRKLHHM-QMMMGPOBSA-N 0 0 214.334 2.270 10 0 BEAERN CCCC[C@@H](C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324324398 386957606 /nfs/dbraw/zinc/95/76/06/386957606.db2.gz IUCFSNUBWRPYSE-GHMZBOCLSA-N 0 0 229.364 2.336 10 0 BEAERN CCc1nc(-c2occc2Br)n[nH]1 ZINC000575575008 386975623 /nfs/dbraw/zinc/97/56/23/386975623.db2.gz PZHMXPJKFPPIND-UHFFFAOYSA-N 0 0 242.076 2.390 10 0 BEAERN CCOCCOc1cccc(F)c1F ZINC000575191249 386978942 /nfs/dbraw/zinc/97/89/42/386978942.db2.gz UOVNHSPIWPOFSH-UHFFFAOYSA-N 0 0 201.192 2.447 10 0 BEAERN c1c[nH]c([C@H]2CCOc3ccccc32)n1 ZINC000114549059 386994101 /nfs/dbraw/zinc/99/41/01/386994101.db2.gz KWVOBFORBZSISP-JTQLQIEISA-N 0 0 200.241 2.324 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1cccc(F)c1F ZINC000399480908 387001126 /nfs/dbraw/zinc/00/11/26/387001126.db2.gz QBHWUBPMYYJHCL-ONGXEEELSA-N 0 0 241.281 2.310 10 0 BEAERN O=Cc1nnc(-c2ccc(Cl)o2)s1 ZINC000575575930 387005258 /nfs/dbraw/zinc/00/52/58/387005258.db2.gz KBPKJYPWKJJZFG-UHFFFAOYSA-N 0 0 214.633 2.264 10 0 BEAERN C[C@@H]1CC[C@H](n2cnn(C(C)(C)C)c2=O)C1 ZINC000334953922 387032372 /nfs/dbraw/zinc/03/23/72/387032372.db2.gz ACHKVYPRILCFNF-ZJUUUORDSA-N 0 0 223.320 2.161 10 0 BEAERN COC(=O)C[C@@]1(C)C=Cc2cccc(OC)c2O1 ZINC000575423724 387036816 /nfs/dbraw/zinc/03/68/16/387036816.db2.gz ZQLWNDVQRKWCSP-CQSZACIVSA-N 0 0 248.278 2.423 10 0 BEAERN CCOc1cc(O)c(OC(F)F)c(OC)c1 ZINC000575655370 387039494 /nfs/dbraw/zinc/03/94/94/387039494.db2.gz DHLRUJGKDPQHSL-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1ccc(CO)c(OC(F)F)c1F ZINC000575656382 387042018 /nfs/dbraw/zinc/04/20/18/387042018.db2.gz PIMDPOZBGNKZQW-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1cc(O)c(OC(F)F)cc1OC ZINC000575657707 387044287 /nfs/dbraw/zinc/04/42/87/387044287.db2.gz VKACOGGGNBBHOC-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1ccc(C)c(OC(F)F)c1CO ZINC000575657249 387044682 /nfs/dbraw/zinc/04/46/82/387044682.db2.gz KWQTYRFFIVANGP-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCc1cc(OC(F)F)cc(OC)c1CO ZINC000575657499 387045844 /nfs/dbraw/zinc/04/58/44/387045844.db2.gz NHOVUASYWDWHCI-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1cc(OC(F)F)cc(CO)c1OC ZINC000575657432 387045936 /nfs/dbraw/zinc/04/59/36/387045936.db2.gz KSNOEKHVYKLTQE-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN COc1cc(C=O)c(F)c(OC(F)F)c1 ZINC000575659598 387047613 /nfs/dbraw/zinc/04/76/13/387047613.db2.gz GVPKSMINBCAIKF-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C[C@H]1C[C@]1(C)Nc1ncc(Br)cn1 ZINC000575580826 387050780 /nfs/dbraw/zinc/05/07/80/387050780.db2.gz XOLSWNJFXXPGPL-RCOVLWMOSA-N 0 0 242.120 2.450 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2ccccc2N)C1 ZINC000126696703 387051381 /nfs/dbraw/zinc/05/13/81/387051381.db2.gz RXDUQACBACWUSU-LLVKDONJSA-N 0 0 232.327 2.387 10 0 BEAERN Cc1c(F)cc(OC(F)F)cc1CO ZINC000575661042 387051675 /nfs/dbraw/zinc/05/16/75/387051675.db2.gz GPTDHFGQOAHZLB-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Cc1ccc(F)c(OC(F)F)c1CO ZINC000575660914 387054293 /nfs/dbraw/zinc/05/42/93/387054293.db2.gz CXHQBTBGTOASBP-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCOC1(OCC)CCc2ncccc21 ZINC000575432178 387055059 /nfs/dbraw/zinc/05/50/59/387055059.db2.gz MESRWAXPDMQRKL-UHFFFAOYSA-N 0 0 207.273 2.254 10 0 BEAERN CCCCN1c2ccccc2[C@@]2(CO2)C1=O ZINC000575434206 387057660 /nfs/dbraw/zinc/05/76/60/387057660.db2.gz IOXIJHGCLCXGIW-ZDUSSCGKSA-N 0 0 217.268 2.059 10 0 BEAERN Cc1c(F)c(CO)ccc1OC(F)F ZINC000575661378 387060344 /nfs/dbraw/zinc/06/03/44/387060344.db2.gz NCPZEZJIRYGWEV-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN N[C@H](c1cncs1)c1sccc1F ZINC000575465946 387061944 /nfs/dbraw/zinc/06/19/44/387061944.db2.gz LXVOVRKOZLNVAE-SSDOTTSWSA-N 0 0 214.290 2.392 10 0 BEAERN CC(C)[C@H](C)N1C(=O)NC2(CCCCC2)C1=O ZINC000334976712 387063794 /nfs/dbraw/zinc/06/37/94/387063794.db2.gz HWJFPNZXYVQFHP-JTQLQIEISA-N 0 0 238.331 2.286 10 0 BEAERN OC[C@H]1Cc2occc2C[N@@H+]1CC1CCCC1 ZINC000575407931 387009967 /nfs/dbraw/zinc/00/99/67/387009967.db2.gz VARGZLYCYVCAPD-CYBMUJFWSA-N 0 0 235.327 2.189 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000117226806 387015246 /nfs/dbraw/zinc/01/52/46/387015246.db2.gz YXSKNFIKIUREGE-AXFHLTTASA-N 0 0 245.388 2.059 10 0 BEAERN S=c1[nH]nc([C@@H]2CCCSCC2)[nH]1 ZINC000575576261 387021934 /nfs/dbraw/zinc/02/19/34/387021934.db2.gz JFVVDCNNRVFARH-ZCFIWIBFSA-N 0 0 215.347 2.094 10 0 BEAERN FC1(F)CCc2nc(Cl)ncc2C1 ZINC000575458160 387024666 /nfs/dbraw/zinc/02/46/66/387024666.db2.gz VGXPQZQBSGOIIV-UHFFFAOYSA-N 0 0 204.607 2.254 10 0 BEAERN C[C@@]1(Cn2cc[nH]c2=S)CC1(F)F ZINC000575577188 387028078 /nfs/dbraw/zinc/02/80/78/387028078.db2.gz IEKUVLQBDJYMTO-ZETCQYMHSA-N 0 0 204.245 2.217 10 0 BEAERN C[C@]1(Cn2cc[nH]c2=S)CC1(F)F ZINC000575577172 387029537 /nfs/dbraw/zinc/02/95/37/387029537.db2.gz IEKUVLQBDJYMTO-SSDOTTSWSA-N 0 0 204.245 2.217 10 0 BEAERN C[C@@H](CC(=O)NCc1ncc[nH]1)C(C)(C)C ZINC000070651569 387071972 /nfs/dbraw/zinc/07/19/72/387071972.db2.gz JNSSFFHTKNKAEW-VIFPVBQESA-N 0 0 223.320 2.098 10 0 BEAERN Cc1cc(Cl)cc(N)c1OC(N)=O ZINC000575468012 387078408 /nfs/dbraw/zinc/07/84/08/387078408.db2.gz OQFUBVXGDQODOL-UHFFFAOYSA-N 0 0 200.625 2.102 10 0 BEAERN COC(=O)[C@@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000193102730 387089956 /nfs/dbraw/zinc/08/99/56/387089956.db2.gz ZVOQJRIHLGLKNK-GMTAPVOTSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1ccc2sc(S(C)(=O)=O)nc2c1 ZINC000575436300 387099543 /nfs/dbraw/zinc/09/95/43/387099543.db2.gz DQNQUQKISOMADI-UHFFFAOYSA-N 0 0 227.310 2.008 10 0 BEAERN CON(C)C(=O)c1cccc2nc(C)ccc21 ZINC000575436889 387103953 /nfs/dbraw/zinc/10/39/53/387103953.db2.gz UYNNCVYRNYYDCA-UHFFFAOYSA-N 0 0 230.267 2.177 10 0 BEAERN CC(C)c1cc(C(=O)N[C@@H](C)CC2CC2)[nH]n1 ZINC000112690918 387106968 /nfs/dbraw/zinc/10/69/68/387106968.db2.gz RUJDLRHPLPNRQN-VIFPVBQESA-N 0 0 235.331 2.452 10 0 BEAERN Brc1nsc(-c2ccsn2)n1 ZINC000575471726 387107729 /nfs/dbraw/zinc/10/77/29/387107729.db2.gz WBOLJLAJWYCKHW-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN Cc1ccc(Cn2cc(N)cn2)c(C)c1 ZINC000071508259 387108895 /nfs/dbraw/zinc/10/88/95/387108895.db2.gz LBRZMKZONLYPMK-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Nc1ncc(-c2cncc(Cl)c2)s1 ZINC000575471976 387110939 /nfs/dbraw/zinc/11/09/39/387110939.db2.gz RSYDIIRPKJLRNM-UHFFFAOYSA-N 0 0 211.677 2.271 10 0 BEAERN COC(=O)[C@H](CC(C)C)n1cccc1C=O ZINC000043437040 387151823 /nfs/dbraw/zinc/15/18/23/387151823.db2.gz WKNDIVOAKRQKED-NSHDSACASA-N 0 0 223.272 2.061 10 0 BEAERN CC(=O)c1cc(O)c(C=O)c(OC(F)F)c1 ZINC000575661912 387153966 /nfs/dbraw/zinc/15/39/66/387153966.db2.gz UPZFGOTYQFLNOL-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN Cn1c(CN2CCCC3(CC3)C2)nnc1C1CC1 ZINC000186962620 387155440 /nfs/dbraw/zinc/15/54/40/387155440.db2.gz SGFMMPNMDROZNJ-UHFFFAOYSA-N 0 0 246.358 2.069 10 0 BEAERN O=C(c1cncc(O)c1)N1C[C@H]2CCCCC[C@H]21 ZINC000371162489 387157638 /nfs/dbraw/zinc/15/76/38/387157638.db2.gz DJDHWAMYHHKFFK-ZWNOBZJWSA-N 0 0 246.310 2.192 10 0 BEAERN Cc1ccc(CO)c(OC(F)F)c1F ZINC000575661964 387160141 /nfs/dbraw/zinc/16/01/41/387160141.db2.gz XJVSBPWTLOESRR-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Fc1cccc(NC2COC2)c1Cl ZINC000575478225 387161248 /nfs/dbraw/zinc/16/12/48/387161248.db2.gz MLLMZSORHAZLEM-UHFFFAOYSA-N 0 0 201.628 2.290 10 0 BEAERN CC[S@](C)(=O)=Nc1cn(C)nc1C(C)C ZINC000536950359 387161992 /nfs/dbraw/zinc/16/19/92/387161992.db2.gz HGLUVIOIGJYRSI-HNNXBMFYSA-N 0 0 229.349 2.293 10 0 BEAERN C[C@H]1CCc2nc(C(C)(C)C)cc(=O)n21 ZINC000536950313 387161999 /nfs/dbraw/zinc/16/19/99/387161999.db2.gz GDWMGHGTJRWDIT-QMMMGPOBSA-N 0 0 206.289 2.048 10 0 BEAERN C[C@@H]1CC[C@@H]1Nc1cnn(C)c1Br ZINC000575478610 387162232 /nfs/dbraw/zinc/16/22/32/387162232.db2.gz IJKHZZGYMWHJJY-RQJHMYQMSA-N 0 0 244.136 2.393 10 0 BEAERN Cc1ccccc1[C@@H]1CNC(=O)C12CCC2 ZINC000536951462 387163259 /nfs/dbraw/zinc/16/32/59/387163259.db2.gz QZUXKKCQZRSAFQ-LBPRGKRZSA-N 0 0 215.296 2.379 10 0 BEAERN O=C1NC[C@H](c2ccc(F)cc2)C12CCC2 ZINC000536951237 387164008 /nfs/dbraw/zinc/16/40/08/387164008.db2.gz OGHNFAXDCIETJV-LLVKDONJSA-N 0 0 219.259 2.209 10 0 BEAERN [NH3+]C[C@H](c1ccc(O)cc1)C1(C(=O)[O-])CCCC1 ZINC000536953047 387165140 /nfs/dbraw/zinc/16/51/40/387165140.db2.gz GQRGKUCIADYHIA-GFCCVEGCSA-N 0 0 249.310 2.080 10 0 BEAERN [NH3+]C[C@@H](c1cccc(O)c1)C1(C(=O)[O-])CCCC1 ZINC000536953016 387166034 /nfs/dbraw/zinc/16/60/34/387166034.db2.gz GNESECIEJCRHNF-LBPRGKRZSA-N 0 0 249.310 2.080 10 0 BEAERN CCOC(=O)c1ccn(-c2cccc(OC)c2)n1 ZINC000536955804 387169375 /nfs/dbraw/zinc/16/93/75/387169375.db2.gz UCMSUUNYZLULPP-UHFFFAOYSA-N 0 0 246.266 2.058 10 0 BEAERN NC(=O)c1cnc(Cl)c2sccc21 ZINC000536957064 387170299 /nfs/dbraw/zinc/17/02/99/387170299.db2.gz BHRDAIALOVKZQI-UHFFFAOYSA-N 0 0 212.661 2.049 10 0 BEAERN C[C@@H]1C[C@]1(C)Nc1cc(Br)ncn1 ZINC000575587959 387174876 /nfs/dbraw/zinc/17/48/76/387174876.db2.gz ASBWNYLAJUVFGB-MUWHJKNJSA-N 0 0 242.120 2.450 10 0 BEAERN CCOc1cc(N[C@@H](C)c2ncc(C)o2)ncn1 ZINC000228861342 387134120 /nfs/dbraw/zinc/13/41/20/387134120.db2.gz ZEHHREMUMAUDKG-VIFPVBQESA-N 0 0 248.286 2.345 10 0 BEAERN CCOC(=O)Cc1ccc(C(C)=O)cc1F ZINC000575442000 387138581 /nfs/dbraw/zinc/13/85/81/387138581.db2.gz HOBFCLUBSAEHIE-UHFFFAOYSA-N 0 0 224.231 2.134 10 0 BEAERN CC(C)(C)OC(=O)n1ccc2nccnc21 ZINC000575441995 387138700 /nfs/dbraw/zinc/13/87/00/387138700.db2.gz MDGZRSMBGRMSTO-UHFFFAOYSA-N 0 0 219.244 2.215 10 0 BEAERN CCOC(=O)Cc1ccc(F)cc1C(C)=O ZINC000575442008 387138783 /nfs/dbraw/zinc/13/87/83/387138783.db2.gz HYFOEDCXXBARQD-UHFFFAOYSA-N 0 0 224.231 2.134 10 0 BEAERN C[C@H]1CCN1c1ncc(Br)cc1N ZINC000575590644 387202107 /nfs/dbraw/zinc/20/21/07/387202107.db2.gz KDLHQDLGQWJBDZ-LURJTMIESA-N 0 0 242.120 2.025 10 0 BEAERN C[C@@H]1CCN1c1nc(Cl)c(C=O)s1 ZINC000575590896 387210293 /nfs/dbraw/zinc/21/02/93/387210293.db2.gz TXLDLVTUUYMONY-RXMQYKEDSA-N 0 0 216.693 2.208 10 0 BEAERN CCC(O)(CC)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000230173615 387240183 /nfs/dbraw/zinc/24/01/83/387240183.db2.gz QYIORGNWDMNWJK-QWRGUYRKSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1 ZINC000230175002 387240952 /nfs/dbraw/zinc/24/09/52/387240952.db2.gz VEEPAYHXYSSRKA-ZWNOBZJWSA-N 0 0 233.311 2.445 10 0 BEAERN CC(C)C1(CNC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000120488285 387250158 /nfs/dbraw/zinc/25/01/58/387250158.db2.gz KBBSSIHPLITVJN-WDEREUQCSA-N 0 0 225.332 2.106 10 0 BEAERN CCc1cc(CO)cc(C(F)F)c1C=O ZINC000575666019 387312234 /nfs/dbraw/zinc/31/22/34/387312234.db2.gz CXXJKNSMRJYAQU-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN COc1cc(C)c(C=O)cc1OC(F)F ZINC000575665546 387315523 /nfs/dbraw/zinc/31/55/23/387315523.db2.gz PITUGZIPUYGPBT-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COCc1cnc(NCc2cccnc2)s1 ZINC000285334939 387259796 /nfs/dbraw/zinc/25/97/96/387259796.db2.gz XXKOKZIAQOBOJR-UHFFFAOYSA-N 0 0 235.312 2.297 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](O)C(C)(C)C ZINC000424734793 387262055 /nfs/dbraw/zinc/26/20/55/387262055.db2.gz UXXOQVXSUITHBK-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1c(O)c(OC(F)F)ccc1C=O ZINC000575663011 387269818 /nfs/dbraw/zinc/26/98/18/387269818.db2.gz ORYQNWYZPHJVGN-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN C[C@H]1CSC[C@H]1Nc1cnsc1 ZINC000575493329 387273435 /nfs/dbraw/zinc/27/34/35/387273435.db2.gz FEMKLOGQCLRJOS-POYBYMJQSA-N 0 0 200.332 2.307 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCCC1(C)C ZINC000324473650 387275831 /nfs/dbraw/zinc/27/58/31/387275831.db2.gz HOBNGBOBZHPSAM-GHMZBOCLSA-N 0 0 241.375 2.336 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)N(C)C)cn1 ZINC000231662052 387277880 /nfs/dbraw/zinc/27/78/80/387277880.db2.gz REORMGZUPLIQCC-JQWIXIFHSA-N 0 0 247.342 2.384 10 0 BEAERN COc1cc(C)c(OC(F)F)c(O)c1 ZINC000575664102 387290356 /nfs/dbraw/zinc/29/03/56/387290356.db2.gz BRZQYZKQPVLZEM-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCOC(=O)c1cc(C)c(C)c(OC)c1 ZINC000260159783 387305244 /nfs/dbraw/zinc/30/52/44/387305244.db2.gz OAIMJOMUBUPGBB-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN O=C(c1ccccc1F)N1CC[C@H]2OCC[C@H]2C1 ZINC000373298994 387356267 /nfs/dbraw/zinc/35/62/67/387356267.db2.gz LOTWHWVTRNMJBE-GXFFZTMASA-N 0 0 249.285 2.077 10 0 BEAERN C[C@H]1CCN1c1cc(Cl)nc(Cl)n1 ZINC000575600066 387356439 /nfs/dbraw/zinc/35/64/39/387356439.db2.gz KYEHVNAPCSBRLM-YFKPBYRVSA-N 0 0 218.087 2.382 10 0 BEAERN Brc1csc(N[C@H]2C=CCC2)n1 ZINC000575503152 387357335 /nfs/dbraw/zinc/35/73/35/387357335.db2.gz DNOSVLGSSAQVMM-LURJTMIESA-N 0 0 245.145 2.458 10 0 BEAERN O=c1[nH]c(C(F)(F)F)nc2c(Cl)nccc12 ZINC000575601362 387362551 /nfs/dbraw/zinc/36/25/51/387362551.db2.gz BGUDHJFYVXXIPZ-UHFFFAOYSA-N 0 0 249.579 2.403 10 0 BEAERN Nc1ccn(C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000575601714 387364695 /nfs/dbraw/zinc/36/46/95/387364695.db2.gz HBOAIDVJJSAYHY-RYUDHWBXSA-N 0 0 213.284 2.099 10 0 BEAERN Cc1ccc([C@@H]2C[C@@H]2Cn2ccc(N)n2)cc1 ZINC000575602919 387365767 /nfs/dbraw/zinc/36/57/67/387365767.db2.gz WIQMLYUWCSOULP-OLZOCXBDSA-N 0 0 227.311 2.408 10 0 BEAERN Nc1ccc(C(=O)NC2CC2)c2ccccc12 ZINC000575602029 387368773 /nfs/dbraw/zinc/36/87/73/387368773.db2.gz CWEIXZRVBUMBNK-UHFFFAOYSA-N 0 0 226.279 2.314 10 0 BEAERN Nc1cnn(C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000575602406 387371790 /nfs/dbraw/zinc/37/17/90/387371790.db2.gz OCRGUKZYNIYNPC-WCQYABFASA-N 0 0 213.284 2.269 10 0 BEAERN CCOc1ccc(-c2ccnc(N)c2C=O)cc1 ZINC000575602698 387373077 /nfs/dbraw/zinc/37/30/77/387373077.db2.gz SXNFMGXAMSTQMY-UHFFFAOYSA-N 0 0 242.278 2.372 10 0 BEAERN O=Cc1cc(F)cc(Br)c1C=O ZINC000575689328 387377824 /nfs/dbraw/zinc/37/78/24/387377824.db2.gz CLUCQZIIUFYILQ-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN COc1cc(Br)c(CO)cc1F ZINC000575689178 387379859 /nfs/dbraw/zinc/37/98/59/387379859.db2.gz SIJQGIGMDHVUEQ-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1nnc(N[C@H]2CCc3ccccc32)o1 ZINC000286237922 387319684 /nfs/dbraw/zinc/31/96/84/387319684.db2.gz ULDIRGXYCKBUIN-NSHDSACASA-N 0 0 215.256 2.477 10 0 BEAERN CCOc1cc(CO)cc(C(F)F)c1O ZINC000575666766 387319901 /nfs/dbraw/zinc/31/99/01/387319901.db2.gz LWIWBZNAMRDOHG-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CC(=O)CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121284291 387321765 /nfs/dbraw/zinc/32/17/65/387321765.db2.gz NKNLMFKMYLCPDL-OAHLLOKOSA-N 0 0 247.338 2.213 10 0 BEAERN O=C(CO)c1cc(Cl)cc(Cl)c1F ZINC000575497837 387326970 /nfs/dbraw/zinc/32/69/70/387326970.db2.gz MQZUCZARIYBGFC-UHFFFAOYSA-N 0 0 223.030 2.308 10 0 BEAERN CCc1cc(CC)nc(N[C@H]2CCO[C@H]2C)n1 ZINC000286494198 387331661 /nfs/dbraw/zinc/33/16/61/387331661.db2.gz MNNNCCLKWOHLTB-CABZTGNLSA-N 0 0 235.331 2.191 10 0 BEAERN CCCc1ncc(Br)c(F)n1 ZINC000575596402 387339031 /nfs/dbraw/zinc/33/90/31/387339031.db2.gz WKDAZTUILGOXKM-UHFFFAOYSA-N 0 0 219.057 2.331 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(OC)c1C ZINC000575672595 387339995 /nfs/dbraw/zinc/33/99/95/387339995.db2.gz APLMZZJAZGMMSP-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN COc1ccc(C(F)(F)F)c(OC)c1O ZINC000575671822 387341584 /nfs/dbraw/zinc/34/15/84/387341584.db2.gz OPZHTOXHSWJBSQ-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN C[C@@H]1[C@@H](C)CN1c1cc(Br)ncn1 ZINC000575599233 387350743 /nfs/dbraw/zinc/35/07/43/387350743.db2.gz CWWJKVVDKUYJJM-NKWVEPMBSA-N 0 0 242.120 2.084 10 0 BEAERN C[C@H]1CN(c2nnc(Br)s2)[C@H]1C ZINC000575599637 387353560 /nfs/dbraw/zinc/35/35/60/387353560.db2.gz QZCURGANQNJGTA-WHFBIAKZSA-N 0 0 248.149 2.145 10 0 BEAERN CC(=O)c1cc(N)c(C)cc1OC(F)F ZINC000575718042 387423470 /nfs/dbraw/zinc/42/34/70/387423470.db2.gz XWAJDHUDYXEXAN-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC1CN(c2cccc(Br)c2N)C1 ZINC000575515704 387425131 /nfs/dbraw/zinc/42/51/31/387425131.db2.gz SQEOLJQATNGDGP-UHFFFAOYSA-N 0 0 241.132 2.487 10 0 BEAERN COC(=O)c1c(O)cc(F)cc1C(F)(F)F ZINC000575714708 387428397 /nfs/dbraw/zinc/42/83/97/387428397.db2.gz WUMAADVUVXBYRQ-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN CC(=O)c1cc(OC(F)F)cc(F)c1N ZINC000575715993 387431009 /nfs/dbraw/zinc/43/10/09/387431009.db2.gz DGHYLDQSIABGGM-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CC(=O)c1cc(N)cc(OC(F)F)c1F ZINC000575716126 387432080 /nfs/dbraw/zinc/43/20/80/387432080.db2.gz LLMJYKRBKBHUGG-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CCOC(=O)c1cc(O)cc(N)c1C(F)(F)F ZINC000575726065 387461542 /nfs/dbraw/zinc/46/15/42/387461542.db2.gz YORMOPAKIYSBJB-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CC(=O)c1c(N)ccc(OC(F)F)c1C ZINC000575716655 387433987 /nfs/dbraw/zinc/43/39/87/387433987.db2.gz HDTHVCQNCUZTQP-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1cc(N)cc(F)c1OC(F)F ZINC000575716654 387434055 /nfs/dbraw/zinc/43/40/55/387434055.db2.gz UIDIUPBHPVPKPW-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CCOc1cc(CC)c(N)c(C(C)=O)c1 ZINC000575717334 387434591 /nfs/dbraw/zinc/43/45/91/387434591.db2.gz NFDGUQJPPAPORG-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1c(N)cc(C(F)(F)F)cc1C(C)=O ZINC000575717402 387434768 /nfs/dbraw/zinc/43/47/68/387434768.db2.gz UEBLDQRYNQLKOD-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN Nc1ccc(O)c(Br)c1Cl ZINC000575719479 387436308 /nfs/dbraw/zinc/43/63/08/387436308.db2.gz DFPMXCAVEZMELH-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CC(=O)c1cc(C)c(N)cc1OC(F)F ZINC000575717578 387436344 /nfs/dbraw/zinc/43/63/44/387436344.db2.gz SUQOGLZCBBGOLJ-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN C(\c1ccccc1)=C1\CCCCn2nnnc21 ZINC000034887053 387437479 /nfs/dbraw/zinc/43/74/79/387437479.db2.gz CDJWHJABGQQCSK-ZRDIBKRKSA-N 0 0 226.283 2.398 10 0 BEAERN CCOC(=O)c1ccc(O)c(C(F)(F)F)c1N ZINC000575724541 387438530 /nfs/dbraw/zinc/43/85/30/387438530.db2.gz IAAGDCCHVRWGDT-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Nc1ccc(Cl)c(N)c1Br ZINC000575719772 387439476 /nfs/dbraw/zinc/43/94/76/387439476.db2.gz JKCMVBQFZSNOJN-UHFFFAOYSA-N 0 0 221.485 2.267 10 0 BEAERN COc1ccc(C(F)(F)F)c(O)c1N ZINC000575727115 387461849 /nfs/dbraw/zinc/46/18/49/387461849.db2.gz AXSTVHVWDWCWPP-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Nc1ccc(O)c(OC(F)F)c1Cl ZINC000575721114 387442369 /nfs/dbraw/zinc/44/23/69/387442369.db2.gz XIUOOBYEELAWHL-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1cc(N)cc(Br)c1N ZINC000575720573 387443224 /nfs/dbraw/zinc/44/32/24/387443224.db2.gz ZJOYLPVLKJHWTE-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN CC(=O)SCC1CN(C(=O)OC(C)(C)C)C1 ZINC000115891703 387444574 /nfs/dbraw/zinc/44/45/74/387444574.db2.gz QINROPBXBXCIBN-UHFFFAOYSA-N 0 0 245.344 2.133 10 0 BEAERN CCOc1cc(N)c(Br)cc1O ZINC000575722024 387445229 /nfs/dbraw/zinc/44/52/29/387445229.db2.gz DEAJWIABXWQQEZ-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)c1cc(N)cc(C)c1OCC ZINC000575723529 387445847 /nfs/dbraw/zinc/44/58/47/387445847.db2.gz BSZCFVDTOGOHTC-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1c(N)c(C)ccc1OCC ZINC000575723316 387446533 /nfs/dbraw/zinc/44/65/33/387446533.db2.gz ABQQGHXWBBDGAD-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN COc1cc(OC(F)F)c(C)cc1N ZINC000575723229 387446689 /nfs/dbraw/zinc/44/66/89/387446689.db2.gz NHMABASCSICQFT-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)c1c(C)cc(N)cc1OCC ZINC000575723957 387447319 /nfs/dbraw/zinc/44/73/19/387447319.db2.gz LSWDYDFHTNIQTQ-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1c(N)cc(CC)cc1OC ZINC000575723575 387447500 /nfs/dbraw/zinc/44/75/00/387447500.db2.gz CIQLDDJKPAKEMS-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(CC)c1N ZINC000575724305 387449167 /nfs/dbraw/zinc/44/91/67/387449167.db2.gz FMOAHBWCVFJATH-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(N)c1CC ZINC000575724290 387449407 /nfs/dbraw/zinc/44/94/07/387449407.db2.gz DRYAAFZLQFIOTP-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN C[C@H]1C[C@H]1c1coc(I)n1 ZINC000306273370 387450569 /nfs/dbraw/zinc/45/05/69/387450569.db2.gz ZFWZOKTWFKGGLJ-CRCLSJGQSA-N 0 0 249.051 2.403 10 0 BEAERN CC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000122016953 387458447 /nfs/dbraw/zinc/45/84/47/387458447.db2.gz ZRWYJOMHBMYKSI-NOZJJQNGSA-N 0 0 247.294 2.395 10 0 BEAERN Fc1ccc(C2(F)CNC2)cc1Cl ZINC000575524070 387460192 /nfs/dbraw/zinc/46/01/92/387460192.db2.gz QTABVWIJMZMCJW-UHFFFAOYSA-N 0 0 203.619 2.247 10 0 BEAERN O=Cc1cc(O)c(F)cc1C(F)(F)F ZINC000575703653 387400095 /nfs/dbraw/zinc/40/00/95/387400095.db2.gz HMAQVOARLZIZRZ-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(O)c1OC ZINC000575699503 387403227 /nfs/dbraw/zinc/40/32/27/387403227.db2.gz AKYYXRGSKMRIRV-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121742631 387403924 /nfs/dbraw/zinc/40/39/24/387403924.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 0 0 208.309 2.132 10 0 BEAERN CCc1c(C(N)=O)ccc(F)c1SC ZINC000575701877 387404716 /nfs/dbraw/zinc/40/47/16/387404716.db2.gz KPRFVKZJAACOBK-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN CCOC(=O)c1c(O)cc(Cl)cc1F ZINC000575701363 387405799 /nfs/dbraw/zinc/40/57/99/387405799.db2.gz WYQDKWPELFHVLR-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCc1ccc(C(N)=O)c(SC)c1OC ZINC000575702660 387407039 /nfs/dbraw/zinc/40/70/39/387407039.db2.gz HVAWHIMVNHLSRF-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CCc1cc(SC)c(F)c(C(N)=O)c1 ZINC000575702587 387407430 /nfs/dbraw/zinc/40/74/30/387407430.db2.gz SGQKZQTZSJYSDP-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN O=Cc1cc(F)c(OC(F)(F)F)c(CO)c1 ZINC000575705416 387408515 /nfs/dbraw/zinc/40/85/15/387408515.db2.gz IUOUHNBHJJNBAJ-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN O=Cc1cc(OC(F)(F)F)cc(F)c1CO ZINC000575705786 387410256 /nfs/dbraw/zinc/41/02/56/387410256.db2.gz NJJNXQSLFZYZKG-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1cc(C(F)(F)F)c(CO)cc1F ZINC000575707452 387410543 /nfs/dbraw/zinc/41/05/43/387410543.db2.gz BKBVZCJZSDSMMM-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN COc1ccc(F)c(CO)c1SC ZINC000575708171 387411897 /nfs/dbraw/zinc/41/18/97/387411897.db2.gz KTHITZBUGVRFAU-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1cc(C=O)cc(SC)c1F ZINC000575708891 387413486 /nfs/dbraw/zinc/41/34/86/387413486.db2.gz YBPZIMRVFTUKAN-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COC(=O)Cc1c(C)ccc(O)c1Cl ZINC000575712030 387415050 /nfs/dbraw/zinc/41/50/50/387415050.db2.gz ALTWVBYLDWQFBV-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN COC(=O)c1c(C)cc(Cl)cc1OC ZINC000575713161 387417468 /nfs/dbraw/zinc/41/74/68/387417468.db2.gz QNCMGQOSLIAKDV-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CC1=CC[C@H](C(C)C)[C@H]2OC(=O)N(C)[C@@H]12 ZINC000584659530 387505941 /nfs/dbraw/zinc/50/59/41/387505941.db2.gz QBMFJROWLFOSTL-OUAUKWLOSA-N 0 0 209.289 2.428 10 0 BEAERN C[C@H]1C[C@H]1Nc1nnc(-c2ccon2)s1 ZINC000287763098 387510141 /nfs/dbraw/zinc/51/01/41/387510141.db2.gz HNAKNNSJJKSXLT-CAHLUQPWSA-N 0 0 222.273 2.013 10 0 BEAERN CCCCN(CC)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000122389881 387516404 /nfs/dbraw/zinc/51/64/04/387516404.db2.gz OUIIRSNHKDXDIW-GHMZBOCLSA-N 0 0 213.321 2.203 10 0 BEAERN CCC(CC)[C@H](O)CNC(=O)[C@H]1CCC[C@H]1C ZINC000300418978 387520720 /nfs/dbraw/zinc/52/07/20/387520720.db2.gz JYQMYIIDADWLAK-KGYLQXTDSA-N 0 0 241.375 2.336 10 0 BEAERN CCCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101526414 387521922 /nfs/dbraw/zinc/52/19/22/387521922.db2.gz WMJGUAJXELJEFO-UHFFFAOYSA-N 0 0 231.255 2.475 10 0 BEAERN CCC(CC)[C@H](O)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000300418979 387525199 /nfs/dbraw/zinc/52/51/99/387525199.db2.gz JYQMYIIDADWLAK-RAIGVLPGSA-N 0 0 241.375 2.336 10 0 BEAERN CC(F)(F)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379216121 387529051 /nfs/dbraw/zinc/52/90/51/387529051.db2.gz HNJXPBFVMHNGBO-AYMMMOKOSA-N 0 0 217.259 2.194 10 0 BEAERN Cc1nc2c(Br)ccc(C)n2c1N ZINC000575526125 387531845 /nfs/dbraw/zinc/53/18/45/387531845.db2.gz QNVRWUNOLYCKGR-UHFFFAOYSA-N 0 0 240.104 2.296 10 0 BEAERN Cc1cnn(CCNc2cccc(Cl)n2)c1 ZINC000192791685 387534584 /nfs/dbraw/zinc/53/45/84/387534584.db2.gz JJWKAWUFMDVMIQ-UHFFFAOYSA-N 0 0 236.706 2.352 10 0 BEAERN CC(C)(CF)Nc1ncc(Br)cn1 ZINC000306594726 387538659 /nfs/dbraw/zinc/53/86/59/387538659.db2.gz SOKJBACDPXXMBT-UHFFFAOYSA-N 0 0 248.099 2.399 10 0 BEAERN CC1(C)CCC[C@H](NC(N)=S)CC1 ZINC000575529488 387540327 /nfs/dbraw/zinc/54/03/27/387540327.db2.gz ZVXCGYKHBFBVEA-QMMMGPOBSA-N 0 0 200.351 2.179 10 0 BEAERN Cc1cc(N)c(O)cc1OC(F)(F)F ZINC000575728422 387465934 /nfs/dbraw/zinc/46/59/34/387465934.db2.gz OYEYYCKYBVRWCG-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Nc1noc([C@H]2CC23CC3)c1Br ZINC000575537655 387580146 /nfs/dbraw/zinc/58/01/46/387580146.db2.gz HOLZJRIMQRYCMH-SCSAIBSYSA-N 0 0 229.077 2.117 10 0 BEAERN COC(=O)c1cc(F)ccc1Cn1ccnc1C ZINC000123519326 387584606 /nfs/dbraw/zinc/58/46/06/387584606.db2.gz BVPVQEQVUOTDQM-UHFFFAOYSA-N 0 0 248.257 2.166 10 0 BEAERN CC[C@@H](NC(=O)COC(C)C)c1nccs1 ZINC000122551586 387548480 /nfs/dbraw/zinc/54/84/80/387548480.db2.gz KIQIALFNYUTNJO-SECBINFHSA-N 0 0 242.344 2.135 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC(C)(C)C ZINC000117562313 387550636 /nfs/dbraw/zinc/55/06/36/387550636.db2.gz QSTCJWJKUGCYCU-SKDRFNHKSA-N 0 0 233.311 2.466 10 0 BEAERN O=C1COC[C@@H]1c1sccc1Cl ZINC000575530367 387551249 /nfs/dbraw/zinc/55/12/49/387551249.db2.gz IJLOAYACXBSAFW-YFKPBYRVSA-N 0 0 202.662 2.084 10 0 BEAERN CC(C)=CCN[C@@H](C)c1nnc2n1CCCC2 ZINC000120142383 387563267 /nfs/dbraw/zinc/56/32/67/387563267.db2.gz GLDGBAWNKXJKOC-NSHDSACASA-N 0 0 234.347 2.231 10 0 BEAERN CC(=O)c1cccc(OCc2ccn(C)n2)c1 ZINC000211573107 387565706 /nfs/dbraw/zinc/56/57/06/387565706.db2.gz VRBGNPVPJFLXEQ-UHFFFAOYSA-N 0 0 230.267 2.202 10 0 BEAERN Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000120684988 387572531 /nfs/dbraw/zinc/57/25/31/387572531.db2.gz JYFPNDYUGPUDDV-WCQYABFASA-N 0 0 231.343 2.427 10 0 BEAERN O=C(C(F)F)N1C[C@@H]2CCCCC[C@H]21 ZINC000375733794 387576122 /nfs/dbraw/zinc/57/61/22/387576122.db2.gz CMLUDJMRRMAYDU-JGVFFNPUSA-N 0 0 203.232 2.043 10 0 BEAERN O=C(CC1CCCCC1)N1CC[C@@H](CCO)C1 ZINC000123067493 387643068 /nfs/dbraw/zinc/64/30/68/387643068.db2.gz SKJJCVJRBRMNCK-ZDUSSCGKSA-N 0 0 239.359 2.188 10 0 BEAERN O=C(c1ccoc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125254365 387649746 /nfs/dbraw/zinc/64/97/46/387649746.db2.gz MVWAYLVVCXDLDJ-UHFFFAOYSA-N 0 0 245.282 2.023 10 0 BEAERN O=C(CC1=CCCCC1)N1CC[C@@H](CCO)C1 ZINC000123115892 387655263 /nfs/dbraw/zinc/65/52/63/387655263.db2.gz CFPHIHWNFDNJCI-ZDUSSCGKSA-N 0 0 237.343 2.108 10 0 BEAERN Cn1nccc1NC(=O)NCCC1=CCCC1 ZINC000125512717 387659464 /nfs/dbraw/zinc/65/94/64/387659464.db2.gz RBOSVKULKBFIIS-UHFFFAOYSA-N 0 0 234.303 2.042 10 0 BEAERN CSCCCCNC(=O)c1occc1C ZINC000125698811 387664318 /nfs/dbraw/zinc/66/43/18/387664318.db2.gz AGVOGPUSUBNTLV-UHFFFAOYSA-N 0 0 227.329 2.461 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123239530 387670984 /nfs/dbraw/zinc/67/09/84/387670984.db2.gz LNPIWXIZXHMBDO-GFCCVEGCSA-N 0 0 248.326 2.107 10 0 BEAERN C[C@@]1(c2nnc(C=O)s2)CCCS1 ZINC000575572599 387749657 /nfs/dbraw/zinc/74/96/57/387749657.db2.gz RSXGNBNACTXWBX-QMMMGPOBSA-N 0 0 214.315 2.093 10 0 BEAERN Nc1n[nH]c(-c2ccc(Cl)o2)c1F ZINC000575574194 387752719 /nfs/dbraw/zinc/75/27/19/387752719.db2.gz LHKCWRDLMZVRPW-UHFFFAOYSA-N 0 0 201.588 2.044 10 0 BEAERN Cc1noc(Cl)c1CC(=O)N[C@H](C)C(C)C ZINC000128759561 387753603 /nfs/dbraw/zinc/75/36/03/387753603.db2.gz AAQIAQQESNFNST-SSDOTTSWSA-N 0 0 244.722 2.340 10 0 BEAERN Cc1cccc(Br)c1NCCO ZINC000575558900 387699528 /nfs/dbraw/zinc/69/95/28/387699528.db2.gz DTRLRQNHCVNCTA-UHFFFAOYSA-N 0 0 230.105 2.162 10 0 BEAERN CCN(C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000127051968 387703296 /nfs/dbraw/zinc/70/32/96/387703296.db2.gz CATVQUHPHPKBBD-UHFFFAOYSA-N 0 0 224.279 2.329 10 0 BEAERN Cc1cn(C/C(Cl)=C/Cl)c(=O)[nH]1 ZINC000575562378 387704570 /nfs/dbraw/zinc/70/45/70/387704570.db2.gz LCURGZWVEHFJKA-KXFIGUGUSA-N 0 0 207.060 2.216 10 0 BEAERN Cc1cn(C/C(Cl)=C\Cl)c(=O)[nH]1 ZINC000575562379 387704659 /nfs/dbraw/zinc/70/46/59/387704659.db2.gz LCURGZWVEHFJKA-QHHAFSJGSA-N 0 0 207.060 2.216 10 0 BEAERN CC(C)CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127642570 387723212 /nfs/dbraw/zinc/72/32/12/387723212.db2.gz ICLISBHHNGZIEO-GXTWGEPZSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cc([C@@](C)(N)C(F)(F)F)sn1 ZINC000575569152 387729835 /nfs/dbraw/zinc/72/98/35/387729835.db2.gz GXUJQPPWQQNSHA-ZCFIWIBFSA-N 0 0 210.224 2.188 10 0 BEAERN O=c1[nH]cnc2cc(-c3ccccc3)[nH]c21 ZINC000575624930 387821717 /nfs/dbraw/zinc/82/17/17/387821717.db2.gz UIXFYDKLNUQHQM-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN Cc1cc(N)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575638162 387832027 /nfs/dbraw/zinc/83/20/27/387832027.db2.gz PHFDUZOUIHAJCS-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1cc(C#N)c(OCC)c(C=O)c1 ZINC000575638147 387832392 /nfs/dbraw/zinc/83/23/92/387832392.db2.gz LRXXHZFTCGESKR-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1c(CO)ccc(OC(F)F)c1C#N ZINC000575638192 387832865 /nfs/dbraw/zinc/83/28/65/387832865.db2.gz FJIIAYLEUBAUCD-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)cc(C)c1N ZINC000575638891 387833581 /nfs/dbraw/zinc/83/35/81/387833581.db2.gz FPAJBMRMAYUGIP-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOc1cc(OC(F)F)cc(C#N)c1C=O ZINC000575639045 387833688 /nfs/dbraw/zinc/83/36/88/387833688.db2.gz NBFABTWQJFVWJO-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1cc(N)c(C)c(C(F)(F)F)c1 ZINC000575638739 387833987 /nfs/dbraw/zinc/83/39/87/387833987.db2.gz CEJKCIDZKDRZAK-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)cc(N)c1C ZINC000575638911 387834066 /nfs/dbraw/zinc/83/40/66/387834066.db2.gz FTNGKCUZPPMSFF-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOc1cc(C#N)cc(OC(F)F)c1CO ZINC000575638298 387834463 /nfs/dbraw/zinc/83/44/63/387834463.db2.gz GBNDSTYUHHWYKF-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN CCOc1ccc(OC(F)F)c(C#N)c1CO ZINC000575639468 387835765 /nfs/dbraw/zinc/83/57/65/387835765.db2.gz RGDLFZLYZAUQEY-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COc1cc(C#N)c(C)c(OC(F)F)c1 ZINC000575639304 387836440 /nfs/dbraw/zinc/83/64/40/387836440.db2.gz AGPKPZNMDZVYJZ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCOc1c(OC(F)F)ccc(CO)c1C#N ZINC000575639447 387836553 /nfs/dbraw/zinc/83/65/53/387836553.db2.gz RBJKFVJWTYYMQJ-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN Cc1cc2c(c(C)c1)NC(=O)C21O[C@H](C)[C@@H](C)O1 ZINC000026463743 177880538 /nfs/dbraw/zinc/88/05/38/177880538.db2.gz FOQUHWYFAKMKCW-NXEZZACHSA-N 0 0 247.294 2.232 10 0 BEAERN CCOc1ccc(C#N)c(OC(F)F)c1CO ZINC000575638533 387837157 /nfs/dbraw/zinc/83/71/57/387837157.db2.gz JFDKQGVYGWXWEZ-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN N#CCc1cc(C=O)c(C#N)c(OC(F)F)c1 ZINC000575639618 387837191 /nfs/dbraw/zinc/83/71/91/387837191.db2.gz JBIDTRNLMMPMDW-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1cc(OC(F)F)c(CO)cc1C#N ZINC000575639725 387838375 /nfs/dbraw/zinc/83/83/75/387838375.db2.gz SYSGZZOFLLNVLL-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1ccc(N)c(OC(F)(F)F)c1C ZINC000575640612 387839624 /nfs/dbraw/zinc/83/96/24/387839624.db2.gz NOFNDZDGIWWONG-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1ccc(N)c(OC)c1C(F)(F)F ZINC000575640853 387839816 /nfs/dbraw/zinc/83/98/16/387839816.db2.gz PZJMNNIFNGABGY-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCc1cc(C#N)cc(CO)c1OC(F)F ZINC000575641115 387840614 /nfs/dbraw/zinc/84/06/14/387840614.db2.gz VDPIWMNDARJYSP-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COC(=O)Cc1ccc(C)c(N)c1C(F)(F)F ZINC000575639847 387841456 /nfs/dbraw/zinc/84/14/56/387841456.db2.gz LAYPNVIVHKPKGS-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCc1cc(C#N)c(C(N)=O)c(C(F)F)c1 ZINC000575639825 387841506 /nfs/dbraw/zinc/84/15/06/387841506.db2.gz BSIDNGBATRKYLQ-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCOc1cc(C#N)c(CO)cc1C(F)F ZINC000575642274 387845430 /nfs/dbraw/zinc/84/54/30/387845430.db2.gz YBONSLOTXGLNJL-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN Cc1cc(C=O)cc(OC(F)F)c1C#N ZINC000575642103 387846277 /nfs/dbraw/zinc/84/62/77/387846277.db2.gz XDOBESZMWVNRQY-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN COc1c(F)cc(C#N)cc1OC(F)F ZINC000575641543 387846310 /nfs/dbraw/zinc/84/63/10/387846310.db2.gz VZUVCWWREFHYOA-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1cc(C=O)cc(C#N)c1CC ZINC000575642356 387847375 /nfs/dbraw/zinc/84/73/75/387847375.db2.gz ASYIPVVEAKSWEI-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCN(CC)C(=O)C[C@@H](C)c1cccnc1 ZINC000062633949 387853982 /nfs/dbraw/zinc/85/39/82/387853982.db2.gz NPKLOKSORDWEAP-LLVKDONJSA-N 0 0 220.316 2.444 10 0 BEAERN CCOc1cc(CC)c(CO)cc1C#N ZINC000575642716 387856470 /nfs/dbraw/zinc/85/64/70/387856470.db2.gz HLNBMNJQNKQAPL-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CSCCN(C)c1cc(Cl)nc(C)n1 ZINC000157634810 387861348 /nfs/dbraw/zinc/86/13/48/387861348.db2.gz DCGWDXPZCFJZHC-UHFFFAOYSA-N 0 0 231.752 2.238 10 0 BEAERN CCOc1cc(F)c(C(C)=O)cc1C#N ZINC000575642829 387865101 /nfs/dbraw/zinc/86/51/01/387865101.db2.gz JLCPBRRPWPVRJR-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN Cc1nc([C@H](N)c2c(C)cc(C)cc2C)no1 ZINC000036762284 177872024 /nfs/dbraw/zinc/87/20/24/177872024.db2.gz SJVVXYVOVYQMKZ-GFCCVEGCSA-N 0 0 231.299 2.351 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(C=O)cc1O ZINC000575624049 387815536 /nfs/dbraw/zinc/81/55/36/387815536.db2.gz LKQOPZLEASJOPH-UHFFFAOYSA-N 0 0 222.240 2.160 10 0 BEAERN CCOC(=O)c1cc2c(nc(C)nc2Cl)[nH]1 ZINC000575624048 387816233 /nfs/dbraw/zinc/81/62/33/387816233.db2.gz LGFDFGGPUUSCJE-UHFFFAOYSA-N 0 0 239.662 2.096 10 0 BEAERN CCOc1cc(C(C)=O)c(C#N)cc1F ZINC000575644222 387872811 /nfs/dbraw/zinc/87/28/11/387872811.db2.gz VTTVTPLMCZTXMS-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(C)c(C#N)cc1C(C)=O ZINC000575650562 387889832 /nfs/dbraw/zinc/88/98/32/387889832.db2.gz VYQSJPUSCLSSEY-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1cc(F)c(OCC)c(C#N)c1 ZINC000575650031 387890017 /nfs/dbraw/zinc/89/00/17/387890017.db2.gz KPEBYPOPAUIYTL-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN c1ccc(NCCC2=CCOCC2)nc1 ZINC000158081961 387891775 /nfs/dbraw/zinc/89/17/75/387891775.db2.gz YHCKFDQTMIWTNE-UHFFFAOYSA-N 0 0 204.273 2.230 10 0 BEAERN CCc1cc(C#N)cc(OC)c1[N+](=O)[O-] ZINC000575648037 387891880 /nfs/dbraw/zinc/89/18/80/387891880.db2.gz PHVGSZIAPGHNLA-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc(CO)c1F ZINC000575648112 387892812 /nfs/dbraw/zinc/89/28/12/387892812.db2.gz PVZZQMOCEKKVPR-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN COc1cc(O)c(OC)c(OC(F)F)c1 ZINC000575653049 387894192 /nfs/dbraw/zinc/89/41/92/387894192.db2.gz SAFLUZWEEYMCRY-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN CCc1cc(O)c(OC(F)F)cc1C=O ZINC000575653652 387895745 /nfs/dbraw/zinc/89/57/45/387895745.db2.gz LOYQLIBFJXZNOZ-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1ccc(OC(F)F)c(CO)c1F ZINC000575653488 387896374 /nfs/dbraw/zinc/89/63/74/387896374.db2.gz JMTZIGVBEXOHAZ-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1ccc(CO)c(O)c1OC(F)F ZINC000575653686 387896456 /nfs/dbraw/zinc/89/64/56/387896456.db2.gz MCJITJGXARVNSJ-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN COc1cc(C#N)c(C(F)(F)F)c(C=O)c1 ZINC000575645664 387875090 /nfs/dbraw/zinc/87/50/90/387875090.db2.gz DEHDGLJRTUVZHS-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1cc(C=O)cc(F)c1OC(F)(F)F ZINC000575645228 387878519 /nfs/dbraw/zinc/87/85/19/387878519.db2.gz DJVIDBXDCCSNBG-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN N#Cc1c(F)cc(CO)cc1OC(F)(F)F ZINC000575647920 387880588 /nfs/dbraw/zinc/88/05/88/387880588.db2.gz OUINTJKPEOWPHU-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCOc1c(C#N)ccc(C(C)=O)c1[N+](=O)[O-] ZINC000575647293 387882096 /nfs/dbraw/zinc/88/20/96/387882096.db2.gz GMSBTZBMRKIGCE-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCc1ccc(C(C)=O)c([N+](=O)[O-])c1C#N ZINC000575646552 387882607 /nfs/dbraw/zinc/88/26/07/387882607.db2.gz IPDYDTOWXVXOPU-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN Cc1cc(C)c(Cn2cncn2)c(C)c1 ZINC000108658276 177864908 /nfs/dbraw/zinc/86/49/08/177864908.db2.gz VMZWSNXYLWSUAP-UHFFFAOYSA-N 0 0 201.273 2.252 10 0 BEAERN N#Cc1cc(F)c(OC(F)(F)F)cc1C=O ZINC000575648926 387885359 /nfs/dbraw/zinc/88/53/59/387885359.db2.gz RMOUWUKNSGCVOB-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCOc1c(C#N)ccc([N+](=O)[O-])c1OCC ZINC000575648643 387885795 /nfs/dbraw/zinc/88/57/95/387885795.db2.gz HNJKYNPZKIDRLA-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc(C=O)c1F ZINC000575648993 387887096 /nfs/dbraw/zinc/88/70/96/387887096.db2.gz SHFYBTPOSNWEAI-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCOc1cc(C#N)cc(OC)c1C(C)=O ZINC000575650512 387888180 /nfs/dbraw/zinc/88/81/80/387888180.db2.gz VNZRIPAZFCYPGW-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN COc1cc([N+](=O)[O-])c(C#N)c(C(F)(F)F)c1 ZINC000575651289 387888636 /nfs/dbraw/zinc/88/86/36/387888636.db2.gz XXLYBPGQPOINOZ-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN Cc1csc(C2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000194951393 387899688 /nfs/dbraw/zinc/89/96/88/387899688.db2.gz XTUMKSIEPACPPP-SNVBAGLBSA-N 0 0 240.372 2.012 10 0 BEAERN OCc1cc(OC(F)F)c(C(F)F)cc1O ZINC000575651913 387900393 /nfs/dbraw/zinc/90/03/93/387900393.db2.gz GUAGOUOLPWCTKN-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Cc1cc(C)c(C(N)=O)c(OC(F)F)c1 ZINC000575652421 387900411 /nfs/dbraw/zinc/90/04/11/387900411.db2.gz FWEXSBZJUDVIIO-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN Cc1cc(C(N)=O)cc(OC(F)F)c1C ZINC000575652590 387901955 /nfs/dbraw/zinc/90/19/55/387901955.db2.gz IJIUYLDAZFXXDA-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN O=Cc1csc(-c2cccc(O)c2)n1 ZINC000037974103 387908193 /nfs/dbraw/zinc/90/81/93/387908193.db2.gz CKDKGMJAMGRTGT-UHFFFAOYSA-N 0 0 205.238 2.328 10 0 BEAERN Cc1cc(C(=O)c2ccccn2)c(N)s1 ZINC000095629151 177827371 /nfs/dbraw/zinc/82/73/71/177827371.db2.gz FDASSRRGXIKYFR-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)ccc1F ZINC000156214761 177815023 /nfs/dbraw/zinc/81/50/23/177815023.db2.gz FYAPNJOYAUBXDR-WXHSDQCUSA-N 0 0 249.285 2.184 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](C)C2)O1 ZINC000246039177 388004003 /nfs/dbraw/zinc/00/40/03/388004003.db2.gz OUIOIGKSWRGNSM-WISYIIOYSA-N 0 0 225.332 2.249 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246053100 388004212 /nfs/dbraw/zinc/00/42/12/388004212.db2.gz UUMVNVKZVSMJCE-JMJZKYOTSA-N 0 0 241.306 2.180 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C)O2)C1 ZINC000246066179 388005383 /nfs/dbraw/zinc/00/53/83/388005383.db2.gz RRDOWWPPVMMIAD-UTUOFQBUSA-N 0 0 225.332 2.203 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000246066175 388005495 /nfs/dbraw/zinc/00/54/95/388005495.db2.gz RRDOWWPPVMMIAD-IJLUTSLNSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H](C(=O)N[C@H]1C[C@H]1C)n1cnc2ccccc21 ZINC000246133779 388012492 /nfs/dbraw/zinc/01/24/92/388012492.db2.gz PXVGKWMDQXYIOR-SCVCMEIPSA-N 0 0 243.310 2.122 10 0 BEAERN C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000246199858 388020929 /nfs/dbraw/zinc/02/09/29/388020929.db2.gz LSPHEXQXWJEJRA-FOGDFJRCSA-N 0 0 233.315 2.192 10 0 BEAERN CC[C@H](NC(=O)Cc1ccccc1N)C(C)C ZINC000042584357 388100479 /nfs/dbraw/zinc/10/04/79/388100479.db2.gz LZZIAEPSTPZGLP-ZDUSSCGKSA-N 0 0 234.343 2.362 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000170808785 388106822 /nfs/dbraw/zinc/10/68/22/388106822.db2.gz FQZJVLDLUNIJJD-YUSALJHKSA-N 0 0 246.310 2.218 10 0 BEAERN O=Cc1cc(-c2cncc(O)c2)cs1 ZINC000065339041 388258162 /nfs/dbraw/zinc/25/81/62/388258162.db2.gz XJTQGWFAEARQOA-UHFFFAOYSA-N 0 0 205.238 2.328 10 0 BEAERN O=Cc1ccc(-c2ccc(O)cn2)s1 ZINC000065355723 388258480 /nfs/dbraw/zinc/25/84/80/388258480.db2.gz WBRSVGRQUROHFG-UHFFFAOYSA-N 0 0 205.238 2.328 10 0 BEAERN COC[C@@H](C)Nc1cc2c[nH]nc2cc1C ZINC000276898062 388351159 /nfs/dbraw/zinc/35/11/59/388351159.db2.gz MXLOMJCIIRNPNP-SECBINFHSA-N 0 0 219.288 2.318 10 0 BEAERN C[C@@H](CO)Sc1nc(Cl)ncc1Cl ZINC000162491418 388353515 /nfs/dbraw/zinc/35/35/15/388353515.db2.gz IWILVFCEGBAKHV-BYPYZUCNSA-N 0 0 239.127 2.256 10 0 BEAERN CC1(Nc2nc(F)ncc2Br)CC1 ZINC000575519548 388356923 /nfs/dbraw/zinc/35/69/23/388356923.db2.gz MJMJQVVQURDRQO-UHFFFAOYSA-N 0 0 246.083 2.343 10 0 BEAERN C[C@@H]1CCC[C@H](N(C)C(N)=S)CC1 ZINC000575522735 388358686 /nfs/dbraw/zinc/35/86/86/388358686.db2.gz CCUYPQNOWCSZLW-BDAKNGLRSA-N 0 0 200.351 2.131 10 0 BEAERN C[C@H]1CCC[C@H](N(C)C(N)=S)CC1 ZINC000575522738 388359042 /nfs/dbraw/zinc/35/90/42/388359042.db2.gz CCUYPQNOWCSZLW-IUCAKERBSA-N 0 0 200.351 2.131 10 0 BEAERN CC(C)(C)OC(=O)Nc1cnc(Cl)cn1 ZINC000217567525 388376432 /nfs/dbraw/zinc/37/64/32/388376432.db2.gz ISUZQLVFDYHNQZ-UHFFFAOYSA-N 0 0 229.667 2.477 10 0 BEAERN Cc1cc(C(=O)N2CCCO2)c(F)cc1F ZINC000128708380 177752799 /nfs/dbraw/zinc/75/27/99/177752799.db2.gz LAQBHZLSRGRURT-UHFFFAOYSA-N 0 0 227.210 2.051 10 0 BEAERN C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000294972916 388406695 /nfs/dbraw/zinc/40/66/95/388406695.db2.gz JFRHFBRCQDLBEI-TVQRCGJNSA-N 0 0 241.281 2.310 10 0 BEAERN CC[C@H](C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175754034 388440386 /nfs/dbraw/zinc/44/03/86/388440386.db2.gz ATPVPDWDDPDSPC-UWVGGRQHSA-N 0 0 243.347 2.221 10 0 BEAERN CCCC(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC000074907715 388462163 /nfs/dbraw/zinc/46/21/63/388462163.db2.gz JLKGZGKYOGDZHI-CQSZACIVSA-N 0 0 247.338 2.257 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000648851647 388469472 /nfs/dbraw/zinc/46/94/72/388469472.db2.gz HZAWGNUBVUEQCK-UPJWGTAASA-N 0 0 241.375 2.478 10 0 BEAERN Cc1ccc(O[C@@H](C)C(N)=S)cc1C ZINC000041218974 388433837 /nfs/dbraw/zinc/43/38/37/388433837.db2.gz VUOYNKNQRZCVDK-VIFPVBQESA-N 0 0 209.314 2.357 10 0 BEAERN Fc1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000378675283 388482118 /nfs/dbraw/zinc/48/21/18/388482118.db2.gz OFOYCQOEGVZFGN-FXBDTBDDSA-N 0 0 207.252 2.216 10 0 BEAERN Nc1ncnc(N[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC000378671754 388482810 /nfs/dbraw/zinc/48/28/10/388482810.db2.gz KQVLKQOJDRTBTP-XLPZGREQSA-N 0 0 238.722 2.313 10 0 BEAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000135242881 388486986 /nfs/dbraw/zinc/48/69/86/388486986.db2.gz XDSMWFVRBHWZIZ-OUAUKWLOSA-N 0 0 247.342 2.229 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cccs1 ZINC000177932989 388494093 /nfs/dbraw/zinc/49/40/93/388494093.db2.gz OUCVSGFAVMBUPY-UTLUCORTSA-N 0 0 239.340 2.493 10 0 BEAERN COc1ccnc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000378760188 388501224 /nfs/dbraw/zinc/50/12/24/388501224.db2.gz ARPKDQHMBXLIGC-IVZWLZJFSA-N 0 0 219.288 2.086 10 0 BEAERN C[C@@H](O)CCNC(=O)[C@H](C)CC1CCCC1 ZINC000136053740 388519463 /nfs/dbraw/zinc/51/94/63/388519463.db2.gz BTSALZGADOZJNE-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN O=C(/C=C1\CCc2ccc(F)cc21)N1CCC1 ZINC000003823427 388588329 /nfs/dbraw/zinc/58/83/29/388588329.db2.gz DORLOZVPUCOGGQ-DHZHZOJOSA-N 0 0 231.270 2.388 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)[C@H]1C ZINC000245654981 388596460 /nfs/dbraw/zinc/59/64/60/388596460.db2.gz FSOXZONXYSBACD-KXNHARMFSA-N 0 0 225.332 2.106 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000188919571 388613978 /nfs/dbraw/zinc/61/39/78/388613978.db2.gz AJQAFIVAGNPVKP-GRYCIOLGSA-N 0 0 227.348 2.354 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000188919530 388614022 /nfs/dbraw/zinc/61/40/22/388614022.db2.gz AJQAFIVAGNPVKP-WOPDTQHZSA-N 0 0 227.348 2.354 10 0 BEAERN CC[C@H](NC(=O)[C@H]1CCC[C@@H]1C)C(C)(C)O ZINC000358575227 388554823 /nfs/dbraw/zinc/55/48/23/388554823.db2.gz DSQNSFZTYILGHM-DCAQKATOSA-N 0 0 227.348 2.088 10 0 BEAERN CCO[C@H](CCNC(=O)N[C@@H]1C[C@@H]1C)C(C)C ZINC000080726719 388561345 /nfs/dbraw/zinc/56/13/45/388561345.db2.gz VSDYLUFNHVJYML-QJPTWQEYSA-N 0 0 242.363 2.145 10 0 BEAERN Cc1cc(C)nc(N[C@@H]2CCC[C@]2(C)CO)n1 ZINC000301442361 388586073 /nfs/dbraw/zinc/58/60/73/388586073.db2.gz JACDVDDTONCGTL-DGCLKSJQSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(Br)cc(CO)c1F ZINC000075844578 177722590 /nfs/dbraw/zinc/72/25/90/177722590.db2.gz UUZWWIGAJPWVLN-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN CCOC(=O)CN[C@@H]1CCCC[C@H]1C(C)C ZINC000125688420 388674178 /nfs/dbraw/zinc/67/41/78/388674178.db2.gz BLJWAHZCZIMPOV-NWDGAFQWSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1cc(=O)oc(C)c1C(=O)NCCC(C)C ZINC000000217497 177721457 /nfs/dbraw/zinc/72/14/57/177721457.db2.gz ZBQNOBFUTFSDST-UHFFFAOYSA-N 0 0 237.299 2.033 10 0 BEAERN COc1cc(NCCC2=CCCC2)ncn1 ZINC000128232131 388741463 /nfs/dbraw/zinc/74/14/63/388741463.db2.gz KWFHOCQDNGYAMN-UHFFFAOYSA-N 0 0 219.288 2.398 10 0 BEAERN COc1ncccc1CN1CCS[C@@H](C)C1 ZINC000193334024 388700554 /nfs/dbraw/zinc/70/05/54/388700554.db2.gz BEQPZCGOGKTVSL-JTQLQIEISA-N 0 0 238.356 2.028 10 0 BEAERN COc1ccc([C@]2(O)CSC[C@@H]2C)cc1 ZINC000389661898 388702847 /nfs/dbraw/zinc/70/28/47/388702847.db2.gz ITICSWNLDODAIJ-CABZTGNLSA-N 0 0 224.325 2.266 10 0 BEAERN CSCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000127049631 388711914 /nfs/dbraw/zinc/71/19/14/388711914.db2.gz JBANYDYZZWYELT-ZETCQYMHSA-N 0 0 241.278 2.150 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1c(O)cccc1F ZINC000127421265 388723271 /nfs/dbraw/zinc/72/32/71/388723271.db2.gz NKFIJTQENQZZQH-PSASIEDQSA-N 0 0 237.274 2.450 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CCCS1 ZINC000127583709 388726701 /nfs/dbraw/zinc/72/67/01/388726701.db2.gz UCFIQWXFBOJBAN-QMMMGPOBSA-N 0 0 203.307 2.017 10 0 BEAERN CC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000127787193 388731574 /nfs/dbraw/zinc/73/15/74/388731574.db2.gz CARSREGKXHANTA-ZANVPECISA-N 0 0 247.294 2.395 10 0 BEAERN CSCCCCNC(=O)OC(C)C ZINC000127819633 388732250 /nfs/dbraw/zinc/73/22/50/388732250.db2.gz DAUFVIQXQKPRTK-UHFFFAOYSA-N 0 0 205.323 2.264 10 0 BEAERN CC[C@H]1CN(C(=O)OC(C)C)CCS1 ZINC000127866319 388733183 /nfs/dbraw/zinc/73/31/83/388733183.db2.gz BAFXQSQMKGDQNV-VIFPVBQESA-N 0 0 217.334 2.359 10 0 BEAERN CC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000128837437 388798754 /nfs/dbraw/zinc/79/87/54/388798754.db2.gz JKYHNRPBMNOUFV-GDLCADMTSA-N 0 0 245.322 2.274 10 0 BEAERN O=C1COC[C@@H]1Cc1csc(Cl)c1 ZINC000575454457 388763997 /nfs/dbraw/zinc/76/39/97/388763997.db2.gz QGRYEWLRCJCNTK-ZETCQYMHSA-N 0 0 216.689 2.160 10 0 BEAERN Cc1nc(-c2ccsc2)nc(=S)[nH]1 ZINC000575454602 388764993 /nfs/dbraw/zinc/76/49/93/388764993.db2.gz YUOOOHONKSKYGB-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Clc1nsnc1N[C@@H]1C=CCC1 ZINC000575469234 388843426 /nfs/dbraw/zinc/84/34/26/388843426.db2.gz XZPDANXGBZVBAC-RXMQYKEDSA-N 0 0 201.682 2.322 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccccc1 ZINC000230171513 388819855 /nfs/dbraw/zinc/81/98/55/388819855.db2.gz ABDUPLXMDAGHFC-YUTCNCBUSA-N 0 0 247.338 2.272 10 0 BEAERN CC[C@](C)(CCO)Nc1cc(Cl)nc(C)n1 ZINC000230216790 388821024 /nfs/dbraw/zinc/82/10/24/388821024.db2.gz VQVASIOVPPAUAV-LLVKDONJSA-N 0 0 243.738 2.401 10 0 BEAERN Nc1c([C@H]2CCCO2)ncn1Cc1ccccc1 ZINC000575466671 388838456 /nfs/dbraw/zinc/83/84/56/388838456.db2.gz BGCVIHXYHPHFKF-GFCCVEGCSA-N 0 0 243.310 2.365 10 0 BEAERN ClC1(c2n[nH]cc2Br)CC1 ZINC000575469031 388842177 /nfs/dbraw/zinc/84/21/77/388842177.db2.gz ROWNHEDTHWGYFF-UHFFFAOYSA-N 0 0 221.485 2.400 10 0 BEAERN CC[C@@H](O)c1cc(N)cc(Br)c1 ZINC000575478711 388860559 /nfs/dbraw/zinc/86/05/59/388860559.db2.gz JYQQPZRUBUTUSW-SECBINFHSA-N 0 0 230.105 2.475 10 0 BEAERN CCOC(=O)c1ccnc(C)c1OC(F)(F)F ZINC000575375167 388883479 /nfs/dbraw/zinc/88/34/79/388883479.db2.gz SNHXTXSVQGKDLM-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCOC(=O)c1cc(C)cnc1OC(F)(F)F ZINC000575375150 388884163 /nfs/dbraw/zinc/88/41/63/388884163.db2.gz RBYQVHUCNOLYME-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN O=C1CO[C@@H](c2occc2Br)C1 ZINC000575500704 388990497 /nfs/dbraw/zinc/99/04/97/388990497.db2.gz VCUWDECGAOHMIJ-SSDOTTSWSA-N 0 0 231.045 2.073 10 0 BEAERN Brc1cc(N[C@@H]2C=CCC2)ncn1 ZINC000575503425 388990639 /nfs/dbraw/zinc/99/06/39/388990639.db2.gz PFMHGNIVMYXSPL-SSDOTTSWSA-N 0 0 240.104 2.370 10 0 BEAERN Cc1c2c(c(C)n1C)[C@@](C)(C(N)=O)CC2(C)C ZINC000039215390 177636028 /nfs/dbraw/zinc/63/60/28/177636028.db2.gz DZYYAUXDZPXJSG-AWEZNQCLSA-N 0 0 234.343 2.066 10 0 BEAERN O=C(CC(F)(F)F)N1CCOc2ccccc21 ZINC000123585401 132296724 /nfs/dbraw/zinc/29/67/24/132296724.db2.gz BEKRYNWQRJCVCF-UHFFFAOYSA-N 0 0 245.200 2.364 10 0 BEAERN Cc1c(C=O)nccc1OCC(F)(F)F ZINC000095751504 177624544 /nfs/dbraw/zinc/62/45/44/177624544.db2.gz MDECNDXLOCUJBI-UHFFFAOYSA-N 0 0 219.162 2.144 10 0 BEAERN Cc1nnc([C@@H](C)Nc2ncc(C)c(C)n2)s1 ZINC000273435101 389041081 /nfs/dbraw/zinc/04/10/81/389041081.db2.gz ADWACHUZJPAORP-MRVPVSSYSA-N 0 0 249.343 2.426 10 0 BEAERN Cc1nc(C(C)C)cc(N2CCC(=O)CC2)n1 ZINC000045951216 132299341 /nfs/dbraw/zinc/29/93/41/132299341.db2.gz KCAFGQDSKCILTF-UHFFFAOYSA-N 0 0 233.315 2.078 10 0 BEAERN Cc1c(N)cccc1N1CCCCC1=O ZINC000019414585 132324689 /nfs/dbraw/zinc/32/46/89/132324689.db2.gz SHBNMAKQRDRAOD-UHFFFAOYSA-N 0 0 204.273 2.094 10 0 BEAERN Cn1nc(-c2ccc(Cl)cc2)sc1=O ZINC000141334833 224522942 /nfs/dbraw/zinc/52/29/42/224522942.db2.gz NLXYYKZCKBFMDY-UHFFFAOYSA-N 0 0 226.688 2.162 10 0 BEAERN C[C@H]1CN(C)c2cc(N)cc(Cl)c2O1 ZINC000062525818 132239981 /nfs/dbraw/zinc/23/99/81/132239981.db2.gz AKRSKTIBFHDALB-LURJTMIESA-N 0 0 212.680 2.139 10 0 BEAERN Cc1cncc(N2CCS[C@@H](C)[C@H]2C)n1 ZINC000302226790 132261769 /nfs/dbraw/zinc/26/17/69/132261769.db2.gz PUFOATZIBXVOCQ-ZJUUUORDSA-N 0 0 223.345 2.115 10 0 BEAERN CC1CCN(c2n[nH]c(=O)c3ccccc32)CC1 ZINC000035463055 132295080 /nfs/dbraw/zinc/29/50/80/132295080.db2.gz VHMIFPXBAIFJNJ-UHFFFAOYSA-N 0 0 243.310 2.159 10 0 BEAERN CNC(=O)c1ccccc1N1CCCCC1 ZINC000039242271 132295580 /nfs/dbraw/zinc/29/55/80/132295580.db2.gz RCGSFGRLZNZUFO-UHFFFAOYSA-N 0 0 218.300 2.037 10 0 BEAERN CC(C)CCNc1ccc(N2CCOCC2)nc1 ZINC000037076042 132295682 /nfs/dbraw/zinc/29/56/82/132295682.db2.gz IZTHISUGMHAJDV-UHFFFAOYSA-N 0 0 249.358 2.376 10 0 BEAERN CCc1nc(CC)c(C)c(N2CCC(=O)CC2)n1 ZINC000045951257 132299322 /nfs/dbraw/zinc/29/93/22/132299322.db2.gz ZLJHSPSQCWUHGX-UHFFFAOYSA-N 0 0 247.342 2.079 10 0 BEAERN CC[C@H]1Sc2ccc(N)cc2N(C)C1=O ZINC000057352821 132301668 /nfs/dbraw/zinc/30/16/68/132301668.db2.gz GXIGUPKRAOJCQL-SECBINFHSA-N 0 0 222.313 2.116 10 0 BEAERN Nc1nc2ccccc2nc1N1CCCCC1 ZINC000012360393 132321041 /nfs/dbraw/zinc/32/10/41/132321041.db2.gz ZYEJNPKNXNFKTF-UHFFFAOYSA-N 0 0 228.299 2.202 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ccc(N)cn2)C1 ZINC000019262374 132324285 /nfs/dbraw/zinc/32/42/85/132324285.db2.gz VEZVCFYVKAGGQT-AOOOYVTPSA-N 0 0 205.305 2.146 10 0 BEAERN NC(=S)CCN1CCCc2ccccc21 ZINC000019423252 132324973 /nfs/dbraw/zinc/32/49/73/132324973.db2.gz ISESBYKYHXIBHE-UHFFFAOYSA-N 0 0 220.341 2.115 10 0 BEAERN CC1CCN(c2ncnc(Cl)c2C=O)CC1 ZINC000019945811 132328767 /nfs/dbraw/zinc/32/87/67/132328767.db2.gz VDRLYAAAIIDTLM-UHFFFAOYSA-N 0 0 239.706 2.179 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ccc(N)c3nonc32)C1 ZINC000035675253 132339149 /nfs/dbraw/zinc/33/91/49/132339149.db2.gz DEVDKDDLDNSNAB-DTORHVGOSA-N 0 0 246.314 2.287 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ccc(N)c3nonc32)C1 ZINC000035675255 132339183 /nfs/dbraw/zinc/33/91/83/132339183.db2.gz DEVDKDDLDNSNAB-IUCAKERBSA-N 0 0 246.314 2.287 10 0 BEAERN CC[C@H]1CCCN(c2ncccc2N)C1 ZINC000036168912 132340316 /nfs/dbraw/zinc/34/03/16/132340316.db2.gz WCSQILMRXWRLFO-JTQLQIEISA-N 0 0 205.305 2.290 10 0 BEAERN Cc1ccc(N2CCOC(C)(C)C2)c(N)c1 ZINC000036232011 132341074 /nfs/dbraw/zinc/34/10/74/132341074.db2.gz MPACLUWKUSDARM-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)cnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000036241540 132341381 /nfs/dbraw/zinc/34/13/81/132341381.db2.gz TVGXSMZCYQDABS-UWVGGRQHSA-N 0 0 219.332 2.455 10 0 BEAERN Nc1cccc(Cl)c1N1CCC(CO)CC1 ZINC000036720944 132342428 /nfs/dbraw/zinc/34/24/28/132342428.db2.gz PKLHXWOFDAIDJJ-UHFFFAOYSA-N 0 0 240.734 2.131 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1cccc(F)c1N ZINC000037419761 132344546 /nfs/dbraw/zinc/34/45/46/132344546.db2.gz GCVQTNWXFHPQRV-NXEZZACHSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@@H]1CN(c2c(F)cc(N)cc2F)CCO1 ZINC000038040133 132346029 /nfs/dbraw/zinc/34/60/29/132346029.db2.gz OENZYEDGARFXTC-SECBINFHSA-N 0 0 242.269 2.162 10 0 BEAERN Nc1cccc(Cl)c1N1CCCC[C@@H]1CO ZINC000042432207 132352305 /nfs/dbraw/zinc/35/23/05/132352305.db2.gz CTDGHMYEQIRTNU-SECBINFHSA-N 0 0 240.734 2.273 10 0 BEAERN C[C@@H]1CN(c2cccc(N)c2)CC(C)(C)O1 ZINC000045687033 132354746 /nfs/dbraw/zinc/35/47/46/132354746.db2.gz ZRMXBMPZGGCDIQ-SNVBAGLBSA-N 0 0 220.316 2.273 10 0 BEAERN COCc1ccccc1N1CCC(=O)[C@H](C)C1 ZINC000049693856 132356570 /nfs/dbraw/zinc/35/65/70/132356570.db2.gz KMVGJNDAHFZJPW-LLVKDONJSA-N 0 0 233.311 2.248 10 0 BEAERN COc1cc(F)ccc1N1CCC(=O)C[C@@H]1C ZINC000049714386 132358053 /nfs/dbraw/zinc/35/80/53/132358053.db2.gz BESLKVFTUVPZGW-VIFPVBQESA-N 0 0 237.274 2.392 10 0 BEAERN Cc1cc(C=O)ccc1N1CCN(C2CC2)CC1 ZINC000050544960 132359068 /nfs/dbraw/zinc/35/90/68/132359068.db2.gz SYCLCXFZLCLTJA-UHFFFAOYSA-N 0 0 244.338 2.092 10 0 BEAERN Cc1cc(N2CCOC(C)(C)C2)ccc1C=O ZINC000050569495 132359348 /nfs/dbraw/zinc/35/93/48/132359348.db2.gz IICBNICKMWMRBJ-UHFFFAOYSA-N 0 0 233.311 2.423 10 0 BEAERN CC[C@H]1CN(c2cc(F)ccc2N)CCO1 ZINC000052120395 132362036 /nfs/dbraw/zinc/36/20/36/132362036.db2.gz CNRKILTWWAVASD-JTQLQIEISA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1CCCC[N@@H+]1c1ccc(N)c(C(=O)[O-])c1 ZINC000058013960 132367839 /nfs/dbraw/zinc/36/78/39/132367839.db2.gz XQSCZBGYEUZXOU-SECBINFHSA-N 0 0 234.299 2.346 10 0 BEAERN CC1(C)CCN(c2ncnc(Cl)c2N)CC1 ZINC000062364643 132387489 /nfs/dbraw/zinc/38/74/89/132387489.db2.gz KIYOMNCTGFFLIO-UHFFFAOYSA-N 0 0 240.738 2.339 10 0 BEAERN CC[C@H]1CCCN(c2ncnc(Cl)c2N)C1 ZINC000062362881 132387610 /nfs/dbraw/zinc/38/76/10/132387610.db2.gz IRJOELUBWVBOSA-QMMMGPOBSA-N 0 0 240.738 2.339 10 0 BEAERN C[C@@H]1CN(c2ccc3cc[nH]c3n2)C[C@H](C)O1 ZINC000072135418 132395815 /nfs/dbraw/zinc/39/58/15/132395815.db2.gz ZDJZMSBYCOFFTP-AOOOYVTPSA-N 0 0 231.299 2.177 10 0 BEAERN Cc1cccc(N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000114183187 132438741 /nfs/dbraw/zinc/43/87/41/132438741.db2.gz XTDBOMXHMPXOJZ-GHMZBOCLSA-N 0 0 206.289 2.004 10 0 BEAERN NC(=O)c1c(Cl)cccc1N1CCCCC1 ZINC000253577278 132458136 /nfs/dbraw/zinc/45/81/36/132458136.db2.gz WWIHEGJLHCWTNZ-UHFFFAOYSA-N 0 0 238.718 2.429 10 0 BEAERN Nc1ccccc1NC(=O)c1cncc(F)c1 ZINC000156672409 133471458 /nfs/dbraw/zinc/47/14/58/133471458.db2.gz PROOQYHDCOUHKU-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CCCc1nsc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000083653114 133528616 /nfs/dbraw/zinc/52/86/16/133528616.db2.gz QQQAKERUFLTLPY-BDAKNGLRSA-N 0 0 241.360 2.470 10 0 BEAERN Cc1cnc(NC(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000335759111 133893758 /nfs/dbraw/zinc/89/37/58/133893758.db2.gz PUMOUMQMDVDABY-DTORHVGOSA-N 0 0 237.303 2.493 10 0 BEAERN O=C1N[C@H](C2CC2)C(=O)N1[C@H]1CCC12CCCC2 ZINC000335764897 133896788 /nfs/dbraw/zinc/89/67/88/133896788.db2.gz HPXMVFOYNIGIQX-WDEREUQCSA-N 0 0 248.326 2.040 10 0 BEAERN CC(C)c1nccnc1N(C)CC1(O)CCCC1 ZINC000350471748 133955178 /nfs/dbraw/zinc/95/51/78/133955178.db2.gz BYFNPFILRJRCOE-UHFFFAOYSA-N 0 0 249.358 2.341 10 0 BEAERN C[C@@H]1C[C@@H](CNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000335934923 134011983 /nfs/dbraw/zinc/01/19/83/134011983.db2.gz IFRXGXXYVZGUCN-JGPRNRPPSA-N 0 0 227.348 2.352 10 0 BEAERN CCN(C)C(=O)N[C@H]1CCC12CCCC2 ZINC000335955612 134022861 /nfs/dbraw/zinc/02/28/61/134022861.db2.gz ZJMQZKJHDXVSDN-JTQLQIEISA-N 0 0 210.321 2.371 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOc2ncccc21 ZINC000335985401 134038774 /nfs/dbraw/zinc/03/87/74/134038774.db2.gz PNEGEEYRIDGZRP-QWRGUYRKSA-N 0 0 246.310 2.243 10 0 BEAERN Cc1cnc(NC(=O)N2C[C@@H]3CCC[C@H]32)s1 ZINC000335998301 134043456 /nfs/dbraw/zinc/04/34/56/134043456.db2.gz WUXFVXZJEUPJIQ-DTWKUNHWSA-N 0 0 237.328 2.468 10 0 BEAERN Cc1nnc(N2CCC[C@H]2C2CCCC2)n1C ZINC000336004517 134048631 /nfs/dbraw/zinc/04/86/31/134048631.db2.gz VMIOZVFCEAYJHN-LBPRGKRZSA-N 0 0 234.347 2.283 10 0 BEAERN Cc1nc([C@@H]2CCCN(C(N)=O)C2)sc1C ZINC000336030664 134058241 /nfs/dbraw/zinc/05/82/41/134058241.db2.gz QINRDYAQPULLCU-SECBINFHSA-N 0 0 239.344 2.018 10 0 BEAERN Cc1nc([C@H]2CCCN(C(N)=O)C2)sc1C ZINC000336030665 134058250 /nfs/dbraw/zinc/05/82/50/134058250.db2.gz QINRDYAQPULLCU-VIFPVBQESA-N 0 0 239.344 2.018 10 0 BEAERN CSC1(C(=O)N2CCS[C@@H](C)C2)CCC1 ZINC000336043563 134062589 /nfs/dbraw/zinc/06/25/89/134062589.db2.gz MPXPFHZRLBGZFH-VIFPVBQESA-N 0 0 245.413 2.236 10 0 BEAERN CC1(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000336110473 134086325 /nfs/dbraw/zinc/08/63/25/134086325.db2.gz MVOVOHUVXLYJDF-RYUDHWBXSA-N 0 0 237.343 2.347 10 0 BEAERN CCn1c(C)nnc1N1CCC[C@H](C)[C@H]1C ZINC000336186286 134121473 /nfs/dbraw/zinc/12/14/73/134121473.db2.gz CMXTUPIKJOYPKM-VHSXEESVSA-N 0 0 222.336 2.231 10 0 BEAERN Nc1cccc(-c2nc(-c3ccsc3)no2)n1 ZINC000168409025 134198271 /nfs/dbraw/zinc/19/82/71/134198271.db2.gz JJBNBBQONPGFTK-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN COCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000171351132 134256592 /nfs/dbraw/zinc/25/65/92/134256592.db2.gz WDHBPUSUEAXPTD-UHFFFAOYSA-N 0 0 245.322 2.339 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000172163216 134262021 /nfs/dbraw/zinc/26/20/21/134262021.db2.gz YDYDGEOTNLFKOT-WGBDABJCSA-N 0 0 249.310 2.333 10 0 BEAERN Cc1cnc(CN2CCCC[C@H]2c2cn[nH]c2)o1 ZINC000173398552 134274348 /nfs/dbraw/zinc/27/43/48/134274348.db2.gz JFSOPWYFRJROLW-LBPRGKRZSA-N 0 0 246.314 2.433 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174281224 134279801 /nfs/dbraw/zinc/27/98/01/134279801.db2.gz CLDAQHAVGWKNAN-SRVKXCTJSA-N 0 0 225.332 2.060 10 0 BEAERN COC[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000175135312 134284937 /nfs/dbraw/zinc/28/49/37/134284937.db2.gz YOFVOXBYUHEPPR-MXWKQRLJSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(CC)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176974539 134295238 /nfs/dbraw/zinc/29/52/38/134295238.db2.gz XVVVAOLIFXSLFZ-CYBMUJFWSA-N 0 0 240.391 2.365 10 0 BEAERN CC[C@H](C)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177148459 134295875 /nfs/dbraw/zinc/29/58/75/134295875.db2.gz RGLDUUSQTSKELY-AAEUAGOBSA-N 0 0 249.358 2.229 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2c(O)cccc2O)C1 ZINC000220252936 134301703 /nfs/dbraw/zinc/30/17/03/134301703.db2.gz PSYZHONCVZHJIO-JTQLQIEISA-N 0 0 249.310 2.216 10 0 BEAERN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178293612 134305999 /nfs/dbraw/zinc/30/59/99/134305999.db2.gz PSOYFIPUZMJABH-KSTCHIGDSA-N 0 0 249.354 2.203 10 0 BEAERN CC(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178340448 134308695 /nfs/dbraw/zinc/30/86/95/134308695.db2.gz ZMOOQRNNJVZXTQ-HIFRSBDPSA-N 0 0 247.338 2.197 10 0 BEAERN CCCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178342937 134308704 /nfs/dbraw/zinc/30/87/04/134308704.db2.gz FGODQVUYBCBWPY-HIFRSBDPSA-N 0 0 247.338 2.341 10 0 BEAERN Cc1cnc([C@@H](C)NCc2cccn2C)o1 ZINC000220950230 134315053 /nfs/dbraw/zinc/31/50/53/134315053.db2.gz HHIHNDZPOXCJQZ-SNVBAGLBSA-N 0 0 219.288 2.172 10 0 BEAERN c1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c[nH]1 ZINC000179855188 134324304 /nfs/dbraw/zinc/32/43/04/134324304.db2.gz UZYGSNDQGGFKJH-LBPRGKRZSA-N 0 0 230.315 2.117 10 0 BEAERN CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)OC)c1C ZINC000223969112 134343330 /nfs/dbraw/zinc/34/33/30/134343330.db2.gz YZAUKBJTLGMREW-VHSXEESVSA-N 0 0 239.363 2.205 10 0 BEAERN CCc1nn(C)cc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000225871533 134356343 /nfs/dbraw/zinc/35/63/43/134356343.db2.gz XQCHKXANVJNHCC-WQAKAFBOSA-N 0 0 249.358 2.208 10 0 BEAERN CCCCCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000225652364 134356497 /nfs/dbraw/zinc/35/64/97/134356497.db2.gz ZWGUOXHWAZENET-NEPJUHHUSA-N 0 0 227.348 2.234 10 0 BEAERN O=C(OCC1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000184393423 134362674 /nfs/dbraw/zinc/36/26/74/134362674.db2.gz QHGUTEYCMPBCAE-NWDGAFQWSA-N 0 0 239.315 2.176 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000226625748 134368243 /nfs/dbraw/zinc/36/82/43/134368243.db2.gz MPXDSSRIEKSIBY-XQHKEYJVSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1O ZINC000226714088 134370968 /nfs/dbraw/zinc/37/09/68/134370968.db2.gz ZMXKKILKBQFLJR-JTQLQIEISA-N 0 0 221.300 2.475 10 0 BEAERN CCn1cc(CN[C@H](C)c2ncc(C)o2)cn1 ZINC000227556391 134383565 /nfs/dbraw/zinc/38/35/65/134383565.db2.gz XDESDLRBVKWSDY-SNVBAGLBSA-N 0 0 234.303 2.050 10 0 BEAERN CC[C@H](NC(=O)N[C@@H]1CCO[C@H](C)C1)C(C)C ZINC000408076456 134386645 /nfs/dbraw/zinc/38/66/45/134386645.db2.gz JEAKTIWWSGLVQX-UTUOFQBUSA-N 0 0 242.363 2.288 10 0 BEAERN C[C@@H](NC(=O)C1(C)CCCC1)c1ccon1 ZINC000408143578 134406326 /nfs/dbraw/zinc/40/63/26/134406326.db2.gz AHWLNKAWZDCAMD-SECBINFHSA-N 0 0 222.288 2.432 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000187782699 134472935 /nfs/dbraw/zinc/47/29/35/134472935.db2.gz NUCGGHQSOYINRK-UHTWSYAYSA-N 0 0 249.358 2.344 10 0 BEAERN Cc1cccc(C)c1C(=O)N1CC[C@@H](CCO)C1 ZINC000230186578 134487280 /nfs/dbraw/zinc/48/72/80/134487280.db2.gz CUTSXQSCZWMRFY-ZDUSSCGKSA-N 0 0 247.338 2.148 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCC(=O)C(C)(C)C ZINC000230175970 134487360 /nfs/dbraw/zinc/48/73/60/134487360.db2.gz PPAXPTABRBKRBN-UWVGGRQHSA-N 0 0 225.332 2.154 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000190491653 134561270 /nfs/dbraw/zinc/56/12/70/134561270.db2.gz PYHDQMBJSZOOLQ-UPJWGTAASA-N 0 0 239.359 2.450 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](CO)CC1 ZINC000356041535 134617077 /nfs/dbraw/zinc/61/70/77/134617077.db2.gz GNCHWFPXJMOVSU-UPJWGTAASA-N 0 0 239.359 2.044 10 0 BEAERN CC(C)Cn1ccnc1CNC(=O)c1ccoc1 ZINC000131142591 134627104 /nfs/dbraw/zinc/62/71/04/134627104.db2.gz XFURFMHQOHSTPW-UHFFFAOYSA-N 0 0 247.298 2.062 10 0 BEAERN CSCCCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000131136459 134627248 /nfs/dbraw/zinc/62/72/48/134627248.db2.gz FAWOCHPLOSAFGK-PHIMTYICSA-N 0 0 245.388 2.156 10 0 BEAERN Cc1cc(C)n([C@H](C)C(=O)NC2CCCC2)n1 ZINC000049307167 134631374 /nfs/dbraw/zinc/63/13/74/134631374.db2.gz LNRNSCDEONETSL-LLVKDONJSA-N 0 0 235.331 2.120 10 0 BEAERN COc1ccc(C(=O)NCc2cscn2)cc1 ZINC000050407916 134661040 /nfs/dbraw/zinc/66/10/40/134661040.db2.gz AFQLUHCYBLKJBP-UHFFFAOYSA-N 0 0 248.307 2.082 10 0 BEAERN OCCC1(CNc2ncccc2Cl)CC1 ZINC000133018267 134672382 /nfs/dbraw/zinc/67/23/82/134672382.db2.gz XPJLQBHMLHQACM-UHFFFAOYSA-N 0 0 226.707 2.310 10 0 BEAERN O=C(N[C@H]1C[C@H]1c1ccccc1)NC1CCC1 ZINC000134456282 134710029 /nfs/dbraw/zinc/71/00/29/134710029.db2.gz BRUXEADXFXVXGA-STQMWFEESA-N 0 0 230.311 2.394 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccc(C)cc1F ZINC000134874380 134726062 /nfs/dbraw/zinc/72/60/62/134726062.db2.gz CBVDTSALGUMHFB-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN CN(CC(F)(F)F)[C@@H]1CCCc2c1cnn2C ZINC000135591274 134753532 /nfs/dbraw/zinc/75/35/32/134753532.db2.gz BXGIFTVLNTYRAO-SECBINFHSA-N 0 0 247.264 2.292 10 0 BEAERN Cc1nnc(N[C@H]2COc3ccccc32)nc1C ZINC000159096418 134760955 /nfs/dbraw/zinc/76/09/55/134760955.db2.gz AJJMXYASQOZDLH-NSHDSACASA-N 0 0 242.282 2.034 10 0 BEAERN Cc1nc(-c2cccc(C(N)=O)c2)cs1 ZINC000137075574 134779322 /nfs/dbraw/zinc/77/93/22/134779322.db2.gz YFZLXDWCAUCPMU-UHFFFAOYSA-N 0 0 218.281 2.217 10 0 BEAERN Cn1c(CNc2ccccc2)nnc1C1CC1 ZINC000194990288 134833857 /nfs/dbraw/zinc/83/38/57/134833857.db2.gz NNPRZBDBFVRKFL-UHFFFAOYSA-N 0 0 228.299 2.305 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)O1 ZINC000246054027 134875835 /nfs/dbraw/zinc/87/58/35/134875835.db2.gz QIUFVWBNCYKGGU-KVSVUVNWSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H](C1CC1)N(C(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000246111772 134878170 /nfs/dbraw/zinc/87/81/70/134878170.db2.gz XNQMTTHPIMMZFC-GIPNMCIBSA-N 0 0 237.343 2.343 10 0 BEAERN C[C@H](CCc1cccn1C)NC(=O)N[C@@H]1C[C@@H]1C ZINC000247399224 134981171 /nfs/dbraw/zinc/98/11/71/134981171.db2.gz HQISASNSWJSROY-DMDPSCGWSA-N 0 0 249.358 2.054 10 0 BEAERN C[C@H](CCO)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248519162 135002622 /nfs/dbraw/zinc/00/26/22/135002622.db2.gz AWWJXBYJMRJJNH-UTUOFQBUSA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)[C@@]1(C)C[C@@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000248541111 135003458 /nfs/dbraw/zinc/00/34/58/135003458.db2.gz BOWAOZBDKRUSSB-GFQSEFKGSA-N 0 0 239.359 2.304 10 0 BEAERN C[C@@H]1CC[C@H](C)N(Cc2nnc(C3CC3)n2C)C1 ZINC000076148933 135013261 /nfs/dbraw/zinc/01/32/61/135013261.db2.gz SUZDUGZKJKLUCI-MNOVXSKESA-N 0 0 248.374 2.313 10 0 BEAERN CO[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000248931196 135027278 /nfs/dbraw/zinc/02/72/78/135027278.db2.gz MKMMCCYJJWTJQC-KGYLQXTDSA-N 0 0 239.359 2.354 10 0 BEAERN CCCCCNC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249771342 135045103 /nfs/dbraw/zinc/04/51/03/135045103.db2.gz JLUCJONTMBNBDF-TUAOUCFPSA-N 0 0 240.347 2.043 10 0 BEAERN CCC[C@H](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000250288231 135051778 /nfs/dbraw/zinc/05/17/78/135051778.db2.gz NLSGVXLAUSJQCG-SRVKXCTJSA-N 0 0 227.348 2.449 10 0 BEAERN CC(C)CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077206039 135060025 /nfs/dbraw/zinc/06/00/25/135060025.db2.gz JOEAPRXGXHAMFS-VXGBXAGGSA-N 0 0 227.348 2.090 10 0 BEAERN COc1ccc([C@@H]2C[C@H](C)N(C(C)=O)C2)cc1 ZINC000078188397 135110127 /nfs/dbraw/zinc/11/01/27/135110127.db2.gz JOCXEWQVQNZDTD-GXFFZTMASA-N 0 0 233.311 2.420 10 0 BEAERN CCOC[C@@H](C)Nc1cc(CC)nc(C)n1 ZINC000084082045 135182229 /nfs/dbraw/zinc/18/22/29/135182229.db2.gz WJHGXCJMUIEIHH-SECBINFHSA-N 0 0 223.320 2.184 10 0 BEAERN CCCCN(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000079487633 135327202 /nfs/dbraw/zinc/32/72/02/135327202.db2.gz NYGKQPOAYHXJQI-RYUDHWBXSA-N 0 0 242.363 2.386 10 0 BEAERN Cc1ccc2c(c1)[C@H]([N@H+](C)CC(=O)[O-])[C@H](C)C2 ZINC000263447641 135355652 /nfs/dbraw/zinc/35/56/52/135355652.db2.gz YHKRCDSLRSQZIQ-QMTHXVAHSA-N 0 0 233.311 2.245 10 0 BEAERN Cc1nc(C)c(CNCc2ccnc(C)n2)s1 ZINC000076866890 135391540 /nfs/dbraw/zinc/39/15/40/135391540.db2.gz NCRRRJZAOGNZQW-UHFFFAOYSA-N 0 0 248.355 2.148 10 0 BEAERN CC(C)c1nsc(NC[C@H]2CCC[C@H]2O)n1 ZINC000084232795 135468999 /nfs/dbraw/zinc/46/89/99/135468999.db2.gz PYJCQGDKCOLQKE-RKDXNWHRSA-N 0 0 241.360 2.234 10 0 BEAERN c1csc(-c2cnc3n2CCOC3)c1 ZINC000005387515 135575694 /nfs/dbraw/zinc/57/56/94/135575694.db2.gz KWLMSKFAMDBBIK-UHFFFAOYSA-N 0 0 206.270 2.142 10 0 BEAERN C[C@]1(c2nc([C@H]3CC34CC4)no2)CCCOC1 ZINC000334971739 135854496 /nfs/dbraw/zinc/85/44/96/135854496.db2.gz XXMGAYALNFREBD-SKDRFNHKSA-N 0 0 234.299 2.405 10 0 BEAERN CC[C@@H](C)CS(=O)(=O)N1CCCC1(C)C ZINC000113288509 135894009 /nfs/dbraw/zinc/89/40/09/135894009.db2.gz AATLHRTWCZZBBU-SNVBAGLBSA-N 0 0 233.377 2.237 10 0 BEAERN CC[C@H](C)NC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000346048180 135909955 /nfs/dbraw/zinc/90/99/55/135909955.db2.gz NCLBNJCSIKTIFT-YFKTTZPYSA-N 0 0 242.363 2.288 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)C1CC2(CCC2)C1 ZINC000335374647 136085272 /nfs/dbraw/zinc/08/52/72/136085272.db2.gz FZVNWSOAJZCLRQ-PHIMTYICSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@H]1C[C@@H](O)CN(C(=O)CC2CC(C)(C)C2)C1 ZINC000335384629 136088358 /nfs/dbraw/zinc/08/83/58/136088358.db2.gz KZSAYRHZTSBWIG-CMPLNLGQSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CC2CC(C)(C)C2)C1 ZINC000335384630 136088428 /nfs/dbraw/zinc/08/84/28/136088428.db2.gz KZSAYRHZTSBWIG-JQWIXIFHSA-N 0 0 239.359 2.042 10 0 BEAERN CCOC[C@H](C)Nc1cnc2ccccc2n1 ZINC000049776421 322847335 /nfs/dbraw/zinc/84/73/35/322847335.db2.gz FWPNPZPLXYKQIK-JTQLQIEISA-N 0 0 231.299 2.467 10 0 BEAERN CC(C)C[NH+](CC(C)C)[C@H](C)C(=O)[O-] ZINC000011798610 166949992 /nfs/dbraw/zinc/94/99/92/166949992.db2.gz USBOIYPNAUHDGE-SNVBAGLBSA-N 0 0 201.310 2.074 10 0 BEAERN CCN(C(=O)[C@H](C)COC)[C@H](C)C(C)C ZINC000103387437 397779391 /nfs/dbraw/zinc/77/93/91/397779391.db2.gz IVTLXURUPNLLFO-GHMZBOCLSA-N 0 0 215.337 2.162 10 0 BEAERN C/C=C/Cn1cnc2c1ncnc2Cl ZINC000169377391 397811506 /nfs/dbraw/zinc/81/15/06/397811506.db2.gz RNXOBARRSFMEEV-NSCUHMNNSA-N 0 0 208.652 2.056 10 0 BEAERN Cc1nc(-c2cccs2)nc(=S)[nH]1 ZINC000575460626 397944275 /nfs/dbraw/zinc/94/42/75/397944275.db2.gz IYCSBLCCLOORGW-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC1(C)OCC[C@H]1c1noc(Cl)n1 ZINC000575465725 397949774 /nfs/dbraw/zinc/94/97/74/397949774.db2.gz QUGZJVGFPFHRKG-YFKPBYRVSA-N 0 0 202.641 2.006 10 0 BEAERN CCOC(=O)C(C(=O)OCC)C1(C)CCCC1 ZINC000196145949 397951602 /nfs/dbraw/zinc/95/16/02/397951602.db2.gz OHDZMKTYLMBRPC-UHFFFAOYSA-N 0 0 242.315 2.309 10 0 BEAERN CC[N@@H+]1CCC[C@@H](Nc2ccnc(C(C)C)n2)C1 ZINC000110261067 397903525 /nfs/dbraw/zinc/90/35/25/397903525.db2.gz ZHAACOMKQPQQGC-GFCCVEGCSA-N 0 0 248.374 2.496 10 0 BEAERN C[C@H]1C[C@@]1(C)c1nc(Br)no1 ZINC000575467672 397995104 /nfs/dbraw/zinc/99/51/04/397995104.db2.gz ZIJGJENGGXACEC-MHTLYPKNSA-N 0 0 217.066 2.130 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C1(Br)CCCC1 ZINC000307174917 398006019 /nfs/dbraw/zinc/00/60/19/398006019.db2.gz RIRANUYQJXRVSK-HTQZYQBOSA-N 0 0 246.148 2.219 10 0 BEAERN C[C@H]1CC[C@@]1(O)c1cccnc1Br ZINC000575597986 398015528 /nfs/dbraw/zinc/01/55/28/398015528.db2.gz VFBXAMYJYOUTTI-XVKPBYJWSA-N 0 0 242.116 2.462 10 0 BEAERN CC(C)N(C)c1nc(F)ncc1Cl ZINC000575599353 398019039 /nfs/dbraw/zinc/01/90/39/398019039.db2.gz LESDMXMITFVVRY-UHFFFAOYSA-N 0 0 203.648 2.114 10 0 BEAERN CCCc1ncnc(F)c1Br ZINC000575599337 398019077 /nfs/dbraw/zinc/01/90/77/398019077.db2.gz KVLYTYYDUOOGCZ-UHFFFAOYSA-N 0 0 219.057 2.331 10 0 BEAERN CCOc1c(C)ccc(CO)c1OC(F)F ZINC000575656455 398037985 /nfs/dbraw/zinc/03/79/85/398037985.db2.gz GWMAJSCLEAQKMK-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN Brc1ccnn1-c1ccncc1 ZINC000137311900 397969776 /nfs/dbraw/zinc/96/97/76/397969776.db2.gz CXXYUWXJKHWEAN-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN CC(C)C(=O)N[C@@H]1CCCSCC1 ZINC000575519005 397975614 /nfs/dbraw/zinc/97/56/14/397975614.db2.gz YDJPOBBFSGERBS-SECBINFHSA-N 0 0 201.335 2.044 10 0 BEAERN CC[C@@]1(C)C[C@@H]1NC1N=NC(=S)S1 ZINC000307122357 397982407 /nfs/dbraw/zinc/98/24/07/397982407.db2.gz LOYBHWJLUXPXQM-XNCJUZBTSA-N 0 0 215.347 2.427 10 0 BEAERN CC(F)(F)CNc1cnnc(Cl)c1 ZINC000575467141 397989354 /nfs/dbraw/zinc/98/93/54/397989354.db2.gz GAXFIFSXDREUFD-UHFFFAOYSA-N 0 0 207.611 2.197 10 0 BEAERN CNc1cccc([C@@H]2CCN(C(=O)OC)C2)c1 ZINC000616611683 398068522 /nfs/dbraw/zinc/06/85/22/398068522.db2.gz KHBFYQCYPGEOHO-LLVKDONJSA-N 0 0 234.299 2.284 10 0 BEAERN Cc1ccc([C@@H](C)n2cc(N)cn2)cc1 ZINC000616588765 398071182 /nfs/dbraw/zinc/07/11/82/398071182.db2.gz FGZAVWLRYFNERF-SNVBAGLBSA-N 0 0 201.273 2.383 10 0 BEAERN C[C@H](C(N)=O)c1cccc(N2CCCCC2)c1 ZINC000584594079 398077024 /nfs/dbraw/zinc/07/70/24/398077024.db2.gz QRNVHJIDEZVZNU-NSHDSACASA-N 0 0 232.327 2.266 10 0 BEAERN Cc1cccc(CC(=O)OC(C)(C)C)c1N ZINC000584594248 398077086 /nfs/dbraw/zinc/07/70/86/398077086.db2.gz QKKUFUIIWDBMPJ-UHFFFAOYSA-N 0 0 221.300 2.461 10 0 BEAERN C[C@@H](C(N)=O)c1cccc(N2CCCCC2)c1 ZINC000584594078 398077212 /nfs/dbraw/zinc/07/72/12/398077212.db2.gz QRNVHJIDEZVZNU-LLVKDONJSA-N 0 0 232.327 2.266 10 0 BEAERN C[Si](C)(C)C(=O)C(=O)c1ccccc1 ZINC000584627270 398080282 /nfs/dbraw/zinc/08/02/82/398080282.db2.gz QJBJMBHNFARUMH-UHFFFAOYSA-N 0 0 206.317 2.316 10 0 BEAERN COC(=O)N(OC)c1ccccc1Cl ZINC000584647837 398080821 /nfs/dbraw/zinc/08/08/21/398080821.db2.gz LOBMEZYUCSYOAF-UHFFFAOYSA-N 0 0 215.636 2.474 10 0 BEAERN CC(C)(C)SC(=O)CC(=O)C1CC1 ZINC000584645946 398085772 /nfs/dbraw/zinc/08/57/72/398085772.db2.gz HBJCWPWTPUERMK-UHFFFAOYSA-N 0 0 200.303 2.414 10 0 BEAERN C[C@H]1CCCCC[C@@H]1N(C)C(N)=S ZINC000575490189 398053869 /nfs/dbraw/zinc/05/38/69/398053869.db2.gz YYVXRXVGYCXJLE-IUCAKERBSA-N 0 0 200.351 2.131 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H]2C)o1 ZINC000246225540 398121163 /nfs/dbraw/zinc/12/11/63/398121163.db2.gz RSSMPLOJKCRWJI-JEZHCXPESA-N 0 0 222.288 2.357 10 0 BEAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC1CCCC1 ZINC000192772189 398109239 /nfs/dbraw/zinc/10/92/39/398109239.db2.gz UFIJFRGDWAUDCV-VXGBXAGGSA-N 0 0 233.311 2.128 10 0 BEAERN COC(=O)c1cc(C)c(Cl)c(F)c1N ZINC000306229260 398133909 /nfs/dbraw/zinc/13/39/09/398133909.db2.gz YEJWDIXHZBEJOD-UHFFFAOYSA-N 0 0 217.627 2.156 10 0 BEAERN CC[C@@H]1CCCN1C(=O)c1ccc(F)cc1N ZINC000062822843 1172783556 /nfs/dbraw/zinc/78/35/56/1172783556.db2.gz DHIGODWMEHINQB-SNVBAGLBSA-N 0 0 236.290 2.423 10 0 BEAERN O=c1nc2ccc(C(F)(F)F)cc2c[nH]1 ZINC000259272600 322881387 /nfs/dbraw/zinc/88/13/87/322881387.db2.gz GZGQNFRHYZBRCW-UHFFFAOYSA-N 0 0 214.146 2.354 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829224 487560580 /nfs/dbraw/zinc/56/05/80/487560580.db2.gz FSBMBORUYFEDLA-PWSUYJOCSA-N 0 0 213.321 2.218 10 0 BEAERN O=C(NCC[C@H]1CCCO1)C1CCCCC1 ZINC000058667202 487565084 /nfs/dbraw/zinc/56/50/84/487565084.db2.gz LAWAEEVLFUPXPS-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN Clc1snnc1CN1C[C@@H]2CCC[C@@H]21 ZINC000674389387 487570060 /nfs/dbraw/zinc/57/00/60/487570060.db2.gz QPCXBEITEKYFTA-XPUUQOCRSA-N 0 0 229.736 2.176 10 0 BEAERN COCC[C@H](C)n1cnc2c1CCCC2 ZINC000130465945 487577929 /nfs/dbraw/zinc/57/79/29/487577929.db2.gz HDIUWPNBPMSFQG-JTQLQIEISA-N 0 0 208.305 2.359 10 0 BEAERN COCC[C@@H](C)n1cnc2c1CCCC2 ZINC000130466124 487578943 /nfs/dbraw/zinc/57/89/43/487578943.db2.gz HDIUWPNBPMSFQG-SNVBAGLBSA-N 0 0 208.305 2.359 10 0 BEAERN CC(C)Oc1ccc([C@H](O)CCCO)cc1 ZINC000098124933 167300828 /nfs/dbraw/zinc/30/08/28/167300828.db2.gz OCWNPLFXNAHRDL-CYBMUJFWSA-N 0 0 224.300 2.280 10 0 BEAERN CC(C)S(=O)(=O)Nc1ccc(Cl)cc1N ZINC000037657230 167319329 /nfs/dbraw/zinc/31/93/29/167319329.db2.gz OIXKGAYHCNVGAI-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN c1coc([C@@H]2C[C@@H]2c2nc([C@@H]3CCOC3)no2)c1 ZINC000119030866 409594805 /nfs/dbraw/zinc/59/48/05/409594805.db2.gz HJWISZOXQFEANZ-BBBLOLIVSA-N 0 0 246.266 2.438 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)c2ncccc2N)C[C@@H]1C ZINC000132738556 409779615 /nfs/dbraw/zinc/77/96/15/409779615.db2.gz RHVDRRSBBHBBRU-OUAUKWLOSA-N 0 0 247.342 2.218 10 0 BEAERN Brc1cc(-n2ccnc2)ccn1 ZINC000044118609 166096209 /nfs/dbraw/zinc/09/62/09/166096209.db2.gz LCOCZAMFACRLQT-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cc([C@@H]2CCOC2)ccn1 ZINC000044121960 166095547 /nfs/dbraw/zinc/09/55/47/166095547.db2.gz WEVOZNQIMUACFJ-MRVPVSSYSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1ccc(-c2cccnc2)nn1 ZINC000042750197 166096685 /nfs/dbraw/zinc/09/66/85/166096685.db2.gz QKBBEDNMZSDEPW-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccc(NC[C@H]2CO2)cc1 ZINC000071261244 166097350 /nfs/dbraw/zinc/09/73/50/166097350.db2.gz GILQHUOPGMYACW-VIFPVBQESA-N 0 0 228.089 2.260 10 0 BEAERN Brc1ccc(Cc2ncon2)cc1 ZINC000096295474 166098159 /nfs/dbraw/zinc/09/81/59/166098159.db2.gz SYPPEFMXGOMYCV-UHFFFAOYSA-N 0 0 239.072 2.423 10 0 BEAERN Brc1ccc([C@@H]2CCOC2)cn1 ZINC000044121941 166099415 /nfs/dbraw/zinc/09/94/15/166099415.db2.gz CBOYCVNIOIUOGA-MRVPVSSYSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1ccc2cnc(C3CC3)nn12 ZINC000082329795 166100175 /nfs/dbraw/zinc/10/01/75/166100175.db2.gz LBVSFOFRYUDXEW-UHFFFAOYSA-N 0 0 238.088 2.369 10 0 BEAERN Brc1cccc(-c2cn[nH]c2)n1 ZINC000202093479 166101561 /nfs/dbraw/zinc/10/15/61/166101561.db2.gz CNFRDGLBZLXPNA-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Brc1cccc(-c2ncco2)n1 ZINC000082049882 166102044 /nfs/dbraw/zinc/10/20/44/166102044.db2.gz NDAHLWVLLPTDDA-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cncc(C2CCOCC2)n1 ZINC000072193056 166104139 /nfs/dbraw/zinc/10/41/39/166104139.db2.gz BHMRIKSSACXQHZ-UHFFFAOYSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1ccnc2cnsc21 ZINC000082370632 166102973 /nfs/dbraw/zinc/10/29/73/166102973.db2.gz VBIKPIQSWKTYMN-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1ccnc(-c2ccccn2)n1 ZINC000044117200 166103313 /nfs/dbraw/zinc/10/33/13/166103313.db2.gz WQINVZKQEPMVLU-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cnc(-c2ccco2)nc1 ZINC000072192018 166104641 /nfs/dbraw/zinc/10/46/41/166104641.db2.gz DWBKHLWRHZCYLX-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cnc([C@@H]2CCCOC2)cn1 ZINC000044122229 166105077 /nfs/dbraw/zinc/10/50/77/166105077.db2.gz CHEICDHDKYODEF-SSDOTTSWSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1cncc(-c2ccccn2)n1 ZINC000044120237 166105128 /nfs/dbraw/zinc/10/51/28/166105128.db2.gz KNQZJGXDWVJYMY-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cncc2cnccc12 ZINC000085344559 166106338 /nfs/dbraw/zinc/10/63/38/166106338.db2.gz AZSTZKZCZFRDHB-UHFFFAOYSA-N 0 0 209.046 2.392 10 0 BEAERN CCCc1nccnc1N1CCC(C)(CO)CC1 ZINC000663804403 410330988 /nfs/dbraw/zinc/33/09/88/410330988.db2.gz ZQAAKIYSWXIULC-UHFFFAOYSA-N 0 0 249.358 2.028 10 0 BEAERN Cc1cc(CO)cc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000664056593 410447083 /nfs/dbraw/zinc/44/70/83/410447083.db2.gz STIAPQAXAVLXQC-YNEHKIRRSA-N 0 0 232.327 2.483 10 0 BEAERN CC1(C)COC(=O)N1c1nc(Cl)ncc1F ZINC000142043048 410520123 /nfs/dbraw/zinc/52/01/23/410520123.db2.gz OVADIACNKQUBJU-UHFFFAOYSA-N 0 0 245.641 2.004 10 0 BEAERN CCN(CC)C(=O)[C@H](C)Nc1ccccc1F ZINC000052684482 169758440 /nfs/dbraw/zinc/75/84/40/169758440.db2.gz JKXWEFGUTVHDPQ-JTQLQIEISA-N 0 0 238.306 2.495 10 0 BEAERN CCN(CC)C(=O)c1c(C)cccc1N ZINC000022170417 169759442 /nfs/dbraw/zinc/75/94/42/169759442.db2.gz VULFNCDDZJKYBT-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN CC(=O)c1c(C)oc2ccc(O)cc2c1=O ZINC000039098042 166433849 /nfs/dbraw/zinc/43/38/49/166433849.db2.gz XOQQQUWOPDSNKS-UHFFFAOYSA-N 0 0 218.208 2.010 10 0 BEAERN CC(=O)c1cc(N(C)C)c(Cl)cc1N ZINC000075622252 166446812 /nfs/dbraw/zinc/44/68/12/166446812.db2.gz GKWYQIJSHAFRNA-UHFFFAOYSA-N 0 0 212.680 2.191 10 0 BEAERN CC(=O)c1cccc(OCc2noc(C)n2)c1 ZINC000020253844 166479028 /nfs/dbraw/zinc/47/90/28/166479028.db2.gz BBCSMPTZUGCUBG-UHFFFAOYSA-N 0 0 232.239 2.160 10 0 BEAERN COC[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C ZINC000171509062 410691737 /nfs/dbraw/zinc/69/17/37/410691737.db2.gz GYCAYYWHMDFKRY-VXGBXAGGSA-N 0 0 247.338 2.415 10 0 BEAERN COC[C@H](C)C(=O)N1CCc2ccccc2[C@H]1C ZINC000171509054 410692232 /nfs/dbraw/zinc/69/22/32/410692232.db2.gz GYCAYYWHMDFKRY-NWDGAFQWSA-N 0 0 247.338 2.415 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(CO)cc1N ZINC000089194807 166670141 /nfs/dbraw/zinc/67/01/41/166670141.db2.gz IOJHRQZDXCODGB-UHFFFAOYSA-N 0 0 238.287 2.108 10 0 BEAERN CSc1ccnc(NC[C@H](O)C(C)(C)C)n1 ZINC000324457073 487618681 /nfs/dbraw/zinc/61/86/81/487618681.db2.gz XDFZLNSKRSHLJN-QMMMGPOBSA-N 0 0 241.360 2.017 10 0 BEAERN CC(C)CCN1c2cc(F)ccc2C(=O)C1=O ZINC000019967008 166836564 /nfs/dbraw/zinc/83/65/64/166836564.db2.gz UHBHLNNNNNCXLM-UHFFFAOYSA-N 0 0 235.258 2.401 10 0 BEAERN CC(C)CC[C@@](C)([NH2+]C[C@H]1CCCO1)C(=O)[O-] ZINC000037956323 166902120 /nfs/dbraw/zinc/90/21/20/166902120.db2.gz CSTRGNWXOFHWNK-DGCLKSJQSA-N 0 0 243.347 2.035 10 0 BEAERN CC(C)CN(C(=O)c1cc(N)c[nH]1)C(C)C ZINC000042271384 166927168 /nfs/dbraw/zinc/92/71/68/166927168.db2.gz VQSZXJLTPSXGIG-UHFFFAOYSA-N 0 0 223.320 2.104 10 0 BEAERN CC(C)C[NH2+][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000037965465 167013636 /nfs/dbraw/zinc/01/36/36/167013636.db2.gz YCHZGYJUKXMKOL-NSHDSACASA-N 0 0 243.253 2.336 10 0 BEAERN CC(C)COCC(=O)Nc1ccc(F)c(N)c1 ZINC000019385441 167022894 /nfs/dbraw/zinc/02/28/94/167022894.db2.gz KOIWPBIMBNUBCR-UHFFFAOYSA-N 0 0 240.278 2.019 10 0 BEAERN CC(C)[N@@H+]1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592206 167027932 /nfs/dbraw/zinc/02/79/32/167027932.db2.gz PVOVANQASJQMNR-JTQLQIEISA-N 0 0 225.313 2.140 10 0 BEAERN CC(C)[N@H+]1[C@@H]2CC[C@H]1CC(CC(=O)[O-])C2 ZINC000062570442 167035565 /nfs/dbraw/zinc/03/55/65/167035565.db2.gz HARCMBOBRQDYKU-FGWVZKOKSA-N 0 0 211.305 2.113 10 0 BEAERN CC(C)NC(=O)NCC[C@@H]1CNc2ccccc21 ZINC000020209448 167073748 /nfs/dbraw/zinc/07/37/48/167073748.db2.gz UAIXURURPDVDMP-LLVKDONJSA-N 0 0 247.342 2.293 10 0 BEAERN CC(C)NC(=O)N[C@H](C)c1ccc(N)cc1 ZINC000037178828 167076993 /nfs/dbraw/zinc/07/69/93/167076993.db2.gz GVEHYKBPQDDSAR-SECBINFHSA-N 0 0 221.304 2.037 10 0 BEAERN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1 ZINC000062186840 167081205 /nfs/dbraw/zinc/08/12/05/167081205.db2.gz IWLSAQPJAKUDHU-CHWSQXEVSA-N 0 0 248.370 2.120 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1cc(F)ccc1F ZINC000020304687 167081517 /nfs/dbraw/zinc/08/15/17/167081517.db2.gz KLMRBDKWVAHDCB-MRVPVSSYSA-N 0 0 242.269 2.290 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1c(F)cccc1F ZINC000020359489 167082874 /nfs/dbraw/zinc/08/28/74/167082874.db2.gz NUDLJTXQLRTWPM-MRVPVSSYSA-N 0 0 242.269 2.290 10 0 BEAERN CC(C)NC(=S)NC(=O)/C=C/c1ccccc1 ZINC000013982641 167093175 /nfs/dbraw/zinc/09/31/75/167093175.db2.gz CWPCDBBFCWJRGP-CMDGGOBGSA-N 0 0 248.351 2.099 10 0 BEAERN CC(C)NCc1noc(-c2ccsc2)n1 ZINC000051860982 167123637 /nfs/dbraw/zinc/12/36/37/167123637.db2.gz NFYZVDMTOTZZFP-UHFFFAOYSA-N 0 0 223.301 2.296 10 0 BEAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000037183189 167129223 /nfs/dbraw/zinc/12/92/23/167129223.db2.gz MBXFLKBGHRWIII-SNVBAGLBSA-N 0 0 229.226 2.089 10 0 BEAERN CC(C)N[C@@H](c1ccco1)c1nccn1C ZINC000037186245 167135418 /nfs/dbraw/zinc/13/54/18/167135418.db2.gz DQJFARSAYPGNAN-NSHDSACASA-N 0 0 219.288 2.101 10 0 BEAERN CC(C)[NH2+][C@H](CCc1ccccc1)C(=O)[O-] ZINC000034875678 167138501 /nfs/dbraw/zinc/13/85/01/167138501.db2.gz JVFZNQCNFRBQPP-GFCCVEGCSA-N 0 0 221.300 2.070 10 0 BEAERN CC(C)Nc1ccc(N)c(OC(C)C)n1 ZINC000037066673 167144763 /nfs/dbraw/zinc/14/47/63/167144763.db2.gz ZENXVCAQBGEFJG-UHFFFAOYSA-N 0 0 209.293 2.271 10 0 BEAERN CC(C)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000037101848 167145803 /nfs/dbraw/zinc/14/58/03/167145803.db2.gz ZAXLIOWWRBTVLG-UHFFFAOYSA-N 0 0 246.307 2.018 10 0 BEAERN CC(C)Nc1nc(Cl)nc(OC(C)C)n1 ZINC000002037850 167150401 /nfs/dbraw/zinc/15/04/01/167150401.db2.gz XRLNCOVRRBHXCH-UHFFFAOYSA-N 0 0 230.699 2.133 10 0 BEAERN CC(C)OC(=O)N1CCc2cc(N)ccc21 ZINC000044238635 167163762 /nfs/dbraw/zinc/16/37/62/167163762.db2.gz BWRXIIYJURXSAJ-UHFFFAOYSA-N 0 0 220.272 2.176 10 0 BEAERN CC(C)OC(=O)Nc1ccc(F)cc1N ZINC000044238614 167165886 /nfs/dbraw/zinc/16/58/86/167165886.db2.gz KGDFLGYUDHUFAQ-UHFFFAOYSA-N 0 0 212.224 2.365 10 0 BEAERN CC(C)OCC(=O)N1CCCC12CCCC2 ZINC000365554899 167181858 /nfs/dbraw/zinc/18/18/58/167181858.db2.gz DZAIQCRJPLJNMU-UHFFFAOYSA-N 0 0 225.332 2.347 10 0 BEAERN CC(C)OCCC(=O)Nc1cc(N)ccc1F ZINC000019274517 167202709 /nfs/dbraw/zinc/20/27/09/167202709.db2.gz YJPPQWFJHRCZFN-UHFFFAOYSA-N 0 0 240.278 2.162 10 0 BEAERN CC(C)OCc1nc(N)ccc1Cl ZINC000061640272 167270859 /nfs/dbraw/zinc/27/08/59/167270859.db2.gz KNSLCEYBNPDSMA-UHFFFAOYSA-N 0 0 200.669 2.242 10 0 BEAERN CC(C)Oc1cc(OC2CC2)cnc1C=O ZINC000095721026 167287652 /nfs/dbraw/zinc/28/76/52/167287652.db2.gz DRJGHLMKCWUICY-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1ncccc1NC[C@@H]1CCOC1 ZINC000042391932 167313643 /nfs/dbraw/zinc/31/36/43/167313643.db2.gz UNBAUOBMCXLZRZ-NSHDSACASA-N 0 0 236.315 2.317 10 0 BEAERN CC(C)Oc1nc(N[C@H]2C[C@@H]2C)ccc1N ZINC000052273934 167314526 /nfs/dbraw/zinc/31/45/26/167314526.db2.gz BEDMHOJCBDCQGU-WPRPVWTQSA-N 0 0 221.304 2.271 10 0 BEAERN CC(C)[C@@H](C)N(C)c1ccc(N)c2nonc21 ZINC000036787095 167371617 /nfs/dbraw/zinc/37/16/17/167371617.db2.gz NPMXDEGRRIPQRN-MRVPVSSYSA-N 0 0 234.303 2.286 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)[C@@H]1CCSC1 ZINC000121605056 167374919 /nfs/dbraw/zinc/37/49/19/167374919.db2.gz YTQMWAYICXVZIW-NXEZZACHSA-N 0 0 230.377 2.178 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(F)cn1 ZINC000181860291 167376338 /nfs/dbraw/zinc/37/63/38/167376338.db2.gz FGRPBPZSWPOUAL-MRVPVSSYSA-N 0 0 225.267 2.387 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc(N)c(F)c1 ZINC000054405370 167379053 /nfs/dbraw/zinc/37/90/53/167379053.db2.gz WWEIGOQLGSQPPN-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc(F)c(N)c1 ZINC000035279818 167379178 /nfs/dbraw/zinc/37/91/78/167379178.db2.gz INXAFFSSULKNRW-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cnn(C(C)C)c1 ZINC000188944811 167380202 /nfs/dbraw/zinc/38/02/02/167380202.db2.gz XQRXTXGTAIFEHB-SNVBAGLBSA-N 0 0 223.320 2.238 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020094944 167385252 /nfs/dbraw/zinc/38/52/52/167385252.db2.gz QIBVZIQDWSUBBW-MRVPVSSYSA-N 0 0 219.288 2.313 10 0 BEAERN CC(C)[C@@H](C)Nc1nccn(C2CC2)c1=O ZINC000061762562 167388160 /nfs/dbraw/zinc/38/81/60/167388160.db2.gz LSTUWFDCCAWITK-SECBINFHSA-N 0 0 221.304 2.035 10 0 BEAERN CC(C)[C@@H](C)NC1N=NC(=S)S1 ZINC000020581416 167388348 /nfs/dbraw/zinc/38/83/48/167388348.db2.gz TUKJYDZVGOHVGF-RXMQYKEDSA-N 0 0 203.336 2.283 10 0 BEAERN CC(C)[C@@H](O)C(F)(F)C(=O)c1ccco1 ZINC000039055754 167441885 /nfs/dbraw/zinc/44/18/85/167441885.db2.gz NOONVIFYAGPTLM-MRVPVSSYSA-N 0 0 218.199 2.115 10 0 BEAERN CN(C)c1ccccc1NCc1cncnc1 ZINC000054767655 487619690 /nfs/dbraw/zinc/61/96/90/487619690.db2.gz VBLLCJCWHRYUPF-UHFFFAOYSA-N 0 0 228.299 2.155 10 0 BEAERN CC(C)c1cc(N)n(-c2ccc(Cl)nn2)n1 ZINC000037291261 167571040 /nfs/dbraw/zinc/57/10/40/167571040.db2.gz SDFXAAIRZSVJIU-UHFFFAOYSA-N 0 0 237.694 2.021 10 0 BEAERN CC(C)c1ccc(C[C@@](C)(C[NH3+])C(=O)[O-])cc1 ZINC000011979567 167600668 /nfs/dbraw/zinc/60/06/68/167600668.db2.gz KBOHOEJPPQQYDR-AWEZNQCLSA-N 0 0 235.327 2.402 10 0 BEAERN O=c1ccc2ncc[nH]c-2c1Br ZINC000259590277 411143374 /nfs/dbraw/zinc/14/33/74/411143374.db2.gz ZLPIEAAEKRROCX-UHFFFAOYSA-N 0 0 225.045 2.098 10 0 BEAERN CC(C)c1nc(-c2cnn(C)c2)c(N)s1 ZINC000050308902 167657907 /nfs/dbraw/zinc/65/79/07/167657907.db2.gz IVNPRAGYQVYGJI-UHFFFAOYSA-N 0 0 222.317 2.249 10 0 BEAERN CCCCC[C@@H]1OC(C)(C)O[C@@H]1CO ZINC000197352456 411150270 /nfs/dbraw/zinc/15/02/70/411150270.db2.gz AUVYISJKWXXSCT-VHSXEESVSA-N 0 0 202.294 2.079 10 0 BEAERN FC(F)(F)c1cccc(N2CCCCN2)n1 ZINC000400209763 411151299 /nfs/dbraw/zinc/15/12/99/411151299.db2.gz OZFABKCWJUXFEN-UHFFFAOYSA-N 0 0 231.221 2.205 10 0 BEAERN CC(C)c1nc([C@@H](N)c2ccc(F)cc2)no1 ZINC000036763847 167670798 /nfs/dbraw/zinc/67/07/98/167670798.db2.gz SOWWIHNGMATCLZ-JTQLQIEISA-N 0 0 235.262 2.380 10 0 BEAERN CCOCCCC(=O)NCCC1CCCC1 ZINC000047079219 411104070 /nfs/dbraw/zinc/10/40/70/411104070.db2.gz HQRYWQMDYBMZOW-UHFFFAOYSA-N 0 0 227.348 2.500 10 0 BEAERN CCCn1nccc1NC(=O)NC1CCCC1 ZINC000043722997 411126129 /nfs/dbraw/zinc/12/61/29/411126129.db2.gz ROMMEJWHZVCLJX-UHFFFAOYSA-N 0 0 236.319 2.357 10 0 BEAERN CO[C@H](CNC(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000246214699 411203376 /nfs/dbraw/zinc/20/33/76/411203376.db2.gz OXEVODOFDJULNQ-WCFLWFBJSA-N 0 0 248.326 2.082 10 0 BEAERN CC(C)n1cnnc1CNc1ccccc1 ZINC000054498118 167782435 /nfs/dbraw/zinc/78/24/35/167782435.db2.gz HJCFTGMLHGRGLB-UHFFFAOYSA-N 0 0 216.288 2.471 10 0 BEAERN Cc1cccc(CNC(=O)c2cc(Cl)c[nH]2)n1 ZINC000048803616 411215980 /nfs/dbraw/zinc/21/59/80/411215980.db2.gz CWCUAYIOGTUFOE-UHFFFAOYSA-N 0 0 249.701 2.302 10 0 BEAERN Cc1cccc(CNC(=O)N[C@H](C)C(C)C)n1 ZINC000048856015 411217709 /nfs/dbraw/zinc/21/77/09/411217709.db2.gz PWJKDWWARIOHJO-LLVKDONJSA-N 0 0 235.331 2.234 10 0 BEAERN CC(C)n1nccc1NC(=O)c1ccccc1N ZINC000019388774 167798766 /nfs/dbraw/zinc/79/87/66/167798766.db2.gz GJSKIEBVZAYKBO-UHFFFAOYSA-N 0 0 244.298 2.299 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H]2C[C@H](O)C2(C)C)n1 ZINC000129142318 411232441 /nfs/dbraw/zinc/23/24/41/411232441.db2.gz NPOMNKDVZWIHDN-RYUDHWBXSA-N 0 0 249.358 2.480 10 0 BEAERN CCN(CC)c1nccc(Br)n1 ZINC000044117960 169806482 /nfs/dbraw/zinc/80/64/82/169806482.db2.gz MVADBHRRQIDDDY-UHFFFAOYSA-N 0 0 230.109 2.085 10 0 BEAERN CC1(C)CC2=C1[C@@H](C(F)(F)F)OC2=O ZINC000083235836 167888857 /nfs/dbraw/zinc/88/88/57/167888857.db2.gz UPUZXTBEBBGFHF-LURJTMIESA-N 0 0 206.163 2.201 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@H](O)C(C)C)n1 ZINC000125203400 411352554 /nfs/dbraw/zinc/35/25/54/411352554.db2.gz OLPHEYKTVLHZNP-LBPRGKRZSA-N 0 0 237.347 2.337 10 0 BEAERN Fc1cc(OCc2ccccc2)nc(F)n1 ZINC000575596251 411340820 /nfs/dbraw/zinc/34/08/20/411340820.db2.gz YGWDXAUHQVLKIL-UHFFFAOYSA-N 0 0 222.194 2.334 10 0 BEAERN C[C@H]1COC[C@@H]1c1nc(Br)ns1 ZINC000575597490 411342564 /nfs/dbraw/zinc/34/25/64/411342564.db2.gz JIEFJQUWNMZDRN-WHFBIAKZSA-N 0 0 249.133 2.051 10 0 BEAERN CC1(CNC(=O)c2ccc(N)cc2N)CCCC1 ZINC000104430760 168038112 /nfs/dbraw/zinc/03/81/12/168038112.db2.gz MRWIMUSCRZFFJP-UHFFFAOYSA-N 0 0 247.342 2.161 10 0 BEAERN CC1=C(c2ccc(O)cc2)C[C@H](C)C(=O)N1 ZINC000039438667 168087633 /nfs/dbraw/zinc/08/76/33/168087633.db2.gz UYSFVDNJWAXZJG-QMMMGPOBSA-N 0 0 217.268 2.279 10 0 BEAERN CC1=C(c2ccc(O)cc2)C[C@@H](C)C(=O)N1 ZINC000039438666 168088169 /nfs/dbraw/zinc/08/81/69/168088169.db2.gz UYSFVDNJWAXZJG-MRVPVSSYSA-N 0 0 217.268 2.279 10 0 BEAERN CC1=C(N)C[C@](C)(O)C(c2ccccc2)=C1 ZINC000039109417 168088335 /nfs/dbraw/zinc/08/83/35/168088335.db2.gz IMUHCLYSJKXLCV-AWEZNQCLSA-N 0 0 215.296 2.457 10 0 BEAERN CC1=C2C(Br)=NN=C2C=CC1 ZINC000095775365 168089183 /nfs/dbraw/zinc/08/91/83/168089183.db2.gz CVLJFWFTGOAXIH-UHFFFAOYSA-N 0 0 211.062 2.426 10 0 BEAERN CC1=CC(=O)N[C@H](c2ccccc2)S1 ZINC000196406451 168092937 /nfs/dbraw/zinc/09/29/37/168092937.db2.gz YCVXQLFOBWCTDT-NSHDSACASA-N 0 0 205.282 2.452 10 0 BEAERN CC1=CN2c3ccccc3S[C@H]2N1CO ZINC000100337833 168122219 /nfs/dbraw/zinc/12/22/19/168122219.db2.gz WQCCXAUEBSEFBC-LLVKDONJSA-N 0 0 220.297 2.009 10 0 BEAERN CC1=NC(=O)N[C@@](C)(c2ccccc2)C1 ZINC000040227571 168131585 /nfs/dbraw/zinc/13/15/85/168131585.db2.gz CGOWCIIVQJIVDZ-GFCCVEGCSA-N 0 0 202.257 2.118 10 0 BEAERN CC1=NC(C)(C)/C(=C\Br)O1 ZINC000039105343 168132821 /nfs/dbraw/zinc/13/28/21/168132821.db2.gz YDNPEFHQYLGLAA-GQCTYLIASA-N 0 0 204.067 2.450 10 0 BEAERN Cc1cc(=O)n(-c2cccc3cccnc32)[nH]1 ZINC000043224425 168135579 /nfs/dbraw/zinc/13/55/79/168135579.db2.gz ZXACKDKAZFBYKU-UHFFFAOYSA-N 0 0 225.251 2.347 10 0 BEAERN CC1CC(Nc2ncncc2Br)C1 ZINC000130157306 168148031 /nfs/dbraw/zinc/14/80/31/168148031.db2.gz XPISRQINBOJSAM-UHFFFAOYSA-N 0 0 242.120 2.450 10 0 BEAERN CC1CCC(C[NH2+][C@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000310388877 168156675 /nfs/dbraw/zinc/15/66/75/168156675.db2.gz ILHNYAGCUGWSHJ-TYUFSLCMSA-N 0 0 237.343 2.432 10 0 BEAERN CC1CCC(OCCC(N)=S)CC1 ZINC000019428536 168168060 /nfs/dbraw/zinc/16/80/60/168168060.db2.gz UGPXCVRUFKMPON-UHFFFAOYSA-N 0 0 201.335 2.258 10 0 BEAERN CC1CCN(C(=O)C(=O)c2ccc(F)cc2)CC1 ZINC000049836815 168170928 /nfs/dbraw/zinc/17/09/28/168170928.db2.gz PCCNBRUNJPEIQD-UHFFFAOYSA-N 0 0 249.285 2.267 10 0 BEAERN CC1CCN(C(=S)NC(=O)C(C)(C)C)CC1 ZINC000040866381 168177070 /nfs/dbraw/zinc/17/70/70/168177070.db2.gz DPMLWJQCQVOJRG-UHFFFAOYSA-N 0 0 242.388 2.166 10 0 BEAERN CCC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000130393136 168221648 /nfs/dbraw/zinc/22/16/48/168221648.db2.gz IVLJFNNDUXDRRV-ZDUSSCGKSA-N 0 0 249.310 2.005 10 0 BEAERN CCC(=O)NCCCc1cccc(F)c1 ZINC000013755768 168228857 /nfs/dbraw/zinc/22/88/57/168228857.db2.gz CMYLALQQJAZNJI-UHFFFAOYSA-N 0 0 209.264 2.285 10 0 BEAERN CCC(=O)NCC[C@@H]1CNc2ccccc21 ZINC000019436177 168229998 /nfs/dbraw/zinc/22/99/98/168229998.db2.gz FCEKSWLMLGEVLY-SNVBAGLBSA-N 0 0 218.300 2.112 10 0 BEAERN CCC(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 ZINC000012550101 168240567 /nfs/dbraw/zinc/24/05/67/168240567.db2.gz ZHEQJZSZZIHXBX-GFCCVEGCSA-N 0 0 243.310 2.220 10 0 BEAERN CCC(=O)c1c(C)nn(C[C@H]2CCCO2)c1C ZINC000054716327 168254017 /nfs/dbraw/zinc/25/40/17/168254017.db2.gz UKWVMUOXDWQRSH-LLVKDONJSA-N 0 0 236.315 2.272 10 0 BEAERN CCC(=O)c1ccc(OC(F)F)c(N)c1 ZINC000041228014 168255839 /nfs/dbraw/zinc/25/58/39/168255839.db2.gz UJHKHVMLBGXUAS-UHFFFAOYSA-N 0 0 215.199 2.463 10 0 BEAERN CCC(=O)c1ccccc1O[C@@H](C)C(=O)OC ZINC000047874107 168258497 /nfs/dbraw/zinc/25/84/97/168258497.db2.gz HMNLSAXWQHBIEO-VIFPVBQESA-N 0 0 236.267 2.220 10 0 BEAERN CCC(C)(C)C(=O)NCc1cscn1 ZINC000102608226 168266105 /nfs/dbraw/zinc/26/61/05/168266105.db2.gz JSETYLNFNSLQIG-UHFFFAOYSA-N 0 0 212.318 2.196 10 0 BEAERN CCC(C)(C)NC(=O)c1cc(F)ccc1N ZINC000036882793 168296700 /nfs/dbraw/zinc/29/67/00/168296700.db2.gz XGDWEIJWTIBXRC-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC(C)(C)NC(=S)Nc1ccc(N)nc1 ZINC000013600619 168297365 /nfs/dbraw/zinc/29/73/65/168297365.db2.gz YGAXHQXLTMOAJV-UHFFFAOYSA-N 0 0 238.360 2.139 10 0 BEAERN CCC(C)(C)NC(=O)c1cccc(N)c1C ZINC000022145199 168297611 /nfs/dbraw/zinc/29/76/11/168297611.db2.gz OQFHTKZVSVWQTC-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN CCC(C)(CC)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000121343223 168309012 /nfs/dbraw/zinc/30/90/12/168309012.db2.gz HCJVNGIQIGUSLC-MXWKQRLJSA-N 0 0 240.347 2.184 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1ccc(N)nc1 ZINC000125917039 411407898 /nfs/dbraw/zinc/40/78/98/411407898.db2.gz XWMCEHNDCZCZIX-GFCCVEGCSA-N 0 0 247.342 2.459 10 0 BEAERN CC(C)(C)N1CCO[C@H](c2cccnc2)C1 ZINC000616648100 411411994 /nfs/dbraw/zinc/41/19/94/411411994.db2.gz PHVZPJNRBQWGRU-LBPRGKRZSA-N 0 0 220.316 2.253 10 0 BEAERN CC[C@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000305933271 411428410 /nfs/dbraw/zinc/42/84/10/411428410.db2.gz KGAVQKOKVPFFPX-NSHDSACASA-N 0 0 248.326 2.402 10 0 BEAERN C[C@@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])[C@H]1C ZINC000305993301 411430366 /nfs/dbraw/zinc/43/03/66/411430366.db2.gz TZVCCMCPPFOTGN-MNOVXSKESA-N 0 0 248.326 2.400 10 0 BEAERN Cc1cc(C(C)C)nc(NCc2cnn(C)c2)n1 ZINC000122396318 411432156 /nfs/dbraw/zinc/43/21/56/411432156.db2.gz ZMZCBVFPPUCZAW-UHFFFAOYSA-N 0 0 245.330 2.254 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@@H]2CCC[C@H]2O)n1 ZINC000122482866 411432541 /nfs/dbraw/zinc/43/25/41/411432541.db2.gz PSVMXLALIIYUJS-WCQYABFASA-N 0 0 249.358 2.481 10 0 BEAERN Cc1cc(C(C)C)nc(NCC[C@H](C)O)n1 ZINC000122473861 411432768 /nfs/dbraw/zinc/43/27/68/411432768.db2.gz CIVQQNFTVMLKJK-JTQLQIEISA-N 0 0 223.320 2.091 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H]2CCO[C@@H]2C)n1 ZINC000122505579 411433945 /nfs/dbraw/zinc/43/39/45/411433945.db2.gz AMSXZPOTGBNRSS-MNOVXSKESA-N 0 0 235.331 2.498 10 0 BEAERN Cc1cc(C(C)C)nc(NCC2(CO)CC2)n1 ZINC000122503115 411434306 /nfs/dbraw/zinc/43/43/06/411434306.db2.gz DJBMUERQZGWRHW-UHFFFAOYSA-N 0 0 235.331 2.093 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H](C)CCCO)n1 ZINC000122494507 411434454 /nfs/dbraw/zinc/43/44/54/411434454.db2.gz CTLGVUXWHSCGIT-JTQLQIEISA-N 0 0 237.347 2.481 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H]2CCO[C@H]2C)n1 ZINC000122505772 411434520 /nfs/dbraw/zinc/43/45/20/411434520.db2.gz AMSXZPOTGBNRSS-WDEREUQCSA-N 0 0 235.331 2.498 10 0 BEAERN Cc1cc(C(C)C)nc(N2CCC[C@@H](CO)C2)n1 ZINC000122624381 411435261 /nfs/dbraw/zinc/43/52/61/411435261.db2.gz OOKPAEFQWKTWTH-GFCCVEGCSA-N 0 0 249.358 2.117 10 0 BEAERN CCN(Cc1nnc(N)s1)c1cccc(C)c1 ZINC000036239377 169938453 /nfs/dbraw/zinc/93/84/53/169938453.db2.gz OAALJQMSUHZWEV-UHFFFAOYSA-N 0 0 248.355 2.455 10 0 BEAERN CCN(c1ccc(N)c(OC)n1)C1CCCC1 ZINC000035765302 169942007 /nfs/dbraw/zinc/94/20/07/169942007.db2.gz QSOOLKUUQMBVNE-UHFFFAOYSA-N 0 0 235.331 2.441 10 0 BEAERN O[C@@H]1CCc2cc(OC(F)F)ccc21 ZINC000232419725 411499261 /nfs/dbraw/zinc/49/92/61/411499261.db2.gz VNMQPUGMUNKMHC-SECBINFHSA-N 0 0 200.184 2.268 10 0 BEAERN CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H](C)O1 ZINC000659920938 411499217 /nfs/dbraw/zinc/49/92/17/411499217.db2.gz XYJDAOLZEGLXAA-REWJHTLYSA-N 0 0 241.375 2.037 10 0 BEAERN CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@H](C)O1 ZINC000659920943 411499527 /nfs/dbraw/zinc/49/95/27/411499527.db2.gz XYJDAOLZEGLXAA-YIYPIFLZSA-N 0 0 241.375 2.037 10 0 BEAERN CC[C@H](CCO)CNC(=O)N[C@H](C)C(C)(C)C ZINC000127667699 411501167 /nfs/dbraw/zinc/50/11/67/411501167.db2.gz UNHSAAOTVGPLQG-GHMZBOCLSA-N 0 0 244.379 2.129 10 0 BEAERN CC[C@@H](CCO)CNC(=O)N[C@H](C)C(C)(C)C ZINC000127667439 411501179 /nfs/dbraw/zinc/50/11/79/411501179.db2.gz UNHSAAOTVGPLQG-MNOVXSKESA-N 0 0 244.379 2.129 10 0 BEAERN CC[C@@H]1C[C@H](N[C@H](C)c2ncc(C)o2)CO1 ZINC000657458970 411517576 /nfs/dbraw/zinc/51/75/76/411517576.db2.gz SJKQGAUGSDJOLO-OUAUKWLOSA-N 0 0 224.304 2.201 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nc(C)c(C)[nH]2)o1 ZINC000657458919 411517747 /nfs/dbraw/zinc/51/77/47/411517747.db2.gz RBDWDBKMAOPHDG-SNVBAGLBSA-N 0 0 234.303 2.174 10 0 BEAERN CCN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119019207 170004472 /nfs/dbraw/zinc/00/44/72/170004472.db2.gz ASAODNAKNBJYTH-CYBMUJFWSA-N 0 0 221.300 2.088 10 0 BEAERN CCN1C[C@H](c2ccc(Cl)cc2)OCC1=O ZINC000090459201 170040682 /nfs/dbraw/zinc/04/06/82/170040682.db2.gz TWBPDXSEOFECPP-LLVKDONJSA-N 0 0 239.702 2.260 10 0 BEAERN CCNC(=O)N1CCc2sccc2[C@H]1C ZINC000049070517 170075326 /nfs/dbraw/zinc/07/53/26/170075326.db2.gz SRLLBCYCWCGKHS-MRVPVSSYSA-N 0 0 224.329 2.397 10 0 BEAERN CCNC(=O)Nc1ccc(Cl)c(N)c1 ZINC000034978059 170084353 /nfs/dbraw/zinc/08/43/53/170084353.db2.gz RWTLMXDWHNFDAQ-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN CCNC(=O)Nc1cc(C)c(C)cc1N ZINC000050439596 170084366 /nfs/dbraw/zinc/08/43/66/170084366.db2.gz LVLWIFJJSKCVLV-UHFFFAOYSA-N 0 0 207.277 2.027 10 0 BEAERN CCNC(=O)Nc1ccc(Cl)cc1N ZINC000036949190 170084504 /nfs/dbraw/zinc/08/45/04/170084504.db2.gz UESWWFKBTHBVIK-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020308646 170089091 /nfs/dbraw/zinc/08/90/91/170089091.db2.gz XSNYWGLCPYRELP-SSDOTTSWSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@@H](C)Oc1c(C)cc(C=O)cc1C ZINC000020424403 170089687 /nfs/dbraw/zinc/08/96/87/170089687.db2.gz WJDBRRXRQYMLRW-LLVKDONJSA-N 0 0 249.310 2.019 10 0 BEAERN CCNC(=O)c1c(N)scc1C(C)C ZINC000104278207 170100013 /nfs/dbraw/zinc/10/00/13/170100013.db2.gz XTBHKSMCZTYFQX-UHFFFAOYSA-N 0 0 212.318 2.203 10 0 BEAERN CCNC(=O)c1cc2cc(F)ccc2nc1C ZINC000000539198 170101155 /nfs/dbraw/zinc/10/11/55/170101155.db2.gz BTVHLAPPAVXINA-UHFFFAOYSA-N 0 0 232.258 2.432 10 0 BEAERN CCNC(=O)c1ccc(N)c(O[C@@H](C)CC)c1 ZINC000103962052 170101880 /nfs/dbraw/zinc/10/18/80/170101880.db2.gz MYLYEKFFPIKRTF-VIFPVBQESA-N 0 0 236.315 2.196 10 0 BEAERN CC[NH2+]C1(C(=O)[O-])CCC(C(C)C)CC1 ZINC000054557357 170108401 /nfs/dbraw/zinc/10/84/01/170108401.db2.gz TVWJHMVOMXTKIO-UHFFFAOYSA-N 0 0 213.321 2.266 10 0 BEAERN CC[NH2+][C@@H](CCO[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062543810 170144670 /nfs/dbraw/zinc/14/46/70/170144670.db2.gz USBDLVKZRGZRLJ-SDDRHHMPSA-N 0 0 243.347 2.035 10 0 BEAERN CC[NH2+][C@@H]1c2cc(C)cc(OC)c2O[C@@H]1C ZINC000043633318 170155066 /nfs/dbraw/zinc/15/50/66/170155066.db2.gz DDVMHIOJKIOQAZ-SKDRFNHKSA-N 0 0 221.300 2.435 10 0 BEAERN CC[NH2+][C@@H]1c2cc(C)cc(OC)c2O[C@H]1C ZINC000043633320 170155370 /nfs/dbraw/zinc/15/53/70/170155370.db2.gz DDVMHIOJKIOQAZ-CABZTGNLSA-N 0 0 221.300 2.435 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1cc(C)sc1C ZINC000049687647 170155783 /nfs/dbraw/zinc/15/57/83/170155783.db2.gz GBXOYSNKIHZWJM-VIFPVBQESA-N 0 0 213.302 2.100 10 0 BEAERN CC[NH2+][C@H](CCO[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062543811 170162659 /nfs/dbraw/zinc/16/26/59/170162659.db2.gz USBDLVKZRGZRLJ-QJPTWQEYSA-N 0 0 243.347 2.035 10 0 BEAERN CCN[C@@H](c1nccn1C)c1occc1C ZINC000041048664 170164702 /nfs/dbraw/zinc/16/47/02/170164702.db2.gz OCKXLZKDROHUBJ-SNVBAGLBSA-N 0 0 219.288 2.020 10 0 BEAERN CC[NH2+][C@](C)(COCC1CCCCC1)C(=O)[O-] ZINC000052157370 170170139 /nfs/dbraw/zinc/17/01/39/170170139.db2.gz UFAFAPTVCSPVNC-CYBMUJFWSA-N 0 0 243.347 2.036 10 0 BEAERN CCNc1cc(C(C)(C)C)nc(N(C)C)n1 ZINC000050850679 170171053 /nfs/dbraw/zinc/17/10/53/170171053.db2.gz AHRMEYREDHSZFD-UHFFFAOYSA-N 0 0 222.336 2.272 10 0 BEAERN CCNc1ccc(-c2ccc(C)o2)nn1 ZINC000050868103 170173090 /nfs/dbraw/zinc/17/30/90/170173090.db2.gz JGEQFWJPIDPYRE-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1ccc(CN2CCOC[C@@H]2CC)cn1 ZINC000050814187 170173379 /nfs/dbraw/zinc/17/33/79/170173379.db2.gz PTPVEXGQYOQUTD-ZDUSSCGKSA-N 0 0 249.358 2.124 10 0 BEAERN CCNc1ccc(C(N)=O)cc1C(F)(F)F ZINC000050744523 170173558 /nfs/dbraw/zinc/17/35/58/170173558.db2.gz FUSVXOYCGOQYHM-UHFFFAOYSA-N 0 0 232.205 2.236 10 0 BEAERN CCNc1ccc(CN2CCOC[C@H]2CC)cn1 ZINC000050814186 170173927 /nfs/dbraw/zinc/17/39/27/170173927.db2.gz PTPVEXGQYOQUTD-CYBMUJFWSA-N 0 0 249.358 2.124 10 0 BEAERN CCNc1ccc(Cn2c(C)csc2=O)cn1 ZINC000050829464 170174393 /nfs/dbraw/zinc/17/43/93/170174393.db2.gz RDOMFPIXLCGMAO-UHFFFAOYSA-N 0 0 249.339 2.093 10 0 BEAERN CCNc1nc(-c2cccc(F)c2)no1 ZINC000053750318 170175383 /nfs/dbraw/zinc/17/53/83/170175383.db2.gz LOBDRSVLJHVNHO-UHFFFAOYSA-N 0 0 207.208 2.308 10 0 BEAERN CCNc1nc(-c2cccc(C)c2)no1 ZINC000053750299 170175690 /nfs/dbraw/zinc/17/56/90/170175690.db2.gz XOOFZZHKRDJHHN-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1nc2n[nH]cc2c(=S)s1 ZINC000034408974 170177224 /nfs/dbraw/zinc/17/72/24/170177224.db2.gz UBZNGSQPJUTNAU-UHFFFAOYSA-N 0 0 212.303 2.181 10 0 BEAERN CCNc1ncccc1C(=O)Nc1nccs1 ZINC000050724482 170178171 /nfs/dbraw/zinc/17/81/71/170178171.db2.gz QDYBIJGGHDZMEP-UHFFFAOYSA-N 0 0 248.311 2.222 10 0 BEAERN CCNc1ncnc(OC2CCCCC2)c1N ZINC000040707570 170178591 /nfs/dbraw/zinc/17/85/91/170178591.db2.gz SRSYFZXQDZBAPW-UHFFFAOYSA-N 0 0 236.319 2.202 10 0 BEAERN CCOC(=N)[C@@](C)(O)c1cccc(C)c1 ZINC000039105568 170180161 /nfs/dbraw/zinc/18/01/61/170180161.db2.gz MFZHJJXRKOWQTR-LBPRGKRZSA-N 0 0 207.273 2.216 10 0 BEAERN CCOC(=O)C(=O)c1ccc(OC)c(Cl)c1 ZINC000041287245 170185077 /nfs/dbraw/zinc/18/50/77/170185077.db2.gz OFUJKFUAIUUHKO-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN CCOC(=O)C(C)(C)NCC1CCCCC1 ZINC000102826617 170187480 /nfs/dbraw/zinc/18/74/80/170187480.db2.gz JBNRZOZLXDAVLC-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN CCOC(=O)C(F)(F)[C@@H](F)C(F)(F)F ZINC000080440433 170188379 /nfs/dbraw/zinc/18/83/79/170188379.db2.gz NRYRDKRQQXUDBX-GSVOUGTGSA-N 0 0 224.100 2.085 10 0 BEAERN CCOC(=O)C(CC)(CC)NCC(F)(F)F ZINC000037973782 170188080 /nfs/dbraw/zinc/18/80/80/170188080.db2.gz MHAOKJYUKXWXMM-UHFFFAOYSA-N 0 0 241.253 2.260 10 0 BEAERN CCOC(=O)C(F)(F)C(=O)c1ccccc1F ZINC000062774988 170188131 /nfs/dbraw/zinc/18/81/31/170188131.db2.gz IAGKKOPFFLHZRS-UHFFFAOYSA-N 0 0 246.184 2.207 10 0 BEAERN CCOC(=O)C(C)(C)c1nc([C@@H](C)CC)no1 ZINC000093247747 170188205 /nfs/dbraw/zinc/18/82/05/170188205.db2.gz KHDNVACBZGCXMM-QMMMGPOBSA-N 0 0 240.303 2.424 10 0 BEAERN CCOC(=O)CC(=O)C1CCC(F)(F)CC1 ZINC000090410951 170193412 /nfs/dbraw/zinc/19/34/12/170193412.db2.gz SGAXUXIMWAGQES-UHFFFAOYSA-N 0 0 234.242 2.334 10 0 BEAERN CCOC(=O)CCNc1cccc(COC)c1 ZINC000049507933 170209978 /nfs/dbraw/zinc/20/99/78/170209978.db2.gz DEYZYMULSIDOJP-UHFFFAOYSA-N 0 0 237.299 2.198 10 0 BEAERN CCOC(=O)CCOc1cc(Cl)ccn1 ZINC000091369107 170211234 /nfs/dbraw/zinc/21/12/34/170211234.db2.gz KMIBSGPDMJHVMB-UHFFFAOYSA-N 0 0 229.663 2.067 10 0 BEAERN CCOC(=O)CN(C)C(=O)C[C@H](C)C(C)(C)C ZINC000104441116 170213496 /nfs/dbraw/zinc/21/34/96/170213496.db2.gz JAKIYSLAFCITMD-JTQLQIEISA-N 0 0 243.347 2.080 10 0 BEAERN CCOC(=O)CNCc1cccc(F)c1Cl ZINC000083374588 170225172 /nfs/dbraw/zinc/22/51/72/170225172.db2.gz QFEODIVPWDUYOA-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CNc1cc(F)cc(F)c1F ZINC000061095426 170227138 /nfs/dbraw/zinc/22/71/38/170227138.db2.gz FAJYNQSAUFGYSV-UHFFFAOYSA-N 0 0 233.189 2.079 10 0 BEAERN CCOC(=O)COc1ccccc1[C@H](O)CC ZINC000035625902 170229367 /nfs/dbraw/zinc/22/93/67/170229367.db2.gz HKTCSZKAEBWJMY-LLVKDONJSA-N 0 0 238.283 2.072 10 0 BEAERN CCOC(=O)CSc1ccsc1 ZINC000039395159 170229805 /nfs/dbraw/zinc/22/98/05/170229805.db2.gz YAFZNNFLDOMMOF-UHFFFAOYSA-N 0 0 202.300 2.403 10 0 BEAERN CCOC(=O)C[C@@H](NC(C)=O)c1ccccc1C ZINC000173819052 170231318 /nfs/dbraw/zinc/23/13/18/170231318.db2.gz MEXFVOJEXBMLBL-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN CCOC(=O)C[C@@](C)(O)c1ccc(C)cc1 ZINC000052248539 170232622 /nfs/dbraw/zinc/23/26/22/170232622.db2.gz PCSRSHHGCMNTBJ-CYBMUJFWSA-N 0 0 222.284 2.156 10 0 BEAERN CCOC(=O)C[C@H](C)Oc1ccccc1 ZINC000034426459 170232820 /nfs/dbraw/zinc/23/28/20/170232820.db2.gz CCVXQLMYBWRMLJ-JTQLQIEISA-N 0 0 208.257 2.407 10 0 BEAERN CCOC(=O)C[C@](C)(O)c1ccccc1C ZINC000052248555 170234118 /nfs/dbraw/zinc/23/41/18/170234118.db2.gz KTFCBNAZSPTEFK-ZDUSSCGKSA-N 0 0 222.284 2.156 10 0 BEAERN CCOC(=O)Cc1c(C)cncc1Cl ZINC000095763971 170234285 /nfs/dbraw/zinc/23/42/85/170234285.db2.gz RHWYOQHZZLLUIX-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000042207892 170235032 /nfs/dbraw/zinc/23/50/32/170235032.db2.gz WMCQSTATNFDLAY-UHFFFAOYSA-N 0 0 238.331 2.262 10 0 BEAERN CCOC(=O)Cc1cnc(C)c(Cl)c1 ZINC000095763967 170235791 /nfs/dbraw/zinc/23/57/91/170235791.db2.gz JZEYNLRZOXWMBW-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1ccnc(C)c1Cl ZINC000095763966 170236353 /nfs/dbraw/zinc/23/63/53/170236353.db2.gz YAGGMIZFJBFNDS-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1ncc(Cl)cc1C ZINC000095763978 170236674 /nfs/dbraw/zinc/23/66/74/170236674.db2.gz SZUJUQWCPSOLFR-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)NC1(c2ccccc2)CC1 ZINC000041569575 170241111 /nfs/dbraw/zinc/24/11/11/170241111.db2.gz CZVIUPUYXKQZES-UHFFFAOYSA-N 0 0 205.257 2.422 10 0 BEAERN CCOC(=O)Nc1c(N)cccc1Cl ZINC000050352876 170242979 /nfs/dbraw/zinc/24/29/79/170242979.db2.gz HSQOVIFORMWHQM-UHFFFAOYSA-N 0 0 214.652 2.491 10 0 BEAERN CCOC(=O)N=c1[nH]cc(CC)s1 ZINC000039123766 170243864 /nfs/dbraw/zinc/24/38/64/170243864.db2.gz KZYQBTKFKHHCTC-UHFFFAOYSA-N 0 0 200.263 2.274 10 0 BEAERN CCOC(=O)Nc1cc(N)c(F)cc1F ZINC000036744321 170243934 /nfs/dbraw/zinc/24/39/34/170243934.db2.gz KIPTYAWZEZHRPW-UHFFFAOYSA-N 0 0 216.187 2.115 10 0 BEAERN CCOC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000005953265 170243995 /nfs/dbraw/zinc/24/39/95/170243995.db2.gz NFVCLSROJROZEQ-UHFFFAOYSA-N 0 0 237.255 2.432 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)c2cc(F)ccc21 ZINC000034558017 170256992 /nfs/dbraw/zinc/25/69/92/170256992.db2.gz FPTZEUBAJMEUFN-SNVBAGLBSA-N 0 0 236.242 2.449 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1ccc(F)c(Cl)c1 ZINC000037459974 170261017 /nfs/dbraw/zinc/26/10/17/170261017.db2.gz TUASHJKEZMZDQX-NSHDSACASA-N 0 0 245.681 2.216 10 0 BEAERN CCOC(=O)[C@@]1(NC)CCCc2ccccc21 ZINC000037458782 170263079 /nfs/dbraw/zinc/26/30/79/170263079.db2.gz IOUFFBUHWRYZST-CQSZACIVSA-N 0 0 233.311 2.001 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000034066784 170268827 /nfs/dbraw/zinc/26/88/27/170268827.db2.gz QSYFKNULUJGLOG-GXFFZTMASA-N 0 0 233.311 2.215 10 0 BEAERN CCOC(=O)[C@H](O)Cc1c(C)cc(C)cc1C ZINC000076164947 170277089 /nfs/dbraw/zinc/27/70/89/170277089.db2.gz KBNPSRAQAUGGDY-CYBMUJFWSA-N 0 0 236.311 2.078 10 0 BEAERN CCOC(=O)[C@H](O)Cc1ccc(C(C)C)cc1 ZINC000076165513 170277655 /nfs/dbraw/zinc/27/76/55/170277655.db2.gz KMNHPJNRMASMJM-CYBMUJFWSA-N 0 0 236.311 2.277 10 0 BEAERN CCOC(=O)[C@H]1CCc2sc(C)nc2C1 ZINC000033606717 170282161 /nfs/dbraw/zinc/28/21/61/170282161.db2.gz KLYDWMHKPCZUCD-QMMMGPOBSA-N 0 0 225.313 2.120 10 0 BEAERN CCOC(=O)[C@H]1c2ccccc2N[C@H]1C ZINC000001436110 170282829 /nfs/dbraw/zinc/28/28/29/170282829.db2.gz WNRHFBOGHGIVPX-GZMMTYOYSA-N 0 0 205.257 2.147 10 0 BEAERN CCOC(=O)[C@](C)(N)c1ccc(C)cc1C ZINC000037459859 170283968 /nfs/dbraw/zinc/28/39/68/170283968.db2.gz KHXUGPJJENRXCJ-CYBMUJFWSA-N 0 0 221.300 2.040 10 0 BEAERN CCOC(=O)c1[nH]c2ccccc2c1OC ZINC000039236671 170286759 /nfs/dbraw/zinc/28/67/59/170286759.db2.gz LCKYFAUEWRLQPD-UHFFFAOYSA-N 0 0 219.240 2.353 10 0 BEAERN CCOC(=O)c1c(C)cnn1Cc1ccccc1 ZINC000035572397 170287491 /nfs/dbraw/zinc/28/74/91/170287491.db2.gz VNYGLELRFTWSMG-UHFFFAOYSA-N 0 0 244.294 2.417 10 0 BEAERN CCOC(=O)c1c(C)cc(C(F)(F)F)[nH]c1=O ZINC000034213617 170287669 /nfs/dbraw/zinc/28/76/69/170287669.db2.gz UIGDRIATKCVYNJ-UHFFFAOYSA-N 0 0 249.188 2.291 10 0 BEAERN CCOC(=O)c1cc2nc(C)[nH]c2c(C)c1 ZINC000045809161 170291848 /nfs/dbraw/zinc/29/18/48/170291848.db2.gz BUOWGBBHRADRBZ-UHFFFAOYSA-N 0 0 218.256 2.356 10 0 BEAERN CCOC(=O)c1cc(NCC2CC2)ccc1N ZINC000041079967 170292888 /nfs/dbraw/zinc/29/28/88/170292888.db2.gz ZYACZIWJTSWUSY-UHFFFAOYSA-N 0 0 234.299 2.267 10 0 BEAERN CCOC(=O)c1cc2cc3c(cc2[nH]1)OCO3 ZINC000037625173 170293869 /nfs/dbraw/zinc/29/38/69/170293869.db2.gz HQROUPSKLADEET-UHFFFAOYSA-N 0 0 233.223 2.073 10 0 BEAERN CCOC(=O)c1ccc(Br)nc1C ZINC000088190216 170294707 /nfs/dbraw/zinc/29/47/07/170294707.db2.gz LKSLXVLEXKSTEI-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN CCOC(=O)c1cc2sc(C)nc2[nH]1 ZINC000238293134 170294905 /nfs/dbraw/zinc/29/49/05/170294905.db2.gz MJQCWOCELFATLF-UHFFFAOYSA-N 0 0 210.258 2.110 10 0 BEAERN CCOC(=O)c1ccc(N[C@@H]2C[C@@H]2C)nc1 ZINC000052291667 170297275 /nfs/dbraw/zinc/29/72/75/170297275.db2.gz OTRRLDNNKVTLLR-WCBMZHEXSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1cccc(-c2ccccn2)n1 ZINC000259482982 170298402 /nfs/dbraw/zinc/29/84/02/170298402.db2.gz CDTJESXHYNZGLI-UHFFFAOYSA-N 0 0 228.251 2.320 10 0 BEAERN CCOC(=O)c1cccc(N)c1Br ZINC000095932441 170298733 /nfs/dbraw/zinc/29/87/33/170298733.db2.gz SBVNOYKPRRRFKG-UHFFFAOYSA-N 0 0 244.088 2.208 10 0 BEAERN CCOC(=O)c1ccccc1NCc1ncc[nH]1 ZINC000049714816 170300340 /nfs/dbraw/zinc/30/03/40/170300340.db2.gz GOJCGFZYHSMYQK-UHFFFAOYSA-N 0 0 245.282 2.199 10 0 BEAERN CCOC(=O)c1cnc(C2CCCC2)nc1 ZINC000095803866 170301403 /nfs/dbraw/zinc/30/14/03/170301403.db2.gz QJOKKOQQNKEXNW-UHFFFAOYSA-N 0 0 220.272 2.311 10 0 BEAERN CCOC(=O)c1cnc2oncc2c1Cl ZINC000035269760 170302338 /nfs/dbraw/zinc/30/23/38/170302338.db2.gz GNUURPKIHWWNOV-UHFFFAOYSA-N 0 0 226.619 2.053 10 0 BEAERN CCOC(=O)c1nc(-c2ccc(N)cc2)[nH]c1C ZINC000045902148 170306113 /nfs/dbraw/zinc/30/61/13/170306113.db2.gz DKBXOSRKKRKHMP-UHFFFAOYSA-N 0 0 245.282 2.144 10 0 BEAERN CCOC(=O)c1nc(N)sc1C(C)C ZINC000075624284 170306539 /nfs/dbraw/zinc/30/65/39/170306539.db2.gz UONWSWFRDMODNB-UHFFFAOYSA-N 0 0 214.290 2.025 10 0 BEAERN CCOC(=O)c1nc(C)c(C)c2c1CCC2 ZINC000026897114 170306593 /nfs/dbraw/zinc/30/65/93/170306593.db2.gz VXZQRMCEAGIRFD-UHFFFAOYSA-N 0 0 219.284 2.364 10 0 BEAERN CCOC(=O)c1nc(C)oc1C(F)(F)F ZINC000001613118 170306673 /nfs/dbraw/zinc/30/66/73/170306673.db2.gz LZPNPKUTEBIRPQ-UHFFFAOYSA-N 0 0 223.150 2.179 10 0 BEAERN CCOC(=O)c1ncc(F)cc1Cl ZINC000047203098 170308091 /nfs/dbraw/zinc/30/80/91/170308091.db2.gz HIERLPLRMXJAEM-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1oc2c(c1C)[C@H](O)CCC2 ZINC000026438426 170309488 /nfs/dbraw/zinc/30/94/88/170309488.db2.gz AVIAAIRRUOSWQT-MRVPVSSYSA-N 0 0 224.256 2.134 10 0 BEAERN CCOC(OCC)=C(OCC)OCC ZINC000032181919 170316036 /nfs/dbraw/zinc/31/60/36/170316036.db2.gz WQNVSQDMXNPYNW-UHFFFAOYSA-N 0 0 204.266 2.259 10 0 BEAERN CCOCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438256 170340759 /nfs/dbraw/zinc/34/07/59/170340759.db2.gz VCUMQBBBDYFMQX-AWEZNQCLSA-N 0 0 237.343 2.372 10 0 BEAERN CCOCC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103055227 170347421 /nfs/dbraw/zinc/34/74/21/170347421.db2.gz WWVIBHOCDJVEIJ-NEPJUHHUSA-N 0 0 227.348 2.354 10 0 BEAERN CCOCCCC(=O)Nc1ccc(N)cc1C ZINC000019261509 170366339 /nfs/dbraw/zinc/36/63/39/170366339.db2.gz GEUPIBCMQZMTQR-UHFFFAOYSA-N 0 0 236.315 2.332 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CCCOC1 ZINC000663409641 411650429 /nfs/dbraw/zinc/65/04/29/411650429.db2.gz KSHKGWSWYFANPM-NSHDSACASA-N 0 0 235.331 2.268 10 0 BEAERN CCO[C@H]1OC(=O)[C@H]2[C@H](CC[C@@H]2C)[C@@H]1C ZINC000144222749 170512582 /nfs/dbraw/zinc/51/25/82/170512582.db2.gz SQKOYPMIMBRHSW-YOQJGNTNSA-N 0 0 212.289 2.204 10 0 BEAERN CCO[P@@]1(=O)O[C@H](C)C=C1C(C)(C)O ZINC000039098845 170512889 /nfs/dbraw/zinc/51/28/89/170512889.db2.gz BQOCJOCEXADCNG-NXSYQRQQSA-N 0 0 220.205 2.290 10 0 BEAERN CCCc1nccnc1NCc1cc(C)no1 ZINC000663434599 411657730 /nfs/dbraw/zinc/65/77/30/411657730.db2.gz MGDDWQQMNRCVPE-UHFFFAOYSA-N 0 0 232.287 2.338 10 0 BEAERN CCOc1cc(C(=O)Nc2cc[nH]n2)ccc1C ZINC000113158436 170517464 /nfs/dbraw/zinc/51/74/64/170517464.db2.gz HKCHMARHNHYEFY-UHFFFAOYSA-N 0 0 245.282 2.369 10 0 BEAERN CCOc1cc(N[C@H]2CCCOC2)ccc1N ZINC000104238644 170527658 /nfs/dbraw/zinc/52/76/58/170527658.db2.gz ZLFXSEGYCVPKOO-NSHDSACASA-N 0 0 236.315 2.258 10 0 BEAERN CCCc1nccnc1NCC1CCOCC1 ZINC000663487745 411669144 /nfs/dbraw/zinc/66/91/44/411669144.db2.gz JBWUFGGTWSCPJI-UHFFFAOYSA-N 0 0 235.331 2.268 10 0 BEAERN CCOc1ccc(-n2ncc(CO)c2C)cc1 ZINC000098168910 170534412 /nfs/dbraw/zinc/53/44/12/170534412.db2.gz AXHQTKPWBWOEMM-UHFFFAOYSA-N 0 0 232.283 2.072 10 0 BEAERN CCOc1ccc(CC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075528753 170541617 /nfs/dbraw/zinc/54/16/17/170541617.db2.gz UUFMKSYBAXYPMA-MFKMUULPSA-N 0 0 233.311 2.152 10 0 BEAERN CCOc1ccc(NN)c(Br)c1 ZINC000082297439 170552694 /nfs/dbraw/zinc/55/26/94/170552694.db2.gz FRRLWEVJJLFACJ-UHFFFAOYSA-N 0 0 231.093 2.133 10 0 BEAERN CCCc1nccnc1NCC[C@H](C)OC ZINC000663525890 411698345 /nfs/dbraw/zinc/69/83/45/411698345.db2.gz MTRFJOGZWVXAMO-JTQLQIEISA-N 0 0 223.320 2.266 10 0 BEAERN CCOc1cccc(-c2nccc(N)n2)c1 ZINC000050847067 170571688 /nfs/dbraw/zinc/57/16/88/170571688.db2.gz VBTONWRPWFDVIG-UHFFFAOYSA-N 0 0 215.256 2.125 10 0 BEAERN CCCc1nccnc1N1CCC(O)(CC)CC1 ZINC000663672028 411718690 /nfs/dbraw/zinc/71/86/90/411718690.db2.gz IWHPRPBTMPQTIM-UHFFFAOYSA-N 0 0 249.358 2.170 10 0 BEAERN CCCc1nccnc1NCC[C@@H](O)CC ZINC000663719279 411731831 /nfs/dbraw/zinc/73/18/31/411731831.db2.gz KBQADBBETKFWSP-JTQLQIEISA-N 0 0 223.320 2.002 10 0 BEAERN CCCc1nccnc1N1CCC[C@H]([C@@H](C)O)C1 ZINC000663733554 411734927 /nfs/dbraw/zinc/73/49/27/411734927.db2.gz DXCYIKVDEJTSPL-NEPJUHHUSA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1N[C@H]1CC[C@H](O)CC1 ZINC000663740651 411735728 /nfs/dbraw/zinc/73/57/28/411735728.db2.gz HHEBCFSNAXXNNA-XYPYZODXSA-N 0 0 235.331 2.145 10 0 BEAERN CCOc1cccc2c1NCCCC2=O ZINC000082379677 170586972 /nfs/dbraw/zinc/58/69/72/170586972.db2.gz LJHPRSWKQLOVRZ-UHFFFAOYSA-N 0 0 205.257 2.474 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCO[C@@H]1C ZINC000663756581 411740389 /nfs/dbraw/zinc/74/03/89/411740389.db2.gz LAKKTJICIQLTLS-NXEZZACHSA-N 0 0 221.304 2.018 10 0 BEAERN CCOc1nc(Cl)nc(N[C@@H]2CC2(C)C)n1 ZINC000061517221 170602834 /nfs/dbraw/zinc/60/28/34/170602834.db2.gz OFHRQDNCWDNIIC-ZCFIWIBFSA-N 0 0 242.710 2.134 10 0 BEAERN CCOc1nc(N2CCC[C@@H]2C)ccc1N ZINC000037910021 170603311 /nfs/dbraw/zinc/60/33/11/170603311.db2.gz NSDHRMZTJPZMLT-VIFPVBQESA-N 0 0 221.304 2.051 10 0 BEAERN CCOc1noc(C)c1-c1ccccn1 ZINC000038325347 170606439 /nfs/dbraw/zinc/60/64/39/170606439.db2.gz MPMHZNZMQPBDCS-UHFFFAOYSA-N 0 0 204.229 2.444 10 0 BEAERN CCOc1occc1[C@H](C)OCOC ZINC000039098920 170606583 /nfs/dbraw/zinc/60/65/83/170606583.db2.gz UROGLEKYXVTCMF-QMMMGPOBSA-N 0 0 200.234 2.360 10 0 BEAERN CCCc1nccnc1N[C@@H]1C[C@@H](O)C1(C)C ZINC000663820351 411754010 /nfs/dbraw/zinc/75/40/10/411754010.db2.gz CHPBGBGTMLCSJY-GHMZBOCLSA-N 0 0 235.331 2.000 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CC[C@H](O)C1 ZINC000663840204 411758776 /nfs/dbraw/zinc/75/87/76/411758776.db2.gz OFPIIURQTHBRQV-MNOVXSKESA-N 0 0 235.331 2.002 10 0 BEAERN CCCc1nccnc1NC[C@@H](CC)OC ZINC000663922309 411768973 /nfs/dbraw/zinc/76/89/73/411768973.db2.gz KSFFCRZHJQBHDF-SNVBAGLBSA-N 0 0 223.320 2.266 10 0 BEAERN CCCc1nccnc1NC[C@H](OC)C1CC1 ZINC000663941523 411782465 /nfs/dbraw/zinc/78/24/65/411782465.db2.gz AIBSTJVGWVKKCU-LBPRGKRZSA-N 0 0 235.331 2.266 10 0 BEAERN CCCc1nccnc1NC[C@H](C)CCCO ZINC000663954377 411789796 /nfs/dbraw/zinc/78/97/96/411789796.db2.gz ZPICTQFZKKPPIG-LLVKDONJSA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1N[C@@H](C)CC(C)(C)O ZINC000663957094 411789805 /nfs/dbraw/zinc/78/98/05/411789805.db2.gz KPLHJHHREWSURL-JTQLQIEISA-N 0 0 237.347 2.391 10 0 BEAERN CCCc1nccnc1NCC(C)(C)CCO ZINC000663675194 411720576 /nfs/dbraw/zinc/72/05/76/411720576.db2.gz PISSQQXIJWRPIE-UHFFFAOYSA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1NC[C@]1(C)CCCO1 ZINC000663706552 411727401 /nfs/dbraw/zinc/72/74/01/411727401.db2.gz SWSFNTOMFLZABS-ZDUSSCGKSA-N 0 0 235.331 2.410 10 0 BEAERN CCCc1nccnc1N[C@@H]1CC12CCOCC2 ZINC000663970612 411795020 /nfs/dbraw/zinc/79/50/20/411795020.db2.gz GDJIABKYRDHPDB-GFCCVEGCSA-N 0 0 247.342 2.410 10 0 BEAERN CC[C@@H](C)CNc1ccc2c(c1)OCC(=O)N2 ZINC000121266413 170710484 /nfs/dbraw/zinc/71/04/84/170710484.db2.gz RBCANHHLNMHNCK-SECBINFHSA-N 0 0 234.299 2.476 10 0 BEAERN CC[C@@H](C)NC(=O)Cn1ccc2ccc(N)cc21 ZINC000037222415 170741200 /nfs/dbraw/zinc/74/12/00/170741200.db2.gz CBCZKWPYHUITIK-SNVBAGLBSA-N 0 0 245.326 2.138 10 0 BEAERN CC[C@@H](C)Nc1cccnc1-n1cccn1 ZINC000037122059 170759867 /nfs/dbraw/zinc/75/98/67/170759867.db2.gz IMPDQJLNZVTWRR-SNVBAGLBSA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@@H](C)OC(=O)c1c(N)cccc1F ZINC000048265573 170760620 /nfs/dbraw/zinc/76/06/20/170760620.db2.gz FPZHKEJHDJDRQT-SSDOTTSWSA-N 0 0 211.236 2.363 10 0 BEAERN CC[C@@H](C)Nc1nccn(C(C)C)c1=O ZINC000061761985 170761106 /nfs/dbraw/zinc/76/11/06/170761106.db2.gz DNHBDQVFCRWHOR-SECBINFHSA-N 0 0 209.293 2.035 10 0 BEAERN CC[C@@H](C)OCc1cc2c(cc1N)OCCO2 ZINC000048263956 170765804 /nfs/dbraw/zinc/76/58/04/170765804.db2.gz STCCLXRQIKGAKZ-SECBINFHSA-N 0 0 237.299 2.355 10 0 BEAERN CCCCC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000219779016 411903045 /nfs/dbraw/zinc/90/30/45/411903045.db2.gz ADBAGSVAUHTYME-AWEZNQCLSA-N 0 0 247.338 2.434 10 0 BEAERN CC[C@@H](COC)NC(=O)NC(C)(CC)CC ZINC000121236579 170845074 /nfs/dbraw/zinc/84/50/74/170845074.db2.gz QHVCCFMATPZALI-JTQLQIEISA-N 0 0 230.352 2.289 10 0 BEAERN CCCc1nccnc1N[C@@H]1C[C@]1(C)OC ZINC000664602480 411995320 /nfs/dbraw/zinc/99/53/20/411995320.db2.gz JQNGNIGGSGWVSC-PWSUYJOCSA-N 0 0 221.304 2.018 10 0 BEAERN CC(C)CCN(C(=O)c1ncccc1N)C1CC1 ZINC000132490568 411995404 /nfs/dbraw/zinc/99/54/04/411995404.db2.gz CFQDMNMITLDYOJ-UHFFFAOYSA-N 0 0 247.342 2.315 10 0 BEAERN C[C@@H](N(C)C(=O)c1ncccc1N)C(C)(C)C ZINC000132490997 411995423 /nfs/dbraw/zinc/99/54/23/411995423.db2.gz DSUZNHSFEKRENM-SECBINFHSA-N 0 0 235.331 2.170 10 0 BEAERN CC[C@@H](N[C@@H](C)c1ccc(C)o1)C(=O)OC ZINC000168270397 170908172 /nfs/dbraw/zinc/90/81/72/170908172.db2.gz PNEFPYKRXNATIY-VHSXEESVSA-N 0 0 225.288 2.190 10 0 BEAERN OCC1CC(Nc2nccc3occc32)C1 ZINC000664645278 412004676 /nfs/dbraw/zinc/00/46/76/412004676.db2.gz OWHKQVKGXPZXBW-UHFFFAOYSA-N 0 0 218.256 2.011 10 0 BEAERN CC[C@@H](Nc1cnn(CCOC)c1)C1CC1 ZINC000083068191 170917110 /nfs/dbraw/zinc/91/71/10/170917110.db2.gz PUYNPSIOCJNVMW-GFCCVEGCSA-N 0 0 223.320 2.130 10 0 BEAERN CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000040248519 170938617 /nfs/dbraw/zinc/93/86/17/170938617.db2.gz TXEKLBUUTWMRBY-LLVKDONJSA-N 0 0 205.257 2.015 10 0 BEAERN CC[C@@H](Sc1ccc(Cl)cc1N)C(N)=O ZINC000061677681 170950263 /nfs/dbraw/zinc/95/02/63/170950263.db2.gz VYJKHMZDLFGEEF-MRVPVSSYSA-N 0 0 244.747 2.278 10 0 BEAERN CC[C@@H]1CNc2c(sc(N)c2C(=O)OC)C1 ZINC000095936172 171103507 /nfs/dbraw/zinc/10/35/07/171103507.db2.gz SXGIBZLISKBAIC-LURJTMIESA-N 0 0 240.328 2.111 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(NC)nc1 ZINC000050817343 171114515 /nfs/dbraw/zinc/11/45/15/171114515.db2.gz FNQIXOGYBSJHQG-DGCLKSJQSA-N 0 0 249.358 2.123 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nccn2nc(C)cc12 ZINC000229540395 171142657 /nfs/dbraw/zinc/14/26/57/171142657.db2.gz VQPBJRIPJVUSCS-NXEZZACHSA-N 0 0 216.288 2.248 10 0 BEAERN CC[C@@H]1O[C@H](CC(C)C)O[C@H](O)[C@@H]1C ZINC000256011316 171152605 /nfs/dbraw/zinc/15/26/05/171152605.db2.gz XMPSTNFUOLDAMI-RCWTZXSCSA-N 0 0 202.294 2.139 10 0 BEAERN CC[C@@H]1Oc2c(Cl)cccc2NC1=O ZINC000095348079 171153536 /nfs/dbraw/zinc/15/35/36/171153536.db2.gz CNBQSRCBLSQWGQ-QMMMGPOBSA-N 0 0 211.648 2.450 10 0 BEAERN CC[C@@](C)(CCO)Nc1cncc(Cl)n1 ZINC000227983854 171166129 /nfs/dbraw/zinc/16/61/29/171166129.db2.gz JNUKDTWXDUCRBK-JTQLQIEISA-N 0 0 229.711 2.093 10 0 BEAERN CC[C@@](C)(CCO)Nc1cc(Cl)nc(C)n1 ZINC000230216785 171166638 /nfs/dbraw/zinc/16/66/38/171166638.db2.gz VQVASIOVPPAUAV-NSHDSACASA-N 0 0 243.738 2.401 10 0 BEAERN CC[C@@](C)(Nc1ccccc1Cl)C(N)=O ZINC000037942383 171177473 /nfs/dbraw/zinc/17/74/73/171177473.db2.gz OIUBZHBSCKZGOQ-LLVKDONJSA-N 0 0 226.707 2.406 10 0 BEAERN CC[C@@](C)(Nc1cccc(C)c1)C(N)=O ZINC000037943498 171178511 /nfs/dbraw/zinc/17/85/11/171178511.db2.gz OOAKAEOEBHESFN-GFCCVEGCSA-N 0 0 206.289 2.061 10 0 BEAERN CC[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000087012054 171185423 /nfs/dbraw/zinc/18/54/23/171185423.db2.gz VMRSNQLNODYRSL-GXTWGEPZSA-N 0 0 235.327 2.130 10 0 BEAERN CC[C@@](C)(O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000119086444 171186106 /nfs/dbraw/zinc/18/61/06/171186106.db2.gz WNXJHBMDYBWXFB-DGCLKSJQSA-N 0 0 241.331 2.026 10 0 BEAERN CC[C@H](C(=O)N[C@@H](C)[C@@H](C)CO)c1ccccc1 ZINC000133562532 171231858 /nfs/dbraw/zinc/23/18/58/171231858.db2.gz VJUSSDQQGOPSFQ-OBJOEFQTSA-N 0 0 249.354 2.313 10 0 BEAERN C1CC(Nc2nc3c(s2)NCCC3)C1 ZINC000536957284 412073183 /nfs/dbraw/zinc/07/31/83/412073183.db2.gz BXTBYNHZTJOFOR-UHFFFAOYSA-N 0 0 209.318 2.466 10 0 BEAERN CC[C@H](C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000034216360 171241808 /nfs/dbraw/zinc/24/18/08/171241808.db2.gz QSECISHJCUVPHU-JTQLQIEISA-N 0 0 238.283 2.370 10 0 BEAERN CC[C@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125998782 171247015 /nfs/dbraw/zinc/24/70/15/171247015.db2.gz UZFKKGDBQHGBSY-LBPRGKRZSA-N 0 0 249.358 2.168 10 0 BEAERN CC[C@H](C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105859108 171248167 /nfs/dbraw/zinc/24/81/67/171248167.db2.gz FCOYPYCFJQVQOB-STQMWFEESA-N 0 0 249.358 2.401 10 0 BEAERN CC[C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000097428660 171249319 /nfs/dbraw/zinc/24/93/19/171249319.db2.gz FMUDOKYUBAHSKT-SDDRHHMPSA-N 0 0 225.332 2.203 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134323804 171270757 /nfs/dbraw/zinc/27/07/57/171270757.db2.gz MWNMLGPBLOWQSJ-WDEREUQCSA-N 0 0 249.358 2.334 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134323849 171270784 /nfs/dbraw/zinc/27/07/84/171270784.db2.gz MWNMLGPBLOWQSJ-QWRGUYRKSA-N 0 0 249.358 2.334 10 0 BEAERN CC[C@H](C)CNC(=O)c1sccc1N ZINC000054466322 171283750 /nfs/dbraw/zinc/28/37/50/171283750.db2.gz TVYTXIDJXUCFAC-ZETCQYMHSA-N 0 0 212.318 2.106 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(N)cc1 ZINC000054466094 171283936 /nfs/dbraw/zinc/28/39/36/171283936.db2.gz OIHHACBSVFSFLI-VIFPVBQESA-N 0 0 206.289 2.045 10 0 BEAERN CC[C@H](C)Cn1c2cc(N)ccc2oc1=O ZINC000050424482 171301029 /nfs/dbraw/zinc/30/10/29/171301029.db2.gz UGLQZCLEWLNBIJ-QMMMGPOBSA-N 0 0 220.272 2.223 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc2c[nH]nc2c1 ZINC000061670245 171305361 /nfs/dbraw/zinc/30/53/61/171305361.db2.gz YMWWFZRYYRUYHN-VIFPVBQESA-N 0 0 231.299 2.433 10 0 BEAERN CC[C@H](C)N(C)c1nc2ccccn2c1C=O ZINC000035433264 171309065 /nfs/dbraw/zinc/30/90/65/171309065.db2.gz PYFUYSBHJOYOKR-JTQLQIEISA-N 0 0 231.299 2.382 10 0 BEAERN CC[C@H](C)[NH2+]Cc1ccc(C(=O)[O-])s1 ZINC000006806445 171342680 /nfs/dbraw/zinc/34/26/80/171342680.db2.gz BAHYAOMBSBEANA-ZETCQYMHSA-N 0 0 213.302 2.334 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000038066173 171344719 /nfs/dbraw/zinc/34/47/19/171344719.db2.gz HNPVTCNPHFWKTL-JOYOIKCWSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@H](C)NS(=O)(=O)c1cc(C)sc1C ZINC000032548392 171344908 /nfs/dbraw/zinc/34/49/08/171344908.db2.gz GQLKKOIJHGXXDZ-ZETCQYMHSA-N 0 0 247.385 2.442 10 0 BEAERN CC[C@H](C)[NH2+][C@](C(N)=O)(c1ccccc1)C(C)C ZINC000038065795 171348977 /nfs/dbraw/zinc/34/89/77/171348977.db2.gz VLPGCNQNTWSSBQ-WFASDCNBSA-N 0 0 248.370 2.411 10 0 BEAERN CC[C@H](C)Nc1cc(C)cc2ncnn21 ZINC000035047892 171349676 /nfs/dbraw/zinc/34/96/76/171349676.db2.gz UANWMRWXIFQQLX-VIFPVBQESA-N 0 0 204.277 2.248 10 0 BEAERN CC[C@H](C)Nc1ccc(-n2ccnc2)nc1 ZINC000037040490 171349785 /nfs/dbraw/zinc/34/97/85/171349785.db2.gz LILQMNQJKZTZOV-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)Nc1ccc(N)c2nonc21 ZINC000035675330 171349879 /nfs/dbraw/zinc/34/98/79/171349879.db2.gz PHRLZJIVOZWLGA-LURJTMIESA-N 0 0 206.249 2.015 10 0 BEAERN CC[C@H](C)Nc1ccc(-n2nccn2)cc1 ZINC000037128313 171349906 /nfs/dbraw/zinc/34/99/06/171349906.db2.gz NARHASRRAFISBG-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)Nc1nccn(C(C)C)c1=O ZINC000061761986 171350282 /nfs/dbraw/zinc/35/02/82/171350282.db2.gz DNHBDQVFCRWHOR-VIFPVBQESA-N 0 0 209.293 2.035 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2N1 ZINC000040396641 171351467 /nfs/dbraw/zinc/35/14/67/171351467.db2.gz FUQSEBYURNJWJM-CABZTGNLSA-N 0 0 219.284 2.365 10 0 BEAERN CC[C@H](C)Oc1ccc(N)c(C(=O)OC)c1 ZINC000041046286 171356202 /nfs/dbraw/zinc/35/62/02/171356202.db2.gz BSOWKYQMKVYBKK-QMMMGPOBSA-N 0 0 223.272 2.233 10 0 BEAERN CC[C@H](C)Oc1cc2c(cc1N)OCCO2 ZINC000037715657 171356576 /nfs/dbraw/zinc/35/65/76/171356576.db2.gz OAGSSHADSFMAJP-QMMMGPOBSA-N 0 0 223.272 2.217 10 0 BEAERN CC[C@H](C)[S@@](=O)c1nc2cc(N)ccc2o1 ZINC000042196572 171408505 /nfs/dbraw/zinc/40/85/05/171408505.db2.gz WZOMXWFQKIRBMB-GYKQLYQFSA-N 0 0 238.312 2.316 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C)c1ncc[nH]1 ZINC000300242174 171504989 /nfs/dbraw/zinc/50/49/89/171504989.db2.gz XTOYHJORAIQYCZ-MXWKQRLJSA-N 0 0 235.331 2.413 10 0 BEAERN CC[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000083070430 171580823 /nfs/dbraw/zinc/58/08/23/171580823.db2.gz IIEYBUNPTWMMQX-UWVGGRQHSA-N 0 0 229.320 2.014 10 0 BEAERN CC[C@H](O)c1ccc(O[C@@H]2CCC[C@H]2O)cc1 ZINC000103957783 171581741 /nfs/dbraw/zinc/58/17/41/171581741.db2.gz WCYHGWWLSCHLTO-BFHYXJOUSA-N 0 0 236.311 2.422 10 0 BEAERN CCC[C@@H]1CCCCN1C(=O)c1ncccc1N ZINC000132851507 412321177 /nfs/dbraw/zinc/32/11/77/412321177.db2.gz ZCSSFQHZKWJHHZ-LLVKDONJSA-N 0 0 247.342 2.459 10 0 BEAERN CC[C@H]1NC(=O)N(c2ccccc2Cl)C1=O ZINC000036756541 171681497 /nfs/dbraw/zinc/68/14/97/171681497.db2.gz BDYMSGGARRXQKH-MRVPVSSYSA-N 0 0 238.674 2.175 10 0 BEAERN CCc1c[nH]c(=O)c2cc(F)c(F)cc12 ZINC000090415345 171744934 /nfs/dbraw/zinc/74/49/34/171744934.db2.gz LUGIDZXRGYOGLZ-UHFFFAOYSA-N 0 0 209.195 2.369 10 0 BEAERN CCc1cc(CC)nc(N[C@H]2C[C@H]2C)n1 ZINC000336716056 171759325 /nfs/dbraw/zinc/75/93/25/171759325.db2.gz WYLBWOHFMSHZLC-KCJUWKMLSA-N 0 0 205.305 2.422 10 0 BEAERN CCc1cc2cc(OC)ccc2[nH]c1=NN ZINC000011634042 171776063 /nfs/dbraw/zinc/77/60/63/171776063.db2.gz AGOGWMDKJNOUFF-UHFFFAOYSA-N 0 0 217.272 2.091 10 0 BEAERN CCc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cc1 ZINC000130774585 171784886 /nfs/dbraw/zinc/78/48/86/171784886.db2.gz FVURLPFYBNINGF-VXGBXAGGSA-N 0 0 247.338 2.498 10 0 BEAERN CCc1ccc(CCNC(=O)[C@@H](C)COC)cc1 ZINC000123426474 171792497 /nfs/dbraw/zinc/79/24/97/171792497.db2.gz QQYRVYKYBPAUON-LBPRGKRZSA-N 0 0 249.354 2.190 10 0 BEAERN CCCc1nccnc1NCc1cnn(C)c1C ZINC000663259078 412402652 /nfs/dbraw/zinc/40/26/52/412402652.db2.gz XZWDVLSICHXRAL-UHFFFAOYSA-N 0 0 245.330 2.083 10 0 BEAERN CCc1ccc(Cn2ccc(N)n2)s1 ZINC000037418729 171815874 /nfs/dbraw/zinc/81/58/74/171815874.db2.gz IIINSVJYDMSIFO-UHFFFAOYSA-N 0 0 207.302 2.138 10 0 BEAERN CCc1ccc(N2CC[C@@H](CO)C2)cc1 ZINC000011892817 171816459 /nfs/dbraw/zinc/81/64/59/171816459.db2.gz CVYDVXBCWLRIMY-GFCCVEGCSA-N 0 0 205.301 2.068 10 0 BEAERN CCc1ccc([C@H](NCC2CC2)C(=O)OC)cc1 ZINC000037967820 171843558 /nfs/dbraw/zinc/84/35/58/171843558.db2.gz TWWGXGVTICXLBY-AWEZNQCLSA-N 0 0 247.338 2.463 10 0 BEAERN CCc1cccc(C)c1N1CC[C@@H](CO)C1 ZINC000058837005 171853220 /nfs/dbraw/zinc/85/32/20/171853220.db2.gz RPGSJGNRZBGFRT-GFCCVEGCSA-N 0 0 219.328 2.376 10 0 BEAERN CCc1nc([C@H](N)c2cccc(C)c2C)no1 ZINC000049796261 172007670 /nfs/dbraw/zinc/00/76/70/172007670.db2.gz DNQWPIGFSSRREY-GFCCVEGCSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1nc2c(cc(C)nc2C(=O)OC)s1 ZINC000089229252 172009060 /nfs/dbraw/zinc/00/90/60/172009060.db2.gz HKFOZCJFBCTMJJ-UHFFFAOYSA-N 0 0 236.296 2.349 10 0 BEAERN CCc1ncc(-c2cccc(N)c2)n1C ZINC000039100734 172015143 /nfs/dbraw/zinc/01/51/43/172015143.db2.gz KSNACHOHWHGXGC-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN CCc1ncc(N(C)C)cc1OC1CC1 ZINC000095721688 172020409 /nfs/dbraw/zinc/02/04/09/172020409.db2.gz PLJUWNAVDQELSS-UHFFFAOYSA-N 0 0 206.289 2.251 10 0 BEAERN CCc1nccn1[C@H](C)C(=O)NC(CC)CC ZINC000104286087 172028748 /nfs/dbraw/zinc/02/87/48/172028748.db2.gz PNELIUVZSOJGCG-SNVBAGLBSA-N 0 0 237.347 2.311 10 0 BEAERN CCc1ncnc(N[C@](C)(CC)CCO)c1F ZINC000218070353 172033348 /nfs/dbraw/zinc/03/33/48/172033348.db2.gz MPHRTHMBRUTKCE-GFCCVEGCSA-N 0 0 241.310 2.141 10 0 BEAERN CCc1nn(-c2ccccc2)cc1C=O ZINC000090415853 172038345 /nfs/dbraw/zinc/03/83/45/172038345.db2.gz WAGPCJNMXFYFBB-UHFFFAOYSA-N 0 0 200.241 2.247 10 0 BEAERN CCc1nnc(-c2ccc(C)c(N)c2)o1 ZINC000036335840 172045732 /nfs/dbraw/zinc/04/57/32/172045732.db2.gz MUALPBLIWULENV-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nn2ccccc2c1NC(=O)C1CC1 ZINC000039102887 172045895 /nfs/dbraw/zinc/04/58/95/172045895.db2.gz KOTYJEQTQQSODD-UHFFFAOYSA-N 0 0 229.283 2.245 10 0 BEAERN CCc1nnc2c(Cl)nc3ccccc3n12 ZINC000039631424 172067371 /nfs/dbraw/zinc/06/73/71/172067371.db2.gz LFJRTFZMVFGBTB-UHFFFAOYSA-N 0 0 232.674 2.493 10 0 BEAERN CCc1nsc(N[C@H]2CCC[C@H](OC)C2)n1 ZINC000301798574 172107523 /nfs/dbraw/zinc/10/75/23/172107523.db2.gz VGABQVWAHMXRIZ-IUCAKERBSA-N 0 0 241.360 2.470 10 0 BEAERN CCc1onc(C)c1C(=O)Nc1cnn(CC)c1 ZINC000109045041 172125672 /nfs/dbraw/zinc/12/56/72/172125672.db2.gz KZGQIBLFJKNEBT-UHFFFAOYSA-N 0 0 248.286 2.014 10 0 BEAERN CCn1c(=O)ccc2c(C)cc(C)nc21 ZINC000169335978 172132502 /nfs/dbraw/zinc/13/25/02/172132502.db2.gz WWWOSHGSCWSTNT-UHFFFAOYSA-N 0 0 202.257 2.033 10 0 BEAERN CCn1c(C)cc(C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000075522345 172136513 /nfs/dbraw/zinc/13/65/13/172136513.db2.gz DQDRFPKPIJODPI-UFBFGSQYSA-N 0 0 220.316 2.263 10 0 BEAERN CCn1c(C)nnc1-c1cccc(N)c1C ZINC000061857409 172138386 /nfs/dbraw/zinc/13/83/86/172138386.db2.gz GCAFUNMBKROHIH-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1c(C)nnc1-c1ccc(N)cc1C ZINC000044750413 172138771 /nfs/dbraw/zinc/13/87/71/172138771.db2.gz GYROIDJZIMZEGV-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1c(C)nnc1-c1ccc(C)c(N)c1 ZINC000042030073 172138923 /nfs/dbraw/zinc/13/89/23/172138923.db2.gz BXTULABJYCXEAA-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1c(C)nnc1COc1ccccc1F ZINC000194654597 172140486 /nfs/dbraw/zinc/14/04/86/172140486.db2.gz LYHJVSKQNBVFIM-UHFFFAOYSA-N 0 0 235.262 2.325 10 0 BEAERN CCn1c(=O)c2cc(Cl)ccc2[n-]c1=S ZINC000007043934 172146572 /nfs/dbraw/zinc/14/65/72/172146572.db2.gz BVHJKNWOEQANST-UHFFFAOYSA-N 0 0 240.715 2.359 10 0 BEAERN CCn1cc(C[C@H](O)c2ccccc2C)cn1 ZINC000050542065 172176965 /nfs/dbraw/zinc/17/69/65/172176965.db2.gz FUHOPKIHGTYZKX-AWEZNQCLSA-N 0 0 230.311 2.488 10 0 BEAERN CCn1cc(C[C@@H](O)c2ccccc2C)cn1 ZINC000050542066 172177463 /nfs/dbraw/zinc/17/74/63/172177463.db2.gz FUHOPKIHGTYZKX-CQSZACIVSA-N 0 0 230.311 2.488 10 0 BEAERN CCn1cc(NCc2ccco2)ccc1=O ZINC000037773841 172185776 /nfs/dbraw/zinc/18/57/76/172185776.db2.gz CTUMQVSMLMKBJD-UHFFFAOYSA-N 0 0 218.256 2.073 10 0 BEAERN CCn1cc([C@@H]2CN(CC=C(C)C)CCO2)cn1 ZINC000190761436 172196364 /nfs/dbraw/zinc/19/63/64/172196364.db2.gz ILFDQWSSEQIOET-AWEZNQCLSA-N 0 0 249.358 2.243 10 0 BEAERN CCn1cc2c(=O)[nH]nc-2c2cc(C)ccc21 ZINC000103648857 172198843 /nfs/dbraw/zinc/19/88/43/172198843.db2.gz BRTBMZPKYTXOQS-UHFFFAOYSA-N 0 0 227.267 2.158 10 0 BEAERN CCn1ccc2cc(OC)ccc2c1=O ZINC000000259263 172201034 /nfs/dbraw/zinc/20/10/34/172201034.db2.gz XKVLBTPTIKSDBO-UHFFFAOYSA-N 0 0 203.241 2.030 10 0 BEAERN CCn1ccnc1[C@H](N)c1ccsc1 ZINC000041048468 172230073 /nfs/dbraw/zinc/23/00/73/172230073.db2.gz JBDKMOZKECWXMM-SECBINFHSA-N 0 0 207.302 2.013 10 0 BEAERN CCn1cnc(-c2c(F)cccc2F)c1N ZINC000104900874 172230595 /nfs/dbraw/zinc/23/05/95/172230595.db2.gz SWJUFMOTCUTTTB-UHFFFAOYSA-N 0 0 223.226 2.430 10 0 BEAERN CCn1cnc(-c2ccc(F)cc2F)c1N ZINC000104900897 172230749 /nfs/dbraw/zinc/23/07/49/172230749.db2.gz OFXBWOHZSOAGQE-UHFFFAOYSA-N 0 0 223.226 2.430 10 0 BEAERN CCn1cnc(-c2ccccc2OC)c1N ZINC000105014639 172230810 /nfs/dbraw/zinc/23/08/10/172230810.db2.gz CGXGUHZJYMNXGO-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1cnc(-c2cccc(OC)c2)c1N ZINC000105014634 172230853 /nfs/dbraw/zinc/23/08/53/172230853.db2.gz SQJNYDJDXPEZRG-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1cnc(-c2cccc(F)c2)c1N ZINC000104900860 172230896 /nfs/dbraw/zinc/23/08/96/172230896.db2.gz FDINLDOOMCAIMC-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1nc(-c2ccccc2C)cc1N ZINC000041043633 172240971 /nfs/dbraw/zinc/24/09/71/172240971.db2.gz BKQGNYRUYATWEZ-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1nc(C)c(NC(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000089481360 172246602 /nfs/dbraw/zinc/24/66/02/172246602.db2.gz HCGKSTHAKWVCTQ-OIBJUYFYSA-N 0 0 236.319 2.050 10 0 BEAERN CCn1nc(C)c(NC(=O)N[C@H]2C[C@@H]2C)c1C ZINC000089481361 172247959 /nfs/dbraw/zinc/24/79/59/172247959.db2.gz HCGKSTHAKWVCTQ-XVKPBYJWSA-N 0 0 236.319 2.050 10 0 BEAERN CN(C(=O)NC(C)(C)C)c1cccc(N)c1 ZINC000041022609 172317718 /nfs/dbraw/zinc/31/77/18/172317718.db2.gz UBYAFMRYXJUBQP-UHFFFAOYSA-N 0 0 221.304 2.213 10 0 BEAERN CN(C(=O)OC(C)(C)C)c1ccncc1N ZINC000042140641 172324760 /nfs/dbraw/zinc/32/47/60/172324760.db2.gz JTQRSFARMWRIQE-UHFFFAOYSA-N 0 0 223.276 2.035 10 0 BEAERN CN(C(=O)c1cc(N)ccn1)c1ccc(F)cc1 ZINC000050708085 172337874 /nfs/dbraw/zinc/33/78/74/172337874.db2.gz IQUQCJJNNWEMIT-UHFFFAOYSA-N 0 0 245.257 2.080 10 0 BEAERN CN(C(=O)c1ccc2c(c1)CCCN2)C1CC1 ZINC000037081179 172341556 /nfs/dbraw/zinc/34/15/56/172341556.db2.gz AOQWSRKLMYRLGL-UHFFFAOYSA-N 0 0 230.311 2.279 10 0 BEAERN CN(C(=O)c1ccccc1)c1ccncc1 ZINC000005328837 172341875 /nfs/dbraw/zinc/34/18/75/172341875.db2.gz WWGQDQUDHWBLAX-UHFFFAOYSA-N 0 0 212.252 2.358 10 0 BEAERN CN(C)/C=C/c1nc(-c2ccccc2)no1 ZINC000095081593 172351369 /nfs/dbraw/zinc/35/13/69/172351369.db2.gz GGBPEWJBQRELMV-CMDGGOBGSA-N 0 0 215.256 2.269 10 0 BEAERN CN(C)C(=O)NCCCc1cccc(F)c1 ZINC000109298508 172378803 /nfs/dbraw/zinc/37/88/03/172378803.db2.gz NNORLVBXBOCLMR-UHFFFAOYSA-N 0 0 224.279 2.030 10 0 BEAERN CN(C)C(=O)c1ccc(O)c(C(C)(C)C)c1 ZINC000095711540 172389931 /nfs/dbraw/zinc/38/99/31/172389931.db2.gz WKNJKHUZSGDNPW-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=S)c1nc2ccccc2o1 ZINC000196813480 172393249 /nfs/dbraw/zinc/39/32/49/172393249.db2.gz YXEYLIJOXOYZPX-UHFFFAOYSA-N 0 0 206.270 2.065 10 0 BEAERN CN(C)c1ccccc1NC[C@H]1CCOC1 ZINC000037509202 172572359 /nfs/dbraw/zinc/57/23/59/172572359.db2.gz RQUFZJHURZBYAJ-LLVKDONJSA-N 0 0 220.316 2.201 10 0 BEAERN CN(C)c1nccnc1N(C)C[C@@H]1CC=CCC1 ZINC000302201564 172585305 /nfs/dbraw/zinc/58/53/05/172585305.db2.gz SMXDSWDIFAAAFZ-GFCCVEGCSA-N 0 0 246.358 2.335 10 0 BEAERN CN(CC(F)(F)F)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000336436777 172628540 /nfs/dbraw/zinc/62/85/40/172628540.db2.gz FINNFHCIVYFZMX-SFYZADRCSA-N 0 0 236.237 2.085 10 0 BEAERN CN(CC(F)(F)F)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000336436776 172629021 /nfs/dbraw/zinc/62/90/21/172629021.db2.gz FINNFHCIVYFZMX-JGVFFNPUSA-N 0 0 236.237 2.085 10 0 BEAERN CN(Cc1cc(N)ccc1Cl)C(=O)C1CC1 ZINC000036738750 172840596 /nfs/dbraw/zinc/84/05/96/172840596.db2.gz FLZUROGYIXMDTE-UHFFFAOYSA-N 0 0 238.718 2.291 10 0 BEAERN CN(Cc1cccc(N)c1)C(=O)c1ccco1 ZINC000035359833 172864524 /nfs/dbraw/zinc/86/45/24/172864524.db2.gz LLRCLMCLBLCYFS-UHFFFAOYSA-N 0 0 230.267 2.134 10 0 BEAERN C[N@H+](Cc1cccs1)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000062751826 172894220 /nfs/dbraw/zinc/89/42/20/172894220.db2.gz NWTVGPSDJWGQMD-QWRGUYRKSA-N 0 0 239.340 2.433 10 0 BEAERN CN(Cc1ccoc1)C(=O)c1sccc1N ZINC000042447726 172903314 /nfs/dbraw/zinc/90/33/14/172903314.db2.gz DWBTZFITDFSTQG-UHFFFAOYSA-N 0 0 236.296 2.196 10 0 BEAERN CN(Cc1cscn1)Cc1ccccc1N ZINC000042858882 172921670 /nfs/dbraw/zinc/92/16/70/172921670.db2.gz DHYCOLNQAPCZES-UHFFFAOYSA-N 0 0 233.340 2.357 10 0 BEAERN C[NH+]1CCC(CCc2ccccc2)(C(=O)[O-])CC1 ZINC000034118239 172983422 /nfs/dbraw/zinc/98/34/22/172983422.db2.gz YLWYSSULAYIELN-UHFFFAOYSA-N 0 0 247.338 2.416 10 0 BEAERN C[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000075905967 173001409 /nfs/dbraw/zinc/00/14/09/173001409.db2.gz IBOCTWZCCBAUIL-UHFFFAOYSA-N 0 0 219.284 2.194 10 0 BEAERN CN1CCO[C@@H]1c1c(F)cccc1Cl ZINC000049815904 173101591 /nfs/dbraw/zinc/10/15/91/173101591.db2.gz GHRQUDBNMBIFBJ-SNVBAGLBSA-N 0 0 215.655 2.440 10 0 BEAERN C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000013779621 173156775 /nfs/dbraw/zinc/15/67/75/173156775.db2.gz MVNHJEXPDKVMJY-WCQYABFASA-N 0 0 239.746 2.368 10 0 BEAERN CN1CCc2cccc(Br)c2C1 ZINC000040435046 173172468 /nfs/dbraw/zinc/17/24/68/173172468.db2.gz HEVSJNXWDZDGHL-UHFFFAOYSA-N 0 0 226.117 2.437 10 0 BEAERN CN1Cc2cc(Br)cc(F)c2C1=O ZINC000299889515 173199596 /nfs/dbraw/zinc/19/95/96/173199596.db2.gz KLTUNZMOGSURHO-UHFFFAOYSA-N 0 0 244.063 2.174 10 0 BEAERN CN1Cc2cc(Br)sc2CC1=O ZINC000096983937 173200457 /nfs/dbraw/zinc/20/04/57/173200457.db2.gz HBNZXUAYUCIPFZ-UHFFFAOYSA-N 0 0 246.129 2.025 10 0 BEAERN CN1Cc2csc(Br)c2C1 ZINC000082368772 173202524 /nfs/dbraw/zinc/20/25/24/173202524.db2.gz SHHMNVZXNTVHGS-UHFFFAOYSA-N 0 0 218.119 2.456 10 0 BEAERN CNC(=O)CCOc1ccc(C(C)(C)C)cc1 ZINC000070236995 173261690 /nfs/dbraw/zinc/26/16/90/173261690.db2.gz BFPCCBAAEYHBHK-UHFFFAOYSA-N 0 0 235.327 2.499 10 0 BEAERN CNC(=O)CNc1ccc(Cl)c(Cl)c1 ZINC000015289057 173278526 /nfs/dbraw/zinc/27/85/26/173278526.db2.gz WWUPOUFDEVQNKY-UHFFFAOYSA-N 0 0 233.098 2.151 10 0 BEAERN CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000048922940 173292350 /nfs/dbraw/zinc/29/23/50/173292350.db2.gz AVYIDEMHOJCAMO-ZCFIWIBFSA-N 0 0 230.670 2.469 10 0 BEAERN CNC(=O)[C@H](C)n1c2ccc(C)cc2[nH]c1=S ZINC000042572316 173304471 /nfs/dbraw/zinc/30/44/71/173304471.db2.gz SRLYWMBXHMDHSU-QMMMGPOBSA-N 0 0 249.339 2.314 10 0 BEAERN CNC(=O)c1c(N)sc2c1[C@@H](C)CCC2 ZINC000104319857 173309372 /nfs/dbraw/zinc/30/93/72/173309372.db2.gz SJDANXRXIIIPDX-LURJTMIESA-N 0 0 224.329 2.130 10 0 BEAERN CNC(=O)c1cc(Cl)cc(OC2CC2)c1 ZINC000095720240 173309613 /nfs/dbraw/zinc/30/96/13/173309613.db2.gz DPAZNOMZHITLMG-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=S)c1ccc(Br)cc1 ZINC000075856571 173317216 /nfs/dbraw/zinc/31/72/16/173317216.db2.gz DOIJKYRDEVQOTI-UHFFFAOYSA-N 0 0 230.130 2.344 10 0 BEAERN CNC(=S)n1c2ccccc2[nH]c1=S ZINC000026330574 173317891 /nfs/dbraw/zinc/31/78/91/173317891.db2.gz DGVORAIGIDADAD-UHFFFAOYSA-N 0 0 223.326 2.051 10 0 BEAERN CNC(C)(C)c1nc(C2CCCC2)no1 ZINC000061151406 173321571 /nfs/dbraw/zinc/32/15/71/173321571.db2.gz ZXONXMKPSZSJII-UHFFFAOYSA-N 0 0 209.293 2.182 10 0 BEAERN CN[C@@H](C(=O)OC)c1csc2ccccc21 ZINC000054465147 173411401 /nfs/dbraw/zinc/41/14/01/173411401.db2.gz SJQBEOIPUFQYJP-LLVKDONJSA-N 0 0 235.308 2.335 10 0 BEAERN CNc1cc(COC)nc(-c2ccsc2)n1 ZINC000051697546 173474376 /nfs/dbraw/zinc/47/43/76/173474376.db2.gz OYJKAFBGIHDINC-UHFFFAOYSA-N 0 0 235.312 2.393 10 0 BEAERN CNc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000050743253 173477546 /nfs/dbraw/zinc/47/75/46/173477546.db2.gz QWDHILHFRBFJMP-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN CNc1ccc(OC)cc1C(=O)SC ZINC000072417471 173480008 /nfs/dbraw/zinc/48/00/08/173480008.db2.gz KNAIEWVDRGOLAN-UHFFFAOYSA-N 0 0 211.286 2.240 10 0 BEAERN CNc1ccnc(C(=O)N(C)CC2CCCC2)c1 ZINC000104345554 173483138 /nfs/dbraw/zinc/48/31/38/173483138.db2.gz WEPGCDGAOKNEEI-UHFFFAOYSA-N 0 0 247.342 2.386 10 0 BEAERN CNc1nc2ccc(N(C)C)cc2s1 ZINC000045237104 173488024 /nfs/dbraw/zinc/48/80/24/173488024.db2.gz UOOMEHZLPUQNGF-UHFFFAOYSA-N 0 0 207.302 2.404 10 0 BEAERN COC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000135726093 173495272 /nfs/dbraw/zinc/49/52/72/173495272.db2.gz ILUXKDLDTMIZIY-CMDGGOBGSA-N 0 0 206.241 2.272 10 0 BEAERN COC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000039608265 173496007 /nfs/dbraw/zinc/49/60/07/173496007.db2.gz ANLGEQPAUISRMX-NSCUHMNNSA-N 0 0 242.687 2.235 10 0 BEAERN COC(=O)C1=CCCc2c1ccc(OC)c2OC ZINC000091352001 173517526 /nfs/dbraw/zinc/51/75/26/173517526.db2.gz XCORKASNGYCRCW-UHFFFAOYSA-N 0 0 248.278 2.206 10 0 BEAERN COC(=O)CCCNc1cc(F)cc(F)c1F ZINC000061095523 173544032 /nfs/dbraw/zinc/54/40/32/173544032.db2.gz XEWSQHRSGVOIMA-UHFFFAOYSA-N 0 0 247.216 2.469 10 0 BEAERN COC(=O)Cc1cccc2c(O)cccc12 ZINC000143586665 173643639 /nfs/dbraw/zinc/64/36/39/173643639.db2.gz SOCVVRZXQHVOHS-UHFFFAOYSA-N 0 0 216.236 2.261 10 0 BEAERN COC(=O)Cc1nsc2ccccc12 ZINC000032237062 173644718 /nfs/dbraw/zinc/64/47/18/173644718.db2.gz WRZIEXYOQMHLNS-UHFFFAOYSA-N 0 0 207.254 2.012 10 0 BEAERN COC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000019815630 173662951 /nfs/dbraw/zinc/66/29/51/173662951.db2.gz UDGFNXLZFJLCRA-UHFFFAOYSA-N 0 0 234.177 2.466 10 0 BEAERN COC(=O)c1c(C)c(Cl)c(C)cc1O ZINC000082722654 173845119 /nfs/dbraw/zinc/84/51/19/173845119.db2.gz GDZLZJROVSPWSJ-UHFFFAOYSA-N 0 0 214.648 2.449 10 0 BEAERN COC(=O)c1c[nH]c(-c2ccc(F)c(C)c2)n1 ZINC000051170818 173845999 /nfs/dbraw/zinc/84/59/99/173845999.db2.gz NHRAJARPSNWKLS-UHFFFAOYSA-N 0 0 234.230 2.311 10 0 BEAERN COC(=O)c1ccc(OCCC(C)C)c(N)c1 ZINC000036225715 173887380 /nfs/dbraw/zinc/88/73/80/173887380.db2.gz KNWQWFXLUWYFQZ-UHFFFAOYSA-N 0 0 237.299 2.480 10 0 BEAERN COC(=O)c1cccc(C(C)(C)C)c1N ZINC000070569863 173894678 /nfs/dbraw/zinc/89/46/78/173894678.db2.gz GJQCDROKTJQEGY-UHFFFAOYSA-N 0 0 207.273 2.353 10 0 BEAERN COC(=O)c1cncc(-c2ccco2)c1 ZINC000022200586 173908452 /nfs/dbraw/zinc/90/84/52/173908452.db2.gz RYVDVDJYZUZXKK-UHFFFAOYSA-N 0 0 203.197 2.128 10 0 BEAERN COC(C)(C)C[C@@H](C)n1ncc(C)c1N ZINC000020578507 173947525 /nfs/dbraw/zinc/94/75/25/173947525.db2.gz YLXAOOUJCMEASU-SECBINFHSA-N 0 0 211.309 2.150 10 0 BEAERN COC(OC)[C@@H]1C(=O)CCCC1(C)C ZINC000104843492 173965056 /nfs/dbraw/zinc/96/50/56/173965056.db2.gz RVVOXQZRKROZPS-VIFPVBQESA-N 0 0 200.278 2.001 10 0 BEAERN COCC(=O)N1CCC(c2cccs2)CC1 ZINC000075157000 174039739 /nfs/dbraw/zinc/03/97/39/174039739.db2.gz KCBOIPVHLWQUTH-UHFFFAOYSA-N 0 0 239.340 2.101 10 0 BEAERN COCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000022142332 174056999 /nfs/dbraw/zinc/05/69/99/174056999.db2.gz UERZTBFXVISSAG-UHFFFAOYSA-N 0 0 249.097 2.161 10 0 BEAERN COCC(=O)c1ccc(OC)c(Cl)c1 ZINC000036198252 174062759 /nfs/dbraw/zinc/06/27/59/174062759.db2.gz GBDWTCYWEOOOHM-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN COCC(=O)c1cc(C)c(OC)cc1C ZINC000036200431 174063323 /nfs/dbraw/zinc/06/33/23/174063323.db2.gz SUPIXEQFSVRHKC-UHFFFAOYSA-N 0 0 208.257 2.141 10 0 BEAERN COCCCCCNc1cc(C)c(C)nn1 ZINC000302789417 174184293 /nfs/dbraw/zinc/18/42/93/174184293.db2.gz DVQCXEYRMTZGIB-UHFFFAOYSA-N 0 0 223.320 2.322 10 0 BEAERN COCCCNc1cc(OC)ccc1OC ZINC000037753678 174252122 /nfs/dbraw/zinc/25/21/22/174252122.db2.gz BQYLNSHFZFCNLZ-UHFFFAOYSA-N 0 0 225.288 2.152 10 0 BEAERN COCCCOC(=O)c1cc(N)cc(C)c1C ZINC000062349609 174253463 /nfs/dbraw/zinc/25/34/63/174253463.db2.gz SSPGULPAMJZMIA-UHFFFAOYSA-N 0 0 237.299 2.079 10 0 BEAERN COCCCOc1c(C)cc(C)cc1N ZINC000041218807 174256936 /nfs/dbraw/zinc/25/69/36/174256936.db2.gz GXMASIIFCVPNHH-UHFFFAOYSA-N 0 0 209.289 2.301 10 0 BEAERN COCCN([C@@H](C)C(=O)c1ccccc1)C1CC1 ZINC000042517618 174284506 /nfs/dbraw/zinc/28/45/06/174284506.db2.gz YYMPOOBPQADBFI-LBPRGKRZSA-N 0 0 247.338 2.369 10 0 BEAERN COCCN(CC(=O)c1ccccc1)CC(C)C ZINC000042370388 174286157 /nfs/dbraw/zinc/28/61/57/174286157.db2.gz YCCBYTIGCDHHCM-UHFFFAOYSA-N 0 0 249.354 2.474 10 0 BEAERN COCCN(c1ccccc1C[NH3+])[C@@H](C)C1CC1 ZINC000042613793 174302650 /nfs/dbraw/zinc/30/26/50/174302650.db2.gz ZSLNYGOIDILTMQ-LBPRGKRZSA-N 0 0 248.370 2.397 10 0 BEAERN COCCN(c1c(F)cc(N)cc1F)C1CC1 ZINC000042517459 174302890 /nfs/dbraw/zinc/30/28/90/174302890.db2.gz IDRCERCMKDTRJO-UHFFFAOYSA-N 0 0 242.269 2.162 10 0 BEAERN COCCNc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509724 174341332 /nfs/dbraw/zinc/34/13/32/174341332.db2.gz ZRZPJJAFXYRUCR-UHFFFAOYSA-N 0 0 243.738 2.486 10 0 BEAERN COCCNc1nc(Cl)cc(C(C)C)n1 ZINC000057331246 174341845 /nfs/dbraw/zinc/34/18/45/174341845.db2.gz HMSJLTQEUVWIIY-UHFFFAOYSA-N 0 0 229.711 2.312 10 0 BEAERN COCCOCOc1ccc(-c2ncc[nH]2)cc1 ZINC000089202511 174360891 /nfs/dbraw/zinc/36/08/91/174360891.db2.gz UVPUQIMXLMELCA-UHFFFAOYSA-N 0 0 248.282 2.076 10 0 BEAERN COCCOCc1ccc(Br)cn1 ZINC000118157746 174364680 /nfs/dbraw/zinc/36/46/80/174364680.db2.gz OIUREEJPURORHL-UHFFFAOYSA-N 0 0 246.104 2.007 10 0 BEAERN COCCSc1nc2sccc2c(N)n1 ZINC000030401161 174378207 /nfs/dbraw/zinc/37/82/07/174378207.db2.gz WUZBDAIQLIYOPU-UHFFFAOYSA-N 0 0 241.341 2.012 10 0 BEAERN COCC[C@@H](N)c1nc2ccc(C)cc2o1 ZINC000052785520 174393121 /nfs/dbraw/zinc/39/31/21/174393121.db2.gz NXZJFABQNOFBLH-SECBINFHSA-N 0 0 220.272 2.173 10 0 BEAERN COCCc1ccc(O[C@@H](C)[C@H](C)O)cc1 ZINC000044233524 174422326 /nfs/dbraw/zinc/42/23/26/174422326.db2.gz YYFBDTCHQCVGOL-QWRGUYRKSA-N 0 0 224.300 2.024 10 0 BEAERN COCCc1ccnc(N[C@@H](C)C2CC2)c1 ZINC000285457628 174423566 /nfs/dbraw/zinc/42/35/66/174423566.db2.gz JMZQHANFRJVZHA-JTQLQIEISA-N 0 0 220.316 2.481 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc2cccnc21 ZINC000171429286 174438460 /nfs/dbraw/zinc/43/84/60/174438460.db2.gz HOUXLWRSUUUIAE-SNVBAGLBSA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ncc(C(C)C)s1 ZINC000172674489 174439108 /nfs/dbraw/zinc/43/91/08/174439108.db2.gz MACYRPDTRVLACC-MRVPVSSYSA-N 0 0 242.344 2.488 10 0 BEAERN COC[C@@H](C)Nc1ccc(N)c2ncccc12 ZINC000035340525 174461974 /nfs/dbraw/zinc/46/19/74/174461974.db2.gz UNMKLJZLIZIQSY-SECBINFHSA-N 0 0 231.299 2.264 10 0 BEAERN COC[C@@H](C)Nc1cc(NC(C)=O)ccc1F ZINC000053173004 174462030 /nfs/dbraw/zinc/46/20/30/174462030.db2.gz WDSFMNVSXCEELE-MRVPVSSYSA-N 0 0 240.278 2.231 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000127735410 174528160 /nfs/dbraw/zinc/52/81/60/174528160.db2.gz FSDLYNWHBBOVMT-LURJTMIESA-N 0 0 247.216 2.325 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(C)cc(F)c1 ZINC000155299396 174528352 /nfs/dbraw/zinc/52/83/52/174528352.db2.gz JDELXZSOZRITFM-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN COCc1ccc(C(=O)N[C@@H](C)CC2CC2)o1 ZINC000112689051 174621056 /nfs/dbraw/zinc/62/10/56/174621056.db2.gz ICLAZZRHNWQWAD-VIFPVBQESA-N 0 0 237.299 2.344 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1cccc(F)n1 ZINC000050376726 174750184 /nfs/dbraw/zinc/75/01/84/174750184.db2.gz FTVHOZDENMIUBP-DTWKUNHWSA-N 0 0 210.252 2.200 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cc(Cl)nc(C)n1 ZINC000052837428 174883434 /nfs/dbraw/zinc/88/34/34/174883434.db2.gz NQEKBUMXIBHWPY-BDAKNGLRSA-N 0 0 241.722 2.418 10 0 BEAERN COc1c(C)c(OC)c(OC)c(C)c1C=O ZINC000082291685 174920357 /nfs/dbraw/zinc/92/03/57/174920357.db2.gz CKQVIVNVLKSGMC-UHFFFAOYSA-N 0 0 224.256 2.142 10 0 BEAERN COc1c(CNc2ccccc2F)c(C)nn1C ZINC000127045141 174928865 /nfs/dbraw/zinc/92/88/65/174928865.db2.gz DBPCUAQQBMHBLC-UHFFFAOYSA-N 0 0 249.289 2.488 10 0 BEAERN COc1cc(C(=O)c2ccccc2)ccn1 ZINC000002524938 174950828 /nfs/dbraw/zinc/95/08/28/174950828.db2.gz ZQSGLJSAHLZOMO-UHFFFAOYSA-N 0 0 213.236 2.321 10 0 BEAERN COc1cc(Cl)ccc1-c1cc(N)n[nH]1 ZINC000043565503 174989717 /nfs/dbraw/zinc/98/97/17/174989717.db2.gz MCKGQCVFHVJFJM-UHFFFAOYSA-N 0 0 223.663 2.321 10 0 BEAERN COc1cc(F)ccc1NC(=O)N[C@H]1C[C@H]1C ZINC000170824398 174994462 /nfs/dbraw/zinc/99/44/62/174994462.db2.gz LRZIIYMKEZLONF-XCBNKYQSSA-N 0 0 238.262 2.364 10 0 BEAERN COc1cc(NCCc2cscn2)ccc1N ZINC000104438873 175002839 /nfs/dbraw/zinc/00/28/39/175002839.db2.gz ZEBPWMFNAZOHKN-UHFFFAOYSA-N 0 0 249.339 2.389 10 0 BEAERN COc1cc(NC[C@@H](C)O)c(OC)cc1Cl ZINC000032102296 175002911 /nfs/dbraw/zinc/00/29/11/175002911.db2.gz NRWOHINULUGYAM-SSDOTTSWSA-N 0 0 245.706 2.150 10 0 BEAERN COc1cc(NCc2nccn2C)cc(OC)c1 ZINC000036804545 175003759 /nfs/dbraw/zinc/00/37/59/175003759.db2.gz GFOZWFGQCKGPPD-UHFFFAOYSA-N 0 0 247.298 2.049 10 0 BEAERN COc1cc(OC)c2[nH]c(C)c(C)c(=O)c2c1 ZINC000037947602 175008125 /nfs/dbraw/zinc/00/81/25/175008125.db2.gz JNTNNMSKFBRDDA-UHFFFAOYSA-N 0 0 233.267 2.162 10 0 BEAERN COc1cc2c(c(OC)c1)[C@H](C)C[C@@H]2O ZINC000082618431 175009377 /nfs/dbraw/zinc/00/93/77/175009377.db2.gz DCPAQQKTHYSDFQ-XCBNKYQSSA-N 0 0 208.257 2.244 10 0 BEAERN COc1cc(OC2CC2)cnc1SC ZINC000095730825 175011836 /nfs/dbraw/zinc/01/18/36/175011836.db2.gz ASJKDDIGRLITBF-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cc(OC2CC2)cc(N(C)C)c1 ZINC000095729966 175012444 /nfs/dbraw/zinc/01/24/44/175012444.db2.gz KRNDQBLEKKLFHT-UHFFFAOYSA-N 0 0 207.273 2.302 10 0 BEAERN COc1cc(SC)c(OC2CC2)cn1 ZINC000095731386 175012863 /nfs/dbraw/zinc/01/28/63/175012863.db2.gz SGHXMNXDPAVWGR-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cc([C@@H](C)Nc2ccn(C)n2)ccc1O ZINC000037560950 175014043 /nfs/dbraw/zinc/01/40/43/175014043.db2.gz QGTKEFLTVCLQFC-SECBINFHSA-N 0 0 247.298 2.307 10 0 BEAERN COc1cc2c(cc1O)OC(C)(C)CC2=O ZINC000013459405 175023718 /nfs/dbraw/zinc/02/37/18/175023718.db2.gz VWPDGYAHZLEFCQ-UHFFFAOYSA-N 0 0 222.240 2.145 10 0 BEAERN COc1cc2c(cc1OC)NC[C@H](C)C2 ZINC000011633189 175024419 /nfs/dbraw/zinc/02/44/19/175024419.db2.gz XKQCIQMILLQZIL-MRVPVSSYSA-N 0 0 207.273 2.308 10 0 BEAERN COc1cc2c(cc1OC)[C@@H](O)CCCC2 ZINC000019727050 175025986 /nfs/dbraw/zinc/02/59/86/175025986.db2.gz OUYJDHUBCSOCSR-NSHDSACASA-N 0 0 222.284 2.464 10 0 BEAERN COc1ccc(-c2n[nH]cc2C=O)cc1F ZINC000009189800 175029342 /nfs/dbraw/zinc/02/93/42/175029342.db2.gz ZSXPQGILSIMVCG-UHFFFAOYSA-N 0 0 220.203 2.037 10 0 BEAERN COc1cc2oc(C)cc(O)c-2c(=O)c1C ZINC000013484895 175029385 /nfs/dbraw/zinc/02/93/85/175029385.db2.gz RGTSAUBIQAKKLC-UHFFFAOYSA-N 0 0 220.224 2.124 10 0 endogenous,in-man BEAERN COc1ccc(-c2ccc(O)cn2)cc1OC ZINC000065355936 175034233 /nfs/dbraw/zinc/03/42/33/175034233.db2.gz IVGSGOVJWNWPHA-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN COc1ccc(-c2cnc(N)s2)c(OC)c1 ZINC000013209201 175036962 /nfs/dbraw/zinc/03/69/62/175036962.db2.gz QYEYOJMZNDONSL-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COc1ccc(-c2csc(=O)[nH]2)cc1F ZINC000034669970 175037971 /nfs/dbraw/zinc/03/79/71/175037971.db2.gz STKTVPBZXWLUKU-UHFFFAOYSA-N 0 0 225.244 2.251 10 0 BEAERN COc1ccc(-c2nc(C)co2)cc1N ZINC000070622231 175038576 /nfs/dbraw/zinc/03/85/76/175038576.db2.gz VKMLEMMZHMNTEW-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(-c2nc(CCO)cs2)cc1 ZINC000015015006 175039258 /nfs/dbraw/zinc/03/92/58/175039258.db2.gz WBVDHGRIJZAOEW-UHFFFAOYSA-N 0 0 235.308 2.354 10 0 BEAERN COc1ccc(-c2ncc(N)c(C)n2)cc1C ZINC000082326444 175040401 /nfs/dbraw/zinc/04/04/01/175040401.db2.gz PIWQYILARSKENL-UHFFFAOYSA-N 0 0 229.283 2.351 10 0 BEAERN COc1ccc(-c2nccc(N)n2)cc1Cl ZINC000071546822 175040601 /nfs/dbraw/zinc/04/06/01/175040601.db2.gz JRRLDDCSBSLYGU-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN COc1ccc(-c2noc(Cl)n2)cc1 ZINC000037926782 175043161 /nfs/dbraw/zinc/04/31/61/175043161.db2.gz JBAVKCTVTHWSTI-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN COc1ccc(-n2nnc(C(C)=O)c2C)cc1C ZINC000049531934 175044506 /nfs/dbraw/zinc/04/45/06/175044506.db2.gz SBQBAESRTFLCST-UHFFFAOYSA-N 0 0 245.282 2.095 10 0 BEAERN COc1ccc(Br)c(O)c1C ZINC000034128585 175051554 /nfs/dbraw/zinc/05/15/54/175051554.db2.gz JFUGCYORRHETOR-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COc1ccc(C(=O)CCC(C)=O)c(OC)c1 ZINC000033465674 175053525 /nfs/dbraw/zinc/05/35/25/175053525.db2.gz HHPQOLFWXAVJQB-UHFFFAOYSA-N 0 0 236.267 2.256 10 0 BEAERN COc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000336590074 175057859 /nfs/dbraw/zinc/05/78/59/175057859.db2.gz WQZLGFHQLDHYME-RNCFNFMXSA-N 0 0 249.285 2.459 10 0 BEAERN COc1ccc(C(=O)NCC(C)(C)C)c(N)c1 ZINC000075910105 175059583 /nfs/dbraw/zinc/05/95/83/175059583.db2.gz IPFQGEJZBYLELH-UHFFFAOYSA-N 0 0 236.315 2.053 10 0 BEAERN COc1ccc(C(C)=O)c(O[C@@H](C)[C@H](C)O)c1 ZINC000135374164 175068120 /nfs/dbraw/zinc/06/81/20/175068120.db2.gz QEKRGAQLOBGOLM-WPRPVWTQSA-N 0 0 238.283 2.046 10 0 BEAERN COc1ccc(C)cc1-c1n[nH]c(=S)n1C ZINC000077371006 175072124 /nfs/dbraw/zinc/07/21/24/175072124.db2.gz VFOHUDZJVDCDQV-UHFFFAOYSA-N 0 0 235.312 2.462 10 0 BEAERN COc1ccc(C)cc1-c1coc(N)n1 ZINC000050266262 175072155 /nfs/dbraw/zinc/07/21/55/175072155.db2.gz XRKXSDUXDNSGDL-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(C)cc1NC[C@H]1CCOC1 ZINC000019914525 175078549 /nfs/dbraw/zinc/07/85/49/175078549.db2.gz KFCWAKYVVBGSQH-LLVKDONJSA-N 0 0 221.300 2.452 10 0 BEAERN COc1ccc(C)cc1[C@@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000077427170 175080383 /nfs/dbraw/zinc/08/03/83/175080383.db2.gz NQYCKOHYNSRPRX-CYBMUJFWSA-N 0 0 249.310 2.129 10 0 BEAERN COc1ccc(COCCCC(N)=S)cc1 ZINC000019965661 175113174 /nfs/dbraw/zinc/11/31/74/175113174.db2.gz HXSKAFQJRKNVAF-UHFFFAOYSA-N 0 0 239.340 2.278 10 0 BEAERN COc1ccc(CSc2ncccn2)cc1N ZINC000021012304 175115258 /nfs/dbraw/zinc/11/52/58/175115258.db2.gz RMKKGVXTADHBPJ-UHFFFAOYSA-N 0 0 247.323 2.360 10 0 BEAERN COc1ccc(C[C@H](C)C(C)=O)cc1OC ZINC000041239790 175116360 /nfs/dbraw/zinc/11/63/60/175116360.db2.gz WCNQEKBOFSDJMH-VIFPVBQESA-N 0 0 222.284 2.471 10 0 BEAERN COc1ccc(Cl)c(NC[C@@H](C)O)c1 ZINC000043317570 175119036 /nfs/dbraw/zinc/11/90/36/175119036.db2.gz ZWKZVBISARDRRZ-SSDOTTSWSA-N 0 0 215.680 2.141 10 0 BEAERN COc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H]1C ZINC000075529199 175120639 /nfs/dbraw/zinc/12/06/39/175120639.db2.gz AJBSZTKMQBMHRS-XCBNKYQSSA-N 0 0 239.702 2.487 10 0 BEAERN COc1ccc(Cn2cc(Cl)cn2)cc1N ZINC000038053304 175123564 /nfs/dbraw/zinc/12/35/64/175123564.db2.gz GMADHROYGPAZQY-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN COc1ccc(N)c(-n2nc(C)cc2C)c1 ZINC000075627784 175136784 /nfs/dbraw/zinc/13/67/84/175136784.db2.gz NHJKHCORPFNECK-UHFFFAOYSA-N 0 0 217.272 2.080 10 0 BEAERN COc1ccc(N)cc1Oc1ccncc1 ZINC000036667275 175138624 /nfs/dbraw/zinc/13/86/24/175138624.db2.gz YGFZUABVYPLTPH-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccc(NC(=O)c2cc(N)c[nH]2)cc1C ZINC000049528094 175147300 /nfs/dbraw/zinc/14/73/00/175147300.db2.gz SYZSSMJWDMAFAW-UHFFFAOYSA-N 0 0 245.282 2.166 10 0 BEAERN COc1ccc(NCC(C)(C)CO)cc1OC ZINC000082711408 175150385 /nfs/dbraw/zinc/15/03/85/175150385.db2.gz ZOBTUPJMFZFXEO-UHFFFAOYSA-N 0 0 239.315 2.134 10 0 BEAERN COc1ccc(NC[C@@H]2CCCO2)c(OC)c1 ZINC000020041017 175151833 /nfs/dbraw/zinc/15/18/33/175151833.db2.gz BRELCMKRSBVVIU-NSHDSACASA-N 0 0 237.299 2.295 10 0 BEAERN COc1ccc(NCc2cncnc2)cc1 ZINC000054767004 175152138 /nfs/dbraw/zinc/15/21/38/175152138.db2.gz HXRMHPHTQNXLDP-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccc(NCc2ccc[nH]2)cc1O ZINC000051789030 175152788 /nfs/dbraw/zinc/15/27/88/175152788.db2.gz NBFZSRWWZOISHB-UHFFFAOYSA-N 0 0 218.256 2.341 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@H]2O)cc1 ZINC000037689972 175155257 /nfs/dbraw/zinc/15/52/57/175155257.db2.gz WNMKUSDJPFVKRD-NWDGAFQWSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000061567665 175155433 /nfs/dbraw/zinc/15/54/33/175155433.db2.gz BZUBLJIRYOIHAJ-STQMWFEESA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(O)c2c1C[C@H](C(C)=O)CC2 ZINC000082288484 175160488 /nfs/dbraw/zinc/16/04/88/175160488.db2.gz QPQWDESJQFOJBV-SECBINFHSA-N 0 0 220.268 2.095 10 0 BEAERN COc1ccc(OC)c(-c2cc(N)nc(C)n2)c1 ZINC000071559722 175162685 /nfs/dbraw/zinc/16/26/85/175162685.db2.gz YDNSXMRXXIKARH-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(OC)c(-c2noc(C)c2CO)c1 ZINC000057537505 175163453 /nfs/dbraw/zinc/16/34/53/175163453.db2.gz AJJJBVVKYQCYEW-UHFFFAOYSA-N 0 0 249.266 2.160 10 0 BEAERN COc1ccc(OC)c(-c2cnc([C@H](C)N)o2)c1 ZINC000011587082 175163592 /nfs/dbraw/zinc/16/35/92/175163592.db2.gz UXIDDUVCXJRELB-QMMMGPOBSA-N 0 0 248.282 2.379 10 0 BEAERN COc1ccc(OC)c(NCCn2cccn2)c1 ZINC000049314071 175167018 /nfs/dbraw/zinc/16/70/18/175167018.db2.gz PWVXYFAQDISGEF-UHFFFAOYSA-N 0 0 247.298 2.012 10 0 BEAERN COc1ccc(OC)c([C@H]2CC[C@@H](O)C2)c1 ZINC000057514802 175169108 /nfs/dbraw/zinc/16/91/08/175169108.db2.gz IKQCBFYFEMGXDD-VHSXEESVSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc(OCCNCC(F)(F)F)cc1 ZINC000049801840 175172646 /nfs/dbraw/zinc/17/26/46/175172646.db2.gz QSRDYFSJJCFJSH-UHFFFAOYSA-N 0 0 249.232 2.226 10 0 BEAERN COc1ccc(Oc2nc(C)cc(C)n2)c(N)c1 ZINC000035676121 175174000 /nfs/dbraw/zinc/17/40/00/175174000.db2.gz XGRUVEOYUMDHIQ-UHFFFAOYSA-N 0 0 245.282 2.477 10 0 BEAERN COc1ccc(Oc2c[n+]([O-])ccc2C)cc1 ZINC000027986072 175174052 /nfs/dbraw/zinc/17/40/52/175174052.db2.gz DYOGSZCOQYZPCA-UHFFFAOYSA-N 0 0 231.251 2.429 10 0 BEAERN COc1ccc([C@@H]([NH3+])CCC(=O)[O-])cc1Cl ZINC000020522306 175179300 /nfs/dbraw/zinc/17/93/00/175179300.db2.gz YZUPXNKRDKFEQB-VIFPVBQESA-N 0 0 243.690 2.213 10 0 BEAERN COc1ccc([C@H](O)C2CC2)cc1OC ZINC000032011939 175193476 /nfs/dbraw/zinc/19/34/76/175193476.db2.gz AXVARLZTLWDSPD-GFCCVEGCSA-N 0 0 208.257 2.147 10 0 BEAERN COc1ccc([C@H](O)c2ccccc2)c(O)c1 ZINC000021951361 175193807 /nfs/dbraw/zinc/19/38/07/175193807.db2.gz GSVOXUSYDITLIP-CQSZACIVSA-N 0 0 230.263 2.483 10 0 BEAERN COc1ccc2c(c1)[nH]cc2-c1ccnc(N)n1 ZINC000097758375 175202555 /nfs/dbraw/zinc/20/25/55/175202555.db2.gz UXLNLEOFOWUONW-UHFFFAOYSA-N 0 0 240.266 2.216 10 0 BEAERN COc1ccc2[nH]cc(CCOC(C)=O)c2c1 ZINC000005161430 175203107 /nfs/dbraw/zinc/20/31/07/175203107.db2.gz HVYLYRVBNPNNMU-UHFFFAOYSA-N 0 0 233.267 2.282 10 0 BEAERN COc1ccc2c(c1)NC(=O)CCS2 ZINC000034160139 175212035 /nfs/dbraw/zinc/21/20/35/175212035.db2.gz GOCGTBRREUIQSO-UHFFFAOYSA-N 0 0 209.270 2.130 10 0 BEAERN COc1ccc2c(c1)nc(C=O)n2C1CC1 ZINC000076080892 175218798 /nfs/dbraw/zinc/21/87/98/175218798.db2.gz MCEOCNAHNSHXFT-UHFFFAOYSA-N 0 0 216.240 2.192 10 0 BEAERN COc1ccc2c(c1)nc(CO)n2C(C)C ZINC000074298156 175219761 /nfs/dbraw/zinc/21/97/61/175219761.db2.gz OWRXYQMUJUFMPN-UHFFFAOYSA-N 0 0 220.272 2.118 10 0 BEAERN COc1ccc2cc(NC(C)=O)cnc2c1 ZINC000065008825 175224548 /nfs/dbraw/zinc/22/45/48/175224548.db2.gz LELIBHFDIPWCSM-UHFFFAOYSA-N 0 0 216.240 2.202 10 0 BEAERN COc1ccc2cccc(CCC(N)=O)c2c1 ZINC000013781823 175225798 /nfs/dbraw/zinc/22/57/98/175225798.db2.gz OFYMNOMHPRMYHX-UHFFFAOYSA-N 0 0 229.279 2.266 10 0 BEAERN COc1ccc2nc(-c3ccccc3)cn2n1 ZINC000196663910 175226824 /nfs/dbraw/zinc/22/68/24/175226824.db2.gz AXELIRIAPJVDCX-UHFFFAOYSA-N 0 0 225.251 2.405 10 0 BEAERN COc1ccc2sc(=O)[nH]c2c1Cl ZINC000045236892 175232498 /nfs/dbraw/zinc/23/24/98/175232498.db2.gz COXVUNARAGQCMT-UHFFFAOYSA-N 0 0 215.661 2.252 10 0 BEAERN COc1cccc(-c2cnc(N)s2)c1 ZINC000038069125 175235060 /nfs/dbraw/zinc/23/50/60/175235060.db2.gz JOLWNHHMZCLLMO-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1cccc(C(=O)c2ccc[nH]2)c1 ZINC000082564058 175247304 /nfs/dbraw/zinc/24/73/04/175247304.db2.gz QGTNWBGLSZSWEZ-UHFFFAOYSA-N 0 0 201.225 2.254 10 0 BEAERN COc1cccc(Cc2nc(CO)cs2)c1 ZINC000057901019 175272844 /nfs/dbraw/zinc/27/28/44/175272844.db2.gz NGJPUKLYHJJYHF-UHFFFAOYSA-N 0 0 235.308 2.235 10 0 BEAERN COc1cccc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000190250040 175277672 /nfs/dbraw/zinc/27/76/72/175277672.db2.gz QDERATYTJLBLGQ-GWCFXTLKSA-N 0 0 249.310 2.449 10 0 BEAERN COc1cccc(Nc2csc(=O)[nH]2)c1 ZINC000020391651 175277927 /nfs/dbraw/zinc/27/79/27/175277927.db2.gz RPCIDSVIAZFWML-UHFFFAOYSA-N 0 0 222.269 2.372 10 0 BEAERN COc1cccc(NCc2cccc(C)n2)n1 ZINC000104101795 175279482 /nfs/dbraw/zinc/27/94/82/175279482.db2.gz AUESJPMKSCSYPI-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COc1cccc(NCc2ccccn2)n1 ZINC000082458164 175279514 /nfs/dbraw/zinc/27/95/14/175279514.db2.gz ULHVGQMEMQDNPS-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1cccc(N[C@H]2CCCC[C@@H]2O)c1 ZINC000037691290 175280214 /nfs/dbraw/zinc/28/02/14/175280214.db2.gz OVTBENIXXOONJI-STQMWFEESA-N 0 0 221.300 2.411 10 0 BEAERN COc1cccc(OC(F)F)c1OC ZINC000041212446 175280513 /nfs/dbraw/zinc/28/05/13/175280513.db2.gz ITEXXRNGJOUPOD-UHFFFAOYSA-N 0 0 204.172 2.305 10 0 BEAERN COc1cccc(OC)c1-c1nnc(Cl)o1 ZINC000075484374 175281152 /nfs/dbraw/zinc/28/11/52/175281152.db2.gz YZSAWMZFFDTNQJ-UHFFFAOYSA-N 0 0 240.646 2.407 10 0 BEAERN COc1cccc(OC)c1/C=C(\C)[N+](=O)[O-] ZINC000033845462 175281247 /nfs/dbraw/zinc/28/12/47/175281247.db2.gz BTHUWEKTWWOHCT-BQYQJAHWSA-N 0 0 223.228 2.341 10 0 BEAERN COc1cccc([C@@H](O)c2ccncc2)c1 ZINC000035956366 175289931 /nfs/dbraw/zinc/28/99/31/175289931.db2.gz NQSVTSGCCQLKHQ-ZDUSSCGKSA-N 0 0 215.252 2.172 10 0 BEAERN COc1cccc([C@@H]2S[C@H](C)C(=O)N2C)c1 ZINC000045030044 175291486 /nfs/dbraw/zinc/29/14/86/175291486.db2.gz CIMGNDBUESRXOC-PELKAZGASA-N 0 0 237.324 2.288 10 0 BEAERN COc1cccc2c1C[C@H](NC(=O)C(C)C)CC2 ZINC000013833090 175303148 /nfs/dbraw/zinc/30/31/48/175303148.db2.gz HZTOTRYTWHWECE-GFCCVEGCSA-N 0 0 247.338 2.325 10 0 BEAERN COc1cccc2nc(C)c(Br)n21 ZINC000096988538 175307836 /nfs/dbraw/zinc/30/78/36/175307836.db2.gz UJOMGLHVWJSBPN-UHFFFAOYSA-N 0 0 241.088 2.414 10 0 BEAERN COc1ccccc1-c1ccc(CO)cn1 ZINC000039927628 175309131 /nfs/dbraw/zinc/30/91/31/175309131.db2.gz CCRKHGQWAQQTEP-UHFFFAOYSA-N 0 0 215.252 2.250 10 0 BEAERN COc1ccccc1-c1cnc(CO)s1 ZINC000045206041 175309903 /nfs/dbraw/zinc/30/99/03/175309903.db2.gz GPCCSLRJDDMWIH-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1ccccc1CNc1cn[nH]c1 ZINC000035764071 175330879 /nfs/dbraw/zinc/33/08/79/175330879.db2.gz GOVZSSGISRRMLH-UHFFFAOYSA-N 0 0 203.245 2.030 10 0 BEAERN COc1ccccc1NCCn1ccnc1C ZINC000049329724 175337720 /nfs/dbraw/zinc/33/77/20/175337720.db2.gz HZWDXKQJCLAFAD-UHFFFAOYSA-N 0 0 231.299 2.312 10 0 BEAERN COc1ccccc1NCc1c[nH]c(C)n1 ZINC000054797778 175337821 /nfs/dbraw/zinc/33/78/21/175337821.db2.gz PIZYNDAWJOTSDM-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccccc1Sc1c[nH]nc1N ZINC000041030460 175343792 /nfs/dbraw/zinc/34/37/92/175343792.db2.gz HRJKKPNPXFAIRW-UHFFFAOYSA-N 0 0 221.285 2.152 10 0 BEAERN COc1ccccc1[C@@H](C)n1nccc1N ZINC000019262155 175346271 /nfs/dbraw/zinc/34/62/71/175346271.db2.gz QBPHHRXMTUSKCZ-SECBINFHSA-N 0 0 217.272 2.083 10 0 BEAERN COc1ccccc1[C@H]([NH2+]CC(C)C)C(=O)[O-] ZINC000037965511 175353856 /nfs/dbraw/zinc/35/38/56/175353856.db2.gz FMNVVKIEBXISOT-LBPRGKRZSA-N 0 0 237.299 2.067 10 0 BEAERN COc1ccccc1[C@](C)(O)c1cncc(F)c1 ZINC000049576978 175356248 /nfs/dbraw/zinc/35/62/48/175356248.db2.gz BMPVEPCSUXXRCQ-CQSZACIVSA-N 0 0 247.269 2.485 10 0 BEAERN COc1ccnc(N[C@@H](C)c2ccco2)n1 ZINC000162295828 175367096 /nfs/dbraw/zinc/36/70/96/175367096.db2.gz BALBZUHFGBBYPI-QMMMGPOBSA-N 0 0 219.244 2.251 10 0 BEAERN COc1ccnc(N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000049056121 175368166 /nfs/dbraw/zinc/36/81/66/175368166.db2.gz ZSJAMYWYPFTEJN-NEPJUHHUSA-N 0 0 241.294 2.453 10 0 BEAERN COc1ccnc(Oc2ccc([C@@H](C)O)cc2)n1 ZINC000058825651 175368281 /nfs/dbraw/zinc/36/82/81/175368281.db2.gz IAIJGAASMNTKKI-SECBINFHSA-N 0 0 246.266 2.331 10 0 BEAERN COc1ccnc2nc(SC)sc21 ZINC000084234092 175368860 /nfs/dbraw/zinc/36/88/60/175368860.db2.gz XCYLSKBJEYERJK-UHFFFAOYSA-N 0 0 212.299 2.422 10 0 BEAERN COc1cnc2c(c1)c(Br)cn2C ZINC000079019741 175382630 /nfs/dbraw/zinc/38/26/30/175382630.db2.gz JXGMUCXKEBLALY-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1nc(N(C)Cc2ccc(C)o2)ccc1N ZINC000035699220 175392602 /nfs/dbraw/zinc/39/26/02/175392602.db2.gz SPERYXFTUNIQMG-UHFFFAOYSA-N 0 0 247.298 2.210 10 0 BEAERN COc1nc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000072192420 175392736 /nfs/dbraw/zinc/39/27/36/175392736.db2.gz OPYDNHIRDRPGEM-UHFFFAOYSA-N 0 0 239.637 2.340 10 0 BEAERN COc1nc(N(C)C2CCCC2)ccc1N ZINC000037083986 175392838 /nfs/dbraw/zinc/39/28/38/175392838.db2.gz ZBHPCUHJWKOPBX-UHFFFAOYSA-N 0 0 221.304 2.051 10 0 BEAERN COc1nc(Oc2ccccc2)ccc1N ZINC000037068683 175396897 /nfs/dbraw/zinc/39/68/97/175396897.db2.gz VVFNCJKEOTZKHC-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ncc(Cl)c(OC)c1Cl ZINC000000330998 175399913 /nfs/dbraw/zinc/39/99/13/175399913.db2.gz TYJNDMAPSJGTJW-UHFFFAOYSA-N 0 0 208.044 2.406 10 0 BEAERN COc1ncccc1C(=O)N[C@@H](C)CC1CC1 ZINC000112604263 175405764 /nfs/dbraw/zinc/40/57/64/175405764.db2.gz BUBHPHOBLBIWIS-VIFPVBQESA-N 0 0 234.299 2.009 10 0 BEAERN CSCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000048322634 175460314 /nfs/dbraw/zinc/46/03/14/175460314.db2.gz ADFYVKPQEIVLNF-QMMMGPOBSA-N 0 0 249.339 2.103 10 0 BEAERN CSCc1noc(NC(C)(C)C)n1 ZINC000054497307 175533973 /nfs/dbraw/zinc/53/39/73/175533973.db2.gz HDNIEEDEEDDPDX-UHFFFAOYSA-N 0 0 201.295 2.143 10 0 BEAERN CS[C@H](C)CNC(=O)Cc1ccc(C)s1 ZINC000130127844 175561653 /nfs/dbraw/zinc/56/16/53/175561653.db2.gz SPXBHUUWPAFIDG-SECBINFHSA-N 0 0 243.397 2.467 10 0 BEAERN C[C@@H](COc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000032598411 175762917 /nfs/dbraw/zinc/76/29/17/175762917.db2.gz WPVGXCWOXHYYND-JTQLQIEISA-N 0 0 235.327 2.484 10 0 BEAERN C[C@@H](CSC[C@@H](O)CO)C1CCCCC1 ZINC000310549562 175764511 /nfs/dbraw/zinc/76/45/11/175764511.db2.gz FXWAXRWTXPZIRL-JQWIXIFHSA-N 0 0 232.389 2.289 10 0 BEAERN C[C@@H]([NH3+])c1cc(Br)cc(C(=O)[O-])c1 ZINC000083592940 175816346 /nfs/dbraw/zinc/81/63/46/175816346.db2.gz OEQLBKKMPRLWNT-RXMQYKEDSA-N 0 0 244.088 2.167 10 0 BEAERN C[C@@H](NC(=O)c1cc(N)ccc1Cl)C1CC1 ZINC000035732616 175848103 /nfs/dbraw/zinc/84/81/03/175848103.db2.gz UQXXUEJNMBREKU-SSDOTTSWSA-N 0 0 238.718 2.451 10 0 BEAERN C[C@@H](NC(=O)c1cccc(N)c1)c1cccnc1 ZINC000035691874 175849886 /nfs/dbraw/zinc/84/98/86/175849886.db2.gz BCSFUULWNOOLJH-SNVBAGLBSA-N 0 0 241.294 2.155 10 0 BEAERN C[C@@H](N[C@H](CO)C(F)(F)F)c1ccccc1 ZINC000068576974 175922215 /nfs/dbraw/zinc/92/22/15/175922215.db2.gz WPRAZMSOEFRBNF-PSASIEDQSA-N 0 0 233.233 2.260 10 0 BEAERN C[C@@H](Nc1ncc(N)cn1)c1ccccc1F ZINC000049528865 175937372 /nfs/dbraw/zinc/93/73/72/175937372.db2.gz KAPVTKPRPJOHPY-MRVPVSSYSA-N 0 0 232.262 2.371 10 0 BEAERN C[C@@H](Nc1nccc(CO)n1)c1cccs1 ZINC000336778543 175937713 /nfs/dbraw/zinc/93/77/13/175937713.db2.gz LOVUCJDNUGTYNO-MRVPVSSYSA-N 0 0 235.312 2.204 10 0 BEAERN C[C@@H](O)CC(=O)Nc1ccc(Cl)cc1 ZINC000021952034 175946001 /nfs/dbraw/zinc/94/60/01/175946001.db2.gz VIMNRPYQDAYJLK-SSDOTTSWSA-N 0 0 213.664 2.049 10 0 BEAERN C[C@@H](O)CCC(=O)N[C@H](C)c1ccccc1 ZINC000049818389 175946722 /nfs/dbraw/zinc/94/67/22/175946722.db2.gz KSWCVBJPYNSMRK-GHMZBOCLSA-N 0 0 221.300 2.025 10 0 BEAERN C[C@@H](O)CSc1ccc(Cl)cc1N ZINC000037688072 175986450 /nfs/dbraw/zinc/98/64/50/175986450.db2.gz GWEQCNOGQVUTMH-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN C[C@@H](OCCn1ccc(N)n1)c1ccccc1 ZINC000071378895 176002070 /nfs/dbraw/zinc/00/20/70/176002070.db2.gz KQYUDGFMSGBDTL-LLVKDONJSA-N 0 0 231.299 2.243 10 0 BEAERN C[C@@H](OCC1CC1)C(=O)Nc1cccc(N)c1 ZINC000019870531 176002404 /nfs/dbraw/zinc/00/24/04/176002404.db2.gz HPNQNSMRRNMEKM-SECBINFHSA-N 0 0 234.299 2.022 10 0 BEAERN C[C@@H](OCc1nnsc1N)c1ccccc1 ZINC000050831750 176003113 /nfs/dbraw/zinc/00/31/13/176003113.db2.gz FHBHUWCNZRZIKV-MRVPVSSYSA-N 0 0 235.312 2.398 10 0 BEAERN C[C@@H](Sc1ccc(N)cc1)C(=O)NC1CC1 ZINC000016971927 176009399 /nfs/dbraw/zinc/00/93/99/176009399.db2.gz BASFGXZIFDNDIL-MRVPVSSYSA-N 0 0 236.340 2.028 10 0 BEAERN C[C@@H](c1cccc(N)c1)N(C)C(=O)C1CC1 ZINC000036738240 176018286 /nfs/dbraw/zinc/01/82/86/176018286.db2.gz QZBRYVLYPJKDBS-VIFPVBQESA-N 0 0 218.300 2.198 10 0 BEAERN C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000082366583 176022392 /nfs/dbraw/zinc/02/23/92/176022392.db2.gz WUQVGKNYSGCODM-CMPLNLGQSA-N 0 0 219.284 2.297 10 0 BEAERN C[C@@H](c1ccccc1)n1cccc(C=O)c1=O ZINC000039219967 176024073 /nfs/dbraw/zinc/02/40/73/176024073.db2.gz TVBRTPGPOSLUKE-NSHDSACASA-N 0 0 227.263 2.270 10 0 BEAERN C[C@@H](c1ccccn1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000075981006 176026902 /nfs/dbraw/zinc/02/69/02/176026902.db2.gz LSPHEXQXWJEJRA-SCVCMEIPSA-N 0 0 233.315 2.192 10 0 BEAERN C[C@@H]1CC(=O)[C@@H](C)N(Cc2ccccc2)C1 ZINC000068592979 176050791 /nfs/dbraw/zinc/05/07/91/176050791.db2.gz FABAJOBMSRCVJN-VXGBXAGGSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccnn1C ZINC000118946626 176078433 /nfs/dbraw/zinc/07/84/33/176078433.db2.gz HCMOVFQCAGQBMJ-YPMHNXCESA-N 0 0 249.358 2.048 10 0 BEAERN C[C@@H]1CCCC[C@@H]1Oc1cc(C(N)=O)ccc1N ZINC000103954668 176082541 /nfs/dbraw/zinc/08/25/41/176082541.db2.gz VIRNMTOUPGFUCY-SKDRFNHKSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(N)c[nH]1 ZINC000042828508 176084712 /nfs/dbraw/zinc/08/47/12/176084712.db2.gz JJVDCFJSRZNTBT-ZJUUUORDSA-N 0 0 235.331 2.153 10 0 BEAERN C[C@@H]1CCCC[C@H]1OCCC(N)=S ZINC000019518638 176089277 /nfs/dbraw/zinc/08/92/77/176089277.db2.gz ZGNFLASELDJQKW-RKDXNWHRSA-N 0 0 201.335 2.258 10 0 BEAERN C[C@@H]1CCCC[C@H]1Nc1ccc(=O)n(C)c1 ZINC000037785433 176089319 /nfs/dbraw/zinc/08/93/19/176089319.db2.gz BTBJBLXODODQHG-ZYHUDNBSSA-N 0 0 220.316 2.376 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2cc(N)cc(N)c2)CC1 ZINC000104356306 176094983 /nfs/dbraw/zinc/09/49/83/176094983.db2.gz QESNANMHCFNROS-SNVBAGLBSA-N 0 0 247.342 2.113 10 0 BEAERN C[C@@H]1CCC[N@H+](CC2(C(=O)[O-])CCCC2)C1 ZINC000049820200 176096371 /nfs/dbraw/zinc/09/63/71/176096371.db2.gz SQYKAFRAFHJISF-LLVKDONJSA-N 0 0 225.332 2.363 10 0 BEAERN C[C@@H]1CCCN1C(=O)Nc1cccc(N)c1 ZINC000037912313 176105886 /nfs/dbraw/zinc/10/58/86/176105886.db2.gz CJOSZVDIARDNKL-SECBINFHSA-N 0 0 219.288 2.285 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](CCO)C2)C1 ZINC000340262503 176112976 /nfs/dbraw/zinc/11/29/76/176112976.db2.gz FEBWWEDXDKQAEQ-FRRDWIJNSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000300286350 176126737 /nfs/dbraw/zinc/12/67/37/176126737.db2.gz MPXDSSRIEKSIBY-YVECIDJPSA-N 0 0 239.359 2.232 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000304293206 176135815 /nfs/dbraw/zinc/13/58/15/176135815.db2.gz GVMJMQVBCATAOS-YVECIDJPSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H](OC(=O)c2cncc(N)c2)C1 ZINC000062947492 176146420 /nfs/dbraw/zinc/14/64/20/176146420.db2.gz CCJFJRDOJLAVDP-SKDRFNHKSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC1CCC(CO)CC1 ZINC000345187480 176146713 /nfs/dbraw/zinc/14/67/13/176146713.db2.gz LXVNPTHQEZLQID-IKWCTNDRSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H](c2nc(-c3ncon3)no2)C1 ZINC000329632661 176146852 /nfs/dbraw/zinc/14/68/52/176146852.db2.gz WVMVBWXOGBPGBB-SFYZADRCSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000336328245 176146884 /nfs/dbraw/zinc/14/68/84/176146884.db2.gz CJSVQCNKOSMTII-VXGBXAGGSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1CCO ZINC000300240104 176147028 /nfs/dbraw/zinc/14/70/28/176147028.db2.gz IEIUKXJBWDOQTE-FRRDWIJNSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040717082 176168124 /nfs/dbraw/zinc/16/81/24/176168124.db2.gz PFBBWTUNHBOOLK-LLVKDONJSA-N 0 0 245.322 2.146 10 0 BEAERN C[C@@H]1CCO[C@H]1c1nc(C(C)(C)C)no1 ZINC000128725523 176193515 /nfs/dbraw/zinc/19/35/15/176193515.db2.gz VQAVMLDVASUYIM-HTQZYQBOSA-N 0 0 210.277 2.465 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2F)O1 ZINC000122740616 176195479 /nfs/dbraw/zinc/19/54/79/176195479.db2.gz HEWCKYOBPZWSML-SKDRFNHKSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2)O1 ZINC000125167594 176196737 /nfs/dbraw/zinc/19/67/37/176196737.db2.gz LCNVJIYMPNLIKG-HQJQHLMTSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H](C)O1 ZINC000336231476 176241966 /nfs/dbraw/zinc/24/19/66/176241966.db2.gz MCUQUSTYEPBQER-RKDXNWHRSA-N 0 0 249.301 2.304 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C)C1 ZINC000041315214 176257100 /nfs/dbraw/zinc/25/71/00/176257100.db2.gz RZGJASYNSJILKF-CHWSQXEVSA-N 0 0 247.338 2.113 10 0 BEAERN C[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000005530215 176261044 /nfs/dbraw/zinc/26/10/44/176261044.db2.gz CIVJSJKSCZYHNL-NXEZZACHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2C=O)CCCO1 ZINC000061919228 176319022 /nfs/dbraw/zinc/31/90/22/176319022.db2.gz AGTXQAHMBWXKDR-SNVBAGLBSA-N 0 0 237.274 2.253 10 0 BEAERN C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCCF ZINC000367211692 176323470 /nfs/dbraw/zinc/32/34/70/176323470.db2.gz MJRBMBDYQXSWDF-OLZOCXBDSA-N 0 0 228.355 2.295 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccccc1F ZINC000040634499 176345945 /nfs/dbraw/zinc/34/59/45/176345945.db2.gz OBOYLOHNVICYRK-NXEZZACHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccnc(Cl)c1 ZINC000172668433 176347482 /nfs/dbraw/zinc/34/74/82/176347482.db2.gz HYDPABTYYGXPJC-NXEZZACHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1COc2cc3oc(=O)ccc3cc21 ZINC000013556050 176348290 /nfs/dbraw/zinc/34/82/90/176348290.db2.gz YYABNLNVASVPDO-SSDOTTSWSA-N 0 0 202.209 2.289 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1cccc(N(C)C)c1 ZINC000188885686 176399449 /nfs/dbraw/zinc/39/94/49/176399449.db2.gz CUAMGLJZMLZDQS-RISCZKNCSA-N 0 0 246.354 2.210 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000151220570 176399913 /nfs/dbraw/zinc/39/99/13/176399913.db2.gz ZEFNWVPVJWZHCV-HQJQHLMTSA-N 0 0 225.238 2.032 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Cl)c(N)c1 ZINC000052268199 176403382 /nfs/dbraw/zinc/40/33/82/176403382.db2.gz NPFNKENFJQUSAQ-LDWIPMOCSA-N 0 0 224.691 2.060 10 0 BEAERN C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CC(=O)[O-] ZINC000363259645 176430255 /nfs/dbraw/zinc/43/02/55/176430255.db2.gz PSIFWVVGJXWGNP-SCZZXKLOSA-N 0 0 225.313 2.011 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccnc(Cl)c1 ZINC000134402488 176474507 /nfs/dbraw/zinc/47/45/07/176474507.db2.gz DOQIOVLUKJLRGU-CBAPKCEASA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nnc(C(F)F)s1 ZINC000270750420 176474962 /nfs/dbraw/zinc/47/49/62/176474962.db2.gz JSPKSBIJIXDRMG-WHFBIAKZSA-N 0 0 235.259 2.065 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nccc2occc21 ZINC000231331217 176482487 /nfs/dbraw/zinc/48/24/87/176482487.db2.gz SUAIRCRHEHDRQC-WCBMZHEXSA-N 0 0 218.256 2.417 10 0 BEAERN C[C@@](CO)(Nc1cccc(F)c1)C1CC1 ZINC000038119113 176510051 /nfs/dbraw/zinc/51/00/51/176510051.db2.gz JSBYJMVLRUVMIV-LBPRGKRZSA-N 0 0 209.264 2.399 10 0 BEAERN C[C@H](C[NH2+][C@@H]1CCCc2sccc21)C(=O)[O-] ZINC000061362337 176683192 /nfs/dbraw/zinc/68/31/92/176683192.db2.gz LQVSEPMAQADUCX-PSASIEDQSA-N 0 0 239.340 2.436 10 0 BEAERN C[C@H](COCc1ccccc1)Nc1cnccn1 ZINC000172780905 176713947 /nfs/dbraw/zinc/71/39/47/176713947.db2.gz KYEZABMGNWXEKG-GFCCVEGCSA-N 0 0 243.310 2.494 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C ZINC000041314810 176723968 /nfs/dbraw/zinc/72/39/68/176723968.db2.gz YZPNATOATLVHPG-CHWSQXEVSA-N 0 0 247.338 2.113 10 0 BEAERN C[C@H](Cc1ccco1)NC(=O)c1ccccc1N ZINC000038093252 176724929 /nfs/dbraw/zinc/72/49/29/176724929.db2.gz WXKPXORUSCWKKU-SNVBAGLBSA-N 0 0 244.294 2.223 10 0 BEAERN C[C@H](Cn1cccn1)Nc1cc(N)cc(F)c1 ZINC000042539191 176731497 /nfs/dbraw/zinc/73/14/97/176731497.db2.gz BJGZJXBGFMRZGV-SECBINFHSA-N 0 0 234.278 2.105 10 0 BEAERN C[C@H](NC(=O)C(C)(C)C)c1cccc(N)c1 ZINC000037177519 176785848 /nfs/dbraw/zinc/78/58/48/176785848.db2.gz UFYSJNNJVHFKJR-VIFPVBQESA-N 0 0 220.316 2.492 10 0 BEAERN C[C@H](Nc1cnn(C)c1)c1ccc2c(c1)OCO2 ZINC000035737742 176938574 /nfs/dbraw/zinc/93/85/74/176938574.db2.gz QMUZXNQSDGAZKM-VIFPVBQESA-N 0 0 245.282 2.322 10 0 BEAERN C[C@@H](Oc1ccc2c(c1)CCC2)[C@H](C)O ZINC000044232446 177005460 /nfs/dbraw/zinc/00/54/60/177005460.db2.gz FBSVZCAODRTXRK-VHSXEESVSA-N 0 0 206.285 2.323 10 0 BEAERN C[C@@H](Nc1ncccc1Br)[C@H](C)O ZINC000306518128 177005817 /nfs/dbraw/zinc/00/58/17/177005817.db2.gz BOOISHWYHRTRDK-RQJHMYQMSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)[C@H](C)Nc1cncc(Br)c1 ZINC000301009831 177012283 /nfs/dbraw/zinc/01/22/83/177012283.db2.gz XKGQXCOBNNUCLJ-BQBZGAKWSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)[C@H](C)Oc1ccc2cccnc2c1 ZINC000229049050 177012509 /nfs/dbraw/zinc/01/25/09/177012509.db2.gz IPPNTYNLLIJSLN-UWVGGRQHSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccncc1Br ZINC000306525780 177012549 /nfs/dbraw/zinc/01/25/49/177012549.db2.gz RIRZVTHMASDRTG-BQBZGAKWSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)[C@H](C)Oc1cccc2cccnc21 ZINC000044232782 177012654 /nfs/dbraw/zinc/01/26/54/177012654.db2.gz VPUKOZQERFYCSZ-UWVGGRQHSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@H](O)c1ccc(OCCn2ccnc2)cc1 ZINC000035626261 177017127 /nfs/dbraw/zinc/01/71/27/177017127.db2.gz HGECRAPKCVJXAS-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN C[C@H](O)c1cccc(NC(=O)[C@H]2CCCCO2)c1 ZINC000050970676 177017145 /nfs/dbraw/zinc/01/71/45/177017145.db2.gz UBHKUGSMSFVKGR-GXFFZTMASA-N 0 0 249.310 2.248 10 0 BEAERN C[C@H](O)c1cccc(Oc2ncccn2)c1 ZINC000058825637 177017399 /nfs/dbraw/zinc/01/73/99/177017399.db2.gz UGFJYJMMIVYCDG-VIFPVBQESA-N 0 0 216.240 2.322 10 0 BEAERN C[C@H](O)c1cnc2c(Cl)cc(F)cn12 ZINC000082694224 177017926 /nfs/dbraw/zinc/01/79/26/177017926.db2.gz DGMLWHRONWRTNU-YFKPBYRVSA-N 0 0 214.627 2.180 10 0 BEAERN C[C@H](OCCn1ccc(N)n1)c1ccccc1 ZINC000071378892 177021281 /nfs/dbraw/zinc/02/12/81/177021281.db2.gz KQYUDGFMSGBDTL-NSHDSACASA-N 0 0 231.299 2.243 10 0 BEAERN C[C@H](OC[C@H]1CCOC1)c1cccc(N)c1 ZINC000049688916 177021932 /nfs/dbraw/zinc/02/19/32/177021932.db2.gz DFDSOWMNDPUKSP-QWRGUYRKSA-N 0 0 221.300 2.383 10 0 BEAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCO1 ZINC000038089979 177035862 /nfs/dbraw/zinc/03/58/62/177035862.db2.gz NGDIEAUAXGLRNR-MFKMUULPSA-N 0 0 249.310 2.091 10 0 BEAERN C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003744933 177036129 /nfs/dbraw/zinc/03/61/29/177036129.db2.gz VGLCZXKKHDZOLQ-BXKDBHETSA-N 0 0 237.274 2.436 10 0 BEAERN C[C@H](c1cccs1)[NH+]1CCC(O)CC1 ZINC000074147797 177048731 /nfs/dbraw/zinc/04/87/31/177048731.db2.gz ZROUISDTAVKFQP-SECBINFHSA-N 0 0 211.330 2.266 10 0 BEAERN C[C@H](c1cccs1)N(C)c1ccc(CO)nn1 ZINC000049728180 177048846 /nfs/dbraw/zinc/04/88/46/177048846.db2.gz MVBRXGMCTGCHKI-SECBINFHSA-N 0 0 249.339 2.228 10 0 BEAERN C[C@@H](O)[C@H](C)c1nc(CCc2ccccc2)no1 ZINC000104054322 177053420 /nfs/dbraw/zinc/05/34/20/177053420.db2.gz MMWGLUSGEDOJCJ-WDEREUQCSA-N 0 0 246.310 2.339 10 0 BEAERN C[C@@H]1Cc2nc3ccccc3n2C(=O)C1 ZINC000039286889 177063172 /nfs/dbraw/zinc/06/31/72/177063172.db2.gz PEPFUZUBUHUZMO-MRVPVSSYSA-N 0 0 200.241 2.259 10 0 BEAERN C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(N)c[nH]1 ZINC000042828505 177079634 /nfs/dbraw/zinc/07/96/34/177079634.db2.gz JJVDCFJSRZNTBT-VHSXEESVSA-N 0 0 235.331 2.153 10 0 BEAERN C[C@H]1CCCC[C@@H]1N(C)c1ncc(N)cn1 ZINC000042603375 177081923 /nfs/dbraw/zinc/08/19/23/177081923.db2.gz WJBJLOWFLSLRMG-ONGXEEELSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@H]1CCCC[C@@H]1Nc1ncc(N)cn1 ZINC000040455330 177083360 /nfs/dbraw/zinc/08/33/60/177083360.db2.gz JRLSWGSJIUOFCC-WPRPVWTQSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@H]1CCCC[C@H]1Nc1cc(C(N)=O)ccc1N ZINC000103963403 177089667 /nfs/dbraw/zinc/08/96/67/177089667.db2.gz HUANKVQNEUSTAW-JOYOIKCWSA-N 0 0 247.342 2.358 10 0 BEAERN C[C@H]1CCC[N@H+](Cc2cccnc2C(=O)[O-])C1 ZINC000062750309 177102178 /nfs/dbraw/zinc/10/21/78/177102178.db2.gz YSNJRUUAVTVVSU-JTQLQIEISA-N 0 0 234.299 2.012 10 0 BEAERN C[C@H]1CCCN1c1cc2c(cc1N)CCC(=O)N2 ZINC000037910146 177112093 /nfs/dbraw/zinc/11/20/93/177112093.db2.gz IRZCULSNMDPXJP-VIFPVBQESA-N 0 0 245.326 2.142 10 0 BEAERN C[C@H]1CCCN1c1nc2ccccn2c1C=O ZINC000037911285 177113144 /nfs/dbraw/zinc/11/31/44/177113144.db2.gz IQNBFOIPFGPXOG-JTQLQIEISA-N 0 0 229.283 2.136 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1C(=O)c1csc(N)n1 ZINC000055185147 177115711 /nfs/dbraw/zinc/11/57/11/177115711.db2.gz MBNUIPDYEUSSBG-OCAPTIKFSA-N 0 0 239.344 2.128 10 0 BEAERN C[C@H]1[C@H](NC(=O)c2cncc(O)c2)CCC[C@@H]1C ZINC000104427101 177121867 /nfs/dbraw/zinc/12/18/67/177121867.db2.gz LHIDBBLXNUFIFZ-OPQQBVKSSA-N 0 0 248.326 2.342 10 0 BEAERN C[C@H]1CCC[C@@H]1Nc1nccnc1N(C)C ZINC000302179673 177127177 /nfs/dbraw/zinc/12/71/77/177127177.db2.gz DNASUYNLRDIIRE-UWVGGRQHSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@H]1CCC[C@@H]1c1nc(Cc2cncn2C)no1 ZINC000329598280 177127530 /nfs/dbraw/zinc/12/75/30/177127530.db2.gz JHUZQHVNMXAFMH-ONGXEEELSA-N 0 0 246.314 2.298 10 0 BEAERN C[C@H]1CCC[C@H](N(C)c2ncc(N)cn2)C1 ZINC000042492295 177135334 /nfs/dbraw/zinc/13/53/34/177135334.db2.gz LLDNMLGULHTADW-ONGXEEELSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@H]1CCC[C@H](OC(=O)C2([NH3+])CCCC2)C1 ZINC000040953541 177137900 /nfs/dbraw/zinc/13/79/00/177137900.db2.gz ZMPHZNDTQSDKGI-QWRGUYRKSA-N 0 0 225.332 2.380 10 0 BEAERN C[C@H]1CCC[C@H](c2nc3c(c(=O)[nH]2)CCCN3)C1 ZINC000104381782 177139200 /nfs/dbraw/zinc/13/92/00/177139200.db2.gz YDTINCSAYLXQJS-UWVGGRQHSA-N 0 0 247.342 2.422 10 0 BEAERN C[C@H]1CCN(C(=O)Cc2ccccc2N)[C@@H](C)C1 ZINC000051728492 177147912 /nfs/dbraw/zinc/14/79/12/177147912.db2.gz KXIIVHVVTQQMSA-RYUDHWBXSA-N 0 0 246.354 2.458 10 0 BEAERN C[C@H]1CCN(C(=O)c2ccc(Cl)cc2N)C1 ZINC000040716621 177153835 /nfs/dbraw/zinc/15/38/35/177153835.db2.gz KHJAATCURIEBHF-QMMMGPOBSA-N 0 0 238.718 2.404 10 0 BEAERN C[C@H]1CCN(c2c(F)cc(N)cc2F)C1 ZINC000040717807 177171268 /nfs/dbraw/zinc/17/12/68/177171268.db2.gz KDOJMZTXHIZLKE-ZETCQYMHSA-N 0 0 212.243 2.393 10 0 BEAERN C[C@H]1CCO[C@@H]1c1nc(C(C)(C)C)no1 ZINC000128725254 177178619 /nfs/dbraw/zinc/17/86/19/177178619.db2.gz VQAVMLDVASUYIM-YUMQZZPRSA-N 0 0 210.277 2.465 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2)O1 ZINC000121665376 177181037 /nfs/dbraw/zinc/18/10/37/177181037.db2.gz LQWNGDOAGQQLSW-AAEUAGOBSA-N 0 0 233.311 2.213 10 0 BEAERN C[C@H]1CC[C@@H](CO)CN1c1nc2ccccc2o1 ZINC000119353210 177190263 /nfs/dbraw/zinc/19/02/63/177190263.db2.gz FYEZLQUGSSRIJX-WDEREUQCSA-N 0 0 246.310 2.425 10 0 BEAERN C[C@H]1CC[C@@H](NC(N)=O)c2ccccc21 ZINC000132837444 177193293 /nfs/dbraw/zinc/19/32/93/177193293.db2.gz QTEFVVPEXRCZBF-GZMMTYOYSA-N 0 0 204.273 2.293 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCC2(C3CC3)CCC2)O1 ZINC000119866085 177197137 /nfs/dbraw/zinc/19/71/37/177197137.db2.gz LTWMPQZHNKFKJM-CMPLNLGQSA-N 0 0 237.343 2.250 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCc2ccccc2F)O1 ZINC000122740486 177197561 /nfs/dbraw/zinc/19/75/61/177197561.db2.gz HEWCKYOBPZWSML-JOYOIKCWSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@H]1CCc2cc(CO)c(Cl)nc2C1 ZINC000049815071 177209732 /nfs/dbraw/zinc/20/97/32/177209732.db2.gz MCILJYQTEDODTB-ZETCQYMHSA-N 0 0 211.692 2.352 10 0 BEAERN C[C@H]1CCc2nc(N)nc(Cl)c2S1 ZINC000075625828 177210362 /nfs/dbraw/zinc/21/03/62/177210362.db2.gz JBHDCNCGCDRHSB-BYPYZUCNSA-N 0 0 215.709 2.139 10 0 BEAERN C[C@@H]1CC(=O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000034505574 177222280 /nfs/dbraw/zinc/22/22/80/177222280.db2.gz AFMMHVFSLJYZKE-DTWKUNHWSA-N 0 0 227.304 2.221 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1Cc1cc(F)ccc1N ZINC000035782505 177260031 /nfs/dbraw/zinc/26/00/31/177260031.db2.gz GTRQQWJKVPJYGA-ZJUUUORDSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@H]1CN(Cc2cscn2)CCS1 ZINC000171691900 177270445 /nfs/dbraw/zinc/27/04/45/177270445.db2.gz XJVGAWWELSVYIQ-QMMMGPOBSA-N 0 0 214.359 2.080 10 0 BEAERN C[C@@H](C(=O)OC(C)(C)C)N1CCS[C@@H](C)C1 ZINC000125220388 177273696 /nfs/dbraw/zinc/27/36/96/177273696.db2.gz GQZRPGWXQZNPTJ-UWVGGRQHSA-N 0 0 245.388 2.154 10 0 BEAERN C[C@H]1CN(c2ccc(C=O)s2)C[C@H](C)O1 ZINC000021952090 177277596 /nfs/dbraw/zinc/27/75/96/177277596.db2.gz VMPAOJHOTKVLQZ-IUCAKERBSA-N 0 0 225.313 2.174 10 0 BEAERN C[C@H]1CNc2ncc(Br)cc21 ZINC000066054629 177287513 /nfs/dbraw/zinc/28/75/13/177287513.db2.gz SSKBJRMGOFUWIY-YFKPBYRVSA-N 0 0 213.078 2.373 10 0 BEAERN C[C@H]1CNc2nc(Br)ccc2O1 ZINC000077011719 177287006 /nfs/dbraw/zinc/28/70/06/177287006.db2.gz PRWVSQIQRWZJOP-YFKPBYRVSA-N 0 0 229.077 2.037 10 0 BEAERN C[C@H]1COCCN1CCCC(=O)c1ccccc1 ZINC000037323419 177291193 /nfs/dbraw/zinc/29/11/93/177291193.db2.gz SOEMXAMXEVYWCJ-ZDUSSCGKSA-N 0 0 247.338 2.370 10 0 BEAERN C[C@H]1COCC[C@H](OC2CCCC2)O1 ZINC000219245725 177295649 /nfs/dbraw/zinc/29/56/49/177295649.db2.gz CECOTKSWIUWQHF-ONGXEEELSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@@H]1COC[C@H](C)N1CCOc1ccccc1 ZINC000077367549 177297809 /nfs/dbraw/zinc/29/78/09/177297809.db2.gz LFKXBLJNVFLSHN-BETUJISGSA-N 0 0 235.327 2.175 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1cnc(Cl)s1 ZINC000079325410 177299742 /nfs/dbraw/zinc/29/97/42/177299742.db2.gz MKRCKVKKJIWZQH-YUMQZZPRSA-N 0 0 246.763 2.406 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1ccnc(Cl)c1 ZINC000172668431 177300062 /nfs/dbraw/zinc/30/00/62/177300062.db2.gz HYDPABTYYGXPJC-UWVGGRQHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2C[C@H](C)C[C@H](C)C2)O1 ZINC000121834727 177311355 /nfs/dbraw/zinc/31/13/55/177311355.db2.gz FGFYQINCYFCILX-KXNHARMFSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@H]1C[C@@H](O)CN(C(=O)CCC(C)(C)C)C1 ZINC000335100382 177336017 /nfs/dbraw/zinc/33/60/17/177336017.db2.gz SHABYPIFHJMPII-WDEREUQCSA-N 0 0 227.348 2.042 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1cc(N)ccc1F ZINC000021953780 177341023 /nfs/dbraw/zinc/34/10/23/177341023.db2.gz UHSGEUAHGUHNNT-XPUUQOCRSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCC(=O)c1cccs1 ZINC000075528348 177346533 /nfs/dbraw/zinc/34/65/33/177346533.db2.gz GVLHJCJNWTXRIP-IUCAKERBSA-N 0 0 237.324 2.236 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCC1(c2ccccc2)CC1 ZINC000075982196 177347484 /nfs/dbraw/zinc/34/74/84/177347484.db2.gz CVKFVOWEJDXBGY-AAEUAGOBSA-N 0 0 244.338 2.426 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180266134 177347722 /nfs/dbraw/zinc/34/77/22/177347722.db2.gz ODYUMDWRBXUALD-CABZTGNLSA-N 0 0 245.326 2.209 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000075526573 177348211 /nfs/dbraw/zinc/34/82/11/177348211.db2.gz DRJORKRWXKTAGE-WKEGUHRASA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1occc1Br ZINC000081732525 177349668 /nfs/dbraw/zinc/34/96/68/177349668.db2.gz KEVZWIVMDRRNMT-FSPLSTOPSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cncc(N[C@H]2C[C@@H]2C)n1 ZINC000309752871 177350676 /nfs/dbraw/zinc/35/06/76/177350676.db2.gz HBNIVOHTWVXVHQ-JXUBOQSCSA-N 0 0 218.304 2.117 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nnc(-c2ccon2)s1 ZINC000287763101 177350700 /nfs/dbraw/zinc/35/07/00/177350700.db2.gz HNAKNNSJJKSXLT-FSPLSTOPSA-N 0 0 222.273 2.013 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1F ZINC000288895643 177350721 /nfs/dbraw/zinc/35/07/21/177350721.db2.gz NKXUIJDKUUOSMQ-CPCISQLKSA-N 0 0 243.303 2.050 10 0 BEAERN C[C@H]1C[C@H](C(F)(F)Cl)n2nccc2N1 ZINC000015933414 177355208 /nfs/dbraw/zinc/35/52/08/177355208.db2.gz XFJYVFPOFRKCKH-NTSWFWBYSA-N 0 0 221.638 2.460 10 0 BEAERN C[C@@H]1C[C@@H](CNC(=O)c2ccco2)C[C@H](C)O1 ZINC000281394750 177362197 /nfs/dbraw/zinc/36/21/97/177362197.db2.gz VRMUBBTXDXUJCG-JGPRNRPPSA-N 0 0 237.299 2.213 10 0 BEAERN C[C@H]1C[C@H](OC2CCCC2)OCCO1 ZINC000219249198 177374578 /nfs/dbraw/zinc/37/45/78/177374578.db2.gz LAYWTQOFSMLYAQ-ONGXEEELSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@@H]1C[C@@H](Nc2ccccn2)C[C@H](C)O1 ZINC000301980138 177372502 /nfs/dbraw/zinc/37/25/02/177372502.db2.gz XNZPHHNAFFJHDZ-JGPRNRPPSA-N 0 0 206.289 2.450 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1cccc(F)c1F ZINC000075510142 177382590 /nfs/dbraw/zinc/38/25/90/177382590.db2.gz BNSPCZRRBXWQBZ-GZMMTYOYSA-N 0 0 239.265 2.422 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1ccccc1 ZINC000171069830 177383022 /nfs/dbraw/zinc/38/30/22/177383022.db2.gz ZRGQDRZVMJWQBV-CMPLNLGQSA-N 0 0 203.285 2.144 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180266173 177384020 /nfs/dbraw/zinc/38/40/20/177384020.db2.gz ODYUMDWRBXUALD-JOYOIKCWSA-N 0 0 245.326 2.209 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1nnc(C(F)F)s1 ZINC000170827686 177384070 /nfs/dbraw/zinc/38/40/70/177384070.db2.gz JNTCCSUMTZXETM-IUYQGCFVSA-N 0 0 248.258 2.006 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1 ZINC000175862228 177384156 /nfs/dbraw/zinc/38/41/56/177384156.db2.gz IXWOTVKXNJQQAX-POYBYMJQSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(N)ccc1Cl ZINC000052268196 177385044 /nfs/dbraw/zinc/38/50/44/177385044.db2.gz GMJGUKBCMMSRIW-QUBYGPBYSA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc2ncccc21 ZINC000075520288 177385447 /nfs/dbraw/zinc/38/54/47/177385447.db2.gz RNZBMSTWOGRQSL-TVQRCGJNSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1occc1Br ZINC000081732528 177385808 /nfs/dbraw/zinc/38/58/08/177385808.db2.gz KEVZWIVMDRRNMT-CAHLUQPWSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1Cc2ccccc2N1CCC(N)=S ZINC000019514579 177390193 /nfs/dbraw/zinc/39/01/93/177390193.db2.gz XERNWMZAOIKIIF-VIFPVBQESA-N 0 0 220.341 2.114 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000190240983 177397223 /nfs/dbraw/zinc/39/72/23/177397223.db2.gz BKSGKBIXWNMAAU-PWSUYJOCSA-N 0 0 219.284 2.440 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)Oc1ccccc1 ZINC000191351445 177397481 /nfs/dbraw/zinc/39/74/81/177397481.db2.gz FQGURQXQQYQPIT-ZYHUDNBSSA-N 0 0 220.268 2.407 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCc1cncs1 ZINC000192280219 177397528 /nfs/dbraw/zinc/39/75/28/177397528.db2.gz UUOYIPYAQZXGLV-SCZZXKLOSA-N 0 0 241.312 2.001 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(C)c1ccccc1 ZINC000190242649 177397693 /nfs/dbraw/zinc/39/76/93/177397693.db2.gz QBYOKECIJIDJKE-DGCLKSJQSA-N 0 0 233.311 2.465 10 0 BEAERN C[C@]([NH2+]C1CCCC1)(C(=O)[O-])c1cccc(O)c1 ZINC000037968845 177445890 /nfs/dbraw/zinc/44/58/90/177445890.db2.gz NLOVEEVRGYHFIB-CQSZACIVSA-N 0 0 249.310 2.224 10 0 BEAERN Cc1c(N)cc(C(=O)NCC(C)C)cc1F ZINC000037483975 177610529 /nfs/dbraw/zinc/61/05/29/177610529.db2.gz KYLSTQGAOYXOMK-UHFFFAOYSA-N 0 0 224.279 2.102 10 0 BEAERN Cc1c(N)cc(C(=O)OCC2CC2)cc1F ZINC000041086471 177611195 /nfs/dbraw/zinc/61/11/95/177611195.db2.gz VVQFFJJPESDRCP-UHFFFAOYSA-N 0 0 223.247 2.283 10 0 BEAERN Cc1c2c(c(O)c(C)c1CCO)CC(C)(C)C2=O ZINC000014618143 177621217 /nfs/dbraw/zinc/62/12/17/177621217.db2.gz IWRJCMQFEMXOML-UHFFFAOYSA-N 0 0 248.322 2.309 10 0 biogenic,in-vitro BEAERN O=C(NC1(C(F)F)CC1)OCC(F)(F)F ZINC000497316070 224656163 /nfs/dbraw/zinc/65/61/63/224656163.db2.gz SPNKAJDMYYQSQQ-UHFFFAOYSA-N 0 0 233.136 2.073 10 0 BEAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401643256 226360673 /nfs/dbraw/zinc/36/06/73/226360673.db2.gz GMJOXTAAFYFJGC-DYEKYZERSA-N 0 0 247.338 2.019 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000401936333 226363182 /nfs/dbraw/zinc/36/31/82/226363182.db2.gz FJZQCYODVODPOP-IJLUTSLNSA-N 0 0 239.359 2.042 10 0 BEAERN On1ccc2cnc(Br)cc21 ZINC000014986262 262712717 /nfs/dbraw/zinc/71/27/17/262712717.db2.gz KPEUPTFXFGBQCR-UHFFFAOYSA-N 0 0 213.034 2.036 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000306853697 487657662 /nfs/dbraw/zinc/65/76/62/487657662.db2.gz UCQJCGMRUHELRL-OUAUKWLOSA-N 0 0 213.321 2.074 10 0 BEAERN Cc1nc2c([nH]1)CCc1ccccc1C2=O ZINC000238522964 487667145 /nfs/dbraw/zinc/66/71/45/487667145.db2.gz FBCMVYYWYBAYRE-UHFFFAOYSA-N 0 0 212.252 2.048 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000680927893 487671627 /nfs/dbraw/zinc/67/16/27/487671627.db2.gz OMBUYRDEWDCGHF-TUAOUCFPSA-N 0 0 227.348 2.088 10 0 BEAERN O=C(NCCF)NC1C2CC3CC(C2)CC1C3 ZINC000001719888 229225972 /nfs/dbraw/zinc/22/59/72/229225972.db2.gz DUSFLQCEUXZSMO-UHFFFAOYSA-N 0 0 240.322 2.080 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000680927891 487672651 /nfs/dbraw/zinc/67/26/51/487672651.db2.gz OMBUYRDEWDCGHF-SDDRHHMPSA-N 0 0 227.348 2.088 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2CCC[C@H](O)C2)cs1 ZINC000671659268 487676438 /nfs/dbraw/zinc/67/64/38/487676438.db2.gz DUBKXOUVVYDKED-MNOVXSKESA-N 0 0 239.340 2.090 10 0 BEAERN Cc1cccc2c1CCN2C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151080866 487686907 /nfs/dbraw/zinc/68/69/07/487686907.db2.gz CGDWGPZNYAIDLP-BXUZGUMPSA-N 0 0 245.322 2.452 10 0 BEAERN CC[C@@H](C)[C@H](N)c1nc(C2CCOCC2)no1 ZINC000087810273 487689586 /nfs/dbraw/zinc/68/95/86/487689586.db2.gz XBGYISSPWCPHGC-SCZZXKLOSA-N 0 0 239.319 2.010 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)CC1=CCCCC1 ZINC000399179912 262777679 /nfs/dbraw/zinc/77/76/79/262777679.db2.gz JJGARBBESFZUQL-WCQYABFASA-N 0 0 237.343 2.249 10 0 BEAERN CCCc1ccc([C@H]2COCC2=O)cc1 ZINC000521400534 262779146 /nfs/dbraw/zinc/77/91/46/262779146.db2.gz NYJGWOIBWWTDGB-GFCCVEGCSA-N 0 0 204.269 2.322 10 0 BEAERN Cc1ccnc(NC(C)(C)COC(C)C)n1 ZINC000396392838 262803050 /nfs/dbraw/zinc/80/30/50/262803050.db2.gz SWURCKJKKJKWCT-UHFFFAOYSA-N 0 0 223.320 2.401 10 0 BEAERN Cc1nnc(NCC2(C3CC3)CC2)s1 ZINC000228666123 487702552 /nfs/dbraw/zinc/70/25/52/487702552.db2.gz FCGPBMRMJUATKT-UHFFFAOYSA-N 0 0 209.318 2.449 10 0 BEAERN Cc1ccccc1-n1[n-]c2c(c1=O)CCC2 ZINC000104707269 487713037 /nfs/dbraw/zinc/71/30/37/487713037.db2.gz YDMCOCXOSVGTHL-JTQLQIEISA-N 0 0 214.268 2.498 10 0 BEAERN O=C(Nc1cccnc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249913151 487725673 /nfs/dbraw/zinc/72/56/73/487725673.db2.gz PRQAYZORUJYBCT-ILWJIGKKSA-N 0 0 202.257 2.066 10 0 BEAERN Nc1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250072789 487727209 /nfs/dbraw/zinc/72/72/09/487727209.db2.gz ASVUIXQELINHGV-ILWJIGKKSA-N 0 0 216.284 2.253 10 0 BEAERN O=C(OCC(F)(F)F)[C@@H]1CC=CCC1 ZINC000123118405 585018627 /nfs/dbraw/zinc/01/86/27/585018627.db2.gz FWRKUOVBXXYWPW-SSDOTTSWSA-N 0 0 208.179 2.448 10 0 BEAERN O=C(NC1CCCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250879483 487743350 /nfs/dbraw/zinc/74/33/50/487743350.db2.gz VAKPKRGIMNMGLH-JGPRNRPPSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1cccc(C)c1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000675552944 487747673 /nfs/dbraw/zinc/74/76/73/487747673.db2.gz MYUHVLIAGZTLBF-QWHCGFSZSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@H](O)[C@H]2C)cs1 ZINC000384871156 487752458 /nfs/dbraw/zinc/75/24/58/487752458.db2.gz OUSBSUQXEBBOSQ-KOLCDFICSA-N 0 0 239.340 2.042 10 0 BEAERN C[C@H]1[C@H](O)CCCN1c1cc(C(C)(C)C)ncn1 ZINC000384990902 487759366 /nfs/dbraw/zinc/75/93/66/487759366.db2.gz KPTPIZUYOCDPDN-WDEREUQCSA-N 0 0 249.358 2.124 10 0 BEAERN CC(C)c1nn(C)cc1N[C@@H](C)c1ccnn1C ZINC000302196894 487775227 /nfs/dbraw/zinc/77/52/27/487775227.db2.gz PBQWKVUNTMTKOR-JTQLQIEISA-N 0 0 247.346 2.450 10 0 BEAERN C[C@H]1C[N@@H+](Cc2ncccc2C(=O)[O-])CC[C@@H]1C ZINC000385406220 487785213 /nfs/dbraw/zinc/78/52/13/487785213.db2.gz PXGAMZRNNIWTMH-QWRGUYRKSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H](C)S1 ZINC000251771061 487796894 /nfs/dbraw/zinc/79/68/94/487796894.db2.gz VCONPLAJBOGVAC-NMZKHRHQSA-N 0 0 239.384 2.385 10 0 BEAERN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252139677 487818244 /nfs/dbraw/zinc/81/82/44/487818244.db2.gz MBJNYVSDQJMDAE-RMPHRYRLSA-N 0 0 207.317 2.337 10 0 BEAERN C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252203662 487822305 /nfs/dbraw/zinc/82/23/05/487822305.db2.gz UQEKXMDIFIQZJB-YFKTTZPYSA-N 0 0 207.317 2.291 10 0 BEAERN CSc1ccnc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000386440305 487844815 /nfs/dbraw/zinc/84/48/15/487844815.db2.gz KDDIAAAXJKVGSJ-RKDXNWHRSA-N 0 0 239.344 2.178 10 0 BEAERN CC[C@@H]1CN(C(=O)OC(C)C)CCCO1 ZINC000300826390 529374010 /nfs/dbraw/zinc/37/40/10/529374010.db2.gz DVLRRZFMXFFHDS-SNVBAGLBSA-N 0 0 215.293 2.032 10 0 BEAERN Nc1cccc(-c2cnn(C[C@@H]3CCOC3)c2)c1 ZINC000109438804 487865658 /nfs/dbraw/zinc/86/56/58/487865658.db2.gz OEJSRNJSQLUJNA-NSHDSACASA-N 0 0 243.310 2.169 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(CO)cc1 ZINC000227481355 487939962 /nfs/dbraw/zinc/93/99/62/487939962.db2.gz FFOBYKFZMVPOCF-FZMZJTMJSA-N 0 0 247.338 2.231 10 0 BEAERN CCC[C@H]([NH2+][C@@H](C)CC1CCC1)C(=O)[O-] ZINC000229757414 487952702 /nfs/dbraw/zinc/95/27/02/487952702.db2.gz ZJRPDFWJMKEXGF-ONGXEEELSA-N 0 0 213.321 2.408 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000127038067 323004595 /nfs/dbraw/zinc/00/45/95/323004595.db2.gz CEQDHTZQKOUMKP-VPOLOUISSA-N 0 0 210.321 2.082 10 0 BEAERN CCO[C@H](C)C(=O)NC1CCC(CC)CC1 ZINC000129977529 323010017 /nfs/dbraw/zinc/01/00/17/323010017.db2.gz JKHAWWBWIBRLLX-VOMCLLRMSA-N 0 0 227.348 2.496 10 0 BEAERN CCCC(C)(C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151179814 323012552 /nfs/dbraw/zinc/01/25/52/323012552.db2.gz POVRNCYEOCJEMP-ZJUUUORDSA-N 0 0 213.321 2.249 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000151968767 323079207 /nfs/dbraw/zinc/07/92/07/323079207.db2.gz JGMXPSYLAMSXFD-PWSUYJOCSA-N 0 0 234.299 2.002 10 0 BEAERN C[C@@H](CO)Sc1ncnc2c1CCCCC2 ZINC000160965509 323140809 /nfs/dbraw/zinc/14/08/09/323140809.db2.gz IJFOZTGJJZFALG-VIFPVBQESA-N 0 0 238.356 2.218 10 0 BEAERN CSCC(=O)NCc1cccc2cccnc21 ZINC000049465843 323160853 /nfs/dbraw/zinc/16/08/53/323160853.db2.gz IYOPSYNCQOYIKU-UHFFFAOYSA-N 0 0 246.335 2.214 10 0 BEAERN CCCCCN(CCO)C(=O)NC(CC)CC ZINC000112431126 323170261 /nfs/dbraw/zinc/17/02/61/323170261.db2.gz HPNAUOZQEBNIHA-UHFFFAOYSA-N 0 0 244.379 2.369 10 0 BEAERN CC1CC(C(=O)N2CC[C@H](O)CC(C)(C)C2)C1 ZINC000563867798 323181741 /nfs/dbraw/zinc/18/17/41/323181741.db2.gz HPJDFUKOKUQRFB-MCIGGMRASA-N 0 0 239.359 2.042 10 0 BEAERN CCc1ccccc1C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399255836 323202081 /nfs/dbraw/zinc/20/20/81/323202081.db2.gz QTENQADERLRPBZ-WCQYABFASA-N 0 0 247.338 2.234 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H](O)CC[C@@H]2C)s1 ZINC000399295496 323203081 /nfs/dbraw/zinc/20/30/81/323203081.db2.gz NPXDUAZQQAMJFQ-WCBMZHEXSA-N 0 0 239.340 2.042 10 0 BEAERN CCCn1nccc1NC(=O)N[C@@H](C)C1CC1 ZINC000043720514 323298416 /nfs/dbraw/zinc/29/84/16/323298416.db2.gz KPUYKJFUDJNAEX-VIFPVBQESA-N 0 0 236.319 2.213 10 0 BEAERN CC1CC(C(=O)Nc2ccc(O)cc2)C1 ZINC000533359953 323887690 /nfs/dbraw/zinc/88/76/90/323887690.db2.gz RCXOHYSTRZGXMQ-UHFFFAOYSA-N 0 0 205.257 2.377 10 0 BEAERN CC(C)COC1CCN(C(=O)C2CCC2)CC1 ZINC000055909828 323903776 /nfs/dbraw/zinc/90/37/76/323903776.db2.gz OYCQTDULDOBQTD-UHFFFAOYSA-N 0 0 239.359 2.450 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1c(O)cccc1F ZINC000119037299 323909515 /nfs/dbraw/zinc/90/95/15/323909515.db2.gz XMROUUYQUKYOMC-MRVPVSSYSA-N 0 0 225.263 2.306 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@@]1(CCOC1)O2 ZINC000160700778 323944878 /nfs/dbraw/zinc/94/48/78/323944878.db2.gz AMKLLDFREWCZBO-CYBMUJFWSA-N 0 0 218.252 2.119 10 0 BEAERN O=c1cc(-c2ccc(F)cc2)nc2n1CCCC2 ZINC000536949910 323951973 /nfs/dbraw/zinc/95/19/73/323951973.db2.gz CSGSFPXQUMSUFX-UHFFFAOYSA-N 0 0 244.269 2.386 10 0 BEAERN C[C@H]1Cc2nc(-c3ccccc3)cc(=O)n2C1 ZINC000536951557 323956673 /nfs/dbraw/zinc/95/66/73/323956673.db2.gz SOJLEBTZNKOUMA-JTQLQIEISA-N 0 0 226.279 2.103 10 0 BEAERN CC[C@]1(O)COc2c(C)ccc(C)c2O1 ZINC000536954393 323962492 /nfs/dbraw/zinc/96/24/92/323962492.db2.gz MCWKRIBOTCPGKA-GFCCVEGCSA-N 0 0 208.257 2.173 10 0 BEAERN C[C@H]1CC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536954306 323962317 /nfs/dbraw/zinc/96/23/17/323962317.db2.gz LTXJIARQZMFLFV-QPUJVOFHSA-N 0 0 222.288 2.041 10 0 BEAERN O=Cc1ccc(-c2n[nH]cc2C(F)(F)F)cn1 ZINC000536959080 323971118 /nfs/dbraw/zinc/97/11/18/323971118.db2.gz NOKSWWKFVRXMFU-UHFFFAOYSA-N 0 0 241.172 2.303 10 0 BEAERN CSCCC(=O)NCCCOC1CCCC1 ZINC000061258528 324061315 /nfs/dbraw/zinc/06/13/15/324061315.db2.gz PETSZWJMORSZAP-UHFFFAOYSA-N 0 0 245.388 2.205 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000188992661 324184354 /nfs/dbraw/zinc/18/43/54/324184354.db2.gz MFOMHXIMBQXEGF-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCC1(C)CCC1 ZINC000188992616 324184625 /nfs/dbraw/zinc/18/46/25/324184625.db2.gz MFOMHXIMBQXEGF-GHMZBOCLSA-N 0 0 225.332 2.108 10 0 BEAERN CC1CC(C(=O)N[C@H](CO)C2CCCCC2)C1 ZINC000538888917 324807449 /nfs/dbraw/zinc/80/74/49/324807449.db2.gz XQGOMWKOMNQOHJ-KGPNIALWSA-N 0 0 239.359 2.090 10 0 BEAERN Cc1cc(=O)[nH]cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000128535358 324850025 /nfs/dbraw/zinc/85/00/25/324850025.db2.gz OGHWKKXKPSMMOH-QWRGUYRKSA-N 0 0 248.326 2.086 10 0 BEAERN CSCCC(=O)Nc1cccc(O)c1F ZINC000129000154 324905515 /nfs/dbraw/zinc/90/55/15/324905515.db2.gz NBNGNDIAAKBYLA-UHFFFAOYSA-N 0 0 229.276 2.223 10 0 BEAERN C[C@H](C(=O)Nc1ccccc1O)C1CCOCC1 ZINC000129268872 324933024 /nfs/dbraw/zinc/93/30/24/324933024.db2.gz JQRDQFLSIALPRH-JTQLQIEISA-N 0 0 249.310 2.393 10 0 BEAERN CC(C)OC(=O)CCc1nc(C(C)(C)C)no1 ZINC000130269408 325032479 /nfs/dbraw/zinc/03/24/79/325032479.db2.gz IZTXITMOKTXJNP-UHFFFAOYSA-N 0 0 240.303 2.251 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(O)c1 ZINC000130637346 325075728 /nfs/dbraw/zinc/07/57/28/325075728.db2.gz WLUNDRUAEFBOJG-JOYOIKCWSA-N 0 0 235.283 2.207 10 0 BEAERN CCCN(C(=O)[C@@H](C)C1CCOCC1)C1CC1 ZINC000130698744 325081676 /nfs/dbraw/zinc/08/16/76/325081676.db2.gz RKTYQMJMEFTRLW-NSHDSACASA-N 0 0 239.359 2.450 10 0 BEAERN O=C(CC[C@H]1CCOC1)NCCC1=CCCC1 ZINC000131481866 325155848 /nfs/dbraw/zinc/15/58/48/325155848.db2.gz HBVFCIQPTRYXNM-ZDUSSCGKSA-N 0 0 237.343 2.420 10 0 BEAERN C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H](C)O1 ZINC000072793033 325173480 /nfs/dbraw/zinc/17/34/80/325173480.db2.gz AIAGTRNQLRDTBR-NXEZZACHSA-N 0 0 239.359 2.304 10 0 BEAERN COC[C@@H](C)CNc1cccc(-c2nnco2)c1 ZINC000131713709 325179288 /nfs/dbraw/zinc/17/92/88/325179288.db2.gz BNYJKBNIWZTBMY-JTQLQIEISA-N 0 0 247.298 2.431 10 0 BEAERN CCN(CCc1nccs1)C(=O)C1(C)CC1 ZINC000131761361 325182423 /nfs/dbraw/zinc/18/24/23/325182423.db2.gz BHDMYTZPEGOGKW-UHFFFAOYSA-N 0 0 238.356 2.334 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000133210767 325277704 /nfs/dbraw/zinc/27/77/04/325277704.db2.gz AIVZEZDVCFSZRR-OIBJUYFYSA-N 0 0 238.287 2.051 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccnn1C ZINC000133608345 325304198 /nfs/dbraw/zinc/30/41/98/325304198.db2.gz LJZJVIDIWYEZFL-LBPRGKRZSA-N 0 0 249.358 2.461 10 0 BEAERN CS[C@@H](C)CNC(=O)N[C@H](C)C(C)C ZINC000133681872 325309250 /nfs/dbraw/zinc/30/92/50/325309250.db2.gz YPVFXXNDCWRIOJ-DTWKUNHWSA-N 0 0 218.366 2.082 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000076000944 325325419 /nfs/dbraw/zinc/32/54/19/325325419.db2.gz IXAKWUQYJAOJCS-CABZTGNLSA-N 0 0 241.294 2.215 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2c(F)cccc2F)O1 ZINC000134093370 325342679 /nfs/dbraw/zinc/34/26/79/325342679.db2.gz UIJKVENRZYMPPG-OIBJUYFYSA-N 0 0 241.237 2.471 10 0 BEAERN CCc1cnccc1C(=O)Nc1ccncc1 ZINC000136162610 325444058 /nfs/dbraw/zinc/44/40/58/325444058.db2.gz ZPLGNQUBLTXKAI-UHFFFAOYSA-N 0 0 227.267 2.291 10 0 BEAERN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC000247974829 325598554 /nfs/dbraw/zinc/59/85/54/325598554.db2.gz KLMIQMQPDMLBBK-TURQNECASA-N 0 0 249.314 2.039 10 0 BEAERN COCCC1(C(=O)N[C@H]2C[C@H]2C)CCCC1 ZINC000154050114 326126700 /nfs/dbraw/zinc/12/67/00/326126700.db2.gz NYCJKORPHXDJOD-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268183916 326169109 /nfs/dbraw/zinc/16/91/09/326169109.db2.gz XGEHTEGCPXEUJA-JFGNBEQYSA-N 0 0 247.342 2.134 10 0 BEAERN CC(C)N(C(=O)[C@H]1CC[C@H](C)O1)C1CCC1 ZINC000156065558 326218219 /nfs/dbraw/zinc/21/82/19/326218219.db2.gz YDFAFPWJQLVSLU-CMPLNLGQSA-N 0 0 225.332 2.343 10 0 BEAERN Cc1cc(O)ccc1NCC1(O)CCCC1 ZINC000567707484 326248916 /nfs/dbraw/zinc/24/89/16/326248916.db2.gz VCWCDRVHOINSOC-UHFFFAOYSA-N 0 0 221.300 2.418 10 0 BEAERN C[C@H]1CC[C@@](C)(c2nc(CN)no2)C1(C)C ZINC000567849762 326269862 /nfs/dbraw/zinc/26/98/62/326269862.db2.gz CXOUHDOCMSXWSS-UFBFGSQYSA-N 0 0 223.320 2.242 10 0 BEAERN CS[C@@H](C)CC(=O)N1CCS[C@@H](C)C1 ZINC000163392060 326401473 /nfs/dbraw/zinc/40/14/73/326401473.db2.gz NABDHCNUKDLBEJ-IUCAKERBSA-N 0 0 233.402 2.092 10 0 BEAERN c1ccc(NCCOC2CCOCC2)cc1 ZINC000053591107 488000537 /nfs/dbraw/zinc/00/05/37/488000537.db2.gz CQLNCTLAFIXHNQ-UHFFFAOYSA-N 0 0 221.300 2.294 10 0 BEAERN C[C@@]1(C(=O)[O-])CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978171 488014474 /nfs/dbraw/zinc/01/44/74/488014474.db2.gz GEUCHVILYKGIGH-WFASDCNBSA-N 0 0 245.322 2.265 10 0 BEAERN COc1cnc(CO)cc1CCCC1CC1 ZINC000584629557 488019688 /nfs/dbraw/zinc/01/96/88/488019688.db2.gz KJKXOJMMOWPPCL-UHFFFAOYSA-N 0 0 221.300 2.315 10 0 BEAERN CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000677576250 488077373 /nfs/dbraw/zinc/07/73/73/488077373.db2.gz WRWJPQWGPVUONO-NXEZZACHSA-N 0 0 249.301 2.089 10 0 BEAERN CC(F)(F)CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000677576251 488077591 /nfs/dbraw/zinc/07/75/91/488077591.db2.gz WRWJPQWGPVUONO-UWVGGRQHSA-N 0 0 249.301 2.089 10 0 BEAERN COC(=O)Cc1ccc2c(c1)[nH]cc2C(C)=O ZINC000147989264 488078157 /nfs/dbraw/zinc/07/81/57/488078157.db2.gz VTFPZOZDXCIIOP-UHFFFAOYSA-N 0 0 231.251 2.086 10 0 BEAERN CCc1nc(C)cc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000672167026 488098603 /nfs/dbraw/zinc/09/86/03/488098603.db2.gz CVKJPSKVELTSRC-GHMZBOCLSA-N 0 0 235.331 2.063 10 0 BEAERN O=C(NCC(F)F)c1ccc2c(c1)CCCN2 ZINC000136598393 488110305 /nfs/dbraw/zinc/11/03/05/488110305.db2.gz ZLTKZUSHQAQTLH-UHFFFAOYSA-N 0 0 240.253 2.040 10 0 BEAERN Cc1ccc(NC(=O)N2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000296100442 488110554 /nfs/dbraw/zinc/11/05/54/488110554.db2.gz GAYJTDZJGFHSCG-WCQYABFASA-N 0 0 248.326 2.372 10 0 BEAERN CCCCNC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000020256974 487538615 /nfs/dbraw/zinc/53/86/15/487538615.db2.gz BNOAUFWOUNKENH-LBPRGKRZSA-N 0 0 247.342 2.123 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000680186399 487542216 /nfs/dbraw/zinc/54/22/16/487542216.db2.gz RARRPQHDBRENQH-IACUBPJLSA-N 0 0 247.338 2.210 10 0 BEAERN COc1ccccc1[C@@H](C)[NH2+][C@H](C(=O)[O-])C1CC1 ZINC000086758616 487546165 /nfs/dbraw/zinc/54/61/65/487546165.db2.gz TZKSXEHYINRMLC-RNCFNFMXSA-N 0 0 249.310 2.209 10 0 BEAERN Cc1cnc([C@H](C)NCc2oc(C)nc2C)o1 ZINC000685572727 487553705 /nfs/dbraw/zinc/55/37/05/487553705.db2.gz GXBVSUOUWRYMTD-VIFPVBQESA-N 0 0 235.287 2.439 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000673903806 487473455 /nfs/dbraw/zinc/47/34/55/487473455.db2.gz HAMBMDBPINJBJU-XQHKEYJVSA-N 0 0 239.359 2.232 10 0 BEAERN O=C(CC1=CCCCC1)N[C@H]1CCC[C@@H](O)C1 ZINC000673904772 487474430 /nfs/dbraw/zinc/47/44/30/487474430.db2.gz LMKHISOSRGOTRU-QWHCGFSZSA-N 0 0 237.343 2.297 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000673910455 487477959 /nfs/dbraw/zinc/47/79/59/487477959.db2.gz BMGWEDHVDHZYOO-TUAOUCFPSA-N 0 0 242.363 2.025 10 0 BEAERN Cc1cscc1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000674083139 487513389 /nfs/dbraw/zinc/51/33/89/487513389.db2.gz RIJUAGIVPJLKGU-NXEZZACHSA-N 0 0 239.340 2.090 10 0 BEAERN CC1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300601314 487523010 /nfs/dbraw/zinc/52/30/10/487523010.db2.gz ZBWKRQHNNYHTMI-LMLFDSFASA-N 0 0 207.317 2.195 10 0 BEAERN Cc1csc(C(=O)N[C@H]2CCC[C@H](O)C2)c1 ZINC000077103006 488151399 /nfs/dbraw/zinc/15/13/99/488151399.db2.gz KMBBFQSQCHRCMA-UWVGGRQHSA-N 0 0 239.340 2.090 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000404598840 488170608 /nfs/dbraw/zinc/17/06/08/488170608.db2.gz UMNAGYHKWCFBKO-CMPLNLGQSA-N 0 0 247.342 2.121 10 0 BEAERN O[C@@H]1CCC[C@@H](Cn2cnc3c2CCCC3)C1 ZINC000380116712 488173567 /nfs/dbraw/zinc/17/35/67/488173567.db2.gz AXHKVTDVFVRBCD-VXGBXAGGSA-N 0 0 234.343 2.313 10 0 BEAERN CC1(C)C(C(=O)N[C@H]2CCC[C@H](O)C2)C1(C)C ZINC000673903536 488310800 /nfs/dbraw/zinc/31/08/00/488310800.db2.gz FKTRWEJTOABIMQ-UWVGGRQHSA-N 0 0 239.359 2.088 10 0 BEAERN C[C@H](CO)CN1CCCc2ccccc21 ZINC000120581449 490065202 /nfs/dbraw/zinc/06/52/02/490065202.db2.gz IPKRTTGWWYSGJH-NSHDSACASA-N 0 0 205.301 2.068 10 0 BEAERN C[C@@H](CO)CN1CCCCc2ccccc21 ZINC000121457476 490092655 /nfs/dbraw/zinc/09/26/55/490092655.db2.gz NAYLFBKEVONMSB-GFCCVEGCSA-N 0 0 219.328 2.458 10 0 BEAERN Cc1cccc2c1CCN2C[C@@H](O)C(F)(F)F ZINC000121558944 490102184 /nfs/dbraw/zinc/10/21/84/490102184.db2.gz XFPIDQWMDOPLAK-LLVKDONJSA-N 0 0 245.244 2.281 10 0 BEAERN Fc1c(Br)cccc1OC[C@@H]1CO1 ZINC000066309357 490247860 /nfs/dbraw/zinc/24/78/60/490247860.db2.gz ALUKSHASDNTFSH-LURJTMIESA-N 0 0 247.063 2.366 10 0 BEAERN C[C@H](c1cccc(O)c1)N(C)Cc1cncnc1 ZINC000123984853 490271160 /nfs/dbraw/zinc/27/11/60/490271160.db2.gz PEWGARQYWKWIEP-LLVKDONJSA-N 0 0 243.310 2.375 10 0 BEAERN C[C@H](c1ccco1)N(C)Cc1cncnc1 ZINC000131023954 490468448 /nfs/dbraw/zinc/46/84/48/490468448.db2.gz WTBBJKSPOXYFJW-SNVBAGLBSA-N 0 0 217.272 2.263 10 0 BEAERN COC(=O)c1cccc2[nH]c(C(C)C)nc21 ZINC000076211269 490551645 /nfs/dbraw/zinc/55/16/45/490551645.db2.gz SRGMJYPQIPUYQY-UHFFFAOYSA-N 0 0 218.256 2.473 10 0 BEAERN c1cn(C[C@@H]2CCc3ccccc3C2)nn1 ZINC000128043911 490570024 /nfs/dbraw/zinc/57/00/24/490570024.db2.gz LLMDDSBNSZAYOW-LLVKDONJSA-N 0 0 213.284 2.083 10 0 BEAERN COc1ccc(C[C@H](C)C(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000128276617 490575795 /nfs/dbraw/zinc/57/57/95/490575795.db2.gz WCYCEUSMBTXSEI-UHIISALHSA-N 0 0 247.338 2.398 10 0 BEAERN COc1ccc(CCc2cc(N)n[nH]2)c(C)c1 ZINC000113033043 490589890 /nfs/dbraw/zinc/58/98/90/490589890.db2.gz HDRLDGNQPOBSQL-UHFFFAOYSA-N 0 0 231.299 2.094 10 0 BEAERN O=C1C[C@H](c2ccc(Br)cc2)CO1 ZINC000196512840 491074645 /nfs/dbraw/zinc/07/46/45/491074645.db2.gz NBTJDXDLSAXXCE-QMMMGPOBSA-N 0 0 241.084 2.480 10 0 BEAERN C[C@@H](NCc1ccno1)c1cncc(F)c1 ZINC000228578800 491095504 /nfs/dbraw/zinc/09/55/04/491095504.db2.gz XDEXBBJRVMYZHD-MRVPVSSYSA-N 0 0 221.235 2.060 10 0 BEAERN CCc1cc(N[C@@H]2CCC[N@@H+](CC)C2)nc(C)n1 ZINC000088760213 491108311 /nfs/dbraw/zinc/10/83/11/491108311.db2.gz JFVYFQFGINYSHJ-CYBMUJFWSA-N 0 0 248.374 2.244 10 0 BEAERN CC(C)NC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000074904188 491131975 /nfs/dbraw/zinc/13/19/75/491131975.db2.gz XUYCMROYIMMQDM-SNVBAGLBSA-N 0 0 234.299 2.392 10 0 BEAERN CC(C)CCN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000133329949 491150901 /nfs/dbraw/zinc/15/09/01/491150901.db2.gz HYSGAMZNJVLDFD-NSHDSACASA-N 0 0 249.358 2.334 10 0 BEAERN c1nc(C2CC2)c(CNc2cccnn2)s1 ZINC000309616911 491152581 /nfs/dbraw/zinc/15/25/81/491152581.db2.gz OCUDYJRQWZJLCW-UHFFFAOYSA-N 0 0 232.312 2.423 10 0 BEAERN CCCC[C@@H](O)c1ncc(C(=O)OC)s1 ZINC000757122804 582498049 /nfs/dbraw/zinc/49/80/49/582498049.db2.gz FJMGPISKGNLCCX-SSDOTTSWSA-N 0 0 229.301 2.153 10 0 BEAERN CC[C@H](CO)Nc1ccc2c(ccn2C)c1 ZINC000757128001 582502941 /nfs/dbraw/zinc/50/29/41/582502941.db2.gz INJNXYRRHWOWNA-LLVKDONJSA-N 0 0 218.300 2.361 10 0 BEAERN Cc1cc(CO[C@H]2CNOC2)ccc1Cl ZINC000757145492 582528246 /nfs/dbraw/zinc/52/82/46/582528246.db2.gz MFBAVWUVHUATKA-JTQLQIEISA-N 0 0 227.691 2.068 10 0 BEAERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NCC(F)(F)CO2 ZINC000757150265 582534243 /nfs/dbraw/zinc/53/42/43/582534243.db2.gz PHFGNJIXKBOWFR-JZYVYDRUSA-N 0 0 219.275 2.394 10 0 BEAERN CC[C@@H](SCc1occc1C)C(N)=O ZINC000757163715 582544927 /nfs/dbraw/zinc/54/49/27/582544927.db2.gz DPYQQQBTPXXQQZ-SECBINFHSA-N 0 0 213.302 2.085 10 0 BEAERN Cc1ccoc1CSCc1nnc(N)s1 ZINC000757165321 582547234 /nfs/dbraw/zinc/54/72/34/582547234.db2.gz KDGGEWSKTFFIIG-UHFFFAOYSA-N 0 0 241.341 2.455 10 0 BEAERN CCC[C@]1(C)[C@@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168625 582549454 /nfs/dbraw/zinc/54/94/54/582549454.db2.gz JMRNEENAZKDKBE-KWBADKCTSA-N 0 0 243.347 2.451 10 0 BEAERN CC(C)[C@]1(C)[C@H](O)C[C@H]1NC(=O)OC(C)(C)C ZINC000757168592 582549517 /nfs/dbraw/zinc/54/95/17/582549517.db2.gz IQCAKVPMNRWKNQ-BREBYQMCSA-N 0 0 243.347 2.307 10 0 BEAERN Cc1cc(Cl)ccc1[C@@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757193407 582557436 /nfs/dbraw/zinc/55/74/36/582557436.db2.gz PATVXSJWGFSOOO-WDEREUQCSA-N 0 0 239.702 2.036 10 0 BEAERN Cc1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F ZINC000235353322 582565864 /nfs/dbraw/zinc/56/58/64/582565864.db2.gz JVAMNLZYKFKPKA-RQJHMYQMSA-N 0 0 219.210 2.499 10 0 BEAERN O[C@@H](Cc1ccc(Cl)s1)c1cn[nH]c1 ZINC000306712197 582654095 /nfs/dbraw/zinc/65/40/95/582654095.db2.gz OJTXJIZBBFYJLD-QMMMGPOBSA-N 0 0 228.704 2.401 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1CCC[C@H](C)C1 ZINC000379775683 582683527 /nfs/dbraw/zinc/68/35/27/582683527.db2.gz CUJOJBCBKTVXSL-GXSJLCMTSA-N 0 0 207.321 2.430 10 0 BEAERN Cc1cn(C[C@@H]2CCCC2(F)F)nc1N ZINC000381541878 582689239 /nfs/dbraw/zinc/68/92/39/582689239.db2.gz DEHMKAZEXJVYTA-QMMMGPOBSA-N 0 0 215.247 2.039 10 0 BEAERN CC[C@@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000058482856 517757807 /nfs/dbraw/zinc/75/78/07/517757807.db2.gz WXAAZPBANNQTDW-KOLCDFICSA-N 0 0 234.299 2.218 10 0 BEAERN Cc1nc(CN2C[C@@H]3C[C@H](C)O[C@@H]3C2)cs1 ZINC000503718647 534369252 /nfs/dbraw/zinc/36/92/52/534369252.db2.gz IGRAPARDJKFZDB-PTOFAABTSA-N 0 0 238.356 2.061 10 0 BEAERN CC(C)(C)CS(=O)(=O)c1cccc(C=O)c1 ZINC000072209818 518673508 /nfs/dbraw/zinc/67/35/08/518673508.db2.gz LFLMSVWVCLQLFZ-UHFFFAOYSA-N 0 0 240.324 2.319 10 0 BEAERN CC(C)(C)CS(=O)(=O)c1ccc(C=O)cc1 ZINC000072209807 518674024 /nfs/dbraw/zinc/67/40/24/518674024.db2.gz LCFOVPBNBNOHRH-UHFFFAOYSA-N 0 0 240.324 2.319 10 0 BEAERN CC(=O)Cc1nsc(NC2CCCC2)n1 ZINC000229006818 519438240 /nfs/dbraw/zinc/43/82/40/519438240.db2.gz YXQPWFGLYSNBQE-UHFFFAOYSA-N 0 0 225.317 2.024 10 0 BEAERN CC1(C)CC(=O)c2cc3nc[nH]c3cc21 ZINC000057347024 520275954 /nfs/dbraw/zinc/27/59/54/520275954.db2.gz DAXXJYCQTMIPRU-UHFFFAOYSA-N 0 0 200.241 2.427 10 0 BEAERN CCO[C@@H]1CCCC[C@@H]1CC(=O)OC ZINC000085396274 520317077 /nfs/dbraw/zinc/31/70/77/520317077.db2.gz SKOMMVNYXOLGGZ-NXEZZACHSA-N 0 0 200.278 2.145 10 0 BEAERN COC(=O)c1c(C)nn(C(C)(C)C)c1Cl ZINC000057354248 521757172 /nfs/dbraw/zinc/75/71/72/521757172.db2.gz LGHYJMPRDAAAQI-UHFFFAOYSA-N 0 0 230.695 2.387 10 0 BEAERN CCc1noc(NCCc2ccccc2)n1 ZINC000057353925 522902403 /nfs/dbraw/zinc/90/24/03/522902403.db2.gz UIBBTBYBFIFRLD-UHFFFAOYSA-N 0 0 217.272 2.287 10 0 BEAERN CC(C)c1ncc(NC(=O)[C@@H]2CC[C@@H](C)O2)cn1 ZINC000408330820 534900157 /nfs/dbraw/zinc/90/01/57/534900157.db2.gz KNUMHDXRYVYPHI-KOLCDFICSA-N 0 0 249.314 2.106 10 0 BEAERN CC(=O)CCc1ccc(C(C)(C)O)c(=O)cc1C ZINC000070454906 526424898 /nfs/dbraw/zinc/42/48/98/526424898.db2.gz ZJOGLHNZNCCGQF-UHFFFAOYSA-N 0 0 248.322 2.104 10 0 biogenic,in-vitro BEAERN CN1CCOc2c(Cl)c(Cl)c(N)cc21 ZINC000062530783 536446302 /nfs/dbraw/zinc/44/63/02/536446302.db2.gz JCBOGGITBXVJJI-UHFFFAOYSA-N 0 0 233.098 2.404 10 0 BEAERN O=c1[nH]c2ccccc2nc1N1CCCCCC1 ZINC000229011461 527445584 /nfs/dbraw/zinc/44/55/84/527445584.db2.gz BHWLVTSZQJNVJH-UHFFFAOYSA-N 0 0 243.310 2.304 10 0 BEAERN CC(C)(C)CCC(=O)NC[C@H](O)C(C)(C)C ZINC000305155379 527652455 /nfs/dbraw/zinc/65/24/55/527652455.db2.gz PYKHQSMVKZSOMP-JTQLQIEISA-N 0 0 229.364 2.336 10 0 BEAERN CC(C)(C)CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000305155381 527652756 /nfs/dbraw/zinc/65/27/56/527652756.db2.gz PYKHQSMVKZSOMP-SNVBAGLBSA-N 0 0 229.364 2.336 10 0 BEAERN FC(F)(F)c1nc(-c2ccco2)n[nH]1 ZINC000072236789 527690879 /nfs/dbraw/zinc/69/08/79/527690879.db2.gz ANICTIVQXCTYBA-UHFFFAOYSA-N 0 0 203.123 2.084 10 0 BEAERN CC(C)OC(=O)N1CCOC(C)(C)[C@H]1C ZINC000496666051 527815366 /nfs/dbraw/zinc/81/53/66/527815366.db2.gz UQGPGYNTNDVFKT-SECBINFHSA-N 0 0 215.293 2.031 10 0 BEAERN CC(C)OC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000496019964 527828161 /nfs/dbraw/zinc/82/81/61/527828161.db2.gz JJQWSENDONVHGW-GMTAPVOTSA-N 0 0 239.315 2.079 10 0 BEAERN COC[C@H]1CCCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000113578118 536516370 /nfs/dbraw/zinc/51/63/70/536516370.db2.gz ZSMBJIAQTRMLIK-RYUDHWBXSA-N 0 0 242.363 2.099 10 0 BEAERN CCOC(=O)c1c(C)noc1C(C)(C)C ZINC000498051302 528129005 /nfs/dbraw/zinc/12/90/05/528129005.db2.gz OKOILFNIEXOFFP-UHFFFAOYSA-N 0 0 211.261 2.457 10 0 BEAERN CC(C)[C@@H](O)CC(=O)NC/C=C/c1ccccc1 ZINC000178950502 528614240 /nfs/dbraw/zinc/61/42/40/528614240.db2.gz VRWZLRQQGPIIPX-MRZGDXHCSA-N 0 0 247.338 2.223 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](C)[C@H]1C ZINC000178437230 534969534 /nfs/dbraw/zinc/96/95/34/534969534.db2.gz ZERSDZMHJRKLJE-GARJFASQSA-N 0 0 212.337 2.471 10 0 BEAERN CC(F)(F)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000335695440 535187399 /nfs/dbraw/zinc/18/73/99/535187399.db2.gz FGVWRUURVMRELV-ZJUUUORDSA-N 0 0 247.285 2.202 10 0 BEAERN CCCN(C(=O)N[C@H](C)[C@H]1CCCO1)C1CC1 ZINC000171425304 535225657 /nfs/dbraw/zinc/22/56/57/535225657.db2.gz NHOAJJHADQKIAP-ZYHUDNBSSA-N 0 0 240.347 2.138 10 0 BEAERN CCC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000039400302 535343981 /nfs/dbraw/zinc/34/39/81/535343981.db2.gz HSRGNAOYZDXKOW-UHFFFAOYSA-N 0 0 217.268 2.188 10 0 BEAERN CCCC(=O)Nc1cnc(N2CCCCC2)nc1 ZINC000065224906 535353267 /nfs/dbraw/zinc/35/32/67/535353267.db2.gz RPLOVTWTKPVQMG-UHFFFAOYSA-N 0 0 248.330 2.206 10 0 BEAERN CCN1CCC(=O)N(c2cccc(F)c2)C1=O ZINC000051784587 535443369 /nfs/dbraw/zinc/44/33/69/535443369.db2.gz KSJOSWOIWHCULJ-UHFFFAOYSA-N 0 0 236.246 2.004 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1cc(C)nc(OC)n1 ZINC000310022978 535494266 /nfs/dbraw/zinc/49/42/66/535494266.db2.gz ODUPVXWCNCUHOM-NXEZZACHSA-N 0 0 221.304 2.394 10 0 BEAERN CCOc1cncc(NCCC2=CCOCC2)n1 ZINC000158081507 535567927 /nfs/dbraw/zinc/56/79/27/535567927.db2.gz ULUYCLXSRHDYRY-UHFFFAOYSA-N 0 0 249.314 2.024 10 0 BEAERN CCOCCN1CCCc2cccc(N)c21 ZINC000042138077 535591573 /nfs/dbraw/zinc/59/15/73/535591573.db2.gz MFFFQJZJUGVGNO-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN CCOC[C@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000081469507 535712018 /nfs/dbraw/zinc/71/20/18/535712018.db2.gz ZHTCQFQYIDZRQA-NEPJUHHUSA-N 0 0 242.363 2.099 10 0 BEAERN CCOc1ccc(CN2CC(O)(CC)C2)cc1 ZINC000089653298 535718270 /nfs/dbraw/zinc/71/82/70/535718270.db2.gz XLTPSRGSSLBJJV-UHFFFAOYSA-N 0 0 235.327 2.042 10 0 BEAERN CCO[C@@H]1CCCN(c2cc(N)cc(F)c2)C1 ZINC000042421406 535744801 /nfs/dbraw/zinc/74/48/01/535744801.db2.gz YELUAIIMIWYFED-CYBMUJFWSA-N 0 0 238.306 2.413 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1ccc(F)cc1N ZINC000036131885 535844497 /nfs/dbraw/zinc/84/44/97/535844497.db2.gz VODJJAAXFYHVPU-GXSJLCMTSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1cc(F)ccc1N ZINC000052120559 535844662 /nfs/dbraw/zinc/84/46/62/535844662.db2.gz WKEHZLRLECKRJZ-GXSJLCMTSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@]1(C)CCCN(C(=O)[C@@H](C)COC)C1 ZINC000173499642 535900852 /nfs/dbraw/zinc/90/08/52/535900852.db2.gz FDXCXZYXURCOAD-WCQYABFASA-N 0 0 227.348 2.308 10 0 BEAERN CC[C@H](Nc1nc(OC)cc(OC)n1)C(C)C ZINC000135000563 535955326 /nfs/dbraw/zinc/95/53/26/535955326.db2.gz UZXUTRHSJIGJHC-VIFPVBQESA-N 0 0 239.319 2.340 10 0 BEAERN CCn1c(C)nnc1CSCC(C)C ZINC000171785759 535977815 /nfs/dbraw/zinc/97/78/15/535977815.db2.gz ODLXGNHYYPJDLG-UHFFFAOYSA-N 0 0 213.350 2.496 10 0 BEAERN CC[C@@]1(C)CCCN(C(=O)[C@H](C)COC)C1 ZINC000173499674 536037604 /nfs/dbraw/zinc/03/76/04/536037604.db2.gz FDXCXZYXURCOAD-YPMHNXCESA-N 0 0 227.348 2.308 10 0 BEAERN CN(C)C(=O)N1CCCC[C@H]1c1ccco1 ZINC000336626899 536079059 /nfs/dbraw/zinc/07/90/59/536079059.db2.gz UHQVOXKDBTZRIC-JTQLQIEISA-N 0 0 222.288 2.488 10 0 BEAERN CC[C@H]1CN(c2c(F)cc(N)cc2F)CCO1 ZINC000038040134 536159317 /nfs/dbraw/zinc/15/93/17/536159317.db2.gz OENZYEDGARFXTC-VIFPVBQESA-N 0 0 242.269 2.162 10 0 BEAERN COC1CCN(c2cc(N)ccc2C)CC1 ZINC000053734906 536756351 /nfs/dbraw/zinc/75/63/51/536756351.db2.gz ZAEWIEMKSUJNJG-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN COC1CCN(c2ccc(N)cc2F)CC1 ZINC000037266276 536757728 /nfs/dbraw/zinc/75/77/28/536757728.db2.gz ITNKVFDMXLEXRR-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN CC[C@H](C(=O)[C@@H](C)OC)C(=O)C(C)(C)C ZINC000725257097 538061328 /nfs/dbraw/zinc/06/13/28/538061328.db2.gz ICBXKGZWVRSNSR-RKDXNWHRSA-N 0 0 214.305 2.232 10 0 BEAERN Cn1nccc1-c1cc(N)c2ccc(F)cc2n1 ZINC000725257036 538059454 /nfs/dbraw/zinc/05/94/54/538059454.db2.gz GJABLOJEEVZAAO-UHFFFAOYSA-N 0 0 242.257 2.357 10 0 BEAERN Cn1nccc1-c1cc(=O)c2cccc(F)c2[nH]1 ZINC000725256864 538059494 /nfs/dbraw/zinc/05/94/94/538059494.db2.gz CAVJXAVGXFZTKA-UHFFFAOYSA-N 0 0 243.241 2.480 10 0 BEAERN CC(C)(C)C1CCC2(CC1)CC(=O)NC[C@H]2O ZINC000725262800 538089285 /nfs/dbraw/zinc/08/92/85/538089285.db2.gz RYGLXJSEYFQOPU-IQLKVPPVSA-N 0 0 239.359 2.090 10 0 BEAERN CCOC(=O)c1nc(CC(C)C)ncc1C ZINC000300847097 566271250 /nfs/dbraw/zinc/27/12/50/566271250.db2.gz AQIZKXBMWVVFGK-UHFFFAOYSA-N 0 0 222.288 2.160 10 0 BEAERN CCC(C)(CC)C(=O)N[C@H]1CCCC[C@H]1O ZINC000134979972 566330933 /nfs/dbraw/zinc/33/09/33/566330933.db2.gz PHBZAICZUWAHFA-WDEREUQCSA-N 0 0 227.348 2.232 10 0 BEAERN CCC(=O)Nc1ccc(OC)c2c1NCCC2 ZINC000675051889 566374934 /nfs/dbraw/zinc/37/49/34/566374934.db2.gz WPCCBKPYGJEHKT-UHFFFAOYSA-N 0 0 234.299 2.402 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@@H](C)C[C@@H]2C ZINC000227519214 566466713 /nfs/dbraw/zinc/46/67/13/566466713.db2.gz MPCLRCRVHKZOBI-WDCWCFNPSA-N 0 0 212.289 2.143 10 0 BEAERN CC[C@@H]1Nc2cccc(OC)c2C[C@@]1(C)O ZINC000685963811 566487780 /nfs/dbraw/zinc/48/77/80/566487780.db2.gz XIQKUAQAMGNTMW-QWHCGFSZSA-N 0 0 221.300 2.193 10 0 BEAERN c1cnc2nn3c(c2c1)NCC[C@H]3C1CC1 ZINC000232467271 566490928 /nfs/dbraw/zinc/49/09/28/566490928.db2.gz FHOXSEQQURMAON-JTQLQIEISA-N 0 0 214.272 2.198 10 0 BEAERN O[C@@H]1C=Cc2ccc3ccccc3c2[C@H]1O ZINC000006118294 560205327 /nfs/dbraw/zinc/20/53/27/560205327.db2.gz FOTICWSJABVKPW-OCCSQVGLSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN CCC(=O)CCc1ccc(O)c(OC)c1 ZINC000015112723 560228368 /nfs/dbraw/zinc/22/83/68/560228368.db2.gz MDOAFJBLZREPFB-UHFFFAOYSA-N 0 0 208.257 2.313 10 0 biogenic,in-vitro BEAERN CCOC(CC(=O)[C@H]1CC1(C)C)OCC ZINC000397680608 583106182 /nfs/dbraw/zinc/10/61/82/583106182.db2.gz LUWRJNHKDVKKBP-SECBINFHSA-N 0 0 214.305 2.391 10 0 BEAERN CCC1(C)CCN(C(=O)n2ccnc2)CC1 ZINC000112019462 588780492 /nfs/dbraw/zinc/78/04/92/588780492.db2.gz GEBRWBQJIIPIOJ-UHFFFAOYSA-N 0 0 221.304 2.363 10 0 BEAERN COC[C@H](C)C(=O)OCCSC(C)(C)C ZINC000112763944 588816303 /nfs/dbraw/zinc/81/63/03/588816303.db2.gz QZNDVUWJQXUBDV-VIFPVBQESA-N 0 0 234.361 2.344 10 0 BEAERN Clc1ccc2nnc(Br)n2c1 ZINC000213967240 582457496 /nfs/dbraw/zinc/45/74/96/582457496.db2.gz FPJNKKHOUBZUNQ-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CCc1nc(-c2c(C)c(C)sc2N)n(C)n1 ZINC000104925163 582459186 /nfs/dbraw/zinc/45/91/86/582459186.db2.gz LUSFGUMMHKJMAU-UHFFFAOYSA-N 0 0 236.344 2.305 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCC(C)(C)C2 ZINC000234594225 582461165 /nfs/dbraw/zinc/46/11/65/582461165.db2.gz SHHHWEORDRGSBC-MNOVXSKESA-N 0 0 232.707 2.464 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCC[C@@H]2C ZINC000234599806 582461785 /nfs/dbraw/zinc/46/17/85/582461785.db2.gz MNILIKVOUXKIND-HGNGGELXSA-N 0 0 218.680 2.074 10 0 BEAERN CCOC(=O)C=C(O)C(C(C)C)C(C)C ZINC000200364689 582469399 /nfs/dbraw/zinc/46/93/99/582469399.db2.gz UEKPJUIFMOZKAP-UHFFFAOYSA-N 0 0 214.305 2.437 10 0 BEAERN CCc1nc(C(=O)[C@H]2C[C@@H]2C)sc1N ZINC000757121715 582497517 /nfs/dbraw/zinc/49/75/17/582497517.db2.gz BRBLRBXSRAXVKM-WDSKDSINSA-N 0 0 210.302 2.126 10 0 BEAERN CN1CCc2cc(NCCCF)ccc21 ZINC000757125460 582499854 /nfs/dbraw/zinc/49/98/54/582499854.db2.gz DQHQGEQJLXVDFZ-UHFFFAOYSA-N 0 0 208.280 2.450 10 0 BEAERN CC(=O)c1cnc([C@@H](O)CC(C)C)s1 ZINC000757125112 582499864 /nfs/dbraw/zinc/49/98/64/582499864.db2.gz DZYMIASUJCWYDN-QMMMGPOBSA-N 0 0 213.302 2.425 10 0 BEAERN CC(=O)c1csc([C@H](O)C2(C)CC2)n1 ZINC000757130395 582504762 /nfs/dbraw/zinc/50/47/62/582504762.db2.gz QEMDBVIVKGLAAL-QMMMGPOBSA-N 0 0 211.286 2.179 10 0 BEAERN CC1(C)C[C@@]2(CO1)N[C@@H](c1ccco1)CCO2 ZINC000757147108 582530630 /nfs/dbraw/zinc/53/06/30/582530630.db2.gz MBJBXXPSCMXPGD-ZWNOBZJWSA-N 0 0 237.299 2.226 10 0 BEAERN Cc1nn(-c2cccnc2C=O)c(C)c1Cl ZINC000757163984 582545938 /nfs/dbraw/zinc/54/59/38/582545938.db2.gz GVCRTDZNALANQQ-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN Cc1ccoc1CSc1nccc(N)n1 ZINC000757165368 582547032 /nfs/dbraw/zinc/54/70/32/582547032.db2.gz KPDUTIXEDFODPN-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CCOC[C@@H](O)CSCc1occc1C ZINC000757166476 582547632 /nfs/dbraw/zinc/54/76/32/582547632.db2.gz UWADUSMXAQABKF-SNVBAGLBSA-N 0 0 230.329 2.219 10 0 BEAERN Cc1cc(Cl)nc(N2CC[C@@H](C)C2)n1 ZINC000757165808 582548183 /nfs/dbraw/zinc/54/81/83/582548183.db2.gz NPJJPMOFXPADBE-SSDOTTSWSA-N 0 0 211.696 2.285 10 0 BEAERN C[C@@H](SCc1ccc(Cl)o1)C(N)=O ZINC000757170120 582549971 /nfs/dbraw/zinc/54/99/71/582549971.db2.gz OMHWERVKNQYBRX-RXMQYKEDSA-N 0 0 219.693 2.040 10 0 BEAERN Cc1ccc(-c2c(N)[nH]c(=S)[nH]c2=O)cc1C ZINC000757178694 582552826 /nfs/dbraw/zinc/55/28/26/582552826.db2.gz GBJKGOQPZYUNGM-UHFFFAOYSA-N 0 0 247.323 2.337 10 0 BEAERN CCOC(=O)/C=C(\C)c1cnn(C(C)C)c1 ZINC000757188495 582556161 /nfs/dbraw/zinc/55/61/61/582556161.db2.gz BWCITHMFLBFFBV-UXBLZVDNSA-N 0 0 222.288 2.430 10 0 BEAERN CCOC(=O)/C=C/c1cnn(C(C)C)c1 ZINC000757192276 582556391 /nfs/dbraw/zinc/55/63/91/582556391.db2.gz XGWWTBPWOQICSB-AATRIKPKSA-N 0 0 208.261 2.040 10 0 BEAERN CCC1CCC([C@H]2C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000757193483 582557301 /nfs/dbraw/zinc/55/73/01/582557301.db2.gz QZBMTXHHHSDLNA-KIDURHIOSA-N 0 0 225.332 2.123 10 0 BEAERN Cc1ccc2oc([C@@H]3C[NH2+]C[C@H]3C(=O)[O-])cc2c1 ZINC000757193843 582557385 /nfs/dbraw/zinc/55/73/85/582557385.db2.gz SMZIHAUSQRYDQS-GHMZBOCLSA-N 0 0 245.278 2.129 10 0 BEAERN C[C@@H]1C[C@@H](C(CO)CO)CC(C)(C)C1 ZINC000757193516 582557613 /nfs/dbraw/zinc/55/76/13/582557613.db2.gz VTKIRIRLMIWFLL-NXEZZACHSA-N 0 0 200.322 2.050 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000757194073 582558466 /nfs/dbraw/zinc/55/84/66/582558466.db2.gz VLBUJBGBQGHFQC-MGPQQGTHSA-N 0 0 245.322 2.027 10 0 BEAERN Cc1cc(Cl)cc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])c1 ZINC000757195144 582558502 /nfs/dbraw/zinc/55/85/02/582558502.db2.gz ZXAJNVFMPZMGFQ-WDEREUQCSA-N 0 0 239.702 2.036 10 0 BEAERN Cc1nn(C2CCCCCC2)cc1C(N)=O ZINC000757195606 582558605 /nfs/dbraw/zinc/55/86/05/582558605.db2.gz JDMPUYVCWUDCBD-UHFFFAOYSA-N 0 0 221.304 2.186 10 0 BEAERN CC(=O)c1ccc([C@@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)cc1 ZINC000757209756 582560335 /nfs/dbraw/zinc/56/03/35/582560335.db2.gz CHSOJBIMJNSFFA-STQMWFEESA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](c2ccccc2)[NH2+]1 ZINC000757216042 582560983 /nfs/dbraw/zinc/56/09/83/582560983.db2.gz OTGWKHMAHHGUKV-JLLWLGSASA-N 0 0 219.284 2.200 10 0 BEAERN CC(C)(Br)COC(=O)C1CC1 ZINC000757212746 582561079 /nfs/dbraw/zinc/56/10/79/582561079.db2.gz QYTCXNMSQGGJGC-UHFFFAOYSA-N 0 0 221.094 2.113 10 0 BEAERN C[C@@H]1C[C@H](C)n2nc(C(F)(F)F)nc2N1 ZINC000235362166 582567182 /nfs/dbraw/zinc/56/71/82/582567182.db2.gz POILLCBYTMRUDV-UHNVWZDZSA-N 0 0 220.198 2.062 10 0 BEAERN C[C@H]1C[C@@H](c2cccc(C(=O)[O-])c2)CC[NH2+]1 ZINC000146977600 582599197 /nfs/dbraw/zinc/59/91/97/582599197.db2.gz XJLRJEYJJDQBBA-ONGXEEELSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@H]1CCn2nc3cc(F)ccc3c2N1 ZINC000235714978 582604982 /nfs/dbraw/zinc/60/49/82/582604982.db2.gz HMZIREGZMGDJSU-ZETCQYMHSA-N 0 0 205.236 2.380 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2c3ccc(N)cc3nn21 ZINC000235741380 582606259 /nfs/dbraw/zinc/60/62/59/582606259.db2.gz LSMBTORJRSPJBF-JGVFFNPUSA-N 0 0 216.288 2.384 10 0 BEAERN Cc1ccc(-c2nc3n(n2)CCCN3)cc1 ZINC000235984578 582634346 /nfs/dbraw/zinc/63/43/46/582634346.db2.gz KMURJNQPFBVSLZ-UHFFFAOYSA-N 0 0 214.272 2.069 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@@H](C)C[C@@H]2C ZINC000234600525 582642343 /nfs/dbraw/zinc/64/23/43/582642343.db2.gz OSJFJDMRFJJURS-IFFSRLJSSA-N 0 0 232.707 2.320 10 0 BEAERN Fc1ccc([C@H]2CCNc3ccnn32)cc1 ZINC000236238689 582642625 /nfs/dbraw/zinc/64/26/25/582642625.db2.gz ZRXRHBNCEYCAIF-LLVKDONJSA-N 0 0 217.247 2.427 10 0 BEAERN CCCCCn1cc(Br)c(N)n1 ZINC000040515994 582676066 /nfs/dbraw/zinc/67/60/66/582676066.db2.gz IVSFGHONKLJOTD-UHFFFAOYSA-N 0 0 232.125 2.418 10 0 BEAERN Cc1cc(C)cc([C@@H](O)c2cn[nH]c2)c1 ZINC000379771460 582683494 /nfs/dbraw/zinc/68/34/94/582683494.db2.gz AKYCZNBOHROLJE-GFCCVEGCSA-N 0 0 202.257 2.108 10 0 BEAERN O[C@H](Cc1ccccc1Cl)c1cn[nH]c1 ZINC000379846379 582684204 /nfs/dbraw/zinc/68/42/04/582684204.db2.gz HXVSJSVMQYPUHF-LLVKDONJSA-N 0 0 222.675 2.339 10 0 BEAERN Cc1cn(CCSC(C)(C)C)nc1N ZINC000308508954 582687195 /nfs/dbraw/zinc/68/71/95/582687195.db2.gz BCEFTHITGIRMAT-UHFFFAOYSA-N 0 0 213.350 2.305 10 0 BEAERN CC[C@H](C(=O)C1CC1)C(=O)C(C)(F)F ZINC000308508252 582687289 /nfs/dbraw/zinc/68/72/89/582687289.db2.gz AWCZWSVNCLZMKR-SSDOTTSWSA-N 0 0 204.216 2.216 10 0 BEAERN CO[C@H](C)CC(=O)OCc1ccoc1C ZINC000113678669 588848167 /nfs/dbraw/zinc/84/81/67/588848167.db2.gz FSXPQOXLHPZQIK-MRVPVSSYSA-N 0 0 212.245 2.056 10 0 BEAERN C/C=C(/C)C(=O)O[C@@H](CC(C)C)C(=O)OC ZINC000119631333 582786669 /nfs/dbraw/zinc/78/66/69/582786669.db2.gz WGWJECNFNXEQFO-MBACFSSFSA-N 0 0 228.288 2.084 10 0 BEAERN CCCOCCOC(=O)C1CCCC1 ZINC000107415403 582797974 /nfs/dbraw/zinc/79/79/74/582797974.db2.gz FOFSVZPMQPUQCJ-UHFFFAOYSA-N 0 0 200.278 2.146 10 0 BEAERN O=Cc1cnc(N2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000126351264 582858365 /nfs/dbraw/zinc/85/83/65/582858365.db2.gz PHBHMOIQANAUMM-RYUDHWBXSA-N 0 0 231.299 2.058 10 0 BEAERN Cc1ccc([C@H](O)c2cn[nH]c2)c(Cl)c1 ZINC000704488772 582943576 /nfs/dbraw/zinc/94/35/76/582943576.db2.gz QBQYCRZXWVBNED-LLVKDONJSA-N 0 0 222.675 2.453 10 0 BEAERN CSc1ccc([C@@H](O)c2cn[nH]c2)cc1 ZINC000704690800 582949945 /nfs/dbraw/zinc/94/99/45/582949945.db2.gz BZSJMFVEPNJOEV-LLVKDONJSA-N 0 0 220.297 2.213 10 0 BEAERN Nc1ccc(Br)c(OCCF)c1 ZINC000114028397 588865081 /nfs/dbraw/zinc/86/50/81/588865081.db2.gz CXUDOOKQZXBCNO-UHFFFAOYSA-N 0 0 234.068 2.380 10 0 BEAERN CCOC(=O)CC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000709245281 582994731 /nfs/dbraw/zinc/99/47/31/582994731.db2.gz SJIWRWZTCLBITM-CABZTGNLSA-N 0 0 210.273 2.089 10 0 BEAERN CC(C)n1nccc1CNCc1ccccn1 ZINC000394581396 582995156 /nfs/dbraw/zinc/99/51/56/582995156.db2.gz ZHDNRXSIDPTQBQ-UHFFFAOYSA-N 0 0 230.315 2.149 10 0 BEAERN CCCC[C@@]1(C)O[C@@]1(Cl)C(=O)OC ZINC000394594030 582995605 /nfs/dbraw/zinc/99/56/05/582995605.db2.gz XWYNZDKELAUYTF-BDAKNGLRSA-N 0 0 206.669 2.074 10 0 BEAERN C[C@H](C(=O)C(C)(C)C)C(=O)C(C)(F)F ZINC000395455393 583058391 /nfs/dbraw/zinc/05/83/91/583058391.db2.gz JCFQFTDJDQZJGN-ZCFIWIBFSA-N 0 0 206.232 2.462 10 0 BEAERN CC(C(=O)C(F)(F)F)=C(O)[C@H]1CC1(C)C ZINC000397625098 583103417 /nfs/dbraw/zinc/10/34/17/583103417.db2.gz SZQSDSCIXPSHQN-NTSWFWBYSA-N 0 0 222.206 2.369 10 0 BEAERN CC(C)C1CCC(C[C@@H](C[NH3+])C(=O)[O-])CC1 ZINC000393812552 583111991 /nfs/dbraw/zinc/11/19/91/583111991.db2.gz CYAHOLCKRIABPL-MCIGGMRASA-N 0 0 227.348 2.498 10 0 BEAERN CCn1cc(C(=O)OCc2cccs2)cn1 ZINC000114618713 588878452 /nfs/dbraw/zinc/87/84/52/588878452.db2.gz VTZWVUOTWWYXSL-UHFFFAOYSA-N 0 0 236.296 2.322 10 0 BEAERN CCN(Cc1ccccc1)c1ncc(C=O)cn1 ZINC000126273523 583205286 /nfs/dbraw/zinc/20/52/86/583205286.db2.gz NNRLMJKGMYRJNV-UHFFFAOYSA-N 0 0 241.294 2.316 10 0 BEAERN C[C@@H]1CCC[C@@H](N(C)c2ncc(C=O)cn2)C1 ZINC000126288682 583205819 /nfs/dbraw/zinc/20/58/19/583205819.db2.gz HSDXGBHJHPBLRU-ZYHUDNBSSA-N 0 0 233.315 2.304 10 0 BEAERN O[C@H]1CC[C@H](Nc2ncnc3ccccc32)CC1 ZINC000124709786 583208753 /nfs/dbraw/zinc/20/87/53/583208753.db2.gz ZHYFGWCJMQNDKU-PHIMTYICSA-N 0 0 243.310 2.345 10 0 BEAERN Cc1c([C@@H]2CC[C@@H](C)O2)nn2c1NCCC2 ZINC000235389129 583209635 /nfs/dbraw/zinc/20/96/35/583209635.db2.gz ZDCANSWJBXXDBY-SCZZXKLOSA-N 0 0 221.304 2.247 10 0 BEAERN CC(C)C1CCC([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000310442841 583587202 /nfs/dbraw/zinc/58/72/02/583587202.db2.gz XGFNLJPRJUNPBX-TYUFSLCMSA-N 0 0 239.359 2.369 10 0 BEAERN CCCc1c(N)n(C)nc1-c1ccco1 ZINC000026512033 583691057 /nfs/dbraw/zinc/69/10/57/583691057.db2.gz VBELXIDQEMPGLK-UHFFFAOYSA-N 0 0 205.261 2.215 10 0 BEAERN CCCCOC(=O)C1CCC(C(=O)OC)CC1 ZINC000115784273 588930286 /nfs/dbraw/zinc/93/02/86/588930286.db2.gz OMZGMDLZJMRTAO-UHFFFAOYSA-N 0 0 242.315 2.309 10 0 BEAERN CCCCOc1ncc(Cl)cc1N ZINC000148326347 583915757 /nfs/dbraw/zinc/91/57/57/583915757.db2.gz NOIMUEPUFHIFDG-UHFFFAOYSA-N 0 0 200.669 2.496 10 0 BEAERN CCn1nc(C)c([C@H](C)NCc2ccon2)c1C ZINC000148672881 584030736 /nfs/dbraw/zinc/03/07/36/584030736.db2.gz GYBRJRITVDSWHS-VIFPVBQESA-N 0 0 248.330 2.359 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCC(C)(C)C[C@H]2C ZINC000088133572 584907400 /nfs/dbraw/zinc/90/74/00/584907400.db2.gz AHSHWKJIDFQMMA-VDDIYKPWSA-N 0 0 212.289 2.143 10 0 BEAERN CCCC(=O)[C@@H](CC(=O)C(C)(C)C)C(=O)OC ZINC000038264276 585014073 /nfs/dbraw/zinc/01/40/73/585014073.db2.gz XBIZPLIMCCSHAZ-SECBINFHSA-N 0 0 242.315 2.150 10 0 BEAERN C[C@@H](C(=O)C1CCC1)C(=O)C(C)(F)F ZINC000323860187 585029106 /nfs/dbraw/zinc/02/91/06/585029106.db2.gz QGHVZAYFZZIWAW-LURJTMIESA-N 0 0 204.216 2.216 10 0 BEAERN CC(C)(C)OC(=O)/C=C/c1ccc(N)c(N)c1 ZINC000142473811 585030956 /nfs/dbraw/zinc/03/09/56/585030956.db2.gz WJUGHVGIYGHLKG-FNORWQNLSA-N 0 0 234.299 2.206 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OC2CCCCC2)O1 ZINC000121354709 585087546 /nfs/dbraw/zinc/08/75/46/585087546.db2.gz ZOGYFUIQVYDSEP-ONGXEEELSA-N 0 0 212.289 2.430 10 0 BEAERN CC(=O)c1ccc(OC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000121360052 585093093 /nfs/dbraw/zinc/09/30/93/585093093.db2.gz GQFAAETYKKJTPN-ZANVPECISA-N 0 0 248.278 2.362 10 0 BEAERN COCCCCOC(=O)C[C@@H]1C=CCC1 ZINC000103334052 585095144 /nfs/dbraw/zinc/09/51/44/585095144.db2.gz UYWVBUBSKSEYJE-LLVKDONJSA-N 0 0 212.289 2.313 10 0 BEAERN CS[C@H](C)C(=O)OCC1CCCC1 ZINC000103336166 585096311 /nfs/dbraw/zinc/09/63/11/585096311.db2.gz LPFKDCVJSFAZOV-MRVPVSSYSA-N 0 0 202.319 2.471 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccccc1OC ZINC000103357668 585096611 /nfs/dbraw/zinc/09/66/11/585096611.db2.gz KEBMOINZRGEVBY-JTQLQIEISA-N 0 0 238.283 2.021 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cc(C)cc(C)c1 ZINC000103357195 585096787 /nfs/dbraw/zinc/09/67/87/585096787.db2.gz DVMNKXWBHLSJIX-LLVKDONJSA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@H](C)C(=O)OC[C@H]1CC=CC[C@H]1C ZINC000103357768 585096811 /nfs/dbraw/zinc/09/68/11/585096811.db2.gz WIXVVXRHMRHHPU-GRYCIOLGSA-N 0 0 226.316 2.414 10 0 BEAERN COC[C@@H](C)C(=O)OC[C@H]1CC=CCC1 ZINC000103356663 585096821 /nfs/dbraw/zinc/09/68/21/585096821.db2.gz NWDLTDSPFFYJHR-MNOVXSKESA-N 0 0 212.289 2.168 10 0 BEAERN CC(C)CCSCC(=O)OC[C@H]1CCCO1 ZINC000103331026 585098024 /nfs/dbraw/zinc/09/80/24/585098024.db2.gz NJJMNJAPGSPFFU-LLVKDONJSA-N 0 0 246.372 2.488 10 0 BEAERN CS[C@H](C)C(=O)OCCOc1ccccc1 ZINC000103331005 585098298 /nfs/dbraw/zinc/09/82/98/585098298.db2.gz PCFKOHXOSLDWSU-SNVBAGLBSA-N 0 0 240.324 2.360 10 0 BEAERN COC[C@@H](C)C(=O)OCc1cccc(F)c1 ZINC000103552316 585335926 /nfs/dbraw/zinc/33/59/26/585335926.db2.gz MDGKJQHLOOIBGK-SECBINFHSA-N 0 0 226.247 2.151 10 0 BEAERN CC(C)CCSCC(=O)OC[C@H]1CCOC1 ZINC000103657417 586271152 /nfs/dbraw/zinc/27/11/52/586271152.db2.gz QGKFAWSBHIUYOA-NSHDSACASA-N 0 0 246.372 2.345 10 0 BEAERN CN(C)c1nc(-c2cscn2)nc2[nH]ccc21 ZINC000757568128 586336644 /nfs/dbraw/zinc/33/66/44/586336644.db2.gz OTALXTOIBYPSTM-UHFFFAOYSA-N 0 0 245.311 2.147 10 0 BEAERN COC[C@H](C)C(=O)OCCc1cccs1 ZINC000103688654 586412542 /nfs/dbraw/zinc/41/25/42/586412542.db2.gz XGGJBMVRCPDSQY-VIFPVBQESA-N 0 0 228.313 2.116 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)OCC(C)(C)C ZINC000103700818 586418225 /nfs/dbraw/zinc/41/82/25/586418225.db2.gz CKDXNHGZWJJLLI-UHFFFAOYSA-N 0 0 224.304 2.240 10 0 BEAERN C[C@@H](OC[C@@H]1CCCO1)C(=O)OCC(C)(C)C ZINC000103699952 586418254 /nfs/dbraw/zinc/41/82/54/586418254.db2.gz LLAJNHWLXDTJNO-MNOVXSKESA-N 0 0 244.331 2.160 10 0 BEAERN Cc1cc(C[C@H](NN)C(F)F)ccc1Cl ZINC000757162023 586431492 /nfs/dbraw/zinc/43/14/92/586431492.db2.gz ZOLWNMNKQQXVMY-VIFPVBQESA-N 0 0 234.677 2.288 10 0 BEAERN CCOC(=O)[C@@]1(F)C[C@@H](C(C)C)CCC1=O ZINC000757182039 586433344 /nfs/dbraw/zinc/43/33/44/586433344.db2.gz FFARWKSEJFLGDS-JOYOIKCWSA-N 0 0 230.279 2.283 10 0 BEAERN CN1CCC[C@@H]1C(=O)c1c[nH]c2cc(N)ccc12 ZINC000757177931 586433391 /nfs/dbraw/zinc/43/33/91/586433391.db2.gz OPTAJUWOPANGJB-CYBMUJFWSA-N 0 0 243.310 2.027 10 0 BEAERN CC[N@H+]1C[C@@H](c2c(C)cccc2C)[C@H](C(=O)[O-])C1 ZINC000757185767 586434127 /nfs/dbraw/zinc/43/41/27/586434127.db2.gz CPCYQTKDYCMGTK-CHWSQXEVSA-N 0 0 247.338 2.423 10 0 BEAERN CCOC(=O)c1nc(N)sc1[C@H](C)CC ZINC000757186025 586434484 /nfs/dbraw/zinc/43/44/84/586434484.db2.gz FUCMDQYPRXNBTJ-ZCFIWIBFSA-N 0 0 228.317 2.416 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2cccc(C)c2C)C1 ZINC000757194147 586436484 /nfs/dbraw/zinc/43/64/84/586436484.db2.gz YPUVFINYPPGDAY-KGLIPLIRSA-N 0 0 247.338 2.423 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757207048 586437298 /nfs/dbraw/zinc/43/72/98/586437298.db2.gz AUSNRBYTVVTELO-WQAKAFBOSA-N 0 0 247.294 2.013 10 0 BEAERN O=C([O-])[C@@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757220412 586442429 /nfs/dbraw/zinc/44/24/29/586442429.db2.gz ZBGNPABWOUHBPE-DGCLKSJQSA-N 0 0 244.294 2.293 10 0 BEAERN C[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757228517 586442891 /nfs/dbraw/zinc/44/28/91/586442891.db2.gz CVTSQGOYPKWFGM-SKDRFNHKSA-N 0 0 219.284 2.098 10 0 BEAERN COc1cccc(C23CC(C2)C(=O)C3)c1 ZINC000757542210 586458697 /nfs/dbraw/zinc/45/86/97/586458697.db2.gz JKJHVZVBWBLCOA-UHFFFAOYSA-N 0 0 202.253 2.316 10 0 BEAERN CNc1nc(C(C)(C)C)nc2[nH]ccc21 ZINC000757564932 586461250 /nfs/dbraw/zinc/46/12/50/586461250.db2.gz HBZURZBMHJWRFH-UHFFFAOYSA-N 0 0 204.277 2.249 10 0 BEAERN CCn1nc(Cl)c(N)c1C(F)(F)F ZINC000757565732 586461656 /nfs/dbraw/zinc/46/16/56/586461656.db2.gz BAWNTZFKDPKRMG-UHFFFAOYSA-N 0 0 213.590 2.157 10 0 BEAERN CN1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757571560 586462710 /nfs/dbraw/zinc/46/27/10/586462710.db2.gz LIPDAUZDFAOLCF-UHFFFAOYSA-N 0 0 219.259 2.357 10 0 BEAERN Cc1cccc(OC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000121364655 587389053 /nfs/dbraw/zinc/38/90/53/587389053.db2.gz VKYMPGWAUVAXMO-PWSUYJOCSA-N 0 0 220.268 2.468 10 0 BEAERN COc1cc(OC)cc(OC(=O)[C@@H]2C[C@H]2C)c1 ZINC000121420190 587807851 /nfs/dbraw/zinc/80/78/51/587807851.db2.gz XTQRAPGSMVQYQC-PRHODGIISA-N 0 0 236.267 2.265 10 0 BEAERN Cc1ccc(OC(=O)c2cnn(C)c2)cc1C ZINC000102706954 587853170 /nfs/dbraw/zinc/85/31/70/587853170.db2.gz JEEVQFAFQKNGBH-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1csc(NC)n1 ZINC000121499659 587950452 /nfs/dbraw/zinc/95/04/52/587950452.db2.gz IPUZHEFDUSMULB-YUMQZZPRSA-N 0 0 239.344 2.103 10 0 BEAERN Cc1cccc(NC(=O)n2ccnc2)c1 ZINC000105999701 588239638 /nfs/dbraw/zinc/23/96/38/588239638.db2.gz GGXBFAVKSWBTRB-UHFFFAOYSA-N 0 0 201.229 2.272 10 0 BEAERN CCCOCCOC(=O)Cc1cccs1 ZINC000107415390 588363073 /nfs/dbraw/zinc/36/30/73/588363073.db2.gz GLJFSJYWEVIAIK-UHFFFAOYSA-N 0 0 228.313 2.260 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)C2=COCCC2)C1 ZINC000107425490 588364163 /nfs/dbraw/zinc/36/41/63/588364163.db2.gz XQTIPWRSPCLNHY-NWDGAFQWSA-N 0 0 240.299 2.182 10 0 BEAERN COc1ccc(OC(=O)C2=COCCC2)cc1 ZINC000107425174 588364527 /nfs/dbraw/zinc/36/45/27/588364527.db2.gz HHMJQVLUNVCJPE-UHFFFAOYSA-N 0 0 234.251 2.295 10 0 BEAERN CCCCCCOCC(=O)N[C@H]1C[C@H]1C ZINC000107589839 588383921 /nfs/dbraw/zinc/38/39/21/588383921.db2.gz LYVCCEGVXXZUDA-MNOVXSKESA-N 0 0 213.321 2.108 10 0 BEAERN CSC[C@H](C)C(=O)OC[C@H]1C[C@H]1C ZINC000109039495 588512727 /nfs/dbraw/zinc/51/27/27/588512727.db2.gz UKXBHQXGKPLVKB-HRDYMLBCSA-N 0 0 202.319 2.185 10 0 BEAERN Cc1ccc(C)c(C(=O)OCC(=O)C2CC2)c1 ZINC000109367249 588556624 /nfs/dbraw/zinc/55/66/24/588556624.db2.gz OBSDJJHSXAERQZ-UHFFFAOYSA-N 0 0 232.279 2.439 10 0 BEAERN O=C(/C=C/c1cccc(F)c1)OCC(=O)C1CC1 ZINC000109367334 588556639 /nfs/dbraw/zinc/55/66/39/588556639.db2.gz KQMWKZQAAIJGKH-QPJJXVBHSA-N 0 0 248.253 2.361 10 0 BEAERN COc1cc(C(=O)OCC(=O)C2CC2)ccc1C ZINC000109368073 588556794 /nfs/dbraw/zinc/55/67/94/588556794.db2.gz GWTTZHJSAOXCAQ-UHFFFAOYSA-N 0 0 248.278 2.140 10 0 BEAERN CC(C)(C(=O)OCC(=O)C1CC1)c1ccccc1 ZINC000109368487 588556913 /nfs/dbraw/zinc/55/69/13/588556913.db2.gz PFJPRAXNKQBVJW-UHFFFAOYSA-N 0 0 246.306 2.487 10 0 BEAERN Cc1nnc(-c2ccccc2C=O)s1 ZINC000117634124 589109132 /nfs/dbraw/zinc/10/91/32/589109132.db2.gz MDWFOGBUGHMUMU-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CCCCCC(=O)OCc1nnc(CC)n1C ZINC000118616262 589182652 /nfs/dbraw/zinc/18/26/52/589182652.db2.gz MXKIKHLASJKBND-UHFFFAOYSA-N 0 0 239.319 2.001 10 0 BEAERN CC1(C)CCC(O)=C(C(=O)C(F)F)C1 ZINC000203558596 589247001 /nfs/dbraw/zinc/24/70/01/589247001.db2.gz FTHAZQOKUWDYGP-ZCFIWIBFSA-N 0 0 204.216 2.216 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)C2CC=CC2)C1 ZINC000119365749 589275030 /nfs/dbraw/zinc/27/50/30/589275030.db2.gz OOQKDWRAOMULKP-NWDGAFQWSA-N 0 0 224.300 2.453 10 0 BEAERN CCC(=O)c1cccc(-n2cccn2)c1 ZINC000204866777 589381262 /nfs/dbraw/zinc/38/12/62/589381262.db2.gz QGLGUMNMJPMDIX-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN CCCC(=O)NCC(=O)O[C@@H](C)c1ccccc1 ZINC000120236161 589393850 /nfs/dbraw/zinc/39/38/50/589393850.db2.gz POMLQBIXOGTSEK-NSHDSACASA-N 0 0 249.310 2.207 10 0 BEAERN CC/C=C/COC(=O)C[C@H]1CCCCO1 ZINC000120610259 589444504 /nfs/dbraw/zinc/44/45/04/589444504.db2.gz VBDUFZGEOFOMFR-JOAKQRRISA-N 0 0 212.289 2.455 10 0 BEAERN O=C(/C=C/c1ccco1)OCC(F)(F)F ZINC000121131278 589502847 /nfs/dbraw/zinc/50/28/47/589502847.db2.gz OCUANWTXXVTSBC-ONEGZZNKSA-N 0 0 220.146 2.398 10 0 BEAERN CCOCCCCOC(=O)C[C@H]1CCCCO1 ZINC000121606653 589520856 /nfs/dbraw/zinc/52/08/56/589520856.db2.gz ZYUXDNJEZJWSEA-GFCCVEGCSA-N 0 0 244.331 2.306 10 0 BEAERN O=C(C[C@@H]1CCCCO1)OC1(C2CC2)CC1 ZINC000121748169 589529387 /nfs/dbraw/zinc/52/93/87/589529387.db2.gz JGXSLTXGTMYYIT-NSHDSACASA-N 0 0 224.300 2.431 10 0 BEAERN CC(C)CCOC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000122231691 589567478 /nfs/dbraw/zinc/56/74/78/589567478.db2.gz QVTUALGFSRCZDR-ZJUUUORDSA-N 0 0 200.278 2.143 10 0 BEAERN O=C(Cc1cccs1)OCC(F)(F)F ZINC000122293337 589576917 /nfs/dbraw/zinc/57/69/17/589576917.db2.gz VTIZLEQSLQRZSX-UHFFFAOYSA-N 0 0 224.203 2.396 10 0 BEAERN Cc1cccc(OCC(=O)OCC(F)(F)F)c1 ZINC000122297269 589577363 /nfs/dbraw/zinc/57/73/63/589577363.db2.gz SMOKPJIFDSKSKR-UHFFFAOYSA-N 0 0 248.200 2.479 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCc2ccc(F)cc2)O1 ZINC000122303665 589577495 /nfs/dbraw/zinc/57/74/95/589577495.db2.gz BPTGJSTYPHBUIC-JOYOIKCWSA-N 0 0 238.258 2.436 10 0 BEAERN Cc1nc(CC(=O)OCC(F)(F)F)cs1 ZINC000122302098 589577519 /nfs/dbraw/zinc/57/75/19/589577519.db2.gz QLEOEDCKWSVDCY-UHFFFAOYSA-N 0 0 239.218 2.100 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCc2cccs2)O1 ZINC000122315993 589578264 /nfs/dbraw/zinc/57/82/64/589578264.db2.gz RAJRLTDXEWIVLL-PSASIEDQSA-N 0 0 226.297 2.359 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCCCc2ccncc2)O1 ZINC000122380156 589585088 /nfs/dbraw/zinc/58/50/88/589585088.db2.gz NADVJYCXXAPHJI-WCQYABFASA-N 0 0 249.310 2.125 10 0 BEAERN CNC(=S)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000122412866 589586987 /nfs/dbraw/zinc/58/69/87/589586987.db2.gz PURHWFKBRRYZIB-NXEZZACHSA-N 0 0 214.378 2.295 10 0 BEAERN CCCCC[C@H](CC)C(=O)N1CC(CO)C1 ZINC000122780695 589631331 /nfs/dbraw/zinc/63/13/31/589631331.db2.gz QNSJGDWSPZRBEY-LBPRGKRZSA-N 0 0 227.348 2.044 10 0 BEAERN O=C(C[C@H]1C=CCC1)OC[C@H]1CCCO1 ZINC000122861799 589640200 /nfs/dbraw/zinc/64/02/00/589640200.db2.gz RFSGKIWQDGOLSU-WDEREUQCSA-N 0 0 210.273 2.065 10 0 BEAERN CC(C)[C@H](C)OC(=O)c1cccc(F)n1 ZINC000123026832 589653040 /nfs/dbraw/zinc/65/30/40/589653040.db2.gz VPAZLEMQFAQOPE-QMMMGPOBSA-N 0 0 211.236 2.422 10 0 BEAERN COc1ccc(N)cc1C(=O)O[C@@H](C)C(C)C ZINC000123527191 589747359 /nfs/dbraw/zinc/74/73/59/589747359.db2.gz MTUHSKZYFGDRFF-VIFPVBQESA-N 0 0 237.299 2.479 10 0 BEAERN CCCCCC(=O)OCc1nccn1C ZINC000123625101 589758507 /nfs/dbraw/zinc/75/85/07/589758507.db2.gz KBTHEIOEODYIRN-UHFFFAOYSA-N 0 0 210.277 2.044 10 0 BEAERN COC[C@@H](C)NC(=S)N[C@@H](C)C1CCCC1 ZINC000123621337 589758676 /nfs/dbraw/zinc/75/86/76/589758676.db2.gz LFHDQVQYUDXUNK-ZJUUUORDSA-N 0 0 244.404 2.064 10 0 BEAERN CC(C)COC(=O)c1ccnc(-n2ccnc2)c1 ZINC000123904023 589850705 /nfs/dbraw/zinc/85/07/05/589850705.db2.gz ZRAGXYMUCIHSLH-UHFFFAOYSA-N 0 0 245.282 2.080 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Oc2cc(F)cc(F)c2)O1 ZINC000123969602 589888166 /nfs/dbraw/zinc/88/81/66/589888166.db2.gz LDMUMNQQACBGKU-HQJQHLMTSA-N 0 0 242.221 2.438 10 0 BEAERN CC(C)CCCOC(=O)CCc1ccnn1C ZINC000124033700 589906649 /nfs/dbraw/zinc/90/66/49/589906649.db2.gz WMZMQYDNLJDXHG-UHFFFAOYSA-N 0 0 238.331 2.332 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCC(C)(C)C)O1 ZINC000124098017 589937399 /nfs/dbraw/zinc/93/73/99/589937399.db2.gz IVKSNAAWAJTJKN-DTWKUNHWSA-N 0 0 200.278 2.143 10 0 BEAERN CCCOCCOC(=O)C1=CCCCC1 ZINC000124121405 589947555 /nfs/dbraw/zinc/94/75/55/589947555.db2.gz LWKNYBDMWJNWNK-UHFFFAOYSA-N 0 0 212.289 2.457 10 0 BEAERN Cc1ncsc1COC(=O)[C@@H]1CC[C@H](C)O1 ZINC000124166695 589957618 /nfs/dbraw/zinc/95/76/18/589957618.db2.gz LODASPDFPBCUBY-CBAPKCEASA-N 0 0 241.312 2.062 10 0 BEAERN COC[C@H](C)OC(=O)CCCC[C@@H](C)C(C)=O ZINC000124264006 589971077 /nfs/dbraw/zinc/97/10/77/589971077.db2.gz WNNGZJQTWOFDCT-MNOVXSKESA-N 0 0 244.331 2.350 10 0 BEAERN Cc1nnc(COC(=O)C2=CCCCCC2)n1C ZINC000124427636 589990012 /nfs/dbraw/zinc/99/00/12/589990012.db2.gz FGYVCLRWHWJIEO-UHFFFAOYSA-N 0 0 249.314 2.057 10 0 BEAERN CC[C@H](NC(=S)NC1CC1)c1nccs1 ZINC000125189402 590150379 /nfs/dbraw/zinc/15/03/79/590150379.db2.gz UYLLYJFMOYTSMC-QMMMGPOBSA-N 0 0 241.385 2.221 10 0 BEAERN CC[C@H]1CCCCCN1C(=S)NCCOC ZINC000125364580 590162757 /nfs/dbraw/zinc/16/27/57/590162757.db2.gz SAMKEIDNKKZOTA-NSHDSACASA-N 0 0 244.404 2.162 10 0 BEAERN C[C@@H](NC(=O)CSC(C)(C)C)c1ncc[nH]1 ZINC000125386009 590163061 /nfs/dbraw/zinc/16/30/61/590163061.db2.gz OFEXVXWLSXCHKA-MRVPVSSYSA-N 0 0 241.360 2.119 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC2(C3CC3)CC2)O1 ZINC000125486151 590166478 /nfs/dbraw/zinc/16/64/78/590166478.db2.gz MITXKHGREUXFEG-PSASIEDQSA-N 0 0 210.273 2.040 10 0 BEAERN O=C(OCc1ccoc1)c1cnn2c1CCCC2 ZINC000125651593 590176567 /nfs/dbraw/zinc/17/65/67/590176567.db2.gz DVGKYWIYMMCIGK-UHFFFAOYSA-N 0 0 246.266 2.169 10 0 BEAERN CCC(C)(C)COC(=O)CCc1ccnn1C ZINC000126394115 590297657 /nfs/dbraw/zinc/29/76/57/590297657.db2.gz VMAUNGSIPFUKOK-UHFFFAOYSA-N 0 0 238.331 2.332 10 0 BEAERN Cc1nn(C)c(C)c1CCOC(=O)CC(C)C ZINC000126623671 590376669 /nfs/dbraw/zinc/37/66/69/590376669.db2.gz MITRBOQKLPQRAN-UHFFFAOYSA-N 0 0 238.331 2.169 10 0 BEAERN CCCC[C@H](C)OC(=O)Cc1cnn(C)c1 ZINC000126655966 590393391 /nfs/dbraw/zinc/39/33/91/590393391.db2.gz AFOYBSWFCPVCBB-JTQLQIEISA-N 0 0 224.304 2.085 10 0 BEAERN CCCC[C@H](C)OC(=O)CNC(=O)CCC ZINC000126674153 590397296 /nfs/dbraw/zinc/39/72/96/590397296.db2.gz GWMBUKXQNXWUST-JTQLQIEISA-N 0 0 229.320 2.025 10 0 BEAERN Cc1ccn2ncc(C(=O)OC3(C)CCC3)c2n1 ZINC000126689856 590416894 /nfs/dbraw/zinc/41/68/94/590416894.db2.gz JUKJUOLNXJVRML-UHFFFAOYSA-N 0 0 245.282 2.137 10 0 BEAERN CCc1cc(C)c(C(=O)OC[C@@H]2CCCO2)o1 ZINC000126798044 590446697 /nfs/dbraw/zinc/44/66/97/590446697.db2.gz FBRGWXXRGRANQD-NSHDSACASA-N 0 0 238.283 2.486 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1ccnn1C ZINC000126856488 590475372 /nfs/dbraw/zinc/47/53/72/590475372.db2.gz IJFWSDCYSZFZCM-SECBINFHSA-N 0 0 210.277 2.156 10 0 BEAERN CC(C)CCC(=O)NCC(=O)OC1(C)CCC1 ZINC000126863495 590475567 /nfs/dbraw/zinc/47/55/67/590475567.db2.gz SZKFLBHSLYFQPA-UHFFFAOYSA-N 0 0 241.331 2.025 10 0 BEAERN CCCC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000126919800 590497590 /nfs/dbraw/zinc/49/75/90/590497590.db2.gz QEAUQPCKBCSGKW-INTQDDNPSA-N 0 0 212.289 2.143 10 0 BEAERN CC1(OC(=O)C[C@@H]2CCCCO2)CCC1 ZINC000126949573 590514328 /nfs/dbraw/zinc/51/43/28/590514328.db2.gz ICEYNEVNVRKQMP-JTQLQIEISA-N 0 0 212.289 2.431 10 0 BEAERN CCCC[C@@H](C)OC(=O)CNC(=O)C(C)(C)C ZINC000126962583 590525201 /nfs/dbraw/zinc/52/52/01/590525201.db2.gz IMJVIELOWWNEEI-SNVBAGLBSA-N 0 0 243.347 2.271 10 0 BEAERN C[C@H](C(=O)OCc1nccn1C)c1ccccc1 ZINC000127059444 590552937 /nfs/dbraw/zinc/55/29/37/590552937.db2.gz IUEFNAHWPSVRSA-NSHDSACASA-N 0 0 244.294 2.267 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)nc2)O1 ZINC000127134508 590574349 /nfs/dbraw/zinc/57/43/49/590574349.db2.gz QYRJWRCZFJSHNE-IONNQARKSA-N 0 0 240.690 2.241 10 0 BEAERN CCn1cc(C(=O)O[C@@H](C)C(C)C)cn1 ZINC000127330017 590621638 /nfs/dbraw/zinc/62/16/38/590621638.db2.gz FLHDVBOUJZXBRS-VIFPVBQESA-N 0 0 210.277 2.104 10 0 BEAERN CC[C@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000127325271 590621672 /nfs/dbraw/zinc/62/16/72/590621672.db2.gz GBXRVONQYPGKNV-NSHDSACASA-N 0 0 210.321 2.324 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000127393122 590636751 /nfs/dbraw/zinc/63/67/51/590636751.db2.gz MYOMPOWULHYEFX-ZJUUUORDSA-N 0 0 243.347 2.125 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@@H]1CCCOC1 ZINC000127622116 590726120 /nfs/dbraw/zinc/72/61/20/590726120.db2.gz XZCXNFBTWTYKGA-NXEZZACHSA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)NC(=S)N1C[C@H](C)CC[C@@H]1C ZINC000127946265 590850089 /nfs/dbraw/zinc/85/00/89/590850089.db2.gz MHZQBBHRJWQNLJ-ZJUUUORDSA-N 0 0 214.378 2.390 10 0 BEAERN CCN(CC)C(=O)CCC(=O)O[C@@H](C)C(C)C ZINC000127993073 590864210 /nfs/dbraw/zinc/86/42/10/590864210.db2.gz MRJGIERVFNXGPM-NSHDSACASA-N 0 0 243.347 2.223 10 0 BEAERN CCOCCO[C@H](C)C(=O)O[C@H](C)C(C)C ZINC000128054762 590885073 /nfs/dbraw/zinc/88/50/73/590885073.db2.gz GKMBUIWBCFAIPO-GHMZBOCLSA-N 0 0 232.320 2.016 10 0 BEAERN C=COCCOC(=O)c1cc(OC)cs1 ZINC000128349547 591001150 /nfs/dbraw/zinc/00/11/50/591001150.db2.gz OMBYUZPXSTUGBD-UHFFFAOYSA-N 0 0 228.269 2.074 10 0 BEAERN Cc1cc(OCc2cccnc2Cl)nn1C ZINC000128386902 591015359 /nfs/dbraw/zinc/01/53/59/591015359.db2.gz WXHOJWYJLFHMCS-UHFFFAOYSA-N 0 0 237.690 2.356 10 0 BEAERN C=COCCOC(=O)CCc1ccsc1 ZINC000128395034 591017701 /nfs/dbraw/zinc/01/77/01/591017701.db2.gz POJSUBDTFIUJJH-UHFFFAOYSA-N 0 0 226.297 2.384 10 0 BEAERN C=COCCOC(=O)c1ccc(OC)cc1C ZINC000128401177 591030357 /nfs/dbraw/zinc/03/03/57/591030357.db2.gz RSWFDGLRBJAYKO-UHFFFAOYSA-N 0 0 236.267 2.321 10 0 BEAERN CC[C@H](C)c1noc(-c2ccc(N)cn2)n1 ZINC000128429472 591037754 /nfs/dbraw/zinc/03/77/54/591037754.db2.gz ITNHSBYYEIDZQM-ZETCQYMHSA-N 0 0 218.260 2.227 10 0 BEAERN CC(C)(C)COC(=O)[C@H]1CSCCS1 ZINC000128451111 591063613 /nfs/dbraw/zinc/06/36/13/591063613.db2.gz RGRIILMWTJVDET-MRVPVSSYSA-N 0 0 234.386 2.424 10 0 BEAERN O=C1CCN[C@@H]1c1cccc(Br)c1 ZINC000211077512 591112707 /nfs/dbraw/zinc/11/27/07/591112707.db2.gz UEWJIOFNJMTQLL-SNVBAGLBSA-N 0 0 240.100 2.053 10 0 BEAERN CC[C@@H](O)c1ccc(OCc2ccn(C)n2)cc1 ZINC000211629471 591208826 /nfs/dbraw/zinc/20/88/26/591208826.db2.gz XPAIPDFQSZMSSS-CQSZACIVSA-N 0 0 246.310 2.443 10 0 BEAERN Cc1cccn(CCSC(F)(F)F)c1=O ZINC000129178467 591266823 /nfs/dbraw/zinc/26/68/23/591266823.db2.gz YNWVJMGRIWRFOK-UHFFFAOYSA-N 0 0 237.246 2.410 10 0 BEAERN CNC(=S)N[C@H](C)c1ccc(C)c(F)c1 ZINC000130104629 591437561 /nfs/dbraw/zinc/43/75/61/591437561.db2.gz QPIXPNNDDDWRKE-MRVPVSSYSA-N 0 0 226.320 2.289 10 0 BEAERN CO[C@H](C)CCOC(=O)/C=C/c1cccnc1 ZINC000130232895 591449056 /nfs/dbraw/zinc/44/90/56/591449056.db2.gz YDUUBDISSRCWLU-MVIFTORASA-N 0 0 235.283 2.063 10 0 BEAERN CCOCCCC(=O)OC1(C)CCC1 ZINC000131101764 591553348 /nfs/dbraw/zinc/55/33/48/591553348.db2.gz AISOIWPOGXAETR-UHFFFAOYSA-N 0 0 200.278 2.289 10 0 BEAERN Cc1noc(C)c1CC(=O)OC1(C)CCC1 ZINC000131107197 591553689 /nfs/dbraw/zinc/55/36/89/591553689.db2.gz VYXXYRLUSPNYJT-UHFFFAOYSA-N 0 0 223.272 2.320 10 0 BEAERN CO[C@@H](C)CC(=O)NCCC1=CCCC1 ZINC000131675335 591637349 /nfs/dbraw/zinc/63/73/49/591637349.db2.gz CHKFTMFOWOFNAW-JTQLQIEISA-N 0 0 211.305 2.028 10 0 BEAERN COC[C@@H](OC(=O)c1cccc(F)c1)C1CC1 ZINC000131776991 591655708 /nfs/dbraw/zinc/65/57/08/591655708.db2.gz MIRSINBICRLMGV-GFCCVEGCSA-N 0 0 238.258 2.408 10 0 BEAERN COC[C@@H](OC(=O)CC(C)C)C1CC1 ZINC000131915975 591676589 /nfs/dbraw/zinc/67/65/89/591676589.db2.gz KPSFCIDIPNHBPJ-SNVBAGLBSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H](OC(=O)/C=C/c1cccnc1)[C@@H]1CCOC1 ZINC000132313214 591700906 /nfs/dbraw/zinc/70/09/06/591700906.db2.gz GOAQISGSTXLABG-SOHMCZBRSA-N 0 0 247.294 2.063 10 0 BEAERN COC[C@@H](OC(=O)c1scnc1C)C1CC1 ZINC000132324461 591701792 /nfs/dbraw/zinc/70/17/92/591701792.db2.gz HVMXFCVJZOHCMS-SECBINFHSA-N 0 0 241.312 2.033 10 0 BEAERN COC[C@@H](OC(=O)c1cccs1)C1CC1 ZINC000132413404 591706475 /nfs/dbraw/zinc/70/64/75/591706475.db2.gz JSAXGZHAUZUZTQ-SECBINFHSA-N 0 0 226.297 2.330 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@@H]1CCCCO1 ZINC000132627814 591724104 /nfs/dbraw/zinc/72/41/04/591724104.db2.gz DZGLPJLWRIFCLQ-ZJUUUORDSA-N 0 0 200.278 2.143 10 0 BEAERN CCc1noc(C)c1NC(=O)C=C(C)C ZINC000132616893 591724591 /nfs/dbraw/zinc/72/45/91/591724591.db2.gz WPPCSSVMRLRWFE-UHFFFAOYSA-N 0 0 208.261 2.450 10 0 BEAERN Cc1nc(C)n(C[C@H](O)c2cc(C)cc(C)c2)n1 ZINC000133490651 591803686 /nfs/dbraw/zinc/80/36/86/591803686.db2.gz HHSOXCWDELJLTQ-AWEZNQCLSA-N 0 0 245.326 2.245 10 0 BEAERN Cc1ccccc1OCCn1ccc([C@H](C)O)n1 ZINC000133706335 591849538 /nfs/dbraw/zinc/84/95/38/591849538.db2.gz UVHKXQALZGSHEF-LBPRGKRZSA-N 0 0 246.310 2.324 10 0 BEAERN C[C@@H](O)c1ccn(CCN(C)c2ccccc2)n1 ZINC000133717548 591850115 /nfs/dbraw/zinc/85/01/15/591850115.db2.gz HTHLYLTXUDLLRL-GFCCVEGCSA-N 0 0 245.326 2.073 10 0 BEAERN C[C@@H](O)c1ccn(Cc2ccc(F)cc2F)n1 ZINC000133723736 591851395 /nfs/dbraw/zinc/85/13/95/591851395.db2.gz PPTXEHBVEAQWIQ-MRVPVSSYSA-N 0 0 238.237 2.263 10 0 BEAERN Cc1c(CCC(=O)O[C@@H](C)C(C)C)cnn1C ZINC000133747197 591852265 /nfs/dbraw/zinc/85/22/65/591852265.db2.gz OXBPONVVMGZPPF-NSHDSACASA-N 0 0 238.331 2.249 10 0 BEAERN COC(=O)Nc1ccccc1C(=O)N[C@H]1C[C@H]1C ZINC000112896600 591853999 /nfs/dbraw/zinc/85/39/99/591853999.db2.gz FLCHUYXLGKLJKQ-KCJUWKMLSA-N 0 0 248.282 2.003 10 0 BEAERN COC(=O)Nc1ccccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000112896603 591854507 /nfs/dbraw/zinc/85/45/07/591854507.db2.gz FLCHUYXLGKLJKQ-GZMMTYOYSA-N 0 0 248.282 2.003 10 0 BEAERN COC(=O)/C=C1/CCc2ccc(OC)cc21 ZINC000133887151 591865753 /nfs/dbraw/zinc/86/57/53/591865753.db2.gz BKYKFZZYGRLTOG-YFHOEESVSA-N 0 0 218.252 2.198 10 0 BEAERN COC(=O)/C=C(/C)c1ccc2c(c1)OCCCO2 ZINC000133892722 591867409 /nfs/dbraw/zinc/86/74/09/591867409.db2.gz IERQOVRLDZOPHY-NTMALXAHSA-N 0 0 248.278 2.424 10 0 BEAERN CCn1ccnc1CN(C)OCc1ccccc1 ZINC000134136150 591892230 /nfs/dbraw/zinc/89/22/30/591892230.db2.gz GLDVULMWWMUKJH-UHFFFAOYSA-N 0 0 245.326 2.467 10 0 BEAERN CCc1cnn(-c2ccccc2C=O)c1 ZINC000215020324 591917544 /nfs/dbraw/zinc/91/75/44/591917544.db2.gz GCCIZWCNKBREQU-UHFFFAOYSA-N 0 0 200.241 2.247 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)Oc1ccccc1 ZINC000134444812 591927560 /nfs/dbraw/zinc/92/75/60/591927560.db2.gz BAIWHDLHWMYSAJ-UHFFFAOYSA-N 0 0 236.267 2.181 10 0 BEAERN Cc1c(Cl)nnc(N[C@H]2CCO[C@@H]2C)c1C ZINC000134583337 591938691 /nfs/dbraw/zinc/93/86/91/591938691.db2.gz ICGAMVVGFKZKPM-BDAKNGLRSA-N 0 0 241.722 2.336 10 0 BEAERN Cc1nnc(CNCc2ccccc2)s1 ZINC000134663465 591945859 /nfs/dbraw/zinc/94/58/59/591945859.db2.gz JKHCMROVKXBHNQ-UHFFFAOYSA-N 0 0 219.313 2.136 10 0 BEAERN Cc1nnc(CNCc2cccs2)s1 ZINC000134665549 591946697 /nfs/dbraw/zinc/94/66/97/591946697.db2.gz IXSBBYDWDZXDFC-UHFFFAOYSA-N 0 0 225.342 2.198 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccc(F)cc1F ZINC000134674884 591946709 /nfs/dbraw/zinc/94/67/09/591946709.db2.gz OYWSRPGAGRBWQB-UHFFFAOYSA-N 0 0 237.209 2.249 10 0 BEAERN CCOc1ccccc1C(=O)Nc1n[nH]cc1C ZINC000134683277 591946728 /nfs/dbraw/zinc/94/67/28/591946728.db2.gz GKBNLUFRDGUTCT-UHFFFAOYSA-N 0 0 245.282 2.369 10 0 BEAERN Cc1c[nH]nc1NC(=O)Cc1ccc(F)cc1 ZINC000134685940 591946903 /nfs/dbraw/zinc/94/69/03/591946903.db2.gz QYGITGHOZUAGTG-UHFFFAOYSA-N 0 0 233.246 2.038 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1c(C)oc(C)c1C ZINC000134690483 591947100 /nfs/dbraw/zinc/94/71/00/591947100.db2.gz TYQBWNMQVSEJAO-UHFFFAOYSA-N 0 0 233.271 2.489 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000134965553 591966537 /nfs/dbraw/zinc/96/65/37/591966537.db2.gz YEQAEXSEIKONDD-LLVKDONJSA-N 0 0 236.290 2.339 10 0 BEAERN C[C@H](Sc1ccccn1)C(=O)OCC(F)F ZINC000135044735 591979529 /nfs/dbraw/zinc/97/95/29/591979529.db2.gz ZGXAPURIWKXMBG-ZETCQYMHSA-N 0 0 247.266 2.371 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cccn1C(C)C ZINC000135574486 592020400 /nfs/dbraw/zinc/02/04/00/592020400.db2.gz MQFCVCTZHLVGRJ-UHFFFAOYSA-N 0 0 232.287 2.353 10 0 BEAERN CCCc1cc(NC(=O)c2cccc(F)n2)n[nH]1 ZINC000135573285 592021124 /nfs/dbraw/zinc/02/11/24/592021124.db2.gz AKTCPHNUXOVSAM-UHFFFAOYSA-N 0 0 248.261 2.149 10 0 BEAERN CCCn1nccc1NC(=O)c1cccc(F)n1 ZINC000135827311 592060000 /nfs/dbraw/zinc/06/00/00/592060000.db2.gz NCHDDGMRNLGZTC-UHFFFAOYSA-N 0 0 248.261 2.080 10 0 BEAERN CCOC[C@H](C)NC(=S)Nc1ccccc1 ZINC000136226485 592102978 /nfs/dbraw/zinc/10/29/78/592102978.db2.gz OOZZLCHBJVKNLC-JTQLQIEISA-N 0 0 238.356 2.398 10 0 BEAERN Cc1nc([C@H](O)C(F)(F)F)sc1C ZINC000138959284 592323209 /nfs/dbraw/zinc/32/32/09/592323209.db2.gz CDKOMTHQLLYIMO-YFKPBYRVSA-N 0 0 211.208 2.356 10 0 BEAERN O=C(Nc1ccc(F)nc1F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300019646 592499917 /nfs/dbraw/zinc/49/99/17/592499917.db2.gz OTCUBEZZZMVAJK-RNLVFQAGSA-N 0 0 238.237 2.344 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cncc(Cl)n1 ZINC000300364902 592508839 /nfs/dbraw/zinc/50/88/39/592508839.db2.gz HZXXOCMTVJZNNI-SFYZADRCSA-N 0 0 239.706 2.048 10 0 BEAERN CCCc1c(N)n(C)nc1C(C)(F)F ZINC000300835924 592521563 /nfs/dbraw/zinc/52/15/63/592521563.db2.gz DGYUCRNBGFPNBB-UHFFFAOYSA-N 0 0 203.236 2.067 10 0 BEAERN CCCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000302663844 592551591 /nfs/dbraw/zinc/55/15/91/592551591.db2.gz JUSPZBAPBMEZOB-DGCLKSJQSA-N 0 0 241.331 2.160 10 0 BEAERN C/C=C/C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000105579409 592702781 /nfs/dbraw/zinc/70/27/81/592702781.db2.gz RKKBSRKEQNFFJK-GORDUTHDSA-N 0 0 244.294 2.093 10 0 BEAERN O=C(NC1CCC2(CC2)CC1)n1ccnc1 ZINC000829164879 592707196 /nfs/dbraw/zinc/70/71/96/592707196.db2.gz OUBIQMIDHWMIEE-UHFFFAOYSA-N 0 0 219.288 2.164 10 0 BEAERN Cn1ccc(CN[C@@H]2CCc3c2cccc3F)n1 ZINC000112344087 592708643 /nfs/dbraw/zinc/70/86/43/592708643.db2.gz WOJKHHWQNOIZOK-CQSZACIVSA-N 0 0 245.301 2.336 10 0 BEAERN C[C@@H](O)[C@H](C)[NH2+]Cc1sccc1Cl ZINC000336659683 635199886 /nfs/dbraw/zinc/19/98/86/635199886.db2.gz TYUISOZZOSWSMZ-NKWVEPMBSA-N 0 0 219.737 2.260 10 0 BEAERN C[C@@H](O)[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000336659684 635199834 /nfs/dbraw/zinc/19/98/34/635199834.db2.gz TYUISOZZOSWSMZ-RNFRBKRXSA-N 0 0 219.737 2.260 10 0 BEAERN OCCc1csc(Cc2cccc(F)c2)n1 ZINC000258211543 634599644 /nfs/dbraw/zinc/59/96/44/634599644.db2.gz UJYWYBKMQPSMQI-UHFFFAOYSA-N 0 0 237.299 2.408 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000336764719 635283990 /nfs/dbraw/zinc/28/39/90/635283990.db2.gz QEGBYLPOCLBBNE-WHFBIAKZSA-N 0 0 240.250 2.343 10 0 BEAERN CCc1ccc(CNC(=O)n2ccnc2)s1 ZINC000225397514 635407004 /nfs/dbraw/zinc/40/70/04/635407004.db2.gz MIVXEVGOKVAZFU-UHFFFAOYSA-N 0 0 235.312 2.265 10 0 BEAERN CCOc1ncnc(OCc2ccccc2)c1N ZINC000094732843 635489840 /nfs/dbraw/zinc/48/98/40/635489840.db2.gz JGWGPRSPCUQVIF-UHFFFAOYSA-N 0 0 245.282 2.037 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000234107471 635549044 /nfs/dbraw/zinc/54/90/44/635549044.db2.gz TVMKWUVKWZIZDM-NWDGAFQWSA-N 0 0 235.283 2.146 10 0 BEAERN CSCCOC(=O)[C@@H]1CCC[C@H]1C ZINC000308313505 631275078 /nfs/dbraw/zinc/27/50/78/631275078.db2.gz UMEKDBSXQASLCC-RKDXNWHRSA-N 0 0 202.319 2.329 10 0 BEAERN CS[C@H](C)C(=O)OC[C@@H]1CC1(C)C ZINC000308313960 631277189 /nfs/dbraw/zinc/27/71/89/631277189.db2.gz UWLPUXKYVGHVNB-SFYZADRCSA-N 0 0 202.319 2.327 10 0 BEAERN O=C([O-])[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc21 ZINC000086726883 631470710 /nfs/dbraw/zinc/47/07/10/631470710.db2.gz YTGIBINGTJYCBF-CHWSQXEVSA-N 0 0 231.295 2.223 10 0 BEAERN C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)[C@H]1CCOC1 ZINC000176191934 631574809 /nfs/dbraw/zinc/57/48/09/631574809.db2.gz DYLVOBRRDAVVQX-OHBODLIOSA-N 0 0 224.300 2.001 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1nnc(C(C)(C)C)s1 ZINC000309060065 631834918 /nfs/dbraw/zinc/83/49/18/631834918.db2.gz WADTUFAHWRWOOO-RNFRBKRXSA-N 0 0 229.349 2.017 10 0 BEAERN COc1ccc2cc(NN)c(C(F)F)nc2c1 ZINC000725268655 631864195 /nfs/dbraw/zinc/86/41/95/631864195.db2.gz XQXYRLITUSLIIP-UHFFFAOYSA-N 0 0 239.225 2.467 10 0 BEAERN C[C@@H](NC(=O)C(F)F)c1cc(F)ccc1F ZINC000235209718 632539988 /nfs/dbraw/zinc/53/99/88/632539988.db2.gz UEOKYZKQUCJCIK-RXMQYKEDSA-N 0 0 235.180 2.407 10 0 BEAERN COC(=O)c1ccc(N[C@@H](C)C(C)C)nc1 ZINC000309669918 632638925 /nfs/dbraw/zinc/63/89/25/632638925.db2.gz VQHABLQDPYGPEB-VIFPVBQESA-N 0 0 222.288 2.325 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1nc2c(cccc2F)o1 ZINC000309897299 632678903 /nfs/dbraw/zinc/67/89/03/632678903.db2.gz GJHSSPYCCNAVMU-RNFRBKRXSA-N 0 0 224.235 2.148 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)OC1CCCC1 ZINC000310289703 632716253 /nfs/dbraw/zinc/71/62/53/632716253.db2.gz YQXSXUWHZQEPBJ-JQWIXIFHSA-N 0 0 241.331 2.206 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Oc2c(F)cccc2F)O1 ZINC000153415967 632817759 /nfs/dbraw/zinc/81/77/59/632817759.db2.gz KHIYPJUGIUJXPS-XVKPBYJWSA-N 0 0 242.221 2.438 10 0 BEAERN Cc1nn(-c2ncccc2C=O)c(C)c1C ZINC000235945480 632854882 /nfs/dbraw/zinc/85/48/82/632854882.db2.gz VHJSDGYSCVCEFB-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN Cc1ncc(COC(=O)[C@H]2CC[C@H](C)O2)s1 ZINC000177707030 632866663 /nfs/dbraw/zinc/86/66/63/632866663.db2.gz UHRFELXPEHMAHA-OIBJUYFYSA-N 0 0 241.312 2.062 10 0 BEAERN CC(C)c1c(N)n(C)nc1C(F)(F)F ZINC000229832360 632994445 /nfs/dbraw/zinc/99/44/45/632994445.db2.gz YKCNQMMGDQTFJS-UHFFFAOYSA-N 0 0 207.199 2.145 10 0 BEAERN CO[C@H](C)C(=O)OC1CCCCCC1 ZINC000126629554 635881321 /nfs/dbraw/zinc/88/13/21/635881321.db2.gz BLNUCRNRRXYKLD-SECBINFHSA-N 0 0 200.278 2.287 10 0 BEAERN C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC000163016173 633044819 /nfs/dbraw/zinc/04/48/19/633044819.db2.gz UPIOHOSJESVVDJ-KOLCDFICSA-N 0 0 249.310 2.352 10 0 BEAERN CC(C)(C)CC(C)(C)C(=O)N1CCOCC1 ZINC000003623711 633064703 /nfs/dbraw/zinc/06/47/03/633064703.db2.gz ZBZVJMYFNIEABO-UHFFFAOYSA-N 0 0 227.348 2.308 10 0 BEAERN Cn1cnc(CN[C@H]2CCOc3ccccc32)c1 ZINC000311098015 633068241 /nfs/dbraw/zinc/06/82/41/633068241.db2.gz JNFYHAPIVBXPBJ-ZDUSSCGKSA-N 0 0 243.310 2.034 10 0 BEAERN COCCc1ccnc(N[C@@H]2CC[C@@H]2C)c1 ZINC000309624384 633214809 /nfs/dbraw/zinc/21/48/09/633214809.db2.gz GAIVQRHYIWLNLZ-CMPLNLGQSA-N 0 0 220.316 2.481 10 0 BEAERN COC1CC(Nc2ccncc2Cl)C1 ZINC000230599213 636048500 /nfs/dbraw/zinc/04/85/00/636048500.db2.gz SHCGTVLOVNWLCD-UHFFFAOYSA-N 0 0 212.680 2.324 10 0 BEAERN CC(C)(CCNC(=O)n1ccnc1)C1CC1 ZINC000328242248 633748625 /nfs/dbraw/zinc/74/86/25/633748625.db2.gz BSHXLDHALZLHEK-UHFFFAOYSA-N 0 0 221.304 2.267 10 0 BEAERN CC(C)(C)Cc1noc([C@@H](N)CC(F)F)n1 ZINC000309211883 633864363 /nfs/dbraw/zinc/86/43/63/633864363.db2.gz SPDLEALGTAKCIH-LURJTMIESA-N 0 0 233.262 2.313 10 0 BEAERN CC(C)(C#N)COC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000180163561 633880820 /nfs/dbraw/zinc/88/08/20/633880820.db2.gz DMAANDMXKWNAQW-VHSXEESVSA-N 0 0 207.273 2.125 10 0 BEAERN CCOC[C@H](C)OC(=O)c1scnc1CC ZINC000190770552 634194205 /nfs/dbraw/zinc/19/42/05/634194205.db2.gz RZNICDPOQZYUAA-QMMMGPOBSA-N 0 0 243.328 2.287 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H](C)CCCOC ZINC000190762717 634194306 /nfs/dbraw/zinc/19/43/06/634194306.db2.gz FIMRRWKUABKVAT-MNOVXSKESA-N 0 0 232.320 2.017 10 0 BEAERN CCCOCC(=O)Oc1cccc(C)c1 ZINC000123653189 634251325 /nfs/dbraw/zinc/25/13/25/634251325.db2.gz GUQLMAYRSUERAB-UHFFFAOYSA-N 0 0 208.257 2.327 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)[C@H](C#N)c1ccccn1 ZINC000249085736 635116479 /nfs/dbraw/zinc/11/64/79/635116479.db2.gz RIPGEHFUIMPSQE-SDDRHHMPSA-N 0 0 244.294 2.073 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1CCCO[C@H]1C)C(C)(C)C#N ZINC000248853837 635116861 /nfs/dbraw/zinc/11/68/61/635116861.db2.gz CZPANZWZNOYMMA-HBNTYKKESA-N 0 0 239.315 2.283 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1 ZINC000150831694 635221141 /nfs/dbraw/zinc/22/11/41/635221141.db2.gz YJDDTNURYGHKHP-BQBZGAKWSA-N 0 0 226.194 2.050 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2ccnc(F)c2)o1 ZINC000226616500 635437940 /nfs/dbraw/zinc/43/79/40/635437940.db2.gz PSDGYPOXOOUQNQ-MRVPVSSYSA-N 0 0 249.245 2.008 10 0 BEAERN CC(=O)CCCOC(=O)C[C@@H]1C=CCC1 ZINC000126417788 635818566 /nfs/dbraw/zinc/81/85/66/635818566.db2.gz IRECHJNUQZHPGA-LLVKDONJSA-N 0 0 210.273 2.255 10 0 BEAERN O=C(OC[C@@H]1CC=CCC1)c1cnsn1 ZINC000127683496 636767618 /nfs/dbraw/zinc/76/76/18/636767618.db2.gz JFCKRAREEFSFMZ-MRVPVSSYSA-N 0 0 224.285 2.051 10 0 BEAERN O=Cc1ccc(-c2ccc(CO)cc2)o1 ZINC000090727842 636919332 /nfs/dbraw/zinc/91/93/32/636919332.db2.gz ZAHYRMAOLBZFHJ-UHFFFAOYSA-N 0 0 202.209 2.251 10 0 BEAERN Cc1ccc(CN(C)C(=O)c2ccnc(F)c2)o1 ZINC000041039005 636954656 /nfs/dbraw/zinc/95/46/56/636954656.db2.gz BUJLWIRQRPBQRF-UHFFFAOYSA-N 0 0 248.257 2.394 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)[C@@H](C)O)c1Cl ZINC000346363057 637091063 /nfs/dbraw/zinc/09/10/63/637091063.db2.gz CKABRVWSZUIFLO-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1csc2ccccc12 ZINC000346476310 637152373 /nfs/dbraw/zinc/15/23/73/637152373.db2.gz SNUBLPQAFXNOKQ-IUCAKERBSA-N 0 0 249.335 2.400 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)O)c(C)c1 ZINC000346544487 637165190 /nfs/dbraw/zinc/16/51/90/637165190.db2.gz ZVWHDRPUQGUFMV-NEPJUHHUSA-N 0 0 235.327 2.111 10 0 BEAERN C[C@@H](CC1CC1)[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128697234 637254654 /nfs/dbraw/zinc/25/46/54/637254654.db2.gz XJJLEQIOTJUGQE-QMMMGPOBSA-N 0 0 223.272 2.256 10 0 BEAERN CC(C)C[C@H](N)c1nc(CC2CCC2)no1 ZINC000304552687 711454276 /nfs/dbraw/zinc/45/42/76/711454276.db2.gz FTCMOAPRTWCELK-JTQLQIEISA-N 0 0 223.320 2.458 10 0 BEAERN Cc1noc(COc2cccc([C@@H](C)O)c2)n1 ZINC000035627707 639764963 /nfs/dbraw/zinc/76/49/63/639764963.db2.gz UHDNMBYYHVVEGL-MRVPVSSYSA-N 0 0 234.255 2.010 10 0 BEAERN C[C@@H](OC(=O)C1(C)CC1)C1CCOCC1 ZINC000156013832 639983849 /nfs/dbraw/zinc/98/38/49/639983849.db2.gz NJLYTFJHNCWMQM-SECBINFHSA-N 0 0 212.289 2.145 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCC(F)(F)F)O1 ZINC000150831626 640157213 /nfs/dbraw/zinc/15/72/13/640157213.db2.gz YJDDTNURYGHKHP-RNFRBKRXSA-N 0 0 226.194 2.050 10 0 BEAERN CC[C@H](C)COC(=O)[C@H]1CC[C@H](C)O1 ZINC000150826571 640158197 /nfs/dbraw/zinc/15/81/97/640158197.db2.gz VNBBRQKMSZYCQS-LPEHRKFASA-N 0 0 200.278 2.143 10 0 BEAERN CCc1nc(-c2ccc(Cl)cc2N)n(C)n1 ZINC000054696989 640306739 /nfs/dbraw/zinc/30/67/39/640306739.db2.gz PFFVJFQKHPAVRL-UHFFFAOYSA-N 0 0 236.706 2.280 10 0 BEAERN CO[C@H](C)COc1cccc([C@@H](C)O)c1 ZINC000164040880 640434433 /nfs/dbraw/zinc/43/44/33/640434433.db2.gz UECOXHUZYDZRIO-NXEZZACHSA-N 0 0 210.273 2.154 10 0 BEAERN c1cnc2c(c1)cncc2NC[C@@H]1CCCO1 ZINC000223137994 640538735 /nfs/dbraw/zinc/53/87/35/640538735.db2.gz WCVTZHSOFQYVSF-NSHDSACASA-N 0 0 229.283 2.221 10 0 BEAERN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000187658130 640613841 /nfs/dbraw/zinc/61/38/41/640613841.db2.gz CEOLUNVMEKVATR-USZNOCQGSA-N 0 0 226.316 2.247 10 0 BEAERN CC(C)(C)OC(=O)/C=C/c1ccncc1 ZINC000036448703 640639689 /nfs/dbraw/zinc/63/96/89/640639689.db2.gz YTBPAPQPPDTSIM-SNAWJCMRSA-N 0 0 205.257 2.437 10 0 BEAERN Cc1nc(-c2ccc(Cl)cc2N)n(C)n1 ZINC000054499309 640706200 /nfs/dbraw/zinc/70/62/00/640706200.db2.gz PYSUTPMABQYYQZ-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN Cc1nc(-c2cc(Cl)ccc2N)n(C)n1 ZINC000054499307 640706683 /nfs/dbraw/zinc/70/66/83/640706683.db2.gz ZTVOKSVMWHYGEY-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN CCCc1noc([C@H]2C[C@H](C)CCN2)n1 ZINC000167529525 640725595 /nfs/dbraw/zinc/72/55/95/640725595.db2.gz WZGNZMYIPPDURS-RKDXNWHRSA-N 0 0 209.293 2.083 10 0 BEAERN CONC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000058835218 640747491 /nfs/dbraw/zinc/74/74/91/640747491.db2.gz KJQKQMBJMZVBBW-RNFRBKRXSA-N 0 0 225.210 2.033 10 0 BEAERN Cc1cnc([C@H](C)Nc2ncnc3c2CCC3)o1 ZINC000226547398 640774618 /nfs/dbraw/zinc/77/46/18/640774618.db2.gz NOFBXNWRSVTIRG-VIFPVBQESA-N 0 0 244.298 2.435 10 0 BEAERN Cc1ccc(OS(=O)(=O)c2ccccc2)cn1 ZINC000038999213 640776813 /nfs/dbraw/zinc/77/68/13/640776813.db2.gz MBBOKDVSUQIHFA-UHFFFAOYSA-N 0 0 249.291 2.158 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)C(F)(F)C(F)F ZINC000226698443 640789534 /nfs/dbraw/zinc/78/95/34/640789534.db2.gz SXSVZQFSEBEGEF-WDSKDSINSA-N 0 0 227.201 2.192 10 0 BEAERN C=CCCC[C@@H](NC(=O)CC(C)C)C(=O)OC ZINC000059590852 640817884 /nfs/dbraw/zinc/81/78/84/640817884.db2.gz NVXWWSAIORUTHM-LLVKDONJSA-N 0 0 241.331 2.047 10 0 BEAERN CC[C@H](SC)C(=O)O[C@H](C)C1CCOCC1 ZINC000158272357 640826208 /nfs/dbraw/zinc/82/62/08/640826208.db2.gz POLDTHUQLGOOMC-KOLCDFICSA-N 0 0 246.372 2.486 10 0 BEAERN CO[C@H](c1noc(-c2ccc(N)cc2)n1)C1CC1 ZINC000227333933 640827746 /nfs/dbraw/zinc/82/77/46/640827746.db2.gz JZZKNUKHMJTDDM-NSHDSACASA-N 0 0 245.282 2.416 10 0 BEAERN O=C1OCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000061162945 640930530 /nfs/dbraw/zinc/93/05/30/640930530.db2.gz GTXWLNIXMMASIN-VIFPVBQESA-N 0 0 230.235 2.372 10 0 BEAERN CC(=O)CCCOC(=O)c1c[nH]nc1C(C)C ZINC000061239801 640942585 /nfs/dbraw/zinc/94/25/85/640942585.db2.gz VLVIYKHDOUFGHD-UHFFFAOYSA-N 0 0 238.287 2.059 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Oc1cc(C)ccc1C ZINC000171175199 640961125 /nfs/dbraw/zinc/96/11/25/640961125.db2.gz HOKBBQMBJIJFRP-QWRGUYRKSA-N 0 0 248.278 2.018 10 0 BEAERN COC(=O)[C@H]1C[C@H]1C(=O)OC1CCCCCC1 ZINC000171174897 640961155 /nfs/dbraw/zinc/96/11/55/640961155.db2.gz QUGZJDJDXXWGHI-WDEREUQCSA-N 0 0 240.299 2.062 10 0 BEAERN COC(=O)[C@H]1C[C@H]1C(=O)Oc1cc(C)ccc1C ZINC000171175194 640961166 /nfs/dbraw/zinc/96/11/66/640961166.db2.gz HOKBBQMBJIJFRP-WDEREUQCSA-N 0 0 248.278 2.018 10 0 BEAERN CCC[C@@H](N)c1nc([C@@H]2CCCS2)no1 ZINC000087700000 640976626 /nfs/dbraw/zinc/97/66/26/640976626.db2.gz ALODQTHEEJEGGQ-SFYZADRCSA-N 0 0 227.333 2.438 10 0 BEAERN COC[C@H](C)C(=O)OCCOC1CCCCC1 ZINC000171487665 640980110 /nfs/dbraw/zinc/98/01/10/640980110.db2.gz VRMWIXFMSQKMIK-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN COC[C@@H](C)C(=O)OCCC1CCCC1 ZINC000171501063 640986503 /nfs/dbraw/zinc/98/65/03/640986503.db2.gz DTTLJLGMTRXUKB-SNVBAGLBSA-N 0 0 214.305 2.392 10 0 BEAERN Cc1nn(-c2ccc(C=O)cn2)cc1Cl ZINC000087718060 640990432 /nfs/dbraw/zinc/99/04/32/640990432.db2.gz LEFLUBFIUIHRDD-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cn1nc(-c2sccc2Cl)cc1N ZINC000087721305 640991889 /nfs/dbraw/zinc/99/18/89/640991889.db2.gz DSYFBINXWHLXPN-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN COc1ccc(C[C@@H](O)C2CC2)cc1OC ZINC000062137710 641024004 /nfs/dbraw/zinc/02/40/04/641024004.db2.gz NGKACECILQFQGD-LLVKDONJSA-N 0 0 222.284 2.017 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCCCCCCO ZINC000230176570 641035132 /nfs/dbraw/zinc/03/51/32/641035132.db2.gz MBJJMLMMYZIJGL-RYUDHWBXSA-N 0 0 227.348 2.092 10 0 BEAERN CCn1ncnc1-c1cc(N)cc(C)c1C ZINC000062349507 641040569 /nfs/dbraw/zinc/04/05/69/641040569.db2.gz JDJSHHFMBIXJBJ-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CC(C)C[C@@H](N)c1nc([C@H]2CCCOC2)no1 ZINC000087813549 641052439 /nfs/dbraw/zinc/05/24/39/641052439.db2.gz UPINYCRPTABHKI-VHSXEESVSA-N 0 0 239.319 2.010 10 0 BEAERN O=C(C1CCC1)N1CC[C@@H](O)c2ccccc21 ZINC000062552654 641058177 /nfs/dbraw/zinc/05/81/77/641058177.db2.gz CLPQGIAORZRVAL-CYBMUJFWSA-N 0 0 231.295 2.257 10 0 BEAERN COC1CC(Nc2cc(Cl)nc(C)n2)C1 ZINC000230592809 641070082 /nfs/dbraw/zinc/07/00/82/641070082.db2.gz RQWDBXGIEYOBQH-UHFFFAOYSA-N 0 0 227.695 2.028 10 0 BEAERN COC1CC(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000230629454 641073189 /nfs/dbraw/zinc/07/31/89/641073189.db2.gz LZOGSATYZYLPSR-UHFFFAOYSA-N 0 0 244.294 2.075 10 0 BEAERN CCC[C@@H](C)C[N@@H+](CC(=O)[O-])CC(C)C ZINC000062742733 641084604 /nfs/dbraw/zinc/08/46/04/641084604.db2.gz NSYWTSHNVVYDMF-LLVKDONJSA-N 0 0 215.337 2.465 10 0 BEAERN C[C@H](O)c1cccc(OCCc2ccnn2C)c1 ZINC000230765426 641090783 /nfs/dbraw/zinc/09/07/83/641090783.db2.gz PRQBGFVZPQWHRL-NSHDSACASA-N 0 0 246.310 2.095 10 0 BEAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cccnc2)C1 ZINC000062877586 641105400 /nfs/dbraw/zinc/10/54/00/641105400.db2.gz JHDISZRPFAQXBO-CQSZACIVSA-N 0 0 248.326 2.158 10 0 BEAERN CC(=O)COC(=O)CSc1ccccc1C ZINC000058084179 641151935 /nfs/dbraw/zinc/15/19/35/641151935.db2.gz POKHDXNVBSLXMQ-UHFFFAOYSA-N 0 0 238.308 2.219 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccnc(C(=O)N(C)C)c1 ZINC000231663179 641191059 /nfs/dbraw/zinc/19/10/59/641191059.db2.gz YXIQDBUXAWCYAN-JQWIXIFHSA-N 0 0 247.342 2.384 10 0 BEAERN CCCNC(=S)N[C@@H]1C[C@@H]1CCC ZINC000231648043 641192140 /nfs/dbraw/zinc/19/21/40/641192140.db2.gz LGYLMNPCEJXIJW-DTWKUNHWSA-N 0 0 200.351 2.049 10 0 BEAERN CCCCNC(=S)N[C@H]1C[C@H]1CCC ZINC000231647980 641193012 /nfs/dbraw/zinc/19/30/12/641193012.db2.gz DLMIOPMJAFLWFW-ZJUUUORDSA-N 0 0 214.378 2.439 10 0 BEAERN CCCC(=O)N1CC[C@H](O)c2ccccc21 ZINC000062552451 641199052 /nfs/dbraw/zinc/19/90/52/641199052.db2.gz MSUNIJOGSNBTDS-LBPRGKRZSA-N 0 0 219.284 2.257 10 0 BEAERN COCCOC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000174019448 641227135 /nfs/dbraw/zinc/22/71/35/641227135.db2.gz DRMLLGYMZYBFHO-NWDGAFQWSA-N 0 0 226.316 2.392 10 0 BEAERN CCC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000174129355 641252533 /nfs/dbraw/zinc/25/25/33/641252533.db2.gz ZTUJXWSUFIQRNB-VIFPVBQESA-N 0 0 236.267 2.472 10 0 BEAERN C[C@@H](OC(=O)C1=COCCC1)C1CCOCC1 ZINC000151543386 641370709 /nfs/dbraw/zinc/37/07/09/641370709.db2.gz SSXPTPLCURWGIQ-SNVBAGLBSA-N 0 0 240.299 2.039 10 0 BEAERN C[C@@H](OC(=O)C1CCC1)C1CCOCC1 ZINC000151577473 641422429 /nfs/dbraw/zinc/42/24/29/641422429.db2.gz KKKSXZBRGZHDML-SECBINFHSA-N 0 0 212.289 2.145 10 0 BEAERN CCCCOCC(=O)O[C@@H](C)C1CCOCC1 ZINC000151578363 641422919 /nfs/dbraw/zinc/42/29/19/641422919.db2.gz ILAQYISCGJIIOE-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN CC(C)[C@@H](C)NC(=O)COC1CCCCC1 ZINC000044284131 641593421 /nfs/dbraw/zinc/59/34/21/641593421.db2.gz GXOKMRCDVSKLRW-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN CSC[C@H](C)C(=O)O[C@H](C)C1CCOCC1 ZINC000156068065 641593643 /nfs/dbraw/zinc/59/36/43/641593643.db2.gz FZCSUUDAKUFPNT-VHSXEESVSA-N 0 0 246.372 2.344 10 0 BEAERN C[C@@H](CCc1ccccc1)NC(=O)n1ccnc1 ZINC000044482925 641603101 /nfs/dbraw/zinc/60/31/01/641603101.db2.gz KHWVZEDMTQSWSJ-LBPRGKRZSA-N 0 0 243.310 2.462 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCCC(F)(F)F)O1 ZINC000157630236 641620278 /nfs/dbraw/zinc/62/02/78/641620278.db2.gz KUUYPJFNTLJGLT-SFYZADRCSA-N 0 0 240.221 2.440 10 0 BEAERN CC(=O)c1cccc([C@H]2CCC[C@H](C(=O)[O-])[NH2+]2)c1 ZINC000075808726 641769575 /nfs/dbraw/zinc/76/95/75/641769575.db2.gz RCCHIUHCWPYMNY-CHWSQXEVSA-N 0 0 247.294 2.157 10 0 BEAERN Nc1cc(-c2c(F)cc(F)cc2F)[nH]n1 ZINC000075879867 641778657 /nfs/dbraw/zinc/77/86/57/641778657.db2.gz IIGXRRGOWYIUAA-UHFFFAOYSA-N 0 0 213.162 2.076 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)c1ccnnc1 ZINC000153441035 641794166 /nfs/dbraw/zinc/79/41/66/641794166.db2.gz HDSLCDWGDCEGKD-NSHDSACASA-N 0 0 241.294 2.276 10 0 BEAERN CCOC[C@H](C)OC(=O)Cc1cccs1 ZINC000190749515 641883878 /nfs/dbraw/zinc/88/38/78/641883878.db2.gz RVAXARHAQJZCMN-VIFPVBQESA-N 0 0 228.313 2.259 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000190769742 641885402 /nfs/dbraw/zinc/88/54/02/641885402.db2.gz NRVWPWNKLRCFNW-QJPTWQEYSA-N 0 0 244.331 2.160 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H](C)OCCC(C)C ZINC000190766064 641885552 /nfs/dbraw/zinc/88/55/52/641885552.db2.gz PKGDVVVBGWMHMJ-RYUDHWBXSA-N 0 0 246.347 2.406 10 0 BEAERN CCOC[C@H](C)OC(=O)/C=C/c1cccnc1 ZINC000190788956 641886552 /nfs/dbraw/zinc/88/65/52/641886552.db2.gz NXNCWSVBLVEALB-MLRMMBSGSA-N 0 0 235.283 2.063 10 0 BEAERN C[C@@H](N(C)C(=O)n1ccnc1)C(C)(C)C ZINC000032779626 641918382 /nfs/dbraw/zinc/91/83/82/641918382.db2.gz YFYGWTNXCYAGBJ-SECBINFHSA-N 0 0 209.293 2.218 10 0 BEAERN CN(Cc1cccc(F)c1)C(=O)n1ccnc1 ZINC000032859694 641939485 /nfs/dbraw/zinc/93/94/85/641939485.db2.gz QEWGXNBGVWENLF-UHFFFAOYSA-N 0 0 233.246 2.122 10 0 BEAERN CCCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192106847 641963321 /nfs/dbraw/zinc/96/33/21/641963321.db2.gz BLMXNORGNJECHK-ZJUUUORDSA-N 0 0 200.278 2.145 10 0 BEAERN CCCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192106853 641963462 /nfs/dbraw/zinc/96/34/62/641963462.db2.gz BLMXNORGNJECHK-VHSXEESVSA-N 0 0 200.278 2.145 10 0 BEAERN C[C@@H](CO)SCCSC(F)(F)F ZINC000123609204 641967145 /nfs/dbraw/zinc/96/71/45/641967145.db2.gz PKZRUVMJWYIBBL-YFKPBYRVSA-N 0 0 220.281 2.353 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)O[C@@H](C#N)C(C)(C)C)O1 ZINC000154246593 641989814 /nfs/dbraw/zinc/98/98/14/641989814.db2.gz FAELYEGDUJKNGE-UTLUCORTSA-N 0 0 225.288 2.035 10 0 BEAERN CC1(C)C[C@H]1c1noc(-c2ccc(N)nc2)n1 ZINC000232869432 642006355 /nfs/dbraw/zinc/00/63/55/642006355.db2.gz JFWGTYHFOSSMQW-QMMMGPOBSA-N 0 0 230.271 2.227 10 0 BEAERN Nc1ccc(F)c(-c2cncnc2)c1F ZINC000034152950 642056681 /nfs/dbraw/zinc/05/66/81/642056681.db2.gz DECPHHAFXBUSIK-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN CC(C)[C@H](C)NC(=O)C[C@@H]1CSCCS1 ZINC000154446669 642090077 /nfs/dbraw/zinc/09/00/77/642090077.db2.gz UUBLJEHBOXMKPW-VHSXEESVSA-N 0 0 247.429 2.386 10 0 BEAERN Cc1noc([C@H](C)OC(=O)C[C@@H]2C=CCC2)n1 ZINC000126417352 642359846 /nfs/dbraw/zinc/35/98/46/642359846.db2.gz MADSVNBWSSDAPL-WCBMZHEXSA-N 0 0 236.271 2.339 10 0 BEAERN CSCCCC(=O)OC[C@@H]1C[C@@H]1C ZINC000308166777 642476081 /nfs/dbraw/zinc/47/60/81/642476081.db2.gz AAABCNJYSZOXPL-IUCAKERBSA-N 0 0 202.319 2.329 10 0 BEAERN Nc1nn(CCCCCF)cc1Cl ZINC000379346418 642507110 /nfs/dbraw/zinc/50/71/10/642507110.db2.gz FQYJEGDMVDCQAJ-UHFFFAOYSA-N 0 0 205.664 2.089 10 0 BEAERN CCCCOC(=O)[C@H]1CCO[C@H]1CC ZINC000232971668 642636906 /nfs/dbraw/zinc/63/69/06/642636906.db2.gz KQZOGKMCQXJSOB-UWVGGRQHSA-N 0 0 200.278 2.145 10 0 BEAERN CCCCOc1ncc(N)cc1Cl ZINC000233003474 642644751 /nfs/dbraw/zinc/64/47/51/642644751.db2.gz GKRVBVREBOGXIH-UHFFFAOYSA-N 0 0 200.669 2.496 10 0 BEAERN CCC(CC)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175277824 642666915 /nfs/dbraw/zinc/66/69/15/642666915.db2.gz LBAPZDZNKGXMHL-KOLCDFICSA-N 0 0 214.305 2.391 10 0 BEAERN CCCSCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175225736 642661763 /nfs/dbraw/zinc/66/17/63/642661763.db2.gz ACEZXUFAEGQQBI-NXEZZACHSA-N 0 0 232.345 2.098 10 0 BEAERN Cc1cc(C)c(C(=O)O[C@H](C)[C@H]2CCOC2)o1 ZINC000175268631 642668092 /nfs/dbraw/zinc/66/80/92/642668092.db2.gz QMKOLARMXRKTMA-MNOVXSKESA-N 0 0 238.283 2.478 10 0 BEAERN CCC(CC)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175277788 642668241 /nfs/dbraw/zinc/66/82/41/642668241.db2.gz LBAPZDZNKGXMHL-MWLCHTKSSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1ccoc1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175288642 642669615 /nfs/dbraw/zinc/66/96/15/642669615.db2.gz UOCBXAUKRSSEHC-VHSXEESVSA-N 0 0 224.256 2.170 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(NC)ncn1 ZINC000233438015 642672406 /nfs/dbraw/zinc/67/24/06/642672406.db2.gz NUXQBZQNDXVBMX-IUCAKERBSA-N 0 0 206.293 2.119 10 0 BEAERN COC[C@@H](C)C(=O)OCc1sccc1C ZINC000180202600 642777977 /nfs/dbraw/zinc/77/79/77/642777977.db2.gz HFHKHIWGRZZXEC-SECBINFHSA-N 0 0 228.313 2.382 10 0 BEAERN CC(C)(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1 ZINC000069272596 642844494 /nfs/dbraw/zinc/84/44/94/642844494.db2.gz AZPUDOGXSXHPQA-STQMWFEESA-N 0 0 247.338 2.372 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1ccc2ccccc2c1 ZINC000069272051 642844734 /nfs/dbraw/zinc/84/47/34/642844734.db2.gz FXFJYUXPFQIPNN-ZIAGYGMSSA-N 0 0 241.290 2.227 10 0 BEAERN CC(C)OCCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000181575574 642883756 /nfs/dbraw/zinc/88/37/56/642883756.db2.gz IJFXCGHGWXNBRO-NEPJUHHUSA-N 0 0 244.331 2.160 10 0 BEAERN COC[C@H](C)C(=O)Oc1cccc(C)c1F ZINC000181948667 642931272 /nfs/dbraw/zinc/93/12/72/642931272.db2.gz OLRKLWHTDZILSD-VIFPVBQESA-N 0 0 226.247 2.322 10 0 BEAERN COC(=O)COC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000182050775 642947569 /nfs/dbraw/zinc/94/75/69/642947569.db2.gz BLKAMNSJCKKBIL-ZJUUUORDSA-N 0 0 242.315 2.165 10 0 BEAERN COC(=O)/C=C1/CCCNc2ccccc21 ZINC000163066438 643014416 /nfs/dbraw/zinc/01/44/16/643014416.db2.gz XCQAYDAAKLLTRH-KTKRTIGZSA-N 0 0 217.268 2.449 10 0 BEAERN CC(C)[C@H](C)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175258063 643071085 /nfs/dbraw/zinc/07/10/85/643071085.db2.gz QLJQFYFQMMKUSA-GARJFASQSA-N 0 0 214.305 2.247 10 0 BEAERN CCC(CC)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175277767 643087109 /nfs/dbraw/zinc/08/71/09/643087109.db2.gz LBAPZDZNKGXMHL-GXSJLCMTSA-N 0 0 214.305 2.391 10 0 BEAERN COC[C@@H](C)C(=O)OCCCCCSC ZINC000184511310 643214520 /nfs/dbraw/zinc/21/45/20/643214520.db2.gz YJZPGPJQGAKUPF-SNVBAGLBSA-N 0 0 234.361 2.345 10 0 BEAERN COC(=O)c1cccc(N[C@@H](C)C2CC2)n1 ZINC000092828065 643272224 /nfs/dbraw/zinc/27/22/24/643272224.db2.gz NYEOFVXOSKVSKC-QMMMGPOBSA-N 0 0 220.272 2.079 10 0 BEAERN Cc1nnc(SC(F)F)n1C1CC1 ZINC000757136048 643280190 /nfs/dbraw/zinc/28/01/90/643280190.db2.gz LFMRRANRZJEEQW-UHFFFAOYSA-N 0 0 205.233 2.236 10 0 BEAERN C#CCCCCCOC(=O)[C@@H]1CC[C@H](C)O1 ZINC000185332849 643294898 /nfs/dbraw/zinc/29/48/98/643294898.db2.gz UOCSPHAPSXKKLL-RYUDHWBXSA-N 0 0 224.300 2.291 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@H]1CC[C@H](C)O1 ZINC000185359721 643299813 /nfs/dbraw/zinc/29/98/13/643299813.db2.gz CKCMWXRRRLLYLD-WDEREUQCSA-N 0 0 224.300 2.147 10 0 BEAERN CCc1ccc(CSCCCO)o1 ZINC000757171206 643353814 /nfs/dbraw/zinc/35/38/14/643353814.db2.gz SXELETXUGWODKY-UHFFFAOYSA-N 0 0 200.303 2.458 10 0 BEAERN CC(C)c1cc(N)n(-c2ccc(O)cc2)n1 ZINC000757171088 643353897 /nfs/dbraw/zinc/35/38/97/643353897.db2.gz PQTVLFUKTGNQIJ-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN CCOC(=O)[C@@]1(F)CCC[C@H](CC)C1=O ZINC000757183930 643359899 /nfs/dbraw/zinc/35/98/99/643359899.db2.gz TYVCELXBPJSRLJ-GZMMTYOYSA-N 0 0 216.252 2.037 10 0 BEAERN COC[C@@H](C)COC(=O)Cc1cccc(F)c1 ZINC000185710989 643367374 /nfs/dbraw/zinc/36/73/74/643367374.db2.gz TZZUESXPFAKVLY-SNVBAGLBSA-N 0 0 240.274 2.194 10 0 BEAERN O=C1C[C@@H](c2ccccc2Br)N1 ZINC000082762528 643375353 /nfs/dbraw/zinc/37/53/53/643375353.db2.gz PWPWUIFCGZBFFG-QMMMGPOBSA-N 0 0 226.073 2.010 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)C1CC1 ZINC000235525842 643403207 /nfs/dbraw/zinc/40/32/07/643403207.db2.gz DGSNUMKBEABLLN-ZETCQYMHSA-N 0 0 223.272 2.174 10 0 BEAERN CC/C=C\CCOC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000255120268 643453843 /nfs/dbraw/zinc/45/38/43/643453843.db2.gz CQSPSLSKVKLPJD-KWKBKKAHSA-N 0 0 212.289 2.453 10 0 BEAERN CC/C=C\CCOC(=O)[C@@H]1CC[C@H](C)O1 ZINC000255120269 643454832 /nfs/dbraw/zinc/45/48/32/643454832.db2.gz CQSPSLSKVKLPJD-XXJOZFEBSA-N 0 0 212.289 2.453 10 0 BEAERN CC(C)[C@@H](C)NC(=S)NC1(C)CC1 ZINC000307526620 643497044 /nfs/dbraw/zinc/49/70/44/643497044.db2.gz ROXKYTCJMKBNLR-MRVPVSSYSA-N 0 0 200.351 2.048 10 0 BEAERN Cc1ccsc1[C@H]1CCNc2ncnn21 ZINC000235816723 643502733 /nfs/dbraw/zinc/50/27/33/643502733.db2.gz NNLQPFAAWGTBCH-MRVPVSSYSA-N 0 0 220.301 2.053 10 0 BEAERN CC(C)[C@@H](C)NC(=O)C(F)(F)C(F)F ZINC000175859559 643506294 /nfs/dbraw/zinc/50/62/94/643506294.db2.gz YGJDAIQEIKYSMW-RXMQYKEDSA-N 0 0 215.190 2.048 10 0 BEAERN CC(C)[C@H](C)NC(=O)C(F)(F)C(F)F ZINC000175859578 643506644 /nfs/dbraw/zinc/50/66/44/643506644.db2.gz YGJDAIQEIKYSMW-YFKPBYRVSA-N 0 0 215.190 2.048 10 0 BEAERN CC(C)OC(=O)N[C@@H]1CCS[C@H]1C ZINC000307617417 643538800 /nfs/dbraw/zinc/53/88/00/643538800.db2.gz RKGCNXQFVKFAPC-JGVFFNPUSA-N 0 0 203.307 2.015 10 0 BEAERN C[C@H]1[C@H](O)CCCN1c1nc(Cl)cs1 ZINC000307618874 643538721 /nfs/dbraw/zinc/53/87/21/643538721.db2.gz VBGNHGOEAGNCPH-NKWVEPMBSA-N 0 0 232.736 2.146 10 0 BEAERN Cc1nn2c(c1C)NCC[C@H]2c1nccs1 ZINC000236005622 643568253 /nfs/dbraw/zinc/56/82/53/643568253.db2.gz DQJCYLKHCOVDJP-VIFPVBQESA-N 0 0 234.328 2.361 10 0 BEAERN CCOC(=O)c1cc(NC(C)C)c(F)cc1N ZINC000050018466 643577773 /nfs/dbraw/zinc/57/77/73/643577773.db2.gz SDAMGHRPPIWWGV-UHFFFAOYSA-N 0 0 240.278 2.405 10 0 BEAERN CC(C)[C@H](C)NC(=S)NC1CCC1 ZINC000307699945 643583093 /nfs/dbraw/zinc/58/30/93/643583093.db2.gz PNRWMWOGWIVXAS-QMMMGPOBSA-N 0 0 200.351 2.048 10 0 BEAERN Oc1ccccc1/C=N\Cc1cscn1 ZINC000050234194 643655089 /nfs/dbraw/zinc/65/50/89/643655089.db2.gz VTXREBJWGYAHFC-XGICHPGQSA-N 0 0 218.281 2.468 10 0 BEAERN Cc1c(N)n(C)nc1C1C(C)(C)C1(C)C ZINC000085709891 643789799 /nfs/dbraw/zinc/78/97/99/643789799.db2.gz FMVJDQKSDCYDSO-UHFFFAOYSA-N 0 0 207.321 2.460 10 0 BEAERN COC(=O)C1(c2ccc(Cl)cc2)CC(=O)C1 ZINC000091692203 643807160 /nfs/dbraw/zinc/80/71/60/643807160.db2.gz YXDCPTRTKPAJIA-UHFFFAOYSA-N 0 0 238.670 2.114 10 0 BEAERN CCCN1C(=S)N=NC1c1cscn1 ZINC000228201606 644058715 /nfs/dbraw/zinc/05/87/15/644058715.db2.gz LDRDBGVGMKYOJU-UHFFFAOYSA-N 0 0 226.330 2.100 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCC1(CC#N)CC1 ZINC000192239384 644139410 /nfs/dbraw/zinc/13/94/10/644139410.db2.gz GBPYCOTVXFAVGT-QWRGUYRKSA-N 0 0 237.299 2.039 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OC1(C)CCC1 ZINC000192245533 644140726 /nfs/dbraw/zinc/14/07/26/644140726.db2.gz QVWSDSXSTBNEJM-VHSXEESVSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192249693 644140900 /nfs/dbraw/zinc/14/09/00/644140900.db2.gz XRCPCJIPUIISHQ-HBNTYKKESA-N 0 0 214.305 2.389 10 0 BEAERN C[C@H](OC(=O)c1cccc(F)c1)[C@H]1CCOC1 ZINC000079176692 644158941 /nfs/dbraw/zinc/15/89/41/644158941.db2.gz AKDWXSBRVDLDJD-ONGXEEELSA-N 0 0 238.258 2.408 10 0 BEAERN Cc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)o1 ZINC000079186712 644160701 /nfs/dbraw/zinc/16/07/01/644160701.db2.gz BYTUKHJVGWJWQL-NXEZZACHSA-N 0 0 224.256 2.170 10 0 BEAERN CCC[C@@H](N)c1nc(-c2ccc(C)o2)no1 ZINC000074047170 644165998 /nfs/dbraw/zinc/16/59/98/644165998.db2.gz FPAAOWLWOZGLCT-MRVPVSSYSA-N 0 0 221.260 2.438 10 0 BEAERN O=C([O-])[C@H]1CCC[C@@H](c2ccsc2)[NH2+]1 ZINC000074148768 644272120 /nfs/dbraw/zinc/27/21/20/644272120.db2.gz JTRDXEBZXWJYCG-DTWKUNHWSA-N 0 0 211.286 2.016 10 0 BEAERN Cc1cc(C)n(-c2csc(C=O)c2)n1 ZINC000074185407 644308801 /nfs/dbraw/zinc/30/88/01/644308801.db2.gz LMTQIJQCTMASKT-UHFFFAOYSA-N 0 0 206.270 2.363 10 0 BEAERN Cc1cc(C)n(-c2ccc(C=O)s2)n1 ZINC000074185405 644309684 /nfs/dbraw/zinc/30/96/84/644309684.db2.gz PJWLJTFDYUKYDK-UHFFFAOYSA-N 0 0 206.270 2.363 10 0 BEAERN CO[C@H](C)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000195435200 644390017 /nfs/dbraw/zinc/39/00/17/644390017.db2.gz LZVNMEKQTOEHQQ-NXEZZACHSA-N 0 0 225.288 2.190 10 0 BEAERN COCCCNc1ccc2c(c1)CCN2C ZINC000082711179 644396023 /nfs/dbraw/zinc/39/60/23/644396023.db2.gz KNKDJCBNVDENPX-UHFFFAOYSA-N 0 0 220.316 2.127 10 0 BEAERN Cc1c(-c2cccc(C=O)c2)cnn1C ZINC000085112275 644435658 /nfs/dbraw/zinc/43/56/58/644435658.db2.gz XHYWCQZSDPIREL-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN Cc1c(-c2ccccc2C=O)cnn1C ZINC000085112278 644436065 /nfs/dbraw/zinc/43/60/65/644436065.db2.gz PKBQWIGJOYQXJO-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1ccccc1 ZINC000245392042 644522118 /nfs/dbraw/zinc/52/21/18/644522118.db2.gz ADIGMJRFWMDTSW-MVWJERBFSA-N 0 0 248.278 2.100 10 0 BEAERN CCOC(=O)c1cnc(CC(C)C)nc1C ZINC000230386825 644525607 /nfs/dbraw/zinc/52/56/07/644525607.db2.gz MTTHHWTUFYFZFY-UHFFFAOYSA-N 0 0 222.288 2.160 10 0 BEAERN CO[C@H](C)CCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000246096499 644562277 /nfs/dbraw/zinc/56/22/77/644562277.db2.gz HRLPPKSFHKUFEW-MIMYLULJSA-N 0 0 212.289 2.001 10 0 BEAERN CCn1nc(C)c(N)c1OCc1ccccc1 ZINC000091557815 644629497 /nfs/dbraw/zinc/62/94/97/644629497.db2.gz PUCWHUUAYOKICZ-UHFFFAOYSA-N 0 0 231.299 2.373 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C(F)(F)F ZINC000248124776 644664979 /nfs/dbraw/zinc/66/49/79/644664979.db2.gz FUASRCSMCNLASQ-QYNIQEEDSA-N 0 0 226.194 2.048 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1CCCO[C@H]1C)C(F)(F)F ZINC000248859590 644702538 /nfs/dbraw/zinc/70/25/38/644702538.db2.gz GAJMDWAZNZNWBJ-XLPZGREQSA-N 0 0 240.221 2.296 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)[C@H]1C[C@H]1C ZINC000103708339 644860312 /nfs/dbraw/zinc/86/03/12/644860312.db2.gz LMTHSRWUMHKUFC-ZJUUUORDSA-N 0 0 248.278 2.343 10 0 BEAERN CC(C)(Br)COC(=O)c1cnoc1 ZINC000757541025 644870299 /nfs/dbraw/zinc/87/02/99/644870299.db2.gz QENGLKOPKHTSBM-UHFFFAOYSA-N 0 0 248.076 2.005 10 0 BEAERN CC(C)(C)Cc1noc([C@H](N)CC2CC2)n1 ZINC000304387110 644901277 /nfs/dbraw/zinc/90/12/77/644901277.db2.gz SAKOQSWGWVCLQH-SECBINFHSA-N 0 0 223.320 2.458 10 0 BEAERN CC(C)(C)Cc1noc([C@@H](N)CC2CC2)n1 ZINC000304387113 644901818 /nfs/dbraw/zinc/90/18/18/644901818.db2.gz SAKOQSWGWVCLQH-VIFPVBQESA-N 0 0 223.320 2.458 10 0 BEAERN CCn1ncnc1-c1ccc2c(c1)CCC2=O ZINC000304445877 644909149 /nfs/dbraw/zinc/90/91/49/644909149.db2.gz IXGKYNNESUFANL-UHFFFAOYSA-N 0 0 227.267 2.094 10 0 BEAERN CCCOC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000304537894 644915111 /nfs/dbraw/zinc/91/51/11/644915111.db2.gz IEYYOABHPOXDOC-QWRGUYRKSA-N 0 0 227.304 2.176 10 0 BEAERN C(c1noc([C@H]2CCCCN2)n1)C1CCC1 ZINC000304588174 644919778 /nfs/dbraw/zinc/91/97/78/644919778.db2.gz KOQWYXRFLXMZIO-SNVBAGLBSA-N 0 0 221.304 2.227 10 0 BEAERN CC(C)=CC(=O)OCCc1c(C)nn(C)c1C ZINC000126624714 645802617 /nfs/dbraw/zinc/80/26/17/645802617.db2.gz KIUFCVVILCCISI-UHFFFAOYSA-N 0 0 236.315 2.089 10 0 BEAERN Cc1ccc([C@@H](C)NC(=S)NC2CC2)o1 ZINC000135793621 711661536 /nfs/dbraw/zinc/66/15/36/711661536.db2.gz RHAIVPLZTSSZMY-MRVPVSSYSA-N 0 0 224.329 2.276 10 0 BEAERN CCNC(=S)N[C@@H](C)c1ccc(C)o1 ZINC000135793289 711661544 /nfs/dbraw/zinc/66/15/44/711661544.db2.gz XQUTWULHOAUKLY-QMMMGPOBSA-N 0 0 212.318 2.133 10 0 BEAERN CCC(F)(F)CN1CC(=O)CC[C@@H]1C ZINC000725621795 711666911 /nfs/dbraw/zinc/66/69/11/711666911.db2.gz VHTIUNRJIWGUOJ-QMMMGPOBSA-N 0 0 205.248 2.085 10 0 BEAERN O=C(NC[C@@H]1CCCC12CC2)n1ccnc1 ZINC000706205773 712140981 /nfs/dbraw/zinc/14/09/81/712140981.db2.gz FHMZUWJIBUCURA-JTQLQIEISA-N 0 0 219.288 2.021 10 0 BEAERN CSC1CC(NC(=O)c2cccc(O)c2)C1 ZINC000707246901 712167654 /nfs/dbraw/zinc/16/76/54/712167654.db2.gz PENBNJGUOCLZTQ-UHFFFAOYSA-N 0 0 237.324 2.016 10 0 BEAERN CCC(C)(C)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707809390 712178975 /nfs/dbraw/zinc/17/89/75/712178975.db2.gz YNLBJRZBVVSHBK-NSHDSACASA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC000707804139 712178174 /nfs/dbraw/zinc/17/81/74/712178174.db2.gz CHPLVYIUYGOLNB-GFCCVEGCSA-N 0 0 225.332 2.250 10 0 BEAERN CC(C)OC(=O)NCC(C)(C)c1ccncc1 ZINC000714279553 712481113 /nfs/dbraw/zinc/48/11/13/712481113.db2.gz NFTUEEBDCVZLHU-UHFFFAOYSA-N 0 0 236.315 2.494 10 0 BEAERN CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000037022071 712529319 /nfs/dbraw/zinc/52/93/19/712529319.db2.gz DQEAKEIVJSSEJO-BQYQJAHWSA-N 0 0 245.731 2.250 10 0 BEAERN O=C(NC1CC(CO)C1)[C@H]1CCC=CCCC1 ZINC000719051953 712794802 /nfs/dbraw/zinc/79/48/02/712794802.db2.gz SMAHIWKGRFPDMW-CPCZMJQVSA-N 0 0 237.343 2.010 10 0 BEAERN CCOC1CC2(C[C@@H]2NC(=O)OC(C)C)C1 ZINC000721226980 712899581 /nfs/dbraw/zinc/89/95/81/712899581.db2.gz WZSCGKYQFLXXPI-YZRBJQDESA-N 0 0 227.304 2.079 10 0 BEAERN C[C@H]1CSCCN(C(=O)N2CCCCC2)C1 ZINC000380380694 712900343 /nfs/dbraw/zinc/90/03/43/712900343.db2.gz OFOAKMOMIKQTIV-LLVKDONJSA-N 0 0 242.388 2.277 10 0 BEAERN C[C@H]1CCN(C(=O)N2CCCCC2)CCS1 ZINC000380380762 712900362 /nfs/dbraw/zinc/90/03/62/712900362.db2.gz ONIZIJYAGZKUIL-NSHDSACASA-N 0 0 242.388 2.420 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ncccc2C(=O)[O-])C(C)(C)C1 ZINC000380400258 712900390 /nfs/dbraw/zinc/90/03/90/712900390.db2.gz OIRIHBMITVOQPF-JTQLQIEISA-N 0 0 248.326 2.400 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000457792494 710868232 /nfs/dbraw/zinc/86/82/32/710868232.db2.gz CSVIVRPSVXOVMH-RMIALFOJSA-N 0 0 241.375 2.334 10 0 BEAERN N[C@H](CC(F)F)c1nc(CC2CCC2)no1 ZINC000380609055 712901745 /nfs/dbraw/zinc/90/17/45/712901745.db2.gz XMNHCUIOFZHGIH-SSDOTTSWSA-N 0 0 231.246 2.067 10 0 BEAERN C[C@@H]1[C@@H](C)CCN1C(=O)N1CCCCC1 ZINC000380745467 712902753 /nfs/dbraw/zinc/90/27/53/712902753.db2.gz IPKNHOTZIYMWTL-WDEREUQCSA-N 0 0 210.321 2.323 10 0 BEAERN C[C@@H]1CCN(C(=O)N2CCCCC2)[C@H]1C ZINC000380745453 712902811 /nfs/dbraw/zinc/90/28/11/712902811.db2.gz IPKNHOTZIYMWTL-MNOVXSKESA-N 0 0 210.321 2.323 10 0 BEAERN CCC1CCC(NC(=O)C[C@H](N)C(F)F)CC1 ZINC000724758032 710746122 /nfs/dbraw/zinc/74/61/22/710746122.db2.gz JBSSMPNEWQSJHO-RTBKNWGFSA-N 0 0 248.317 2.054 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722694342 711466401 /nfs/dbraw/zinc/46/64/01/711466401.db2.gz UMPCXZHBQOSYFZ-OUAUKWLOSA-N 0 0 213.321 2.074 10 0 BEAERN CCCCCC[N@@H+](CC(=O)[O-])CC1CC1 ZINC000037507359 711466912 /nfs/dbraw/zinc/46/69/12/711466912.db2.gz HKJRGOAOBWNMHU-UHFFFAOYSA-N 0 0 213.321 2.363 10 0 BEAERN CN(Cc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000131384203 711629472 /nfs/dbraw/zinc/62/94/72/711629472.db2.gz UEEASXATKVERGQ-UHFFFAOYSA-N 0 0 236.290 2.473 10 0 BEAERN CC(C)CCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192106888 711708242 /nfs/dbraw/zinc/70/82/42/711708242.db2.gz ZIROCXKGRQVBMZ-GHMZBOCLSA-N 0 0 214.305 2.391 10 0 BEAERN CCCCCCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000125112196 711717285 /nfs/dbraw/zinc/71/72/85/711717285.db2.gz JNQRKJSJULZNPN-NWDGAFQWSA-N 0 0 242.363 2.433 10 0 BEAERN Cc1nc(C)c(NC(=O)N2CC3(CC3)C2)s1 ZINC000334692347 711776525 /nfs/dbraw/zinc/77/65/25/711776525.db2.gz VPQVIHAWOONRKD-UHFFFAOYSA-N 0 0 237.328 2.388 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1scnc1Cl ZINC000721955062 711947922 /nfs/dbraw/zinc/94/79/22/711947922.db2.gz LEZOINYMHLZFOJ-YUMQZZPRSA-N 0 0 246.763 2.142 10 0 BEAERN CN(Cc1ccccn1)C(=O)N1CCCCC1 ZINC000132650304 711977549 /nfs/dbraw/zinc/97/75/49/711977549.db2.gz QFKPMPNYHFOAKW-UHFFFAOYSA-N 0 0 233.315 2.119 10 0 BEAERN CCN(C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000132679336 711977997 /nfs/dbraw/zinc/97/79/97/711977997.db2.gz MUNGYJICFNVTEU-LBPRGKRZSA-N 0 0 240.347 2.093 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)N1CCCCC1 ZINC000706414277 712145965 /nfs/dbraw/zinc/14/59/65/712145965.db2.gz XPZGUQOIVBSWMX-UHFFFAOYSA-N 0 0 242.363 2.075 10 0 BEAERN Clc1cnc(CN2C[C@@H]3CCC[C@H]32)cn1 ZINC000706916943 712158363 /nfs/dbraw/zinc/15/83/63/712158363.db2.gz UEAYNMCTEUIHHB-WCBMZHEXSA-N 0 0 223.707 2.114 10 0 BEAERN COc1cccc(O)c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000706845668 712158415 /nfs/dbraw/zinc/15/84/15/712158415.db2.gz DWBMOVHIZZEWMC-ZJUUUORDSA-N 0 0 247.294 2.025 10 0 BEAERN Cc1ccc(N2C(=O)N[C@H](C(C)(C)C)C2=O)cc1 ZINC000706956618 712163510 /nfs/dbraw/zinc/16/35/10/712163510.db2.gz FEGPVDCWMBTMTP-NSHDSACASA-N 0 0 246.310 2.466 10 0 BEAERN CS[C@@H]1CCCCN(C(=O)n2ccnc2)C1 ZINC000707293726 712169439 /nfs/dbraw/zinc/16/94/39/712169439.db2.gz VACIXGXNKMZJQY-SNVBAGLBSA-N 0 0 239.344 2.069 10 0 BEAERN CC(C)OC(=O)NCC[C@@H]1CCSC1 ZINC000707768944 712177556 /nfs/dbraw/zinc/17/75/56/712177556.db2.gz ULWXQQCHYVYLPV-SECBINFHSA-N 0 0 217.334 2.264 10 0 BEAERN CCC(CC)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707806580 712179177 /nfs/dbraw/zinc/17/91/77/712179177.db2.gz LRBOWLKOEGQTTR-LBPRGKRZSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000707831865 712179634 /nfs/dbraw/zinc/17/96/34/712179634.db2.gz FLRVVEPWOIXIMN-GWCFXTLKSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000707831867 712179695 /nfs/dbraw/zinc/17/96/95/712179695.db2.gz FLRVVEPWOIXIMN-GXFFZTMASA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000707862531 712180373 /nfs/dbraw/zinc/18/03/73/712180373.db2.gz UIFQGHNUIWDCRY-GFCCVEGCSA-N 0 0 249.285 2.267 10 0 BEAERN CSC1CC(Nc2nccc3nccnc32)C1 ZINC000708269701 712184895 /nfs/dbraw/zinc/18/48/95/712184895.db2.gz NKMJZICUQHUFPU-UHFFFAOYSA-N 0 0 246.339 2.331 10 0 BEAERN C/C=C\C(=O)N1CCC(c2nccs2)CC1 ZINC000710788197 712256496 /nfs/dbraw/zinc/25/64/96/712256496.db2.gz QPFVTTYUMJEAAY-IHWYPQMZSA-N 0 0 236.340 2.425 10 0 BEAERN COC1(OC)CC[C@@H]1N[C@@H](C)c1ccc(C)o1 ZINC000711042465 712276205 /nfs/dbraw/zinc/27/62/05/712276205.db2.gz QSZKMUUYWAKUCO-JQWIXIFHSA-N 0 0 239.315 2.390 10 0 BEAERN Cc1ccnc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000378708943 712358329 /nfs/dbraw/zinc/35/83/29/712358329.db2.gz RQFVEXXNUNTGIU-HBNTYKKESA-N 0 0 203.289 2.386 10 0 BEAERN Cc1cnc([C@@H](C)NC/C=C\Cl)o1 ZINC000379300900 712372612 /nfs/dbraw/zinc/37/26/12/712372612.db2.gz SLXIUSQXRBAUQW-TUUFMJSCSA-N 0 0 200.669 2.386 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC000713950906 712474786 /nfs/dbraw/zinc/47/47/86/712474786.db2.gz VHCXIUDUFGMPHG-JTQLQIEISA-N 0 0 247.285 2.249 10 0 BEAERN C[C@H](Nc1nccc2nc[nH]c21)C1CC1 ZINC000714219099 712478889 /nfs/dbraw/zinc/47/88/89/712478889.db2.gz SZCADYLCYNVPQB-ZETCQYMHSA-N 0 0 202.261 2.168 10 0 BEAERN CCCn1cc(CN[C@@H](C)c2ccc(C)o2)nn1 ZINC000714502349 712493185 /nfs/dbraw/zinc/49/31/85/712493185.db2.gz UCJHLMBNAFOHSR-NSHDSACASA-N 0 0 248.330 2.440 10 0 BEAERN C[C@@H](Nc1cccc(Cl)n1)c1cn(C)nn1 ZINC000715892586 712540356 /nfs/dbraw/zinc/54/03/56/712540356.db2.gz NBZIOPIUVDUUEK-SSDOTTSWSA-N 0 0 237.694 2.037 10 0 BEAERN Oc1ccc(NCC2(O)CCCCC2)cc1 ZINC000716280609 712553279 /nfs/dbraw/zinc/55/32/79/712553279.db2.gz XSTVIPKYOWFZNX-UHFFFAOYSA-N 0 0 221.300 2.499 10 0 BEAERN CCCCCC[NH2+][C@H](CCC)C(=O)[O-] ZINC000037409714 712604432 /nfs/dbraw/zinc/60/44/32/712604432.db2.gz OQLXNYXTLQTICJ-SNVBAGLBSA-N 0 0 201.310 2.410 10 0 BEAERN Cc1coc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000718488385 712765996 /nfs/dbraw/zinc/76/59/96/712765996.db2.gz HRDQILSBGZHVNZ-UWVGGRQHSA-N 0 0 205.257 2.213 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC000718502155 712767732 /nfs/dbraw/zinc/76/77/32/712767732.db2.gz SMBSDISZUFUIQU-LLVKDONJSA-N 0 0 235.283 2.029 10 0 BEAERN Cc1coc(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000718530871 712771254 /nfs/dbraw/zinc/77/12/54/712771254.db2.gz XGJSCWUQOGTPIS-VIFPVBQESA-N 0 0 225.313 2.166 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ccnc2ncccc12 ZINC000718984306 712791651 /nfs/dbraw/zinc/79/16/51/712791651.db2.gz FAULFACIJVZRNU-GWCFXTLKSA-N 0 0 243.310 2.203 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ccnc3ncccc23)C1 ZINC000718986503 712792419 /nfs/dbraw/zinc/79/24/19/712792419.db2.gz NSGNVOGVTGOGLS-GHMZBOCLSA-N 0 0 243.310 2.345 10 0 BEAERN CC[C@@H](C)c1noc(-c2cnc(N)s2)n1 ZINC000719957813 712826836 /nfs/dbraw/zinc/82/68/36/712826836.db2.gz UBSHNDKJSVYPOP-RXMQYKEDSA-N 0 0 224.289 2.289 10 0 BEAERN CCCCNC(=O)C(=O)c1cccc(C)c1 ZINC000038252307 712829889 /nfs/dbraw/zinc/82/98/89/712829889.db2.gz GMFNKYMQMUHSDN-UHFFFAOYSA-N 0 0 219.284 2.094 10 0 BEAERN Cc1ccc(F)c(CN[C@@H](C)c2cn(C)nn2)c1 ZINC000720594767 712856761 /nfs/dbraw/zinc/85/67/61/712856761.db2.gz HNCKJJXFQQOLOY-JTQLQIEISA-N 0 0 248.305 2.113 10 0 BEAERN Cc1cc(F)ccc1CN[C@H](C)c1cn(C)nn1 ZINC000720602315 712857518 /nfs/dbraw/zinc/85/75/18/712857518.db2.gz LDABCCDCBQHJMW-SNVBAGLBSA-N 0 0 248.305 2.113 10 0 BEAERN C[C@H](Nc1nc2ccccc2o1)c1cn(C)nn1 ZINC000720603842 712858103 /nfs/dbraw/zinc/85/81/03/712858103.db2.gz VMZWUOPEONLWFW-QMMMGPOBSA-N 0 0 243.270 2.129 10 0 BEAERN CC[C@@H](C)c1noc(-c2cnc(CN)s2)n1 ZINC000720631899 712860130 /nfs/dbraw/zinc/86/01/30/712860130.db2.gz WUBDTUJLIMARDM-ZCFIWIBFSA-N 0 0 238.316 2.165 10 0 BEAERN CC[C@H](C)[C@H](C[NH2+][C@H](CC(C)C)C(=O)[O-])OC ZINC000695116674 968956199 /nfs/dbraw/zinc/95/61/99/968956199.db2.gz GFDUQRXHQMEVOK-TUAOUCFPSA-N 0 0 245.363 2.136 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[NH2+]CC[C@H](C)F ZINC000705442334 977278014 /nfs/dbraw/zinc/27/80/14/977278014.db2.gz DZKGJABFFBKHFX-ZETCQYMHSA-N 0 0 229.251 2.124 10 0 BEAERN C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C(C)(C)C(=O)[O-] ZINC000715441462 977756637 /nfs/dbraw/zinc/75/66/37/977756637.db2.gz RPSQXYQTEKEPTF-MNOVXSKESA-N 0 0 225.332 2.218 10 0 BEAERN CC1(C[NH2+]C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CCCC1 ZINC000715638612 977775800 /nfs/dbraw/zinc/77/58/00/977775800.db2.gz CDZHIGJODXENQA-BDAKNGLRSA-N 0 0 247.285 2.122 10 0 BEAERN CCC[C@@](C)([NH2+]C[C@@H]1C[C@H]1CC)C(=O)[O-] ZINC000723124366 978171787 /nfs/dbraw/zinc/17/17/87/978171787.db2.gz UYNIWALVEUHLBQ-JFGNBEQYSA-N 0 0 213.321 2.266 10 0 BEAERN CC[C@]1(C(=O)[O-])CCC[N@H+](C/C=C\Cl)C1 ZINC000213894489 1167749869 /nfs/dbraw/zinc/74/98/69/1167749869.db2.gz YGQNGZIWDGFOSG-QZPNVGJNSA-N 0 0 231.723 2.316 10 0 BEAERN OCc1cc(Oc2ccccc2)ccn1 ZINC000040881361 868003808 /nfs/dbraw/zinc/00/38/08/868003808.db2.gz VDIOPBVTIUQAHE-UHFFFAOYSA-N 0 0 201.225 2.366 10 0 BEAERN CCCCOCC(=O)O[C@@H]1CCCC[C@@H]1OC ZINC000118210928 1168527622 /nfs/dbraw/zinc/52/76/22/1168527622.db2.gz GUZGYPQKSSYDNR-NWDGAFQWSA-N 0 0 244.331 2.304 10 0 BEAERN CC(C)[C@@H]([NH2+]CC1CC2(CCC2)C1)C(=O)[O-] ZINC000691041245 954680540 /nfs/dbraw/zinc/68/05/40/954680540.db2.gz DEYZMNOIYIIIQK-LLVKDONJSA-N 0 0 225.332 2.266 10 0 BEAERN CC(C)CC1([NH2+][C@@H](C(=O)[O-])C2CC2)CC1 ZINC000701909383 954891972 /nfs/dbraw/zinc/89/19/72/954891972.db2.gz CQBRNRMVJCALTG-SNVBAGLBSA-N 0 0 211.305 2.018 10 0 BEAERN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706735705 954955729 /nfs/dbraw/zinc/95/57/29/954955729.db2.gz UGZDEXFEVULWKG-UWVGGRQHSA-N 0 0 219.284 2.225 10 0 BEAERN CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000710540888 955030160 /nfs/dbraw/zinc/03/01/60/955030160.db2.gz XWDYUNVRQKJVGG-OUAUKWLOSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1coc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000718087918 955154509 /nfs/dbraw/zinc/15/45/09/955154509.db2.gz WWUVTJJMUZNZJJ-GHMZBOCLSA-N 0 0 237.299 2.273 10 0 BEAERN O=C([O-])CCC[NH2+]Cc1cccc2ncccc12 ZINC000720446810 955177135 /nfs/dbraw/zinc/17/71/35/955177135.db2.gz ZEPMTMPFXPNMSH-UHFFFAOYSA-N 0 0 244.294 2.189 10 0 BEAERN C/C=C(/CC)C(=O)NCc1cscn1 ZINC000588566834 958336396 /nfs/dbraw/zinc/33/63/96/958336396.db2.gz KZTUEWMIBDPQEW-BAQGIRSFSA-N 0 0 210.302 2.116 10 0 BEAERN CC/C=C(/C)C(=O)OC[C@@H](C)COC ZINC000588485372 958750484 /nfs/dbraw/zinc/75/04/84/958750484.db2.gz SUHAWPIGXXCAJS-LKJZUNMESA-N 0 0 200.278 2.168 10 0 BEAERN COC[C@@H](C)COC(=O)/C=C\c1cncc(C)c1 ZINC000588485270 958751633 /nfs/dbraw/zinc/75/16/33/958751633.db2.gz DNIPJOBRYJLPLE-QMAVJUDZSA-N 0 0 249.310 2.229 10 0 BEAERN C/C=C(/CC)C(=O)NCc1cccc(OC)n1 ZINC000588566583 959189764 /nfs/dbraw/zinc/18/97/64/959189764.db2.gz QASVGZXGQHQEAQ-WMZJFQQLSA-N 0 0 234.299 2.063 10 0 BEAERN CCC[C@@H](C)COC(=O)/C=C\c1ccncn1 ZINC000588586169 959405724 /nfs/dbraw/zinc/40/57/24/959405724.db2.gz DOMZKTFRIOOAIF-ISALQUGTSA-N 0 0 234.299 2.469 10 0 BEAERN CCC[C@H](C)COC(=O)/C=C\c1ccncn1 ZINC000588586168 959407168 /nfs/dbraw/zinc/40/71/68/959407168.db2.gz DOMZKTFRIOOAIF-GZTOBOFZSA-N 0 0 234.299 2.469 10 0 BEAERN CC/C=C(/C)C(=O)OC[C@@H]1C[C@@H]1OCC ZINC000588599928 959573172 /nfs/dbraw/zinc/57/31/72/959573172.db2.gz QHFPEJDJUPDJDR-PNEDHVDMSA-N 0 0 212.289 2.311 10 0 BEAERN COCCCCC(=O)O[C@@H]1CCCC[C@@H]1OC ZINC000121159184 960822919 /nfs/dbraw/zinc/82/29/19/960822919.db2.gz FEYLPBXUBLYBSY-NWDGAFQWSA-N 0 0 244.331 2.304 10 0 BEAERN Cc1c(C(=O)N[C@@H]2C[C@H]2C)cnn1C1CCCC1 ZINC000121381877 960960474 /nfs/dbraw/zinc/96/04/74/960960474.db2.gz BWALZSSHFZGGAS-NOZJJQNGSA-N 0 0 247.342 2.445 10 0 BEAERN Cc1nccnc1[C@@H](C)NCc1cncs1 ZINC000219251620 961132469 /nfs/dbraw/zinc/13/24/69/961132469.db2.gz YZJSFIPIHCHHIC-SECBINFHSA-N 0 0 234.328 2.092 10 0 BEAERN CC(C)CCCC[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000703949117 969001798 /nfs/dbraw/zinc/00/17/98/969001798.db2.gz DGXVRISJJIYDMT-NSHDSACASA-N 0 0 215.337 2.465 10 0 BEAERN CC[C@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000712395324 969062396 /nfs/dbraw/zinc/06/23/96/969062396.db2.gz IBNHEBCIRIMEQF-NAKRPEOUSA-N 0 0 211.305 2.018 10 0 BEAERN Cc1ccncc1C[N@H+](C)CCCCC(=O)[O-] ZINC000719391732 969102579 /nfs/dbraw/zinc/10/25/79/969102579.db2.gz BEHIMUUYBRAMPM-UHFFFAOYSA-N 0 0 236.315 2.077 10 0 BEAERN CSc1cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000686957188 976124746 /nfs/dbraw/zinc/12/47/46/976124746.db2.gz YMZKVUSHHXLFCU-SECBINFHSA-N 0 0 239.340 2.313 10 0 BEAERN O=C([O-])c1cc(C[NH2+]C2CC=CC2)cs1 ZINC000689167260 976236376 /nfs/dbraw/zinc/23/63/76/976236376.db2.gz GOSSDGWREFVHDQ-UHFFFAOYSA-N 0 0 223.297 2.255 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000689419878 976254191 /nfs/dbraw/zinc/25/41/91/976254191.db2.gz AXCMFQQNAOOUKG-LBPRGKRZSA-N 0 0 237.274 2.319 10 0 BEAERN CCCC[C@H]([NH2+]CC1CC(C)C1)C(=O)[O-] ZINC000691026134 976344561 /nfs/dbraw/zinc/34/45/61/976344561.db2.gz HYKZKKPLZPRHGP-ILDUYXDCSA-N 0 0 213.321 2.266 10 0 BEAERN CCC[C@@H]1CCC[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000691547572 976366257 /nfs/dbraw/zinc/36/62/57/976366257.db2.gz LQZMTPYECFBFIH-SNVBAGLBSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635893 976379477 /nfs/dbraw/zinc/37/94/77/976379477.db2.gz ZAIFSSWUIGRLDE-QWRGUYRKSA-N 0 0 225.332 2.362 10 0 BEAERN O=C([O-])[C@H]1CCCCC[N@@H+]1CC1CC=CC1 ZINC000692042329 976397693 /nfs/dbraw/zinc/39/76/93/976397693.db2.gz BOFCDEGCJSWHBN-GFCCVEGCSA-N 0 0 223.316 2.282 10 0 BEAERN O=C([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000694378324 976693018 /nfs/dbraw/zinc/69/30/18/976693018.db2.gz VNUGGFSNEAOWKQ-ADEWGFFLSA-N 0 0 246.310 2.058 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000695084406 976776093 /nfs/dbraw/zinc/77/60/93/976776093.db2.gz RMAXJRGKNXMCMZ-VXGBXAGGSA-N 0 0 225.332 2.218 10 0 BEAERN C[C@H](CC(=O)[O-])SCCC[NH+]1CCCCC1 ZINC000695297505 976790600 /nfs/dbraw/zinc/79/06/00/976790600.db2.gz AAWWKDKKGQMLEH-LLVKDONJSA-N 0 0 245.388 2.459 10 0 BEAERN CC[C@H](C)CC[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000696259879 976809777 /nfs/dbraw/zinc/80/97/77/976809777.db2.gz VWDPQVAVIZDCBC-QMMMGPOBSA-N 0 0 242.344 2.367 10 0 BEAERN Cc1c(C(=O)[O-])cc(C[NH2+]C2(C3CC3)CC2)n1C ZINC000697342307 976840193 /nfs/dbraw/zinc/84/01/93/976840193.db2.gz LSGBBNWOJZLMHW-UHFFFAOYSA-N 0 0 248.326 2.064 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000698388054 976890899 /nfs/dbraw/zinc/89/08/99/976890899.db2.gz TZTOMAAURJPWAS-SRVKXCTJSA-N 0 0 225.332 2.266 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CC1CC(C)(C)C1 ZINC000701661489 977033898 /nfs/dbraw/zinc/03/38/98/977033898.db2.gz FWOPVORDRJQSGG-UHFFFAOYSA-N 0 0 213.321 2.266 10 0 BEAERN O=C([O-])c1cc[nH+]c(NCC[C@@H]2CC2(F)F)c1 ZINC000701981881 977058851 /nfs/dbraw/zinc/05/88/51/977058851.db2.gz FIEWELASLYEMRN-MRVPVSSYSA-N 0 0 242.225 2.237 10 0 BEAERN C[C@H](F)CC[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000702562082 977090984 /nfs/dbraw/zinc/09/09/84/977090984.db2.gz HHHMTXVNIZNHMK-VIFPVBQESA-N 0 0 225.263 2.223 10 0 BEAERN C[C@H](F)CC[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000702570763 977091576 /nfs/dbraw/zinc/09/15/76/977091576.db2.gz VYJOCNNAFWLYLP-ZETCQYMHSA-N 0 0 231.292 2.284 10 0 BEAERN C[C@H](F)CC[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000702643171 977099268 /nfs/dbraw/zinc/09/92/68/977099268.db2.gz HVMQDDDJSDMMEU-BQBZGAKWSA-N 0 0 246.307 2.240 10 0 BEAERN CC[N@H+](CCC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703865877 977207260 /nfs/dbraw/zinc/20/72/60/977207260.db2.gz AMLXGOGBRUXTJM-UHFFFAOYSA-N 0 0 242.706 2.032 10 0 BEAERN C[N@H+](Cc1ccc(Cl)cn1)C(C)(C)C(=O)[O-] ZINC000703867500 977208060 /nfs/dbraw/zinc/20/80/60/977208060.db2.gz GUCQBPLDPWVEIO-UHFFFAOYSA-N 0 0 242.706 2.030 10 0 BEAERN CC[C@@](C)([NH2+]Cc1ncccc1Cl)C(=O)[O-] ZINC000703894783 977208675 /nfs/dbraw/zinc/20/86/75/977208675.db2.gz LBCRNIYDBIJLAD-LLVKDONJSA-N 0 0 242.706 2.078 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC000704859332 977265332 /nfs/dbraw/zinc/26/53/32/977265332.db2.gz GVIKXRUUPPURFV-RHYQMDGZSA-N 0 0 225.332 2.408 10 0 BEAERN CCCC[C@@H](C(=O)[O-])[N@H+](C)CC(O)(CC)CC ZINC000706413593 977314885 /nfs/dbraw/zinc/31/48/85/977314885.db2.gz ZHGNSGICCPFKMN-NSHDSACASA-N 0 0 245.363 2.113 10 0 BEAERN CC(C)[C@H]([NH2+]CC1CC(C)(C)C1)C(=O)[O-] ZINC000706427166 977315630 /nfs/dbraw/zinc/31/56/30/977315630.db2.gz YNVYKQIMFJJYKM-JTQLQIEISA-N 0 0 213.321 2.121 10 0 BEAERN O=C([O-])CC1(C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000706448042 977324325 /nfs/dbraw/zinc/32/43/25/977324325.db2.gz FZQFINWSUZQAOJ-LLVKDONJSA-N 0 0 223.316 2.116 10 0 BEAERN C[C@@H]([NH2+]Cc1occc1C(=O)[O-])C1(C)CC1 ZINC000706599838 977355768 /nfs/dbraw/zinc/35/57/68/977355768.db2.gz VABHAIPBMFACQH-MRVPVSSYSA-N 0 0 223.272 2.256 10 0 BEAERN CC[N@H+](Cc1oncc1C(=O)[O-])[C@@H](C)C(C)C ZINC000706665818 977358155 /nfs/dbraw/zinc/35/81/55/977358155.db2.gz AHRDSKDGVHVXKO-VIFPVBQESA-N 0 0 240.303 2.239 10 0 BEAERN C[C@@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])[C@@H]1C ZINC000706744913 977360626 /nfs/dbraw/zinc/36/06/26/977360626.db2.gz UOBZVYHGLDLNCQ-GHMZBOCLSA-N 0 0 249.310 2.104 10 0 BEAERN O=C([O-])c1occc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000706933291 977368958 /nfs/dbraw/zinc/36/89/58/977368958.db2.gz BTNWLUHTJIRTJG-MWLCHTKSSA-N 0 0 235.283 2.352 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1F ZINC000707021593 977373443 /nfs/dbraw/zinc/37/34/43/977373443.db2.gz WTNGBNMVZVNRLH-SKDRFNHKSA-N 0 0 235.258 2.118 10 0 BEAERN O=C([O-])c1ccc(F)c(C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000707021645 977373734 /nfs/dbraw/zinc/37/37/34/977373734.db2.gz XHPSPUVEZISBAO-QPUJVOFHSA-N 0 0 235.258 2.118 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708821160 977444586 /nfs/dbraw/zinc/44/45/86/977444586.db2.gz DEHYNMNPXUDTLA-NWDGAFQWSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@H](c1cccnc1)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710318602 977503204 /nfs/dbraw/zinc/50/32/04/977503204.db2.gz CYYGQHKEGNLZAA-WDMOLILDSA-N 0 0 248.326 2.185 10 0 BEAERN CSCCC[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711674390 977566213 /nfs/dbraw/zinc/56/62/13/977566213.db2.gz LOYOCBSVDISQRB-PWSUYJOCSA-N 0 0 243.372 2.069 10 0 BEAERN C=C/C=C\CC[NH2+][C@@H](CCCC)C(=O)[O-] ZINC000713456470 977636403 /nfs/dbraw/zinc/63/64/03/977636403.db2.gz TWDWEZHAMVWFSN-XOIDGJRKSA-N 0 0 211.305 2.352 10 0 BEAERN C=C/C=C/CC[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000713714615 977658026 /nfs/dbraw/zinc/65/80/26/977658026.db2.gz BHLSNRRYWDIMPT-ILBNWAPMSA-N 0 0 223.316 2.161 10 0 BEAERN CCC[NH+](CCC)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000714815587 977680461 /nfs/dbraw/zinc/68/04/61/977680461.db2.gz ZVGZAKYUHHYSAG-BDAKNGLRSA-N 0 0 235.274 2.074 10 0 BEAERN CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715248441 977706581 /nfs/dbraw/zinc/70/65/81/977706581.db2.gz MPGFUVIAIPNITN-KATARQTJSA-N 0 0 247.285 2.121 10 0 BEAERN CC1(C)CC[C@H]([NH2+]C[C@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC000715248584 977706850 /nfs/dbraw/zinc/70/68/50/977706850.db2.gz MZPPVODBBFUSSN-XHNCKOQMSA-N 0 0 247.285 2.121 10 0 BEAERN CCCC[C@H]([NH2+][C@@H](C)c1ccns1)C(=O)[O-] ZINC000715976852 977802743 /nfs/dbraw/zinc/80/27/43/977802743.db2.gz UPSQQZCRRHFDHK-IUCAKERBSA-N 0 0 242.344 2.437 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000718058840 977937914 /nfs/dbraw/zinc/93/79/14/977937914.db2.gz QFIYGXRWWMAZLD-CYZMBNFOSA-N 0 0 249.310 2.273 10 0 BEAERN O=C([O-])c1cncc(C[N@@H+]2CC3CCC2CC3)c1 ZINC000721538832 978117108 /nfs/dbraw/zinc/11/71/08/978117108.db2.gz FJFGDUGWYUKPKV-UHFFFAOYSA-N 0 0 246.310 2.154 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721583599 978119362 /nfs/dbraw/zinc/11/93/62/978119362.db2.gz GEKXDHUMMPEVFJ-ZJUUUORDSA-N 0 0 234.299 2.010 10 0 BEAERN C/C(=C/C(=O)[O-])C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724684070 978234388 /nfs/dbraw/zinc/23/43/88/978234388.db2.gz IZLNIRLWWBOCMX-NTMALXAHSA-N 0 0 241.306 2.231 10 0 BEAERN CC(C)[C@H](C)OC(=O)CNC(=O)c1ccccc1 ZINC000133246869 984106651 /nfs/dbraw/zinc/10/66/51/984106651.db2.gz UTYLXFPIPAUOIQ-NSHDSACASA-N 0 0 249.310 2.004 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cc(F)c(F)cc1N ZINC000050017003 984195544 /nfs/dbraw/zinc/19/55/44/984195544.db2.gz YSPXOPABSGGTTH-ZETCQYMHSA-N 0 0 240.253 2.172 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cnccn2)C1 ZINC000044029388 1171349276 /nfs/dbraw/zinc/34/92/76/1171349276.db2.gz XCVRXRPXFKPWNA-JTQLQIEISA-N 0 0 249.314 2.201 10 0 BEAERN CNc1ncccc1C(=O)Nc1ncc(C)s1 ZINC000050728238 1171833060 /nfs/dbraw/zinc/83/30/60/1171833060.db2.gz FALVSOJTISVEDH-UHFFFAOYSA-N 0 0 248.311 2.141 10 0 BEAERN CCCC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000050907067 1171853402 /nfs/dbraw/zinc/85/34/02/1171853402.db2.gz SZSKJEQJILKPSR-UHFFFAOYSA-N 0 0 221.304 2.062 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@H](C(C)C)N2 ZINC000685963690 538910439 /nfs/dbraw/zinc/91/04/39/538910439.db2.gz VPUBOSYSRXHBLO-STQMWFEESA-N 0 0 221.300 2.049 10 0 BEAERN COc1ccc(-c2c(N)n[nH]c2C)c(C)c1 ZINC000022009997 136208455 /nfs/dbraw/zinc/20/84/55/136208455.db2.gz UHJQSFZJRDUCOT-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN CC[C@@H](C)OCC(F)(F)CNC(C)C ZINC000685955842 538901788 /nfs/dbraw/zinc/90/17/88/538901788.db2.gz FEFAWBRBYJJDLV-SECBINFHSA-N 0 0 209.280 2.435 10 0 BEAERN Cc1cc(C)cc([C@H]2NC(=O)[C@H]3CCCCN32)c1 ZINC000172856250 177919625 /nfs/dbraw/zinc/91/96/25/177919625.db2.gz NSKVERDFZXAPNI-KGLIPLIRSA-N 0 0 244.338 2.286 10 0 BEAERN CCCNCC(F)(F)COC(C)(C)C ZINC000685958140 538905289 /nfs/dbraw/zinc/90/52/89/538905289.db2.gz QHAGQHYDGFFYNS-UHFFFAOYSA-N 0 0 209.280 2.436 10 0 BEAERN C[C@@H]1C(=O)NC2(CCCCC2)[C@@H]1C1CC1 ZINC000685958374 538906045 /nfs/dbraw/zinc/90/60/45/538906045.db2.gz MQDRICIMGKDYMZ-ONGXEEELSA-N 0 0 207.317 2.481 10 0 BEAERN O=C1C[C@@H](c2cnsc2)C2(CCCCC2)N1 ZINC000685958629 538906131 /nfs/dbraw/zinc/90/61/31/538906131.db2.gz BURLGCXYJAZHNN-JTQLQIEISA-N 0 0 236.340 2.450 10 0 BEAERN CCN(Cc1ccccc1)CC(F)(F)CNC ZINC000685958360 538906142 /nfs/dbraw/zinc/90/61/42/538906142.db2.gz XFYJUTVVQPJFLV-UHFFFAOYSA-N 0 0 242.313 2.363 10 0 BEAERN C[C@@H]1C[C@H]1[C@H]1CC(=O)NC12CCCCC2 ZINC000685959581 538906693 /nfs/dbraw/zinc/90/66/93/538906693.db2.gz PUWRCRYOZVGJGZ-GMTAPVOTSA-N 0 0 207.317 2.481 10 0 BEAERN C[C@@H]1C[C@H]1[C@@H]1CC(=O)NC12CCCCC2 ZINC000685959582 538906779 /nfs/dbraw/zinc/90/67/79/538906779.db2.gz PUWRCRYOZVGJGZ-MXWKQRLJSA-N 0 0 207.317 2.481 10 0 BEAERN CC[C@@H](OC)[C@H]1CC(=O)NC12CCCCC2 ZINC000685960020 538907146 /nfs/dbraw/zinc/90/71/46/538907146.db2.gz XOGLGGCGPXXBSU-GHMZBOCLSA-N 0 0 225.332 2.250 10 0 BEAERN C[C@@H]1C(=O)NC2(CCCCC2)C12CSC2 ZINC000685959774 538907281 /nfs/dbraw/zinc/90/72/81/538907281.db2.gz RXWIAXFYWCKAOD-SECBINFHSA-N 0 0 225.357 2.188 10 0 BEAERN CC(C)(C)OC(=O)NCC(=O)C[C@@H]1CC1(F)F ZINC000685960699 538907553 /nfs/dbraw/zinc/90/75/53/538907553.db2.gz ZWNNXOVCMCVKTR-SSDOTTSWSA-N 0 0 249.257 2.126 10 0 BEAERN O=c1cc[nH]c2ccc(C(F)(F)F)nc12 ZINC000685960992 538908088 /nfs/dbraw/zinc/90/80/88/538908088.db2.gz KUZIGMSZJPAEJJ-UHFFFAOYSA-N 0 0 214.146 2.389 10 0 BEAERN C[C@H]1SCCS[C@@H]1c1nc(Cl)n[nH]1 ZINC000228193497 398136876 /nfs/dbraw/zinc/13/68/76/398136876.db2.gz MZNUSAXVEXWBIA-UHNVWZDZSA-N 0 0 235.765 2.368 10 0 BEAERN CC(C)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961685 538908661 /nfs/dbraw/zinc/90/86/61/538908661.db2.gz NIKXKSBWXRBDIU-UWVGGRQHSA-N 0 0 241.331 2.372 10 0 BEAERN C[C@H]1C[C@H]1CC(=O)CNC(=O)OC(C)(C)C ZINC000685962465 538909162 /nfs/dbraw/zinc/90/91/62/538909162.db2.gz JCGPPGPFXOWMDB-IUCAKERBSA-N 0 0 227.304 2.126 10 0 BEAERN CCc1cccc2c1N[C@@H](C1CC1)[C@@H](O)C2 ZINC000685963269 538909266 /nfs/dbraw/zinc/90/92/66/538909266.db2.gz KQTWZIGRJQOAQE-JSGCOSHPSA-N 0 0 217.312 2.357 10 0 BEAERN CCc1cccc2c1N[C@H](C1CC1)[C@@H](O)C2 ZINC000685963268 538909380 /nfs/dbraw/zinc/90/93/80/538909380.db2.gz KQTWZIGRJQOAQE-GXTWGEPZSA-N 0 0 217.312 2.357 10 0 BEAERN C[C@H](O)CCc1occc1Br ZINC000070770204 398137685 /nfs/dbraw/zinc/13/76/85/398137685.db2.gz ZHDYOPSOTHUCEJ-LURJTMIESA-N 0 0 219.078 2.356 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@H](C1CC1)N2 ZINC000685963548 538910624 /nfs/dbraw/zinc/91/06/24/538910624.db2.gz SBWADEUROCLPFD-OLZOCXBDSA-N 0 0 203.285 2.103 10 0 BEAERN CCc1ccc2c(c1)C[C@H](O)[C@@H](C1CC1)N2 ZINC000685963544 538910008 /nfs/dbraw/zinc/91/00/08/538910008.db2.gz RVMPTLIBOCRCKS-UONOGXRCSA-N 0 0 217.312 2.357 10 0 BEAERN CCC[C@H]1Nc2ccc(OC)cc2C[C@H]1O ZINC000685963468 538910188 /nfs/dbraw/zinc/91/01/88/538910188.db2.gz PBIRPYWPWCICBL-CHWSQXEVSA-N 0 0 221.300 2.193 10 0 BEAERN COC(=O)[C@H]1COc2c1ccc(Cl)c2F ZINC000685952186 538896508 /nfs/dbraw/zinc/89/65/08/538896508.db2.gz ZUBHSIYXBHOWFV-LURJTMIESA-N 0 0 230.622 2.128 10 0 BEAERN CCC(CC)(CCC(N)=S)C1OCCO1 ZINC000071372369 168318667 /nfs/dbraw/zinc/31/86/67/168318667.db2.gz QFXOSRNLVPVKDB-UHFFFAOYSA-N 0 0 231.361 2.232 10 0 BEAERN Nc1cn(Cc2ccc(Cl)c(F)c2)cn1 ZINC000685964304 538911211 /nfs/dbraw/zinc/91/12/11/538911211.db2.gz UEZLBZFMUZUREH-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN Nc1cn(Cc2cccc(Cl)c2F)cn1 ZINC000685964286 538911232 /nfs/dbraw/zinc/91/12/32/538911232.db2.gz JWYSPIFWRZCFBW-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN C=C(OCC)c1cc(Cl)nc(COC)n1 ZINC000685965221 538911445 /nfs/dbraw/zinc/91/14/45/538911445.db2.gz UNKUICLNAJFVHH-UHFFFAOYSA-N 0 0 228.679 2.284 10 0 BEAERN CC[C@H](NC(=O)N[C@@H]1CCCOCC1)C(C)C ZINC000408117962 136210786 /nfs/dbraw/zinc/21/07/86/136210786.db2.gz KKPAISMRJFKTDF-NEPJUHHUSA-N 0 0 242.363 2.289 10 0 BEAERN CC[C@H](C)n1cc2c(n1)[C@H](C)NC(=O)O2 ZINC000685965596 538911689 /nfs/dbraw/zinc/91/16/89/538911689.db2.gz KZNQUVOLXMVHDI-BQBZGAKWSA-N 0 0 209.249 2.017 10 0 BEAERN Nc1ccc2cn(CCC3CC3)nc2c1 ZINC000685965406 538911700 /nfs/dbraw/zinc/91/17/00/538911700.db2.gz CMCVQTVJPGFUHN-UHFFFAOYSA-N 0 0 201.273 2.419 10 0 BEAERN CCCOCn1cc2ccc(N)cc2n1 ZINC000685965349 538911875 /nfs/dbraw/zinc/91/18/75/538911875.db2.gz AUMBMRIUJYWEHU-UHFFFAOYSA-N 0 0 205.261 2.003 10 0 BEAERN C[C@H]1C[C@@H]1Cn1cc2ccc(N)cc2n1 ZINC000685965483 538911884 /nfs/dbraw/zinc/91/18/84/538911884.db2.gz GQWXZIMMONMQBA-WCBMZHEXSA-N 0 0 201.273 2.275 10 0 BEAERN C[C@@H]1C[C@H]1Cn1cc2ccc(N)cc2n1 ZINC000685965482 538911964 /nfs/dbraw/zinc/91/19/64/538911964.db2.gz GQWXZIMMONMQBA-SCZZXKLOSA-N 0 0 201.273 2.275 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H](CC1CC1)N2 ZINC000685963430 538912746 /nfs/dbraw/zinc/91/27/46/538912746.db2.gz OGIIEEKJNDTOKP-KBPBESRZSA-N 0 0 217.312 2.493 10 0 BEAERN Cc1cc(C)nc(Sc2ccc(N)nc2)n1 ZINC000051606515 177948727 /nfs/dbraw/zinc/94/87/27/177948727.db2.gz VOMUXARUAVXMBL-UHFFFAOYSA-N 0 0 232.312 2.222 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@H]2O)ccc1F ZINC000061097170 187322726 /nfs/dbraw/zinc/32/27/26/187322726.db2.gz NLJAVCYXXWFKKR-VXGBXAGGSA-N 0 0 209.264 2.459 10 0 BEAERN CCC(CC)C(=O)N(CCC(N)=S)C1CC1 ZINC000041625702 168333097 /nfs/dbraw/zinc/33/30/97/168333097.db2.gz PNBZDMKFGWSBSX-UHFFFAOYSA-N 0 0 242.388 2.090 10 0 BEAERN CC(C)n1cc(O[C@@H]2CCCC[C@@H]2O)cn1 ZINC000162030620 538920594 /nfs/dbraw/zinc/92/05/94/538920594.db2.gz GMDVUDHSDAQCSU-NWDGAFQWSA-N 0 0 224.304 2.146 10 0 BEAERN Cc1cc(CNc2cc(F)ccc2N)on1 ZINC000052122078 178041389 /nfs/dbraw/zinc/04/13/89/178041389.db2.gz FDKOSHQYYNSHHS-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2ccc(F)cc2N)on1 ZINC000044988200 178042940 /nfs/dbraw/zinc/04/29/40/178042940.db2.gz BHQNRYQOOYXVDS-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CO)ccc1N(C)C[C@H]1CCCO1 ZINC000050561027 178045401 /nfs/dbraw/zinc/04/54/01/178045401.db2.gz KSSOJQDZGSQWNA-CYBMUJFWSA-N 0 0 235.327 2.103 10 0 BEAERN Brc1cnn2c1NC[C@@H]1CCC[C@H]12 ZINC000232457666 398181251 /nfs/dbraw/zinc/18/12/51/398181251.db2.gz QZKQHTKWRGWHQG-POYBYMJQSA-N 0 0 242.120 2.412 10 0 BEAERN Cc1cc(Cl)ccc1N(C)C[C@H](C)O ZINC000049815555 178067681 /nfs/dbraw/zinc/06/76/81/178067681.db2.gz BSTLWGLXEGWQPR-VIFPVBQESA-N 0 0 213.708 2.465 10 0 BEAERN Cc1cc(Cl)ccc1OCCn1cncn1 ZINC000004141320 178068366 /nfs/dbraw/zinc/06/83/66/178068366.db2.gz OIDWUFCQUXOXGT-UHFFFAOYSA-N 0 0 237.690 2.319 10 0 BEAERN Cc1cc(Cl)nc(Cl)c1C(N)=S ZINC000083350902 178071068 /nfs/dbraw/zinc/07/10/68/178071068.db2.gz YOQNIOWZWWSZGL-UHFFFAOYSA-N 0 0 221.112 2.331 10 0 BEAERN Cc1cc(F)c(N)c(C(=O)OC(C)C)c1 ZINC000037475452 178075680 /nfs/dbraw/zinc/07/56/80/178075680.db2.gz SWPIUPDVENOYAZ-UHFFFAOYSA-N 0 0 211.236 2.282 10 0 BEAERN Cc1cc(F)ccc1NCCC(=O)N(C)C ZINC000037897863 178089403 /nfs/dbraw/zinc/08/94/03/178089403.db2.gz ASIXMKJSAHEVBZ-UHFFFAOYSA-N 0 0 224.279 2.024 10 0 BEAERN Cc1cc(F)ccc1Nc1ncc(N)cn1 ZINC000040455531 178091241 /nfs/dbraw/zinc/09/12/41/178091241.db2.gz GPYUHQXPHHSSDC-UHFFFAOYSA-N 0 0 218.235 2.250 10 0 BEAERN Cc1cc(F)ccc1[C@@H]1NC(=O)[C@@H]2CCCCN12 ZINC000078758625 178091829 /nfs/dbraw/zinc/09/18/29/178091829.db2.gz LKVVKMZLFZVEEQ-QWHCGFSZSA-N 0 0 248.301 2.117 10 0 BEAERN Cc1cc(N(C)C)ccc1NCc1nccn1C ZINC000060392864 178094947 /nfs/dbraw/zinc/09/49/47/178094947.db2.gz YMIUOYDGEUBHDQ-UHFFFAOYSA-N 0 0 244.342 2.407 10 0 BEAERN Cc1cc(N(C)C)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226503 178095092 /nfs/dbraw/zinc/09/50/92/178095092.db2.gz XPPXBDKBBWPNEH-UHFFFAOYSA-N 0 0 230.267 2.307 10 0 BEAERN Cc1cc(N)c(N2CCCC2=O)cc1C ZINC000050439737 178103684 /nfs/dbraw/zinc/10/36/84/178103684.db2.gz JXMKEUOFVUVRRX-UHFFFAOYSA-N 0 0 204.273 2.012 10 0 BEAERN Cc1cc(N)c(NC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC000050438978 178104171 /nfs/dbraw/zinc/10/41/71/178104171.db2.gz LPVGCHXHMDIPBM-VHSXEESVSA-N 0 0 218.300 2.480 10 0 BEAERN Cc1cc(N)ccc1NC(=O)CCOC(C)C ZINC000019386147 178104873 /nfs/dbraw/zinc/10/48/73/178104873.db2.gz NJBBBFPASPYPRD-UHFFFAOYSA-N 0 0 236.315 2.331 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000022143153 178105558 /nfs/dbraw/zinc/10/55/58/178105558.db2.gz ALYWWYKQIUHDID-OIBJUYFYSA-N 0 0 204.273 2.172 10 0 BEAERN Cc1cc(N)ccc1NC1(CO)CCCC1 ZINC000053045143 178105659 /nfs/dbraw/zinc/10/56/59/178105659.db2.gz QLEJGCOBWOLILW-UHFFFAOYSA-N 0 0 220.316 2.294 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)OC(C)C ZINC000054036098 178106004 /nfs/dbraw/zinc/10/60/04/178106004.db2.gz CKKCVDWJRDSFMO-SNVBAGLBSA-N 0 0 236.315 2.329 10 0 BEAERN Cc1n[nH]cc1CNc1ccc(N)cc1C ZINC000042358795 178106926 /nfs/dbraw/zinc/10/69/26/178106926.db2.gz VLGKYEXHVHNKOP-UHFFFAOYSA-N 0 0 216.288 2.221 10 0 BEAERN Cc1nnc(CSc2ccc(N)cc2C)n1C ZINC000035696323 178107578 /nfs/dbraw/zinc/10/75/78/178107578.db2.gz FPBOGCMKJDITSA-UHFFFAOYSA-N 0 0 248.355 2.306 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)NCC(F)F)o1 ZINC000073503407 398198566 /nfs/dbraw/zinc/19/85/66/398198566.db2.gz TYIXCKHYKLKGIH-SSDOTTSWSA-N 0 0 232.230 2.213 10 0 BEAERN Cc1cc(N2C(=O)C=CC2=O)ccc1Cl ZINC000229015629 178110737 /nfs/dbraw/zinc/11/07/37/178110737.db2.gz ZPMWPVSIEWCCKT-UHFFFAOYSA-N 0 0 221.643 2.078 10 0 BEAERN Cc1cc(N)nn1Cc1c(F)cccc1F ZINC000067800340 178110907 /nfs/dbraw/zinc/11/09/07/178110907.db2.gz RSPRHPSWZCQXOS-UHFFFAOYSA-N 0 0 223.226 2.100 10 0 BEAERN Clc1nsnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000307734543 398208917 /nfs/dbraw/zinc/20/89/17/398208917.db2.gz VNPIVIHBJULYKP-FPFOFBBKSA-N 0 0 215.709 2.402 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)sn1 ZINC000190323947 178145225 /nfs/dbraw/zinc/14/52/25/178145225.db2.gz JXBNWGDKTZOOJZ-RKDXNWHRSA-N 0 0 240.328 2.205 10 0 BEAERN Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 ZINC000048602534 178149266 /nfs/dbraw/zinc/14/92/66/178149266.db2.gz YKHNCWFDUNJCAJ-AEJSXWLSSA-N 0 0 219.288 2.093 10 0 BEAERN Cc1cc(NC(=O)c2cccc(N)c2C)no1 ZINC000021955581 178150008 /nfs/dbraw/zinc/15/00/08/178150008.db2.gz UZSFPKJFGWSQKC-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2cccn2C2CC2)n[nH]1 ZINC000104447239 178152034 /nfs/dbraw/zinc/15/20/34/178152034.db2.gz HYLQGPQTNDJLBW-UHFFFAOYSA-N 0 0 230.271 2.107 10 0 BEAERN CC(C)CNC(=O)c1ccc2c(c1)CCCN2 ZINC000019722842 538927548 /nfs/dbraw/zinc/92/75/48/538927548.db2.gz AHXFDYGUHDMXNH-UHFFFAOYSA-N 0 0 232.327 2.431 10 0 BEAERN Cc1cc(NCC[C@@H]2CCCO2)nc(C)n1 ZINC000037982108 178163048 /nfs/dbraw/zinc/16/30/48/178163048.db2.gz ZTQWHKTUWJKODL-NSHDSACASA-N 0 0 221.304 2.074 10 0 BEAERN Cc1cc(NC[C@H]2CCCOC2)nc(Cl)n1 ZINC000052814909 178169493 /nfs/dbraw/zinc/16/94/93/178169493.db2.gz ZXOAFFONBQUBAM-SECBINFHSA-N 0 0 241.722 2.277 10 0 BEAERN C[C@H](C1CC1)C1N=NC(=S)N1C1CC1 ZINC000163714368 538930101 /nfs/dbraw/zinc/93/01/01/538930101.db2.gz OQHVJKXUZXRZFN-ZCFIWIBFSA-N 0 0 209.318 2.415 10 0 BEAERN Cc1cc(NCc2ccoc2)nnc1C ZINC000302795764 178174211 /nfs/dbraw/zinc/17/42/11/178174211.db2.gz PCKFKPRPXNRUEW-UHFFFAOYSA-N 0 0 203.245 2.299 10 0 BEAERN Cc1cc(N[C@H]2CCCC[C@@H]2O)nc(Cl)n1 ZINC000052815085 178189227 /nfs/dbraw/zinc/18/92/27/178189227.db2.gz DPXFWWASAPSNOW-IUCAKERBSA-N 0 0 241.722 2.154 10 0 BEAERN CCn1nccc1/C=C/Br ZINC000606275732 538930230 /nfs/dbraw/zinc/93/02/30/538930230.db2.gz JWGKFMHQLHNZQW-HWKANZROSA-N 0 0 201.067 2.269 10 0 BEAERN CN(Cc1cscn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381116517 398221456 /nfs/dbraw/zinc/22/14/56/398221456.db2.gz HINIRJZINHGIKE-ZYHUDNBSSA-N 0 0 240.372 2.126 10 0 BEAERN Cc1cc(NN)c2cc(C)c(C)cc2n1 ZINC000095755912 178177515 /nfs/dbraw/zinc/17/75/15/178177515.db2.gz LGVRMFSENCGRJU-UHFFFAOYSA-N 0 0 201.273 2.446 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@@H]2O)nc(C(C)C)n1 ZINC000301673911 178188834 /nfs/dbraw/zinc/18/88/34/178188834.db2.gz RMNGMTOTLDHEGS-QWRGUYRKSA-N 0 0 235.331 2.234 10 0 BEAERN Cc1cc(N[C@H](C)COCC(C)C)ncn1 ZINC000301241529 178185611 /nfs/dbraw/zinc/18/56/11/178185611.db2.gz ODLFTXLTBYILCT-LLVKDONJSA-N 0 0 223.320 2.258 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@@]2(C)CO)nc(C)n1 ZINC000301432744 178188993 /nfs/dbraw/zinc/18/89/93/178188993.db2.gz GLKXUKLDRBNYOL-AAEUAGOBSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(N[C@H]2COc3ccccc32)ncn1 ZINC000070079342 178190689 /nfs/dbraw/zinc/19/06/89/178190689.db2.gz QDMXPEUVJJDMEM-NSHDSACASA-N 0 0 227.267 2.331 10 0 BEAERN Cc1cc(O)c(Br)c(O)c1 ZINC000013524990 178193811 /nfs/dbraw/zinc/19/38/11/178193811.db2.gz XLPKBJXZQQPGDQ-UHFFFAOYSA-N 0 0 203.035 2.169 10 0 BEAERN Cc1cc(Oc2cccc(N)c2)nc(C)n1 ZINC000037756846 178214500 /nfs/dbraw/zinc/21/45/00/178214500.db2.gz AAPAJKMREPCZEY-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1cc(OCC2CCOCC2)ccc1N ZINC000052146460 178209584 /nfs/dbraw/zinc/20/95/84/178209584.db2.gz YGTBWELRGAEGIS-UHFFFAOYSA-N 0 0 221.300 2.383 10 0 BEAERN Cc1cc(Oc2ccc(F)cc2N)ncn1 ZINC000052065318 178214866 /nfs/dbraw/zinc/21/48/66/178214866.db2.gz NKLKAMNDIOKHHA-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1cc2ncnn2c(Oc2cccc(N)c2)c1 ZINC000038056529 178214894 /nfs/dbraw/zinc/21/48/94/178214894.db2.gz WSTFRCJOCFYJCC-UHFFFAOYSA-N 0 0 240.266 2.412 10 0 BEAERN Cc1cc(OCc2ccco2)ncc1N ZINC000077297709 178212848 /nfs/dbraw/zinc/21/28/48/178212848.db2.gz FPVLLEVDJFDANG-UHFFFAOYSA-N 0 0 204.229 2.144 10 0 BEAERN Cc1cc(Oc2cccnn2)ccc1N ZINC000052831438 178215772 /nfs/dbraw/zinc/21/57/72/178215772.db2.gz ZXCFNIHMNUAAOS-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1cc(S(=O)(=O)C(F)F)ccc1F ZINC000041243862 178216060 /nfs/dbraw/zinc/21/60/60/178216060.db2.gz KXSVVFLUCPOAIW-UHFFFAOYSA-N 0 0 224.203 2.130 10 0 BEAERN Cc1cc(Oc2cccc(N)c2C)ncn1 ZINC000040727486 178216115 /nfs/dbraw/zinc/21/61/15/178216115.db2.gz FTZBXQPDUGEKTN-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN OCCCCOc1cc(F)ccc1F ZINC000070819712 361770853 /nfs/dbraw/zinc/77/08/53/361770853.db2.gz HBTPNOCDZJHIAJ-UHFFFAOYSA-N 0 0 202.200 2.116 10 0 BEAERN Cc1cc(=S)[nH]c(-c2cccnc2)n1 ZINC000045956215 178218059 /nfs/dbraw/zinc/21/80/59/178218059.db2.gz CSNQBARCKVQRDG-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN Cc1cc(Sc2ccc(N)cc2)n(C)n1 ZINC000052308365 178219153 /nfs/dbraw/zinc/21/91/53/178219153.db2.gz UXOGMGQLFIDBTL-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN C[C@@H](O)c1csc(-c2ccccn2)n1 ZINC000070843679 361795486 /nfs/dbraw/zinc/79/54/86/361795486.db2.gz IAWOHYRBOZTNEJ-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN Cc1cc([C@H](C[NH3+])CC(=O)[O-])c2ccccc2n1 ZINC000092346919 178261542 /nfs/dbraw/zinc/26/15/42/178261542.db2.gz KRDXKQBWFCWGSB-JTQLQIEISA-N 0 0 244.294 2.060 10 0 BEAERN Cc1cc([C@H]([NH2+]C2CC2)C(=O)[O-])ccc1F ZINC000050559021 178262344 /nfs/dbraw/zinc/26/23/44/178262344.db2.gz SMRZUANXIYXYMV-NSHDSACASA-N 0 0 223.247 2.012 10 0 BEAERN CSc1nc(NN)c(Cl)cc1Cl ZINC000226660638 398239923 /nfs/dbraw/zinc/23/99/23/398239923.db2.gz GSMVRHKZYTWDTD-UHFFFAOYSA-N 0 0 224.116 2.396 10 0 BEAERN Cc1cc2c(N[C@@H](C)C(C)C)nccn2n1 ZINC000156936734 178280864 /nfs/dbraw/zinc/28/08/64/178280864.db2.gz QFQRZVODRRSYLS-JTQLQIEISA-N 0 0 218.304 2.494 10 0 BEAERN Cc1cc2c(cc1Br)COC2=O ZINC000146521009 178284168 /nfs/dbraw/zinc/28/41/68/178284168.db2.gz IRUDYCTYMRMENS-UHFFFAOYSA-N 0 0 227.057 2.428 10 0 BEAERN Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1C[C@@H]1C)CO2 ZINC000184848444 178287037 /nfs/dbraw/zinc/28/70/37/178287037.db2.gz XSJGNANLNJGHMY-UHTWSYAYSA-N 0 0 245.322 2.304 10 0 BEAERN Cc1cc2c3nn(C)c(=O)c-3c[nH]c2cc1Cl ZINC000072237412 178289446 /nfs/dbraw/zinc/28/94/46/178289446.db2.gz QCWIYROZBPSWGW-UHFFFAOYSA-N 0 0 247.685 2.377 10 0 BEAERN CC[C@H](C(=O)C(F)F)C(=O)C1CCC1 ZINC000322896908 538940101 /nfs/dbraw/zinc/94/01/01/538940101.db2.gz FMIQAISFADQQLJ-ZETCQYMHSA-N 0 0 204.216 2.216 10 0 BEAERN Clc1cccc2c1[C@@H](N[C@@H]1CCOC1)CO2 ZINC000367282783 398248847 /nfs/dbraw/zinc/24/88/47/398248847.db2.gz OHZJPAUQBCEHNX-SCZZXKLOSA-N 0 0 239.702 2.152 10 0 BEAERN Clc1cccc2c1[C@H](N[C@H]1CCOC1)CO2 ZINC000367282784 398249045 /nfs/dbraw/zinc/24/90/45/398249045.db2.gz OHZJPAUQBCEHNX-WCBMZHEXSA-N 0 0 239.702 2.152 10 0 BEAERN Cc1cc2c(cc3c(=S)[nH]ncn23)o1 ZINC000006750378 178293212 /nfs/dbraw/zinc/29/32/12/178293212.db2.gz UIHNGHHRYWVHPO-UHFFFAOYSA-N 0 0 205.242 2.447 10 0 BEAERN Cc1ccc(-c2c[nH]nc2N2CCOCC2)cc1 ZINC000044857644 178317232 /nfs/dbraw/zinc/31/72/32/178317232.db2.gz NJQKIKMWGAKXEJ-UHFFFAOYSA-N 0 0 243.310 2.222 10 0 BEAERN Cc1ccc(-c2cc(N(C)C)c(=O)[nH]n2)cc1 ZINC000045921432 178320963 /nfs/dbraw/zinc/32/09/63/178320963.db2.gz JDDAKCKOAGWWPE-UHFFFAOYSA-N 0 0 229.283 2.224 10 0 BEAERN Cc1nn(-c2ccc(C)cc2)c(N)c1N=O ZINC000136714097 178348876 /nfs/dbraw/zinc/34/88/76/178348876.db2.gz BMWJVLYEKYTLPK-UHFFFAOYSA-N 0 0 216.244 2.469 10 0 BEAERN CCOC(CC(=O)C1CCC1)OCC ZINC000140008952 538951240 /nfs/dbraw/zinc/95/12/40/538951240.db2.gz QPYYOHZCBFAVDM-UHFFFAOYSA-N 0 0 200.278 2.145 10 0 BEAERN Cc1ccc(C(=O)N(C)c2ccccn2)cc1O ZINC000019839079 178380678 /nfs/dbraw/zinc/38/06/78/178380678.db2.gz YXUWQFVZAJHVJE-UHFFFAOYSA-N 0 0 242.278 2.372 10 0 BEAERN Cc1ccc(C(=O)N(CCCO)C(C)C)cc1 ZINC000038098416 178382739 /nfs/dbraw/zinc/38/27/39/178382739.db2.gz YTTGDJNBJWIDHM-UHFFFAOYSA-N 0 0 235.327 2.228 10 0 BEAERN CCC(CC)N(CCO)c1ccc(F)cc1N ZINC000042500939 168373432 /nfs/dbraw/zinc/37/34/32/168373432.db2.gz BEOJCFQRQGITNF-UHFFFAOYSA-N 0 0 240.322 2.395 10 0 BEAERN CCC(CC)N(CCO)c1ccc(N)cc1F ZINC000042500985 168373890 /nfs/dbraw/zinc/37/38/90/168373890.db2.gz YPQDJQFKBPEJPS-UHFFFAOYSA-N 0 0 240.322 2.395 10 0 BEAERN Cc1ccc(C(=O)CN2C[C@H](C)CC2=O)cc1C ZINC000062817001 178372784 /nfs/dbraw/zinc/37/27/84/178372784.db2.gz ZMWKCRFZCMVIIK-SNVBAGLBSA-N 0 0 245.322 2.355 10 0 BEAERN CCC(CC)NC(=O)N1CCC[C@H]1C[C@H](C)O ZINC000119970374 168378146 /nfs/dbraw/zinc/37/81/46/168378146.db2.gz KPJRQXAJMQNUEX-JQWIXIFHSA-N 0 0 242.363 2.120 10 0 BEAERN CCOC(=O)[C@@H]1c2ccccc2CCN1CC ZINC000149376820 346842224 /nfs/dbraw/zinc/84/22/24/346842224.db2.gz DNUPXBIBMSKWMB-ZDUSSCGKSA-N 0 0 233.311 2.169 10 0 BEAERN CC(C)(C)C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000082256978 398272296 /nfs/dbraw/zinc/27/22/96/398272296.db2.gz PZKSZMUZUZTMKH-GFCCVEGCSA-N 0 0 246.354 2.428 10 0 BEAERN CCc1cc(N2CCS[C@@H](C)C2)nc(C)n1 ZINC000180434338 538958241 /nfs/dbraw/zinc/95/82/41/538958241.db2.gz ATZQROUWPOJULS-VIFPVBQESA-N 0 0 237.372 2.289 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)CC1CC1 ZINC000405579547 538960478 /nfs/dbraw/zinc/96/04/78/538960478.db2.gz NENMAKXYOGOGPO-MRVPVSSYSA-N 0 0 227.304 2.269 10 0 BEAERN CC(=O)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000405619833 538960481 /nfs/dbraw/zinc/96/04/81/538960481.db2.gz DLYFCRJBTHOTFU-LBPRGKRZSA-N 0 0 227.304 2.269 10 0 BEAERN CC(C)(C)OC(=O)NCCCC(=O)C1CC1 ZINC000405660009 538960664 /nfs/dbraw/zinc/96/06/64/538960664.db2.gz FGGLIDAMZZCPHH-UHFFFAOYSA-N 0 0 227.304 2.270 10 0 BEAERN CC(C)OCCCC(=O)N[C@H](C)C(C)C ZINC000181473633 538960740 /nfs/dbraw/zinc/96/07/40/538960740.db2.gz NCKNSWGTUFHHHV-LLVKDONJSA-N 0 0 215.337 2.352 10 0 BEAERN COC(=O)Sc1nc2ccccc2[nH]1 ZINC000000045563 342671237 /nfs/dbraw/zinc/67/12/37/342671237.db2.gz SNHZAPFRSAGHRS-UHFFFAOYSA-N 0 0 208.242 2.421 10 0 BEAERN CC(=O)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406056956 538963091 /nfs/dbraw/zinc/96/30/91/538963091.db2.gz YJTLWHISVMGDIT-UWVGGRQHSA-N 0 0 225.288 2.045 10 0 BEAERN OCc1cnc(Sc2cccs2)nc1 ZINC000126830349 342694650 /nfs/dbraw/zinc/69/46/50/342694650.db2.gz CTOXHHUUBDHXFB-UHFFFAOYSA-N 0 0 224.310 2.182 10 0 BEAERN Nc1c2nsnc2ccc1Br ZINC000000973684 342695176 /nfs/dbraw/zinc/69/51/76/342695176.db2.gz ZPTMCCNDLRKYHB-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN CCOC(=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000082714298 398278407 /nfs/dbraw/zinc/27/84/07/398278407.db2.gz XUJFSDUUSBEUKV-LBPRGKRZSA-N 0 0 233.311 2.466 10 0 BEAERN CC(=O)c1ccc2c(C)nc(C)nc2c1 ZINC000001593970 342704859 /nfs/dbraw/zinc/70/48/59/342704859.db2.gz LPFOCMNNWUGZIK-UHFFFAOYSA-N 0 0 200.241 2.449 10 0 BEAERN COCCC[C@@H](C)C(=O)N[C@@H](C)C(C)C ZINC000182191531 538962140 /nfs/dbraw/zinc/96/21/40/538962140.db2.gz JXCPZADJLZYYTR-MNOVXSKESA-N 0 0 215.337 2.210 10 0 BEAERN Nc1cc(-c2ccc3ccccc3c2)nc(N)n1 ZINC000004234614 342744928 /nfs/dbraw/zinc/74/49/28/342744928.db2.gz QPUIIKQIKWAGAF-UHFFFAOYSA-N 0 0 236.278 2.461 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000183449852 538966885 /nfs/dbraw/zinc/96/68/85/538966885.db2.gz VJLUUDIVARRJKJ-NOOOWODRSA-N 0 0 227.348 2.210 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000183449868 538966958 /nfs/dbraw/zinc/96/69/58/538966958.db2.gz VJLUUDIVARRJKJ-FIQHERPVSA-N 0 0 227.348 2.210 10 0 BEAERN COc1cc(C(F)(F)F)c(F)cc1N ZINC000306659851 361868848 /nfs/dbraw/zinc/86/88/48/361868848.db2.gz PMIPSKHBKPFLGK-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN COCc1cn2cccc(OC(F)F)c2n1 ZINC000144328636 342729874 /nfs/dbraw/zinc/72/98/74/342729874.db2.gz IESBYFIAOSXWFT-UHFFFAOYSA-N 0 0 228.198 2.082 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)s1 ZINC000051990215 178432147 /nfs/dbraw/zinc/43/21/47/178432147.db2.gz KPELEECPSZWMNP-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN C[C@@H](NC(=O)n1ccnc1)c1cccs1 ZINC000035737281 342757643 /nfs/dbraw/zinc/75/76/43/342757643.db2.gz RRLLHJRJYOJTFM-MRVPVSSYSA-N 0 0 221.285 2.264 10 0 BEAERN CCC(CC)NC(=O)c1ccc(N)c(F)c1 ZINC000054405111 168386341 /nfs/dbraw/zinc/38/63/41/168386341.db2.gz WOTLMIVHPRHGRO-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN CC(C)(O)c1cnc(Cl)nc1C(F)(F)F ZINC000147568564 342778049 /nfs/dbraw/zinc/77/80/49/342778049.db2.gz DIYZHXODJWLDKF-UHFFFAOYSA-N 0 0 240.612 2.376 10 0 BEAERN O=c1[nH]c(-c2[nH]c3ccccc3c2Cl)no1 ZINC000146234136 342768229 /nfs/dbraw/zinc/76/82/29/342768229.db2.gz KIZQYWCWOXJQOX-UHFFFAOYSA-N 0 0 235.630 2.165 10 0 BEAERN CCOC(=O)/C=C(/C)NC(=O)c1ccc(C)cc1 ZINC000005795612 342770080 /nfs/dbraw/zinc/77/00/80/342770080.db2.gz ITUCVDFIJUJRNC-LUAWRHEFSA-N 0 0 247.294 2.192 10 0 BEAERN Cn1cnc2ccc(Br)c(F)c21 ZINC000146729941 342771300 /nfs/dbraw/zinc/77/13/00/342771300.db2.gz BQIFBRIJTXKRGS-UHFFFAOYSA-N 0 0 229.052 2.475 10 0 BEAERN Cc1ccc(C2(O)CCC(O)CC2)cc1 ZINC000146679146 342771627 /nfs/dbraw/zinc/77/16/27/342771627.db2.gz PSNWDGCBSTXWTO-UHFFFAOYSA-N 0 0 206.285 2.118 10 0 BEAERN O=S1(=O)N=C(Cl)c2ccc(Cl)cc21 ZINC000006094052 342773520 /nfs/dbraw/zinc/77/35/20/342773520.db2.gz VJJUJEMEUPXOOB-UHFFFAOYSA-N 0 0 236.079 2.028 10 0 BEAERN OCc1cc2cc(-c3cnccn3)ccc2o1 ZINC000147498944 342776994 /nfs/dbraw/zinc/77/69/94/342776994.db2.gz LFQPTMLGMNCBPC-UHFFFAOYSA-N 0 0 226.235 2.382 10 0 BEAERN CCOc1n[nH]cc1Cc1ccccc1 ZINC000147543986 342777530 /nfs/dbraw/zinc/77/75/30/342777530.db2.gz CTWOOAXFLGCTEL-UHFFFAOYSA-N 0 0 202.257 2.399 10 0 BEAERN Cc1nn(C(C)(C)C)cc1C(=O)N[C@H]1C[C@@H]1C ZINC000184241024 538968672 /nfs/dbraw/zinc/96/86/72/538968672.db2.gz SEBNKHSRBKRQPV-KWQFWETISA-N 0 0 235.331 2.085 10 0 BEAERN CC[C@@H](NC(=O)CCSC)c1nccs1 ZINC000130859218 398285164 /nfs/dbraw/zinc/28/51/64/398285164.db2.gz DGHAVZJJXSZMTH-MRVPVSSYSA-N 0 0 244.385 2.464 10 0 BEAERN Clc1nsnc1NCc1ccoc1 ZINC000130854706 398285335 /nfs/dbraw/zinc/28/53/35/398285335.db2.gz ZQDIJCGUWPTOKA-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN C=Cc1ccc2c(C(=O)OC)nn(C)c2c1 ZINC000149132894 342793042 /nfs/dbraw/zinc/79/30/42/342793042.db2.gz CAAPOWBVNWRUFV-UHFFFAOYSA-N 0 0 216.240 2.003 10 0 BEAERN O=C(NC1CCCCC1)c1cc(F)nc(F)c1 ZINC000149984132 342794514 /nfs/dbraw/zinc/79/45/14/342794514.db2.gz FHAJJGHTLRLJPE-UHFFFAOYSA-N 0 0 240.253 2.422 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@@H]2CC(C)(C)CO2)o1 ZINC000634582369 342798098 /nfs/dbraw/zinc/79/80/98/342798098.db2.gz QNXMCABZZROOLE-MNOVXSKESA-N 0 0 238.331 2.449 10 0 BEAERN OCC[C@@H](O)c1ccccc1C(F)(F)F ZINC000150239935 342798886 /nfs/dbraw/zinc/79/88/86/342798886.db2.gz ROMLWXASPCWWKX-SECBINFHSA-N 0 0 220.190 2.121 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC(C)(C)C1 ZINC000188430681 538979011 /nfs/dbraw/zinc/97/90/11/538979011.db2.gz QHLCCQYWTRZUIK-MNOVXSKESA-N 0 0 225.332 2.060 10 0 BEAERN Oc1cccc(SCc2ncon2)c1 ZINC000127021142 342814519 /nfs/dbraw/zinc/81/45/19/342814519.db2.gz WWEMDOQITYXRBI-UHFFFAOYSA-N 0 0 208.242 2.068 10 0 BEAERN CC(C)(F)[C@@H](O)COCc1ccccc1 ZINC000138318496 342820382 /nfs/dbraw/zinc/82/03/82/342820382.db2.gz AYXLONZZJWSGII-NSHDSACASA-N 0 0 212.264 2.312 10 0 BEAERN [O-][n+]1c2ccccc2nn1-c1ccccc1Cl ZINC000138317268 342820444 /nfs/dbraw/zinc/82/04/44/342820444.db2.gz PGMDSTJJYGKZCM-UHFFFAOYSA-N 0 0 245.669 2.312 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2coc(C)n2)o1 ZINC000186828365 538975123 /nfs/dbraw/zinc/97/51/23/538975123.db2.gz TWRDTJAAEIXNKW-MRVPVSSYSA-N 0 0 234.255 2.375 10 0 BEAERN CCC(CC)[C@@H](O)CNC(=O)CCCSC ZINC000126968668 342807925 /nfs/dbraw/zinc/80/79/25/342807925.db2.gz ULBRVQHUIFFTBP-NSHDSACASA-N 0 0 247.404 2.043 10 0 BEAERN COC(=O)CCC(=O)c1cccc(F)c1C ZINC000394784699 342835021 /nfs/dbraw/zinc/83/50/21/342835021.db2.gz NSUGPASLMIGQOT-UHFFFAOYSA-N 0 0 224.231 2.270 10 0 BEAERN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NO ZINC000127070883 342829268 /nfs/dbraw/zinc/82/92/68/342829268.db2.gz FDAKBZMSUJEDDJ-ZJUUUORDSA-N 0 0 244.335 2.049 10 0 BEAERN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NO ZINC000127071292 342829326 /nfs/dbraw/zinc/82/93/26/342829326.db2.gz FDAKBZMSUJEDDJ-NXEZZACHSA-N 0 0 244.335 2.049 10 0 BEAERN CN(C)c1cccc(O[C@H]2CCC[C@@H]2O)c1 ZINC000044367549 538988709 /nfs/dbraw/zinc/98/87/09/538988709.db2.gz QKFLHODGQJTEGU-STQMWFEESA-N 0 0 221.300 2.045 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCC1(C)C ZINC000191205213 538992005 /nfs/dbraw/zinc/99/20/05/538992005.db2.gz JUGLVHXMJAYSRE-MNOVXSKESA-N 0 0 225.332 2.203 10 0 BEAERN Cc1nnc(Cl)n1Cc1ccccc1 ZINC000071052916 361936942 /nfs/dbraw/zinc/93/69/42/361936942.db2.gz GCXYENMPQDCVEJ-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN COc1ccc(-n2cnnc2Cl)cc1F ZINC000071053669 361937339 /nfs/dbraw/zinc/93/73/39/361937339.db2.gz WZUNMVOLOUDYGQ-UHFFFAOYSA-N 0 0 227.626 2.068 10 0 BEAERN CO[C@@H]1CCCC[C@H]1n1cc(Cl)c(N)n1 ZINC000379905921 538981599 /nfs/dbraw/zinc/98/15/99/538981599.db2.gz IDUJAPQBMYBGDQ-RKDXNWHRSA-N 0 0 229.711 2.079 10 0 BEAERN Clc1nncn1CCc1ccsc1 ZINC000071057070 361940424 /nfs/dbraw/zinc/94/04/24/361940424.db2.gz QOVRAOYZEQIHHD-UHFFFAOYSA-N 0 0 213.693 2.236 10 0 BEAERN CN(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000193182009 539002968 /nfs/dbraw/zinc/00/29/68/539002968.db2.gz IFUIPYVYSIZEAJ-SFYZADRCSA-N 0 0 238.253 2.379 10 0 BEAERN COCc1nc(CNC2CC(F)(F)C2)cs1 ZINC000381606637 539004681 /nfs/dbraw/zinc/00/46/81/539004681.db2.gz QKTKSUSOZNBESP-UHFFFAOYSA-N 0 0 248.298 2.177 10 0 BEAERN Nc1ccc2[nH]c(SC(F)F)nc2c1 ZINC000042142119 361960137 /nfs/dbraw/zinc/96/01/37/361960137.db2.gz TXMBXJBKITWKOP-UHFFFAOYSA-N 0 0 215.228 2.460 10 0 BEAERN COC(=O)[C@@H]1O[C@@]1(C)[C@H]1CC2CCC1CC2 ZINC000381762436 539006867 /nfs/dbraw/zinc/00/68/67/539006867.db2.gz XGNNOHBGPONGAA-OMUODCKXSA-N 0 0 224.300 2.143 10 0 BEAERN C[C@H](c1cccc2ccccc21)S(N)(=O)=O ZINC000050350178 539011019 /nfs/dbraw/zinc/01/10/19/539011019.db2.gz DPCJLGDXDZHRBB-SECBINFHSA-N 0 0 235.308 2.189 10 0 BEAERN CCOC(=O)CC1(O)CCCCCC1 ZINC000052248512 539011890 /nfs/dbraw/zinc/01/18/90/539011890.db2.gz QZXDPJNZSJYJEC-UHFFFAOYSA-N 0 0 200.278 2.025 10 0 BEAERN O=C(NCC1CCCCC1)C(F)(F)F ZINC000038951803 344006328 /nfs/dbraw/zinc/00/63/28/344006328.db2.gz UPGMYJPYALRFEG-UHFFFAOYSA-N 0 0 209.211 2.245 10 0 BEAERN Nc1ccc2c(c1)oc(=O)n2Cc1ccccc1 ZINC000011632555 342842290 /nfs/dbraw/zinc/84/22/90/342842290.db2.gz RVSUQOYXAQTQNX-UHFFFAOYSA-N 0 0 240.262 2.225 10 0 BEAERN COC[C@H](C)NCc1cc(C(C)(C)C)on1 ZINC000390663389 539026965 /nfs/dbraw/zinc/02/69/65/539026965.db2.gz SVITWPUZIYYIMQ-VIFPVBQESA-N 0 0 226.320 2.097 10 0 BEAERN Cc1cc([C@H]2NCCc3occc32)sn1 ZINC000709991382 539027772 /nfs/dbraw/zinc/02/77/72/539027772.db2.gz WMFPHDWWVAVVQB-NSHDSACASA-N 0 0 220.297 2.280 10 0 BEAERN CCCC[C@@H](C)N(C)CC(F)(F)CN ZINC000389297402 539016345 /nfs/dbraw/zinc/01/63/45/539016345.db2.gz HHUUSKPIAYVCGM-SECBINFHSA-N 0 0 208.296 2.091 10 0 BEAERN COC(=O)C[C@@H]1CSc2cc(O)ccc21 ZINC000144023467 361989391 /nfs/dbraw/zinc/98/93/91/361989391.db2.gz OVBBNSSEXWXZRS-SSDOTTSWSA-N 0 0 224.281 2.145 10 0 BEAERN O=Cc1ccccc1N1CCCSCC1 ZINC000042444175 362000511 /nfs/dbraw/zinc/00/05/11/362000511.db2.gz QRVKPASIBYKPII-UHFFFAOYSA-N 0 0 221.325 2.442 10 0 BEAERN CN(Cc1ccoc1)c1ccc(Cl)nn1 ZINC000042449048 362000555 /nfs/dbraw/zinc/00/05/55/362000555.db2.gz MQQSAAXLVXNHBG-UHFFFAOYSA-N 0 0 223.663 2.359 10 0 BEAERN CCOC(=O)N1CC[C@@H](C(F)(F)F)C1 ZINC000308508598 342846362 /nfs/dbraw/zinc/84/63/62/342846362.db2.gz AZIBZQSNMXSILC-ZCFIWIBFSA-N 0 0 211.183 2.027 10 0 BEAERN CC[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1CCC[C@H]1C ZINC000385782828 342852532 /nfs/dbraw/zinc/85/25/32/342852532.db2.gz ZYRKDOVORKXBEW-YVECIDJPSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1OCC[C@@]1(O)CCc1cccs1 ZINC000134435103 342854328 /nfs/dbraw/zinc/85/43/28/342854328.db2.gz QVVAFOJIUAALDT-KOLCDFICSA-N 0 0 212.314 2.221 10 0 BEAERN C[C@H]1OCC[C@]1(O)c1ccccc1Cl ZINC000134440029 342854350 /nfs/dbraw/zinc/85/43/50/342854350.db2.gz JGTXLLULQSUCEW-LDYMZIIASA-N 0 0 212.676 2.336 10 0 BEAERN CO[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000219379460 342860835 /nfs/dbraw/zinc/86/08/35/342860835.db2.gz KZDYTPGCOWPXET-ZJUUUORDSA-N 0 0 229.320 2.469 10 0 BEAERN CCCn1cc([C@H]2NCCCS2)cn1 ZINC000233430123 342861315 /nfs/dbraw/zinc/86/13/15/342861315.db2.gz MHNNQLOFAMUYLG-JTQLQIEISA-N 0 0 211.334 2.018 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@H]1CCO[C@H]1C ZINC000134562689 342866099 /nfs/dbraw/zinc/86/60/99/342866099.db2.gz JLLYNIDJMGFROP-JQWIXIFHSA-N 0 0 207.273 2.267 10 0 BEAERN C[C@H](NO)c1cccc2c1OC(F)(F)O2 ZINC000308763081 342870127 /nfs/dbraw/zinc/87/01/27/342870127.db2.gz SCKNJUQTPRDHOP-YFKPBYRVSA-N 0 0 217.171 2.048 10 0 BEAERN O[C@H]1CSC[C@@H]1Cc1ccc(F)cc1 ZINC000134659094 342875385 /nfs/dbraw/zinc/87/53/85/342875385.db2.gz ZBCJDOAKAQJHEJ-ONGXEEELSA-N 0 0 212.289 2.092 10 0 BEAERN O[C@@H]1CSC[C@H]1CCc1ccccc1 ZINC000134662228 342875570 /nfs/dbraw/zinc/87/55/70/342875570.db2.gz PXEPILAVXFBHNV-VXGBXAGGSA-N 0 0 208.326 2.343 10 0 BEAERN CCNc1c(N)cc(N)c(Cl)c1F ZINC000233657008 342876050 /nfs/dbraw/zinc/87/60/50/342876050.db2.gz IWNNGGCSLCAZAM-UHFFFAOYSA-N 0 0 203.648 2.075 10 0 BEAERN CC(F)(F)C(C)(C)n1cnnc1Cl ZINC000406759291 342876906 /nfs/dbraw/zinc/87/69/06/342876906.db2.gz IMPXZRFGJRZISJ-UHFFFAOYSA-N 0 0 209.627 2.322 10 0 BEAERN NN[C@@H](c1sccc1Cl)[C@@H]1CCCO1 ZINC000229966412 342859499 /nfs/dbraw/zinc/85/94/99/342859499.db2.gz NQSDPQVUHLRBAT-JGVFFNPUSA-N 0 0 232.736 2.085 10 0 BEAERN CCCc1nn2c(c1Br)NCCC2 ZINC000233388490 342860451 /nfs/dbraw/zinc/86/04/51/342860451.db2.gz LJILLZCZRGAYRI-UHFFFAOYSA-N 0 0 244.136 2.414 10 0 BEAERN CC[C@@H](C)c1noc(-c2cc3n(n2)CCC3)n1 ZINC000333170255 398316194 /nfs/dbraw/zinc/31/61/94/398316194.db2.gz JHKDBMIBUJHIRR-MRVPVSSYSA-N 0 0 232.287 2.393 10 0 BEAERN CCc1nc([C@](C)(N)C(F)(F)F)cs1 ZINC000165286329 342896489 /nfs/dbraw/zinc/89/64/89/342896489.db2.gz ICXDWKQKDXKWBP-ZETCQYMHSA-N 0 0 224.251 2.442 10 0 BEAERN COc1ccsc1-c1nnc(Cl)o1 ZINC000157742032 342879423 /nfs/dbraw/zinc/87/94/23/342879423.db2.gz OWVJOLPXWIENEK-UHFFFAOYSA-N 0 0 216.649 2.460 10 0 BEAERN COc1c(Cl)ncnc1OC1CCC1 ZINC000134729092 342879788 /nfs/dbraw/zinc/87/97/88/342879788.db2.gz WCAFRZFJMHWXSG-UHFFFAOYSA-N 0 0 214.652 2.070 10 0 BEAERN Cn1ccnc1CNc1ccccc1F ZINC000034937782 342882473 /nfs/dbraw/zinc/88/24/73/342882473.db2.gz RNHQIGYLWOKMEI-UHFFFAOYSA-N 0 0 205.236 2.171 10 0 BEAERN Cc1ccc(C(N)=S)c(N[C@H]2C[C@@H]2C)c1 ZINC000052292614 178458840 /nfs/dbraw/zinc/45/88/40/178458840.db2.gz XJZHYYOAMWSDOT-WPRPVWTQSA-N 0 0 220.341 2.450 10 0 BEAERN Clc1csc(Sc2nc[nH]n2)n1 ZINC000165247526 342889940 /nfs/dbraw/zinc/88/99/40/342889940.db2.gz XHAQTTKTYJRVNI-UHFFFAOYSA-N 0 0 218.694 2.066 10 0 BEAERN COC(=O)c1ccc(C(F)(F)F)c(N)c1OC ZINC000014982874 342890187 /nfs/dbraw/zinc/89/01/87/342890187.db2.gz PWIAKZSHJGKMIN-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN BrC1=CCCC2(C1)OCCO2 ZINC000015042940 342891036 /nfs/dbraw/zinc/89/10/36/342891036.db2.gz KOGVFXIYCXYORS-UHFFFAOYSA-N 0 0 219.078 2.192 10 0 BEAERN Cc1ccc(C(F)(F)C(F)(F)F)nn1 ZINC000096308614 178457135 /nfs/dbraw/zinc/45/71/35/178457135.db2.gz CUAPYLUZMKXHNB-UHFFFAOYSA-N 0 0 212.121 2.439 10 0 BEAERN O=C([O-])[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000016082825 342906095 /nfs/dbraw/zinc/90/60/95/342906095.db2.gz SWPHLTJACFTRIP-WDEREUQCSA-N 0 0 223.272 2.013 10 0 BEAERN COC(=O)C[C@H](C)COCc1ccccc1 ZINC000016124970 342906538 /nfs/dbraw/zinc/90/65/38/342906538.db2.gz LQERMHQDNYEWHA-NSHDSACASA-N 0 0 222.284 2.402 10 0 BEAERN CCOC(=O)c1ccc(NC(C)=O)cc1C ZINC000309174538 342903355 /nfs/dbraw/zinc/90/33/55/342903355.db2.gz UJHIVOCEDKLHRM-UHFFFAOYSA-N 0 0 221.256 2.130 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)c(C)cn1 ZINC000309187116 342904467 /nfs/dbraw/zinc/90/44/67/342904467.db2.gz KBYALDFEEZSBBS-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN C[C@@H](C(N)=O)N1CCC2(CCC2)c2ccccc21 ZINC000216790955 342923030 /nfs/dbraw/zinc/92/30/30/342923030.db2.gz ZLPQRGFXQORDHN-NSHDSACASA-N 0 0 244.338 2.192 10 0 BEAERN O=Cc1ccc(F)c(OC(F)F)c1F ZINC000306790283 398326084 /nfs/dbraw/zinc/32/60/84/398326084.db2.gz VFIRIRPRIXETRH-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN CC[C@@](C)(O)[C@@H](O)c1occc1Br ZINC000233962779 342914865 /nfs/dbraw/zinc/91/48/65/342914865.db2.gz YCSIBYKRDRLVME-DTWKUNHWSA-N 0 0 249.104 2.237 10 0 BEAERN COC(=O)[C@H](CC(C)C)N[C@H](C)C(C)C ZINC000036980817 342915452 /nfs/dbraw/zinc/91/54/52/342915452.db2.gz UFTRVJLFQQSVBA-MNOVXSKESA-N 0 0 215.337 2.208 10 0 BEAERN N#CNCc1ccsc1Br ZINC000306671060 398325016 /nfs/dbraw/zinc/32/50/16/398325016.db2.gz YEBXMTXDRYIZPW-UHFFFAOYSA-N 0 0 217.091 2.081 10 0 BEAERN C[C@H]1CCSC(NCC(F)(F)F)=N1 ZINC000133455745 398325050 /nfs/dbraw/zinc/32/50/50/398325050.db2.gz OGFVXQVTSDBQFM-YFKPBYRVSA-N 0 0 212.240 2.020 10 0 BEAERN Cc1nnc(-c2cc(N)cc(Cl)c2)o1 ZINC000165343113 342919986 /nfs/dbraw/zinc/91/99/86/342919986.db2.gz UUJFOMNNQRFFPB-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN COCC(=O)CSCc1ccccc1 ZINC000231698484 398326571 /nfs/dbraw/zinc/32/65/71/398326571.db2.gz AHGXIQDXZRBSKR-UHFFFAOYSA-N 0 0 210.298 2.135 10 0 BEAERN Cc1nc([C@@H](NN)c2ccsc2)cs1 ZINC000157298123 344012212 /nfs/dbraw/zinc/01/22/12/344012212.db2.gz HEGJRURNKUHNAD-VIFPVBQESA-N 0 0 225.342 2.066 10 0 BEAERN O=C([O-])C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000042163198 398330871 /nfs/dbraw/zinc/33/08/71/398330871.db2.gz CPNNKMDMUJGDLG-LLVKDONJSA-N 0 0 211.305 2.258 10 0 BEAERN CC(C)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127642791 398332100 /nfs/dbraw/zinc/33/21/00/398332100.db2.gz ICLISBHHNGZIEO-JSGCOSHPSA-N 0 0 239.359 2.186 10 0 BEAERN O=c1cc[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000082014203 342938486 /nfs/dbraw/zinc/93/84/86/342938486.db2.gz OPCGEBZEEMJFJY-NSHDSACASA-N 0 0 239.274 2.288 10 0 BEAERN Cc1nc([C@H](C)NCc2cc[nH]c(=O)c2)cs1 ZINC000392750730 398335198 /nfs/dbraw/zinc/33/51/98/398335198.db2.gz IYFPZADMKZLUBC-QMMMGPOBSA-N 0 0 249.339 2.403 10 0 BEAERN COC(=O)CCC(=O)c1cc(F)c(F)c(F)c1 ZINC000062706651 346903439 /nfs/dbraw/zinc/90/34/39/346903439.db2.gz RYAPSEYJEHIGHB-UHFFFAOYSA-N 0 0 246.184 2.240 10 0 BEAERN N[C@@H]1c2cc(F)ccc2N(C2CCCC2)C1=O ZINC000019795655 342958314 /nfs/dbraw/zinc/95/83/14/342958314.db2.gz JURVBVFQBLFRLX-GFCCVEGCSA-N 0 0 234.274 2.115 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@H]2CCO)nnc1C ZINC000302492144 187206797 /nfs/dbraw/zinc/20/67/97/187206797.db2.gz ZJIGMRZNPRKIOD-NWDGAFQWSA-N 0 0 235.331 2.056 10 0 BEAERN COC(=O)CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000019885684 342961677 /nfs/dbraw/zinc/96/16/77/342961677.db2.gz LNCGLGFBGDOJBW-NSHDSACASA-N 0 0 221.300 2.127 10 0 BEAERN Cc1ccc(C)c(C[C@H]2CC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000083101284 178477243 /nfs/dbraw/zinc/47/72/43/178477243.db2.gz DSHOVBLTXWJBFI-OLZOCXBDSA-N 0 0 233.311 2.051 10 0 BEAERN Cc1nc2c(cnn2C(C)C)c(Cl)n1 ZINC000040926644 342976468 /nfs/dbraw/zinc/97/64/68/342976468.db2.gz AVNNMWXRWGHTFJ-UHFFFAOYSA-N 0 0 210.668 2.369 10 0 BEAERN C[N@@H+]1CCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000220107822 344021145 /nfs/dbraw/zinc/02/11/45/344021145.db2.gz LSHLBNZDUTUOLI-NSHDSACASA-N 0 0 205.257 2.152 10 0 BEAERN Cc1nc(Br)c2ccccn12 ZINC000020263923 342978917 /nfs/dbraw/zinc/97/89/17/342978917.db2.gz WPVHAIYEFKCIHX-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN CC(=O)OCC(=O)c1cc(C)ccc1Cl ZINC000308782617 346912428 /nfs/dbraw/zinc/91/24/28/346912428.db2.gz DIHQQVNQRHHEHP-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN N#C[C@@]1(O)CCc2cc(Br)ccc21 ZINC000260469206 349717346 /nfs/dbraw/zinc/71/73/46/349717346.db2.gz MSTHUJRDMQVJGU-JTQLQIEISA-N 0 0 238.084 2.106 10 0 BEAERN CCOC(=O)c1ccccc1-c1c[nH]cn1 ZINC000117490862 343000151 /nfs/dbraw/zinc/00/01/51/343000151.db2.gz BHVDZPDEUQLWDQ-UHFFFAOYSA-N 0 0 216.240 2.253 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[C@@H]1[NH+]1CCCCC1 ZINC000134917829 343002739 /nfs/dbraw/zinc/00/27/39/343002739.db2.gz ANAVDOVEEIHXSE-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN S=C1N=NC(CSc2ccccc2)N1 ZINC000020158993 187221836 /nfs/dbraw/zinc/22/18/36/187221836.db2.gz IECDSTZWCPTZST-UHFFFAOYSA-N 0 0 223.326 2.386 10 0 BEAERN CCOC(=O)C1CCC(COC)CC1 ZINC000260917023 349782285 /nfs/dbraw/zinc/78/22/85/349782285.db2.gz UMXZYCWVCCDVBB-UHFFFAOYSA-N 0 0 200.278 2.002 10 0 BEAERN CC(C)N(C(=O)c1cccnc1)C1CCOCC1 ZINC000121529400 187222976 /nfs/dbraw/zinc/22/29/76/187222976.db2.gz OXPWJPKUYUPOPY-UHFFFAOYSA-N 0 0 248.326 2.111 10 0 BEAERN CCN1CCC(NC(=O)c2ccccc2)=C(F)C1 ZINC000118528023 343047554 /nfs/dbraw/zinc/04/75/54/343047554.db2.gz YOPNFMKJRNFMKZ-UHFFFAOYSA-N 0 0 248.301 2.323 10 0 BEAERN O[C@@H](CNc1cc(Cl)ncn1)c1ccccc1 ZINC000048631228 343049032 /nfs/dbraw/zinc/04/90/32/343049032.db2.gz JSGXBBPPOXZKRC-JTQLQIEISA-N 0 0 249.701 2.276 10 0 BEAERN C[C@@H](NN1CCCCC1)c1nccs1 ZINC000022862992 343056288 /nfs/dbraw/zinc/05/62/88/343056288.db2.gz XZRTYLDZCBGWNY-SECBINFHSA-N 0 0 211.334 2.195 10 0 BEAERN CCOC(=O)c1nc2ccc(C)cc2nc1C ZINC000118824200 343057834 /nfs/dbraw/zinc/05/78/34/343057834.db2.gz QRWRWMHXQPCVPK-UHFFFAOYSA-N 0 0 230.267 2.423 10 0 BEAERN Cc1ncsc1-c1nnc(Br)o1 ZINC000157843219 344025923 /nfs/dbraw/zinc/02/59/23/344025923.db2.gz RIIHSPDLANDCRJ-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN Brc1nnc(-c2ccco2)o1 ZINC000071519198 362006355 /nfs/dbraw/zinc/00/63/55/362006355.db2.gz MOFRVFPTUOCYTE-UHFFFAOYSA-N 0 0 215.006 2.092 10 0 BEAERN Cc1ccc(C)c(OCCn2ccc(N)n2)c1 ZINC000071378808 178490535 /nfs/dbraw/zinc/49/05/35/178490535.db2.gz WCIJCQGGNGXGPP-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN CC(C)(C)OC(=O)c1c(N)oc2cccnc21 ZINC000584880243 343080816 /nfs/dbraw/zinc/08/08/16/343080816.db2.gz ITBFYQRUSKPXRQ-UHFFFAOYSA-N 0 0 234.255 2.365 10 0 BEAERN Nc1ccc(-c2cc(C=O)ccc2F)cn1 ZINC000584880600 343081094 /nfs/dbraw/zinc/08/10/94/343081094.db2.gz IWMYTTBGFFVCEB-UHFFFAOYSA-N 0 0 216.215 2.113 10 0 BEAERN CNc1cnn(C)c(=O)c1-c1ccc(Cl)cc1 ZINC000584880500 343081181 /nfs/dbraw/zinc/08/11/81/343081181.db2.gz AYIBBZCAQLFQLU-UHFFFAOYSA-N 0 0 249.701 2.142 10 0 BEAERN Nc1ccc(-c2cccc(C=O)c2F)cn1 ZINC000584880493 343081345 /nfs/dbraw/zinc/08/13/45/343081345.db2.gz ANAHKJNZDQWKGA-UHFFFAOYSA-N 0 0 216.215 2.113 10 0 BEAERN CNc1c(N)cnc2c(OC)cc(C)cc21 ZINC000584882850 343085626 /nfs/dbraw/zinc/08/56/26/343085626.db2.gz WSCHIGFDPWFHQM-UHFFFAOYSA-N 0 0 217.272 2.176 10 0 BEAERN CCNc1c(N)cnc2c(F)ccc(Cl)c21 ZINC000584882734 343085637 /nfs/dbraw/zinc/08/56/37/343085637.db2.gz OBOIUERXHABWJR-UHFFFAOYSA-N 0 0 239.681 2.463 10 0 BEAERN CC(C)[C@H](O)[C@@H](O)c1ccccc1Cl ZINC000113391891 365706838 /nfs/dbraw/zinc/70/68/38/365706838.db2.gz UNKVUTTUFVDMRK-QWRGUYRKSA-N 0 0 214.692 2.390 10 0 BEAERN NC(=O)c1cc(C(F)(F)F)cc(F)c1F ZINC000144455414 362034358 /nfs/dbraw/zinc/03/43/58/362034358.db2.gz QWRIQIRFQGFHGL-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN CCOC(=O)Cc1nc(C2CC2)cs1 ZINC000068906748 343074570 /nfs/dbraw/zinc/07/45/70/343074570.db2.gz IYQXYSFQURNDKN-UHFFFAOYSA-N 0 0 211.286 2.126 10 0 BEAERN c1ccc(CCn2nnc3cnccc32)cc1 ZINC000013282577 343076542 /nfs/dbraw/zinc/07/65/42/343076542.db2.gz LKNADSOUEMRUST-UHFFFAOYSA-N 0 0 224.267 2.069 10 0 BEAERN CC(=O)c1csc(NC(=O)C2CC(C)C2)n1 ZINC000084775677 343076981 /nfs/dbraw/zinc/07/69/81/343076981.db2.gz LHDQDNMBVNSXDX-UHFFFAOYSA-N 0 0 238.312 2.330 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1NC(=O)n1ccnc1 ZINC000042581644 362010358 /nfs/dbraw/zinc/01/03/58/362010358.db2.gz GHFGWGXUVDBEDS-MNOVXSKESA-N 0 0 221.304 2.410 10 0 BEAERN C[C@@H](O)CNc1ccc(Cl)c(F)c1 ZINC000042580018 362010429 /nfs/dbraw/zinc/01/04/29/362010429.db2.gz KKLYENAASITZCV-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN CCn1cc([C@H](O)c2cccs2)cn1 ZINC000043468338 343077867 /nfs/dbraw/zinc/07/78/67/343077867.db2.gz WNQZRTYWAWKLQQ-JTQLQIEISA-N 0 0 208.286 2.046 10 0 BEAERN CCOC(=O)CCCCO[C@H]1CCCCO1 ZINC000043503671 343100420 /nfs/dbraw/zinc/10/04/20/343100420.db2.gz SMCMIBRXVPZUNM-GFCCVEGCSA-N 0 0 230.304 2.263 10 0 BEAERN c1cn(CC2=CCCc3ncccc32)cn1 ZINC000013808186 343104378 /nfs/dbraw/zinc/10/43/78/343104378.db2.gz DVAOHPCQHIOCSM-UHFFFAOYSA-N 0 0 211.268 2.308 10 0 in-vivo BEAERN C[C@@H](C(=O)N1CC[C@@H](O)C[C@H]1C)C(C)(C)C ZINC000640803481 362051791 /nfs/dbraw/zinc/05/17/91/362051791.db2.gz WQWOHOWZAJQAOM-OUAUKWLOSA-N 0 0 227.348 2.040 10 0 BEAERN CC1(C)C[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000259389284 343107562 /nfs/dbraw/zinc/10/75/62/343107562.db2.gz LPJQJQDQBAFSQW-GFCCVEGCSA-N 0 0 233.311 2.372 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)C(C)(C)C1CCC1 ZINC000640805606 362053906 /nfs/dbraw/zinc/05/39/06/362053906.db2.gz QAHRAMHYWVLAEL-ZYHUDNBSSA-N 0 0 239.359 2.185 10 0 BEAERN CC(C)N(C(=O)CCc1ccnn1C)C1CCC1 ZINC000125905491 187232200 /nfs/dbraw/zinc/23/22/00/187232200.db2.gz ACDGDZRAIFFZLR-UHFFFAOYSA-N 0 0 249.358 2.142 10 0 BEAERN CC(C)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126383051 187232632 /nfs/dbraw/zinc/23/26/32/187232632.db2.gz OLLNEEBZVQSDRV-CYBMUJFWSA-N 0 0 221.300 2.174 10 0 BEAERN Nc1ccc2cc(C3OCCCO3)ccc2n1 ZINC000013584281 343095921 /nfs/dbraw/zinc/09/59/21/343095921.db2.gz QTYSUHTYOLPZNR-UHFFFAOYSA-N 0 0 230.267 2.253 10 0 BEAERN CSc1ccc(-c2nonc2N)cc1 ZINC000075614347 187233545 /nfs/dbraw/zinc/23/35/45/187233545.db2.gz OMHFYESLOWUUBX-UHFFFAOYSA-N 0 0 207.258 2.041 10 0 BEAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000092925683 343148430 /nfs/dbraw/zinc/14/84/30/343148430.db2.gz CEKLZWZHAAEGEI-WXHSDQCUSA-N 0 0 245.322 2.121 10 0 BEAERN CSc1nc(-c2ccccc2)nn1C ZINC000028760679 343132235 /nfs/dbraw/zinc/13/22/35/343132235.db2.gz WUJXPLXQMNCTSV-UHFFFAOYSA-N 0 0 205.286 2.204 10 0 BEAERN CN(CC(F)(F)F)c1nccnc1Cl ZINC000043537864 343133177 /nfs/dbraw/zinc/13/31/77/343133177.db2.gz FWPVJBUPGSUMJM-UHFFFAOYSA-N 0 0 225.601 2.129 10 0 BEAERN Cc1ccc(C)c([C@@H]2C=CS(=O)(=O)C2)c1 ZINC000040173780 178498868 /nfs/dbraw/zinc/49/88/68/178498868.db2.gz XDZVBGAUQPLSNL-LLVKDONJSA-N 0 0 222.309 2.329 10 0 BEAERN O=c1ncc(-c2cc(F)cc(Cl)c2)c[nH]1 ZINC000065344693 343138322 /nfs/dbraw/zinc/13/83/22/343138322.db2.gz RQQWKABIQWIHFH-UHFFFAOYSA-N 0 0 224.622 2.229 10 0 BEAERN N#Cc1cc(F)c([N+](=O)[O-])c(Cl)c1 ZINC000144799210 343139816 /nfs/dbraw/zinc/13/98/16/343139816.db2.gz PNMZVEHEOIYSLE-UHFFFAOYSA-N 0 0 200.556 2.259 10 0 BEAERN CN(C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000169967238 136270096 /nfs/dbraw/zinc/27/00/96/136270096.db2.gz QPSYYBITVFFAMA-UHFFFAOYSA-N 0 0 230.311 2.457 10 0 BEAERN C/C=C/COc1c(C=O)cccc1OC ZINC000035412847 343142958 /nfs/dbraw/zinc/14/29/58/343142958.db2.gz IWGTXZWBNMIQTP-ONEGZZNKSA-N 0 0 206.241 2.463 10 0 BEAERN CCC[C@@H]1CCc2[nH]c(=NN)sc2C1 ZINC000043559991 343144305 /nfs/dbraw/zinc/14/43/05/343144305.db2.gz HMAGFHNOEYBJPW-SSDOTTSWSA-N 0 0 211.334 2.334 10 0 BEAERN Cc1ccsc1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000295974831 187241844 /nfs/dbraw/zinc/24/18/44/187241844.db2.gz IIDBLQTZLVAQEA-VHSXEESVSA-N 0 0 239.340 2.042 10 0 BEAERN CC(=O)Nc1cc(N)cc(-c2nccs2)c1 ZINC000145322246 343159008 /nfs/dbraw/zinc/15/90/08/343159008.db2.gz OIDHIQKMXQZATD-UHFFFAOYSA-N 0 0 233.296 2.351 10 0 BEAERN C[C@@H](NC(=O)Cc1cccc(N)c1)C(C)(C)C ZINC000122300972 343159031 /nfs/dbraw/zinc/15/90/31/343159031.db2.gz NEWHKRAGLKRZIC-SNVBAGLBSA-N 0 0 234.343 2.362 10 0 BEAERN CC(=O)O[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000001598352 187242321 /nfs/dbraw/zinc/24/23/21/187242321.db2.gz WPDTWMWIRBCOSB-VIFPVBQESA-N 0 0 236.267 2.300 10 0 BEAERN CC(C)([NH3+])c1ccc(O)c(Br)c1 ZINC000083071112 187242647 /nfs/dbraw/zinc/24/26/47/187242647.db2.gz GGCWPKGPJUEEAM-UHFFFAOYSA-N 0 0 230.105 2.349 10 0 BEAERN Fc1cc2c(cc1Br)OCCN2 ZINC000159129225 343201977 /nfs/dbraw/zinc/20/19/77/343201977.db2.gz HSTYCKSGBYAAAQ-UHFFFAOYSA-N 0 0 232.052 2.393 10 0 BEAERN CCc1ccc(OCCC(N)=S)cc1 ZINC000005592772 187247574 /nfs/dbraw/zinc/24/75/74/187247574.db2.gz PNYMONVUSMKGRK-UHFFFAOYSA-N 0 0 209.314 2.304 10 0 BEAERN CC(=O)[C@H](Cn1nnc2ccccc21)C(C)C ZINC000005284868 187247966 /nfs/dbraw/zinc/24/79/66/187247966.db2.gz QIAUSPRJAPQPAV-LLVKDONJSA-N 0 0 231.299 2.293 10 0 BEAERN C[C@@H](NC(=O)c1cccc(N)c1)C(C)(C)C ZINC000133452430 343190929 /nfs/dbraw/zinc/19/09/29/343190929.db2.gz SEPKQBVTKNWKQM-SECBINFHSA-N 0 0 220.316 2.433 10 0 BEAERN Cc1cc(CO)cnc1OCCC(F)(F)F ZINC000145539556 343193927 /nfs/dbraw/zinc/19/39/27/343193927.db2.gz SKHXTRRLTFINLY-UHFFFAOYSA-N 0 0 235.205 2.214 10 0 BEAERN Cc1cc(NN)c2ccc(C(F)(F)F)cc2n1 ZINC000032099459 343229562 /nfs/dbraw/zinc/22/95/62/343229562.db2.gz GJQSZMGVZJSGML-UHFFFAOYSA-N 0 0 241.216 2.270 10 0 BEAERN C[C@@]1([C@H](NN)C2CCCC2)CCCS1 ZINC000127127810 343233359 /nfs/dbraw/zinc/23/33/59/343233359.db2.gz IXICWNWGFOEUJH-MNOVXSKESA-N 0 0 214.378 2.294 10 0 BEAERN CC(=O)Nc1cccc([Si](C)(C)C)c1 ZINC000238089883 343239887 /nfs/dbraw/zinc/23/98/87/343239887.db2.gz UQRALSVKZBPQNX-UHFFFAOYSA-N 0 0 207.349 2.190 10 0 BEAERN CC(=O)O[C@@H](C)CC(=O)c1ccccc1 ZINC000036438762 187249643 /nfs/dbraw/zinc/24/96/43/187249643.db2.gz MPODLFKNAJBQES-VIFPVBQESA-N 0 0 206.241 2.211 10 0 BEAERN COc1nnc(Cl)cc1COC(C)(C)C ZINC000217048847 343247494 /nfs/dbraw/zinc/24/74/94/343247494.db2.gz QHPYPRCSVJNSCK-UHFFFAOYSA-N 0 0 230.695 2.454 10 0 BEAERN CC(=O)c1cc2c(C)nn(C)c2cc1C ZINC000238169166 343251208 /nfs/dbraw/zinc/25/12/08/343251208.db2.gz IKBOCBVNELHHEI-UHFFFAOYSA-N 0 0 202.257 2.393 10 0 BEAERN CC[C@H](C)[C@H](O)C1(O)CCCCCC1 ZINC000234019282 343252983 /nfs/dbraw/zinc/25/29/83/343252983.db2.gz HLSXLVOVXPRQJV-QWRGUYRKSA-N 0 0 200.322 2.479 10 0 BEAERN C=CCc1ccccc1O[C@H](CC)C(N)=O ZINC000238290627 343253904 /nfs/dbraw/zinc/25/39/04/343253904.db2.gz KJZGROTVBPVYSS-LLVKDONJSA-N 0 0 219.284 2.058 10 0 BEAERN CC(=O)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000019410212 187252200 /nfs/dbraw/zinc/25/22/00/187252200.db2.gz BNTLVMZBBRJFDI-UHFFFAOYSA-N 0 0 231.295 2.157 10 0 BEAERN O=C[C@H]1O[C@@H]1c1ccc(Br)cc1 ZINC000210353969 343261537 /nfs/dbraw/zinc/26/15/37/343261537.db2.gz LKFCZKMAPOCTLK-RKDXNWHRSA-N 0 0 227.057 2.088 10 0 BEAERN CC(C)(C)OC(=O)Nc1cccnc1N ZINC000034077472 343264236 /nfs/dbraw/zinc/26/42/36/343264236.db2.gz SXUNEZVLKFWFPF-UHFFFAOYSA-N 0 0 209.249 2.011 10 0 BEAERN NC(=S)c1cccc(OCc2cccnc2)c1 ZINC000019519703 187253009 /nfs/dbraw/zinc/25/30/09/187253009.db2.gz XTZLDNADSIFMDI-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN O=c1[nH]c(-c2ccc(F)cc2F)cs1 ZINC000034669934 343276930 /nfs/dbraw/zinc/27/69/30/343276930.db2.gz QRSYGHMXXVCVJM-UHFFFAOYSA-N 0 0 213.208 2.382 10 0 BEAERN CC(=O)Nc1cc(Cl)cc(Cl)n1 ZINC000013349867 362152315 /nfs/dbraw/zinc/15/23/15/362152315.db2.gz ISGYFOCMRWNACQ-UHFFFAOYSA-N 0 0 205.044 2.347 10 0 BEAERN C[C@@H](NC(=O)NC[C@]1(C)CCCO1)C(C)(C)C ZINC000122297882 343319478 /nfs/dbraw/zinc/31/94/78/343319478.db2.gz WKUNTMGLORIUSA-MFKMUULPSA-N 0 0 242.363 2.289 10 0 BEAERN NCC(F)(F)c1ccc2ccccc2n1 ZINC000147087874 343321035 /nfs/dbraw/zinc/32/10/35/343321035.db2.gz ZZPAGRSCFBYMGL-UHFFFAOYSA-N 0 0 208.211 2.285 10 0 BEAERN COC(=O)c1cnc(OC(F)(F)F)cc1C ZINC000309360598 343324521 /nfs/dbraw/zinc/32/45/21/343324521.db2.gz KUZJJAQXIHPQHF-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CCc1cccc(C)c1NC(=O)CC(N)=S ZINC000020433082 187254190 /nfs/dbraw/zinc/25/41/90/187254190.db2.gz IGTSMIXNEYJINS-UHFFFAOYSA-N 0 0 236.340 2.172 10 0 BEAERN Cn1ccnc1CN[C@H]1CCc2ccccc21 ZINC000036878820 343326384 /nfs/dbraw/zinc/32/63/84/343326384.db2.gz XGEABACVOSBNNO-ZDUSSCGKSA-N 0 0 227.311 2.197 10 0 BEAERN Clc1ccc2nnc(C3CCCC3)n2n1 ZINC000036903740 343327051 /nfs/dbraw/zinc/32/70/51/343327051.db2.gz XWTSXPYGTBZXFK-UHFFFAOYSA-N 0 0 222.679 2.435 10 0 BEAERN CCC1C(C)=NC(=O)N[C@@H]1c1ccco1 ZINC000039101097 187254583 /nfs/dbraw/zinc/25/45/83/187254583.db2.gz KMFKGRCTXWSDNF-JTQLQIEISA-N 0 0 206.245 2.318 10 0 BEAERN Cc1csc(CN[C@@H](C)c2cc[nH]n2)n1 ZINC000038091158 187255014 /nfs/dbraw/zinc/25/50/14/187255014.db2.gz HMEVEQLKBGQPEG-QMMMGPOBSA-N 0 0 222.317 2.025 10 0 BEAERN C/C=C/C(=O)Nc1cccc(Br)n1 ZINC000035678705 343301920 /nfs/dbraw/zinc/30/19/20/343301920.db2.gz FVIFXAMIOQJJHT-DUXPYHPUSA-N 0 0 241.088 2.359 10 0 BEAERN Cc1nc(Cc2noc(Cl)n2)cs1 ZINC000055296374 343305146 /nfs/dbraw/zinc/30/51/46/343305146.db2.gz SNFJUDOYBSQTCC-UHFFFAOYSA-N 0 0 215.665 2.079 10 0 BEAERN Cc1c2cc(F)ccc2oc1C(=N)NO ZINC000038817386 343379202 /nfs/dbraw/zinc/37/92/02/343379202.db2.gz OIDAHYUPZPGCOW-UHFFFAOYSA-N 0 0 208.192 2.184 10 0 BEAERN CC(=O)[C@H](C)n1c(C)nc2ccccc21 ZINC000034980570 187257300 /nfs/dbraw/zinc/25/73/00/187257300.db2.gz KLEJDJPAORWGKQ-QMMMGPOBSA-N 0 0 202.257 2.495 10 0 BEAERN C[C@@H](CO)Nc1ccc(Br)cc1 ZINC000038118091 343371748 /nfs/dbraw/zinc/37/17/48/343371748.db2.gz QPEKLNCKBRESKU-ZETCQYMHSA-N 0 0 230.105 2.242 10 0 BEAERN CC(=O)Nc1cc(C)ncc1Br ZINC000038540942 343376860 /nfs/dbraw/zinc/37/68/60/343376860.db2.gz OMGSODSTISOTIL-UHFFFAOYSA-N 0 0 229.077 2.111 10 0 BEAERN C[C@@H]1CCc2nc(N)nc(C(F)(F)F)c2C1 ZINC000309371150 343346758 /nfs/dbraw/zinc/34/67/58/343346758.db2.gz DZTNVHSOVLQLFU-RXMQYKEDSA-N 0 0 231.221 2.202 10 0 BEAERN CCCC(=O)OC1=NOc2ccccc2N1 ZINC000071791793 343348790 /nfs/dbraw/zinc/34/87/90/343348790.db2.gz SMXVXFIMFRIZCT-UHFFFAOYSA-N 0 0 220.228 2.105 10 0 BEAERN Cc1cnn(-c2ccc([C@@H](C)O)cc2F)c1 ZINC000037677497 343350747 /nfs/dbraw/zinc/35/07/47/343350747.db2.gz IHCUUOFFMDGDTN-SECBINFHSA-N 0 0 220.247 2.373 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2N1 ZINC000037729917 343353136 /nfs/dbraw/zinc/35/31/36/343353136.db2.gz BWLRZKYMVHFPLH-NSHDSACASA-N 0 0 219.284 2.365 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc(F)c(N)c1 ZINC000035279822 187257948 /nfs/dbraw/zinc/25/79/48/187257948.db2.gz INXAFFSSULKNRW-QMMMGPOBSA-N 0 0 224.279 2.182 10 0 BEAERN O=C(c1snnc1C1CC1)N1C[C@@H]2CCC[C@H]21 ZINC000335674658 136317948 /nfs/dbraw/zinc/31/79/48/136317948.db2.gz WNSNTTGKYVKXDS-DTWKUNHWSA-N 0 0 249.339 2.040 10 0 BEAERN S=c1[nH]nc(-c2ccc3ccccc3n2)[nH]1 ZINC000036489312 187258818 /nfs/dbraw/zinc/25/88/18/187258818.db2.gz AKINDDHAJPJRIZ-UHFFFAOYSA-N 0 0 228.280 2.309 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N[C@@H](C)c1ccco1 ZINC000036163480 187259342 /nfs/dbraw/zinc/25/93/42/187259342.db2.gz XNBXVEGBPKSGEM-ZETCQYMHSA-N 0 0 233.271 2.111 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOCC12CCC2 ZINC000335672219 136313673 /nfs/dbraw/zinc/31/36/73/136313673.db2.gz GKLLCZWPJVJRMW-VXGBXAGGSA-N 0 0 237.343 2.204 10 0 BEAERN CCOc1ncncc1Cc1ccccc1 ZINC000039100074 343383662 /nfs/dbraw/zinc/38/36/62/343383662.db2.gz SLMBCVALPOEJFQ-UHFFFAOYSA-N 0 0 214.268 2.466 10 0 BEAERN CC[C@@H]1C(=O)Nc2cc(C(C)(C)C)nn21 ZINC000039101201 343384075 /nfs/dbraw/zinc/38/40/75/343384075.db2.gz YHWLFLJLNASPAH-SSDOTTSWSA-N 0 0 207.277 2.084 10 0 BEAERN CN1CCSC[C@H]1C(=O)C1CCCCC1 ZINC000234343759 343422257 /nfs/dbraw/zinc/42/22/57/343422257.db2.gz GEIHFWCAFQKUSC-NSHDSACASA-N 0 0 227.373 2.183 10 0 BEAERN CC[C@H]1C=CCCN1NC(=O)c1ccccc1 ZINC000039102975 343384541 /nfs/dbraw/zinc/38/45/41/343384541.db2.gz HSWWKXYJAGUVNE-ZDUSSCGKSA-N 0 0 230.311 2.372 10 0 BEAERN Cc1ccc([C@H]2CCCC[C@H]2NN)cc1 ZINC000039105297 343384899 /nfs/dbraw/zinc/38/48/99/343384899.db2.gz VODLXSPDSHACNX-CHWSQXEVSA-N 0 0 204.317 2.485 10 0 BEAERN Cc1ccc2oc(S[C@H](C)C(N)=O)nc2c1 ZINC000113777825 136323051 /nfs/dbraw/zinc/32/30/51/136323051.db2.gz KJKQTXUMWJIFSW-SSDOTTSWSA-N 0 0 236.296 2.102 10 0 BEAERN Cc1cncc(-c2c(N)cccc2O)c1 ZINC000039117567 343385315 /nfs/dbraw/zinc/38/53/15/343385315.db2.gz FAHUCGLUXNAXSP-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN CCOC(=O)c1c(C)nc2sccc2c1N ZINC000148070297 343388164 /nfs/dbraw/zinc/38/81/64/343388164.db2.gz SCMXHNXOIBRFQF-UHFFFAOYSA-N 0 0 236.296 2.364 10 0 BEAERN CC[C@@H](CC[C@@H]1CCCO1)OC(C)=O ZINC000039366101 343389619 /nfs/dbraw/zinc/38/96/19/343389619.db2.gz QIVAMLXUNDMINC-QWRGUYRKSA-N 0 0 200.278 2.287 10 0 BEAERN CC(=O)c1ccc2c(c1)CCN2C1=NCCC1 ZINC000148404140 343391760 /nfs/dbraw/zinc/39/17/60/343391760.db2.gz QCMIQMVXNPUEAZ-UHFFFAOYSA-N 0 0 228.295 2.444 10 0 BEAERN CCCCn1ncc2c1ncnc2Cl ZINC000040930611 343411292 /nfs/dbraw/zinc/41/12/92/343411292.db2.gz YJGFRPAJDNGTJU-UHFFFAOYSA-N 0 0 210.668 2.280 10 0 BEAERN C[C@@H](CC(N)=O)c1ccc(Br)cc1 ZINC000041286252 343418632 /nfs/dbraw/zinc/41/86/32/343418632.db2.gz VRPMKKZTRHKBKE-ZETCQYMHSA-N 0 0 242.116 2.428 10 0 BEAERN CNc1cc(Cl)c(C#N)cc1[N+](=O)[O-] ZINC000149038888 343419921 /nfs/dbraw/zinc/41/99/21/343419921.db2.gz LWDAMUOARRPCLS-UHFFFAOYSA-N 0 0 211.608 2.162 10 0 BEAERN Cc1cc2c(ccnc2NCC[C@@H](C)O)o1 ZINC000166664703 136363060 /nfs/dbraw/zinc/36/30/60/136363060.db2.gz FYGWRGLJTAXGSK-MRVPVSSYSA-N 0 0 220.272 2.319 10 0 BEAERN Clc1nsnc1NC[C@@H]1CCCCO1 ZINC000042826706 343454829 /nfs/dbraw/zinc/45/48/29/343454829.db2.gz RIWGAFDXQOZDSX-LURJTMIESA-N 0 0 233.724 2.173 10 0 BEAERN CCCNc1nnc(Br)s1 ZINC000060311798 343479146 /nfs/dbraw/zinc/47/91/46/343479146.db2.gz UOWRHVVPUQBRAS-UHFFFAOYSA-N 0 0 222.111 2.123 10 0 BEAERN Cc1cccnc1-c1ncc(C=O)s1 ZINC000043616959 343479989 /nfs/dbraw/zinc/47/99/89/343479989.db2.gz LTEKKUSLYYJZMR-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)nc1C ZINC000309456841 343483736 /nfs/dbraw/zinc/48/37/36/343483736.db2.gz PTFFXTOPSCNNCW-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CCc1nsc(NCC[C@@H]2CCCO2)n1 ZINC000083653924 343494648 /nfs/dbraw/zinc/49/46/48/343494648.db2.gz SZNWWLODLYFQGI-QMMMGPOBSA-N 0 0 227.333 2.082 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000234145686 343465417 /nfs/dbraw/zinc/46/54/17/343465417.db2.gz ZJPHFWQLTUVDKE-WHFBIAKZSA-N 0 0 233.102 2.389 10 0 BEAERN CCn1nc(C2CC2)c2sccc2c1=O ZINC000039102197 187262961 /nfs/dbraw/zinc/26/29/61/187262961.db2.gz CDUAFEGHEPJPDJ-UHFFFAOYSA-N 0 0 220.297 2.355 10 0 BEAERN CCOC(=O)N1CCC(c2cocn2)CC1 ZINC000616619697 343523216 /nfs/dbraw/zinc/52/32/16/343523216.db2.gz WTSFYEVWPVRGCZ-UHFFFAOYSA-N 0 0 224.260 2.011 10 0 BEAERN CC(C)C[C@H](O)c1ccc2c(c1)CC(=O)N2 ZINC000040255189 187263270 /nfs/dbraw/zinc/26/32/70/187263270.db2.gz NGQZDQHUWYMJDU-LBPRGKRZSA-N 0 0 219.284 2.261 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616628935 343526018 /nfs/dbraw/zinc/52/60/18/343526018.db2.gz RIGCJYHDWQXWQE-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN CCOc1nc2cc(N)c(F)cc2s1 ZINC000045235698 343526290 /nfs/dbraw/zinc/52/62/90/343526290.db2.gz RFISUZUZCGHJKL-UHFFFAOYSA-N 0 0 212.249 2.416 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2cccc(N)c2)C1 ZINC000616631205 343527209 /nfs/dbraw/zinc/52/72/09/343527209.db2.gz ZAMSMJODBWUYGS-CYBMUJFWSA-N 0 0 232.327 2.385 10 0 BEAERN CSCC(=O)NCc1ccc(C)cc1C ZINC000045416321 343529484 /nfs/dbraw/zinc/52/94/84/343529484.db2.gz IQMWASSTFZFLIW-UHFFFAOYSA-N 0 0 223.341 2.283 10 0 BEAERN CC(C)[N@@H+]1CCO[C@@H](c2ccccc2CCO)C1 ZINC000616645531 343530558 /nfs/dbraw/zinc/53/05/58/343530558.db2.gz RHQRJBDSUZOERL-OAHLLOKOSA-N 0 0 249.354 2.003 10 0 BEAERN CC(C)(C)N1CCOCC[C@H]1C(F)(F)F ZINC000616655850 343532036 /nfs/dbraw/zinc/53/20/36/343532036.db2.gz FTOHLWQSSHZBCQ-QMMMGPOBSA-N 0 0 225.254 2.438 10 0 BEAERN CC(=O)N[C@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616672335 343534854 /nfs/dbraw/zinc/53/48/54/343534854.db2.gz IMDULCKTAXNEKE-ZDUSSCGKSA-N 0 0 246.354 2.352 10 0 BEAERN COc1ccccc1C[C@H](C)N(C)N(C)C ZINC000019167764 343554327 /nfs/dbraw/zinc/55/43/27/343554327.db2.gz RTUPOJMYINSHHS-NSHDSACASA-N 0 0 222.332 2.035 10 0 BEAERN CNc1ncnc(Nc2cc(C)cc(C)c2)c1N ZINC000040681762 187264393 /nfs/dbraw/zinc/26/43/93/187264393.db2.gz VBQTXJKVCKVXOZ-UHFFFAOYSA-N 0 0 243.314 2.461 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NC1CCC2(CC2)CC1 ZINC000335863464 344034967 /nfs/dbraw/zinc/03/49/67/344034967.db2.gz QCJSRZITBHKKKE-ONGXEEELSA-N 0 0 222.332 2.417 10 0 BEAERN CC(C)Oc1ccc(NC(=O)CCCO)cc1 ZINC000041278445 187265199 /nfs/dbraw/zinc/26/51/99/187265199.db2.gz WPFMPZFXSPXHAY-UHFFFAOYSA-N 0 0 237.299 2.185 10 0 BEAERN CCN(C)c1ccc(N)cc1Br ZINC000043596820 187266873 /nfs/dbraw/zinc/26/68/73/187266873.db2.gz DVHWNILEFBUIJG-UHFFFAOYSA-N 0 0 229.121 2.487 10 0 BEAERN Cc1ccc(CN(C)c2ncccc2N)o1 ZINC000035699246 178557366 /nfs/dbraw/zinc/55/73/66/178557366.db2.gz AYYDTWHIRDVPKK-UHFFFAOYSA-N 0 0 217.272 2.202 10 0 BEAERN CN[C@@H](C)c1nscc1Br ZINC000404746029 343600509 /nfs/dbraw/zinc/60/05/09/343600509.db2.gz SMNSCGXLMJUNJN-BYPYZUCNSA-N 0 0 221.123 2.186 10 0 BEAERN C[C@@H]1CC(CNC(=O)c2ccco2)C[C@@H](C)O1 ZINC000281394756 187343265 /nfs/dbraw/zinc/34/32/65/187343265.db2.gz VRMUBBTXDXUJCG-NXEZZACHSA-N 0 0 237.299 2.213 10 0 BEAERN Cc1cc(N)n(Cc2cccc(C)c2C)n1 ZINC000043664861 187268014 /nfs/dbraw/zinc/26/80/14/187268014.db2.gz UEFZMNHWMQXVIG-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN CC[C@H](O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000036099410 343636020 /nfs/dbraw/zinc/63/60/20/343636020.db2.gz PLAOBQVNCROFAE-LBPRGKRZSA-N 0 0 225.357 2.483 10 0 BEAERN CCC(C)(C)Cn1cc(N)c(C)cc1=O ZINC000713208869 537797396 /nfs/dbraw/zinc/79/73/96/537797396.db2.gz URZBADDJAWQHHH-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN CCc1csc([C@H]2CSCCN2C)n1 ZINC000234198705 343647716 /nfs/dbraw/zinc/64/77/16/343647716.db2.gz WEXBRRBDGAEHAD-SECBINFHSA-N 0 0 228.386 2.425 10 0 BEAERN O[C@@H](CNc1ccnc(Cl)n1)c1ccccc1 ZINC000051849502 343629214 /nfs/dbraw/zinc/62/92/14/343629214.db2.gz RVBLEKGKZIGVJT-JTQLQIEISA-N 0 0 249.701 2.276 10 0 BEAERN C[C@@H]1Oc2c(cccc2Br)C1=O ZINC000043633175 343631865 /nfs/dbraw/zinc/63/18/65/343631865.db2.gz NDPBHHSUJKWFOK-YFKPBYRVSA-N 0 0 227.057 2.413 10 0 BEAERN Clc1nc(-c2ccccc2)nc2ccnn21 ZINC000044857662 187268504 /nfs/dbraw/zinc/26/85/04/187268504.db2.gz DUHQSSLTGYPSQC-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000379926470 343655570 /nfs/dbraw/zinc/65/55/70/343655570.db2.gz LQYDGQPLLUXVCA-NKWVEPMBSA-N 0 0 228.273 2.246 10 0 BEAERN FC(F)(F)c1c[nH]c(NCC2(F)CC2)n1 ZINC000379971491 343662357 /nfs/dbraw/zinc/66/23/57/343662357.db2.gz BLQLBHBPFOHMIN-UHFFFAOYSA-N 0 0 223.173 2.343 10 0 BEAERN CC(=O)N(C)c1nc2ccc(F)cc2s1 ZINC000045238214 187269559 /nfs/dbraw/zinc/26/95/59/187269559.db2.gz BLZSPYIKOKDRTL-UHFFFAOYSA-N 0 0 224.260 2.418 10 0 BEAERN CC(C)C[C@@H](N)C(=O)OCc1ccc(F)cc1 ZINC000049829689 187269948 /nfs/dbraw/zinc/26/99/48/187269948.db2.gz VDBFMXOQJZAFIB-GFCCVEGCSA-N 0 0 239.290 2.242 10 0 BEAERN CC(C)(C)Oc1nc(Cl)nc(Cl)n1 ZINC000059189672 343706215 /nfs/dbraw/zinc/70/62/15/343706215.db2.gz BLBGTABTWVDDFN-UHFFFAOYSA-N 0 0 222.075 2.356 10 0 BEAERN C[C@@H]1SCC[C@]1(O)Cc1ccccc1 ZINC000107149899 343706715 /nfs/dbraw/zinc/70/67/15/343706715.db2.gz DUXWLRMHMNZCFH-JQWIXIFHSA-N 0 0 208.326 2.486 10 0 BEAERN C[C@@H](O)c1cccc(I)c1 ZINC000059275178 343707653 /nfs/dbraw/zinc/70/76/53/343707653.db2.gz LYJBCPWDFZXLNE-ZCFIWIBFSA-N 0 0 248.063 2.345 10 0 BEAERN Cc1oncc1C(=O)Nc1ccccc1[C@@H](C)O ZINC000049549697 187270571 /nfs/dbraw/zinc/27/05/71/187270571.db2.gz XLONMNJOJFDOBT-MRVPVSSYSA-N 0 0 246.266 2.289 10 0 BEAERN COc1ccc([C@@]2(C)CCC(=O)O2)c(OC)c1 ZINC000049828022 187270589 /nfs/dbraw/zinc/27/05/89/187270589.db2.gz SJNGPANFXWHYJR-CYBMUJFWSA-N 0 0 236.267 2.256 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@H](C)[C@H](C)C2 ZINC000300033229 537802504 /nfs/dbraw/zinc/80/25/04/537802504.db2.gz WYEHYWGPUYUNIV-OEIWMXHLSA-N 0 0 232.707 2.320 10 0 BEAERN COCc1cc(=O)[nH]c(-c2ccc(C)cc2C)n1 ZINC000051700216 187271130 /nfs/dbraw/zinc/27/11/30/187271130.db2.gz NJBKAHJYYHSWET-UHFFFAOYSA-N 0 0 244.294 2.200 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(CC(C)(C)C)no1 ZINC000082675251 133504555 /nfs/dbraw/zinc/50/45/55/133504555.db2.gz OHXNCJNBOGTBEX-VIFPVBQESA-N 0 0 226.320 2.218 10 0 BEAERN CNc1ncccc1CSc1nnc(C)o1 ZINC000052756640 187271490 /nfs/dbraw/zinc/27/14/90/187271490.db2.gz DGHVZJHTIQYEOT-UHFFFAOYSA-N 0 0 236.300 2.107 10 0 BEAERN COC(=O)c1cc(Cl)cc2sc(N)nc21 ZINC000006792879 349852093 /nfs/dbraw/zinc/85/20/93/349852093.db2.gz BMLKUJDKRBSLQO-UHFFFAOYSA-N 0 0 242.687 2.319 10 0 BEAERN C[N@@H+]1CCC[C@@H](CNc2cccc(C(=O)[O-])c2)C1 ZINC000054240612 187272120 /nfs/dbraw/zinc/27/21/20/187272120.db2.gz LIHXYCIRDPKQDK-NSHDSACASA-N 0 0 248.326 2.139 10 0 BEAERN CCOC(=O)C1=C(O)CC[C@@H](C(C)C)C1 ZINC000054556965 187272437 /nfs/dbraw/zinc/27/24/37/187272437.db2.gz BSEGZDIJFOLZPJ-ZJUUUORDSA-N 0 0 212.289 2.191 10 0 BEAERN COC(=O)N1CCCC[C@@H]1OC(F)(F)F ZINC000616613452 349858364 /nfs/dbraw/zinc/85/83/64/349858364.db2.gz ZDENUNKZHHXNKR-LURJTMIESA-N 0 0 227.182 2.101 10 0 BEAERN Fc1ccc([C@@H]2NCCS2)c(F)c1 ZINC000050522750 343781992 /nfs/dbraw/zinc/78/19/92/343781992.db2.gz LSYOEFWWDYJDAZ-SECBINFHSA-N 0 0 201.241 2.300 10 0 BEAERN Cn1cc(-c2ccc(F)c(C=O)c2)cn1 ZINC000038071851 343783367 /nfs/dbraw/zinc/78/33/67/343783367.db2.gz HLEFJZYULWNFTR-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN Brc1cnn(C[C@H]2CCCCO2)c1 ZINC000038074774 343783384 /nfs/dbraw/zinc/78/33/84/343783384.db2.gz BMRLMFBUTQDGRT-SECBINFHSA-N 0 0 245.120 2.215 10 0 BEAERN C[C@H](C(=O)C1CCC1)C(=O)C(F)(F)F ZINC000323918261 537813606 /nfs/dbraw/zinc/81/36/06/537813606.db2.gz ZKOGSLMLDYQATG-RXMQYKEDSA-N 0 0 208.179 2.123 10 0 BEAERN CCCC[C@@H](CC)CNc1ccc(=O)[nH]n1 ZINC000309440508 343790522 /nfs/dbraw/zinc/79/05/22/343790522.db2.gz IKBOSYGQKHXFDB-SNVBAGLBSA-N 0 0 223.320 2.398 10 0 BEAERN CCOC[C@H]1CCCCN1c1ncccc1N ZINC000313233651 343791177 /nfs/dbraw/zinc/79/11/77/343791177.db2.gz CETALFSSBXRFDK-LLVKDONJSA-N 0 0 235.331 2.059 10 0 BEAERN Nc1ccc(N2CC[C@H](C(F)(F)F)C2)nc1 ZINC000304399238 343797361 /nfs/dbraw/zinc/79/73/61/343797361.db2.gz MKFDGQQTFATWIN-ZETCQYMHSA-N 0 0 231.221 2.052 10 0 BEAERN O=Cc1cn2c(n1)CO[C@H](c1ccsc1)C2 ZINC000409426556 343798344 /nfs/dbraw/zinc/79/83/44/343798344.db2.gz FLCLRSXYVXDKJN-JTQLQIEISA-N 0 0 234.280 2.029 10 0 BEAERN Nc1ccccc1N1CCOC[C@@H]2CCC[C@H]21 ZINC000409426554 343798392 /nfs/dbraw/zinc/79/83/92/343798392.db2.gz FKXKHBQBCPRPOD-WCQYABFASA-N 0 0 232.327 2.274 10 0 BEAERN O=c1cc(Cc2ccc(Cl)cc2)[nH]c(=O)[nH]1 ZINC000409427478 343801239 /nfs/dbraw/zinc/80/12/39/343801239.db2.gz AFKJMQAHFVKJHM-UHFFFAOYSA-N 0 0 236.658 2.132 10 0 BEAERN O=Cc1cn2c(n1)CO[C@H](c1cccs1)C2 ZINC000409427619 343801685 /nfs/dbraw/zinc/80/16/85/343801685.db2.gz KBWPMRZMNAYOKK-VIFPVBQESA-N 0 0 234.280 2.029 10 0 BEAERN O=c1cc(CC2CCCCC2)[nH]c(=O)[nH]1 ZINC000409427819 343801929 /nfs/dbraw/zinc/80/19/29/343801929.db2.gz CNAVJUCTSFXXAR-UHFFFAOYSA-N 0 0 208.261 2.011 10 0 BEAERN FC1(F)CCN(c2nsnc2Cl)CC1 ZINC000404751890 343812365 /nfs/dbraw/zinc/81/23/65/343812365.db2.gz XDQXGEPIAGGSCE-UHFFFAOYSA-N 0 0 239.678 2.427 10 0 BEAERN C[C@@H]1C[C@@H](n2cc(C[NH3+])nn2)CC(C)(C)C1 ZINC000409424845 343817808 /nfs/dbraw/zinc/81/78/08/343817808.db2.gz YTNQRUFEROSFOQ-MWLCHTKSSA-N 0 0 222.336 2.124 10 0 BEAERN C[C@@H](O)[C@H]1CCCCN1c1ccccc1N ZINC000409425654 343820356 /nfs/dbraw/zinc/82/03/56/343820356.db2.gz GJKPMECVBWCQRM-ZYHUDNBSSA-N 0 0 220.316 2.009 10 0 BEAERN CC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000238192710 537816716 /nfs/dbraw/zinc/81/67/16/537816716.db2.gz CADUMNJZRWKFGE-JTQLQIEISA-N 0 0 227.304 2.269 10 0 BEAERN Cc1ccc(OCCn2ccnc2)c(C=O)c1 ZINC000071408782 187275371 /nfs/dbraw/zinc/27/53/71/187275371.db2.gz YGEBINQCIDEHAE-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN CC(=O)Nc1cccc(-c2cncc(O)c2)c1 ZINC000065339307 187274367 /nfs/dbraw/zinc/27/43/67/187274367.db2.gz AFDAXVXIDOKEAR-UHFFFAOYSA-N 0 0 228.251 2.413 10 0 BEAERN O=c1[nH]c(=O)n(C2CC2)cc1-c1cccs1 ZINC000400589251 343811144 /nfs/dbraw/zinc/81/11/44/343811144.db2.gz XJXNQZSAVGHMDU-UHFFFAOYSA-N 0 0 234.280 2.012 10 0 BEAERN CCc1[nH]nc(CC(C)C)c1CCC(=O)OC ZINC000409440687 343852925 /nfs/dbraw/zinc/85/29/25/343852925.db2.gz NVOXVEVRRFZHML-UHFFFAOYSA-N 0 0 238.331 2.276 10 0 BEAERN Nc1cccnc1N1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409433746 343830213 /nfs/dbraw/zinc/83/02/13/343830213.db2.gz ZCSMUFVXFITLGW-IUCAKERBSA-N 0 0 239.269 2.145 10 0 BEAERN FC(F)[C@@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000409433951 343831029 /nfs/dbraw/zinc/83/10/29/343831029.db2.gz ZIRAHAAAWBODHL-ZCFIWIBFSA-N 0 0 233.649 2.221 10 0 BEAERN O=c1ccc(-c2ccco2)nn1CC(F)(F)F ZINC000409433223 343831598 /nfs/dbraw/zinc/83/15/98/343831598.db2.gz YQEMBHXMUKQDLY-UHFFFAOYSA-N 0 0 244.172 2.066 10 0 BEAERN Nc1cc([C@@H](N)C(F)(F)F)ccc1Cl ZINC000072194943 187276238 /nfs/dbraw/zinc/27/62/38/187276238.db2.gz SKFSHRAQHMDBCE-SSDOTTSWSA-N 0 0 224.613 2.484 10 0 BEAERN CCN(C)c1ccc(Br)nc1 ZINC000072192992 187276314 /nfs/dbraw/zinc/27/63/14/187276314.db2.gz YCKGVZZECYRXBU-UHFFFAOYSA-N 0 0 215.094 2.300 10 0 BEAERN O[C@H]1CCCn2cc(-c3ccsc3)nc21 ZINC000409437657 343840975 /nfs/dbraw/zinc/84/09/75/343840975.db2.gz IDRQLOKQWOVVSX-JTQLQIEISA-N 0 0 220.297 2.439 10 0 BEAERN c1csc(-c2n[nH]c3c2COCC3)c1 ZINC000409436866 343841473 /nfs/dbraw/zinc/84/14/73/343841473.db2.gz BRHUFLZAVNAPJU-UHFFFAOYSA-N 0 0 206.270 2.211 10 0 BEAERN CCn1cc(CCO)c(-c2ccccc2)n1 ZINC000409437494 343843609 /nfs/dbraw/zinc/84/36/09/343843609.db2.gz HECLZUQXSDUOLJ-UHFFFAOYSA-N 0 0 216.284 2.105 10 0 BEAERN CCc1[nH]nc(-c2ccsc2)c1CCO ZINC000409438758 343845257 /nfs/dbraw/zinc/84/52/57/343845257.db2.gz FQVWDOJUSZYKJH-UHFFFAOYSA-N 0 0 222.313 2.235 10 0 BEAERN CCn1ccn2ncc(-c3ccccn3)c12 ZINC000409439182 343846275 /nfs/dbraw/zinc/84/62/75/343846275.db2.gz QDUOWSHNYHIZAH-UHFFFAOYSA-N 0 0 212.256 2.218 10 0 BEAERN OCCc1c(C2CCC2)n[nH]c1C1CCC1 ZINC000409437799 343848900 /nfs/dbraw/zinc/84/89/00/343848900.db2.gz ABJKSSQCUFZZJF-UHFFFAOYSA-N 0 0 220.316 2.480 10 0 BEAERN CCc1ccc(-c2cc(=S)[nH]c(=O)n2C)cc1 ZINC000409440169 343851102 /nfs/dbraw/zinc/85/11/02/343851102.db2.gz WDHPGDDDTUJGAR-UHFFFAOYSA-N 0 0 246.335 2.298 10 0 BEAERN OCCc1c(-c2ccco2)n[nH]c1C1CCC1 ZINC000409442166 343857503 /nfs/dbraw/zinc/85/75/03/343857503.db2.gz XEQDOKMKXMNXFL-UHFFFAOYSA-N 0 0 232.283 2.472 10 0 BEAERN Cc1cncc(-c2ccc(C=O)s2)n1 ZINC000585144618 343879651 /nfs/dbraw/zinc/87/96/51/343879651.db2.gz XZYJKRNSSKNBQJ-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN COc1ccc(Br)c(C)c1O ZINC000075627171 187277502 /nfs/dbraw/zinc/27/75/02/187277502.db2.gz CRHGTZPPAFCLSF-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CCCCc1nnc(Br)o1 ZINC000157802171 343884465 /nfs/dbraw/zinc/88/44/65/343884465.db2.gz PDGUQMRWSFTQPI-UHFFFAOYSA-N 0 0 205.055 2.175 10 0 BEAERN CC(C)c1cc(-c2cccnc2)nn1CCO ZINC000409441367 343859081 /nfs/dbraw/zinc/85/90/81/343859081.db2.gz RJOCLJHLUVFTCS-UHFFFAOYSA-N 0 0 231.299 2.061 10 0 BEAERN OCCc1cn(CCF)nc1-c1ccsc1 ZINC000409441704 343860640 /nfs/dbraw/zinc/86/06/40/343860640.db2.gz ZMCVWRPOLLSMGO-UHFFFAOYSA-N 0 0 240.303 2.116 10 0 BEAERN COc1cccc([C@H](C(=N)NO)n2cccc2)c1 ZINC000409441797 343861241 /nfs/dbraw/zinc/86/12/41/343861241.db2.gz RCNBZYLLEFWTDG-GFCCVEGCSA-N 0 0 245.282 2.042 10 0 BEAERN CC(C)c1cc(-c2ccncc2)nn1CCO ZINC000409441935 343861831 /nfs/dbraw/zinc/86/18/31/343861831.db2.gz VHUMSGUIOZHFEE-UHFFFAOYSA-N 0 0 231.299 2.061 10 0 BEAERN CC(C)n1nc(-c2ccncc2)cc1CO ZINC000409443680 343862231 /nfs/dbraw/zinc/86/22/31/343862231.db2.gz RKDYTZSSOSKTMR-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN NN[C@H](c1ncc(Cl)cc1Cl)C1CC1 ZINC000128423722 347004867 /nfs/dbraw/zinc/00/48/67/347004867.db2.gz YEZPVIJKOOFSDS-QMMMGPOBSA-N 0 0 232.114 2.303 10 0 BEAERN COC(=O)c1cc(Cc2ccsc2)nc(C)n1 ZINC000575622426 343869800 /nfs/dbraw/zinc/86/98/00/343869800.db2.gz LPBMTPUOMRGDAO-UHFFFAOYSA-N 0 0 248.307 2.224 10 0 BEAERN Nc1cc(CCC2CCCCC2)ncn1 ZINC000575622388 343869987 /nfs/dbraw/zinc/86/99/87/343869987.db2.gz UYIBBZOUPSRLIR-UHFFFAOYSA-N 0 0 205.305 2.402 10 0 BEAERN CC[C@H](C)c1cc(=O)n(C(C)C)c(=O)[nH]1 ZINC000575621957 343870282 /nfs/dbraw/zinc/87/02/82/343870282.db2.gz BCPYZCNSRIEXHL-QMMMGPOBSA-N 0 0 210.277 2.043 10 0 BEAERN COc1nn(C)cc1N[C@@H]1CC[C@H]1C1CC1 ZINC000336697226 537826988 /nfs/dbraw/zinc/82/69/88/537826988.db2.gz MFONAFWFLSEHCD-VHSXEESVSA-N 0 0 221.304 2.029 10 0 BEAERN CCn1cncc1-c1nccnc1Cl ZINC000157806516 343886432 /nfs/dbraw/zinc/88/64/32/343886432.db2.gz STHNVEOJTHYGSD-UHFFFAOYSA-N 0 0 208.652 2.013 10 0 BEAERN C[C@@H](NN)c1cccc(F)c1Br ZINC000127171919 343886951 /nfs/dbraw/zinc/88/69/51/343886951.db2.gz QZSUNOOFOSOOMO-RXMQYKEDSA-N 0 0 233.084 2.113 10 0 BEAERN Fc1ccc(-c2nnc(Br)o2)nc1 ZINC000157810491 343887502 /nfs/dbraw/zinc/88/75/02/343887502.db2.gz IGXICXJUVCDYKG-UHFFFAOYSA-N 0 0 244.023 2.033 10 0 BEAERN COc1ccc(Br)c(CCO)c1F ZINC000075856849 187278053 /nfs/dbraw/zinc/27/80/53/187278053.db2.gz JETISEHMZLBERQ-UHFFFAOYSA-N 0 0 249.079 2.132 10 0 BEAERN Cc1c(N)cccc1Oc1nncs1 ZINC000069967098 343945231 /nfs/dbraw/zinc/94/52/31/343945231.db2.gz WNQVTXGDSQLYJC-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN CC(C)C(=O)c1ccc2nccnc2c1 ZINC000069977231 343945501 /nfs/dbraw/zinc/94/55/01/343945501.db2.gz GIAQIXRIVHXMJY-UHFFFAOYSA-N 0 0 200.241 2.469 10 0 BEAERN C[C@@H](O)C(C)(C)Nc1nc(Cl)cs1 ZINC000128441962 347016779 /nfs/dbraw/zinc/01/67/79/347016779.db2.gz QIVYVZHGLDDAOY-RXMQYKEDSA-N 0 0 220.725 2.368 10 0 BEAERN O[C@@]1(c2occc2Br)CCCOC1 ZINC000070017561 343946895 /nfs/dbraw/zinc/94/68/95/343946895.db2.gz FJUYUWBDZGYCBE-VIFPVBQESA-N 0 0 247.088 2.040 10 0 BEAERN C[C@H]1CN(c2ccc(C=O)s2)CCCO1 ZINC000070609428 343953054 /nfs/dbraw/zinc/95/30/54/343953054.db2.gz NZBVKJYTHSEUHD-VIFPVBQESA-N 0 0 225.313 2.176 10 0 BEAERN Nc1nsc(Cc2cccc(Cl)c2)n1 ZINC000070839911 343956417 /nfs/dbraw/zinc/95/64/17/343956417.db2.gz YICQFOCMIAODOO-UHFFFAOYSA-N 0 0 225.704 2.365 10 0 BEAERN C[C@@H]1CCCC[C@@H]1n1c(N)n[nH]c1=S ZINC000070881358 343956903 /nfs/dbraw/zinc/95/69/03/343956903.db2.gz DEBZTKLCXXWDEX-RQJHMYQMSA-N 0 0 212.322 2.274 10 0 BEAERN C[C@H](NN)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000127230054 344056018 /nfs/dbraw/zinc/05/60/18/344056018.db2.gz ZWZGYZUBOBVMIL-RNJXMRFFSA-N 0 0 210.243 2.207 10 0 BEAERN Cc1cccc(O)c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000625735175 344061018 /nfs/dbraw/zinc/06/10/18/344061018.db2.gz VOGMVGPKODQXAM-GHMZBOCLSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cccc(O)c1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000625735178 344061235 /nfs/dbraw/zinc/06/12/35/344061235.db2.gz VOGMVGPKODQXAM-WDEREUQCSA-N 0 0 231.295 2.325 10 0 BEAERN C[C@@H]1CCS[C@@H](c2cscn2)N1 ZINC000126790145 344103287 /nfs/dbraw/zinc/10/32/87/344103287.db2.gz FVJSRAREGWODJW-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN COc1ccc(CN2[C@H](C)COC[C@H]2C)cc1 ZINC000093607344 187286462 /nfs/dbraw/zinc/28/64/62/187286462.db2.gz VTPHJVIITLBTGV-VXGBXAGGSA-N 0 0 235.327 2.304 10 0 BEAERN CC(=O)C1=C(O)C[C@H](c2ccncc2)CC1 ZINC000214942667 344110923 /nfs/dbraw/zinc/11/09/23/344110923.db2.gz GJIOKJSEFAOPKL-NEPJUHHUSA-N 0 0 217.268 2.123 10 0 BEAERN CC1(C)[C@@H]([NH2+]Cc2ccoc2)[C@@H]2CCO[C@@H]21 ZINC000125926595 344166086 /nfs/dbraw/zinc/16/60/86/344166086.db2.gz GASOVSGVUSVZGY-SRVKXCTJSA-N 0 0 221.300 2.183 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000618098136 344174046 /nfs/dbraw/zinc/17/40/46/344174046.db2.gz YOGBCBYOIMTTDA-IRCOFANPSA-N 0 0 237.343 2.106 10 0 BEAERN CN(C)c1cncc(Cl)c1OC1CC1 ZINC000095720752 187288180 /nfs/dbraw/zinc/28/81/80/187288180.db2.gz FVWFTEJCTXPIQY-UHFFFAOYSA-N 0 0 212.680 2.342 10 0 BEAERN C[C@@H]1OCC[C@]1(CO)Cc1cccs1 ZINC000127326790 344140691 /nfs/dbraw/zinc/14/06/91/344140691.db2.gz GOPPYXNPWUOZJX-GXSJLCMTSA-N 0 0 212.314 2.078 10 0 BEAERN CC(C)N(C(N)=O)c1ccnc(Cl)c1 ZINC000095931927 187288635 /nfs/dbraw/zinc/28/86/35/187288635.db2.gz MDYMRQPXCJWUJX-UHFFFAOYSA-N 0 0 213.668 2.029 10 0 BEAERN FC(F)(F)COCCSC1CCOCC1 ZINC000130961397 344210770 /nfs/dbraw/zinc/21/07/70/344210770.db2.gz KQCACEMHYPYTBM-UHFFFAOYSA-N 0 0 244.278 2.478 10 0 BEAERN COc1ccc([C@@H]2CCC[C@@H]2O)cc1F ZINC000055264940 259373960 /nfs/dbraw/zinc/37/39/60/259373960.db2.gz XFUKOCCOUGAMSU-ONGXEEELSA-N 0 0 210.248 2.463 10 0 BEAERN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)NN1 ZINC000220328547 344232508 /nfs/dbraw/zinc/23/25/08/344232508.db2.gz UCLQQEPMBRZDIU-MRVPVSSYSA-N 0 0 231.082 2.059 10 0 BEAERN O=C1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000127347693 344235944 /nfs/dbraw/zinc/23/59/44/344235944.db2.gz FTPUIVCMVQNCLB-SECBINFHSA-N 0 0 204.273 2.056 10 0 BEAERN CCOC(=O)CC(=O)[C@@H]1CCc2ccccc2C1 ZINC000088036369 344237261 /nfs/dbraw/zinc/23/72/61/344237261.db2.gz MRXFPPLCDBADGB-CYBMUJFWSA-N 0 0 246.306 2.314 10 0 BEAERN CCOC(=O)Nc1cc(Cl)ccn1 ZINC000220316250 344187660 /nfs/dbraw/zinc/18/76/60/344187660.db2.gz FYJIXXPWJDWVNW-UHFFFAOYSA-N 0 0 200.625 2.303 10 0 BEAERN CCc1ccccc1N[C@@H]1COC[C@H]1F ZINC000616581539 344255278 /nfs/dbraw/zinc/25/52/78/344255278.db2.gz YTWWLHAUFMREQP-ZYHUDNBSSA-N 0 0 209.264 2.398 10 0 BEAERN CO[C@H]1CC[C@@H](Nc2nsnc2Cl)C1 ZINC000234806392 344268769 /nfs/dbraw/zinc/26/87/69/344268769.db2.gz ADXUIXAFFFMJMD-RITPCOANSA-N 0 0 233.724 2.171 10 0 BEAERN COc1c(N)nsc1NCc1ccccc1 ZINC000234832324 344273942 /nfs/dbraw/zinc/27/39/42/344273942.db2.gz NVHGCVYEZHWNPS-UHFFFAOYSA-N 0 0 235.312 2.346 10 0 BEAERN Clc1nccc(Sc2ncco2)n1 ZINC000236066131 344291331 /nfs/dbraw/zinc/29/13/31/344291331.db2.gz QLIGSPAFIBGILU-UHFFFAOYSA-N 0 0 213.649 2.269 10 0 BEAERN C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000132982392 344310559 /nfs/dbraw/zinc/31/05/59/344310559.db2.gz ZNYFBEAZWTUVOT-LDYMZIIASA-N 0 0 226.707 2.002 10 0 BEAERN Cc1ccnc(N[C@@H]2CCc3cc(N)ccc32)n1 ZINC000094093137 344326175 /nfs/dbraw/zinc/32/61/75/344326175.db2.gz GLPYLOWQUNEFAL-CYBMUJFWSA-N 0 0 240.310 2.467 10 0 BEAERN Cc1cnc(N[C@H]2CCc3cc(N)ccc32)nc1 ZINC000094093297 344326179 /nfs/dbraw/zinc/32/61/79/344326179.db2.gz CWDIAZLDXUHQGN-ZDUSSCGKSA-N 0 0 240.310 2.467 10 0 BEAERN CCOC(=O)c1oc2cnccc2c1OC ZINC000096035836 344365583 /nfs/dbraw/zinc/36/55/83/344365583.db2.gz WOODKALJALOASO-UHFFFAOYSA-N 0 0 221.212 2.013 10 0 BEAERN N[C@H](c1occc1Br)C(F)F ZINC000236300154 344353830 /nfs/dbraw/zinc/35/38/30/344353830.db2.gz RWLPESQHYGKGLV-SCSAIBSYSA-N 0 0 226.020 2.307 10 0 BEAERN Oc1ccc2c(c1)CC[C@@H](c1cnccn1)O2 ZINC000145528253 344301369 /nfs/dbraw/zinc/30/13/69/344301369.db2.gz HDFCUPVSKRDDDT-ZDUSSCGKSA-N 0 0 228.251 2.249 10 0 BEAERN O=C1C[C@@H](c2cccnc2)Oc2ccc(O)cc21 ZINC000145543234 344304065 /nfs/dbraw/zinc/30/40/65/344304065.db2.gz RUOWWYMRQXMGMH-AWEZNQCLSA-N 0 0 241.246 2.494 10 0 BEAERN CCO[C@H](C)c1nsc(Br)n1 ZINC000166022590 344391409 /nfs/dbraw/zinc/39/14/09/344391409.db2.gz DKOPODPJZCTEHR-SCSAIBSYSA-N 0 0 237.122 2.398 10 0 BEAERN CCO[C@@H](C)c1nsc(Br)n1 ZINC000166022491 344391459 /nfs/dbraw/zinc/39/14/59/344391459.db2.gz DKOPODPJZCTEHR-BYPYZUCNSA-N 0 0 237.122 2.398 10 0 BEAERN O[C@H](c1cnsn1)C1=CCCCCC1 ZINC000236516742 344394526 /nfs/dbraw/zinc/39/45/26/344394526.db2.gz HCDGGOVJWOUXMZ-JTQLQIEISA-N 0 0 210.302 2.462 10 0 BEAERN c1csc(Cc2nncn2C2CC2)c1 ZINC000098177015 344395429 /nfs/dbraw/zinc/39/54/29/344395429.db2.gz CTOZTDRMMOMQKV-UHFFFAOYSA-N 0 0 205.286 2.265 10 0 BEAERN O=C(c1ccc(Cl)cc1)c1ccncn1 ZINC000036460140 344404537 /nfs/dbraw/zinc/40/45/37/344404537.db2.gz LKGVEQVSKHXFCV-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN CON(C)C(=O)/C(F)=C/c1ccccc1 ZINC000139571667 344405736 /nfs/dbraw/zinc/40/57/36/344405736.db2.gz KJBDJBXBZCXCGK-NTMALXAHSA-N 0 0 209.220 2.017 10 0 BEAERN COc1ccc(N2C(=O)C[C@H]2C(F)(F)F)cc1 ZINC000217886362 344405975 /nfs/dbraw/zinc/40/59/75/344405975.db2.gz YQEBVLXUQFJBIO-VIFPVBQESA-N 0 0 245.200 2.363 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC2(CCC2)C1 ZINC000380481903 344409723 /nfs/dbraw/zinc/40/97/23/344409723.db2.gz PWQFYOOMMYFOCF-ZSBIGDGJSA-N 0 0 219.328 2.435 10 0 BEAERN Nc1ccc(C2=CCCn3ccnc32)cc1 ZINC000028762467 344413485 /nfs/dbraw/zinc/41/34/85/344413485.db2.gz RJDSXKLFYHZPHB-UHFFFAOYSA-N 0 0 211.268 2.301 10 0 BEAERN OCc1c(O)cc(Cl)cc1Br ZINC000216993651 344419115 /nfs/dbraw/zinc/41/91/15/344419115.db2.gz ASMIAOSLHHVLHM-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN O[C@]1(C(F)(F)F)CCCc2occc21 ZINC000166099796 344503305 /nfs/dbraw/zinc/50/33/05/344503305.db2.gz IYYXUJPMPGGXHQ-MRVPVSSYSA-N 0 0 206.163 2.366 10 0 BEAERN Cc1ccc(Cn2ncc(Cl)c2N)cc1 ZINC000043665189 178667790 /nfs/dbraw/zinc/66/77/90/178667790.db2.gz SCYZFICZHVCBOF-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN COC(=O)CC(C)(C)CC(=O)N[C@H](C)C(C)C ZINC000119795021 344481721 /nfs/dbraw/zinc/48/17/21/344481721.db2.gz FOBHGYJLHBRQMU-SNVBAGLBSA-N 0 0 243.347 2.127 10 0 BEAERN Cc1nc([C@H]2CCCN2c2cccc(C)n2)no1 ZINC000408311120 344486564 /nfs/dbraw/zinc/48/65/64/344486564.db2.gz XMNCWLOELRQLCX-LLVKDONJSA-N 0 0 244.298 2.423 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000389366837 344497937 /nfs/dbraw/zinc/49/79/37/344497937.db2.gz VQMHVSQSQRJROX-OOJXKGFFSA-N 0 0 221.222 2.100 10 0 BEAERN Cc1ccc(F)c(NCCC(=O)N(C)C)c1 ZINC000037897884 178676376 /nfs/dbraw/zinc/67/63/76/178676376.db2.gz IXEOSAPFOLVXAM-UHFFFAOYSA-N 0 0 224.279 2.024 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1c[nH]cn1 ZINC000616615777 344544016 /nfs/dbraw/zinc/54/40/16/344544016.db2.gz SFBBYJUNWCUZRJ-JTQLQIEISA-N 0 0 223.276 2.093 10 0 BEAERN COCCn1ccc2c1nc(Cl)nc2Cl ZINC000220664164 344564614 /nfs/dbraw/zinc/56/46/14/344564614.db2.gz VQABKTGKSWDWFV-UHFFFAOYSA-N 0 0 246.097 2.385 10 0 BEAERN COc1ccccc1/C=C(\C)NC(C)=O ZINC000211410199 344596335 /nfs/dbraw/zinc/59/63/35/344596335.db2.gz HNEFEXUVHVMYNQ-CMDGGOBGSA-N 0 0 205.257 2.192 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(C)n1 ZINC000177694301 344580575 /nfs/dbraw/zinc/58/05/75/344580575.db2.gz WNJGZXPFPNUXMZ-SKDRFNHKSA-N 0 0 234.299 2.204 10 0 BEAERN CO[C@H](c1noc(Cl)n1)C(C)(C)C ZINC000158282512 344582523 /nfs/dbraw/zinc/58/25/23/344582523.db2.gz HMLPZJUUZKULDJ-RXMQYKEDSA-N 0 0 204.657 2.457 10 0 BEAERN N#CCc1cc(N)cc(F)c1C(F)(F)F ZINC000396038515 344586637 /nfs/dbraw/zinc/58/66/37/344586637.db2.gz HGANGCVBZWMXIG-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN CCOC(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000396122111 344608875 /nfs/dbraw/zinc/60/88/75/344608875.db2.gz WUTZKYNYAFLGMQ-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOC(=O)c1c(F)cncc1C(F)(F)F ZINC000396122581 344609062 /nfs/dbraw/zinc/60/90/62/344609062.db2.gz CDIVYFSPQGVOAI-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CCOC(=O)c1cnc(F)cc1C(F)(F)F ZINC000396125085 344609769 /nfs/dbraw/zinc/60/97/69/344609769.db2.gz JYDAVHBYVZECNO-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN Cc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)on1 ZINC000158349946 344611342 /nfs/dbraw/zinc/61/13/42/344611342.db2.gz NCNOCZGJQUSENC-UWVGGRQHSA-N 0 0 236.315 2.491 10 0 BEAERN CCOc1cc(OC)c(F)c(OC)c1 ZINC000396128555 344611846 /nfs/dbraw/zinc/61/18/46/344611846.db2.gz VFYQWEXTHAWASL-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN COC(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000396145134 344618385 /nfs/dbraw/zinc/61/83/85/344618385.db2.gz GGCUIYBNUSZTCS-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN COc1cc(OC(F)F)cc(F)c1OC ZINC000396130748 344612241 /nfs/dbraw/zinc/61/22/41/344612241.db2.gz ZIXXCODEZYOJGH-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc(F)c1N ZINC000396134760 344612449 /nfs/dbraw/zinc/61/24/49/344612449.db2.gz FHIIPHABYOIJQF-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN N#Cc1c(N)ccc(F)c1OC(F)(F)F ZINC000396134821 344612525 /nfs/dbraw/zinc/61/25/25/344612525.db2.gz FVICUHLTWFDAOV-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN N#Cc1c(F)c(N)ccc1OC(F)(F)F ZINC000396134066 344612711 /nfs/dbraw/zinc/61/27/11/344612711.db2.gz CDDZKRMRNHETTD-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)Cc1cc(O)cc(C#N)c1Cl ZINC000396144885 344618415 /nfs/dbraw/zinc/61/84/15/344618415.db2.gz FPYKUXUSRQRAQM-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN COC(=O)c1nc(OC(F)F)ccc1Cl ZINC000396135352 344612963 /nfs/dbraw/zinc/61/29/63/344612963.db2.gz HZKLAZFBHBQPFB-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1cc(F)cc(F)c1C#N ZINC000396144930 344618421 /nfs/dbraw/zinc/61/84/21/344618421.db2.gz QXDLVHBEIJZQKV-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN CCOC(=O)c1c(CC)ccc(O)c1C#N ZINC000396136693 344613454 /nfs/dbraw/zinc/61/34/54/344613454.db2.gz MDWHKLTTYQIWRF-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(C)c(C#N)cc1C ZINC000396136629 344613503 /nfs/dbraw/zinc/61/35/03/344613503.db2.gz LMCQQJNNOFVJLO-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN CCOC(=O)c1c(CC)ccc(F)c1C#N ZINC000396142547 344616337 /nfs/dbraw/zinc/61/63/37/344616337.db2.gz IPEDVHSTJVHNCD-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1c(F)cc(C)cc1C#N ZINC000396143327 344617020 /nfs/dbraw/zinc/61/70/20/344617020.db2.gz MDCLHHHPENLTBD-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)Cc1c(C)c(C)ccc1C#N ZINC000396145207 344618651 /nfs/dbraw/zinc/61/86/51/344618651.db2.gz RSODQXLDAKDXOW-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN Cc1cnc([C@@H](C)Nc2ccncc2F)o1 ZINC000641508254 362469276 /nfs/dbraw/zinc/46/92/76/362469276.db2.gz OSKLJHGFWQOBCK-MRVPVSSYSA-N 0 0 221.235 2.112 10 0 BEAERN OCc1cc(OC(F)F)cnc1C(F)(F)F ZINC000396097983 344599765 /nfs/dbraw/zinc/59/97/65/344599765.db2.gz PUCWWTMVSDHJLV-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COc1cc(OC(F)(F)F)cc(F)c1N ZINC000396098374 344601953 /nfs/dbraw/zinc/60/19/53/344601953.db2.gz AFRORXBGQOPNLH-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1ccc(OC(F)(F)F)c(N)c1F ZINC000396105451 344603409 /nfs/dbraw/zinc/60/34/09/344603409.db2.gz OMEVILLKZUAFPP-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1ccc(N)c(OC(F)(F)F)c1F ZINC000396104653 344603457 /nfs/dbraw/zinc/60/34/57/344603457.db2.gz MDMSYXQXLDJXMC-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CCOC(=O)c1cc(F)c(C(F)(F)F)cn1 ZINC000396110617 344605439 /nfs/dbraw/zinc/60/54/39/344605439.db2.gz GUGBKVHGGZWNJI-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN Cc1nn(CCCC(F)(F)F)c(C)c1N ZINC000123648065 537851785 /nfs/dbraw/zinc/85/17/85/537851785.db2.gz JPORNUNCRYFWGE-UHFFFAOYSA-N 0 0 221.226 2.425 10 0 BEAERN CCOC(=O)c1ccc(F)c(C)c1[N+](=O)[O-] ZINC000396115542 344606338 /nfs/dbraw/zinc/60/63/38/344606338.db2.gz HYGQDHLNNSORJR-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN COC(=O)c1cc(OC(F)F)c(F)cc1F ZINC000396114898 344606408 /nfs/dbraw/zinc/60/64/08/344606408.db2.gz GDGQQSXPXWRFKP-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN CN(C)c1ccc(C=O)c(OC(F)(F)F)c1 ZINC000396117886 344606896 /nfs/dbraw/zinc/60/68/96/344606896.db2.gz LMMQGINFANMGRB-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN CCOC(=O)c1c(F)ccc(F)c1[N+](=O)[O-] ZINC000396117770 344607152 /nfs/dbraw/zinc/60/71/52/344607152.db2.gz KZPWBNCOEDLBJE-UHFFFAOYSA-N 0 0 231.154 2.050 10 0 BEAERN Nc1c(F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000396119195 344607926 /nfs/dbraw/zinc/60/79/26/344607926.db2.gz OUDMOVKVRJPBLK-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CO[C@@H](C)Cc1nc2c(c(Cl)n1)CCC2 ZINC000127863385 344669404 /nfs/dbraw/zinc/66/94/04/344669404.db2.gz JITCWSCDHIMLJZ-ZETCQYMHSA-N 0 0 226.707 2.196 10 0 BEAERN c1ccc2c(c1)CC[C@H](Nc1cccnn1)C2 ZINC000052831392 344669531 /nfs/dbraw/zinc/66/95/31/344669531.db2.gz QMVSAFUMZUYFRP-ZDUSSCGKSA-N 0 0 225.295 2.446 10 0 BEAERN CO[C@@H](C)Cc1nc(C)c(F)c(Cl)n1 ZINC000127869950 344670327 /nfs/dbraw/zinc/67/03/27/344670327.db2.gz MGTRQZYQVJZHNU-YFKPBYRVSA-N 0 0 218.659 2.155 10 0 BEAERN CCOC(=O)c1c(Cl)cc(C#N)cc1OC ZINC000396147176 344620477 /nfs/dbraw/zinc/62/04/77/344620477.db2.gz LABYWCFNZMJPCU-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)c1c(Cl)ccc(C#N)c1OC ZINC000396147911 344621450 /nfs/dbraw/zinc/62/14/50/344621450.db2.gz ZAFRIUCSQRYGBN-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1cc(C)c(C#N)c(F)c1 ZINC000396147899 344621480 /nfs/dbraw/zinc/62/14/80/344621480.db2.gz YWQOBYAFJDOALK-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCc1cc(C)c(CC(=O)OC)c(C#N)c1 ZINC000396148980 344622611 /nfs/dbraw/zinc/62/26/11/344622611.db2.gz NXGAYSZNAZPVQR-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1C ZINC000396151158 344623647 /nfs/dbraw/zinc/62/36/47/344623647.db2.gz QEZAKEQTBNIKOW-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN COC(=O)c1cc(C#N)c(C(F)F)cc1F ZINC000396151444 344624178 /nfs/dbraw/zinc/62/41/78/344624178.db2.gz LOECXUAGUHHKIY-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1ccc(C)c(C#N)c1CC(=O)OC ZINC000396154139 344626121 /nfs/dbraw/zinc/62/61/21/344626121.db2.gz TZJBFHAACVMOIH-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(C)c1[N+](=O)[O-] ZINC000396154351 344626194 /nfs/dbraw/zinc/62/61/94/344626194.db2.gz FRLPPFRXJDJRQF-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(C#N)cc1F ZINC000396154287 344626239 /nfs/dbraw/zinc/62/62/39/344626239.db2.gz UUKBQUDSLHKKCJ-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1ccc(F)c(C)c1C#N ZINC000396154420 344626519 /nfs/dbraw/zinc/62/65/19/344626519.db2.gz DUAWKOKZWRSVEZ-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1cc(F)c(C)cc1C#N ZINC000396154537 344626537 /nfs/dbraw/zinc/62/65/37/344626537.db2.gz FDLCVROQCIXASH-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCc1ccc(C(=O)OC)c(C#N)c1CC ZINC000396155869 344627367 /nfs/dbraw/zinc/62/73/67/344627367.db2.gz QZIUQQVYOOUMNY-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCc1cc(C)c(CC(=O)OC)cc1C#N ZINC000396157931 344628874 /nfs/dbraw/zinc/62/88/74/344628874.db2.gz ZTQJCVKIXCCTLA-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1c(C#N)cc(Cl)cc1CC(=O)OC ZINC000396169328 344630982 /nfs/dbraw/zinc/63/09/82/344630982.db2.gz YSHPYNDKKXFMJH-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)Cc1cc(C)c(Cl)cc1[N+](=O)[O-] ZINC000396169981 344630989 /nfs/dbraw/zinc/63/09/89/344630989.db2.gz ZRVKRBAGNMMBGV-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1ccc(C=O)c(Cl)c1C#N ZINC000396159234 344632471 /nfs/dbraw/zinc/63/24/71/344632471.db2.gz LCOZIMJFCXFPNU-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)c1c(F)ccc(C#N)c1CC ZINC000396162635 344634613 /nfs/dbraw/zinc/63/46/13/344634613.db2.gz PKAXJODGGJSBKG-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCc1c(Cl)cc(CC(=O)OC)cc1C#N ZINC000396163402 344634940 /nfs/dbraw/zinc/63/49/40/344634940.db2.gz QEBXHTMFXUBTFS-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)Cc1c(F)cc(Cl)c(F)c1F ZINC000396164050 344635411 /nfs/dbraw/zinc/63/54/11/344635411.db2.gz QRBHYAHRKGZPBV-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN COC(=O)Cc1ccc([N+](=O)[O-])c(C)c1Cl ZINC000396165438 344635883 /nfs/dbraw/zinc/63/58/83/344635883.db2.gz VJZITMYJDOSQDK-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCC1CCC(O)CC1 ZINC000227615169 344638933 /nfs/dbraw/zinc/63/89/33/344638933.db2.gz CYRSLZCVGHQQOL-IKWCTNDRSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCC1CCC(O)CC1 ZINC000227615167 344639174 /nfs/dbraw/zinc/63/91/74/344639174.db2.gz CYRSLZCVGHQQOL-WTIISPKJSA-N 0 0 239.359 2.090 10 0 BEAERN Cc1ccc(-c2nn(C)c(=S)[nH]2)cc1 ZINC000127747218 344639638 /nfs/dbraw/zinc/63/96/38/344639638.db2.gz PKZGSEKZKCWPEA-UHFFFAOYSA-N 0 0 205.286 2.079 10 0 BEAERN O=C(CC1CCOCC1)C(F)(F)Cl ZINC000158685686 344721360 /nfs/dbraw/zinc/72/13/60/344721360.db2.gz SBQITFRWILQTRH-UHFFFAOYSA-N 0 0 212.623 2.204 10 0 BEAERN Cc1ccc(N(C)C[C@H]2CCCOC2)c(N)c1 ZINC000104199682 178700301 /nfs/dbraw/zinc/70/03/01/178700301.db2.gz OTXNEXJHKURDDD-GFCCVEGCSA-N 0 0 234.343 2.440 10 0 BEAERN Cc1nc(C[C@H](O)C(F)(F)Cl)cs1 ZINC000158714987 344730338 /nfs/dbraw/zinc/73/03/38/344730338.db2.gz BUPROFMWERYNSY-LURJTMIESA-N 0 0 227.663 2.187 10 0 BEAERN Cc1ccncc1[C@@H]1NC[C@@H](C)CS1 ZINC000135523742 344742116 /nfs/dbraw/zinc/74/21/16/344742116.db2.gz DMIJTWBGLWNXTE-LDYMZIIASA-N 0 0 208.330 2.361 10 0 BEAERN COc1cccc(-c2ncc(C=O)s2)n1 ZINC000235000384 344742581 /nfs/dbraw/zinc/74/25/81/344742581.db2.gz UDYQJMIJIHDTKF-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN CSCC(=O)Nc1ccnc(Cl)c1 ZINC000235025498 344746290 /nfs/dbraw/zinc/74/62/90/344746290.db2.gz FMOKHWYXEQQGLI-UHFFFAOYSA-N 0 0 216.693 2.037 10 0 BEAERN Clc1noc([C@@H]2Cc3ccccc32)n1 ZINC000158590325 344686629 /nfs/dbraw/zinc/68/66/29/344686629.db2.gz XRQMJDCUNQDYLQ-MRVPVSSYSA-N 0 0 206.632 2.411 10 0 BEAERN COc1ccsc1-c1nc(Cl)no1 ZINC000158599158 344687653 /nfs/dbraw/zinc/68/76/53/344687653.db2.gz JCRFEYGVXODGDX-UHFFFAOYSA-N 0 0 216.649 2.460 10 0 BEAERN Cc1cccc(C(=O)c2csnn2)c1 ZINC000158596886 344689763 /nfs/dbraw/zinc/68/97/63/344689763.db2.gz AXNBQKDGQTVZOZ-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CCC(CC)NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000152802723 344698806 /nfs/dbraw/zinc/69/88/06/344698806.db2.gz HDVKUYAISSZAME-ZYHUDNBSSA-N 0 0 242.363 2.025 10 0 BEAERN CN(Cc1ccco1)c1ccnc(F)c1 ZINC000227640557 344699824 /nfs/dbraw/zinc/69/98/24/344699824.db2.gz ODNZQXGTYUVRSI-UHFFFAOYSA-N 0 0 206.220 2.450 10 0 BEAERN Cc1nccn1-c1ccc(C=O)cc1C ZINC000050545104 344708418 /nfs/dbraw/zinc/70/84/18/344708418.db2.gz COPSCRXTFCCJMH-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN Fc1cc(NCC[C@H]2CCCO2)ccn1 ZINC000227642773 344710416 /nfs/dbraw/zinc/71/04/16/344710416.db2.gz UKAAFTPKRICKIV-SNVBAGLBSA-N 0 0 210.252 2.202 10 0 BEAERN C[C@@H]1[C@@H](C)CCCN1C1N=NC(=S)S1 ZINC000050567063 344711182 /nfs/dbraw/zinc/71/11/82/344711182.db2.gz BHBBWQQUOVESQN-NKWVEPMBSA-N 0 0 229.374 2.452 10 0 BEAERN Cc1cnn(-c2ccc(C=O)c(C)c2)c1 ZINC000050575445 344713693 /nfs/dbraw/zinc/71/36/93/344713693.db2.gz ZJAVTKZVVNIJNQ-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN COc1cccnc1[C@@]1(C)CCC(=O)C1 ZINC000235044252 344750089 /nfs/dbraw/zinc/75/00/89/344750089.db2.gz UVWWIDOPRUOYLI-LBPRGKRZSA-N 0 0 205.257 2.101 10 0 BEAERN Cc1ccccc1C(=O)c1cnsn1 ZINC000158672546 344715302 /nfs/dbraw/zinc/71/53/02/344715302.db2.gz NGRCCPGVJZEIIQ-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CS[C@H]1CCC[C@H]1N1CN=NC1=S ZINC000235076614 344764240 /nfs/dbraw/zinc/76/42/40/344764240.db2.gz ZHYDAEOTSROASL-RQJHMYQMSA-N 0 0 215.347 2.023 10 0 BEAERN Cc1ccc(NC(=O)CC[C@@H](C)O)cc1C ZINC000049818398 178724198 /nfs/dbraw/zinc/72/41/98/178724198.db2.gz ANEOKZIZEBLKFW-LLVKDONJSA-N 0 0 221.300 2.403 10 0 BEAERN NC(=S)c1ccncc1NCc1ccccc1 ZINC000135631194 344809964 /nfs/dbraw/zinc/80/99/64/344809964.db2.gz BQSFJPJEYKGKEA-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN CCOC(=O)c1nc([C@@H]2C[C@H]2C)ncc1C ZINC000300852979 537865770 /nfs/dbraw/zinc/86/57/70/537865770.db2.gz BJPQZRPYSYZLHS-VXNVDRBHSA-N 0 0 220.272 2.085 10 0 BEAERN Cc1cc(I)ccc1CO ZINC000144172178 344826541 /nfs/dbraw/zinc/82/65/41/344826541.db2.gz ZUAXUTNNVPJHFN-UHFFFAOYSA-N 0 0 248.063 2.092 10 0 BEAERN CS[C@H]1CCC[C@H]([NH+]2CCC(=O)CC2)C1 ZINC000235190789 344841639 /nfs/dbraw/zinc/84/16/39/344841639.db2.gz FNMIOEMWSJDBIL-JQWIXIFHSA-N 0 0 227.373 2.326 10 0 BEAERN C[C@H]1CC=C([C@@](O)(CO)C(F)(F)F)CC1 ZINC000675053337 537864537 /nfs/dbraw/zinc/86/45/37/537864537.db2.gz MWPAGBGGEZSMNG-CBAPKCEASA-N 0 0 224.222 2.019 10 0 BEAERN C[C@H]1CC=C([C@](O)(CO)C(F)(F)F)CC1 ZINC000675053339 537864622 /nfs/dbraw/zinc/86/46/22/537864622.db2.gz MWPAGBGGEZSMNG-IONNQARKSA-N 0 0 224.222 2.019 10 0 BEAERN Cc1ccc(NC(=O)c2ccoc2)c(N)c1 ZINC000037064622 178752608 /nfs/dbraw/zinc/75/26/08/178752608.db2.gz XAFBXWWWIAKCLP-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN C[C@@H](O)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000235255927 344860964 /nfs/dbraw/zinc/86/09/64/344860964.db2.gz RKOJOEAGVIXUHG-ZCFIWIBFSA-N 0 0 233.094 2.486 10 0 BEAERN CSC1(Cn2cc(C)[nH]c2=S)CC1 ZINC000235237951 344852951 /nfs/dbraw/zinc/85/29/51/344852951.db2.gz DKKWTOUYJOJLCT-UHFFFAOYSA-N 0 0 214.359 2.376 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000119556797 344853540 /nfs/dbraw/zinc/85/35/40/344853540.db2.gz BHPSEETYFHFKKN-GHMZBOCLSA-N 0 0 231.295 2.282 10 0 BEAERN C[C@@H](NN)c1cccc(Br)c1F ZINC000235204750 344845124 /nfs/dbraw/zinc/84/51/24/344845124.db2.gz JBOBQAIPJOHKBE-RXMQYKEDSA-N 0 0 233.084 2.113 10 0 BEAERN Cc1ccc(S[C@H](C)[C@@H](C)O)cc1N ZINC000235325989 344884294 /nfs/dbraw/zinc/88/42/94/344884294.db2.gz CPZIASKOJFCEFJ-RKDXNWHRSA-N 0 0 211.330 2.439 10 0 BEAERN CC(F)(F)C(=O)C1=C(O)CCCCC1 ZINC000300931008 537868534 /nfs/dbraw/zinc/86/85/34/537868534.db2.gz WAGLMEDMDCPKGW-ZETCQYMHSA-N 0 0 204.216 2.360 10 0 BEAERN C[C@@H]1OCC[C@@H]1SCC1(O)CCCC1 ZINC000235298769 344876279 /nfs/dbraw/zinc/87/62/79/344876279.db2.gz VNGBCKSOBYFFKI-UWVGGRQHSA-N 0 0 216.346 2.202 10 0 BEAERN CC(C)c1nc(Cl)cc(=O)n1CC1CC1 ZINC000166377828 344879432 /nfs/dbraw/zinc/87/94/32/344879432.db2.gz SZOVCCUSTVFTSU-UHFFFAOYSA-N 0 0 226.707 2.430 10 0 BEAERN Cc1cc(N)cc(S[C@H](C)[C@@H](C)O)c1 ZINC000235317488 344882037 /nfs/dbraw/zinc/88/20/37/344882037.db2.gz HROBWPSTRPIBMB-RKDXNWHRSA-N 0 0 211.330 2.439 10 0 BEAERN CC(C)(C)n1cc(N)c(-c2nccs2)n1 ZINC000135754894 344883062 /nfs/dbraw/zinc/88/30/62/344883062.db2.gz SRTLMILANJQYOO-UHFFFAOYSA-N 0 0 222.317 2.344 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)c2cn(C)cn2)C1 ZINC000235321415 344886822 /nfs/dbraw/zinc/88/68/22/344886822.db2.gz DCTQZFWMRWAHHX-ZJUUUORDSA-N 0 0 206.289 2.429 10 0 BEAERN C[C@@H]1CC(=O)N(Cc2ccc(Cl)nc2)C1 ZINC000062816669 347084912 /nfs/dbraw/zinc/08/49/12/347084912.db2.gz MUYQCJDSAFFWAZ-MRVPVSSYSA-N 0 0 224.691 2.103 10 0 BEAERN Cc1ccc(NCc2ncc[nH]2)c(C)c1O ZINC000049715369 178768084 /nfs/dbraw/zinc/76/80/84/178768084.db2.gz RIQUORIHUZMJLP-UHFFFAOYSA-N 0 0 217.272 2.344 10 0 BEAERN COC(=O)[C@H](C)Nc1cccc(Cl)c1 ZINC000037955693 344912012 /nfs/dbraw/zinc/91/20/12/344912012.db2.gz LIOVEXPHVXAZCM-ZETCQYMHSA-N 0 0 213.664 2.313 10 0 BEAERN O=C(Cc1nccs1)c1ccncc1F ZINC000135816415 344898673 /nfs/dbraw/zinc/89/86/73/344898673.db2.gz HAXGDIIBAPUQPV-UHFFFAOYSA-N 0 0 222.244 2.103 10 0 BEAERN CC[C@@H]1CCN(c2nsnc2Cl)C1 ZINC000166490748 344907587 /nfs/dbraw/zinc/90/75/87/344907587.db2.gz VJBDBVSUCOXZMX-ZCFIWIBFSA-N 0 0 217.725 2.428 10 0 BEAERN Cc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1 ZINC000055421031 178775876 /nfs/dbraw/zinc/77/58/76/178775876.db2.gz VKRMNGVRZYHFTC-GFCCVEGCSA-N 0 0 232.327 2.418 10 0 BEAERN Cc1cc(-c2nc(CO)c[nH]2)c(C)s1 ZINC000062820640 347085282 /nfs/dbraw/zinc/08/52/82/347085282.db2.gz NKHVECNHUCUMSS-UHFFFAOYSA-N 0 0 208.286 2.247 10 0 BEAERN Cc1cnc(Cl)nc1S[C@@H](C)[C@H](C)O ZINC000235529140 344930493 /nfs/dbraw/zinc/93/04/93/344930493.db2.gz SRZLYYYAXBRBDN-BQBZGAKWSA-N 0 0 232.736 2.300 10 0 BEAERN c1nc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000124480289 187295579 /nfs/dbraw/zinc/29/55/79/187295579.db2.gz KIDYKOZBJSZDHM-NWDGAFQWSA-N 0 0 232.331 2.059 10 0 BEAERN C[C@@H]1CC(=O)N(Cc2cccnc2Cl)C1 ZINC000062816685 347085772 /nfs/dbraw/zinc/08/57/72/347085772.db2.gz ORIHWWFFQJVJKP-MRVPVSSYSA-N 0 0 224.691 2.103 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)C(C)(C)C)cc(=O)[nH]1 ZINC000133754394 344916365 /nfs/dbraw/zinc/91/63/65/344916365.db2.gz DDZMWWQTKFFGGB-SECBINFHSA-N 0 0 236.315 2.260 10 0 BEAERN C[C@H]1C(=O)N[C@@H]1c1cccc(Br)c1 ZINC000235457909 344917358 /nfs/dbraw/zinc/91/73/58/344917358.db2.gz ADOGPCQZFTXIBG-MUWHJKNJSA-N 0 0 240.100 2.256 10 0 BEAERN C[C@H](O)C(=O)c1cccc(Br)c1F ZINC000235544087 344937469 /nfs/dbraw/zinc/93/74/69/344937469.db2.gz ARDINANCEZODPB-YFKPBYRVSA-N 0 0 247.063 2.152 10 0 BEAERN C[C@H]1C[C@@H]1CNc1ncc(N)cc1Cl ZINC000235609594 344953563 /nfs/dbraw/zinc/95/35/63/344953563.db2.gz LMRMQJNOCIXESG-NKWVEPMBSA-N 0 0 211.696 2.385 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1c(Cl)ncnc1Cl ZINC000235611081 344955221 /nfs/dbraw/zinc/95/52/21/344955221.db2.gz FBNBTQXWJNQQPR-WHFBIAKZSA-N 0 0 246.097 2.378 10 0 BEAERN CC1(C)C[C@@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000061519053 344955530 /nfs/dbraw/zinc/95/55/30/344955530.db2.gz AUOZWQPGLIAHIW-BYPYZUCNSA-N 0 0 233.102 2.389 10 0 BEAERN O=C(Cc1cncs1)c1ccc(F)cn1 ZINC000166730056 344975214 /nfs/dbraw/zinc/97/52/14/344975214.db2.gz SEPOICFAPCNBPD-UHFFFAOYSA-N 0 0 222.244 2.103 10 0 BEAERN COc1cc2[nH]nc(Cl)c2c(OC)c1 ZINC000166611461 344939964 /nfs/dbraw/zinc/93/99/64/344939964.db2.gz SRSXNBRISBYBEG-UHFFFAOYSA-N 0 0 212.636 2.234 10 0 BEAERN Cc1cnc(Cl)nc1S[C@H](C)[C@H](C)O ZINC000235569330 344945002 /nfs/dbraw/zinc/94/50/02/344945002.db2.gz SRZLYYYAXBRBDN-NKWVEPMBSA-N 0 0 232.736 2.300 10 0 BEAERN C[C@H]1C[C@@H]1Nc1snc(N)c1C1CC1 ZINC000235582741 344947825 /nfs/dbraw/zinc/94/78/25/344947825.db2.gz JUCSGXZXNBMXOH-FSPLSTOPSA-N 0 0 209.318 2.423 10 0 BEAERN CCOC(=O)c1csc(=O)n1C[C@@H](C)CC ZINC000128083351 187297578 /nfs/dbraw/zinc/29/75/78/187297578.db2.gz PGBBBIAZRIIKMB-QMMMGPOBSA-N 0 0 243.328 2.133 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1cnccc1Cl ZINC000166655466 344951712 /nfs/dbraw/zinc/95/17/12/344951712.db2.gz VCYDRRUODVSAPG-APPZFPTMSA-N 0 0 212.680 2.324 10 0 BEAERN CC1(C)OC[C@H](COC(=O)C2CCCCC2)O1 ZINC000132916861 187298756 /nfs/dbraw/zinc/29/87/56/187298756.db2.gz BCIBZTROGYDQHM-NSHDSACASA-N 0 0 242.315 2.261 10 0 BEAERN O=C(NCc1ccccc1)c1cc(O)ccc1O ZINC000224745008 344985802 /nfs/dbraw/zinc/98/58/02/344985802.db2.gz IPHYEANULIQJIU-UHFFFAOYSA-N 0 0 243.262 2.028 10 0 BEAERN CN(C1CCCC1)C1N=NC(=S)S1 ZINC000044241791 344992177 /nfs/dbraw/zinc/99/21/77/344992177.db2.gz INZLKOZDAIFDRT-UHFFFAOYSA-N 0 0 215.347 2.206 10 0 BEAERN O=C1C[C@@H](c2cc(Br)cs2)N1 ZINC000044256548 344995665 /nfs/dbraw/zinc/99/56/65/344995665.db2.gz SPMLJKJGPQEJTR-YFKPBYRVSA-N 0 0 232.102 2.072 10 0 BEAERN CCOC(=O)c1ccnc(C)c1Br ZINC000238269315 345005052 /nfs/dbraw/zinc/00/50/52/345005052.db2.gz WBWRDJSXYZKNLD-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN CC(C)(O)[C@@H](O)c1ccc(Cl)cc1 ZINC000145170884 345048048 /nfs/dbraw/zinc/04/80/48/345048048.db2.gz BQOWZQDMFDZXPU-VIFPVBQESA-N 0 0 200.665 2.144 10 0 BEAERN COc1ccc(OC(F)(F)F)nc1F ZINC000238384966 345037436 /nfs/dbraw/zinc/03/74/36/345037436.db2.gz FSSRNVCYDWDKRG-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cnc(C)c(OC(F)(F)F)c1 ZINC000238402129 345041624 /nfs/dbraw/zinc/04/16/24/345041624.db2.gz XUUNKHXWIDHYEL-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN Cc1cc(C=O)c(OC(F)(F)F)cn1 ZINC000238462681 345053409 /nfs/dbraw/zinc/05/34/09/345053409.db2.gz SXWAUQZCAYPHBW-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN COc1c(F)nccc1OC(F)(F)F ZINC000238413918 345043301 /nfs/dbraw/zinc/04/33/01/345043301.db2.gz CCZDXKFGPGAMAZ-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN Cc1ccc([C@H]2CNC(=O)C2)c(Cl)c1 ZINC000238545394 345074304 /nfs/dbraw/zinc/07/43/04/345074304.db2.gz JJEQRWYPGKNIMO-MRVPVSSYSA-N 0 0 209.676 2.252 10 0 BEAERN CCOC(=O)c1noc(C(CC)CC)n1 ZINC000071047606 537887211 /nfs/dbraw/zinc/88/72/11/537887211.db2.gz FUAXONPGOOJSDL-UHFFFAOYSA-N 0 0 212.249 2.150 10 0 BEAERN CCC[C@H]1CN(C(=O)OC(C)C)CCO1 ZINC000497195977 323083321 /nfs/dbraw/zinc/08/33/21/323083321.db2.gz XSVXOHZYICGTJO-JTQLQIEISA-N 0 0 215.293 2.032 10 0 BEAERN Cc1ccc(N2CC[C@@H](CO)C2)cc1Cl ZINC000011892897 345055699 /nfs/dbraw/zinc/05/56/99/345055699.db2.gz OZFMFTFJNDRWKP-SNVBAGLBSA-N 0 0 225.719 2.467 10 0 BEAERN Cc1ccc(Oc2ncncc2CO)c(C)c1 ZINC000020386320 178822169 /nfs/dbraw/zinc/82/21/69/178822169.db2.gz ORKCOJFYZGPPKS-UHFFFAOYSA-N 0 0 230.267 2.378 10 0 BEAERN c1ccc([C@@H]2C[C@@H]2Nc2cnccn2)cc1 ZINC000044416579 345059697 /nfs/dbraw/zinc/05/96/97/345059697.db2.gz RNOSOYOBMFQDEG-RYUDHWBXSA-N 0 0 211.268 2.445 10 0 BEAERN CCOC(=O)c1ccncc1OC(F)(F)F ZINC000385846456 345066336 /nfs/dbraw/zinc/06/63/36/345066336.db2.gz SFXRMWCEQUCAMU-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN CCCC[C@H](C(=O)OC)N1CCS[C@@H](C)C1 ZINC000221543760 259382067 /nfs/dbraw/zinc/38/20/67/259382067.db2.gz OZOZWMAQZZCPQZ-WDEREUQCSA-N 0 0 245.388 2.156 10 0 BEAERN Cc1ccc(S[C@@H](C)C(=O)N(C)C)c(N)c1 ZINC000037193195 178829663 /nfs/dbraw/zinc/82/96/63/178829663.db2.gz RPQHFTFYHROWNF-VIFPVBQESA-N 0 0 238.356 2.146 10 0 BEAERN OCc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238726734 345121638 /nfs/dbraw/zinc/12/16/38/345121638.db2.gz VSOUIOLQKZTUBQ-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Nc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238609264 345091406 /nfs/dbraw/zinc/09/14/06/345091406.db2.gz QBGTULZSCOPFTI-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN O=C1CCOc2c(Cl)c(F)ccc21 ZINC000238611556 345092118 /nfs/dbraw/zinc/09/21/18/345092118.db2.gz WQBBCQRKKLAEKW-UHFFFAOYSA-N 0 0 200.596 2.444 10 0 BEAERN NC(=O)c1cccc(OC(F)(F)F)c1Cl ZINC000238626068 345096580 /nfs/dbraw/zinc/09/65/80/345096580.db2.gz LGAWVZOERHRWQZ-UHFFFAOYSA-N 0 0 239.580 2.338 10 0 BEAERN Cc1ccc(S(=O)(=O)c2ccccn2)cc1 ZINC000005892233 178826704 /nfs/dbraw/zinc/82/67/04/178826704.db2.gz PRPHNXQPIJBYSW-UHFFFAOYSA-N 0 0 233.292 2.223 10 0 BEAERN OCc1nc(OC(F)(F)F)ccc1Cl ZINC000238654531 345102814 /nfs/dbraw/zinc/10/28/14/345102814.db2.gz QPQVTHKFCNKHIK-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN FC(F)c1nccnc1OC(F)(F)F ZINC000238657158 345103163 /nfs/dbraw/zinc/10/31/63/345103163.db2.gz PEHPSDXSWRQYMT-UHFFFAOYSA-N 0 0 214.093 2.313 10 0 BEAERN Clc1nccnc1NCC[C@@H]1CCCO1 ZINC000044511414 345103327 /nfs/dbraw/zinc/10/33/27/345103327.db2.gz UPSLBLWHDHZWNB-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc(Cl)n1 ZINC000052815083 187300388 /nfs/dbraw/zinc/30/03/88/187300388.db2.gz DPXFWWASAPSNOW-BDAKNGLRSA-N 0 0 241.722 2.154 10 0 BEAERN Cn1nc2ccc(C(F)(F)F)cc2c1N ZINC000145339608 345133738 /nfs/dbraw/zinc/13/37/38/345133738.db2.gz XMZKCCJDDDPDPJ-UHFFFAOYSA-N 0 0 215.178 2.174 10 0 BEAERN C[C@H](COCc1ccccc1)NCc1ccon1 ZINC000634965791 345138658 /nfs/dbraw/zinc/13/86/58/345138658.db2.gz TZUNFCOFKRXMML-GFCCVEGCSA-N 0 0 246.310 2.370 10 0 BEAERN Cc1nn(CCC(F)(F)Cl)c(C)c1N ZINC000402074565 537890363 /nfs/dbraw/zinc/89/03/63/537890363.db2.gz TUBMEVQEFNUJPH-UHFFFAOYSA-N 0 0 223.654 2.304 10 0 BEAERN CC(C)c1ncc(NC(=O)[C@@H]2CC[C@H](C)O2)cn1 ZINC000408330823 345188929 /nfs/dbraw/zinc/18/89/29/345188929.db2.gz KNUMHDXRYVYPHI-ONGXEEELSA-N 0 0 249.314 2.106 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(c2nc3ccccc3o2)C1 ZINC000335235733 345156837 /nfs/dbraw/zinc/15/68/37/345156837.db2.gz HQSHBAUUXSDERS-NXEZZACHSA-N 0 0 232.283 2.035 10 0 BEAERN CNc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC000127843925 345224701 /nfs/dbraw/zinc/22/47/01/345224701.db2.gz QYBNMRYAZRJWRY-UWVGGRQHSA-N 0 0 234.347 2.309 10 0 BEAERN C[C@@H]1CCCN1c1ncc(Cl)cc1N ZINC000148060442 345226047 /nfs/dbraw/zinc/22/60/47/345226047.db2.gz LAUDXQTYFKPGLS-SSDOTTSWSA-N 0 0 211.696 2.306 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccncn2)o1 ZINC000190696996 178836422 /nfs/dbraw/zinc/83/64/22/178836422.db2.gz GRBRGPSQHPJGMM-SECBINFHSA-N 0 0 246.270 2.261 10 0 BEAERN CON[C@H]1c2cc(Cl)ccc2O[C@H]1C ZINC000131250663 345295300 /nfs/dbraw/zinc/29/53/00/345295300.db2.gz OBPZUOMKDQQIDW-QUBYGPBYSA-N 0 0 213.664 2.313 10 0 BEAERN Nc1nn(C[C@@H]2CCCS2)cc1Cl ZINC000715884581 537893782 /nfs/dbraw/zinc/89/37/82/537893782.db2.gz VRIQYIOUAOBLQI-LURJTMIESA-N 0 0 217.725 2.014 10 0 BEAERN CCc1ccsc1C(=O)N[C@@H](C)[C@H](C)CO ZINC000131803938 345309215 /nfs/dbraw/zinc/30/92/15/345309215.db2.gz CBUQIPSRORVQEA-BDAKNGLRSA-N 0 0 241.356 2.057 10 0 BEAERN COC[C@@H](C)CNc1ccc2c(c1)CCC(=O)N2 ZINC000131832583 345309713 /nfs/dbraw/zinc/30/97/13/345309713.db2.gz VZSGTJJPIDTLFJ-JTQLQIEISA-N 0 0 248.326 2.266 10 0 BEAERN O=C(NC1CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000158258628 345312720 /nfs/dbraw/zinc/31/27/20/345312720.db2.gz JALKDWGNJSSSCF-VXGBXAGGSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1ccc([C@@H](C)O)c(OCCn2cccn2)c1 ZINC000104335329 178852230 /nfs/dbraw/zinc/85/22/30/178852230.db2.gz INSVGNHTYBXFIF-GFCCVEGCSA-N 0 0 246.310 2.324 10 0 BEAERN Cc1ccc(-c2nn[nH]n2)c(OC2CCCC2)c1 ZINC000408494440 345377650 /nfs/dbraw/zinc/37/76/50/345377650.db2.gz QORCRAYERGRGBO-UHFFFAOYSA-N 0 0 244.298 2.497 10 0 BEAERN COc1cc(C(C)=O)c(N)c(C(F)(F)F)c1 ZINC000390316926 345379537 /nfs/dbraw/zinc/37/95/37/345379537.db2.gz HKOQKWIJMQHOMU-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CC(C)CONCCCNC(=O)OC(C)(C)C ZINC000133752323 345385979 /nfs/dbraw/zinc/38/59/79/345385979.db2.gz FKXCLNFUCQYSLK-UHFFFAOYSA-N 0 0 246.351 2.078 10 0 BEAERN N#Cc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000166757413 345329374 /nfs/dbraw/zinc/32/93/74/345329374.db2.gz FFTVQBLIMPVHDB-UHFFFAOYSA-N 0 0 245.007 2.368 10 0 BEAERN Cc1cc(N[C@H]2CCO[C@H]2C)nc(Cl)n1 ZINC000134582718 345416138 /nfs/dbraw/zinc/41/61/38/345416138.db2.gz OEUKNNJWGKYQEK-YUMQZZPRSA-N 0 0 227.695 2.028 10 0 BEAERN CC[C@@H](N[C@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974228 345427618 /nfs/dbraw/zinc/42/76/18/345427618.db2.gz BDRVDOLXPHAMQB-UONOGXRCSA-N 0 0 247.338 2.085 10 0 BEAERN CN(C)NCc1cc(Br)ccc1F ZINC000134044690 345396827 /nfs/dbraw/zinc/39/68/27/345396827.db2.gz CAWUOCAZPBPMCO-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN CN1c2cccc(C(F)(F)F)c2CC1=O ZINC000200183839 345503870 /nfs/dbraw/zinc/50/38/70/345503870.db2.gz CFRZJKHSJCPYSJ-UHFFFAOYSA-N 0 0 215.174 2.224 10 0 BEAERN COC(=O)c1ccccc1NC(=O)C1CC(C)C1 ZINC000084738449 345521821 /nfs/dbraw/zinc/52/18/21/345521821.db2.gz GXHRPHCDSANZSD-UHFFFAOYSA-N 0 0 247.294 2.458 10 0 BEAERN C[C@@H](CNc1ncccn1)Nc1ccccc1 ZINC000084927989 345529901 /nfs/dbraw/zinc/52/99/01/345529901.db2.gz WAENBXJCLVMYLY-NSHDSACASA-N 0 0 228.299 2.389 10 0 BEAERN CC1CC(C(=O)Nc2ccc(CCO)cc2)C1 ZINC000084964586 345530303 /nfs/dbraw/zinc/53/03/03/345530303.db2.gz IJLOFAZWFPRAPV-UHFFFAOYSA-N 0 0 233.311 2.206 10 0 BEAERN C[C@H](C[C@H](O)c1cn[nH]c1)CC(F)(F)F ZINC000402842987 537898564 /nfs/dbraw/zinc/89/85/64/537898564.db2.gz ZXHCBASNTSEGIK-SVRRBLITSA-N 0 0 222.210 2.422 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cc[nH]n1 ZINC000616691856 345549856 /nfs/dbraw/zinc/54/98/56/345549856.db2.gz QNBRIMMIIVFIGU-GFCCVEGCSA-N 0 0 214.272 2.013 10 0 BEAERN C[C@@H](Nc1nnc(C2CC2)s1)[C@@H]1CCCO1 ZINC000091426644 345592170 /nfs/dbraw/zinc/59/21/70/345592170.db2.gz JGQPTQZMCHMFEU-APPZFPTMSA-N 0 0 239.344 2.395 10 0 BEAERN CC[C@@H](Cn1cc(N)cn1)CC(F)(F)F ZINC000402748392 537898850 /nfs/dbraw/zinc/89/88/50/537898850.db2.gz UQAYZPURKSJAOV-SSDOTTSWSA-N 0 0 221.226 2.444 10 0 BEAERN Cc1cc(N)nn1C[C@@H](C)CC(F)(F)F ZINC000402804971 537899326 /nfs/dbraw/zinc/89/93/26/537899326.db2.gz ZOVPUJKFLGCTEC-LURJTMIESA-N 0 0 221.226 2.193 10 0 BEAERN CSc1ccc(NCc2ncoc2C)nn1 ZINC000092689651 345636073 /nfs/dbraw/zinc/63/60/73/345636073.db2.gz WDWKRLVFIYPTQY-UHFFFAOYSA-N 0 0 236.300 2.107 10 0 BEAERN CCCN(C[C@@H]1CCCCO1)C(=O)CC ZINC000106695457 187308136 /nfs/dbraw/zinc/30/81/36/187308136.db2.gz BRRUNKOYQZTWSD-NSHDSACASA-N 0 0 213.321 2.204 10 0 BEAERN Cc1ccc([C@H](N)C(F)(F)F)cc1N ZINC000072191424 178907340 /nfs/dbraw/zinc/90/73/40/178907340.db2.gz IIWTZVXNMGIGHX-QMMMGPOBSA-N 0 0 204.195 2.139 10 0 BEAERN CC(C)(C)OC(=O)N1CCCC[C@H](CO)C1 ZINC000117947240 345677962 /nfs/dbraw/zinc/67/79/62/345677962.db2.gz GTUZRHLZQZWTGH-JTQLQIEISA-N 0 0 229.320 2.016 10 0 BEAERN C[C@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000253605742 345692126 /nfs/dbraw/zinc/69/21/26/345692126.db2.gz BHBUOQLEZBJNCL-KOLCDFICSA-N 0 0 222.288 2.015 10 0 BEAERN C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C)C1CCOCC1 ZINC000219592618 345745990 /nfs/dbraw/zinc/74/59/90/345745990.db2.gz ZEUXPEMAXNPKSS-GRYCIOLGSA-N 0 0 239.359 2.449 10 0 BEAERN COc1ccc(Oc2ncccn2)cc1 ZINC000082004964 345750958 /nfs/dbraw/zinc/75/09/58/345750958.db2.gz PCXMEZOZUXMRAA-UHFFFAOYSA-N 0 0 202.213 2.278 10 0 BEAERN O[C@]12CCOC[C@@H]1CCC[C@H]2Nc1ccccc1 ZINC000112925307 345752960 /nfs/dbraw/zinc/75/29/60/345752960.db2.gz IHJISCBKQQXUJJ-NWANDNLSSA-N 0 0 247.338 2.419 10 0 BEAERN COC(=O)[C@H](C)N(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000113562994 345754391 /nfs/dbraw/zinc/75/43/91/345754391.db2.gz VSJNWVCUBPAENV-QWRGUYRKSA-N 0 0 246.310 2.113 10 0 BEAERN Nc1cc(Cl)ccc1O[C@@H]1CC[C@H](CO)C1 ZINC000113653902 345754576 /nfs/dbraw/zinc/75/45/76/345754576.db2.gz INIORSSITPVKJU-WCBMZHEXSA-N 0 0 241.718 2.462 10 0 BEAERN Cn1nc(C(F)F)c(C(=O)Cl)c1Cl ZINC000113838541 345755143 /nfs/dbraw/zinc/75/51/43/345755143.db2.gz CHYVHFOEFHHBJB-UHFFFAOYSA-N 0 0 229.013 2.390 10 0 BEAERN COC(=O)C1=C(O)CCc2cc(OC)ccc21 ZINC000114162503 345755616 /nfs/dbraw/zinc/75/56/16/345755616.db2.gz FTOBYMIPECACHZ-UHFFFAOYSA-N 0 0 234.251 2.084 10 0 BEAERN O=Cc1ccc(COc2ccccc2)nc1 ZINC000113991749 345755907 /nfs/dbraw/zinc/75/59/07/345755907.db2.gz YQEBGNWZHALDFK-UHFFFAOYSA-N 0 0 213.236 2.473 10 0 BEAERN COc1cccc(OC)c1C[C@@H](C)C=O ZINC000162352893 345713908 /nfs/dbraw/zinc/71/39/08/345713908.db2.gz DVOGSCUAHMIHRH-SECBINFHSA-N 0 0 208.257 2.081 10 0 BEAERN COC(=O)c1ccc(-c2ccc(N)nc2C)cc1 ZINC000082730179 345714449 /nfs/dbraw/zinc/71/44/49/345714449.db2.gz LXZVISVDXTUWJK-UHFFFAOYSA-N 0 0 242.278 2.426 10 0 BEAERN CC1(C)CCCC(C(=O)C(F)F)=C1O ZINC000124576557 537908076 /nfs/dbraw/zinc/90/80/76/537908076.db2.gz RUVYCEUPYOHIJQ-ZCFIWIBFSA-N 0 0 204.216 2.216 10 0 BEAERN O=Cc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC000206754239 345758017 /nfs/dbraw/zinc/75/80/17/345758017.db2.gz XQKLMWGHJOCIGD-ONEGZZNKSA-N 0 0 211.604 2.400 10 0 BEAERN CC(C)[C@@H]1OC(=O)[C@H](c2ccccc2)O1 ZINC000032133305 345726033 /nfs/dbraw/zinc/72/60/33/345726033.db2.gz IYMQCSUOAPQTQT-JQWIXIFHSA-N 0 0 206.241 2.283 10 0 BEAERN COC(=O)c1nccc2cc(OC)ccc21 ZINC000082767228 345726896 /nfs/dbraw/zinc/72/68/96/345726896.db2.gz ISQRCNFIXHNOPI-UHFFFAOYSA-N 0 0 217.224 2.030 10 0 BEAERN CC1(C)CCc2cccc3c2N1CC[NH2+]C3 ZINC000207714590 345758793 /nfs/dbraw/zinc/75/87/93/345758793.db2.gz NBMFBQZMZRXHHA-UHFFFAOYSA-N 0 0 216.328 2.321 10 0 BEAERN COC(=O)C1=C(O)[C@@H](c2ccccc2)CCC1 ZINC000168771153 345822871 /nfs/dbraw/zinc/82/28/71/345822871.db2.gz SZKVDOPDAHZUIS-NEPJUHHUSA-N 0 0 232.279 2.312 10 0 BEAERN C=C(C(=O)OCC)c1cccc(OC)c1 ZINC000167954420 345806460 /nfs/dbraw/zinc/80/64/60/345806460.db2.gz QDWPCMKSPRZOSC-UHFFFAOYSA-N 0 0 206.241 2.272 10 0 BEAERN NNC1c2ccccc2Cc2ccccc21 ZINC000061669904 345808650 /nfs/dbraw/zinc/80/86/50/345808650.db2.gz CXRUSJBBSJMWBH-UHFFFAOYSA-N 0 0 210.280 2.144 10 0 BEAERN C#CCOc1cc(NN)c(Cl)cc1Cl ZINC000168613135 345817085 /nfs/dbraw/zinc/81/70/85/345817085.db2.gz XQSIJJCWNREMBJ-UHFFFAOYSA-N 0 0 231.082 2.291 10 0 BEAERN Cc1nc(C)c(CO)c(-c2ccc(F)cc2)n1 ZINC000034307680 345820871 /nfs/dbraw/zinc/82/08/71/345820871.db2.gz SCHORJUPKGSJKD-UHFFFAOYSA-N 0 0 232.258 2.392 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)N1CCC(=O)Nc2ccccc21 ZINC000118618665 345770759 /nfs/dbraw/zinc/77/07/59/345770759.db2.gz DFDGQADQNRHGNB-UWVGGRQHSA-N 0 0 244.294 2.018 10 0 BEAERN Cn1nccc1-c1ccc(C=O)c(F)c1 ZINC000069020256 345779307 /nfs/dbraw/zinc/77/93/07/345779307.db2.gz YMRSVRPFNSTFMS-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN C[C@@H]1CCn2cc([C@H]3CCCC[NH2+]3)nc2C1 ZINC000258142951 345780107 /nfs/dbraw/zinc/78/01/07/345780107.db2.gz DDPRCFAYPXNLIP-GHMZBOCLSA-N 0 0 219.332 2.280 10 0 BEAERN CCOC(=O)[C@@H]1CCc2cc(C=O)ccc2C1 ZINC000164566417 345782934 /nfs/dbraw/zinc/78/29/34/345782934.db2.gz QISLKPPSINIAOI-CYBMUJFWSA-N 0 0 232.279 2.167 10 0 BEAERN O=C1OCCN1Cc1nc(Cl)ccc1Cl ZINC000061638605 345785896 /nfs/dbraw/zinc/78/58/96/345785896.db2.gz DFWKBTSHVYGDPY-UHFFFAOYSA-N 0 0 247.081 2.341 10 0 BEAERN C[C@@H]1C(=O)N[C@H]1c1cccc(Br)c1 ZINC000235711115 345792620 /nfs/dbraw/zinc/79/26/20/345792620.db2.gz ADOGPCQZFTXIBG-IMTBSYHQSA-N 0 0 240.100 2.256 10 0 BEAERN O[C@@H]1/C(=C\c2ccccc2)[NH+]2CCC1CC2 ZINC000033477293 345799336 /nfs/dbraw/zinc/79/93/36/345799336.db2.gz XCJLSGXSDDYLKZ-UELRPHRMSA-N 0 0 215.296 2.114 10 0 BEAERN C[C@H]1Cn2nccc2CN1C(=O)OC(C)(C)C ZINC000307608357 345845804 /nfs/dbraw/zinc/84/58/04/345845804.db2.gz DMKHMDWQRSPOAU-VIFPVBQESA-N 0 0 237.303 2.022 10 0 BEAERN COc1ccc([C@H](O)C(C)(C)C)c(O)c1 ZINC000169391196 345846284 /nfs/dbraw/zinc/84/62/84/345846284.db2.gz VRQYFXMGWBYZMX-NSHDSACASA-N 0 0 210.273 2.480 10 0 BEAERN CCN(CC)c1ccc(C(=O)COC(C)=O)cc1 ZINC000035086935 345849357 /nfs/dbraw/zinc/84/93/57/345849357.db2.gz FVJJTBMRQLWBQG-UHFFFAOYSA-N 0 0 249.310 2.279 10 0 BEAERN Cn1ccc2ccc(N3CCOCC3)cc21 ZINC000140004435 345850380 /nfs/dbraw/zinc/85/03/80/345850380.db2.gz IFXLDDZGCJLLLR-UHFFFAOYSA-N 0 0 216.284 2.015 10 0 BEAERN CC1(C)OC[C@@H](CCCCCCO)O1 ZINC000137901624 345850422 /nfs/dbraw/zinc/85/04/22/345850422.db2.gz KDRCNBWIQROQAZ-SNVBAGLBSA-N 0 0 202.294 2.081 10 0 BEAERN CC(C)(C)OC(=O)c1ccc2[nH]c(N)nc2c1 ZINC000141821853 345851226 /nfs/dbraw/zinc/85/12/26/345851226.db2.gz SXEIINBWQHDSBT-UHFFFAOYSA-N 0 0 233.271 2.100 10 0 BEAERN Nc1cc(-c2ccccn2)nc2ccncc12 ZINC000140110807 345852126 /nfs/dbraw/zinc/85/21/26/345852126.db2.gz WYCRXAYDWPNTSD-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN CC(C)(C)OC(=O)COc1ccc(NC#N)cc1 ZINC000219016141 345855789 /nfs/dbraw/zinc/85/57/89/345855789.db2.gz DTSABFGUGPRPDU-UHFFFAOYSA-N 0 0 248.282 2.300 10 0 BEAERN CCOC(=O)c1ccn2cc(C(C)C)nc2n1 ZINC000221745374 345864462 /nfs/dbraw/zinc/86/44/62/345864462.db2.gz HWNCCVZFLXBDHN-UHFFFAOYSA-N 0 0 233.271 2.029 10 0 BEAERN O=C1Cc2cc(C3CCCC3)ccc2C(=O)N1 ZINC000140877445 345858476 /nfs/dbraw/zinc/85/84/76/345858476.db2.gz TXPBTGGQHKDWMS-UHFFFAOYSA-N 0 0 229.279 2.157 10 0 BEAERN O=C1CC[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000219597923 345859509 /nfs/dbraw/zinc/85/95/09/345859509.db2.gz KVGZXTCNKHHTDH-SECBINFHSA-N 0 0 240.646 2.199 10 0 BEAERN C[C@@H](O)c1cc(-c2cncnc2)c(F)cc1F ZINC000219745141 345860067 /nfs/dbraw/zinc/86/00/67/345860067.db2.gz IZAZDUDYPKZDOM-SSDOTTSWSA-N 0 0 236.221 2.475 10 0 BEAERN COC(=O)c1ccc2cc(CCCO)oc2c1 ZINC000141427645 345860703 /nfs/dbraw/zinc/86/07/03/345860703.db2.gz HVHOEFIJGBMBNX-UHFFFAOYSA-N 0 0 234.251 2.144 10 0 BEAERN O=C1c2cncc(Br)c2CC[C@H]1F ZINC000220323215 345861213 /nfs/dbraw/zinc/86/12/13/345861213.db2.gz DLAKZENORYZENU-MRVPVSSYSA-N 0 0 244.063 2.311 10 0 BEAERN CC[C@@H](c1cccc(OC)c1)[C@@H](C)C(N)=O ZINC000142994674 345864678 /nfs/dbraw/zinc/86/46/78/345864678.db2.gz AZEXVSVYZMTFAA-BXKDBHETSA-N 0 0 221.300 2.310 10 0 BEAERN COc1cnc(F)c2ccc(N(C)C)cc12 ZINC000142167582 345862213 /nfs/dbraw/zinc/86/22/13/345862213.db2.gz GYUPQOFAXZIZBR-UHFFFAOYSA-N 0 0 220.247 2.449 10 0 BEAERN Cc1cc(I)c(O)c(C)n1 ZINC000142472784 345862964 /nfs/dbraw/zinc/86/29/64/345862964.db2.gz GFUCUGWCDIRBTR-UHFFFAOYSA-N 0 0 249.051 2.009 10 0 BEAERN COC(=O)/C=C1\CCOc2cc(OC)ccc21 ZINC000034416844 345828749 /nfs/dbraw/zinc/82/87/49/345828749.db2.gz UZYKKNUSBVHPGX-VQHVLOKHSA-N 0 0 234.251 2.034 10 0 BEAERN COC(=O)C[C@@H]1CCc2cc(OC)ccc2C1 ZINC000034506527 345830194 /nfs/dbraw/zinc/83/01/94/345830194.db2.gz MMAQDOZPRPEZOU-SNVBAGLBSA-N 0 0 234.295 2.363 10 0 BEAERN CC(C)C[C@]1(C)c2ccccc2C(=O)NC1=O ZINC000034542741 345830709 /nfs/dbraw/zinc/83/07/09/345830709.db2.gz OCWVLWIJJJHUSM-CQSZACIVSA-N 0 0 231.295 2.260 10 0 BEAERN CCOC(=O)c1ccc(C)cc1C(=O)OCC ZINC000034558029 345831528 /nfs/dbraw/zinc/83/15/28/345831528.db2.gz VMODTUAZZAIDGU-UHFFFAOYSA-N 0 0 236.267 2.348 10 0 BEAERN COC(=O)CCC[C@H](O)c1ccccc1 ZINC000034428135 345833024 /nfs/dbraw/zinc/83/30/24/345833024.db2.gz HOGIOKMCGZJACN-NSHDSACASA-N 0 0 208.257 2.063 10 0 BEAERN CC[C@@H](O)c1cccc([C@@H](C)C(=O)OC)c1 ZINC000034583807 345834116 /nfs/dbraw/zinc/83/41/16/345834116.db2.gz CJIRFIYALFHUJR-BXKDBHETSA-N 0 0 222.284 2.407 10 0 BEAERN NC(=O)c1oc2c(ccc3ccccc23)c1N ZINC000136984832 345835085 /nfs/dbraw/zinc/83/50/85/345835085.db2.gz NMFXGIIFZYOAGK-UHFFFAOYSA-N 0 0 226.235 2.267 10 0 BEAERN Oc1ccc(CC[C@@H](O)c2ccccn2)c(O)c1 ZINC000137128796 345837982 /nfs/dbraw/zinc/83/79/82/345837982.db2.gz GWAXIWCEVQESSU-CYBMUJFWSA-N 0 0 245.278 2.159 10 0 BEAERN COC(=O)[C@@H](OC)c1ccc(Cl)cc1 ZINC000034619894 345838413 /nfs/dbraw/zinc/83/84/13/345838413.db2.gz ZZWOTPLSVZUQLV-VIFPVBQESA-N 0 0 214.648 2.201 10 0 BEAERN COC(=O)[C@H](OC)c1ccc(Cl)cc1 ZINC000034619896 345838453 /nfs/dbraw/zinc/83/84/53/345838453.db2.gz ZZWOTPLSVZUQLV-SECBINFHSA-N 0 0 214.648 2.201 10 0 BEAERN CCCC[C@H](CC)CSC[C@H](O)CO ZINC000086660553 535012078 /nfs/dbraw/zinc/01/20/78/535012078.db2.gz WZQWSWMEERVFPL-WDEREUQCSA-N 0 0 220.378 2.289 10 0 BEAERN Cc1cc(Cl)ccc1-n1cc(C=O)nn1 ZINC000085272294 345929735 /nfs/dbraw/zinc/92/97/35/345929735.db2.gz DHAAXCXZSIWUQV-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cc1ccnc(Cl)c1NC(=O)C(F)F ZINC000235808295 345915639 /nfs/dbraw/zinc/91/56/39/345915639.db2.gz KVBMQEPIWGYAIH-UHFFFAOYSA-N 0 0 220.606 2.247 10 0 BEAERN C[C@@]1(c2cc(Cl)cnc2N)CCC(=O)C1 ZINC000166873788 345924598 /nfs/dbraw/zinc/92/45/98/345924598.db2.gz FZESXRNMPOCTHO-LLVKDONJSA-N 0 0 224.691 2.328 10 0 BEAERN CC1(C)CCCC[C@@H]1C(=O)NCC1CC(O)C1 ZINC000226624885 323099111 /nfs/dbraw/zinc/09/91/11/323099111.db2.gz IMGSDKWOGINQGS-HTAVTVPLSA-N 0 0 239.359 2.090 10 0 BEAERN Cc1cc(-c2nc(Br)no2)ccn1 ZINC000235871078 345956027 /nfs/dbraw/zinc/95/60/27/345956027.db2.gz ISDSOBLOQBFPQP-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN Nc1ncc(Br)cc1C(F)F ZINC000146133565 345956284 /nfs/dbraw/zinc/95/62/84/345956284.db2.gz CSAQTTOMTJSVQE-UHFFFAOYSA-N 0 0 223.020 2.364 10 0 BEAERN Cc1csc(C(=O)N2CC=CCN2)c1Cl ZINC000628221383 345958026 /nfs/dbraw/zinc/95/80/26/345958026.db2.gz GCGKBPDOQZTVHE-UHFFFAOYSA-N 0 0 242.731 2.227 10 0 BEAERN CC(C)CC1(C(=O)N2CC=CCN2)CCCC1 ZINC000628222855 345962668 /nfs/dbraw/zinc/96/26/68/345962668.db2.gz IKTHMOSEUMZXQP-UHFFFAOYSA-N 0 0 236.359 2.496 10 0 BEAERN C[C@H](O)c1cc(=O)c(OCc2ccccc2)co1 ZINC000307741978 345933095 /nfs/dbraw/zinc/93/30/95/345933095.db2.gz SVIUYJBFHLQNJO-JTQLQIEISA-N 0 0 246.262 2.272 10 0 BEAERN CCOc1ccccc1-c1cc(N)nc(C)n1 ZINC000088677161 345945182 /nfs/dbraw/zinc/94/51/82/345945182.db2.gz NCLYZWVNKZRVTR-UHFFFAOYSA-N 0 0 229.283 2.433 10 0 BEAERN Cc1cc(C(=O)CC2OCCO2)cs1 ZINC000235839276 345945196 /nfs/dbraw/zinc/94/51/96/345945196.db2.gz CTAJMNNEBINCFF-UHFFFAOYSA-N 0 0 212.270 2.002 10 0 BEAERN Cc1cc(N)nn1CCCC(C)(F)F ZINC000718692621 537925204 /nfs/dbraw/zinc/92/52/04/537925204.db2.gz QVHKANKHEHLCPS-UHFFFAOYSA-N 0 0 203.236 2.209 10 0 BEAERN COc1cc(-c2cncc(N)c2C)ccn1 ZINC000722747571 537929813 /nfs/dbraw/zinc/92/98/13/537929813.db2.gz AUJJHGMMENPFSM-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN O=Cc1cn(Cc2cccc3ccccc32)nn1 ZINC000090294969 345966750 /nfs/dbraw/zinc/96/67/50/345966750.db2.gz FBPJMWVNWAXIQB-UHFFFAOYSA-N 0 0 237.262 2.292 10 0 BEAERN CC(C)N1CC(C)(C)N[C@H]1c1ccco1 ZINC000019319895 187313527 /nfs/dbraw/zinc/31/35/27/187313527.db2.gz LFZRIMVPGHCLNP-LLVKDONJSA-N 0 0 208.305 2.370 10 0 BEAERN CC(=O)c1c(Br)nc2sccn21 ZINC000096984921 187363361 /nfs/dbraw/zinc/36/33/61/187363361.db2.gz SPDMQLYONXRQLK-UHFFFAOYSA-N 0 0 245.101 2.361 10 0 BEAERN CCOCc1cccc(Br)n1 ZINC000148345259 346034902 /nfs/dbraw/zinc/03/49/02/346034902.db2.gz OOEOGAIXBMGXAP-UHFFFAOYSA-N 0 0 216.078 2.381 10 0 BEAERN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1O ZINC000200404002 346061024 /nfs/dbraw/zinc/06/10/24/346061024.db2.gz MHWOGQIKSLLULM-NSHDSACASA-N 0 0 235.283 2.428 10 0 BEAERN Cc1ccc2nc(C(=O)n3ccnc3)ccc2c1 ZINC000073711796 178973293 /nfs/dbraw/zinc/97/32/93/178973293.db2.gz WCWURCNSTVMZND-UHFFFAOYSA-N 0 0 237.262 2.428 10 0 BEAERN Fc1c[nH]c2nc(Br)ccc12 ZINC000096320840 346112207 /nfs/dbraw/zinc/11/22/07/346112207.db2.gz MABVHZBCRIAKEJ-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Fc1c[nH]c2cc(Br)cnc12 ZINC000096320848 346112347 /nfs/dbraw/zinc/11/23/47/346112347.db2.gz OBZBIXACBUFGEI-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Fc1c[nH]c2cnc(Br)cc12 ZINC000096320892 346112370 /nfs/dbraw/zinc/11/23/70/346112370.db2.gz RXSXOHDBLOWJFH-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Cc1cc2cc(Br)c(N)nc2[nH]1 ZINC000096321096 346112739 /nfs/dbraw/zinc/11/27/39/346112739.db2.gz RMWMJGCOLFCRNF-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN NN=c1[nH]c2c(s1)c(Cl)ccc2F ZINC000096321304 346112996 /nfs/dbraw/zinc/11/29/96/346112996.db2.gz TZQMPOWOKJOZLF-UHFFFAOYSA-N 0 0 217.656 2.374 10 0 BEAERN CC[C@H](C)OCn1cc(Br)c(N)n1 ZINC000308164562 537949429 /nfs/dbraw/zinc/94/94/29/537949429.db2.gz YTYVSLGVMPQKKB-LURJTMIESA-N 0 0 248.124 2.000 10 0 BEAERN Cc1cncc(C2N=NC(=S)S2)c1 ZINC000235932370 346171984 /nfs/dbraw/zinc/17/19/84/346171984.db2.gz COQUJCLDFPVVAI-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Cc1nc(C(=O)c2ccc(N)cc2)cs1 ZINC000235948694 346174158 /nfs/dbraw/zinc/17/41/58/346174158.db2.gz YEMCUJIZGJCUPF-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN Cc1cccc(C[C@H](O)C(F)(F)F)c1 ZINC000061893904 346174660 /nfs/dbraw/zinc/17/46/60/346174660.db2.gz QYVZZEJSAXDSFV-VIFPVBQESA-N 0 0 204.191 2.461 10 0 BEAERN CCc1csc(NCc2cn[nH]c2)n1 ZINC000061894478 346175001 /nfs/dbraw/zinc/17/50/01/346175001.db2.gz SLIDNZDPCWUBEW-UHFFFAOYSA-N 0 0 208.290 2.041 10 0 BEAERN Cc1cnc(Cl)c(N[C@@H]2CCOC2)c1 ZINC000235958250 346175184 /nfs/dbraw/zinc/17/51/84/346175184.db2.gz NVCURXQMHLIKHL-MRVPVSSYSA-N 0 0 212.680 2.244 10 0 BEAERN Cc1csc(-c2nc(N)n[nH]2)c1Cl ZINC000235960190 346175667 /nfs/dbraw/zinc/17/56/67/346175667.db2.gz OUSSEOJEYMSHDA-UHFFFAOYSA-N 0 0 214.681 2.077 10 0 BEAERN CCCC(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000036742418 168544921 /nfs/dbraw/zinc/54/49/21/168544921.db2.gz YHVAHQCOWLWWIH-VIFPVBQESA-N 0 0 218.300 2.347 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCCC12CCCC2 ZINC000669375124 537953333 /nfs/dbraw/zinc/95/33/33/537953333.db2.gz FEIYWRVERWSVFX-SNVBAGLBSA-N 0 0 231.361 2.039 10 0 BEAERN Cc1cccc(-n2c(=O)c(N)c(C(C)C)n2C)c1 ZINC000034977616 179000490 /nfs/dbraw/zinc/00/04/90/179000490.db2.gz LVPYHYWCDVTSBE-UHFFFAOYSA-N 0 0 245.326 2.190 10 0 BEAERN Cc1nnc2c(N)c(C)c3ccccc3n12 ZINC000136358120 346202367 /nfs/dbraw/zinc/20/23/67/346202367.db2.gz ACZAGMCYXCSPDJ-UHFFFAOYSA-N 0 0 212.256 2.082 10 0 BEAERN Cc1cc(Cl)ccc1NC(=O)CC(N)=S ZINC000020433249 187316568 /nfs/dbraw/zinc/31/65/68/187316568.db2.gz OFZJSNJGRUIEIK-UHFFFAOYSA-N 0 0 242.731 2.263 10 0 BEAERN Fc1cc(F)c(NCC(F)(F)F)nc1F ZINC000236170794 346204900 /nfs/dbraw/zinc/20/49/00/346204900.db2.gz JAVVUMIITOINPM-UHFFFAOYSA-N 0 0 230.111 2.473 10 0 BEAERN Cc1cccc(-n2nnc(CO)c2C(C)C)c1 ZINC000045892085 179002196 /nfs/dbraw/zinc/00/21/96/179002196.db2.gz JMERDCQWJWMICP-UHFFFAOYSA-N 0 0 231.299 2.191 10 0 BEAERN Cc1nc(-c2cccc(C)c2)[nH]c1CO ZINC000059705240 178995629 /nfs/dbraw/zinc/99/56/29/178995629.db2.gz VMTQRMVGJPFHDS-UHFFFAOYSA-N 0 0 202.257 2.186 10 0 BEAERN C[C@H](CO)Sc1ccc(N)cc1Cl ZINC000136281163 346184445 /nfs/dbraw/zinc/18/44/45/346184445.db2.gz NJMRNZALZBYBFE-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN Cn1ncc(Cl)c1C(=O)[C@H]1CC1(C)C ZINC000236077244 346189168 /nfs/dbraw/zinc/18/91/68/346189168.db2.gz KBBLSDRQUKPDKV-ZCFIWIBFSA-N 0 0 212.680 2.302 10 0 BEAERN O=c1ncc(-c2ccc(Cl)cc2)c[nH]1 ZINC000034103153 346193842 /nfs/dbraw/zinc/19/38/42/346193842.db2.gz VZLILXHIRJTNKP-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN COc1c(O)ccc(C)c1Br ZINC000039186505 346196485 /nfs/dbraw/zinc/19/64/85/346196485.db2.gz CZECVHHDRFZVMZ-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN O=C(C(F)F)N1CC[C@H]2CCCC[C@H]21 ZINC000236132818 346197347 /nfs/dbraw/zinc/19/73/47/346197347.db2.gz XQYWVYHFNDWMFZ-HTQZYQBOSA-N 0 0 203.232 2.043 10 0 BEAERN Nc1nnc(-c2ccc(Cl)o2)s1 ZINC000236382738 346233041 /nfs/dbraw/zinc/23/30/41/346233041.db2.gz OGRREWZZKYNUKA-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN Nc1n[nH]c(-c2cc(Cl)sc2Cl)n1 ZINC000236381986 346233213 /nfs/dbraw/zinc/23/32/13/346233213.db2.gz REQPVDNFPAOJPZ-UHFFFAOYSA-N 0 0 235.099 2.422 10 0 BEAERN Cc1cccc(C(=O)N(C)c2ccccn2)c1N ZINC000019812075 179005420 /nfs/dbraw/zinc/00/54/20/179005420.db2.gz YABVNJSOKOVQAU-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245901242 537958080 /nfs/dbraw/zinc/95/80/80/537958080.db2.gz LEUAYPDBIKIQJQ-WRWGMCAJSA-N 0 0 242.363 2.286 10 0 BEAERN Nc1noc(-c2cncs2)c1Cl ZINC000236393787 346235199 /nfs/dbraw/zinc/23/51/99/346235199.db2.gz FQWNXZPIQCYTSL-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN O=C(c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000062194918 346216572 /nfs/dbraw/zinc/21/65/72/346216572.db2.gz KVLPDYOZFCDPQP-SNVBAGLBSA-N 0 0 208.232 2.435 10 0 BEAERN O=C(c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000062194919 346216610 /nfs/dbraw/zinc/21/66/10/346216610.db2.gz KVLPDYOZFCDPQP-JTQLQIEISA-N 0 0 208.232 2.435 10 0 BEAERN C[C@H]1C[C@H]1CNc1nnc(Br)s1 ZINC000167222092 346216671 /nfs/dbraw/zinc/21/66/71/346216671.db2.gz YEKGXEAPCKZZBR-WHFBIAKZSA-N 0 0 248.149 2.369 10 0 BEAERN Ic1ccc([C@H]2CO2)cc1 ZINC000034184456 346217527 /nfs/dbraw/zinc/21/75/27/346217527.db2.gz KMCIOYBQDJMMFP-MRVPVSSYSA-N 0 0 246.047 2.363 10 0 BEAERN NN[C@@H](c1ncccc1Cl)C1CCC1 ZINC000236266823 346218075 /nfs/dbraw/zinc/21/80/75/346218075.db2.gz XZIPGLAWAWXBBB-SECBINFHSA-N 0 0 211.696 2.040 10 0 BEAERN Cc1cccc(/C=C/C(=O)NCc2cn[nH]c2)c1 ZINC000038006850 179003007 /nfs/dbraw/zinc/00/30/07/179003007.db2.gz HQNNKEMGFHDBLY-AATRIKPKSA-N 0 0 241.294 2.048 10 0 BEAERN Nc1cc(F)c(OC(F)(F)F)cc1F ZINC000034211905 346226673 /nfs/dbraw/zinc/22/66/73/346226673.db2.gz NCCFJYHLZQFMAS-UHFFFAOYSA-N 0 0 213.105 2.446 10 0 BEAERN O[C@@H](CC1OCCO1)c1ccc(Cl)s1 ZINC000236520709 346246203 /nfs/dbraw/zinc/24/62/03/346246203.db2.gz SKGYDRQQECQIIT-LURJTMIESA-N 0 0 234.704 2.198 10 0 BEAERN Cn1cc(SCc2ccc(Cl)nn2)cn1 ZINC000167439169 346246664 /nfs/dbraw/zinc/24/66/64/346246664.db2.gz MWGHZBKPZGVBDH-UHFFFAOYSA-N 0 0 240.719 2.156 10 0 BEAERN CC(C)(C)OCc1ccc(Cl)nn1 ZINC000167428565 346247223 /nfs/dbraw/zinc/24/72/23/346247223.db2.gz GSKFHYKDUXJFMC-UHFFFAOYSA-N 0 0 200.669 2.445 10 0 BEAERN O[C@H](c1ccco1)c1ncccc1Cl ZINC000236580310 346251952 /nfs/dbraw/zinc/25/19/52/346251952.db2.gz YRQDFKRNFMSOGR-SNVBAGLBSA-N 0 0 209.632 2.410 10 0 BEAERN Cc1ccc(C)c(CC(=O)N[C@H]2C[C@H]2C)c1 ZINC000076210076 537960199 /nfs/dbraw/zinc/96/01/99/537960199.db2.gz CIJDFWVGKIEGFU-YPMHNXCESA-N 0 0 217.312 2.371 10 0 BEAERN CCCC(=O)[C@@H](N)c1ccc(OC)cc1 ZINC000669376827 537963141 /nfs/dbraw/zinc/96/31/41/537963141.db2.gz VKVVZVHQPNZKGG-LBPRGKRZSA-N 0 0 207.273 2.064 10 0 BEAERN COc1ccc([C@H](N)C(=O)C(C)(C)C)cc1 ZINC000669376706 537963219 /nfs/dbraw/zinc/96/32/19/537963219.db2.gz JPXNSKBPLBFXJA-NSHDSACASA-N 0 0 221.300 2.310 10 0 BEAERN COc1ccc([C@@H](N)C(=O)C(C)(C)C)cc1 ZINC000669376705 537963355 /nfs/dbraw/zinc/96/33/55/537963355.db2.gz JPXNSKBPLBFXJA-LLVKDONJSA-N 0 0 221.300 2.310 10 0 BEAERN CC(C)c1ccccc1OCC(N)=S ZINC000005592669 346267055 /nfs/dbraw/zinc/26/70/55/346267055.db2.gz ZHCYXZSKZWCJQZ-UHFFFAOYSA-N 0 0 209.314 2.475 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CC2(C)C)c1N ZINC000045114959 179021612 /nfs/dbraw/zinc/02/16/12/179021612.db2.gz YYIYKYGFBYUYBY-SNVBAGLBSA-N 0 0 218.300 2.106 10 0 BEAERN Nc1ccccc1CSc1ncc[nH]1 ZINC000034437638 346282551 /nfs/dbraw/zinc/28/25/51/346282551.db2.gz GLYUPUFLVZNAIR-UHFFFAOYSA-N 0 0 205.286 2.284 10 0 BEAERN Cc1cccc(C)c1C(=O)N1CCC[C@H](O)[C@@H]1C ZINC000297868322 179030702 /nfs/dbraw/zinc/03/07/02/179030702.db2.gz ZIVZXXWGNQTLMX-STQMWFEESA-N 0 0 247.338 2.289 10 0 BEAERN O=C(NC1CCC1)C1=CC(=S)CS1 ZINC000236713725 346296157 /nfs/dbraw/zinc/29/61/57/346296157.db2.gz USHBSUSKLZSSOP-UHFFFAOYSA-N 0 0 213.327 2.319 10 0 BEAERN O[C@@H](CCc1cccs1)c1cn[nH]c1 ZINC000308653879 537966842 /nfs/dbraw/zinc/96/68/42/537966842.db2.gz MFEREZTUQDZGNI-JTQLQIEISA-N 0 0 208.286 2.137 10 0 BEAERN Cc1nnc(Sc2nsnc2Cl)o1 ZINC000051038267 346298402 /nfs/dbraw/zinc/29/84/02/346298402.db2.gz PEGVMEQIMITOBG-UHFFFAOYSA-N 0 0 234.693 2.034 10 0 BEAERN COC(=O)/C=C/c1cc(F)ccc1OC ZINC000034451980 346289120 /nfs/dbraw/zinc/28/91/20/346289120.db2.gz JVIYMOIZYNWXKZ-ZZXKWVIFSA-N 0 0 210.204 2.021 10 0 BEAERN Cc1cccc(C)c1-c1nnc(N)s1 ZINC000034224506 179028495 /nfs/dbraw/zinc/02/84/95/179028495.db2.gz KOEHIPNQVGGKKT-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cccc(C)c1N(C(=O)C[NH3+])C(C)C ZINC000082288978 179038999 /nfs/dbraw/zinc/03/89/99/179038999.db2.gz XTROKJGKHGPNON-UHFFFAOYSA-N 0 0 220.316 2.004 10 0 BEAERN Cc1cccc(C)c1NC1=NCCOC1 ZINC000031520049 179044255 /nfs/dbraw/zinc/04/42/55/179044255.db2.gz JXAFNKVJWPNFIT-UHFFFAOYSA-N 0 0 204.273 2.144 10 0 BEAERN Cc1cccc(C)c1OCCC(N)=S ZINC000019482092 179046574 /nfs/dbraw/zinc/04/65/74/179046574.db2.gz DBVINOHOGUHCJG-UHFFFAOYSA-N 0 0 209.314 2.358 10 0 BEAERN O=C(CC1CCSCC1)[C@H]1CCCO1 ZINC000157652958 346384301 /nfs/dbraw/zinc/38/43/01/346384301.db2.gz NWITUVBJHXIIPE-LLVKDONJSA-N 0 0 214.330 2.268 10 0 BEAERN O[C@H](Cc1ccncc1Cl)C(F)(F)Cl ZINC000158696036 346399943 /nfs/dbraw/zinc/39/99/43/346399943.db2.gz MZEUGCBRXFCFIQ-SSDOTTSWSA-N 0 0 242.052 2.470 10 0 BEAERN CO[C@@H](c1noc(Cl)n1)C(C)(C)C ZINC000158282659 346392600 /nfs/dbraw/zinc/39/26/00/346392600.db2.gz HMLPZJUUZKULDJ-YFKPBYRVSA-N 0 0 204.657 2.457 10 0 BEAERN Cc1nc(C(=O)[O-])sc1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000669379327 537977097 /nfs/dbraw/zinc/97/70/97/537977097.db2.gz CBNWFGXHSORJJX-POYBYMJQSA-N 0 0 240.328 2.005 10 0 BEAERN Cc1cccc(CNC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000187909700 179088292 /nfs/dbraw/zinc/08/82/92/179088292.db2.gz LOVPZNAHHLJHEL-OCCSQVGLSA-N 0 0 247.338 2.426 10 0 BEAERN O[C@H]1CCO[C@H](CCc2ccccc2)C1 ZINC000069850587 349962151 /nfs/dbraw/zinc/96/21/51/349962151.db2.gz HIFVIQBYTOVQAP-QWHCGFSZSA-N 0 0 206.285 2.159 10 0 BEAERN Cc1cccc(CNCc2nccn2C)c1 ZINC000037871810 179096224 /nfs/dbraw/zinc/09/62/24/179096224.db2.gz PYXTUIDGBUCWQC-UHFFFAOYSA-N 0 0 215.300 2.018 10 0 BEAERN Cc1cc(N)ccc1Oc1nncs1 ZINC000148908527 346484346 /nfs/dbraw/zinc/48/43/46/346484346.db2.gz XZKIBUPXENKNDR-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN Cc1cccc(CNc2cc(C)nc(C)n2)n1 ZINC000048346508 179102139 /nfs/dbraw/zinc/10/21/39/179102139.db2.gz ITTZKNZLDASKQF-UHFFFAOYSA-N 0 0 228.299 2.409 10 0 BEAERN Cc1nn(C)c(NCc2cccc(C)c2)c1N ZINC000048266161 179102258 /nfs/dbraw/zinc/10/22/58/179102258.db2.gz ASKZAYCSSYLUKR-UHFFFAOYSA-N 0 0 230.315 2.231 10 0 BEAERN Cc1ccncc1-c1ncc(C=O)s1 ZINC000162435230 346522774 /nfs/dbraw/zinc/52/27/74/346522774.db2.gz UGGFEVVBAAXQHF-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN Cc1cccc(N)c1C(=O)NCC(C)(C)C ZINC000040494518 179119266 /nfs/dbraw/zinc/11/92/66/179119266.db2.gz UINSFVYIUZSEAM-UHFFFAOYSA-N 0 0 220.316 2.353 10 0 BEAERN Cc1nn(C)c2c1NC[C@H](C(C)C)S2 ZINC000162723317 346536212 /nfs/dbraw/zinc/53/62/12/346536212.db2.gz PDRLPBUMNFJUBB-MRVPVSSYSA-N 0 0 211.334 2.271 10 0 BEAERN Cc1cccc(Cn2c(CO)c[nH]c2=S)c1 ZINC000019724506 179109070 /nfs/dbraw/zinc/10/90/70/179109070.db2.gz HHBGLXKDWCHGSQ-UHFFFAOYSA-N 0 0 234.324 2.395 10 0 BEAERN CC(=O)CCC(=O)NCC1CCCCC1 ZINC000201891473 346577312 /nfs/dbraw/zinc/57/73/12/346577312.db2.gz WTSWYMKBRURIGP-UHFFFAOYSA-N 0 0 211.305 2.052 10 0 BEAERN CC(=O)CCC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000203097296 346620918 /nfs/dbraw/zinc/62/09/18/346620918.db2.gz HTBDHKJZKGEMIZ-STQMWFEESA-N 0 0 231.295 2.028 10 0 BEAERN Cc1cccc(N2NC[C@@H]3C(=O)CCC[C@H]32)c1C ZINC000261507361 179123412 /nfs/dbraw/zinc/12/34/12/179123412.db2.gz HTPYWUSNYJOEHF-GXTWGEPZSA-N 0 0 244.338 2.366 10 0 BEAERN Nc1ccc(Br)cc1N1CCCO1 ZINC000164145542 346592571 /nfs/dbraw/zinc/59/25/71/346592571.db2.gz LLFHOWBDFIDSKO-UHFFFAOYSA-N 0 0 243.104 2.173 10 0 BEAERN Nc1cc(Cl)c(F)cc1N1CCCO1 ZINC000164138959 346592684 /nfs/dbraw/zinc/59/26/84/346592684.db2.gz BSKXSZCGHMJQDG-UHFFFAOYSA-N 0 0 216.643 2.203 10 0 BEAERN COc1cc(N)ccc1OC(F)(F)F ZINC000164182894 346595063 /nfs/dbraw/zinc/59/50/63/346595063.db2.gz XVZZHGGFVLQTRS-UHFFFAOYSA-N 0 0 207.151 2.176 10 0 BEAERN Nc1cn(Cc2ccccc2)nc1[C@H]1CCOC1 ZINC000164272422 346597613 /nfs/dbraw/zinc/59/76/13/346597613.db2.gz DVCLLIBBIBNZHD-LBPRGKRZSA-N 0 0 243.310 2.018 10 0 BEAERN Cc1cccc(NC(=O)CC[C@@H](C)O)c1C ZINC000049818404 179125946 /nfs/dbraw/zinc/12/59/46/179125946.db2.gz HIMVBPQTXYSKQZ-SNVBAGLBSA-N 0 0 221.300 2.403 10 0 BEAERN Cc1cccc(N2CCC3(CC2)OCCO3)c1 ZINC000164461901 346605845 /nfs/dbraw/zinc/60/58/45/346605845.db2.gz FJOOTLIAHUBVNP-UHFFFAOYSA-N 0 0 233.311 2.338 10 0 BEAERN CCNC(=S)N1[C@@H](C)CC[C@@H]1CC ZINC000164488757 346606713 /nfs/dbraw/zinc/60/67/13/346606713.db2.gz XTKRUJIJUYTROU-IUCAKERBSA-N 0 0 200.351 2.144 10 0 BEAERN Cc1csc([C@H]2CSCCO2)n1 ZINC000164685202 346617518 /nfs/dbraw/zinc/61/75/18/346617518.db2.gz XQUTVWKUKWTSAZ-SSDOTTSWSA-N 0 0 201.316 2.256 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@H](C)C(C)C ZINC000020522383 179119592 /nfs/dbraw/zinc/11/95/92/179119592.db2.gz YPRCWTRADLBTMT-SNVBAGLBSA-N 0 0 220.316 2.352 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CCC[C@@H](C)C1 ZINC000022223251 179119808 /nfs/dbraw/zinc/11/98/08/179119808.db2.gz COXKAEKZLFVAQM-SNVBAGLBSA-N 0 0 232.327 2.449 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CCC[C@H]1C ZINC000037909610 179119976 /nfs/dbraw/zinc/11/99/76/179119976.db2.gz BRJIKNHJTCLFJO-SNVBAGLBSA-N 0 0 218.300 2.202 10 0 BEAERN CC(=O)c1ccc(C(=O)OC(C)(C)C)cc1N ZINC000585672659 346652538 /nfs/dbraw/zinc/65/25/38/346652538.db2.gz JPUHDYIKZGUKCU-UHFFFAOYSA-N 0 0 235.283 2.427 10 0 BEAERN COC(=O)CCCc1ccc2cccnc2n1 ZINC000585681270 346653619 /nfs/dbraw/zinc/65/36/19/346653619.db2.gz JDTNCLNWBWFGOC-UHFFFAOYSA-N 0 0 230.267 2.126 10 0 BEAERN CCOC(=O)c1cc(OC(F)F)ccc1N ZINC000585681275 346653675 /nfs/dbraw/zinc/65/36/75/346653675.db2.gz KTNHYNPTWOBJEK-UHFFFAOYSA-N 0 0 231.198 2.047 10 0 BEAERN CC(=O)CCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000203511560 346636795 /nfs/dbraw/zinc/63/67/95/346636795.db2.gz KYICKQLVVKMSQN-NXEZZACHSA-N 0 0 211.305 2.003 10 0 BEAERN O=c1c(Cl)nccn1CC1CCCCC1 ZINC000165086820 346639190 /nfs/dbraw/zinc/63/91/90/346639190.db2.gz WPQGYQQICPZMLU-UHFFFAOYSA-N 0 0 226.707 2.477 10 0 BEAERN C[C@@H](O)CCc1cncc(Br)c1 ZINC000165148335 346643056 /nfs/dbraw/zinc/64/30/56/346643056.db2.gz NDYUCKZOWJXIFF-SSDOTTSWSA-N 0 0 230.105 2.158 10 0 BEAERN Cc1nn(C(C)C)cc1NCc1ccc(CO)o1 ZINC000725242649 537985639 /nfs/dbraw/zinc/98/56/39/537985639.db2.gz QEONIZNLUBWEJT-UHFFFAOYSA-N 0 0 249.314 2.470 10 0 BEAERN CC1CC(C(=O)NCC2(O)CCC(C)CC2)C1 ZINC000621097089 346706756 /nfs/dbraw/zinc/70/67/56/346706756.db2.gz HADBNTPLHLCVKD-UHFFFAOYSA-N 0 0 239.359 2.090 10 0 BEAERN O=C1NCCN1c1ccc(Cl)c(F)c1 ZINC000169098152 346753096 /nfs/dbraw/zinc/75/30/96/346753096.db2.gz OUKNZVLMJKFUGS-UHFFFAOYSA-N 0 0 214.627 2.009 10 0 BEAERN Nc1cccnc1NCc1cccs1 ZINC000020321126 346782387 /nfs/dbraw/zinc/78/23/87/346782387.db2.gz OKYWKYLNEZRBCL-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000390575657 259393994 /nfs/dbraw/zinc/39/39/94/259393994.db2.gz VWAMPJXAXXBVBY-DOFRTFSJSA-N 0 0 221.279 2.443 10 0 BEAERN CCOC(=O)c1n[nH]cc1-c1ccc(OC)cc1 ZINC000038998907 347172900 /nfs/dbraw/zinc/17/29/00/347172900.db2.gz FNOVUORJTZKWLU-UHFFFAOYSA-N 0 0 246.266 2.262 10 0 BEAERN NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC000039039996 347174109 /nfs/dbraw/zinc/17/41/09/347174109.db2.gz OODXUMJWUPFMTD-UMSGYPCISA-N 0 0 215.296 2.302 10 0 BEAERN CC(=O)Oc1cnc(C=O)c2cccc(C)c12 ZINC000039019826 347175169 /nfs/dbraw/zinc/17/51/69/347175169.db2.gz OEUHEIVHVZXEBI-UHFFFAOYSA-N 0 0 229.235 2.281 10 0 BEAERN CN(C)C(=O)CCCCOc1cccc(O)c1 ZINC000039121157 347179306 /nfs/dbraw/zinc/17/93/06/347179306.db2.gz KIWSRYYERUURSO-UHFFFAOYSA-N 0 0 237.299 2.030 10 0 BEAERN CC(=O)c1c(O)c(C)cc2c(C)cc(=O)oc21 ZINC000039170569 347182868 /nfs/dbraw/zinc/18/28/68/347182868.db2.gz HBBAUSZULSWDFX-UHFFFAOYSA-N 0 0 232.235 2.318 10 0 BEAERN CCOC(=O)[C@@H](C#N)Cc1c(C)cc(O)cc1C ZINC000039171400 347183086 /nfs/dbraw/zinc/18/30/86/347183086.db2.gz XCXSCWIDHSIAGO-LLVKDONJSA-N 0 0 247.294 2.254 10 0 BEAERN CCN1C2=C(CSC2)C(=O)Nc2ccccc21 ZINC000039241349 347187356 /nfs/dbraw/zinc/18/73/56/347187356.db2.gz OUDUXLCGISXXIS-UHFFFAOYSA-N 0 0 246.335 2.466 10 0 BEAERN COC(=O)C[C@@H](C)CCC(=O)C(C)C ZINC000039242436 347187666 /nfs/dbraw/zinc/18/76/66/347187666.db2.gz FSUJVRUIHAKTPK-VIFPVBQESA-N 0 0 200.278 2.191 10 0 BEAERN CC(C)c1cc(=O)n(-c2ccccc2)n1C ZINC000039286339 347188270 /nfs/dbraw/zinc/18/82/70/347188270.db2.gz IHSLNOJDOWAKIH-UHFFFAOYSA-N 0 0 216.284 2.299 10 0 BEAERN CC(C)C1(CNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000189167456 347297777 /nfs/dbraw/zinc/29/77/77/347297777.db2.gz MSHKRIBKQXKOOL-VXGBXAGGSA-N 0 0 239.359 2.354 10 0 BEAERN Oc1cc(C2CC2)cc2nc(C3CC3)nn21 ZINC000725242945 537988707 /nfs/dbraw/zinc/98/87/07/537988707.db2.gz BTCIPJKMUSZGEH-UHFFFAOYSA-N 0 0 215.256 2.190 10 0 BEAERN COC(=O)[C@H](NCC1CCCC1)C(C)(C)C ZINC000119176950 347276594 /nfs/dbraw/zinc/27/65/94/347276594.db2.gz KBVZNRLGNYZAAW-NSHDSACASA-N 0 0 227.348 2.354 10 0 BEAERN COc1ccc(-c2cnc(Cl)cc2N)cn1 ZINC000113384345 347351460 /nfs/dbraw/zinc/35/14/60/347351460.db2.gz MZJGUSIXBIPVTA-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN COc1cc(-c2cnc(Cl)cc2N)ccn1 ZINC000113386076 347351485 /nfs/dbraw/zinc/35/14/85/347351485.db2.gz IABAWECSUDFZRT-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN Clc1cnc2c(c1)NC[C@@H]1CCCN21 ZINC000149595647 347354454 /nfs/dbraw/zinc/35/44/54/347354454.db2.gz SOPZXRMRUYXMRI-QMMMGPOBSA-N 0 0 209.680 2.129 10 0 BEAERN Cc1cccc2c1C(=O)N[C@]1(CCCSC1)N2 ZINC000108943851 179213745 /nfs/dbraw/zinc/21/37/45/179213745.db2.gz QWYCWWUOLJIRAH-ZDUSSCGKSA-N 0 0 248.351 2.374 10 0 BEAERN CC1(C)CNc2cc(N3CCOCC3)ccc21 ZINC000118093488 347361630 /nfs/dbraw/zinc/36/16/30/347361630.db2.gz FRUUEHGTMHFXAC-UHFFFAOYSA-N 0 0 232.327 2.226 10 0 BEAERN CCCC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000095725534 168571211 /nfs/dbraw/zinc/57/12/11/168571211.db2.gz DUOPVGCYEOHBPN-MRVPVSSYSA-N 0 0 215.293 2.269 10 0 BEAERN C[C@H](O)C(C)(C)NC(=O)OCc1ccccc1 ZINC000128477960 347378057 /nfs/dbraw/zinc/37/80/57/347378057.db2.gz OCGFVWWTMWIBQI-JTQLQIEISA-N 0 0 237.299 2.072 10 0 BEAERN CCCC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000095725535 168570894 /nfs/dbraw/zinc/57/08/94/168570894.db2.gz DUOPVGCYEOHBPN-QMMMGPOBSA-N 0 0 215.293 2.269 10 0 BEAERN CCCCOC[C@@H](O)Cn1ccnc1C(C)C ZINC000193252864 347393805 /nfs/dbraw/zinc/39/38/05/347393805.db2.gz YKDVICKXPYBHDW-LBPRGKRZSA-N 0 0 240.347 2.184 10 0 BEAERN Cn1c(COc2ccccc2F)nnc1C1CC1 ZINC000194654527 347396508 /nfs/dbraw/zinc/39/65/08/347396508.db2.gz BVIJHRGUHLJQNO-UHFFFAOYSA-N 0 0 247.273 2.411 10 0 BEAERN Cc1cnc([C@H](N)c2ccccc2)s1 ZINC000036761878 347451154 /nfs/dbraw/zinc/45/11/54/347451154.db2.gz NUZFQMYLFJXUJE-SNVBAGLBSA-N 0 0 204.298 2.500 10 0 BEAERN Cc1cccc2oc(-c3cnn(C)c3N)nc21 ZINC000038052730 179232532 /nfs/dbraw/zinc/23/25/32/179232532.db2.gz FJFPIUJWEHUDSS-UHFFFAOYSA-N 0 0 228.255 2.119 10 0 BEAERN Cc1cccc2sc(N(O)C=N)nc21 ZINC000045236101 179234325 /nfs/dbraw/zinc/23/43/25/179234325.db2.gz RPDPOAGTUSNIGF-UHFFFAOYSA-N 0 0 207.258 2.407 10 0 BEAERN CC(C)OC(=O)N1CCOCC12CCCC2 ZINC000388509202 347438471 /nfs/dbraw/zinc/43/84/71/347438471.db2.gz PRBBATYCTXPSEO-UHFFFAOYSA-N 0 0 227.304 2.176 10 0 BEAERN CC(C)[S@@](=N)(=O)C1CCSCC1 ZINC000616568311 347444450 /nfs/dbraw/zinc/44/44/50/347444450.db2.gz IKZGVVXQAHYIFJ-GFCCVEGCSA-N 0 0 207.364 2.337 10 0 BEAERN CNc1cnc(C)c(Br)c1 ZINC000616568178 347444513 /nfs/dbraw/zinc/44/45/13/347444513.db2.gz JETUSVBFFCNRKZ-UHFFFAOYSA-N 0 0 201.067 2.194 10 0 BEAERN CCc1cc(Cl)nc(C[C@@H]2CCCO2)n1 ZINC000036755676 347449093 /nfs/dbraw/zinc/44/90/93/347449093.db2.gz LWAUHEFZCGMFFD-VIFPVBQESA-N 0 0 226.707 2.414 10 0 BEAERN Cc1nc(C)c(Br)nc1C ZINC000039104949 229583513 /nfs/dbraw/zinc/58/35/13/229583513.db2.gz IZTFFZNKCNYYNZ-UHFFFAOYSA-N 0 0 201.067 2.164 10 0 BEAERN Cc1cc2nc(C(C)C)nn2c(O)c1C ZINC000725243162 537990876 /nfs/dbraw/zinc/99/08/76/537990876.db2.gz NFUFRKPBXSFTFM-UHFFFAOYSA-N 0 0 205.261 2.175 10 0 BEAERN CN(C)c1ccc(C(=O)c2ccccn2)cc1 ZINC000196077319 347482041 /nfs/dbraw/zinc/48/20/41/347482041.db2.gz VZQNDGWLYMHQGT-UHFFFAOYSA-N 0 0 226.279 2.379 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000302389332 347531915 /nfs/dbraw/zinc/53/19/15/347531915.db2.gz NPTHUXQISUIGLU-AVGNSLFASA-N 0 0 241.375 2.480 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000302389335 347532028 /nfs/dbraw/zinc/53/20/28/347532028.db2.gz NPTHUXQISUIGLU-YNEHKIRRSA-N 0 0 241.375 2.480 10 0 BEAERN CN(c1ccccc1)c1cc(F)ncn1 ZINC000149947957 347573596 /nfs/dbraw/zinc/57/35/96/347573596.db2.gz ZAKLJILBCBPYAP-UHFFFAOYSA-N 0 0 203.220 2.384 10 0 BEAERN Cc1ccccc1CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000075959072 179265335 /nfs/dbraw/zinc/26/53/35/179265335.db2.gz VWZNFFIUMQDHBO-WCQYABFASA-N 0 0 232.327 2.245 10 0 BEAERN Cc1nnc(N2CCS[C@H](C)C2)n1C(C)C ZINC000334522446 133682285 /nfs/dbraw/zinc/68/22/85/133682285.db2.gz SURYRWVMFFJHKX-SECBINFHSA-N 0 0 240.376 2.109 10 0 BEAERN CCCC(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616569543 347767865 /nfs/dbraw/zinc/76/78/65/347767865.db2.gz ABWTXSRNMJILMG-UHFFFAOYSA-N 0 0 232.327 2.225 10 0 BEAERN Cc1ccccc1CNCc1nccn1C ZINC000037855415 179282564 /nfs/dbraw/zinc/28/25/64/179282564.db2.gz ANTPSRJBIBWOQV-UHFFFAOYSA-N 0 0 215.300 2.018 10 0 BEAERN Cc1cc(C)n(Cc2nnsc2Cl)n1 ZINC000036820298 347823577 /nfs/dbraw/zinc/82/35/77/347823577.db2.gz AYBJBVKSULAVKX-UHFFFAOYSA-N 0 0 228.708 2.053 10 0 BEAERN Cc1ccccc1Cc1nnc2ccc(N)cn21 ZINC000053146188 179293018 /nfs/dbraw/zinc/29/30/18/179293018.db2.gz WUPFOUSKHSGMIC-UHFFFAOYSA-N 0 0 238.294 2.211 10 0 BEAERN CCCCCc1nc2cc(C)cc(O)n2n1 ZINC000725243326 537992463 /nfs/dbraw/zinc/99/24/63/537992463.db2.gz XFQDDBSKDQVVII-UHFFFAOYSA-N 0 0 219.288 2.476 10 0 BEAERN CC(C)[C@]1(c2ccccc2)CCC(=O)NC1=O ZINC000196270340 347865466 /nfs/dbraw/zinc/86/54/66/347865466.db2.gz IRGJYIKIRNAXEM-AWEZNQCLSA-N 0 0 231.295 2.017 10 0 BEAERN COc1cccc([C@H](O)P(=O)(OC)OC)c1 ZINC000196351005 347869121 /nfs/dbraw/zinc/86/91/21/347869121.db2.gz LNPJPQXMONTLHK-SNVBAGLBSA-N 0 0 246.199 2.172 10 0 BEAERN Cc1ccccc1N[C@H](C)C(=O)NC(C)C ZINC000020304655 179306819 /nfs/dbraw/zinc/30/68/19/179306819.db2.gz ONQAHEMYCMQLOI-LLVKDONJSA-N 0 0 220.316 2.320 10 0 BEAERN COCCCNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000020535943 259398910 /nfs/dbraw/zinc/39/89/10/259398910.db2.gz LBRPYXZYHCQBDR-UHFFFAOYSA-N 0 0 247.298 2.326 10 0 BEAERN CCC(=O)c1cnn(-c2ccccc2)c1 ZINC000036893107 347967983 /nfs/dbraw/zinc/96/79/83/347967983.db2.gz GQUNBQGEHCIHGE-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN O[C@@H]1c2cc(F)ccc2OCc2ncccc21 ZINC000196703644 347995443 /nfs/dbraw/zinc/99/54/43/347995443.db2.gz WMWHDOZVDCBGMP-ZDUSSCGKSA-N 0 0 231.226 2.195 10 0 BEAERN Cc1ccc(Cl)c(OCC(N)=S)c1 ZINC000036985151 347997657 /nfs/dbraw/zinc/99/76/57/347997657.db2.gz QPYBPESYPAEJQY-UHFFFAOYSA-N 0 0 215.705 2.313 10 0 BEAERN Cc1ccccc1[C@H](C)NCc1nccc(N)n1 ZINC000181552871 179338913 /nfs/dbraw/zinc/33/89/13/179338913.db2.gz FAYDAKLOVNNIOY-NSHDSACASA-N 0 0 242.326 2.218 10 0 BEAERN C=CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037012520 348010756 /nfs/dbraw/zinc/01/07/56/348010756.db2.gz KXXKPDSGQYBHOZ-YUMQZZPRSA-N 0 0 221.222 2.410 10 0 BEAERN C=CC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000037013589 348014777 /nfs/dbraw/zinc/01/47/77/348014777.db2.gz ACTUDKLZJDCIFM-HTQZYQBOSA-N 0 0 221.222 2.410 10 0 BEAERN Nc1nc(Cc2cccc(F)c2)cs1 ZINC000037066116 348019247 /nfs/dbraw/zinc/01/92/47/348019247.db2.gz OBYQBHHVPXHFIP-UHFFFAOYSA-N 0 0 208.261 2.455 10 0 BEAERN Cc1ccccc1[C@H](C)N1C(=O)[C@H](C)NC1=S ZINC000015569773 179333842 /nfs/dbraw/zinc/33/38/42/179333842.db2.gz NTCBCCPKFVKKGR-UWVGGRQHSA-N 0 0 248.351 2.161 10 0 BEAERN Cc1ccccc1[C@H]1Cc2n[nH]cc2[C@H](O)C1 ZINC000072415155 179350247 /nfs/dbraw/zinc/35/02/47/179350247.db2.gz DRYIPCHIMGFYMB-IINYFYTJSA-N 0 0 228.295 2.482 10 0 BEAERN Cc1ccccc1[C@H]1Cc2c(cnn2C)[C@@H](O)C1 ZINC000072415823 179350741 /nfs/dbraw/zinc/35/07/41/179350741.db2.gz RTOMKWXQKYFGHP-NHYWBVRUSA-N 0 0 242.322 2.492 10 0 BEAERN Cc1ccccc1[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000037183463 179350789 /nfs/dbraw/zinc/35/07/89/179350789.db2.gz CCGAFDBNHRTHAY-ZDUSSCGKSA-N 0 0 219.284 2.047 10 0 BEAERN Cc1cccn2c([C@H](N)C(F)(F)F)cnc12 ZINC000031919730 179355487 /nfs/dbraw/zinc/35/54/87/179355487.db2.gz GECBSZCRLZYQJZ-QMMMGPOBSA-N 0 0 229.205 2.205 10 0 BEAERN CCc1cc(N)c2c(n1)onc2C(C)C ZINC000669382437 537998469 /nfs/dbraw/zinc/99/84/69/537998469.db2.gz AVXPGZNSNRZMOO-UHFFFAOYSA-N 0 0 205.261 2.491 10 0 BEAERN CC1(C)OC(=O)[C@](C)(c2ccccc2)O1 ZINC000197256720 348169203 /nfs/dbraw/zinc/16/92/03/348169203.db2.gz YNXZMAKSVGXYSS-LBPRGKRZSA-N 0 0 206.241 2.211 10 0 BEAERN Cc1cccnc1-n1ncc2c1ncnc2Cl ZINC000066054815 179358533 /nfs/dbraw/zinc/35/85/33/179358533.db2.gz VFXBSRFLUJLKPC-UHFFFAOYSA-N 0 0 245.673 2.172 10 0 BEAERN Cc1cccnc1-n1nnc2ccccc21 ZINC000005331124 179359248 /nfs/dbraw/zinc/35/92/48/179359248.db2.gz SRFBIDJYVSIAKQ-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN Cc1cccnc1C(=O)Nc1cc(N)ccc1F ZINC000051790632 179366672 /nfs/dbraw/zinc/36/66/72/179366672.db2.gz BGXQUSSUKRPIOP-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cn1cnnc1CSCC[Si](C)(C)C ZINC000725245266 538000317 /nfs/dbraw/zinc/00/03/17/538000317.db2.gz GIGBZIHJXWAQPH-UHFFFAOYSA-N 0 0 229.425 2.387 10 0 BEAERN COC(=O)c1cccn2cc(C(C)(C)C)nc12 ZINC000223035665 348229638 /nfs/dbraw/zinc/22/96/38/348229638.db2.gz ZXVCIJXQIWWXAR-UHFFFAOYSA-N 0 0 232.283 2.418 10 0 BEAERN O=[N+]([O-])c1cnn([C@H]2CCCCO2)c1Cl ZINC000224869958 348265217 /nfs/dbraw/zinc/26/52/17/348265217.db2.gz IHIPRXBNVMNOFO-SSDOTTSWSA-N 0 0 231.639 2.144 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000037256766 348292889 /nfs/dbraw/zinc/29/28/89/348292889.db2.gz XPBCUPVLSBPLNO-ZJUUUORDSA-N 0 0 207.277 2.020 10 0 BEAERN C[Si](C)(C)C#Cc1nccnc1Cl ZINC000225875231 348286872 /nfs/dbraw/zinc/28/68/72/348286872.db2.gz DEIQGIGYRCSEOD-UHFFFAOYSA-N 0 0 210.740 2.359 10 0 BEAERN Cc1cccnc1NC(=O)Cc1ccccc1N ZINC000019811792 179390298 /nfs/dbraw/zinc/39/02/98/179390298.db2.gz YCYDQTAWBSXOIE-UHFFFAOYSA-N 0 0 241.294 2.153 10 0 BEAERN CNc1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000230509605 348308166 /nfs/dbraw/zinc/30/81/66/348308166.db2.gz JPLYETIOJDDEHO-UHFFFAOYSA-N 0 0 226.279 2.494 10 0 BEAERN CCCc1ccc(N2CCC(=O)C2)cc1 ZINC000037287435 348310186 /nfs/dbraw/zinc/31/01/86/348310186.db2.gz QSKRAKPEJYRQAZ-UHFFFAOYSA-N 0 0 203.285 2.418 10 0 BEAERN c1ccc(N2CC3(CCC3)[C@H]3COC[C@@H]32)nc1 ZINC000334727562 133741725 /nfs/dbraw/zinc/74/17/25/133741725.db2.gz LINITZYMFMQAPF-RYUDHWBXSA-N 0 0 230.311 2.087 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000251693184 362899303 /nfs/dbraw/zinc/89/93/03/362899303.db2.gz AXILZYGZFANPNQ-OPRDCNLKSA-N 0 0 213.321 2.216 10 0 BEAERN CC1=C[C@H](C)C[C@@H](C[C@H](C[NH3+])C(=O)[O-])C1 ZINC000725246129 538004412 /nfs/dbraw/zinc/00/44/12/538004412.db2.gz KKFBXUGLHYXRPI-JMJZKYOTSA-N 0 0 211.305 2.028 10 0 BEAERN Nc1c(F)cccc1NCC(F)(F)F ZINC000037419226 348428908 /nfs/dbraw/zinc/42/89/08/348428908.db2.gz IQMVACITIGDTBP-UHFFFAOYSA-N 0 0 208.158 2.382 10 0 BEAERN S=C1N=NC(Cc2ccccc2Cl)N1 ZINC000037404908 348422093 /nfs/dbraw/zinc/42/20/93/348422093.db2.gz BYSAUZIEZCFXFO-UHFFFAOYSA-N 0 0 225.704 2.338 10 0 BEAERN Cc1ccnc(NCC2(O)CCSCC2)c1 ZINC000301633068 179442064 /nfs/dbraw/zinc/44/20/64/179442064.db2.gz JVUCGYIJPFBKPR-UHFFFAOYSA-N 0 0 238.356 2.060 10 0 BEAERN CC[C@@H](O)c1cc(Cl)ncc1OCOC ZINC000725246057 538006879 /nfs/dbraw/zinc/00/68/79/538006879.db2.gz QMERORLUIUZJEM-MRVPVSSYSA-N 0 0 231.679 2.161 10 0 BEAERN CCOC(=O)[C@]1(CC)O[C@@]12CCCSCC2 ZINC000669383521 538008523 /nfs/dbraw/zinc/00/85/23/538008523.db2.gz IDZYJADWNSKADD-NEPJUHHUSA-N 0 0 244.356 2.384 10 0 BEAERN COc1cccc([C@@H]2CCCOC2=O)c1 ZINC000205886782 348601748 /nfs/dbraw/zinc/60/17/48/348601748.db2.gz OMSZUODDWKRXKT-NSHDSACASA-N 0 0 206.241 2.116 10 0 BEAERN CCCC[C@@]1(C)O[C@@]1(CC)C(=O)OC ZINC000669383549 538007603 /nfs/dbraw/zinc/00/76/03/538007603.db2.gz JDSFFQLWSZDLHZ-MNOVXSKESA-N 0 0 200.278 2.287 10 0 BEAERN CCOC(=O)[C@]1(CC)O[C@]12CCCSCC2 ZINC000669383523 538008352 /nfs/dbraw/zinc/00/83/52/538008352.db2.gz IDZYJADWNSKADD-RYUDHWBXSA-N 0 0 244.356 2.384 10 0 BEAERN CC1=CCC[C@H](C)[C@@H]1C[C@@H](C[NH3+])C(=O)[O-] ZINC000725246706 538009454 /nfs/dbraw/zinc/00/94/54/538009454.db2.gz UAQJLZGDJCALLG-GARJFASQSA-N 0 0 211.305 2.028 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Sc1ccccn1 ZINC000037491046 348623083 /nfs/dbraw/zinc/62/30/83/348623083.db2.gz DRFVRSLJSUBFJC-ZJUUUORDSA-N 0 0 209.314 2.477 10 0 BEAERN CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000218219605 538010675 /nfs/dbraw/zinc/01/06/75/538010675.db2.gz HREZTDIFTLSAQP-WPRPVWTQSA-N 0 0 227.304 2.078 10 0 BEAERN CC[C@@H](C)n1c2ccc(N)cc2oc1=O ZINC000725247416 538010743 /nfs/dbraw/zinc/01/07/43/538010743.db2.gz UYICEMWSWDLWCK-SSDOTTSWSA-N 0 0 206.245 2.148 10 0 BEAERN Cc1cnc(NC[C@H]2CCCC[C@H]2O)nc1C ZINC000270677474 179636959 /nfs/dbraw/zinc/63/69/59/179636959.db2.gz BPTDZLGENYFLFQ-VXGBXAGGSA-N 0 0 235.331 2.056 10 0 BEAERN Nc1cn(Cc2cccc(F)c2Cl)cn1 ZINC000725247237 538011031 /nfs/dbraw/zinc/01/10/31/538011031.db2.gz KZBLPRANFNNSNY-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CC[C@H](C)n1cc(N)cc(Br)c1=O ZINC000725247291 538011076 /nfs/dbraw/zinc/01/10/76/538011076.db2.gz HXXMHCUWDLBXSW-LURJTMIESA-N 0 0 245.120 2.164 10 0 BEAERN CC[C@@H](C)n1cc(N)cc(Br)c1=O ZINC000725247293 538011127 /nfs/dbraw/zinc/01/11/27/538011127.db2.gz HXXMHCUWDLBXSW-ZCFIWIBFSA-N 0 0 245.120 2.164 10 0 BEAERN C[N@@H+](Cc1ccoc1)C[C@H]1CCCC[C@@H]1O ZINC000053923582 348794276 /nfs/dbraw/zinc/79/42/76/348794276.db2.gz VCWVSBCIJMNOAP-OLZOCXBDSA-N 0 0 223.316 2.263 10 0 BEAERN Cc1cnc2[nH]c(-c3ccncc3)nc2c1 ZINC000057765253 179657412 /nfs/dbraw/zinc/65/74/12/179657412.db2.gz NMXUOFGGDIADCL-UHFFFAOYSA-N 0 0 210.240 2.328 10 0 BEAERN CC(C)(C)n1cc(C=O)c(Br)n1 ZINC000725247060 538011954 /nfs/dbraw/zinc/01/19/54/538011954.db2.gz GHECBBJWKVNJGK-UHFFFAOYSA-N 0 0 231.093 2.213 10 0 BEAERN Cc1cnc(CCNc2cncc(C)n2)s1 ZINC000302139552 179679572 /nfs/dbraw/zinc/67/95/72/179679572.db2.gz GGVFSNXTVFPSTB-UHFFFAOYSA-N 0 0 234.328 2.205 10 0 BEAERN CCCc1noc2nc(CC)cc(NN)c12 ZINC000669384025 538012702 /nfs/dbraw/zinc/01/27/02/538012702.db2.gz MKTNOKRDQJCVTD-UHFFFAOYSA-N 0 0 220.276 2.023 10 0 BEAERN COC(=O)[C@]1(C)O[C@]1(C)CC1CCCC1 ZINC000669383605 538012711 /nfs/dbraw/zinc/01/27/11/538012711.db2.gz TUGKKDKHVXIVLL-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)Cc1cccs1 ZINC000669383944 538014106 /nfs/dbraw/zinc/01/41/06/538014106.db2.gz YLEJPNSFZTYJTQ-ZJUUUORDSA-N 0 0 246.715 2.188 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)Cc1ccsc1 ZINC000669383932 538014152 /nfs/dbraw/zinc/01/41/52/538014152.db2.gz YEOPTBGUOZNHFJ-ZJUUUORDSA-N 0 0 246.715 2.188 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCC21CCCCC1 ZINC000669384445 538014834 /nfs/dbraw/zinc/01/48/34/538014834.db2.gz WALRWHBWTGMGKK-JOYOIKCWSA-N 0 0 210.273 2.041 10 0 BEAERN C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000054074939 348876201 /nfs/dbraw/zinc/87/62/01/348876201.db2.gz LOJFFWUKBPEMQF-GFCCVEGCSA-N 0 0 248.370 2.376 10 0 BEAERN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]C ZINC000054074764 348876397 /nfs/dbraw/zinc/87/63/97/348876397.db2.gz SXIJULXWAPEZOU-QWHCGFSZSA-N 0 0 248.370 2.422 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]1(C)Cc1cccs1 ZINC000669384371 538015589 /nfs/dbraw/zinc/01/55/89/538015589.db2.gz URSYDSLBXGWSQD-NEPJUHHUSA-N 0 0 240.324 2.401 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC21CCCCC1 ZINC000669384588 538017078 /nfs/dbraw/zinc/01/70/78/538017078.db2.gz YLBSDUYLPDJJRQ-GXFFZTMASA-N 0 0 224.300 2.431 10 0 BEAERN CC1CCC(n2ccc(=O)c(N)c2)CC1 ZINC000725248454 538016509 /nfs/dbraw/zinc/01/65/09/538016509.db2.gz AYFOREVKHNDJKH-UHFFFAOYSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@@H]1CCCC[C@@H]1n1cccc(N)c1=O ZINC000725249272 538019242 /nfs/dbraw/zinc/01/92/42/538019242.db2.gz VPIOONZCQCJKDP-KOLCDFICSA-N 0 0 206.289 2.182 10 0 BEAERN COC(=O)c1cc(N)cn1[C@@H](C)C(C)C ZINC000725249263 538019394 /nfs/dbraw/zinc/01/93/94/538019394.db2.gz QRROTVSQEJSSMR-QMMMGPOBSA-N 0 0 210.277 2.074 10 0 BEAERN Cc1ccccc1CN(C)CC(=O)NC(C)(C)C ZINC000042977534 348992218 /nfs/dbraw/zinc/99/22/18/348992218.db2.gz SERGQOJVSMAHGV-UHFFFAOYSA-N 0 0 248.370 2.342 10 0 BEAERN O=C(C[C@@H](O)C(F)(F)F)c1ccc(F)cc1 ZINC000198778619 348965190 /nfs/dbraw/zinc/96/51/90/348965190.db2.gz YWIQGKHRIXETEI-SECBINFHSA-N 0 0 236.164 2.322 10 0 BEAERN Cc1cnn([C@H]2CCCN(C(=O)CC(C)C)C2)c1 ZINC000105856541 179748212 /nfs/dbraw/zinc/74/82/12/179748212.db2.gz GPMIZBJEGCOLJC-ZDUSSCGKSA-N 0 0 249.358 2.401 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)c1 ZINC000105857052 179745537 /nfs/dbraw/zinc/74/55/37/179745537.db2.gz IPBSVERNNHVECR-XQQFMLRXSA-N 0 0 247.342 2.011 10 0 BEAERN O[C@@H](C1=CCCCO1)[C@@H]1CCCCS1 ZINC000167857533 349080443 /nfs/dbraw/zinc/08/04/43/349080443.db2.gz DAFVANOBWOONKO-QWRGUYRKSA-N 0 0 214.330 2.327 10 0 BEAERN O=C([O-])[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000616574855 349082066 /nfs/dbraw/zinc/08/20/66/349082066.db2.gz ZERXVSHVLKLRSC-RDBSUJKOSA-N 0 0 245.322 2.229 10 0 BEAERN CC(=O)c1cc(O)ccc1OC(F)(F)F ZINC000616575218 349089004 /nfs/dbraw/zinc/08/90/04/349089004.db2.gz BBUQVNHGWHTGNF-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN CC(=O)c1ccc(N2C(=O)N=NC2=O)cc1 ZINC000199312037 349173309 /nfs/dbraw/zinc/17/33/09/349173309.db2.gz XICNGVXXFHWABX-UHFFFAOYSA-N 0 0 217.184 2.401 10 0 BEAERN COc1cc2c(cc1OC)[C@H](C)CC(=O)C2 ZINC000199396633 349213452 /nfs/dbraw/zinc/21/34/52/349213452.db2.gz NHRZZQJPACNMBB-MRVPVSSYSA-N 0 0 220.268 2.323 10 0 BEAERN CC(=O)Nc1cc2c(cc1C)C(=O)CCC2 ZINC000059429609 349220975 /nfs/dbraw/zinc/22/09/75/349220975.db2.gz DIIXLMQBUMLVPO-UHFFFAOYSA-N 0 0 217.268 2.472 10 0 BEAERN CC(=O)c1nc(Cl)ncc1Br ZINC000616581856 349288809 /nfs/dbraw/zinc/28/88/09/349288809.db2.gz CVLHZNLKLHHOLJ-UHFFFAOYSA-N 0 0 235.468 2.095 10 0 BEAERN CC[C@@H](Nc1ccnc(N(C)C)n1)C(C)C ZINC000082924292 349252056 /nfs/dbraw/zinc/25/20/56/349252056.db2.gz UNIXKXGAYRDWNE-SNVBAGLBSA-N 0 0 222.336 2.389 10 0 BEAERN Cn1nc(C(F)F)cc1C(F)(F)F ZINC000211251331 349263360 /nfs/dbraw/zinc/26/33/60/349263360.db2.gz KPYUYVDKUAUSOV-UHFFFAOYSA-N 0 0 200.110 2.377 10 0 BEAERN Cc1[nH]nc2c1nc(C(F)(F)F)nc2Cl ZINC000089212051 179839762 /nfs/dbraw/zinc/83/97/62/179839762.db2.gz HNIPUKGVFOEJKF-UHFFFAOYSA-N 0 0 236.584 2.334 10 0 BEAERN CC[C@@H]1C(=O)CCCN1C(=O)OC(C)(C)C ZINC000211452495 349271129 /nfs/dbraw/zinc/27/11/29/349271129.db2.gz FIALHFQFLJBDQS-SECBINFHSA-N 0 0 227.304 2.365 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1c1cnoc1 ZINC000616584464 349338353 /nfs/dbraw/zinc/33/83/53/349338353.db2.gz GLCAOSLFKRSMBS-CYBMUJFWSA-N 0 0 243.266 2.194 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000422039599 192414790 /nfs/dbraw/zinc/41/47/90/192414790.db2.gz RTTZNNBXKRZXFO-GRYCIOLGSA-N 0 0 241.375 2.431 10 0 BEAERN CC(C)(C)N1c2ccccc2NC[C@@H]1CO ZINC000616583066 349305616 /nfs/dbraw/zinc/30/56/16/349305616.db2.gz BYIQOMOBUOJDRT-SNVBAGLBSA-N 0 0 220.316 2.078 10 0 BEAERN CCCc1cc(=O)n(-c2ccccc2N)[nH]1 ZINC000037470385 168604017 /nfs/dbraw/zinc/60/40/17/168604017.db2.gz ALXFGZFSPQHQIJ-UHFFFAOYSA-N 0 0 217.272 2.162 10 0 BEAERN O=c1[nH]sc2c1c(F)c(F)cc2F ZINC000725254135 538042778 /nfs/dbraw/zinc/04/27/78/538042778.db2.gz LYXAOLXGVOLAAC-UHFFFAOYSA-N 0 0 205.160 2.419 10 0 BEAERN COC(=O)[C@H]1CNc2ccccc2N1C(C)(C)C ZINC000616584945 349364008 /nfs/dbraw/zinc/36/40/08/349364008.db2.gz NUZOIOJJAGYMPT-GFCCVEGCSA-N 0 0 248.326 2.259 10 0 BEAERN COc1ccc2s[nH]c(=O)c2c1OC ZINC000725254202 538044089 /nfs/dbraw/zinc/04/40/89/538044089.db2.gz SWNSNSHXZHZKDU-UHFFFAOYSA-N 0 0 211.242 2.019 10 0 BEAERN CC[C@H](C)c1c(N)n(C(C)C)nc1C(=O)OC ZINC000725254383 538046365 /nfs/dbraw/zinc/04/63/65/538046365.db2.gz LUSSOHJHKSAMOU-QMMMGPOBSA-N 0 0 239.319 2.346 10 0 BEAERN COc1cc([C@@H](C)O)cc(OC)c1Cl ZINC000216532590 350003771 /nfs/dbraw/zinc/00/37/71/350003771.db2.gz NMZJVASGHUFCEQ-ZCFIWIBFSA-N 0 0 216.664 2.411 10 0 BEAERN O=c1cc(O)cc(-c2ccc(F)cc2)[nH]1 ZINC000616590786 350015092 /nfs/dbraw/zinc/01/50/92/350015092.db2.gz KNZCWCMUEOWJKY-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN Nc1ccc([C@H]2CCNc3ccccc32)cn1 ZINC000616586918 349414647 /nfs/dbraw/zinc/41/46/47/349414647.db2.gz FMXQZTPYZPNWIU-LLVKDONJSA-N 0 0 225.295 2.442 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000051733234 350080473 /nfs/dbraw/zinc/08/04/73/350080473.db2.gz IJFGSRTVWXCKBM-MXWKQRLJSA-N 0 0 213.321 2.216 10 0 BEAERN Brc1nccc(-c2cccnc2)n1 ZINC000072204613 191004821 /nfs/dbraw/zinc/00/48/21/191004821.db2.gz BTPBRQDDPGAQPB-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN CC(C)OCCSC1CCOCC1 ZINC000131246658 191009502 /nfs/dbraw/zinc/00/95/02/191009502.db2.gz PWWAZLPDASOOQV-UHFFFAOYSA-N 0 0 204.335 2.324 10 0 BEAERN Cc1nc(Cl)ccc1C(=O)N[C@H]1C[C@H]1C ZINC000123361221 179990307 /nfs/dbraw/zinc/99/03/07/179990307.db2.gz LNDKGJFXEADBDU-MUWHJKNJSA-N 0 0 224.691 2.182 10 0 BEAERN Cc1nc(N2CCCC2)ncc1Br ZINC000096917241 180001612 /nfs/dbraw/zinc/00/16/12/180001612.db2.gz XFZGLELHCKICAE-UHFFFAOYSA-N 0 0 242.120 2.148 10 0 BEAERN Cc1nc(NC(=O)C[C@@H](C)C(C)(C)C)n[nH]1 ZINC000108810234 180007037 /nfs/dbraw/zinc/00/70/37/180007037.db2.gz KVDFFFNAEGOPGC-SSDOTTSWSA-N 0 0 224.308 2.124 10 0 BEAERN Cc1nc(-c2ccncc2)cc(=S)[nH]1 ZINC000045956391 180029116 /nfs/dbraw/zinc/02/91/16/180029116.db2.gz LCPZHUZWCODKBD-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN Cc1nc([C@@H](C)Nc2cn[nH]c2)cs1 ZINC000036915615 180038107 /nfs/dbraw/zinc/03/81/07/180038107.db2.gz RHUOYOIZCPPZRP-ZCFIWIBFSA-N 0 0 208.290 2.348 10 0 BEAERN Cc1nc([C@@H](N)c2ccco2)sc1C ZINC000011822564 180038899 /nfs/dbraw/zinc/03/88/99/180038899.db2.gz MWJBWGKQPDDSFE-VIFPVBQESA-N 0 0 208.286 2.401 10 0 BEAERN Cc1cc([C@H](N)c2noc(C)n2)c(C)s1 ZINC000049687978 180039462 /nfs/dbraw/zinc/03/94/62/180039462.db2.gz XZKLMHCLOAJTBW-VIFPVBQESA-N 0 0 223.301 2.104 10 0 BEAERN Cc1nc([C@H](C)NC(=O)c2cccnc2)cs1 ZINC000170524751 180049148 /nfs/dbraw/zinc/04/91/48/180049148.db2.gz YEAWESMONMQAOT-QMMMGPOBSA-N 0 0 247.323 2.338 10 0 BEAERN Cc1nc([C@H](C)Nc2cnn(C)c2)cs1 ZINC000036915610 180052901 /nfs/dbraw/zinc/05/29/01/180052901.db2.gz DYAPGSMGAQFANX-ZETCQYMHSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nc2c(Br)cccn2c1C=O ZINC000036244341 180060197 /nfs/dbraw/zinc/06/01/97/180060197.db2.gz FDSLBIDSFMGTGG-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN CC[C@@H](NCc1cscn1)c1nccn1C ZINC000132140151 191025427 /nfs/dbraw/zinc/02/54/27/191025427.db2.gz GLQQSFJZPYKRSN-SNVBAGLBSA-N 0 0 236.344 2.118 10 0 BEAERN CC[C@H](C)c1csc(CS(C)(=O)=O)n1 ZINC000132521095 191033300 /nfs/dbraw/zinc/03/33/00/191033300.db2.gz ZJUQVVWVEKNYKZ-ZETCQYMHSA-N 0 0 233.358 2.201 10 0 BEAERN Cc1nc2cc(Cl)ccc2n1CCCO ZINC000040402288 180079505 /nfs/dbraw/zinc/07/95/05/180079505.db2.gz XKPCFLQOHAXRQI-UHFFFAOYSA-N 0 0 224.691 2.381 10 0 BEAERN C[C@@H](c1ccc(C(C)(C)C)cc1)S(N)(=O)=O ZINC000050350394 538055824 /nfs/dbraw/zinc/05/58/24/538055824.db2.gz DSQKOZVIXNQOAI-VIFPVBQESA-N 0 0 241.356 2.334 10 0 BEAERN Cc1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3 ZINC000029307548 180087807 /nfs/dbraw/zinc/08/78/07/180087807.db2.gz GVTSHWPIZMVHHT-UHFFFAOYSA-N 0 0 215.256 2.101 10 0 BEAERN Cc1nc2ccc(-n3ccnc3)cc2nc1C ZINC000039124251 180088095 /nfs/dbraw/zinc/08/80/95/180088095.db2.gz AOSOWDMAZMVJMK-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN Cc1nc2ccc(Cl)cc2n1C[C@H](C)O ZINC000005116462 180090501 /nfs/dbraw/zinc/09/05/01/180090501.db2.gz BRCANRFFTFNXPU-ZETCQYMHSA-N 0 0 224.691 2.379 10 0 BEAERN Cc1nc2ccc(Cl)cc2n1CCCO ZINC000040402290 180090527 /nfs/dbraw/zinc/09/05/27/180090527.db2.gz VNASDNYFOVFSDD-UHFFFAOYSA-N 0 0 224.691 2.381 10 0 BEAERN C[C@H]1CCC(=O)N[C@@H](C(F)(F)F)CC1 ZINC000725255772 538053561 /nfs/dbraw/zinc/05/35/61/538053561.db2.gz AMPSDFQDDAAUSQ-RNFRBKRXSA-N 0 0 209.211 2.244 10 0 BEAERN Cc1nc2c(c(N[C@@H]3C[C@@H]3C)n1)CCCC2 ZINC000302041192 180069759 /nfs/dbraw/zinc/06/97/59/180069759.db2.gz IBEHOXVJPUNQPF-QPUJVOFHSA-N 0 0 217.316 2.484 10 0 BEAERN Cc1nc2c(c(N[C@@H]3CCO[C@H]3C)n1)CCCC2 ZINC000302069626 180070877 /nfs/dbraw/zinc/07/08/77/180070877.db2.gz DRJWIIRCOZVIIK-JOYOIKCWSA-N 0 0 247.342 2.253 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ncc(Cl)s1 ZINC000307366126 490343997 /nfs/dbraw/zinc/34/39/97/490343997.db2.gz KKDWSXAFASTXAE-BQBZGAKWSA-N 0 0 232.736 2.369 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1CCCN1C(F)(F)F ZINC000725256486 538057680 /nfs/dbraw/zinc/05/76/80/538057680.db2.gz PWVXIZHHUZUOSZ-SSDOTTSWSA-N 0 0 239.237 2.312 10 0 BEAERN Cc1nc2cccc(OC[C@H]3CO3)c2s1 ZINC000039645136 180099979 /nfs/dbraw/zinc/09/99/79/180099979.db2.gz GTWJCBGHLVAPQB-MRVPVSSYSA-N 0 0 221.281 2.382 10 0 BEAERN c1cn(-c2ccccc2-n2ccnc2)cn1 ZINC000220216798 350166944 /nfs/dbraw/zinc/16/69/44/350166944.db2.gz HUOKFCXSSKKFOG-UHFFFAOYSA-N 0 0 210.240 2.058 10 0 BEAERN CSc1nncc(-c2cccs2)n1 ZINC000033864758 350167143 /nfs/dbraw/zinc/16/71/43/350167143.db2.gz RCEPWGCIEWKWEI-UHFFFAOYSA-N 0 0 209.299 2.322 10 0 BEAERN Cc1nc2ccccc2n1CCCC(N)=S ZINC000019471198 180104631 /nfs/dbraw/zinc/10/46/31/180104631.db2.gz CMXQSWSEMHWDAZ-UHFFFAOYSA-N 0 0 233.340 2.411 10 0 BEAERN CCOC(=O)c1cc2cc(F)ccc2n1C ZINC000034453188 350171612 /nfs/dbraw/zinc/17/16/12/350171612.db2.gz QIZYMGRKSHRZEY-UHFFFAOYSA-N 0 0 221.231 2.494 10 0 BEAERN CC(C)(C)n1ccc2c1nc(N)nc2Cl ZINC000098179297 191061899 /nfs/dbraw/zinc/06/18/99/191061899.db2.gz FCTFKSRJWWTGJW-UHFFFAOYSA-N 0 0 224.695 2.422 10 0 BEAERN Cc1nc2sccn2c1CNc1ccn(C)n1 ZINC000037560622 180117178 /nfs/dbraw/zinc/11/71/78/180117178.db2.gz QNSGSPBPFDDOSW-UHFFFAOYSA-N 0 0 247.327 2.050 10 0 BEAERN Cc1nc[nH]c1CNC(=O)C[C@H](C)C(C)(C)C ZINC000331083107 180118568 /nfs/dbraw/zinc/11/85/68/180118568.db2.gz MUXHQIJFPUJXPM-VIFPVBQESA-N 0 0 237.347 2.407 10 0 BEAERN Cn1nccc1-c1cc(Cl)n(C2CC2)n1 ZINC000725257549 538066038 /nfs/dbraw/zinc/06/60/38/538066038.db2.gz QHOIPNBSXBQOAW-UHFFFAOYSA-N 0 0 222.679 2.272 10 0 BEAERN Cc1nc[nH]c1CNc1ccc2c(c1)OCO2 ZINC000054793947 180122269 /nfs/dbraw/zinc/12/22/69/180122269.db2.gz ZAQICNNYCQPMRG-UHFFFAOYSA-N 0 0 231.255 2.059 10 0 BEAERN COc1cc(C=O)cc2c(N(C)C)cc(C)nc12 ZINC000034320064 350169059 /nfs/dbraw/zinc/16/90/59/350169059.db2.gz VZTSVYQGSWRLHZ-UHFFFAOYSA-N 0 0 244.294 2.430 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1ccccc1F ZINC000103389765 191065755 /nfs/dbraw/zinc/06/57/55/191065755.db2.gz OCMJPEVZTBJSBN-VIFPVBQESA-N 0 0 225.263 2.071 10 0 BEAERN CC(C)[C@H](C)NC(=O)/C=C/c1cncc(F)c1 ZINC000104227623 191065924 /nfs/dbraw/zinc/06/59/24/191065924.db2.gz RTPXSIYQSUYFPH-YEZKRMTDSA-N 0 0 236.290 2.395 10 0 BEAERN Cc1ncc(N)cc1C(=O)OCc1ccccc1 ZINC000041086687 180164099 /nfs/dbraw/zinc/16/40/99/180164099.db2.gz YCSCJBWTONHYNS-UHFFFAOYSA-N 0 0 242.278 2.329 10 0 BEAERN Cc1ncc(N)cc1C(=O)NCCC1CCCC1 ZINC000038095284 180164221 /nfs/dbraw/zinc/16/42/21/180164221.db2.gz ZNCDZWDBDXLVMH-UHFFFAOYSA-N 0 0 247.342 2.282 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000038094865 180164381 /nfs/dbraw/zinc/16/43/81/180164381.db2.gz QIAMPMGRUPECDB-RNCFNFMXSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncc(N)cc1C(=O)N(CC1CC1)C(C)C ZINC000042561940 180164609 /nfs/dbraw/zinc/16/46/09/180164609.db2.gz QEGZDHUFGXWQGA-UHFFFAOYSA-N 0 0 247.342 2.233 10 0 BEAERN Cc1ncc(N)cc1C(=O)OC1CCCC1 ZINC000048671337 180164627 /nfs/dbraw/zinc/16/46/27/180164627.db2.gz TYDMCNJYTDIGSL-UHFFFAOYSA-N 0 0 220.272 2.072 10 0 BEAERN Nc1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000072236815 350191538 /nfs/dbraw/zinc/19/15/38/350191538.db2.gz SUFSGDSBJGIRHD-UHFFFAOYSA-N 0 0 228.177 2.073 10 0 BEAERN Cc1nccc(NC2(CO)CCC(C)CC2)n1 ZINC000054936583 180198675 /nfs/dbraw/zinc/19/86/75/180198675.db2.gz LBEQCWXEAGTVEU-UHFFFAOYSA-N 0 0 235.331 2.138 10 0 BEAERN Cc1nccc(Oc2ccc(N)c(C)c2)n1 ZINC000054936630 180207943 /nfs/dbraw/zinc/20/79/43/180207943.db2.gz OUVYOBXKXWIYOS-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1nc([C@@H](C)Nc2ccnc(C)n2)cs1 ZINC000336776260 180182077 /nfs/dbraw/zinc/18/20/77/180182077.db2.gz FHQTWSHZRHBRPD-SSDOTTSWSA-N 0 0 234.328 2.145 10 0 BEAERN O=C(NCC(F)F)Nc1cccs1 ZINC000072929408 350232725 /nfs/dbraw/zinc/23/27/25/350232725.db2.gz KLLNTSKTYGOBTD-UHFFFAOYSA-N 0 0 206.217 2.135 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000252204528 538085479 /nfs/dbraw/zinc/08/54/79/538085479.db2.gz WXNDMWQNSVWYEC-RBLKWDMZSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nc2cc(F)c(NC3CC3)cc2c(=O)[nH]1 ZINC000725262002 538087893 /nfs/dbraw/zinc/08/78/93/538087893.db2.gz QHWYAONBMLUYNS-UHFFFAOYSA-N 0 0 233.246 2.357 10 0 BEAERN CC(C)(C1CCC(C)(C)CC1)S(N)(=O)=O ZINC000725261479 538086839 /nfs/dbraw/zinc/08/68/39/538086839.db2.gz SCACGLKVGDVRHX-UHFFFAOYSA-N 0 0 233.377 2.270 10 0 BEAERN C[C@@H]1CC[C@@H](C(C)(C)S(N)(=O)=O)C[C@H]1C ZINC000725261543 538086896 /nfs/dbraw/zinc/08/68/96/538086896.db2.gz ZOFGRCQFNKJNHD-OPRDCNLKSA-N 0 0 233.377 2.126 10 0 BEAERN Cc1nccn1CCOc1ccccc1[C@@H](C)O ZINC000049330913 180261920 /nfs/dbraw/zinc/26/19/20/180261920.db2.gz WSIISALNGTXZJM-LLVKDONJSA-N 0 0 246.310 2.324 10 0 BEAERN CCCc1nsc(N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000083653110 350271387 /nfs/dbraw/zinc/27/13/87/350271387.db2.gz QQQAKERUFLTLPY-IUCAKERBSA-N 0 0 241.360 2.470 10 0 BEAERN Nc1cccc(Sc2nncs2)c1 ZINC000037668159 350286136 /nfs/dbraw/zinc/28/61/36/350286136.db2.gz ZLUTWUJGIZATEI-UHFFFAOYSA-N 0 0 209.299 2.272 10 0 BEAERN CO[C@H]1CCCc2c(CO)cc(Cl)nc21 ZINC000725260335 538082701 /nfs/dbraw/zinc/08/27/01/538082701.db2.gz PVWFWJYIXBJLAQ-VIFPVBQESA-N 0 0 227.691 2.251 10 0 BEAERN CC(C)c1nsc(N[C@H]2CCCC[C@H]2O)n1 ZINC000083668457 350279590 /nfs/dbraw/zinc/27/95/90/350279590.db2.gz CZLHRJCKCJRYFT-DTWKUNHWSA-N 0 0 241.360 2.377 10 0 BEAERN O=C(Cn1cc(Cl)cn1)c1ccccc1 ZINC000038053781 350300293 /nfs/dbraw/zinc/30/02/93/350300293.db2.gz KTQSEHOIDCTHSQ-UHFFFAOYSA-N 0 0 220.659 2.419 10 0 BEAERN Clc1cnn(-c2nsnc2Cl)c1 ZINC000038053919 350301302 /nfs/dbraw/zinc/30/13/02/350301302.db2.gz FTVTYBLAZJOPQI-UHFFFAOYSA-N 0 0 221.072 2.031 10 0 BEAERN Cc1ccc(CC(=O)[C@@H]2CCCO2)cc1 ZINC000038126985 350307968 /nfs/dbraw/zinc/30/79/68/350307968.db2.gz UZVWLUSQCYVCAN-ZDUSSCGKSA-N 0 0 204.269 2.286 10 0 BEAERN CC(C)NC(=O)NC(C)(C)c1ccc(N)cc1 ZINC000725264298 538090585 /nfs/dbraw/zinc/09/05/85/538090585.db2.gz HKSYEEJFXCIRSZ-UHFFFAOYSA-N 0 0 235.331 2.212 10 0 BEAERN Cc1ncsc1[C@H](C)NCc1cc[nH]n1 ZINC000041015613 180327277 /nfs/dbraw/zinc/32/72/77/180327277.db2.gz NSIZQCGKYAJOHB-ZETCQYMHSA-N 0 0 222.317 2.025 10 0 BEAERN Cc1nn(-c2ccccc2F)c(N)c1C ZINC000045628349 180330075 /nfs/dbraw/zinc/33/00/75/180330075.db2.gz SMOKHPOZBDSVBV-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)c1ccccc1F ZINC000075872263 180334949 /nfs/dbraw/zinc/33/49/49/180334949.db2.gz XFVDZJJKRIKBIE-UHFFFAOYSA-N 0 0 232.258 2.407 10 0 BEAERN COc1cc(F)cc2[nH]nc(Br)c21 ZINC000014984170 350439490 /nfs/dbraw/zinc/43/94/90/350439490.db2.gz MJOMPNAUWFOBEV-UHFFFAOYSA-N 0 0 245.051 2.473 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccccc2)c1C=O ZINC000034957006 180352194 /nfs/dbraw/zinc/35/21/94/180352194.db2.gz BSFPAGBIWIOBCS-UHFFFAOYSA-N 0 0 243.310 2.177 10 0 BEAERN Cc1nn(C)c(N(CC2CC2)C(C)C)c1C=O ZINC000042585226 180352654 /nfs/dbraw/zinc/35/26/54/180352654.db2.gz CQEFPEIPRDNPAJ-UHFFFAOYSA-N 0 0 235.331 2.166 10 0 BEAERN Cc1nn(C)c(N(CC(C)C)C(C)C)c1CO ZINC000042586223 180352893 /nfs/dbraw/zinc/35/28/93/180352893.db2.gz GGGDIIOESOLNCQ-UHFFFAOYSA-N 0 0 239.363 2.092 10 0 BEAERN Cc1nn(C)c(N(C)c2ccccc2)c1C=O ZINC000034956991 180352957 /nfs/dbraw/zinc/35/29/57/180352957.db2.gz ZEMYHEVGSWLPQS-UHFFFAOYSA-N 0 0 229.283 2.309 10 0 BEAERN Cc1nn(C)c(N)c1-c1cccc(F)c1 ZINC000026511720 180353099 /nfs/dbraw/zinc/35/30/99/180353099.db2.gz VOZMEPPTDKDYPD-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cc1nn(C)c(N)c1-c1ccc(F)cc1 ZINC000026511723 180353848 /nfs/dbraw/zinc/35/38/48/180353848.db2.gz DXBQDNTXXKSCMW-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cc1nn(C)c(N2CCCCCCC2)c1C=O ZINC000034957044 180355589 /nfs/dbraw/zinc/35/55/89/180355589.db2.gz PNDAEYIDIJCNPS-UHFFFAOYSA-N 0 0 235.331 2.312 10 0 BEAERN Cc1nn(C)c(N[C@@H]2CCC[C@@H](C)C2)c1N ZINC000036749329 180360523 /nfs/dbraw/zinc/36/05/23/180360523.db2.gz OTVJXEDEMJKOIA-PSASIEDQSA-N 0 0 222.336 2.301 10 0 BEAERN NCC(F)(F)CNc1nccc2ccccc21 ZINC000162694122 350413115 /nfs/dbraw/zinc/41/31/15/350413115.db2.gz KBMLTLIQQXYVKZ-UHFFFAOYSA-N 0 0 237.253 2.241 10 0 BEAERN CC(C)(NC(=O)C1(C)CC1)c1ccc(N)cc1 ZINC000725264646 538092058 /nfs/dbraw/zinc/09/20/58/538092058.db2.gz ZUTTWRAWSAHJSQ-UHFFFAOYSA-N 0 0 232.327 2.420 10 0 BEAERN Cc1nn(C)c(N[C@H]2CCCC[C@H]2C)c1N ZINC000036749077 180359725 /nfs/dbraw/zinc/35/97/25/180359725.db2.gz YVEIZPDZVZZMSV-SCZZXKLOSA-N 0 0 222.336 2.301 10 0 BEAERN Cc1nn(C)c(O[C@@H]2CCC[C@H](C)C2)c1N ZINC000036749584 180360712 /nfs/dbraw/zinc/36/07/12/180360712.db2.gz HUEJBKAOUMXAAZ-WCBMZHEXSA-N 0 0 223.320 2.268 10 0 BEAERN Cc1nn(C)c(N[C@@H]2CCCC[C@H]2C)c1N ZINC000036749076 180359957 /nfs/dbraw/zinc/35/99/57/180359957.db2.gz YVEIZPDZVZZMSV-PSASIEDQSA-N 0 0 222.336 2.301 10 0 BEAERN Cc1nn(C)c(O[C@H]2CCC[C@H](C)C2)c1N ZINC000036749585 180361401 /nfs/dbraw/zinc/36/14/01/180361401.db2.gz HUEJBKAOUMXAAZ-WPRPVWTQSA-N 0 0 223.320 2.268 10 0 BEAERN Cc1nn(C)c(Oc2ccccc2F)c1N ZINC000036749480 180362338 /nfs/dbraw/zinc/36/23/38/180362338.db2.gz YAHOHSRATLGYHI-UHFFFAOYSA-N 0 0 221.235 2.242 10 0 BEAERN Nc1cnc(NCc2ccccc2)s1 ZINC000226723172 350450983 /nfs/dbraw/zinc/45/09/83/350450983.db2.gz OPOKKPXLICUNJE-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN Cc1nn(C)cc1-c1nc2cc(N)ccc2o1 ZINC000082350852 180365275 /nfs/dbraw/zinc/36/52/75/180365275.db2.gz YLOXQRYEQLWNLQ-UHFFFAOYSA-N 0 0 228.255 2.119 10 0 BEAERN CC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H]1C(=O)[O-] ZINC000251859457 362957233 /nfs/dbraw/zinc/95/72/33/362957233.db2.gz SPUJASWARSQWRJ-MXWKQRLJSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@H](C1CCCC1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000251857495 362957238 /nfs/dbraw/zinc/95/72/38/362957238.db2.gz SCUOXWHJRIMWCV-GHMZBOCLSA-N 0 0 209.333 2.476 10 0 BEAERN O=Cc1cn(CC2CC2)nc1-c1ccncc1 ZINC000409437089 350479713 /nfs/dbraw/zinc/47/97/13/350479713.db2.gz DJSFLEWTPKQSKA-UHFFFAOYSA-N 0 0 227.267 2.168 10 0 BEAERN Cc1nn2ccn(C)c2c1-c1cccnc1 ZINC000409437131 350480405 /nfs/dbraw/zinc/48/04/05/350480405.db2.gz CJWDEZGSFVTXBP-UHFFFAOYSA-N 0 0 212.256 2.043 10 0 BEAERN CC(C)(C)c1ccc2c(c1)OC[C@@H](O)CO2 ZINC000409443494 350482952 /nfs/dbraw/zinc/48/29/52/350482952.db2.gz NWYDYCPVLCLBGE-JTQLQIEISA-N 0 0 222.284 2.116 10 0 BEAERN CC(C)=CC(=O)N[C@H]1COc2ccccc21 ZINC000058726141 350486773 /nfs/dbraw/zinc/48/67/73/350486773.db2.gz XIQIXAHPOSIASU-NSHDSACASA-N 0 0 217.268 2.203 10 0 BEAERN Cc1nnc(-c2sccc2N)n1C(C)C ZINC000042030948 180395580 /nfs/dbraw/zinc/39/55/80/180395580.db2.gz ZYFXGMQRLPAEDY-UHFFFAOYSA-N 0 0 222.317 2.478 10 0 BEAERN Cc1nn([C@H]2CCCCC[C@@H]2O)c(N)c1Cl ZINC000054600342 180393023 /nfs/dbraw/zinc/39/30/23/180393023.db2.gz UJEXQNDFIIQHNX-IUCAKERBSA-N 0 0 243.738 2.293 10 0 BEAERN Cc1nn2c3c(sc2c1N)CCCC3 ZINC000039105648 180394805 /nfs/dbraw/zinc/39/48/05/180394805.db2.gz ZLRLLFGGURFWDJ-UHFFFAOYSA-N 0 0 207.302 2.165 10 0 BEAERN Cc1nn2c(C(=O)c3ccccc3)cnc2s1 ZINC000072417442 180394914 /nfs/dbraw/zinc/39/49/14/180394914.db2.gz DRRGJGDVUKTYAG-UHFFFAOYSA-N 0 0 243.291 2.330 10 0 BEAERN CCC(C)(C)c1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266316 538094979 /nfs/dbraw/zinc/09/49/79/538094979.db2.gz HAUSUTWSVINDJC-UHFFFAOYSA-N 0 0 239.319 2.448 10 0 BEAERN Cc1nnc(-c2ccc(N)c(F)c2)n1C1CC1 ZINC000063010076 180396718 /nfs/dbraw/zinc/39/67/18/180396718.db2.gz HNEAHWRBBOXHHM-UHFFFAOYSA-N 0 0 232.262 2.310 10 0 BEAERN Cc1nnc(Br)n1-c1ccccc1 ZINC000038890752 180397178 /nfs/dbraw/zinc/39/71/78/180397178.db2.gz UGTBVKGKRLQZKU-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN COCCC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000128822665 350538828 /nfs/dbraw/zinc/53/88/28/350538828.db2.gz VAMWATZAXIJPGN-CYBMUJFWSA-N 0 0 249.354 2.421 10 0 BEAERN Cc1nnc(COc2cccc3c2NCCC3)o1 ZINC000038056333 180415526 /nfs/dbraw/zinc/41/55/26/180415526.db2.gz JGPDVHSAOFFGEN-UHFFFAOYSA-N 0 0 245.282 2.315 10 0 BEAERN O=C(CSCCO)c1ccc(Cl)cc1 ZINC000037352812 362966768 /nfs/dbraw/zinc/96/67/68/362966768.db2.gz GJAHQEQPADYCKN-UHFFFAOYSA-N 0 0 230.716 2.248 10 0 BEAERN CCc1ccc(C(=O)CSCCO)cc1 ZINC000037352860 362967011 /nfs/dbraw/zinc/96/70/11/362967011.db2.gz ITKVQUKTZYHOMR-UHFFFAOYSA-N 0 0 224.325 2.157 10 0 BEAERN C[C@@H](c1n[nH]nc1C(=O)OC(C)(C)C)C1CC1 ZINC000725266418 538095681 /nfs/dbraw/zinc/09/56/81/538095681.db2.gz VWEKFLCMKIRKOT-SSDOTTSWSA-N 0 0 237.303 2.274 10 0 BEAERN C[C@@H]1CC[C@@H](C)[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000222223877 350561636 /nfs/dbraw/zinc/56/16/36/350561636.db2.gz HMKWALUGEGJMAL-KBVBSXBZSA-N 0 0 211.305 2.018 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1c1ccno1 ZINC000616593945 350586002 /nfs/dbraw/zinc/58/60/02/350586002.db2.gz MTEUFSRZERAVJI-ZDUSSCGKSA-N 0 0 244.294 2.161 10 0 BEAERN CCC[C@H](CCCN[C@H](CC)C(=O)OC)OC ZINC000725267010 538097132 /nfs/dbraw/zinc/09/71/32/538097132.db2.gz QBAACVBIZRRPMD-VXGBXAGGSA-N 0 0 245.363 2.123 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CCCO[C@H](C)C1 ZINC000171422266 535145656 /nfs/dbraw/zinc/14/56/56/535145656.db2.gz PCOURLOLZKBTMY-NWDGAFQWSA-N 0 0 227.348 2.306 10 0 BEAERN O=C1C[C@H](c2cc(F)cc(Cl)c2)CN1 ZINC000159487921 350607718 /nfs/dbraw/zinc/60/77/18/350607718.db2.gz MYKRJJNYHXRCSB-ZETCQYMHSA-N 0 0 213.639 2.083 10 0 BEAERN CNc1ccccc1[C@@H]1CCOCC[N@@H+]1C ZINC000616597450 350650996 /nfs/dbraw/zinc/65/09/96/350650996.db2.gz FSPMYKSDTIQWCF-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1c1ncco1 ZINC000616597061 350636562 /nfs/dbraw/zinc/63/65/62/350636562.db2.gz MBUIRBHSXRYBDO-JTQLQIEISA-N 0 0 224.304 2.237 10 0 BEAERN Cc1noc(C)c1N(C)CCc1ccccn1 ZINC000089532494 180477044 /nfs/dbraw/zinc/47/70/44/180477044.db2.gz KLXXLCSRERZSKP-UHFFFAOYSA-N 0 0 231.299 2.365 10 0 BEAERN CCOC(=O)c1cc2[nH]cc(C)cc-2n1 ZINC000095920080 350666807 /nfs/dbraw/zinc/66/68/07/350666807.db2.gz QZLQZIBNGYYSDO-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CC1(CNc2nsnc2Cl)CC1 ZINC000232847202 350669130 /nfs/dbraw/zinc/66/91/30/350669130.db2.gz YAQRQPXKYGRQNO-UHFFFAOYSA-N 0 0 203.698 2.404 10 0 BEAERN Nc1ccc2nc(C3CCOCC3)c(O)cc2c1 ZINC000725267489 538098528 /nfs/dbraw/zinc/09/85/28/538098528.db2.gz KTIILBRUKKUUOT-UHFFFAOYSA-N 0 0 244.294 2.417 10 0 BEAERN CC(C)Cc1nsc(N[C@H]2CCC[C@H]2O)n1 ZINC000302325244 191119200 /nfs/dbraw/zinc/11/92/00/191119200.db2.gz XSYYIRCYKMMXQO-DTWKUNHWSA-N 0 0 241.360 2.062 10 0 BEAERN OC[C@H](CCNc1ccccc1)[C@H]1CCOC1 ZINC000725267728 538098785 /nfs/dbraw/zinc/09/87/85/538098785.db2.gz UMFMJITWHCQFFX-STQMWFEESA-N 0 0 235.327 2.134 10 0 BEAERN CC[N@@H+]1CCOCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616599609 350753944 /nfs/dbraw/zinc/75/39/44/350753944.db2.gz SMZOKYNUDWNUHD-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CC(C)(C)c1nsc(N[C@@H]2CCC[C@@H]2O)n1 ZINC000302383940 191119629 /nfs/dbraw/zinc/11/96/29/191119629.db2.gz CCDIFFKXJAJRAS-SFYZADRCSA-N 0 0 241.360 2.161 10 0 BEAERN CC1(NC(=O)C(F)(F)Cl)CCCC1 ZINC000306672594 350814965 /nfs/dbraw/zinc/81/49/65/350814965.db2.gz MFERJNLMGANXAF-UHFFFAOYSA-N 0 0 211.639 2.267 10 0 BEAERN COc1cccc2c1N[C@@H](C(C)(C)C)[C@@H](O)C2 ZINC000725267932 538099461 /nfs/dbraw/zinc/09/94/61/538099461.db2.gz CIZNPIONEJULQT-GXFFZTMASA-N 0 0 235.327 2.439 10 0 BEAERN CC(C)(C)N1CCCOC[C@@H]1OC(F)(F)F ZINC000616600008 350778639 /nfs/dbraw/zinc/77/86/39/350778639.db2.gz WVXLXWGSXAGQGQ-QMMMGPOBSA-N 0 0 241.253 2.370 10 0 BEAERN CC(C)[C@@H](O)Cc1ncccc1Br ZINC000063039317 350787332 /nfs/dbraw/zinc/78/73/32/350787332.db2.gz UVVSPUVCHLHYOU-JTQLQIEISA-N 0 0 244.132 2.404 10 0 BEAERN COC(=O)N1CCCC[C@H](c2ccncc2)C1 ZINC000616602318 350791071 /nfs/dbraw/zinc/79/10/71/350791071.db2.gz KZRARGFDOCUFFY-LBPRGKRZSA-N 0 0 234.299 2.418 10 0 BEAERN COC(=O)N1CCC[C@H]1c1ccc(CO)cc1 ZINC000616607935 350801802 /nfs/dbraw/zinc/80/18/02/350801802.db2.gz YQKLRKXJACVGRO-LBPRGKRZSA-N 0 0 235.283 2.082 10 0 BEAERN CCOC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000616610755 350806710 /nfs/dbraw/zinc/80/67/10/350806710.db2.gz XEVHOIOHXNFIKI-NSHDSACASA-N 0 0 220.272 2.027 10 0 BEAERN CC(=O)N1CCC[C@H]1c1cc2ccccc2nn1 ZINC000616610060 350807444 /nfs/dbraw/zinc/80/74/44/350807444.db2.gz LLKHKCWHHZLODM-AWEZNQCLSA-N 0 0 241.294 2.313 10 0 BEAERN CNc1cccc([C@H]2CCN(C(=O)OC)C2)c1 ZINC000616610199 350808438 /nfs/dbraw/zinc/80/84/38/350808438.db2.gz KHBFYQCYPGEOHO-NSHDSACASA-N 0 0 234.299 2.284 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cnco1 ZINC000616611609 350809872 /nfs/dbraw/zinc/80/98/72/350809872.db2.gz GUVDCWZKKWTLLR-SECBINFHSA-N 0 0 224.260 2.358 10 0 BEAERN CNc1ccc([C@@H]2CCN(C(=O)OC)C2)cc1 ZINC000616611168 350810127 /nfs/dbraw/zinc/81/01/27/350810127.db2.gz BQOSPZDGFQXOBL-LLVKDONJSA-N 0 0 234.299 2.284 10 0 BEAERN S=C1N=NC(NC[C@H]2CCCSC2)S1 ZINC000306679259 350834189 /nfs/dbraw/zinc/83/41/89/350834189.db2.gz IAJHCOIGPTUIKY-ZCFIWIBFSA-N 0 0 247.414 2.382 10 0 BEAERN NNc1cc2cccc(F)c2nc1[C@H]1CCOC1 ZINC000725268088 538099610 /nfs/dbraw/zinc/09/96/10/538099610.db2.gz JCSZUGPTSQULIZ-VIFPVBQESA-N 0 0 247.273 2.163 10 0 BEAERN CC[S@@](C)(=O)=Nc1ccc(N)c(C)c1 ZINC000306682967 350839594 /nfs/dbraw/zinc/83/95/94/350839594.db2.gz UBYDPZUIAWPBOX-CQSZACIVSA-N 0 0 212.318 2.326 10 0 BEAERN COc1ccsc1[C@@H](O)c1ccsn1 ZINC000306683776 350841113 /nfs/dbraw/zinc/84/11/13/350841113.db2.gz XMCQXYZTKJUASH-QMMMGPOBSA-N 0 0 227.310 2.295 10 0 BEAERN O[C@@H](Cc1csnn1)c1ccoc1Cl ZINC000306686078 350843450 /nfs/dbraw/zinc/84/34/50/350843450.db2.gz JUHXXUVLTMHBTM-ZETCQYMHSA-N 0 0 230.676 2.061 10 0 BEAERN NNc1cc2cc(F)ccc2nc1[C@H]1CCOC1 ZINC000725268075 538099654 /nfs/dbraw/zinc/09/96/54/538099654.db2.gz IOWUDGDFRWAVDJ-QMMMGPOBSA-N 0 0 247.273 2.163 10 0 BEAERN Cc1nnc(Cl)n1[C@@H](C)C(F)(F)F ZINC000306697803 350847972 /nfs/dbraw/zinc/84/79/72/350847972.db2.gz GIXZVUKIYLFXRB-VKHMYHEASA-N 0 0 213.590 2.363 10 0 BEAERN CC(C)OC(=O)Nc1n[nH]cc1Br ZINC000306700406 350849007 /nfs/dbraw/zinc/84/90/07/350849007.db2.gz FPZHVBQXLZRIJU-UHFFFAOYSA-N 0 0 248.080 2.129 10 0 BEAERN CCOC(=O)Nc1scnc1CC ZINC000306702864 350849495 /nfs/dbraw/zinc/84/94/95/350849495.db2.gz HYQPPMUXEANRJU-UHFFFAOYSA-N 0 0 200.263 2.274 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616616023 350853119 /nfs/dbraw/zinc/85/31/19/350853119.db2.gz LUKZXZQQBLRNOE-HNNXBMFYSA-N 0 0 247.338 2.295 10 0 BEAERN C[C@]1([C@@H]2CC(=O)CCO2)CCCS1 ZINC000306704942 350853339 /nfs/dbraw/zinc/85/33/39/350853339.db2.gz CSKGNJWIMXQSNR-VHSXEESVSA-N 0 0 200.303 2.020 10 0 BEAERN CNc1ccc([C@@H]2CCCCN2C(N)=O)cc1 ZINC000616616444 350855229 /nfs/dbraw/zinc/85/52/29/350855229.db2.gz ULTVSVMQBQQXCC-LBPRGKRZSA-N 0 0 233.315 2.334 10 0 BEAERN CCOC(=O)N1CCC[C@H](C(F)F)C1 ZINC000616617111 350861688 /nfs/dbraw/zinc/86/16/88/350861688.db2.gz HBZLXHHBLAHZIH-ZETCQYMHSA-N 0 0 207.220 2.120 10 0 BEAERN Cc1c[nH]c(=S)n1C[C@@H]1CCSC1 ZINC000228599483 350826992 /nfs/dbraw/zinc/82/69/92/350826992.db2.gz RTQKVZBUWKAQOB-QMMMGPOBSA-N 0 0 214.359 2.233 10 0 BEAERN Cc1cn(C[C@@H]2CCSC2)c(=S)[nH]1 ZINC000228599551 350827096 /nfs/dbraw/zinc/82/70/96/350827096.db2.gz LQFPEVXPAXLINJ-QMMMGPOBSA-N 0 0 214.359 2.233 10 0 BEAERN C[C@H](NC1=N[C@H](C)CS1)C(C)(F)F ZINC000306729803 350899335 /nfs/dbraw/zinc/89/93/35/350899335.db2.gz DETYKLYXUNFBOB-RITPCOANSA-N 0 0 208.277 2.111 10 0 BEAERN C[C@@H](NC1=N[C@H](C)CS1)C(C)(F)F ZINC000306729802 350899431 /nfs/dbraw/zinc/89/94/31/350899431.db2.gz DETYKLYXUNFBOB-PHDIDXHHSA-N 0 0 208.277 2.111 10 0 BEAERN CCN(CC)c1cc(F)c(F)cc1N ZINC000306732982 350903348 /nfs/dbraw/zinc/90/33/48/350903348.db2.gz SOGIBTGVRVPXCV-UHFFFAOYSA-N 0 0 200.232 2.393 10 0 BEAERN OC1CC(CCNc2csc(Cl)n2)C1 ZINC000306734360 350904864 /nfs/dbraw/zinc/90/48/64/350904864.db2.gz UUNFGLSCQBUVCA-UHFFFAOYSA-N 0 0 232.736 2.369 10 0 BEAERN FCCn1c2cccc(F)c2[nH]c1=S ZINC000306738345 350911932 /nfs/dbraw/zinc/91/19/32/350911932.db2.gz AMEDUPLENFJRQF-UHFFFAOYSA-N 0 0 214.240 2.434 10 0 BEAERN CCCNC(=O)C[C@@H]1CC(=O)c2ccccc21 ZINC000096644919 350913174 /nfs/dbraw/zinc/91/31/74/350913174.db2.gz OEJJRRIAGYUWMQ-JTQLQIEISA-N 0 0 231.295 2.273 10 0 BEAERN CC(F)(F)CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000607140472 350940467 /nfs/dbraw/zinc/94/04/67/350940467.db2.gz ZZJSJSXHVCVKCU-UWVGGRQHSA-N 0 0 249.301 2.089 10 0 BEAERN CNc1cccc(C2CCN(C(C)=O)CC2)c1 ZINC000616619739 350928489 /nfs/dbraw/zinc/92/84/89/350928489.db2.gz JELNBIANSWVBRN-UHFFFAOYSA-N 0 0 232.327 2.454 10 0 BEAERN NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616620218 350937518 /nfs/dbraw/zinc/93/75/18/350937518.db2.gz HUUMJTINBLQTIM-JTQLQIEISA-N 0 0 222.263 2.084 10 0 BEAERN NN[C@@H](c1sccc1F)C1CCC1 ZINC000306711079 350871250 /nfs/dbraw/zinc/87/12/50/350871250.db2.gz XFBUGJDHANJDJB-MRVPVSSYSA-N 0 0 200.282 2.192 10 0 BEAERN OC[C@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000306713514 350875074 /nfs/dbraw/zinc/87/50/74/350875074.db2.gz YIBITCGPSDQNBD-QMMMGPOBSA-N 0 0 222.071 2.006 10 0 BEAERN COc1ccncc1C(=O)[C@@H]1CCSC1 ZINC000306722635 350890312 /nfs/dbraw/zinc/89/03/12/350890312.db2.gz FYCRQDJNLRUSAM-MRVPVSSYSA-N 0 0 223.297 2.026 10 0 BEAERN O=C1OCC[C@H]1Nc1cccc(Cl)c1 ZINC000306724202 350892886 /nfs/dbraw/zinc/89/28/86/350892886.db2.gz IIQRVBQDMIVGSZ-SECBINFHSA-N 0 0 211.648 2.067 10 0 BEAERN COC(=O)[C@H](C)c1cc(F)cc(F)c1 ZINC000052232962 350963170 /nfs/dbraw/zinc/96/31/70/350963170.db2.gz YSGLYLNWCKZSLT-ZCFIWIBFSA-N 0 0 200.184 2.241 10 0 BEAERN NC(=S)c1ccc(NC2CCC2)cc1 ZINC000052211775 350967563 /nfs/dbraw/zinc/96/75/63/350967563.db2.gz RDXREMDXHHUZBS-UHFFFAOYSA-N 0 0 206.314 2.285 10 0 BEAERN O[C@H](Cc1cncs1)c1cccs1 ZINC000159662578 350968071 /nfs/dbraw/zinc/96/80/71/350968071.db2.gz YEXRXSUMVWLBNI-MRVPVSSYSA-N 0 0 211.311 2.481 10 0 BEAERN C[C@H]1CC[C@@]12C(N)=NC(=O)N2Cc1ccccc1 ZINC000306756315 350969745 /nfs/dbraw/zinc/96/97/45/350969745.db2.gz QAJSHYIVFOYNEL-HZMBPMFUSA-N 0 0 243.310 2.148 10 0 BEAERN CCc1c(Cl)nc2nc(OC)nn2c1Cl ZINC000129054360 350973381 /nfs/dbraw/zinc/97/33/81/350973381.db2.gz VDTBKRMYRHACGX-UHFFFAOYSA-N 0 0 247.085 2.002 10 0 BEAERN Cc1occc1C(=O)Nc1cccc(N)c1 ZINC000022149594 180539387 /nfs/dbraw/zinc/53/93/87/180539387.db2.gz DLNPQIDZBZSCCF-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN O=C(Cc1cncs1)[C@H]1CCCS1 ZINC000159696017 350975732 /nfs/dbraw/zinc/97/57/32/350975732.db2.gz DGJVLADTOJDZDD-SECBINFHSA-N 0 0 213.327 2.150 10 0 BEAERN CC(C)n1ncnc1C(=O)C1CCCC1 ZINC000306771593 351008884 /nfs/dbraw/zinc/00/88/84/351008884.db2.gz CQSLCQGBHLLNPL-UHFFFAOYSA-N 0 0 207.277 2.232 10 0 BEAERN OCC[C@H]1CCN(c2nc(Cl)cs2)C1 ZINC000159735724 350989836 /nfs/dbraw/zinc/98/98/36/350989836.db2.gz INDHNCKLLXCZHU-SSDOTTSWSA-N 0 0 232.736 2.005 10 0 BEAERN Cc1cocc1[C@@H](O)c1scnc1C ZINC000306772014 351009526 /nfs/dbraw/zinc/00/95/26/351009526.db2.gz CUVMHXVBSVYXPH-SECBINFHSA-N 0 0 209.270 2.435 10 0 BEAERN CNc1cccc([C@@H]2CCCN(C(C)=O)C2)c1 ZINC000616620883 350944878 /nfs/dbraw/zinc/94/48/78/350944878.db2.gz UOGMOWPHELSZPE-CYBMUJFWSA-N 0 0 232.327 2.454 10 0 BEAERN NC(=O)N1CCC[C@H](c2cccc(F)c2)C1 ZINC000616620895 350945280 /nfs/dbraw/zinc/94/52/80/350945280.db2.gz NIXBNUMLJRACJV-JTQLQIEISA-N 0 0 222.263 2.084 10 0 BEAERN Cc1csc(-c2nc(C=O)cs2)n1 ZINC000159616787 350953418 /nfs/dbraw/zinc/95/34/18/350953418.db2.gz KRTCWWPELBYNOX-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Nc1ccc(SCc2cncs2)cn1 ZINC000159625350 350955074 /nfs/dbraw/zinc/95/50/74/350955074.db2.gz FJUHCEQUKMZWEN-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN Cc1csc([C@@H]2NC[C@@H](C)CS2)n1 ZINC000159622154 350955285 /nfs/dbraw/zinc/95/52/85/350955285.db2.gz VMIMEBGSCXAOSD-HTRCEHHLSA-N 0 0 214.359 2.423 10 0 BEAERN Fc1cccc(OCC2CCOCC2)n1 ZINC000052153922 350956434 /nfs/dbraw/zinc/95/64/34/350956434.db2.gz FQCCBYLRUXMZAK-UHFFFAOYSA-N 0 0 211.236 2.026 10 0 BEAERN Clc1nc(C[C@@H]2CCCCO2)ns1 ZINC000129277509 351019950 /nfs/dbraw/zinc/01/99/50/351019950.db2.gz XSSWRAYJJHWYRQ-LURJTMIESA-N 0 0 218.709 2.303 10 0 BEAERN C[C@@H](Nc1cncc(N)c1)C(C)(F)F ZINC000306784453 351035541 /nfs/dbraw/zinc/03/55/41/351035541.db2.gz MDCMUEDWMLWVAW-ZCFIWIBFSA-N 0 0 201.220 2.119 10 0 BEAERN O=CNc1cc(Cl)c(Br)cn1 ZINC000306791558 351040470 /nfs/dbraw/zinc/04/04/70/351040470.db2.gz YCFJOSCBMXDIEW-UHFFFAOYSA-N 0 0 235.468 2.066 10 0 BEAERN C[C@@H](NC1N=NC(=S)S1)C(F)(F)F ZINC000306791750 351040793 /nfs/dbraw/zinc/04/07/93/351040793.db2.gz YUNMQPGFJOOTHL-UWTATZPHSA-N 0 0 229.252 2.190 10 0 BEAERN C[C@H](NC1N=NC(=S)S1)C(F)(F)F ZINC000306791749 351040962 /nfs/dbraw/zinc/04/09/62/351040962.db2.gz YUNMQPGFJOOTHL-REOHCLBHSA-N 0 0 229.252 2.190 10 0 BEAERN COc1ccc([C@H]2CCCN(C(C)=O)C2)cc1 ZINC000616621537 351043418 /nfs/dbraw/zinc/04/34/18/351043418.db2.gz RQJXAUWKKVTJLM-ZDUSSCGKSA-N 0 0 233.311 2.421 10 0 BEAERN CCc1cc(NC(=O)c2cc(C)oc2C)n[nH]1 ZINC000120621156 351055313 /nfs/dbraw/zinc/05/53/13/351055313.db2.gz HLZOWTRLQGUZHD-UHFFFAOYSA-N 0 0 233.271 2.434 10 0 BEAERN CCc1noc(-c2cc(Br)c[nH]2)n1 ZINC000306800703 351055522 /nfs/dbraw/zinc/05/55/22/351055522.db2.gz OZWDBVZEVRKJRY-UHFFFAOYSA-N 0 0 242.076 2.390 10 0 BEAERN COc1c(C)nc(C(C)(C)OC)nc1Cl ZINC000306805378 351056790 /nfs/dbraw/zinc/05/67/90/351056790.db2.gz HUSFWEJACCBKRG-UHFFFAOYSA-N 0 0 230.695 2.329 10 0 BEAERN C[C@]1([C@H]2CCC[C@H](CO)O2)CCCS1 ZINC000306805316 351056863 /nfs/dbraw/zinc/05/68/63/351056863.db2.gz ZYKHZVFCCIWAPN-GMTAPVOTSA-N 0 0 216.346 2.202 10 0 BEAERN CC[S@@](=O)Nc1cc(C)cc(C)c1O ZINC000306806183 351057928 /nfs/dbraw/zinc/05/79/28/351057928.db2.gz IYJDDFJOSGKICK-CQSZACIVSA-N 0 0 213.302 2.105 10 0 BEAERN CC[S@](=O)Nc1cc(C)cc(C)c1O ZINC000306806182 351058055 /nfs/dbraw/zinc/05/80/55/351058055.db2.gz IYJDDFJOSGKICK-AWEZNQCLSA-N 0 0 213.302 2.105 10 0 BEAERN C[C@@H]1CC[C@H](N[S@@](=O)C2CCCC2)C1 ZINC000306806294 351058485 /nfs/dbraw/zinc/05/84/85/351058485.db2.gz JGCFUDNAAFFLKC-BFVZDQMLSA-N 0 0 215.362 2.371 10 0 BEAERN COc1cnc([C@H]2CC[C@H](C)O2)nc1Cl ZINC000306807070 351059631 /nfs/dbraw/zinc/05/96/31/351059631.db2.gz LMPCGJKBHXPJBK-NKWVEPMBSA-N 0 0 228.679 2.379 10 0 BEAERN CC[S@@](=O)Nc1ccc(Cl)cc1O ZINC000306809425 351061414 /nfs/dbraw/zinc/06/14/14/351061414.db2.gz RYWOQIKKRHBKDY-CYBMUJFWSA-N 0 0 219.693 2.141 10 0 BEAERN Cc1sc(=O)n(CCc2ccccc2N)c1C ZINC000071351415 180556174 /nfs/dbraw/zinc/55/61/74/180556174.db2.gz KECKUWRJRJKAJE-UHFFFAOYSA-N 0 0 248.351 2.352 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1 ZINC000222741685 351014145 /nfs/dbraw/zinc/01/41/45/351014145.db2.gz PHJDOPRQVXKRQB-RKDXNWHRSA-N 0 0 215.293 2.079 10 0 BEAERN COC(=O)N1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616629659 351100806 /nfs/dbraw/zinc/10/08/06/351100806.db2.gz IRZDNJJJMUWPLU-LLVKDONJSA-N 0 0 249.314 2.114 10 0 BEAERN CC(=O)N1CCC[C@@H](c2ccccc2CO)CC1 ZINC000616629728 351100997 /nfs/dbraw/zinc/10/09/97/351100997.db2.gz ZTKSLQMPAFAJQP-CYBMUJFWSA-N 0 0 247.338 2.295 10 0 BEAERN CC(=O)N1CCCC[C@H](c2ccccc2N)C1 ZINC000616630010 351101904 /nfs/dbraw/zinc/10/19/04/351101904.db2.gz XVFNHJRPQOESAE-LBPRGKRZSA-N 0 0 232.327 2.385 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cncnc2)CC1 ZINC000616630166 351102475 /nfs/dbraw/zinc/10/24/75/351102475.db2.gz XOBDJNGPLVLPTE-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN COC(=O)N1CCCC[C@H](c2cocn2)C1 ZINC000616630565 351103424 /nfs/dbraw/zinc/10/34/24/351103424.db2.gz YWEMBWRWMVJKLN-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2cccnc2)C1 ZINC000616631184 351104246 /nfs/dbraw/zinc/10/42/46/351104246.db2.gz YCZYPYUXZPFVAS-CYBMUJFWSA-N 0 0 218.300 2.198 10 0 BEAERN NC(=O)N1CCCC[C@@H](c2ccccc2F)C1 ZINC000616631202 351104368 /nfs/dbraw/zinc/10/43/68/351104368.db2.gz YXPFPYIJRSFGPL-SNVBAGLBSA-N 0 0 236.290 2.474 10 0 BEAERN COC(=O)N1CCCC[C@H](c2ncco2)C1 ZINC000616627051 351107728 /nfs/dbraw/zinc/10/77/28/351107728.db2.gz AFVXKEUJXFZQTL-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616634068 351116082 /nfs/dbraw/zinc/11/60/82/351116082.db2.gz PJAFNHCIUWFIFN-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1nccc2ccccc21 ZINC000616634514 351117055 /nfs/dbraw/zinc/11/70/55/351117055.db2.gz RWIZBQSWQKUQBR-GFCCVEGCSA-N 0 0 241.294 2.450 10 0 BEAERN CC(=O)N1CCC[C@@H]1c1cnnc2ccccc21 ZINC000616634476 351117200 /nfs/dbraw/zinc/11/72/00/351117200.db2.gz RKWOHAZCLKKLCH-CQSZACIVSA-N 0 0 241.294 2.313 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cccc2ccncc21 ZINC000616634996 351117881 /nfs/dbraw/zinc/11/78/81/351117881.db2.gz ZBQLTVJEKBUXPP-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN CCc1cc(NC(=O)c2ccc(Cl)o2)n[nH]1 ZINC000120681558 351120282 /nfs/dbraw/zinc/12/02/82/351120282.db2.gz IWFNNMISAGZDNU-UHFFFAOYSA-N 0 0 239.662 2.471 10 0 BEAERN COc1ccccc1[C@@H]1CCOC(=O)C1 ZINC000107147342 351068587 /nfs/dbraw/zinc/06/85/87/351068587.db2.gz SIZYCRUKJBUDBS-SECBINFHSA-N 0 0 206.241 2.116 10 0 BEAERN O=c1cc[nH]n1-c1ccc(Br)cc1 ZINC000159943092 351124649 /nfs/dbraw/zinc/12/46/49/351124649.db2.gz AVUFCNCGQXEYFU-UHFFFAOYSA-N 0 0 239.072 2.340 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cccc(N)n1 ZINC000616621744 351083770 /nfs/dbraw/zinc/08/37/70/351083770.db2.gz ORJWSEYGPMUBFI-NSHDSACASA-N 0 0 249.314 2.347 10 0 BEAERN CCOC(=O)c1ccncc1CC(C)C ZINC000261307208 351084601 /nfs/dbraw/zinc/08/46/01/351084601.db2.gz VAYXKXOYDVFGBV-UHFFFAOYSA-N 0 0 207.273 2.457 10 0 BEAERN CCOC(=O)C(C)(C)c1cc(C)ccn1 ZINC000261334442 351084827 /nfs/dbraw/zinc/08/48/27/351084827.db2.gz YWHGVXSCPXKKFU-UHFFFAOYSA-N 0 0 207.273 2.231 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1ccc(N)cc1 ZINC000616622429 351085976 /nfs/dbraw/zinc/08/59/76/351085976.db2.gz DAOYHPKMZZZCOM-LBPRGKRZSA-N 0 0 233.315 2.265 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cnoc1 ZINC000616622579 351086794 /nfs/dbraw/zinc/08/67/94/351086794.db2.gz FXIJCUVDTDMPMD-JTQLQIEISA-N 0 0 224.260 2.358 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1c1cnno1 ZINC000616622492 351086924 /nfs/dbraw/zinc/08/69/24/351086924.db2.gz ZMVWXXQBAPPMKR-VIFPVBQESA-N 0 0 239.275 2.143 10 0 BEAERN NC(=O)N1CC[C@H](c2cncc3ccccc32)C1 ZINC000616622914 351087669 /nfs/dbraw/zinc/08/76/69/351087669.db2.gz AGIDULCZLJIREZ-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1cnoc1 ZINC000616623307 351088636 /nfs/dbraw/zinc/08/86/36/351088636.db2.gz KCLBCDTWKLNRSA-NSHDSACASA-N 0 0 208.261 2.138 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1c[nH]cn1 ZINC000616624193 351091309 /nfs/dbraw/zinc/09/13/09/351091309.db2.gz XUVUYOJKJGNALM-JTQLQIEISA-N 0 0 223.276 2.093 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1cnco1 ZINC000616624869 351092778 /nfs/dbraw/zinc/09/27/78/351092778.db2.gz ZOABNGBQXFMHCK-JTQLQIEISA-N 0 0 208.261 2.138 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1cccc(N)c1 ZINC000616624858 351092788 /nfs/dbraw/zinc/09/27/88/351092788.db2.gz SFKQFHMBNJOUOQ-GFCCVEGCSA-N 0 0 233.315 2.265 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccno2)CC1 ZINC000616627313 351094784 /nfs/dbraw/zinc/09/47/84/351094784.db2.gz HWQQNMDFAHBZES-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCC[C@@H](n2ccnc2)CC1 ZINC000616627362 351094900 /nfs/dbraw/zinc/09/49/00/351094900.db2.gz KGFKUZUZIYDNDX-LLVKDONJSA-N 0 0 237.303 2.067 10 0 BEAERN O=c1cc[nH]n1Cc1cccc(Cl)c1 ZINC000159947066 351125402 /nfs/dbraw/zinc/12/54/02/351125402.db2.gz ZNKYGTDEGPUYHY-UHFFFAOYSA-N 0 0 208.648 2.058 10 0 BEAERN CC(=O)N1CCC[C@H](c2ccccc2N)CC1 ZINC000616628685 351098337 /nfs/dbraw/zinc/09/83/37/351098337.db2.gz PEGAREKVEPVQQM-LBPRGKRZSA-N 0 0 232.327 2.385 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ncco2)C1 ZINC000616629332 351100202 /nfs/dbraw/zinc/10/02/02/351100202.db2.gz SCFCSNNLSZMARX-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN Fc1c(Cl)cccc1NCC1OCCO1 ZINC000306835812 351146927 /nfs/dbraw/zinc/14/69/27/351146927.db2.gz SXTNFNDPIQPRAD-UHFFFAOYSA-N 0 0 231.654 2.264 10 0 BEAERN CN1CCO[C@H](c2cccc3ccncc32)C1 ZINC000616643362 351156211 /nfs/dbraw/zinc/15/62/11/351156211.db2.gz JNLPPWMKPHZKDP-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CC(C)[N@@H+]1CCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616644348 351163558 /nfs/dbraw/zinc/16/35/58/351163558.db2.gz BJHLSESBZHTLND-CYBMUJFWSA-N 0 0 249.310 2.167 10 0 BEAERN CC(C)[N@@H+]1CCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616645303 351168001 /nfs/dbraw/zinc/16/80/01/351168001.db2.gz BJHLSESBZHTLND-ZDUSSCGKSA-N 0 0 249.310 2.167 10 0 BEAERN CCN1CCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616645604 351168744 /nfs/dbraw/zinc/16/87/44/351168744.db2.gz FPQKDCHWUAYVRX-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CC(C)(C)N1CCO[C@H](c2ccccn2)C1 ZINC000616646625 351171132 /nfs/dbraw/zinc/17/11/32/351171132.db2.gz KINODYJYMRLPJG-LBPRGKRZSA-N 0 0 220.316 2.253 10 0 BEAERN F[C@@H]1COCCCN1Cc1ccccc1 ZINC000616648644 351176792 /nfs/dbraw/zinc/17/67/92/351176792.db2.gz TWWVEUXQQDSYSB-LBPRGKRZSA-N 0 0 209.264 2.205 10 0 BEAERN c1nn(Cc2ccccc2)cc1NC1CSC1 ZINC000306858569 351181007 /nfs/dbraw/zinc/18/10/07/351181007.db2.gz CLVXBFSAOHEIEO-UHFFFAOYSA-N 0 0 245.351 2.459 10 0 BEAERN C[C@H](CO)Sc1cc(N)ccc1Cl ZINC000306858627 351181029 /nfs/dbraw/zinc/18/10/29/351181029.db2.gz ZPGWBJMKRVBYIH-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN C[N@@H+]1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616651267 351181751 /nfs/dbraw/zinc/18/17/51/351181751.db2.gz FAJXENLMWZDWHJ-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN CNc1ccccc1[C@H]1C[N@H+](C)CCCO1 ZINC000616651248 351181781 /nfs/dbraw/zinc/18/17/81/351181781.db2.gz DCCJVMAUZCKHKY-CYBMUJFWSA-N 0 0 220.316 2.122 10 0 BEAERN NC(=S)c1csc(Br)c1 ZINC000306824023 351133604 /nfs/dbraw/zinc/13/36/04/351133604.db2.gz VIXVFWQQSYMUAQ-UHFFFAOYSA-N 0 0 222.132 2.145 10 0 BEAERN Cc1cc(CO[C@@H]2CCOC2)cc(Cl)n1 ZINC000306826508 351135473 /nfs/dbraw/zinc/13/54/73/351135473.db2.gz ZMCUAUGPIRKALS-SNVBAGLBSA-N 0 0 227.691 2.349 10 0 BEAERN Nc1cccnc1NCCC(F)(F)F ZINC000063099291 351140600 /nfs/dbraw/zinc/14/06/00/351140600.db2.gz MVKYNGBLFHFXAJ-UHFFFAOYSA-N 0 0 205.183 2.028 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@@H]1c1cn[nH]c1 ZINC000616669293 351228733 /nfs/dbraw/zinc/22/87/33/351228733.db2.gz QLEHVTRTWMFNSS-CQSZACIVSA-N 0 0 241.294 2.450 10 0 BEAERN CC[C@@H]1CCc2ccccc2N1C(N)=O ZINC000616669642 351229404 /nfs/dbraw/zinc/22/94/04/351229404.db2.gz KXBIHKYXZKDSSE-SNVBAGLBSA-N 0 0 204.273 2.297 10 0 BEAERN c1ccc2c(c1)C[C@@H](c1cncnc1)CN2 ZINC000616669660 351229726 /nfs/dbraw/zinc/22/97/26/351229726.db2.gz JNRNCAPTRZMQRU-LLVKDONJSA-N 0 0 211.268 2.228 10 0 BEAERN CN1C[C@H](c2ccncn2)Cc2ccccc21 ZINC000616670811 351231219 /nfs/dbraw/zinc/23/12/19/351231219.db2.gz QEOQTWBRLIUVFA-GFCCVEGCSA-N 0 0 225.295 2.253 10 0 BEAERN CO[C@H](C)C(=O)c1ccc(C)c(F)c1F ZINC000231726046 351234510 /nfs/dbraw/zinc/23/45/10/351234510.db2.gz JHSPUWGJZACVTE-SSDOTTSWSA-N 0 0 214.211 2.491 10 0 BEAERN CCOC(=O)N1CC[C@@H](CO)c2ccccc21 ZINC000616671809 351236642 /nfs/dbraw/zinc/23/66/42/351236642.db2.gz HQEBHZAOLRXJGT-JTQLQIEISA-N 0 0 235.283 2.129 10 0 BEAERN CN1C[C@@H](c2cnco2)Cc2ccccc21 ZINC000616673924 351238024 /nfs/dbraw/zinc/23/80/24/351238024.db2.gz VFNWWCBUVUMBNN-NSHDSACASA-N 0 0 214.268 2.451 10 0 BEAERN CC(C)(C)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000616674221 351238752 /nfs/dbraw/zinc/23/87/52/351238752.db2.gz BZAFAHADMNTZSZ-NSHDSACASA-N 0 0 232.327 2.264 10 0 BEAERN CN1C[C@@H](c2cccc(N)n2)Cc2ccccc21 ZINC000616674233 351238942 /nfs/dbraw/zinc/23/89/42/351238942.db2.gz XNYIPJICXSNRKI-LBPRGKRZSA-N 0 0 239.322 2.440 10 0 BEAERN OCCN1CC[C@@H](c2ccon2)c2ccccc21 ZINC000616672655 351239335 /nfs/dbraw/zinc/23/93/35/351239335.db2.gz OQCMURZPAWBKMP-LLVKDONJSA-N 0 0 244.294 2.009 10 0 BEAERN CCOC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000616672961 351239357 /nfs/dbraw/zinc/23/93/57/351239357.db2.gz YKCCKADKZQFJPA-LBPRGKRZSA-N 0 0 248.326 2.136 10 0 BEAERN OCCN1CC[C@@H](c2ncco2)c2ccccc21 ZINC000616673280 351240033 /nfs/dbraw/zinc/24/00/33/351240033.db2.gz VTQIKVMLIOMYIL-GFCCVEGCSA-N 0 0 244.294 2.009 10 0 BEAERN CCN1C[C@@H](CCO)Cc2ccccc21 ZINC000616673117 351240067 /nfs/dbraw/zinc/24/00/67/351240067.db2.gz NFDFDNAUVRVERQ-NSHDSACASA-N 0 0 205.301 2.068 10 0 BEAERN OCCN1CC[C@H](c2cocn2)c2ccccc21 ZINC000616676558 351241056 /nfs/dbraw/zinc/24/10/56/351241056.db2.gz XCNVFDYKDCFRGZ-NSHDSACASA-N 0 0 244.294 2.009 10 0 BEAERN CCn1cnc(C(=O)[C@]2(C)CCCS2)c1 ZINC000306864640 351243617 /nfs/dbraw/zinc/24/36/17/351243617.db2.gz KTDZMDSPPXJKIR-NSHDSACASA-N 0 0 224.329 2.371 10 0 BEAERN Nc1ccc(NCc2ccsc2)nc1 ZINC000063152721 351263906 /nfs/dbraw/zinc/26/39/06/351263906.db2.gz JTJRHZQVKFSRIK-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN C[C@@H]1C[C@@H](Nc2nsnc2Cl)CS1 ZINC000306863129 351245355 /nfs/dbraw/zinc/24/53/55/351245355.db2.gz JKLHTNGRCBJNFX-RFZPGFLSSA-N 0 0 235.765 2.497 10 0 BEAERN C[C@H]1C[C@@H](Nc2nsnc2Cl)CS1 ZINC000306863128 351245406 /nfs/dbraw/zinc/24/54/06/351245406.db2.gz JKLHTNGRCBJNFX-CRCLSJGQSA-N 0 0 235.765 2.497 10 0 BEAERN CN1CCc2ccccc2[C@H]1c1cnco1 ZINC000616680463 351247138 /nfs/dbraw/zinc/24/71/38/351247138.db2.gz VEJVQNVGWYYUJV-ZDUSSCGKSA-N 0 0 214.268 2.252 10 0 BEAERN CN1C[C@@H](c2cn[nH]c2)Nc2ccccc21 ZINC000616680755 351247993 /nfs/dbraw/zinc/24/79/93/351247993.db2.gz GTUAWYDICZRNGW-NSHDSACASA-N 0 0 214.272 2.013 10 0 BEAERN CN1C[C@H](c2cocn2)Nc2ccccc21 ZINC000616681965 351252170 /nfs/dbraw/zinc/25/21/70/351252170.db2.gz BUPXNPKQTQVGBE-SNVBAGLBSA-N 0 0 215.256 2.278 10 0 BEAERN CN1C[C@H](c2ccncn2)Nc2ccccc21 ZINC000616681947 351252360 /nfs/dbraw/zinc/25/23/60/351252360.db2.gz AYDIOFKRJPWKCN-GFCCVEGCSA-N 0 0 226.283 2.080 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ccnc(N)c1 ZINC000616684540 351255176 /nfs/dbraw/zinc/25/51/76/351255176.db2.gz URNMNTISORWOGI-ZDUSSCGKSA-N 0 0 240.310 2.097 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1cccnn1 ZINC000616684663 351255871 /nfs/dbraw/zinc/25/58/71/351255871.db2.gz WTEGMCYKVHBPTG-AWEZNQCLSA-N 0 0 240.310 2.470 10 0 BEAERN COC(=O)N1C[C@@H](C(F)F)Nc2ccccc21 ZINC000616686464 351256592 /nfs/dbraw/zinc/25/65/92/351256592.db2.gz LUTCIKYTRMPTIO-QMMMGPOBSA-N 0 0 242.225 2.319 10 0 BEAERN CCOC(=O)N1C[C@@H](OC)Nc2ccccc21 ZINC000616686891 351257595 /nfs/dbraw/zinc/25/75/95/351257595.db2.gz UFKMNJPBGZYRSD-LLVKDONJSA-N 0 0 236.271 2.048 10 0 BEAERN COc1cccc([C@H]2CN(C(C)=O)CCCO2)c1 ZINC000616654475 351195644 /nfs/dbraw/zinc/19/56/44/351195644.db2.gz DRIQHJZWPAWHLB-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN COc1ccccc1[C@@H]1CCOCCN1C(C)=O ZINC000616656684 351196800 /nfs/dbraw/zinc/19/68/00/351196800.db2.gz MCQYDQJNQOYZJJ-ZDUSSCGKSA-N 0 0 249.310 2.005 10 0 BEAERN COc1cccc([C@H]2CCOCCN2C(C)=O)c1 ZINC000616659152 351206265 /nfs/dbraw/zinc/20/62/65/351206265.db2.gz ZNBFBDPCGDWQAJ-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CCC[C@H](C)NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000607225018 351215689 /nfs/dbraw/zinc/21/56/89/351215689.db2.gz KFCWOJWTNOTODJ-QJPTWQEYSA-N 0 0 242.363 2.025 10 0 BEAERN CN1c2ccccc2CC[C@@H]1c1cnno1 ZINC000616667572 351224858 /nfs/dbraw/zinc/22/48/58/351224858.db2.gz ANVKYINSWOCNMF-LLVKDONJSA-N 0 0 215.256 2.193 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1c1cnco1 ZINC000616669125 351228060 /nfs/dbraw/zinc/22/80/60/351228060.db2.gz PBSHSOJOQODIHY-LLVKDONJSA-N 0 0 243.266 2.247 10 0 BEAERN CCN1c2ccccc2CC[C@@H]1c1c[nH]nc1N ZINC000616669255 351228686 /nfs/dbraw/zinc/22/86/86/351228686.db2.gz PVSJOTWRIKFKCC-CYBMUJFWSA-N 0 0 242.326 2.336 10 0 BEAERN O[C@H](c1occc1Br)C1CC1 ZINC000068981437 351312558 /nfs/dbraw/zinc/31/25/58/351312558.db2.gz FOWLTMNHULXPLG-ZETCQYMHSA-N 0 0 217.062 2.486 10 0 BEAERN Nc1ccn2nc(-c3cccc(F)c3)nc2c1 ZINC000168059105 351276029 /nfs/dbraw/zinc/27/60/29/351276029.db2.gz YFANXPLAVKUNFH-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN Clc1cc(Cl)nc(CCN2CCCC2)n1 ZINC000306881206 351278878 /nfs/dbraw/zinc/27/88/78/351278878.db2.gz LSQBOPPJCBRVLO-UHFFFAOYSA-N 0 0 246.141 2.422 10 0 BEAERN COc1ccc([C@H](C)n2ncc(C)c2N)cc1 ZINC000034963985 351367550 /nfs/dbraw/zinc/36/75/50/351367550.db2.gz WYJXVUDBPYDALH-JTQLQIEISA-N 0 0 231.299 2.392 10 0 BEAERN Cc1ccc([C@H](C)n2ncc(C)c2N)o1 ZINC000034963973 351367694 /nfs/dbraw/zinc/36/76/94/351367694.db2.gz CDJJNJRBQJVRAX-VIFPVBQESA-N 0 0 205.261 2.284 10 0 BEAERN CC(C)(Br)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000306962842 351384426 /nfs/dbraw/zinc/38/44/26/351384426.db2.gz CDKBMASRVGTBNY-RNLVFQAGSA-N 0 0 246.148 2.075 10 0 BEAERN O=S1(=O)C=C[C@H](c2ccccc2Cl)C1 ZINC000040173750 351392614 /nfs/dbraw/zinc/39/26/14/351392614.db2.gz AISJVZVGAQSEEX-QMMMGPOBSA-N 0 0 228.700 2.366 10 0 BEAERN CC1(C)C[C@@H](n2cn[nH]c2=S)CCO1 ZINC000215431654 351346423 /nfs/dbraw/zinc/34/64/23/351346423.db2.gz RXOXCQCMTHZUNA-ZETCQYMHSA-N 0 0 213.306 2.071 10 0 BEAERN COc1cc2c(c(OC)c1)[C@H](C)CC2=O ZINC000069052031 351354189 /nfs/dbraw/zinc/35/41/89/351354189.db2.gz QPPIXNSMQKQBRQ-SSDOTTSWSA-N 0 0 206.241 2.394 10 0 BEAERN Clc1cncc(OCCc2ccccn2)n1 ZINC000034958480 351364471 /nfs/dbraw/zinc/36/44/71/351364471.db2.gz UMSRBFRTUBCVNU-UHFFFAOYSA-N 0 0 235.674 2.147 10 0 BEAERN Cc1nnc(N[C@@H](C)C(F)(F)F)s1 ZINC000307032277 351432440 /nfs/dbraw/zinc/43/24/40/351432440.db2.gz PXTCAZQSLGJLPL-VKHMYHEASA-N 0 0 211.212 2.209 10 0 BEAERN Cc1ccc(N[S@@](=O)C(C)C)c(O)c1 ZINC000307031813 351432645 /nfs/dbraw/zinc/43/26/45/351432645.db2.gz FQFDOVZMWNOFJT-AWEZNQCLSA-N 0 0 213.302 2.185 10 0 BEAERN Cc1csc(NCc2nnc(C)s2)n1 ZINC000307024681 351433354 /nfs/dbraw/zinc/43/33/54/351433354.db2.gz WLRYYPADDIOJNF-UHFFFAOYSA-N 0 0 226.330 2.224 10 0 BEAERN Nc1cc(NCCOCc2ccccc2)sn1 ZINC000307026992 351435245 /nfs/dbraw/zinc/43/52/45/351435245.db2.gz ZBOCHIQOAMCQPQ-UHFFFAOYSA-N 0 0 249.339 2.354 10 0 BEAERN Clc1ccccc1-n1nnc2cccnc21 ZINC000169320967 180593917 /nfs/dbraw/zinc/59/39/17/180593917.db2.gz HAGRQWNMFVSEOQ-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN C[C@H]1CCN[C@@H](c2ccns2)S1 ZINC000404432657 351448875 /nfs/dbraw/zinc/44/88/75/351448875.db2.gz CCAPSRDGCTYCPD-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN Cc1nc(NCc2ccno2)sc1C ZINC000231901144 351452987 /nfs/dbraw/zinc/45/29/87/351452987.db2.gz KLQAGHQRGIEIGK-UHFFFAOYSA-N 0 0 209.274 2.360 10 0 BEAERN C[C@@]1(c2nc(Cl)n[nH]2)CCCS1 ZINC000307056247 351456130 /nfs/dbraw/zinc/45/61/30/351456130.db2.gz BWWOVFQAJKRWBT-ZETCQYMHSA-N 0 0 203.698 2.200 10 0 BEAERN CCOC(=O)c1c(F)ccnc1Br ZINC000307053632 351457466 /nfs/dbraw/zinc/45/74/66/351457466.db2.gz QCGUCTLQYOZPRI-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN C[C@@H]1CN[C@H](c2ccns2)SC1 ZINC000404443424 351458991 /nfs/dbraw/zinc/45/89/91/351458991.db2.gz LXZRRYZTSKPJMK-SVRRBLITSA-N 0 0 200.332 2.114 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C)O1 ZINC000306992981 351409940 /nfs/dbraw/zinc/40/99/40/351409940.db2.gz XWAMMEVWYOXFRU-OPRDCNLKSA-N 0 0 229.320 2.467 10 0 BEAERN CO[C@@H]1CC[C@H](OCc2ccccc2)CO1 ZINC000214526835 351416354 /nfs/dbraw/zinc/41/63/54/351416354.db2.gz RPWJABFKEMWTRZ-STQMWFEESA-N 0 0 222.284 2.355 10 0 BEAERN N[C@@H](c1ccns1)c1ccoc1Cl ZINC000307003894 351417821 /nfs/dbraw/zinc/41/78/21/351417821.db2.gz DNRKZQSEKYRHSI-SSDOTTSWSA-N 0 0 214.677 2.438 10 0 BEAERN NC(=O)c1ccc(F)c(C(F)F)c1F ZINC000307017765 351423973 /nfs/dbraw/zinc/42/39/73/351423973.db2.gz WJCXBSUSUVGMLP-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN O=Cc1cc(O)cc(F)c1Br ZINC000307140403 351494448 /nfs/dbraw/zinc/49/44/48/351494448.db2.gz CSBFRQXZSAFVIA-UHFFFAOYSA-N 0 0 219.009 2.106 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccc(OC)cc2C[C@@H]1O ZINC000725268321 538100340 /nfs/dbraw/zinc/10/03/40/538100340.db2.gz MGHWNBRBOMISSS-QCZZGDTMSA-N 0 0 235.327 2.439 10 0 BEAERN C[C@]1([C@H](O)c2cscn2)CCCS1 ZINC000307144061 351501776 /nfs/dbraw/zinc/50/17/76/351501776.db2.gz FSSBUHVDWXGPLJ-RKDXNWHRSA-N 0 0 215.343 2.462 10 0 BEAERN CCc1nc([C@H]2NC[C@@H](C)S2)cs1 ZINC000307154795 351504492 /nfs/dbraw/zinc/50/44/92/351504492.db2.gz LGWJFJWNBMBCMX-MUWHJKNJSA-N 0 0 214.359 2.429 10 0 BEAERN Clc1cnc(N2CCCN2)c(Cl)c1 ZINC000306882843 180597397 /nfs/dbraw/zinc/59/73/97/180597397.db2.gz JILWLLVAHVBDHZ-UHFFFAOYSA-N 0 0 218.087 2.103 10 0 BEAERN CCc1nc([C@H]2NC[C@H](C)S2)cs1 ZINC000307154796 351505071 /nfs/dbraw/zinc/50/50/71/351505071.db2.gz LGWJFJWNBMBCMX-RCOVLWMOSA-N 0 0 214.359 2.429 10 0 BEAERN CC(=O)c1cc(O)cc(Br)c1F ZINC000307159540 351509414 /nfs/dbraw/zinc/50/94/14/351509414.db2.gz JJYSVYVMTPBIQH-UHFFFAOYSA-N 0 0 233.036 2.496 10 0 BEAERN CC(C)NC(=S)N1CC[C@@H]2CCC[C@H]21 ZINC000307111021 351484894 /nfs/dbraw/zinc/48/48/94/351484894.db2.gz HWTGJVGWPVWVRC-VHSXEESVSA-N 0 0 212.362 2.144 10 0 BEAERN Cc1nc(NCC2CC2)ncc1Br ZINC000307113866 351485778 /nfs/dbraw/zinc/48/57/78/351485778.db2.gz BFWQGNRGMHINSD-UHFFFAOYSA-N 0 0 242.120 2.369 10 0 BEAERN Clc1nsnc1NCCc1ccncc1 ZINC000048262947 180604843 /nfs/dbraw/zinc/60/48/43/180604843.db2.gz RIOZCJKUDVTEFX-UHFFFAOYSA-N 0 0 240.719 2.241 10 0 BEAERN COc1cccc2c1N[C@@H](C1CCC1)[C@H](O)C2 ZINC000725268489 538100548 /nfs/dbraw/zinc/10/05/48/538100548.db2.gz SKTFIFYJNZDDTE-YPMHNXCESA-N 0 0 233.311 2.193 10 0 BEAERN CC1(C)SC[C@H]1Nc1cc(N)ns1 ZINC000307167340 351537204 /nfs/dbraw/zinc/53/72/04/351537204.db2.gz RHAMZBBCZPSRFQ-RXMQYKEDSA-N 0 0 215.347 2.031 10 0 BEAERN Nc1cc(Cl)cnc1-c1cnsc1 ZINC000404671931 363065386 /nfs/dbraw/zinc/06/53/86/363065386.db2.gz YNWZKRFKTUUYNU-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cn1c2ccc(Cl)cc2nc1-c1c[nH]nc1N ZINC000037440207 180608583 /nfs/dbraw/zinc/60/85/83/180608583.db2.gz BUZWNOWZDNEHBP-UHFFFAOYSA-N 0 0 247.689 2.199 10 0 BEAERN CC(=O)c1nc(C2CSC2)sc1C ZINC000405141084 363074665 /nfs/dbraw/zinc/07/46/65/363074665.db2.gz MHNBFLWUQVKRLQ-UHFFFAOYSA-N 0 0 213.327 2.485 10 0 BEAERN C[C@@H](O)c1cnc(CC(F)(F)F)s1 ZINC000054160838 351570806 /nfs/dbraw/zinc/57/08/06/351570806.db2.gz MVZIISAOGKEQRC-SCSAIBSYSA-N 0 0 211.208 2.301 10 0 BEAERN Cc1cc(Nc2cccc(F)n2)nn1C ZINC000300864718 363074941 /nfs/dbraw/zinc/07/49/41/363074941.db2.gz JPILFJVXHGZUNU-UHFFFAOYSA-N 0 0 206.224 2.006 10 0 BEAERN CC(=O)c1ccnc([C@@H]2CSCCS2)n1 ZINC000307185509 351584963 /nfs/dbraw/zinc/58/49/63/351584963.db2.gz IRZHHTSVBXHNOR-VIFPVBQESA-N 0 0 240.353 2.200 10 0 BEAERN Cc1cnc(CSC(C)(C)C)nc1N ZINC000300866572 363075681 /nfs/dbraw/zinc/07/56/81/363075681.db2.gz DEMORSKBCZGUDP-UHFFFAOYSA-N 0 0 211.334 2.399 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2cc(OC)ccc2C[C@H]1O ZINC000725268595 538100569 /nfs/dbraw/zinc/10/05/69/538100569.db2.gz WNSOPUFCUBXQEF-FZZIBODNSA-N 0 0 235.327 2.439 10 0 BEAERN Cn1nc(C(C)(C)C(C)(C)C)[nH]c1=S ZINC000307203407 351606670 /nfs/dbraw/zinc/60/66/70/351606670.db2.gz FIBFCQFENRBHFH-UHFFFAOYSA-N 0 0 213.350 2.428 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2c(cccc2OC)C[C@@H]1O ZINC000725268606 538100586 /nfs/dbraw/zinc/10/05/86/538100586.db2.gz WRKBMDDFQRSRAX-GAFUQQFSSA-N 0 0 235.327 2.439 10 0 BEAERN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942703 363073879 /nfs/dbraw/zinc/07/38/79/363073879.db2.gz HPKUMXLCLDGFQY-IUCAKERBSA-N 0 0 238.287 2.136 10 0 BEAERN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942702 363073914 /nfs/dbraw/zinc/07/39/14/363073914.db2.gz HPKUMXLCLDGFQY-DTWKUNHWSA-N 0 0 238.287 2.136 10 0 BEAERN COC(=O)C[C@@H]1COc2c1ccc(C)c2C ZINC000606302526 351556476 /nfs/dbraw/zinc/55/64/76/351556476.db2.gz OINYEOGYMALIAY-SNVBAGLBSA-N 0 0 220.268 2.343 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2cc(OC)ccc2C[C@@H]1O ZINC000725268596 538100605 /nfs/dbraw/zinc/10/06/05/538100605.db2.gz WNSOPUFCUBXQEF-HERUPUMHSA-N 0 0 235.327 2.439 10 0 BEAERN Cn1c(=O)oc2c1cc(Br)cc2F ZINC000062534553 180612355 /nfs/dbraw/zinc/61/23/55/180612355.db2.gz UHSVJBALNSIQMF-UHFFFAOYSA-N 0 0 246.035 2.033 10 0 BEAERN COC(=O)[C@@]12CC[C@@H](C[C@@H]1F)C2(C)C ZINC000606304110 351561517 /nfs/dbraw/zinc/56/15/17/351561517.db2.gz OWGVINSRZVVBIO-DKCNOQQISA-N 0 0 200.253 2.324 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](O)[C@H](C(C)C)N2 ZINC000725268617 538100744 /nfs/dbraw/zinc/10/07/44/538100744.db2.gz WXDBPAITIHONNJ-KBPBESRZSA-N 0 0 235.327 2.439 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@H]1CC[C@H](C)O1 ZINC000161846704 323568714 /nfs/dbraw/zinc/56/87/14/323568714.db2.gz CRPLBCOJQGUDKH-DTWKUNHWSA-N 0 0 235.274 2.056 10 0 BEAERN Cn1c(N)c(-c2ccccc2)[nH]c1=S ZINC000020269014 180621270 /nfs/dbraw/zinc/62/12/70/180621270.db2.gz GYBAYEBLLPLUQO-UHFFFAOYSA-N 0 0 205.286 2.332 10 0 BEAERN Cc1nc([C@H](O)[C@@H]2CCSC2)cs1 ZINC000307232737 351687232 /nfs/dbraw/zinc/68/72/32/351687232.db2.gz DQUFUBYHEQHSOX-VXNVDRBHSA-N 0 0 215.343 2.238 10 0 BEAERN Cc1nc([C@@H](O)[C@@H]2CCSC2)cs1 ZINC000307232734 351687749 /nfs/dbraw/zinc/68/77/49/351687749.db2.gz DQUFUBYHEQHSOX-APPZFPTMSA-N 0 0 215.343 2.238 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](O)[C@@H](C1CC1)N2 ZINC000725268415 538100871 /nfs/dbraw/zinc/10/08/71/538100871.db2.gz QDCDZWVUHVMKEI-ZIAGYGMSSA-N 0 0 233.311 2.193 10 0 BEAERN Cn1cc(C=O)c2c1nccc2Br ZINC000095937222 180636361 /nfs/dbraw/zinc/63/63/61/180636361.db2.gz CALYOWUXGXUCGC-UHFFFAOYSA-N 0 0 239.072 2.148 10 0 BEAERN CC(F)(F)CNc1ccnc(Cl)n1 ZINC000307242872 351748209 /nfs/dbraw/zinc/74/82/09/351748209.db2.gz JSEGWQNDVVLGEJ-UHFFFAOYSA-N 0 0 207.611 2.197 10 0 BEAERN O=C(N[C@@H]1CC=CCC1)C(F)(F)Cl ZINC000307261247 351804199 /nfs/dbraw/zinc/80/41/99/351804199.db2.gz PBBKMKYTDQWDRK-ZCFIWIBFSA-N 0 0 209.623 2.043 10 0 BEAERN Cc1c[nH]c(C(=O)[C@H]2CO[C@H](C)C2)c1C ZINC000307253976 351780244 /nfs/dbraw/zinc/78/02/44/351780244.db2.gz WNKVGADXFNACNB-PSASIEDQSA-N 0 0 207.273 2.239 10 0 BEAERN CS[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000307254114 351788611 /nfs/dbraw/zinc/78/86/11/351788611.db2.gz WXPVMNSCIPLMIU-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN CNc1cccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000637928655 351805019 /nfs/dbraw/zinc/80/50/19/351805019.db2.gz CKFISRXHJSYEGT-GXFFZTMASA-N 0 0 248.326 2.026 10 0 BEAERN F[C@H]1CCC[C@H]1Nc1ccnc(Cl)n1 ZINC000307248610 351754095 /nfs/dbraw/zinc/75/40/95/351754095.db2.gz NLZRIYQRXHAEAP-NKWVEPMBSA-N 0 0 215.659 2.433 10 0 BEAERN CCC1(NC2N=NC(=S)S2)CC1 ZINC000307247509 351754359 /nfs/dbraw/zinc/75/43/59/351754359.db2.gz GXTKNBFNQCDNLC-UHFFFAOYSA-N 0 0 201.320 2.181 10 0 BEAERN CC[C@]1(C)C(=O)N[C@H]1[C@@]1(C)CCCS1 ZINC000307252076 351773196 /nfs/dbraw/zinc/77/31/96/351773196.db2.gz RKDQVXFNABYSBU-DVVUODLYSA-N 0 0 213.346 2.187 10 0 BEAERN Nc1cccc(Br)c1CN1CCC1 ZINC000307273403 351827548 /nfs/dbraw/zinc/82/75/48/351827548.db2.gz ISQVGUYEPWMBTD-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN Cc1ncc(Br)c(N[C@H]2C[C@H]2C)n1 ZINC000307274925 351829873 /nfs/dbraw/zinc/82/98/73/351829873.db2.gz OWWMYUBVWTZRTD-XRGYYRRGSA-N 0 0 242.120 2.368 10 0 BEAERN C[C@@H](N1CCS[C@H](C)C1)C(F)(F)F ZINC000307297543 351905320 /nfs/dbraw/zinc/90/53/20/351905320.db2.gz SFYPDORTSUYVCL-RNFRBKRXSA-N 0 0 213.268 2.375 10 0 BEAERN ClC1(Cl)C[C@H]1CNc1ncns1 ZINC000307297962 351911719 /nfs/dbraw/zinc/91/17/19/351911719.db2.gz VVJFEGOPDBTEGB-BYPYZUCNSA-N 0 0 224.116 2.144 10 0 BEAERN Cn1cc(NC2CCC(O)CC2)c(C2CC2)n1 ZINC000329643820 180660911 /nfs/dbraw/zinc/66/09/11/180660911.db2.gz YZXISPVRGOHOQX-UHFFFAOYSA-N 0 0 235.331 2.013 10 0 BEAERN CC(C)[S@](=O)Nc1cc(Cl)ccn1 ZINC000307332474 352048373 /nfs/dbraw/zinc/04/83/73/352048373.db2.gz PUQKGXMFTCFDEI-ZDUSSCGKSA-N 0 0 218.709 2.219 10 0 BEAERN Cc1cnn(C)c1C(=O)[C@H]1CCC[C@H]1C ZINC000307336438 352053553 /nfs/dbraw/zinc/05/35/53/352053553.db2.gz RZZIYLFFNBNFOG-SCZZXKLOSA-N 0 0 206.289 2.347 10 0 BEAERN CC(=O)NCC[C@H]1CCc2cc3c(cc21)OCC3 ZINC000013491266 187587601 /nfs/dbraw/zinc/58/76/01/187587601.db2.gz CMAHAUDQVSPPTI-LLVKDONJSA-N 0 0 245.322 2.178 10 0 BEAERN Cc1cc(C[C@H](O)[C@@H]2CCCO2)cs1 ZINC000307323963 352019080 /nfs/dbraw/zinc/01/90/80/352019080.db2.gz DGJYRVNSJVACOY-QWRGUYRKSA-N 0 0 212.314 2.139 10 0 BEAERN CNc1ncnc(Oc2ccc(C)cc2)c1N ZINC000040707072 187601442 /nfs/dbraw/zinc/60/14/42/187601442.db2.gz LYRRCGFZMBSHHH-UHFFFAOYSA-N 0 0 230.271 2.201 10 0 BEAERN COc1ccc([C@@H](O)c2ccncc2)c(OC)c1 ZINC000040248072 187601473 /nfs/dbraw/zinc/60/14/73/187601473.db2.gz JTIJFOFILUSQDJ-AWEZNQCLSA-N 0 0 245.278 2.181 10 0 BEAERN COc1ccc(CNc2nccs2)cc1N ZINC000037905969 187598434 /nfs/dbraw/zinc/59/84/34/187598434.db2.gz IFZMUPBUMROTFC-UHFFFAOYSA-N 0 0 235.312 2.346 10 0 BEAERN CC(C)CNC(=O)CCCc1cccc(N)c1 ZINC000049826937 187609360 /nfs/dbraw/zinc/60/93/60/187609360.db2.gz NOQNSZIIJZCSEY-UHFFFAOYSA-N 0 0 234.343 2.364 10 0 BEAERN COc1nc(C)c(C)c(Br)c1N ZINC000040435354 187609513 /nfs/dbraw/zinc/60/95/13/187609513.db2.gz KCGUVDPNAYWSPL-UHFFFAOYSA-N 0 0 231.093 2.052 10 0 BEAERN CC(=O)c1ccc(C)cc1O[C@H](C)[C@@H](C)O ZINC000087131055 187610760 /nfs/dbraw/zinc/61/07/60/187610760.db2.gz MCKGHJRADBCFMM-MWLCHTKSSA-N 0 0 222.284 2.346 10 0 BEAERN C[NH+](C)[C@H](C(=O)[O-])C1CCCCCCC1 ZINC000300917530 363119561 /nfs/dbraw/zinc/11/95/61/363119561.db2.gz ZANFSXMKDYCFBR-NSHDSACASA-N 0 0 213.321 2.362 10 0 BEAERN Cc1cccc(N2CN=NC2=S)c1F ZINC000300914601 363120117 /nfs/dbraw/zinc/12/01/17/363120117.db2.gz FVVFXXQBSZPJQF-UHFFFAOYSA-N 0 0 209.249 2.004 10 0 BEAERN CC1(C)COC(c2cccc3c2NCC3)=N1 ZINC000089210542 187625919 /nfs/dbraw/zinc/62/59/19/187625919.db2.gz OPOUBLQAPQAMBY-UHFFFAOYSA-N 0 0 216.284 2.210 10 0 BEAERN CC(=O)SCC(=O)Nc1ccccc1F ZINC000098210011 187629478 /nfs/dbraw/zinc/62/94/78/187629478.db2.gz HPMHOJRUKFXYGI-UHFFFAOYSA-N 0 0 227.260 2.044 10 0 BEAERN COc1cc(C)c(Br)nc1OC ZINC000098179596 187629640 /nfs/dbraw/zinc/62/96/40/187629640.db2.gz XQHPLQOOHHDFDO-UHFFFAOYSA-N 0 0 232.077 2.170 10 0 BEAERN CC(C)[C@H]1CC[C@@](C[NH3+])(CC(=O)[O-])CC1 ZINC000100805037 187641411 /nfs/dbraw/zinc/64/14/11/187641411.db2.gz CSJQXOUMYNIPCU-UMSPYCQHSA-N 0 0 213.321 2.252 10 0 BEAERN CC(C)(C)c1nc2ccccc2c(=O)o1 ZINC000000316084 187641656 /nfs/dbraw/zinc/64/16/56/187641656.db2.gz HFTCHIFWCLFWHD-UHFFFAOYSA-N 0 0 203.241 2.486 10 0 BEAERN CC(C)COCCNc1nc(C(C)C)no1 ZINC000301320381 187644101 /nfs/dbraw/zinc/64/41/01/187644101.db2.gz FZCNKEWCRBMZQR-UHFFFAOYSA-N 0 0 227.308 2.278 10 0 BEAERN CC(=O)CC(=O)N[C@H](C)c1ccccc1C ZINC000019408696 187656655 /nfs/dbraw/zinc/65/66/55/187656655.db2.gz CNUHOVNYAIUOOB-LLVKDONJSA-N 0 0 219.284 2.151 10 0 BEAERN CC(=O)OCc1cc2ccccc2n1C ZINC000211640668 187663827 /nfs/dbraw/zinc/66/38/27/187663827.db2.gz FJEFWIJLHXORGP-UHFFFAOYSA-N 0 0 203.241 2.241 10 0 BEAERN Cc1c(N)cncc1-c1cccc(O)c1F ZINC000725270972 538103005 /nfs/dbraw/zinc/10/30/05/538103005.db2.gz WLAHSRSVPXSLII-UHFFFAOYSA-N 0 0 218.231 2.484 10 0 BEAERN O=C1Nc2ccc(F)cc2[C@]1(O)c1ccccc1 ZINC000044713208 352384285 /nfs/dbraw/zinc/38/42/85/352384285.db2.gz FHLQPIOHZWDSQN-CQSZACIVSA-N 0 0 243.237 2.014 10 0 BEAERN Cc1ncsc1C(=O)c1cnsc1 ZINC000404784003 352430449 /nfs/dbraw/zinc/43/04/49/352430449.db2.gz IAUCGDJKWJXGFY-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@@H]1CC=CCC1 ZINC000638601941 352437388 /nfs/dbraw/zinc/43/73/88/352437388.db2.gz SPEUHCQGCLZHED-YNEHKIRRSA-N 0 0 238.375 2.222 10 0 BEAERN Cc1ccc(Cl)c(-n2ccc(N)n2)c1 ZINC000232219844 352460076 /nfs/dbraw/zinc/46/00/76/352460076.db2.gz FRJRLGXFXOFSDE-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CC(C)CNC(=O)N[C@@H]1CCc2c1cccc2N ZINC000725271499 538103520 /nfs/dbraw/zinc/10/35/20/538103520.db2.gz NVVAXXOIINNSFE-CYBMUJFWSA-N 0 0 247.342 2.211 10 0 BEAERN O=C(NCC1CC(F)(F)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000383142754 352482350 /nfs/dbraw/zinc/48/23/50/352482350.db2.gz MRVMUPVYINHKSZ-ILWJIGKKSA-N 0 0 229.270 2.194 10 0 BEAERN Cc1sccc1[C@H](O)c1cnc(N)s1 ZINC000307387423 352548033 /nfs/dbraw/zinc/54/80/33/352548033.db2.gz MPSDDRBKRPWISV-QMMMGPOBSA-N 0 0 226.326 2.177 10 0 BEAERN COC(=O)C1(C(F)F)C(C)(C)C1(C)C ZINC000725272071 538103957 /nfs/dbraw/zinc/10/39/57/538103957.db2.gz GPHILPPTCLCUPW-UHFFFAOYSA-N 0 0 206.232 2.477 10 0 BEAERN COc1ccc([C@@]2(O)CSC[C@@H]2C)s1 ZINC000307383268 352509135 /nfs/dbraw/zinc/50/91/35/352509135.db2.gz CKNPQTNTKOWVSV-OIBJUYFYSA-N 0 0 230.354 2.327 10 0 BEAERN COc1ccc([C@]2(O)CSC[C@H]2C)s1 ZINC000307383270 352509223 /nfs/dbraw/zinc/50/92/23/352509223.db2.gz CKNPQTNTKOWVSV-XCBNKYQSSA-N 0 0 230.354 2.327 10 0 BEAERN O=C1C[C@@H](C(F)F)N(Cc2ccccc2)C1 ZINC000725272514 538104061 /nfs/dbraw/zinc/10/40/61/538104061.db2.gz NWUBZLHEXOEPRA-NSHDSACASA-N 0 0 225.238 2.095 10 0 BEAERN CC[C@H](C)NC(=O)[C@@H]1CCCC1(F)F ZINC000307383512 352510416 /nfs/dbraw/zinc/51/04/16/352510416.db2.gz DNTDXAXQJAMGGG-YUMQZZPRSA-N 0 0 205.248 2.337 10 0 BEAERN CC[C@@H](C)NC(=O)[C@@H]1CCCC1(F)F ZINC000307383511 352510519 /nfs/dbraw/zinc/51/05/19/352510519.db2.gz DNTDXAXQJAMGGG-SFYZADRCSA-N 0 0 205.248 2.337 10 0 BEAERN CC[C@@H]1CCCC[C@H]1[C@H](O)C(C)(C)O ZINC000300038035 352553144 /nfs/dbraw/zinc/55/31/44/352553144.db2.gz IOETYWYCJVNEJD-MXWKQRLJSA-N 0 0 200.322 2.335 10 0 BEAERN O[C@@H](Cc1csnn1)c1sccc1F ZINC000307479311 352619064 /nfs/dbraw/zinc/61/90/64/352619064.db2.gz JIBAFICDXGATNQ-ZETCQYMHSA-N 0 0 230.289 2.015 10 0 BEAERN CC[C@@]1(C)CNC(=O)N(Cc2ccccc2)C1=O ZINC000232305565 352611177 /nfs/dbraw/zinc/61/11/77/352611177.db2.gz MLDWPCYHUNAOMF-AWEZNQCLSA-N 0 0 246.310 2.155 10 0 BEAERN Nc1c(O)cc(OC(F)(F)F)cc1F ZINC000307471723 352613080 /nfs/dbraw/zinc/61/30/80/352613080.db2.gz XZJUOWWKHKLGFB-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN Fc1[nH]c(=S)ccc1Br ZINC000307466006 352615225 /nfs/dbraw/zinc/61/52/25/352615225.db2.gz NFDBIGVQCVKRTC-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN Cc1cccc(-n2cc[nH]c2=O)c1Cl ZINC000300834455 352576060 /nfs/dbraw/zinc/57/60/60/352576060.db2.gz CZUQSYDHNZTNNV-UHFFFAOYSA-N 0 0 208.648 2.127 10 0 BEAERN COc1cnc(-c2cncs2)nc1Cl ZINC000307532979 352639161 /nfs/dbraw/zinc/63/91/61/352639161.db2.gz MMUPPYZTTMVPNB-UHFFFAOYSA-N 0 0 227.676 2.262 10 0 BEAERN CCc1nc([C@H]2N[C@@H](C)CS2)cs1 ZINC000307533487 352639381 /nfs/dbraw/zinc/63/93/81/352639381.db2.gz ORJXQTDFGNRWCE-RCOVLWMOSA-N 0 0 214.359 2.429 10 0 BEAERN Cc1nc(C(=O)c2ccns2)cs1 ZINC000307550076 352647336 /nfs/dbraw/zinc/64/73/36/352647336.db2.gz XLLPSQPDZGKAON-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044678664 352655284 /nfs/dbraw/zinc/65/52/84/352655284.db2.gz YNUUZLDGVFCTFC-NFAWXSAZSA-N 0 0 246.354 2.176 10 0 BEAERN O[C@@H](c1cc[nH]c1)[C@H]1CCCC1(F)F ZINC000307589139 352661347 /nfs/dbraw/zinc/66/13/47/352661347.db2.gz ZOLBDPADRLBWKL-BDAKNGLRSA-N 0 0 201.216 2.484 10 0 BEAERN Nc1ccc(CN2CCC2)c(Br)c1 ZINC000307586879 352661397 /nfs/dbraw/zinc/66/13/97/352661397.db2.gz RDMJIYPNGKEVCE-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN Cc1ccsc1[C@@]1(C)CC[C@H](CO)O1 ZINC000307481270 352620618 /nfs/dbraw/zinc/62/06/18/352620618.db2.gz PLSADXVCYXLAPO-MWLCHTKSSA-N 0 0 212.314 2.443 10 0 BEAERN CC(=O)c1cnc(N2CC(C)(C)C2)s1 ZINC000307500464 352627640 /nfs/dbraw/zinc/62/76/40/352627640.db2.gz SNPLHEQGJIQDJE-UHFFFAOYSA-N 0 0 210.302 2.192 10 0 BEAERN Fc1cc(Cl)ccc1NCC1OCCO1 ZINC000307516139 352633089 /nfs/dbraw/zinc/63/30/89/352633089.db2.gz SLXWEPIAVGATDF-UHFFFAOYSA-N 0 0 231.654 2.264 10 0 BEAERN COc1ccc(C(F)(F)F)c(N)c1F ZINC000307519157 352633844 /nfs/dbraw/zinc/63/38/44/352633844.db2.gz VWWKDVZUIPVSAD-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN NC(=O)NCc1cc2sccc2s1 ZINC000307519093 352633870 /nfs/dbraw/zinc/63/38/70/352633870.db2.gz ZTKJFBLSIWTFEE-UHFFFAOYSA-N 0 0 212.299 2.131 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2O)C1 ZINC000110915116 352712615 /nfs/dbraw/zinc/71/26/15/352712615.db2.gz NFMDPIFBYYEDDH-GXFFZTMASA-N 0 0 241.331 2.158 10 0 BEAERN CC[C@@]1(C)C(=O)N[C@@H]1C1(SC)CCC1 ZINC000307617370 352673352 /nfs/dbraw/zinc/67/33/52/352673352.db2.gz VVEYSTUCLBRAPE-WCBMZHEXSA-N 0 0 213.346 2.187 10 0 BEAERN CC[C@]1(C)C(=O)N[C@@H]1C1(SC)CCC1 ZINC000307617372 352673539 /nfs/dbraw/zinc/67/35/39/352673539.db2.gz VVEYSTUCLBRAPE-WPRPVWTQSA-N 0 0 213.346 2.187 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000307617248 352673587 /nfs/dbraw/zinc/67/35/87/352673587.db2.gz VJXNENZPBBDXIY-MRVPVSSYSA-N 0 0 201.697 2.434 10 0 BEAERN C/C=C/C=C/C(=O)Nc1nccc(Cl)n1 ZINC000232455155 352680891 /nfs/dbraw/zinc/68/08/91/352680891.db2.gz UZRAUAHCTHWXMB-MQQKCMAXSA-N 0 0 223.663 2.201 10 0 BEAERN Cc1cc(CNN)cc(C)c1Br ZINC000307638987 352725313 /nfs/dbraw/zinc/72/53/13/352725313.db2.gz DOOQFGZRVQSBNI-UHFFFAOYSA-N 0 0 229.121 2.029 10 0 BEAERN Cn1nc2c(c1Br)CCCC2 ZINC000075842681 180809186 /nfs/dbraw/zinc/80/91/86/180809186.db2.gz MOUBANAECGFEAG-UHFFFAOYSA-N 0 0 215.094 2.061 10 0 BEAERN O=C(c1ncccc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000334255671 352865618 /nfs/dbraw/zinc/86/56/18/352865618.db2.gz YTMYLECUZOGOLO-WPRPVWTQSA-N 0 0 236.702 2.360 10 0 BEAERN CC(C)(C)c1c[n+]([O-])c(-c2ccccc2)nn1 ZINC000169318578 187903798 /nfs/dbraw/zinc/90/37/98/187903798.db2.gz KPHMKOOERWWENQ-UHFFFAOYSA-N 0 0 229.283 2.075 10 0 BEAERN Clc1ccn(Cc2nnsc2Cl)n1 ZINC000307687353 352920159 /nfs/dbraw/zinc/92/01/59/352920159.db2.gz DLZJTFXWOXLIIK-UHFFFAOYSA-N 0 0 235.099 2.090 10 0 BEAERN O=Cc1cc(Br)ccc1N1CCC1 ZINC000307688484 352921020 /nfs/dbraw/zinc/92/10/20/352921020.db2.gz FMZYYSQQHXPHDH-UHFFFAOYSA-N 0 0 240.100 2.472 10 0 BEAERN Cc1c[nH]cc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000334341256 352977393 /nfs/dbraw/zinc/97/73/93/352977393.db2.gz ODVMJDJFEMKGKN-OLZOCXBDSA-N 0 0 248.326 2.107 10 0 BEAERN Cc1c[nH]cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000334341258 352977693 /nfs/dbraw/zinc/97/76/93/352977693.db2.gz ODVMJDJFEMKGKN-STQMWFEESA-N 0 0 248.326 2.107 10 0 BEAERN Cc1cc(N2CC[C@@H](C)C2)nc(Cl)n1 ZINC000052814470 352983157 /nfs/dbraw/zinc/98/31/57/352983157.db2.gz RYLLDISFNZPEMD-SSDOTTSWSA-N 0 0 211.696 2.285 10 0 BEAERN CC(C)(C)CCS(=O)(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000334302998 352939602 /nfs/dbraw/zinc/93/96/02/352939602.db2.gz AVRXRGSKEARGKW-QWRGUYRKSA-N 0 0 245.388 2.237 10 0 BEAERN C[C@H](Nc1cnnc(Cl)c1)C(F)F ZINC000306721724 353036484 /nfs/dbraw/zinc/03/64/84/353036484.db2.gz OXZBRGZVRCVBFW-BYPYZUCNSA-N 0 0 207.611 2.196 10 0 BEAERN COc1ccc(N)cc1CNC(=O)C1CCCC1 ZINC000038033292 187943458 /nfs/dbraw/zinc/94/34/58/187943458.db2.gz PBVXPMHUZAPWFO-UHFFFAOYSA-N 0 0 248.326 2.084 10 0 BEAERN CC(=O)c1cccc(F)c1N1CC=CC1 ZINC000306547167 353024005 /nfs/dbraw/zinc/02/40/05/353024005.db2.gz WZDOHPOVNPCNRF-UHFFFAOYSA-N 0 0 205.232 2.405 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1nnc(C)s1 ZINC000306233964 352998142 /nfs/dbraw/zinc/99/81/42/352998142.db2.gz LEYINQMKQYQGSH-RNFRBKRXSA-N 0 0 215.347 2.152 10 0 BEAERN Clc1cnc(NCc2ncc[nH]2)s1 ZINC000306289197 353001910 /nfs/dbraw/zinc/00/19/10/353001910.db2.gz NYPMPEFIERBTBG-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN C[C@H]1CCCN1Cc1cc(Br)no1 ZINC000306299078 353002922 /nfs/dbraw/zinc/00/29/22/353002922.db2.gz DTEIARPFSAKHRH-ZETCQYMHSA-N 0 0 245.120 2.421 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nc(C)cc(OC)n1 ZINC000231663193 538106949 /nfs/dbraw/zinc/10/69/49/538106949.db2.gz FOHOTMJXPYILDK-UWVGGRQHSA-N 0 0 221.304 2.394 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cc(N)ccc1F ZINC000035651496 187939285 /nfs/dbraw/zinc/93/92/85/187939285.db2.gz XXKHMIMIQNRBME-QMMMGPOBSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)(C)Oc1cc(Br)ncn1 ZINC000095775955 187974705 /nfs/dbraw/zinc/97/47/05/187974705.db2.gz JOBUMOYZHKBWIC-UHFFFAOYSA-N 0 0 231.093 2.416 10 0 BEAERN COC(=O)c1csc(C)c1[C@H]1CCOC1 ZINC000307254744 353063530 /nfs/dbraw/zinc/06/35/30/353063530.db2.gz YJKOYKVEZKNHIG-QMMMGPOBSA-N 0 0 226.297 2.347 10 0 BEAERN O=C1CCCCN1c1cc(F)cc(F)c1 ZINC000536950324 323953811 /nfs/dbraw/zinc/95/38/11/323953811.db2.gz JFKRCSSYDDDDOE-UHFFFAOYSA-N 0 0 211.211 2.482 10 0 BEAERN CC(=O)c1cnc2cccc(Br)n12 ZINC000089201819 187972498 /nfs/dbraw/zinc/97/24/98/187972498.db2.gz KDMQNXDATOHJEG-UHFFFAOYSA-N 0 0 239.072 2.299 10 0 BEAERN Clc1ccncc1NC1CSC1 ZINC000307289741 353066974 /nfs/dbraw/zinc/06/69/74/353066974.db2.gz HJMDBNNPNMVWSS-UHFFFAOYSA-N 0 0 200.694 2.262 10 0 BEAERN Cc1nn(Cc2ccccc2)c(N)c1Cl ZINC000043664930 187949353 /nfs/dbraw/zinc/94/93/53/187949353.db2.gz RSQKCQAYAPDBTF-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN O[C@@H]1CC[C@H](Nc2ncc(Cl)s2)C1 ZINC000306788215 353037630 /nfs/dbraw/zinc/03/76/30/353037630.db2.gz RMCPIUIDLBBIPA-NTSWFWBYSA-N 0 0 218.709 2.122 10 0 BEAERN COc1ccc(N)cc1C(=O)N[C@H]1CCC[C@H]1C ZINC000071205250 187960022 /nfs/dbraw/zinc/96/00/22/187960022.db2.gz BAXFFPJMCLAZOX-SKDRFNHKSA-N 0 0 248.326 2.196 10 0 BEAERN COc1ccc2[nH]c(C(=O)N[C@H]3C[C@H]3C)cc2c1 ZINC000189235286 188002148 /nfs/dbraw/zinc/00/21/48/188002148.db2.gz LOMKDBCEEMBLAE-PELKAZGASA-N 0 0 244.294 2.315 10 0 BEAERN Cc1cc(Cl)nc(NC(=O)C(C)C)n1 ZINC000232529236 353107060 /nfs/dbraw/zinc/10/70/60/353107060.db2.gz FAOBFVJANXADGL-UHFFFAOYSA-N 0 0 213.668 2.033 10 0 BEAERN CC[C@@]1(Nc2ccnc(Cl)n2)CCOC1 ZINC000307715910 353108403 /nfs/dbraw/zinc/10/84/03/353108403.db2.gz GQJLMBUEJUCABR-SNVBAGLBSA-N 0 0 227.695 2.111 10 0 BEAERN CC[C@@]1(O)COc2cc(C)c(C)cc2O1 ZINC000536952258 323958258 /nfs/dbraw/zinc/95/82/58/323958258.db2.gz BKYRPNSGYKSQGU-LBPRGKRZSA-N 0 0 208.257 2.173 10 0 BEAERN N[C@H](c1cnns1)c1ccccc1Cl ZINC000160031747 353110523 /nfs/dbraw/zinc/11/05/23/353110523.db2.gz ADTLQJKRZVKYCR-VIFPVBQESA-N 0 0 225.704 2.240 10 0 BEAERN CNC(=O)c1ccc(N)c(NCCC(C)C)c1 ZINC000103965226 187977973 /nfs/dbraw/zinc/97/79/73/187977973.db2.gz AIRUQXJOQMPXQN-UHFFFAOYSA-N 0 0 235.331 2.086 10 0 BEAERN Cc1cnn(C)c1C(=O)c1ccoc1Cl ZINC000307726972 353113799 /nfs/dbraw/zinc/11/37/99/353113799.db2.gz CSVFODAPLVVNPX-UHFFFAOYSA-N 0 0 224.647 2.206 10 0 BEAERN O=C(c1cscn1)[C@H]1CSCCS1 ZINC000307460933 353078282 /nfs/dbraw/zinc/07/82/82/353078282.db2.gz BBTSEDJIEYNGOE-SSDOTTSWSA-N 0 0 231.367 2.174 10 0 BEAERN CC(=O)Cc1ccc(Br)o1 ZINC000083284347 188008559 /nfs/dbraw/zinc/00/85/59/188008559.db2.gz NTGRXRHTCGAAQE-UHFFFAOYSA-N 0 0 203.035 2.174 10 0 BEAERN C[C@H]1CC=CC[C@H]1C(=O)N1CC=CCC1 ZINC000033864746 188012672 /nfs/dbraw/zinc/01/26/72/188012672.db2.gz XOSMTRXKSZLBST-NWDGAFQWSA-N 0 0 205.301 2.377 10 0 BEAERN Cc1cc([C@]2(O)CS[C@H](C)C2)sn1 ZINC000307746009 353125411 /nfs/dbraw/zinc/12/54/11/353125411.db2.gz UDKRBHHSWSHLHW-VXNVDRBHSA-N 0 0 215.343 2.165 10 0 BEAERN CC(=O)c1ccc(-n2ccc(C)n2)cc1 ZINC000052884385 353127258 /nfs/dbraw/zinc/12/72/58/353127258.db2.gz WQYSUPLAVDYBMT-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CC(C)(C)Oc1cc(N)cc(Cl)n1 ZINC000232555906 353128549 /nfs/dbraw/zinc/12/85/49/353128549.db2.gz MXSLVYHQLRPOJH-UHFFFAOYSA-N 0 0 200.669 2.495 10 0 BEAERN CC(C)[C@@H]1[C@@H]2C[C@]3(C)[C@@H]([C@H]12)[C@](C)(O)CC[C@H]3O ZINC000263583977 188020421 /nfs/dbraw/zinc/02/04/21/188020421.db2.gz HAGUIOILOILJEM-ASDPXGBXSA-N 0 0 238.371 2.437 10 0 BEAERN CC(C)(O)[C@H](O)c1cccc(Cl)c1 ZINC000232575093 353136675 /nfs/dbraw/zinc/13/66/75/353136675.db2.gz SHTXAGIOWXJPLG-SECBINFHSA-N 0 0 200.665 2.144 10 0 BEAERN COCc1cccc2c(Cl)ncnc12 ZINC000160103299 353137715 /nfs/dbraw/zinc/13/77/15/353137715.db2.gz UGXNLVXTCVNMCD-UHFFFAOYSA-N 0 0 208.648 2.430 10 0 BEAERN CC(C)[C@H](N)c1nc(Cc2cccc(F)c2)no1 ZINC000040677318 188042612 /nfs/dbraw/zinc/04/26/12/188042612.db2.gz MTXPKXHNMFGJIV-LBPRGKRZSA-N 0 0 249.289 2.455 10 0 BEAERN C/C=C/CCNc1ccc2nccnc2n1 ZINC000123774675 188046495 /nfs/dbraw/zinc/04/64/95/188046495.db2.gz MAYAQJXSJFYRAL-NSCUHMNNSA-N 0 0 214.272 2.403 10 0 BEAERN O=c1[nH]ncc(NCC2(C3CC3)CC2)c1Cl ZINC000131310212 188049060 /nfs/dbraw/zinc/04/90/60/188049060.db2.gz ISPXPMXHXQGFPA-UHFFFAOYSA-N 0 0 239.706 2.025 10 0 BEAERN CC(C)N(C)C(=O)c1cc(Cl)nnc1Cl ZINC000232620681 353146271 /nfs/dbraw/zinc/14/62/71/353146271.db2.gz PQIZUJZSIIVTLT-UHFFFAOYSA-N 0 0 248.113 2.264 10 0 BEAERN Cc1nc(N)sc1S[C@H]1CCSC1 ZINC000405246334 353151458 /nfs/dbraw/zinc/15/14/58/353151458.db2.gz CUYPNQOWUBGJMP-LURJTMIESA-N 0 0 232.399 2.462 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@H](C)C1 ZINC000079122426 538109714 /nfs/dbraw/zinc/10/97/14/538109714.db2.gz YGYVCGOCGZFVIZ-WDEREUQCSA-N 0 0 212.337 2.472 10 0 BEAERN CSCC(=O)NCCc1ccc(Cl)s1 ZINC000049009233 353164571 /nfs/dbraw/zinc/16/45/71/353164571.db2.gz PELRSTVQCSKGIK-UHFFFAOYSA-N 0 0 249.788 2.423 10 0 BEAERN CC(C)Sc1ncnc(N)c1Br ZINC000232681794 353166598 /nfs/dbraw/zinc/16/65/98/353166598.db2.gz ZCKAMXXIMNGKES-UHFFFAOYSA-N 0 0 248.149 2.322 10 0 BEAERN O[C@@H](Cc1ccc(Cl)cc1)c1cn[nH]c1 ZINC000309037450 538110227 /nfs/dbraw/zinc/11/02/27/538110227.db2.gz HBOPJTCYYPDDMU-NSHDSACASA-N 0 0 222.675 2.339 10 0 BEAERN COC(CC(=O)c1ccccc1C)OC ZINC000121989115 538110278 /nfs/dbraw/zinc/11/02/78/538110278.db2.gz SJORLBHVAVIWMO-UHFFFAOYSA-N 0 0 208.257 2.187 10 0 BEAERN CCC[C@@H]1CCC(=O)[C@H](C(OC)OC)C1 ZINC000121999103 538110295 /nfs/dbraw/zinc/11/02/95/538110295.db2.gz TVCIQASSZCMFMO-NXEZZACHSA-N 0 0 214.305 2.391 10 0 BEAERN COC(CC(=O)c1cc(C)oc1C)OC ZINC000121990234 538110303 /nfs/dbraw/zinc/11/03/03/538110303.db2.gz HHTDKESLDYYBNU-UHFFFAOYSA-N 0 0 212.245 2.088 10 0 BEAERN COC(OC)[C@@H]1CC(C)(C)CCC1=O ZINC000122007949 538110361 /nfs/dbraw/zinc/11/03/61/538110361.db2.gz AHBOSYCYANVFDZ-MRVPVSSYSA-N 0 0 200.278 2.001 10 0 BEAERN COC(OC)[C@H]1CC(C)(C)CCC1=O ZINC000122008151 538110383 /nfs/dbraw/zinc/11/03/83/538110383.db2.gz AHBOSYCYANVFDZ-QMMMGPOBSA-N 0 0 200.278 2.001 10 0 BEAERN FC(F)(F)C1=NCCN1c1ccccc1 ZINC000095930238 180879602 /nfs/dbraw/zinc/87/96/02/180879602.db2.gz FGWDVVNIFCZCDM-UHFFFAOYSA-N 0 0 214.190 2.467 10 0 BEAERN CC1(Cn2ccc(=O)c(N)c2)CCCC1 ZINC000308973616 538109737 /nfs/dbraw/zinc/10/97/37/538109737.db2.gz BFFYEMAEALESJQ-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN FC(F)(F)[C@@H](NCc1ccccc1)[C@H]1CO1 ZINC000021988059 180889549 /nfs/dbraw/zinc/88/95/49/180889549.db2.gz MQDUDZLVXQXSAI-ZJUUUORDSA-N 0 0 231.217 2.106 10 0 BEAERN CC(=O)c1cc(N)cc(Br)c1 ZINC000126423107 353250217 /nfs/dbraw/zinc/25/02/17/353250217.db2.gz FFSQFWBHIDJJQI-UHFFFAOYSA-N 0 0 214.062 2.234 10 0 BEAERN CN[C@@H](c1cscn1)C1=COCCC1 ZINC000160139233 353254542 /nfs/dbraw/zinc/25/45/42/353254542.db2.gz KFWXFTLSNKNYPK-SNVBAGLBSA-N 0 0 210.302 2.098 10 0 BEAERN CC[C@H]1CS[C@@H](c2cscn2)N1 ZINC000126798600 353255152 /nfs/dbraw/zinc/25/51/52/353255152.db2.gz DUWRVNWUVSRZNS-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN CC(C)[C@@H](O)C(=O)c1ccc(F)c(F)c1 ZINC000232720157 353268903 /nfs/dbraw/zinc/26/89/03/353268903.db2.gz TZFUMZXOCJZSHY-SNVBAGLBSA-N 0 0 214.211 2.164 10 0 BEAERN CC(C)N(C)C(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117591622 188247046 /nfs/dbraw/zinc/24/70/46/188247046.db2.gz SUWQQSAUGUTCNN-MFKMUULPSA-N 0 0 233.311 2.418 10 0 BEAERN S=C1N=NC(CCCc2ccccc2)N1 ZINC000020158963 188248371 /nfs/dbraw/zinc/24/83/71/188248371.db2.gz IWXMSSNRCONIKS-UHFFFAOYSA-N 0 0 219.313 2.269 10 0 BEAERN C[C@H](O)C(C)(C)Nc1ccc(Cl)cn1 ZINC000128430089 353291109 /nfs/dbraw/zinc/29/11/09/353291109.db2.gz GIJCVHRVHCFKLX-ZETCQYMHSA-N 0 0 214.696 2.306 10 0 BEAERN CC(C)Cn1c2ccccc2nc1NC[C@H](C)O ZINC000026474281 188254691 /nfs/dbraw/zinc/25/46/91/188254691.db2.gz GAILBOFLQAWDJY-NSHDSACASA-N 0 0 247.342 2.485 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CCCC1(C)C ZINC000324473654 188254840 /nfs/dbraw/zinc/25/48/40/188254840.db2.gz HOBNGBOBZHPSAM-QWRGUYRKSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1ccccc1OCCn1ccnc1C=O ZINC000026474016 188255115 /nfs/dbraw/zinc/25/51/15/188255115.db2.gz PAOIKYYJQATIIC-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN Cc1ccc(NC(=S)NC(=O)C2CC2)cc1 ZINC000000503059 188273680 /nfs/dbraw/zinc/27/36/80/188273680.db2.gz DZBGFAGUIRJAMQ-UHFFFAOYSA-N 0 0 234.324 2.218 10 0 BEAERN CCNc1ccccc1-c1nnc(C)o1 ZINC000036932378 188279117 /nfs/dbraw/zinc/27/91/17/188279117.db2.gz BPDUUPMKMLPNBZ-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCn1nc(C)cc1C(=O)Nc1ccccc1 ZINC000013699939 188280186 /nfs/dbraw/zinc/28/01/86/188280186.db2.gz IYSCEQILSYUUAY-UHFFFAOYSA-N 0 0 229.283 2.464 10 0 BEAERN Nc1cc(F)cc(Sc2ncccn2)c1 ZINC000037668166 188282187 /nfs/dbraw/zinc/28/21/87/188282187.db2.gz GHJKJUJKQKWAGM-UHFFFAOYSA-N 0 0 221.260 2.349 10 0 BEAERN Cc1ccc(C(=O)c2csc(N)n2)cc1 ZINC000038587314 188283513 /nfs/dbraw/zinc/28/35/13/188283513.db2.gz UWICVFCZTLBTDE-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN CC(=O)Cn1c(=O)cc(C)c2cccc(C)c21 ZINC000032530416 188284054 /nfs/dbraw/zinc/28/40/54/188284054.db2.gz UYQXRTGAOIJEKQ-UHFFFAOYSA-N 0 0 229.279 2.207 10 0 BEAERN Cc1c(Br)ccc(O)c1C=O ZINC000034721837 188284850 /nfs/dbraw/zinc/28/48/50/188284850.db2.gz GYSFTNVHSLJTCO-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN CC(C)COCc1cc(N)cc2c1OCOC2 ZINC000034964166 188285305 /nfs/dbraw/zinc/28/53/05/188285305.db2.gz UDPPHFXRYDVBBA-UHFFFAOYSA-N 0 0 237.299 2.308 10 0 BEAERN CCCCOCc1cc(N)cc2c1OCOC2 ZINC000037093159 188286193 /nfs/dbraw/zinc/28/61/93/188286193.db2.gz GQNHQGCNAQMQPZ-UHFFFAOYSA-N 0 0 237.299 2.452 10 0 BEAERN CC(C)[N@H+](CCCC(=O)[O-])C[C@H]1CCCCO1 ZINC000037596449 188286864 /nfs/dbraw/zinc/28/68/64/188286864.db2.gz HGRZNJLXTIBYOY-GFCCVEGCSA-N 0 0 243.347 2.131 10 0 BEAERN CC(=O)CC(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000037790681 188288143 /nfs/dbraw/zinc/28/81/43/188288143.db2.gz XPQAKAOVUABHAC-LBPRGKRZSA-N 0 0 233.311 2.460 10 0 BEAERN CCCOc1nc(N2CCC[C@H]2C)ccc1N ZINC000037910026 188289033 /nfs/dbraw/zinc/28/90/33/188289033.db2.gz SALDZAUVVQNJFP-SNVBAGLBSA-N 0 0 235.331 2.441 10 0 BEAERN O=C([O-])[C@]1([NH2+]C2CCCC2)CCc2ccccc21 ZINC000037968793 188289299 /nfs/dbraw/zinc/28/92/99/188289299.db2.gz DTUMPFJUYYFCCL-HNNXBMFYSA-N 0 0 245.322 2.445 10 0 BEAERN CC1(C)C=CC=C(c2ccccc2)C1(O)O ZINC000039119186 188290942 /nfs/dbraw/zinc/29/09/42/188290942.db2.gz YKCYZSJMBZVXGN-UHFFFAOYSA-N 0 0 216.280 2.347 10 0 BEAERN CC1(C)Nc2ccc(Cl)cc2NC1=O ZINC000038350945 188291055 /nfs/dbraw/zinc/29/10/55/188291055.db2.gz JZBNICJDZHMAFK-UHFFFAOYSA-N 0 0 210.664 2.483 10 0 BEAERN CCOC(=O)CSCCc1nc(C)cs1 ZINC000040176415 188292190 /nfs/dbraw/zinc/29/21/90/188292190.db2.gz BQGVCFCIFKPQBG-UHFFFAOYSA-N 0 0 245.369 2.290 10 0 BEAERN CC(C)[C@@H]1Nc2cc(F)ccc2NC1=O ZINC000082377166 188293357 /nfs/dbraw/zinc/29/33/57/188293357.db2.gz BGOMRCQNDVVBLF-JTQLQIEISA-N 0 0 208.236 2.214 10 0 BEAERN Cc1cc(N[C@@H]2CCCC[C@H]2O)ccc1N ZINC000051999056 188299585 /nfs/dbraw/zinc/29/95/85/188299585.db2.gz IJKKSQDGKCIPNQ-CHWSQXEVSA-N 0 0 220.316 2.293 10 0 BEAERN Brc1nncn1-c1ccccc1 ZINC000075842609 188308345 /nfs/dbraw/zinc/30/83/45/188308345.db2.gz MNHCQYUWVFEQCE-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN CC(C)(C)N1C[C@@H](CO)O[C@@H]1c1ccccc1 ZINC000057599266 188301534 /nfs/dbraw/zinc/30/15/34/188301534.db2.gz JERBWURCWWHQBK-QWHCGFSZSA-N 0 0 235.327 2.177 10 0 BEAERN Cc1ccccc1CC(=O)N(C)C[C@@H]1CCCO1 ZINC000058964178 188302304 /nfs/dbraw/zinc/30/23/04/188302304.db2.gz VDRVXHPZYPQJLQ-AWEZNQCLSA-N 0 0 247.338 2.175 10 0 BEAERN C/C=C\c1cc(OC)c2c(c1OC)OCO2 ZINC000090628972 188304460 /nfs/dbraw/zinc/30/44/60/188304460.db2.gz XKCIPTFOQRVXGG-PLNGDYQASA-N 0 0 222.240 2.466 10 0 BEAERN CC(C)(C)c1ccc([C@@H](O)CCO)cc1 ZINC000071511218 188306036 /nfs/dbraw/zinc/30/60/36/188306036.db2.gz RQWAIGYNWMBBKY-LBPRGKRZSA-N 0 0 208.301 2.400 10 0 BEAERN CC(C)=CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000264271434 188260317 /nfs/dbraw/zinc/26/03/17/188260317.db2.gz GKDOSOLXFSESKM-LBPRGKRZSA-N 0 0 233.315 2.050 10 0 BEAERN CN(C)c1ccc(Br)c(O)c1 ZINC000095711921 188320810 /nfs/dbraw/zinc/32/08/10/188320810.db2.gz LAJNJSLLHRQZOY-UHFFFAOYSA-N 0 0 216.078 2.221 10 0 BEAERN C/C=C\C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000095936629 188321605 /nfs/dbraw/zinc/32/16/05/188321605.db2.gz ADJLYUKGFXQIBH-UMBAGQNISA-N 0 0 247.294 2.211 10 0 BEAERN CCc1ccc([C@@H](O)CO[C@H]2CCOC2)cc1 ZINC000104106646 188323349 /nfs/dbraw/zinc/32/33/49/188323349.db2.gz PVTBWMAMUYCDST-KBPBESRZSA-N 0 0 236.311 2.088 10 0 BEAERN CC(=O)c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000104054199 188323420 /nfs/dbraw/zinc/32/34/20/188323420.db2.gz JDQCXRFTFGYBFD-UHFFFAOYSA-N 0 0 238.193 2.141 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1ccc(F)cc1 ZINC000103383085 188323640 /nfs/dbraw/zinc/32/36/40/188323640.db2.gz XUODETULQICJLA-VIFPVBQESA-N 0 0 225.263 2.071 10 0 BEAERN CC(=O)CCc1nc(CCc2ccccc2)no1 ZINC000104072551 188323998 /nfs/dbraw/zinc/32/39/98/188323998.db2.gz AHAZPJYCEZGLND-UHFFFAOYSA-N 0 0 244.294 2.376 10 0 BEAERN CC1(C)Sc2ccc(N)cc2NC1=O ZINC000076973864 188310702 /nfs/dbraw/zinc/31/07/02/188310702.db2.gz VARDJSLEKBPNNG-UHFFFAOYSA-N 0 0 208.286 2.092 10 0 BEAERN CC(C)COc1cc(N)nc(C(C)C)n1 ZINC000082483241 188312864 /nfs/dbraw/zinc/31/28/64/188312864.db2.gz BLZAHVNZJHGAJH-UHFFFAOYSA-N 0 0 209.293 2.217 10 0 BEAERN CC(=O)N1CCc2cc(NC3CC3)ccc21 ZINC000082710819 188314889 /nfs/dbraw/zinc/31/48/89/188314889.db2.gz CMPNTKACXNMFLY-UHFFFAOYSA-N 0 0 216.284 2.170 10 0 BEAERN CC(C)[C@H](N)c1nc(-c2cccc(O)c2)no1 ZINC000083101104 188315488 /nfs/dbraw/zinc/31/54/88/188315488.db2.gz XXVHXKCPNJGSNE-JTQLQIEISA-N 0 0 233.271 2.098 10 0 BEAERN Cc1cnn2c1N[C@H](C)C[C@@H]2C(F)F ZINC000720942957 538115480 /nfs/dbraw/zinc/11/54/80/538115480.db2.gz ZRJFNYWLGMRZPZ-RNFRBKRXSA-N 0 0 201.220 2.202 10 0 BEAERN CC1(C)[NH2+]CCn2cc(-c3ccccc3)nc21 ZINC000084500719 188317190 /nfs/dbraw/zinc/31/71/90/188317190.db2.gz USJXIIKIADUGSJ-UHFFFAOYSA-N 0 0 227.311 2.388 10 0 BEAERN CC(C)(C)c1cc(=O)[nH]c(C2(C)CC2)n1 ZINC000087548731 188317671 /nfs/dbraw/zinc/31/76/71/188317671.db2.gz AGCYMHRITNIYKT-UHFFFAOYSA-N 0 0 206.289 2.119 10 0 BEAERN CC(=O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000089194993 188318356 /nfs/dbraw/zinc/31/83/56/188318356.db2.gz LYZUVRNSEOBJOR-UHFFFAOYSA-N 0 0 240.165 2.087 10 0 BEAERN FC(F)(Cl)c1nc(Br)no1 ZINC000129640327 353326471 /nfs/dbraw/zinc/32/64/71/353326471.db2.gz KBEHTEWYSSVDKK-UHFFFAOYSA-N 0 0 233.399 2.120 10 0 BEAERN CN(C)c1ccc(C=O)c(OC2CC2)c1 ZINC000095741418 188320354 /nfs/dbraw/zinc/32/03/54/188320354.db2.gz BUVAHWFYHDXCFW-UHFFFAOYSA-N 0 0 205.257 2.106 10 0 BEAERN Nc1cncc(-c2cc(F)cc(F)c2)n1 ZINC000044120184 188325722 /nfs/dbraw/zinc/32/57/22/188325722.db2.gz ABGBGSSNMWAZOT-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN Nc1cc(-c2ccc3cnccc3c2)no1 ZINC000116421676 188328011 /nfs/dbraw/zinc/32/80/11/188328011.db2.gz ALXURXQUXMOXBS-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN CC(C)=CC(=O)Nc1ncc(C(C)=O)s1 ZINC000118684422 188328515 /nfs/dbraw/zinc/32/85/15/188328515.db2.gz UNRJRICVGPSPJD-UHFFFAOYSA-N 0 0 224.285 2.250 10 0 BEAERN CC(C)(C)[C@H](O)CSc1ncco1 ZINC000308126826 188338290 /nfs/dbraw/zinc/33/82/90/188338290.db2.gz BMKBAQXSBUHXGA-SSDOTTSWSA-N 0 0 201.291 2.174 10 0 BEAERN CSc1ccc(Oc2cnc(=O)[nH]c2)cc1 ZINC000025981773 188356175 /nfs/dbraw/zinc/35/61/75/188356175.db2.gz YSOBRCWTOKLDKQ-UHFFFAOYSA-N 0 0 234.280 2.284 10 0 BEAERN CCOc1cnc2c(CC)cnn2c1Cl ZINC000026486988 188357166 /nfs/dbraw/zinc/35/71/66/188357166.db2.gz SIWACKGVBCDSRI-UHFFFAOYSA-N 0 0 225.679 2.344 10 0 BEAERN Fc1cc(F)c(NCc2cc[nH]n2)cc1F ZINC000061093463 180951854 /nfs/dbraw/zinc/95/18/54/180951854.db2.gz WKIZOQLWQPVMDG-UHFFFAOYSA-N 0 0 227.189 2.439 10 0 BEAERN Cc1cccc(Cc2cc(=O)[nH]c(=S)[nH]2)c1 ZINC000013742883 188343571 /nfs/dbraw/zinc/34/35/71/188343571.db2.gz KHWQJTTWERTQIS-UHFFFAOYSA-N 0 0 232.308 2.332 10 0 BEAERN CC(C)[C@H](C)NC(=O)Nc1ccc(F)cn1 ZINC000181860309 188345064 /nfs/dbraw/zinc/34/50/64/188345064.db2.gz FGRPBPZSWPOUAL-QMMMGPOBSA-N 0 0 225.267 2.387 10 0 BEAERN C/C=C(\CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000190151737 188349589 /nfs/dbraw/zinc/34/95/89/188349589.db2.gz WINLKJPAXLCXLM-BMRUEUJLSA-N 0 0 211.305 2.026 10 0 BEAERN C=C/C=C/C(=O)Nc1cc(Cl)nc(Cl)n1 ZINC000059369750 188358879 /nfs/dbraw/zinc/35/88/79/188358879.db2.gz BFZJUZBBINSMHZ-ONEGZZNKSA-N 0 0 244.081 2.464 10 0 BEAERN CC(C)C[C@@H](C(N)=S)c1ccccn1 ZINC000033754263 188359713 /nfs/dbraw/zinc/35/97/13/188359713.db2.gz ZLCUCARGQQKEGI-SECBINFHSA-N 0 0 208.330 2.497 10 0 BEAERN C[C@H](CCC(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000061820583 188360065 /nfs/dbraw/zinc/36/00/65/188360065.db2.gz ZMZRGZKIJMHPMH-SNVBAGLBSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)C[C@H](C)CC(=O)NCC1(C)COC1 ZINC000112620139 188363713 /nfs/dbraw/zinc/36/37/13/188363713.db2.gz WIRKQLYFVJXIQH-NSHDSACASA-N 0 0 227.348 2.211 10 0 BEAERN CC(C)[C@H]1CCCN1C(=O)NC1CCC1 ZINC000122867944 188364264 /nfs/dbraw/zinc/36/42/64/188364264.db2.gz PAQMOFIVUBFUEH-LLVKDONJSA-N 0 0 210.321 2.369 10 0 BEAERN CC(C)[C@@H](O)C(C)(C)CNC(=O)N(C)C(C)C ZINC000190865773 353415639 /nfs/dbraw/zinc/41/56/39/353415639.db2.gz QHLJXRQWZJXYAR-LLVKDONJSA-N 0 0 244.379 2.079 10 0 BEAERN Nc1ccc(Sc2ccncc2)cn1 ZINC000087110138 353488969 /nfs/dbraw/zinc/48/89/69/353488969.db2.gz DNWPRPRXPGMRQF-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN COC(=O)c1c(O)cnc2ccc(C)cc21 ZINC000259027952 324191739 /nfs/dbraw/zinc/19/17/39/324191739.db2.gz ZFLWQUZOCAIQQB-UHFFFAOYSA-N 0 0 217.224 2.035 10 0 BEAERN Fc1cccc(Cl)c1[C@H]1NCCCO1 ZINC000049815903 181000180 /nfs/dbraw/zinc/00/01/80/181000180.db2.gz UZGFDDABBSUNRE-JTQLQIEISA-N 0 0 215.655 2.488 10 0 BEAERN Fc1cccc(Cl)c1[C@@H]1COCCN1 ZINC000058432028 181000682 /nfs/dbraw/zinc/00/06/82/181000682.db2.gz RJWGYTVFBRHDJD-VIFPVBQESA-N 0 0 215.655 2.140 10 0 BEAERN Fc1cccc(NCc2cncnc2)c1 ZINC000054766958 181001762 /nfs/dbraw/zinc/00/17/62/181001762.db2.gz VSONBWRTGFWPKE-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1cccc(NCCn2ccnc2)c1 ZINC000053520472 181001775 /nfs/dbraw/zinc/00/17/75/181001775.db2.gz YNRXOJSTUBUQDL-UHFFFAOYSA-N 0 0 205.236 2.134 10 0 BEAERN CC(C)(O)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000232576787 353735404 /nfs/dbraw/zinc/73/54/04/353735404.db2.gz LKIGHEOAZWOQQK-MNOVXSKESA-N 0 0 204.269 2.130 10 0 BEAERN CC(C)[C@H](O)Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232739107 353755623 /nfs/dbraw/zinc/75/56/23/353755623.db2.gz ZJKUMHQWULBPTB-DTWKUNHWSA-N 0 0 224.304 2.143 10 0 BEAERN CC(C)n1cc(-c2noc(Cl)n2)cn1 ZINC000232790498 353763451 /nfs/dbraw/zinc/76/34/51/353763451.db2.gz QAYSGKZQTXFNCJ-UHFFFAOYSA-N 0 0 212.640 2.167 10 0 BEAERN Cc1cc(CN2CCC(c3cc[nH]n3)CC2)no1 ZINC000195505994 353765686 /nfs/dbraw/zinc/76/56/86/353765686.db2.gz XRLUTVNAWULNBQ-UHFFFAOYSA-N 0 0 246.314 2.086 10 0 BEAERN Fc1cccnc1NCc1ccncc1 ZINC000054700548 181016090 /nfs/dbraw/zinc/01/60/90/181016090.db2.gz FRVUOCKMCPLDLX-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Ic1nccc2[nH]ccc21 ZINC000089220494 181022497 /nfs/dbraw/zinc/02/24/97/181022497.db2.gz QGXVGAKMSFELHC-UHFFFAOYSA-N 0 0 244.035 2.168 10 0 BEAERN Cn1cnnc1[C@H]1CCCC(F)(F)C1 ZINC000301024028 363337208 /nfs/dbraw/zinc/33/72/08/363337208.db2.gz RBGRUUQAJONOJU-ZETCQYMHSA-N 0 0 201.220 2.108 10 0 BEAERN Cc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C ZINC000334595609 354228618 /nfs/dbraw/zinc/22/86/18/354228618.db2.gz KETRRLRCGMQRKN-HTQZYQBOSA-N 0 0 226.345 2.374 10 0 BEAERN Cc1ccnc(N2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000334732017 354532265 /nfs/dbraw/zinc/53/22/65/354532265.db2.gz ZCILTVMKTRSZOH-CHWSQXEVSA-N 0 0 244.338 2.395 10 0 BEAERN CC1=C(C(=O)N2CCS[C@@H](C)C2)CCC1 ZINC000334695447 354486753 /nfs/dbraw/zinc/48/67/53/354486753.db2.gz GHUJARDFJPQYLS-JTQLQIEISA-N 0 0 225.357 2.451 10 0 BEAERN CCC1(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000334753515 354574840 /nfs/dbraw/zinc/57/48/40/354574840.db2.gz UFQMTXFDAFBGQN-VXGBXAGGSA-N 0 0 249.354 2.204 10 0 BEAERN CCC(C)(C)CC(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000335101488 354711683 /nfs/dbraw/zinc/71/16/83/354711683.db2.gz YLLNZCREIUTKGD-MNOVXSKESA-N 0 0 227.348 2.042 10 0 BEAERN C[C@@H]1COCC[C@H]1C(=O)[C@@H]1CCCS1 ZINC000301049826 363381800 /nfs/dbraw/zinc/38/18/00/363381800.db2.gz ZRCRGFYBTIXHPO-BBBLOLIVSA-N 0 0 214.330 2.124 10 0 BEAERN Brc1nc([C@@H]2CCCO2)ns1 ZINC000166028043 354835510 /nfs/dbraw/zinc/83/55/10/354835510.db2.gz XKLYYXLFWVBBCW-BYPYZUCNSA-N 0 0 235.106 2.152 10 0 BEAERN CCCCNC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000346065372 354852232 /nfs/dbraw/zinc/85/22/32/354852232.db2.gz YTUSJHUPNXSHFZ-ZSBIGDGJSA-N 0 0 242.363 2.289 10 0 BEAERN Cc1cc(O)cc(N)c1Br ZINC000215097430 363437531 /nfs/dbraw/zinc/43/75/31/363437531.db2.gz SEMNDYGXUIRPTF-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN C[C@H]1C[C@@H](c2nc(C3(C)CC3)no2)CC[N@@H+]1C ZINC000335168664 354930124 /nfs/dbraw/zinc/93/01/24/354930124.db2.gz GOSGPUQKOYDHMY-UWVGGRQHSA-N 0 0 235.331 2.319 10 0 BEAERN Cc1cccnc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000335221637 355061689 /nfs/dbraw/zinc/06/16/89/355061689.db2.gz UXMRKXTYTRKTPL-WDEREUQCSA-N 0 0 231.299 2.406 10 0 BEAERN Cc1cccnc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000335221635 355062028 /nfs/dbraw/zinc/06/20/28/355062028.db2.gz UXMRKXTYTRKTPL-MNOVXSKESA-N 0 0 231.299 2.406 10 0 BEAERN COC1(CNc2nccnc2C(C)C)CCC1 ZINC000413240231 191363846 /nfs/dbraw/zinc/36/38/46/191363846.db2.gz RUUHMSQOVJBQLI-UHFFFAOYSA-N 0 0 235.331 2.003 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CCSC1 ZINC000413259988 191366589 /nfs/dbraw/zinc/36/65/89/191366589.db2.gz FAJGOMQTWGITRK-SNVBAGLBSA-N 0 0 237.372 2.187 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@](C)(O)CC1 ZINC000413264186 191366763 /nfs/dbraw/zinc/36/67/63/191366763.db2.gz JIQQMQNIMSMECF-AWEZNQCLSA-N 0 0 249.358 2.341 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CC12CCOCC2 ZINC000413313349 191371603 /nfs/dbraw/zinc/37/16/03/191371603.db2.gz HIVHRDUSXHVHNA-LLVKDONJSA-N 0 0 247.342 2.003 10 0 BEAERN CC[C@@H]1C[C@H]1CNc1nccnc1C(C)C ZINC000413319360 191372507 /nfs/dbraw/zinc/37/25/07/191372507.db2.gz UFLIBZJPRAXEBX-MNOVXSKESA-N 0 0 219.332 2.480 10 0 BEAERN Nc1ccccc1-c1nccnc1Cl ZINC000059555512 355377342 /nfs/dbraw/zinc/37/73/42/355377342.db2.gz MNTYBUOGGVQIOM-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN C[C@@H]1OCC(=O)[C@H]1CC=C(Cl)Cl ZINC000405911227 355380661 /nfs/dbraw/zinc/38/06/61/355380661.db2.gz ZKXJNRDUUQWJKB-WDSKDSINSA-N 0 0 209.072 2.300 10 0 BEAERN CCCCC[C@H](NCC1CC1)C(=O)OCC ZINC000037968161 168744780 /nfs/dbraw/zinc/74/47/80/168744780.db2.gz HOYWPTPXYGQYAE-LBPRGKRZSA-N 0 0 227.348 2.498 10 0 BEAERN COc1cccnc1[C@@H]1CCCC(=O)C1 ZINC000229827488 355413905 /nfs/dbraw/zinc/41/39/05/355413905.db2.gz HYMNQMRITIRWCT-SECBINFHSA-N 0 0 205.257 2.317 10 0 BEAERN Cc1cnc(NC(=O)N2C[C@@H]3CCC[C@@H]32)s1 ZINC000335998302 134043255 /nfs/dbraw/zinc/04/32/55/134043255.db2.gz WUXFVXZJEUPJIQ-IUCAKERBSA-N 0 0 237.328 2.468 10 0 BEAERN CON[C@H]1COc2cc(F)c(Cl)cc21 ZINC000134375636 355594941 /nfs/dbraw/zinc/59/49/41/355594941.db2.gz CDDNHRLOVQXYDE-QMMMGPOBSA-N 0 0 217.627 2.064 10 0 BEAERN O=C(c1ccccc1)N1C[C@@H]2CCC[C@H]21 ZINC000335871913 355638490 /nfs/dbraw/zinc/63/84/90/355638490.db2.gz OZVHWOBDWLSAEC-NWDGAFQWSA-N 0 0 201.269 2.311 10 0 BEAERN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C)C1 ZINC000336010818 134050686 /nfs/dbraw/zinc/05/06/86/134050686.db2.gz IIZCAHZTQQOVIN-CHWSQXEVSA-N 0 0 238.375 2.118 10 0 BEAERN CC1(C)CSC(NCc2ccco2)=[NH+]1 ZINC000035082523 355798094 /nfs/dbraw/zinc/79/80/94/355798094.db2.gz CIGIHQUCKQMDPZ-UHFFFAOYSA-N 0 0 210.302 2.251 10 0 BEAERN Nc1ccc(SCCOCCO)c(Cl)c1 ZINC000040229083 355799658 /nfs/dbraw/zinc/79/96/58/355799658.db2.gz XUMDFYFUNPPQPL-UHFFFAOYSA-N 0 0 247.747 2.023 10 0 BEAERN CC1CCC([C@@H](O)c2cnsn2)CC1 ZINC000160271129 355804869 /nfs/dbraw/zinc/80/48/69/355804869.db2.gz MREZMMHOHLTPSH-SFVIPPHHSA-N 0 0 212.318 2.398 10 0 BEAERN C[C@@H](Nc1cc(C(=O)[O-])ccn1)c1ccncc1 ZINC000035126590 355840012 /nfs/dbraw/zinc/84/00/12/355840012.db2.gz RZIGOAYTKRKLCV-SECBINFHSA-N 0 0 243.266 2.348 10 0 BEAERN N[C@@H](c1ccc(Br)o1)C1=CCCO1 ZINC000168467087 355840932 /nfs/dbraw/zinc/84/09/32/355840932.db2.gz KFJCQBGRBHBWRX-SECBINFHSA-N 0 0 244.088 2.346 10 0 BEAERN CCc1nnsc1[C@@H](O)c1ccsc1 ZINC000160289548 355850491 /nfs/dbraw/zinc/85/04/91/355850491.db2.gz LNAFQXPSXXTDLP-QMMMGPOBSA-N 0 0 226.326 2.244 10 0 BEAERN NC(=O)C1(Nc2ccc(Cl)cc2)CCC1 ZINC000037945291 181215485 /nfs/dbraw/zinc/21/54/85/181215485.db2.gz WNQNFXJLFQXHJH-UHFFFAOYSA-N 0 0 224.691 2.160 10 0 BEAERN Cc1ccc([C@@H](O)Cc2ncc[nH]2)s1 ZINC000040261600 355913746 /nfs/dbraw/zinc/91/37/46/355913746.db2.gz HQUXMGKSVXQJND-QMMMGPOBSA-N 0 0 208.286 2.056 10 0 BEAERN Cc1ccc([C@H](O)Cc2ncc[nH]2)s1 ZINC000040261599 355914110 /nfs/dbraw/zinc/91/41/10/355914110.db2.gz HQUXMGKSVXQJND-MRVPVSSYSA-N 0 0 208.286 2.056 10 0 BEAERN Cc1ccc(C=O)c(-c2nccn2C)c1 ZINC000129710578 355921432 /nfs/dbraw/zinc/92/14/32/355921432.db2.gz WNDHTNTWJLDGEW-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN CC(C)(C)OC(=O)Cc1ccc(F)cc1N ZINC000403158299 355884259 /nfs/dbraw/zinc/88/42/59/355884259.db2.gz FLGUIMAQEQUVTL-UHFFFAOYSA-N 0 0 225.263 2.292 10 0 BEAERN C[C@H]1CC[C@H](NC2N=NC(=S)S2)C1 ZINC000129713333 355951239 /nfs/dbraw/zinc/95/12/39/355951239.db2.gz DWOAVKNKLRKXMO-WDSKDSINSA-N 0 0 215.347 2.427 10 0 BEAERN NC(=O)CNc1ccc(Oc2ccccc2)cc1 ZINC000020042634 181237284 /nfs/dbraw/zinc/23/72/84/181237284.db2.gz XYSISHGDFQNAIH-UHFFFAOYSA-N 0 0 242.278 2.376 10 0 BEAERN NC(=O)CCNc1cc(Cl)cc(Cl)c1 ZINC000036924319 181225351 /nfs/dbraw/zinc/22/53/51/181225351.db2.gz KLNGRCVWSKJDRF-UHFFFAOYSA-N 0 0 233.098 2.281 10 0 BEAERN NC(=O)CCc1cccc(Cl)c1Cl ZINC000038339408 181227453 /nfs/dbraw/zinc/22/74/53/181227453.db2.gz SJHDFJKJPCOPNJ-UHFFFAOYSA-N 0 0 218.083 2.411 10 0 BEAERN CC[C@H](C)NC(=O)N[C@H](C)c1ncc(C)o1 ZINC000351721844 356071739 /nfs/dbraw/zinc/07/17/39/356071739.db2.gz IICVFJLQOWPFMO-IONNQARKSA-N 0 0 225.292 2.142 10 0 BEAERN CCCCN(C)C(=O)C(C)(C)Br ZINC000041699181 168759194 /nfs/dbraw/zinc/75/91/94/168759194.db2.gz UNRROPRBKDWUES-UHFFFAOYSA-N 0 0 236.153 2.418 10 0 BEAERN NC(=O)N(O)[C@H]1COc2c1ccc1ccccc21 ZINC000013760604 181249645 /nfs/dbraw/zinc/24/96/45/181249645.db2.gz RZIXULQOGAETTQ-NSHDSACASA-N 0 0 244.250 2.043 10 0 BEAERN NC(=O)[C@@H](Nc1ccc(F)cc1)[C@H]1CC=CCC1 ZINC000037942778 181265993 /nfs/dbraw/zinc/26/59/93/181265993.db2.gz GYSQVCMOHHGYCG-GWCFXTLKSA-N 0 0 248.301 2.448 10 0 BEAERN NC(=O)[C@@H]1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000013677624 181272483 /nfs/dbraw/zinc/27/24/83/181272483.db2.gz AAALFTUMOWSRRM-SSDOTTSWSA-N 0 0 248.713 2.412 10 0 BEAERN CCOC(=O)c1c(OC)cc(F)c(F)c1F ZINC000396123354 356455716 /nfs/dbraw/zinc/45/57/16/356455716.db2.gz ZHDYDRIIOPSTQO-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN COC(=O)c1cc(F)c(C(F)F)c(C#N)c1 ZINC000396162564 356463745 /nfs/dbraw/zinc/46/37/45/356463745.db2.gz PDOOVDIUEWZNLE-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]21 ZINC000145565811 356482123 /nfs/dbraw/zinc/48/21/23/356482123.db2.gz PTJMSNXGHGOXPN-NEPJUHHUSA-N 0 0 217.268 2.417 10 0 BEAERN C[C@H]([NH3+])C(=O)Cc1c(Cl)cccc1Cl ZINC000167953469 356486699 /nfs/dbraw/zinc/48/66/99/356486699.db2.gz BQUAVXOCNZNQKX-LURJTMIESA-N 0 0 232.110 2.452 10 0 BEAERN Cc1[nH]c(=O)nc2ccc(Br)cc12 ZINC000143376973 356472758 /nfs/dbraw/zinc/47/27/58/356472758.db2.gz RFGJVDCUAVKYLT-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN CN(C#N)Cc1cccc(Br)c1 ZINC000168173049 356504999 /nfs/dbraw/zinc/50/49/99/356504999.db2.gz PBVUWZRZIUDCGQ-UHFFFAOYSA-N 0 0 225.089 2.362 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000613537814 363479147 /nfs/dbraw/zinc/47/91/47/363479147.db2.gz JIWFSKGSEFHCIU-CHWSQXEVSA-N 0 0 242.322 2.372 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ncnc3sccc32)C1 ZINC000613538491 363479272 /nfs/dbraw/zinc/47/92/72/363479272.db2.gz SCFHVIKJOIJDST-IUCAKERBSA-N 0 0 249.339 2.407 10 0 BEAERN COC(=O)c1cc(F)cnc1C(F)(F)F ZINC000238364499 363488049 /nfs/dbraw/zinc/48/80/49/363488049.db2.gz FRTPZJFNYNNNQP-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CC(=O)[C@H]1Cc2cccc(Cl)c2C(=O)O1 ZINC000125244484 538467412 /nfs/dbraw/zinc/46/74/12/538467412.db2.gz ZOQMRGFUUXKJPG-SECBINFHSA-N 0 0 224.643 2.011 10 0 BEAERN Cc1cccc(C(=O)Cc2ccoc2)n1 ZINC000130614724 363523739 /nfs/dbraw/zinc/52/37/39/363523739.db2.gz CMHQHFONWUYAPM-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN Nc1c(F)ccc(-c2cncnc2)c1F ZINC000675056936 538479490 /nfs/dbraw/zinc/47/94/90/538479490.db2.gz RUTHFNUMYBXEJU-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN O=Cc1cc(-c2cncc(C=O)c2)cs1 ZINC000675057490 538480092 /nfs/dbraw/zinc/48/00/92/538480092.db2.gz DBSRAVRNRZIUKB-UHFFFAOYSA-N 0 0 217.249 2.435 10 0 BEAERN O=Cc1cncc(-c2cccc(CO)c2)c1 ZINC000675058034 538480900 /nfs/dbraw/zinc/48/09/00/538480900.db2.gz QEIXBNDTVKNUED-UHFFFAOYSA-N 0 0 213.236 2.053 10 0 BEAERN CC[NH2+]Cc1occ(C(C)(C)C)c1C(=O)[O-] ZINC000675051605 538474805 /nfs/dbraw/zinc/47/48/05/538474805.db2.gz PHVZIBIHQFSVAC-UHFFFAOYSA-N 0 0 225.288 2.385 10 0 BEAERN CCC(C)(C)c1coc(C[NH3+])c1C(=O)[O-] ZINC000675051486 538474831 /nfs/dbraw/zinc/47/48/31/538474831.db2.gz MBIPODRTILNCSB-UHFFFAOYSA-N 0 0 211.261 2.124 10 0 BEAERN C[C@@H]1CCC[C@H]([C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)C1 ZINC000675059811 538484980 /nfs/dbraw/zinc/48/49/80/538484980.db2.gz NHAZACQNFLMRCI-NOOOWODRSA-N 0 0 225.332 2.266 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](C2CCCCC2)C[NH2+]1 ZINC000675060158 538485824 /nfs/dbraw/zinc/48/58/24/538485824.db2.gz SNNFZXPLKYJSIO-WDEREUQCSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@H]1Cc2c[nH+]c(N)c(C(=O)[O-])c2[C@@H](C)C1 ZINC000675063810 538490585 /nfs/dbraw/zinc/49/05/85/538490585.db2.gz PDYDWIZPMAYVET-RQJHMYQMSA-N 0 0 220.272 2.048 10 0 BEAERN CCCc1cn2c(n1)C(C)(C)[NH2+]CCC2 ZINC000675067392 538493560 /nfs/dbraw/zinc/49/35/60/538493560.db2.gz CKPRYNKULWNDMA-UHFFFAOYSA-N 0 0 207.321 2.064 10 0 BEAERN Cc1cc(F)ccc1-c1c(N)cnn1C ZINC000675070131 538499859 /nfs/dbraw/zinc/49/98/59/538499859.db2.gz MEFVJKWGRWLJJV-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cn1ncc(N)c1-c1cccc(C(F)(F)F)n1 ZINC000675070609 538501171 /nfs/dbraw/zinc/50/11/71/538501171.db2.gz QBBBEALJBCZATN-UHFFFAOYSA-N 0 0 242.204 2.083 10 0 BEAERN CC(C)C1CCC(O)(C(F)(F)CN)CC1 ZINC000675073477 538505928 /nfs/dbraw/zinc/50/59/28/538505928.db2.gz JSPDRRJYZJSIRG-UHFFFAOYSA-N 0 0 221.291 2.158 10 0 BEAERN CCN[S@@](=O)(=NC(C)C)c1cccc(N)c1 ZINC000675075221 538508127 /nfs/dbraw/zinc/50/81/27/538508127.db2.gz MZBNULIOFQDVHO-MRXNPFEDSA-N 0 0 241.360 2.029 10 0 BEAERN CCCC(=O)[C@H]1Cc2cccc(OC)c2O1 ZINC000675081272 538521133 /nfs/dbraw/zinc/52/11/33/538521133.db2.gz PBJVMEMXMFGITP-GFCCVEGCSA-N 0 0 220.268 2.368 10 0 BEAERN CCCC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000675081294 538521640 /nfs/dbraw/zinc/52/16/40/538521640.db2.gz PPFKCVPSQYYPLP-LLVKDONJSA-N 0 0 208.232 2.498 10 0 BEAERN CC(C)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000675081583 538522729 /nfs/dbraw/zinc/52/27/29/538522729.db2.gz UIRNXSLXDOOCGT-SNVBAGLBSA-N 0 0 208.232 2.354 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@H](C)C[C@@H]2C ZINC000084324685 538530933 /nfs/dbraw/zinc/53/09/33/538530933.db2.gz MPCLRCRVHKZOBI-GMOBBJLQSA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)[C@@H]1OC12CCCCCCC2 ZINC000084324784 538532828 /nfs/dbraw/zinc/53/28/28/538532828.db2.gz VTRYDSFXBNZTEK-JTQLQIEISA-N 0 0 212.289 2.431 10 0 BEAERN COC(=O)C[C@@H]1CCNc2ccccc21 ZINC000084771618 538534968 /nfs/dbraw/zinc/53/49/68/538534968.db2.gz DBRFPDFFGHMKSP-VIFPVBQESA-N 0 0 205.257 2.149 10 0 BEAERN CC[C@@H]1CCC[C@@]2(C1)O[C@]2(C)C(=O)OC ZINC000085658030 538545200 /nfs/dbraw/zinc/54/52/00/538545200.db2.gz RJIFMJGEEOQXCM-JLLWLGSASA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCCCC2(C)C ZINC000086849327 538561123 /nfs/dbraw/zinc/56/11/23/538561123.db2.gz RWPXEUMNTLGQRS-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@H]1O[C@@]1(C)[C@@H]1CC2CCC1CC2 ZINC000381762433 538553894 /nfs/dbraw/zinc/55/38/94/538553894.db2.gz XGNNOHBGPONGAA-IOSQYBNKSA-N 0 0 224.300 2.143 10 0 BEAERN CC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000221184252 538554922 /nfs/dbraw/zinc/55/49/22/538554922.db2.gz YJTLWHISVMGDIT-ZJUUUORDSA-N 0 0 225.288 2.045 10 0 BEAERN CCOC[C@@H](O)CCCc1ccccc1 ZINC000084063456 538526641 /nfs/dbraw/zinc/52/66/41/538526641.db2.gz LAQWGPFFIPCFNI-ZDUSSCGKSA-N 0 0 208.301 2.407 10 0 BEAERN Nc1nn(Cc2ccncc2Cl)cc1Cl ZINC000084085187 538527660 /nfs/dbraw/zinc/52/76/60/538527660.db2.gz FARFHQCQXDJUBS-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN O=C1C[C@@H](c2ccc(F)c(C(F)(F)F)c2)CN1 ZINC000130175722 538583467 /nfs/dbraw/zinc/58/34/67/538583467.db2.gz HBIFZKYSKCSIIK-SSDOTTSWSA-N 0 0 247.191 2.448 10 0 BEAERN O=C1C[C@H](c2ccc(F)c(C(F)(F)F)c2)CN1 ZINC000130175911 538583534 /nfs/dbraw/zinc/58/35/34/538583534.db2.gz HBIFZKYSKCSIIK-ZETCQYMHSA-N 0 0 247.191 2.448 10 0 BEAERN C[C@H]1CC[C@H](c2nc(-c3cncs3)no2)O1 ZINC000350907131 366368268 /nfs/dbraw/zinc/36/82/68/366368268.db2.gz GOFOCYAHMPZHKH-NKWVEPMBSA-N 0 0 237.284 2.433 10 0 BEAERN Cc1ccc2[nH]c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000096638722 538614567 /nfs/dbraw/zinc/61/45/67/538614567.db2.gz ZYZVSZMFPNNDCL-LLVKDONJSA-N 0 0 245.326 2.080 10 0 BEAERN CCOC(=O)c1noc(-c2ccc(Cl)o2)n1 ZINC000227634805 538701241 /nfs/dbraw/zinc/70/12/41/538701241.db2.gz AFMDVNOWLMJZAH-UHFFFAOYSA-N 0 0 242.618 2.160 10 0 BEAERN CCc1noc(C)c1NC(=O)N[C@@H]1C[C@@H]1C ZINC000155252949 538708471 /nfs/dbraw/zinc/70/84/71/538708471.db2.gz DPGHBQBADKMSSS-IMTBSYHQSA-N 0 0 223.276 2.075 10 0 BEAERN CCOC(=O)/C=C/c1cnccc1Cl ZINC000168447195 356898931 /nfs/dbraw/zinc/89/89/31/356898931.db2.gz FJRYWVGFSSUBEA-ONEGZZNKSA-N 0 0 211.648 2.311 10 0 BEAERN COc1cc(Br)nc(C2CC2)n1 ZINC000160423135 356962678 /nfs/dbraw/zinc/96/26/78/356962678.db2.gz SQXXZPQLDROQGQ-UHFFFAOYSA-N 0 0 229.077 2.125 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NCC(F)(F)F ZINC000130767601 325085182 /nfs/dbraw/zinc/08/51/82/325085182.db2.gz SLVASIGPOJHLET-UHFFFAOYSA-N 0 0 239.237 2.060 10 0 BEAERN CC(C)CNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117565170 356981036 /nfs/dbraw/zinc/98/10/36/356981036.db2.gz SAFZOWAYROPYQZ-ZWNOBZJWSA-N 0 0 233.311 2.323 10 0 BEAERN CO[C@@H](C)CNc1cc(Cl)ccc1N ZINC000223655179 356987517 /nfs/dbraw/zinc/98/75/17/356987517.db2.gz IJSAJAZFKPREJQ-ZETCQYMHSA-N 0 0 214.696 2.369 10 0 BEAERN CC[N@H+](Cc1ccccn1)C[C@@](C)(O)CC ZINC000119427559 357024169 /nfs/dbraw/zinc/02/41/69/357024169.db2.gz BHONMCZYFKRTOF-ZDUSSCGKSA-N 0 0 222.332 2.065 10 0 BEAERN CN(c1csc(C=O)c1)C1CCOCC1 ZINC000160531913 357041598 /nfs/dbraw/zinc/04/15/98/357041598.db2.gz NZGWSYJNVZMHCP-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1(C)CCCCC1 ZINC000156167957 538771272 /nfs/dbraw/zinc/77/12/72/538771272.db2.gz YUJFZCOCQJZILY-LLVKDONJSA-N 0 0 241.375 2.480 10 0 BEAERN O[C@@H]1CCOc2c(F)ccc(Br)c21 ZINC000160506551 357019549 /nfs/dbraw/zinc/01/95/49/357019549.db2.gz PKTMYKHVYWNREG-SSDOTTSWSA-N 0 0 247.063 2.404 10 0 BEAERN CC(C)CN(C)c1cc(Br)ncn1 ZINC000160555892 357062375 /nfs/dbraw/zinc/06/23/75/357062375.db2.gz BKPNIHGPOHAASO-UHFFFAOYSA-N 0 0 244.136 2.331 10 0 BEAERN O=c1[nH]ncc2sc(-c3ccncc3)cc21 ZINC000226117647 357079984 /nfs/dbraw/zinc/07/99/84/357079984.db2.gz GIFHQVXHCVYHEC-UHFFFAOYSA-N 0 0 229.264 2.047 10 0 BEAERN O=Cc1ccc(-n2cc(Cl)cn2)s1 ZINC000160577207 357080447 /nfs/dbraw/zinc/08/04/47/357080447.db2.gz ZFJPDKKPFAVTDP-UHFFFAOYSA-N 0 0 212.661 2.400 10 0 BEAERN CCOc1ccc2[nH]c(CC[C@@H](C)O)nc2c1 ZINC000026462135 357136042 /nfs/dbraw/zinc/13/60/42/357136042.db2.gz JRSGGVWMLVQNHE-SECBINFHSA-N 0 0 234.299 2.275 10 0 BEAERN CC(C)Cn1c2ccccc2nc1NC[C@@H](C)O ZINC000026474274 357144834 /nfs/dbraw/zinc/14/48/34/357144834.db2.gz GAILBOFLQAWDJY-LLVKDONJSA-N 0 0 247.342 2.485 10 0 BEAERN CC1(C)C[C@@H]1Nc1cc(Br)ncn1 ZINC000160658148 357159242 /nfs/dbraw/zinc/15/92/42/357159242.db2.gz PVODHZZABIVZEK-LURJTMIESA-N 0 0 242.120 2.450 10 0 BEAERN CCn1cc(C(=O)c2ccccc2)cn1 ZINC000026545747 357174104 /nfs/dbraw/zinc/17/41/04/357174104.db2.gz DCROYGNCYHKOMU-UHFFFAOYSA-N 0 0 200.241 2.134 10 0 BEAERN C[C@H]1C[C@@H]1Nc1cc(Br)ncn1 ZINC000160673166 357168212 /nfs/dbraw/zinc/16/82/12/357168212.db2.gz JFODTNFBYIAZBC-WDSKDSINSA-N 0 0 228.093 2.059 10 0 BEAERN Nc1c2ncsc2ccc1NC1CC1 ZINC000035344273 357192638 /nfs/dbraw/zinc/19/26/38/357192638.db2.gz GYDWLDJHCNTZAN-UHFFFAOYSA-N 0 0 205.286 2.453 10 0 BEAERN Clc1ccc(NCc2ncno2)cc1 ZINC000040454120 357240759 /nfs/dbraw/zinc/24/07/59/357240759.db2.gz RNQWRGUSVBKOAJ-UHFFFAOYSA-N 0 0 209.636 2.335 10 0 BEAERN O[C@@H](Cc1cccs1)c1ccccn1 ZINC000053782899 357180015 /nfs/dbraw/zinc/18/00/15/357180015.db2.gz YHGCCVUGRWBWSJ-NSHDSACASA-N 0 0 205.282 2.419 10 0 BEAERN O[C@H](Cc1cccs1)c1ccccn1 ZINC000053782898 357180020 /nfs/dbraw/zinc/18/00/20/357180020.db2.gz YHGCCVUGRWBWSJ-LLVKDONJSA-N 0 0 205.282 2.419 10 0 BEAERN COc1nc(NC(C)C)ncc1Br ZINC000226125239 357180051 /nfs/dbraw/zinc/18/00/51/357180051.db2.gz CLZDOEOGXDUIDA-UHFFFAOYSA-N 0 0 246.108 2.068 10 0 BEAERN Cc1cc([C@@H](NN)c2ccco2)cs1 ZINC000168826250 357246516 /nfs/dbraw/zinc/24/65/16/357246516.db2.gz BRPQISXJJXEFHL-SNVBAGLBSA-N 0 0 208.286 2.202 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cnco2)C1 ZINC000169251638 357265238 /nfs/dbraw/zinc/26/52/38/357265238.db2.gz YQBKKJDTDVPVLG-VIFPVBQESA-N 0 0 238.287 2.399 10 0 BEAERN COC(=O)c1c(Cl)onc1C(C)(C)C ZINC000259768086 538828528 /nfs/dbraw/zinc/82/85/28/538828528.db2.gz VKUQBJPNIDAACG-UHFFFAOYSA-N 0 0 217.652 2.412 10 0 BEAERN C[C@H]1CCSCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000385329251 357404755 /nfs/dbraw/zinc/40/47/55/357404755.db2.gz OWQQTZHFIJENTR-YFKTTZPYSA-N 0 0 239.384 2.387 10 0 BEAERN COC(=O)c1cc2cc(F)c(OC)cc2o1 ZINC000260018456 538836418 /nfs/dbraw/zinc/83/64/18/538836418.db2.gz JSLFBMOUVIAGGF-UHFFFAOYSA-N 0 0 224.187 2.367 10 0 BEAERN C[C@@H]([N@H+](C)Cc1nc(C(=O)[O-])co1)C(C)(C)C ZINC000387120087 357470035 /nfs/dbraw/zinc/47/00/35/357470035.db2.gz FYBFJBNROZUOOX-MRVPVSSYSA-N 0 0 240.303 2.239 10 0 BEAERN COC(=O)c1n[nH]nc1C1CCCCCC1 ZINC000260613695 538847474 /nfs/dbraw/zinc/84/74/74/538847474.db2.gz CAYONLWULZLRNM-UHFFFAOYSA-N 0 0 223.276 2.029 10 0 BEAERN C/C(=C\c1cc(F)c(F)cc1F)CO ZINC000393675255 357545312 /nfs/dbraw/zinc/54/53/12/357545312.db2.gz VGTKGQBVTSUBNR-QHHAFSJGSA-N 0 0 202.175 2.500 10 0 BEAERN CCC(C)(CC)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000158544392 538863898 /nfs/dbraw/zinc/86/38/98/538863898.db2.gz YRSALJCIODCBTB-QWRGUYRKSA-N 0 0 227.348 2.449 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@@H]1C ZINC000188861899 357591974 /nfs/dbraw/zinc/59/19/74/357591974.db2.gz YCFPYQCZDUXBDK-DDHJBXDOSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@H](N(C)C(=O)[C@@H]1CCCO[C@H]1C)C1(C)CC1 ZINC000189149051 357607023 /nfs/dbraw/zinc/60/70/23/357607023.db2.gz ZVVYSCLWJKRVIN-SDDRHHMPSA-N 0 0 239.359 2.449 10 0 BEAERN CCOC1CC(N[C@H](C)c2ncc(C)o2)C1 ZINC000231531938 357609068 /nfs/dbraw/zinc/60/90/68/357609068.db2.gz KONXFHDMSYVGHP-KPPDAEKUSA-N 0 0 224.304 2.201 10 0 BEAERN COC1CCN(c2csc(C=O)c2)CC1 ZINC000160527245 538885293 /nfs/dbraw/zinc/88/52/93/538885293.db2.gz OSMLTHRKYJDMDN-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN C[N@H+](C1CC1)C1CCC(C)(C(=O)[O-])CC1 ZINC000685946542 538885955 /nfs/dbraw/zinc/88/59/55/538885955.db2.gz CHCOGOQSUOKCII-UHFFFAOYSA-N 0 0 211.305 2.114 10 0 BEAERN CC1(C(=O)NC[C@H]2CCC[C@H]2O)CCCCC1 ZINC000232226996 357653554 /nfs/dbraw/zinc/65/35/54/357653554.db2.gz ZZXZEJCJEKQKLY-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN CC(C)C(=O)NC(C)(C)c1ccc(N)cc1 ZINC000685949391 538892373 /nfs/dbraw/zinc/89/23/73/538892373.db2.gz RBATXRMOZRDMRH-UHFFFAOYSA-N 0 0 220.316 2.276 10 0 BEAERN CC(C)(C)C1N=NC(=S)N1CC(F)F ZINC000685949463 538892659 /nfs/dbraw/zinc/89/26/59/538892659.db2.gz AFKFOZMATLPEGX-UHFFFAOYSA-N 0 0 221.276 2.129 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCCC1=CCCC1 ZINC000189728180 357666158 /nfs/dbraw/zinc/66/61/58/357666158.db2.gz YLDHCZGAMVYPEB-YPMHNXCESA-N 0 0 237.343 2.418 10 0 BEAERN CC(C)(C)CN1C(=S)N=NC1c1cnoc1 ZINC000685949932 538893076 /nfs/dbraw/zinc/89/30/76/538893076.db2.gz JSUZTAQBRHQSBD-UHFFFAOYSA-N 0 0 238.316 2.268 10 0 BEAERN CCCn1c(C(F)(F)CC)n[nH]c1=S ZINC000685950350 538894033 /nfs/dbraw/zinc/89/40/33/538894033.db2.gz YBJYNIMEYVKJET-UHFFFAOYSA-N 0 0 221.276 2.479 10 0 BEAERN COC(=O)[C@H]1Cc2c(cc(C)cc2Cl)O1 ZINC000685951497 538894934 /nfs/dbraw/zinc/89/49/34/538894934.db2.gz AQVAPTOQBXLSMP-SNVBAGLBSA-N 0 0 226.659 2.125 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H](C)[C@@H](C)CC ZINC000685952925 538895330 /nfs/dbraw/zinc/89/53/30/538895330.db2.gz HENYVYZDTCBJGH-JGVFFNPUSA-N 0 0 225.292 2.131 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@@H]1C ZINC000189902922 357675283 /nfs/dbraw/zinc/67/52/83/357675283.db2.gz ORPPJEDWCZRZIC-YVECIDJPSA-N 0 0 239.359 2.306 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000190275398 357697963 /nfs/dbraw/zinc/69/79/63/357697963.db2.gz DQBFMSSVWIXNOB-UTUOFQBUSA-N 0 0 225.332 2.060 10 0 BEAERN COCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190372197 357703932 /nfs/dbraw/zinc/70/39/32/357703932.db2.gz XOFDGLDTQTUIBT-WPRPVWTQSA-N 0 0 240.303 2.135 10 0 BEAERN CCn1cc([C@H]2CN(CC3CCC3)CCO2)cn1 ZINC000190791833 357731112 /nfs/dbraw/zinc/73/11/12/357731112.db2.gz FXZXJQGDLJZHFI-CQSZACIVSA-N 0 0 249.358 2.076 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000191689387 357799375 /nfs/dbraw/zinc/79/93/75/357799375.db2.gz QLZSUYBWFMMDPL-SKDRFNHKSA-N 0 0 237.343 2.106 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CCCO[C@@H]1C)C(C)C ZINC000191897320 357803144 /nfs/dbraw/zinc/80/31/44/357803144.db2.gz JPAOZRNHVZFBBG-VXGBXAGGSA-N 0 0 227.348 2.447 10 0 BEAERN C=CCCCCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000034546580 357916803 /nfs/dbraw/zinc/91/68/03/357916803.db2.gz PPJPHANRMDBDLV-LLVKDONJSA-N 0 0 226.364 2.222 10 0 BEAERN CC1(C)CCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000102918694 357948501 /nfs/dbraw/zinc/94/85/01/357948501.db2.gz ZQKJIIINYNRESX-UHFFFAOYSA-N 0 0 247.342 2.303 10 0 BEAERN CC(C)(CO)Nc1ccc(Cl)cc1N ZINC000035600073 358002559 /nfs/dbraw/zinc/00/25/59/358002559.db2.gz MMEXHCUUIDCSQQ-UHFFFAOYSA-N 0 0 214.696 2.105 10 0 BEAERN COC[C@@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000103372376 358047628 /nfs/dbraw/zinc/04/76/28/358047628.db2.gz WSOXLOMGVPVRTJ-SNVBAGLBSA-N 0 0 225.332 2.203 10 0 BEAERN CCC[C@H](N)c1nc(Cc2ccccc2)no1 ZINC000036830831 358054085 /nfs/dbraw/zinc/05/40/85/358054085.db2.gz YRSASFRLODTGAU-NSHDSACASA-N 0 0 231.299 2.460 10 0 BEAERN COc1ccc(CC(=O)C(F)(F)F)cc1OC ZINC000038125243 358117293 /nfs/dbraw/zinc/11/72/93/358117293.db2.gz ANFPDLMOYPSZMH-UHFFFAOYSA-N 0 0 248.200 2.378 10 0 BEAERN C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000394780109 491122580 /nfs/dbraw/zinc/12/25/80/491122580.db2.gz GAVTVIMRFWTDCF-QNWHQSFQSA-N 0 0 239.359 2.465 10 0 BEAERN Nc1ccc(-n2cnc3ccccc32)cc1N ZINC000038417558 358151105 /nfs/dbraw/zinc/15/11/05/358151105.db2.gz YRRGNXSYJOLCKU-UHFFFAOYSA-N 0 0 224.267 2.190 10 0 BEAERN C[C@@H](O)CNc1nccc2sccc21 ZINC000035687776 358182938 /nfs/dbraw/zinc/18/29/38/358182938.db2.gz WKMCPHLIEYVCLC-SSDOTTSWSA-N 0 0 208.286 2.089 10 0 BEAERN C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)(C)C ZINC000172136720 134261996 /nfs/dbraw/zinc/26/19/96/134261996.db2.gz KDZZGHXBHDIBSA-ZDCRXTMVSA-N 0 0 225.332 2.105 10 0 BEAERN C=C(C)[C@@H]1CC=C(C)C(=O)[C@H]1OCOC ZINC000039109024 358214784 /nfs/dbraw/zinc/21/47/84/358214784.db2.gz JOIKLCTUOMKGCA-JQWIXIFHSA-N 0 0 210.273 2.087 10 0 BEAERN c1ccc2c(c1)C[C@@H]2CNc1cccnn1 ZINC000052816090 358232448 /nfs/dbraw/zinc/23/24/48/358232448.db2.gz FQDCUGHMRCJCMD-LLVKDONJSA-N 0 0 211.268 2.228 10 0 BEAERN Cc1cccc(OCCNc2cccnn2)c1 ZINC000052831269 358232750 /nfs/dbraw/zinc/23/27/50/358232750.db2.gz OUAKOBRMTQBBPK-UHFFFAOYSA-N 0 0 229.283 2.276 10 0 BEAERN COc1c(O)ccc2c3c(c(=O)oc21)CCCC3 ZINC000040421268 358235859 /nfs/dbraw/zinc/23/58/59/358235859.db2.gz LYZONZZZHMCKPP-UHFFFAOYSA-N 0 0 246.262 2.386 10 0 BEAERN C[C@H]1CCC(=O)N1Cc1ccc(F)cc1 ZINC000584613386 358277448 /nfs/dbraw/zinc/27/74/48/358277448.db2.gz HCLXRABHPFIGJP-VIFPVBQESA-N 0 0 207.248 2.337 10 0 BEAERN Cc1cccc(C[C@H](O)c2ccco2)n1 ZINC000584613779 358278051 /nfs/dbraw/zinc/27/80/51/358278051.db2.gz HSQWJWFOKGZJPV-NSHDSACASA-N 0 0 203.241 2.259 10 0 BEAERN CCOC(=O)[C@@H]1COc2c(C)ccc(C)c2O1 ZINC000584615021 358279305 /nfs/dbraw/zinc/27/93/05/358279305.db2.gz GIAXAMDJQMLOMZ-JTQLQIEISA-N 0 0 236.267 2.006 10 0 BEAERN CC(=O)Nc1cnc(OC2(C)CC2)cc1C ZINC000584591189 358249926 /nfs/dbraw/zinc/24/99/26/358249926.db2.gz OTISGJMMHGFUQA-UHFFFAOYSA-N 0 0 220.272 2.280 10 0 BEAERN COC[C@H](O)c1ccc(-n2cccc2)c(F)c1 ZINC000584595724 358253080 /nfs/dbraw/zinc/25/30/80/358253080.db2.gz HCEXAESRXVCINI-ZDUSSCGKSA-N 0 0 235.258 2.296 10 0 BEAERN C=Cc1cc(CCO)cc(C(=O)OCC)c1 ZINC000584597697 358255033 /nfs/dbraw/zinc/25/50/33/358255033.db2.gz FJAGETQSIFZSMP-UHFFFAOYSA-N 0 0 220.268 2.041 10 0 BEAERN CO/C=C/c1ccncc1Br ZINC000584631038 358255041 /nfs/dbraw/zinc/25/50/41/358255041.db2.gz MQPADSMNNCAYRR-HWKANZROSA-N 0 0 214.062 2.461 10 0 BEAERN COc1cccc([C@@]23C[C@@H](O)[C@@H](CCC2)C3=O)c1 ZINC000584599792 358256422 /nfs/dbraw/zinc/25/64/22/358256422.db2.gz OROWMLHBZSKBFJ-NFAWXSAZSA-N 0 0 246.306 2.067 10 0 BEAERN CCO[C@@H](O)[C@H]1[C@H](Oc2ccccc2)[C@H]1C ZINC000584601703 358258876 /nfs/dbraw/zinc/25/88/76/358258876.db2.gz AQJOHRNUQGRIQP-WKSBVSIWSA-N 0 0 222.284 2.055 10 0 BEAERN CCOP(=O)(Cc1cccc(=O)o1)OCC ZINC000584601864 358259361 /nfs/dbraw/zinc/25/93/61/358259361.db2.gz FHSIDLPQDGEKOJ-UHFFFAOYSA-N 0 0 246.199 2.406 10 0 BEAERN CCOC(=O)/C=C/C(F)(F)[C@@H](O)c1ccco1 ZINC000584602946 358261278 /nfs/dbraw/zinc/26/12/78/358261278.db2.gz GBJIYEWVSLWVHA-PORFMDCZSA-N 0 0 246.209 2.068 10 0 BEAERN CCOC(=O)[C@H](F)c1ccccc1C(C)=O ZINC000584603082 358261344 /nfs/dbraw/zinc/26/13/44/358261344.db2.gz SILPCUCCUHEVGK-LLVKDONJSA-N 0 0 224.231 2.463 10 0 BEAERN CCc1ccc(C[C@H](CC)NC=O)cc1OC ZINC000584604073 358263135 /nfs/dbraw/zinc/26/31/35/358263135.db2.gz KOIJTMAUUXRAQA-ZDUSSCGKSA-N 0 0 235.327 2.325 10 0 BEAERN COc1cccc(C[C@@H](C)NC=O)c1Cl ZINC000584604112 358263245 /nfs/dbraw/zinc/26/32/45/358263245.db2.gz NUNLSVYKFIBJHL-MRVPVSSYSA-N 0 0 227.691 2.026 10 0 BEAERN CC(C)OC(=O)C(=O)c1cc(F)cc(F)c1 ZINC000584606096 358265136 /nfs/dbraw/zinc/26/51/36/358265136.db2.gz BOESLLSRAPKHSI-UHFFFAOYSA-N 0 0 228.194 2.099 10 0 BEAERN CC(C)OC(=O)/C(=C/[N+](=O)[O-])c1ccccc1 ZINC000584606186 358265464 /nfs/dbraw/zinc/26/54/64/358265464.db2.gz KPDGQNPFTIFSPI-DHZHZOJOSA-N 0 0 235.239 2.256 10 0 BEAERN CC(C)OC(=O)C(=O)c1cccc(Cl)c1 ZINC000584606131 358265515 /nfs/dbraw/zinc/26/55/15/358265515.db2.gz FQZMQZHLYPZUCV-UHFFFAOYSA-N 0 0 226.659 2.474 10 0 BEAERN C[Si](C)(C)c1cccc(-n2ccnc2)c1 ZINC000584608764 358269148 /nfs/dbraw/zinc/26/91/48/358269148.db2.gz BWRCOJGGTICQQR-UHFFFAOYSA-N 0 0 216.360 2.418 10 0 BEAERN COc1ccc(F)c(/C=C/COC(C)=O)c1 ZINC000584609843 358271755 /nfs/dbraw/zinc/27/17/55/358271755.db2.gz DAAPMIHUELUCIM-ONEGZZNKSA-N 0 0 224.231 2.411 10 0 BEAERN CC1(C)OC(=O)C=C(/C=C/c2ccco2)O1 ZINC000584609989 358271848 /nfs/dbraw/zinc/27/18/48/358271848.db2.gz GGJOKHQNDXBSEC-AATRIKPKSA-N 0 0 220.224 2.486 10 0 BEAERN COC(=O)OC/C=C/c1ccc(C=O)cc1 ZINC000584609915 358272016 /nfs/dbraw/zinc/27/20/16/358272016.db2.gz QKAUOFZROGVTRI-NSCUHMNNSA-N 0 0 220.224 2.295 10 0 BEAERN CNc1ccc(F)cc1/C=C/C(=O)OC ZINC000584610235 358273211 /nfs/dbraw/zinc/27/32/11/358273211.db2.gz QHSBPORLUSIYAH-ZZXKWVIFSA-N 0 0 209.220 2.054 10 0 BEAERN C[C@@H](Cc1cccc2ccccc21)S(N)(=O)=O ZINC000584620816 358287938 /nfs/dbraw/zinc/28/79/38/358287938.db2.gz ZLBGZLXFEKHYIJ-JTQLQIEISA-N 0 0 249.335 2.059 10 0 BEAERN COc1ccc(C[C@@H](C)n2nccn2)cc1 ZINC000584621938 358290242 /nfs/dbraw/zinc/29/02/42/358290242.db2.gz ZRUHVPPWMDDRBD-SNVBAGLBSA-N 0 0 217.272 2.090 10 0 BEAERN Cn1ncc(CNc2ccccc2N)c1Cl ZINC000584624029 358291924 /nfs/dbraw/zinc/29/19/24/358291924.db2.gz SUIAZCJFAADGSB-UHFFFAOYSA-N 0 0 236.706 2.268 10 0 BEAERN COC(=O)C[C@]1(C)c2ccccc2NC1=S ZINC000584631530 358313273 /nfs/dbraw/zinc/31/32/73/358313273.db2.gz GZIQGBWRXHPKMY-GFCCVEGCSA-N 0 0 235.308 2.260 10 0 BEAERN COC(=O)C[C@@]1(C)c2ccccc2NC1=S ZINC000584631531 358313392 /nfs/dbraw/zinc/31/33/92/358313392.db2.gz GZIQGBWRXHPKMY-LBPRGKRZSA-N 0 0 235.308 2.260 10 0 BEAERN OCc1nc2ccc3ccc(O)cc3c2o1 ZINC000584625238 358294268 /nfs/dbraw/zinc/29/42/68/358294268.db2.gz MHFXNZFTKRTVJP-UHFFFAOYSA-N 0 0 215.208 2.179 10 0 BEAERN Cc1cnc(CO)cc1Cc1ccccc1 ZINC000584629431 358298438 /nfs/dbraw/zinc/29/84/38/358298438.db2.gz SPWRZVYNRPXMGV-UHFFFAOYSA-N 0 0 213.280 2.473 10 0 BEAERN Cc1cc(N2CSCCCSC2)n[nH]1 ZINC000584629623 358299040 /nfs/dbraw/zinc/29/90/40/358299040.db2.gz LULPEHWZUQZBIH-UHFFFAOYSA-N 0 0 229.374 2.310 10 0 BEAERN COc1ccc2c(c1)[C@@H](C(F)F)CO2 ZINC000584629631 358299044 /nfs/dbraw/zinc/29/90/44/358299044.db2.gz LVRBHTMNFYNWNB-QMMMGPOBSA-N 0 0 200.184 2.436 10 0 BEAERN COC(=O)[C@](O)(c1cccs1)c1ccccc1 ZINC000584630216 358299438 /nfs/dbraw/zinc/29/94/38/358299438.db2.gz PBSMZOXKTBCMHL-CYBMUJFWSA-N 0 0 248.303 2.157 10 0 BEAERN O=C1CC[C@@H]([C@@H]2CCc3ccccc3C2)N1 ZINC000584630290 358299664 /nfs/dbraw/zinc/29/96/64/358299664.db2.gz XENQLKWKCQKOLP-OLZOCXBDSA-N 0 0 215.296 2.070 10 0 BEAERN CCN(CCCOC)C(=O)OC(C)(C)C ZINC000584647439 358301472 /nfs/dbraw/zinc/30/14/72/358301472.db2.gz IABCHFQCUAQSED-UHFFFAOYSA-N 0 0 217.309 2.280 10 0 BEAERN Fc1cnccc1-n1cc(Br)cn1 ZINC000584647575 358302210 /nfs/dbraw/zinc/30/22/10/358302210.db2.gz WKCDRBPMYKUWMN-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN CC(C)O[C@@H]1C=CC(Br)=CN1 ZINC000584648350 358302936 /nfs/dbraw/zinc/30/29/36/358302936.db2.gz GOMUATREUIGZSY-MRVPVSSYSA-N 0 0 218.094 2.133 10 0 BEAERN C[S@](=N)(=O)CCCOCc1ccccc1 ZINC000584649668 358304345 /nfs/dbraw/zinc/30/43/45/358304345.db2.gz HOIWWVVHNJSDLB-HNNXBMFYSA-N 0 0 227.329 2.270 10 0 BEAERN O=C1OCCC12C1CC3CC(C1)CC2C3 ZINC000584650600 358305043 /nfs/dbraw/zinc/30/50/43/358305043.db2.gz ZXOUFXDZTKEBHJ-UHFFFAOYSA-N 0 0 206.285 2.376 10 0 BEAERN CC(=O)[C@H]1C[C@]12Cc1ccccc1C2=O ZINC000584651192 358306385 /nfs/dbraw/zinc/30/63/85/358306385.db2.gz WMDQLOOUSBNWTK-DGCLKSJQSA-N 0 0 200.237 2.021 10 0 BEAERN CN1C(=O)C[C@]2(CC[C@@H]3CCCC[C@@H]3C2)C1=O ZINC000584652241 358307043 /nfs/dbraw/zinc/30/70/43/358307043.db2.gz BDPFPWDAJLJNSE-MISXGVKJSA-N 0 0 235.327 2.352 10 0 BEAERN Cc1cccc(CO[S@](=O)C(F)(F)F)n1 ZINC000584652346 358307692 /nfs/dbraw/zinc/30/76/92/358307692.db2.gz PGOAORZZALKEIW-HNNXBMFYSA-N 0 0 239.218 2.090 10 0 BEAERN ClC1=C(Cl)O[C@]2(Cl)O[C@]2(Cl)O1 ZINC000584657148 358308527 /nfs/dbraw/zinc/30/85/27/358308527.db2.gz VAEAAHMBOOKPNG-ZXZARUISSA-N 0 0 237.853 2.453 10 0 BEAERN CCO[P@@](=O)(CC)O[C@@H](O)c1ccccn1 ZINC000584661147 358311881 /nfs/dbraw/zinc/31/18/81/358311881.db2.gz LIWIUZPDCAISKE-HWPZZCPQSA-N 0 0 245.215 2.339 10 0 BEAERN CCO[P@](=O)(CC)O[C@H](O)c1ccccn1 ZINC000584661149 358311886 /nfs/dbraw/zinc/31/18/86/358311886.db2.gz LIWIUZPDCAISKE-MGPLVRAMSA-N 0 0 245.215 2.339 10 0 BEAERN CCO[P@@](=O)(CC)O[C@H](O)c1ccccn1 ZINC000584661150 358311924 /nfs/dbraw/zinc/31/19/24/358311924.db2.gz LIWIUZPDCAISKE-QFYYESIMSA-N 0 0 245.215 2.339 10 0 BEAERN O=C1CC[C@@]2(CCC[C@@H]2O)N1Cc1ccccc1 ZINC000584616605 358281559 /nfs/dbraw/zinc/28/15/59/358281559.db2.gz IYJNBFHLPHVSPZ-DZGCQCFKSA-N 0 0 245.322 2.093 10 0 BEAERN O=C([O-])[C@@H]1CCC2=C(C1)[NH2+][C@@H]1CC=C(F)C=C21 ZINC000584617271 358282265 /nfs/dbraw/zinc/28/22/65/358282265.db2.gz PFUPFRUWNMLWDH-RDDDGLTNSA-N 0 0 235.258 2.281 10 0 BEAERN NC(=O)[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000584631234 358282910 /nfs/dbraw/zinc/28/29/10/358282910.db2.gz FBPRJQKFAOGPJJ-LLVKDONJSA-N 0 0 219.259 2.495 10 0 BEAERN COC(=O)C[C@]1(C)CC(=O)c2ccc(OC)cc21 ZINC000584618179 358284270 /nfs/dbraw/zinc/28/42/70/358284270.db2.gz HBNZYNJOHKRRCU-AWEZNQCLSA-N 0 0 248.278 2.102 10 0 BEAERN CCC(=O)[C@@](C)(Cl)C(=O)OC(C)(C)C ZINC000584643557 358328496 /nfs/dbraw/zinc/32/84/96/358328496.db2.gz CJUZCVORBPEYKS-SNVBAGLBSA-N 0 0 220.696 2.305 10 0 BEAERN CC(C)(C)OC(=O)n1cnc2cccnc21 ZINC000584645080 358330223 /nfs/dbraw/zinc/33/02/23/358330223.db2.gz PUKCZOOVAOLCDL-UHFFFAOYSA-N 0 0 219.244 2.215 10 0 BEAERN COCOc1ccc(C=O)c(O)c1-c1ccco1 ZINC000584646272 358331194 /nfs/dbraw/zinc/33/11/94/358331194.db2.gz WMAAFGDNBXCISD-UHFFFAOYSA-N 0 0 248.234 2.447 10 0 BEAERN CC(C)SCNC(=O)NCSC(C)C ZINC000584647321 358332086 /nfs/dbraw/zinc/33/20/86/358332086.db2.gz CLWYKCVAQMPWFE-UHFFFAOYSA-N 0 0 236.406 2.484 10 0 BEAERN NC(=O)c1ccc(/C=C\c2ccccc2)nc1 ZINC000584632227 358314751 /nfs/dbraw/zinc/31/47/51/358314751.db2.gz GXNAMTNSCJMDIS-VURMDHGXSA-N 0 0 224.263 2.351 10 0 BEAERN C/C=C/CNC(=O)c1cc(C)c(CCC)[nH]c1=O ZINC000584634115 358318207 /nfs/dbraw/zinc/31/82/07/358318207.db2.gz XICHXRIOZPLXBV-GQCTYLIASA-N 0 0 248.326 2.354 10 0 BEAERN CC(C)(C)N1COc2ccccc2C1=O ZINC000584635367 358319261 /nfs/dbraw/zinc/31/92/61/358319261.db2.gz WFBRDWGCSJLODE-UHFFFAOYSA-N 0 0 205.257 2.277 10 0 BEAERN Nc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000584635128 358319484 /nfs/dbraw/zinc/31/94/84/358319484.db2.gz VQMKOHDKTZRSIO-CYBMUJFWSA-N 0 0 239.278 2.123 10 0 BEAERN O=C1N(C2CC2)C(=O)C23CC=CCC12CC=CC3 ZINC000584635676 358319906 /nfs/dbraw/zinc/31/99/06/358319906.db2.gz UHCVTWULWUPJHI-UHFFFAOYSA-N 0 0 243.306 2.190 10 0 BEAERN Clc1ncnc2c1ccn2[C@@H]1CCCO1 ZINC000584635934 358319908 /nfs/dbraw/zinc/31/99/08/358319908.db2.gz RIZFBRGLVSXRSH-QMMMGPOBSA-N 0 0 223.663 2.394 10 0 BEAERN CCO[P@@]1(=O)C=COc2ccccc21 ZINC000584635835 358320059 /nfs/dbraw/zinc/32/00/59/358320059.db2.gz CAIHHWQVFNJUJX-AWEZNQCLSA-N 0 0 210.169 2.490 10 0 BEAERN CC1(CCOc2ccc(C=O)cc2)N=N1 ZINC000584635737 358320133 /nfs/dbraw/zinc/32/01/33/358320133.db2.gz MCQUFXBJZAUELR-UHFFFAOYSA-N 0 0 204.229 2.450 10 0 BEAERN CC[C@@H]1C[C@H](O)Oc2c(C)c(O)ccc21 ZINC000584635935 358320154 /nfs/dbraw/zinc/32/01/54/358320154.db2.gz SRPILDQXFCZKRH-LDYMZIIASA-N 0 0 208.257 2.295 10 0 BEAERN Cc1ccc(N2C(=S)SC[C@H]2O)cc1 ZINC000584636241 358320693 /nfs/dbraw/zinc/32/06/93/358320693.db2.gz DZTULXRTVNVITN-SECBINFHSA-N 0 0 225.338 2.152 10 0 BEAERN NCC(F)(F)c1c(Cl)cncc1Cl ZINC000584636641 358321580 /nfs/dbraw/zinc/32/15/80/358321580.db2.gz ITYPBPIFSLLSQE-UHFFFAOYSA-N 0 0 227.041 2.439 10 0 BEAERN Cc1cc(C=O)c(F)c(Br)n1 ZINC000584636647 358321701 /nfs/dbraw/zinc/32/17/01/358321701.db2.gz JRZJFEQKCBDLMY-UHFFFAOYSA-N 0 0 218.025 2.104 10 0 BEAERN COc1c(F)c(F)ccc1N1CCC(=O)CC1 ZINC000584636980 358322223 /nfs/dbraw/zinc/32/22/23/358322223.db2.gz PMKRKYFYQWYMTC-UHFFFAOYSA-N 0 0 241.237 2.143 10 0 BEAERN OCc1nccc2c1C[C@@H](CC1CC1)C2 ZINC000584638063 358323430 /nfs/dbraw/zinc/32/34/30/358323430.db2.gz LLIPNYSBFMRCCO-JTQLQIEISA-N 0 0 203.285 2.089 10 0 BEAERN CC(C)CCN1C[C@@H](CO)O[C@@H]1c1ccccc1 ZINC000584638469 358324065 /nfs/dbraw/zinc/32/40/65/358324065.db2.gz ACUIXYNWTNRCGI-LSDHHAIUSA-N 0 0 249.354 2.424 10 0 BEAERN COc1ccccc1C(=O)CCCCO ZINC000584638654 358324510 /nfs/dbraw/zinc/32/45/10/358324510.db2.gz KCAXIUOYISJNEF-UHFFFAOYSA-N 0 0 208.257 2.041 10 0 BEAERN Clc1nn2cnnc2cc1-c1ccccc1 ZINC000584639715 358325778 /nfs/dbraw/zinc/32/57/78/358325778.db2.gz ZXXGHCSKCCZKKO-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN c1cc2c3c(c1)[C@H](C1CC1)CCN3CC[NH2+]C2 ZINC000584640341 358326124 /nfs/dbraw/zinc/32/61/24/358326124.db2.gz YPASNLLLQIMLSM-ZDUSSCGKSA-N 0 0 228.339 2.494 10 0 BEAERN COc1cc(C)c2c(c1)OC(C)(C)OC2=O ZINC000584640396 358326491 /nfs/dbraw/zinc/32/64/91/358326491.db2.gz ZZKQUYMXDCSLGC-UHFFFAOYSA-N 0 0 222.240 2.289 10 0 BEAERN CC[C@@H](C(=O)OC)N1CCC[C@@H]1c1ccco1 ZINC000173653030 134275854 /nfs/dbraw/zinc/27/58/54/134275854.db2.gz ODHVFZBZEREQRT-WDEREUQCSA-N 0 0 237.299 2.368 10 0 BEAERN Cc1noc(C)c1CN[C@H](C)c1nccnc1C ZINC000219111444 134274739 /nfs/dbraw/zinc/27/47/39/134274739.db2.gz RHOKUFMTWJHNEO-SNVBAGLBSA-N 0 0 246.314 2.241 10 0 BEAERN NC(=O)c1ccc(F)c(N[C@@H]2C[C@@H]3CC=C[C@H]23)c1 ZINC000037293397 181297104 /nfs/dbraw/zinc/29/71/04/181297104.db2.gz AKHBMBWOCZRKID-PTOFAABTSA-N 0 0 246.285 2.301 10 0 BEAERN CCc1cc(N[C@](C)(CC)CCO)nc(C)n1 ZINC000227866871 358364439 /nfs/dbraw/zinc/36/44/39/358364439.db2.gz IDYDJPSBWUVFPM-CYBMUJFWSA-N 0 0 237.347 2.310 10 0 BEAERN COc1cc(OC)nc(NC[C@H](C)C(C)C)n1 ZINC000135004407 325388184 /nfs/dbraw/zinc/38/81/84/325388184.db2.gz OIBMYSKZAVQNTM-VIFPVBQESA-N 0 0 239.319 2.198 10 0 BEAERN O=c1[nH]c2ccc(Cl)cc2nc1Cl ZINC000231418679 358419660 /nfs/dbraw/zinc/41/96/60/358419660.db2.gz BZMOEJHWQBJRIE-UHFFFAOYSA-N 0 0 215.039 2.230 10 0 BEAERN CC(C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000027692555 358441258 /nfs/dbraw/zinc/44/12/58/358441258.db2.gz NVZGFLBDSCUCDG-SECBINFHSA-N 0 0 235.283 2.249 10 0 BEAERN O=C1C[C@H](c2cccc(Cl)c2)CCN1 ZINC000210725787 358550873 /nfs/dbraw/zinc/55/08/73/358550873.db2.gz XHIDDNZOPAVBBZ-SECBINFHSA-N 0 0 209.676 2.334 10 0 BEAERN Cc1ccc2c3n[nH]c(=O)c-3c[nH]c2c1C ZINC000045928629 358567573 /nfs/dbraw/zinc/56/75/73/358567573.db2.gz CIPCHYZHGZAANP-UHFFFAOYSA-N 0 0 213.240 2.434 10 0 BEAERN C[C@H]1CCC[N@H+](C2CCCC2)[C@H]1C(=O)[O-] ZINC000300227888 358570364 /nfs/dbraw/zinc/57/03/64/358570364.db2.gz HLCSYCPBHPNBHN-GXSJLCMTSA-N 0 0 211.305 2.114 10 0 BEAERN CC(C)CN(C(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000128650304 358578801 /nfs/dbraw/zinc/57/88/01/358578801.db2.gz RQSVILBDZOKEHZ-ZYHUDNBSSA-N 0 0 225.332 2.201 10 0 BEAERN CCOC(=O)[C@H](F)c1ccc(F)cc1 ZINC000086242860 358527374 /nfs/dbraw/zinc/52/73/74/358527374.db2.gz MXRQTJKYHFZPBG-SECBINFHSA-N 0 0 200.184 2.399 10 0 BEAERN CCCn1cc(CN2CCOC3(CCC3)C2)cn1 ZINC000130514110 358629866 /nfs/dbraw/zinc/62/98/66/358629866.db2.gz XADVGNRZVAJNOO-UHFFFAOYSA-N 0 0 249.358 2.048 10 0 BEAERN CCNc1cc(Cl)nc(Cl)c1N ZINC000169090425 358633384 /nfs/dbraw/zinc/63/33/84/358633384.db2.gz XGNFOAKLJSUACG-UHFFFAOYSA-N 0 0 206.076 2.402 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)c(O)c1 ZINC000130637768 358638115 /nfs/dbraw/zinc/63/81/15/358638115.db2.gz WLUNDRUAEFBOJG-BXKDBHETSA-N 0 0 235.283 2.207 10 0 BEAERN C[C@H]1CN(C(=O)CCC2CCC2)C[C@H](C)O1 ZINC000175672187 134286910 /nfs/dbraw/zinc/28/69/10/134286910.db2.gz GABBELPZVPGLLY-QWRGUYRKSA-N 0 0 225.332 2.203 10 0 BEAERN CN1CC[C@H](CNC(=O)C2CC2)c2ccccc21 ZINC000048749842 358653200 /nfs/dbraw/zinc/65/32/00/358653200.db2.gz BFZMHQJQVYAQIJ-GFCCVEGCSA-N 0 0 244.338 2.136 10 0 BEAERN CCC[C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000131129647 358661868 /nfs/dbraw/zinc/66/18/68/358661868.db2.gz HWRFOCXDLWWRJV-GARJFASQSA-N 0 0 213.321 2.058 10 0 BEAERN CCCCCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000131213681 358666136 /nfs/dbraw/zinc/66/61/36/358666136.db2.gz PCEQBHAYINBYRQ-QWRGUYRKSA-N 0 0 213.321 2.203 10 0 BEAERN Cc1nc2cc(NC(=O)COC(C)C)ccc2o1 ZINC000049082797 358669414 /nfs/dbraw/zinc/66/94/14/358669414.db2.gz CIFWUBPLTQJZRJ-UHFFFAOYSA-N 0 0 248.282 2.500 10 0 BEAERN COC(OC)c1ccnn1-c1ccccc1 ZINC000040546697 358671729 /nfs/dbraw/zinc/67/17/29/358671729.db2.gz VQZISWBBQBMWGT-UHFFFAOYSA-N 0 0 218.256 2.164 10 0 BEAERN C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCO1 ZINC000175522770 134287566 /nfs/dbraw/zinc/28/75/66/134287566.db2.gz VHMYQHOAHTZMIV-ZYHUDNBSSA-N 0 0 225.332 2.250 10 0 BEAERN CNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000049370246 358684690 /nfs/dbraw/zinc/68/46/90/358684690.db2.gz KLVKISFYNHISJG-GFCCVEGCSA-N 0 0 236.290 2.172 10 0 BEAERN CSCCCC(=O)NC[C@@H]1CCCS1 ZINC000131731336 358692250 /nfs/dbraw/zinc/69/22/50/358692250.db2.gz ZEQBYNNGSMJJDM-VIFPVBQESA-N 0 0 233.402 2.141 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)C3(C)CC3)CCO2)o1 ZINC000133832997 358770561 /nfs/dbraw/zinc/77/05/61/358770561.db2.gz PXPZVRDDOQHNMH-LBPRGKRZSA-N 0 0 249.310 2.288 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)C(C)C)CCO2)o1 ZINC000133812062 358770663 /nfs/dbraw/zinc/77/06/63/358770663.db2.gz RIGPEHJOEPQODO-LBPRGKRZSA-N 0 0 237.299 2.144 10 0 BEAERN Fc1c(C(F)(F)F)nc2ccccn12 ZINC000214044512 358753606 /nfs/dbraw/zinc/75/36/06/358753606.db2.gz HBPCGXRKOBGWKS-UHFFFAOYSA-N 0 0 204.126 2.492 10 0 BEAERN Cc1ccc([C@H]2CN(C(=O)C3CCC3)CCO2)o1 ZINC000133438257 358754744 /nfs/dbraw/zinc/75/47/44/358754744.db2.gz VESVRNYNKRKAFG-CYBMUJFWSA-N 0 0 249.310 2.288 10 0 BEAERN CSCCCCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000133548371 358758820 /nfs/dbraw/zinc/75/88/20/358758820.db2.gz JMILSYZFHVOAKX-WDEREUQCSA-N 0 0 245.388 2.203 10 0 BEAERN CC1CC(Nc2cc(Br)ncn2)C1 ZINC000160811989 358762266 /nfs/dbraw/zinc/76/22/66/358762266.db2.gz ASSLUEWJRMVIJJ-UHFFFAOYSA-N 0 0 242.120 2.450 10 0 BEAERN CC[C@@H](C)C[S@@](=O)Cc1nccn1CC ZINC000133723054 358766820 /nfs/dbraw/zinc/76/68/20/358766820.db2.gz SFNLSPLKACNRMV-BMIGLBTASA-N 0 0 228.361 2.198 10 0 BEAERN O=C(C[C@H]1C=CCC1)NCc1cscn1 ZINC000050406850 358728974 /nfs/dbraw/zinc/72/89/74/358728974.db2.gz HOIOZYFPWVUGAL-VIFPVBQESA-N 0 0 222.313 2.116 10 0 BEAERN CC(C)(C)CC(=O)NCc1cscn1 ZINC000050407667 358729111 /nfs/dbraw/zinc/72/91/11/358729111.db2.gz PFNVPVDRANGXEU-UHFFFAOYSA-N 0 0 212.318 2.196 10 0 BEAERN Nc1nn(CC=C(Cl)Cl)cc1Cl ZINC000403356092 358733609 /nfs/dbraw/zinc/73/36/09/358733609.db2.gz GOUKXTNBEHSTFT-UHFFFAOYSA-N 0 0 226.494 2.268 10 0 BEAERN CCc1cc(C(=O)Nc2cnn(C)c2)oc1CC ZINC000134933319 358812092 /nfs/dbraw/zinc/81/20/92/358812092.db2.gz BSVFLQKXFFJHPJ-UHFFFAOYSA-N 0 0 247.298 2.390 10 0 BEAERN CC[C@H](N[C@@H]1C[C@@H]1c1ccccc1)C(=O)OC ZINC000134973278 358813669 /nfs/dbraw/zinc/81/36/69/358813669.db2.gz OTOJEOINIMJWSJ-FRRDWIJNSA-N 0 0 233.311 2.084 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)CCO2)o1 ZINC000133958157 358774008 /nfs/dbraw/zinc/77/40/08/358774008.db2.gz XQSTWUZGQYXJCA-GAFUQQFSSA-N 0 0 249.310 2.144 10 0 BEAERN CC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000052300374 358778034 /nfs/dbraw/zinc/77/80/34/358778034.db2.gz WFEAGBHKINISIB-UFBFGSQYSA-N 0 0 232.283 2.419 10 0 BEAERN COC[C@H](C)C(=O)N1CCCC[C@@H](SC)C1 ZINC000134147649 358781647 /nfs/dbraw/zinc/78/16/47/358781647.db2.gz YAHLYZCCZDEJCF-WDEREUQCSA-N 0 0 245.388 2.013 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCC[C@H](SC)C1 ZINC000134147423 358781737 /nfs/dbraw/zinc/78/17/37/358781737.db2.gz YAHLYZCCZDEJCF-MNOVXSKESA-N 0 0 245.388 2.013 10 0 BEAERN CC(C)CCC(=O)N1CCC[C@H]1CCCO ZINC000052757988 358791397 /nfs/dbraw/zinc/79/13/97/358791397.db2.gz KYEPNLCZWSEMBJ-LBPRGKRZSA-N 0 0 227.348 2.186 10 0 BEAERN CC(C)c1cc(N[C@H]2CCO[C@H]2C)ncn1 ZINC000134574504 358796649 /nfs/dbraw/zinc/79/66/49/358796649.db2.gz UMMYASCBQYUAHI-UWVGGRQHSA-N 0 0 221.304 2.189 10 0 BEAERN Cn1c(CN2CCC3(CCC3)C2)nnc1C1CC1 ZINC000176925028 134294980 /nfs/dbraw/zinc/29/49/80/134294980.db2.gz MRRMQHVOTYOLGR-UHFFFAOYSA-N 0 0 246.358 2.069 10 0 BEAERN CC(=O)c1ccc(OCc2ccn(C)n2)c(F)c1 ZINC000135666130 358847733 /nfs/dbraw/zinc/84/77/33/358847733.db2.gz QCEWWXFINFDPAA-UHFFFAOYSA-N 0 0 248.257 2.341 10 0 BEAERN COC(=O)[C@@H](C)N1CC=C(c2ccccc2)CC1 ZINC000054146008 358855485 /nfs/dbraw/zinc/85/54/85/358855485.db2.gz RLGYTMALLMQITJ-GFCCVEGCSA-N 0 0 245.322 2.337 10 0 BEAERN COC(=O)[C@H](C)N1CC=C(c2ccccc2)CC1 ZINC000054146007 358855550 /nfs/dbraw/zinc/85/55/50/358855550.db2.gz RLGYTMALLMQITJ-LBPRGKRZSA-N 0 0 245.322 2.337 10 0 BEAERN COCCCCNC(=O)NC1CCCCC1 ZINC000059034966 358916916 /nfs/dbraw/zinc/91/69/16/358916916.db2.gz QLDPWPYOWJTNFH-UHFFFAOYSA-N 0 0 228.336 2.045 10 0 BEAERN C[C@H](CO)[C@H](C)Nc1csc(Cl)n1 ZINC000306151936 358918027 /nfs/dbraw/zinc/91/80/27/358918027.db2.gz HWUNTKASQWWJKL-RITPCOANSA-N 0 0 220.725 2.225 10 0 BEAERN CSc1ccc(CNC(=O)C2CC2)cc1 ZINC000055746928 358892048 /nfs/dbraw/zinc/89/20/48/358892048.db2.gz NXEJRZDHWSHRIQ-UHFFFAOYSA-N 0 0 221.325 2.435 10 0 BEAERN C[C@@H](CCc1ccccc1)SC[C@@H](O)CO ZINC000177448969 134298176 /nfs/dbraw/zinc/29/81/76/134298176.db2.gz RLFZQSMJALCEGE-AAEUAGOBSA-N 0 0 240.368 2.094 10 0 BEAERN CNC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000058482993 358911094 /nfs/dbraw/zinc/91/10/94/358911094.db2.gz UZGDMMDVPCGDAW-LBPRGKRZSA-N 0 0 248.326 2.042 10 0 BEAERN C[C@@H]1OCC[C@@H]1S[C@H]1CCC(=O)C1 ZINC000300337302 358963268 /nfs/dbraw/zinc/96/32/68/358963268.db2.gz MVUJODDSPXVLEJ-HGNGGELXSA-N 0 0 200.303 2.019 10 0 BEAERN O=C(c1ccc(F)c(Br)c1)N1CC1 ZINC000306164367 358973230 /nfs/dbraw/zinc/97/32/30/358973230.db2.gz IEBWSGTTWQEJTR-UHFFFAOYSA-N 0 0 244.063 2.044 10 0 BEAERN OCCCCCSC1CCOCC1 ZINC000062055034 358930861 /nfs/dbraw/zinc/93/08/61/358930861.db2.gz XLWWJFQCCUCUSD-UHFFFAOYSA-N 0 0 204.335 2.061 10 0 BEAERN Cc1cc([C@@H](O)C(C)(F)F)cnc1C ZINC000306156754 358945995 /nfs/dbraw/zinc/94/59/95/358945995.db2.gz CHBCGDQPAFOKHZ-SECBINFHSA-N 0 0 201.216 2.387 10 0 BEAERN CNc1nc(CSc2ncc[nH]2)cs1 ZINC000306156952 358947951 /nfs/dbraw/zinc/94/79/51/358947951.db2.gz CUYSOJLWJUFJOO-UHFFFAOYSA-N 0 0 226.330 2.200 10 0 BEAERN Cn1ncc(Cl)c1C(=O)C(C)(C)F ZINC000306171130 358980410 /nfs/dbraw/zinc/98/04/10/358980410.db2.gz ZFWHRJVKBGCBCW-UHFFFAOYSA-N 0 0 204.632 2.004 10 0 BEAERN Clc1ccc(CNc2ncns2)o1 ZINC000306171332 358981689 /nfs/dbraw/zinc/98/16/89/358981689.db2.gz JYEOSFLCGGBGDQ-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN Cc1ncc(Br)c(NC2CC2)n1 ZINC000306174257 358982641 /nfs/dbraw/zinc/98/26/41/358982641.db2.gz MACRAHZWIGFUFJ-UHFFFAOYSA-N 0 0 228.093 2.122 10 0 BEAERN Cc1ccc(Cl)c([C@H](O)[C@@H](C)O)c1 ZINC000306175697 358982708 /nfs/dbraw/zinc/98/27/08/358982708.db2.gz NDEJINCQMTZJDX-GMSGAONNSA-N 0 0 200.665 2.063 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCCC2CCCC2)O1 ZINC000178013474 134302569 /nfs/dbraw/zinc/30/25/69/134302569.db2.gz MZJBFUGPKSBRPN-JQWIXIFHSA-N 0 0 225.332 2.250 10 0 BEAERN COC[C@H](O)c1ccc(Br)cc1 ZINC000086519153 359006905 /nfs/dbraw/zinc/00/69/05/359006905.db2.gz ONZWMBGIRRUIRZ-VIFPVBQESA-N 0 0 231.089 2.129 10 0 BEAERN COC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000086519504 359006966 /nfs/dbraw/zinc/00/69/66/359006966.db2.gz FDWPCASUEHITRO-SECBINFHSA-N 0 0 236.189 2.265 10 0 BEAERN C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)[C@H]1CCCO1 ZINC000246444112 359088702 /nfs/dbraw/zinc/08/87/02/359088702.db2.gz DWGYUVVNEVEWRJ-FVCCEPFGSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@H](CCO)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246468310 359108365 /nfs/dbraw/zinc/10/83/65/359108365.db2.gz PUZWZAGWRBQUQN-WXHSDQCUSA-N 0 0 239.359 2.090 10 0 BEAERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](C)COC ZINC000247091922 359193960 /nfs/dbraw/zinc/19/39/60/359193960.db2.gz VUHGLKCIVZKKNP-GMTAPVOTSA-N 0 0 245.388 2.059 10 0 BEAERN CC(=O)CCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000246737636 359159625 /nfs/dbraw/zinc/15/96/25/359159625.db2.gz WJILWFNXMSEQHH-UKRRQHHQSA-N 0 0 247.338 2.428 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCc2ccccc21 ZINC000247502589 359228046 /nfs/dbraw/zinc/22/80/46/359228046.db2.gz NVPFIALYRSQLEE-QKCSRTOESA-N 0 0 244.338 2.424 10 0 BEAERN C[C@H](NC(=O)N(C)C1CCCC1)[C@H]1CCCO1 ZINC000172310079 359200654 /nfs/dbraw/zinc/20/06/54/359200654.db2.gz XSRUZNVBMULECX-CMPLNLGQSA-N 0 0 240.347 2.138 10 0 BEAERN C[C@]1(CNc2cnns2)CCCS1 ZINC000306200774 359289725 /nfs/dbraw/zinc/28/97/25/359289725.db2.gz VSOFTEIPGLUIGJ-MRVPVSSYSA-N 0 0 215.347 2.236 10 0 BEAERN CCc1ccc([C@@H](N)c2ccsn2)o1 ZINC000306201524 359291214 /nfs/dbraw/zinc/29/12/14/359291214.db2.gz LABALGZDERZVTJ-JTQLQIEISA-N 0 0 208.286 2.347 10 0 BEAERN Cc1nc(C[C@H](O)C(C)(F)F)cs1 ZINC000306207163 359299162 /nfs/dbraw/zinc/29/91/62/359299162.db2.gz QREDOZVPKUUSDW-ZETCQYMHSA-N 0 0 207.245 2.010 10 0 BEAERN CCc1nc([C@@H](O)c2ccc[nH]2)cs1 ZINC000306211843 359305461 /nfs/dbraw/zinc/30/54/61/359305461.db2.gz UYTMROZARUUJDA-JTQLQIEISA-N 0 0 208.286 2.115 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CSc1ncns1 ZINC000306212075 359306668 /nfs/dbraw/zinc/30/66/68/359306668.db2.gz VIQAJHVPYPRHGW-HTQZYQBOSA-N 0 0 230.358 2.181 10 0 BEAERN CCc1cc(Cl)nc(-c2cn[nH]c2)n1 ZINC000306212663 359308681 /nfs/dbraw/zinc/30/86/81/359308681.db2.gz VXJIXJVUSIEXDK-UHFFFAOYSA-N 0 0 208.652 2.083 10 0 BEAERN CCC1(CC)C(=O)N[C@H]1[C@@H]1CCSC1 ZINC000306214557 359316258 /nfs/dbraw/zinc/31/62/58/359316258.db2.gz ZANAKRDKSLYSGO-BDAKNGLRSA-N 0 0 213.346 2.044 10 0 BEAERN C[C@@H]1SCCS[C@H]1c1nccc(C=O)n1 ZINC000228183047 359361968 /nfs/dbraw/zinc/36/19/68/359361968.db2.gz UWFGQNZZAZKDDB-IONNQARKSA-N 0 0 240.353 2.199 10 0 BEAERN C[C@H]1SCCS[C@H]1c1nccc(C=O)n1 ZINC000228183058 359362135 /nfs/dbraw/zinc/36/21/35/359362135.db2.gz UWFGQNZZAZKDDB-VXNVDRBHSA-N 0 0 240.353 2.199 10 0 BEAERN CC[C@H](CO)Nc1cccnc1Br ZINC000306216205 359322848 /nfs/dbraw/zinc/32/28/48/359322848.db2.gz BVVFZFCYXFZLMY-SSDOTTSWSA-N 0 0 245.120 2.027 10 0 BEAERN Clc1cc(N[C@@H]2CCCOCC2)cnn1 ZINC000306218377 359336172 /nfs/dbraw/zinc/33/61/72/359336172.db2.gz ROJPUMJLFQSYPB-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN CCSc1nc(N)nc2ccsc21 ZINC000306244300 359428271 /nfs/dbraw/zinc/42/82/71/359428271.db2.gz XXBZROIBPWYDGM-UHFFFAOYSA-N 0 0 211.315 2.386 10 0 BEAERN CC(C)[C@H](O)C[C@@]1(C)CCC[C@]1(C)O ZINC000306237311 359399313 /nfs/dbraw/zinc/39/93/13/359399313.db2.gz OPTRHHGCYSUPKG-UTUOFQBUSA-N 0 0 200.322 2.335 10 0 BEAERN Nc1cc(F)c(Br)cc1N1CCC1 ZINC000306238432 359400181 /nfs/dbraw/zinc/40/01/81/359400181.db2.gz ISTWMTGJKCVZQC-UHFFFAOYSA-N 0 0 245.095 2.381 10 0 BEAERN CC[C@@H](O)[C@H](O)c1cc(C)ccc1Cl ZINC000306250070 359449599 /nfs/dbraw/zinc/44/95/99/359449599.db2.gz XQDIBRUCEIMJFP-GHMZBOCLSA-N 0 0 214.692 2.453 10 0 BEAERN CC[C@H](O)[C@@H](O)c1cc(C)ccc1Cl ZINC000306250075 359449628 /nfs/dbraw/zinc/44/96/28/359449628.db2.gz XQDIBRUCEIMJFP-QWRGUYRKSA-N 0 0 214.692 2.453 10 0 BEAERN CC1(C)CSC[C@](O)(c2cscn2)C1 ZINC000306250739 359455740 /nfs/dbraw/zinc/45/57/40/359455740.db2.gz ZDCFZONPJHPROU-JTQLQIEISA-N 0 0 229.370 2.494 10 0 BEAERN CC1(C[C@@]2(C(=O)[O-])CC[NH2+]C2)CCCC1 ZINC000306253324 359462419 /nfs/dbraw/zinc/46/24/19/359462419.db2.gz SHVQORMGBVOIHX-LBPRGKRZSA-N 0 0 211.305 2.021 10 0 BEAERN OC[C@H]1C[C@@H]1Oc1ccccc1Br ZINC000306258255 359474115 /nfs/dbraw/zinc/47/41/15/359474115.db2.gz ZTNNJUSVJZQIBJ-XCBNKYQSSA-N 0 0 243.100 2.209 10 0 BEAERN CCSc1nnc(N)n1Cc1ccc(C)cc1 ZINC000001922530 359495940 /nfs/dbraw/zinc/49/59/40/359495940.db2.gz UOUZCPOOJZRKBC-UHFFFAOYSA-N 0 0 248.355 2.329 10 0 BEAERN C[C@H](NN)c1c(Cl)ccc(F)c1F ZINC000306286974 359519189 /nfs/dbraw/zinc/51/91/89/359519189.db2.gz YDNRRKKRDZTMJA-BYPYZUCNSA-N 0 0 206.623 2.143 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nc(Cl)c(CO)s1 ZINC000306288893 359523045 /nfs/dbraw/zinc/52/30/45/359523045.db2.gz NDJCKXORNUUPNC-UHNVWZDZSA-N 0 0 218.709 2.109 10 0 BEAERN Nc1cnn(Cc2csc(Cl)c2)c1 ZINC000306265830 359489237 /nfs/dbraw/zinc/48/92/37/359489237.db2.gz FFQPJSIMNJMKSI-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN C[C@]1(Nc2ncc(Cl)s2)CCOC1 ZINC000306292526 359529506 /nfs/dbraw/zinc/52/95/06/359529506.db2.gz SLELPCQKNQODQE-QMMMGPOBSA-N 0 0 218.709 2.387 10 0 BEAERN OC[C@@]1(Cc2cccs2)CCCCO1 ZINC000306306406 359588283 /nfs/dbraw/zinc/58/82/83/359588283.db2.gz JCWXZDOZKXFGHN-NSHDSACASA-N 0 0 212.314 2.222 10 0 BEAERN C[C@@]1(Cc2ccccc2)CC(=O)CCO1 ZINC000306323641 359608066 /nfs/dbraw/zinc/60/80/66/359608066.db2.gz MHQBVZDWXVFAHV-CYBMUJFWSA-N 0 0 204.269 2.367 10 0 BEAERN CSc1nc(Cl)cc(NCCF)n1 ZINC000306335598 359634853 /nfs/dbraw/zinc/63/48/53/359634853.db2.gz JXEADNBOJLVUHK-UHFFFAOYSA-N 0 0 221.688 2.233 10 0 BEAERN O=C1C[C@H]([NH+]2CCCCC2)CN1c1ccccc1 ZINC000006096787 359664589 /nfs/dbraw/zinc/66/45/89/359664589.db2.gz HXYYSKMOHXXOAW-AWEZNQCLSA-N 0 0 244.338 2.278 10 0 BEAERN C[C@@](O)(C[C@H]1CCCC1=O)C(F)(F)F ZINC000306358000 359683978 /nfs/dbraw/zinc/68/39/78/359683978.db2.gz XDLWIJLVWYMHLL-HTRCEHHLSA-N 0 0 210.195 2.059 10 0 BEAERN CO[C@@H](c1nc(Cl)n[nH]1)c1ccccc1 ZINC000160995454 359685455 /nfs/dbraw/zinc/68/54/55/359685455.db2.gz SXBQMOPOOUJNDA-MRVPVSSYSA-N 0 0 223.663 2.194 10 0 BEAERN S=C1N=NCN1Cc1ccsc1Cl ZINC000306400849 359783754 /nfs/dbraw/zinc/78/37/54/359783754.db2.gz OXNHUDKTIOHDDI-UHFFFAOYSA-N 0 0 231.733 2.330 10 0 BEAERN Cc1cc(F)c(F)c2c1OCC[C@@H]2O ZINC000306397542 359762070 /nfs/dbraw/zinc/76/20/70/359762070.db2.gz LCSBRAWKHRXZON-ZETCQYMHSA-N 0 0 200.184 2.089 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)[C@@H](C)C2)O1 ZINC000245920275 325533643 /nfs/dbraw/zinc/53/36/43/325533643.db2.gz NSCOMJKIGZCJAN-NNYUYHANSA-N 0 0 225.332 2.058 10 0 BEAERN CC(C)[C@@H]1CCCN1C1=NC(=O)CS1 ZINC000306429825 359883614 /nfs/dbraw/zinc/88/36/14/359883614.db2.gz PLEGWHZTENVYNK-QMMMGPOBSA-N 0 0 212.318 2.474 10 0 BEAERN CC1(C)CCN1Cc1cc(Br)no1 ZINC000306426326 359880553 /nfs/dbraw/zinc/88/05/53/359880553.db2.gz VCJUAYKUCXXOOV-UHFFFAOYSA-N 0 0 245.120 2.421 10 0 BEAERN Cc1ccc(N)c(N[C@H]2CCSC2)c1 ZINC000231344813 359858618 /nfs/dbraw/zinc/85/86/18/359858618.db2.gz POCCPDHGUVQBHQ-VIFPVBQESA-N 0 0 208.330 2.495 10 0 BEAERN Cc1ccnc(N[C@H]2CCC[C@H](O)C2)c1 ZINC000309140092 491145471 /nfs/dbraw/zinc/14/54/71/491145471.db2.gz GWORHMNUICEWQD-QWRGUYRKSA-N 0 0 206.289 2.105 10 0 BEAERN Cc1nsc(NC(=O)C2CC2)c1Cl ZINC000306433461 359940142 /nfs/dbraw/zinc/94/01/42/359940142.db2.gz WWBSYRYTABZKPT-UHFFFAOYSA-N 0 0 216.693 2.453 10 0 BEAERN Cc1ccnn1Cc1csc(Cl)n1 ZINC000306439204 359941521 /nfs/dbraw/zinc/94/15/21/359941521.db2.gz GXACAYLMRYFRQV-UHFFFAOYSA-N 0 0 213.693 2.350 10 0 BEAERN COc1ccc(N2CCC[C@H](C(C)=O)C2=O)cc1 ZINC000536956947 360007950 /nfs/dbraw/zinc/00/79/50/360007950.db2.gz AQISXGVPOJKKJV-CYBMUJFWSA-N 0 0 247.294 2.027 10 0 BEAERN Nc1csc(-c2ncccc2Cl)n1 ZINC000306442200 360011212 /nfs/dbraw/zinc/01/12/12/360011212.db2.gz WTYHHCJIEVSXPF-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000089973752 360050951 /nfs/dbraw/zinc/05/09/51/360050951.db2.gz MRLXSAVMXKNZTC-AAEUAGOBSA-N 0 0 239.359 2.306 10 0 BEAERN Nc1n[nH]cc1-c1cccc(Cl)c1F ZINC000169268007 360016375 /nfs/dbraw/zinc/01/63/75/360016375.db2.gz ZWTRFMCVYYHUJR-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN CNC(=O)[C@@H](C)SC1CCCCC1 ZINC000306451044 360035370 /nfs/dbraw/zinc/03/53/70/360035370.db2.gz ZSCPLULQARHANJ-MRVPVSSYSA-N 0 0 201.335 2.187 10 0 BEAERN O=C1CCO[C@@]2(CCCc3occc32)C1 ZINC000169279996 360046073 /nfs/dbraw/zinc/04/60/73/360046073.db2.gz OPHMRFRQIVXSNP-LBPRGKRZSA-N 0 0 206.241 2.191 10 0 BEAERN CN1C(=S)N=NC1c1csc(Cl)c1 ZINC000306440712 360005691 /nfs/dbraw/zinc/00/56/91/360005691.db2.gz KRILOHBDNMCXMR-UHFFFAOYSA-N 0 0 231.733 2.486 10 0 BEAERN Cc1ccc(C(=O)Cc2csnn2)cc1 ZINC000306472099 360099029 /nfs/dbraw/zinc/09/90/29/360099029.db2.gz SPCGVTXFIXJRNJ-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN C[C@H]1OCCN(CC(Cl)(Cl)Cl)[C@H]1C ZINC000306462308 360074406 /nfs/dbraw/zinc/07/44/06/360074406.db2.gz GWTYNBXKKXUJIC-NKWVEPMBSA-N 0 0 246.565 2.466 10 0 BEAERN COc1ccc2cc(Cl)oc(=O)c2c1 ZINC000035904758 360078922 /nfs/dbraw/zinc/07/89/22/360078922.db2.gz RHDWVCIUUUFWRS-UHFFFAOYSA-N 0 0 210.616 2.455 10 0 BEAERN C[C@H](CC(F)F)Nc1ccc(N)nc1 ZINC000306466019 360079776 /nfs/dbraw/zinc/07/97/76/360079776.db2.gz KETCOTJIDAOVHJ-ZCFIWIBFSA-N 0 0 201.220 2.119 10 0 BEAERN BrC1=CCC2=C1N=C1NCCC=C21 ZINC000237960541 360088011 /nfs/dbraw/zinc/08/80/11/360088011.db2.gz BVZVRHGNBNYHJE-UHFFFAOYSA-N 0 0 237.100 2.255 10 0 BEAERN CC[C@@H](Nc1cncc(C(=O)OC)n1)C(C)C ZINC000091417524 360114928 /nfs/dbraw/zinc/11/49/28/360114928.db2.gz LGUHACROEVHDLH-SECBINFHSA-N 0 0 237.303 2.110 10 0 BEAERN Cc1ccc(N[C@H](C)CC(F)F)nn1 ZINC000306478661 360127193 /nfs/dbraw/zinc/12/71/93/360127193.db2.gz ZMLRFFRWKQXRKD-SSDOTTSWSA-N 0 0 201.220 2.241 10 0 BEAERN C[C@@H]1CC[C@@H](Cn2ccc(Cl)n2)O1 ZINC000306490694 360206330 /nfs/dbraw/zinc/20/63/30/360206330.db2.gz VKGGJIZAFPXWPI-SFYZADRCSA-N 0 0 200.669 2.104 10 0 BEAERN CC[S@](=O)Cc1ccc(Cl)nc1C ZINC000306500544 360268784 /nfs/dbraw/zinc/26/87/84/360268784.db2.gz NZXNCKHOSKEPFD-ZDUSSCGKSA-N 0 0 217.721 2.312 10 0 BEAERN CC[S@@](=O)Cc1ccc(Cl)nc1C ZINC000306500543 360269286 /nfs/dbraw/zinc/26/92/86/360269286.db2.gz NZXNCKHOSKEPFD-CYBMUJFWSA-N 0 0 217.721 2.312 10 0 BEAERN NC(=O)c1ccc(OCC2CCCCC2)c(N)c1 ZINC000052146271 181300654 /nfs/dbraw/zinc/30/06/54/181300654.db2.gz YURMKGQLZLJFJG-UHFFFAOYSA-N 0 0 248.326 2.327 10 0 BEAERN CCC[S@](=O)Nc1cccc(Cl)n1 ZINC000306522466 360363630 /nfs/dbraw/zinc/36/36/30/360363630.db2.gz PZDMPJAAKLIUFX-ZDUSSCGKSA-N 0 0 218.709 2.221 10 0 BEAERN CC(C)[C@H](NN)c1coc(Br)c1 ZINC000306522907 360365148 /nfs/dbraw/zinc/36/51/48/360365148.db2.gz QTAHETWVLKXIPH-QMMMGPOBSA-N 0 0 233.109 2.203 10 0 BEAERN CC(Cl)(Cl)C(=O)N1CC[C@@](C)(F)C1 ZINC000306526850 360367009 /nfs/dbraw/zinc/36/70/09/360367009.db2.gz VVHAHJFZEATEAJ-SSDOTTSWSA-N 0 0 228.094 2.141 10 0 BEAERN C[C@H](CO)Nc1nc(Cl)ccc1Cl ZINC000306530518 360377950 /nfs/dbraw/zinc/37/79/50/360377950.db2.gz HAFKNQQHAMUPOQ-RXMQYKEDSA-N 0 0 221.087 2.181 10 0 BEAERN COc1cc(C(=O)c2occc2C)sn1 ZINC000306530429 360378291 /nfs/dbraw/zinc/37/82/91/360378291.db2.gz DLPCTNVRXZGARA-UHFFFAOYSA-N 0 0 223.253 2.284 10 0 BEAERN CSC[C@@H](O)c1c(F)cccc1F ZINC000069758986 360396192 /nfs/dbraw/zinc/39/61/92/360396192.db2.gz NQAPDXCSFNDADQ-MRVPVSSYSA-N 0 0 204.241 2.361 10 0 BEAERN N[C@@H](c1ccsn1)c1sccc1F ZINC000306563369 360440797 /nfs/dbraw/zinc/44/07/97/360440797.db2.gz VQRXXRXRIPOXMZ-ZETCQYMHSA-N 0 0 214.290 2.392 10 0 BEAERN CCc1nnc(N[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000306564047 360443076 /nfs/dbraw/zinc/44/30/76/360443076.db2.gz WIQGZBLTTRVPGH-GJMOJQLCSA-N 0 0 209.318 2.311 10 0 BEAERN Cc1nc(C(=O)[C@@H]2OCC[C@H]2C)cs1 ZINC000306566692 360445699 /nfs/dbraw/zinc/44/56/99/360445699.db2.gz YTVNYNJCMPYRIZ-LHLIQPBNSA-N 0 0 211.286 2.059 10 0 BEAERN Cc1ccsc1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000614140288 363732671 /nfs/dbraw/zinc/73/26/71/363732671.db2.gz HSCGXUWOZBOZQQ-UWVGGRQHSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCC[C@H](O)C2)c1C ZINC000614143567 363733706 /nfs/dbraw/zinc/73/37/06/363733706.db2.gz NULGFNCBUIBUTM-STQMWFEESA-N 0 0 247.338 2.337 10 0 BEAERN C[C@H]1CSCCN1c1ccc(C=O)cc1 ZINC000069761083 360409215 /nfs/dbraw/zinc/40/92/15/360409215.db2.gz XREXHHWEFWQZCJ-JTQLQIEISA-N 0 0 221.325 2.441 10 0 BEAERN Cc1ncc(CNc2cnoc2C)s1 ZINC000306543190 360411545 /nfs/dbraw/zinc/41/15/45/360411545.db2.gz RVBIOUZHDDAIQH-UHFFFAOYSA-N 0 0 209.274 2.360 10 0 BEAERN COc1cc(C2(O)CC(C)(C)C2)sn1 ZINC000306543657 360412417 /nfs/dbraw/zinc/41/24/17/360412417.db2.gz SSKZQSXPFWWGDW-UHFFFAOYSA-N 0 0 213.302 2.159 10 0 BEAERN CNc1nnc(-c2csc(Cl)c2)n1C ZINC000306542007 360412746 /nfs/dbraw/zinc/41/27/46/360412746.db2.gz QEFWYALUGJOGHL-UHFFFAOYSA-N 0 0 228.708 2.239 10 0 BEAERN Cc1ccc(F)cc1C1=NC(=O)CS1 ZINC000306549446 360419931 /nfs/dbraw/zinc/41/99/31/360419931.db2.gz YOQRUQXYLJJQHW-UHFFFAOYSA-N 0 0 209.245 2.154 10 0 BEAERN COc1cc([C@]2(O)C[C@@H](C)[C@H]2C)sn1 ZINC000306550732 360424784 /nfs/dbraw/zinc/42/47/84/360424784.db2.gz ZNKIVMYCFBSHEP-XSSZXYGBSA-N 0 0 213.302 2.015 10 0 BEAERN COc1nccc(C(=O)[C@@H]2C[C@@H]2C)c1F ZINC000306556084 360430159 /nfs/dbraw/zinc/43/01/59/360430159.db2.gz MIAXGXRXRUHEIL-POYBYMJQSA-N 0 0 209.220 2.068 10 0 BEAERN Cc1cc(NCCCF)c(F)cc1N ZINC000306556423 360430183 /nfs/dbraw/zinc/43/01/83/360430183.db2.gz IHNBUOBVZFHMNA-UHFFFAOYSA-N 0 0 200.232 2.488 10 0 BEAERN O=C1N[C@H](c2csc(Br)c2)CO1 ZINC000306557937 360431314 /nfs/dbraw/zinc/43/13/14/360431314.db2.gz OKMOUQKYMZQCGC-YFKPBYRVSA-N 0 0 248.101 2.292 10 0 BEAERN O[C@H](c1cn[nH]c1)c1sccc1Cl ZINC000306558367 360432266 /nfs/dbraw/zinc/43/22/66/360432266.db2.gz ORZHQXMVMOJWOO-SSDOTTSWSA-N 0 0 214.677 2.206 10 0 BEAERN O[C@H](C[C@H]1CCOC1)c1sccc1F ZINC000306560103 360435192 /nfs/dbraw/zinc/43/51/92/360435192.db2.gz AZQIQEQLKBWCEF-VXNVDRBHSA-N 0 0 216.277 2.347 10 0 BEAERN Cc1cscc1-c1ncc(N)c(C)n1 ZINC000300743544 360435734 /nfs/dbraw/zinc/43/57/34/360435734.db2.gz ODTKXFFXOYWCHY-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cn([C@@H]2CSC[C@@H]2C)c(=S)[nH]1 ZINC000306584091 360483618 /nfs/dbraw/zinc/48/36/18/360483618.db2.gz PWQNURJVCGITRN-POYBYMJQSA-N 0 0 214.359 2.404 10 0 BEAERN FC(F)(F)C1(CNc2ncns2)CC1 ZINC000306570533 360453638 /nfs/dbraw/zinc/45/36/38/360453638.db2.gz YXUILVNCUJHIKV-UHFFFAOYSA-N 0 0 223.223 2.293 10 0 BEAERN Cc1nocc1CNc1cccc(F)n1 ZINC000306577828 360466425 /nfs/dbraw/zinc/46/64/25/360466425.db2.gz LSGGAUHJGOBBHT-UHFFFAOYSA-N 0 0 207.208 2.129 10 0 BEAERN CC(C)NC(=S)N[C@H](C)[C@@H]1CC1(C)C ZINC000306578103 360466591 /nfs/dbraw/zinc/46/65/91/360466591.db2.gz LUSXGAQISQHGQK-BDAKNGLRSA-N 0 0 214.378 2.294 10 0 BEAERN Cc1nocc1-c1nnc(Br)s1 ZINC000402826682 360466637 /nfs/dbraw/zinc/46/66/37/360466637.db2.gz NVKMONMUTXTZES-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN Cc1c[nH]c(=S)n1[C@@H]1CSC[C@@H]1C ZINC000306578769 360468672 /nfs/dbraw/zinc/46/86/72/360468672.db2.gz MMWUPFZNLCIWDJ-POYBYMJQSA-N 0 0 214.359 2.404 10 0 BEAERN O=Cc1c[nH]c([C@@H]2CCC(F)(F)C2)n1 ZINC000300820659 360522886 /nfs/dbraw/zinc/52/28/86/360522886.db2.gz DFHPGXPCGICZOU-ZCFIWIBFSA-N 0 0 200.188 2.125 10 0 BEAERN Cc1ccc(Oc2nncs2)cc1N ZINC000300838456 360531891 /nfs/dbraw/zinc/53/18/91/360531891.db2.gz DRXRTMJISYCDSZ-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN O[C@@H](C[C@H]1CCOC1)c1ccc(Cl)o1 ZINC000306591850 360512503 /nfs/dbraw/zinc/51/25/03/360512503.db2.gz VWXKWKJHFQPJJQ-SFYZADRCSA-N 0 0 216.664 2.393 10 0 BEAERN C[C@H](Nc1ncccc1Cl)C(C)(C)O ZINC000306593782 360515189 /nfs/dbraw/zinc/51/51/89/360515189.db2.gz DIQFZKNDVHHNFI-ZETCQYMHSA-N 0 0 214.696 2.306 10 0 BEAERN Cc1cc(C)nc(NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000086015138 219823694 /nfs/dbraw/zinc/82/36/94/219823694.db2.gz JAFLYPGJUMQYNC-RYUDHWBXSA-N 0 0 235.331 2.056 10 0 BEAERN CC(C)(C[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069793994 360556354 /nfs/dbraw/zinc/55/63/54/360556354.db2.gz YZPPDOVFABTFSH-UHFFFAOYSA-N 0 0 213.321 2.219 10 0 BEAERN O=c1[nH]cc(-c2ccc(Br)cc2)[nH]1 ZINC000039408346 360597259 /nfs/dbraw/zinc/59/72/59/360597259.db2.gz ZQZRRGGPCCTNFN-UHFFFAOYSA-N 0 0 239.072 2.133 10 0 BEAERN C[C@H]1CC[C@H](c2nc(-c3ccncc3)no2)O1 ZINC000129415407 219833166 /nfs/dbraw/zinc/83/31/66/219833166.db2.gz ZCGSKCPJBVXBHS-WCBMZHEXSA-N 0 0 231.255 2.372 10 0 BEAERN CC(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000238145092 360626165 /nfs/dbraw/zinc/62/61/65/360626165.db2.gz HMSBHOISTPZKEC-SECBINFHSA-N 0 0 228.089 2.038 10 0 BEAERN O[C@@H]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000034180800 259520258 /nfs/dbraw/zinc/52/02/58/259520258.db2.gz PUKOQKVUTNUAPV-NXEZZACHSA-N 0 0 206.241 2.044 10 0 BEAERN CCC(=O)[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000306610668 360778925 /nfs/dbraw/zinc/77/89/25/360778925.db2.gz FHCAHCZRNVBKAF-POYBYMJQSA-N 0 0 210.195 2.323 10 0 BEAERN CCC(=O)[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000306610677 360779520 /nfs/dbraw/zinc/77/95/20/360779520.db2.gz FHCAHCZRNVBKAF-SVRRBLITSA-N 0 0 210.195 2.323 10 0 BEAERN CCc1cc(-c2cccs2)nc(N)n1 ZINC000238312079 360862712 /nfs/dbraw/zinc/86/27/12/360862712.db2.gz NKHZZFKJMPJMIQ-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN NC(=S)CCCOCCc1ccccc1 ZINC000026514964 181315117 /nfs/dbraw/zinc/31/51/17/181315117.db2.gz NRJRXUDLIDEVTB-UHFFFAOYSA-N 0 0 223.341 2.312 10 0 BEAERN COC(=O)c1cnn2c1c(Cl)ccc2C ZINC000238335963 360884780 /nfs/dbraw/zinc/88/47/80/360884780.db2.gz UKHXTAXHAHLFKQ-UHFFFAOYSA-N 0 0 224.647 2.083 10 0 BEAERN NC(=S)COc1c(F)cccc1Cl ZINC000083350194 181316406 /nfs/dbraw/zinc/31/64/06/181316406.db2.gz VBVREXAMLJPWKW-UHFFFAOYSA-N 0 0 219.668 2.144 10 0 BEAERN O[C@H]1CCC[C@H](Nc2nnc(C3CC3)s2)C1 ZINC000309611393 491152480 /nfs/dbraw/zinc/15/24/80/491152480.db2.gz ZOXILCDWWJQQAS-IUCAKERBSA-N 0 0 239.344 2.131 10 0 BEAERN NC(=S)COc1ccc(Cl)c(F)c1 ZINC000083350191 181316665 /nfs/dbraw/zinc/31/66/65/181316665.db2.gz MBLVJDVEBANZHW-UHFFFAOYSA-N 0 0 219.668 2.144 10 0 BEAERN NC(=S)Cc1ccc2ccccc2n1 ZINC000020246426 181317363 /nfs/dbraw/zinc/31/73/63/181317363.db2.gz PODSWTXEDPFIJH-UHFFFAOYSA-N 0 0 202.282 2.063 10 0 BEAERN COC(=O)c1cc(F)cc(F)c1Cl ZINC000238363093 360948864 /nfs/dbraw/zinc/94/88/64/360948864.db2.gz IYDYFGQDDRCRGF-UHFFFAOYSA-N 0 0 206.575 2.405 10 0 BEAERN O=C1CCC[S@@](=O)c2cc(F)c(F)cc21 ZINC000040973251 360982943 /nfs/dbraw/zinc/98/29/43/360982943.db2.gz ZEBQQKQCDKVMNN-HNNXBMFYSA-N 0 0 230.235 2.049 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)[C@H](C)C[S@@]2=O ZINC000040973040 360984416 /nfs/dbraw/zinc/98/44/16/360984416.db2.gz KEZATLBMROIEFL-RFAUZJTJSA-N 0 0 222.309 2.243 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCCC[C@@H]1CO)C1CCC1 ZINC000457666240 200816563 /nfs/dbraw/zinc/81/65/63/200816563.db2.gz UYKFPSJLXDLVRU-UHTWSYAYSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CN(c2ccnc(Cl)n2)C[C@H](C)S1 ZINC000069910212 361018944 /nfs/dbraw/zinc/01/89/44/361018944.db2.gz KYXNOWMVDJVXQW-OCAPTIKFSA-N 0 0 243.763 2.460 10 0 BEAERN O[C@H](c1cnsn1)c1ccc(Cl)cc1 ZINC000138641438 361034321 /nfs/dbraw/zinc/03/43/21/361034321.db2.gz QGLFOOMNEOXXLH-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN NC(=S)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000036226544 181321926 /nfs/dbraw/zinc/32/19/26/181321926.db2.gz NHZZDIAHWDLOKK-UHFFFAOYSA-N 0 0 246.122 2.275 10 0 BEAERN NC(=S)c1ccccc1OCC1CC1 ZINC000020077498 181321996 /nfs/dbraw/zinc/32/19/96/181321996.db2.gz DCEVBPAEEFXFGA-UHFFFAOYSA-N 0 0 207.298 2.110 10 0 BEAERN O=S1(=O)CC=C(c2ccc(Cl)cc2)C1 ZINC000036405580 361092661 /nfs/dbraw/zinc/09/26/61/361092661.db2.gz HXNYRPGWLGXUIE-UHFFFAOYSA-N 0 0 228.700 2.152 10 0 BEAERN O=Cc1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238526980 361139432 /nfs/dbraw/zinc/13/94/32/361139432.db2.gz WLRRASSDPRQFKG-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Clc1ncnc2ccc(Br)nc12 ZINC000238526716 361139472 /nfs/dbraw/zinc/13/94/72/361139472.db2.gz LXHAQYAWZMRDSS-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN Cc1cnc(Cl)c(Br)c1N ZINC000238522339 361139547 /nfs/dbraw/zinc/13/95/47/361139547.db2.gz FHVKEWVJTXCXMK-UHFFFAOYSA-N 0 0 221.485 2.388 10 0 BEAERN O=Cc1nc(OC(F)(F)F)ccc1Cl ZINC000238534762 361143284 /nfs/dbraw/zinc/14/32/84/361143284.db2.gz HXMKADREEQZCQE-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Nc1ccc(F)c(F)c1NC(=O)C(F)(F)F ZINC000169812830 361146527 /nfs/dbraw/zinc/14/65/27/361146527.db2.gz XRNXACGYSGOQBT-UHFFFAOYSA-N 0 0 240.131 2.048 10 0 BEAERN O=Cc1cc(OC(F)(F)F)cnc1Cl ZINC000238541486 361147061 /nfs/dbraw/zinc/14/70/61/361147061.db2.gz FLJSBMLYWVMEQR-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1cnc(N)c(C(=O)C2CCCC2)c1 ZINC000069942914 361174143 /nfs/dbraw/zinc/17/41/43/361174143.db2.gz DEFJUMVYWANZOK-UHFFFAOYSA-N 0 0 204.273 2.345 10 0 BEAERN Nc1ncc(Cl)cc1C(=O)c1ccco1 ZINC000069943451 361174321 /nfs/dbraw/zinc/17/43/21/361174321.db2.gz UVOMUNBSVSFAON-UHFFFAOYSA-N 0 0 222.631 2.141 10 0 BEAERN Cc1ccnc(N)c1C(=O)c1ccsc1 ZINC000069942017 361174391 /nfs/dbraw/zinc/17/43/91/361174391.db2.gz MNKCNJJMSSGEKS-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN OCc1nccc(OC(F)(F)F)c1Cl ZINC000238666748 361175475 /nfs/dbraw/zinc/17/54/75/361175475.db2.gz CTCHPPVYGPPVMD-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Nc1ncc(Cl)cc1C1CCOCC1 ZINC000069943769 361175482 /nfs/dbraw/zinc/17/54/82/361175482.db2.gz LJZHBPCASXLIGO-UHFFFAOYSA-N 0 0 212.680 2.211 10 0 BEAERN O=c1cc([C@H]2C[C@H]2c2ccccc2)[nH][nH]1 ZINC000238700826 361180093 /nfs/dbraw/zinc/18/00/93/361180093.db2.gz RBZJEPPZUOQABD-UWVGGRQHSA-N 0 0 200.241 2.386 10 0 BEAERN Nc1nccc(OC(F)(F)F)c1Cl ZINC000238699624 361180131 /nfs/dbraw/zinc/18/01/31/361180131.db2.gz NKSOPXOCKLFAQI-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Oc1cc(Cl)cnc1OC(F)(F)F ZINC000238693577 361180415 /nfs/dbraw/zinc/18/04/15/361180415.db2.gz PNFLMFYINVGYOQ-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN O[C@H]1CCc2ccc(OC(F)F)cc21 ZINC000238700489 361180442 /nfs/dbraw/zinc/18/04/42/361180442.db2.gz IQMUSXBHYFARHR-VIFPVBQESA-N 0 0 200.184 2.268 10 0 BEAERN CCCCOc1ccc(N)c(C(=O)OC)c1 ZINC000041046281 361183207 /nfs/dbraw/zinc/18/32/07/361183207.db2.gz IFMKVWCOTCRYDR-UHFFFAOYSA-N 0 0 223.272 2.234 10 0 BEAERN O=Cc1ccc(OC(F)F)c(Cl)n1 ZINC000306620234 361197634 /nfs/dbraw/zinc/19/76/34/361197634.db2.gz WRGOZIMUOCNOKP-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](O)C(C)(C)C ZINC000424734797 200956641 /nfs/dbraw/zinc/95/66/41/200956641.db2.gz UXXOQVXSUITHBK-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)(C)[C@H](C(=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC000306626350 361292714 /nfs/dbraw/zinc/29/27/14/361292714.db2.gz HQAUEYOPDQQDOZ-VIFPVBQESA-N 0 0 213.321 2.218 10 0 BEAERN O[C@H](c1coc(Br)c1)C1CC1 ZINC000306630077 361300078 /nfs/dbraw/zinc/30/00/78/361300078.db2.gz KLZHIBOZTUFDPD-QMMMGPOBSA-N 0 0 217.062 2.486 10 0 BEAERN Cn1nccc1-c1ccc(C=O)cc1F ZINC000161634143 370678808 /nfs/dbraw/zinc/67/88/08/370678808.db2.gz SMPWITDOJHNLGJ-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN O[C@@H]1CCc2ccc(Br)cc2C1 ZINC000238714914 361371049 /nfs/dbraw/zinc/37/10/49/361371049.db2.gz UGQHSPTYEKKEJS-SNVBAGLBSA-N 0 0 227.101 2.299 10 0 BEAERN OCc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238728930 361372812 /nfs/dbraw/zinc/37/28/12/361372812.db2.gz IWJUQONFZXQHKS-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN COC(=O)c1c(C)nccc1OC(F)(F)F ZINC000381392220 361389777 /nfs/dbraw/zinc/38/97/77/361389777.db2.gz NRYSPBCBSCAXOG-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cc1c(CN[C@@H]2CCCC2(F)F)cnn1C ZINC000309910392 491158055 /nfs/dbraw/zinc/15/80/55/491158055.db2.gz MJZSDWGBQKRYAW-SNVBAGLBSA-N 0 0 229.274 2.006 10 0 BEAERN O=[N+]([O-])c1ncc(CF)cc1OC(F)(F)F ZINC000381634643 361504853 /nfs/dbraw/zinc/50/48/53/361504853.db2.gz NTUQLDMKHYKDDR-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN CCc1c(C)nc(-c2ccccc2OC)[nH]c1=O ZINC000038003927 361511770 /nfs/dbraw/zinc/51/17/70/361511770.db2.gz PFYLBXIXYJGPMX-UHFFFAOYSA-N 0 0 244.294 2.316 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)[C@@H]1CCC[C@@H]1C ZINC000629635980 361525460 /nfs/dbraw/zinc/52/54/60/361525460.db2.gz NQOFXJYQSKUOGW-NWDGAFQWSA-N 0 0 241.375 2.432 10 0 BEAERN CSC1([C@H](O)c2cccnc2)CCC1 ZINC000306637067 361526766 /nfs/dbraw/zinc/52/67/66/361526766.db2.gz BCYNZZLDYMIBOY-SNVBAGLBSA-N 0 0 209.314 2.401 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C[C@H]1CC1(Cl)Cl ZINC000306637074 361527085 /nfs/dbraw/zinc/52/70/85/361527085.db2.gz BDRAPSBDQXZFSO-DSYKOEDSSA-N 0 0 222.115 2.095 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)c2ccncn2)C1 ZINC000070566414 361561101 /nfs/dbraw/zinc/56/11/01/361561101.db2.gz ALHFEGWNIOIIDB-NXEZZACHSA-N 0 0 204.273 2.486 10 0 BEAERN CC(C)(F)C(=O)Nc1ccc(C=O)cc1 ZINC000306639295 361592516 /nfs/dbraw/zinc/59/25/16/361592516.db2.gz COHWXGDBMDYHRG-UHFFFAOYSA-N 0 0 209.220 2.186 10 0 BEAERN Clc1n[nH]c(CCc2ccccc2)n1 ZINC000070584147 361573332 /nfs/dbraw/zinc/57/33/32/361573332.db2.gz SLIIMWZLHLLTSP-UHFFFAOYSA-N 0 0 207.664 2.243 10 0 BEAERN Clc1n[nH]c(COc2ccccc2)n1 ZINC000070584148 361573514 /nfs/dbraw/zinc/57/35/14/361573514.db2.gz IYDJOUKRZKHNAJ-UHFFFAOYSA-N 0 0 209.636 2.037 10 0 BEAERN COC(=O)c1sc(-c2cccnc2)cc1N ZINC000036929252 361579477 /nfs/dbraw/zinc/57/94/77/361579477.db2.gz PHGKBPCNBWSRJB-UHFFFAOYSA-N 0 0 234.280 2.179 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@H]1C[C@@H]1C ZINC000189775709 219907830 /nfs/dbraw/zinc/90/78/30/219907830.db2.gz POUSPPORSKSCFY-UWVGGRQHSA-N 0 0 212.337 2.376 10 0 BEAERN CCc1c(OC)ccc(OC)c1C(C)=O ZINC000214896768 363885152 /nfs/dbraw/zinc/88/51/52/363885152.db2.gz UXBQMUFFGOUOLG-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CCC2(C)C ZINC000306339210 541312945 /nfs/dbraw/zinc/31/29/45/541312945.db2.gz YSPJHPISWYLHEL-RYUDHWBXSA-N 0 0 212.289 2.143 10 0 BEAERN COc1cccc(C[C@@H](N)C(F)(F)F)c1 ZINC000074080809 541313024 /nfs/dbraw/zinc/31/30/24/541313024.db2.gz PZKMALZJIUFODA-SECBINFHSA-N 0 0 219.206 2.127 10 0 BEAERN C[C@H]1Oc2c(ccc(Cl)c2F)C1=O ZINC000130678272 364026490 /nfs/dbraw/zinc/02/64/90/364026490.db2.gz VXIPFJBCSBXQJD-SCSAIBSYSA-N 0 0 200.596 2.443 10 0 BEAERN Cn1cc(-c2cc(Cl)cnc2F)cn1 ZINC000725241489 541329966 /nfs/dbraw/zinc/32/99/66/541329966.db2.gz UKKBVDICNPRWFZ-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN CC(C)[C@H](C)C(=O)NCC[C@H]1CCCC[C@@H]1O ZINC000725263918 541336582 /nfs/dbraw/zinc/33/65/82/541336582.db2.gz BVIOJUMGKLLOSK-XQQFMLRXSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1ccccc1-c1nnsc1CO ZINC000725273494 541340335 /nfs/dbraw/zinc/34/03/35/541340335.db2.gz HAFVYQJOQBEPMM-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN O=C(N[C@H]1CCOc2ccccc21)c1cc[nH]c1 ZINC000068232475 370760407 /nfs/dbraw/zinc/76/04/07/370760407.db2.gz ZFUVTPCUQOJBBF-LBPRGKRZSA-N 0 0 242.278 2.268 10 0 BEAERN CCc1ccc(O)c(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000170807274 364285114 /nfs/dbraw/zinc/28/51/14/364285114.db2.gz RRFPHNIKQWWRCP-GZMMTYOYSA-N 0 0 219.284 2.093 10 0 BEAERN CCCc1nsc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000134574633 364406997 /nfs/dbraw/zinc/40/69/97/364406997.db2.gz INJXSLQTRUKEPP-HTQZYQBOSA-N 0 0 227.333 2.080 10 0 BEAERN CCCN1CCO[C@H](c2nc(C)cs2)C1 ZINC000134053194 364384897 /nfs/dbraw/zinc/38/48/97/364384897.db2.gz MMVJFHGXGRIPGL-JTQLQIEISA-N 0 0 226.345 2.235 10 0 BEAERN CC(=O)c1ccccc1-n1cc(C)cn1 ZINC000037677416 364487413 /nfs/dbraw/zinc/48/74/13/364487413.db2.gz LRZMYNJFMGGZPF-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN Nc1ccccc1S[C@@H]1CCC[C@@H]1O ZINC000037690533 364530313 /nfs/dbraw/zinc/53/03/13/364530313.db2.gz QYICOVGGESROEZ-GXSJLCMTSA-N 0 0 209.314 2.274 10 0 BEAERN NNc1ncnc2c(Cl)cc(Cl)cc12 ZINC000037737485 364563498 /nfs/dbraw/zinc/56/34/98/364563498.db2.gz WIMBRCGHGIUHAE-UHFFFAOYSA-N 0 0 229.070 2.222 10 0 BEAERN Cc1cnccc1C(=O)Cc1ccoc1 ZINC000130702941 364667935 /nfs/dbraw/zinc/66/79/35/364667935.db2.gz YWCOKUJZUYYUEI-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN C1CC1[C@H]1CCNc2c3c(nn21)NCCC3 ZINC000232451484 541394417 /nfs/dbraw/zinc/39/44/17/541394417.db2.gz WVSMXWMCWAKHAW-SNVBAGLBSA-N 0 0 218.304 2.008 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCCCC[C@H]2C ZINC000669383611 541408002 /nfs/dbraw/zinc/40/80/02/541408002.db2.gz TYCAZBPUZYGZDD-USWWRNFRSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@H](C)c1noc(-c2cc3n(n2)CCCO3)n1 ZINC000329725935 541426225 /nfs/dbraw/zinc/42/62/25/541426225.db2.gz DQUYLFRWOOVAMP-QMMMGPOBSA-N 0 0 248.286 2.229 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CCCC2(C)C ZINC000669384229 541437389 /nfs/dbraw/zinc/43/73/89/541437389.db2.gz QNGXWMPYRHMIIE-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12CCCC2(C)C ZINC000669384230 541437862 /nfs/dbraw/zinc/43/78/62/541437862.db2.gz QNGXWMPYRHMIIE-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]1(C)Cc1cccs1 ZINC000669383955 541437873 /nfs/dbraw/zinc/43/78/73/541437873.db2.gz YSRNYZNGAGWHEQ-QWRGUYRKSA-N 0 0 226.297 2.011 10 0 BEAERN CC[C@@H]1CCC[C@@]12O[C@@]2(CC)C(=O)OC ZINC000669384174 541437934 /nfs/dbraw/zinc/43/79/34/541437934.db2.gz PMDAYRKEWXAHAI-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN [NH3+]CC[C@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000077398262 181408934 /nfs/dbraw/zinc/40/89/34/181408934.db2.gz OCPNFUGWONCZFX-ZDUSSCGKSA-N 0 0 245.278 2.021 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000171461087 365201405 /nfs/dbraw/zinc/20/14/05/365201405.db2.gz WOPBRMXFIACTCO-SRVKXCTJSA-N 0 0 227.348 2.211 10 0 BEAERN CC(C)n1ccc(CN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000172332320 365312764 /nfs/dbraw/zinc/31/27/64/365312764.db2.gz GTCIVOBFXFLGES-VXGBXAGGSA-N 0 0 237.347 2.073 10 0 BEAERN CC(C)[C@H](C)CNC(=O)N1CCS[C@H](C)C1 ZINC000172506798 365333198 /nfs/dbraw/zinc/33/31/98/365333198.db2.gz QYGMAUBCCSICMP-GHMZBOCLSA-N 0 0 244.404 2.425 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H](C2CCCCCC2)C1 ZINC000675060459 541463389 /nfs/dbraw/zinc/46/33/89/541463389.db2.gz YYMFQMAZTKZTKB-RYUDHWBXSA-N 0 0 225.332 2.267 10 0 BEAERN C[C@@H]1CC[C@H](C)c2c1c[nH+]c(N)c2C(=O)[O-] ZINC000675063347 541464798 /nfs/dbraw/zinc/46/47/98/541464798.db2.gz COFIZMGCAOSIEO-RQJHMYQMSA-N 0 0 220.272 2.363 10 0 BEAERN COC(=O)c1cc(N)c2ccccc2c1 ZINC000139959905 541501967 /nfs/dbraw/zinc/50/19/67/541501967.db2.gz ITAMEXWVHLBNFG-UHFFFAOYSA-N 0 0 201.225 2.209 10 0 BEAERN CC[C@@H]1[C@H](C)CNc2c3cccnc3nn21 ZINC000233930735 541510273 /nfs/dbraw/zinc/51/02/73/541510273.db2.gz GGDYHZHIMYQVDJ-PSASIEDQSA-N 0 0 216.288 2.444 10 0 BEAERN CC[C@H]1[C@@H](C)CNc2c3cccnc3nn21 ZINC000234078833 541511066 /nfs/dbraw/zinc/51/10/66/541511066.db2.gz GGDYHZHIMYQVDJ-WPRPVWTQSA-N 0 0 216.288 2.444 10 0 BEAERN CC(C)c1nc2n(n1)[C@@H](C1CC1)CCN2 ZINC000232793702 541507939 /nfs/dbraw/zinc/50/79/39/541507939.db2.gz ZSDQEYUKHZSYME-SECBINFHSA-N 0 0 206.293 2.168 10 0 BEAERN CCOC(=O)c1noc(-c2ccoc2Cl)n1 ZINC000233717864 541509473 /nfs/dbraw/zinc/50/94/73/541509473.db2.gz VZSXNOVCWXYVCO-UHFFFAOYSA-N 0 0 242.618 2.160 10 0 BEAERN C[C@H]1CCCCN1Cc1nnc(C2CC2)n1C ZINC000195011446 367332061 /nfs/dbraw/zinc/33/20/61/367332061.db2.gz SSUFTWRDEOMFID-JTQLQIEISA-N 0 0 234.347 2.067 10 0 BEAERN CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccsc1 ZINC000382104135 367485668 /nfs/dbraw/zinc/48/56/68/367485668.db2.gz JRNAQWTUIGPHFF-WDEREUQCSA-N 0 0 238.356 2.067 10 0 BEAERN COC(=O)c1cccnc1CN1CC=C(C)CC1 ZINC000382481502 367529441 /nfs/dbraw/zinc/52/94/41/367529441.db2.gz PEPPFDMRPYDFET-UHFFFAOYSA-N 0 0 246.310 2.020 10 0 BEAERN CC(=O)OCC(=O)c1cccc(C)c1C ZINC000382711683 367553058 /nfs/dbraw/zinc/55/30/58/367553058.db2.gz ZFJVSRQNTJZMNP-UHFFFAOYSA-N 0 0 206.241 2.049 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CCCSC1 ZINC000384166360 367674533 /nfs/dbraw/zinc/67/45/33/367674533.db2.gz STGLECVANKTRAC-VIFPVBQESA-N 0 0 217.334 2.264 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CCCC1(C)C ZINC000384983900 367769711 /nfs/dbraw/zinc/76/97/11/367769711.db2.gz ZLGBWLZWWIDCKE-WOPDTQHZSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000384667580 367713867 /nfs/dbraw/zinc/71/38/67/367713867.db2.gz XGYRXHZQLIGSQJ-APHKKCJPSA-N 0 0 224.304 2.200 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2C[C@H](C)O[C@@H]2C)o1 ZINC000384667581 367714071 /nfs/dbraw/zinc/71/40/71/367714071.db2.gz XGYRXHZQLIGSQJ-CPOMMVLXSA-N 0 0 224.304 2.200 10 0 BEAERN C[C@H]1[C@H](O)CCCN1c1ncnc2sccc21 ZINC000385092341 367788256 /nfs/dbraw/zinc/78/82/56/367788256.db2.gz YFHADMWJOOISQE-WCBMZHEXSA-N 0 0 249.339 2.041 10 0 BEAERN CC(C)OC(=O)N(CC(F)F)C1CC1 ZINC000386955124 368038110 /nfs/dbraw/zinc/03/81/10/368038110.db2.gz UTKAPLIAOWTWPW-UHFFFAOYSA-N 0 0 207.220 2.261 10 0 BEAERN CC(C)C[N@H+](Cc1nc(C(=O)[O-])co1)C(C)C ZINC000387147331 368065933 /nfs/dbraw/zinc/06/59/33/368065933.db2.gz JNFZEVOSXLUVMJ-UHFFFAOYSA-N 0 0 240.303 2.239 10 0 BEAERN C[C@@H](C1CC1)[N@@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252808140 368158368 /nfs/dbraw/zinc/15/83/68/368158368.db2.gz JPZMVDQGCVWJNP-JOYOIKCWSA-N 0 0 211.305 2.114 10 0 BEAERN O[C@@H](Cc1cncs1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252896893 368164260 /nfs/dbraw/zinc/16/42/60/368164260.db2.gz CHRSOZPLFIKMPU-DKIAZLNASA-N 0 0 209.314 2.093 10 0 BEAERN CC1(C)CC[C@@H](O)[C@H](OCC(F)F)C1 ZINC000130769852 368142373 /nfs/dbraw/zinc/14/23/73/368142373.db2.gz CAVZYZZWDKBJLS-HTQZYQBOSA-N 0 0 208.248 2.208 10 0 BEAERN C[C@H](NN)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000253026281 368303375 /nfs/dbraw/zinc/30/33/75/368303375.db2.gz ZWZGYZUBOBVMIL-BIIVOSGPSA-N 0 0 210.243 2.207 10 0 BEAERN C[C@H](CNC(=O)OC(C)(C)C)OC1CCC1 ZINC000224911652 368367994 /nfs/dbraw/zinc/36/79/94/368367994.db2.gz XLXBFUWZBZFCIL-SECBINFHSA-N 0 0 229.320 2.469 10 0 BEAERN C[C@@H](CNC(=O)OC(C)(C)C)OC1CCC1 ZINC000224911608 368368087 /nfs/dbraw/zinc/36/80/87/368368087.db2.gz XLXBFUWZBZFCIL-VIFPVBQESA-N 0 0 229.320 2.469 10 0 BEAERN O[C@H](CF)c1ccc(Br)cc1 ZINC000038917586 368325639 /nfs/dbraw/zinc/32/56/39/368325639.db2.gz DOCJQSDUKAOMNV-MRVPVSSYSA-N 0 0 219.053 2.452 10 0 BEAERN CCOP(=O)(OCC)[C@H]1CCCC1=O ZINC000038917664 368325650 /nfs/dbraw/zinc/32/56/50/368325650.db2.gz UPZGMBZVQRAJMW-VIFPVBQESA-N 0 0 220.205 2.374 10 0 BEAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])CCc1ccccc1 ZINC000038997645 368328575 /nfs/dbraw/zinc/32/85/75/368328575.db2.gz BSEDHQZMQSWXLX-NSHDSACASA-N 0 0 221.300 2.057 10 0 BEAERN OCCn1c2ccccc2c2ccncc21 ZINC000059672088 368333893 /nfs/dbraw/zinc/33/38/93/368333893.db2.gz MPLKMQHZGKUTGK-UHFFFAOYSA-N 0 0 212.252 2.182 10 0 BEAERN CC1(C)COC(C)(C2CCC(O)CC2)OC1 ZINC000059783066 368335348 /nfs/dbraw/zinc/33/53/48/368335348.db2.gz CGSRAYQYWTZMFU-UHFFFAOYSA-N 0 0 228.332 2.327 10 0 BEAERN Clc1nc2ncnn2cc1-c1ccccc1 ZINC000114734870 368343671 /nfs/dbraw/zinc/34/36/71/368343671.db2.gz OENVUBDOCPXNML-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN C#Cc1nc2ccc(C(=O)OCC)cc2s1 ZINC000118233997 368345140 /nfs/dbraw/zinc/34/51/40/368345140.db2.gz CCAGEUBNPDRHFX-UHFFFAOYSA-N 0 0 231.276 2.454 10 0 BEAERN CCCCOc1ccc(-c2cnc(N)nn2)cc1 ZINC000048554689 368379692 /nfs/dbraw/zinc/37/96/92/368379692.db2.gz GIXUMASVOFDYBA-UHFFFAOYSA-N 0 0 244.298 2.300 10 0 BEAERN CSCC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000045417732 368426411 /nfs/dbraw/zinc/42/64/11/368426411.db2.gz NWTPLNNGTGDZCP-IUCAKERBSA-N 0 0 201.335 2.044 10 0 BEAERN CCOC(=O)Cn1ccc2c1cccc2C=O ZINC000080332537 368496163 /nfs/dbraw/zinc/49/61/63/368496163.db2.gz WFGPVZHRPUDUHE-UHFFFAOYSA-N 0 0 231.251 2.017 10 0 BEAERN CCn1cc(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC000253181631 368604627 /nfs/dbraw/zinc/60/46/27/368604627.db2.gz FJFCGQBAXYMEMQ-ILWJIGKKSA-N 0 0 204.273 2.132 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCO2 ZINC000001685931 368680913 /nfs/dbraw/zinc/68/09/13/368680913.db2.gz DPOZBCNKLCURCP-VHSXEESVSA-N 0 0 234.251 2.082 10 0 BEAERN CC(C)OCCC(=O)N[C@H](C)C(C)(C)C ZINC000112249029 368868244 /nfs/dbraw/zinc/86/82/44/368868244.db2.gz HBVXSWZYDUAEDM-SNVBAGLBSA-N 0 0 215.337 2.352 10 0 BEAERN FC(F)CNc1nnc(C2CC2)s1 ZINC000154109254 368907250 /nfs/dbraw/zinc/90/72/50/368907250.db2.gz SHWDDLJPEQQJBU-UHFFFAOYSA-N 0 0 205.233 2.093 10 0 BEAERN COc1ccc(C=O)cc1O[C@@H]1CCCCO1 ZINC000114998156 368967041 /nfs/dbraw/zinc/96/70/41/368967041.db2.gz MJDKXOZCLCVOMC-CYBMUJFWSA-N 0 0 236.267 2.413 10 0 BEAERN CCOC(=O)/C=C/c1ccc(OC)cc1F ZINC000090461264 368983444 /nfs/dbraw/zinc/98/34/44/368983444.db2.gz JBDFPNCYHRVXTG-FNORWQNLSA-N 0 0 224.231 2.411 10 0 BEAERN CC(=O)OCc1ccc(N)cc1C(F)(F)F ZINC000118627862 368973258 /nfs/dbraw/zinc/97/32/58/368973258.db2.gz JROXHCDLFLIKSF-UHFFFAOYSA-N 0 0 233.189 2.351 10 0 BEAERN c1cc2c(nccc2-c2noc(C3CC3)n2)[nH]1 ZINC000114718391 368949705 /nfs/dbraw/zinc/94/97/05/368949705.db2.gz JDHDSHAJOIQVCP-UHFFFAOYSA-N 0 0 226.239 2.490 10 0 BEAERN C#Cc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000114936939 368961895 /nfs/dbraw/zinc/96/18/95/368961895.db2.gz PAUNDODSYMAOCO-UHFFFAOYSA-N 0 0 234.730 2.073 10 0 BEAERN CCOC(=O)N1Cc2nccc(Cl)c2C1 ZINC000115876717 369010250 /nfs/dbraw/zinc/01/02/50/369010250.db2.gz PKQNBUQDQPMAKZ-UHFFFAOYSA-N 0 0 226.663 2.207 10 0 BEAERN CCOC(=O)/C=C1\CCCc2cccnc21 ZINC000115904751 369013060 /nfs/dbraw/zinc/01/30/60/369013060.db2.gz SDJWACIISYQUDN-PKNBQFBNSA-N 0 0 217.268 2.364 10 0 BEAERN COP(=O)(OC)[C@@H](O)c1ccc(F)cc1 ZINC000090556565 368988646 /nfs/dbraw/zinc/98/86/46/368988646.db2.gz KBGSFLPVYJDWMS-SECBINFHSA-N 0 0 234.163 2.303 10 0 BEAERN COc1ccc(C2(O)CC2)cc1Br ZINC000054346548 369067157 /nfs/dbraw/zinc/06/71/57/369067157.db2.gz SYIGVZARUASQPD-UHFFFAOYSA-N 0 0 243.100 2.439 10 0 BEAERN O=C(CCSC1COC1)c1ccccc1 ZINC000130803726 369076357 /nfs/dbraw/zinc/07/63/57/369076357.db2.gz OHNGODBRANPNCT-UHFFFAOYSA-N 0 0 222.309 2.391 10 0 BEAERN O[C@H](Cc1ccoc1)[C@@H]1CSCCS1 ZINC000130848676 369118601 /nfs/dbraw/zinc/11/86/01/369118601.db2.gz JDJQKJLNXIOMEV-ZJUUUORDSA-N 0 0 230.354 2.032 10 0 BEAERN Cc1nc(N2CCCC2)sc1[C@H](C)O ZINC000054910294 369110114 /nfs/dbraw/zinc/11/01/14/369110114.db2.gz DTLLRSVEJNEYGT-QMMMGPOBSA-N 0 0 212.318 2.105 10 0 BEAERN CC(C)N1c2ccccc2NC[C@@H]1c1conn1 ZINC000616691402 369113426 /nfs/dbraw/zinc/11/34/26/369113426.db2.gz JUVXHVCBRVTPJY-CYBMUJFWSA-N 0 0 244.298 2.451 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1conn1 ZINC000616691754 369114475 /nfs/dbraw/zinc/11/44/75/369114475.db2.gz MMZNUVLZVOOOHK-GFCCVEGCSA-N 0 0 230.271 2.063 10 0 BEAERN CC(C)N1c2ccccc2NC[C@@H]1c1cn[nH]n1 ZINC000616691784 369114823 /nfs/dbraw/zinc/11/48/23/369114823.db2.gz NXBNNTKYPCDCRV-CYBMUJFWSA-N 0 0 243.314 2.186 10 0 BEAERN NC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000106789232 369180255 /nfs/dbraw/zinc/18/02/55/369180255.db2.gz ZIMHMQVRJTXUCG-UHFFFAOYSA-N 0 0 220.059 2.066 10 0 BEAERN COc1ccccc1NC(=O)C1(C)CC1 ZINC000155533071 326199656 /nfs/dbraw/zinc/19/96/56/326199656.db2.gz YPHVENQMGGYRNH-UHFFFAOYSA-N 0 0 205.257 2.434 10 0 BEAERN Clc1cc2c(nn1)-c1ccoc1CC2 ZINC000169233466 259538725 /nfs/dbraw/zinc/53/87/25/259538725.db2.gz GBLRJXOWXWDVCG-UHFFFAOYSA-N 0 0 206.632 2.489 10 0 BEAERN CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000387825914 369366172 /nfs/dbraw/zinc/36/61/72/369366172.db2.gz NDOGRIVLAUTKRA-ZIQFBCGOSA-N 0 0 207.317 2.195 10 0 BEAERN Cn1cnc2c1nc(Cl)cc2Cl ZINC000201484701 369391558 /nfs/dbraw/zinc/39/15/58/369391558.db2.gz OHNMKUCBLXFYMW-UHFFFAOYSA-N 0 0 202.044 2.275 10 0 BEAERN CCCC1(CNC(=O)[C@@H](C)COC)CCC1 ZINC000157288062 326265828 /nfs/dbraw/zinc/26/58/28/326265828.db2.gz OZVYPGAJBFZIIM-NSHDSACASA-N 0 0 227.348 2.356 10 0 BEAERN COc1ncc(OCc2ccccc2)c(C)n1 ZINC000118077796 370990793 /nfs/dbraw/zinc/99/07/93/370990793.db2.gz LCBZNHFHDYVOEN-UHFFFAOYSA-N 0 0 230.267 2.373 10 0 BEAERN COC(=O)c1cccc(N)c1C(F)(F)F ZINC000225274854 369554564 /nfs/dbraw/zinc/55/45/64/369554564.db2.gz OQGHFXJLXQLAKM-UHFFFAOYSA-N 0 0 219.162 2.074 10 0 BEAERN COC(=O)CCC(=O)N[C@@H](C)c1ccccc1C ZINC000073833042 369743942 /nfs/dbraw/zinc/74/39/42/369743942.db2.gz QBLKMGGYVGLKQJ-NSHDSACASA-N 0 0 249.310 2.125 10 0 BEAERN O[C@@H](Cc1cccs1)c1nccs1 ZINC000161525313 369996687 /nfs/dbraw/zinc/99/66/87/369996687.db2.gz PXQHYLLQMHQSCZ-QMMMGPOBSA-N 0 0 211.311 2.481 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)NC1CC(CO)C1 ZINC000620880668 370035320 /nfs/dbraw/zinc/03/53/20/370035320.db2.gz WZZADXLOGCUKNX-OTTFEQOBSA-N 0 0 241.375 2.336 10 0 BEAERN CC1(C)CCCC[C@@H]1C(=O)NC1CC(CO)C1 ZINC000620881660 370037202 /nfs/dbraw/zinc/03/72/02/370037202.db2.gz SCCUJGHUCOVNOV-HTAVTVPLSA-N 0 0 239.359 2.090 10 0 BEAERN CC1(C)CCCC[C@H]1C(=O)NC1CC(CO)C1 ZINC000620881661 370037647 /nfs/dbraw/zinc/03/76/47/370037647.db2.gz SCCUJGHUCOVNOV-MCIGGMRASA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCOc1ccc(F)cc1 ZINC000075517035 370141059 /nfs/dbraw/zinc/14/10/59/370141059.db2.gz TVPRPHLFKWWBPP-CABZTGNLSA-N 0 0 237.274 2.119 10 0 BEAERN Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075522568 370141553 /nfs/dbraw/zinc/14/15/53/370141553.db2.gz MJSLGQIDFUHAJP-WCQYABFASA-N 0 0 217.312 2.452 10 0 BEAERN CC[C@H](CSC)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253028944 370145772 /nfs/dbraw/zinc/14/57/72/370145772.db2.gz PRRLHDRTOUAZGM-LMLFDSFASA-N 0 0 227.373 2.290 10 0 BEAERN O=c1[nH]cc(Br)cc1OC(F)F ZINC000113278320 370398058 /nfs/dbraw/zinc/39/80/58/370398058.db2.gz SKHFYQHKLICWDM-UHFFFAOYSA-N 0 0 240.003 2.151 10 0 BEAERN CCOC(=O)C[C@@H](OC)c1ccc(O)cc1 ZINC000113356549 370405310 /nfs/dbraw/zinc/40/53/10/370405310.db2.gz LKGOWIGLGONACY-LLVKDONJSA-N 0 0 224.256 2.033 10 0 BEAERN CSC[C@@H](C)NC(=O)N[C@@H](C)C(C)C ZINC000077338368 370412234 /nfs/dbraw/zinc/41/22/34/370412234.db2.gz POHIAVFCBJFITH-BDAKNGLRSA-N 0 0 218.366 2.082 10 0 BEAERN Cc1ccc(C=O)n1C(=O)OC(C)(C)C ZINC000113930799 370516438 /nfs/dbraw/zinc/51/64/38/370516438.db2.gz DTVYJOBDDYXAAJ-UHFFFAOYSA-N 0 0 209.245 2.392 10 0 BEAERN Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1 ZINC000225400223 370526804 /nfs/dbraw/zinc/52/68/04/370526804.db2.gz XXOAENJNTRUWDM-UHFFFAOYSA-N 0 0 249.334 2.405 10 0 BEAERN CC[C@@]1(C)N(O)C(C)(C)C(c2ccccc2)=[N+]1[O-] ZINC000225399518 370527389 /nfs/dbraw/zinc/52/73/89/370527389.db2.gz SZHGOOBWVGXSFK-CQSZACIVSA-N 0 0 249.334 2.487 10 0 BEAERN C[C@@H]1CCN[C@H](c2nccs2)S1 ZINC000161612891 370604313 /nfs/dbraw/zinc/60/43/13/370604313.db2.gz KUFJETDHPUWQDK-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000079122176 370625230 /nfs/dbraw/zinc/62/52/30/370625230.db2.gz LTMHTAOUVXDZNJ-ZJUUUORDSA-N 0 0 212.337 2.471 10 0 BEAERN C[C@@H]1CCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000349896334 370626461 /nfs/dbraw/zinc/62/64/61/370626461.db2.gz RPFVBEWMGNZHMH-RKDXNWHRSA-N 0 0 230.271 2.430 10 0 BEAERN O=C1C=C(c2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000118687367 371052238 /nfs/dbraw/zinc/05/22/38/371052238.db2.gz UPFOMAACZDULHJ-UHFFFAOYSA-N 0 0 242.061 2.033 10 0 BEAERN [NH3+][C@@H](CCCC(=O)[O-])c1ccc2c(c1)CCCO2 ZINC000038058259 181542515 /nfs/dbraw/zinc/54/25/15/181542515.db2.gz UZKOCPOMIIBDLB-LBPRGKRZSA-N 0 0 249.310 2.266 10 0 BEAERN N[C@@H](Cc1cc(F)cc(F)c1)C(F)(F)F ZINC000082717336 181553101 /nfs/dbraw/zinc/55/31/01/181553101.db2.gz RGFDVKRUYSYDME-QMMMGPOBSA-N 0 0 225.160 2.397 10 0 BEAERN CCCC[N@H+](CC)[C@@H](C(=O)[O-])C(C)C ZINC000011864704 168802396 /nfs/dbraw/zinc/80/23/96/168802396.db2.gz CODHOTAATMGGGT-SNVBAGLBSA-N 0 0 201.310 2.218 10 0 BEAERN N[C@H](c1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000019968277 181632469 /nfs/dbraw/zinc/63/24/69/181632469.db2.gz UTXQAAYBTQNVSW-SNVBAGLBSA-N 0 0 244.216 2.133 10 0 BEAERN Nc1c(Cl)ncnc1NNc1ccccc1 ZINC000040571832 181668807 /nfs/dbraw/zinc/66/88/07/181668807.db2.gz NQTLOHOZGNTBFU-UHFFFAOYSA-N 0 0 235.678 2.151 10 0 BEAERN Nc1cc(-c2cnc3ccccc3c2)[nH]n1 ZINC000075879957 181675005 /nfs/dbraw/zinc/67/50/05/181675005.db2.gz BFBGALQKYHUCPP-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN Nc1cc(Br)cnc1NC1CCC1 ZINC000052207712 181677324 /nfs/dbraw/zinc/67/73/24/181677324.db2.gz PAPXNWJRLQEHMS-UHFFFAOYSA-N 0 0 242.120 2.391 10 0 BEAERN Nc1cc(CN2CCCC2=O)ccc1Cl ZINC000037402495 181681823 /nfs/dbraw/zinc/68/18/23/181681823.db2.gz BSNWREOLBCZNHC-UHFFFAOYSA-N 0 0 224.691 2.045 10 0 BEAERN Nc1ccc(CN(CC(F)(F)F)C2CC2)cn1 ZINC000050814785 181705569 /nfs/dbraw/zinc/70/55/69/181705569.db2.gz GYJKRWCGDIWNBD-UHFFFAOYSA-N 0 0 245.248 2.191 10 0 BEAERN Nc1ccc(Cl)c(COC[C@H]2CCOC2)c1 ZINC000049688845 181708248 /nfs/dbraw/zinc/70/82/48/181708248.db2.gz YIFXIDPJBLJDJV-VIFPVBQESA-N 0 0 241.718 2.475 10 0 BEAERN Nc1ccc(Cl)cc1NC(=O)C1CC1 ZINC000022149145 181710025 /nfs/dbraw/zinc/71/00/25/181710025.db2.gz HBIIBRRNWVZGHW-UHFFFAOYSA-N 0 0 210.664 2.271 10 0 BEAERN Nc1ccc(F)c(F)c1OC[C@@H]1CCCO1 ZINC000053168106 181711033 /nfs/dbraw/zinc/71/10/33/181711033.db2.gz NWHHBWHXYDCQRG-ZETCQYMHSA-N 0 0 229.226 2.105 10 0 BEAERN Nc1ccc(F)cc1N[C@@H]1CCCC[C@H]1O ZINC000052122188 181712318 /nfs/dbraw/zinc/71/23/18/181712318.db2.gz DMBGNUUFSYNRLN-ZYHUDNBSSA-N 0 0 224.279 2.123 10 0 BEAERN Nc1cccc(Cl)c1NCc1cn[nH]c1 ZINC000042358485 181744799 /nfs/dbraw/zinc/74/47/99/181744799.db2.gz QOLHZBHVBGVNQB-UHFFFAOYSA-N 0 0 222.679 2.257 10 0 BEAERN Nc1cccc(NC(=O)c2ccc(O)cc2)c1 ZINC000019400339 181745784 /nfs/dbraw/zinc/74/57/84/181745784.db2.gz QPZOSAYHBUHDHU-UHFFFAOYSA-N 0 0 228.251 2.227 10 0 BEAERN Nc1ccnn1-c1nc2ccccc2s1 ZINC000045237862 181765613 /nfs/dbraw/zinc/76/56/13/181765613.db2.gz KBFPXKLPVGTJLI-UHFFFAOYSA-N 0 0 216.269 2.064 10 0 BEAERN CCc1cc2c(ncnc2N2CC=CCN2)s1 ZINC000624417002 371505303 /nfs/dbraw/zinc/50/53/03/371505303.db2.gz MQARHFIBHWOSST-UHFFFAOYSA-N 0 0 246.339 2.135 10 0 BEAERN Nc1cnc(OCc2ccccc2Cl)nc1 ZINC000040456013 181768928 /nfs/dbraw/zinc/76/89/28/181768928.db2.gz KNSDUZVFHNIYTD-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN CC(C)CCN(C)C(=O)NCc1cscn1 ZINC000126316820 371512627 /nfs/dbraw/zinc/51/26/27/371512627.db2.gz DZLYMWJLVSUGDS-UHFFFAOYSA-N 0 0 241.360 2.331 10 0 BEAERN Nc1cnccc1SC[C@H]1CCCCO1 ZINC000037190011 181770572 /nfs/dbraw/zinc/77/05/72/181770572.db2.gz KVLGUTTUTXRACM-SECBINFHSA-N 0 0 224.329 2.325 10 0 BEAERN C[C@@H]1Sc2cc(F)cc(F)c2NC1=O ZINC000161730986 371556764 /nfs/dbraw/zinc/55/67/64/371556764.db2.gz FCULQEITAVZTQK-BYPYZUCNSA-N 0 0 215.224 2.398 10 0 BEAERN Nc1cnccc1SCC1CCOCC1 ZINC000052173100 181770816 /nfs/dbraw/zinc/77/08/16/181770816.db2.gz YAOGWHRGPCFDBZ-UHFFFAOYSA-N 0 0 224.329 2.183 10 0 BEAERN Nc1cccc2c1CCN(CC(F)(F)F)C2 ZINC000038032793 181749126 /nfs/dbraw/zinc/74/91/26/181749126.db2.gz AGJVNWUVONCETK-UHFFFAOYSA-N 0 0 230.233 2.189 10 0 BEAERN Nc1cccc2oc(-c3ccncc3)nc21 ZINC000071477716 181749927 /nfs/dbraw/zinc/74/99/27/181749927.db2.gz YMGWLLCUUOOFHP-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN Nc1ccccc1CCC(=O)Nc1ccncc1 ZINC000037222729 181754051 /nfs/dbraw/zinc/75/40/51/181754051.db2.gz GHKSUJAUWQLUJR-UHFFFAOYSA-N 0 0 241.294 2.235 10 0 BEAERN Nc1ccccc1Cn1cc(Cl)cn1 ZINC000038053303 181754766 /nfs/dbraw/zinc/75/47/66/181754766.db2.gz YTWIYIYUIWZFIG-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Nc1ccccc1OCc1cn2ccccc2n1 ZINC000019264561 181756868 /nfs/dbraw/zinc/75/68/68/181756868.db2.gz HIRHFYQFSSTTJB-UHFFFAOYSA-N 0 0 239.278 2.496 10 0 BEAERN Nc1ccccc1OCCc1ccncc1 ZINC000037995963 181757454 /nfs/dbraw/zinc/75/74/54/181757454.db2.gz CMKBLAMRWNTMAZ-UHFFFAOYSA-N 0 0 214.268 2.285 10 0 BEAERN Nc1ccccc1SCc1cc(=O)c(O)co1 ZINC000037034989 181758490 /nfs/dbraw/zinc/75/84/90/181758490.db2.gz BAACBFIKOWUTHK-UHFFFAOYSA-N 0 0 249.291 2.220 10 0 BEAERN Nc1cccnc1Oc1ccc2c(c1)OCO2 ZINC000019843535 181759344 /nfs/dbraw/zinc/75/93/44/181759344.db2.gz XICFGKMXHXKIEK-UHFFFAOYSA-N 0 0 230.223 2.185 10 0 BEAERN Cc1ccc(C(=O)Cc2cncs2)cn1 ZINC000161820024 371567038 /nfs/dbraw/zinc/56/70/38/371567038.db2.gz VKLOLPIMWGCJFU-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN Nc1nc(-c2cc(-c3ccoc3)ccn2)ns1 ZINC000067173739 181775612 /nfs/dbraw/zinc/77/56/12/181775612.db2.gz CUGRQSXFLATEML-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN Nc1nc(-c2ccsc2)cn2ccnc12 ZINC000044120760 181776941 /nfs/dbraw/zinc/77/69/41/181776941.db2.gz HUPSAUULIIJYQO-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CC(C)c1nc(=O)cc(C(F)(F)F)o1 ZINC000002559555 371583230 /nfs/dbraw/zinc/58/32/30/371583230.db2.gz FBQMWYQARFUTIZ-UHFFFAOYSA-N 0 0 207.151 2.177 10 0 BEAERN Nc1nc(C2CC2)nc2cccc(F)c12 ZINC000226769665 181781506 /nfs/dbraw/zinc/78/15/06/181781506.db2.gz IQPHLCQRBHXQIS-UHFFFAOYSA-N 0 0 203.220 2.229 10 0 BEAERN Cc1nc(C(=O)c2ccncc2F)cs1 ZINC000162019787 371600902 /nfs/dbraw/zinc/60/09/02/371600902.db2.gz FMMCRVDJMVUBHN-UHFFFAOYSA-N 0 0 222.244 2.217 10 0 BEAERN C[C@@H](CO)C[C@H]1Cc2ccccc2C1=O ZINC000162014333 371600998 /nfs/dbraw/zinc/60/09/98/371600998.db2.gz BIQLZCDKXODZOC-KOLCDFICSA-N 0 0 204.269 2.060 10 0 BEAERN Nc1ccccc1C(=O)Cc1ccco1 ZINC000162098085 371610304 /nfs/dbraw/zinc/61/03/04/371610304.db2.gz DHGRBQVDHAXNGE-UHFFFAOYSA-N 0 0 201.225 2.287 10 0 BEAERN COC(=O)c1c(N)cc(F)c(SC)c1F ZINC000131558270 371623374 /nfs/dbraw/zinc/62/33/74/371623374.db2.gz YJMLECQRFYMITB-UHFFFAOYSA-N 0 0 233.239 2.056 10 0 BEAERN CC(=O)c1ccc(Sc2nncs2)o1 ZINC000131586954 371629069 /nfs/dbraw/zinc/62/90/69/371629069.db2.gz KSRBWWLHKJUZSF-UHFFFAOYSA-N 0 0 226.282 2.485 10 0 BEAERN Nc1nc([C@H]2CCCc3ccccc32)no1 ZINC000063158539 181789399 /nfs/dbraw/zinc/78/93/99/181789399.db2.gz VKXFWABQILNVKP-JTQLQIEISA-N 0 0 215.256 2.120 10 0 BEAERN Nc1nc2ccccc2c2scnc21 ZINC000034568311 181794057 /nfs/dbraw/zinc/79/40/57/181794057.db2.gz QAYNDFKXOSVCGF-UHFFFAOYSA-N 0 0 201.254 2.427 10 0 BEAERN O=C(Nc1cccnc1Br)C1CC1 ZINC000226677303 371721328 /nfs/dbraw/zinc/72/13/28/371721328.db2.gz OGNDZZLBEBYDKT-UHFFFAOYSA-N 0 0 241.088 2.193 10 0 BEAERN Nc1cnc(NCCc2cccs2)s1 ZINC000226724076 371730889 /nfs/dbraw/zinc/73/08/89/371730889.db2.gz VGOPJRUDSLWXKV-UHFFFAOYSA-N 0 0 225.342 2.441 10 0 BEAERN Nc1cnc(NC[C@@H]2CCCCS2)s1 ZINC000226748495 371734792 /nfs/dbraw/zinc/73/47/92/371734792.db2.gz QQGZIKQXKDUYSH-ZETCQYMHSA-N 0 0 229.374 2.423 10 0 BEAERN C[C@@H]1CCCCCN1c1ncc(N)s1 ZINC000226744057 371735666 /nfs/dbraw/zinc/73/56/66/371735666.db2.gz QMANPDPBNYVKHW-MRVPVSSYSA-N 0 0 211.334 2.494 10 0 BEAERN CCN(C)c1nc(N)c(Cl)cc1Cl ZINC000226561662 371698899 /nfs/dbraw/zinc/69/88/99/371698899.db2.gz FWASYEOVZYQDDM-UHFFFAOYSA-N 0 0 220.103 2.427 10 0 BEAERN NC1(C(=O)c2occc2Br)CCC1 ZINC000226779880 371743191 /nfs/dbraw/zinc/74/31/91/371743191.db2.gz WAVPYGPGDZZMPL-UHFFFAOYSA-N 0 0 244.088 2.106 10 0 BEAERN C[C@@H]1CC[C@H](O)[C@@H](Cc2cncs2)C1 ZINC000226782307 371744415 /nfs/dbraw/zinc/74/44/15/371744415.db2.gz IPHKZLWICSYNIW-KKZNHRDASA-N 0 0 211.330 2.483 10 0 BEAERN C[C@H]1CN(c2ccc(C=O)s2)[C@@H](C)CO1 ZINC000226899978 371755386 /nfs/dbraw/zinc/75/53/86/371755386.db2.gz FZOBWULBKKJWMR-IUCAKERBSA-N 0 0 225.313 2.174 10 0 BEAERN CC1(C)C[C@@H](n2cnnc2Cl)CCO1 ZINC000216446633 371755861 /nfs/dbraw/zinc/75/58/61/371755861.db2.gz XYVIYYMHCADKQV-ZETCQYMHSA-N 0 0 215.684 2.062 10 0 BEAERN CC[C@H]1Nc2ncnc(Cl)c2O[C@H]1C ZINC000132209386 371766770 /nfs/dbraw/zinc/76/67/70/371766770.db2.gz NRZCLBMVCWLTTL-NTSWFWBYSA-N 0 0 213.668 2.101 10 0 BEAERN C[C@@H]1CC[C@@H](C)[C@](CC(=O)[O-])([NH+](C)C)C1 ZINC000227058130 371775972 /nfs/dbraw/zinc/77/59/72/371775972.db2.gz UOVFWFJDWVMTJZ-FOGDFJRCSA-N 0 0 213.321 2.218 10 0 BEAERN CC[C@H](c1ccc(O)cc1)N1CCOCC1 ZINC000132450004 371826384 /nfs/dbraw/zinc/82/63/84/371826384.db2.gz QMEGLCDTFVKRFL-CYBMUJFWSA-N 0 0 221.300 2.176 10 0 BEAERN O=C1COc2c(Cl)cc(Cl)cc2C1 ZINC000227300147 371826914 /nfs/dbraw/zinc/82/69/14/371826914.db2.gz IIWLVVGGOBRERN-UHFFFAOYSA-N 0 0 217.051 2.497 10 0 BEAERN C[C@@H]1CCO[C@@H]1c1nc(Cl)ns1 ZINC000230114037 371853882 /nfs/dbraw/zinc/85/38/82/371853882.db2.gz YSVUGNIZSVIOOT-UHNVWZDZSA-N 0 0 204.682 2.289 10 0 BEAERN C[C@H](O)c1ccc(Br)cc1O ZINC000230137133 371859393 /nfs/dbraw/zinc/85/93/93/371859393.db2.gz QFCDBRJMXYPUIG-YFKPBYRVSA-N 0 0 217.062 2.208 10 0 BEAERN CC(C)(Br)C(=O)N[C@@H]1CC1(C)C ZINC000162759529 371840595 /nfs/dbraw/zinc/84/05/95/371840595.db2.gz HIEUUBJRCMFYBT-ZCFIWIBFSA-N 0 0 234.137 2.075 10 0 BEAERN CCc1nc(I)oc1C ZINC000230399882 371902634 /nfs/dbraw/zinc/90/26/34/371902634.db2.gz VYYQQQHOGREGOI-UHFFFAOYSA-N 0 0 237.040 2.150 10 0 BEAERN Ic1nc(C2CC2)co1 ZINC000230399917 371902642 /nfs/dbraw/zinc/90/26/42/371902642.db2.gz ZXJKITKYJBZZPI-UHFFFAOYSA-N 0 0 235.024 2.157 10 0 BEAERN Fc1cc(NC[C@H]2CCCCO2)ccn1 ZINC000227642668 371913075 /nfs/dbraw/zinc/91/30/75/371913075.db2.gz KPVZZXASQRJXGY-SNVBAGLBSA-N 0 0 210.252 2.202 10 0 BEAERN Fc1cc(Sc2ncns2)ccn1 ZINC000227647389 371913802 /nfs/dbraw/zinc/91/38/02/371913802.db2.gz MUIMXKQYJQJGIH-UHFFFAOYSA-N 0 0 213.262 2.223 10 0 BEAERN Fc1cc(Sc2cnccn2)ccn1 ZINC000227647240 371914084 /nfs/dbraw/zinc/91/40/84/371914084.db2.gz WNNDKTZEEDDKMA-UHFFFAOYSA-N 0 0 207.233 2.162 10 0 BEAERN Fc1cc(Sc2nncs2)ccn1 ZINC000227646986 371914799 /nfs/dbraw/zinc/91/47/99/371914799.db2.gz XAUNPZOSJKBWCS-UHFFFAOYSA-N 0 0 213.262 2.223 10 0 BEAERN Cc1cc(Sc2ccnc(F)c2)n(C)n1 ZINC000227647159 371914900 /nfs/dbraw/zinc/91/49/00/371914900.db2.gz GVARSZYDJLDKLK-UHFFFAOYSA-N 0 0 223.276 2.414 10 0 BEAERN C[C@H]1OCC[C@H]1N(C)c1ccnc(Cl)c1 ZINC000227688477 371922422 /nfs/dbraw/zinc/92/24/22/371922422.db2.gz HOQMLKQNNKAAGO-PSASIEDQSA-N 0 0 226.707 2.349 10 0 BEAERN C[C@@]1([C@H](NN)c2ccoc2)CCCS1 ZINC000132995736 371966325 /nfs/dbraw/zinc/96/63/25/371966325.db2.gz DPQDIMLIEKXJCK-ZJUUUORDSA-N 0 0 212.318 2.070 10 0 BEAERN COCCNc1cnc(Cl)cc1C ZINC000306155580 371993207 /nfs/dbraw/zinc/99/32/07/371993207.db2.gz KXNPHCXOYJEGRF-UHFFFAOYSA-N 0 0 200.669 2.102 10 0 BEAERN Nc1ccccc1C(=O)Cc1cncs1 ZINC000163475121 371999735 /nfs/dbraw/zinc/99/97/35/371999735.db2.gz OOWSWMSIPRLTAU-UHFFFAOYSA-N 0 0 218.281 2.151 10 0 BEAERN NNCc1cc(Br)c(Cl)s1 ZINC000227893400 371954806 /nfs/dbraw/zinc/95/48/06/371954806.db2.gz CRJRRFGGNQPESR-UHFFFAOYSA-N 0 0 241.541 2.127 10 0 BEAERN Cc1sccc1C(=O)c1csnn1 ZINC000227885933 371955024 /nfs/dbraw/zinc/95/50/24/371955024.db2.gz BTDPOHOQVOTNSA-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN OCc1sc(NC2CCC2)nc1Cl ZINC000306372639 372016079 /nfs/dbraw/zinc/01/60/79/372016079.db2.gz JTKSKJQPCPNNCT-UHFFFAOYSA-N 0 0 218.709 2.253 10 0 BEAERN Cc1ccc(Br)c2c1OCC2=O ZINC000228357389 372018174 /nfs/dbraw/zinc/01/81/74/372018174.db2.gz KVIMSTNNTQHAEH-UHFFFAOYSA-N 0 0 227.057 2.333 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Oc1ccc(F)nc1 ZINC000306426162 372018379 /nfs/dbraw/zinc/01/83/79/372018379.db2.gz KDGAMBNFVGQBJB-ZJUUUORDSA-N 0 0 211.236 2.167 10 0 BEAERN Cc1ccc(Br)c2c1OC[C@@H]2O ZINC000228395404 372023883 /nfs/dbraw/zinc/02/38/83/372023883.db2.gz XCUBXCTUTAXVAI-ZETCQYMHSA-N 0 0 229.073 2.183 10 0 BEAERN C[C@@H]1CCN(c2nc(Cl)ccc2N)C1 ZINC000228441439 372029182 /nfs/dbraw/zinc/02/91/82/372029182.db2.gz ITYXEJIXCDKCBZ-SSDOTTSWSA-N 0 0 211.696 2.163 10 0 BEAERN COC(=O)c1cc(O)cc(Br)c1F ZINC000306553376 372035938 /nfs/dbraw/zinc/03/59/38/372035938.db2.gz BGBJLZQNJLIAFM-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN Clc1ccc(C2OCCO2)c(Cl)n1 ZINC000217985593 372040731 /nfs/dbraw/zinc/04/07/31/372040731.db2.gz RBOVJOGDVPQCMM-UHFFFAOYSA-N 0 0 220.055 2.434 10 0 BEAERN O=C1OCC[C@H]1Nc1ccccc1Cl ZINC000306676581 372054049 /nfs/dbraw/zinc/05/40/49/372054049.db2.gz WNDDFUBZCDNWFA-SECBINFHSA-N 0 0 211.648 2.067 10 0 BEAERN CC(C)CN1C(=S)N=NC1[C@@H]1C[C@@H]1C ZINC000228212626 372004869 /nfs/dbraw/zinc/00/48/69/372004869.db2.gz QCQXXJHGFIAYFR-JGVFFNPUSA-N 0 0 211.334 2.346 10 0 BEAERN C[C@H]1C[C@@H]1C1N=NC(=S)N1C(C)(C)C ZINC000228210636 372004893 /nfs/dbraw/zinc/00/48/93/372004893.db2.gz XBTOCRYAEWGJBA-BQBZGAKWSA-N 0 0 211.334 2.445 10 0 BEAERN Cn1cnnc1-c1cc(Cl)ccc1F ZINC000228238630 372007591 /nfs/dbraw/zinc/00/75/91/372007591.db2.gz FHXIWLOFEATCDN-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN Cc1c(Cl)nc(Cn2cccn2)nc1Cl ZINC000306880985 372074716 /nfs/dbraw/zinc/07/47/16/372074716.db2.gz LGNAQNBXNAWXCG-UHFFFAOYSA-N 0 0 243.097 2.337 10 0 BEAERN O=C(CO)c1cccc(Cl)c1Cl ZINC000228759753 372077640 /nfs/dbraw/zinc/07/76/40/372077640.db2.gz ZFAZGKAPTDNLEO-UHFFFAOYSA-N 0 0 205.040 2.168 10 0 BEAERN CN(C)c1nc(Cl)nc2sccc21 ZINC000228776492 372079032 /nfs/dbraw/zinc/07/90/32/372079032.db2.gz CBTFCTLIHFFUEF-UHFFFAOYSA-N 0 0 213.693 2.411 10 0 BEAERN C[C@@H]1C[C@@H](NC2N=NC(=S)S2)[C@@H]1C ZINC000307103801 372086921 /nfs/dbraw/zinc/08/69/21/372086921.db2.gz BWHOWAUBXCLBMK-HSUXUTPPSA-N 0 0 215.347 2.283 10 0 BEAERN CC(C)c1ncn([C@@H]2CCCC(=O)C2)n1 ZINC000307115944 372087967 /nfs/dbraw/zinc/08/79/67/372087967.db2.gz DVAIJOUDVOEBDE-SECBINFHSA-N 0 0 207.277 2.086 10 0 BEAERN CCC1CC(c2cc(=O)[nH]c(COC)n2)C1 ZINC000606302621 372091968 /nfs/dbraw/zinc/09/19/68/372091968.db2.gz GRBMFLZREUXHME-UHFFFAOYSA-N 0 0 222.288 2.232 10 0 BEAERN COC(=O)[C@@H]1C[C@H](F)C[C@@H](C(F)(F)F)C1 ZINC000606303265 372093504 /nfs/dbraw/zinc/09/35/04/372093504.db2.gz CQNHNRQHWAWXLK-ACZMJKKPSA-N 0 0 228.185 2.476 10 0 BEAERN C[C@H]1O[C@@H](C)Cc2[nH]c(=S)sc21 ZINC000133719986 372095074 /nfs/dbraw/zinc/09/50/74/372095074.db2.gz GCHXFGVZWXZIOO-CRCLSJGQSA-N 0 0 201.316 2.454 10 0 BEAERN O=C(c1ccc[nH]1)[C@@H]1CSCCS1 ZINC000307643331 372134739 /nfs/dbraw/zinc/13/47/39/372134739.db2.gz OUECQZQLLDMMSZ-QMMMGPOBSA-N 0 0 213.327 2.046 10 0 BEAERN CC(C)C1(NC2N=NC(=S)S2)CC1 ZINC000307647431 372136541 /nfs/dbraw/zinc/13/65/41/372136541.db2.gz DXSZYPYAOLRTIZ-UHFFFAOYSA-N 0 0 215.347 2.427 10 0 BEAERN CN(C)Nc1cc(F)c(Br)cc1N ZINC000133944107 372138014 /nfs/dbraw/zinc/13/80/14/372138014.db2.gz VNAYGVWVGUFYBL-UHFFFAOYSA-N 0 0 248.099 2.059 10 0 BEAERN CC(=O)OCC(=O)c1cc(C)cc(C)c1 ZINC000164383956 372144101 /nfs/dbraw/zinc/14/41/01/372144101.db2.gz AZGZHPCPYCEQSA-UHFFFAOYSA-N 0 0 206.241 2.049 10 0 BEAERN COc1ccc2c(c1)[C@H]([C@H](C)CNC(C)=O)CC2 ZINC000059203661 372149705 /nfs/dbraw/zinc/14/97/05/372149705.db2.gz VJGZYRXNBVKENO-YGRLFVJLSA-N 0 0 247.338 2.497 10 0 BEAERN Cc1cc(I)ccc1C=O ZINC000059193500 372149839 /nfs/dbraw/zinc/14/98/39/372149839.db2.gz IAJATDISOYWBTR-UHFFFAOYSA-N 0 0 246.047 2.412 10 0 BEAERN CN(C)NCc1ccc(Br)cc1 ZINC000134047598 372151444 /nfs/dbraw/zinc/15/14/44/372151444.db2.gz PRDWVIQTMFKVPK-UHFFFAOYSA-N 0 0 229.121 2.015 10 0 BEAERN CC(C)[C@@H](O)[C@H](O)c1ccc(Cl)cc1 ZINC000232722087 372156682 /nfs/dbraw/zinc/15/66/82/372156682.db2.gz XISOASBFYUVDJN-GHMZBOCLSA-N 0 0 214.692 2.390 10 0 BEAERN Oc1ccc2ncc(NC[C@@H]3CCOC3)cc2c1 ZINC000218826501 372156831 /nfs/dbraw/zinc/15/68/31/372156831.db2.gz VFEJXKXPQJCPOM-JTQLQIEISA-N 0 0 244.294 2.389 10 0 BEAERN Oc1ccc2ncc(N[C@H]3CCOC3)cc2c1 ZINC000218844457 372159487 /nfs/dbraw/zinc/15/94/87/372159487.db2.gz ZOEDWXLMYPPWDX-JTQLQIEISA-N 0 0 230.267 2.141 10 0 BEAERN CC1CCC(O)(C(=O)c2ccoc2)CC1 ZINC000232827030 372165569 /nfs/dbraw/zinc/16/55/69/372165569.db2.gz NRYQOXYMJJDIFN-UHFFFAOYSA-N 0 0 208.257 2.404 10 0 BEAERN Nc1ccc(NC(=O)C(F)(F)F)cc1Cl ZINC000229559706 372166356 /nfs/dbraw/zinc/16/63/56/372166356.db2.gz VJDIYNFLGZEODL-UHFFFAOYSA-N 0 0 238.596 2.423 10 0 BEAERN C[C@@H](NN(C)C)c1cc(F)cc(F)c1 ZINC000134186610 372176285 /nfs/dbraw/zinc/17/62/85/372176285.db2.gz HXGOIWNTOXWMIW-SSDOTTSWSA-N 0 0 200.232 2.092 10 0 BEAERN COCC(=O)c1ccc(OC(F)F)cc1 ZINC000229179346 372125583 /nfs/dbraw/zinc/12/55/83/372125583.db2.gz DQPUMQBVQMBJDK-UHFFFAOYSA-N 0 0 216.183 2.117 10 0 BEAERN CN(C)NCc1ccc(F)c(Cl)c1 ZINC000134209012 372179771 /nfs/dbraw/zinc/17/97/71/372179771.db2.gz WIVUOQXGWYYQTM-UHFFFAOYSA-N 0 0 202.660 2.045 10 0 BEAERN CCCSc1cc(Cl)nc2ncnn21 ZINC000229769179 372191419 /nfs/dbraw/zinc/19/14/19/372191419.db2.gz RLEKJTYMBBCIHC-UHFFFAOYSA-N 0 0 228.708 2.280 10 0 BEAERN C[C@@H](Nc1ccnn1C)c1cscn1 ZINC000134296876 372193281 /nfs/dbraw/zinc/19/32/81/372193281.db2.gz LXNQIGZVVWLHCC-SSDOTTSWSA-N 0 0 208.290 2.050 10 0 BEAERN Cc1cccc([C@H](NN)C(F)F)c1C ZINC000229799952 372193938 /nfs/dbraw/zinc/19/39/38/372193938.db2.gz MVRYGQGILSIDHI-VIFPVBQESA-N 0 0 200.232 2.073 10 0 BEAERN O=C1CC[C@H](Cc2cccc(Cl)c2)N1 ZINC000134322821 372196332 /nfs/dbraw/zinc/19/63/32/372196332.db2.gz SGHUIFPJIOYRBT-SNVBAGLBSA-N 0 0 209.676 2.161 10 0 BEAERN NN[C@@H](c1ccc(F)cc1)C(F)(F)Cl ZINC000229808129 372196472 /nfs/dbraw/zinc/19/64/72/372196472.db2.gz UIKIMIYYRBKCOC-ZETCQYMHSA-N 0 0 224.613 2.162 10 0 BEAERN FC(F)(F)CON=C1CCCCCN1 ZINC000134339271 372197441 /nfs/dbraw/zinc/19/74/41/372197441.db2.gz SROAFUAUYXBBBB-UHFFFAOYSA-N 0 0 210.199 2.042 10 0 BEAERN Cc1ccsc1C[C@]1(C)CCC(=O)N1 ZINC000134330498 372197671 /nfs/dbraw/zinc/19/76/71/372197671.db2.gz QCVIGGZGYQNKLV-NSHDSACASA-N 0 0 209.314 2.268 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1cccnc1Cl ZINC000134383688 372201603 /nfs/dbraw/zinc/20/16/03/372201603.db2.gz DYKKOWXWANAFQW-HTQZYQBOSA-N 0 0 212.680 2.324 10 0 BEAERN Cc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000171071472 372290663 /nfs/dbraw/zinc/29/06/63/372290663.db2.gz OFEGVKHGLSBUMF-DMDPSCGWSA-N 0 0 233.311 2.287 10 0 BEAERN COc1cccc([C@H](C)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000171046314 372273599 /nfs/dbraw/zinc/27/35/99/372273599.db2.gz FDBTTXZVSWWHEQ-OUJBWJOFSA-N 0 0 233.311 2.323 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc2c1CCC2 ZINC000171045657 372273730 /nfs/dbraw/zinc/27/37/30/372273730.db2.gz OCJWSCYRVZRGCY-TVQRCGJNSA-N 0 0 215.296 2.314 10 0 BEAERN CC[C@]1(O)CCCN(c2nccnc2C(C)C)C1 ZINC000631487654 372392113 /nfs/dbraw/zinc/39/21/13/372392113.db2.gz YGXBSGQFRTYHQN-AWEZNQCLSA-N 0 0 249.358 2.341 10 0 BEAERN O=C(CCCO)Nc1ccccc1Cl ZINC000041227226 181911903 /nfs/dbraw/zinc/91/19/03/181911903.db2.gz VBGYPIKTQLQYQN-UHFFFAOYSA-N 0 0 213.664 2.051 10 0 BEAERN O=C(CC[C@@H]1CCCO1)Nc1ccccc1CO ZINC000049361918 181923051 /nfs/dbraw/zinc/92/30/51/181923051.db2.gz XOSFJJFHJUGBLO-LBPRGKRZSA-N 0 0 249.310 2.077 10 0 BEAERN O=C(CNc1ccccc1)Nc1cccc(O)c1 ZINC000040495352 181982573 /nfs/dbraw/zinc/98/25/73/181982573.db2.gz KXDGMMCQYLVNRQ-UHFFFAOYSA-N 0 0 242.278 2.443 10 0 BEAERN Cc1cccc(C(F)(F)F)c1C(N)=O ZINC000140979097 372845187 /nfs/dbraw/zinc/84/51/87/372845187.db2.gz VYTCZTFMFJDZKT-UHFFFAOYSA-N 0 0 203.163 2.113 10 0 BEAERN O=C(C[C@@H](O)c1ccccc1)Nc1cccnc1 ZINC000013162887 182012544 /nfs/dbraw/zinc/01/25/44/182012544.db2.gz KWKVWKYRHCFRNY-CYBMUJFWSA-N 0 0 242.278 2.144 10 0 BEAERN CCCCCn1c(=O)oc(=O)c2cccc(C)c21 ZINC000039287817 372930383 /nfs/dbraw/zinc/93/03/83/372930383.db2.gz DZPSVGAADMDPII-UHFFFAOYSA-N 0 0 247.294 2.453 10 0 BEAERN CCCN1C(=O)C(=O)c2cccc(Cl)c21 ZINC000039288013 372931931 /nfs/dbraw/zinc/93/19/31/372931931.db2.gz UDUOSBUNRVMJQL-UHFFFAOYSA-N 0 0 223.659 2.279 10 0 BEAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cn[nH]c1 ZINC000035237644 182031986 /nfs/dbraw/zinc/03/19/86/182031986.db2.gz QMKZLKUPKKDFJG-IVZWLZJFSA-N 0 0 219.288 2.175 10 0 BEAERN CCCCNC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082697331 168837952 /nfs/dbraw/zinc/83/79/52/168837952.db2.gz HCCVZJBWYPBIGM-UHFFFAOYSA-N 0 0 234.343 2.463 10 0 BEAERN O=C(Cc1nc(C2CCCCC2)no1)C(F)F ZINC000104063989 182061822 /nfs/dbraw/zinc/06/18/22/182061822.db2.gz ONTTVZBZNFAELD-UHFFFAOYSA-N 0 0 244.241 2.494 10 0 BEAERN CCCCN1Cc2cc(N)ccc2C1=O ZINC000141815993 373044975 /nfs/dbraw/zinc/04/49/75/373044975.db2.gz HQCXEJCRNPPLQB-UHFFFAOYSA-N 0 0 204.273 2.025 10 0 BEAERN Cc1ccc(C2=[N+]([O-])[C@@H](C)N(O)C2(C)C)cc1 ZINC000142017696 373091197 /nfs/dbraw/zinc/09/11/97/373091197.db2.gz MOCRCTQDCNVKHC-SNVBAGLBSA-N 0 0 235.307 2.015 10 0 BEAERN CN(c1cccc(Br)n1)C1CC1 ZINC000069017552 373106158 /nfs/dbraw/zinc/10/61/58/373106158.db2.gz AIXTUFXGGJSKLI-UHFFFAOYSA-N 0 0 227.105 2.443 10 0 BEAERN CC(=O)c1ccccc1-c1ccnn1C ZINC000069020247 373106390 /nfs/dbraw/zinc/10/63/90/373106390.db2.gz CDNUTMRXSLRYMP-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN CCn1ccnc1-c1cccc(C=O)c1 ZINC000069030753 373109228 /nfs/dbraw/zinc/10/92/28/373109228.db2.gz JFXGVJBSAMXGGY-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN COCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000040175786 373115320 /nfs/dbraw/zinc/11/53/20/373115320.db2.gz XNQZLMIXPXFWOF-UHFFFAOYSA-N 0 0 223.663 2.272 10 0 BEAERN CCOc1cncc(I)c1 ZINC000141937239 373072248 /nfs/dbraw/zinc/07/22/48/373072248.db2.gz HXTSBDBQQNXSEF-UHFFFAOYSA-N 0 0 249.051 2.085 10 0 BEAERN Cc1c(O)cc(Br)cc1O ZINC000142297301 373156669 /nfs/dbraw/zinc/15/66/69/373156669.db2.gz OOIHSWTYMPGAQN-UHFFFAOYSA-N 0 0 203.035 2.169 10 0 BEAERN O=C(N1C[C@@H]2CCCCC[C@@H]21)C(F)(F)F ZINC000378078562 182083276 /nfs/dbraw/zinc/08/32/76/182083276.db2.gz OMSLNICPMAUDEN-YUMQZZPRSA-N 0 0 221.222 2.340 10 0 BEAERN O=C(NC1CCCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000005382480 182110460 /nfs/dbraw/zinc/11/04/60/182110460.db2.gz QILTXGAQJHOBPF-HOSYDEDBSA-N 0 0 207.317 2.481 10 0 BEAERN C=CC(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040518939 373421219 /nfs/dbraw/zinc/42/12/19/373421219.db2.gz BQXNYBHZOZTEFJ-ZETCQYMHSA-N 0 0 210.302 2.123 10 0 BEAERN CCC1(C(=O)N[C@H](C)[C@@H]2CCCO2)CCC1 ZINC000176679066 205592492 /nfs/dbraw/zinc/59/24/92/205592492.db2.gz OGAROVIPHFSFBB-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN COC(=O)[C@H](N)Cc1cc(Cl)cc(Cl)c1 ZINC000069554708 373457815 /nfs/dbraw/zinc/45/78/15/373457815.db2.gz IFHLRMPUKNNUMM-SECBINFHSA-N 0 0 248.109 2.036 10 0 BEAERN O=C(NCC1CC1)N1C[C@H]2CCCCC[C@@H]21 ZINC000371906086 182138869 /nfs/dbraw/zinc/13/88/69/182138869.db2.gz OCYXYUBQQOZBSF-NEPJUHHUSA-N 0 0 222.332 2.371 10 0 BEAERN O=C(NCCC1=CCCC1)NCc1ccccn1 ZINC000126473221 182151465 /nfs/dbraw/zinc/15/14/65/182151465.db2.gz ITFWWMRWENVHEV-UHFFFAOYSA-N 0 0 245.326 2.381 10 0 BEAERN Cc1cccc(C(=O)N2CC[C@@H](O)C[C@H]2C)c1C ZINC000633867966 373826940 /nfs/dbraw/zinc/82/69/40/373826940.db2.gz UPTWGSCLEGPSHR-DGCLKSJQSA-N 0 0 247.338 2.289 10 0 BEAERN O=C(NCC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000037982437 182201682 /nfs/dbraw/zinc/20/16/82/182201682.db2.gz YDLYVORUMJPLHM-GFCCVEGCSA-N 0 0 237.274 2.125 10 0 BEAERN O=C(NCC[C@H]1CCCO1)c1ccccc1F ZINC000037982441 182202042 /nfs/dbraw/zinc/20/20/42/182202042.db2.gz TZHVVEGBSNLHCY-SNVBAGLBSA-N 0 0 237.274 2.125 10 0 BEAERN CCc1nn(C(C)C)c(Cl)c1C=O ZINC000040926600 373926319 /nfs/dbraw/zinc/92/63/19/373926319.db2.gz ZXPSEQRBPXOBSH-UHFFFAOYSA-N 0 0 200.669 2.492 10 0 BEAERN CC[S@](=O)Cc1cc(N)ccc1Cl ZINC000040965690 373966680 /nfs/dbraw/zinc/96/66/80/373966680.db2.gz XAZITLMVFPFZOV-CYBMUJFWSA-N 0 0 217.721 2.191 10 0 BEAERN CCC[C@H]1C[C@](N)(C(F)(F)F)CCO1 ZINC000069899952 373974250 /nfs/dbraw/zinc/97/42/50/373974250.db2.gz KABYYIVOPVSNOF-YUMQZZPRSA-N 0 0 211.227 2.225 10 0 BEAERN O=C1N=NC(c2sccc2Br)O1 ZINC000070030754 374109740 /nfs/dbraw/zinc/10/97/40/374109740.db2.gz HDIFNXITQHVMGJ-UHFFFAOYSA-N 0 0 247.073 2.266 10 0 BEAERN Cc1nn(-c2ccnc(Cl)n2)cc1Cl ZINC000070704001 374180555 /nfs/dbraw/zinc/18/05/55/374180555.db2.gz RLWIWBRUMBEURF-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN C[C@H](Nc1cccnn1)c1nccs1 ZINC000070634729 374168247 /nfs/dbraw/zinc/16/82/47/374168247.db2.gz COGQHITZCJPKTD-ZETCQYMHSA-N 0 0 206.274 2.106 10 0 BEAERN Cc1cc(C(=O)c2ccc[nH]2)ccc1N ZINC000070671505 374171785 /nfs/dbraw/zinc/17/17/85/374171785.db2.gz LMRHUDCINSMKPI-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN Nc1ccc(C(=O)c2cc[nH]c2)c(Cl)c1 ZINC000070671560 374173851 /nfs/dbraw/zinc/17/38/51/374173851.db2.gz PMORODRJEYQINV-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN Cc1nn([C@H](C)CC(N)=S)cc1Cl ZINC000070689366 374176582 /nfs/dbraw/zinc/17/65/82/374176582.db2.gz ZJQOOVVDWQTLHR-RXMQYKEDSA-N 0 0 217.725 2.082 10 0 BEAERN Nc1nsc(-c2c(F)cccc2F)n1 ZINC000070838780 374198252 /nfs/dbraw/zinc/19/82/52/374198252.db2.gz XKNVQMOTKMPFKF-UHFFFAOYSA-N 0 0 213.212 2.066 10 0 BEAERN C[C@@H]1CC[C@](C(=O)[O-])([NH+]2CCCCC2)C1 ZINC000070766158 374189876 /nfs/dbraw/zinc/18/98/76/374189876.db2.gz SCZIHGYDBVDTFH-PWSUYJOCSA-N 0 0 211.305 2.116 10 0 BEAERN CC(=O)OCC(=O)c1ccc(C)c(Cl)c1 ZINC000382680675 374256650 /nfs/dbraw/zinc/25/66/50/374256650.db2.gz AUCXOIFBDIJJNO-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN CCOC(=O)c1nc2c(s1)CSCC2 ZINC000042335379 374260671 /nfs/dbraw/zinc/26/06/71/374260671.db2.gz BUWKGBKOEAAOES-UHFFFAOYSA-N 0 0 229.326 2.109 10 0 BEAERN Cn1cc(Sc2ccc(Cl)nn2)cn1 ZINC000042406337 374267078 /nfs/dbraw/zinc/26/70/78/374267078.db2.gz MYYAVJUTXJTKGR-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN Cn1cc(S[C@H]2CCCCC2=O)cn1 ZINC000042406523 374267464 /nfs/dbraw/zinc/26/74/64/374267464.db2.gz AQKGWCNGEZRXGK-JTQLQIEISA-N 0 0 210.302 2.024 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1O ZINC000144049456 374270398 /nfs/dbraw/zinc/27/03/98/374270398.db2.gz CBZNOKAFOMSSLW-BBBLOLIVSA-N 0 0 229.320 2.061 10 0 BEAERN O=C1CCCC[C@@H]1c1nc(C2CC2)no1 ZINC000070996882 374238893 /nfs/dbraw/zinc/23/88/93/374238893.db2.gz WNPGUDIVYUWOIB-QMMMGPOBSA-N 0 0 206.245 2.174 10 0 BEAERN CC(C)n1nc(C2CC2)c(CO)c1Cl ZINC000071006653 374240977 /nfs/dbraw/zinc/24/09/77/374240977.db2.gz LPZSTJXYTZUKMD-UHFFFAOYSA-N 0 0 214.696 2.487 10 0 BEAERN O=C(NCc1cscn1)C(C1CC1)C1CC1 ZINC000120634354 182270354 /nfs/dbraw/zinc/27/03/54/182270354.db2.gz UBICEYCGCYTIKX-UHFFFAOYSA-N 0 0 236.340 2.196 10 0 BEAERN COC(=O)CCCC(=O)c1ccc2c(c1)CCO2 ZINC000144591714 374320087 /nfs/dbraw/zinc/32/00/87/374320087.db2.gz QSPCWSIQDLSVAJ-UHFFFAOYSA-N 0 0 248.278 2.148 10 0 BEAERN O=C(NOCC1CCCCC1)c1ccns1 ZINC000042750577 182283495 /nfs/dbraw/zinc/28/34/95/182283495.db2.gz AKOVKONYSFSPGO-UHFFFAOYSA-N 0 0 240.328 2.385 10 0 BEAERN O=C(N[C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000135938939 182292128 /nfs/dbraw/zinc/29/21/28/182292128.db2.gz PEVHYEZIGYHMOB-CHWSQXEVSA-N 0 0 233.311 2.110 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1CCCCCC1 ZINC000053715413 182292491 /nfs/dbraw/zinc/29/24/91/182292491.db2.gz HFPSRZBHVIKZII-OLZOCXBDSA-N 0 0 239.359 2.377 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1CC=CCC1 ZINC000151020946 182292546 /nfs/dbraw/zinc/29/25/46/182292546.db2.gz NLXXWXDSJJLEGU-YNEHKIRRSA-N 0 0 237.343 2.010 10 0 BEAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@@H]1CCCO1 ZINC000049352592 182312384 /nfs/dbraw/zinc/31/23/84/182312384.db2.gz DDUSJOMASJUXSJ-OLZOCXBDSA-N 0 0 249.285 2.108 10 0 BEAERN O=C(N[C@H]1CNc2ccccc2C1)C1CCCC1 ZINC000019402222 182342464 /nfs/dbraw/zinc/34/24/64/182342464.db2.gz LMIWZFQLZPVBKV-CYBMUJFWSA-N 0 0 244.338 2.330 10 0 BEAERN O=C(Nc1cccnc1)c1ccc2c[nH]nc2c1 ZINC000060393754 182383926 /nfs/dbraw/zinc/38/39/26/182383926.db2.gz NKYNLPJCPOYFGJ-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1ncc[nH]1)C1(c2ccccc2)CCC1 ZINC000104101707 182399235 /nfs/dbraw/zinc/39/92/35/182399235.db2.gz UTGBHMOZCWZLEL-UHFFFAOYSA-N 0 0 241.294 2.470 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000070603210 182512258 /nfs/dbraw/zinc/51/22/58/182512258.db2.gz TZMMKWUPFKRTIH-NEPJUHHUSA-N 0 0 225.332 2.410 10 0 BEAERN CCOC(=O)C(C)(C)NCC1CCCC1 ZINC000121530888 170187348 /nfs/dbraw/zinc/18/73/48/170187348.db2.gz FBRLIUXUXWOAHN-UHFFFAOYSA-N 0 0 213.321 2.108 10 0 BEAERN O=C([O-])[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000070603207 182537537 /nfs/dbraw/zinc/53/75/37/182537537.db2.gz TZMMKWUPFKRTIH-RYUDHWBXSA-N 0 0 225.332 2.410 10 0 BEAERN O=C(OCc1ccccc1)n1ccc(=O)cc1 ZINC000002546093 182604914 /nfs/dbraw/zinc/60/49/14/182604914.db2.gz ZCCHQJQTIZQDDF-UHFFFAOYSA-N 0 0 229.235 2.033 10 0 BEAERN O=C(c1ccc(Cl)s1)N1CCCO1 ZINC000125423399 182659715 /nfs/dbraw/zinc/65/97/15/182659715.db2.gz YWTNAEZCQOKVAI-UHFFFAOYSA-N 0 0 217.677 2.179 10 0 BEAERN O=C(c1ccc(F)cc1)N1CCCSCC1 ZINC000042294557 182660645 /nfs/dbraw/zinc/66/06/45/182660645.db2.gz XPUHERZUVHRTAU-UHFFFAOYSA-N 0 0 239.315 2.405 10 0 BEAERN O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000362841531 182663169 /nfs/dbraw/zinc/66/31/69/182663169.db2.gz VFBAHMVAAPBZDZ-NEPJUHHUSA-N 0 0 246.310 2.192 10 0 BEAERN O=C(c1ccco1)n1ncc2ccccc21 ZINC000169345617 182686376 /nfs/dbraw/zinc/68/63/76/182686376.db2.gz JGLZRXWJHNPMJA-UHFFFAOYSA-N 0 0 212.208 2.318 10 0 BEAERN O=C(c1ccco1)c1cnc2ccccc2n1 ZINC000000339580 182698661 /nfs/dbraw/zinc/69/86/61/182698661.db2.gz UYTWIBFCGCEDQO-UHFFFAOYSA-N 0 0 224.219 2.454 10 0 BEAERN O=C1CC[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000049826287 182750055 /nfs/dbraw/zinc/75/00/55/182750055.db2.gz ODTATRFHHUWKHH-JTQLQIEISA-N 0 0 234.251 2.226 10 0 BEAERN O=C1CC[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000049826289 182753959 /nfs/dbraw/zinc/75/39/59/182753959.db2.gz ODTATRFHHUWKHH-SNVBAGLBSA-N 0 0 234.251 2.226 10 0 BEAERN O=C1CCc2c1cccc2O[C@@H]1CCC[C@H]1O ZINC000062800118 182754350 /nfs/dbraw/zinc/75/43/50/182754350.db2.gz QBWCCKWYBDHLLV-TZMCWYRMSA-N 0 0 232.279 2.108 10 0 BEAERN O=C1C[C@@H](C(F)(F)F)N1c1ccccc1 ZINC000095930773 182773799 /nfs/dbraw/zinc/77/37/99/182773799.db2.gz YDWIZERZNJJYAW-QMMMGPOBSA-N 0 0 215.174 2.354 10 0 BEAERN O=C1NC[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000077360466 182809756 /nfs/dbraw/zinc/80/97/56/182809756.db2.gz LPALRVRREYHRLO-QMMMGPOBSA-N 0 0 231.082 2.347 10 0 BEAERN CCOC(=O)[C@]1(NC)CCCc2ccccc21 ZINC000037458781 170286207 /nfs/dbraw/zinc/28/62/07/170286207.db2.gz IOUFFBUHWRYZST-AWEZNQCLSA-N 0 0 233.311 2.001 10 0 BEAERN O=C1Nc2ccc(F)c(F)c2N[C@@H]2CCC[C@H]12 ZINC000082329732 182823058 /nfs/dbraw/zinc/82/30/58/182823058.db2.gz MHCSKGAYUMJGOG-POYBYMJQSA-N 0 0 238.237 2.498 10 0 BEAERN O=C1NCCN1c1ccc(C(F)(F)F)cc1 ZINC000039170464 182805248 /nfs/dbraw/zinc/80/52/48/182805248.db2.gz USFKQMYFUUPKMV-UHFFFAOYSA-N 0 0 230.189 2.235 10 0 BEAERN O=C1c2ccccc2CC[C@@H]1C[C@@H]1COCCO1 ZINC000039135162 182845851 /nfs/dbraw/zinc/84/58/51/182845851.db2.gz RMGQDDXUUCJTHW-CHWSQXEVSA-N 0 0 246.306 2.237 10 0 BEAERN O=C1c2ccccc2O[C@H](O)[C@@H]1c1ccccc1 ZINC000039435809 182846455 /nfs/dbraw/zinc/84/64/55/182846455.db2.gz CPBYTAYFHIHDNI-HIFRSBDPSA-N 0 0 240.258 2.364 10 0 BEAERN O=CN/C=C/c1ccc(C(F)(F)F)cc1 ZINC000169335703 182851433 /nfs/dbraw/zinc/85/14/33/182851433.db2.gz LJCKFFZDFWDRKF-AATRIKPKSA-N 0 0 215.174 2.422 10 0 BEAERN O=C1Nc2ccccc2N[C@H]2CCC[C@H]12 ZINC000082381671 182826080 /nfs/dbraw/zinc/82/60/80/182826080.db2.gz YKYJANXYUWECMC-IUCAKERBSA-N 0 0 202.257 2.219 10 0 BEAERN O=C1O[C@@H](O)c2c1c(Cl)ccc2Cl ZINC000082703172 182836522 /nfs/dbraw/zinc/83/65/22/182836522.db2.gz JJUFGLMZWHDXJL-SSDOTTSWSA-N 0 0 219.023 2.155 10 0 BEAERN O=Cc1c(-c2ccccn2)nc2sccn12 ZINC000051951698 182858299 /nfs/dbraw/zinc/85/82/99/182858299.db2.gz HQEJRIFSGSSUOR-UHFFFAOYSA-N 0 0 229.264 2.270 10 0 BEAERN O=Cc1cc2c(cc1Br)CCN2 ZINC000082360189 182863217 /nfs/dbraw/zinc/86/32/17/182863217.db2.gz FCACUDPOVNGVNY-UHFFFAOYSA-N 0 0 226.073 2.230 10 0 BEAERN CCOC1=NC=CCC(N(CC)CC)=N1 ZINC000095924137 170320767 /nfs/dbraw/zinc/32/07/67/170320767.db2.gz LHESECUZCFENGB-UHFFFAOYSA-N 0 0 209.293 2.037 10 0 BEAERN O=S(=O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000091252538 182904439 /nfs/dbraw/zinc/90/44/39/182904439.db2.gz NPRBLOOTRNRCEV-UHFFFAOYSA-N 0 0 246.156 2.258 10 0 BEAERN O=S(=O)(c1ccccc1)c1ccccc1CO ZINC000097757577 182905306 /nfs/dbraw/zinc/90/53/06/182905306.db2.gz NRVAQRRPKPYWAF-UHFFFAOYSA-N 0 0 248.303 2.012 10 0 BEAERN O=c1cc(-c2cc(O)ccc2Cl)cc[nH]1 ZINC000065339276 182991475 /nfs/dbraw/zinc/99/14/75/182991475.db2.gz KUFQIUGOBOSBOS-UHFFFAOYSA-N 0 0 221.643 2.401 10 0 BEAERN O=c1cc(Cl)nc2c(C(F)(F)F)cccn12 ZINC000095831315 182994464 /nfs/dbraw/zinc/99/44/64/182994464.db2.gz BRYSVOOHBBOXQF-UHFFFAOYSA-N 0 0 248.591 2.367 10 0 BEAERN CCCC[C@@H](CC)C(=O)COC(C)=O ZINC000005309602 168952444 /nfs/dbraw/zinc/95/24/44/168952444.db2.gz VITHQRQQSRJGFY-SNVBAGLBSA-N 0 0 200.278 2.335 10 0 BEAERN O=c1oc(-c2cccc(Cl)c2)ns1 ZINC000138964787 183011605 /nfs/dbraw/zinc/01/16/05/183011605.db2.gz IBNXWVDYILLAKN-UHFFFAOYSA-N 0 0 213.645 2.417 10 0 BEAERN O=c1ncc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000059993412 183012112 /nfs/dbraw/zinc/01/21/12/183012112.db2.gz XWYPVIYAULFDRF-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=C1NCc2c1cccc2NC1CCOCC1 ZINC000329408759 183026297 /nfs/dbraw/zinc/02/62/97/183026297.db2.gz DHRCVZDZQFQUCP-UHFFFAOYSA-N 0 0 232.283 2.096 10 0 BEAERN OCC1(Nc2ccccc2)CCSCC1 ZINC000041058896 183039972 /nfs/dbraw/zinc/03/99/72/183039972.db2.gz PUSBALAPQZUJOW-UHFFFAOYSA-N 0 0 223.341 2.357 10 0 BEAERN OCC1CCC(Oc2ccc3n[nH]cc3c2)CC1 ZINC000089196717 183041392 /nfs/dbraw/zinc/04/13/92/183041392.db2.gz BKBLZQPBVJOFDG-UHFFFAOYSA-N 0 0 246.310 2.493 10 0 BEAERN OCCCCCNc1ccc(-n2cccn2)cc1 ZINC000134647527 183046844 /nfs/dbraw/zinc/04/68/44/183046844.db2.gz GPYTWTPANNWVAL-UHFFFAOYSA-N 0 0 245.326 2.447 10 0 BEAERN O=CC(Br)Br ZINC000085951432 183031796 /nfs/dbraw/zinc/03/17/96/183031796.db2.gz GOESUIYHAZGUQK-UHFFFAOYSA-N 0 0 201.845 2.133 10 0 BEAERN CCCC[C@@H](O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392756 168975426 /nfs/dbraw/zinc/97/54/26/168975426.db2.gz OHRIKTXIUCVGOS-CYBMUJFWSA-N 0 0 248.326 2.101 10 0 BEAERN OCCCNc1ccc(Br)cc1 ZINC000041578816 183059957 /nfs/dbraw/zinc/05/99/57/183059957.db2.gz UXQVCAAQAJMHLL-UHFFFAOYSA-N 0 0 230.105 2.243 10 0 BEAERN OCCCNc1cccc(Br)c1 ZINC000041571346 183060214 /nfs/dbraw/zinc/06/02/14/183060214.db2.gz BIKDSFGLKYARHT-UHFFFAOYSA-N 0 0 230.105 2.243 10 0 BEAERN CCCC[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000300928940 168981380 /nfs/dbraw/zinc/98/13/80/168981380.db2.gz METQKDWBCIKJLC-SRVKXCTJSA-N 0 0 227.348 2.090 10 0 BEAERN OCCN(Cc1ccccc1)c1ncccc1F ZINC000054701144 183070540 /nfs/dbraw/zinc/07/05/40/183070540.db2.gz UDIYCKSCQYEUFW-UHFFFAOYSA-N 0 0 246.285 2.220 10 0 BEAERN OCCNc1ccc2c(Cl)ccnc2c1F ZINC000301746307 183081019 /nfs/dbraw/zinc/08/10/19/183081019.db2.gz YBBZVJOJAZEYOV-UHFFFAOYSA-N 0 0 240.665 2.432 10 0 BEAERN CCCC[C@H](CC)C(=O)N1CC[C@@H](CCO)C1 ZINC000123006139 168994233 /nfs/dbraw/zinc/99/42/33/168994233.db2.gz QEXDUZVQEOSTAL-STQMWFEESA-N 0 0 241.375 2.434 10 0 BEAERN OC[C@@H]1CCCCN(c2nc3ccccc3[nH]2)C1 ZINC000378298333 183116667 /nfs/dbraw/zinc/11/66/67/183116667.db2.gz YJSSIWVZNBDCTQ-LLVKDONJSA-N 0 0 245.326 2.162 10 0 BEAERN OC[C@@H]1CCCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000224413878 183118648 /nfs/dbraw/zinc/11/86/48/183118648.db2.gz JKOLMBXIWYXNKS-WPRPVWTQSA-N 0 0 241.722 2.093 10 0 BEAERN OCC[C@H]1CNc2cc(Br)ccc21 ZINC000071486858 183098645 /nfs/dbraw/zinc/09/86/45/183098645.db2.gz WJVZMDMDRXBEDX-ZETCQYMHSA-N 0 0 242.116 2.341 10 0 BEAERN OCCc1ccc(C2=C[C@@H](O)CCC2)cc1 ZINC000033865056 183100116 /nfs/dbraw/zinc/10/01/16/183100116.db2.gz YRTJDFIGZGHQFZ-AWEZNQCLSA-N 0 0 218.296 2.150 10 0 BEAERN [O-]c1c(Cl)cc(CCO)cc1Cl ZINC000013451523 183100456 /nfs/dbraw/zinc/10/04/56/183100456.db2.gz HHBCXDGBMINMHS-UHFFFAOYSA-N 0 0 207.056 2.234 10 0 BEAERN OC[C@@H](Nc1ccccc1F)[C@H]1CCCOC1 ZINC000104313207 183111040 /nfs/dbraw/zinc/11/10/40/183111040.db2.gz QIXYGEWRDCEWCI-GXFFZTMASA-N 0 0 239.290 2.025 10 0 BEAERN OC[C@@]1(Nc2ccc(F)cc2)CCCSC1 ZINC000061590857 183134402 /nfs/dbraw/zinc/13/44/02/183134402.db2.gz PGQVUFPJTAYECZ-LBPRGKRZSA-N 0 0 241.331 2.496 10 0 BEAERN OC[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000027425285 183138208 /nfs/dbraw/zinc/13/82/08/183138208.db2.gz WPRITGBJGHUHOS-ZDUSSCGKSA-N 0 0 244.290 2.416 10 0 BEAERN OC[C@H](Nc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000038113823 183142258 /nfs/dbraw/zinc/14/22/58/183142258.db2.gz UYODQZJUKCPYQP-CABZTGNLSA-N 0 0 241.718 2.149 10 0 BEAERN CCCCc1nccn1-c1cc[nH+]cc1N ZINC000085343095 169028020 /nfs/dbraw/zinc/02/80/20/169028020.db2.gz RMSUHFYNYNEGCS-UHFFFAOYSA-N 0 0 216.288 2.192 10 0 BEAERN OC[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000011892908 183154063 /nfs/dbraw/zinc/15/40/63/183154063.db2.gz VZHUMSRPQKUILA-QMMMGPOBSA-N 0 0 229.682 2.298 10 0 BEAERN OCc1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000019045434 183160977 /nfs/dbraw/zinc/16/09/77/183160977.db2.gz JALPPCXRRRECHU-UHFFFAOYSA-N 0 0 208.648 2.222 10 0 BEAERN OCc1cc(F)c(Br)c(F)c1 ZINC000082100208 183161248 /nfs/dbraw/zinc/16/12/48/183161248.db2.gz WPYAMPHDUWZYDH-UHFFFAOYSA-N 0 0 223.016 2.220 10 0 BEAERN OCc1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000034973603 183163321 /nfs/dbraw/zinc/16/33/21/183163321.db2.gz LGAUNAPEDHPRQK-UHFFFAOYSA-N 0 0 243.241 2.052 10 0 BEAERN OCc1ccc(Br)c2[nH]ccc21 ZINC000089204594 183163553 /nfs/dbraw/zinc/16/35/53/183163553.db2.gz DHNPZXKGWMOBRJ-UHFFFAOYSA-N 0 0 226.073 2.423 10 0 BEAERN OCc1ccc(COc2ccccc2F)o1 ZINC000041239336 183164425 /nfs/dbraw/zinc/16/44/25/183164425.db2.gz CJCRIVMAVLSSGK-UHFFFAOYSA-N 0 0 222.215 2.490 10 0 BEAERN O[C@@H](Cc1cc(F)cc(F)c1)c1cncnc1 ZINC000052886839 183182971 /nfs/dbraw/zinc/18/29/71/183182971.db2.gz VTABWGPALDBYRV-LBPRGKRZSA-N 0 0 236.221 2.031 10 0 BEAERN OCc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000075934918 183166038 /nfs/dbraw/zinc/16/60/38/183166038.db2.gz SPQASZMXFHNAHJ-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN OCc1ccc(NCc2ccc(F)cc2)cn1 ZINC000029213924 183166406 /nfs/dbraw/zinc/16/64/06/183166406.db2.gz ZPFRIVYVIQYSKY-UHFFFAOYSA-N 0 0 232.258 2.325 10 0 BEAERN OCc1ccc([C@@H]2CCCc3cncn32)cc1 ZINC000013820296 183166666 /nfs/dbraw/zinc/16/66/66/183166666.db2.gz HNWGYDJRCZATGH-AWEZNQCLSA-N 0 0 228.295 2.301 10 0 BEAERN OCc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054857114 183169798 /nfs/dbraw/zinc/16/97/98/183169798.db2.gz SHMMTWJNRKITNY-UHFFFAOYSA-N 0 0 240.184 2.053 10 0 BEAERN OCc1nc([C@H]2CCCc3ccccc32)no1 ZINC000104441057 183170541 /nfs/dbraw/zinc/17/05/41/183170541.db2.gz TUXJTVGKLQBLAA-NSHDSACASA-N 0 0 230.267 2.030 10 0 BEAERN OCc1ncccc1OCc1ccccc1 ZINC000039424946 183171261 /nfs/dbraw/zinc/17/12/61/183171261.db2.gz PGCMORSSVVBCQR-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1F ZINC000037689757 183196051 /nfs/dbraw/zinc/19/60/51/183196051.db2.gz XUFHUNFVCYKUSK-IONNQARKSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1ccc(F)c(F)c1F ZINC000037689756 183196780 /nfs/dbraw/zinc/19/67/80/183196780.db2.gz XUFHUNFVCYKUSK-VXNVDRBHSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1 ZINC000095078327 183201579 /nfs/dbraw/zinc/20/15/79/183201579.db2.gz MRMDGCNXLFLUKH-ZYHUDNBSSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1 ZINC000095078328 183201595 /nfs/dbraw/zinc/20/15/95/183201595.db2.gz MRMDGCNXLFLUKH-CMPLNLGQSA-N 0 0 226.703 2.280 10 0 BEAERN CCO[S@@](=O)c1ccc(Cl)cc1 ZINC000095752058 170513057 /nfs/dbraw/zinc/51/30/57/170513057.db2.gz ARAFKHFXHSVTEI-LBPRGKRZSA-N 0 0 204.678 2.399 10 0 BEAERN CCCN(C)C(=O)c1cc(N)cn1C(C)C ZINC000036862800 169061108 /nfs/dbraw/zinc/06/11/08/169061108.db2.gz ZZUCVJYFKIVRQN-UHFFFAOYSA-N 0 0 223.320 2.133 10 0 BEAERN CCCN(C)C(=O)c1ccc(Cl)cc1N ZINC000037097706 169061173 /nfs/dbraw/zinc/06/11/73/169061173.db2.gz UJCMYNQNMIDMQM-UHFFFAOYSA-N 0 0 226.707 2.404 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1F ZINC000037689921 183195465 /nfs/dbraw/zinc/19/54/65/183195465.db2.gz DWLZDWSDYYWWOK-WDEREUQCSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cc(F)c(F)cc1F ZINC000061094035 183195620 /nfs/dbraw/zinc/19/56/20/183195620.db2.gz ZSTXSEFGWZGDQU-GXSJLCMTSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@@H]1CCC[C@@H](Oc2ccc3n[nH]cc3c2)C1 ZINC000089196708 183195911 /nfs/dbraw/zinc/19/59/11/183195911.db2.gz DVFXNPCOKKRVMJ-GHMZBOCLSA-N 0 0 232.283 2.245 10 0 BEAERN O[C@@]1(c2cccnc2)CCc2ccccc2C1 ZINC000037761318 183218071 /nfs/dbraw/zinc/21/80/71/183218071.db2.gz MWQCGBWVQVOIMH-HNNXBMFYSA-N 0 0 225.291 2.458 10 0 BEAERN O[C@H](CCc1ccccn1)c1cccnc1 ZINC000062167196 183220711 /nfs/dbraw/zinc/22/07/11/183220711.db2.gz HGYHZGNVBRJXQU-CYBMUJFWSA-N 0 0 214.268 2.143 10 0 BEAERN O[C@H](COC(F)(F)F)c1ccc(F)cc1 ZINC000068576496 183226009 /nfs/dbraw/zinc/22/60/09/183226009.db2.gz NOBKRZNWSFNPLP-MRVPVSSYSA-N 0 0 224.153 2.396 10 0 BEAERN O[C@H](CNc1ncc(Cl)cn1)C1CCCC1 ZINC000301500646 183226196 /nfs/dbraw/zinc/22/61/96/183226196.db2.gz WVHNIYFDDLQRPZ-SNVBAGLBSA-N 0 0 241.722 2.093 10 0 BEAERN CCCN(C)c1c(F)cc(N)cc1F ZINC000038040057 169087643 /nfs/dbraw/zinc/08/76/43/169087643.db2.gz WRKKJXSLTCSWJJ-UHFFFAOYSA-N 0 0 200.232 2.393 10 0 BEAERN O[C@H]1CCC=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000021995589 183230266 /nfs/dbraw/zinc/23/02/66/183230266.db2.gz ZIKGSULOMNYSGC-NWDGAFQWSA-N 0 0 224.687 2.239 10 0 BEAERN O[C@H](c1ccoc1)c1cc2ccncc2[nH]1 ZINC000143531495 183230471 /nfs/dbraw/zinc/23/04/71/183230471.db2.gz ITGWAODVACZYNL-GFCCVEGCSA-N 0 0 214.224 2.238 10 0 BEAERN O[C@H](c1cnc2ccccc2c1)c1ncccn1 ZINC000037761711 183230490 /nfs/dbraw/zinc/23/04/90/183230490.db2.gz RYTGTOORFQAYKL-CYBMUJFWSA-N 0 0 237.262 2.107 10 0 BEAERN O[C@@H]1COC[C@H]1Nc1ccc(Cl)cc1Cl ZINC000037875551 183211786 /nfs/dbraw/zinc/21/17/86/183211786.db2.gz UJOXEFGZDRAWRG-NXEZZACHSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1CCOC[C@H]1Cc1ccc(Cl)cc1 ZINC000095078325 183241213 /nfs/dbraw/zinc/24/12/13/183241213.db2.gz MRMDGCNXLFLUKH-PWSUYJOCSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@H]1CCc2[nH]c3c(cc(F)cc3F)c2C1 ZINC000083724185 183242210 /nfs/dbraw/zinc/24/22/10/183242210.db2.gz RSGYKBOJHMQJMR-ZETCQYMHSA-N 0 0 223.222 2.296 10 0 BEAERN CCCN(CC)C(=O)c1cc(N)ccc1F ZINC000035651518 169117241 /nfs/dbraw/zinc/11/72/41/169117241.db2.gz VFHUDIAZHFQLBY-UHFFFAOYSA-N 0 0 224.279 2.280 10 0 BEAERN O[C@H]1C[C@@H](c2ccco2)N(c2ccccc2)O1 ZINC000090716143 183248567 /nfs/dbraw/zinc/24/85/67/183248567.db2.gz KMEPCTWIFAEPJI-WCQYABFASA-N 0 0 231.251 2.481 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1ccc(F)cn1 ZINC000082997417 183232488 /nfs/dbraw/zinc/23/24/88/183232488.db2.gz UEKIEWXLZNULNC-ONGXEEELSA-N 0 0 224.279 2.184 10 0 BEAERN Oc1ccc(-c2cc(O)cc(F)c2)nc1 ZINC000065355707 183264329 /nfs/dbraw/zinc/26/43/29/183264329.db2.gz HMSVHCGFMNZZLF-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000122447078 169135646 /nfs/dbraw/zinc/13/56/46/169135646.db2.gz SZQZPIVMJIIRKY-JQWIXIFHSA-N 0 0 225.332 2.203 10 0 BEAERN CCCN(CCC)c1cc2c(cc1N)CC(=O)N2 ZINC000035061033 169152047 /nfs/dbraw/zinc/15/20/47/169152047.db2.gz YUIXVDZOZLYLEA-UHFFFAOYSA-N 0 0 247.342 2.390 10 0 BEAERN Oc1ccc2c(c1)OC[C@@H]2NCc1ccco1 ZINC000022217158 183280934 /nfs/dbraw/zinc/28/09/34/183280934.db2.gz POZNZTWBQQVUIS-LBPRGKRZSA-N 0 0 231.251 2.209 10 0 BEAERN Oc1ccc2c(c1)OC[C@@H]2NCc1cccnc1 ZINC000020141122 183281247 /nfs/dbraw/zinc/28/12/47/183281247.db2.gz BTVYKEWAMOVDKN-ZDUSSCGKSA-N 0 0 242.278 2.011 10 0 BEAERN Oc1cncc(-c2nc(-c3ccco3)no2)c1 ZINC000104421280 183305814 /nfs/dbraw/zinc/30/58/14/183305814.db2.gz JTTHXIUGCGCNNL-UHFFFAOYSA-N 0 0 229.195 2.097 10 0 BEAERN Oc1ccc2ccccc2c1-n1cncn1 ZINC000005518453 183284144 /nfs/dbraw/zinc/28/41/44/183284144.db2.gz MVASOAXBEZAFJY-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN CCCN(Cc1cccc(N)c1)C(C)=O ZINC000035364881 169176216 /nfs/dbraw/zinc/17/62/16/169176216.db2.gz RADPBDIBPIJWIQ-UHFFFAOYSA-N 0 0 206.289 2.027 10 0 BEAERN Oc1cccc(-c2noc([C@H]3CCCOC3)n2)c1 ZINC000062238334 183287706 /nfs/dbraw/zinc/28/77/06/183287706.db2.gz RALLJXVBLXDZBJ-JTQLQIEISA-N 0 0 246.266 2.336 10 0 BEAERN Oc1ccccc1C1=CN2CCC1CC2 ZINC000013740318 183302162 /nfs/dbraw/zinc/30/21/62/183302162.db2.gz MYQTVOSXIIRICR-UHFFFAOYSA-N 0 0 201.269 2.459 10 0 BEAERN O=c1cc[nH]c(C2(C(F)(F)F)CC2)c1 ZINC000261508479 183304815 /nfs/dbraw/zinc/30/48/15/183304815.db2.gz SZTCPLWFHHPWFH-UHFFFAOYSA-N 0 0 203.163 2.381 10 0 BEAERN Oc1cnc(Br)c2[nH]ccc21 ZINC000089212998 183305060 /nfs/dbraw/zinc/30/50/60/183305060.db2.gz MMOISTUVCJNVEQ-UHFFFAOYSA-N 0 0 213.034 2.031 10 0 BEAERN S=c1[nH]nc(CC2CC2)n1C[C@H]1CCCO1 ZINC000073739439 183314772 /nfs/dbraw/zinc/31/47/72/183314772.db2.gz BLIXJBJLLKPAEL-SECBINFHSA-N 0 0 239.344 2.072 10 0 BEAERN CCCN(c1cccc(N)c1)[C@H](C)C(=O)NCC ZINC000063112737 169182615 /nfs/dbraw/zinc/18/26/15/169182615.db2.gz JZLVQFRBPGYOEO-LLVKDONJSA-N 0 0 249.358 2.010 10 0 BEAERN Cc1ccc(I)cc1 ZINC000060290251 183317026 /nfs/dbraw/zinc/31/70/26/183317026.db2.gz DGPKCVVAEWUJPR-UHFFFAOYSA-N 0 0 217.029 2.473 10 0 BEAERN CCC[NH+]1CCC(n2cccc2C(=O)[O-])CC1 ZINC000049559860 169191503 /nfs/dbraw/zinc/19/15/03/169191503.db2.gz INYLTMFNRQWMBU-UHFFFAOYSA-N 0 0 236.315 2.233 10 0 BEAERN c1cn2cc(-c3ccncc3)nc2s1 ZINC000012943779 183329174 /nfs/dbraw/zinc/32/91/74/183329174.db2.gz NLBFMECAIAFASS-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN O=c1[nH]oc2c1cccc2Br ZINC000084229431 183310219 /nfs/dbraw/zinc/31/02/19/183310219.db2.gz OSNRZJKTIPYAMH-UHFFFAOYSA-N 0 0 214.018 2.296 10 0 BEAERN S=C1CCCCN1C1=NCCCS1 ZINC000039124813 183312178 /nfs/dbraw/zinc/31/21/78/183312178.db2.gz UZXNIEBUGYJKAN-UHFFFAOYSA-N 0 0 214.359 2.293 10 0 BEAERN CCC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246575294 169210163 /nfs/dbraw/zinc/21/01/63/169210163.db2.gz FTDAVDPQUTWOAC-MFKMUULPSA-N 0 0 241.281 2.483 10 0 BEAERN CCCN1Sc2ccccc2[S@]1=O ZINC000006380328 169210972 /nfs/dbraw/zinc/21/09/72/169210972.db2.gz DPEHBAVAXRKEGX-ZDUSSCGKSA-N 0 0 213.327 2.442 10 0 BEAERN c1cc(CSC2CCOCC2)ccn1 ZINC000131103859 183354740 /nfs/dbraw/zinc/35/47/40/183354740.db2.gz ZXXFYDZGZXEIJE-UHFFFAOYSA-N 0 0 209.314 2.494 10 0 BEAERN CCCNC(=O)CCCc1cccc(N)c1 ZINC000049817943 169215657 /nfs/dbraw/zinc/21/56/57/169215657.db2.gz MCZWCSSKNFWDES-UHFFFAOYSA-N 0 0 220.316 2.118 10 0 BEAERN c1cc(CCCNc2ccnc(C3CC3)n2)n[nH]1 ZINC000302766297 183357757 /nfs/dbraw/zinc/35/77/57/183357757.db2.gz LPUFRLXBGPFHFU-UHFFFAOYSA-N 0 0 243.314 2.122 10 0 BEAERN c1cc(CNc2cccc(-n3cnnc3)c2)co1 ZINC000063047101 183357789 /nfs/dbraw/zinc/35/77/89/183357789.db2.gz HQYFBAZCIQATMS-UHFFFAOYSA-N 0 0 240.266 2.472 10 0 BEAERN c1nnsc1NCc1ccc2c(c1)CCO2 ZINC000083359996 183368917 /nfs/dbraw/zinc/36/89/17/183368917.db2.gz IUVPDIJSCKMDBJ-UHFFFAOYSA-N 0 0 233.296 2.085 10 0 BEAERN c1cc2c(cc1NC[C@H]1CCCO1)OCCCO2 ZINC000020043327 183369668 /nfs/dbraw/zinc/36/96/68/183369668.db2.gz OPJOLPUBGGMKDN-GFCCVEGCSA-N 0 0 249.310 2.439 10 0 BEAERN CCCNC(=O)N(C)[C@@H](C)c1cccc(N)c1 ZINC000036743757 169234371 /nfs/dbraw/zinc/23/43/71/169234371.db2.gz BDBPOKAXPZJNRR-JTQLQIEISA-N 0 0 235.331 2.381 10 0 BEAERN CCCNC(=O)N(CC)c1ccccc1N ZINC000050453870 169234485 /nfs/dbraw/zinc/23/44/85/169234485.db2.gz BBKPKRQGUYSMNO-UHFFFAOYSA-N 0 0 221.304 2.215 10 0 BEAERN CCCNC(=O)Nc1cc(C)c(C)cc1N ZINC000050439594 169239275 /nfs/dbraw/zinc/23/92/75/169239275.db2.gz JTNAVRDHVKSDEW-UHFFFAOYSA-N 0 0 221.304 2.417 10 0 BEAERN CCCNC(=O)Nc1c(N)cccc1Cl ZINC000050352885 169239586 /nfs/dbraw/zinc/23/95/86/169239586.db2.gz MBEFCBPLVHCWIA-UHFFFAOYSA-N 0 0 227.695 2.454 10 0 BEAERN CCCNC(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000020256742 169240035 /nfs/dbraw/zinc/24/00/35/169240035.db2.gz IULPFTSSZSYWAN-VIFPVBQESA-N 0 0 221.304 2.238 10 0 BEAERN c1cc2nnc(C3CCCC3)nc2cn1 ZINC000026497528 183377158 /nfs/dbraw/zinc/37/71/58/183377158.db2.gz WSGRDQXJJGVDAB-UHFFFAOYSA-N 0 0 200.245 2.077 10 0 BEAERN CCCNC(=O)[C@@H](C)Nc1ccccc1F ZINC000020313697 169242665 /nfs/dbraw/zinc/24/26/65/169242665.db2.gz AHJQZEWEQSYNNO-SECBINFHSA-N 0 0 224.279 2.152 10 0 BEAERN c1cn2cc(-c3ccccn3)nc2s1 ZINC000051951700 183380895 /nfs/dbraw/zinc/38/08/95/183380895.db2.gz WZOAEQMKLXICPO-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN CCCNC(=O)[C@H](C)Nc1cccc(OC)c1 ZINC000020312605 169247409 /nfs/dbraw/zinc/24/74/09/169247409.db2.gz ZXVLEKPCHBJCLM-JTQLQIEISA-N 0 0 236.315 2.022 10 0 BEAERN CCCNC(=O)c1cc(CC)sc1N ZINC000104278731 169250797 /nfs/dbraw/zinc/25/07/97/169250797.db2.gz KMZBMJQCRXOVEL-UHFFFAOYSA-N 0 0 212.318 2.033 10 0 BEAERN c1nnnn1-c1ccccc1NCC1CCCC1 ZINC000050271696 183386825 /nfs/dbraw/zinc/38/68/25/183386825.db2.gz WTRGTQUTZNECGL-UHFFFAOYSA-N 0 0 243.314 2.264 10 0 BEAERN CCCOC(=O)c1cc(N)c(C)c(F)c1 ZINC000048671159 169300497 /nfs/dbraw/zinc/30/04/97/169300497.db2.gz OXSGZFUQGKAHKL-UHFFFAOYSA-N 0 0 211.236 2.283 10 0 BEAERN CCCOC(=O)c1ccc(N[C@H]2CCOC2)cc1 ZINC000104072062 169300917 /nfs/dbraw/zinc/30/09/17/169300917.db2.gz QSDUGSXYEVNULQ-ZDUSSCGKSA-N 0 0 249.310 2.454 10 0 BEAERN CCCO[C@H]1CCC[N@@H+]([C@@H](CC)CC(=O)[O-])C1 ZINC000062756091 169312730 /nfs/dbraw/zinc/31/27/30/169312730.db2.gz QUBKATBHCQZWMH-RYUDHWBXSA-N 0 0 243.347 2.131 10 0 BEAERN CCCOc1cc(NC)nc(C(C)C)n1 ZINC000082483040 169315721 /nfs/dbraw/zinc/31/57/21/169315721.db2.gz NVUMDLPJPRVZSI-UHFFFAOYSA-N 0 0 209.293 2.431 10 0 BEAERN CCC[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1F ZINC000037182201 169292613 /nfs/dbraw/zinc/29/26/13/169292613.db2.gz JXCIIIJKGFSMAI-LBPRGKRZSA-N 0 0 243.253 2.264 10 0 BEAERN CCCNc1cccc(N2CCOC2=O)c1 ZINC000037087174 169295010 /nfs/dbraw/zinc/29/50/10/169295010.db2.gz LHHGAQMHPNRGJJ-UHFFFAOYSA-N 0 0 220.272 2.465 10 0 BEAERN CCCNc1ccnc(C(=O)N2CC[C@@H](C)C2)c1 ZINC000050773093 169295549 /nfs/dbraw/zinc/29/55/49/169295549.db2.gz ARXRXVZOYCYLPJ-LLVKDONJSA-N 0 0 247.342 2.386 10 0 BEAERN CCCNc1ccnc(C(=O)Nc2ccon2)c1 ZINC000061684719 169295689 /nfs/dbraw/zinc/29/56/89/169295689.db2.gz DWNGBXPBFIKCSG-UHFFFAOYSA-N 0 0 246.270 2.144 10 0 BEAERN CCCNc1ccnc(C(=O)N2CCCC2)c1 ZINC000050724065 169296080 /nfs/dbraw/zinc/29/60/80/169296080.db2.gz YUOPPEGRSDKCAP-UHFFFAOYSA-N 0 0 233.315 2.140 10 0 BEAERN CCCNc1ncnc(Nc2ccccn2)c1N ZINC000040707752 169296288 /nfs/dbraw/zinc/29/62/88/169296288.db2.gz RABDRJCQTDTSBU-UHFFFAOYSA-N 0 0 244.302 2.019 10 0 BEAERN CCCNc1ncnc(NCCC(C)C)c1N ZINC000040707894 169296796 /nfs/dbraw/zinc/29/67/96/169296796.db2.gz PZJHIPUZUDOXQA-UHFFFAOYSA-N 0 0 237.351 2.339 10 0 BEAERN CCCNc1ncccc1C(=O)NCC(C)C ZINC000050725567 169296808 /nfs/dbraw/zinc/29/68/08/169296808.db2.gz RBWXESJZKWHKCI-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN CCCNc1nc2cccc(C)c2c(=O)o1 ZINC000006380555 169296909 /nfs/dbraw/zinc/29/69/09/169296909.db2.gz NBMSYESECRHKNY-UHFFFAOYSA-N 0 0 218.256 2.318 10 0 BEAERN CCCNc1ncnc(NC2CCCC2)c1N ZINC000040707932 169297180 /nfs/dbraw/zinc/29/71/80/169297180.db2.gz LKIZWISEOPADSK-UHFFFAOYSA-N 0 0 235.335 2.235 10 0 BEAERN CCCOc1ccc([C@H]2CNC(=O)O2)cc1 ZINC000075456316 169322420 /nfs/dbraw/zinc/32/24/20/169322420.db2.gz OUCDPNWBRQQUQY-LLVKDONJSA-N 0 0 221.256 2.256 10 0 BEAERN CCCOc1nc(Cl)nc(OC(C)C)n1 ZINC000061519762 169328078 /nfs/dbraw/zinc/32/80/78/169328078.db2.gz IQYDOZXBNQEAON-UHFFFAOYSA-N 0 0 231.683 2.101 10 0 BEAERN CCCS(=O)(=O)c1cc(O)ccc1Cl ZINC000039283134 169333709 /nfs/dbraw/zinc/33/37/09/169333709.db2.gz XMEYYAFJTIZCEJ-UHFFFAOYSA-N 0 0 234.704 2.229 10 0 BEAERN CCCS(=O)(=O)Nc1ccc(C)c(N)c1C ZINC000037905039 169333908 /nfs/dbraw/zinc/33/39/08/169333908.db2.gz YEGYAXHOXAOUKN-UHFFFAOYSA-N 0 0 242.344 2.037 10 0 BEAERN CCCS(=O)(=O)Nc1ccc(Cl)cc1N ZINC000021964909 169334204 /nfs/dbraw/zinc/33/42/04/169334204.db2.gz MPIBMIVXPZWXMG-UHFFFAOYSA-N 0 0 248.735 2.074 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cccc(F)c1N ZINC000054204140 169369204 /nfs/dbraw/zinc/36/92/04/169369204.db2.gz NUUYRFNIQREWDS-MRVPVSSYSA-N 0 0 224.279 2.326 10 0 BEAERN c1cn2c(nnc2C2CC2)c(NC2CCCC2)n1 ZINC000302214120 183473066 /nfs/dbraw/zinc/47/30/66/183473066.db2.gz NYCPNASJMQDSSD-UHFFFAOYSA-N 0 0 243.314 2.356 10 0 BEAERN CCC[C@@H](C)Nc1ncnc2c(C)[nH]nc21 ZINC000089211985 169372599 /nfs/dbraw/zinc/37/25/99/169372599.db2.gz DFVMVCXIPAUYBE-SSDOTTSWSA-N 0 0 219.292 2.262 10 0 BEAERN CCC[C@H](CC)NC(=O)c1cc(N)cc(N)c1 ZINC000050399048 169496978 /nfs/dbraw/zinc/49/69/78/169496978.db2.gz JBZAAKLJJBOHJF-LBPRGKRZSA-N 0 0 235.331 2.160 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(N)nc1 ZINC000039093445 166670036 /nfs/dbraw/zinc/67/00/36/166670036.db2.gz JRGFHNRLNOKTEP-UHFFFAOYSA-N 0 0 209.249 2.011 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1O[C@@H]1c1ccccc1 ZINC000034482388 166671494 /nfs/dbraw/zinc/67/14/94/166671494.db2.gz LKKOTPSFKLPCQF-GHMZBOCLSA-N 0 0 220.268 2.468 10 0 BEAERN CCCc1c(N)cnn1-c1cc(C)ccn1 ZINC000085634800 169561151 /nfs/dbraw/zinc/56/11/51/169561151.db2.gz SAPPRVJJYKZWNX-UHFFFAOYSA-N 0 0 216.288 2.110 10 0 BEAERN CCCc1cc(N)nc(-c2ccccn2)n1 ZINC000050845686 169566180 /nfs/dbraw/zinc/56/61/80/169566180.db2.gz YNILALUZGWOPIV-UHFFFAOYSA-N 0 0 214.272 2.073 10 0 BEAERN CCCc1cc(NC(=O)CCCOCC)n[nH]1 ZINC000109912532 169566207 /nfs/dbraw/zinc/56/62/07/169566207.db2.gz UVKULAKSPIBXPU-UHFFFAOYSA-N 0 0 239.319 2.117 10 0 BEAERN CCCc1ccc(O[C@@H]2COCC[C@@H]2O)cc1 ZINC000053334252 169572233 /nfs/dbraw/zinc/57/22/33/169572233.db2.gz WVLVIJSRKXMMKB-UONOGXRCSA-N 0 0 236.311 2.168 10 0 BEAERN CC[C@@H]1CC[C@H](OC(=O)c2cn[nH]c2)C1 ZINC000095934147 171057623 /nfs/dbraw/zinc/05/76/23/171057623.db2.gz GFWVVYJXMFPAHH-SCZZXKLOSA-N 0 0 208.261 2.145 10 0 BEAERN CCCc1nnc(NC[C@H](O)C(C)(C)C)s1 ZINC000301682738 169598696 /nfs/dbraw/zinc/59/86/96/169598696.db2.gz UHDKYUPYBBJBKP-QMMMGPOBSA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnc(NC[C@H](C)C[C@H](C)O)s1 ZINC000301666088 169598847 /nfs/dbraw/zinc/59/88/47/169598847.db2.gz MBZHKUFBBDFVSH-BDAKNGLRSA-N 0 0 243.376 2.310 10 0 BEAERN CC(C)NC(=O)c1cccc(C(F)(F)F)c1N ZINC000060249367 1172605614 /nfs/dbraw/zinc/60/56/14/1172605614.db2.gz GJWTXNHCPUWYEQ-UHFFFAOYSA-N 0 0 246.232 2.426 10 0 BEAERN CCCn1cc(N[C@H](C)c2cc[nH]n2)ccc1=O ZINC000037908428 169620848 /nfs/dbraw/zinc/62/08/48/169620848.db2.gz DPMAQZJQOFLTLP-SNVBAGLBSA-N 0 0 246.314 2.155 10 0 BEAERN CCN(C(=O)Nc1cccc(N)c1)C1CC1 ZINC000037080288 169646200 /nfs/dbraw/zinc/64/62/00/169646200.db2.gz YVPZGPUCZXUXSN-UHFFFAOYSA-N 0 0 219.288 2.285 10 0 BEAERN CCN(C(=O)c1ccccc1N)C(C)C ZINC000037081502 169659653 /nfs/dbraw/zinc/65/96/53/169659653.db2.gz DELFLOWLZWTCDG-UHFFFAOYSA-N 0 0 206.289 2.139 10 0 BEAERN CC(C)CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127642117 383837864 /nfs/dbraw/zinc/83/78/64/383837864.db2.gz ICLISBHHNGZIEO-TZMCWYRMSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cc(Br)cc(C)c1C(N)=O ZINC000087493505 383848429 /nfs/dbraw/zinc/84/84/29/383848429.db2.gz XVYIGNNYCQHLJI-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN CC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000111599347 383869924 /nfs/dbraw/zinc/86/99/24/383869924.db2.gz SPJGROWIUYYIJX-QPUJVOFHSA-N 0 0 217.268 2.027 10 0 BEAERN CC(C)[C@H]1CC[C@H](C)C[C@]12OC[C@@H](CO)O2 ZINC000035855400 383877192 /nfs/dbraw/zinc/87/71/92/383877192.db2.gz ZBJCYZPANVLBRK-UMSGYPCISA-N 0 0 228.332 2.183 10 0 in-vitro BEAERN CCc1cc(N[C@H](C)[C@H]2CCCO2)nc(C)n1 ZINC000088058394 383878113 /nfs/dbraw/zinc/87/81/13/383878113.db2.gz MDQACBYULZRCBP-BXKDBHETSA-N 0 0 235.331 2.327 10 0 BEAERN O=Cc1cccc(OC[C@@H]2CCCCO2)c1 ZINC000035150029 383833870 /nfs/dbraw/zinc/83/38/70/383833870.db2.gz GMBMVNQXJIWSSN-ZDUSSCGKSA-N 0 0 220.268 2.447 10 0 BEAERN CC[C@@H](C)[C@@H](O)CNc1ccnc(C2CC2)n1 ZINC000112334245 383914988 /nfs/dbraw/zinc/91/49/88/383914988.db2.gz WNKYJGRBWSJRJU-KOLCDFICSA-N 0 0 235.331 2.173 10 0 BEAERN Cc1cc2cnccc2nc1-c1nsc(N)n1 ZINC000067173733 383916261 /nfs/dbraw/zinc/91/62/61/383916261.db2.gz LPCJCERJFPRJNF-UHFFFAOYSA-N 0 0 243.295 2.039 10 0 BEAERN O=C(/C=C1\CCc2ccc(F)cc21)NC1CC1 ZINC000027326644 383923125 /nfs/dbraw/zinc/92/31/25/383923125.db2.gz WYQINVASSYFOHC-JXMROGBWSA-N 0 0 231.270 2.434 10 0 BEAERN Fc1c(F)c(F)c(C2=NCCO2)c(F)c1F ZINC000200827293 383886735 /nfs/dbraw/zinc/88/67/35/383886735.db2.gz QRZATMIBJBKWIP-UHFFFAOYSA-N 0 0 237.127 2.159 10 0 BEAERN Cc1ccc(C)c(C(=O)NC[C@@H]2CCC[C@@H]2O)c1 ZINC000089163496 383938761 /nfs/dbraw/zinc/93/87/61/383938761.db2.gz UUFFOLZMOSIGLA-JSGCOSHPSA-N 0 0 247.338 2.194 10 0 BEAERN CCOc1c(OC)cc(C#N)cc1C(C)=O ZINC000575649014 383942280 /nfs/dbraw/zinc/94/22/80/383942280.db2.gz PCUJSGHZKDIZNM-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN N#CCc1cc(C(F)(F)F)c(C=O)cc1C#N ZINC000575645477 383943918 /nfs/dbraw/zinc/94/39/18/383943918.db2.gz GOCNFKBREFOQDD-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000089211272 383947024 /nfs/dbraw/zinc/94/70/24/383947024.db2.gz OIXZRXXLDWYNGQ-UHFFFAOYSA-N 0 0 248.282 2.277 10 0 BEAERN CSc1nc2c(C)[nH]nc2c(Cl)n1 ZINC000089211961 383947191 /nfs/dbraw/zinc/94/71/91/383947191.db2.gz LXIKXHJVECVVGZ-UHFFFAOYSA-N 0 0 214.681 2.037 10 0 BEAERN O=C1Cc2cccnc2N1Cc1ccc(F)cc1 ZINC000089221956 383949221 /nfs/dbraw/zinc/94/92/21/383949221.db2.gz ITLNDPOCPWANCF-UHFFFAOYSA-N 0 0 242.253 2.310 10 0 BEAERN CC[S@@](=O)c1nc2ncc(Cl)cc2s1 ZINC000089229502 383952270 /nfs/dbraw/zinc/95/22/70/383952270.db2.gz CJYGTZPSWOUHTR-AWEZNQCLSA-N 0 0 246.744 2.472 10 0 BEAERN CCc1cc(OC)cc([N+](=O)[O-])c1C#N ZINC000575648979 383955302 /nfs/dbraw/zinc/95/53/02/383955302.db2.gz SBMWGMULVPZLMJ-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1ccc([C@@H](C)NCc2ncc[nH]2)o1 ZINC000049714996 384022953 /nfs/dbraw/zinc/02/29/53/384022953.db2.gz NSIWWOIQSVBDCF-SECBINFHSA-N 0 0 205.261 2.162 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCSC(C)(C)CC1 ZINC000335846830 384004216 /nfs/dbraw/zinc/00/42/16/384004216.db2.gz HPZHGYCVHZWWER-VHSXEESVSA-N 0 0 242.388 2.322 10 0 BEAERN N#Cc1cc(CO)c(F)cc1OC(F)(F)F ZINC000575650000 384010336 /nfs/dbraw/zinc/01/03/36/384010336.db2.gz VEWXZFGFMSCLGJ-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1nsnc1Cl ZINC000050376720 384010865 /nfs/dbraw/zinc/01/08/65/384010865.db2.gz NZDWZIMOSOKOKS-PHDIDXHHSA-N 0 0 233.724 2.171 10 0 BEAERN CCOc1cc(C#N)c(O)c(OCC)c1 ZINC000575650040 384014078 /nfs/dbraw/zinc/01/40/78/384014078.db2.gz KQGDGQTUQBHFMB-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CC[S@](=O)Cc1ccc(Cl)cc1N ZINC000050445247 384045421 /nfs/dbraw/zinc/04/54/21/384045421.db2.gz KVVUBJXKTRUYMQ-CYBMUJFWSA-N 0 0 217.721 2.191 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000075374821 384045992 /nfs/dbraw/zinc/04/59/92/384045992.db2.gz SIIJZPQSFSCPIZ-SCZZXKLOSA-N 0 0 222.263 2.139 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccncc1F ZINC000075374396 384046238 /nfs/dbraw/zinc/04/62/38/384046238.db2.gz VFRPBYWAVMYRRZ-GZMMTYOYSA-N 0 0 222.263 2.139 10 0 BEAERN O=C(c1cnccn1)N1CCC[C@@H]1c1ccco1 ZINC000116042389 384052980 /nfs/dbraw/zinc/05/29/80/384052980.db2.gz SATOAJSXXJAJSD-LLVKDONJSA-N 0 0 243.266 2.047 10 0 BEAERN CCN(C(=O)c1cn[nH]c1)[C@@H](C)c1cccnc1 ZINC000115472490 384085703 /nfs/dbraw/zinc/08/57/03/384085703.db2.gz ZAZOLNSGAZPMLS-JTQLQIEISA-N 0 0 244.298 2.028 10 0 BEAERN O=C([O-])C[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000038027599 384058479 /nfs/dbraw/zinc/05/84/79/384058479.db2.gz HILGSDBFLVKOMW-NSHDSACASA-N 0 0 211.305 2.258 10 0 BEAERN CCN(C(=O)NC1CC1)[C@H](C)c1cccnc1 ZINC000115638398 384091038 /nfs/dbraw/zinc/09/10/38/384091038.db2.gz QCHBYKWACCNEKI-SNVBAGLBSA-N 0 0 233.315 2.337 10 0 BEAERN CCOc1ccc(C#N)c(O)c1OCC ZINC000575651452 384078600 /nfs/dbraw/zinc/07/86/00/384078600.db2.gz ZJBLRMMQRGTVNU-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN C/C=C/CSCc1nnc(C)n1CC ZINC000091029715 384097210 /nfs/dbraw/zinc/09/72/10/384097210.db2.gz BLVTTZVZAMDDFV-GQCTYLIASA-N 0 0 211.334 2.416 10 0 BEAERN CON(C)C(=O)C/C=C/c1ccccc1 ZINC000147743140 384097196 /nfs/dbraw/zinc/09/71/96/384097196.db2.gz XJAGFHBUWCRHGD-RMKNXTFCSA-N 0 0 205.257 2.110 10 0 BEAERN Cn1nc(-c2cccc(F)c2)[nH]c1=S ZINC000038867118 384097226 /nfs/dbraw/zinc/09/72/26/384097226.db2.gz VOYCBOPDKFBWDW-UHFFFAOYSA-N 0 0 209.249 2.284 10 0 BEAERN Cc1ccc([C@H]2Cc3n[nH]cc3[C@@H](O)C2)cc1 ZINC000072415191 384098667 /nfs/dbraw/zinc/09/86/67/384098667.db2.gz BTBJZKPZZIPCMY-FZMZJTMJSA-N 0 0 228.295 2.482 10 0 BEAERN c1cnc2c(c1)cccc2C1OCCO1 ZINC000039120850 384106167 /nfs/dbraw/zinc/10/61/67/384106167.db2.gz LYJRUEHWVFFOKC-UHFFFAOYSA-N 0 0 201.225 2.280 10 0 BEAERN O=C1c2ccccc2CC[C@H]1C[C@@H]1COCCO1 ZINC000039135163 384108001 /nfs/dbraw/zinc/10/80/01/384108001.db2.gz RMGQDDXUUCJTHW-QWHCGFSZSA-N 0 0 246.306 2.237 10 0 BEAERN Nc1nccc(-c2nc3ccccc3s2)n1 ZINC000072416263 384112068 /nfs/dbraw/zinc/11/20/68/384112068.db2.gz BTRBIADVNBUWCG-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Cc1ccc(C)c(OCC(N)=S)c1C ZINC000005592670 384121657 /nfs/dbraw/zinc/12/16/57/384121657.db2.gz JNELYZITPCQTGR-UHFFFAOYSA-N 0 0 209.314 2.277 10 0 BEAERN C[C@H](NCc1ccccn1)c1nccs1 ZINC000070621418 384123602 /nfs/dbraw/zinc/12/36/02/384123602.db2.gz BUFLFHVSRCFTJC-VIFPVBQESA-N 0 0 219.313 2.389 10 0 BEAERN Cc1cnn(CCNC(=O)CC2CCCCC2)c1 ZINC000117814193 384181927 /nfs/dbraw/zinc/18/19/27/384181927.db2.gz HDIFDQQKELJBLT-UHFFFAOYSA-N 0 0 249.358 2.278 10 0 BEAERN Cc1cnn(CCNC(=O)CC2=CCCCC2)c1 ZINC000117816063 384182222 /nfs/dbraw/zinc/18/22/22/384182222.db2.gz SOYDVLVBWIIQNU-UHFFFAOYSA-N 0 0 247.342 2.198 10 0 BEAERN Cc1nsc(N[C@@H](C)c2ncc(C)o2)n1 ZINC000226547240 384182846 /nfs/dbraw/zinc/18/28/46/384182846.db2.gz LDKIEQFGUGXBOT-LURJTMIESA-N 0 0 224.289 2.316 10 0 BEAERN Clc1cc(Nc2cc(Cl)ncn2)ncn1 ZINC000071974108 384190654 /nfs/dbraw/zinc/19/06/54/384190654.db2.gz PKUJDWITCJBTHB-UHFFFAOYSA-N 0 0 242.069 2.317 10 0 BEAERN CCCCNc1ncnc2n[nH]c(SC)c21 ZINC000041528559 384192774 /nfs/dbraw/zinc/19/27/74/384192774.db2.gz NAKAGNZSBHZHAP-UHFFFAOYSA-N 0 0 237.332 2.287 10 0 BEAERN CCCCOCC(=O)N1CCOc2ccccc21 ZINC000118206626 384193727 /nfs/dbraw/zinc/19/37/27/384193727.db2.gz GHKXHGSFQBYVOL-UHFFFAOYSA-N 0 0 249.310 2.229 10 0 BEAERN COc1cc(C)sc1C(=O)N[C@H]1C[C@@H]1C ZINC000072788276 384234040 /nfs/dbraw/zinc/23/40/40/384234040.db2.gz SQXWMNRUCWSQMC-XPUUQOCRSA-N 0 0 225.313 2.203 10 0 BEAERN c1cc([C@H]2CN(c3cnccn3)CCO2)cs1 ZINC000132050281 384214270 /nfs/dbraw/zinc/21/42/70/384214270.db2.gz XUCYAKHLGGAINC-LLVKDONJSA-N 0 0 247.323 2.116 10 0 BEAERN CCOC(=O)CSc1ccc([C@H](C)O)cc1 ZINC000082616866 384251660 /nfs/dbraw/zinc/25/16/60/384251660.db2.gz ZAYMVLHANSCUMM-VIFPVBQESA-N 0 0 240.324 2.395 10 0 BEAERN CC(C)n1nnnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000173810183 384267883 /nfs/dbraw/zinc/26/78/83/384267883.db2.gz CXYCNRLEVRUOHZ-NEPJUHHUSA-N 0 0 249.362 2.019 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000133685169 384306417 /nfs/dbraw/zinc/30/64/17/384306417.db2.gz UMQOQNZJOXZUDV-VXGBXAGGSA-N 0 0 235.327 2.050 10 0 BEAERN Cn1cc2c(n1)ncnc2NCCC1=CCCC1 ZINC000133272899 384282442 /nfs/dbraw/zinc/28/24/42/384282442.db2.gz JDGYYXGQSRNVBG-UHFFFAOYSA-N 0 0 243.314 2.276 10 0 BEAERN C[C@H](CO)[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC000133503379 384295589 /nfs/dbraw/zinc/29/55/89/384295589.db2.gz URAVZJWGBUIYEK-ZJUUUORDSA-N 0 0 247.294 2.180 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000134268635 384343416 /nfs/dbraw/zinc/34/34/16/384343416.db2.gz UNYHHRDKHQIESE-BXKDBHETSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCC1(c2ccccc2)CC1 ZINC000075982195 384351799 /nfs/dbraw/zinc/35/17/99/384351799.db2.gz CVKFVOWEJDXBGY-YPMHNXCESA-N 0 0 244.338 2.426 10 0 BEAERN O=C1c2ccccc2O[C@]1(O)Cc1ccccc1 ZINC000013376422 384356233 /nfs/dbraw/zinc/35/62/33/384356233.db2.gz VKYKBJAXUAMRLH-OAHLLOKOSA-N 0 0 240.258 2.193 10 0 BEAERN Nc1ccc(OC(=O)c2ccccc2)cc1O ZINC000095081313 384358567 /nfs/dbraw/zinc/35/85/67/384358567.db2.gz OKQMMYXSGIVBLI-UHFFFAOYSA-N 0 0 229.235 2.194 10 0 BEAERN CC(=O)c1ccccc1CNC(F)(F)F ZINC000095082682 384358675 /nfs/dbraw/zinc/35/86/75/384358675.db2.gz WXTVBPCZFWYKIK-UHFFFAOYSA-N 0 0 217.190 2.499 10 0 BEAERN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]12 ZINC000013465815 384358846 /nfs/dbraw/zinc/35/88/46/384358846.db2.gz ZCJHLBHJGLCVRU-KRCWLIRBSA-N 0 0 240.302 2.015 10 0 BEAERN CCN1C(=O)c2cc3ccccc3n2C1=S ZINC000013487548 384362600 /nfs/dbraw/zinc/36/26/00/384362600.db2.gz NVUFFRKPYUMDKS-UHFFFAOYSA-N 0 0 230.292 2.250 10 0 BEAERN CC(C)c1cc(=O)c2cc(N)ccc2[nH]1 ZINC000095221044 384367861 /nfs/dbraw/zinc/36/78/61/384367861.db2.gz KGKVXNJHRSTRDP-UHFFFAOYSA-N 0 0 202.257 2.234 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2ccccc2)no1 ZINC000075513415 384326825 /nfs/dbraw/zinc/32/68/25/384326825.db2.gz KSBSOXRIGUOUQX-KOLCDFICSA-N 0 0 242.278 2.480 10 0 BEAERN CCSc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccn1 ZINC000075508388 384327018 /nfs/dbraw/zinc/32/70/18/384327018.db2.gz PGRJDHPIFSHSGM-WCBMZHEXSA-N 0 0 236.340 2.332 10 0 BEAERN Cc1ccc(CC(=O)N[C@H]2C[C@H]2C)s1 ZINC000075507353 384327734 /nfs/dbraw/zinc/32/77/34/384327734.db2.gz ZVYRAQRIQJJWEI-XCBNKYQSSA-N 0 0 209.314 2.124 10 0 BEAERN CCc1ccccc1OCC(=O)N[C@H]1C[C@H]1C ZINC000075530723 384329705 /nfs/dbraw/zinc/32/97/05/384329705.db2.gz VJVJXTKRHGSSSP-PWSUYJOCSA-N 0 0 233.311 2.152 10 0 BEAERN CC(=O)CCCn1c2ccccc2sc1=O ZINC000120986515 384392206 /nfs/dbraw/zinc/39/22/06/384392206.db2.gz AMBPIVQEQOHPTA-UHFFFAOYSA-N 0 0 235.308 2.432 10 0 BEAERN CC(C)(C)OC[C@@H]1CCC[C@@H](NC(N)=O)C1 ZINC000095829889 384400329 /nfs/dbraw/zinc/40/03/29/384400329.db2.gz OZHJLDAAMKVCCJ-NXEZZACHSA-N 0 0 228.336 2.029 10 0 BEAERN CC[C@H](CC(=O)NCc1noc(C)n1)C(C)C ZINC000134983627 384403074 /nfs/dbraw/zinc/40/30/74/384403074.db2.gz ZPRRHJNVJHRHDR-SNVBAGLBSA-N 0 0 239.319 2.067 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cccc(Cl)n1 ZINC000135081176 384411389 /nfs/dbraw/zinc/41/13/89/384411389.db2.gz ODJJYQAHURJVOJ-YUMQZZPRSA-N 0 0 212.680 2.324 10 0 BEAERN Cc1c(OC(F)F)ccc(F)c1CO ZINC000575660954 384411877 /nfs/dbraw/zinc/41/18/77/384411877.db2.gz FAQGMBOHOAOWSO-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN O=Cc1n[nH]c2cc(F)cc(Br)c12 ZINC000014983308 384412322 /nfs/dbraw/zinc/41/23/22/384412322.db2.gz WIGPBERBKUHDNM-UHFFFAOYSA-N 0 0 243.035 2.277 10 0 BEAERN CC(C)c1nn(C)c2ncnc(Cl)c12 ZINC000095935587 384414041 /nfs/dbraw/zinc/41/40/41/384414041.db2.gz YUBBOBJNBLGPHC-UHFFFAOYSA-N 0 0 210.668 2.140 10 0 BEAERN O=Cc1ccc(-c2ncc(F)cn2)cc1 ZINC000095935473 384414267 /nfs/dbraw/zinc/41/42/67/384414267.db2.gz HUYGPCBAZFFELO-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN CC(C)(O)c1cc(O)ccc1Br ZINC000095935540 384414711 /nfs/dbraw/zinc/41/47/11/384414711.db2.gz HALFCCXKUQDDQJ-UHFFFAOYSA-N 0 0 231.089 2.382 10 0 BEAERN Cc1cc(O)cc(OC(F)F)c1C=O ZINC000575663393 384425074 /nfs/dbraw/zinc/42/50/74/384425074.db2.gz YIINKPIHIDTVHH-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN CCc1ccc2nc(NCCO)sc2c1 ZINC000045237253 384382678 /nfs/dbraw/zinc/38/26/78/384382678.db2.gz XPTTYSHYZRCPAW-UHFFFAOYSA-N 0 0 222.313 2.263 10 0 BEAERN CCc1csc(NC[C@H]2CCC[C@H]2O)n1 ZINC000084232713 384384139 /nfs/dbraw/zinc/38/41/39/384384139.db2.gz ONNCPPMUGJNFPM-PSASIEDQSA-N 0 0 226.345 2.278 10 0 BEAERN CCCC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000120895339 384387517 /nfs/dbraw/zinc/38/75/17/384387517.db2.gz XQGDSMLIHMNGDJ-NSHDSACASA-N 0 0 239.340 2.448 10 0 BEAERN Cc1ccn2c(c1)nnc2NC(=O)C=C1CCC1 ZINC000121981245 384447014 /nfs/dbraw/zinc/44/70/14/384447014.db2.gz UNENXDSJEQBMNB-UHFFFAOYSA-N 0 0 242.282 2.087 10 0 BEAERN CC(=O)c1cc(C(F)F)c(C=O)cc1O ZINC000575670303 384454728 /nfs/dbraw/zinc/45/47/28/384454728.db2.gz ZJSWAWNKWNSATE-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN CN(CC1CCCC1)C(=O)CCc1ccnn1C ZINC000121644051 384428541 /nfs/dbraw/zinc/42/85/41/384428541.db2.gz XAUXGDQMGHMHIT-UHFFFAOYSA-N 0 0 249.358 2.001 10 0 BEAERN COc1cc(OC(F)F)cc(C)c1O ZINC000575665548 384431706 /nfs/dbraw/zinc/43/17/06/384431706.db2.gz PKVQVQWWPRJGAG-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN C[C@@H]1CCN[C@H](c2cscn2)S1 ZINC000126795074 384477483 /nfs/dbraw/zinc/47/74/83/384477483.db2.gz CYAZAFRNWPBAMQ-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000150833180 384510062 /nfs/dbraw/zinc/51/00/62/384510062.db2.gz WJDDLJRYEYNMOR-NAKRPEOUSA-N 0 0 213.321 2.105 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncnc2c1CCCCC2 ZINC000149960619 384487688 /nfs/dbraw/zinc/48/76/88/384487688.db2.gz VTBGXJCJDWDVLV-JQWIXIFHSA-N 0 0 247.342 2.335 10 0 BEAERN C[C@H]1C[C@@H](O)CN(Cc2cccc(F)c2F)C1 ZINC000334745740 384487649 /nfs/dbraw/zinc/48/76/49/384487649.db2.gz KGOYOAWIEUPPNS-GXSJLCMTSA-N 0 0 241.281 2.168 10 0 BEAERN CCS[C@@H](C)c1noc(Cn2ccnc2)n1 ZINC000136339213 384490940 /nfs/dbraw/zinc/49/09/40/384490940.db2.gz NQUFZGZGASFVNM-QMMMGPOBSA-N 0 0 238.316 2.129 10 0 BEAERN C[NH2+][C@@]1(c2nc(C)cs2)CCCSC1 ZINC000061590711 384519122 /nfs/dbraw/zinc/51/91/22/384519122.db2.gz ZQKPXELGELVPJU-JTQLQIEISA-N 0 0 228.386 2.393 10 0 BEAERN CC(C)CNC(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000489825351 384523724 /nfs/dbraw/zinc/52/37/24/384523724.db2.gz GCKZJHBQLYDXAO-NEPJUHHUSA-N 0 0 242.363 2.003 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)C(C2CC2)C2CC2)O1 ZINC000151159836 384545252 /nfs/dbraw/zinc/54/52/52/384545252.db2.gz DFSZLRPFOOCAGK-SKDRFNHKSA-N 0 0 237.343 2.201 10 0 BEAERN C[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)C(C)(C)C ZINC000354364056 384552478 /nfs/dbraw/zinc/55/24/78/384552478.db2.gz ALNATBDDBBTOMR-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cc(CN2CCCC[C@H]2c2cn[nH]c2)on1 ZINC000172271289 384559391 /nfs/dbraw/zinc/55/93/91/384559391.db2.gz RMXIERUHCZRFMG-ZDUSSCGKSA-N 0 0 246.314 2.433 10 0 BEAERN Cc1ccnc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000184071415 384559908 /nfs/dbraw/zinc/55/99/08/384559908.db2.gz VKIBQXRXIKUZCQ-MNOVXSKESA-N 0 0 249.314 2.079 10 0 BEAERN CCC[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151033445 384537154 /nfs/dbraw/zinc/53/71/54/384537154.db2.gz LXVPTIALBUMATL-YNEHKIRRSA-N 0 0 241.375 2.480 10 0 BEAERN CCC1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000176155095 384572221 /nfs/dbraw/zinc/57/22/21/384572221.db2.gz NCPBWEQPYFZFPV-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1C[C@H]1Nc1cncc(N[C@H]2C[C@H]2C)n1 ZINC000309752874 384583233 /nfs/dbraw/zinc/58/32/33/384583233.db2.gz HBNIVOHTWVXVHQ-KYXWUPHJSA-N 0 0 218.304 2.117 10 0 BEAERN Nc1ccccc1CNC(=O)C1CCCCC1 ZINC000050015114 384583535 /nfs/dbraw/zinc/58/35/35/384583535.db2.gz IRWRXPSYKQPBFA-UHFFFAOYSA-N 0 0 232.327 2.465 10 0 BEAERN Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)nc1 ZINC000184233153 384584010 /nfs/dbraw/zinc/58/40/10/384584010.db2.gz UWJHBRFAGDMGJW-WDEREUQCSA-N 0 0 249.314 2.079 10 0 BEAERN CS[C@H](C)C(=O)N1CCCC1(C)C ZINC000102918647 384587895 /nfs/dbraw/zinc/58/78/95/384587895.db2.gz GCUYFUQDHFELDX-MRVPVSSYSA-N 0 0 201.335 2.139 10 0 BEAERN Cc1cnn(CC[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000123876819 384590035 /nfs/dbraw/zinc/59/00/35/384590035.db2.gz UNFHUMWSBBECAF-LBPRGKRZSA-N 0 0 233.315 2.444 10 0 BEAERN O=c1[nH]ccc2c(Br)ccc(F)c12 ZINC000082767352 384563953 /nfs/dbraw/zinc/56/39/53/384563953.db2.gz OPESYULZMXGCPX-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN CCc1cc(C#N)c(C=O)cc1C(C)=O ZINC000575646542 384564071 /nfs/dbraw/zinc/56/40/71/384564071.db2.gz ONQXRAUBVKGFBD-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc(F)c1C=O ZINC000575646583 384564219 /nfs/dbraw/zinc/56/42/19/384564219.db2.gz IQXAOUMTIQYQCJ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1COc2cnccc21 ZINC000098209986 384603656 /nfs/dbraw/zinc/60/36/56/384603656.db2.gz OIZSFFWLQBTEKT-SECBINFHSA-N 0 0 236.271 2.040 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccc(C)c(F)c1 ZINC000103362486 384607962 /nfs/dbraw/zinc/60/79/62/384607962.db2.gz MZSIYHJWJXUAEV-SNVBAGLBSA-N 0 0 239.290 2.033 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000103356942 384609864 /nfs/dbraw/zinc/60/98/64/384609864.db2.gz WWSUKVHRTQXSSD-QWHCGFSZSA-N 0 0 249.354 2.406 10 0 BEAERN CO[C@@H](c1nc(N)c(C)s1)C(C)C ZINC000158966806 384612152 /nfs/dbraw/zinc/61/21/52/384612152.db2.gz ICDDAWIACCJUCG-SSDOTTSWSA-N 0 0 200.307 2.377 10 0 BEAERN C[N@@H+]1C=C[C@@H](C(=O)[O-])C=C1Cc1ccccc1 ZINC000100168042 384621780 /nfs/dbraw/zinc/62/17/80/384621780.db2.gz GNGLPEVQDXXSTN-GFCCVEGCSA-N 0 0 229.279 2.273 10 0 BEAERN O=C1CN(Cc2ccccc2)CCC12CC2 ZINC000084309250 384627024 /nfs/dbraw/zinc/62/70/24/384627024.db2.gz QKYTURSBAUAOBW-UHFFFAOYSA-N 0 0 215.296 2.242 10 0 BEAERN Cc1occc1CN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000150791404 384595072 /nfs/dbraw/zinc/59/50/72/384595072.db2.gz VPLAVQMYGHQZFR-CABZTGNLSA-N 0 0 237.299 2.114 10 0 BEAERN CC1=C(Br)C2(CC1)OCCO2 ZINC000098179342 384598594 /nfs/dbraw/zinc/59/85/94/384598594.db2.gz IPBCXIXWRCFUSF-UHFFFAOYSA-N 0 0 219.078 2.192 10 0 BEAERN Cc1c2ccnn2ccc1Br ZINC000098179713 384601693 /nfs/dbraw/zinc/60/16/93/384601693.db2.gz RFWNGIVOWMSQPT-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN COc1c(C)cc(Br)nc1C ZINC000098179594 384602538 /nfs/dbraw/zinc/60/25/38/384602538.db2.gz PENZXXCPRLNOBE-UHFFFAOYSA-N 0 0 216.078 2.470 10 0 BEAERN c1cnc2c(c1)nnn2-c1ccc2c(c1)CCC2 ZINC000169321734 384669185 /nfs/dbraw/zinc/66/91/85/384669185.db2.gz SXGBIKPTZQCCKU-UHFFFAOYSA-N 0 0 236.278 2.304 10 0 BEAERN C[C@H](Nc1nccc(CO)n1)c1cccs1 ZINC000309858644 384672302 /nfs/dbraw/zinc/67/23/02/384672302.db2.gz LOVUCJDNUGTYNO-QMMMGPOBSA-N 0 0 235.312 2.204 10 0 BEAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC1 ZINC000173337523 384674495 /nfs/dbraw/zinc/67/44/95/384674495.db2.gz OIZMHVGOHXZRKI-LBPRGKRZSA-N 0 0 248.326 2.007 10 0 BEAERN CC(C)c1cc(C(=O)N[C@H](C)C(C)C)nn1C ZINC000081812595 384635708 /nfs/dbraw/zinc/63/57/08/384635708.db2.gz VTQIUAHCCVKVCS-SNVBAGLBSA-N 0 0 237.347 2.318 10 0 BEAERN CC(C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000172976272 384640899 /nfs/dbraw/zinc/64/08/99/384640899.db2.gz KPTFPBSHGDOBCO-GFCCVEGCSA-N 0 0 235.327 2.364 10 0 BEAERN CS[C@@H]1C(=O)Nc2ncc(Cl)cc21 ZINC000100461247 384641271 /nfs/dbraw/zinc/64/12/71/384641271.db2.gz JGRGYAIREVLEAJ-LURJTMIESA-N 0 0 214.677 2.091 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000154713688 384655607 /nfs/dbraw/zinc/65/56/07/384655607.db2.gz DKTALAHFIUPYMQ-ZJUUUORDSA-N 0 0 213.321 2.249 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)O1 ZINC000154729017 384660980 /nfs/dbraw/zinc/66/09/80/384660980.db2.gz QIUFVWBNCYKGGU-BNDIWNMDSA-N 0 0 239.359 2.495 10 0 BEAERN CC(=O)c1cccc(OCc2ccno2)c1 ZINC000020253840 384677401 /nfs/dbraw/zinc/67/74/01/384677401.db2.gz KMARVXBIJYYLLD-UHFFFAOYSA-N 0 0 217.224 2.456 10 0 BEAERN CC[C@@H](C)CN(C)Cc1nnc(C)n1CC ZINC000171950118 384680954 /nfs/dbraw/zinc/68/09/54/384680954.db2.gz UWRWWCUXMLMIGE-SNVBAGLBSA-N 0 0 224.352 2.084 10 0 BEAERN C[C@@H](O)CN(C)c1ccc2ccccc2n1 ZINC000051821200 384688738 /nfs/dbraw/zinc/68/87/38/384688738.db2.gz KRLKYGAPNAFVNR-SNVBAGLBSA-N 0 0 216.284 2.052 10 0 BEAERN C[C@@H](O)CN(C)C(=O)c1cccc2ccccc21 ZINC000051817856 384690851 /nfs/dbraw/zinc/69/08/51/384690851.db2.gz VBLYGWAVTCDAAQ-LLVKDONJSA-N 0 0 243.306 2.293 10 0 BEAERN CCOC(=O)/C=C(/COC(C)=O)c1ccccc1 ZINC000220196960 384692062 /nfs/dbraw/zinc/69/20/62/384692062.db2.gz DGGFSVDUEHYORI-LCYFTJDESA-N 0 0 248.278 2.196 10 0 BEAERN O=C(c1cc(F)c(Cl)cc1F)N1CCCO1 ZINC000125370555 384714293 /nfs/dbraw/zinc/71/42/93/384714293.db2.gz UDRXONRVWLBQAV-UHFFFAOYSA-N 0 0 247.628 2.396 10 0 BEAERN Cc1ccc(SCC(=O)N2CCCO2)cc1 ZINC000125363990 384715412 /nfs/dbraw/zinc/71/54/12/384715412.db2.gz GUGRDIXSKWKSGZ-UHFFFAOYSA-N 0 0 237.324 2.251 10 0 BEAERN CO[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000083502300 384775345 /nfs/dbraw/zinc/77/53/45/384775345.db2.gz BTWZFGGEWSOVHW-BDAKNGLRSA-N 0 0 215.293 2.079 10 0 BEAERN Fc1cccc(Cc2nnc(Cl)o2)c1 ZINC000157785763 384740154 /nfs/dbraw/zinc/74/01/54/384740154.db2.gz PTMZPUYWBGZAQK-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC2(C1)CCCCC2 ZINC000174001694 384742344 /nfs/dbraw/zinc/74/23/44/384742344.db2.gz VBFFTCQWXJHGAL-GFCCVEGCSA-N 0 0 239.359 2.452 10 0 BEAERN C[C@H](Nc1cnn(C)c1)c1nccs1 ZINC000083142658 384743569 /nfs/dbraw/zinc/74/35/69/384743569.db2.gz FRECWROPMQNABS-ZETCQYMHSA-N 0 0 208.290 2.050 10 0 BEAERN CC(C)(C(=O)N[C@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000648156738 384748227 /nfs/dbraw/zinc/74/82/27/384748227.db2.gz ZNULWWILFYNDTA-NWDGAFQWSA-N 0 0 239.359 2.232 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000648156344 384748903 /nfs/dbraw/zinc/74/89/03/384748903.db2.gz AVEMFEWMQDSOLE-FVCCEPFGSA-N 0 0 239.359 2.088 10 0 BEAERN CC(C)(C(=O)N[C@@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000648156740 384748920 /nfs/dbraw/zinc/74/89/20/384748920.db2.gz ZNULWWILFYNDTA-VXGBXAGGSA-N 0 0 239.359 2.232 10 0 BEAERN CC(=O)c1ccc(Oc2cncnc2)cc1 ZINC000083252066 384755763 /nfs/dbraw/zinc/75/57/63/384755763.db2.gz JJHHDLWPOOGMNK-UHFFFAOYSA-N 0 0 214.224 2.472 10 0 BEAERN O=Cc1ccc2[nH]nc(C(F)(F)F)c2c1 ZINC000083298467 384757362 /nfs/dbraw/zinc/75/73/62/384757362.db2.gz WCTDBYJZHXTIOB-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000053010021 384758712 /nfs/dbraw/zinc/75/87/12/384758712.db2.gz XJLFQLWHYVFSPY-LDYMZIIASA-N 0 0 207.248 2.272 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCC1(C)CCCC1 ZINC000108885565 384759567 /nfs/dbraw/zinc/75/95/67/384759567.db2.gz CIAJJFAUEJKCJM-ZJUUUORDSA-N 0 0 210.321 2.274 10 0 BEAERN Cc1nc(C)c(C(=O)N[C@@H](C)C(C)C)o1 ZINC000174158370 384760113 /nfs/dbraw/zinc/76/01/13/384760113.db2.gz ZACYKCZJNZIZPO-ZETCQYMHSA-N 0 0 210.277 2.066 10 0 BEAERN COC[C@H](C)C(=O)Oc1cc(C)ccc1C ZINC000103357186 384761679 /nfs/dbraw/zinc/76/16/79/384761679.db2.gz IHIUXKOVQLTGQP-NSHDSACASA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000103357218 384762654 /nfs/dbraw/zinc/76/26/54/384762654.db2.gz JZKNVRUQDGBHDV-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000103357118 384762764 /nfs/dbraw/zinc/76/27/64/384762764.db2.gz LWBCZIFSFOCQTO-ZETCQYMHSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(F)cc1 ZINC000103356314 384762795 /nfs/dbraw/zinc/76/27/95/384762795.db2.gz GWMFPAASLQSYRQ-QMMMGPOBSA-N 0 0 212.220 2.014 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000103355829 384763524 /nfs/dbraw/zinc/76/35/24/384763524.db2.gz GIOYIDMRCQOQGH-VIFPVBQESA-N 0 0 241.718 2.239 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000103359988 384765172 /nfs/dbraw/zinc/76/51/72/384765172.db2.gz DIAMXXFNHGKDPB-VXGBXAGGSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000103358101 384765266 /nfs/dbraw/zinc/76/52/66/384765266.db2.gz ZJGJTOFDJRNWGY-SECBINFHSA-N 0 0 235.283 2.110 10 0 BEAERN CCOc1ccccc1NC(=O)[C@H](C)COC ZINC000103357647 384765399 /nfs/dbraw/zinc/76/53/99/384765399.db2.gz WZERSLDYQONDRO-SNVBAGLBSA-N 0 0 237.299 2.306 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1nc2ccccc2o1 ZINC000103363640 384765633 /nfs/dbraw/zinc/76/56/33/384765633.db2.gz YBLKQFJWRSNHSE-SECBINFHSA-N 0 0 248.282 2.073 10 0 BEAERN CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)COC ZINC000103393994 384768483 /nfs/dbraw/zinc/76/84/83/384768483.db2.gz WKZAVCXCRKTLPF-OCCSQVGLSA-N 0 0 249.354 2.406 10 0 BEAERN COC[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000103388176 384768858 /nfs/dbraw/zinc/76/88/58/384768858.db2.gz QFECPFAYDJSZHX-OCCSQVGLSA-N 0 0 247.338 2.285 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000103429234 384770452 /nfs/dbraw/zinc/77/04/52/384770452.db2.gz FECSZBPXFHNQQD-YPMHNXCESA-N 0 0 248.326 2.028 10 0 BEAERN Cn1c2ccccc2c2cc(N)c(N)cc21 ZINC000146946460 384825005 /nfs/dbraw/zinc/82/50/05/384825005.db2.gz RDYAQIGKFIJYAI-UHFFFAOYSA-N 0 0 211.268 2.496 10 0 BEAERN CCCn1nc(C)c(C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000126849934 384838048 /nfs/dbraw/zinc/83/80/48/384838048.db2.gz PWBWSBRKONWQMS-KWQFWETISA-N 0 0 235.331 2.048 10 0 BEAERN CCc1c(OC)cc(C(F)(F)F)cc1C(N)=O ZINC000575704385 384781964 /nfs/dbraw/zinc/78/19/64/384781964.db2.gz VKNGPHUNEHYPQV-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN O=Cc1cc(O)cc(C(F)(F)F)c1F ZINC000575703789 384782681 /nfs/dbraw/zinc/78/26/81/384782681.db2.gz JTPWZFFARXCJOM-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN Cc1nnc(NCC2C[C@H](C)O[C@@H](C)C2)s1 ZINC000309736274 384785584 /nfs/dbraw/zinc/78/55/84/384785584.db2.gz CLWUMQTVBCPOAM-YUMQZZPRSA-N 0 0 241.360 2.462 10 0 BEAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 ZINC000103056943 384788063 /nfs/dbraw/zinc/78/80/63/384788063.db2.gz YVJYJDIAZBWSRL-NEPJUHHUSA-N 0 0 247.342 2.421 10 0 BEAERN Nc1nc(Cl)cc(-c2ccc(Cl)nc2)n1 ZINC000146388019 384795095 /nfs/dbraw/zinc/79/50/95/384795095.db2.gz UEQMHEAIEXLVAM-UHFFFAOYSA-N 0 0 241.081 2.428 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000185953682 384798060 /nfs/dbraw/zinc/79/80/60/384798060.db2.gz QFMPNBNQMHZNGX-OLZOCXBDSA-N 0 0 249.358 2.134 10 0 BEAERN Brc1ncc(-n2ccnc2)s1 ZINC000072193213 384809762 /nfs/dbraw/zinc/80/97/62/384809762.db2.gz HJKKLTUAKMKPPV-UHFFFAOYSA-N 0 0 230.090 2.091 10 0 BEAERN COCc1nsc(N[C@@H](C)C(C)C)n1 ZINC000301456477 384876448 /nfs/dbraw/zinc/87/64/48/384876448.db2.gz WMYHYMCZSOJCIF-ZETCQYMHSA-N 0 0 215.322 2.141 10 0 BEAERN CCS[C@H]1CC[C@]1(O)CNc1ccccn1 ZINC000301495519 384880957 /nfs/dbraw/zinc/88/09/57/384880957.db2.gz SRFCDNNRAYOGCQ-JQWIXIFHSA-N 0 0 238.356 2.140 10 0 BEAERN CCCC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000105851226 384882544 /nfs/dbraw/zinc/88/25/44/384882544.db2.gz OZSWQSORNPLOKS-GFCCVEGCSA-N 0 0 249.358 2.409 10 0 BEAERN Cc1cnn([C@H]2CCCN(C(=O)C(C)C)C2)c1 ZINC000105859011 384883345 /nfs/dbraw/zinc/88/33/45/384883345.db2.gz PJTPODSLEJCODO-LBPRGKRZSA-N 0 0 235.331 2.011 10 0 BEAERN FC(F)(F)CN1CCC(Cn2cccn2)CC1 ZINC000105886998 384886434 /nfs/dbraw/zinc/88/64/34/384886434.db2.gz NXNHOJZWUSWFEG-UHFFFAOYSA-N 0 0 247.264 2.157 10 0 BEAERN CSCCCCNc1ccnc(C)n1 ZINC000127198899 384843998 /nfs/dbraw/zinc/84/39/98/384843998.db2.gz BBDZDOONIYBBOU-UHFFFAOYSA-N 0 0 211.334 2.340 10 0 BEAERN CCN(C)C(=O)N1CCCC12CCCC2 ZINC000376315510 384857668 /nfs/dbraw/zinc/85/76/68/384857668.db2.gz VFXUDKPFZORCOU-UHFFFAOYSA-N 0 0 210.321 2.467 10 0 BEAERN Clc1cc(Cl)nc(NC[C@H]2CCCO2)n1 ZINC000147986607 384864931 /nfs/dbraw/zinc/86/49/31/384864931.db2.gz KZVCTVDNYOKJOO-ZCFIWIBFSA-N 0 0 248.113 2.374 10 0 BEAERN Clc1cc(Cl)nc(NC[C@@H]2CCCO2)n1 ZINC000147986403 384865127 /nfs/dbraw/zinc/86/51/27/384865127.db2.gz KZVCTVDNYOKJOO-LURJTMIESA-N 0 0 248.113 2.374 10 0 BEAERN CSc1ccc(NCc2ccco2)nn1 ZINC000301213921 384866079 /nfs/dbraw/zinc/86/60/79/384866079.db2.gz YBLDQSDIZOLKFS-UHFFFAOYSA-N 0 0 221.285 2.404 10 0 BEAERN CC(=O)c1cc(F)c(OC(F)F)cc1N ZINC000575716032 384869832 /nfs/dbraw/zinc/86/98/32/384869832.db2.gz GHAARANKUBCYNX-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN Nc1ccc(OC(F)F)c(O)c1Cl ZINC000575720381 384896607 /nfs/dbraw/zinc/89/66/07/384896607.db2.gz MBQBVXUFMHSQQE-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1c(O)c(Cl)ccc1Br ZINC000575720291 384896747 /nfs/dbraw/zinc/89/67/47/384896747.db2.gz UEXKTVRCAIFTFD-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CCc1cc(N)cc(N)c1Br ZINC000575722825 384898072 /nfs/dbraw/zinc/89/80/72/384898072.db2.gz NEYOOMYMHYPDPX-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CCOc1cc(N)c(O)c(Br)c1 ZINC000575722350 384899360 /nfs/dbraw/zinc/89/93/60/384899360.db2.gz IFISHPKJZHTLNT-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOc1cc(OC)cc(N)c1Br ZINC000575722039 384899776 /nfs/dbraw/zinc/89/97/76/384899776.db2.gz DQPVOQHRFHUCEI-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN O=C(CCc1ccc(F)cc1)n1ccnc1 ZINC000049816526 384901505 /nfs/dbraw/zinc/90/15/05/384901505.db2.gz QGFHNJLNKJYPHM-UHFFFAOYSA-N 0 0 218.231 2.295 10 0 BEAERN CCOc1ccc(OC)c(Br)c1N ZINC000575723009 384902327 /nfs/dbraw/zinc/90/23/27/384902327.db2.gz REGSTVGECVWRNG-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000127491900 384903310 /nfs/dbraw/zinc/90/33/10/384903310.db2.gz SSBXGNIDTSSLEJ-STQMWFEESA-N 0 0 249.354 2.497 10 0 BEAERN CCCc1nnc(NC[C@H]2CCC[C@H]2O)s1 ZINC000301647938 384903865 /nfs/dbraw/zinc/90/38/65/384903865.db2.gz FDGFOVBWLUGPDW-RKDXNWHRSA-N 0 0 241.360 2.064 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1Cc2ccccc2C1 ZINC000106270454 384906978 /nfs/dbraw/zinc/90/69/78/384906978.db2.gz HRVSSLDUQSZZPP-SKDRFNHKSA-N 0 0 216.284 2.120 10 0 BEAERN CCCc1nnc(N[C@@H](CCO)C2CC2)s1 ZINC000301672835 384907992 /nfs/dbraw/zinc/90/79/92/384907992.db2.gz OXWRCNWKNUJELC-VIFPVBQESA-N 0 0 241.360 2.064 10 0 BEAERN CCCc1nnc(N[C@H]2CCCC[C@H]2O)s1 ZINC000301673477 384908432 /nfs/dbraw/zinc/90/84/32/384908432.db2.gz PECBQQKDTHUWGA-DTWKUNHWSA-N 0 0 241.360 2.206 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)c(N)cc1N ZINC000575725610 384911308 /nfs/dbraw/zinc/91/13/08/384911308.db2.gz HFDLARXVBJAKDB-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN CCOc1cncc(N[C@@H]2C[C@@H]2CC)n1 ZINC000301707358 384912274 /nfs/dbraw/zinc/91/22/74/384912274.db2.gz SUHBWNIDTZSGEF-DTWKUNHWSA-N 0 0 207.277 2.086 10 0 BEAERN CC(C)=CC[NH2+]Cc1cnc2n1CCCC2 ZINC000376767486 384914628 /nfs/dbraw/zinc/91/46/28/384914628.db2.gz JMVIASKLUHSLQT-UHFFFAOYSA-N 0 0 219.332 2.275 10 0 BEAERN CCOC(=O)c1cc(N)c(C(F)(F)F)cc1N ZINC000575726139 384915934 /nfs/dbraw/zinc/91/59/34/384915934.db2.gz LVIYXVVCTHVOMO-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2nccc(C)n2)C1 ZINC000301781057 384920415 /nfs/dbraw/zinc/92/04/15/384920415.db2.gz NMIAAFCOXHRACZ-MNOVXSKESA-N 0 0 221.304 2.155 10 0 BEAERN COc1c(N)c(C)ccc1OC(F)(F)F ZINC000575730610 384929383 /nfs/dbraw/zinc/92/93/83/384929383.db2.gz YAYCWIMKDZOTJJ-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2cc(C)ncn2)C1 ZINC000301761980 384930759 /nfs/dbraw/zinc/93/07/59/384930759.db2.gz GITLNZSHRLYLEF-QWRGUYRKSA-N 0 0 221.304 2.155 10 0 BEAERN NC(=S)Cc1cccc(F)c1Cl ZINC000157073287 384933755 /nfs/dbraw/zinc/93/37/55/384933755.db2.gz AHNLLKORIDEDSL-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN Cc1nc(CNc2ncccn2)c(C)s1 ZINC000301844325 384937195 /nfs/dbraw/zinc/93/71/95/384937195.db2.gz SEYRYBKZFMODRK-UHFFFAOYSA-N 0 0 220.301 2.162 10 0 BEAERN O=Cc1c[nH]c2cnc(Br)cc12 ZINC000107041901 384944999 /nfs/dbraw/zinc/94/49/99/384944999.db2.gz ZLRGOAPMOUARSO-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187610995 384965852 /nfs/dbraw/zinc/96/58/52/384965852.db2.gz AKUUNIYJQBCHGR-QMMMGPOBSA-N 0 0 241.262 2.055 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(O)cc1F ZINC000164336425 384966932 /nfs/dbraw/zinc/96/69/32/384966932.db2.gz LJFQVAPGTNBNAH-QPUJVOFHSA-N 0 0 237.274 2.450 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(O)cc1F ZINC000164336191 384967745 /nfs/dbraw/zinc/96/77/45/384967745.db2.gz LJFQVAPGTNBNAH-UFBFGSQYSA-N 0 0 237.274 2.450 10 0 BEAERN CN(C)c1nccnc1NC1CCCCC1 ZINC000302196797 384977047 /nfs/dbraw/zinc/97/70/47/384977047.db2.gz OYDCVGVNALGYPU-UHFFFAOYSA-N 0 0 220.320 2.287 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nccnc1N(C)C ZINC000302197535 384979563 /nfs/dbraw/zinc/97/95/63/384979563.db2.gz PKQTVZVNKJFRCH-VHSXEESVSA-N 0 0 220.320 2.143 10 0 BEAERN CC[C@@H](C)n1ncc(Br)c1N ZINC000043666332 384984975 /nfs/dbraw/zinc/98/49/75/384984975.db2.gz IPIAADIVIKVFLE-RXMQYKEDSA-N 0 0 218.098 2.199 10 0 BEAERN Nc1noc(N)c1Cc1ccc(Cl)cc1 ZINC000029335022 384989792 /nfs/dbraw/zinc/98/97/92/384989792.db2.gz OGVOWZUUMYDRLM-UHFFFAOYSA-N 0 0 223.663 2.083 10 0 BEAERN CC(C)OC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000127864638 384990870 /nfs/dbraw/zinc/99/08/70/384990870.db2.gz FWTKKDXRLNOUPY-IUCAKERBSA-N 0 0 217.334 2.357 10 0 BEAERN O=C1Nc2cc(Cl)ccc2N2CCC[C@@H]12 ZINC000086158653 384993418 /nfs/dbraw/zinc/99/34/18/384993418.db2.gz IUFADKPIOVABGG-JTQLQIEISA-N 0 0 222.675 2.261 10 0 BEAERN C[C@@]1(CO)CCC[C@@H]1Nc1ncncc1Cl ZINC000302616264 385001873 /nfs/dbraw/zinc/00/18/73/385001873.db2.gz GAHVJUBHZKEBKU-ONGXEEELSA-N 0 0 241.722 2.093 10 0 BEAERN CCN(CC)c1nc2ccccc2c(OC)n1 ZINC000027097207 385022904 /nfs/dbraw/zinc/02/29/04/385022904.db2.gz LJQRLEGGVBJWSK-UHFFFAOYSA-N 0 0 231.299 2.485 10 0 BEAERN Cn1cc(-c2nc(Br)cs2)cn1 ZINC000086292057 385006621 /nfs/dbraw/zinc/00/66/21/385006621.db2.gz GTTHVKFCBZEMRI-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(F)c1 ZINC000086789670 385048800 /nfs/dbraw/zinc/04/88/00/385048800.db2.gz INBXIWKUWHWZNU-GZMMTYOYSA-N 0 0 207.248 2.272 10 0 BEAERN CCc1ccccc1CC(=O)N[C@@H]1C[C@@H]1C ZINC000188432372 385051737 /nfs/dbraw/zinc/05/17/37/385051737.db2.gz MFRQXAHYWBSWJI-GXFFZTMASA-N 0 0 217.312 2.316 10 0 BEAERN CC(=O)Nc1nc(Br)sc1C ZINC000059709950 385053962 /nfs/dbraw/zinc/05/39/62/385053962.db2.gz BHLDLUBVTFOXSS-UHFFFAOYSA-N 0 0 235.106 2.172 10 0 BEAERN CCOc1cccc2c1cnn2C(C)=O ZINC000059691465 385054068 /nfs/dbraw/zinc/05/40/68/385054068.db2.gz VRNLOHHMALLQRE-UHFFFAOYSA-N 0 0 204.229 2.095 10 0 BEAERN C[C@@H]1OCC[C@]12S[C@@H]1CCO[C@@]1(C)S2 ZINC000031290677 385054289 /nfs/dbraw/zinc/05/42/89/385054289.db2.gz LGPJANFPSFABDB-QCLAVDOMSA-N 0 0 232.370 2.477 10 0 endogenous,in-man BEAERN C[C@H]1OCC[C@H]1NC(=O)C1(C)CCCCC1 ZINC000157048081 385058235 /nfs/dbraw/zinc/05/82/35/385058235.db2.gz GFAVJFRAEUMWHC-GHMZBOCLSA-N 0 0 225.332 2.250 10 0 BEAERN Cc1nc(C)c(F)c(N2[C@H](C)C[C@H]2C)n1 ZINC000336324494 385063784 /nfs/dbraw/zinc/06/37/84/385063784.db2.gz MSDCWKDCKJJLKH-RNFRBKRXSA-N 0 0 209.268 2.220 10 0 BEAERN Nc1cc(C(=O)c2ccc(F)c(N)c2)ccc1F ZINC000060139044 385070306 /nfs/dbraw/zinc/07/03/06/385070306.db2.gz SHQYYSIANBCJHH-UHFFFAOYSA-N 0 0 248.232 2.360 10 0 BEAERN Clc1nc2ncsc2nc1Cl ZINC000060190372 385074135 /nfs/dbraw/zinc/07/41/35/385074135.db2.gz IIBKVHMVAIFESG-UHFFFAOYSA-N 0 0 206.057 2.393 10 0 BEAERN Nc1cc(CO)ccc1N1CCCCCC1 ZINC000058825334 385027558 /nfs/dbraw/zinc/02/75/58/385027558.db2.gz DPKOEKNEKRHUNC-UHFFFAOYSA-N 0 0 220.316 2.142 10 0 BEAERN Nc1nccc(Sc2ccccc2)n1 ZINC000058825445 385027626 /nfs/dbraw/zinc/02/76/26/385027626.db2.gz PZDNIFPKURDRGK-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccco1 ZINC000164748837 385037190 /nfs/dbraw/zinc/03/71/90/385037190.db2.gz LMVDKZQEYXSSIS-VHSXEESVSA-N 0 0 232.287 2.057 10 0 BEAERN COC(=O)C1=CN(C)C=C[C@@H]1c1ccccc1 ZINC000059313629 385045725 /nfs/dbraw/zinc/04/57/25/385045725.db2.gz UKKTVQVIAVVILG-GFCCVEGCSA-N 0 0 229.279 2.286 10 0 BEAERN CS[C@H](C)CNC(=O)[C@H](C)c1cccnc1 ZINC000129107912 385110615 /nfs/dbraw/zinc/11/06/15/385110615.db2.gz PXRHOYZMMUJKTQ-NXEZZACHSA-N 0 0 238.356 2.053 10 0 BEAERN Cc1csc(NC(=O)[C@@H]2CCCO[C@H]2C)n1 ZINC000188970917 385111021 /nfs/dbraw/zinc/11/10/21/385111021.db2.gz RJYTZFLDOBOMSL-DTWKUNHWSA-N 0 0 240.328 2.205 10 0 BEAERN CCC1(CO)COC(c2ccccc2)OC1 ZINC000032133791 385134394 /nfs/dbraw/zinc/13/43/94/385134394.db2.gz GMXSKCYQYXMJFU-UHFFFAOYSA-N 0 0 222.284 2.121 10 0 BEAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000176685184 385135590 /nfs/dbraw/zinc/13/55/90/385135590.db2.gz JSAPVOKQVKNGMO-WCQYABFASA-N 0 0 242.326 2.464 10 0 BEAERN CCONC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081989 385135852 /nfs/dbraw/zinc/13/58/52/385135852.db2.gz JBYDMNVIUKEGAU-DTWKUNHWSA-N 0 0 241.237 2.136 10 0 BEAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000176685195 385136676 /nfs/dbraw/zinc/13/66/76/385136676.db2.gz JSAPVOKQVKNGMO-DGCLKSJQSA-N 0 0 242.326 2.464 10 0 BEAERN CC(C)(C)NC(=O)CSc1ccccn1 ZINC000061061289 385106899 /nfs/dbraw/zinc/10/68/99/385106899.db2.gz NYAGDDKJPVVZRB-UHFFFAOYSA-N 0 0 224.329 2.088 10 0 BEAERN CN(C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000109706524 385187875 /nfs/dbraw/zinc/18/78/75/385187875.db2.gz JYSKYXSKWZIPPY-VIFPVBQESA-N 0 0 219.206 2.046 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1CCCCC1 ZINC000305057975 385192482 /nfs/dbraw/zinc/19/24/82/385192482.db2.gz HTVMMYFUCLALCQ-LLVKDONJSA-N 0 0 227.348 2.090 10 0 BEAERN CCc1cccc2c(CC(=O)N(C)C)c[nH]c21 ZINC000109252760 385144167 /nfs/dbraw/zinc/14/41/67/385144167.db2.gz AMLVUXYJYIXZSA-UHFFFAOYSA-N 0 0 230.311 2.361 10 0 BEAERN Cc1ccc(NC(=O)N[C@H]2C[C@@H]2C)c(C)n1 ZINC000176761115 385145895 /nfs/dbraw/zinc/14/58/95/385145895.db2.gz JHOZNUVJNARALK-CPCISQLKSA-N 0 0 219.288 2.228 10 0 BEAERN CCCCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000062130589 385160563 /nfs/dbraw/zinc/16/05/63/385160563.db2.gz BZKOAUMNHBUDLF-UHFFFAOYSA-N 0 0 249.358 2.312 10 0 BEAERN COC(=O)[C@]1(C)CCCN1Cc1cccs1 ZINC000189989501 385200883 /nfs/dbraw/zinc/20/08/83/385200883.db2.gz ZCMXMRDBXLHJLM-LBPRGKRZSA-N 0 0 239.340 2.276 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2CCCOC2)ccc1F ZINC000109548504 385173632 /nfs/dbraw/zinc/17/36/32/385173632.db2.gz DKDJFRMTJCEULJ-LLVKDONJSA-N 0 0 237.274 2.043 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CC[C@H]2O)C1 ZINC000255190427 385175963 /nfs/dbraw/zinc/17/59/63/385175963.db2.gz XDXSHIJSBJTVSK-HBNTYKKESA-N 0 0 241.331 2.014 10 0 BEAERN CON(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000190151660 385215258 /nfs/dbraw/zinc/21/52/58/385215258.db2.gz UIERTJQLGHNNEQ-ZWNOBZJWSA-N 0 0 248.326 2.431 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)c1ccccc1 ZINC000190242704 385222088 /nfs/dbraw/zinc/22/20/88/385222088.db2.gz QBYOKECIJIDJKE-AAEUAGOBSA-N 0 0 233.311 2.465 10 0 BEAERN CN(CC1CC1)c1ccnc(C2CC2)n1 ZINC000110242911 385225436 /nfs/dbraw/zinc/22/54/36/385225436.db2.gz XEBYVYIWJNVOAF-UHFFFAOYSA-N 0 0 203.289 2.200 10 0 BEAERN c1cncc(CNc2cnc3c(n2)CCCC3)c1 ZINC000310919730 385236709 /nfs/dbraw/zinc/23/67/09/385236709.db2.gz HAZVNXAFGFJYKT-UHFFFAOYSA-N 0 0 240.310 2.363 10 0 BEAERN CC[C@H](SC[C@H](O)CO)c1ccc(F)cc1 ZINC000177427833 385239483 /nfs/dbraw/zinc/23/94/83/385239483.db2.gz KUYAWUVXDNXYPN-NEPJUHHUSA-N 0 0 244.331 2.363 10 0 BEAERN CCc1c(C#N)cc(OC)cc1C(C)=O ZINC000575647192 385239859 /nfs/dbraw/zinc/23/98/59/385239859.db2.gz PRYPIWUCDUCDBK-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(OC)c(C#N)cc1C(C)=O ZINC000575647223 385244349 /nfs/dbraw/zinc/24/43/49/385244349.db2.gz QIFHDONOXTUMEJ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN O=C1N[C@@]2(CCCSC2)Nc2ccccc21 ZINC000108943601 385247306 /nfs/dbraw/zinc/24/73/06/385247306.db2.gz QIUGUIJHXBEOFQ-GFCCVEGCSA-N 0 0 234.324 2.065 10 0 BEAERN CN(C[C@@H]1CCCOC1)c1ccnc(C2CC2)n1 ZINC000110587147 385250569 /nfs/dbraw/zinc/25/05/69/385250569.db2.gz DMQFEZMFASYLFN-NSHDSACASA-N 0 0 247.342 2.217 10 0 BEAERN COCCc1nc2ccc(N)cc2s1 ZINC000062525004 385202583 /nfs/dbraw/zinc/20/25/83/385202583.db2.gz CCSZRARMRRCIAH-UHFFFAOYSA-N 0 0 208.286 2.067 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1F ZINC000063061267 385205509 /nfs/dbraw/zinc/20/55/09/385205509.db2.gz MASNVPAVFIQPCT-GZMMTYOYSA-N 0 0 207.248 2.272 10 0 BEAERN CC(=O)Nc1cccc(-c2c[nH]c(C)n2)c1 ZINC000065382374 385303328 /nfs/dbraw/zinc/30/33/28/385303328.db2.gz CXHZCWALWLDYCS-UHFFFAOYSA-N 0 0 215.256 2.344 10 0 BEAERN Nc1ccc2cnn(CCCCF)c2c1 ZINC000238622765 385260440 /nfs/dbraw/zinc/26/04/40/385260440.db2.gz PWHJMNFNLCOWCZ-UHFFFAOYSA-N 0 0 207.252 2.368 10 0 BEAERN CON(C)C(=O)CCc1sccc1C ZINC000215663217 385322269 /nfs/dbraw/zinc/32/22/69/385322269.db2.gz GDNBKIVUTQPTGM-UHFFFAOYSA-N 0 0 213.302 2.009 10 0 BEAERN O=C(c1ccoc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127600681 385267154 /nfs/dbraw/zinc/26/71/54/385267154.db2.gz JLVMWVTYYZORRM-GXTWGEPZSA-N 0 0 249.310 2.047 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(Cl)cc1O ZINC000153635358 385267356 /nfs/dbraw/zinc/26/73/56/385267356.db2.gz OLBKRWBTYILHHI-ZETCQYMHSA-N 0 0 243.690 2.267 10 0 BEAERN Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000034185136 385274319 /nfs/dbraw/zinc/27/43/19/385274319.db2.gz JKZVLLJDWQAVJW-ZIAGYGMSSA-N 0 0 247.338 2.276 10 0 BEAERN COC(=O)c1cc2c(ccc(C)c2OC)[nH]1 ZINC000034546435 385283992 /nfs/dbraw/zinc/28/39/92/385283992.db2.gz GEUBGUIHUFHEBE-UHFFFAOYSA-N 0 0 219.240 2.272 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)Oc1ccccc1 ZINC000191351458 385300398 /nfs/dbraw/zinc/30/03/98/385300398.db2.gz FQGURQXQQYQPIT-CMPLNLGQSA-N 0 0 220.268 2.407 10 0 BEAERN Cc1ccc2c(c1)[C@H](NC(=O)C(C)(C)O)[C@H](C)C2 ZINC000191887725 385331075 /nfs/dbraw/zinc/33/10/75/385331075.db2.gz ZRVXYDXIRBWKRL-ZWNOBZJWSA-N 0 0 247.338 2.115 10 0 BEAERN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)N(C)C ZINC000178225130 385346225 /nfs/dbraw/zinc/34/62/25/385346225.db2.gz WHGRXYLCSMQRMD-SNVBAGLBSA-N 0 0 234.299 2.264 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(Cl)nc1C ZINC000192484925 385359018 /nfs/dbraw/zinc/35/90/18/385359018.db2.gz UADFDLJHFMDNGO-ZETCQYMHSA-N 0 0 242.706 2.264 10 0 BEAERN CC[C@H](N[C@@H](C)c1ccc(C)o1)C(=O)OC ZINC000168270303 385359080 /nfs/dbraw/zinc/35/90/80/385359080.db2.gz PNEFPYKRXNATIY-UWVGGRQHSA-N 0 0 225.288 2.190 10 0 BEAERN C[C@@H](O)CNc1ncnc2cc(Cl)ccc21 ZINC000120528828 385363272 /nfs/dbraw/zinc/36/32/72/385363272.db2.gz JKDYIPBREJLXQU-SSDOTTSWSA-N 0 0 237.690 2.076 10 0 BEAERN Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000294993607 385365062 /nfs/dbraw/zinc/36/50/62/385365062.db2.gz KXAAFMSPLSTIHN-SMDDNHRTSA-N 0 0 237.318 2.479 10 0 BEAERN CNc1ncncc1OCc1ccccc1 ZINC000307012788 385327121 /nfs/dbraw/zinc/32/71/21/385327121.db2.gz QLONPXQNBQGHEC-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN CCOC[C@@H]1CCCN1c1ccccc1N ZINC000409428809 385327562 /nfs/dbraw/zinc/32/75/62/385327562.db2.gz NIIHEEXYKMFTTE-NSHDSACASA-N 0 0 220.316 2.274 10 0 BEAERN Cc1nnc(CN[C@H](C)c2cccs2)o1 ZINC000181063341 385402690 /nfs/dbraw/zinc/40/26/90/385402690.db2.gz JRSRJQZJZINDDS-SSDOTTSWSA-N 0 0 223.301 2.290 10 0 BEAERN COC(=O)c1c[nH]c2c1c(F)ccc2F ZINC000098091075 385413329 /nfs/dbraw/zinc/41/33/29/385413329.db2.gz HUTLJEDBHFVPKZ-UHFFFAOYSA-N 0 0 211.167 2.233 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1F ZINC000170793363 385445380 /nfs/dbraw/zinc/44/53/80/385445380.db2.gz VBQRGZGXGYNLKS-KCJUWKMLSA-N 0 0 222.263 2.033 10 0 BEAERN CCOc1cccc(CNC(=O)N[C@H]2C[C@H]2C)c1 ZINC000170807196 385447290 /nfs/dbraw/zinc/44/72/90/385447290.db2.gz MMPCERSGYNBITP-MFKMUULPSA-N 0 0 248.326 2.293 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000170806203 385447348 /nfs/dbraw/zinc/44/73/48/385447348.db2.gz NTVHDBFCVUPBGT-KGYLQXTDSA-N 0 0 245.326 2.337 10 0 BEAERN COc1cc(F)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000170824402 385449435 /nfs/dbraw/zinc/44/94/35/385449435.db2.gz LRZIIYMKEZLONF-XVKPBYJWSA-N 0 0 238.262 2.364 10 0 BEAERN Nc1ccc(C(=O)N2CC[C@H](C3CC3)C2)cc1 ZINC000378582907 385449805 /nfs/dbraw/zinc/44/98/05/385449805.db2.gz PPLXFPIOEXMCFZ-LBPRGKRZSA-N 0 0 230.311 2.141 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1cc(F)ccc1F ZINC000171046582 385464590 /nfs/dbraw/zinc/46/45/90/385464590.db2.gz JYOABZXJQXTNRK-PELKAZGASA-N 0 0 239.265 2.422 10 0 BEAERN CCc1ccc(OCC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000171072922 385467124 /nfs/dbraw/zinc/46/71/24/385467124.db2.gz GCYXYECDXWCHJV-GWCFXTLKSA-N 0 0 233.311 2.152 10 0 BEAERN CC(C)(C)[C@@H](N)c1noc(C(F)F)n1 ZINC000156766688 385469087 /nfs/dbraw/zinc/46/90/87/385469087.db2.gz GFLSVARWPUOPGF-BYPYZUCNSA-N 0 0 205.208 2.053 10 0 BEAERN CNc1cc(OC)c(C(=O)OC)cc1Cl ZINC000039318921 385474687 /nfs/dbraw/zinc/47/46/87/385474687.db2.gz QNHYWPOWBUXOTG-UHFFFAOYSA-N 0 0 229.663 2.177 10 0 BEAERN [NH3+][C@@H](c1cccs1)C1(C(=O)[O-])CCC1 ZINC000259477765 385474981 /nfs/dbraw/zinc/47/49/81/385474981.db2.gz POCCSEWNQPVRRQ-QMMMGPOBSA-N 0 0 211.286 2.003 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000171430720 385484691 /nfs/dbraw/zinc/48/46/91/385484691.db2.gz IVWNKUQETLRFBW-NWDGAFQWSA-N 0 0 235.327 2.489 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000171455259 385487202 /nfs/dbraw/zinc/48/72/02/385487202.db2.gz VDCXHNUNOJOLGQ-QWHCGFSZSA-N 0 0 249.354 2.325 10 0 BEAERN CC(C)(O)CN1CC2(CC2)c2ccccc21 ZINC000179374033 385463496 /nfs/dbraw/zinc/46/34/96/385463496.db2.gz AZXFNGWKYUUKBI-UHFFFAOYSA-N 0 0 217.312 2.309 10 0 BEAERN COC(=O)c1[nH]cc(-c2cccc(C)c2)c1N ZINC000328579574 385491638 /nfs/dbraw/zinc/49/16/38/385491638.db2.gz POIWXDZNIDHMBC-UHFFFAOYSA-N 0 0 230.267 2.359 10 0 BEAERN C[C@H](NC(=O)Nc1ccsc1)[C@H]1CCCO1 ZINC000157246677 385494558 /nfs/dbraw/zinc/49/45/58/385494558.db2.gz BHEOLDQKCSXLNV-WCBMZHEXSA-N 0 0 240.328 2.437 10 0 BEAERN C[C@H](C1CC1)n1nccc1NC(=O)c1cc[nH]c1 ZINC000110691051 385495472 /nfs/dbraw/zinc/49/54/72/385495472.db2.gz MVBXETVSLGZTMV-SECBINFHSA-N 0 0 244.298 2.435 10 0 BEAERN COC(C)(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000171593327 385499506 /nfs/dbraw/zinc/49/95/06/385499506.db2.gz GTXFMFDAILOZTL-VIFPVBQESA-N 0 0 225.288 2.190 10 0 BEAERN Cc1ccc([C@@H](C)NCc2nnc(C)o2)o1 ZINC000183083869 385507040 /nfs/dbraw/zinc/50/70/40/385507040.db2.gz SNTJEDZLZAGSQY-MRVPVSSYSA-N 0 0 221.260 2.130 10 0 BEAERN Cc1ccc([C@H](C)NCc2nnc(C)o2)o1 ZINC000183083891 385507344 /nfs/dbraw/zinc/50/73/44/385507344.db2.gz SNTJEDZLZAGSQY-QMMMGPOBSA-N 0 0 221.260 2.130 10 0 BEAERN COC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000171777582 385517280 /nfs/dbraw/zinc/51/72/80/385517280.db2.gz PVIPOQQHPAZMJN-VIFPVBQESA-N 0 0 218.256 2.487 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171974946 385536947 /nfs/dbraw/zinc/53/69/47/385536947.db2.gz MWSSISZVKKOPNL-AAEUAGOBSA-N 0 0 249.358 2.376 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)Cc2cc(C)on2)o1 ZINC000172050347 385545288 /nfs/dbraw/zinc/54/52/88/385545288.db2.gz JSWMGNZZTZKFDB-SNVBAGLBSA-N 0 0 248.282 2.304 10 0 BEAERN Cc1nnc(NC[C@H]2CCO[C@H]2C(C)C)s1 ZINC000309347682 385545937 /nfs/dbraw/zinc/54/59/37/385545937.db2.gz MBDZBHQFVKNRAY-ZJUUUORDSA-N 0 0 241.360 2.320 10 0 BEAERN CC(C)C(=O)NCCOc1ccc(F)cc1F ZINC000106655660 385521441 /nfs/dbraw/zinc/52/14/41/385521441.db2.gz FLGGRZVCXINRDM-UHFFFAOYSA-N 0 0 243.253 2.116 10 0 BEAERN CC[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107082128 385555637 /nfs/dbraw/zinc/55/56/37/385555637.db2.gz CPPUZTWHSAGNTK-SECBINFHSA-N 0 0 245.282 2.265 10 0 BEAERN CO[C@H](C)CCC(=O)N[C@H]1COc2ccccc21 ZINC000181257807 385569062 /nfs/dbraw/zinc/56/90/62/385569062.db2.gz QMUUWCZRTNSHQA-PWSUYJOCSA-N 0 0 249.310 2.051 10 0 BEAERN Cc1[nH]nc2c1ncnc2NCc1ccccc1 ZINC000004353393 385571366 /nfs/dbraw/zinc/57/13/66/385571366.db2.gz CHNKRFXXARCZRN-UHFFFAOYSA-N 0 0 239.282 2.273 10 0 BEAERN CO[C@H](C)Cn1c2ccccc2nc1[C@@H](C)O ZINC000181497193 385582073 /nfs/dbraw/zinc/58/20/73/385582073.db2.gz UUAPJAPYVSOKGP-NXEZZACHSA-N 0 0 234.299 2.125 10 0 BEAERN CCN(C(=O)N[C@H](CCO)C(C)(C)C)C(C)C ZINC000118947372 385609626 /nfs/dbraw/zinc/60/96/26/385609626.db2.gz ABHOTJCAEAQPDJ-LLVKDONJSA-N 0 0 244.379 2.223 10 0 BEAERN CCN(C(=O)N[C@@H](CCO)C(C)(C)C)C(C)C ZINC000118947271 385610477 /nfs/dbraw/zinc/61/04/77/385610477.db2.gz ABHOTJCAEAQPDJ-NSHDSACASA-N 0 0 244.379 2.223 10 0 BEAERN COC(=O)c1c(O)cc(C)cc1Br ZINC000259985069 385637990 /nfs/dbraw/zinc/63/79/90/385637990.db2.gz GWTNKXCFPQKITK-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN O=C([O-])C1([NH+]2CCCC2)CCCCCC1 ZINC000037359764 385640448 /nfs/dbraw/zinc/64/04/48/385640448.db2.gz IZAVYEYQCYNHBO-UHFFFAOYSA-N 0 0 211.305 2.260 10 0 BEAERN CCOc1ccc(C(C)=O)cc1NC(C)=O ZINC000057921500 385650993 /nfs/dbraw/zinc/65/09/93/385650993.db2.gz ZGSWAAQQDVJCJB-UHFFFAOYSA-N 0 0 221.256 2.246 10 0 BEAERN COC(=O)c1c(Cl)ccc(OC)c1OC ZINC000260070018 385662865 /nfs/dbraw/zinc/66/28/65/385662865.db2.gz MEODHPJGARBBQH-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN O=C1Cc2cccnc2N1[C@H]1C=CCCC1 ZINC000211505427 385685658 /nfs/dbraw/zinc/68/56/58/385685658.db2.gz UVQCWKFYFIHFKH-NSHDSACASA-N 0 0 214.268 2.079 10 0 BEAERN Cl/C=C/CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182678487 385694924 /nfs/dbraw/zinc/69/49/24/385694924.db2.gz RXIBERVHBYFFGU-SGRBOOSSSA-N 0 0 226.711 2.084 10 0 BEAERN Cc1cnc(N2CC[C@H](OCCC(C)C)C2)nc1 ZINC000270312298 385696353 /nfs/dbraw/zinc/69/63/53/385696353.db2.gz SQQVUBKCTNTZDO-ZDUSSCGKSA-N 0 0 249.358 2.426 10 0 BEAERN C[C@@]1(O)CC=CC(=O)[C@H]1C(=O)c1ccccc1 ZINC000211852457 385697869 /nfs/dbraw/zinc/69/78/69/385697869.db2.gz KUYXUKKXBUWTRS-GXTWGEPZSA-N 0 0 230.263 2.248 10 0 BEAERN Cc1ccc(F)c(OCc2ccn(C)n2)c1 ZINC000211991046 385702632 /nfs/dbraw/zinc/70/26/32/385702632.db2.gz IEBCDOJPMPQKRE-UHFFFAOYSA-N 0 0 220.247 2.447 10 0 BEAERN Cc1cnc([C@@H](C)NCCOC2CCC2)o1 ZINC000336736359 385739201 /nfs/dbraw/zinc/73/92/01/385739201.db2.gz ITOYZMXXDJWMOL-SNVBAGLBSA-N 0 0 224.304 2.203 10 0 BEAERN COc1nn(C)cc1N[C@H](C)c1cncs1 ZINC000336698974 385754479 /nfs/dbraw/zinc/75/44/79/385754479.db2.gz MZJCBXMEGUFULT-SSDOTTSWSA-N 0 0 238.316 2.058 10 0 BEAERN O=Cc1nc(-c2ccc(Cl)s2)no1 ZINC000258025795 385776783 /nfs/dbraw/zinc/77/67/83/385776783.db2.gz NOGMWCOISGGKFN-UHFFFAOYSA-N 0 0 214.633 2.264 10 0 BEAERN Cc1cc(C)c2[nH]cc3c(=O)[nH]nc-3c2c1 ZINC000040174233 385777472 /nfs/dbraw/zinc/77/74/72/385777472.db2.gz DBIWYGKMICIHNY-UHFFFAOYSA-N 0 0 213.240 2.434 10 0 BEAERN Cc1nc2ccc(C)nn2c1Br ZINC000259044085 385782890 /nfs/dbraw/zinc/78/28/90/385782890.db2.gz KZCBOJKPBGYSTE-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN Cc1cnc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000281973451 385720537 /nfs/dbraw/zinc/72/05/37/385720537.db2.gz VIXOODDMVCXPJE-ZSBIGDGJSA-N 0 0 235.331 2.401 10 0 BEAERN COC(=O)/C=C/c1ncn(C)c1CC=C(C)C ZINC000015219844 385805254 /nfs/dbraw/zinc/80/52/54/385805254.db2.gz LLJZWVUHEIKSRC-SOFGYWHQSA-N 0 0 234.299 2.115 10 0 biogenic BEAERN COC(=O)c1ccc2c(c1C(F)(F)F)OCO2 ZINC000261206050 385807511 /nfs/dbraw/zinc/80/75/11/385807511.db2.gz NCPSXRAIWICPFL-UHFFFAOYSA-N 0 0 248.156 2.221 10 0 BEAERN COC(=O)c1c(Cl)ccc(F)c1OC ZINC000260265829 385814174 /nfs/dbraw/zinc/81/41/74/385814174.db2.gz VEJDAGFVCCQJFO-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)Cc1ccccc1O ZINC000231694861 385814219 /nfs/dbraw/zinc/81/42/19/385814219.db2.gz PTNCPRVFQGBQKB-JQWIXIFHSA-N 0 0 233.311 2.240 10 0 BEAERN CCO[C@H]1OC(=O)[C@@H]2[C@H](CC[C@@H]2C)[C@@H]1C ZINC000215995103 385857692 /nfs/dbraw/zinc/85/76/92/385857692.db2.gz SQKOYPMIMBRHSW-LIJGXYGRSA-N 0 0 212.289 2.204 10 0 BEAERN CCN(C)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000365852746 385827828 /nfs/dbraw/zinc/82/78/28/385827828.db2.gz CIWQFGWKGXJGOC-WDEREUQCSA-N 0 0 210.321 2.323 10 0 BEAERN CCOC(=O)c1cc(OC)cc(OC)c1F ZINC000260340458 385833199 /nfs/dbraw/zinc/83/31/99/385833199.db2.gz ZPCUVKMZFVRQEN-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN CCCCC(=O)N1CCCSCC1 ZINC000121700871 385859015 /nfs/dbraw/zinc/85/90/15/385859015.db2.gz QLHNIDQLYAYDQN-UHFFFAOYSA-N 0 0 201.335 2.142 10 0 BEAERN CCc1ccc(-c2nsc(N)n2)s1 ZINC000051716812 385889670 /nfs/dbraw/zinc/88/96/70/385889670.db2.gz AECSGAASMGQJAK-UHFFFAOYSA-N 0 0 211.315 2.411 10 0 BEAERN COC(=O)Cc1c(F)cc(F)c(Cl)c1F ZINC000260579246 385907483 /nfs/dbraw/zinc/90/74/83/385907483.db2.gz ZKRZOPWIIYBVBA-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN CC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000071509928 385914845 /nfs/dbraw/zinc/91/48/45/385914845.db2.gz MXOMDZCMFQSNMW-UHFFFAOYSA-N 0 0 206.176 2.078 10 0 BEAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C ZINC000122426348 385917724 /nfs/dbraw/zinc/91/77/24/385917724.db2.gz DMJUBSXQRVGJBN-QWRGUYRKSA-N 0 0 212.337 2.472 10 0 BEAERN Clc1nccn2c(CC3CCC3)nnc12 ZINC000232162669 385873088 /nfs/dbraw/zinc/87/30/88/385873088.db2.gz MWRIKOPMVAVBMD-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cn1cccc1-c1cc(C(F)(F)F)nc(N)n1 ZINC000217035289 385876469 /nfs/dbraw/zinc/87/64/69/385876469.db2.gz YTRLSJLLVGTWNE-UHFFFAOYSA-N 0 0 242.204 2.083 10 0 BEAERN CCOC(=O)[C@@]1(O)CCCC12CCCC2 ZINC000260730377 385944473 /nfs/dbraw/zinc/94/44/73/385944473.db2.gz DUSBJLALVPCJAT-LBPRGKRZSA-N 0 0 212.289 2.025 10 0 BEAERN CCc1cc(C)c(C(=O)NC[C@@](C)(O)CC)o1 ZINC000127921467 385945047 /nfs/dbraw/zinc/94/50/47/385945047.db2.gz HXSWXWZSBWHTBQ-ZDUSSCGKSA-N 0 0 239.315 2.041 10 0 BEAERN CC1(C)CSC[C@@](O)(c2ccsn2)C1 ZINC000307658312 385965549 /nfs/dbraw/zinc/96/55/49/385965549.db2.gz BCDNOPPMFJWIBK-SNVBAGLBSA-N 0 0 229.370 2.494 10 0 BEAERN COC(=O)Cc1cc(OC)c(C)cc1Cl ZINC000261083022 386004575 /nfs/dbraw/zinc/00/45/75/386004575.db2.gz SIWDRHRROQWGIE-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN CCOC(=O)c1cc(C)c(OC)c(F)c1 ZINC000261139816 386008110 /nfs/dbraw/zinc/00/81/10/386008110.db2.gz NTBKDMKCIWUKTJ-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN CCCc1nsc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000309454826 386012298 /nfs/dbraw/zinc/01/22/98/386012298.db2.gz MBIAZWYNRCCHSI-IUCAKERBSA-N 0 0 241.360 2.206 10 0 BEAERN Cc1ccc([C@@H](C)NCC(=O)NC(C)(C)C)o1 ZINC000037977808 386112634 /nfs/dbraw/zinc/11/26/34/386112634.db2.gz QILPVWKWNSXVRB-SNVBAGLBSA-N 0 0 238.331 2.153 10 0 BEAERN COC(=O)C[C@@H]1COc2cc3c(cc21)CCC3 ZINC000606304041 386072684 /nfs/dbraw/zinc/07/26/84/386072684.db2.gz MTIZVAGEDUORET-LLVKDONJSA-N 0 0 232.279 2.214 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1nccn2nc(C)cc12 ZINC000129362859 386074295 /nfs/dbraw/zinc/07/42/95/386074295.db2.gz VIGKMZSPJJZJEA-CMPLNLGQSA-N 0 0 246.314 2.017 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@@H]1C[C@@H]1C ZINC000189775744 386087643 /nfs/dbraw/zinc/08/76/43/386087643.db2.gz POUSPPORSKSCFY-VHSXEESVSA-N 0 0 212.337 2.376 10 0 BEAERN CCc1cc(C)c(C(=O)NC[C@H]2CCCO2)o1 ZINC000130330975 386151208 /nfs/dbraw/zinc/15/12/08/386151208.db2.gz GMSWKNZULGMUME-LLVKDONJSA-N 0 0 237.299 2.059 10 0 BEAERN Cc1csc(-c2nnc(C=O)s2)c1 ZINC000575576638 386190009 /nfs/dbraw/zinc/19/00/09/386190009.db2.gz NGSKCQQDNXNVBI-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Cc1csc([C@H](O)c2cc(C)ns2)n1 ZINC000307183815 386154413 /nfs/dbraw/zinc/15/44/13/386154413.db2.gz AAJAEPYMWRAVHL-MRVPVSSYSA-N 0 0 226.326 2.298 10 0 BEAERN CCCc1nnc(N[C@H]2CCSC2)s1 ZINC000307360893 386171489 /nfs/dbraw/zinc/17/14/89/386171489.db2.gz GRWQGPWVUHVWLY-ZETCQYMHSA-N 0 0 229.374 2.408 10 0 BEAERN CC1CCC(CN2CCCC(=O)C2)CC1 ZINC000307182364 386131697 /nfs/dbraw/zinc/13/16/97/386131697.db2.gz UQSHJGXTXCWGAP-UHFFFAOYSA-N 0 0 209.333 2.478 10 0 BEAERN Cc1cc(C(=O)NCCC2CCCC2)[nH]n1 ZINC000054709878 386138384 /nfs/dbraw/zinc/13/83/84/386138384.db2.gz MJZPMMUYJQREEF-UHFFFAOYSA-N 0 0 221.304 2.028 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(F)n1 ZINC000125310393 386243289 /nfs/dbraw/zinc/24/32/89/386243289.db2.gz JLJZRYVSBKWASL-WPRPVWTQSA-N 0 0 222.263 2.139 10 0 BEAERN CC(C)c1noc(NCC2(CCO)CCC2)n1 ZINC000132644904 386247288 /nfs/dbraw/zinc/24/72/88/386247288.db2.gz YCLCCQLTZASDGF-UHFFFAOYSA-N 0 0 239.319 2.158 10 0 BEAERN C[C@@H](CF)Nc1ncc(Cl)cc1N ZINC000575582522 386255316 /nfs/dbraw/zinc/25/53/16/386255316.db2.gz GDWNXETZNDEZRU-YFKPBYRVSA-N 0 0 203.648 2.087 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2C[C@H]2C)c(O)c1 ZINC000190998091 386194429 /nfs/dbraw/zinc/19/44/29/386194429.db2.gz FOBFQHCOEVGNSI-KCJUWKMLSA-N 0 0 219.284 2.093 10 0 BEAERN CC(C)(C)OC(=O)Nc1cccc2[nH]nc(N)c21 ZINC000307217872 386307353 /nfs/dbraw/zinc/30/73/53/386307353.db2.gz CRCVGSPAHIWYCH-UHFFFAOYSA-N 0 0 248.286 2.492 10 0 BEAERN CC(C)n1ccnc1CSCCCO ZINC000298210197 386308345 /nfs/dbraw/zinc/30/83/45/386308345.db2.gz IZUPZTUFLLRUOH-UHFFFAOYSA-N 0 0 214.334 2.080 10 0 BEAERN C[C@@H]1C[C@@]1(C)Nc1cc(Br)ncn1 ZINC000575587957 386309471 /nfs/dbraw/zinc/30/94/71/386309471.db2.gz ASBWNYLAJUVFGB-HZGVNTEJSA-N 0 0 242.120 2.450 10 0 BEAERN CCC[C@H](C)N(C)Cc1nnc(C)n1CC ZINC000336682329 386340278 /nfs/dbraw/zinc/34/02/78/386340278.db2.gz RLGKCPSGTVVXPV-JTQLQIEISA-N 0 0 224.352 2.227 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1cc(Br)ccn1 ZINC000307761168 386345633 /nfs/dbraw/zinc/34/56/33/386345633.db2.gz YHRAEWKBCXYYLS-RNFRBKRXSA-N 0 0 245.120 2.025 10 0 BEAERN Brc1noc([C@@]23C[C@@H]2CCC3)n1 ZINC000575596098 386378847 /nfs/dbraw/zinc/37/88/47/386378847.db2.gz SEIAUJCUPZMCME-XNCJUZBTSA-N 0 0 229.077 2.274 10 0 BEAERN C[C@H](O)c1ccnn1CCc1ccccc1 ZINC000521400115 386444312 /nfs/dbraw/zinc/44/43/12/386444312.db2.gz BHSAAHFBSMUAJN-NSHDSACASA-N 0 0 216.284 2.179 10 0 BEAERN CCCC(=O)N[C@H]1COc2ccccc21 ZINC000058725897 386466429 /nfs/dbraw/zinc/46/64/29/386466429.db2.gz XXGMSUGVSAVICW-JTQLQIEISA-N 0 0 205.257 2.036 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)o1 ZINC000058962883 386468757 /nfs/dbraw/zinc/46/87/57/386468757.db2.gz JXOGMEGOPPQKIG-QMMMGPOBSA-N 0 0 243.690 2.184 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2cc(C)[nH]n2)o1 ZINC000135029628 386478279 /nfs/dbraw/zinc/47/82/79/386478279.db2.gz TZUJEBSXIJCJRK-UHFFFAOYSA-N 0 0 233.271 2.434 10 0 BEAERN CNc1cccc(C(=O)OC(C)(C)C)n1 ZINC000299889833 386498069 /nfs/dbraw/zinc/49/80/69/386498069.db2.gz PKBPEOPLIFIIJM-UHFFFAOYSA-N 0 0 208.261 2.079 10 0 BEAERN Nc1nc2ncc3ccccc3c2s1 ZINC000238596936 386508257 /nfs/dbraw/zinc/50/82/57/386508257.db2.gz ZMAZXIFJLFAFNM-UHFFFAOYSA-N 0 0 201.254 2.427 10 0 BEAERN Nc1noc2cccc(OC(F)(F)F)c12 ZINC000238708472 386527755 /nfs/dbraw/zinc/52/77/55/386527755.db2.gz JUHZHMSMONNNHO-UHFFFAOYSA-N 0 0 218.134 2.309 10 0 BEAERN CC1([C@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F)CC1 ZINC000521401161 386455386 /nfs/dbraw/zinc/45/53/86/386455386.db2.gz GEEMPKQPMBVBLZ-NKWVEPMBSA-N 0 0 239.237 2.157 10 0 BEAERN Cc1ccc(C)c(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399215373 386457143 /nfs/dbraw/zinc/45/71/43/386457143.db2.gz HOSTZRNYVPPLPR-STQMWFEESA-N 0 0 247.338 2.289 10 0 BEAERN C[C@@H]1CC[C@H](O)CN1C(=O)C(C)(C)C(C)(C)C ZINC000399214449 386457666 /nfs/dbraw/zinc/45/76/66/386457666.db2.gz SPDBELHMWIIBCI-MNOVXSKESA-N 0 0 241.375 2.431 10 0 BEAERN COCCn1cccc1-c1cccnc1 ZINC000521401322 386457705 /nfs/dbraw/zinc/45/77/05/386457705.db2.gz XCAAVVAIEWAPMA-UHFFFAOYSA-N 0 0 202.257 2.197 10 0 BEAERN COc1cc(OC(F)F)c(C#N)cc1C(C)=O ZINC000575641702 386575068 /nfs/dbraw/zinc/57/50/68/386575068.db2.gz XQUCDXBUVSMEIZ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000103387333 386576612 /nfs/dbraw/zinc/57/66/12/386576612.db2.gz QRFQEONTFSMRQO-WPRPVWTQSA-N 0 0 239.315 2.356 10 0 BEAERN CC(=O)c1cc(C(F)F)c(C#N)cc1O ZINC000575642470 386578689 /nfs/dbraw/zinc/57/86/89/386578689.db2.gz BXSRCLKVMBDWCO-UHFFFAOYSA-N 0 0 211.167 2.404 10 0 BEAERN CCOc1cc(C#N)c(C(C)=O)cc1F ZINC000575643098 386579929 /nfs/dbraw/zinc/57/99/29/386579929.db2.gz MMNGVAWICNYEJP-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCc1c(C#N)c(OC)ccc1C(C)=O ZINC000575643987 386583645 /nfs/dbraw/zinc/58/36/45/386583645.db2.gz DZBDJWXJWJLFEB-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1ccc(C#N)c(C=O)c1CC ZINC000575644534 386585705 /nfs/dbraw/zinc/58/57/05/386585705.db2.gz YMLGWFHEHFHPMW-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(CC)cc(CO)c1C#N ZINC000575644277 386586059 /nfs/dbraw/zinc/58/60/59/386586059.db2.gz WDRWYDYMUTWTDC-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CC(=O)OCc1cc(C)cc(COC(C)=O)c1 ZINC000238809135 386532206 /nfs/dbraw/zinc/53/22/06/386532206.db2.gz KHVUSTWSTJXESR-UHFFFAOYSA-N 0 0 236.267 2.121 10 0 BEAERN CC(C)n1ccnc1CSc1nccnc1N ZINC000278488333 386532518 /nfs/dbraw/zinc/53/25/18/386532518.db2.gz AWBVUYQZBCQKSK-UHFFFAOYSA-N 0 0 249.343 2.129 10 0 BEAERN CCOC(=O)c1cccc2nc(OC)ccc21 ZINC000575624167 386545105 /nfs/dbraw/zinc/54/51/05/386545105.db2.gz NEHZPRRPRIHSBT-UHFFFAOYSA-N 0 0 231.251 2.420 10 0 BEAERN COC(=O)c1cc(N)cc(OC(F)(F)F)c1C ZINC000575638787 386557243 /nfs/dbraw/zinc/55/72/43/386557243.db2.gz CROWVZGQAXGOMX-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOc1cc(C#N)c(C=O)c(OC(F)F)c1 ZINC000575638366 386557358 /nfs/dbraw/zinc/55/73/58/386557358.db2.gz HQGZAIQXBZBZGO-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)c1ccc(N)c(C(F)(F)F)c1C ZINC000575638802 386558915 /nfs/dbraw/zinc/55/89/15/386558915.db2.gz CYKIIWFUJZEOCU-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC(=O)c1ccc(C)c(OC(F)(F)F)c1N ZINC000575639668 386562539 /nfs/dbraw/zinc/56/25/39/386562539.db2.gz JEJBDDJYYFSWQF-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccccc1N ZINC000119748529 386639529 /nfs/dbraw/zinc/63/95/29/386639529.db2.gz LQMAZXCNLOFIJL-CABZTGNLSA-N 0 0 218.300 2.187 10 0 BEAERN Clc1ncnc2cc3c(cc12)OCC3 ZINC000307429842 386650357 /nfs/dbraw/zinc/65/03/57/386650357.db2.gz VSEKBMXRCVRTHM-UHFFFAOYSA-N 0 0 206.632 2.218 10 0 BEAERN Cc1cnc(N)c(C(=O)CC2CCC2)c1 ZINC000306923212 386710071 /nfs/dbraw/zinc/71/00/71/386710071.db2.gz YZJNPJFOSZXKPN-UHFFFAOYSA-N 0 0 204.273 2.345 10 0 BEAERN CCOC(=O)Cc1ccnc(OC(F)(F)F)c1 ZINC000575340458 386684750 /nfs/dbraw/zinc/68/47/50/386684750.db2.gz LVVVUEMKBJGLDK-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@H]2CCCn3ccnc32)[C@H]1C ZINC000246941748 386688306 /nfs/dbraw/zinc/68/83/06/386688306.db2.gz OVPULGGFTWQNDX-WOPDTQHZSA-N 0 0 247.342 2.017 10 0 BEAERN CCC[C@H](O)CNC(=O)c1oc(CC)cc1C ZINC000121056844 386693005 /nfs/dbraw/zinc/69/30/05/386693005.db2.gz ZDPGXYJOWFPLRT-JTQLQIEISA-N 0 0 239.315 2.041 10 0 BEAERN COC1=C(Br)C=C[C@](C)([N+](=O)[O-])C1 ZINC000575448780 386733373 /nfs/dbraw/zinc/73/33/73/386733373.db2.gz BAHULJUBOADPNX-QMMMGPOBSA-N 0 0 248.076 2.235 10 0 BEAERN CCc1nnsc1C(=O)c1csc(C)n1 ZINC000307595795 386748936 /nfs/dbraw/zinc/74/89/36/386748936.db2.gz LQRBOIPNJBFBPM-UHFFFAOYSA-N 0 0 239.325 2.096 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1c(F)cccc1F ZINC000575361948 386762832 /nfs/dbraw/zinc/76/28/32/386762832.db2.gz UJQUEIWBMLMOJS-UHFFFAOYSA-N 0 0 242.221 2.489 10 0 BEAERN Clc1nncn1CCOCc1ccccc1 ZINC000307587427 386743215 /nfs/dbraw/zinc/74/32/15/386743215.db2.gz TYBARNGURFSDJR-UHFFFAOYSA-N 0 0 237.690 2.148 10 0 BEAERN COC(=O)Cc1c(CO)ccc2ccccc21 ZINC000575373034 386787363 /nfs/dbraw/zinc/78/73/63/386787363.db2.gz OQSAINXVBARMEQ-UHFFFAOYSA-N 0 0 230.263 2.048 10 0 BEAERN COC(=O)Cc1ccnc(OC(F)(F)F)c1C ZINC000575375049 386799022 /nfs/dbraw/zinc/79/90/22/386799022.db2.gz JZXBEISOPJOQJV-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cc(OC(F)(F)F)ncc1C ZINC000575375014 386799846 /nfs/dbraw/zinc/79/98/46/386799846.db2.gz HADULHNMXOHWND-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1cnc(C)c(OC(F)(F)F)c1 ZINC000575374908 386800528 /nfs/dbraw/zinc/80/05/28/386800528.db2.gz AGZLWSMJHRMSLJ-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN Cn1ncnc1CNc1ccnc2ccsc21 ZINC000301440086 386844705 /nfs/dbraw/zinc/84/47/05/386844705.db2.gz LXXPYIBKXJNOQW-UHFFFAOYSA-N 0 0 245.311 2.037 10 0 BEAERN C[C@H]1CN(C(=O)C2CCSCC2)CCS1 ZINC000335741531 386859142 /nfs/dbraw/zinc/85/91/42/386859142.db2.gz UBRKXTMUVBRLJW-VIFPVBQESA-N 0 0 245.413 2.094 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2nc(C)cc(C)n2)C1 ZINC000301773599 386877931 /nfs/dbraw/zinc/87/79/31/386877931.db2.gz KIJLHBHYSNOXBW-VXGBXAGGSA-N 0 0 235.331 2.463 10 0 BEAERN CSc1ccc(N(C)CCC2CC2)nn1 ZINC000301797513 386879070 /nfs/dbraw/zinc/87/90/70/386879070.db2.gz UWRHZGITCFRKRO-UHFFFAOYSA-N 0 0 223.345 2.435 10 0 BEAERN Cc1cnc(N[C@H]2CCCCC[C@H]2CO)nc1 ZINC000301855662 386883505 /nfs/dbraw/zinc/88/35/05/386883505.db2.gz YTOHLBOJKWCLMC-RYUDHWBXSA-N 0 0 235.331 2.138 10 0 BEAERN O=C(c1csnn1)N1CCC[C@H]1c1ccco1 ZINC000116211506 386928286 /nfs/dbraw/zinc/92/82/86/386928286.db2.gz LVJNPFNXTPWHLM-VIFPVBQESA-N 0 0 249.295 2.108 10 0 BEAERN CCC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000334877187 386938503 /nfs/dbraw/zinc/93/85/03/386938503.db2.gz QOYSAAGJZPHOLT-VXGBXAGGSA-N 0 0 237.343 2.347 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C1=CCCCCC1 ZINC000334901172 386974383 /nfs/dbraw/zinc/97/43/83/386974383.db2.gz UVUSPBAVSATIKM-YPMHNXCESA-N 0 0 237.343 2.249 10 0 BEAERN C[C@@](N)(c1cscn1)c1cccs1 ZINC000575575151 386991566 /nfs/dbraw/zinc/99/15/66/386991566.db2.gz DFWXUTRDJOZVAL-SECBINFHSA-N 0 0 210.327 2.427 10 0 BEAERN CCOC(=O)c1cc(OC)c(C(F)(F)F)cn1 ZINC000575397420 386998497 /nfs/dbraw/zinc/99/84/97/386998497.db2.gz BWNLTULWNNRMIJ-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOC(=O)c1cnc(C(F)(F)F)c(OC)c1 ZINC000575397494 387000465 /nfs/dbraw/zinc/00/04/65/387000465.db2.gz XPRFZWJSDZSQCD-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN O=C(CN1CCC[C@@H]1c1ccco1)N1CCCC1 ZINC000116404736 386950522 /nfs/dbraw/zinc/95/05/22/386950522.db2.gz DYZDCNWBBGGLRU-GFCCVEGCSA-N 0 0 248.326 2.039 10 0 BEAERN COc1c(Cl)c(C)c(Cl)cc1C(N)=O ZINC000575421683 387030268 /nfs/dbraw/zinc/03/02/68/387030268.db2.gz BRJKJAPYIGYXIJ-UHFFFAOYSA-N 0 0 234.082 2.409 10 0 BEAERN OCc1c[nH]c(-c2cc(Cl)ccc2F)n1 ZINC000575419776 387031354 /nfs/dbraw/zinc/03/13/54/387031354.db2.gz PQJDEPCEPXVBQR-UHFFFAOYSA-N 0 0 226.638 2.362 10 0 BEAERN O=C1CO[C@H](c2cc(Cl)cs2)C1 ZINC000575458935 387033162 /nfs/dbraw/zinc/03/31/62/387033162.db2.gz JNNGYSMIJGCOFT-ZETCQYMHSA-N 0 0 202.662 2.432 10 0 BEAERN Cc1c[nH]c(=S)nc1-c1cncs1 ZINC000575459093 387033626 /nfs/dbraw/zinc/03/36/26/387033626.db2.gz FVYCJTZZMAEIRD-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CCc1c(CO)ccc(OC(F)F)c1OC ZINC000575656744 387042384 /nfs/dbraw/zinc/04/23/84/387042384.db2.gz JHLRRIZRYCLECQ-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1cc(OC(F)F)c(O)cc1C=O ZINC000575657740 387044685 /nfs/dbraw/zinc/04/46/85/387044685.db2.gz VPVWJCUXNVUIOK-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1ccc(CO)c(C)c1OC(F)F ZINC000575657618 387045616 /nfs/dbraw/zinc/04/56/16/387045616.db2.gz PCHQHFHNEYMOCS-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1c(CO)cc(OC(F)F)cc1OC ZINC000575658246 387046090 /nfs/dbraw/zinc/04/60/90/387046090.db2.gz RCHQIVDDINHFKM-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1c(CO)ccc(F)c1OC(F)F ZINC000575657484 387046203 /nfs/dbraw/zinc/04/62/03/387046203.db2.gz XFGAFBWSDUZJDI-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCc1c(CO)cc(OC(F)F)cc1OC ZINC000575658354 387047812 /nfs/dbraw/zinc/04/78/12/387047812.db2.gz RZFKDFLTGDIGEM-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1ccc(OC(F)F)c(OC)c1CO ZINC000575658677 387049635 /nfs/dbraw/zinc/04/96/35/387049635.db2.gz WCOZGUISIQWQGM-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN COc1ccc(C=O)c(OC(F)F)c1F ZINC000575659077 387049818 /nfs/dbraw/zinc/04/98/18/387049818.db2.gz ATJZGZLAXRNPEP-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN CCOc1c(CO)cc(OC)cc1OC(F)F ZINC000575658731 387049901 /nfs/dbraw/zinc/04/99/01/387049901.db2.gz WGSUMEIIMUONGZ-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN C[C@@H]1C[C@]1(C)Nc1ncc(Br)cn1 ZINC000575580825 387050116 /nfs/dbraw/zinc/05/01/16/387050116.db2.gz XOLSWNJFXXPGPL-MUWHJKNJSA-N 0 0 242.120 2.450 10 0 BEAERN CO[C@@H](c1noc([C@@H]2OCC[C@@H]2C)n1)C1CC1 ZINC000333869179 387065430 /nfs/dbraw/zinc/06/54/30/387065430.db2.gz UCKIZALJRQHABY-FXBDTBDDSA-N 0 0 238.287 2.265 10 0 BEAERN CC(=O)c1cc(OC(F)F)cc(C=O)c1O ZINC000575661226 387065763 /nfs/dbraw/zinc/06/57/63/387065763.db2.gz IIOPJUDAIMDBMU-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN C[C@@H](O)CCNC(=O)C[C@@H](C)C1CCCCC1 ZINC000118721602 387070263 /nfs/dbraw/zinc/07/02/63/387070263.db2.gz KSVMFRWNYPDRCO-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@@H]1C[C@]1(C)c1nc(Br)no1 ZINC000575467670 387076458 /nfs/dbraw/zinc/07/64/58/387076458.db2.gz ZIJGJENGGXACEC-FBCQKBJTSA-N 0 0 217.066 2.130 10 0 BEAERN Cc1ccc([C@H](C)N[C@@H](C)c2nnc(C)[nH]2)o1 ZINC000392423363 387079689 /nfs/dbraw/zinc/07/96/89/387079689.db2.gz SMTYFGXPQGALAR-IUCAKERBSA-N 0 0 234.303 2.426 10 0 BEAERN CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000068016119 387100354 /nfs/dbraw/zinc/10/03/54/387100354.db2.gz ROWBJXFFVVFNDB-NSHDSACASA-N 0 0 238.331 2.107 10 0 BEAERN CCCc1nsc(N[C@@](C)(CC)CCO)n1 ZINC000228617959 387111611 /nfs/dbraw/zinc/11/16/11/387111611.db2.gz MCADYUHXGXBGMJ-NSHDSACASA-N 0 0 243.376 2.454 10 0 BEAERN Cc1ccc(OC(F)F)c(F)c1CO ZINC000575661688 387112381 /nfs/dbraw/zinc/11/23/81/387112381.db2.gz UAIYQYDVBXYHAX-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COc1ccc([C@@]23CC[C@@H](C2=O)N(C)CC3)cc1 ZINC000584624876 387115472 /nfs/dbraw/zinc/11/54/72/387115472.db2.gz HXTWVFGWJFGIDM-ZFWWWQNUSA-N 0 0 245.322 2.000 10 0 BEAERN CCCNc1cnn(C)c1Br ZINC000575478439 387162885 /nfs/dbraw/zinc/16/28/85/387162885.db2.gz FWUUZIWQQNJVOT-UHFFFAOYSA-N 0 0 218.098 2.005 10 0 BEAERN CCS(=O)(CC)=Nc1ccnc(F)c1 ZINC000536951009 387163382 /nfs/dbraw/zinc/16/33/82/387163382.db2.gz NOARFSFSFGNAPI-UHFFFAOYSA-N 0 0 216.281 2.360 10 0 BEAERN O=C1CCCCN1c1c(F)cccc1F ZINC000536951096 387163398 /nfs/dbraw/zinc/16/33/98/387163398.db2.gz OORSODIOXQKSOU-UHFFFAOYSA-N 0 0 211.211 2.482 10 0 BEAERN CCCc1cc(=O)n2c(n1)CCC[C@@H]2C ZINC000536951588 387163459 /nfs/dbraw/zinc/16/34/59/387163459.db2.gz STFYUEWZGTWQHY-VIFPVBQESA-N 0 0 206.289 2.093 10 0 BEAERN COc1ccc([C@H]2CNC(=O)C23CCC3)cc1 ZINC000536951823 387163540 /nfs/dbraw/zinc/16/35/40/387163540.db2.gz XLPBFYTZCNUMRR-GFCCVEGCSA-N 0 0 231.295 2.079 10 0 BEAERN CCS(=O)(CC)=Nc1ccc(F)nc1 ZINC000536951302 387163810 /nfs/dbraw/zinc/16/38/10/387163810.db2.gz PUJFJIMCVVRUHV-UHFFFAOYSA-N 0 0 216.281 2.360 10 0 BEAERN CCS(=O)(CC)=Nc1cc(OC)ccn1 ZINC000536951777 387164053 /nfs/dbraw/zinc/16/40/53/387164053.db2.gz WNKMRPFFUZNRAV-UHFFFAOYSA-N 0 0 228.317 2.230 10 0 BEAERN O=C(c1ncsc1Br)C1CC1 ZINC000575478916 387164083 /nfs/dbraw/zinc/16/40/83/387164083.db2.gz MDEXHYLXXJKNLC-UHFFFAOYSA-N 0 0 232.102 2.498 10 0 BEAERN CC(=O)c1cc(C=O)c([O-])cc1OC(F)F ZINC000575662086 387164315 /nfs/dbraw/zinc/16/43/15/387164315.db2.gz WTBWENQTSBFZOD-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN C[C@@H]1CC[C@](O)(Cc2nc(C(C)(C)C)no2)C1 ZINC000536952160 387164719 /nfs/dbraw/zinc/16/47/19/387164719.db2.gz AWEYIXHFHACVJY-NOZJJQNGSA-N 0 0 238.331 2.461 10 0 BEAERN CCc1nc2snc(CO)c2c(C)c1C ZINC000536956139 387169474 /nfs/dbraw/zinc/16/94/74/387169474.db2.gz YILMKNNAOYLIOR-UHFFFAOYSA-N 0 0 222.313 2.363 10 0 BEAERN COc1cccc(N)c1COC1CCC1 ZINC000536958259 387171329 /nfs/dbraw/zinc/17/13/29/387171329.db2.gz IDGHZPMENLDQEA-UHFFFAOYSA-N 0 0 207.273 2.347 10 0 BEAERN Cc1cccnc1N=S1(=O)CCCC1 ZINC000536958318 387171845 /nfs/dbraw/zinc/17/18/45/387171845.db2.gz YFJWRBZOCDOLDW-UHFFFAOYSA-N 0 0 210.302 2.283 10 0 BEAERN Cc1cc(CC(=O)N[C@@H](C)c2ccc(C)o2)n[nH]1 ZINC000120040999 387176373 /nfs/dbraw/zinc/17/63/73/387176373.db2.gz PBTXVKWZULQAJS-JTQLQIEISA-N 0 0 247.298 2.039 10 0 BEAERN CCC1(NC(=O)N[C@@H]2CCO[C@@H]2C)CCCC1 ZINC000334071509 387181596 /nfs/dbraw/zinc/18/15/96/387181596.db2.gz HEQZEWLIUKILGG-GHMZBOCLSA-N 0 0 240.347 2.186 10 0 BEAERN Clc1nsnc1NC[C@@H]1CC12CC2 ZINC000575481565 387188308 /nfs/dbraw/zinc/18/83/08/387188308.db2.gz HHPMRDBBNCWYMR-YFKPBYRVSA-N 0 0 215.709 2.404 10 0 BEAERN O=C(C=C1CCC1)N1CCC12CCC(CO)CC2 ZINC000370658652 387132676 /nfs/dbraw/zinc/13/26/76/387132676.db2.gz PHBZHWUNKZLWFR-UHFFFAOYSA-N 0 0 249.354 2.250 10 0 BEAERN CCOc1cc(C(F)(F)F)cnc1C(=O)OC ZINC000575441925 387138803 /nfs/dbraw/zinc/13/88/03/387138803.db2.gz IAKBVEBLKACLTO-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCC(CC)(CNC(=O)OC(C)C)OC ZINC000393761928 387202614 /nfs/dbraw/zinc/20/26/14/387202614.db2.gz NYRNLUDYLHVNID-UHFFFAOYSA-N 0 0 217.309 2.326 10 0 BEAERN C[C@H]1CCN1c1nc(Cl)c(C=O)s1 ZINC000575590898 387209718 /nfs/dbraw/zinc/20/97/18/387209718.db2.gz TXLDLVTUUYMONY-YFKPBYRVSA-N 0 0 216.693 2.208 10 0 BEAERN CNc1cc(C(N)=O)c2cccc(Cl)c2n1 ZINC000064554509 387219434 /nfs/dbraw/zinc/21/94/34/387219434.db2.gz YLRRZLHIFAGZQP-UHFFFAOYSA-N 0 0 235.674 2.029 10 0 BEAERN CS[C@@H]1CC[C@H]1n1cc[nH]c1=S ZINC000575592777 387219619 /nfs/dbraw/zinc/21/96/19/387219619.db2.gz KONHIGHSTDRBMP-RNFRBKRXSA-N 0 0 200.332 2.238 10 0 BEAERN CS[C@H]1CC[C@H]1n1cc[nH]c1=S ZINC000575592786 387220068 /nfs/dbraw/zinc/22/00/68/387220068.db2.gz KONHIGHSTDRBMP-RQJHMYQMSA-N 0 0 200.332 2.238 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000230174167 387239564 /nfs/dbraw/zinc/23/95/64/387239564.db2.gz VLSUCCPBWCLRND-SMDDNHRTSA-N 0 0 247.338 2.231 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCC(C)(C)CCCO ZINC000230176400 387239573 /nfs/dbraw/zinc/23/95/73/387239573.db2.gz RPTSJYNHCZRZBC-RYUDHWBXSA-N 0 0 241.375 2.338 10 0 BEAERN CCC(O)(CC)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000230173618 387239772 /nfs/dbraw/zinc/23/97/72/387239772.db2.gz QYIORGNWDMNWJK-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000230174824 387239835 /nfs/dbraw/zinc/23/98/35/387239835.db2.gz CSMXJLXEOHHACZ-FVCCEPFGSA-N 0 0 239.359 2.090 10 0 BEAERN CCC[C@H](CCO)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000230174739 387240667 /nfs/dbraw/zinc/24/06/67/387240667.db2.gz WJHRUYOTRZUJND-XQQFMLRXSA-N 0 0 241.375 2.338 10 0 BEAERN CC[C@@H](C)CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000188003775 387243739 /nfs/dbraw/zinc/24/37/39/387243739.db2.gz GAORYKQZVFYNGF-MXWKQRLJSA-N 0 0 213.321 2.058 10 0 BEAERN CCNCc1ncsc1Br ZINC000575484344 387198969 /nfs/dbraw/zinc/19/89/69/387198969.db2.gz XZOWAYILPMKIGU-UHFFFAOYSA-N 0 0 221.123 2.015 10 0 BEAERN Cc1cc(C=O)c(OC(F)F)cc1O ZINC000575662657 387200488 /nfs/dbraw/zinc/20/04/88/387200488.db2.gz FRXZNGCGFJEAJW-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(OC(F)F)cc(C)c1C=O ZINC000575665107 387313808 /nfs/dbraw/zinc/31/38/08/387313808.db2.gz OEEZCFKXMCHJEF-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COc1ccc(C)c(O)c1OC(F)F ZINC000575665700 387315233 /nfs/dbraw/zinc/31/52/33/387315233.db2.gz SJLXBENXBNPXIN-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN COc1c(C)ccc(O)c1OC(F)F ZINC000575665566 387316062 /nfs/dbraw/zinc/31/60/62/387316062.db2.gz PVBCUAUAMHPAAW-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)C(C)C ZINC000188165824 387256648 /nfs/dbraw/zinc/25/66/48/387256648.db2.gz VJCSJRUHJRHXSV-RYUDHWBXSA-N 0 0 244.379 2.079 10 0 BEAERN COCCc1ccnc(N[C@H](C)C2CC2)c1 ZINC000285457629 387267474 /nfs/dbraw/zinc/26/74/74/387267474.db2.gz JMZQHANFRJVZHA-SNVBAGLBSA-N 0 0 220.316 2.481 10 0 BEAERN COc1cc(O)c(C(C)=O)c(OC(F)F)c1 ZINC000575663354 387287786 /nfs/dbraw/zinc/28/77/86/387287786.db2.gz XBYHBXPMYZICOF-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1cc(C)c(CO)c(OC(F)F)c1 ZINC000575663979 387291569 /nfs/dbraw/zinc/29/15/69/387291569.db2.gz ACDBMZVSVABDPG-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN O=C1CO[C@H](c2ccc(Br)cc2)C1 ZINC000575502693 387355419 /nfs/dbraw/zinc/35/54/19/387355419.db2.gz VGUQNEGRWSEQGP-JTQLQIEISA-N 0 0 241.084 2.480 10 0 BEAERN Fc1ncnc(OC2CCC2)c1Br ZINC000575600063 387356248 /nfs/dbraw/zinc/35/62/48/387356248.db2.gz FSBBMEAHOOYSRT-UHFFFAOYSA-N 0 0 247.067 2.310 10 0 BEAERN COC(=O)Cc1cc(OC)cc(C)c1C ZINC000575679508 387360280 /nfs/dbraw/zinc/36/02/80/387360280.db2.gz UZDHMTSCYKCBJI-UHFFFAOYSA-N 0 0 208.257 2.028 10 0 BEAERN CCOc1cc(OC)c(OC)c(C(C)=O)c1 ZINC000575693866 387384152 /nfs/dbraw/zinc/38/41/52/387384152.db2.gz AAJLSWOXJSQCEY-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCOC(=O)c1nnc2c(CC)cccc2c1O ZINC000575601141 387362404 /nfs/dbraw/zinc/36/24/04/387362404.db2.gz KCZXGQQOTXDOOP-UHFFFAOYSA-N 0 0 246.266 2.075 10 0 BEAERN O=C1CC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000575601668 387362703 /nfs/dbraw/zinc/36/27/03/387362703.db2.gz BATNFXTWASJRHM-MRVPVSSYSA-N 0 0 200.241 2.400 10 0 BEAERN Cc1cc(N)nn1C[C@H]1C[C@@H]1c1ccccc1 ZINC000575601987 387368768 /nfs/dbraw/zinc/36/87/68/387368768.db2.gz JPOPFOVLQMHFBU-CHWSQXEVSA-N 0 0 227.311 2.408 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000575601992 387369174 /nfs/dbraw/zinc/36/91/74/387369174.db2.gz JPOPFOVLQMHFBU-STQMWFEESA-N 0 0 227.311 2.408 10 0 BEAERN Cc1ccc([C@H](O)C(F)F)c(Cl)n1 ZINC000575602243 387369343 /nfs/dbraw/zinc/36/93/43/387369343.db2.gz VVSOUVJKEIMITA-LURJTMIESA-N 0 0 207.607 2.342 10 0 BEAERN Cn1nc(-c2ccco2)c2c1ncnc2Cl ZINC000575602283 387370999 /nfs/dbraw/zinc/37/09/99/387370999.db2.gz WURQPPUFHMSDGV-UHFFFAOYSA-N 0 0 234.646 2.277 10 0 BEAERN CCCC(=O)N(C(C)C)C1CCOCC1 ZINC000121500345 387373756 /nfs/dbraw/zinc/37/37/56/387373756.db2.gz SNMMEBMXLPCHFJ-UHFFFAOYSA-N 0 0 213.321 2.203 10 0 BEAERN O=Cc1ccc(Br)c(F)c1C=O ZINC000575689501 387377193 /nfs/dbraw/zinc/37/71/93/387377193.db2.gz OSQQNWPAWNKGST-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN COc1c(C)c(O)ccc1Br ZINC000575692761 387379514 /nfs/dbraw/zinc/37/95/14/387379514.db2.gz LTMYEDCOBLQWKI-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COc1c(C=O)cc(C)cc1OC(F)F ZINC000575666695 387319940 /nfs/dbraw/zinc/31/99/40/387319940.db2.gz YWWGKMZIUZXTTB-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN CCc1cc(C=O)c(CO)cc1C(F)F ZINC000575667751 387323974 /nfs/dbraw/zinc/32/39/74/387323974.db2.gz MZGLJUHNSLEXKP-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN O[C@@H]1CC[C@@H]1Nc1ccc(Br)cc1 ZINC000575594650 387325456 /nfs/dbraw/zinc/32/54/56/387325456.db2.gz LBCYZADYZHBGBU-VHSXEESVSA-N 0 0 242.116 2.384 10 0 BEAERN CCc1c(C=O)cc(CO)cc1C(F)F ZINC000575668630 387326179 /nfs/dbraw/zinc/32/61/79/387326179.db2.gz RYPQZQZJLGHSTE-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCc1c(C(F)F)ccc(C=O)c1CO ZINC000575668648 387326915 /nfs/dbraw/zinc/32/69/15/387326915.db2.gz SGIYRAQOPRPPPV-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCc1cc(C(F)F)cc(C=O)c1CO ZINC000575669376 387328719 /nfs/dbraw/zinc/32/87/19/387328719.db2.gz YSQNAKSUICBODG-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN NC(=S)Nc1cc(Cl)cc(F)c1F ZINC000575496343 387332258 /nfs/dbraw/zinc/33/22/58/387332258.db2.gz MBRTZYCEXSTMAY-UHFFFAOYSA-N 0 0 222.647 2.274 10 0 BEAERN COc1cc(O)cc(OC)c1OC(F)(F)F ZINC000575670922 387335622 /nfs/dbraw/zinc/33/56/22/387335622.db2.gz DMSWASXYRZGJIP-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN CCOC(=O)Cc1cc(OC)cc(C)c1C ZINC000575672791 387340031 /nfs/dbraw/zinc/34/00/31/387340031.db2.gz NTHBJQZUVAODSO-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN Brc1noc([C@H]2C[C@H]2C2CC2)n1 ZINC000575596297 387340848 /nfs/dbraw/zinc/34/08/48/387340848.db2.gz LUIDLAHLQUDPBU-WDSKDSINSA-N 0 0 229.077 2.346 10 0 BEAERN O=C1CSC(Cc2cc(F)cc(F)c2)=N1 ZINC000306557167 387343781 /nfs/dbraw/zinc/34/37/81/387343781.db2.gz NJONNVBJMWRHMY-UHFFFAOYSA-N 0 0 227.235 2.179 10 0 BEAERN Cc1cocc1-c1nnc(Br)o1 ZINC000575597249 387344328 /nfs/dbraw/zinc/34/43/28/387344328.db2.gz WHPTZJWTQXYCOE-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCF ZINC000303392611 387349485 /nfs/dbraw/zinc/34/94/85/387349485.db2.gz DBHKGKZOQHKXMZ-QWHCGFSZSA-N 0 0 228.355 2.295 10 0 BEAERN CC[C@@H](O)c1cc(N)ccc1Br ZINC000575501007 387350127 /nfs/dbraw/zinc/35/01/27/387350127.db2.gz IWYILABZTBVBPD-SECBINFHSA-N 0 0 230.105 2.475 10 0 BEAERN O=C1CO[C@@H](c2cccc(Br)c2)C1 ZINC000575501955 387353699 /nfs/dbraw/zinc/35/36/99/387353699.db2.gz KKSGZTQXIBHCAF-SNVBAGLBSA-N 0 0 241.084 2.480 10 0 BEAERN CC(=O)c1c(C)ccc(N)c1OC(F)F ZINC000575717991 387423480 /nfs/dbraw/zinc/42/34/80/387423480.db2.gz WYMDTYDUAJXBRW-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1c(C)cc(OC(F)F)cc1N ZINC000575717934 387423531 /nfs/dbraw/zinc/42/35/31/387423531.db2.gz WDHGSKXMBCNLDN-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1cc(N)cc(O)c1C(F)(F)F ZINC000575719147 387425058 /nfs/dbraw/zinc/42/50/58/387425058.db2.gz PANLKIZWHYQVHO-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CC(=O)c1cc(N)cc(C(F)(F)F)c1O ZINC000575718253 387425191 /nfs/dbraw/zinc/42/51/91/387425191.db2.gz BUPVBHWNAPUUFJ-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Nc1cc(O)cc(Cl)c1Br ZINC000575719438 387429434 /nfs/dbraw/zinc/42/94/34/387429434.db2.gz CNXBZGVPUGHQBD-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CC(=O)c1c(F)c(N)ccc1OC(F)F ZINC000575715939 387430683 /nfs/dbraw/zinc/43/06/83/387430683.db2.gz ACVWIHMQWTZJOZ-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN O=S(=O)(c1ccccc1Cl)C(F)F ZINC000575444414 387432732 /nfs/dbraw/zinc/43/27/32/387432732.db2.gz LEVSXKIUQSLSPD-UHFFFAOYSA-N 0 0 226.631 2.336 10 0 BEAERN CCOc1cc(N)c(C(C)=O)cc1CC ZINC000575716850 387433144 /nfs/dbraw/zinc/43/31/44/387433144.db2.gz GRXGROBPQZVPQU-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1cc(OC(F)F)c(N)c(C(C)=O)c1 ZINC000575717909 387436068 /nfs/dbraw/zinc/43/60/68/387436068.db2.gz VSVRYTMVWUBPPQ-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOc1cc(N)cc(N)c1Br ZINC000575719795 387439227 /nfs/dbraw/zinc/43/92/27/387439227.db2.gz KWRHFVTZTAFVFE-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN Nc1cc(N)c(Br)c(Cl)c1 ZINC000575720391 387441373 /nfs/dbraw/zinc/44/13/73/387441373.db2.gz VGZOJEMHSBEUGN-UHFFFAOYSA-N 0 0 221.485 2.267 10 0 BEAERN CCc1cc(N)c(Br)c(N)c1 ZINC000575722395 387444088 /nfs/dbraw/zinc/44/40/88/387444088.db2.gz JUFLWLKCVZRTBJ-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CC(=O)CCC(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000374358114 387445807 /nfs/dbraw/zinc/44/58/07/387445807.db2.gz ATGRNNMKSYYOAI-VXGBXAGGSA-N 0 0 223.316 2.147 10 0 BEAERN CCOc1ccc(OC)c(N)c1Br ZINC000575723244 387446266 /nfs/dbraw/zinc/44/62/66/387446266.db2.gz RMHURKGAWUIFOC-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COc1cc(C)c(OC(F)F)cc1N ZINC000575722737 387446509 /nfs/dbraw/zinc/44/65/09/387446509.db2.gz FQYFBKZMSLFCLB-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1cc(N)cc(Br)c1F ZINC000575722936 387446759 /nfs/dbraw/zinc/44/67/59/387446759.db2.gz PHHRPHYRIIQAMN-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CCOC(=O)c1cc(F)cc(N)c1CC ZINC000575723991 387447545 /nfs/dbraw/zinc/44/75/45/387447545.db2.gz NMAXOMGMUBOXKJ-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1cc(OCC)cc(N)c1CC ZINC000575724212 387447589 /nfs/dbraw/zinc/44/75/89/387447589.db2.gz ZZSKPARWOOEJRN-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1c(C)cc(OCC)cc1N ZINC000575723894 387447803 /nfs/dbraw/zinc/44/78/03/387447803.db2.gz HUAWFEAEBOVBRA-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)Cc1cc(CC)c(N)cc1F ZINC000575723998 387447809 /nfs/dbraw/zinc/44/78/09/387447809.db2.gz NWPSHAPQUSPBOX-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN OCc1cc(F)cc(C(F)(F)F)c1F ZINC000575694406 387385367 /nfs/dbraw/zinc/38/53/67/387385367.db2.gz HNCZBDWFFKHTLX-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN CSCCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121679506 387391872 /nfs/dbraw/zinc/39/18/72/387391872.db2.gz NVAWYXSFYVVNTB-SNVBAGLBSA-N 0 0 240.376 2.085 10 0 BEAERN CCOc1ccc(OC)c(OC)c1C(C)=O ZINC000575695695 387395501 /nfs/dbraw/zinc/39/55/01/387395501.db2.gz PVPYWSCOOLZYKV-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCc1cc(OC)cc(C(N)=O)c1C(F)(F)F ZINC000575703663 387400077 /nfs/dbraw/zinc/40/00/77/387400077.db2.gz OCKQCOQAOWBYRZ-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1cc(SC)cc(C(N)=O)c1C ZINC000575703418 387400143 /nfs/dbraw/zinc/40/01/43/387400143.db2.gz LYLBIWMVLCTKKK-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCc1c(SC)ccc(C)c1C(N)=O ZINC000575704031 387400649 /nfs/dbraw/zinc/40/06/49/387400649.db2.gz QBSAMQHGCMXBTO-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCc1c(C(N)=O)ccc(C(F)(F)F)c1OC ZINC000575703426 387400682 /nfs/dbraw/zinc/40/06/82/387400682.db2.gz MDXPOOHYNYUMCP-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1c(OC)cc(CO)cc1SC ZINC000575704372 387402195 /nfs/dbraw/zinc/40/21/95/387402195.db2.gz VBQBTBVIPGFPOP-UHFFFAOYSA-N 0 0 212.314 2.472 10 0 BEAERN CCc1c(C=O)ccc(C(N)=O)c1C(F)(F)F ZINC000575702543 387406974 /nfs/dbraw/zinc/40/69/74/387406974.db2.gz LQFIAVPEFYGGGF-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN O=Cc1c(F)ccc(CO)c1OC(F)(F)F ZINC000575705226 387409662 /nfs/dbraw/zinc/40/96/62/387409662.db2.gz GRSLOOFXFRZBQN-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN O=Cc1c(F)c(OC(F)(F)F)ccc1CO ZINC000575706495 387410583 /nfs/dbraw/zinc/41/05/83/387410583.db2.gz XNKVBUPIRXXNCY-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1cc(F)c(SC)c(CO)c1 ZINC000575708338 387411543 /nfs/dbraw/zinc/41/15/43/387411543.db2.gz NIPRUJPTSNWKJH-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1cc(C=O)c(SC)cc1F ZINC000575707718 387412783 /nfs/dbraw/zinc/41/27/83/387412783.db2.gz GZUBIIMWMVKXCG-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN CO[C@@H](C)C1CCN(c2ncc(N)cc2C)CC1 ZINC000584645437 387507746 /nfs/dbraw/zinc/50/77/46/387507746.db2.gz LKULNCVUDOOYFF-NSHDSACASA-N 0 0 249.358 2.224 10 0 BEAERN C/C=C\c1ccc(OCC(=O)NCC)c(OC)c1 ZINC000208479519 387519097 /nfs/dbraw/zinc/51/90/97/387519097.db2.gz HQXLKCMXCLDJNB-XQRVVYSFSA-N 0 0 249.310 2.243 10 0 BEAERN CSCCCCNC(=O)C[C@H](C)SC ZINC000122505909 387543913 /nfs/dbraw/zinc/54/39/13/387543913.db2.gz DFBCAGUTRQBWBO-VIFPVBQESA-N 0 0 235.418 2.387 10 0 BEAERN CSCCCCNC(=O)C[C@@H](C)SC ZINC000122506129 387544085 /nfs/dbraw/zinc/54/40/85/387544085.db2.gz DFBCAGUTRQBWBO-SECBINFHSA-N 0 0 235.418 2.387 10 0 BEAERN Cc1cc(N)cc(OC(F)(F)F)c1O ZINC000575728317 387465878 /nfs/dbraw/zinc/46/58/78/387465878.db2.gz MVDVHFWWVIOIRQ-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1ccc(CO)c(C)c1OC(F)(F)F ZINC000575728866 387467139 /nfs/dbraw/zinc/46/71/39/387467139.db2.gz GPCPELRYKMHXMQ-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN O=C(c1cccc(=O)[nH]1)N1C[C@@H]2CCCCC[C@H]21 ZINC000374555610 387467460 /nfs/dbraw/zinc/46/74/60/387467460.db2.gz FMEGBFLNJUXHBF-CMPLNLGQSA-N 0 0 246.310 2.192 10 0 BEAERN COc1ccc(C)c(OC(F)(F)F)c1CO ZINC000575730083 387469236 /nfs/dbraw/zinc/46/92/36/387469236.db2.gz RZIBJLXJQNPREQ-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(Cl)c1N ZINC000575729614 387469670 /nfs/dbraw/zinc/46/96/70/387469670.db2.gz KYPDUCHNFAEPOJ-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN COc1ccc(OC(F)(F)F)c(C)c1N ZINC000575729236 387469804 /nfs/dbraw/zinc/46/98/04/387469804.db2.gz KEOMZLGGWSYHQL-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN CO[C@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000054920540 387585482 /nfs/dbraw/zinc/58/54/82/387585482.db2.gz TYPBZZCVFAAZOT-SECBINFHSA-N 0 0 241.718 2.333 10 0 BEAERN C[C@@H](C(=O)Nc1ccncc1F)c1cccnc1 ZINC000122759220 387594281 /nfs/dbraw/zinc/59/42/81/387594281.db2.gz YBCVWUMAPRLRJR-SECBINFHSA-N 0 0 245.257 2.358 10 0 BEAERN CC(=O)c1cc(F)ccc1OCc1ccn(C)n1 ZINC000211676000 387594940 /nfs/dbraw/zinc/59/49/40/387594940.db2.gz LIUNGEGPQCISPA-UHFFFAOYSA-N 0 0 248.257 2.341 10 0 BEAERN C[C@H](C(=O)Nc1ccncc1F)c1cccnc1 ZINC000122759015 387595498 /nfs/dbraw/zinc/59/54/98/387595498.db2.gz YBCVWUMAPRLRJR-VIFPVBQESA-N 0 0 245.257 2.358 10 0 BEAERN Nc1cncc(-c2cnc(C3CC3)o2)c1 ZINC000527532606 387600281 /nfs/dbraw/zinc/60/02/81/387600281.db2.gz NEDWRRKHONYOAA-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN O=C(NCC[C@H]1CC=CCC1)n1ccnc1 ZINC000527531295 387601549 /nfs/dbraw/zinc/60/15/49/387601549.db2.gz CUOUOIVBHRNROX-NSHDSACASA-N 0 0 219.288 2.187 10 0 BEAERN CCCCCC(=O)N(C)C[C@H]1CCCO1 ZINC000122832011 387607826 /nfs/dbraw/zinc/60/78/26/387607826.db2.gz ZTEFNPSVYHUMAI-LLVKDONJSA-N 0 0 213.321 2.204 10 0 BEAERN CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000124207740 387608490 /nfs/dbraw/zinc/60/84/90/387608490.db2.gz FPTAXXZIEIPDOO-JHJVBQTASA-N 0 0 239.359 2.090 10 0 BEAERN CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000124207954 387608529 /nfs/dbraw/zinc/60/85/29/387608529.db2.gz FPTAXXZIEIPDOO-UPJWGTAASA-N 0 0 239.359 2.090 10 0 BEAERN CCN(C)C(=O)CCc1ccc(C)cc1 ZINC000124284013 387609815 /nfs/dbraw/zinc/60/98/15/387609815.db2.gz DXOMITULJAIHAY-UHFFFAOYSA-N 0 0 205.301 2.406 10 0 BEAERN Nc1ccc(-c2cnc(C3CC3)o2)nc1 ZINC000527532852 387622778 /nfs/dbraw/zinc/62/27/78/387622778.db2.gz PCUMBJGUGQJYJY-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)CC[C@H]1C ZINC000422039601 387545749 /nfs/dbraw/zinc/54/57/49/387545749.db2.gz RTTZNNBXKRZXFO-UTUOFQBUSA-N 0 0 241.375 2.431 10 0 BEAERN Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000120685288 387572015 /nfs/dbraw/zinc/57/20/15/387572015.db2.gz JYFPNDYUGPUDDV-DGCLKSJQSA-N 0 0 231.343 2.427 10 0 BEAERN C[C@@H]1CC[C@@H](Nc2cnns2)CS1 ZINC000575534996 387574409 /nfs/dbraw/zinc/57/44/09/387574409.db2.gz NTNVNYKBDXHJQD-RNFRBKRXSA-N 0 0 215.347 2.234 10 0 BEAERN Cc1ncsc1C1N=NC(=S)S1 ZINC000575551017 387654735 /nfs/dbraw/zinc/65/47/35/387654735.db2.gz ZYPUBMRYYNGISJ-UHFFFAOYSA-N 0 0 215.328 2.259 10 0 BEAERN COCc1ccc(C(=O)Nc2cc(C)ccn2)o1 ZINC000123265729 387672619 /nfs/dbraw/zinc/67/26/19/387672619.db2.gz IONWTQFBNUHUNB-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN CCc1cccc(CC(=O)N[C@@H]2C[C@H]2C)c1 ZINC000123375897 387687014 /nfs/dbraw/zinc/68/70/14/387687014.db2.gz DQMJMRUXMZOULI-ZWNOBZJWSA-N 0 0 217.312 2.316 10 0 BEAERN CONCc1cccc(Br)c1 ZINC000070267713 387692889 /nfs/dbraw/zinc/69/28/89/387692889.db2.gz VWNLGBRDNXXSDL-UHFFFAOYSA-N 0 0 216.078 2.100 10 0 BEAERN Nc1n[nH]c(-c2ccoc2Cl)c1F ZINC000575573879 387749401 /nfs/dbraw/zinc/74/94/01/387749401.db2.gz BYWWUTGSCWVMRY-UHFFFAOYSA-N 0 0 201.588 2.044 10 0 BEAERN C[C@H](NN)c1c(F)ccc(F)c1Cl ZINC000575569472 387731321 /nfs/dbraw/zinc/73/13/21/387731321.db2.gz FPTUHSLBEUPVLT-BYPYZUCNSA-N 0 0 206.623 2.143 10 0 BEAERN CCCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127992613 387732050 /nfs/dbraw/zinc/73/20/50/387732050.db2.gz OEOPFJMALHJZSW-GXTWGEPZSA-N 0 0 239.359 2.330 10 0 BEAERN Cc1cc(C)cc(N[C@@H]2CCCCNC2=O)c1 ZINC000020053428 177909040 /nfs/dbraw/zinc/90/90/40/177909040.db2.gz AHXDFODXDWGGPH-CYBMUJFWSA-N 0 0 232.327 2.384 10 0 BEAERN CC(C)(c1onc(N)c1Cl)C(F)F ZINC000575570567 387737952 /nfs/dbraw/zinc/73/79/52/387737952.db2.gz VFIMWGFIVYJWQO-UHFFFAOYSA-N 0 0 210.611 2.283 10 0 BEAERN C[C@@H](NC(=O)C1CC1)[C@@H]1COc2ccccc21 ZINC000129103678 387764252 /nfs/dbraw/zinc/76/42/52/387764252.db2.gz RGYBBGOKJJVQJX-SKDRFNHKSA-N 0 0 231.295 2.077 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000129511077 387773175 /nfs/dbraw/zinc/77/31/75/387773175.db2.gz YNZUVHKEJNMXDH-STQMWFEESA-N 0 0 249.354 2.497 10 0 BEAERN COCc1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000129587319 387774596 /nfs/dbraw/zinc/77/45/96/387774596.db2.gz NZNSWQMXBCXSTQ-GXFFZTMASA-N 0 0 249.310 2.339 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000133606492 177893373 /nfs/dbraw/zinc/89/33/73/177893373.db2.gz SCNRIRFJYPDGHY-NEPJUHHUSA-N 0 0 235.327 2.050 10 0 BEAERN [NH3+]Cc1cnc(-c2ccc(F)cc2)s1 ZINC000040996518 387760228 /nfs/dbraw/zinc/76/02/28/387760228.db2.gz SJQBRVJFIPYJHE-UHFFFAOYSA-N 0 0 208.261 2.408 10 0 BEAERN Cc1cc(OC(F)(F)F)c(N)cc1[N+](=O)[O-] ZINC000575637677 387832184 /nfs/dbraw/zinc/83/21/84/387832184.db2.gz HTRLPUKKQCWGFF-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1CO ZINC000575637830 387832872 /nfs/dbraw/zinc/83/28/72/387832872.db2.gz IHPTZSMXVLEBEK-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(C#N)c(OC(F)F)c(CO)c1 ZINC000575638199 387832936 /nfs/dbraw/zinc/83/29/36/387832936.db2.gz FNBBFEYYWFMSBC-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN Cc1c(OC(F)(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575638991 387833723 /nfs/dbraw/zinc/83/37/23/387833723.db2.gz YPRBFWWBSYKXAZ-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1cc(C#N)c(C=O)cc1OCC ZINC000575638475 387834192 /nfs/dbraw/zinc/83/41/92/387834192.db2.gz REXRDMBDFNCBRC-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(C=O)c(C#N)cc1OC(F)F ZINC000575638356 387834367 /nfs/dbraw/zinc/83/43/67/387834367.db2.gz HJRDQHDETUKWJV-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1c(F)cc(OC(F)F)cc1C#N ZINC000575639229 387836090 /nfs/dbraw/zinc/83/60/90/387836090.db2.gz FUVNOAIUDORZGR-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN N#CCc1cc(C#N)c(OC(F)F)c(C=O)c1 ZINC000575639413 387836283 /nfs/dbraw/zinc/83/62/83/387836283.db2.gz HOQPGRZFPLFULC-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN Cc1cc([N+](=O)[O-])cc(CO)c1C(F)(F)F ZINC000575639112 387836346 /nfs/dbraw/zinc/83/63/46/387836346.db2.gz WQHLDTLRYJSVEV-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCc1cc(CO)c(C#N)cc1OC(F)F ZINC000575638423 387836520 /nfs/dbraw/zinc/83/65/20/387836520.db2.gz IATGBLKBQTULRI-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN CCOc1cc(CO)cc(C#N)c1OC(F)F ZINC000575640232 387838222 /nfs/dbraw/zinc/83/82/22/387838222.db2.gz XBVJPCSUCBPAGT-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN Cc1cc(C=O)c(C#N)c(OC(F)F)c1 ZINC000575639994 387838379 /nfs/dbraw/zinc/83/83/79/387838379.db2.gz FGGYIFUNHHIBEP-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN COC(=O)c1cc(N)cc(C(F)(F)F)c1C ZINC000575640353 387838481 /nfs/dbraw/zinc/83/84/81/387838481.db2.gz MCCXEQAKGSANOL-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN Cc1cc(C#N)c(C=O)cc1OC(F)F ZINC000575640400 387840126 /nfs/dbraw/zinc/84/01/26/387840126.db2.gz HYAGOWYIFWSZNR-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CN(C)c1ccnc(C(=O)OC(C)(C)C)c1 ZINC000390822128 387840360 /nfs/dbraw/zinc/84/03/60/387840360.db2.gz HMZPQQZUNPZVQT-UHFFFAOYSA-N 0 0 222.288 2.103 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)c(N)cc1C ZINC000575641615 387842583 /nfs/dbraw/zinc/84/25/83/387842583.db2.gz XFIGMKJERPKKDA-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc(C)c1N ZINC000575641870 387843956 /nfs/dbraw/zinc/84/39/56/387843956.db2.gz YPCBQEXTYWHJKZ-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCc1c(C(N)=O)cc(C#N)cc1C(F)F ZINC000575641819 387844230 /nfs/dbraw/zinc/84/42/30/387844230.db2.gz PTHUAKWGNMHFRA-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COc1c(F)c(C#N)ccc1OC(F)F ZINC000575641990 387845921 /nfs/dbraw/zinc/84/59/21/387845921.db2.gz ZXESLRMMDJWGPA-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)c1c(N)c(OC)ccc1C(F)(F)F ZINC000575641362 387846790 /nfs/dbraw/zinc/84/67/90/387846790.db2.gz RTJKUHXDBCMZQF-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1ccc(C#N)c(CO)c1C(F)F ZINC000575641293 387846804 /nfs/dbraw/zinc/84/68/04/387846804.db2.gz NLPISKNGVXYOPA-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(C#N)c(CO)c(CC)c1 ZINC000575642809 387864656 /nfs/dbraw/zinc/86/46/56/387864656.db2.gz IYNAWWOVUJGOLP-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN Cc1ncccc1CNc1nccnc1C(C)C ZINC000528186908 387866737 /nfs/dbraw/zinc/86/67/37/387866737.db2.gz POJIUWKYNFHUSN-UHFFFAOYSA-N 0 0 242.326 2.337 10 0 BEAERN CCOc1c(C#N)cc(CC)cc1CO ZINC000575643705 387869414 /nfs/dbraw/zinc/86/94/14/387869414.db2.gz SYUPIKRZHHMSED-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1cc(CC)c(C#N)cc1C=O ZINC000575644144 387869592 /nfs/dbraw/zinc/86/95/92/387869592.db2.gz VGQCBMVFCUMSBX-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1c(CNc2ccccc2)c(C)nn1C ZINC000135156066 387814024 /nfs/dbraw/zinc/81/40/24/387814024.db2.gz YETAFWFOBFVUBO-UHFFFAOYSA-N 0 0 231.299 2.349 10 0 BEAERN Cc1cnc(N[C@@H]2CCCCC[C@H]2O)nc1C ZINC000288218373 387891639 /nfs/dbraw/zinc/89/16/39/387891639.db2.gz MJQATOOKAGLEAR-VXGBXAGGSA-N 0 0 235.331 2.199 10 0 BEAERN N#Cc1cc(C(F)(F)F)cc(F)c1CO ZINC000575648322 387892510 /nfs/dbraw/zinc/89/25/10/387892510.db2.gz PTEHZBXNWNBNOQ-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN Cc1cc(C(F)(F)F)cc(C#N)c1CO ZINC000575648385 387893423 /nfs/dbraw/zinc/89/34/23/387893423.db2.gz PYXZYVUQJBLNAE-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN CCc1cc(OC(F)F)cc(C=O)c1O ZINC000575653439 387895702 /nfs/dbraw/zinc/89/57/02/387895702.db2.gz HLDZUPSMWXULPE-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(O)cc(OC(F)F)c1CO ZINC000575653379 387895709 /nfs/dbraw/zinc/89/57/09/387895709.db2.gz GDJNNPRQSUTMDN-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(O)cc(C=O)c1OC(F)F ZINC000575653349 387895966 /nfs/dbraw/zinc/89/59/66/387895966.db2.gz FQAPSTJAYLCNBZ-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(F)cc(OC(F)F)c1CO ZINC000575653937 387897468 /nfs/dbraw/zinc/89/74/68/387897468.db2.gz RHNGYCZKGRBFIS-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN N#Cc1cc(CO)cc(C(F)(F)F)c1F ZINC000575644617 387876738 /nfs/dbraw/zinc/87/67/38/387876738.db2.gz BPYSPXNWRVVQEG-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1ccc([N+](=O)[O-])c(C(C)=O)c1C#N ZINC000575644917 387877771 /nfs/dbraw/zinc/87/77/71/387877771.db2.gz BXFCSYWMRIPKJG-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1cc([N+](=O)[O-])cc(C#N)c1OC ZINC000575645030 387879713 /nfs/dbraw/zinc/87/97/13/387879713.db2.gz CMZGEECZQXQYBX-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1cc(C(F)(F)F)c(C#N)cc1CO ZINC000575646856 387881653 /nfs/dbraw/zinc/88/16/53/387881653.db2.gz LASGFPMKWTWQDF-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN Cc1cc(C)c(Cn2nccc2N)c(C)c1 ZINC000019689458 177864400 /nfs/dbraw/zinc/86/44/00/177864400.db2.gz WDXRRXLGGKNOHJ-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN Cc1cc(CO)c(C#N)cc1C(F)(F)F ZINC000575649794 387887832 /nfs/dbraw/zinc/88/78/32/387887832.db2.gz ULURHYJNAREZRD-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN COCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195323623 387917962 /nfs/dbraw/zinc/91/79/62/387917962.db2.gz WEAVTMYIXQBCJA-LLVKDONJSA-N 0 0 240.372 2.277 10 0 BEAERN COCCCCC(=O)N[C@H]1COc2ccccc21 ZINC000194890255 387899416 /nfs/dbraw/zinc/89/94/16/387899416.db2.gz GVTNYFQPKVFTMS-LBPRGKRZSA-N 0 0 249.310 2.053 10 0 BEAERN O=C(NCCCCO)[C@H]1C[C@@H]1C1CCCCC1 ZINC000194989941 387901893 /nfs/dbraw/zinc/90/18/93/387901893.db2.gz DKALVCXYAFSUGV-OLZOCXBDSA-N 0 0 239.359 2.092 10 0 BEAERN OCc1c(O)cc(OC(F)F)cc1C(F)F ZINC000575652679 387901951 /nfs/dbraw/zinc/90/19/51/387901951.db2.gz UYQWVESBKRUSDO-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN CCc1nnc(CN(C)Cc2ccccc2)n1C ZINC000195007151 387902060 /nfs/dbraw/zinc/90/20/60/387902060.db2.gz YBXDYPUYEMBMKD-UHFFFAOYSA-N 0 0 244.342 2.010 10 0 BEAERN Cc1ccc(C)c(NCc2nnnn2C(C)C)c1 ZINC000194980706 387902069 /nfs/dbraw/zinc/90/20/69/387902069.db2.gz VPLXCZQCMQOZON-UHFFFAOYSA-N 0 0 245.330 2.483 10 0 BEAERN Cn1c(CNc2ccccc2F)nnc1C1CC1 ZINC000194981937 387902615 /nfs/dbraw/zinc/90/26/15/387902615.db2.gz SHUCXFZFJQLERW-UHFFFAOYSA-N 0 0 246.289 2.444 10 0 BEAERN Cc1cccc(NCc2nnnn2C(C)C)c1 ZINC000194989664 387902659 /nfs/dbraw/zinc/90/26/59/387902659.db2.gz ZYSQZJUICZLCQN-UHFFFAOYSA-N 0 0 231.303 2.175 10 0 BEAERN CC(C)CN1CCO[C@H](c2nccs2)C1 ZINC000195521746 387923474 /nfs/dbraw/zinc/92/34/74/387923474.db2.gz UTNRQEYESYDXRB-JTQLQIEISA-N 0 0 226.345 2.172 10 0 BEAERN CC(C)n1nnnc1CSC1CCCC1 ZINC000195516796 387923649 /nfs/dbraw/zinc/92/36/49/387923649.db2.gz UKPGFJCBQWRKHG-UHFFFAOYSA-N 0 0 226.349 2.430 10 0 BEAERN Cc1cc(C(N)=S)cc2cccnc12 ZINC000082769549 177833450 /nfs/dbraw/zinc/83/34/50/177833450.db2.gz JEBJVMGYLCWQSV-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN COc1nccc([C@H]2CCC(=O)C2)c1F ZINC000306314767 387963983 /nfs/dbraw/zinc/96/39/83/387963983.db2.gz PZCPHLABMUNMII-ZETCQYMHSA-N 0 0 209.220 2.066 10 0 BEAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H]2C)CCO1 ZINC000245645059 387969676 /nfs/dbraw/zinc/96/96/76/387969676.db2.gz BICCCAUKZFOVAP-QCNOEVLYSA-N 0 0 225.332 2.106 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000245662100 387972517 /nfs/dbraw/zinc/97/25/17/387972517.db2.gz FYUCHECQURKZIJ-FIQHERPVSA-N 0 0 227.348 2.352 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H](C)C2)O1 ZINC000246016017 388002715 /nfs/dbraw/zinc/00/27/15/388002715.db2.gz LTKBXJVEMGAJMW-MROQNXINSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCOc2ccccc21 ZINC000246012382 388003218 /nfs/dbraw/zinc/00/32/18/388003218.db2.gz KFUJWDKKYHZHKA-USWWRNFRSA-N 0 0 231.295 2.077 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CC[C@@H](C)C[C@@H]2C)O1 ZINC000246054013 388004246 /nfs/dbraw/zinc/00/42/46/388004246.db2.gz QIUFVWBNCYKGGU-FHUSYTEZSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)O1 ZINC000246081345 388006957 /nfs/dbraw/zinc/00/69/57/388006957.db2.gz TYAFRRNAFRBZEM-OBPIAQAESA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)O1 ZINC000246089655 388008537 /nfs/dbraw/zinc/00/85/37/388008537.db2.gz UZASLPMMZBQGPZ-OBPIAQAESA-N 0 0 239.359 2.495 10 0 BEAERN CCNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000082686879 388040945 /nfs/dbraw/zinc/04/09/45/388040945.db2.gz PLZLHVUSHAMILV-SNVBAGLBSA-N 0 0 220.320 2.145 10 0 BEAERN CCN(CC)C(=O)N(CC(F)F)C1CC1 ZINC000108653137 388041871 /nfs/dbraw/zinc/04/18/71/388041871.db2.gz XKTUINNKFXSDFY-UHFFFAOYSA-N 0 0 220.263 2.178 10 0 BEAERN CC[C@H]1CCCN(Cc2nnc(C)n2CC)C1 ZINC000195073578 388096266 /nfs/dbraw/zinc/09/62/66/388096266.db2.gz XGTVEBQBZGWLBD-LBPRGKRZSA-N 0 0 236.363 2.228 10 0 BEAERN C[NH+](C)CCNc1ccc(Cl)c(F)c1 ZINC000042580175 388100416 /nfs/dbraw/zinc/10/04/16/388100416.db2.gz GFJWLTXJHAIFLT-UHFFFAOYSA-N 0 0 216.687 2.453 10 0 BEAERN O=C1C[C@H](c2ccccc2Br)CN1 ZINC000083134684 388046404 /nfs/dbraw/zinc/04/64/04/388046404.db2.gz MBGRERPJWBLZCP-ZETCQYMHSA-N 0 0 240.100 2.053 10 0 BEAERN C[S@@](=N)(=O)c1cccc2cccnc21 ZINC000521399516 256515869 /nfs/dbraw/zinc/51/58/69/256515869.db2.gz VKPOJWXMDDJWHR-CQSZACIVSA-N 0 0 206.270 2.270 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521401075 256516877 /nfs/dbraw/zinc/51/68/77/256516877.db2.gz FNWCANIMLRXFTH-RNJXMRFFSA-N 0 0 241.253 2.403 10 0 BEAERN COCCNc1nccc2oc(C)cc21 ZINC000164916373 388249363 /nfs/dbraw/zinc/24/93/63/388249363.db2.gz YXQMDMXJSVKHCF-UHFFFAOYSA-N 0 0 206.245 2.195 10 0 BEAERN Cn1ncc(N)c1-c1occc1Br ZINC000575524306 388359003 /nfs/dbraw/zinc/35/90/03/388359003.db2.gz SQUCYMQQHKAXQS-UHFFFAOYSA-N 0 0 242.076 2.025 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ncc(Br)cn1 ZINC000067120311 388405054 /nfs/dbraw/zinc/40/50/54/388405054.db2.gz IGHJRJTZQOVJFU-VDTYLAMSSA-N 0 0 228.093 2.059 10 0 BEAERN Cc1ccc([C@@H]2CCCCN2S(C)(=O)=O)o1 ZINC000173716833 388362824 /nfs/dbraw/zinc/36/28/24/388362824.db2.gz BWCCXHZXTSAUGY-JTQLQIEISA-N 0 0 243.328 2.075 10 0 BEAERN CSC1(CNC(=O)OC(C)C)CCC1 ZINC000235081136 388365070 /nfs/dbraw/zinc/36/50/70/388365070.db2.gz MWLPGIPILYQYNZ-UHFFFAOYSA-N 0 0 217.334 2.407 10 0 BEAERN CO[C@H](C)[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000300400805 388367248 /nfs/dbraw/zinc/36/72/48/388367248.db2.gz ZURLPJGBLINZJQ-IVZWLZJFSA-N 0 0 212.293 2.057 10 0 BEAERN CCC1(C2N=NC(=S)N2C)CCCC1 ZINC000228197711 388379961 /nfs/dbraw/zinc/37/99/61/388379961.db2.gz ZFHJXIANYBZLRE-UHFFFAOYSA-N 0 0 211.334 2.326 10 0 BEAERN Clc1nsnc1NC[C@@H]1CCSC1 ZINC000228600060 388386400 /nfs/dbraw/zinc/38/64/00/388386400.db2.gz UVTTVCLGYCNTII-YFKPBYRVSA-N 0 0 235.765 2.357 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](O)C2)c(C)c1 ZINC000335083061 388448221 /nfs/dbraw/zinc/44/82/21/388448221.db2.gz KRPGUUOWNAAGSB-AAEUAGOBSA-N 0 0 247.338 2.146 10 0 BEAERN Cc1cc(C)cc(C(=O)N2C[C@@H](C)C[C@H](O)C2)c1 ZINC000335086020 388448315 /nfs/dbraw/zinc/44/83/15/388448315.db2.gz PWEKJGRLYHWJCG-JSGCOSHPSA-N 0 0 247.338 2.146 10 0 BEAERN OCCc1ccc(F)cc1Br ZINC000069049536 388412771 /nfs/dbraw/zinc/41/27/71/388412771.db2.gz AVHIUBUCWYRMQV-UHFFFAOYSA-N 0 0 219.053 2.123 10 0 BEAERN CC(C)OC(=O)N1CCSC[C@H](C)C1 ZINC000307304070 388423774 /nfs/dbraw/zinc/42/37/74/388423774.db2.gz GQDJMFWNENYOJN-SECBINFHSA-N 0 0 217.334 2.216 10 0 BEAERN CC(C)c1noc(-c2ccc(Cl)nn2)n1 ZINC000070451435 388435856 /nfs/dbraw/zinc/43/58/56/388435856.db2.gz DVTSYUSAOPOWCY-UHFFFAOYSA-N 0 0 224.651 2.303 10 0 BEAERN COn1c2ccccc2c2cnsc21 ZINC000085949359 256776806 /nfs/dbraw/zinc/77/68/06/256776806.db2.gz MCKJZUFMGOTAKT-UHFFFAOYSA-N 0 0 204.254 2.309 10 0 endogenous,in-man BEAERN CCOc1cc(NC(C)(C)CC)ncn1 ZINC000135149260 388483329 /nfs/dbraw/zinc/48/33/29/388483329.db2.gz FQGVWOZVXOIFKB-UHFFFAOYSA-N 0 0 209.293 2.476 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)CC(C)(C)C1CC1 ZINC000405765853 388489932 /nfs/dbraw/zinc/48/99/32/388489932.db2.gz IXLJAIOMYZGOCV-CMPLNLGQSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1nc([C@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000378760185 388500983 /nfs/dbraw/zinc/50/09/83/388500983.db2.gz AROGALZUNVCVBI-CPOMMVLXSA-N 0 0 221.304 2.217 10 0 BEAERN CC(C)[C@H](O)CC(=O)NC/C=C/c1ccccc1 ZINC000178950493 388506852 /nfs/dbraw/zinc/50/68/52/388506852.db2.gz VRWZLRQQGPIIPX-VIIAAUOXSA-N 0 0 247.338 2.223 10 0 BEAERN CO[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233784 256806889 /nfs/dbraw/zinc/80/68/89/256806889.db2.gz MIZMXJYGTUQDKE-UWVGGRQHSA-N 0 0 239.290 2.346 10 0 BEAERN CCc1cnccc1C(=O)N[C@H](C)C1CC1 ZINC000136296386 388529275 /nfs/dbraw/zinc/52/92/75/388529275.db2.gz XLSZQKIPRUKNGH-SECBINFHSA-N 0 0 218.300 2.172 10 0 BEAERN CC(C)c1cc(C(=O)N[C@@H](C)C(C)C)n(C)n1 ZINC000081812582 388595779 /nfs/dbraw/zinc/59/57/79/388595779.db2.gz FWRNNVCKFXFSCD-JTQLQIEISA-N 0 0 237.347 2.318 10 0 BEAERN Cc1cc(C(N)=S)ccc1NC1CC1 ZINC000037733493 388610406 /nfs/dbraw/zinc/61/04/06/388610406.db2.gz GUJSCTGHZZBBAP-UHFFFAOYSA-N 0 0 206.314 2.204 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000186069387 256861610 /nfs/dbraw/zinc/86/16/10/256861610.db2.gz NCXDWRDFXNQXCF-MNOVXSKESA-N 0 0 242.363 2.288 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1C ZINC000253552964 388614292 /nfs/dbraw/zinc/61/42/92/388614292.db2.gz WBHWGZCMZBWRKN-JFGNBEQYSA-N 0 0 248.326 2.342 10 0 BEAERN CCn1ccnc1C[S@](=O)Cc1ccccc1 ZINC000081525813 388580177 /nfs/dbraw/zinc/58/01/77/388580177.db2.gz OXETVZFJKOEROR-KRWDZBQOSA-N 0 0 248.351 2.352 10 0 BEAERN C[C@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCS1 ZINC000245455411 388580991 /nfs/dbraw/zinc/58/09/91/388580991.db2.gz IBCFDMZDNZTMRV-NNYUYHANSA-N 0 0 239.384 2.387 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@]2(C)CO)nc(C)n1 ZINC000301432746 388583101 /nfs/dbraw/zinc/58/31/01/388583101.db2.gz GLKXUKLDRBNYOL-DGCLKSJQSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(-c2cccc3c2CNC3=O)ccc1N ZINC000222390675 388584140 /nfs/dbraw/zinc/58/41/40/388584140.db2.gz CSHBFVHGYYTASF-UHFFFAOYSA-N 0 0 238.290 2.488 10 0 BEAERN C[C@@H]1CN(C)C(=O)N([C@@H]2C=CCCC2)C1 ZINC000222194648 388584249 /nfs/dbraw/zinc/58/42/49/388584249.db2.gz QYAAMAJOFNKYLZ-GHMZBOCLSA-N 0 0 208.305 2.099 10 0 BEAERN Cc1cc(Br)n([C@@H]2CCCOC2)n1 ZINC000096984894 177723907 /nfs/dbraw/zinc/72/39/07/177723907.db2.gz VBXABKUQABDBLS-MRVPVSSYSA-N 0 0 245.120 2.306 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)O1 ZINC000248631826 388686472 /nfs/dbraw/zinc/68/64/72/388686472.db2.gz WRKIVMYXBSORSV-SYLRKERUSA-N 0 0 239.359 2.495 10 0 BEAERN CC(=O)Oc1cnc(C)c(C(F)(F)F)c1 ZINC000575432166 388618595 /nfs/dbraw/zinc/61/85/95/388618595.db2.gz KMTMSQPPUXOQFY-UHFFFAOYSA-N 0 0 219.162 2.334 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000642618481 388620838 /nfs/dbraw/zinc/62/08/38/388620838.db2.gz RZJNVSQHWRZKQN-GARJFASQSA-N 0 0 228.336 2.042 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)c1ncc(C=O)o1 ZINC000199723491 388622467 /nfs/dbraw/zinc/62/24/67/388622467.db2.gz ZMAWGHOQUYWPTD-SSDOTTSWSA-N 0 0 240.259 2.073 10 0 BEAERN Cc1cc(N)ncc1-c1cnc(C2CC2)o1 ZINC000530251613 388640548 /nfs/dbraw/zinc/64/05/48/388640548.db2.gz ULPFXENYNCWFIC-UHFFFAOYSA-N 0 0 215.256 2.335 10 0 BEAERN CN(C)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000123892660 388659359 /nfs/dbraw/zinc/65/93/59/388659359.db2.gz PSOGEHKHHQGVOW-UHFFFAOYSA-N 0 0 212.337 2.426 10 0 BEAERN CCCn1nccc1NC(=O)c1ccccc1O ZINC000124260651 388660710 /nfs/dbraw/zinc/66/07/10/388660710.db2.gz YUJYIOKATKKEAC-UHFFFAOYSA-N 0 0 245.282 2.251 10 0 BEAERN CSCCCCNC(=O)c1ccco1 ZINC000124542738 388663371 /nfs/dbraw/zinc/66/33/71/388663371.db2.gz FMZKAANSOCMBMK-UHFFFAOYSA-N 0 0 213.302 2.153 10 0 BEAERN O=Cc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000075934927 388663377 /nfs/dbraw/zinc/66/33/77/388663377.db2.gz FLSYNXUEYIOWAW-UHFFFAOYSA-N 0 0 223.235 2.437 10 0 BEAERN CC[C@H](NC(=O)N(C)C1CCC1)[C@H]1CCCO1 ZINC000128367316 388751465 /nfs/dbraw/zinc/75/14/65/388751465.db2.gz GRKSMCXGIJHOGW-NWDGAFQWSA-N 0 0 240.347 2.138 10 0 BEAERN Nc1nnc([C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000129485707 388699482 /nfs/dbraw/zinc/69/94/82/388699482.db2.gz SOPMGZYDIAZLBQ-PHDIDXHHSA-N 0 0 235.209 2.488 10 0 BEAERN Nc1nnc([C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000127064480 388699812 /nfs/dbraw/zinc/69/98/12/388699812.db2.gz QEQKYXFPSIPUJU-RITPCOANSA-N 0 0 235.209 2.488 10 0 BEAERN COc1cccc([C@@]2(O)CSC[C@@H]2C)c1 ZINC000389697275 388702910 /nfs/dbraw/zinc/70/29/10/388702910.db2.gz JAXBXOPOYPKEPJ-JOYOIKCWSA-N 0 0 224.325 2.266 10 0 BEAERN CC[C@@H](SC)C(=O)NCc1cccc(C)n1 ZINC000126996711 388710687 /nfs/dbraw/zinc/71/06/87/388710687.db2.gz ACOFRHASAJWRCR-LLVKDONJSA-N 0 0 238.356 2.148 10 0 BEAERN Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)nc1 ZINC000127040526 388712000 /nfs/dbraw/zinc/71/20/00/388712000.db2.gz MPRFLWDWHBJNCS-JSGCOSHPSA-N 0 0 234.343 2.031 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1C(=O)OC(C)C ZINC000127058045 388712945 /nfs/dbraw/zinc/71/29/45/388712945.db2.gz JEELMLZEWDZEGM-ZJUUUORDSA-N 0 0 215.293 2.031 10 0 BEAERN CC[C@@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000249279796 388715109 /nfs/dbraw/zinc/71/51/09/388715109.db2.gz MHYHQPNRNSINMY-DGCLKSJQSA-N 0 0 237.347 2.075 10 0 BEAERN CC(C)OC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000127439604 388723006 /nfs/dbraw/zinc/72/30/06/388723006.db2.gz PSOYLPSRBNQCNN-DTORHVGOSA-N 0 0 217.334 2.357 10 0 BEAERN Cc1ncc(-c2cnc(C=O)s2)s1 ZINC000575449356 388729446 /nfs/dbraw/zinc/72/94/46/388729446.db2.gz OADPMBLZBFSNAF-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000249752893 388732428 /nfs/dbraw/zinc/73/24/28/388732428.db2.gz BNQGJOOGBAGGIY-YFKTTZPYSA-N 0 0 242.363 2.288 10 0 BEAERN CC[C@@H]1CN(C(=O)OC(C)C)CCS1 ZINC000127866107 388733476 /nfs/dbraw/zinc/73/34/76/388733476.db2.gz BAFXQSQMKGDQNV-SECBINFHSA-N 0 0 217.334 2.359 10 0 BEAERN CO[C@H](C)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000128779064 388792632 /nfs/dbraw/zinc/79/26/32/388792632.db2.gz QZIHHJPSHXPZTQ-QWHCGFSZSA-N 0 0 249.354 2.419 10 0 BEAERN CSCCCC(=O)N[C@@H](C)C1CC1 ZINC000128483072 388764311 /nfs/dbraw/zinc/76/43/11/388764311.db2.gz UZKXNRVYTCGOPZ-QMMMGPOBSA-N 0 0 201.335 2.044 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NCC1(O)CCCCC1 ZINC000303398491 388812658 /nfs/dbraw/zinc/81/26/58/388812658.db2.gz JNHWADQOFLUCDO-LLVKDONJSA-N 0 0 242.363 2.025 10 0 BEAERN Cc1ccc(CN(C)C(=O)c2ncoc2C)o1 ZINC000129108116 388818832 /nfs/dbraw/zinc/81/88/32/388818832.db2.gz IZKWUUWZVHJZFH-UHFFFAOYSA-N 0 0 234.255 2.157 10 0 BEAERN Cc1cc(-c2nsc(N)n2)c(C)s1 ZINC000049685468 177696504 /nfs/dbraw/zinc/69/65/04/177696504.db2.gz UFOQRCWSRPUMIQ-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN Clc1cncc(N[C@@H]2CCO[C@@H]2C2CC2)n1 ZINC000230307437 388822886 /nfs/dbraw/zinc/82/28/86/388822886.db2.gz QMGSFIMOEUVJLW-LDYMZIIASA-N 0 0 239.706 2.109 10 0 BEAERN CN1CCCC[C@@H]1c1nsc(Cl)n1 ZINC000575463348 388831135 /nfs/dbraw/zinc/83/11/35/388831135.db2.gz MGUXHHPTPLTSNI-ZCFIWIBFSA-N 0 0 217.725 2.348 10 0 BEAERN CCC1CCC(NC(=O)[C@@H](C)OC)CC1 ZINC000129376140 388834773 /nfs/dbraw/zinc/83/47/73/388834773.db2.gz QAPCMNXZZCNTNH-KPPDAEKUSA-N 0 0 213.321 2.106 10 0 BEAERN CCC1CCC(NC(=O)[C@H](C)OC)CC1 ZINC000129376368 388835530 /nfs/dbraw/zinc/83/55/30/388835530.db2.gz QAPCMNXZZCNTNH-WHXUTIOJSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1cc(-c2nc(CC3CCC3)no2)nn1C ZINC000328998440 177691292 /nfs/dbraw/zinc/69/12/92/177691292.db2.gz KMNJLHFZJSELPP-UHFFFAOYSA-N 0 0 232.287 2.121 10 0 BEAERN O=C(NCC1CC2(CCC2)C1)C(F)(F)F ZINC000575492879 388945779 /nfs/dbraw/zinc/94/57/79/388945779.db2.gz JITFQDRTNIUONG-UHFFFAOYSA-N 0 0 221.222 2.245 10 0 BEAERN Cc1ccc(C(=O)NC[C@H](O)C(C)(C)C)c(C)c1 ZINC000268705370 389003202 /nfs/dbraw/zinc/00/32/02/389003202.db2.gz LCTFCNJCXXTBJI-ZDUSSCGKSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000268705368 389003268 /nfs/dbraw/zinc/00/32/68/389003268.db2.gz LCTFCNJCXXTBJI-CYBMUJFWSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1cscc1C(=O)NC[C@H](O)C(C)(C)C ZINC000269073667 389006857 /nfs/dbraw/zinc/00/68/57/389006857.db2.gz UINVVQRZPLEICE-JTQLQIEISA-N 0 0 241.356 2.193 10 0 BEAERN S=C1SCNCN1c1ccccc1 ZINC000031778703 132334533 /nfs/dbraw/zinc/33/45/33/132334533.db2.gz IYENZKBHSIILBY-UHFFFAOYSA-N 0 0 210.327 2.029 10 0 BEAERN CC[C@@H]1CN(c2cccc(F)c2N)CCO1 ZINC000037419706 132344456 /nfs/dbraw/zinc/34/44/56/132344456.db2.gz DFYVHLUBEWZICL-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1c(F)cc(N)cc1F ZINC000038040124 132346098 /nfs/dbraw/zinc/34/60/98/132346098.db2.gz NXOCMYMSQLHNIK-SFYZADRCSA-N 0 0 242.269 2.161 10 0 BEAERN Cc1cc(N2CCCCC2=O)ccc1N ZINC000043570261 132353709 /nfs/dbraw/zinc/35/37/09/132353709.db2.gz USSLVIMVVHYJPN-UHFFFAOYSA-N 0 0 204.273 2.094 10 0 BEAERN Cc1ccc2c(c1)N1CCSC[C@H]1CN2 ZINC000082364920 132413953 /nfs/dbraw/zinc/41/39/53/132413953.db2.gz BZECXGVNBZDOCF-SNVBAGLBSA-N 0 0 220.341 2.342 10 0 BEAERN CC(C)C1(CNC(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000120488421 166745139 /nfs/dbraw/zinc/74/51/39/166745139.db2.gz KBBSSIHPLITVJN-MNOVXSKESA-N 0 0 225.332 2.106 10 0 BEAERN COC(=O)[C@H]1Cc2c(cccc2F)S1 ZINC000504815783 533558675 /nfs/dbraw/zinc/55/86/75/533558675.db2.gz PHIKGLVDJYDVNV-SECBINFHSA-N 0 0 212.245 2.016 10 0 BEAERN Cc1cncc(N2CCS[C@H](C)[C@H]2C)n1 ZINC000302226787 132261928 /nfs/dbraw/zinc/26/19/28/132261928.db2.gz PUFOATZIBXVOCQ-NXEZZACHSA-N 0 0 223.345 2.115 10 0 BEAERN Cc1nc(N2CCSCC2)nc(Cl)c1C ZINC000057331227 132301071 /nfs/dbraw/zinc/30/10/71/132301071.db2.gz FYICDLJLIWOIQS-UHFFFAOYSA-N 0 0 243.763 2.300 10 0 BEAERN S=c1ccc(N2CCc3ccccc3C2)n[nH]1 ZINC000073666280 132303546 /nfs/dbraw/zinc/30/35/46/132303546.db2.gz HUBQXDYYXAWMHH-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN CO[C@H]1C=Cc2ccccc2N1C(C)=O ZINC000003626007 132308848 /nfs/dbraw/zinc/30/88/48/132308848.db2.gz DNVWXCCXMJHGAD-LBPRGKRZSA-N 0 0 203.241 2.039 10 0 BEAERN C[C@H]1CN(c2ncccc2Cl)CCC1=O ZINC000090659437 132311621 /nfs/dbraw/zinc/31/16/21/132311621.db2.gz UVPCMAPULITPKN-QMMMGPOBSA-N 0 0 224.691 2.150 10 0 BEAERN Cc1cc2c(nc(C)nc2N2CCOCC2)s1 ZINC000000224202 132313212 /nfs/dbraw/zinc/31/32/12/132313212.db2.gz LEJGFHLNKYDROF-UHFFFAOYSA-N 0 0 249.339 2.145 10 0 BEAERN O=C1CC2(CCCC2)CC(=O)N1c1ccncc1 ZINC000001739764 132314580 /nfs/dbraw/zinc/31/45/80/132314580.db2.gz XGZWMUDFIPBXCN-UHFFFAOYSA-N 0 0 244.294 2.295 10 0 BEAERN CN1C[C@@H](CCCO)Cc2ccccc21 ZINC000005328904 132317696 /nfs/dbraw/zinc/31/76/96/132317696.db2.gz OKHXDJSBAUNQHV-NSHDSACASA-N 0 0 205.301 2.068 10 0 BEAERN Cc1ccc(N)c(C)c1N1CCCCC1=O ZINC000019428855 132324812 /nfs/dbraw/zinc/32/48/12/132324812.db2.gz CPUZEQQJYGEJLF-UHFFFAOYSA-N 0 0 218.300 2.403 10 0 BEAERN Cc1ccc(N2CCC(=O)CC2)cc1F ZINC000019433760 132324942 /nfs/dbraw/zinc/32/49/42/132324942.db2.gz GDRCEYKJECPLCC-UHFFFAOYSA-N 0 0 207.248 2.303 10 0 BEAERN C[C@@H]1CCCCN1c1cc(C(N)=S)ccn1 ZINC000019488302 132325738 /nfs/dbraw/zinc/32/57/38/132325738.db2.gz DFORDOHYSBDHNG-SECBINFHSA-N 0 0 235.356 2.095 10 0 BEAERN CC(=O)c1ccc(N2CCC(CO)CC2)cc1 ZINC000034959116 132337209 /nfs/dbraw/zinc/33/72/09/132337209.db2.gz SMBXFZNMOVKWOL-UHFFFAOYSA-N 0 0 233.311 2.098 10 0 BEAERN Nc1ccc(N2CCSCC2)c2cccnc12 ZINC000035340472 132338312 /nfs/dbraw/zinc/33/83/12/132338312.db2.gz YDDLSDOCWYRMSN-UHFFFAOYSA-N 0 0 245.351 2.370 10 0 BEAERN COC1CCN(c2ccccc2[C@H](C)O)CC1 ZINC000035650559 132338907 /nfs/dbraw/zinc/33/89/07/132338907.db2.gz URLCXNNTWXWALS-NSHDSACASA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H]1COCCN1c1ccc2cc(N)ccc2n1 ZINC000035774250 132339167 /nfs/dbraw/zinc/33/91/67/132339167.db2.gz LYJQNAAYYAEWTN-SNVBAGLBSA-N 0 0 243.310 2.042 10 0 BEAERN CC(=O)c1cc(F)ccc1N1CCOC[C@@H]1C ZINC000035776694 132339310 /nfs/dbraw/zinc/33/93/10/132339310.db2.gz WBUJFQGKOJFIQX-VIFPVBQESA-N 0 0 237.274 2.253 10 0 BEAERN C[C@@H](O)c1c(F)cccc1N1CCOC[C@H]1C ZINC000035777320 132339448 /nfs/dbraw/zinc/33/94/48/132339448.db2.gz JFCQMUMAJFKNNZ-NXEZZACHSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@H]1COCCN1c1ccc(Cl)cc1N ZINC000035774447 132339457 /nfs/dbraw/zinc/33/94/57/132339457.db2.gz ABTSXNYYBNHFDY-QMMMGPOBSA-N 0 0 226.707 2.147 10 0 BEAERN Cc1cc(N2C[C@@H](C)OC[C@@H]2C)ccc1N ZINC000035783707 132339768 /nfs/dbraw/zinc/33/97/68/132339768.db2.gz VNGCYVYYRHBJMO-WDEREUQCSA-N 0 0 220.316 2.191 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1ccccc1N ZINC000036131844 132340062 /nfs/dbraw/zinc/34/00/62/132340062.db2.gz ONTUWNSXVAVIPC-GHMZBOCLSA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1ccc(F)cc1N ZINC000036131886 132340063 /nfs/dbraw/zinc/34/00/63/132340063.db2.gz VODJJAAXFYHVPU-ONGXEEELSA-N 0 0 238.306 2.412 10 0 BEAERN Nc1cc(Cl)ccc1N1CCC[C@@H](CO)C1 ZINC000036227037 132340933 /nfs/dbraw/zinc/34/09/33/132340933.db2.gz CHXJJMZLKDAFPJ-SECBINFHSA-N 0 0 240.734 2.131 10 0 BEAERN CC[C@@H]1CN(c2ccc(N)c(C)c2)CCO1 ZINC000036769270 132342453 /nfs/dbraw/zinc/34/24/53/132342453.db2.gz FRUIERZMXROPNX-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN COc1nc(N2CCCC[C@H]2C)ccc1N ZINC000037066284 132343277 /nfs/dbraw/zinc/34/32/77/132343277.db2.gz QRGUSMWHIFEKHZ-SECBINFHSA-N 0 0 221.304 2.051 10 0 BEAERN COc1nc(N2C[C@H](C)C[C@H](C)C2)ccc1N ZINC000037066490 132343282 /nfs/dbraw/zinc/34/32/82/132343282.db2.gz QYMKQHJJKUWCQG-AOOOYVTPSA-N 0 0 235.331 2.155 10 0 BEAERN COc1nc(N2CCCC[C@@H]2C)ccc1N ZINC000037066285 132343351 /nfs/dbraw/zinc/34/33/51/132343351.db2.gz QRGUSMWHIFEKHZ-VIFPVBQESA-N 0 0 221.304 2.051 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1cccc(F)c1N ZINC000037419769 132344465 /nfs/dbraw/zinc/34/44/65/132344465.db2.gz GCVQTNWXFHPQRV-UWVGGRQHSA-N 0 0 238.306 2.412 10 0 BEAERN Nc1cccc2c1CCCN2C[C@@H]1CCCO1 ZINC000037906205 132345581 /nfs/dbraw/zinc/34/55/81/132345581.db2.gz HVKGVYSVBCLAEW-NSHDSACASA-N 0 0 232.327 2.200 10 0 BEAERN C[C@@H]1CN(c2c(F)cc(N)cc2F)C[C@H](C)O1 ZINC000038039794 132345741 /nfs/dbraw/zinc/34/57/41/132345741.db2.gz IPLRGOYGWSHSRE-OCAPTIKFSA-N 0 0 242.269 2.161 10 0 BEAERN CCN1CCCc2cccc(C(=O)OC)c21 ZINC000039102153 132346358 /nfs/dbraw/zinc/34/63/58/132346358.db2.gz OTVRXNGTPVDCJX-UHFFFAOYSA-N 0 0 219.284 2.246 10 0 BEAERN COCCCN1CCCc2cccc(N)c21 ZINC000042138092 132350918 /nfs/dbraw/zinc/35/09/18/132350918.db2.gz JXDDWDYNIIWJHY-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN Nc1ccc(N2CCCC[C@@H]2CO)c(Cl)c1 ZINC000042432123 132351976 /nfs/dbraw/zinc/35/19/76/132351976.db2.gz HOTRJQYTKGCSSJ-SNVBAGLBSA-N 0 0 240.734 2.273 10 0 BEAERN COc1cc(OC)cc(N2CCC(=O)[C@H](C)C2)c1 ZINC000049693460 132356412 /nfs/dbraw/zinc/35/64/12/132356412.db2.gz LYVJOJXZTGFHSX-SNVBAGLBSA-N 0 0 249.310 2.119 10 0 BEAERN Cc1cc(N)c(N2CCCCC2=O)cc1C ZINC000050439735 132358849 /nfs/dbraw/zinc/35/88/49/132358849.db2.gz GEIJSIIXIHJWQV-UHFFFAOYSA-N 0 0 218.300 2.403 10 0 BEAERN Cc1cc(N)c(N2CCCOC2=O)cc1C ZINC000050439761 132358893 /nfs/dbraw/zinc/35/88/93/132358893.db2.gz PMSZICBCKLYYKW-UHFFFAOYSA-N 0 0 220.272 2.232 10 0 BEAERN O=C([O-])CC[C@@H]1CCCCN1c1cc[nH+]cc1 ZINC000050923857 132359567 /nfs/dbraw/zinc/35/95/67/132359567.db2.gz APLYCBWWSWWCNJ-NSHDSACASA-N 0 0 234.299 2.305 10 0 BEAERN CC1(C)CCN(c2ncccc2N)CC1 ZINC000061819230 132387208 /nfs/dbraw/zinc/38/72/08/132387208.db2.gz XQBQXZVYDVKGIM-UHFFFAOYSA-N 0 0 205.305 2.290 10 0 BEAERN c1csc(-c2ccnc(N3CCOCC3)n2)c1 ZINC000072443387 132397191 /nfs/dbraw/zinc/39/71/91/132397191.db2.gz CUBLVUNCKBILSX-UHFFFAOYSA-N 0 0 247.323 2.042 10 0 BEAERN Cc1ccc(N2C[C@H](C)OC[C@@H]2C)cc1N ZINC000061701255 132502495 /nfs/dbraw/zinc/50/24/95/132502495.db2.gz VBDQZPJGZHPWBX-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000408025159 133463380 /nfs/dbraw/zinc/46/33/80/133463380.db2.gz ONOASHVESGJOOK-WYUUTHIRSA-N 0 0 240.347 2.042 10 0 BEAERN O=C(c1ncccc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000334255670 133599897 /nfs/dbraw/zinc/59/98/97/133599897.db2.gz YTMYLECUZOGOLO-WCBMZHEXSA-N 0 0 236.702 2.360 10 0 BEAERN O=C(N[C@H]1CCc2ccccc21)N1CC[C@@H](F)C1 ZINC000334501383 133656154 /nfs/dbraw/zinc/65/61/54/133656154.db2.gz FECNDGMBIGAUIF-YPMHNXCESA-N 0 0 248.301 2.427 10 0 BEAERN c1ccc(N2CC3(CCC3)[C@@H]3COC[C@H]32)nc1 ZINC000334727571 133741621 /nfs/dbraw/zinc/74/16/21/133741621.db2.gz LINITZYMFMQAPF-VXGBXAGGSA-N 0 0 230.311 2.087 10 0 BEAERN CC(C)[C@H]1N(C(=O)C2(C)CC2)C[C@]12CCCO2 ZINC000335754223 133892533 /nfs/dbraw/zinc/89/25/33/133892533.db2.gz XBRZNXZGNIKKKV-BXUZGUMPSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCC(C(N)=O)CC1 ZINC000335805906 133915544 /nfs/dbraw/zinc/91/55/44/133915544.db2.gz XGSAQLQZJMAOMG-ONGXEEELSA-N 0 0 238.331 2.196 10 0 BEAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1CCCCC1 ZINC000335939334 134013928 /nfs/dbraw/zinc/01/39/28/134013928.db2.gz ZOJZCFPRUXLYKB-ZJUUUORDSA-N 0 0 242.294 2.041 10 0 BEAERN Cc1ccnc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000335992259 134040616 /nfs/dbraw/zinc/04/06/16/134040616.db2.gz HJWHGGCXCQMHRJ-MNOVXSKESA-N 0 0 231.299 2.406 10 0 BEAERN Cc1nnc(N2CCC[C@@H]2C2CCCC2)n1C ZINC000336004516 134048521 /nfs/dbraw/zinc/04/85/21/134048521.db2.gz VMIOZVFCEAYJHN-GFCCVEGCSA-N 0 0 234.347 2.283 10 0 BEAERN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C)C1 ZINC000336010821 134051027 /nfs/dbraw/zinc/05/10/27/134051027.db2.gz IIZCAHZTQQOVIN-STQMWFEESA-N 0 0 238.375 2.118 10 0 BEAERN COc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)c(O)c1 ZINC000336143818 134101316 /nfs/dbraw/zinc/10/13/16/134101316.db2.gz YTSVPBQTWNFTCK-SKDRFNHKSA-N 0 0 247.294 2.025 10 0 BEAERN c1ccc2c(c1)N([C@@H]1CCOC1)CC21CC1 ZINC000336145774 134102042 /nfs/dbraw/zinc/10/20/42/134102042.db2.gz QAWLNWKEPIOYJE-LLVKDONJSA-N 0 0 215.296 2.327 10 0 BEAERN C[C@@H]1CN(c2nc(C3CCC3)no2)CCS1 ZINC000336199378 134127768 /nfs/dbraw/zinc/12/77/68/134127768.db2.gz CQWUGMFZONLBMU-MRVPVSSYSA-N 0 0 239.344 2.279 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632880 134252793 /nfs/dbraw/zinc/25/27/93/134252793.db2.gz LFXXDYYWKDUOIA-KWQFWETISA-N 0 0 243.266 2.331 10 0 BEAERN CCCN(Cc1nnc(C(C)C)n1C)C1CC1 ZINC000171678433 134257803 /nfs/dbraw/zinc/25/78/03/134257803.db2.gz QAPFQMPMPPKAOE-UHFFFAOYSA-N 0 0 236.363 2.313 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000171925273 134263218 /nfs/dbraw/zinc/26/32/18/134263218.db2.gz HUDOBUCZXBUIDN-RWMBFGLXSA-N 0 0 239.359 2.449 10 0 BEAERN CCCC[C@H](CCC)SC[C@@H](O)CO ZINC000177406460 134297722 /nfs/dbraw/zinc/29/77/22/134297722.db2.gz GPWSSTHJSKRZJQ-QWRGUYRKSA-N 0 0 220.378 2.432 10 0 BEAERN CCN(CC(C)C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000178042012 134302614 /nfs/dbraw/zinc/30/26/14/134302614.db2.gz WOXRBLHWAKJGOX-GHMZBOCLSA-N 0 0 213.321 2.058 10 0 BEAERN CC/C=C(\C)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178559020 134308126 /nfs/dbraw/zinc/30/81/26/134308126.db2.gz NMSSQYBFKXTUJZ-BBVLPBNKSA-N 0 0 245.322 2.117 10 0 BEAERN CCCCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178342949 134308691 /nfs/dbraw/zinc/30/86/91/134308691.db2.gz FGODQVUYBCBWPY-ZFWWWQNUSA-N 0 0 247.338 2.341 10 0 BEAERN COCCC[C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000181662753 134338445 /nfs/dbraw/zinc/33/84/45/134338445.db2.gz RCWWGGNEDNTGCR-QWRGUYRKSA-N 0 0 245.388 2.013 10 0 BEAERN CCCc1noc(COc2cccc(C)n2)n1 ZINC000181784405 134339473 /nfs/dbraw/zinc/33/94/73/134339473.db2.gz OFWUMWGBAPUXMB-UHFFFAOYSA-N 0 0 233.271 2.305 10 0 BEAERN COCCC(C)(C)C(=O)N[C@@H](C)C(C)C ZINC000183720252 134354069 /nfs/dbraw/zinc/35/40/69/134354069.db2.gz QERZPPORPWIRSM-JTQLQIEISA-N 0 0 215.337 2.210 10 0 BEAERN C[C@H](c1ccc(Cl)s1)N1C(=O)CNC1=O ZINC000225798541 134357179 /nfs/dbraw/zinc/35/71/79/134357179.db2.gz OUIIGZWGCNVYIF-RXMQYKEDSA-N 0 0 244.703 2.014 10 0 BEAERN Cc1cncc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000227301343 134377492 /nfs/dbraw/zinc/37/74/92/134377492.db2.gz NBWKPSRZSMOQFQ-CQSZACIVSA-N 0 0 234.343 2.127 10 0 BEAERN COC(=O)[C@@H](C)N1CC2(CC2)c2ccccc21 ZINC000185302635 134379802 /nfs/dbraw/zinc/37/98/02/134379802.db2.gz BGWHTVXDPPWFMV-SNVBAGLBSA-N 0 0 231.295 2.100 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nc(C)ccc2O)o1 ZINC000227555978 134383230 /nfs/dbraw/zinc/38/32/30/134383230.db2.gz JPBUELNEBGDMOO-SNVBAGLBSA-N 0 0 247.298 2.243 10 0 BEAERN C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151032867 134460290 /nfs/dbraw/zinc/46/02/90/134460290.db2.gz DTFNSYXGRHVAGK-MDZLAQPJSA-N 0 0 248.326 2.169 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@H]1CCCO[C@H]1C ZINC000187964772 134475340 /nfs/dbraw/zinc/47/53/40/134475340.db2.gz NSWANSZQHREGTC-WOPDTQHZSA-N 0 0 227.348 2.210 10 0 BEAERN CC(C)=C(F)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000153117874 134524543 /nfs/dbraw/zinc/52/45/43/134524543.db2.gz QULXDLKTFBOUQN-GHMZBOCLSA-N 0 0 241.306 2.420 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H](C)C1 ZINC000190377380 134560155 /nfs/dbraw/zinc/56/01/55/134560155.db2.gz BYDSIFWCTGJWFM-JHJVBQTASA-N 0 0 239.359 2.450 10 0 BEAERN Cc1ccc(N)cc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000193446410 134597212 /nfs/dbraw/zinc/59/72/12/134597212.db2.gz LZESNDHISCXZEZ-WZRBSPASSA-N 0 0 246.310 2.083 10 0 BEAERN O=C(NCc1cscn1)c1cccs1 ZINC000050407660 134660275 /nfs/dbraw/zinc/66/02/75/134660275.db2.gz CYBPQUUDFKAUEI-UHFFFAOYSA-N 0 0 224.310 2.135 10 0 BEAERN Cc1ccc(C(=O)NCc2cscn2)c(C)n1 ZINC000050408783 134660678 /nfs/dbraw/zinc/66/06/78/134660678.db2.gz MDOSWZVKYALBRP-UHFFFAOYSA-N 0 0 247.323 2.085 10 0 BEAERN O=C(CC1CCCCC1)N[C@@H]1CCCC[C@@H]1O ZINC000052001503 134694048 /nfs/dbraw/zinc/69/40/48/134694048.db2.gz PGJQCXZNKILKTJ-OLZOCXBDSA-N 0 0 239.359 2.377 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)NC1CCC(C)CC1 ZINC000134462754 134710123 /nfs/dbraw/zinc/71/01/23/134710123.db2.gz ANRUMOIHEXZFOR-ADPBJBESSA-N 0 0 240.347 2.042 10 0 BEAERN CCc1nccn1Cc1cn2ccsc2n1 ZINC000134516939 134712752 /nfs/dbraw/zinc/71/27/52/134712752.db2.gz QVIQERFGHLNOTK-UHFFFAOYSA-N 0 0 232.312 2.203 10 0 BEAERN COCCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000194890238 134831942 /nfs/dbraw/zinc/83/19/42/134831942.db2.gz GVTNYFQPKVFTMS-GFCCVEGCSA-N 0 0 249.310 2.053 10 0 BEAERN O=C(NCCCCO)[C@H]1C[C@H]1C1CCCCC1 ZINC000194989930 134833319 /nfs/dbraw/zinc/83/33/19/134833319.db2.gz DKALVCXYAFSUGV-STQMWFEESA-N 0 0 239.359 2.092 10 0 BEAERN CC[C@H](C)CN(CC)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000246077666 134875805 /nfs/dbraw/zinc/87/58/05/134875805.db2.gz SXUWZOXEKZPUGL-QJPTWQEYSA-N 0 0 227.348 2.449 10 0 BEAERN C[C@@H]1Cc2ccccc2N(CC(C)(C)O)C1 ZINC000071084536 134929554 /nfs/dbraw/zinc/92/95/54/134929554.db2.gz QXSORCHJFHIKTE-LLVKDONJSA-N 0 0 219.328 2.456 10 0 BEAERN CCOC(=O)c1ccc(OC[C@H](O)CC)cc1 ZINC000071777333 134932380 /nfs/dbraw/zinc/93/23/80/134932380.db2.gz DTRIBEPATDWLHV-LLVKDONJSA-N 0 0 238.283 2.013 10 0 BEAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000246905944 134964477 /nfs/dbraw/zinc/96/44/77/134964477.db2.gz NOPWBMHZLJPUCK-MEBFFEOJSA-N 0 0 249.354 2.203 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000248474023 135013880 /nfs/dbraw/zinc/01/38/80/135013880.db2.gz LOQNWQFWXIJHOR-WRWGMCAJSA-N 0 0 225.332 2.201 10 0 BEAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C/C=C/Cl ZINC000248856322 135024089 /nfs/dbraw/zinc/02/40/89/135024089.db2.gz REYZKIKEAIZFSI-SHJRHDGBSA-N 0 0 243.734 2.012 10 0 BEAERN O[C@H]1CCCCC[C@H]1Nc1ncncc1Cl ZINC000163642707 135026751 /nfs/dbraw/zinc/02/67/51/135026751.db2.gz HTMDSFACEMBYOT-ZJUUUORDSA-N 0 0 241.722 2.236 10 0 BEAERN C[C@H]1CCCCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000248964101 135028914 /nfs/dbraw/zinc/02/89/14/135028914.db2.gz NKBULXSWRFUUHY-SRVKXCTJSA-N 0 0 225.332 2.203 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCO[C@H]1C ZINC000249906098 135047596 /nfs/dbraw/zinc/04/75/96/135047596.db2.gz HDPFSSJNOOYKMG-BJDJZHNGSA-N 0 0 227.348 2.352 10 0 BEAERN CCCCCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077206977 135059737 /nfs/dbraw/zinc/05/97/37/135059737.db2.gz HGNHXAAGNVBMAB-VXGBXAGGSA-N 0 0 227.348 2.234 10 0 BEAERN O=C(CC1CCCC1)NC[C@H]1CCCC[C@H]1O ZINC000077205171 135059773 /nfs/dbraw/zinc/05/97/73/135059773.db2.gz LEMVXMVUJZLFMR-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000251369791 135069024 /nfs/dbraw/zinc/06/90/24/135069024.db2.gz UKOYICLDYAQKSX-HBNTYKKESA-N 0 0 213.321 2.106 10 0 BEAERN Cc1c(C[NH2+]C2C(C)(C)C2(C)C)cnn1C ZINC000086552189 135089470 /nfs/dbraw/zinc/08/94/70/135089470.db2.gz HLFLUOWSEGGRDP-UHFFFAOYSA-N 0 0 221.348 2.253 10 0 BEAERN CCCC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000252660554 135093731 /nfs/dbraw/zinc/09/37/31/135093731.db2.gz AGEKQSOBLQJZEL-CHWSQXEVSA-N 0 0 210.365 2.345 10 0 BEAERN CNCc1noc(C(C2CCC2)C2CCC2)n1 ZINC000261543328 135109132 /nfs/dbraw/zinc/10/91/32/135109132.db2.gz CWFQFLJCMVVHSE-UHFFFAOYSA-N 0 0 235.331 2.473 10 0 BEAERN Cc1cscc1CNCc1ccnc(C)n1 ZINC000087309612 135122940 /nfs/dbraw/zinc/12/29/40/135122940.db2.gz QETYWVYHSQLNJJ-UHFFFAOYSA-N 0 0 233.340 2.445 10 0 BEAERN CC[C@H](C)CC(=O)N[C@H]1CCCCC[C@H]1O ZINC000253251452 135125453 /nfs/dbraw/zinc/12/54/53/135125453.db2.gz WQGUCBOOPPHFKE-SDDRHHMPSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000253281253 135125546 /nfs/dbraw/zinc/12/55/46/135125546.db2.gz WNYVBKZWWGGYTD-MROQNXINSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000253351454 135125955 /nfs/dbraw/zinc/12/59/55/135125955.db2.gz KGAIZOFHUDAVQA-MROQNXINSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@H]1CC[C@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000253353713 135126023 /nfs/dbraw/zinc/12/60/23/135126023.db2.gz WKZACNWMWDOLGT-BJDJZHNGSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@@H]1C ZINC000253352575 135126470 /nfs/dbraw/zinc/12/64/70/135126470.db2.gz ORPPJEDWCZRZIC-MROQNXINSA-N 0 0 239.359 2.306 10 0 BEAERN CCN(CC)S(=O)(=O)CCCC(F)(F)F ZINC000215040751 135218411 /nfs/dbraw/zinc/21/84/11/135218411.db2.gz JPVQRDBAXPNIKL-UHFFFAOYSA-N 0 0 247.282 2.001 10 0 BEAERN Cc1n[nH]c(C)c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000334277251 135333159 /nfs/dbraw/zinc/33/31/59/135333159.db2.gz SQQBWUDQRDDAMZ-ZIAGYGMSSA-N 0 0 249.358 2.170 10 0 BEAERN O=C(CC1CCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000079614536 135341791 /nfs/dbraw/zinc/34/17/91/135341791.db2.gz GYZUJSKEHLXWLG-OLZOCXBDSA-N 0 0 237.343 2.347 10 0 BEAERN C[C@H]1CN(C(=O)c2sccc2F)C[C@H](C)O1 ZINC000334334056 135362247 /nfs/dbraw/zinc/36/22/47/135362247.db2.gz WIFGYVVIGFWMJN-YUMQZZPRSA-N 0 0 243.303 2.137 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCC1CC1 ZINC000081007072 135385727 /nfs/dbraw/zinc/38/57/27/135385727.db2.gz ZFLAVBZXVNJIJE-HZMBPMFUSA-N 0 0 245.322 2.467 10 0 BEAERN CCn1ccnc1CS[C@@H](C)CC(=O)OC ZINC000078811822 135396067 /nfs/dbraw/zinc/39/60/67/135396067.db2.gz CLPRSWPXXKGJMH-VIFPVBQESA-N 0 0 242.344 2.088 10 0 BEAERN CCC(=O)c1ccc(O[C@@H](C)[C@@H](C)O)cc1 ZINC000087131018 135502495 /nfs/dbraw/zinc/50/24/95/135502495.db2.gz VKNPKSWJLPXBTI-ZJUUUORDSA-N 0 0 222.284 2.427 10 0 BEAERN CCC1(C(=O)N[C@H]2CCCC[C@H]2O)CCCC1 ZINC000094905314 135621450 /nfs/dbraw/zinc/62/14/50/135621450.db2.gz OHFBGZZUEPPVKS-NWDGAFQWSA-N 0 0 239.359 2.377 10 0 BEAERN CCOC(=O)c1coc(N[C@H](C)C(C)C)n1 ZINC000165849086 135668009 /nfs/dbraw/zinc/66/80/09/135668009.db2.gz KXILDQXVSPRAHN-MRVPVSSYSA-N 0 0 226.276 2.308 10 0 BEAERN O=C([C@H]1CCc2ccccc21)N1CC[C@@H](F)C1 ZINC000334842384 135820905 /nfs/dbraw/zinc/82/09/05/135820905.db2.gz SCVBRBOJQZEAGF-YPMHNXCESA-N 0 0 233.286 2.287 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CC(=O)CC1(C)C ZINC000334922069 135842220 /nfs/dbraw/zinc/84/22/20/135842220.db2.gz OBIUJIZGHGEQHQ-MWLCHTKSSA-N 0 0 223.316 2.003 10 0 BEAERN CN1C(=O)N=NC1S[C@@H]1CCC(C)(C)C1 ZINC000335295212 136005781 /nfs/dbraw/zinc/00/57/81/136005781.db2.gz FUEPLNPRPAHGKC-SSDOTTSWSA-N 0 0 227.333 2.192 10 0 BEAERN CN1C(=O)N=NC1S[C@H]1CCC(C)(C)C1 ZINC000335295214 136005798 /nfs/dbraw/zinc/00/57/98/136005798.db2.gz FUEPLNPRPAHGKC-ZETCQYMHSA-N 0 0 227.333 2.192 10 0 BEAERN Cc1nc(C)c(C(=O)N2C[C@H]3CCC[C@H]32)s1 ZINC000335329627 136053411 /nfs/dbraw/zinc/05/34/11/136053411.db2.gz YAJFJBRRCJWTRH-NXEZZACHSA-N 0 0 236.340 2.384 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CC2CC(C)(C)C2)C1 ZINC000335384631 136088701 /nfs/dbraw/zinc/08/87/01/136088701.db2.gz KZSAYRHZTSBWIG-ZYHUDNBSSA-N 0 0 239.359 2.042 10 0 BEAERN O=C(Cc1ccccc1)N1CCn2cccc2C1 ZINC000062139558 1172741741 /nfs/dbraw/zinc/74/17/41/1172741741.db2.gz KFGDPKAANKRPQJ-UHFFFAOYSA-N 0 0 240.306 2.073 10 0 BEAERN CC(C)CN(C(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000128650736 166927819 /nfs/dbraw/zinc/92/78/19/166927819.db2.gz RQSVILBDZOKEHZ-PWSUYJOCSA-N 0 0 225.332 2.201 10 0 BEAERN COC[C@H](C)C(=O)NC1(C)CCC(C)CC1 ZINC000103389962 397779339 /nfs/dbraw/zinc/77/93/39/397779339.db2.gz FHWCBDIXTHMUKK-AKJDGMEZSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)c2ccc(C)o2)n(C)n1 ZINC000128302888 397794034 /nfs/dbraw/zinc/79/40/34/397794034.db2.gz CUXKGXTZFYSRSN-SNVBAGLBSA-N 0 0 247.298 2.121 10 0 BEAERN CCC(CC)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178300328 397845722 /nfs/dbraw/zinc/84/57/22/397845722.db2.gz VYKMEDLZKVCBHD-KGLIPLIRSA-N 0 0 247.338 2.197 10 0 BEAERN CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000188432623 397883410 /nfs/dbraw/zinc/88/34/10/397883410.db2.gz XJYCZAJIELQBNO-SDBXPKJASA-N 0 0 246.310 2.092 10 0 BEAERN Cc1nc(-c2ccccn2)sc1C=O ZINC000020443971 397964792 /nfs/dbraw/zinc/96/47/92/397964792.db2.gz GVYAXMFIVRMLKQ-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CC[N@@H+]1CCO[C@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616687314 397929689 /nfs/dbraw/zinc/92/96/89/397929689.db2.gz UHHXDRHTQCQSEG-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN O=Cc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238527254 397935673 /nfs/dbraw/zinc/93/56/73/397935673.db2.gz PALNSQGRLMERPU-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN CC1(c2ccc([Si](C)(C)C)cc2)OCCO1 ZINC000195955762 397941513 /nfs/dbraw/zinc/94/15/13/397941513.db2.gz XQYQUNNQSOAJQY-UHFFFAOYSA-N 0 0 236.387 2.451 10 0 BEAERN Clc1cc(NC2CSC2)c(Cl)nn1 ZINC000575472181 397954218 /nfs/dbraw/zinc/95/42/18/397954218.db2.gz FOBWKVPTUPZJSK-UHFFFAOYSA-N 0 0 236.127 2.311 10 0 BEAERN Cc1nc2c(NC(=O)CCC(C)C)cccn2n1 ZINC000065283518 397961128 /nfs/dbraw/zinc/96/11/28/397961128.db2.gz XALNLUIKBAVZBB-UHFFFAOYSA-N 0 0 246.314 2.412 10 0 BEAERN CCn1c(C)nnc1CN(CC(C)C)C1CC1 ZINC000195060680 397899828 /nfs/dbraw/zinc/89/98/28/397899828.db2.gz ROVRDFCSPIIJAK-UHFFFAOYSA-N 0 0 236.363 2.227 10 0 BEAERN CO[C@H](c1nccnc1Cl)C(C)C ZINC000306866224 397921989 /nfs/dbraw/zinc/92/19/89/397921989.db2.gz NRZHCNSMVUBCAU-QMMMGPOBSA-N 0 0 200.669 2.474 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000117202346 397924509 /nfs/dbraw/zinc/92/45/09/397924509.db2.gz SVUNZIFTVNSKFX-NEPJUHHUSA-N 0 0 227.348 2.306 10 0 BEAERN O=Cc1ccc(-c2ncccn2)cc1F ZINC000020446436 397964655 /nfs/dbraw/zinc/96/46/55/397964655.db2.gz UPCCKZGEKVVLHM-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN Cc1csc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000293614557 398002839 /nfs/dbraw/zinc/00/28/39/398002839.db2.gz DZTBCZVLIKPARV-UWVGGRQHSA-N 0 0 239.340 2.354 10 0 BEAERN Clc1nsnc1N1C[C@H]2CC[C@@H]2C1 ZINC000575595877 398007139 /nfs/dbraw/zinc/00/71/39/398007139.db2.gz AIXBSDOXJMULFA-PHDIDXHHSA-N 0 0 215.709 2.038 10 0 BEAERN CC(C)(C)Oc1nc(F)ncc1Cl ZINC000575597283 398011341 /nfs/dbraw/zinc/01/13/41/398011341.db2.gz VXAGTIJBBNPLJR-UHFFFAOYSA-N 0 0 204.632 2.446 10 0 BEAERN CCSc1nc(F)ncc1Br ZINC000575599391 398019001 /nfs/dbraw/zinc/01/90/01/398019001.db2.gz NACUWNMCVFEHAV-UHFFFAOYSA-N 0 0 237.097 2.490 10 0 BEAERN CN[C@H](C)c1nc(Cc2cccs2)no1 ZINC000054053382 398019596 /nfs/dbraw/zinc/01/95/96/398019596.db2.gz LDSOYGLHRKPLLO-SSDOTTSWSA-N 0 0 223.301 2.002 10 0 BEAERN CC(=O)Nc1ccc2c(c1)C(=O)CCS2 ZINC000039040287 398026560 /nfs/dbraw/zinc/02/65/60/398026560.db2.gz XFKLANBYXQTVOX-UHFFFAOYSA-N 0 0 221.281 2.324 10 0 BEAERN CCOc1cc(OC(F)F)cc(O)c1C=O ZINC000575657236 398039830 /nfs/dbraw/zinc/03/98/30/398039830.db2.gz RGFHFHQQVYMUNO-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COC(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000011847642 397971032 /nfs/dbraw/zinc/97/10/32/397971032.db2.gz OCRHXRWWSZGOQU-UHFFFAOYSA-N 0 0 217.224 2.035 10 0 BEAERN COC(=O)c1csc(-c2cnc(C)s2)n1 ZINC000259629591 397973609 /nfs/dbraw/zinc/97/36/09/397973609.db2.gz HEZZPIUCPBLWTE-UHFFFAOYSA-N 0 0 240.309 2.362 10 0 BEAERN CCn1ccnc1-c1ccsc1C=O ZINC000616571371 397982996 /nfs/dbraw/zinc/98/29/96/397982996.db2.gz CVUKZIMVVNLMOK-UHFFFAOYSA-N 0 0 206.270 2.444 10 0 BEAERN O=C1CCCC[C@H](Cc2csnn2)C1 ZINC000307126976 397983964 /nfs/dbraw/zinc/98/39/64/397983964.db2.gz BYPKDAXNNXQFKK-MRVPVSSYSA-N 0 0 210.302 2.230 10 0 BEAERN OC[C@@]1(Cc2cncs2)CC=CCC1 ZINC000307298164 398065096 /nfs/dbraw/zinc/06/50/96/398065096.db2.gz UACDZDYXPQERTB-NSHDSACASA-N 0 0 209.314 2.404 10 0 BEAERN CCOC(=O)Cc1c(F)c(F)cc(OC)c1F ZINC000260475082 398093193 /nfs/dbraw/zinc/09/31/93/398093193.db2.gz SVHJMWLAXVBTCP-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN CCOC(=O)c1c(N)ccc(O)c1C(F)(F)F ZINC000575724574 398068671 /nfs/dbraw/zinc/06/86/71/398068671.db2.gz JXUIPZKNBHBRTQ-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN C[C@H](C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000584593992 398077166 /nfs/dbraw/zinc/07/71/66/398077166.db2.gz NMZRFEAJLDMIDB-NSHDSACASA-N 0 0 232.327 2.266 10 0 BEAERN CCO[C@](O)(c1ccccc1)C(F)(F)F ZINC000584613982 398077924 /nfs/dbraw/zinc/07/79/24/398077924.db2.gz SLSJTRPOSLQIMF-SECBINFHSA-N 0 0 220.190 2.431 10 0 BEAERN C[C@@](O)(Cc1ccccc1)C(=O)C(F)(F)F ZINC000584614089 398078061 /nfs/dbraw/zinc/07/80/61/398078061.db2.gz YHNAJEMEZQIMEO-SNVBAGLBSA-N 0 0 232.201 2.112 10 0 BEAERN CCc1ccc(-c2ccc(C)c[n+]2[O-])o1 ZINC000584623288 398079122 /nfs/dbraw/zinc/07/91/22/398079122.db2.gz KLSMKRHWOOYSDC-UHFFFAOYSA-N 0 0 203.241 2.451 10 0 BEAERN CC(C)Oc1cc2c(O)cccc2cc1C(N)=O ZINC000584626009 398079623 /nfs/dbraw/zinc/07/96/23/398079623.db2.gz BARXLWCHWRCNLA-UHFFFAOYSA-N 0 0 245.278 2.432 10 0 BEAERN CCOc1cc(Cl)c(F)cc1CO ZINC000584647895 398080774 /nfs/dbraw/zinc/08/07/74/398080774.db2.gz PISRYGDINWOIGD-UHFFFAOYSA-N 0 0 204.628 2.370 10 0 BEAERN CCC/C=C1\CN(C(=O)OC(C)(C)C)C1=O ZINC000584658145 398081928 /nfs/dbraw/zinc/08/19/28/398081928.db2.gz INNYJNFLNVDVAU-VQHVLOKHSA-N 0 0 225.288 2.490 10 0 BEAERN CCOc1c(F)c(CO)ccc1OC(F)F ZINC000575656311 398051918 /nfs/dbraw/zinc/05/19/18/398051918.db2.gz NPGRWIXWYPQTKF-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Cc1c(F)ccc(CO)c1OC(F)F ZINC000575661613 398054686 /nfs/dbraw/zinc/05/46/86/398054686.db2.gz QMKGLOWQLNIBHZ-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCOc1cc(C(N)=O)cc(CC)c1C ZINC000575697534 398057944 /nfs/dbraw/zinc/05/79/44/398057944.db2.gz YBXXIXNSJVLOGT-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C)O2)c(C)c1 ZINC000128960858 398098960 /nfs/dbraw/zinc/09/89/60/398098960.db2.gz CJKCTFLAJHQZBR-TZMCWYRMSA-N 0 0 247.338 2.487 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1C ZINC000133658944 398100755 /nfs/dbraw/zinc/10/07/55/398100755.db2.gz BQVICHOELVLBRW-RYUDHWBXSA-N 0 0 235.327 2.050 10 0 BEAERN CCc1ccc(O[C@@H](C)C(=O)NC2CC2)cc1 ZINC000070236183 398128467 /nfs/dbraw/zinc/12/84/67/398128467.db2.gz DAYQUBBAWJWJGN-JTQLQIEISA-N 0 0 233.311 2.295 10 0 BEAERN Nc1cc(F)ccc1C(=O)Nc1cccc(O)c1 ZINC000062822896 1172783587 /nfs/dbraw/zinc/78/35/87/1172783587.db2.gz WYGDSPCDRQCTLZ-UHFFFAOYSA-N 0 0 246.241 2.366 10 0 BEAERN CN(Cc1ccoc1)C(=O)c1ccc(F)cc1N ZINC000062823243 1172784039 /nfs/dbraw/zinc/78/40/39/1172784039.db2.gz GNSBTBLFYXKDGN-UHFFFAOYSA-N 0 0 248.257 2.273 10 0 BEAERN CC(C)NC(=O)CSc1ccc(F)cc1N ZINC000037195211 167063627 /nfs/dbraw/zinc/06/36/27/167063627.db2.gz NJNXFLUOVBGBFY-UHFFFAOYSA-N 0 0 242.319 2.025 10 0 BEAERN CC(C)[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446547 167135961 /nfs/dbraw/zinc/13/59/61/167135961.db2.gz AOXNPWVVRFMJIO-GFCCVEGCSA-N 0 0 240.734 2.039 10 0 BEAERN CC(C)OC(=O)NC[C@@H](C)c1nccs1 ZINC000232685191 167164071 /nfs/dbraw/zinc/16/40/71/167164071.db2.gz PTTMNMJWKJVIGT-MRVPVSSYSA-N 0 0 228.317 2.381 10 0 BEAERN O=C(CCc1ccccc1)NCC[C@H]1CCCO1 ZINC000058667199 487564820 /nfs/dbraw/zinc/56/48/20/487564820.db2.gz OLLSGLQLMZALOF-CQSZACIVSA-N 0 0 247.338 2.305 10 0 BEAERN O=C(NCC[C@H]1CCCO1)c1cccc(F)c1 ZINC000058667205 487565314 /nfs/dbraw/zinc/56/53/14/487565314.db2.gz QWYDYIGHWXHWHM-GFCCVEGCSA-N 0 0 237.274 2.125 10 0 BEAERN CC(C)OCCN1CCc2cc(N)ccc21 ZINC000049259824 167234521 /nfs/dbraw/zinc/23/45/21/167234521.db2.gz AKBSGMRYPKUWGD-UHFFFAOYSA-N 0 0 220.316 2.056 10 0 BEAERN CC(C)O[C@@H](C)C1(C)COC(C)OC1 ZINC000002016879 167280734 /nfs/dbraw/zinc/28/07/34/167280734.db2.gz PNLAHFVUUHRTLK-WHXUTIOJSA-N 0 0 202.294 2.199 10 0 BEAERN CC[C@H]1CC[C@H](C)N1C(=O)c1ncccc1N ZINC000132857889 409958345 /nfs/dbraw/zinc/95/83/45/409958345.db2.gz ZDLHJSUFKNMBDZ-UWVGGRQHSA-N 0 0 233.315 2.067 10 0 BEAERN Brc1cc(-n2cccc2)ncn1 ZINC000072192646 166096391 /nfs/dbraw/zinc/09/63/91/166096391.db2.gz PRQFJEBALCYJRR-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cc(C2CCOCC2)ncn1 ZINC000072193223 166096410 /nfs/dbraw/zinc/09/64/10/166096410.db2.gz JKOJLWSAKSFRED-UHFFFAOYSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1cccc([C@@H]2CCOC2)n1 ZINC000044121921 166100885 /nfs/dbraw/zinc/10/08/85/166100885.db2.gz CVZVBHZEUCVHTN-SSDOTTSWSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1cncc(Cn2ccnc2)c1 ZINC000132741571 166104743 /nfs/dbraw/zinc/10/47/43/166104743.db2.gz GVNHZVZUOBDVAJ-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN Brc1ccnc(-n2cccn2)c1 ZINC000044118418 166102808 /nfs/dbraw/zinc/10/28/08/166102808.db2.gz AVRRINUBVDRHNB-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1ccccc1[C@@H]1NCCCO1 ZINC000071551260 166102979 /nfs/dbraw/zinc/10/29/79/166102979.db2.gz ZDSXZAHXFVSDEM-SNVBAGLBSA-N 0 0 242.116 2.458 10 0 BEAERN Brc1cn(-c2cccnc2)cn1 ZINC000072193508 166105031 /nfs/dbraw/zinc/10/50/31/166105031.db2.gz JNVODTIZVDWRIB-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN CCN(CC)C(=O)C(C)(C)c1ccc(N)cc1 ZINC000082697352 169745496 /nfs/dbraw/zinc/74/54/96/169745496.db2.gz HWTPFIRCRXASHT-UHFFFAOYSA-N 0 0 234.343 2.415 10 0 BEAERN CCCc1nccnc1NC[C@H]1CC[C@H](C)O1 ZINC000663995769 410422536 /nfs/dbraw/zinc/42/25/36/410422536.db2.gz MVJMJRNLTQYQGF-WDEREUQCSA-N 0 0 235.331 2.409 10 0 BEAERN CC(=O)c1ccccc1NC(=O)[C@H]1OCC[C@H]1C ZINC000151958535 166481435 /nfs/dbraw/zinc/48/14/35/166481435.db2.gz UIJXQVASVPRIST-RNCFNFMXSA-N 0 0 247.294 2.253 10 0 BEAERN CC(=O)c1ccccc1C(=O)N[C@H]1C[C@@H]1C ZINC000073328425 166481606 /nfs/dbraw/zinc/48/16/06/166481606.db2.gz DFZCOZUUNHHFFJ-UFBFGSQYSA-N 0 0 217.268 2.027 10 0 BEAERN O=C(CC1CC1)NC[C@@H]1Cc2ccccc2CO1 ZINC000219817638 410557340 /nfs/dbraw/zinc/55/73/40/410557340.db2.gz KRFVPAYAPQRXJA-AWEZNQCLSA-N 0 0 245.322 2.044 10 0 BEAERN CC(C)(C)CNC1N=NC(=S)S1 ZINC000040494695 166593536 /nfs/dbraw/zinc/59/35/36/166593536.db2.gz PFMHYJGRYMYUPO-UHFFFAOYSA-N 0 0 203.336 2.285 10 0 BEAERN CC(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000027692550 166724182 /nfs/dbraw/zinc/72/41/82/166724182.db2.gz NVZGFLBDSCUCDG-VIFPVBQESA-N 0 0 235.283 2.249 10 0 BEAERN CC(C)CN(C(=O)[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000128650954 166926315 /nfs/dbraw/zinc/92/63/15/166926315.db2.gz RQSVILBDZOKEHZ-JQWIXIFHSA-N 0 0 225.332 2.201 10 0 BEAERN CC(C)C[N@@H+]1CC[C@H](CC(=O)[O-])[C@@H](C)C1 ZINC000073654383 166976350 /nfs/dbraw/zinc/97/63/50/166976350.db2.gz YMFBJRADPJLNIL-WDEREUQCSA-N 0 0 213.321 2.075 10 0 BEAERN CC(C)CNC(=O)c1cc(N)cn1C(C)C ZINC000036860891 166996947 /nfs/dbraw/zinc/99/69/47/166996947.db2.gz NIPLUPSERYNXLY-UHFFFAOYSA-N 0 0 223.320 2.037 10 0 BEAERN CC(C)CNC(=S)NC(=O)C1CCCCC1 ZINC000040859307 167000725 /nfs/dbraw/zinc/00/07/25/167000725.db2.gz RVXOHKAQNBTSBH-UHFFFAOYSA-N 0 0 242.388 2.213 10 0 BEAERN CC(C)CNc1ccc(-n2cc[nH]c2=O)cc1 ZINC000037781435 167016893 /nfs/dbraw/zinc/01/68/93/167016893.db2.gz LCCKMRPCHONVNI-UHFFFAOYSA-N 0 0 231.299 2.234 10 0 BEAERN CC(C)NC(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000368451332 167072233 /nfs/dbraw/zinc/07/22/33/167072233.db2.gz RFHMGZDZMXCHKT-WDEREUQCSA-N 0 0 210.321 2.369 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1ccc(N(C)C)cc1 ZINC000035164420 167081428 /nfs/dbraw/zinc/08/14/28/167081428.db2.gz HBNHGXQHXXOHGP-LLVKDONJSA-N 0 0 249.358 2.078 10 0 BEAERN CC(C)[NH2+]C1(C(=O)[O-])C2CC3CC(C2)CC1C3 ZINC000055026613 167092606 /nfs/dbraw/zinc/09/26/06/167092606.db2.gz BHYCCGJVQPVOQU-UHFFFAOYSA-N 0 0 237.343 2.264 10 0 BEAERN CC(C)Nc1cc(C(F)(F)F)nn1C ZINC000095088378 167145201 /nfs/dbraw/zinc/14/52/01/167145201.db2.gz VREKZEYCKKIFNH-UHFFFAOYSA-N 0 0 207.199 2.259 10 0 BEAERN CC(C)N[C@@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869413 167131006 /nfs/dbraw/zinc/13/10/06/167131006.db2.gz VSYZJLXMDLWBSH-SNVBAGLBSA-N 0 0 244.697 2.004 10 0 BEAERN CC(C)[NH2+][C@@H](CC1CCCCC1)C(=O)[O-] ZINC000077305866 167132436 /nfs/dbraw/zinc/13/24/36/167132436.db2.gz JMIBSRSIPOELQH-NSHDSACASA-N 0 0 213.321 2.408 10 0 BEAERN CC(C)[NH2+][C@@](C)(C(=O)[O-])c1cccc(F)c1 ZINC000037183086 167136020 /nfs/dbraw/zinc/13/60/20/167136020.db2.gz XGHFXDBURHYTBO-GFCCVEGCSA-N 0 0 225.263 2.124 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1c(F)cccc1F ZINC000038115543 167137372 /nfs/dbraw/zinc/13/73/72/167137372.db2.gz PWAVBQYFACTEQI-LBPRGKRZSA-N 0 0 229.270 2.170 10 0 BEAERN CC(C)Nc1ncc(Br)cc1N ZINC000036226289 167149472 /nfs/dbraw/zinc/14/94/72/167149472.db2.gz HFTXTWKGJXTWBM-UHFFFAOYSA-N 0 0 230.109 2.247 10 0 BEAERN CC(C)Nc1ncnc(Nc2cccnc2)c1N ZINC000040708123 167151437 /nfs/dbraw/zinc/15/14/37/167151437.db2.gz DLVQOMDWGBOPII-UHFFFAOYSA-N 0 0 244.302 2.018 10 0 BEAERN CC(C)OC(=O)N(C)CCc1nccs1 ZINC000295044018 167162400 /nfs/dbraw/zinc/16/24/00/167162400.db2.gz APLQPEKPHXSHGX-UHFFFAOYSA-N 0 0 228.317 2.162 10 0 BEAERN CC(C)OC(=O)NC[C@H](C)c1nccs1 ZINC000232685813 167164429 /nfs/dbraw/zinc/16/44/29/167164429.db2.gz PTTMNMJWKJVIGT-QMMMGPOBSA-N 0 0 228.317 2.381 10 0 BEAERN CC(C)OC(=O)Oc1ccc(C=O)cc1 ZINC000116808400 167165232 /nfs/dbraw/zinc/16/52/32/167165232.db2.gz VWFREGQXICGXSC-UHFFFAOYSA-N 0 0 208.213 2.423 10 0 BEAERN CC(C)OC(=O)c1c(N)c(F)cc(F)c1F ZINC000061094438 167172887 /nfs/dbraw/zinc/17/28/87/167172887.db2.gz DBVASRNRMUUEDA-UHFFFAOYSA-N 0 0 233.189 2.251 10 0 BEAERN CC(C)OCCOc1cccc2c1CC[C@@H]2O ZINC000062800714 167249649 /nfs/dbraw/zinc/24/96/49/167249649.db2.gz BAPYAVVOELYLAF-ZDUSSCGKSA-N 0 0 236.311 2.470 10 0 BEAERN CC(C)O[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000054036107 167282894 /nfs/dbraw/zinc/28/28/94/167282894.db2.gz KBDVQJPXJNWDGI-MRVPVSSYSA-N 0 0 240.278 2.160 10 0 BEAERN CC(C)Oc1cc(-n2ccnc2)c(N)cc1F ZINC000104127769 167284950 /nfs/dbraw/zinc/28/49/50/167284950.db2.gz NSOIABUCDZYDPO-UHFFFAOYSA-N 0 0 235.262 2.381 10 0 BEAERN CC(C)Oc1cc(N[C@@H]2C[C@@H]2C)ncn1 ZINC000085485769 167287233 /nfs/dbraw/zinc/28/72/33/167287233.db2.gz DXZQWDZVIGGYLJ-DTWKUNHWSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1ccc(C(=O)c2cncnc2)cc1 ZINC000045028831 167292986 /nfs/dbraw/zinc/29/29/86/167292986.db2.gz VRRBMJWYWGWHLX-UHFFFAOYSA-N 0 0 242.278 2.495 10 0 BEAERN CC(C)Oc1ccc(OC2CC2)c(C=O)n1 ZINC000095741701 167296872 /nfs/dbraw/zinc/29/68/72/167296872.db2.gz HVHCYNFCNVDENH-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1ccc([C@@H](C(=O)[O-])[NH+](C)C)cc1 ZINC000037742909 167300144 /nfs/dbraw/zinc/30/01/44/167300144.db2.gz ODZQNVNBHNUHDW-LBPRGKRZSA-N 0 0 237.299 2.161 10 0 BEAERN CC(C)Oc1ccc2c(c1)occ(C=O)c2=O ZINC000033495228 167302031 /nfs/dbraw/zinc/30/20/31/167302031.db2.gz ZDIKLWOBRUSSKX-UHFFFAOYSA-N 0 0 232.235 2.393 10 0 BEAERN CC(C)Oc1cccc(C(=O)n2ccnc2)c1 ZINC000073711196 167304633 /nfs/dbraw/zinc/30/46/33/167304633.db2.gz WYQGSWOBNJAWML-UHFFFAOYSA-N 0 0 230.267 2.359 10 0 BEAERN CC(C)Oc1nccc(C=O)c1OC1CC1 ZINC000095720003 167314228 /nfs/dbraw/zinc/31/42/28/167314228.db2.gz VNLPCOGMSIEVCX-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1ncnc(Oc2cccnc2)c1N ZINC000040795877 167315913 /nfs/dbraw/zinc/31/59/13/167315913.db2.gz MKQBRLNACKKHOS-UHFFFAOYSA-N 0 0 246.270 2.033 10 0 BEAERN CC(C)Sc1nnnn1Cc1ccccc1 ZINC000048396138 167338396 /nfs/dbraw/zinc/33/83/96/167338396.db2.gz IJRLEZVNQXXZQQ-UHFFFAOYSA-N 0 0 234.328 2.222 10 0 BEAERN CC(C)Sc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000005155039 167339540 /nfs/dbraw/zinc/33/95/40/167339540.db2.gz IWSSOGQYZVKMGF-UHFFFAOYSA-N 0 0 238.234 2.289 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H]1CC1(Cl)Cl ZINC000097039099 167376510 /nfs/dbraw/zinc/37/65/10/167376510.db2.gz LRHFFPCNTKALLT-RQJHMYQMSA-N 0 0 224.131 2.341 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000248293871 167376950 /nfs/dbraw/zinc/37/69/50/167376950.db2.gz VPQVFLWWPVDMBD-YPMHNXCESA-N 0 0 247.338 2.398 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000136573077 167379239 /nfs/dbraw/zinc/37/92/39/167379239.db2.gz PTOGCZZKTLGSJF-BXUZGUMPSA-N 0 0 247.338 2.461 10 0 BEAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cnccn1 ZINC000103056945 167468041 /nfs/dbraw/zinc/46/80/41/167468041.db2.gz YVJYJDIAZBWSRL-NWDGAFQWSA-N 0 0 247.342 2.421 10 0 BEAERN CC(C)[C@]1(C)Nc2c(O)cccc2OC1=O ZINC000021997722 167543771 /nfs/dbraw/zinc/54/37/71/167543771.db2.gz JJDVCBQJRNHNGO-LBPRGKRZSA-N 0 0 221.256 2.138 10 0 BEAERN CC(C)c1cc(C(=O)N[C@@H](C)C(C)C)nn1C ZINC000081812592 167565262 /nfs/dbraw/zinc/56/52/62/167565262.db2.gz VTQIUAHCCVKVCS-JTQLQIEISA-N 0 0 237.347 2.318 10 0 BEAERN CC(C)c1ccc([C@@](C)([NH3+])CC(=O)[O-])cc1 ZINC000057951971 167617602 /nfs/dbraw/zinc/61/76/02/167617602.db2.gz LYHSVPXIEQUJRL-ZDUSSCGKSA-N 0 0 221.300 2.459 10 0 BEAERN CN(CC1CCOCC1)c1ccccc1CO ZINC000111165396 411146572 /nfs/dbraw/zinc/14/65/72/411146572.db2.gz SRGROPCOHCJKBN-UHFFFAOYSA-N 0 0 235.327 2.042 10 0 BEAERN COC(=O)c1ccc2cc(C=O)ccc2c1 ZINC000075623450 411146963 /nfs/dbraw/zinc/14/69/63/411146963.db2.gz RHOUYXUGJXVYJF-UHFFFAOYSA-N 0 0 214.220 2.439 10 0 BEAERN CC(C)c1nc(CC[NH+](C)C)sc1C(=O)[O-] ZINC000062492803 167659675 /nfs/dbraw/zinc/65/96/75/167659675.db2.gz QIGBXNCEASMWIJ-UHFFFAOYSA-N 0 0 242.344 2.069 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)C/C=C\c1ccccc1 ZINC000217716472 411154985 /nfs/dbraw/zinc/15/49/85/411154985.db2.gz SBNDXVUDCFWPBM-PGJNLMOESA-N 0 0 233.311 2.495 10 0 BEAERN CNc1nc([C@H]2SCCS[C@@H]2C)no1 ZINC000228182541 411182812 /nfs/dbraw/zinc/18/28/12/411182812.db2.gz LZUPRFKGYISCHX-RITPCOANSA-N 0 0 231.346 2.021 10 0 BEAERN CC(C)n1cc(N[C@H]2CCSC2)cn1 ZINC000061682435 167754499 /nfs/dbraw/zinc/75/44/99/167754499.db2.gz CNIPCEDVYVGXJS-VIFPVBQESA-N 0 0 211.334 2.381 10 0 BEAERN CC[NH+](CC)c1ccc(NCCC(=O)[O-])cc1 ZINC000058475964 169804199 /nfs/dbraw/zinc/80/41/99/169804199.db2.gz ZJRRCXFXJISWGF-UHFFFAOYSA-N 0 0 236.315 2.419 10 0 BEAERN CCOCCCNC(=O)N[C@H](C)C(C)(C)C ZINC000112431339 411208095 /nfs/dbraw/zinc/20/80/95/411208095.db2.gz IZYAPCNRXCFQGV-SNVBAGLBSA-N 0 0 230.352 2.147 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)Cc1cscn1 ZINC000049050059 411224315 /nfs/dbraw/zinc/22/43/15/411224315.db2.gz BMXUWVUPWZRTKO-VIFPVBQESA-N 0 0 241.360 2.329 10 0 BEAERN CCc1cc(NC(=O)C2CCCCC2)n[nH]1 ZINC000049138867 411225990 /nfs/dbraw/zinc/22/59/90/411225990.db2.gz PKYDSYJSGNJJLG-UHFFFAOYSA-N 0 0 221.304 2.491 10 0 BEAERN CCc1cc(NC(=O)Cc2ccsc2)n[nH]1 ZINC000049138967 411226128 /nfs/dbraw/zinc/22/61/28/411226128.db2.gz HEBZWZOIYSNGMY-UHFFFAOYSA-N 0 0 235.312 2.215 10 0 BEAERN CCc1cc(NC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC000049139094 411226980 /nfs/dbraw/zinc/22/69/80/411226980.db2.gz CUGGDDIKVVNKDJ-SECBINFHSA-N 0 0 219.288 2.267 10 0 BEAERN Cc1cccc(CNC(=O)N2CCCC[C@H]2C)n1 ZINC000049339978 411230560 /nfs/dbraw/zinc/23/05/60/411230560.db2.gz UWFHUQOKJUPNST-GFCCVEGCSA-N 0 0 247.342 2.474 10 0 BEAERN CCN(C(=O)Nc1nncs1)[C@H](C)C(C)C ZINC000049395702 411232104 /nfs/dbraw/zinc/23/21/04/411232104.db2.gz UZTSVFZEQJCRMD-MRVPVSSYSA-N 0 0 242.348 2.436 10 0 BEAERN Cc1ccc2cnn(C(C)C)c(=O)c2c1 ZINC000536958868 411266121 /nfs/dbraw/zinc/26/61/21/411266121.db2.gz LHSWQFIUPUNUIW-UHFFFAOYSA-N 0 0 202.257 2.286 10 0 BEAERN CCN(CC)c1nc2c(s1)NCCC2 ZINC000536959190 411266168 /nfs/dbraw/zinc/26/61/68/411266168.db2.gz PLZJXCIQGOPTQF-UHFFFAOYSA-N 0 0 211.334 2.347 10 0 BEAERN CCC[C@@H](C)C[N@@H+](CC(=O)[O-])CC1CC1 ZINC000051322564 411271837 /nfs/dbraw/zinc/27/18/37/411271837.db2.gz TUCGCGDEPZZLML-SNVBAGLBSA-N 0 0 213.321 2.219 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCCC1(C)C ZINC000324473652 167906785 /nfs/dbraw/zinc/90/67/85/167906785.db2.gz HOBNGBOBZHPSAM-MNOVXSKESA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cc(C(C)C)nc(N2CC[C@H](CCO)C2)n1 ZINC000124204768 411317653 /nfs/dbraw/zinc/31/76/53/411317653.db2.gz FHQBSZOJZBVPTE-GFCCVEGCSA-N 0 0 249.358 2.117 10 0 BEAERN CC1(C)[C@H]2CC[C@]1(C)c1nc3nonc3nc12 ZINC000000256502 168010919 /nfs/dbraw/zinc/01/09/19/168010919.db2.gz WSOVHQNWNIBXED-PWCHPLFNSA-N 0 0 230.271 2.188 10 0 BEAERN CC1(C)[C@H](Nc2ccccn2)[C@@H]2CCO[C@@H]21 ZINC000301382567 168014543 /nfs/dbraw/zinc/01/45/43/168014543.db2.gz ZISIKFNTFAFALA-WCQGTBRESA-N 0 0 218.300 2.307 10 0 BEAERN CC1(CCn2ccnc2)SCCS1 ZINC000039109577 168022888 /nfs/dbraw/zinc/02/28/88/168022888.db2.gz QBMIGWRHWBBBQF-UHFFFAOYSA-N 0 0 214.359 2.469 10 0 BEAERN CC1(CNC(=O)CC2=CCCCC2)COC1 ZINC000112621791 168027812 /nfs/dbraw/zinc/02/78/12/168027812.db2.gz VOGQNMCXBXKCKF-UHFFFAOYSA-N 0 0 223.316 2.030 10 0 BEAERN CC1(CNc2ncccc2C(N)=O)CCCC1 ZINC000104448531 168050092 /nfs/dbraw/zinc/05/00/92/168050092.db2.gz DSTLZPLQKFMGGW-UHFFFAOYSA-N 0 0 233.315 2.173 10 0 BEAERN CC1=C(C(=O)N2C[C@H]3CCC[C@@H]32)CCC1 ZINC000336317910 168076465 /nfs/dbraw/zinc/07/64/65/168076465.db2.gz PGECLXGTFWGBLZ-PWSUYJOCSA-N 0 0 205.301 2.498 10 0 BEAERN CC1=C(C(=O)N2[C@H](C)COC[C@H]2C)CCC1 ZINC000336550241 168076782 /nfs/dbraw/zinc/07/67/82/168076782.db2.gz LVONQIPYTAMHMG-GHMZBOCLSA-N 0 0 223.316 2.123 10 0 BEAERN C[C@@H](NC(=O)c1cncc(F)c1)C(C)(C)C ZINC000129719951 411378037 /nfs/dbraw/zinc/37/80/37/411378037.db2.gz CKZMACLGJPBNGQ-MRVPVSSYSA-N 0 0 224.279 2.385 10 0 BEAERN CC1=CC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000036962516 168092161 /nfs/dbraw/zinc/09/21/61/168092161.db2.gz ZWYILCUMOLYGSS-UHFFFAOYSA-N 0 0 229.279 2.431 10 0 BEAERN CC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)O1 ZINC000003160098 168133036 /nfs/dbraw/zinc/13/30/36/168133036.db2.gz VOESNMFSVRKYQW-WUXMJOGZSA-N 0 0 226.235 2.484 10 0 BEAERN CC1=N/C(=C\c2ccc(F)cc2F)C(=O)O1 ZINC000022002444 168133142 /nfs/dbraw/zinc/13/31/42/168133142.db2.gz OMPNCCVEPLPBEJ-WMZJFQQLSA-N 0 0 223.178 2.281 10 0 BEAERN CCOc1cc(C=O)cc(OC(F)F)c1C#N ZINC000575639568 411381717 /nfs/dbraw/zinc/38/17/17/411381717.db2.gz SBFBLKQOIMLCQS-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCc1cc(OC(F)F)c(CO)cc1C#N ZINC000575639066 411381948 /nfs/dbraw/zinc/38/19/48/411381948.db2.gz CRUMQICDLAWWSR-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN CCC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000105851263 168218549 /nfs/dbraw/zinc/21/85/49/168218549.db2.gz ZVICIUSWNGQNAR-LLVKDONJSA-N 0 0 235.331 2.019 10 0 BEAERN CCC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000041423769 168227242 /nfs/dbraw/zinc/22/72/42/168227242.db2.gz WCVHUPSRFFXLDA-YPMHNXCESA-N 0 0 233.311 2.385 10 0 BEAERN CCC(=O)N[C@@H]1CCC(=O)c2ccccc21 ZINC000040834271 168238034 /nfs/dbraw/zinc/23/80/34/168238034.db2.gz RLOCUJGVHXZSFK-LLVKDONJSA-N 0 0 217.268 2.230 10 0 BEAERN CCC(=O)N[C@H]1CCCc2cccc(OC)c2C1 ZINC000013781250 168241809 /nfs/dbraw/zinc/24/18/09/168241809.db2.gz ZUENSFNTIJQYRP-LBPRGKRZSA-N 0 0 247.338 2.469 10 0 BEAERN CCC(=O)c1ccc2nc(N)sc2c1 ZINC000045237911 168257250 /nfs/dbraw/zinc/25/72/50/168257250.db2.gz PXGXXHNLXMLMAF-UHFFFAOYSA-N 0 0 206.270 2.471 10 0 BEAERN CCC(C)(C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116120393 168263219 /nfs/dbraw/zinc/26/32/19/168263219.db2.gz LSBODGWGJSMOIR-NSHDSACASA-N 0 0 249.358 2.172 10 0 BEAERN CCC(C)(C)C(=O)N[C@]1(CO)CCC[C@@H](C)C1 ZINC000054403762 168267749 /nfs/dbraw/zinc/26/77/49/168267749.db2.gz VBTKZZOCZCVXTK-BXUZGUMPSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)NC(=O)CSCc1ccon1 ZINC000122921965 168291166 /nfs/dbraw/zinc/29/11/66/168291166.db2.gz DIULWKTVDHHKTK-UHFFFAOYSA-N 0 0 242.344 2.213 10 0 BEAERN CCC(C)(C)NC(=O)c1cc(C)ccc1N ZINC000053000096 168296060 /nfs/dbraw/zinc/29/60/60/168296060.db2.gz VDSCIOLFJPTBLO-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN CCC(C)(C)Nc1cc2c(cc1N)CC(=O)N2 ZINC000035345315 168302620 /nfs/dbraw/zinc/30/26/20/168302620.db2.gz QQJMUQMMZVRQMH-UHFFFAOYSA-N 0 0 233.315 2.364 10 0 BEAERN CCC(C)(C)Nc1ccc(C(N)=S)cn1 ZINC000019480149 168302779 /nfs/dbraw/zinc/30/27/79/168302779.db2.gz WZSNGCPGWBSTAN-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN CCC(C)(C)NC1N=NC(=S)S1 ZINC000020581455 168303242 /nfs/dbraw/zinc/30/32/42/168303242.db2.gz VPHMULZILHOTGC-UHFFFAOYSA-N 0 0 203.336 2.427 10 0 BEAERN CCC(C)(C)Oc1ncnc(Cl)c1N ZINC000062365075 168303848 /nfs/dbraw/zinc/30/38/48/168303848.db2.gz SQGWKHZBTBBAOH-UHFFFAOYSA-N 0 0 215.684 2.280 10 0 BEAERN Cc1cc(N[C@H]2CNc3ccccc3C2)ncn1 ZINC000404434088 411396417 /nfs/dbraw/zinc/39/64/17/411396417.db2.gz DCFTXQZVIPFXLY-GFCCVEGCSA-N 0 0 240.310 2.234 10 0 BEAERN Cc1nccc(N[C@H]2CNc3ccccc3C2)n1 ZINC000404440267 411396555 /nfs/dbraw/zinc/39/65/55/411396555.db2.gz JOJZSDHWVWAKIA-GFCCVEGCSA-N 0 0 240.310 2.234 10 0 BEAERN c1nc([C@H]2CN(Cc3ccccc3)CCO2)co1 ZINC000616644233 411410615 /nfs/dbraw/zinc/41/06/15/411410615.db2.gz LXCPBEWQRSWTPJ-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN CCN(CCc1nccs1)C(=O)c1ccc[nH]1 ZINC000131652334 169876677 /nfs/dbraw/zinc/87/66/77/169876677.db2.gz BSMSWCJOHIWFAY-UHFFFAOYSA-N 0 0 249.339 2.176 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@@H](C)CCO)n1 ZINC000122485469 411434183 /nfs/dbraw/zinc/43/41/83/411434183.db2.gz SSNZKVJGDOQRIE-JTQLQIEISA-N 0 0 237.347 2.339 10 0 BEAERN CCN(Cc1cccc(N)c1)C(=O)[C@H]1C[C@H]1C ZINC000035364165 169911625 /nfs/dbraw/zinc/91/16/25/169911625.db2.gz WWOBHHRVJUIDKT-MFKMUULPSA-N 0 0 232.327 2.273 10 0 BEAERN Cc1c[nH]c(CN[C@H]2CCOc3ccccc32)n1 ZINC000657290428 411451480 /nfs/dbraw/zinc/45/14/80/411451480.db2.gz PTIFOBUWTBJAKH-LBPRGKRZSA-N 0 0 243.310 2.332 10 0 BEAERN CCN(c1c(N)c(C)nn1C)C1CCCC1 ZINC000036749423 169941514 /nfs/dbraw/zinc/94/15/14/169941514.db2.gz YBLWNOOVKBEPPR-UHFFFAOYSA-N 0 0 222.336 2.080 10 0 BEAERN CC[C@@H]1C[C@H](N[C@@H](C)c2ncc(C)o2)CO1 ZINC000657458967 411517418 /nfs/dbraw/zinc/51/74/18/411517418.db2.gz SJKQGAUGSDJOLO-GARJFASQSA-N 0 0 224.304 2.201 10 0 BEAERN CCN1N=C(C)CC(c2cc(C)cn2C)=N1 ZINC000039102065 170040762 /nfs/dbraw/zinc/04/07/62/170040762.db2.gz CMCDBZIUTVOAME-UHFFFAOYSA-N 0 0 218.304 2.139 10 0 BEAERN CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121523591 170041161 /nfs/dbraw/zinc/04/11/61/170041161.db2.gz ZEAJKYPOTZQPEH-BXKDBHETSA-N 0 0 227.254 2.092 10 0 BEAERN CCNC(=O)/C=C1\CCc2ccc(F)cc21 ZINC000027329664 170042345 /nfs/dbraw/zinc/04/23/45/170042345.db2.gz GMLITQNTHVEDGC-JXMROGBWSA-N 0 0 219.259 2.291 10 0 BEAERN CCNC(=O)CCNc1ccccc1OCC ZINC000051757984 170053184 /nfs/dbraw/zinc/05/31/84/170053184.db2.gz OMJSAIBZSALVHV-UHFFFAOYSA-N 0 0 236.315 2.023 10 0 BEAERN CCNC(=O)CSc1ccc(Cl)cc1N ZINC000019815515 170069283 /nfs/dbraw/zinc/06/92/83/170069283.db2.gz DQXNMJRSLQFLFA-UHFFFAOYSA-N 0 0 244.747 2.150 10 0 BEAERN CCNC(=O)N1CCc2sccc2[C@@H]1C ZINC000049070515 170075209 /nfs/dbraw/zinc/07/52/09/170075209.db2.gz SRLLBCYCWCGKHS-QMMMGPOBSA-N 0 0 224.329 2.397 10 0 BEAERN CCNC(=O)Nc1c(N)ccc(C)c1C ZINC000036744006 170083771 /nfs/dbraw/zinc/08/37/71/170083771.db2.gz KKGUBZJTDVUSOM-UHFFFAOYSA-N 0 0 207.277 2.027 10 0 BEAERN CCNC(=O)Nc1cccc2c1NCCC2 ZINC000036949281 170085359 /nfs/dbraw/zinc/08/53/59/170085359.db2.gz DKJVGTWIGDNBEQ-UHFFFAOYSA-N 0 0 219.288 2.186 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(C)cc(C)c1 ZINC000020308292 170095629 /nfs/dbraw/zinc/09/56/29/170095629.db2.gz LRHZLZGVSWQTRY-NSHDSACASA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(C)ccc1C ZINC000020306554 170095715 /nfs/dbraw/zinc/09/57/15/170095715.db2.gz FSQWENWFJXHSEC-NSHDSACASA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@H](C)Sc1ccc(C)cc1N ZINC000037193156 170096622 /nfs/dbraw/zinc/09/66/22/170096622.db2.gz HTSDOFAZLIHWPM-VIFPVBQESA-N 0 0 238.356 2.194 10 0 BEAERN CCNC(=O)c1c(N)scc1CC(C)C ZINC000105265555 170100477 /nfs/dbraw/zinc/10/04/77/170100477.db2.gz AJRKNIKSHCUMQD-UHFFFAOYSA-N 0 0 226.345 2.279 10 0 BEAERN CCNC(=O)c1ccc(N)c(NCC(C)(C)C)c1 ZINC000103962742 170101587 /nfs/dbraw/zinc/10/15/87/170101587.db2.gz SCTLNVOZPWLWNX-UHFFFAOYSA-N 0 0 249.358 2.477 10 0 BEAERN CCNC(=O)c1ccc(N)c(OCC(C)C)c1 ZINC000036292131 170101963 /nfs/dbraw/zinc/10/19/63/170101963.db2.gz XGLDWIBUDUXEKF-UHFFFAOYSA-N 0 0 236.315 2.053 10 0 BEAERN CCNCc1noc(C[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000051860529 170131516 /nfs/dbraw/zinc/13/15/16/170131516.db2.gz PPNVGLPQNTXSCO-AXFHLTTASA-N 0 0 235.331 2.158 10 0 BEAERN CCN[C@@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000037869580 170138471 /nfs/dbraw/zinc/13/84/71/170138471.db2.gz WTWWZHFQDQHBIF-SECBINFHSA-N 0 0 247.125 2.129 10 0 BEAERN CC[NH2+][C@@H](CCOC1CCCCCC1)C(=O)[O-] ZINC000062541156 170145198 /nfs/dbraw/zinc/14/51/98/170145198.db2.gz VMWWBPCINUWPGI-LBPRGKRZSA-N 0 0 243.347 2.179 10 0 BEAERN CCN[C@@H](c1ccc(C)cc1)c1ncccn1 ZINC000037536328 170147842 /nfs/dbraw/zinc/14/78/42/170147842.db2.gz YDXSPRVDRDZMTQ-ZDUSSCGKSA-N 0 0 227.311 2.484 10 0 BEAERN CCN[C@H](c1nccn1C)c1occc1C ZINC000041048663 170149077 /nfs/dbraw/zinc/14/90/77/170149077.db2.gz OCKXLZKDROHUBJ-JTQLQIEISA-N 0 0 219.288 2.020 10 0 BEAERN CCN[C@@](C)(Cl)C(=O)c1ccccc1 ZINC000039055571 170154732 /nfs/dbraw/zinc/15/47/32/170154732.db2.gz WHPCKEBJVPJZAB-LLVKDONJSA-N 0 0 211.692 2.434 10 0 BEAERN CC[NH2+][C@@H]1c2cc(OC)ccc2O[C@H]1C ZINC000049851032 170154757 /nfs/dbraw/zinc/15/47/57/170154757.db2.gz UDCJVHJGFANVAR-UFBFGSQYSA-N 0 0 207.273 2.127 10 0 BEAERN CC[NH2+][C@@H]1c2c(cc(F)cc2F)O[C@@H]1C ZINC000054932066 170155103 /nfs/dbraw/zinc/15/51/03/170155103.db2.gz LVHJZZCWWDHWDR-KBUNVGBDSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1c(C)cc(C)cc1C ZINC000037181764 170156058 /nfs/dbraw/zinc/15/60/58/170156058.db2.gz ZFKQNLWYQQWGLB-LBPRGKRZSA-N 0 0 221.300 2.347 10 0 BEAERN CCN[C@@H](c1nnc(C)o1)c1ccccc1 ZINC000050618089 170165164 /nfs/dbraw/zinc/16/51/64/170165164.db2.gz LUTUGJVPRMOPRA-LLVKDONJSA-N 0 0 217.272 2.077 10 0 BEAERN CC[NH2+][C@H]1c2cc(C)cc(OC)c2O[C@H]1C ZINC000043633321 170169411 /nfs/dbraw/zinc/16/94/11/170169411.db2.gz DDVMHIOJKIOQAZ-JOYOIKCWSA-N 0 0 221.300 2.435 10 0 BEAERN CC[NH2+][C@H]1c2ccc(F)c(F)c2O[C@H]1C ZINC000062611529 170169590 /nfs/dbraw/zinc/16/95/90/170169590.db2.gz MOWNCBLLAQETIN-QUBYGPBYSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@H]1c2cc(OC)ccc2O[C@H]1C ZINC000049851034 170169679 /nfs/dbraw/zinc/16/96/79/170169679.db2.gz UDCJVHJGFANVAR-QPUJVOFHSA-N 0 0 207.273 2.127 10 0 BEAERN CC[NH2+][C@](C)(C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000037182027 170170389 /nfs/dbraw/zinc/17/03/89/170170389.db2.gz MIJMZIWNKYVRCD-NSHDSACASA-N 0 0 245.681 2.388 10 0 BEAERN CCNc1cc(C(=O)N2CCC[C@@H](C)C2)ccn1 ZINC000050726436 170171482 /nfs/dbraw/zinc/17/14/82/170171482.db2.gz NWRICJBGDOWWPA-LLVKDONJSA-N 0 0 247.342 2.386 10 0 BEAERN CCNc1c(F)cccc1C(=O)NC(C)C ZINC000054205803 170171515 /nfs/dbraw/zinc/17/15/15/170171515.db2.gz LZYGNRXYRCSVEN-UHFFFAOYSA-N 0 0 224.279 2.396 10 0 BEAERN CCNc1cc(C)nc(-c2ccccn2)n1 ZINC000050848773 170171991 /nfs/dbraw/zinc/17/19/91/170171991.db2.gz OHXGPSJQKZIARE-UHFFFAOYSA-N 0 0 214.272 2.279 10 0 BEAERN CCNc1ccc(-c2nnco2)cc1C ZINC000037120059 170172864 /nfs/dbraw/zinc/17/28/64/170172864.db2.gz QDDBFDFCOPQBNN-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1cc2c(cc1F)CCC(=O)N2 ZINC000037074560 170172998 /nfs/dbraw/zinc/17/29/98/170172998.db2.gz LTIFHUDNYLUGQK-UHFFFAOYSA-N 0 0 208.236 2.142 10 0 BEAERN CCNc1cc(Cn2cc(Cl)cn2)ccn1 ZINC000052733708 170173038 /nfs/dbraw/zinc/17/30/38/170173038.db2.gz WNVSNTCLZQEQAP-UHFFFAOYSA-N 0 0 236.706 2.412 10 0 BEAERN CCNc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000052303336 170173509 /nfs/dbraw/zinc/17/35/09/170173509.db2.gz OBXKJGYSXBCFHH-SKDRFNHKSA-N 0 0 218.300 2.257 10 0 BEAERN CCNc1ccnc(C(=O)N2CCC[C@H](C)C2)c1 ZINC000050726379 170175207 /nfs/dbraw/zinc/17/52/07/170175207.db2.gz NJBIIFSWFYKLFT-NSHDSACASA-N 0 0 247.342 2.386 10 0 BEAERN CCNc1nc(-c2cnccn2)nc(C)c1CC ZINC000050849610 170175642 /nfs/dbraw/zinc/17/56/42/170175642.db2.gz OBVURKNHROVFSC-UHFFFAOYSA-N 0 0 243.314 2.236 10 0 BEAERN CCNc1nc(Cc2ccc(C)cc2)no1 ZINC000053750236 170176456 /nfs/dbraw/zinc/17/64/56/170176456.db2.gz OKDFEGMKICKBBY-UHFFFAOYSA-N 0 0 217.272 2.401 10 0 BEAERN CCNc1nc2c(s1)CSCC2 ZINC000061714332 170176923 /nfs/dbraw/zinc/17/69/23/170176923.db2.gz LOPCZZFBOZPOKO-UHFFFAOYSA-N 0 0 200.332 2.364 10 0 BEAERN CCNc1nc(Cl)nc(N[C@@H](C)C(C)C)n1 ZINC000087801353 170177270 /nfs/dbraw/zinc/17/72/70/170177270.db2.gz KUSIBZBALUOJHM-ZETCQYMHSA-N 0 0 243.742 2.413 10 0 BEAERN CCNc1ncccc1C(=O)N1C[C@@H]2CC[C@H]1C2 ZINC000050778401 170178387 /nfs/dbraw/zinc/17/83/87/170178387.db2.gz GCUCLPRIIKLGLN-MNOVXSKESA-N 0 0 245.326 2.138 10 0 BEAERN CCNc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000050778400 170178696 /nfs/dbraw/zinc/17/86/96/170178696.db2.gz GCUCLPRIIKLGLN-WDEREUQCSA-N 0 0 245.326 2.138 10 0 BEAERN CCNc1sc2c(c1C(=O)OC)CCC2 ZINC000062796985 170179182 /nfs/dbraw/zinc/17/91/82/170179182.db2.gz YDMPMYYEXKNUSR-UHFFFAOYSA-N 0 0 225.313 2.455 10 0 BEAERN CCNc1snnc1CN1CCCCCC1 ZINC000050792502 170179395 /nfs/dbraw/zinc/17/93/95/170179395.db2.gz NCYYYEJKBFPRNY-UHFFFAOYSA-N 0 0 240.376 2.346 10 0 BEAERN CCO/C=C1\C(=O)Nc2nc(Cl)ccc21 ZINC000089222037 170179628 /nfs/dbraw/zinc/17/96/28/170179628.db2.gz VMOBUZITJDMNET-ALCCZGGFSA-N 0 0 224.647 2.065 10 0 BEAERN CCOC(=N)[C@@H](O)c1ccccc1OCC ZINC000039392952 170179898 /nfs/dbraw/zinc/17/98/98/170179898.db2.gz PUAMLBUFSAZUMZ-NSHDSACASA-N 0 0 223.272 2.132 10 0 BEAERN CCOC(=N)[C@@H](O)c1c(F)cccc1F ZINC000039135036 170180096 /nfs/dbraw/zinc/18/00/96/170180096.db2.gz QHDLAILXXBEEPB-VIFPVBQESA-N 0 0 215.199 2.012 10 0 BEAERN CCOC(=N)[C@H](O)c1c(Cl)cccc1OC ZINC000039392962 170180075 /nfs/dbraw/zinc/18/00/75/170180075.db2.gz NVGMWJYWZOLUBL-SNVBAGLBSA-N 0 0 243.690 2.396 10 0 BEAERN CCOC(=O)C=C(C)Nc1ccc(C)cc1N ZINC000001883743 170182935 /nfs/dbraw/zinc/18/29/35/170182935.db2.gz FWKSCVSYLQTTQE-CSKARUKUSA-N 0 0 234.299 2.456 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)CC(C)C ZINC000041210296 170185479 /nfs/dbraw/zinc/18/54/79/170185479.db2.gz HJHLRHVTLLGOOI-UHFFFAOYSA-N 0 0 200.278 2.191 10 0 BEAERN CCOC(=O)C(C)(C)NCCc1ccc(C)cc1 ZINC000121498448 170187212 /nfs/dbraw/zinc/18/72/12/170187212.db2.gz QJHUZWXFZSZKLW-UHFFFAOYSA-N 0 0 249.354 2.469 10 0 BEAERN CCOC(=O)C(C)(C)c1nc([C@H](C)CC)no1 ZINC000093247746 170188248 /nfs/dbraw/zinc/18/82/48/170188248.db2.gz KHDNVACBZGCXMM-MRVPVSSYSA-N 0 0 240.303 2.424 10 0 BEAERN CCOC(=O)C1=C(C)O[C@@H]2C=CCC[C@H]12 ZINC000039105688 170191712 /nfs/dbraw/zinc/19/17/12/170191712.db2.gz LVGWHOVCXNYTGP-VHSXEESVSA-N 0 0 208.257 2.189 10 0 BEAERN CCOC(=O)CC(=O)CSc1ccccc1 ZINC000004759547 170193000 /nfs/dbraw/zinc/19/30/00/170193000.db2.gz LLGOMIPFKKCDSD-UHFFFAOYSA-N 0 0 238.308 2.301 10 0 BEAERN CCOC(=O)CC(=O)CCc1ccccc1F ZINC000041279793 170193306 /nfs/dbraw/zinc/19/33/06/170193306.db2.gz OEMDDRDKUHLLAK-UHFFFAOYSA-N 0 0 238.258 2.281 10 0 BEAERN CCOC(=O)CCNc1cccc(OCC)c1 ZINC000049565977 170209723 /nfs/dbraw/zinc/20/97/23/170209723.db2.gz NDEKHMQZNZBTQA-UHFFFAOYSA-N 0 0 237.299 2.450 10 0 BEAERN CCOC(=O)CCNc1ccc(OC)c(F)c1 ZINC000037290603 170210176 /nfs/dbraw/zinc/21/01/76/170210176.db2.gz VRQSGZNYDRCYGI-UHFFFAOYSA-N 0 0 241.262 2.199 10 0 BEAERN CCOC(=O)CNCc1cc(Cl)ccc1F ZINC000083374587 170225232 /nfs/dbraw/zinc/22/52/32/170225232.db2.gz XXCDSUCAQMJLOU-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CNCc1ccc(Cl)s1 ZINC000037472519 170225624 /nfs/dbraw/zinc/22/56/24/170225624.db2.gz IDSAGBGKYANTDB-UHFFFAOYSA-N 0 0 233.720 2.054 10 0 BEAERN CCOC(=O)CNc1ccc(N)cc1C(F)F ZINC000104219673 170227334 /nfs/dbraw/zinc/22/73/34/170227334.db2.gz YPYDSUJTRZWSGB-UHFFFAOYSA-N 0 0 244.241 2.181 10 0 BEAERN CCOC(=O)CN[C@H](C)c1cccc(C)c1 ZINC000037472592 170227369 /nfs/dbraw/zinc/22/73/69/170227369.db2.gz HLADRDBVTBVQRG-LLVKDONJSA-N 0 0 221.300 2.209 10 0 BEAERN CCOC(=O)CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000365798100 170227378 /nfs/dbraw/zinc/22/73/78/170227378.db2.gz ULCFVZCPSIDJBY-NEPJUHHUSA-N 0 0 225.332 2.108 10 0 BEAERN CCOC(=O)CNc1cccc(CC)c1 ZINC000020054822 170228441 /nfs/dbraw/zinc/22/84/41/170228441.db2.gz LQENFOCQBNJWTP-UHFFFAOYSA-N 0 0 207.273 2.224 10 0 BEAERN CCOC(=O)COc1cccc(CC)c1 ZINC000020302551 170228678 /nfs/dbraw/zinc/22/86/78/170228678.db2.gz ZBUKWBHGABRARI-UHFFFAOYSA-N 0 0 208.257 2.191 10 0 BEAERN CCOC(=O)COc1ccnc2c(C)cccc12 ZINC000045928522 170229425 /nfs/dbraw/zinc/22/94/25/170229425.db2.gz HQYCQAAGASJYGT-UHFFFAOYSA-N 0 0 245.278 2.485 10 0 BEAERN CCOC(=O)C[C@@H]1CCc2cc(O)ccc2O1 ZINC000034274960 170231959 /nfs/dbraw/zinc/23/19/59/170231959.db2.gz PLEMAEYMBILCPR-NSHDSACASA-N 0 0 236.267 2.039 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(C)n1 ZINC000095763977 170235348 /nfs/dbraw/zinc/23/53/48/170235348.db2.gz ZPXQOGKJSWAWFB-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1cnc(C)cc1Cl ZINC000095763973 170235917 /nfs/dbraw/zinc/23/59/17/170235917.db2.gz DMAWMYUWHPULNB-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1nccc2ccccc21 ZINC000039642417 170236943 /nfs/dbraw/zinc/23/69/43/170236943.db2.gz IOQUTNXSFDEEPS-UHFFFAOYSA-N 0 0 215.252 2.340 10 0 BEAERN CCOC(=O)N(Cc1ccccc1N)C1CC1 ZINC000035366422 170238301 /nfs/dbraw/zinc/23/83/01/170238301.db2.gz XZOSLOSURLAWCE-UHFFFAOYSA-N 0 0 234.299 2.390 10 0 BEAERN CCOC(=O)N1CC(=O)C[C@@H]1c1ccccc1 ZINC000299889722 170239111 /nfs/dbraw/zinc/23/91/11/170239111.db2.gz NUNVKJYNCZZLFO-GFCCVEGCSA-N 0 0 233.267 2.159 10 0 BEAERN CCOC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000008803961 170244136 /nfs/dbraw/zinc/24/41/36/170244136.db2.gz RQLQILSBPRHQLX-UHFFFAOYSA-N 0 0 234.255 2.140 10 0 BEAERN CCOC(=O)[C@@H](C)N(C)c1ccccc1F ZINC000255187923 170247805 /nfs/dbraw/zinc/24/78/05/170247805.db2.gz HQQZIRHZPSTPDX-SECBINFHSA-N 0 0 225.263 2.214 10 0 BEAERN CCOC(=O)[C@@H](CC)C(=O)Cc1ccccc1 ZINC000034614089 170249888 /nfs/dbraw/zinc/24/98/88/170249888.db2.gz IMSSDDKOLKKRAW-LBPRGKRZSA-N 0 0 234.295 2.388 10 0 BEAERN CCOC(=O)[C@@H](CC)C1(O)CCCCC1 ZINC000005924326 170250505 /nfs/dbraw/zinc/25/05/05/170250505.db2.gz CPCOUDFALHSPMH-SNVBAGLBSA-N 0 0 214.305 2.271 10 0 BEAERN CCOC(=O)[C@@H](CC)Nc1cccc(OC)c1 ZINC000037961353 170250875 /nfs/dbraw/zinc/25/08/75/170250875.db2.gz KCSOGTJYBOHWLI-GFCCVEGCSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)[C@@H](CC)Nc1ccc(OC)cc1 ZINC000037953078 170250990 /nfs/dbraw/zinc/25/09/90/170250990.db2.gz IZQFFWKWWHBFLN-GFCCVEGCSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)c2cccc(F)c21 ZINC000036439550 170257272 /nfs/dbraw/zinc/25/72/72/170257272.db2.gz BXFOVUZVFGSDDJ-SECBINFHSA-N 0 0 236.242 2.449 10 0 BEAERN CCOC(=O)[C@@](C)(CC(C)C)NCC1CC1 ZINC000037968074 170260387 /nfs/dbraw/zinc/26/03/87/170260387.db2.gz MEPMBPIXHLSZEN-CYBMUJFWSA-N 0 0 227.348 2.354 10 0 BEAERN COc1cc(CN[C@@H](C)c2ccc(C)o2)on1 ZINC000660257507 411560951 /nfs/dbraw/zinc/56/09/51/411560951.db2.gz SFEXFQVYUVLFIX-VIFPVBQESA-N 0 0 236.271 2.435 10 0 BEAERN CCOC(=O)[C@@]1(NC)C[C@H](C)CC(C)(C)C1 ZINC000037458721 170263621 /nfs/dbraw/zinc/26/36/21/170263621.db2.gz IJWLBVPLEGTGIT-ZWNOBZJWSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H](C)c1ccccc1F ZINC000049368831 170268311 /nfs/dbraw/zinc/26/83/11/170268311.db2.gz MILYFGWTXXHFHS-UWVGGRQHSA-N 0 0 239.290 2.428 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H](C)c1ccccc1F ZINC000049368837 170268741 /nfs/dbraw/zinc/26/87/41/170268741.db2.gz MILYFGWTXXHFHS-ZJUUUORDSA-N 0 0 239.290 2.428 10 0 BEAERN CCOC(=O)[C@H](C)Nc1nc2ccccc2o1 ZINC000049374006 170269318 /nfs/dbraw/zinc/26/93/18/170269318.db2.gz MTXOTHWIUKAKFE-QMMMGPOBSA-N 0 0 234.255 2.191 10 0 BEAERN CCOC(=O)[C@H](C)Oc1ccc([C@@H](C)O)cc1 ZINC000049955220 170269375 /nfs/dbraw/zinc/26/93/75/170269375.db2.gz FTEPLVBNMRZMCR-ZJUUUORDSA-N 0 0 238.283 2.070 10 0 BEAERN CCOC(=O)[C@H](C)c1cccc2ocnc21 ZINC000089195178 170270378 /nfs/dbraw/zinc/27/03/78/170270378.db2.gz HSIWLMPYABUVLR-MRVPVSSYSA-N 0 0 219.240 2.494 10 0 BEAERN CCOC(=O)[C@H](N)c1cc(Cl)ccc1F ZINC000076134341 170276758 /nfs/dbraw/zinc/27/67/58/170276758.db2.gz MMRDLDXTICOJDZ-SECBINFHSA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)[C@H](N)c1csc2ccccc21 ZINC000033786742 170276888 /nfs/dbraw/zinc/27/68/88/170276888.db2.gz LGMNCFQURFBTDH-LLVKDONJSA-N 0 0 235.308 2.464 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)c2cc(F)ccc21 ZINC000034558019 170278629 /nfs/dbraw/zinc/27/86/29/170278629.db2.gz FPTZEUBAJMEUFN-JTQLQIEISA-N 0 0 236.242 2.449 10 0 BEAERN CCOC(=O)[C@](C)(CC)NC1CCCC1 ZINC000037970435 170283559 /nfs/dbraw/zinc/28/35/59/170283559.db2.gz FZKBQZUEJGRKBO-LBPRGKRZSA-N 0 0 213.321 2.250 10 0 BEAERN CCOC(=O)[C@]1(NC)C[C@H](C)CC(C)(C)C1 ZINC000037458720 170286033 /nfs/dbraw/zinc/28/60/33/170286033.db2.gz IJWLBVPLEGTGIT-MFKMUULPSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)c1c(C)[nH]c(Cl)c1C ZINC000005857848 170287151 /nfs/dbraw/zinc/28/71/51/170287151.db2.gz GRYFGCGXANJODG-UHFFFAOYSA-N 0 0 201.653 2.462 10 0 BEAERN CCOC(=O)c1c(N)c(Cl)ccc1OC ZINC000043318104 170289059 /nfs/dbraw/zinc/28/90/59/170289059.db2.gz BFPXRIGADXHUFS-UHFFFAOYSA-N 0 0 229.663 2.108 10 0 BEAERN CCOC(=O)c1c[nH]c2ncc(Cl)cc12 ZINC000095830271 170289566 /nfs/dbraw/zinc/28/95/66/170289566.db2.gz WADDPXVDOIIATP-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN CCOC(=O)c1cc(-c2ccccn2)ccn1 ZINC000299889661 170290975 /nfs/dbraw/zinc/29/09/75/170290975.db2.gz MOEUVBPOCRSFOO-UHFFFAOYSA-N 0 0 228.251 2.320 10 0 BEAERN CCOC(=O)c1cc(=O)cc(-c2ccccc2)[nH]1 ZINC000043465040 170291035 /nfs/dbraw/zinc/29/10/35/170291035.db2.gz AOMOUNLHMRSJJY-UHFFFAOYSA-N 0 0 243.262 2.219 10 0 BEAERN CCOC(=O)c1cc(C=O)c(Cl)s1 ZINC000069476367 170291285 /nfs/dbraw/zinc/29/12/85/170291285.db2.gz GJTHZLGIEUAJIM-UHFFFAOYSA-N 0 0 218.661 2.391 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(C=O)c1 ZINC000095930258 170292068 /nfs/dbraw/zinc/29/20/68/170292068.db2.gz IERNMROKCZGMKS-UHFFFAOYSA-N 0 0 212.632 2.329 10 0 BEAERN CCOC(=O)c1cc(F)ncc1Cl ZINC000047203104 170292120 /nfs/dbraw/zinc/29/21/20/170292120.db2.gz FRJCFPPAORCJGI-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1ccc(CNC(F)(F)F)cc1 ZINC000095091720 170295400 /nfs/dbraw/zinc/29/54/00/170295400.db2.gz JIPLTDBJZRHIHB-UHFFFAOYSA-N 0 0 247.216 2.473 10 0 BEAERN CCOC(=O)c1ccc(NC2CC2)cc1 ZINC000034566129 170295991 /nfs/dbraw/zinc/29/59/91/170295991.db2.gz BONKADOTDLVBQA-UHFFFAOYSA-N 0 0 205.257 2.438 10 0 BEAERN CCOC(=O)c1ccc2[nH]c(CC)nc2c1 ZINC000090470774 170297646 /nfs/dbraw/zinc/29/76/46/170297646.db2.gz WIPQECRJACBBIV-UHFFFAOYSA-N 0 0 218.256 2.302 10 0 BEAERN CCOC(=O)c1ccc2cc(O)ccc2n1 ZINC000090470779 170297657 /nfs/dbraw/zinc/29/76/57/170297657.db2.gz GQHGGMDTSDNMEN-UHFFFAOYSA-N 0 0 217.224 2.117 10 0 BEAERN CCOC(=O)c1ccnc(OC(C)(C)C)c1 ZINC000094150756 170300610 /nfs/dbraw/zinc/30/06/10/170300610.db2.gz PFDYCJQZUYABBN-UHFFFAOYSA-N 0 0 223.272 2.436 10 0 BEAERN CCOC(=O)c1cnc2c(C)cccc2c1N ZINC000045928484 170302390 /nfs/dbraw/zinc/30/23/90/170302390.db2.gz RBTSPXHGEBEYEC-UHFFFAOYSA-N 0 0 230.267 2.302 10 0 BEAERN CCOC(=O)c1cnn(CC)c1C(F)(F)F ZINC000060394272 170303710 /nfs/dbraw/zinc/30/37/10/170303710.db2.gz CUHYBVRVDLOPBT-UHFFFAOYSA-N 0 0 236.193 2.099 10 0 BEAERN CCOC(=O)c1n[nH]c(-c2ccc(C)c(F)c2)n1 ZINC000103920920 170305381 /nfs/dbraw/zinc/30/53/81/170305381.db2.gz MMAKQZMQRJMSET-UHFFFAOYSA-N 0 0 249.245 2.096 10 0 BEAERN CCOC(=O)c1nc(N)sc1C(C)(C)C ZINC000095756470 170306751 /nfs/dbraw/zinc/30/67/51/170306751.db2.gz DMURGDABYIUUTO-UHFFFAOYSA-N 0 0 228.317 2.200 10 0 BEAERN CCOC(=O)c1nc2c(s1)C[C@@H](C)CC2 ZINC000042407145 170308125 /nfs/dbraw/zinc/30/81/25/170308125.db2.gz JRYBCLCNAUOJEX-ZETCQYMHSA-N 0 0 225.313 2.445 10 0 BEAERN CCOC(=O)c1ncc(C(F)(F)F)s1 ZINC000095933042 170308163 /nfs/dbraw/zinc/30/81/63/170308163.db2.gz HQRQECGNARLVCZ-UHFFFAOYSA-N 0 0 225.191 2.339 10 0 BEAERN CCOC(=O)c1oc(N)cc1C(F)(F)F ZINC000261508481 170309463 /nfs/dbraw/zinc/30/94/63/170309463.db2.gz TUDSWLLGNZXUPX-UHFFFAOYSA-N 0 0 223.150 2.057 10 0 BEAERN CCOC(C)(C)NC(=O)OC(C)(C)C ZINC000039093237 170315142 /nfs/dbraw/zinc/31/51/42/170315142.db2.gz PVKQSUNQEMVWFW-UHFFFAOYSA-N 0 0 203.282 2.284 10 0 BEAERN CCOC(Cc1ccncc1)(OCC)OCC ZINC000053136717 170316378 /nfs/dbraw/zinc/31/63/78/170316378.db2.gz BKCADVDCCSCLSF-UHFFFAOYSA-N 0 0 239.315 2.387 10 0 BEAERN CCOC(OCC)c1nc(-c2cccnc2)no1 ZINC000104314795 170316859 /nfs/dbraw/zinc/31/68/59/170316859.db2.gz MLXPQUKRLUJFGN-UHFFFAOYSA-N 0 0 249.270 2.203 10 0 BEAERN CCOC1(C)CN(Cc2ccccc2)C1 ZINC000039099369 170319034 /nfs/dbraw/zinc/31/90/34/170319034.db2.gz YEFYMYOEJDRMPB-UHFFFAOYSA-N 0 0 205.301 2.297 10 0 BEAERN CCOCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103055226 170346674 /nfs/dbraw/zinc/34/66/74/170346674.db2.gz WWVIBHOCDJVEIJ-VXGBXAGGSA-N 0 0 227.348 2.354 10 0 BEAERN CCOCCC(=O)N(CC)c1cccc(N)c1 ZINC000063107591 170357452 /nfs/dbraw/zinc/35/74/52/170357452.db2.gz NBIFQRYLTBMYNB-UHFFFAOYSA-N 0 0 236.315 2.048 10 0 BEAERN CCOCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022214628 170363328 /nfs/dbraw/zinc/36/33/28/170363328.db2.gz QSUDDXHSTGHKTF-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN CCOCCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000357682792 170370457 /nfs/dbraw/zinc/37/04/57/170370457.db2.gz LXTCHMRHVLTZPU-LLVKDONJSA-N 0 0 245.363 2.075 10 0 BEAERN CCOCCCNc1ccccc1C(N)=S ZINC000020077122 170384100 /nfs/dbraw/zinc/38/41/00/170384100.db2.gz HZOMCBRATAZYKW-UHFFFAOYSA-N 0 0 238.356 2.159 10 0 BEAERN CCOCCN(CC)c1c(F)cc(N)cc1F ZINC000104188692 170395697 /nfs/dbraw/zinc/39/56/97/170395697.db2.gz OVBMFARXHVITDP-UHFFFAOYSA-N 0 0 244.285 2.410 10 0 BEAERN COC(=O)Cc1c(O)ccc(C)c1Cl ZINC000259946296 411581728 /nfs/dbraw/zinc/58/17/28/411581728.db2.gz IHGQXZQXENAGMQ-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN CCO[C@@H]1CC(C)(C)C[C@H]2CC(=O)O[C@@H]21 ZINC000045805872 170479060 /nfs/dbraw/zinc/47/90/60/170479060.db2.gz MNUVGYJNCCLUDF-KKZNHRDASA-N 0 0 212.289 2.143 10 0 BEAERN CCO[C@@H]1CCc2cccc(OC)c2O1 ZINC000039099551 170479763 /nfs/dbraw/zinc/47/97/63/170479763.db2.gz NORVBKDQEIUYHQ-NSHDSACASA-N 0 0 208.257 2.383 10 0 BEAERN CCCc1nccnc1NC[C@H]1CCCO1 ZINC000663313827 411622068 /nfs/dbraw/zinc/62/20/68/411622068.db2.gz UCGBYRPHOQKFGC-SNVBAGLBSA-N 0 0 221.304 2.020 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCCOC1 ZINC000663570728 411703520 /nfs/dbraw/zinc/70/35/20/411703520.db2.gz XXOJUFCJALROTD-SNVBAGLBSA-N 0 0 221.304 2.020 10 0 BEAERN CCCc1nccnc1NC[C@]1(C)CCOC1 ZINC000663602461 411706897 /nfs/dbraw/zinc/70/68/97/411706897.db2.gz CFHHYDFTBXJQMW-ZDUSSCGKSA-N 0 0 235.331 2.268 10 0 BEAERN CCCc1nccnc1NC[C@](C)(O)CCC ZINC000663600131 411707997 /nfs/dbraw/zinc/70/79/97/411707997.db2.gz XBTWAZBWPAMKNG-CYBMUJFWSA-N 0 0 237.347 2.392 10 0 BEAERN CCCc1nccnc1NC[C@@H](C)C[C@@H](C)O ZINC000663651084 411713779 /nfs/dbraw/zinc/71/37/79/411713779.db2.gz OUVWIBNXPGDVDM-WDEREUQCSA-N 0 0 237.347 2.248 10 0 BEAERN CCCc1nccnc1NC1CCOCC1 ZINC000663401475 411649031 /nfs/dbraw/zinc/64/90/31/411649031.db2.gz PZKXJPAEAPEBOJ-UHFFFAOYSA-N 0 0 221.304 2.020 10 0 BEAERN CCOc1ccc(CC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075528751 170541339 /nfs/dbraw/zinc/54/13/39/170541339.db2.gz UUFMKSYBAXYPMA-GWCFXTLKSA-N 0 0 233.311 2.152 10 0 BEAERN CCOc1ccc(Cl)cc1C(N)=S ZINC000011957874 170548533 /nfs/dbraw/zinc/54/85/33/170548533.db2.gz GEAWTZNSWHTJOM-UHFFFAOYSA-N 0 0 215.705 2.373 10 0 BEAERN CCOc1ccc(O[C@@H](C)[C@H](C)O)cc1 ZINC000044194452 170556689 /nfs/dbraw/zinc/55/66/89/170556689.db2.gz DAIGYRCKHLCKGR-UWVGGRQHSA-N 0 0 210.273 2.233 10 0 BEAERN CCCc1nccnc1NCC[C@@H](C)OC ZINC000663525892 411698836 /nfs/dbraw/zinc/69/88/36/411698836.db2.gz MTRFJOGZWVXAMO-SNVBAGLBSA-N 0 0 223.320 2.266 10 0 BEAERN CCCc1nccnc1N1CCC[C@H]([C@H](C)O)C1 ZINC000663733556 411735119 /nfs/dbraw/zinc/73/51/19/411735119.db2.gz DXCYIKVDEJTSPL-RYUDHWBXSA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1NCCC[C@@H](C)CO ZINC000663750292 411738628 /nfs/dbraw/zinc/73/86/28/411738628.db2.gz KEDYQVYXCJXCBW-LLVKDONJSA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1N(C)CCCCCO ZINC000663853291 411762017 /nfs/dbraw/zinc/76/20/17/411762017.db2.gz DDWSUVDDLMWUHW-UHFFFAOYSA-N 0 0 237.347 2.028 10 0 BEAERN CCS(=O)(=O)c1ccc(NCC(F)F)cc1 ZINC000147888710 170624433 /nfs/dbraw/zinc/62/44/33/170624433.db2.gz UZZGBELQMLQSDJ-UHFFFAOYSA-N 0 0 249.282 2.157 10 0 BEAERN CCSCC(=O)Nc1cc(N)ccc1F ZINC000019869944 170625845 /nfs/dbraw/zinc/62/58/45/170625845.db2.gz DSVBVLCYEWINLD-UHFFFAOYSA-N 0 0 228.292 2.100 10 0 BEAERN CCCc1nccnc1NCc1snnc1C ZINC000663931883 411779882 /nfs/dbraw/zinc/77/98/82/411779882.db2.gz GRNJTZDSMQXPDN-UHFFFAOYSA-N 0 0 249.343 2.201 10 0 BEAERN CCS[C@@H](C)C(=O)Nc1ccccc1N ZINC000019869957 170646962 /nfs/dbraw/zinc/64/69/62/170646962.db2.gz MHUKULNLFVOXQX-QMMMGPOBSA-N 0 0 224.329 2.349 10 0 BEAERN CCCc1nccnc1N[C@@H](C)CCCCO ZINC000663957121 411790029 /nfs/dbraw/zinc/79/00/29/411790029.db2.gz CTCAJHVBEYGWAO-NSHDSACASA-N 0 0 237.347 2.392 10 0 BEAERN CCCc1nccnc1N[C@H](C)CCCCO ZINC000663957120 411790184 /nfs/dbraw/zinc/79/01/84/411790184.db2.gz CTCAJHVBEYGWAO-LLVKDONJSA-N 0 0 237.347 2.392 10 0 BEAERN CCCc1nccnc1N[C@H](C)CCCO ZINC000663706963 411727972 /nfs/dbraw/zinc/72/79/72/411727972.db2.gz HFZGLZVKUYUMIG-SNVBAGLBSA-N 0 0 223.320 2.002 10 0 BEAERN CC[C@@H](C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000034216361 170673464 /nfs/dbraw/zinc/67/34/64/170673464.db2.gz QSECISHJCUVPHU-SNVBAGLBSA-N 0 0 238.283 2.370 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105859112 170678591 /nfs/dbraw/zinc/67/85/91/170678591.db2.gz FCOYPYCFJQVQOB-CHWSQXEVSA-N 0 0 249.358 2.401 10 0 BEAERN CC[C@@H](C)CN[C@H](CC(C)C)C(=O)OC ZINC000036980165 170708759 /nfs/dbraw/zinc/70/87/59/170708759.db2.gz LBJPWRHNIRAHBO-GHMZBOCLSA-N 0 0 215.337 2.210 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(N)c(C)c(F)c1 ZINC000037483972 170747746 /nfs/dbraw/zinc/74/77/46/170747746.db2.gz FTAZDNMGIZOLEK-SSDOTTSWSA-N 0 0 224.279 2.245 10 0 BEAERN CC[C@@H](C)Nc1cc(C(N)=O)ccc1F ZINC000037013297 170759148 /nfs/dbraw/zinc/75/91/48/170759148.db2.gz RETUOEVLFMRERJ-SSDOTTSWSA-N 0 0 210.252 2.135 10 0 BEAERN CC[C@@H](C)n1nnnc1-c1ccc(C)c(N)c1 ZINC000042015575 170810476 /nfs/dbraw/zinc/81/04/76/170810476.db2.gz UROMWGRJLFMJLP-SECBINFHSA-N 0 0 231.303 2.202 10 0 BEAERN CC[C@@H](COC)NC(=O)NCCC1=CCCC1 ZINC000121283444 170844770 /nfs/dbraw/zinc/84/47/70/170844770.db2.gz XPBHWVICQKIYLY-LBPRGKRZSA-N 0 0 240.347 2.211 10 0 BEAERN CC(C)CN(C(=O)c1ncccc1N)C(C)C ZINC000132498902 412009662 /nfs/dbraw/zinc/00/96/62/412009662.db2.gz ZEIQXNOVQHMJQH-UHFFFAOYSA-N 0 0 235.331 2.170 10 0 BEAERN CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662211468 412026390 /nfs/dbraw/zinc/02/63/90/412026390.db2.gz OYTXTPZYVJKKLK-OPRDCNLKSA-N 0 0 249.301 2.320 10 0 BEAERN CCC[C@H]([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000662206689 412026514 /nfs/dbraw/zinc/02/65/14/412026514.db2.gz VZOLFUOLAAHSTI-NSHDSACASA-N 0 0 213.321 2.410 10 0 BEAERN CC[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1 ZINC000119398345 170971631 /nfs/dbraw/zinc/97/16/31/170971631.db2.gz WLJLMNQAIAPZLE-GFCCVEGCSA-N 0 0 249.358 2.001 10 0 BEAERN CC[C@@H]1CN(C(=O)N[C@@H](C)C(C)C)C[C@@H](C)O1 ZINC000111442279 171065350 /nfs/dbraw/zinc/06/53/50/171065350.db2.gz KIIUEAFKPGXGEY-GRYCIOLGSA-N 0 0 242.363 2.240 10 0 BEAERN CC[C@@H]1CNc2cc(OC)c(OC)cc2N1 ZINC000057923078 171103539 /nfs/dbraw/zinc/10/35/39/171103539.db2.gz YWKPSHDWKJJIRP-MRVPVSSYSA-N 0 0 222.288 2.320 10 0 BEAERN CC[C@@H]1CSC(NCc2ccncc2)=[NH+]1 ZINC000035295142 171113136 /nfs/dbraw/zinc/11/31/36/171113136.db2.gz FADYLWADMXZLFH-SNVBAGLBSA-N 0 0 221.329 2.053 10 0 BEAERN CC[C@@H]1CSC(NCc2cccnc2)=[NH+]1 ZINC000035295158 171113540 /nfs/dbraw/zinc/11/35/40/171113540.db2.gz MLFJEZOHNUOAKZ-SNVBAGLBSA-N 0 0 221.329 2.053 10 0 BEAERN CC[C@@H]1N=C(c2ccc(Cl)cc2)NO1 ZINC000032191987 171143991 /nfs/dbraw/zinc/14/39/91/171143991.db2.gz LBCUISTYDXONFZ-SECBINFHSA-N 0 0 210.664 2.358 10 0 BEAERN CC[C@@H]1NC(=N)c2sccc2O[C@@H]1C ZINC000039101416 171144361 /nfs/dbraw/zinc/14/43/61/171144361.db2.gz ZLRUVIWRLAACGF-RQJHMYQMSA-N 0 0 210.302 2.013 10 0 BEAERN CC[C@@](C)(NC1CCCCC1)C(=O)OC ZINC000037971863 171174549 /nfs/dbraw/zinc/17/45/49/171174549.db2.gz JBVPKJOXWZBZTQ-GFCCVEGCSA-N 0 0 213.321 2.250 10 0 BEAERN CC[C@@](N)(C(=O)OC)c1cccc(Cl)c1 ZINC000037459680 171192965 /nfs/dbraw/zinc/19/29/65/171192965.db2.gz INWDNQHMNAVYKQ-NSHDSACASA-N 0 0 227.691 2.077 10 0 BEAERN CC[C@@](C)(Oc1ccc(O)cc1)C(=O)OC ZINC000072232952 171193170 /nfs/dbraw/zinc/19/31/70/171193170.db2.gz PYYSJAFWJCIFQU-GFCCVEGCSA-N 0 0 224.256 2.113 10 0 BEAERN CC[C@@]([NH2+]C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000037180425 171193922 /nfs/dbraw/zinc/19/39/22/171193922.db2.gz NRPZMLRTOPBGNH-NSHDSACASA-N 0 0 227.691 2.249 10 0 BEAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccncc2)C1 ZINC000062877540 171197116 /nfs/dbraw/zinc/19/71/16/171197116.db2.gz IKWRKVOLDYCITC-CQSZACIVSA-N 0 0 248.326 2.158 10 0 BEAERN CC[C@@]1(O)CCCN1C(=O)OC(C)(C)C ZINC000077285116 171213108 /nfs/dbraw/zinc/21/31/08/171213108.db2.gz FYEUTXJZYOSEHS-LLVKDONJSA-N 0 0 215.293 2.116 10 0 in-vitro BEAERN CC[C@H](C(N)=O)c1ccccc1Br ZINC000095079499 171244817 /nfs/dbraw/zinc/24/48/17/171244817.db2.gz JGVIPFHGVABYSM-ZETCQYMHSA-N 0 0 242.116 2.428 10 0 BEAERN CC[C@H](C)C(=O)N1CCc2cc(N)ccc21 ZINC000019874571 171249486 /nfs/dbraw/zinc/24/94/86/171249486.db2.gz AQWPDAXXFWIESM-VIFPVBQESA-N 0 0 218.300 2.204 10 0 BEAERN CC[C@H](C)CC(=O)N1CCCC[C@@H](CO)C1 ZINC000365078387 171258087 /nfs/dbraw/zinc/25/80/87/171258087.db2.gz UNVRNEYLBCDJOM-NWDGAFQWSA-N 0 0 227.348 2.044 10 0 BEAERN CC[C@H](C)CSCC(=O)Nc1nc(C)no1 ZINC000124347104 171293309 /nfs/dbraw/zinc/29/33/09/171293309.db2.gz SUCPSNPHIAMGMK-ZETCQYMHSA-N 0 0 243.332 2.096 10 0 BEAERN CC[C@H](C)Cn1cc(Br)c(N)n1 ZINC000050424506 171301407 /nfs/dbraw/zinc/30/14/07/171301407.db2.gz AIHFWBMXRYSPOS-LURJTMIESA-N 0 0 232.125 2.274 10 0 BEAERN CC[C@H](C)Cn1nnnc1-c1cccc(C)c1N ZINC000054490794 171301454 /nfs/dbraw/zinc/30/14/54/171301454.db2.gz IPWAQMQHDOPEDE-VIFPVBQESA-N 0 0 245.330 2.277 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(N)ccc1F ZINC000035651524 171303875 /nfs/dbraw/zinc/30/38/75/171303875.db2.gz PNQYZONTEKWZQN-QMMMGPOBSA-N 0 0 224.279 2.278 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cccc(C)c1N ZINC000037109095 171305306 /nfs/dbraw/zinc/30/53/06/171305306.db2.gz PASKAKMPDDNSDQ-JTQLQIEISA-N 0 0 220.316 2.448 10 0 BEAERN CC[C@H](C)N(CC)C(=O)c1cc(N)cnc1C ZINC000038095088 171312085 /nfs/dbraw/zinc/31/20/85/171312085.db2.gz GWONUAHPCQTTCI-VIFPVBQESA-N 0 0 235.331 2.233 10 0 BEAERN CC[C@H](C)N(CC)c1ccc(N)c2nonc21 ZINC000035675681 171312306 /nfs/dbraw/zinc/31/23/06/171312306.db2.gz UXGUCJFEOOUCFW-QMMMGPOBSA-N 0 0 234.303 2.430 10 0 BEAERN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1O ZINC000036896782 171332605 /nfs/dbraw/zinc/33/26/05/171332605.db2.gz GAGXPHRXJFPLOO-VHSXEESVSA-N 0 0 237.299 2.074 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(C)ccc1N ZINC000050201097 171336423 /nfs/dbraw/zinc/33/64/23/171336423.db2.gz RNNGPWCEILGMBM-VIFPVBQESA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@H](C)NC(=O)c1c(C)cccc1N ZINC000022164047 171336513 /nfs/dbraw/zinc/33/65/13/171336513.db2.gz KQDPLUFLLGANDY-VIFPVBQESA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@H](C)NC(=O)c1cccc(F)c1NC ZINC000054205852 171337813 /nfs/dbraw/zinc/33/78/13/171337813.db2.gz UGPODFGWRVMKGI-QMMMGPOBSA-N 0 0 224.279 2.396 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000038066105 171345466 /nfs/dbraw/zinc/34/54/66/171345466.db2.gz VORHLZAMSMSDAD-WRWORJQWSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(=O)[O-])c1cccc(O)c1 ZINC000038066281 171348620 /nfs/dbraw/zinc/34/86/20/171348620.db2.gz HMGVSEGSGZDSCI-ZANVPECISA-N 0 0 237.299 2.080 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(C)cc1 ZINC000038065681 171348770 /nfs/dbraw/zinc/34/87/70/171348770.db2.gz HVQVPVDLIMDLFS-FZMZJTMJSA-N 0 0 234.343 2.084 10 0 BEAERN CC[C@H](C)Nc1cc(C(N)=O)ccc1F ZINC000037013298 171349421 /nfs/dbraw/zinc/34/94/21/171349421.db2.gz RETUOEVLFMRERJ-ZETCQYMHSA-N 0 0 210.252 2.135 10 0 BEAERN CC[C@H](C)Nc1ccc2c(c1)NC(=O)CO2 ZINC000020125608 171349812 /nfs/dbraw/zinc/34/98/12/171349812.db2.gz ORIKOVTZFDQIAZ-QMMMGPOBSA-N 0 0 220.272 2.228 10 0 BEAERN CC[C@H](C)Nc1ccccc1-n1cncn1 ZINC000037042182 171350484 /nfs/dbraw/zinc/35/04/84/171350484.db2.gz MOSLHZPCUBIUFR-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)OC(=O)[C@H]1Cc2ccccc2CN1 ZINC000040396649 171351195 /nfs/dbraw/zinc/35/11/95/171351195.db2.gz BKDNXJDGVDPABL-GXFFZTMASA-N 0 0 233.311 2.043 10 0 BEAERN CC[C@H](C)O[C@@H](C)C(=O)Nc1ccccc1N ZINC000048263587 171355711 /nfs/dbraw/zinc/35/57/11/171355711.db2.gz AQMYNYFFYPMRAZ-UWVGGRQHSA-N 0 0 236.315 2.411 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)N(CCC(C)C)C1CC1 ZINC000037807029 171369577 /nfs/dbraw/zinc/36/95/77/171369577.db2.gz NKWRUBYGDZDYDX-WCQYABFASA-N 0 0 240.391 2.397 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000020265819 171370122 /nfs/dbraw/zinc/37/01/22/171370122.db2.gz FLCRXCMVIFGXDZ-NWDGAFQWSA-N 0 0 226.364 2.153 10 0 BEAERN C[C@@H](NC(=O)c1ncccc1N)C1CCCCC1 ZINC000132662848 412182151 /nfs/dbraw/zinc/18/21/51/412182151.db2.gz XRCAZQFZZYNDFG-SNVBAGLBSA-N 0 0 247.342 2.362 10 0 BEAERN CC[C@H](Nc1cc(C)nc2ncnn21)C(C)C ZINC000042590914 171550541 /nfs/dbraw/zinc/55/05/41/171550541.db2.gz WDXAWFZJMPMBSF-JTQLQIEISA-N 0 0 233.319 2.279 10 0 BEAERN CC[C@@H](C)CN(CC)C(=O)c1ncccc1N ZINC000132789795 412284679 /nfs/dbraw/zinc/28/46/79/412284679.db2.gz CQSGJZAPMDLGCL-SNVBAGLBSA-N 0 0 235.331 2.172 10 0 BEAERN CCC[C@H]1CCCCN1C(=O)c1ncccc1N ZINC000132851697 412320789 /nfs/dbraw/zinc/32/07/89/412320789.db2.gz ZCSSFQHZKWJHHZ-NSHDSACASA-N 0 0 247.342 2.459 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nccn2nc(C)cc12 ZINC000229540388 171678274 /nfs/dbraw/zinc/67/82/74/171678274.db2.gz VQPBJRIPJVUSCS-UWVGGRQHSA-N 0 0 216.288 2.248 10 0 BEAERN CCc1cc(OC)c(OC)cc1C(C)=O ZINC000038302035 171771858 /nfs/dbraw/zinc/77/18/58/171771858.db2.gz TVHSGDRXUGIGFH-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCc1ccc(NC(=O)CC[C@H](C)O)cc1 ZINC000049818409 171817548 /nfs/dbraw/zinc/81/75/48/171817548.db2.gz OFDVPPOZDSUDMQ-JTQLQIEISA-N 0 0 221.300 2.349 10 0 BEAERN CCc1cccc(OCCn2cc(N)cn2)c1 ZINC000050615129 171866274 /nfs/dbraw/zinc/86/62/74/171866274.db2.gz MCYCFDYPQPPWGU-UHFFFAOYSA-N 0 0 231.299 2.107 10 0 BEAERN CCc1cccc2sc(NCCO)nc21 ZINC000045237251 171869376 /nfs/dbraw/zinc/86/93/76/171869376.db2.gz FAXYJDXXYLNPMZ-UHFFFAOYSA-N 0 0 222.313 2.263 10 0 BEAERN CCc1ccccc1NC(=O)c1ccnc(N)c1 ZINC000050699548 171888291 /nfs/dbraw/zinc/88/82/91/171888291.db2.gz LBDGXCLSGRAHJJ-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CCc1cnc2c(Br)cnn2c1 ZINC000082360176 171920117 /nfs/dbraw/zinc/92/01/17/171920117.db2.gz COGIMJZLKAFTOH-UHFFFAOYSA-N 0 0 226.077 2.054 10 0 BEAERN CCc1nc(CNCc2ccccn2)cs1 ZINC000054917999 171986361 /nfs/dbraw/zinc/98/63/61/171986361.db2.gz GHOACCUDDFANKF-UHFFFAOYSA-N 0 0 233.340 2.390 10 0 BEAERN CCc1nc([C@@H](N)c2cccnc2)sc1C ZINC000041060249 172003678 /nfs/dbraw/zinc/00/36/78/172003678.db2.gz KGVSUTKBUKFQSZ-NSHDSACASA-N 0 0 233.340 2.457 10 0 BEAERN CCc1nc([C@@H](N)c2cc(C)ccc2C)no1 ZINC000049671060 172004415 /nfs/dbraw/zinc/00/44/15/172004415.db2.gz RRTHBYSPYBPOFG-LBPRGKRZSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1nc([C@H](N)c2ccc(Cl)cc2)no1 ZINC000036762614 172007154 /nfs/dbraw/zinc/00/71/54/172007154.db2.gz FBFPCDSWQCJHSS-SNVBAGLBSA-N 0 0 237.690 2.334 10 0 BEAERN CCc1nc([C@](C)([NH3+])CCc2ccccc2)no1 ZINC000036763064 172008794 /nfs/dbraw/zinc/00/87/94/172008794.db2.gz UGEGJOKZHXHFFU-CQSZACIVSA-N 0 0 245.326 2.439 10 0 BEAERN CCc1nc2n(n1)-c1ccsc1CCC2 ZINC000039102166 172014532 /nfs/dbraw/zinc/01/45/32/172014532.db2.gz ULVVCKXTFCOJPR-UHFFFAOYSA-N 0 0 219.313 2.380 10 0 BEAERN CCc1ncc(C2N=NC(=S)O2)s1 ZINC000082688986 172015386 /nfs/dbraw/zinc/01/53/86/172015386.db2.gz XBHPHDXUNKYOPF-UHFFFAOYSA-N 0 0 213.287 2.044 10 0 BEAERN CCc1ncc(CNc2ccc(=O)n(C)c2)s1 ZINC000037924766 172021053 /nfs/dbraw/zinc/02/10/53/172021053.db2.gz BWIUWOFMBXANLL-UHFFFAOYSA-N 0 0 249.339 2.016 10 0 BEAERN CCc1nn(C)cc1N[C@@H]1CCCSC1 ZINC000134823843 172044674 /nfs/dbraw/zinc/04/46/74/172044674.db2.gz YFHHIVTYXJBYFN-SECBINFHSA-N 0 0 225.361 2.290 10 0 BEAERN CCc1nnc(-c2cc(F)c(F)cc2N)o1 ZINC000050036244 172045850 /nfs/dbraw/zinc/04/58/50/172045850.db2.gz INWWUQULKZMREZ-UHFFFAOYSA-N 0 0 225.198 2.159 10 0 BEAERN CCc1nnc(CN(C)c2ccc(C)cc2)n1C ZINC000170651398 172047774 /nfs/dbraw/zinc/04/77/74/172047774.db2.gz KIFBRDKCHFGULQ-UHFFFAOYSA-N 0 0 244.342 2.322 10 0 BEAERN CCc1nnc(CN[C@@H](C)c2ccc(C)o2)n1C ZINC000182573416 172052987 /nfs/dbraw/zinc/05/29/87/172052987.db2.gz DCYKBESOCLNWKF-JTQLQIEISA-N 0 0 248.330 2.130 10 0 BEAERN CCc1nnc(N[C@H]2C[C@@H]2CC)nc1CC ZINC000234152522 172062599 /nfs/dbraw/zinc/06/25/99/172062599.db2.gz HAQJQUDSEWMTHC-KWQFWETISA-N 0 0 220.320 2.207 10 0 BEAERN CCc1noc(-c2ccc3nc[nH]c3c2)n1 ZINC000045895024 172072585 /nfs/dbraw/zinc/07/25/85/172072585.db2.gz HVSYNXWCPSGSSC-UHFFFAOYSA-N 0 0 214.228 2.175 10 0 BEAERN CCc1noc(-c2ccccc2NC)n1 ZINC000020004622 172072786 /nfs/dbraw/zinc/07/27/86/172072786.db2.gz SBHJBPWVBJPMAA-UHFFFAOYSA-N 0 0 203.245 2.341 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H](C)SC ZINC000133167819 172082078 /nfs/dbraw/zinc/08/20/78/172082078.db2.gz MFKKRLKFQZACKB-SSDOTTSWSA-N 0 0 228.317 2.235 10 0 BEAERN CCc1noc(N)c1-c1cccc(OC)c1 ZINC000026512391 172087062 /nfs/dbraw/zinc/08/70/62/172087062.db2.gz CSPNKMVALBWPAG-UHFFFAOYSA-N 0 0 218.256 2.495 10 0 BEAERN CCc1nsc(N[C@](C)(CC)CCO)n1 ZINC000092684530 172107862 /nfs/dbraw/zinc/10/78/62/172107862.db2.gz POGANVBXEKQGDR-SNVBAGLBSA-N 0 0 229.349 2.064 10 0 BEAERN CCc1oncc1NCc1cncs1 ZINC000306853041 172127595 /nfs/dbraw/zinc/12/75/95/172127595.db2.gz SOTAOCYLCFTOMZ-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN CCn1c(C)nnc1CN(C)c1ccccc1F ZINC000170717759 172138941 /nfs/dbraw/zinc/13/89/41/172138941.db2.gz IFHJYERBPYHVHS-UHFFFAOYSA-N 0 0 248.305 2.382 10 0 BEAERN CCn1c(C)nnc1COc1ccc(C)cc1 ZINC000180307831 172140480 /nfs/dbraw/zinc/14/04/80/172140480.db2.gz CEIHZZGWBYIPTP-UHFFFAOYSA-N 0 0 231.299 2.494 10 0 BEAERN CCn1c(C)nnc1COc1ccc(OC)cc1 ZINC000180308674 172140836 /nfs/dbraw/zinc/14/08/36/172140836.db2.gz YNKVIDIXPVWDDZ-UHFFFAOYSA-N 0 0 247.298 2.194 10 0 BEAERN CCn1cc(C[C@@H](O)c2ccc(OC)cc2)cn1 ZINC000050541930 172176753 /nfs/dbraw/zinc/17/67/53/172176753.db2.gz ACLVILRRAUZHJV-CQSZACIVSA-N 0 0 246.310 2.188 10 0 BEAERN CCn1cc(C[C@@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000050543735 172176855 /nfs/dbraw/zinc/17/68/55/172176855.db2.gz NUQKKONVJUFFIB-HIFRSBDPSA-N 0 0 242.322 2.351 10 0 BEAERN CCn1cc(N)cc1C(=O)N1CCC(C)(C)CC1 ZINC000061818598 172177798 /nfs/dbraw/zinc/17/77/98/172177798.db2.gz SQILSEYQRFTNLP-UHFFFAOYSA-N 0 0 249.358 2.352 10 0 BEAERN CCn1cc(N)cc1C(=O)N[C@@H]1CCC[C@H]1C ZINC000071205156 172177892 /nfs/dbraw/zinc/17/78/92/172177892.db2.gz VDOAQZQJYMDIMC-MWLCHTKSSA-N 0 0 235.331 2.009 10 0 BEAERN CCn1cc(N)cc1C(=O)NCCC1CCCC1 ZINC000037741050 172178238 /nfs/dbraw/zinc/17/82/38/172178238.db2.gz VCMNPPYWJLTJNG-UHFFFAOYSA-N 0 0 249.358 2.400 10 0 BEAERN CCn1cc(NCC(C)(C)C)ccc1=O ZINC000041051423 172185032 /nfs/dbraw/zinc/18/50/32/172185032.db2.gz KIGVVQWUVUNPMN-UHFFFAOYSA-N 0 0 208.305 2.326 10 0 BEAERN CCn1cc(NCc2cnc(C)s2)ccc1=O ZINC000037797660 172185520 /nfs/dbraw/zinc/18/55/20/172185520.db2.gz JYYAXQUGAXXXSN-UHFFFAOYSA-N 0 0 249.339 2.245 10 0 BEAERN CCn1cc(NCc2cccc(O)c2)ccc1=O ZINC000037773708 172185883 /nfs/dbraw/zinc/18/58/83/172185883.db2.gz ONSIXYSZXIYADQ-UHFFFAOYSA-N 0 0 244.294 2.186 10 0 BEAERN CCn1cc(NCc2cnn(CC)c2C)cn1 ZINC000020350977 172186572 /nfs/dbraw/zinc/18/65/72/172186572.db2.gz TVXLYARPTUAUNT-UHFFFAOYSA-N 0 0 233.319 2.040 10 0 BEAERN CCn1cc(N[C@H](C)c2ccncc2)ccc1=O ZINC000037773778 172188320 /nfs/dbraw/zinc/18/83/20/172188320.db2.gz AEXXDVLTAIXJDW-LLVKDONJSA-N 0 0 243.310 2.436 10 0 BEAERN CCn1cc(N[C@H]2CCCC[C@@H]2OC)cn1 ZINC000037261279 172188470 /nfs/dbraw/zinc/18/84/70/172188470.db2.gz QACXSTTUYDKQIF-RYUDHWBXSA-N 0 0 223.320 2.273 10 0 BEAERN CCn1ccc(=O)c(O)c1Cc1ccc(F)cc1 ZINC000090459471 172200305 /nfs/dbraw/zinc/20/03/05/172200305.db2.gz KVUXLLYWPXZAGS-UHFFFAOYSA-N 0 0 247.269 2.304 10 0 BEAERN CCn1ccnc1[C@H](NC)c1occc1C ZINC000041048691 172230891 /nfs/dbraw/zinc/23/08/91/172230891.db2.gz JOTSZONPGUBUNB-SNVBAGLBSA-N 0 0 219.288 2.113 10 0 BEAERN CCn1cnnc1-c1ccccc1NC ZINC000054497728 172232947 /nfs/dbraw/zinc/23/29/47/172232947.db2.gz VJSQTFSCVADQTI-UHFFFAOYSA-N 0 0 202.261 2.007 10 0 BEAERN CCn1cnnc1-c1cc(Cl)ccc1N ZINC000054497684 172233904 /nfs/dbraw/zinc/23/39/04/172233904.db2.gz PFIVOEQFDWDTOU-UHFFFAOYSA-N 0 0 222.679 2.201 10 0 BEAERN CCn1nc(-c2ccccc2F)cc1N ZINC000041043638 172241274 /nfs/dbraw/zinc/24/12/74/172241274.db2.gz QVLIWGCXZGYTJS-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1nc(C)c(C(=O)N[C@H]2C[C@H]2C)c1Cl ZINC000173477897 172243468 /nfs/dbraw/zinc/24/34/68/172243468.db2.gz VRIWGWPFRHGSOK-SVRRBLITSA-N 0 0 241.722 2.003 10 0 BEAERN CN(C(=O)C1CCC1)c1cccc(N)c1 ZINC000041021915 172299299 /nfs/dbraw/zinc/29/92/99/172299299.db2.gz JXGREYVNZHHGSQ-UHFFFAOYSA-N 0 0 204.273 2.032 10 0 BEAERN CN(C(=O)CF)c1ccc(Br)cc1 ZINC000002023537 172308651 /nfs/dbraw/zinc/30/86/51/172308651.db2.gz FATGIAYGVSQXJB-UHFFFAOYSA-N 0 0 246.079 2.381 10 0 BEAERN CN(C(=O)CN1CCC[C@H]1c1ccco1)C1CC1 ZINC000116294795 172309230 /nfs/dbraw/zinc/30/92/30/172309230.db2.gz QOOQXBJDPOVJLC-LBPRGKRZSA-N 0 0 248.326 2.037 10 0 BEAERN CN(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000172300189 172321301 /nfs/dbraw/zinc/32/13/01/172321301.db2.gz IKNCJJSYKWXCKI-GFCCVEGCSA-N 0 0 246.310 2.314 10 0 BEAERN CN(C(=O)c1cc(Cl)ccc1N)C1CC1 ZINC000037080345 172338102 /nfs/dbraw/zinc/33/81/02/172338102.db2.gz ONUIFNYMSACHGG-UHFFFAOYSA-N 0 0 224.691 2.157 10 0 BEAERN CN(C(=O)c1cccnc1N)C1CCCCCC1 ZINC000050703893 172343740 /nfs/dbraw/zinc/34/37/40/172343740.db2.gz FZCGIBCIIYQUAW-UHFFFAOYSA-N 0 0 247.342 2.459 10 0 BEAERN CN(C(=O)c1csc(N)n1)C1CCCCC1 ZINC000055177349 172348074 /nfs/dbraw/zinc/34/80/74/172348074.db2.gz QBKOGJOGKSYVLR-UHFFFAOYSA-N 0 0 239.344 2.130 10 0 BEAERN CN(C)C(=O)/C=C1\CCc2c1cc(F)cc2F ZINC000027406249 172353810 /nfs/dbraw/zinc/35/38/10/172353810.db2.gz PNYKUCDJFOGNHA-VMPITWQZSA-N 0 0 237.249 2.383 10 0 BEAERN CN(C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000115363692 172377476 /nfs/dbraw/zinc/37/74/76/172377476.db2.gz UGGWKCCBFQGDHI-SECBINFHSA-N 0 0 239.344 2.352 10 0 BEAERN CN(C)C(=O)NSCc1cccc(Cl)n1 ZINC000211834221 172380774 /nfs/dbraw/zinc/38/07/74/172380774.db2.gz ZGLHHWWQDBNOJL-UHFFFAOYSA-N 0 0 245.735 2.154 10 0 BEAERN CN(C)C(=O)Nc1ccc(Cl)cc1O ZINC000005957297 172381856 /nfs/dbraw/zinc/38/18/56/172381856.db2.gz DNSFPBQZUFGMGC-UHFFFAOYSA-N 0 0 214.652 2.139 10 0 BEAERN CN(C)C(=O)c1cc(CC2CC2)ccc1O ZINC000095711418 172387387 /nfs/dbraw/zinc/38/73/87/172387387.db2.gz NKZNFMOTMOMRFJ-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1cc(F)ccc1OC1CC1 ZINC000095723539 172389059 /nfs/dbraw/zinc/38/90/59/172389059.db2.gz AVKAXHRCMIBUAO-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(CC1CC(O)C1)C(=O)C1CCCCCC1 ZINC000091461410 172643821 /nfs/dbraw/zinc/64/38/21/172643821.db2.gz YYXNWRLDKFVZPC-UHFFFAOYSA-N 0 0 239.359 2.186 10 0 BEAERN CN(CC1CCOCC1)c1ccccc1C=O ZINC000104201128 172663189 /nfs/dbraw/zinc/66/31/89/172663189.db2.gz UFDGNEDFSCXVBD-UHFFFAOYSA-N 0 0 233.311 2.362 10 0 BEAERN CN(CCC1CC1)C(=O)c1cnn2c1CCCC2 ZINC000127708072 172684069 /nfs/dbraw/zinc/68/40/69/172684069.db2.gz IPQSTOMEVPWAFN-UHFFFAOYSA-N 0 0 247.342 2.092 10 0 BEAERN CN(CCn1cccn1)C(=O)Nc1ccccc1 ZINC000111423048 172797848 /nfs/dbraw/zinc/79/78/48/172797848.db2.gz VVWNUYJFGRSLIW-UHFFFAOYSA-N 0 0 244.298 2.047 10 0 BEAERN CN(Cc1ccccn1)c1ccc(F)cc1N ZINC000036777502 172882784 /nfs/dbraw/zinc/88/27/84/172882784.db2.gz SAXWMXZVRXTNJT-UHFFFAOYSA-N 0 0 231.274 2.439 10 0 BEAERN C[N@H+](Cc1ccoc1)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062755040 172903217 /nfs/dbraw/zinc/90/32/17/172903217.db2.gz BJRWNERMRMTYAM-RYUDHWBXSA-N 0 0 237.299 2.355 10 0 BEAERN CN1CCCC[C@H]1CNc1nsnc1Cl ZINC000044565921 173009952 /nfs/dbraw/zinc/00/99/52/173009952.db2.gz PZYARMFFQNNURB-ZETCQYMHSA-N 0 0 246.767 2.088 10 0 BEAERN CN1CCN(C)C1c1ccc(Cl)cc1 ZINC000019319916 173073002 /nfs/dbraw/zinc/07/30/02/173073002.db2.gz WEAVUIXCKWTMNE-UHFFFAOYSA-N 0 0 210.708 2.216 10 0 BEAERN CN1CCc2csc(Br)c2C1 ZINC000082345075 173173487 /nfs/dbraw/zinc/17/34/87/173173487.db2.gz YDMRYERGEXQLJS-UHFFFAOYSA-N 0 0 232.146 2.499 10 0 BEAERN CN1C[C@H](c2ccc(Cl)cc2)OC1=O ZINC000041225854 173196407 /nfs/dbraw/zinc/19/64/07/173196407.db2.gz MNOTYBPUSYMAES-SECBINFHSA-N 0 0 211.648 2.463 10 0 BEAERN CNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000049817142 173235006 /nfs/dbraw/zinc/23/50/06/173235006.db2.gz IEAUMCRMQSKBPO-UHFFFAOYSA-N 0 0 219.284 2.012 10 0 BEAERN CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000133034106 173244203 /nfs/dbraw/zinc/24/42/03/173244203.db2.gz MQEZXUYWORNKAY-UHFFFAOYSA-N 0 0 213.227 2.034 10 0 BEAERN CNC(=O)CCOc1ccc2ccc(O)cc2c1 ZINC000051761081 173261877 /nfs/dbraw/zinc/26/18/77/173261877.db2.gz RVTBOAUGSOMVBP-UHFFFAOYSA-N 0 0 245.278 2.060 10 0 BEAERN CNC(=O)CNc1ccc(C(C)(C)C)cc1 ZINC000020042562 173278603 /nfs/dbraw/zinc/27/86/03/173278603.db2.gz RCAMSQNYLXNRBY-UHFFFAOYSA-N 0 0 220.316 2.142 10 0 BEAERN CNC(=O)CNc1cc(Cl)ccc1Cl ZINC000015289093 173278803 /nfs/dbraw/zinc/27/88/03/173278803.db2.gz NIOXVJKLPCWPOG-UHFFFAOYSA-N 0 0 233.098 2.151 10 0 BEAERN CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000053491859 173284529 /nfs/dbraw/zinc/28/45/29/173284529.db2.gz ZXRBYVJDFUTLEK-UHFFFAOYSA-N 0 0 212.680 2.111 10 0 BEAERN CNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000048487169 173292536 /nfs/dbraw/zinc/29/25/36/173292536.db2.gz ACJSEZDNNIZYNV-SSDOTTSWSA-N 0 0 212.680 2.330 10 0 BEAERN CNC(=O)Oc1cccc(Br)c1 ZINC000005700420 173293244 /nfs/dbraw/zinc/29/32/44/173293244.db2.gz OBHYWLDQVOJAMW-UHFFFAOYSA-N 0 0 230.061 2.167 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000020308158 173295477 /nfs/dbraw/zinc/29/54/77/173295477.db2.gz DOHAOCSLEHGMEL-SNVBAGLBSA-N 0 0 220.316 2.356 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(C)cc1Cl ZINC000020306629 173303892 /nfs/dbraw/zinc/30/38/92/173303892.db2.gz NSGAOSVRHXVAEJ-QMMMGPOBSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@H](C)Nc1cc(Cl)ccc1C ZINC000020306750 173304057 /nfs/dbraw/zinc/30/40/57/173304057.db2.gz HPCZSCMXRXKNGD-QMMMGPOBSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)c1ccc(C(C)(C)C)cc1O ZINC000095712296 173310557 /nfs/dbraw/zinc/31/05/57/173310557.db2.gz SVGRRSWKERNEIE-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1ccc(SC)c(OC2CC2)c1 ZINC000095722621 173311363 /nfs/dbraw/zinc/31/13/63/173311363.db2.gz AQTBEIARVAPSDR-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1cccc(NC2CCCC2)c1 ZINC000020124565 173311574 /nfs/dbraw/zinc/31/15/74/173311574.db2.gz PXBYYHRFBQRJDB-UHFFFAOYSA-N 0 0 218.300 2.401 10 0 BEAERN CNC(=O)c1cccc(NCc2ccc[nH]2)c1C ZINC000051788914 173311642 /nfs/dbraw/zinc/31/16/42/173311642.db2.gz IZHZJQFORQSMMP-UHFFFAOYSA-N 0 0 243.310 2.295 10 0 BEAERN CNC(=O)c1cccc(NCc2ccccn2)c1 ZINC000020124734 173311912 /nfs/dbraw/zinc/31/19/12/173311912.db2.gz XOUYOUNZTXPIDA-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN CNC(=O)c1cccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)c1 ZINC000037219676 173312104 /nfs/dbraw/zinc/31/21/04/173312104.db2.gz ZQJCAXPPAXHCNA-LEWSCRJBSA-N 0 0 242.322 2.423 10 0 BEAERN CNC1(C(=O)OC)CCC(C(C)(C)C)CC1 ZINC000037447853 173320699 /nfs/dbraw/zinc/32/06/99/173320699.db2.gz PSVXADXGVRXFCR-UHFFFAOYSA-N 0 0 227.348 2.354 10 0 BEAERN CNC(C)(C)c1nc(Cc2cccs2)no1 ZINC000061151475 173321425 /nfs/dbraw/zinc/32/14/25/173321425.db2.gz JLLCUVIXAHIJBX-UHFFFAOYSA-N 0 0 237.328 2.176 10 0 BEAERN CNCc1noc(-c2c(F)cccc2Cl)n1 ZINC000051848539 173398543 /nfs/dbraw/zinc/39/85/43/173398543.db2.gz AKHMEWOEOZRCCE-UHFFFAOYSA-N 0 0 241.653 2.249 10 0 BEAERN CNCc1noc(-c2ccc3ncccc3c2)n1 ZINC000061418882 173399401 /nfs/dbraw/zinc/39/94/01/173399401.db2.gz LQXZFEJOMXRGDB-UHFFFAOYSA-N 0 0 240.266 2.004 10 0 BEAERN CN[C@@H](Cc1cccs1)C(F)(F)F ZINC000082717456 173425633 /nfs/dbraw/zinc/42/56/33/173425633.db2.gz FBRKFKNQQOSWPZ-ZETCQYMHSA-N 0 0 209.236 2.441 10 0 BEAERN CN[C@H](c1ccc(F)c(C)c1)c1ncccn1 ZINC000055224797 173456692 /nfs/dbraw/zinc/45/66/92/173456692.db2.gz OIFVZAPNDZHFSN-GFCCVEGCSA-N 0 0 231.274 2.233 10 0 BEAERN C[NH2+][C@]1(C(=O)[O-])CCCC[C@@H]1C(C)(C)C ZINC000037180453 173470032 /nfs/dbraw/zinc/47/00/32/173470032.db2.gz BNBWATFMRDGZIW-BXKDBHETSA-N 0 0 213.321 2.266 10 0 BEAERN CNc1cc(-c2cc(OC)ccc2OC)ncn1 ZINC000061902705 173471797 /nfs/dbraw/zinc/47/17/97/173471797.db2.gz OPAXKVLSGWXYGD-UHFFFAOYSA-N 0 0 245.282 2.203 10 0 BEAERN CNc1cc(C)c(-c2ccc(O)cc2)nn1 ZINC000054931047 173472758 /nfs/dbraw/zinc/47/27/58/173472758.db2.gz SEOWOMQKOYRUSM-UHFFFAOYSA-N 0 0 215.256 2.199 10 0 BEAERN CNc1nc(-c2cc(F)ccc2C)no1 ZINC000053750128 173485008 /nfs/dbraw/zinc/48/50/08/173485008.db2.gz FMCJBZTUDXXIQD-UHFFFAOYSA-N 0 0 207.208 2.226 10 0 BEAERN COC(=O)C(C)(C)Nc1cccc(F)c1 ZINC000037961964 173507651 /nfs/dbraw/zinc/50/76/51/173507651.db2.gz FZMLVBNITYRDFV-UHFFFAOYSA-N 0 0 211.236 2.189 10 0 BEAERN COC(=O)Cc1csc(-c2cccc(O)c2)n1 ZINC000049836834 173642984 /nfs/dbraw/zinc/64/29/84/173642984.db2.gz GOSXDEFFCSSYMG-UHFFFAOYSA-N 0 0 249.291 2.231 10 0 BEAERN COC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000103085173 173664226 /nfs/dbraw/zinc/66/42/26/173664226.db2.gz SZGZFEBUHDNNMF-KCJUWKMLSA-N 0 0 248.282 2.003 10 0 BEAERN COC(=O)[C@@H](C(C)C)n1c(C)ccc1C ZINC000043437053 173665508 /nfs/dbraw/zinc/66/55/08/173665508.db2.gz MAXJHEGEOJWPNZ-LLVKDONJSA-N 0 0 209.289 2.475 10 0 BEAERN COC(=O)[C@H](NC1CCCC1)c1cccc(O)c1 ZINC000037970248 173802444 /nfs/dbraw/zinc/80/24/44/173802444.db2.gz PDXUGHWLUXDQPC-CYBMUJFWSA-N 0 0 249.310 2.139 10 0 BEAERN COC(=O)[C@H](NC(C)C)c1ccc(F)cc1C ZINC000050579827 173803246 /nfs/dbraw/zinc/80/32/46/173803246.db2.gz KHTBPKBSPLCGDC-GFCCVEGCSA-N 0 0 239.290 2.346 10 0 BEAERN COC(=O)[C@H](Nc1ccc(OC)cc1)C(C)C ZINC000039320234 173807084 /nfs/dbraw/zinc/80/70/84/173807084.db2.gz VPESQHFPKWVFHH-GFCCVEGCSA-N 0 0 237.299 2.305 10 0 BEAERN COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109153627 173829308 /nfs/dbraw/zinc/82/93/08/173829308.db2.gz KFESTBSZFJPKJP-YUMQZZPRSA-N 0 0 212.195 2.241 10 0 BEAERN COC(=O)c1c(C)cc(O)c(C(C)C)c1O ZINC000082291620 173843215 /nfs/dbraw/zinc/84/32/15/173843215.db2.gz FYABGOAATSMBCV-UHFFFAOYSA-N 0 0 224.256 2.316 10 0 BEAERN COC(=O)c1c[nH]c2c1cc(F)cc2F ZINC000095935667 173845616 /nfs/dbraw/zinc/84/56/16/173845616.db2.gz MSEWYDOGKHOHAA-UHFFFAOYSA-N 0 0 211.167 2.233 10 0 BEAERN COC(=O)c1cc(OC(F)F)ccc1C ZINC000044713455 173861218 /nfs/dbraw/zinc/86/12/18/173861218.db2.gz DPUWIOBMPPRIJK-UHFFFAOYSA-N 0 0 216.183 2.383 10 0 BEAERN COC(=O)c1ccc(-n2cccn2)c(Cl)c1 ZINC000095929691 173867530 /nfs/dbraw/zinc/86/75/30/173867530.db2.gz VOEATPFZUYWIFB-UHFFFAOYSA-N 0 0 236.658 2.312 10 0 BEAERN COC(=O)c1ccc2c(Cl)n[nH]c2c1 ZINC000031776822 173889028 /nfs/dbraw/zinc/88/90/28/173889028.db2.gz NVMLKYWQRQHYLQ-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN COC(C)(C)C[C@@](C)([NH2+]C1CCCC1)C(=O)[O-] ZINC000037968969 173947284 /nfs/dbraw/zinc/94/72/84/173947284.db2.gz DOIMMTQJJGAZDE-CYBMUJFWSA-N 0 0 243.347 2.177 10 0 BEAERN COC(CCOCc1ccccc1)OC ZINC000095093116 173957537 /nfs/dbraw/zinc/95/75/37/173957537.db2.gz PHWKICWDLSTDBH-UHFFFAOYSA-N 0 0 210.273 2.212 10 0 BEAERN COC(CNc1cccc2cccnc21)OC ZINC000104240994 173962737 /nfs/dbraw/zinc/96/27/37/173962737.db2.gz MEDVTINTCDVYQG-UHFFFAOYSA-N 0 0 232.283 2.266 10 0 BEAERN COCC(=O)c1ccc2c(c1)CCCC2 ZINC000036181942 174062357 /nfs/dbraw/zinc/06/23/57/174062357.db2.gz IHCFFXYUDDDWGY-UHFFFAOYSA-N 0 0 204.269 2.395 10 0 BEAERN COCC1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000112431574 174118993 /nfs/dbraw/zinc/11/89/93/174118993.db2.gz HNDMCUTVGFEVMQ-LLVKDONJSA-N 0 0 242.363 2.099 10 0 BEAERN COCCCN(C)C(=O)CCc1ccc(C)cc1 ZINC000125561471 174211556 /nfs/dbraw/zinc/21/15/56/174211556.db2.gz AWQJPYWTMDQZEH-UHFFFAOYSA-N 0 0 249.354 2.423 10 0 BEAERN COCCCN(C)c1c(F)cc(C=O)cc1F ZINC000062708289 174220551 /nfs/dbraw/zinc/22/05/51/174220551.db2.gz XXVLDTBDSVEKMN-UHFFFAOYSA-N 0 0 243.253 2.250 10 0 BEAERN COCCCNC(=O)CCCc1ccc(C)cc1 ZINC000040644388 174236551 /nfs/dbraw/zinc/23/65/51/174236551.db2.gz UBRAJRGICFUUHS-UHFFFAOYSA-N 0 0 249.354 2.470 10 0 BEAERN COCCCNc1cc(C)ccc1OC ZINC000037753696 174251041 /nfs/dbraw/zinc/25/10/41/174251041.db2.gz BLRUGPIBXUCIOY-UHFFFAOYSA-N 0 0 209.289 2.452 10 0 BEAERN COCCCNc1ccc2c(c1)OC(F)(F)O2 ZINC000037753689 174252191 /nfs/dbraw/zinc/25/21/91/174252191.db2.gz OTXJNAZFDLRXDO-UHFFFAOYSA-N 0 0 245.225 2.457 10 0 BEAERN COCCCNc1ccc(C(C)=O)cc1 ZINC000041215880 174252362 /nfs/dbraw/zinc/25/23/62/174252362.db2.gz REXNWXOENNJMTG-UHFFFAOYSA-N 0 0 207.273 2.338 10 0 BEAERN COCCCc1cc(C=O)c(Cl)cn1 ZINC000090556082 174265767 /nfs/dbraw/zinc/26/57/67/174265767.db2.gz IMWANAFPOIDMHU-UHFFFAOYSA-N 0 0 213.664 2.127 10 0 BEAERN COCCCn1ccnc1-c1ccc(N)cc1 ZINC000037974143 174266433 /nfs/dbraw/zinc/26/64/33/174266433.db2.gz LETWOUIEWUKOJE-UHFFFAOYSA-N 0 0 231.299 2.169 10 0 BEAERN COCCN(c1cccc(F)n1)[C@H](C)C1CC1 ZINC000042690456 174302469 /nfs/dbraw/zinc/30/24/69/174302469.db2.gz RVSYJSMEWLPAIY-SNVBAGLBSA-N 0 0 238.306 2.472 10 0 BEAERN COCCN(c1ccccc1[C@@H](C)O)C1CC1 ZINC000042518792 174303048 /nfs/dbraw/zinc/30/30/48/174303048.db2.gz PCLSWFCOOWHLPC-LLVKDONJSA-N 0 0 235.327 2.355 10 0 BEAERN COCCNc1ccc(N)c(C(F)(F)F)c1 ZINC000034939550 174341154 /nfs/dbraw/zinc/34/11/54/174341154.db2.gz GSTBSOCRTSHJSH-UHFFFAOYSA-N 0 0 234.221 2.346 10 0 BEAERN COCCNc1c(F)c(F)c(F)c(F)c1F ZINC000020557449 174341265 /nfs/dbraw/zinc/34/12/65/174341265.db2.gz WLSCFCOTOGENGQ-UHFFFAOYSA-N 0 0 241.159 2.440 10 0 BEAERN COCCNc1nccc2sccc21 ZINC000035687674 174342664 /nfs/dbraw/zinc/34/26/64/174342664.db2.gz OVONBAPISJYSJA-UHFFFAOYSA-N 0 0 208.286 2.355 10 0 BEAERN COCCSc1cc(N)cc(F)c1 ZINC000037668196 174376556 /nfs/dbraw/zinc/37/65/56/174376556.db2.gz GPWXBVRKBDCXJL-UHFFFAOYSA-N 0 0 201.266 2.146 10 0 BEAERN COC[C@@H](C)C(=O)N(C)C1CCCCCC1 ZINC000103362764 174434487 /nfs/dbraw/zinc/43/44/87/174434487.db2.gz ITBOYJVZGIBGTE-LLVKDONJSA-N 0 0 227.348 2.450 10 0 BEAERN COC[C@@H](C)C(=O)N(CCC(C)C)C1CC1 ZINC000103372557 174434801 /nfs/dbraw/zinc/43/48/01/174434801.db2.gz HWWFYMTUCXNODV-LLVKDONJSA-N 0 0 227.348 2.306 10 0 BEAERN COC[C@@H](C)N(C)c1cccc(N)c1C ZINC000062724921 174448631 /nfs/dbraw/zinc/44/86/31/174448631.db2.gz XJNQPOOJJYGDKJ-SECBINFHSA-N 0 0 208.305 2.048 10 0 BEAERN COC[C@@H](C)N(C)c1cc(N)ccc1C ZINC000053735256 174449089 /nfs/dbraw/zinc/44/90/89/174449089.db2.gz FBJHOUHLZAONOL-SNVBAGLBSA-N 0 0 208.305 2.048 10 0 BEAERN COC[C@@H](C)Nc1ccc(Cl)cc1N ZINC000020382449 174461329 /nfs/dbraw/zinc/46/13/29/174461329.db2.gz KZBCLWOFMXAJSR-SSDOTTSWSA-N 0 0 214.696 2.369 10 0 BEAERN COC[C@H](C)C(=O)NC1(Cc2ccccc2)CC1 ZINC000186273746 174526234 /nfs/dbraw/zinc/52/62/34/174526234.db2.gz SFTXEBJUMYHSQY-LBPRGKRZSA-N 0 0 247.338 2.160 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000103356055 174528261 /nfs/dbraw/zinc/52/82/61/174528261.db2.gz MREDJXPUWMFMRJ-QMMMGPOBSA-N 0 0 211.236 2.047 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000103356969 174528454 /nfs/dbraw/zinc/52/84/54/174528454.db2.gz AOACQBFNLREASH-ZETCQYMHSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@H](C)C(=O)Nc1cnc2ccccc2c1 ZINC000103363523 174528724 /nfs/dbraw/zinc/52/87/24/174528724.db2.gz WAUKNJNJVNPASW-JTQLQIEISA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@H](C)C(=O)Nc1cnc(Cl)cc1C ZINC000135994884 174528845 /nfs/dbraw/zinc/52/88/45/174528845.db2.gz RUVJBMWMBUSBLQ-QMMMGPOBSA-N 0 0 242.706 2.264 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000103358939 174529029 /nfs/dbraw/zinc/52/90/29/174529029.db2.gz IZKBDKWMJAQQOS-JTQLQIEISA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@H](C)Nc1ccc(N)c2ncccc12 ZINC000035340524 174553266 /nfs/dbraw/zinc/55/32/66/174553266.db2.gz UNMKLJZLIZIQSY-VIFPVBQESA-N 0 0 231.299 2.264 10 0 BEAERN COCc1cc(N)c2cc(F)c(F)cc2n1 ZINC000051698487 174619323 /nfs/dbraw/zinc/61/93/23/174619323.db2.gz BWOPXYFDYPGAAM-UHFFFAOYSA-N 0 0 224.210 2.242 10 0 BEAERN COCc1cc(N)nc(C2CCCCC2)n1 ZINC000051697352 174620143 /nfs/dbraw/zinc/62/01/43/174620143.db2.gz QYRLMHGJPOMSSZ-UHFFFAOYSA-N 0 0 221.304 2.253 10 0 BEAERN COCc1cccc(CNC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075981542 174630809 /nfs/dbraw/zinc/63/08/09/174630809.db2.gz LMMTYTTWFFUSET-GXFFZTMASA-N 0 0 248.326 2.041 10 0 BEAERN COCc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000129587502 174632112 /nfs/dbraw/zinc/63/21/12/174632112.db2.gz NZNSWQMXBCXSTQ-MFKMUULPSA-N 0 0 249.310 2.339 10 0 BEAERN COCc1nc2sc(C)c(C)c2c(N)n1 ZINC000048413612 174642576 /nfs/dbraw/zinc/64/25/76/174642576.db2.gz AJUQPFJBSCTEMA-UHFFFAOYSA-N 0 0 223.301 2.037 10 0 BEAERN COCc1noc(-c2ccc(N)cc2Cl)n1 ZINC000049672047 174648076 /nfs/dbraw/zinc/64/80/76/174648076.db2.gz SBQOVMJWRRTWLC-UHFFFAOYSA-N 0 0 239.662 2.119 10 0 BEAERN CONCc1ccc(Br)s1 ZINC000070270681 174668791 /nfs/dbraw/zinc/66/87/91/174668791.db2.gz FDWQEFWZAXDECA-UHFFFAOYSA-N 0 0 222.107 2.162 10 0 BEAERN CO[C@@H](C)CCC(=O)OCc1cncs1 ZINC000129603634 174686723 /nfs/dbraw/zinc/68/67/23/174686723.db2.gz SWYVPHRBWVSUNJ-QMMMGPOBSA-N 0 0 229.301 2.001 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2cncc(C)n2)C1 ZINC000302176583 174747542 /nfs/dbraw/zinc/74/75/42/174747542.db2.gz WNGZKIZWTPXWDG-GHMZBOCLSA-N 0 0 221.304 2.155 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1nccn2nc(C)cc12 ZINC000129362460 174882047 /nfs/dbraw/zinc/88/20/47/174882047.db2.gz VIGKMZSPJJZJEA-JQWIXIFHSA-N 0 0 246.314 2.017 10 0 BEAERN COc1c(C)oc2cc(C)ccc2c1=O ZINC000036404957 174926876 /nfs/dbraw/zinc/92/68/76/174926876.db2.gz DFHXXMIEKMRRSY-UHFFFAOYSA-N 0 0 204.225 2.418 10 0 BEAERN COc1cc(C)c(C(=O)C=O)cc1Cl ZINC000077305187 174954612 /nfs/dbraw/zinc/95/46/12/174954612.db2.gz WYMBEYNGECKTCO-UHFFFAOYSA-N 0 0 212.632 2.039 10 0 BEAERN COc1cc(C)c(CCO)cc1Cl ZINC000082531398 174957945 /nfs/dbraw/zinc/95/79/45/174957945.db2.gz XODKGLSWIALRTB-UHFFFAOYSA-N 0 0 200.665 2.192 10 0 BEAERN COc1cc(Cl)ccc1-c1nnc(N)s1 ZINC000043565641 174990000 /nfs/dbraw/zinc/99/00/00/174990000.db2.gz GOTCIAWNWWSUEL-UHFFFAOYSA-N 0 0 241.703 2.449 10 0 BEAERN COc1cc(NCCCCSC)ncn1 ZINC000119190405 175001407 /nfs/dbraw/zinc/00/14/07/175001407.db2.gz PIEODZLSKLNQKJ-UHFFFAOYSA-N 0 0 227.333 2.040 10 0 BEAERN COc1cc(NC2COC2)c(OC)cc1Cl ZINC000082487831 175001849 /nfs/dbraw/zinc/00/18/49/175001849.db2.gz LGOISGKOAAACNX-UHFFFAOYSA-N 0 0 243.690 2.168 10 0 BEAERN COc1cc(NC[C@H]2CCOC2)cc(OC)c1 ZINC000019909688 175002633 /nfs/dbraw/zinc/00/26/33/175002633.db2.gz QEKWDEBDRVGEOL-SNVBAGLBSA-N 0 0 237.299 2.152 10 0 BEAERN COc1cc(OC)c(Br)cc1O ZINC000036181638 175006080 /nfs/dbraw/zinc/00/60/80/175006080.db2.gz JQJSXAIBYAPDHO-UHFFFAOYSA-N 0 0 233.061 2.172 10 0 BEAERN COc1cc(OC)c([C@@H](C)O)cc1Cl ZINC000012506384 175007978 /nfs/dbraw/zinc/00/79/78/175007978.db2.gz IMTBCHYABOCEOK-ZCFIWIBFSA-N 0 0 216.664 2.411 10 0 BEAERN COc1cc(OC)c2c(c1)OC(=O)C[C@H]2C ZINC000021995708 175009017 /nfs/dbraw/zinc/00/90/17/175009017.db2.gz XPWNEOPWBLVXTD-SSDOTTSWSA-N 0 0 222.240 2.116 10 0 BEAERN COc1cc(OC)cc(OCC(C)(C)CO)c1 ZINC000041283654 175010102 /nfs/dbraw/zinc/01/01/02/175010102.db2.gz PZPVLUCOBFOBFN-UHFFFAOYSA-N 0 0 240.299 2.101 10 0 BEAERN COc1cc(OC)cc(OCCCCCO)c1 ZINC000070143693 175010473 /nfs/dbraw/zinc/01/04/73/175010473.db2.gz GCRWZDPDAWLLAQ-UHFFFAOYSA-N 0 0 240.299 2.245 10 0 BEAERN COc1cc(OC2CC2)c(SC)cn1 ZINC000095729953 175012621 /nfs/dbraw/zinc/01/26/21/175012621.db2.gz DDIDRBNSGWKPQE-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cc2c(C=O)cn(C)c2c(OC)c1OC ZINC000058823891 175018547 /nfs/dbraw/zinc/01/85/47/175018547.db2.gz IXPCQXHVBAYVFA-UHFFFAOYSA-N 0 0 249.266 2.017 10 0 BEAERN COc1cc2c(C)ncc(O)c2cc1OC ZINC000071624985 175019879 /nfs/dbraw/zinc/01/98/79/175019879.db2.gz YOINPNZLLIERSP-UHFFFAOYSA-N 0 0 219.240 2.266 10 0 BEAERN COc1cc2c(c(C=O)cn2C)c(OC)c1OC ZINC000058823885 175019991 /nfs/dbraw/zinc/01/99/91/175019991.db2.gz YKQBGCWYXILFRE-UHFFFAOYSA-N 0 0 249.266 2.017 10 0 BEAERN COc1cc2c(cc1OC)C(=O)CCCN2 ZINC000095626888 175023813 /nfs/dbraw/zinc/02/38/13/175023813.db2.gz GDACJQSKMUVDBX-UHFFFAOYSA-N 0 0 221.256 2.092 10 0 BEAERN COc1cc2c(cc1OC)NC(C)(C)CN2 ZINC000057923085 175024567 /nfs/dbraw/zinc/02/45/67/175024567.db2.gz SMFVLKILYGSVQJ-UHFFFAOYSA-N 0 0 222.288 2.320 10 0 BEAERN COc1cc2cc(=O)[nH]c(C)c2c(OC)c1OC ZINC000028767530 175026828 /nfs/dbraw/zinc/02/68/28/175026828.db2.gz PLYOONSJWNZCMS-UHFFFAOYSA-N 0 0 249.266 2.275 10 0 BEAERN COc1cncc2cc(OC)c(OC)cc21 ZINC000039119755 175027336 /nfs/dbraw/zinc/02/73/36/175027336.db2.gz GZYGFGXEJLWASG-UHFFFAOYSA-N 0 0 219.240 2.261 10 0 BEAERN COc1cc2cnccc2c(OC)c1OC ZINC000038221407 175027395 /nfs/dbraw/zinc/02/73/95/175027395.db2.gz OEJOVFSDPNFRGL-UHFFFAOYSA-N 0 0 219.240 2.261 10 0 BEAERN COc1ccc(-c2cc(=O)cco2)cc1 ZINC000084652443 175029929 /nfs/dbraw/zinc/02/99/29/175029929.db2.gz DUMAXTHDBMXXFW-UHFFFAOYSA-N 0 0 202.209 2.315 10 0 BEAERN COc1ccc(-c2cc(N)nc(C)n2)c(OC)c1 ZINC000071559730 175031737 /nfs/dbraw/zinc/03/17/37/175031737.db2.gz OZCPWUHPYPKDAF-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(-c2csc(=O)[nH]2)cc1OC ZINC000034669794 175037617 /nfs/dbraw/zinc/03/76/17/175037617.db2.gz MUKLXQLQIBNTRJ-UHFFFAOYSA-N 0 0 237.280 2.121 10 0 BEAERN COc1ccc(-c2nc(C(C)=O)c[nH]2)cc1F ZINC000077367937 175039066 /nfs/dbraw/zinc/03/90/66/175039066.db2.gz FQRUFIYUFJSAQN-UHFFFAOYSA-N 0 0 234.230 2.427 10 0 BEAERN COc1ccc(-c2nccc(N)n2)cc1C ZINC000050867351 175040914 /nfs/dbraw/zinc/04/09/14/175040914.db2.gz KMXROHCQWTXDGQ-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccc(-n2ncc3c2CCC[C@@H]3O)cc1 ZINC000072415641 175045169 /nfs/dbraw/zinc/04/51/69/175045169.db2.gz HOJAHEXFUJMXON-AWEZNQCLSA-N 0 0 244.294 2.251 10 0 BEAERN COc1ccc(/C=C/C2OCCO2)cc1 ZINC000044227886 175047057 /nfs/dbraw/zinc/04/70/57/175047057.db2.gz IBYAEVIDXHRTGE-QPJJXVBHSA-N 0 0 206.241 2.081 10 0 BEAERN COc1ccc(C(=O)N2CCCC[C@@H]2C)c(N)c1 ZINC000082697686 175055510 /nfs/dbraw/zinc/05/55/10/175055510.db2.gz DZCCTFFCIFKYIV-JTQLQIEISA-N 0 0 248.326 2.292 10 0 BEAERN COc1ccc(C)cc1-c1cc(CO)no1 ZINC000036159896 175071293 /nfs/dbraw/zinc/07/12/93/175071293.db2.gz FGKZBBXTJNVFAM-UHFFFAOYSA-N 0 0 219.240 2.151 10 0 BEAERN COc1ccc(C)cc1Cn1ccnc1C=O ZINC000051003377 175076555 /nfs/dbraw/zinc/07/65/55/175076555.db2.gz IIFQBVSTSPUNKR-UHFFFAOYSA-N 0 0 230.267 2.061 10 0 BEAERN COc1ccc(C)cc1NC(=O)Cn1cccc1 ZINC000006805554 175077898 /nfs/dbraw/zinc/07/78/98/175077898.db2.gz BLZOOOOWGFZYML-UHFFFAOYSA-N 0 0 244.294 2.444 10 0 BEAERN COc1ccc(C)cc1NC[C@@H]1CCOC1 ZINC000019914523 175078673 /nfs/dbraw/zinc/07/86/73/175078673.db2.gz KFCWAKYVVBGSQH-NSHDSACASA-N 0 0 221.300 2.452 10 0 BEAERN COc1ccc(C)cc1[C@@H](O)[C@@H]1CCCOC1 ZINC000062240122 175080604 /nfs/dbraw/zinc/08/06/04/175080604.db2.gz SXTSWANDWAPOIG-RISCZKNCSA-N 0 0 236.311 2.464 10 0 BEAERN COc1ccc(C)cc1[C@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000077427166 175081794 /nfs/dbraw/zinc/08/17/94/175081794.db2.gz NQYCKOHYNSRPRX-ZDUSSCGKSA-N 0 0 249.310 2.129 10 0 BEAERN COc1ccc(C)cc1[C@H](O)[C@@H]1CCCOC1 ZINC000062240115 175082053 /nfs/dbraw/zinc/08/20/53/175082053.db2.gz SXTSWANDWAPOIG-BXUZGUMPSA-N 0 0 236.311 2.464 10 0 BEAERN COc1ccc(CCCCNC(C)=O)cc1 ZINC000013755759 175089990 /nfs/dbraw/zinc/08/99/90/175089990.db2.gz LVYMOVTZLJWRRD-UHFFFAOYSA-N 0 0 221.300 2.154 10 0 BEAERN COc1ccc(CNc2c(C)n[nH]c2C)cc1O ZINC000036736185 175112661 /nfs/dbraw/zinc/11/26/61/175112661.db2.gz UMTPDKUALFMPFL-UHFFFAOYSA-N 0 0 247.298 2.353 10 0 BEAERN COc1ccc(C[C@@H](C)C(C)=O)cc1OC ZINC000041239793 175115045 /nfs/dbraw/zinc/11/50/45/175115045.db2.gz WCNQEKBOFSDJMH-SECBINFHSA-N 0 0 222.284 2.471 10 0 BEAERN COc1ccc(Cl)c2c1[C@H](C)C(=O)N2 ZINC000105904923 175119035 /nfs/dbraw/zinc/11/90/35/175119035.db2.gz QDQHEGPAYBOCPW-YFKPBYRVSA-N 0 0 211.648 2.404 10 0 BEAERN COc1ccc(Cl)cc1-c1c[nH]nn1 ZINC000216637736 175119619 /nfs/dbraw/zinc/11/96/19/175119619.db2.gz FMMGPFVADFGYEK-UHFFFAOYSA-N 0 0 209.636 2.134 10 0 BEAERN COc1ccc(F)c(N)c1Br ZINC000075843652 175126049 /nfs/dbraw/zinc/12/60/49/175126049.db2.gz FYQFPUMXFRBZJC-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN COc1ccc(F)cc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000092117974 175131208 /nfs/dbraw/zinc/13/12/08/175131208.db2.gz WSWAUSPLGPNTRR-IONNQARKSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(F)cc1[C@H](O)[C@H]1CCCOC1 ZINC000062239681 175133987 /nfs/dbraw/zinc/13/39/87/175133987.db2.gz GBUFBXWJGQYTNG-TVQRCGJNSA-N 0 0 240.274 2.294 10 0 BEAERN COc1ccc(N)c(C(=O)NCC2CCCC2)c1 ZINC000037846917 175137591 /nfs/dbraw/zinc/13/75/91/175137591.db2.gz DGEHMEUSQAOVDQ-UHFFFAOYSA-N 0 0 248.326 2.197 10 0 BEAERN COc1ccc(N)c(-c2cccnc2)c1 ZINC000090529993 175137597 /nfs/dbraw/zinc/13/75/97/175137597.db2.gz MXFLFABUXNQYCN-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1ccc(N)cc1-c1cccnc1 ZINC000038856447 175137896 /nfs/dbraw/zinc/13/78/96/175137896.db2.gz VCZGIQMMLWMYEL-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1ccc(N)cc1-c1n[nH]c(C(C)C)n1 ZINC000072237612 175137910 /nfs/dbraw/zinc/13/79/10/175137910.db2.gz RPNBDIVOAWEDIU-UHFFFAOYSA-N 0 0 232.287 2.186 10 0 BEAERN COc1ccc(N)cc1Oc1cc(C)nc(C)n1 ZINC000037756854 175138505 /nfs/dbraw/zinc/13/85/05/175138505.db2.gz MBRSPKKBSZFSKE-UHFFFAOYSA-N 0 0 245.282 2.477 10 0 BEAERN COc1ccc(NC(=O)CC(F)(F)F)c(N)c1 ZINC000021968934 175141372 /nfs/dbraw/zinc/14/13/72/175141372.db2.gz JZYGOTWALDHQTJ-UHFFFAOYSA-N 0 0 248.204 2.168 10 0 BEAERN COc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000121762179 175147123 /nfs/dbraw/zinc/14/71/23/175147123.db2.gz GLMGDJKCOVHHTK-BXKDBHETSA-N 0 0 235.283 2.201 10 0 BEAERN COc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000121762367 175147483 /nfs/dbraw/zinc/14/74/83/175147483.db2.gz GLMGDJKCOVHHTK-JOYOIKCWSA-N 0 0 235.283 2.201 10 0 BEAERN COc1ccc(NCCCCCO)cc1 ZINC000049814572 175150383 /nfs/dbraw/zinc/15/03/83/175150383.db2.gz CWIPMNLADQORRR-UHFFFAOYSA-N 0 0 209.289 2.270 10 0 BEAERN COc1ccc(NCC(=O)OC(C)(C)C)cc1 ZINC000037390694 175150405 /nfs/dbraw/zinc/15/04/05/175150405.db2.gz WQGFJWIQOLOBSM-UHFFFAOYSA-N 0 0 237.299 2.449 10 0 BEAERN COc1ccc(NC[C@H]2CCOC2)cc1F ZINC000037290310 175151524 /nfs/dbraw/zinc/15/15/24/175151524.db2.gz UJNNHVWNABZQQV-SECBINFHSA-N 0 0 225.263 2.283 10 0 BEAERN COc1ccc(NC[C@H]2CCCO2)c(OC)c1 ZINC000020041020 175151948 /nfs/dbraw/zinc/15/19/48/175151948.db2.gz BRELCMKRSBVVIU-LLVKDONJSA-N 0 0 237.299 2.295 10 0 BEAERN COc1ccc(NC[C@@H]2CCCOC2)cc1O ZINC000104326345 175152003 /nfs/dbraw/zinc/15/20/03/175152003.db2.gz NPIAJYXBNVPCED-JTQLQIEISA-N 0 0 237.299 2.239 10 0 BEAERN COc1ccc(NCc2cnccn2)cc1 ZINC000054765543 175152394 /nfs/dbraw/zinc/15/23/94/175152394.db2.gz WLOQDNRGIHABSW-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccc(NCc2cncs2)cc1O ZINC000054771116 175152525 /nfs/dbraw/zinc/15/25/25/175152525.db2.gz KQVYVSZYTUWTRM-UHFFFAOYSA-N 0 0 236.296 2.469 10 0 BEAERN COc1ccc(NCc2cncnc2)cc1F ZINC000054767245 175152637 /nfs/dbraw/zinc/15/26/37/175152637.db2.gz RYHKPDSMJXSCDT-UHFFFAOYSA-N 0 0 233.246 2.236 10 0 BEAERN COc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000055421047 175153227 /nfs/dbraw/zinc/15/32/27/175153227.db2.gz FIYQFNWMWIYXCR-NSHDSACASA-N 0 0 248.326 2.118 10 0 BEAERN COc1ccc(NCc2csnn2)cc1C ZINC000049528470 175153323 /nfs/dbraw/zinc/15/33/23/175153323.db2.gz XNUBTHLQHXNTTR-UHFFFAOYSA-N 0 0 235.312 2.467 10 0 BEAERN COc1ccc(NCc2nc(C)c(C)o2)cn1 ZINC000037909161 175153456 /nfs/dbraw/zinc/15/34/56/175153456.db2.gz LOEXBWXXMXBOIV-UHFFFAOYSA-N 0 0 233.271 2.307 10 0 BEAERN COc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000037691305 175153858 /nfs/dbraw/zinc/15/38/58/175153858.db2.gz ISSYUPPJBKVIRT-CHWSQXEVSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccc(N[C@@H]2CCCCNC2=O)c(C)c1 ZINC000061567880 175154304 /nfs/dbraw/zinc/15/43/04/175154304.db2.gz LTYGMSPUKDIVJW-CYBMUJFWSA-N 0 0 248.326 2.084 10 0 BEAERN COc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1 ZINC000055421049 175154674 /nfs/dbraw/zinc/15/46/74/175154674.db2.gz FIYQFNWMWIYXCR-LLVKDONJSA-N 0 0 248.326 2.118 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@H]2O)cc1F ZINC000037690136 175155759 /nfs/dbraw/zinc/15/57/59/175155759.db2.gz JIZMIWWEBXSJKP-WDEREUQCSA-N 0 0 225.263 2.160 10 0 BEAERN COc1ccc(OC)c(-c2ccc(O)cn2)c1 ZINC000065355932 175163408 /nfs/dbraw/zinc/16/34/08/175163408.db2.gz UHKYXPUQOXSLIO-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN COc1ccc(OC)c([C@H](O)C2CC2)c1 ZINC000032011941 175168714 /nfs/dbraw/zinc/16/87/14/175168714.db2.gz POGKGBITMFXFHC-GFCCVEGCSA-N 0 0 208.257 2.147 10 0 BEAERN COc1ccc(OC)c([C@H]2CC[C@H](O)C2)c1 ZINC000057514798 175168885 /nfs/dbraw/zinc/16/88/85/175168885.db2.gz IKQCBFYFEMGXDD-UWVGGRQHSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc(OC2CC2)c(SC)n1 ZINC000095728404 175171240 /nfs/dbraw/zinc/17/12/40/175171240.db2.gz KYLKRWCDBUHWOC-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1ccc(OC)c2nc(C)c(C)nc12 ZINC000034406444 175171379 /nfs/dbraw/zinc/17/13/79/175171379.db2.gz ANTFTCPLPZMOFX-UHFFFAOYSA-N 0 0 218.256 2.264 10 0 BEAERN COc1ccc([C@@H](C)C(C)=O)cc1OC ZINC000085662357 175176234 /nfs/dbraw/zinc/17/62/34/175176234.db2.gz DIWFDYWHQAEIMY-QMMMGPOBSA-N 0 0 208.257 2.396 10 0 BEAERN COc1ccc([C@@H](C)NCc2ncc[nH]2)cc1F ZINC000049715219 175177026 /nfs/dbraw/zinc/17/70/26/175177026.db2.gz NNXXQLSSMWQSQK-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN COc1ccc([C@@H](O)C(C)C)c(OC)c1 ZINC000036158702 175180603 /nfs/dbraw/zinc/18/06/03/175180603.db2.gz IRAOPPHDUQCLIV-LBPRGKRZSA-N 0 0 210.273 2.393 10 0 BEAERN COc1ccc([C@@H]2CC[C@H](O)C2)c(OC)c1 ZINC000057514805 175184078 /nfs/dbraw/zinc/18/40/78/175184078.db2.gz VPHFAOJKVPGTSM-ZJUUUORDSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc2c(Cl)cc(=O)[nH]c2c1C ZINC000071973697 175204522 /nfs/dbraw/zinc/20/45/22/175204522.db2.gz HQVJNOFNGCVWAI-UHFFFAOYSA-N 0 0 223.659 2.499 10 0 BEAERN COc1ccc2c(c1C)OC(=O)C[C@H]2C ZINC000021995759 175220252 /nfs/dbraw/zinc/22/02/52/175220252.db2.gz CYRDPRKCGBJNQT-SSDOTTSWSA-N 0 0 206.241 2.416 10 0 BEAERN COc1ccc2ccccc2c1CCO ZINC000044380406 175225291 /nfs/dbraw/zinc/22/52/91/175225291.db2.gz CTHFDPIINZDOHR-UHFFFAOYSA-N 0 0 202.253 2.383 10 0 BEAERN COc1ccc2ccccc2c1CONC(C)=O ZINC000000021043 175226769 /nfs/dbraw/zinc/22/67/69/175226769.db2.gz MIGVRQBDRLYHDK-UHFFFAOYSA-N 0 0 245.278 2.416 10 0 BEAERN COc1ccc2ncc(Cl)c(N)c2c1 ZINC000041702203 175230300 /nfs/dbraw/zinc/23/03/00/175230300.db2.gz NOFPZXGKTSMGJF-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1cccc(-c2cc(=O)cc[nH]2)c1 ZINC000065355671 175233156 /nfs/dbraw/zinc/23/31/56/175233156.db2.gz PNQFBDSPIKIIEF-UHFFFAOYSA-N 0 0 201.225 2.051 10 0 BEAERN COc1cccc(-c2ncccc2O)c1 ZINC000065337767 175237361 /nfs/dbraw/zinc/23/73/61/175237361.db2.gz GCZHPMHIQMFGAL-UHFFFAOYSA-N 0 0 201.225 2.463 10 0 BEAERN COc1cccc(-n2ncc(C(C)=O)c2C)c1 ZINC000071534655 175239835 /nfs/dbraw/zinc/23/98/35/175239835.db2.gz AVIAPTAGRMFOSH-UHFFFAOYSA-N 0 0 230.267 2.392 10 0 BEAERN COc1cccc(C=O)c1OCC(F)(F)F ZINC000033425662 175249261 /nfs/dbraw/zinc/24/92/61/175249261.db2.gz LAOWBBHOSKSJBR-UHFFFAOYSA-N 0 0 234.173 2.449 10 0 BEAERN COc1cccc(CNc2cccc(O)c2)n1 ZINC000083357280 175268818 /nfs/dbraw/zinc/26/88/18/175268818.db2.gz MFWHOMIERIJMQR-UHFFFAOYSA-N 0 0 230.267 2.408 10 0 BEAERN COc1cccc(CNc2cncnc2)c1OC ZINC000083373647 175268979 /nfs/dbraw/zinc/26/89/79/175268979.db2.gz MRFSPHJZMWMGMJ-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1cccc(C[C@@H](O)c2cccnc2)c1 ZINC000040907553 175271377 /nfs/dbraw/zinc/27/13/77/175271377.db2.gz MINLLKFUWPRJTK-CQSZACIVSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc(Cc2nc(C)cc(C=O)n2)c1 ZINC000054830624 175272739 /nfs/dbraw/zinc/27/27/39/175272739.db2.gz JXTWYUIDMHDTTJ-UHFFFAOYSA-N 0 0 242.278 2.197 10 0 BEAERN COc1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000121724895 175277428 /nfs/dbraw/zinc/27/74/28/175277428.db2.gz VPTAZDMKJXQXPI-JOYOIKCWSA-N 0 0 235.283 2.201 10 0 BEAERN COc1cccc(N[C@H]2CCC[C@@H]2O)c1 ZINC000037689955 175280383 /nfs/dbraw/zinc/28/03/83/175280383.db2.gz UKSQVZQOJMECGH-RYUDHWBXSA-N 0 0 207.273 2.021 10 0 BEAERN COc1cccc(OC)c1-c1ccc(CO)cn1 ZINC000039927642 175280617 /nfs/dbraw/zinc/28/06/17/175280617.db2.gz NRRLCANPEHQGEN-UHFFFAOYSA-N 0 0 245.278 2.258 10 0 BEAERN COc1cccc(OCc2csc(N)n2)c1 ZINC000003885558 175284354 /nfs/dbraw/zinc/28/43/54/175284354.db2.gz UDGSTKAPESZZHW-UHFFFAOYSA-N 0 0 236.296 2.313 10 0 BEAERN COc1cccc([C@@H](N)c2noc(C3CC3)n2)c1 ZINC000036764295 175288556 /nfs/dbraw/zinc/28/85/56/175288556.db2.gz FFUOKYQHEISPKM-LLVKDONJSA-N 0 0 245.282 2.004 10 0 BEAERN COc1cccc([C@@H](O)Cc2ccccn2)c1 ZINC000037532741 175289548 /nfs/dbraw/zinc/28/95/48/175289548.db2.gz TWCYTOUSGHLHOG-AWEZNQCLSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc([C@H]2S[C@H](C)C(=O)N2C)c1 ZINC000045030049 175296471 /nfs/dbraw/zinc/29/64/71/175296471.db2.gz CIMGNDBUESRXOC-PRHODGIISA-N 0 0 237.324 2.288 10 0 BEAERN COc1cccc2c(=O)c3c([nH]c12)CCCC3 ZINC000042403900 175298247 /nfs/dbraw/zinc/29/82/47/175298247.db2.gz DRTNPMJEVFCBHD-UHFFFAOYSA-N 0 0 229.279 2.416 10 0 BEAERN COc1ccccc1-c1ncccc1O ZINC000065337763 175311805 /nfs/dbraw/zinc/31/18/05/175311805.db2.gz LPUWXCCIADAKBU-UHFFFAOYSA-N 0 0 201.225 2.463 10 0 BEAERN COc1ccccc1C(=O)CN1CCC[C@H]1C ZINC000037911574 175316204 /nfs/dbraw/zinc/31/62/04/175316204.db2.gz POHKLMIBMXRRFN-LLVKDONJSA-N 0 0 233.311 2.362 10 0 BEAERN COc1ccccc1CCNCC(F)(F)F ZINC000037973998 175323642 /nfs/dbraw/zinc/32/36/42/175323642.db2.gz LWQRAGGWNJOESB-UHFFFAOYSA-N 0 0 233.233 2.390 10 0 BEAERN COc1ccccc1C[C@@H]1CSCC1=O ZINC000076672430 175332603 /nfs/dbraw/zinc/33/26/03/175332603.db2.gz LTIAGMCXKYYICL-SNVBAGLBSA-N 0 0 222.309 2.170 10 0 BEAERN COc1ccccc1C[C@@H](O)C[C@H]1CCCO1 ZINC000043457745 175332646 /nfs/dbraw/zinc/33/26/46/175332646.db2.gz PNXONXAMWSJRKZ-CHWSQXEVSA-N 0 0 236.311 2.168 10 0 BEAERN COc1ccccc1C[C@H](O)C[C@@H]1CCCO1 ZINC000043457742 175334253 /nfs/dbraw/zinc/33/42/53/175334253.db2.gz PNXONXAMWSJRKZ-STQMWFEESA-N 0 0 236.311 2.168 10 0 BEAERN COc1ccccc1Cc1csc(N)n1 ZINC000041233998 175335284 /nfs/dbraw/zinc/33/52/84/175335284.db2.gz HMDDWUAIMBAXLT-UHFFFAOYSA-N 0 0 220.297 2.325 10 0 BEAERN COc1ccccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000121727537 175336552 /nfs/dbraw/zinc/33/65/52/175336552.db2.gz PJYXHUJTTNFYKX-BXKDBHETSA-N 0 0 235.283 2.201 10 0 BEAERN COc1ccccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000190251326 175336935 /nfs/dbraw/zinc/33/69/35/175336935.db2.gz KLQDIYOCQFXWJL-QWRGUYRKSA-N 0 0 249.310 2.449 10 0 BEAERN COc1ccccc1NC[C@@H]1CCOC1 ZINC000019902057 175337829 /nfs/dbraw/zinc/33/78/29/175337829.db2.gz VSQBDOVYFDBWGH-JTQLQIEISA-N 0 0 207.273 2.144 10 0 BEAERN COc1ccccc1[C@@H](O)c1cccnc1 ZINC000037464798 175347814 /nfs/dbraw/zinc/34/78/14/175347814.db2.gz SQXKTRFMUXVUAU-ZDUSSCGKSA-N 0 0 215.252 2.172 10 0 BEAERN COc1ccccc1[C@@](C)(O)c1cncc(F)c1 ZINC000049576977 175349796 /nfs/dbraw/zinc/34/97/96/175349796.db2.gz BMPVEPCSUXXRCQ-AWEZNQCLSA-N 0 0 247.269 2.485 10 0 BEAERN COc1cccn2cc(-c3ccccn3)nc12 ZINC000077001980 175356349 /nfs/dbraw/zinc/35/63/49/175356349.db2.gz FYRFBBQEEMLWGR-UHFFFAOYSA-N 0 0 225.251 2.405 10 0 BEAERN COc1cncc(-c2n[nH]c3ccc(N)cc32)c1 ZINC000211512915 175382532 /nfs/dbraw/zinc/38/25/32/175382532.db2.gz BIAISLMQJPWMEM-UHFFFAOYSA-N 0 0 240.266 2.216 10 0 BEAERN COc1cnc2cc(Br)ccc2n1 ZINC000067172107 175382578 /nfs/dbraw/zinc/38/25/78/175382578.db2.gz IMIWQKKVQNICAE-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN COc1coc(-c2ccccc2)cc1=O ZINC000118886206 175387097 /nfs/dbraw/zinc/38/70/97/175387097.db2.gz PXRGYJQHNWRMGP-UHFFFAOYSA-N 0 0 202.209 2.315 10 0 BEAERN COc1nc(N[C@@H](C)c2ccco2)ccc1N ZINC000035739195 175396135 /nfs/dbraw/zinc/39/61/35/175396135.db2.gz DIRYALMDLBQGRU-QMMMGPOBSA-N 0 0 233.271 2.439 10 0 BEAERN COc1nccc2cn(Cc3ccccc3)nc21 ZINC000090555800 175403986 /nfs/dbraw/zinc/40/39/86/175403986.db2.gz KQRBOXDFWSGYNZ-UHFFFAOYSA-N 0 0 239.278 2.488 10 0 BEAERN CSCc1noc(-c2c(N)cccc2F)n1 ZINC000054493846 175533741 /nfs/dbraw/zinc/53/37/41/175533741.db2.gz NNBCJFWKBCJZGV-UHFFFAOYSA-N 0 0 239.275 2.321 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)C1CC1 ZINC000175308971 175606306 /nfs/dbraw/zinc/60/63/06/175606306.db2.gz WYFBYBTWUUNRDB-MFKMUULPSA-N 0 0 247.342 2.130 10 0 BEAERN C[C@@H](C(=O)NC[C@H](O)C(C)(C)C)c1ccccc1 ZINC000273238057 175615707 /nfs/dbraw/zinc/61/57/07/175615707.db2.gz QBRRJTSJKBQMKP-YPMHNXCESA-N 0 0 249.354 2.313 10 0 BEAERN C[C@@H](N)c1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000075904002 175822257 /nfs/dbraw/zinc/82/22/57/175822257.db2.gz ZEKVXBQYXIJPRR-SCSAIBSYSA-N 0 0 243.188 2.174 10 0 BEAERN C[C@@H](NC(=O)C1CCC1)c1ccccc1N ZINC000037178137 175827503 /nfs/dbraw/zinc/82/75/03/175827503.db2.gz UNOGBCWASMVLQG-SECBINFHSA-N 0 0 218.300 2.246 10 0 BEAERN C[C@@H](NC(=O)c1ccc(Cl)o1)[C@H]1CCCO1 ZINC000027890648 175848537 /nfs/dbraw/zinc/84/85/37/175848537.db2.gz FOLHMMRDQMUVSD-HTQZYQBOSA-N 0 0 243.690 2.230 10 0 BEAERN C[C@@H](Nc1ccc2c(c1)OCO2)c1cc[nH]n1 ZINC000037906646 175932045 /nfs/dbraw/zinc/93/20/45/175932045.db2.gz DRVGJLISVXWCRR-MRVPVSSYSA-N 0 0 231.255 2.312 10 0 BEAERN C[C@@H](Nc1cccc(C(N)=O)c1)C1(C)CC1 ZINC000037468156 175932130 /nfs/dbraw/zinc/93/21/30/175932130.db2.gz QMGVJWOQZSPNIM-SECBINFHSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@@H](Nc1ccncn1)c1cccc(N)c1 ZINC000040863552 175935725 /nfs/dbraw/zinc/93/57/25/175935725.db2.gz MEEDKYMJETZPPR-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000039094029 175946536 /nfs/dbraw/zinc/94/65/36/175946536.db2.gz OEYGXXLGASGMRR-MRVPVSSYSA-N 0 0 217.309 2.061 10 0 BEAERN C[C@@H](O)c1cnc2ccc(Br)cn21 ZINC000031935514 176000323 /nfs/dbraw/zinc/00/03/23/176000323.db2.gz KFHUQEUDHCMOLJ-ZCFIWIBFSA-N 0 0 241.088 2.150 10 0 BEAERN C[C@@H](Oc1ccc(F)c(F)c1)C(N)=S ZINC000041229609 176003598 /nfs/dbraw/zinc/00/35/98/176003598.db2.gz XEZFJOHIPZFZHS-RXMQYKEDSA-N 0 0 217.240 2.018 10 0 BEAERN C[C@@H]([NH3+])c1cc(Cl)ccc1O[C@H](C)C(=O)[O-] ZINC000050209565 176004273 /nfs/dbraw/zinc/00/42/73/176004273.db2.gz RIQOBRFVVSKMBP-RNFRBKRXSA-N 0 0 243.690 2.212 10 0 BEAERN C[C@@H](Sc1nncn1C)c1cccc(N)c1 ZINC000040908623 176011257 /nfs/dbraw/zinc/01/12/57/176011257.db2.gz KUFWECHDRUAAKK-MRVPVSSYSA-N 0 0 234.328 2.251 10 0 BEAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)[C@H]1CCCO1 ZINC000038089980 176015695 /nfs/dbraw/zinc/01/56/95/176015695.db2.gz NGDIEAUAXGLRNR-GXFFZTMASA-N 0 0 249.310 2.091 10 0 BEAERN C[C@@H](c1ccccc1N)N1CCCCC1=O ZINC000037178223 176024618 /nfs/dbraw/zinc/02/46/18/176024618.db2.gz NYJCICXPNLBKPI-JTQLQIEISA-N 0 0 218.300 2.342 10 0 BEAERN C[C@@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O ZINC000000106007 176050805 /nfs/dbraw/zinc/05/08/05/176050805.db2.gz XYDOFTXQCQDRSV-ZCFIWIBFSA-N 0 0 244.699 2.089 10 0 BEAERN C[C@@H]1CCCCN1c1ncc(CO)s1 ZINC000054910340 176075207 /nfs/dbraw/zinc/07/52/07/176075207.db2.gz KKBAOTDYLHBYPI-MRVPVSSYSA-N 0 0 212.318 2.014 10 0 BEAERN C[C@@H]1CCCC[C@@H]1Nc1cc(C(N)=O)ccc1N ZINC000103963393 176082070 /nfs/dbraw/zinc/08/20/70/176082070.db2.gz HUANKVQNEUSTAW-SKDRFNHKSA-N 0 0 247.342 2.358 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cc(N)cn1C1CC1 ZINC000037909657 176107287 /nfs/dbraw/zinc/10/72/87/176107287.db2.gz CDHHLJPMWOPXAS-SECBINFHSA-N 0 0 233.315 2.030 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000300240808 176126731 /nfs/dbraw/zinc/12/67/31/176126731.db2.gz YKPGEUIAYSIPLR-FVCCEPFGSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000310333997 176126748 /nfs/dbraw/zinc/12/67/48/176126748.db2.gz ZNWIZJJYAQSEJH-LPWJVIDDSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOCC1(C)C ZINC000335985078 176147139 /nfs/dbraw/zinc/14/71/39/176147139.db2.gz GEFNEXUINAKKGZ-GHMZBOCLSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1CCC[C@](CO)(Nc2ccccn2)C1 ZINC000053110363 176152225 /nfs/dbraw/zinc/15/22/25/176152225.db2.gz QAGDZCOQYLGDTG-YPMHNXCESA-N 0 0 220.316 2.435 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(Cl)ccn1 ZINC000130851984 176191729 /nfs/dbraw/zinc/19/17/29/176191729.db2.gz YQPRBRSCFOBJNX-XCBNKYQSSA-N 0 0 240.690 2.099 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000153195035 176196484 /nfs/dbraw/zinc/19/64/84/176196484.db2.gz BWZXYFCJBNHYER-WZRBSPASSA-N 0 0 233.311 2.431 10 0 BEAERN C[C@@H]1CC[C@@H](CC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000127790867 176200410 /nfs/dbraw/zinc/20/04/10/176200410.db2.gz YZFAPEFXAPGDRA-UPJWGTAASA-N 0 0 239.359 2.450 10 0 BEAERN C[C@@H]1CC[C@@H](Cc2nc(-c3ncon3)no2)C1 ZINC000329588041 176205893 /nfs/dbraw/zinc/20/58/93/176205893.db2.gz MXTSNULWCQGXBO-HTQZYQBOSA-N 0 0 234.259 2.098 10 0 BEAERN C[C@@H]1CC[C@@H](CO)CN1c1nc2ccccc2o1 ZINC000119353101 176206313 /nfs/dbraw/zinc/20/63/13/176206313.db2.gz FYEZLQUGSSRIJX-GHMZBOCLSA-N 0 0 246.310 2.425 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCc2cccc(F)c2)O1 ZINC000128811695 176221440 /nfs/dbraw/zinc/22/14/40/176221440.db2.gz XKIONHXZVUSLSH-BXKDBHETSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@@H]1CC[C@H](NC(N)=O)c2ccccc21 ZINC000132836848 176232916 /nfs/dbraw/zinc/23/29/16/176232916.db2.gz QTEFVVPEXRCZBF-KCJUWKMLSA-N 0 0 204.273 2.293 10 0 BEAERN C[C@@H]1CCc2c(sc3nc(CO)cn23)C1 ZINC000009238330 176238953 /nfs/dbraw/zinc/23/89/53/176238953.db2.gz LWWFXFVFYFIDFE-SSDOTTSWSA-N 0 0 222.313 2.013 10 0 BEAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)N(C)C ZINC000177252922 176279700 /nfs/dbraw/zinc/27/97/00/176279700.db2.gz BJAFBZXXOZBGMK-LLVKDONJSA-N 0 0 247.342 2.009 10 0 BEAERN C[C@@H]1CN(CCOC2CCCCC2)CCC1=O ZINC000104433907 176293295 /nfs/dbraw/zinc/29/32/95/176293295.db2.gz XXVFXTDHDPMBLG-GFCCVEGCSA-N 0 0 239.359 2.247 10 0 BEAERN C[C@@H]1CN(c2cc(N)cc(F)c2)CCCO1 ZINC000061916820 176319402 /nfs/dbraw/zinc/31/94/02/176319402.db2.gz LDCALAVUBDAXDN-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccco1 ZINC000251663850 176322391 /nfs/dbraw/zinc/32/23/91/176322391.db2.gz HAINTICPDIWHCU-OLZOCXBDSA-N 0 0 234.343 2.338 10 0 BEAERN C[C@@H]1COCCN1Cc1ccc(Cl)c(N)c1 ZINC000035773472 176337678 /nfs/dbraw/zinc/33/76/78/176337678.db2.gz MNXXIRKDCVILTH-SECBINFHSA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1CCC(=O)c1ccccc1 ZINC000182341400 176346201 /nfs/dbraw/zinc/34/62/01/176346201.db2.gz BXJSYKGJNPNVJM-CHWSQXEVSA-N 0 0 247.338 2.369 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(Cl)nc1 ZINC000077657763 176347325 /nfs/dbraw/zinc/34/73/25/176347325.db2.gz CUXSZMGMLJXMIO-NXEZZACHSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccsc1 ZINC000093607501 176347407 /nfs/dbraw/zinc/34/74/07/176347407.db2.gz MVFBSGDAYHOANR-NXEZZACHSA-N 0 0 211.330 2.357 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)N(C)C)c2ccccc2N1 ZINC000019424955 176356442 /nfs/dbraw/zinc/35/64/42/176356442.db2.gz SUVQDNAMVHVFHK-MWLCHTKSSA-N 0 0 218.300 2.063 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1ccc(F)cc1 ZINC000075526120 176399204 /nfs/dbraw/zinc/39/92/04/176399204.db2.gz ABMZWXVFTHQLRA-SKDRFNHKSA-N 0 0 221.275 2.283 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1ccsc1 ZINC000075526744 176399261 /nfs/dbraw/zinc/39/92/61/176399261.db2.gz LSAKASFGABYOKV-SCZZXKLOSA-N 0 0 209.314 2.205 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000115360695 176399478 /nfs/dbraw/zinc/39/94/78/176399478.db2.gz IQDCXINGTRYGKQ-DDTOSNHZSA-N 0 0 245.322 2.215 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000171047963 176399567 /nfs/dbraw/zinc/39/95/67/176399567.db2.gz KJNPMFDEDNXWDN-PELKAZGASA-N 0 0 246.285 2.374 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(N(C)C)cc1F ZINC000123371756 176403666 /nfs/dbraw/zinc/40/36/66/176403666.db2.gz ILWUWTISTYTKHI-PELKAZGASA-N 0 0 236.290 2.030 10 0 BEAERN C[C@@H]1Cc2cc(N)ccc2N1C(=O)c1ccoc1 ZINC000036742574 176449809 /nfs/dbraw/zinc/44/98/09/176449809.db2.gz LRHPTGMBTDSFPD-SECBINFHSA-N 0 0 242.278 2.453 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncnc2ccsc21 ZINC000134569803 176482461 /nfs/dbraw/zinc/48/24/61/176482461.db2.gz DSCDXKQFKCVXNF-JGVFFNPUSA-N 0 0 235.312 2.281 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)NCC1(C)COC1 ZINC000112617711 176723655 /nfs/dbraw/zinc/72/36/55/176723655.db2.gz DLCOKNGGVMDSHV-GFCCVEGCSA-N 0 0 247.338 2.018 10 0 BEAERN C[C@H]([NH3+])[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000082294906 176770657 /nfs/dbraw/zinc/77/06/57/176770657.db2.gz SUUXMHUUJIEKNH-XVKPBYJWSA-N 0 0 227.691 2.246 10 0 BEAERN C[C@H](Nc1cc(Cl)ccc1F)C(=O)N(C)C ZINC000035083637 176931421 /nfs/dbraw/zinc/93/14/21/176931421.db2.gz DVVYTSQGEYBVTK-ZETCQYMHSA-N 0 0 244.697 2.368 10 0 BEAERN C[C@H](Nc1cc2c(cc1N)CCC(=O)N2)C1CC1 ZINC000035733386 176932524 /nfs/dbraw/zinc/93/25/24/176932524.db2.gz PHBVZFACCXPQMO-QMMMGPOBSA-N 0 0 245.326 2.364 10 0 BEAERN C[C@H](Nc1ccn(C)n1)c1ccc(O)cc1 ZINC000037471881 176937323 /nfs/dbraw/zinc/93/73/23/176937323.db2.gz DYLLEHPUHOLTBB-VIFPVBQESA-N 0 0 217.272 2.299 10 0 BEAERN C[C@H](O)[C@H](C)Oc1cc(F)ccc1F ZINC000070820111 177012593 /nfs/dbraw/zinc/01/25/93/177012593.db2.gz ZSBKOEWLMLGXMW-BQBZGAKWSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@H](O)c1cccc(OCc2cnn(C)c2)c1 ZINC000035627691 177017405 /nfs/dbraw/zinc/01/74/05/177017405.db2.gz AOULDOYZMXHDEI-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN C[C@H](O)c1ccc(F)cc1OC(F)F ZINC000062748905 177017448 /nfs/dbraw/zinc/01/74/48/177017448.db2.gz HNONPQNUQKFOEB-YFKPBYRVSA-N 0 0 206.163 2.480 10 0 BEAERN C[C@H](O)c1ccccc1O[C@@H]1CCCC[C@@H]1O ZINC000037691990 177017701 /nfs/dbraw/zinc/01/77/01/177017701.db2.gz JWNWMCQNVLYHMK-VHRBIJSZSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1ccccc1OCCn1ccnc1 ZINC000035626937 177018138 /nfs/dbraw/zinc/01/81/38/177018138.db2.gz PYVBCUOOWBICLZ-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN C[C@H](O)c1ccccc1OCCn1cccn1 ZINC000049325574 177018182 /nfs/dbraw/zinc/01/81/82/177018182.db2.gz UJVYTVCBBUBMJY-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN C[C@H](O)c1nc2ccccc2n1CC1CC1 ZINC000181499105 177018740 /nfs/dbraw/zinc/01/87/40/177018740.db2.gz OUXPROLUTGPQPC-VIFPVBQESA-N 0 0 216.284 2.500 10 0 BEAERN C[C@H](SC[C@@H](O)CO)c1ccc(F)c(F)c1 ZINC000177407249 177027663 /nfs/dbraw/zinc/02/76/63/177027663.db2.gz AWURPRUECVORAH-CBAPKCEASA-N 0 0 248.294 2.112 10 0 BEAERN C[C@H](Sc1ccccc1N)C(=O)NC1CC1 ZINC000020422222 177029310 /nfs/dbraw/zinc/02/93/10/177029310.db2.gz RFTUTILEHVVGEM-QMMMGPOBSA-N 0 0 236.340 2.028 10 0 BEAERN C[C@H](c1nccs1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083404196 177054393 /nfs/dbraw/zinc/05/43/93/177054393.db2.gz DEYRKDJKGNULEA-BDAKNGLRSA-N 0 0 240.328 2.001 10 0 BEAERN C[C@@H]1c2cc(Cl)ccc2CCNC1=O ZINC000022011746 177060236 /nfs/dbraw/zinc/06/02/36/177060236.db2.gz GWMXBSJNHZORGS-SSDOTTSWSA-N 0 0 209.676 2.116 10 0 BEAERN C[C@H]1CC(C)(C)Nc2c(C(N)=O)cccc21 ZINC000072416612 177064231 /nfs/dbraw/zinc/06/42/31/177064231.db2.gz NYJQHEVNPFYNDE-QMMMGPOBSA-N 0 0 218.300 2.483 10 0 BEAERN C[C@H]1CCCCN1C(=O)COc1ccccc1N ZINC000022146209 177072078 /nfs/dbraw/zinc/07/20/78/177072078.db2.gz XENJWWWBZYSPNK-NSHDSACASA-N 0 0 248.326 2.049 10 0 BEAERN C[C@H]1CCCC[C@@H]1[N@H+](C)C/C=C/C(=O)[O-] ZINC000051859865 177080842 /nfs/dbraw/zinc/08/08/42/177080842.db2.gz BQXTUMXWZPYRAK-VAZREYJMSA-N 0 0 211.305 2.138 10 0 BEAERN C[C@H]1CCCC[C@@H]1OC(=O)C1([NH3+])CCCC1 ZINC000048633462 177083775 /nfs/dbraw/zinc/08/37/75/177083775.db2.gz WREUVQMIXRTCTA-QWRGUYRKSA-N 0 0 225.332 2.380 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCCc2n[nH]cc21 ZINC000336426713 177123633 /nfs/dbraw/zinc/12/36/33/177123633.db2.gz AKDHLYSOALJPLC-UWVGGRQHSA-N 0 0 233.315 2.125 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NC1(CCO)CCCC1 ZINC000340747077 177123646 /nfs/dbraw/zinc/12/36/46/177123646.db2.gz ODDOOQAQZFCWEW-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@H]1CCC[C@@](CO)(NC(=O)NC(C)(C)C)C1 ZINC000053107642 177127465 /nfs/dbraw/zinc/12/74/65/177127465.db2.gz GXJDZMPIQQJVIO-GXFFZTMASA-N 0 0 242.363 2.025 10 0 BEAERN C[C@H]1CCC[C@H](NC(=O)c2csc(N)n2)C1 ZINC000055185402 177136400 /nfs/dbraw/zinc/13/64/00/177136400.db2.gz SQRQCVXPMIRMDD-YUMQZZPRSA-N 0 0 239.344 2.034 10 0 BEAERN C[C@H]1CCC[C@H](OCc2nnsc2N)C1 ZINC000050832433 177137935 /nfs/dbraw/zinc/13/79/35/177137935.db2.gz PFZXZKBONJMOJN-YUMQZZPRSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@H]1CCC[C@H](OCc2cc(C[NH3+])no2)C1 ZINC000052631984 177138260 /nfs/dbraw/zinc/13/82/60/177138260.db2.gz BVUWMWPRONQTCB-ONGXEEELSA-N 0 0 224.304 2.229 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCCc2n[nH]cc21 ZINC000336426714 177139084 /nfs/dbraw/zinc/13/90/84/177139084.db2.gz AKDHLYSOALJPLC-VHSXEESVSA-N 0 0 233.315 2.125 10 0 BEAERN C[C@H]1CCC[C@](C(=O)[O-])([NH+]2CCCC2)C1 ZINC000037359594 177143846 /nfs/dbraw/zinc/14/38/46/177143846.db2.gz VSLUUOFUNHKVIF-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1C[C@@H](C)CC[N@@H+]1CC(C)(C)C(=O)[O-] ZINC000051748609 177159179 /nfs/dbraw/zinc/15/91/79/177159179.db2.gz QVMKPCSLYLSIPJ-VHSXEESVSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1CCN(Cc2cc(Br)no2)C1 ZINC000276501029 177163966 /nfs/dbraw/zinc/16/39/66/177163966.db2.gz CDBPNUJMCKPXCA-ZETCQYMHSA-N 0 0 245.120 2.279 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2)O1 ZINC000121739545 177197009 /nfs/dbraw/zinc/19/70/09/177197009.db2.gz NFADBRRMHIDORC-GZMMTYOYSA-N 0 0 223.247 2.332 10 0 BEAERN C[C@H]1CCc2nc(N3CCOCC3)sc2C1 ZINC000334665542 177210373 /nfs/dbraw/zinc/21/03/73/177210373.db2.gz CKGSUZQVYIEPBP-VIFPVBQESA-N 0 0 238.356 2.105 10 0 BEAERN C[C@H]1CN(C(=O)C2=CCCCC2)CCS1 ZINC000275790395 177213041 /nfs/dbraw/zinc/21/30/41/177213041.db2.gz NRHAWCKDZWDZIB-JTQLQIEISA-N 0 0 225.357 2.451 10 0 BEAERN C[C@H]1CN(Cc2cncs2)CCS1 ZINC000131325423 177268877 /nfs/dbraw/zinc/26/88/77/177268877.db2.gz BBKSDWLMLQKGFW-QMMMGPOBSA-N 0 0 214.359 2.080 10 0 BEAERN C[C@H]1CN(c2ccc(F)cc2C=O)CCCO1 ZINC000061919229 177277474 /nfs/dbraw/zinc/27/74/74/177277474.db2.gz AGTXQAHMBWXKDR-JTQLQIEISA-N 0 0 237.274 2.253 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C ZINC000041314812 177289944 /nfs/dbraw/zinc/28/99/44/177289944.db2.gz YZPNATOATLVHPG-OLZOCXBDSA-N 0 0 247.338 2.113 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccoc1Cl ZINC000192318310 177298188 /nfs/dbraw/zinc/29/81/88/177298188.db2.gz RKLNCSGRFJHTAE-OCAPTIKFSA-N 0 0 243.690 2.182 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(F)cc1 ZINC000040634508 177299584 /nfs/dbraw/zinc/29/95/84/177299584.db2.gz VAXODPMSSDSMSJ-UWVGGRQHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@H]1COC[C@H](CCc2ccc(F)cc2)[NH2+]1 ZINC000071525011 177299906 /nfs/dbraw/zinc/29/99/06/177299906.db2.gz YEOPIIHSWQHSTP-GWCFXTLKSA-N 0 0 223.291 2.135 10 0 BEAERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1CC1 ZINC000041423786 177300748 /nfs/dbraw/zinc/30/07/48/177300748.db2.gz CHEVYIPWKNMXMC-SMDDNHRTSA-N 0 0 245.322 2.385 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCSc1ccccn1 ZINC000151218377 177346295 /nfs/dbraw/zinc/34/62/95/177346295.db2.gz ZRYBLVGUNBFESO-UWVGGRQHSA-N 0 0 236.340 2.088 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCc2ccccc2C1 ZINC000170809319 177347361 /nfs/dbraw/zinc/34/73/61/177347361.db2.gz UGUJGAVTGAQLJE-GWCFXTLKSA-N 0 0 230.311 2.163 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCCCOc1ccccc1 ZINC000075978015 177347388 /nfs/dbraw/zinc/34/73/88/177347388.db2.gz RRKCRQBTBAWCDJ-AAEUAGOBSA-N 0 0 248.326 2.163 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccnc1C(F)(F)F ZINC000136886030 177348762 /nfs/dbraw/zinc/34/87/62/177348762.db2.gz TUKBVVLSKYMHFG-XPUUQOCRSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccccc1Cl ZINC000075528742 177348838 /nfs/dbraw/zinc/34/88/38/177348838.db2.gz XITJQJJBBFFQOC-XVKPBYJWSA-N 0 0 209.676 2.478 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccnc2ccccc21 ZINC000075525989 177349143 /nfs/dbraw/zinc/34/91/43/177349143.db2.gz FGDNYYSEWFRDIU-ZANVPECISA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccc(C(N)=S)cc1F ZINC000052292582 177350718 /nfs/dbraw/zinc/35/07/18/177350718.db2.gz YSMGHKKRUPKGCD-WKEGUHRASA-N 0 0 224.304 2.280 10 0 BEAERN C[C@H]1C[C@H](C)C[NH+](Cc2cccnc2C(=O)[O-])C1 ZINC000062749675 177358305 /nfs/dbraw/zinc/35/83/05/177358305.db2.gz QYKNQEGXDFHZDW-QWRGUYRKSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123690393 177363252 /nfs/dbraw/zinc/36/32/52/177363252.db2.gz FBTHMODTKCNMGZ-GXTWGEPZSA-N 0 0 246.354 2.241 10 0 BEAERN C[C@@H]1C[C@@H](Nc2cccnc2)C[C@H](C)O1 ZINC000238851054 177372242 /nfs/dbraw/zinc/37/22/42/177372242.db2.gz DVCULDZBWDXVCB-PEGIJTEDSA-N 0 0 206.289 2.450 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000171047976 177383378 /nfs/dbraw/zinc/38/33/78/177383378.db2.gz KJNPMFDEDNXWDN-QPUJVOFHSA-N 0 0 246.285 2.374 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000075528134 177383675 /nfs/dbraw/zinc/38/36/75/177383675.db2.gz HDLFHAUDHKFKMK-GZMMTYOYSA-N 0 0 223.703 2.407 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)cc1O ZINC000052293395 177384681 /nfs/dbraw/zinc/38/46/81/177384681.db2.gz KGFPQPBNTDKRNX-IMTBSYHQSA-N 0 0 225.675 2.184 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc(F)c1F ZINC000054215587 177384687 /nfs/dbraw/zinc/38/46/87/177384687.db2.gz QZTMJFHGOLUSLI-IMTBSYHQSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)cc(F)c1N ZINC000280869588 177384728 /nfs/dbraw/zinc/38/47/28/177384728.db2.gz FABWKSPGVQMJOS-SSDLBLMSSA-N 0 0 242.681 2.200 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000075524463 177384917 /nfs/dbraw/zinc/38/49/17/177384917.db2.gz UIQZSRRQNYKVOP-GXSJLCMTSA-N 0 0 241.294 2.215 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000075526743 177385038 /nfs/dbraw/zinc/38/50/38/177385038.db2.gz YGSIMTUHALAGJX-GXFFZTMASA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1nccc2ccccc21 ZINC000072094707 177385457 /nfs/dbraw/zinc/38/54/57/177385457.db2.gz RPBZWBGKWKUVRT-JOYOIKCWSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000075515526 177385567 /nfs/dbraw/zinc/38/55/67/177385567.db2.gz SCDXBUMRYLKSOT-GXFFZTMASA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000132502013 177386345 /nfs/dbraw/zinc/38/63/45/177386345.db2.gz IRSYTWUHKWKHRY-NTSWFWBYSA-N 0 0 217.194 2.316 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCc1cccs1 ZINC000190517569 177397810 /nfs/dbraw/zinc/39/78/10/177397810.db2.gz VLKFYGVFBGJHAI-KOLCDFICSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nnc(C(C)(C)C)s1 ZINC000301853236 177408687 /nfs/dbraw/zinc/40/86/87/177408687.db2.gz AEEXSXZEESOFEV-HTQZYQBOSA-N 0 0 241.360 2.425 10 0 BEAERN C[C@]([NH3+])(Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000034196725 177444657 /nfs/dbraw/zinc/44/46/57/177444657.db2.gz KNIXHJOJUYQEQE-JTQLQIEISA-N 0 0 248.109 2.338 10 0 BEAERN C[C@]1(NCC(F)(F)F)CCO[C@H]1C1CC1 ZINC000309112612 177469847 /nfs/dbraw/zinc/46/98/47/177469847.db2.gz KEYBVQPRMMWXGN-IUCAKERBSA-N 0 0 223.238 2.096 10 0 BEAERN C[C@]1(NCC(F)(F)F)CCO[C@@H]1C1CC1 ZINC000309112610 177470048 /nfs/dbraw/zinc/47/00/48/177470048.db2.gz KEYBVQPRMMWXGN-BDAKNGLRSA-N 0 0 223.238 2.096 10 0 BEAERN C[C@]1(c2ccc(Cl)cc2)CNC(=O)O1 ZINC000036158785 177476837 /nfs/dbraw/zinc/47/68/37/177476837.db2.gz VXZLMIPDEQXCFU-SNVBAGLBSA-N 0 0 211.648 2.295 10 0 BEAERN Cc1c(-c2nc3ccc(N)cc3o2)cnn1C ZINC000026513198 177554063 /nfs/dbraw/zinc/55/40/63/177554063.db2.gz YOGOAXJDBCTXHZ-UHFFFAOYSA-N 0 0 228.255 2.119 10 0 BEAERN Cc1c(Br)cncc1C[C@H](C)O ZINC000095725591 177556083 /nfs/dbraw/zinc/55/60/83/177556083.db2.gz KLWHKBZHKAJUDG-LURJTMIESA-N 0 0 230.105 2.076 10 0 BEAERN Cc1c(F)cccc1N[C@H]1CCC[C@H]1O ZINC000043320919 177609585 /nfs/dbraw/zinc/60/95/85/177609585.db2.gz JVHOGRMMJLNZCJ-NWDGAFQWSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1c(NCc2ccc[nH]2)cccc1C(N)=O ZINC000051788580 177620629 /nfs/dbraw/zinc/62/06/29/177620629.db2.gz UFZQQOGGWAOVPJ-UHFFFAOYSA-N 0 0 229.283 2.034 10 0 BEAERN Nc1cccc(C(=O)c2ccc3ccccc3n2)n1 ZINC000504716795 226350186 /nfs/dbraw/zinc/35/01/86/226350186.db2.gz RJGGHMQYQSFINL-UHFFFAOYSA-N 0 0 249.273 2.443 10 0 BEAERN O=C(Nc1ccccc1)C(F)(F)Cl ZINC000238547580 487667023 /nfs/dbraw/zinc/66/70/23/487667023.db2.gz RNVGYCIVPPTEKV-UHFFFAOYSA-N 0 0 205.591 2.457 10 0 BEAERN COC(=O)c1ccc(NCC2CCCCC2)nn1 ZINC000037527422 487680771 /nfs/dbraw/zinc/68/07/71/487680771.db2.gz IBZFURRFKHWCMO-UHFFFAOYSA-N 0 0 249.314 2.255 10 0 BEAERN Clc1cc(Cl)c2c(n1)NCCN2 ZINC000575442501 487682450 /nfs/dbraw/zinc/68/24/50/487682450.db2.gz XPEUXALOUDRSHX-UHFFFAOYSA-N 0 0 204.060 2.226 10 0 BEAERN Cc1cscc1C(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000399199120 262779241 /nfs/dbraw/zinc/77/92/41/262779241.db2.gz BVDKYVPXRMYNSM-UWVGGRQHSA-N 0 0 239.340 2.042 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(OC)ccc1O ZINC000231694695 262916980 /nfs/dbraw/zinc/91/69/80/262916980.db2.gz LVDURQAMJKZUIH-SKDRFNHKSA-N 0 0 249.310 2.319 10 0 BEAERN CC(C)c1nccnc1NCC(C)(C)CO ZINC000665707915 487735681 /nfs/dbraw/zinc/73/56/81/487735681.db2.gz CUNQZLJNWLXWCG-UHFFFAOYSA-N 0 0 223.320 2.030 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000250786318 487740030 /nfs/dbraw/zinc/74/00/30/487740030.db2.gz GEUCHVILYKGIGH-IUODEOHRSA-N 0 0 245.322 2.265 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCCCC1 ZINC000250867200 487742938 /nfs/dbraw/zinc/74/29/38/487742938.db2.gz RRNLBTZEIZNMDK-ZSBIGDGJSA-N 0 0 207.317 2.435 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250947069 487744260 /nfs/dbraw/zinc/74/42/60/487744260.db2.gz BVPNRAVVDXTKQD-ILWJIGKKSA-N 0 0 219.288 2.011 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC000250915570 487743880 /nfs/dbraw/zinc/74/38/80/487743880.db2.gz HZWWCHQMYDEHAJ-CLLJXQQHSA-N 0 0 230.311 2.052 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251280895 487752702 /nfs/dbraw/zinc/75/27/02/487752702.db2.gz DHGBZCNICKDWKT-YFKTTZPYSA-N 0 0 209.333 2.441 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2ncnc3c2CCCC3)C1 ZINC000675631603 487755938 /nfs/dbraw/zinc/75/59/38/487755938.db2.gz HGLMEUYAMCKTDQ-WDEREUQCSA-N 0 0 247.342 2.071 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000681241739 487757715 /nfs/dbraw/zinc/75/77/15/487757715.db2.gz POYCBMHQZDFBDW-IJLUTSLNSA-N 0 0 239.359 2.232 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1c1cc(C(C)(C)C)ncn1 ZINC000384990900 487759358 /nfs/dbraw/zinc/75/93/58/487759358.db2.gz KPTPIZUYOCDPDN-MNOVXSKESA-N 0 0 249.358 2.124 10 0 BEAERN CC(C)c1nn(C)cc1N[C@H](C)c1ccnn1C ZINC000302196895 487775154 /nfs/dbraw/zinc/77/51/54/487775154.db2.gz PBQWKVUNTMTKOR-SNVBAGLBSA-N 0 0 247.346 2.450 10 0 BEAERN CC(C)c1nccc(N(C)C[C@@H]2CCCO2)n1 ZINC000110491428 322942617 /nfs/dbraw/zinc/94/26/17/322942617.db2.gz HWDBLCIDRHZVQP-NSHDSACASA-N 0 0 235.331 2.215 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252203661 487821977 /nfs/dbraw/zinc/82/19/77/487821977.db2.gz UQEKXMDIFIQZJB-WISYIIOYSA-N 0 0 207.317 2.291 10 0 BEAERN CCCCCC(=O)NC[C@H](O)C(C)(C)C ZINC000120304637 487840362 /nfs/dbraw/zinc/84/03/62/487840362.db2.gz FLRLIWJXLSQYPR-JTQLQIEISA-N 0 0 215.337 2.090 10 0 BEAERN O=C(NCC1CCSCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252970316 487840695 /nfs/dbraw/zinc/84/06/95/487840695.db2.gz ZOVOEMPPGPFMCR-ZSBIGDGJSA-N 0 0 239.384 2.292 10 0 BEAERN Cc1cc(C(=O)N2CCCO2)c(C)s1 ZINC000125432973 590163868 /nfs/dbraw/zinc/16/38/68/590163868.db2.gz KCOYIQIGZGLQFD-UHFFFAOYSA-N 0 0 211.286 2.142 10 0 BEAERN CCCC1(C(=O)NC[C@H](O)C(C)(C)C)CC1 ZINC000324302339 322982402 /nfs/dbraw/zinc/98/24/02/322982402.db2.gz DEJBRNRUJUQPKK-JTQLQIEISA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCN3)O1 ZINC000158325112 487951680 /nfs/dbraw/zinc/95/16/80/487951680.db2.gz GCHLHVNFCWZEMK-NOZJJQNGSA-N 0 0 246.310 2.161 10 0 BEAERN CCC[C@H]([NH2+][C@H](C)CC1CCC1)C(=O)[O-] ZINC000229757427 487952719 /nfs/dbraw/zinc/95/27/19/487952719.db2.gz ZJRPDFWJMKEXGF-KOLCDFICSA-N 0 0 213.321 2.408 10 0 BEAERN CC(C)[C@@H](O)CC(=O)NC/C=C\c1ccccc1 ZINC000255279172 322921327 /nfs/dbraw/zinc/92/13/27/322921327.db2.gz VRWZLRQQGPIIPX-PIZKADEWSA-N 0 0 247.338 2.223 10 0 BEAERN COc1cncc(Br)c1OC1CC1 ZINC000095731178 322971895 /nfs/dbraw/zinc/97/18/95/322971895.db2.gz XJJTYIJQDIZZLY-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN CCc1cc(C(=O)NCC(F)F)oc1CC ZINC000129234946 323008442 /nfs/dbraw/zinc/00/84/42/323008442.db2.gz JMXJDGNDOIQOOS-UHFFFAOYSA-N 0 0 231.242 2.399 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000400996778 323024862 /nfs/dbraw/zinc/02/48/62/323024862.db2.gz KUEXEYBAXUZKOM-WCQYABFASA-N 0 0 239.359 2.044 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)NCC2CC2)o1 ZINC000048060744 323114248 /nfs/dbraw/zinc/11/42/48/323114248.db2.gz FVWFIZDIOBKUEZ-SECBINFHSA-N 0 0 222.288 2.358 10 0 BEAERN CCC(CC)C(=O)NCc1cccnc1N(C)C ZINC000048777778 323154952 /nfs/dbraw/zinc/15/49/52/323154952.db2.gz YPGRFRKDOFTEMJ-UHFFFAOYSA-N 0 0 249.358 2.200 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000075531480 323168992 /nfs/dbraw/zinc/16/89/92/323168992.db2.gz BHTLDJCPLSTFCZ-SVRRBLITSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000075531485 323168996 /nfs/dbraw/zinc/16/89/96/323168996.db2.gz BHTLDJCPLSTFCZ-POYBYMJQSA-N 0 0 244.216 2.239 10 0 BEAERN CCC1(C(=O)NC[C@H](O)C(C)(C)C)CCCC1 ZINC000324534112 323239803 /nfs/dbraw/zinc/23/98/03/323239803.db2.gz QADUQPDNJKPQKR-NSHDSACASA-N 0 0 241.375 2.480 10 0 BEAERN c1cc(NCc2ccc3[nH]cnc3c2)no1 ZINC000309325862 323342295 /nfs/dbraw/zinc/34/22/95/323342295.db2.gz GOCWDRHBCSFMOB-UHFFFAOYSA-N 0 0 214.228 2.163 10 0 BEAERN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000035018975 323395287 /nfs/dbraw/zinc/39/52/87/323395287.db2.gz CRTXAEMASVASRI-WDEREUQCSA-N 0 0 238.331 2.153 10 0 BEAERN CCN(CCc1ccccc1)C(=O)CSC ZINC000045488534 323843779 /nfs/dbraw/zinc/84/37/79/323843779.db2.gz PVHYZZDBPQQMJC-UHFFFAOYSA-N 0 0 237.368 2.441 10 0 BEAERN COc1ccc2c(c1)OC1(CCOCC1)CC2=O ZINC000164930649 323945177 /nfs/dbraw/zinc/94/51/77/323945177.db2.gz XIGQDQQZGAAEEH-UHFFFAOYSA-N 0 0 248.278 2.210 10 0 BEAERN O=C1NC[C@H](c2ccc(O)cc2)C12CCCC2 ZINC000536955173 323965000 /nfs/dbraw/zinc/96/50/00/323965000.db2.gz VIWAKGUTNMJVIO-GFCCVEGCSA-N 0 0 231.295 2.166 10 0 BEAERN CC(C)CCn1ncc(Br)n1 ZINC000536957154 323967976 /nfs/dbraw/zinc/96/79/76/323967976.db2.gz DDFAAFNHZPHMQX-UHFFFAOYSA-N 0 0 218.098 2.087 10 0 BEAERN CC[C@H](C)Nc1nc2c(s1)NCCC2 ZINC000536959746 323971985 /nfs/dbraw/zinc/97/19/85/323971985.db2.gz UBRPBVGJAMPMLT-ZETCQYMHSA-N 0 0 211.334 2.134 10 0 BEAERN CC(C)n1ncc2ccc(F)cc2c1=O ZINC000536959744 323972145 /nfs/dbraw/zinc/97/21/45/323972145.db2.gz UAGHRVLFMRRFSO-UHFFFAOYSA-N 0 0 206.220 2.117 10 0 BEAERN COC(=O)[C@]12CCO[C@@H]1CC[C@@H](C(C)C)C2 ZINC000536959623 323972151 /nfs/dbraw/zinc/97/21/51/323972151.db2.gz LIDVSOFTYDUBTQ-WZRBSPASSA-N 0 0 226.316 2.391 10 0 BEAERN CCC(C)(CC)NC(=O)N[C@H](COC)C1CC1 ZINC000120047580 323978367 /nfs/dbraw/zinc/97/83/67/323978367.db2.gz MZHIZHCSQXVWMF-LLVKDONJSA-N 0 0 242.363 2.289 10 0 BEAERN CC(C)CCNC(=O)N[C@H]1COc2ccccc21 ZINC000058577401 323989093 /nfs/dbraw/zinc/98/90/93/323989093.db2.gz LAEJCTRTSGXHOB-LBPRGKRZSA-N 0 0 248.326 2.465 10 0 BEAERN COc1ccc2c(c1)CCN2C(=O)NCC1CC1 ZINC000060536156 324038869 /nfs/dbraw/zinc/03/88/69/324038869.db2.gz PVQIDPJQAHPSDN-UHFFFAOYSA-N 0 0 246.310 2.177 10 0 BEAERN COc1ccc2cccnc2c1[C@@H](C)O ZINC000521401801 324202161 /nfs/dbraw/zinc/20/21/61/324202161.db2.gz QBNCTZZPCANVRY-MRVPVSSYSA-N 0 0 203.241 2.297 10 0 BEAERN Cc1nc(N)ccc1-c1cnc(C2CC2)o1 ZINC000530250154 324559627 /nfs/dbraw/zinc/55/96/27/324559627.db2.gz HEFPNSHCKKWSKS-UHFFFAOYSA-N 0 0 215.256 2.335 10 0 BEAERN CC[C@@H](C)N(C)C(=O)NCc1cccc(C)n1 ZINC000124008117 324608059 /nfs/dbraw/zinc/60/80/59/324608059.db2.gz XHBVZSGLEQDPTP-LLVKDONJSA-N 0 0 235.331 2.330 10 0 BEAERN CSCCCCNC(=O)CC(C)C ZINC000125807030 324656040 /nfs/dbraw/zinc/65/60/40/324656040.db2.gz LWQXTCGEQSOZAO-UHFFFAOYSA-N 0 0 203.351 2.292 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@H](C)C1CCOCC1 ZINC000126017343 324674963 /nfs/dbraw/zinc/67/49/63/324674963.db2.gz GIHMNXPMTLBTEQ-WDEREUQCSA-N 0 0 227.348 2.306 10 0 BEAERN CCOCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000066992898 324776531 /nfs/dbraw/zinc/77/65/31/324776531.db2.gz IEMWURSKCVADRU-UHFFFAOYSA-N 0 0 245.322 2.339 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)O1 ZINC000128812299 324886405 /nfs/dbraw/zinc/88/64/05/324886405.db2.gz XKIONHXZVUSLSH-CABZTGNLSA-N 0 0 237.274 2.009 10 0 BEAERN CCC1CCC(NC(=O)c2cc(C)nn2C)CC1 ZINC000129375930 324941942 /nfs/dbraw/zinc/94/19/42/324941942.db2.gz WJZPHNHOFNHDGD-UHFFFAOYSA-N 0 0 249.358 2.427 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2N(C)C)O1 ZINC000130172465 325021103 /nfs/dbraw/zinc/02/11/03/325021103.db2.gz WFZARMUXWUQSRK-MFKMUULPSA-N 0 0 248.326 2.259 10 0 BEAERN CCCOCC(=O)N[C@@H](CC)c1nccs1 ZINC000130648775 325076779 /nfs/dbraw/zinc/07/67/79/325076779.db2.gz CTBFSFBXVCACJO-VIFPVBQESA-N 0 0 242.344 2.137 10 0 BEAERN C(SC1CCOCC1)[C@H]1CCCCO1 ZINC000130697859 325080647 /nfs/dbraw/zinc/08/06/47/325080647.db2.gz YDPGTHWXLKGLHF-SNVBAGLBSA-N 0 0 216.346 2.468 10 0 BEAERN CSCCCCNC(=O)NC(C)(C)C ZINC000130846917 325093768 /nfs/dbraw/zinc/09/37/68/325093768.db2.gz XXRIUVDMGSRMSU-UHFFFAOYSA-N 0 0 218.366 2.227 10 0 BEAERN CC1(C)C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 ZINC000130924787 325102526 /nfs/dbraw/zinc/10/25/26/325102526.db2.gz XJHRTXVSTSNLMW-VIFPVBQESA-N 0 0 243.310 2.225 10 0 BEAERN CCCc1noc(CSC2CCOCC2)n1 ZINC000131057811 325111845 /nfs/dbraw/zinc/11/18/45/325111845.db2.gz MUSKKZBLDMYPHO-UHFFFAOYSA-N 0 0 242.344 2.434 10 0 BEAERN CCc1cc(C)c(C(=O)N(C)c2cnn(C)c2)o1 ZINC000131101334 325115850 /nfs/dbraw/zinc/11/58/50/325115850.db2.gz PVJPHGBIACFFGM-UHFFFAOYSA-N 0 0 247.298 2.161 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000131280599 325133606 /nfs/dbraw/zinc/13/36/06/325133606.db2.gz JUVQRYHGWYGBLZ-NDBYEHHHSA-N 0 0 239.359 2.449 10 0 BEAERN CCC(CC)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000131297099 325134707 /nfs/dbraw/zinc/13/47/07/325134707.db2.gz MLTKIWUUCVWIRC-STQMWFEESA-N 0 0 241.375 2.480 10 0 BEAERN CS[C@@H](C)CNC(=O)c1ccc(C)nc1C ZINC000131316898 325136267 /nfs/dbraw/zinc/13/62/67/325136267.db2.gz MVFQXFMVXNLESY-VIFPVBQESA-N 0 0 238.356 2.180 10 0 BEAERN O=C(NCCC1=CCCC1)C1CCOCC1 ZINC000131318811 325137197 /nfs/dbraw/zinc/13/71/97/325137197.db2.gz ZDHANGRTLCORRM-UHFFFAOYSA-N 0 0 223.316 2.030 10 0 BEAERN CC(C)[C@H](SC1CCOCC1)C(=O)N(C)C ZINC000131565503 325164386 /nfs/dbraw/zinc/16/43/86/325164386.db2.gz HYIKQYKMOMDTRF-NSHDSACASA-N 0 0 245.388 2.011 10 0 BEAERN C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@H](C)O1 ZINC000072793032 325174497 /nfs/dbraw/zinc/17/44/97/325174497.db2.gz AIAGTRNQLRDTBR-UWVGGRQHSA-N 0 0 239.359 2.304 10 0 BEAERN COC[C@H](C)CNc1cc(OC)cc(OC)c1 ZINC000131679653 325177214 /nfs/dbraw/zinc/17/72/14/325177214.db2.gz DIMXFBALJJAOII-SNVBAGLBSA-N 0 0 239.315 2.398 10 0 BEAERN CSCCC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000132299043 325210125 /nfs/dbraw/zinc/21/01/25/325210125.db2.gz SIDUQZSUUFTZSQ-NXEZZACHSA-N 0 0 215.362 2.244 10 0 BEAERN CCc1noc(C)c1NC(=O)CO[C@@H](C)CC ZINC000132825802 325247726 /nfs/dbraw/zinc/24/77/26/325247726.db2.gz WKDFRCVTVZLZEM-QMMMGPOBSA-N 0 0 240.303 2.299 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H]1CCCCO1 ZINC000132905996 325251987 /nfs/dbraw/zinc/25/19/87/325251987.db2.gz ZXBAKWQBONHEOZ-SNVBAGLBSA-N 0 0 238.287 2.053 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccn2)O1 ZINC000133287290 325282340 /nfs/dbraw/zinc/28/23/40/325282340.db2.gz HRUQTDAKDQFTKF-CBAPKCEASA-N 0 0 240.690 2.241 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)o1 ZINC000076362493 325342314 /nfs/dbraw/zinc/34/23/14/325342314.db2.gz STIZYRYGPUYXLV-HTQZYQBOSA-N 0 0 243.690 2.182 10 0 BEAERN COCC1CCN(C(=O)CCCSC)CC1 ZINC000134920344 325382836 /nfs/dbraw/zinc/38/28/36/325382836.db2.gz SNBKFWSBAKJBQV-UHFFFAOYSA-N 0 0 245.388 2.015 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2cc(C)nn2C)o1 ZINC000134916148 325382873 /nfs/dbraw/zinc/38/28/73/325382873.db2.gz MOXSSPZMFFDHHG-UHFFFAOYSA-N 0 0 247.298 2.445 10 0 BEAERN CCOCCNC(=O)c1cc(CC)c(CC)o1 ZINC000135037050 325389925 /nfs/dbraw/zinc/38/99/25/325389925.db2.gz DCFDWOUNQYVYHD-UHFFFAOYSA-N 0 0 239.315 2.171 10 0 BEAERN CCc1ncsc1C(=O)N[C@H](C)C(C)C ZINC000136573570 325460920 /nfs/dbraw/zinc/46/09/20/325460920.db2.gz OCACCLFRNXJQMP-MRVPVSSYSA-N 0 0 226.345 2.480 10 0 BEAERN CCc1ncsc1C(=O)N[C@@H](C)C(C)C ZINC000136573526 325460905 /nfs/dbraw/zinc/46/09/05/325460905.db2.gz OCACCLFRNXJQMP-QMMMGPOBSA-N 0 0 226.345 2.480 10 0 BEAERN CO[C@H](C)c1cccc(NC(=O)C2CC(=O)C2)c1 ZINC000136856758 325470882 /nfs/dbraw/zinc/47/08/82/325470882.db2.gz HFGSBTIUBFWEOH-SECBINFHSA-N 0 0 247.294 2.312 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000247375349 325590359 /nfs/dbraw/zinc/59/03/59/325590359.db2.gz DVMXVXABJAAQHO-VLEAKVRGSA-N 0 0 210.321 2.225 10 0 BEAERN C[C@@H]1CCC[C@H]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248902471 325627020 /nfs/dbraw/zinc/62/70/20/325627020.db2.gz ALLIGYSEPHDFSZ-LPWJVIDDSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCC2(C)CCCC2)O1 ZINC000153562175 326102590 /nfs/dbraw/zinc/10/25/90/326102590.db2.gz VSGBCUZMMWGVGB-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN CCc1oc(C(=O)N[C@H]2C[C@H]2C)cc1C ZINC000154053202 326127172 /nfs/dbraw/zinc/12/71/72/326127172.db2.gz MQNNSEWIXWDVIU-APPZFPTMSA-N 0 0 207.273 2.289 10 0 BEAERN CCN(C(=O)[C@H]1CC[C@H](C)O1)c1ccncc1 ZINC000155350418 326193281 /nfs/dbraw/zinc/19/32/81/326193281.db2.gz UUCOVJSLLBZATC-CMPLNLGQSA-N 0 0 234.299 2.002 10 0 BEAERN CC(C)c1nccnc1NCCOC(C)(C)C ZINC000567586631 326223750 /nfs/dbraw/zinc/22/37/50/326223750.db2.gz FDYNYMVTTNCQBB-UHFFFAOYSA-N 0 0 237.347 2.249 10 0 BEAERN CC1(C(=O)N[C@H]2CCCC[C@H]2O)CCCCC1 ZINC000156430959 326232929 /nfs/dbraw/zinc/23/29/29/326232929.db2.gz UYQNEBSLAXXEHB-NWDGAFQWSA-N 0 0 239.359 2.377 10 0 BEAERN CCC(C)(C)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000163626521 326404193 /nfs/dbraw/zinc/40/41/93/326404193.db2.gz IMEXWBMUCVLRSH-ZJUUUORDSA-N 0 0 228.336 2.042 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)nc1 ZINC000666038657 487993657 /nfs/dbraw/zinc/99/36/57/487993657.db2.gz WSKRXTPPYZOUJE-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978170 488014640 /nfs/dbraw/zinc/01/46/40/488014640.db2.gz GEUCHVILYKGIGH-SWLSCSKDSA-N 0 0 245.322 2.265 10 0 BEAERN O=C([O-])C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978085 488014657 /nfs/dbraw/zinc/01/46/57/488014657.db2.gz RHTFBPXWVLVNAL-QWHCGFSZSA-N 0 0 245.322 2.265 10 0 BEAERN O=[N+]([O-])c1cc2c(Cl)n[nH]c2cc1F ZINC000147733422 488026175 /nfs/dbraw/zinc/02/61/75/488026175.db2.gz OCBXGVWBWHVZMO-UHFFFAOYSA-N 0 0 215.571 2.264 10 0 BEAERN OC1CC(CNc2nccc3sccc32)C1 ZINC000084448763 488053087 /nfs/dbraw/zinc/05/30/87/488053087.db2.gz OXOFRRRPUMEXMJ-UHFFFAOYSA-N 0 0 234.324 2.479 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1ccc(N)nc1 ZINC000125917320 488091784 /nfs/dbraw/zinc/09/17/84/488091784.db2.gz XWMCEHNDCZCZIX-LBPRGKRZSA-N 0 0 247.342 2.459 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCC[C@@H](O)C1)C(C)(C)C ZINC000673904601 487474717 /nfs/dbraw/zinc/47/47/17/487474717.db2.gz BYLMIEJUZDAHMW-OUAUKWLOSA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405384421 487483010 /nfs/dbraw/zinc/48/30/10/487483010.db2.gz FNFXYALHDNPERD-QWRGUYRKSA-N 0 0 225.332 2.218 10 0 BEAERN O=C(Nc1cnoc1)c1cccc2[nH]ccc21 ZINC000061685803 487478179 /nfs/dbraw/zinc/47/81/79/487478179.db2.gz HNFJAOQYACKBMJ-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534418 487489746 /nfs/dbraw/zinc/48/97/46/487489746.db2.gz OFMGTKWSNRBMQX-QWRGUYRKSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc2ccc(N)cc2s1 ZINC000149276325 487512398 /nfs/dbraw/zinc/51/23/98/487512398.db2.gz SKFLTKHWZGMLSH-VXNVDRBHSA-N 0 0 249.339 2.468 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000677807369 488128130 /nfs/dbraw/zinc/12/81/30/488128130.db2.gz IERHYXDTVYSLEH-ZJUUUORDSA-N 0 0 231.299 2.278 10 0 BEAERN CCOc1cccc(N[C@@H]2CO[C@H](C3CC3)C2)n1 ZINC000667906903 488152207 /nfs/dbraw/zinc/15/22/07/488152207.db2.gz ATTITONXUBETCW-RYUDHWBXSA-N 0 0 248.326 2.460 10 0 BEAERN COC[C@@H](C)Nc1cccc(C(=O)OC)c1C ZINC000053173709 488167495 /nfs/dbraw/zinc/16/74/95/488167495.db2.gz VFAVFCQDIUVDDE-SECBINFHSA-N 0 0 237.299 2.228 10 0 BEAERN C[C@@H](CO)N(C)C(=O)Nc1cccc(Cl)c1 ZINC000136623826 488183885 /nfs/dbraw/zinc/18/38/85/488183885.db2.gz MIFQHVBAGFYULT-QMMMGPOBSA-N 0 0 242.706 2.185 10 0 BEAERN OCc1cccc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000668033249 488191748 /nfs/dbraw/zinc/19/17/48/488191748.db2.gz WUSRAMCTRQXKCP-KGLIPLIRSA-N 0 0 233.311 2.158 10 0 BEAERN Cc1cccc(CC(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000120329942 490060347 /nfs/dbraw/zinc/06/03/47/490060347.db2.gz FYKSHOKROZOVKV-CYBMUJFWSA-N 0 0 249.354 2.061 10 0 BEAERN C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(F)cn1 ZINC000220750596 490142112 /nfs/dbraw/zinc/14/21/12/490142112.db2.gz AMPFXKZQYQEAKI-MVWJERBFSA-N 0 0 238.306 2.175 10 0 BEAERN Fc1ccc(N2CCN[C@H](C(F)(F)F)C2)cc1 ZINC000584646562 490183448 /nfs/dbraw/zinc/18/34/48/490183448.db2.gz YIZHNRNDAAOCLT-JTQLQIEISA-N 0 0 248.223 2.166 10 0 BEAERN Cc1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]2C)o1 ZINC000194201079 490274030 /nfs/dbraw/zinc/27/40/30/490274030.db2.gz JUTBAQMMBSTCCC-GZMMTYOYSA-N 0 0 222.288 2.138 10 0 BEAERN Cc1cc(N)nc(N2CCCc3ccccc32)n1 ZINC000074934129 490309648 /nfs/dbraw/zinc/30/96/48/490309648.db2.gz LLAOFBODRDSYED-UHFFFAOYSA-N 0 0 240.310 2.452 10 0 BEAERN COc1cccc(C(=O)N[C@@H](C)C2CCC2)c1O ZINC000125895233 490470134 /nfs/dbraw/zinc/47/01/34/490470134.db2.gz TZHADWDOPIMZLX-VIFPVBQESA-N 0 0 249.310 2.319 10 0 BEAERN CCc1ccc(CNC(=O)[C@H](C)COC)s1 ZINC000103379903 490673705 /nfs/dbraw/zinc/67/37/05/490673705.db2.gz QFYHKFCTTYVDKP-SECBINFHSA-N 0 0 241.356 2.209 10 0 BEAERN C[C@@H](NC(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000194702874 491068375 /nfs/dbraw/zinc/06/83/75/491068375.db2.gz DXKZLXCPWIJBDD-SKDRFNHKSA-N 0 0 246.310 2.218 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@H](CO)CC1 ZINC000413304725 491090357 /nfs/dbraw/zinc/09/03/57/491090357.db2.gz YJMDALMCYUMKQU-GFCCVEGCSA-N 0 0 249.358 2.199 10 0 BEAERN Cc1ccsc1C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399235967 491123369 /nfs/dbraw/zinc/12/33/69/491123369.db2.gz HICPXHCTHDQGGB-VHSXEESVSA-N 0 0 239.340 2.042 10 0 BEAERN COc1ccccc1[C@@H](C)[NH2+]C1CSC1 ZINC000215965529 491124846 /nfs/dbraw/zinc/12/48/46/491124846.db2.gz CXMIJDSPXAGPFC-SECBINFHSA-N 0 0 223.341 2.461 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(Cl)nn1 ZINC000082643224 491126237 /nfs/dbraw/zinc/12/62/37/491126237.db2.gz MHTGBUQUDMBSRI-UHFFFAOYSA-N 0 0 214.652 2.085 10 0 BEAERN CCN(CCc1nccs1)C(=O)[C@H]1C[C@@H]1C ZINC000131858750 491133503 /nfs/dbraw/zinc/13/35/03/491133503.db2.gz WZOSNEOWUOHSDJ-UWVGGRQHSA-N 0 0 238.356 2.190 10 0 BEAERN Cc1nc([C@@H](C)NCc2csnn2)cs1 ZINC000133116842 491146875 /nfs/dbraw/zinc/14/68/75/491146875.db2.gz NAZAKODVFGRDFI-ZCFIWIBFSA-N 0 0 240.357 2.154 10 0 BEAERN C(C[C@@H]1CCCO1)Nc1nnc(C2CC2)s1 ZINC000309584815 491151225 /nfs/dbraw/zinc/15/12/25/491151225.db2.gz UZBIUGKUVIDQHJ-VIFPVBQESA-N 0 0 239.344 2.397 10 0 BEAERN Cc1nn(Cc2cccs2)c(C)c1N ZINC000019869479 582458707 /nfs/dbraw/zinc/45/87/07/582458707.db2.gz IIHUFEYIMIFVBF-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN Cc1nnc(-c2c(N)sc(C)c2C)n1C ZINC000104839548 582459101 /nfs/dbraw/zinc/45/91/01/582459101.db2.gz DOHIRVUZKWXQEE-UHFFFAOYSA-N 0 0 222.317 2.051 10 0 BEAERN CC(=O)c1cnc([C@H](O)[C@@H]2C[C@H]2C)s1 ZINC000757133907 582510128 /nfs/dbraw/zinc/51/01/28/582510128.db2.gz XSHQJIIZBMBHCU-SLBFFKMLSA-N 0 0 211.286 2.035 10 0 BEAERN COC(=O)[C@H](NC1CC1)c1ccc(Cl)cc1 ZINC000037459454 582518319 /nfs/dbraw/zinc/51/83/19/582518319.db2.gz IUZWRQXEDYTKTR-LLVKDONJSA-N 0 0 239.702 2.306 10 0 BEAERN C[C@@H]1CCC[C@]2(C1)NCC(F)(F)CO2 ZINC000757150311 582534518 /nfs/dbraw/zinc/53/45/18/582534518.db2.gz PKYKJBHZHGJQHR-SCZZXKLOSA-N 0 0 205.248 2.148 10 0 BEAERN C[C@H]1O[C@@]2(CCCSC2)[NH2+]CC1(C)C ZINC000757153526 582538127 /nfs/dbraw/zinc/53/81/27/582538127.db2.gz XEXVTGXWDPFJOA-MWLCHTKSSA-N 0 0 215.362 2.244 10 0 BEAERN C[C@@H]1CNc2c3ccc(F)cc3nn2C1 ZINC000235280525 582538473 /nfs/dbraw/zinc/53/84/73/582538473.db2.gz VWLNPZAKNMIOBR-SSDOTTSWSA-N 0 0 205.236 2.237 10 0 BEAERN CC1(C)CC[C@]2(C1)NCC(F)(F)CO2 ZINC000757154377 582538964 /nfs/dbraw/zinc/53/89/64/582538964.db2.gz ZZYADTKELUFIGH-JTQLQIEISA-N 0 0 205.248 2.148 10 0 BEAERN Cc1cnn2c1NCC[C@@H]2[C@@H]1CC[C@@H](C)O1 ZINC000235385886 582575601 /nfs/dbraw/zinc/57/56/01/582575601.db2.gz CARYNJNOXRIHDV-MXWKQRLJSA-N 0 0 221.304 2.116 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2c3cccnc3nn21 ZINC000235741522 582606122 /nfs/dbraw/zinc/60/61/22/582606122.db2.gz VCRVEQVVIKUDAB-JGVFFNPUSA-N 0 0 202.261 2.196 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CCC(C)(C)C2 ZINC000234591724 582642015 /nfs/dbraw/zinc/64/20/15/582642015.db2.gz SHCVFWWNQWFTSR-VHSXEESVSA-N 0 0 218.680 2.074 10 0 BEAERN O=C1C[C@H](c2ccc(F)cc2Cl)CN1 ZINC000238592334 582671846 /nfs/dbraw/zinc/67/18/46/582671846.db2.gz MWRJKXNJIDTKBK-LURJTMIESA-N 0 0 213.639 2.083 10 0 BEAERN O[C@@H](Cc1ccccc1Cl)c1cn[nH]c1 ZINC000379846504 582684170 /nfs/dbraw/zinc/68/41/70/582684170.db2.gz HXVSJSVMQYPUHF-NSHDSACASA-N 0 0 222.675 2.339 10 0 BEAERN Nc1ccn(C[C@@H]2CCCCC2(F)F)n1 ZINC000381505064 582689568 /nfs/dbraw/zinc/68/95/68/582689568.db2.gz JTDYDLNIWDPXOQ-QMMMGPOBSA-N 0 0 215.247 2.121 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1ccc(CO)c(C)c1 ZINC000050583042 535844366 /nfs/dbraw/zinc/84/43/66/535844366.db2.gz WGITZRDXDDMHQI-GXTWGEPZSA-N 0 0 249.354 2.491 10 0 BEAERN O=C1Nc2cccnc2N[C@@H]2CCCC[C@H]12 ZINC000082369069 518202578 /nfs/dbraw/zinc/20/25/78/518202578.db2.gz ZZJJKUSNQNHGMH-DTWKUNHWSA-N 0 0 217.272 2.004 10 0 BEAERN O=C1NC[C@H](c2ccccc2F)C12CCC2 ZINC000536951464 518202594 /nfs/dbraw/zinc/20/25/94/518202594.db2.gz RAAQVTMCNRWXHR-SNVBAGLBSA-N 0 0 219.259 2.209 10 0 BEAERN CC(C)O[C@@H](C)Cn1cc(Br)cn1 ZINC000072219937 519776698 /nfs/dbraw/zinc/77/66/98/519776698.db2.gz SBFQQSLTCQMDHB-QMMMGPOBSA-N 0 0 247.136 2.459 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC1(C)C)[C@H]1CCOC1 ZINC000127699203 582818774 /nfs/dbraw/zinc/81/87/74/582818774.db2.gz YWBRFXNULULQLY-LPEHRKFASA-N 0 0 212.289 2.001 10 0 BEAERN CN[C@@](C)(Cc1cccc(Cl)c1)C(=O)OC ZINC000095533077 522422700 /nfs/dbraw/zinc/42/27/00/522422700.db2.gz MOTFWDKLPBJXAC-LBPRGKRZSA-N 0 0 241.718 2.034 10 0 BEAERN CN[C@](C)(Cc1cccc(Cl)c1)C(=O)OC ZINC000095533076 522525215 /nfs/dbraw/zinc/52/52/15/522525215.db2.gz MOTFWDKLPBJXAC-GFCCVEGCSA-N 0 0 241.718 2.034 10 0 BEAERN Cc1cccc(Br)c1CCO ZINC000390823524 524160383 /nfs/dbraw/zinc/16/03/83/524160383.db2.gz BVVIVXCHQUJFMG-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN Cc1cc(=O)[nH]c2nnc(C3CCCCC3)n21 ZINC000334162876 525349565 /nfs/dbraw/zinc/34/95/65/525349565.db2.gz SSXXHIHMVPCQGM-UHFFFAOYSA-N 0 0 232.287 2.186 10 0 BEAERN Cc1c(Br)c(F)ccc1CO ZINC000221250505 525524042 /nfs/dbraw/zinc/52/40/42/525524042.db2.gz JWLYRAOTLQDLHR-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178718000 534908857 /nfs/dbraw/zinc/90/88/57/534908857.db2.gz TTXFEHDFXRQYFE-NWDGAFQWSA-N 0 0 249.310 2.169 10 0 BEAERN C1CO[C@H](c2nnnn2C2CCCCC2)C1 ZINC000504123395 526424099 /nfs/dbraw/zinc/42/40/99/526424099.db2.gz XJUAMBSDQJBPIG-JTQLQIEISA-N 0 0 222.292 2.030 10 0 BEAERN CN1CCOc2cc(Cl)c(N)c(Cl)c21 ZINC000062530785 536446477 /nfs/dbraw/zinc/44/64/77/536446477.db2.gz DCEBAAMFUXBDLY-UHFFFAOYSA-N 0 0 233.098 2.404 10 0 BEAERN Cc1noc(NCCc2ccccc2)n1 ZINC000057353890 526641427 /nfs/dbraw/zinc/64/14/27/526641427.db2.gz PPDFUOHVSBJVQB-UHFFFAOYSA-N 0 0 203.245 2.033 10 0 BEAERN CCCC(CCC)C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401934061 527994817 /nfs/dbraw/zinc/99/48/17/527994817.db2.gz DLDPTLQRMWUSLQ-AAEUAGOBSA-N 0 0 241.375 2.432 10 0 BEAERN CCSCC[C@H](C)NC(=O)N[C@@H]1C[C@@H]1C ZINC000176344982 529193822 /nfs/dbraw/zinc/19/38/22/529193822.db2.gz RQYDWXFNLPZEST-LPEHRKFASA-N 0 0 230.377 2.226 10 0 BEAERN CC(C)CN(C(=O)[C@@H]1CC[C@H](C)O1)C(C)C ZINC000178188500 535011520 /nfs/dbraw/zinc/01/15/20/535011520.db2.gz QNDUIQIFKAXKLK-RYUDHWBXSA-N 0 0 227.348 2.447 10 0 BEAERN CC(C)[C@]1(C)C[C@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000185949303 535294357 /nfs/dbraw/zinc/29/43/57/535294357.db2.gz BOWAOZBDKRUSSB-OPDFLTKYSA-N 0 0 239.359 2.304 10 0 BEAERN CCO[C@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000110280440 535621390 /nfs/dbraw/zinc/62/13/90/535621390.db2.gz IYDKFEIDSLZSKL-LBPRGKRZSA-N 0 0 247.342 2.359 10 0 BEAERN CCOc1c(F)cccc1C(=O)N[C@H]1C[C@H]1C ZINC000173032795 535655109 /nfs/dbraw/zinc/65/51/09/535655109.db2.gz VNRDTIAAYZVQHP-KCJUWKMLSA-N 0 0 237.274 2.363 10 0 BEAERN CCO[C@@H](C)c1nc([C@H]2CCCO2)no1 ZINC000408227587 535733102 /nfs/dbraw/zinc/73/31/02/535733102.db2.gz XVLLUSNBMMOSAL-JGVFFNPUSA-N 0 0 212.249 2.019 10 0 BEAERN CC[C@H]1CN(c2ccc(F)cc2C=O)CCO1 ZINC000036770178 536160614 /nfs/dbraw/zinc/16/06/14/536160614.db2.gz UOJBWPOJFACRNF-LBPRGKRZSA-N 0 0 237.274 2.253 10 0 BEAERN c1cc2c(o1)CC[NH2+][C@@H]2[C@@H]1CCCCO1 ZINC000702581437 582927105 /nfs/dbraw/zinc/92/71/05/582927105.db2.gz TUGMPXCBRHFEMD-RYUDHWBXSA-N 0 0 207.273 2.036 10 0 BEAERN CN1C(=O)COc2c(Cl)ccc(Cl)c21 ZINC000062530381 536314420 /nfs/dbraw/zinc/31/44/20/536314420.db2.gz BHQZKFZRKSYPSQ-UHFFFAOYSA-N 0 0 232.066 2.349 10 0 BEAERN Cn1nccc1-c1cc(=O)c2cc(F)ccc2[nH]1 ZINC000725257082 538060932 /nfs/dbraw/zinc/06/09/32/538060932.db2.gz GPCOIXKNTGEKCX-UHFFFAOYSA-N 0 0 243.241 2.068 10 0 BEAERN CCC(=O)NC[C@H]1CCCc2ccccc2N1 ZINC000725262921 538089210 /nfs/dbraw/zinc/08/92/10/538089210.db2.gz SXTWWUPDXNQFLA-GFCCVEGCSA-N 0 0 232.327 2.330 10 0 BEAERN C[C@H]1CN(c2csc(C=O)c2)CCCO1 ZINC000160554121 538884989 /nfs/dbraw/zinc/88/49/89/538884989.db2.gz PNKDWTMIFYQNHX-VIFPVBQESA-N 0 0 225.313 2.176 10 0 BEAERN FC(F)(F)c1ccccc1[C@@H]1COCCN1 ZINC000076136655 566281257 /nfs/dbraw/zinc/28/12/57/566281257.db2.gz LRDXWBLDLLMHAP-JTQLQIEISA-N 0 0 231.217 2.366 10 0 BEAERN Nc1nc(Br)n(C2CCCCC2)n1 ZINC000725248674 566301799 /nfs/dbraw/zinc/30/17/99/566301799.db2.gz FRTZPQZNXXOOMG-UHFFFAOYSA-N 0 0 245.124 2.128 10 0 BEAERN CC[NH2+][C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000725260956 566308038 /nfs/dbraw/zinc/30/80/38/566308038.db2.gz AWTQGTOVTRYDNN-CQSZACIVSA-N 0 0 243.306 2.445 10 0 BEAERN CCC(C)(C)c1coc(C[NH2+]C)c1C(=O)[O-] ZINC000675051897 566374823 /nfs/dbraw/zinc/37/48/23/566374823.db2.gz WVKNBRLELLXABN-UHFFFAOYSA-N 0 0 225.288 2.385 10 0 BEAERN CCCN=[S@@](=O)(NCC)c1cccc(N)c1 ZINC000675073962 566454227 /nfs/dbraw/zinc/45/42/27/566454227.db2.gz CMBZUVAGZJVDSX-INIZCTEOSA-N 0 0 241.360 2.030 10 0 BEAERN C[C@H](C(=O)[C@@H]1C[C@H]1C)C(=O)C(C)(F)F ZINC000321702730 566482741 /nfs/dbraw/zinc/48/27/41/566482741.db2.gz DKTSUKDJLDDREX-FSDSQADBSA-N 0 0 204.216 2.072 10 0 BEAERN CCOC(=O)c1cnc(C2CC2)nc1CC ZINC000230388999 566489566 /nfs/dbraw/zinc/48/95/66/566489566.db2.gz CIPRJNHILCMMDV-UHFFFAOYSA-N 0 0 220.272 2.093 10 0 BEAERN Cc1nc2ccc(C)cn2c1-c1cc[nH]n1 ZINC000006694406 560206332 /nfs/dbraw/zinc/20/63/32/560206332.db2.gz FLABUTFVIDAMFH-UHFFFAOYSA-N 0 0 212.256 2.341 10 0 in-vitro BEAERN COC(CC(=O)[C@]12C[C@H]1CCCC2)OC ZINC000709155514 582992764 /nfs/dbraw/zinc/99/27/64/582992764.db2.gz SFYHMPMQVNBCQY-BXKDBHETSA-N 0 0 212.289 2.145 10 0 BEAERN Cc1nonc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000112010717 588779808 /nfs/dbraw/zinc/77/98/08/588779808.db2.gz DYQBGCJTCVTPRK-SECBINFHSA-N 0 0 245.282 2.195 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)OC[C@@H]1CCOC1 ZINC000112119710 588782652 /nfs/dbraw/zinc/78/26/52/588782652.db2.gz UJSSLGOBTRPDQV-TZMCWYRMSA-N 0 0 248.322 2.445 10 0 BEAERN CO[C@H](C)CC(=O)OCCSC(C)(C)C ZINC000112763425 588816313 /nfs/dbraw/zinc/81/63/13/588816313.db2.gz HKJIMGKOVYSKAD-SECBINFHSA-N 0 0 234.361 2.486 10 0 BEAERN COC[C@@H](C)C(=O)OCCSC(C)(C)C ZINC000112763946 588816469 /nfs/dbraw/zinc/81/64/69/588816469.db2.gz QZNDVUWJQXUBDV-SECBINFHSA-N 0 0 234.361 2.344 10 0 BEAERN CCc1nc(C(=O)[C@@H]2C[C@H]2C)sc1N ZINC000757121680 582497425 /nfs/dbraw/zinc/49/74/25/582497425.db2.gz BRBLRBXSRAXVKM-PHDIDXHHSA-N 0 0 210.302 2.126 10 0 BEAERN CCCC(=O)c1nc(C2(C)OCCO2)cs1 ZINC000757122499 582497748 /nfs/dbraw/zinc/49/77/48/582497748.db2.gz DKCYVAWNUFUWAA-UHFFFAOYSA-N 0 0 241.312 2.345 10 0 BEAERN CCc1nc(C(=O)C(F)(F)F)sc1N ZINC000757122558 582497974 /nfs/dbraw/zinc/49/79/74/582497974.db2.gz DTAREICMZJHNCZ-UHFFFAOYSA-N 0 0 224.207 2.033 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)c1ncc(C2OCCO2)s1 ZINC000757124846 582499230 /nfs/dbraw/zinc/49/92/30/582499230.db2.gz PQCUKSJWVYJJKE-RQJHMYQMSA-N 0 0 239.296 2.027 10 0 BEAERN CCCC[C@@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757124063 582499424 /nfs/dbraw/zinc/49/94/24/582499424.db2.gz BVEUKJMQEBBPLU-SECBINFHSA-N 0 0 228.361 2.395 10 0 BEAERN C[C@@H](CCCO)Nc1ccc2c(c1)CCN2C ZINC000757124073 582499503 /nfs/dbraw/zinc/49/95/03/582499503.db2.gz BNWFDLVSJMAOEQ-NSHDSACASA-N 0 0 234.343 2.252 10 0 BEAERN Cc1nc([C@@H](O)C(C)(C)C)sc1C=O ZINC000757124076 582499669 /nfs/dbraw/zinc/49/96/69/582499669.db2.gz BZKKDUQMNWALQD-MRVPVSSYSA-N 0 0 213.302 2.344 10 0 BEAERN CCc1nc(C(=O)C2CCC2)sc1N ZINC000757127177 582502771 /nfs/dbraw/zinc/50/27/71/582502771.db2.gz YAMNGKWILDJDOV-UHFFFAOYSA-N 0 0 210.302 2.271 10 0 BEAERN CN1CCc2cc(NCC(F)F)ccc21 ZINC000757128332 582503074 /nfs/dbraw/zinc/50/30/74/582503074.db2.gz KPDNZCWWVROBIF-UHFFFAOYSA-N 0 0 212.243 2.356 10 0 BEAERN CN1CCc2cc(NCc3cc[nH]n3)ccc21 ZINC000757127946 582503345 /nfs/dbraw/zinc/50/33/45/582503345.db2.gz IGKOUVHLWSOGBM-UHFFFAOYSA-N 0 0 228.299 2.014 10 0 BEAERN COC(=O)c1sc([C@H](O)C2CCC2)nc1C ZINC000757128411 582503576 /nfs/dbraw/zinc/50/35/76/582503576.db2.gz KSMPZZAXBRTULZ-MRVPVSSYSA-N 0 0 241.312 2.072 10 0 BEAERN Cn1ccc2cc(NC[C@H](O)C3CC3)ccc21 ZINC000757129124 582504735 /nfs/dbraw/zinc/50/47/35/582504735.db2.gz KVENICGESFXGKE-AWEZNQCLSA-N 0 0 230.311 2.361 10 0 BEAERN CC[C@H](C)[C@H](O)c1nc(C(C)=O)cs1 ZINC000757130213 582505479 /nfs/dbraw/zinc/50/54/79/582505479.db2.gz OEFGWKRDWIQBNE-RCOVLWMOSA-N 0 0 213.302 2.425 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccc2c(c1)CCN2C ZINC000757132999 582509092 /nfs/dbraw/zinc/50/90/92/582509092.db2.gz SIHAQOKGJYLQTH-GWCFXTLKSA-N 0 0 232.327 2.268 10 0 BEAERN CCc1nc([C@H](O)C(C)(C)F)sc1N ZINC000757133847 582510264 /nfs/dbraw/zinc/51/02/64/582510264.db2.gz WWBMRJSRMRSBMA-LURJTMIESA-N 0 0 218.297 2.069 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccc2c(c1)CCN2C ZINC000757133865 582510380 /nfs/dbraw/zinc/51/03/80/582510380.db2.gz VKNCKGVCIVOJOD-BXKDBHETSA-N 0 0 202.301 2.499 10 0 BEAERN CC(=O)c1cnc([C@H](O)[C@@H]2C[C@@H]2C)s1 ZINC000757133906 582510685 /nfs/dbraw/zinc/51/06/85/582510685.db2.gz XSHQJIIZBMBHCU-MTQIGAJGSA-N 0 0 211.286 2.035 10 0 BEAERN Cc1cc(CC(=O)[C@H](C)O)ccc1Cl ZINC000757150100 582533653 /nfs/dbraw/zinc/53/36/53/582533653.db2.gz DVHNKHIWSJOIFE-QMMMGPOBSA-N 0 0 212.676 2.141 10 0 BEAERN Cc1cc(C[C@@H]2COC[C@@H]2O)ccc1Cl ZINC000757150641 582535017 /nfs/dbraw/zinc/53/50/17/582535017.db2.gz FSAJFVDUINQHLQ-PWSUYJOCSA-N 0 0 226.703 2.198 10 0 BEAERN CCCc1nccn1-c1cccnc1C=O ZINC000757164060 582545911 /nfs/dbraw/zinc/54/59/11/582545911.db2.gz RSABIWKLHSZYEN-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN CCOC[C@H](O)CSCc1occc1C ZINC000757166474 582547754 /nfs/dbraw/zinc/54/77/54/582547754.db2.gz UWADUSMXAQABKF-JTQLQIEISA-N 0 0 230.329 2.219 10 0 BEAERN CCC1(CC)[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168649 582549662 /nfs/dbraw/zinc/54/96/62/582549662.db2.gz KGSZBYSUAKPKHK-VHSXEESVSA-N 0 0 243.347 2.451 10 0 BEAERN CC[C@]1(C)[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168754 582549856 /nfs/dbraw/zinc/54/98/56/582549856.db2.gz MCCMQTOGEMHFPC-SBMIAAHKSA-N 0 0 229.320 2.061 10 0 BEAERN CC[C@]1(C)[C@H](O)C[C@H]1NC(=O)OC(C)(C)C ZINC000757168751 582550252 /nfs/dbraw/zinc/55/02/52/582550252.db2.gz MCCMQTOGEMHFPC-LNLATYFQSA-N 0 0 229.320 2.061 10 0 BEAERN NOCCCSCc1ccc(Cl)o1 ZINC000757171753 582551170 /nfs/dbraw/zinc/55/11/70/582551170.db2.gz VSEQXELVYFHQHN-UHFFFAOYSA-N 0 0 221.709 2.447 10 0 BEAERN Cc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1Cl ZINC000757185397 582554757 /nfs/dbraw/zinc/55/47/57/582554757.db2.gz UIVDTNDWZYDAAL-UWVGGRQHSA-N 0 0 239.702 2.036 10 0 BEAERN C[C@@H]1C[C@H](C(CO)CO)CC(C)(C)C1 ZINC000757193519 582557726 /nfs/dbraw/zinc/55/77/26/582557726.db2.gz VTKIRIRLMIWFLL-ZJUUUORDSA-N 0 0 200.322 2.050 10 0 BEAERN Cc1cc(Cl)cc([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1 ZINC000757195143 582558615 /nfs/dbraw/zinc/55/86/15/582558615.db2.gz ZXAJNVFMPZMGFQ-QWRGUYRKSA-N 0 0 239.702 2.036 10 0 BEAERN CC(=O)c1ccc([C@@H]2C[C@H](C(=O)[O-])CC[NH2+]2)cc1 ZINC000757209754 582559866 /nfs/dbraw/zinc/55/98/66/582559866.db2.gz CHSOJBIMJNSFFA-OLZOCXBDSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1CCn2nc3cc(F)ccc3c2N1 ZINC000235399643 582576497 /nfs/dbraw/zinc/57/64/97/582576497.db2.gz HMZIREGZMGDJSU-SSDOTTSWSA-N 0 0 205.236 2.380 10 0 BEAERN CCOC(=O)c1ccnc([C@H]2CC2(C)C)n1 ZINC000300759834 582579459 /nfs/dbraw/zinc/57/94/59/582579459.db2.gz WAVSZJRWTBZNDR-MRVPVSSYSA-N 0 0 220.272 2.167 10 0 BEAERN C[C@H]1CCNc2cc(-c3ccncc3)nn21 ZINC000235617487 582596265 /nfs/dbraw/zinc/59/62/65/582596265.db2.gz VOGASGQZQITFBG-VIFPVBQESA-N 0 0 214.272 2.322 10 0 BEAERN C[C@H]1CCn2nc(-c3ccccc3)nc2N1 ZINC000235714656 582604845 /nfs/dbraw/zinc/60/48/45/582604845.db2.gz OOFSOCULPCBFHM-VIFPVBQESA-N 0 0 214.272 2.149 10 0 BEAERN Cc1nn2c(c1C)NCC[C@@H]2[C@@H]1CCCO1 ZINC000236004622 582635820 /nfs/dbraw/zinc/63/58/20/582635820.db2.gz ODCAPOQQXXMRGS-MNOVXSKESA-N 0 0 221.304 2.036 10 0 BEAERN Cc1nc2n(n1)[C@@H](c1ccsc1)CCN2 ZINC000236035883 582636892 /nfs/dbraw/zinc/63/68/92/582636892.db2.gz RRJQJVJNUUZJNI-SECBINFHSA-N 0 0 220.301 2.053 10 0 BEAERN Fc1ccccc1[C@@H]1CCNc2ccnn21 ZINC000236168501 582640214 /nfs/dbraw/zinc/64/02/14/582640214.db2.gz AWRFHADMPBOROB-NSHDSACASA-N 0 0 217.247 2.427 10 0 BEAERN Nc1cnn2c1NCC[C@@H]2C1CCCC1 ZINC000236376166 582654135 /nfs/dbraw/zinc/65/41/35/582654135.db2.gz YXQBTKCEKNOKEY-SNVBAGLBSA-N 0 0 206.293 2.012 10 0 BEAERN NCC(F)(F)CN(Cc1ccccc1)C1CC1 ZINC000306791253 582654404 /nfs/dbraw/zinc/65/44/04/582654404.db2.gz WZPWHXODOIPEGE-UHFFFAOYSA-N 0 0 240.297 2.245 10 0 BEAERN O=Cc1ccc(N2CC[C@@H](C3CC3)C2)o1 ZINC000307451309 582655435 /nfs/dbraw/zinc/65/54/35/582655435.db2.gz QGBGDCWOLZYKAW-SNVBAGLBSA-N 0 0 205.257 2.328 10 0 BEAERN O[C@H](c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000034195206 582673849 /nfs/dbraw/zinc/67/38/49/582673849.db2.gz KQJIDWAEIXKITO-JTQLQIEISA-N 0 0 208.648 2.145 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000034195208 582673983 /nfs/dbraw/zinc/67/39/83/582673983.db2.gz KQJIDWAEIXKITO-SNVBAGLBSA-N 0 0 208.648 2.145 10 0 BEAERN CCOC(CC(=O)C(C)(C)C)OCC ZINC000039398436 582675656 /nfs/dbraw/zinc/67/56/56/582675656.db2.gz NYPPPNXCLLDFLX-UHFFFAOYSA-N 0 0 202.294 2.391 10 0 BEAERN Nc1ccc(=O)n(Cc2csc(Cl)c2)c1 ZINC000378978648 582676570 /nfs/dbraw/zinc/67/65/70/582676570.db2.gz CWAAUTOHFFTLQS-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN Cc1cn(C[C@@H]2CCC[C@H](C)C2)nc1N ZINC000379948720 582684909 /nfs/dbraw/zinc/68/49/09/582684909.db2.gz DODGNGRLCNAMBJ-GXSJLCMTSA-N 0 0 207.321 2.430 10 0 BEAERN CC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000215085597 582687318 /nfs/dbraw/zinc/68/73/18/582687318.db2.gz RAJZCIOEJRDKLT-JTQLQIEISA-N 0 0 227.304 2.223 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccnc(Cl)c1F ZINC000891506977 582693616 /nfs/dbraw/zinc/69/36/16/582693616.db2.gz NLMUAWJGJCIBSV-ZCFIWIBFSA-N 0 0 246.669 2.095 10 0 BEAERN C[C@@H](Cn1cc(Br)c(N)n1)C1CC1 ZINC000725249719 582743041 /nfs/dbraw/zinc/74/30/41/582743041.db2.gz CHVXIWNGOHJPSH-LURJTMIESA-N 0 0 244.136 2.274 10 0 BEAERN CSCCC(=O)OCc1ccoc1C ZINC000113677605 588848218 /nfs/dbraw/zinc/84/82/18/588848218.db2.gz XZMICFRZKVGTKV-UHFFFAOYSA-N 0 0 214.286 2.384 10 0 BEAERN CCO[C@@H](C)C(=O)OCc1ccoc1C ZINC000113677089 588848278 /nfs/dbraw/zinc/84/82/78/588848278.db2.gz ZWXBSZJLADDTHC-VIFPVBQESA-N 0 0 212.245 2.056 10 0 BEAERN COC[C@@H](C)OC(=O)CSC(C)(C)C ZINC000113681361 588849776 /nfs/dbraw/zinc/84/97/76/588849776.db2.gz WYVPZGACZXGKGT-MRVPVSSYSA-N 0 0 220.334 2.096 10 0 BEAERN CC(C(=O)C(F)F)=C(O)C1CCCC1 ZINC000387403440 582865196 /nfs/dbraw/zinc/86/51/96/582865196.db2.gz BDEZNGTVNCYHCO-ZCFIWIBFSA-N 0 0 204.216 2.216 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccc2ccccc2n1 ZINC000223728882 582874018 /nfs/dbraw/zinc/87/40/18/582874018.db2.gz KBMKBUVDDDUWIF-VHSXEESVSA-N 0 0 216.284 2.416 10 0 BEAERN CCCCCCn1c(C)c(N)ccc1=O ZINC000389650162 582881361 /nfs/dbraw/zinc/88/13/61/582881361.db2.gz VLMFTFAAGUAWRW-UHFFFAOYSA-N 0 0 208.305 2.319 10 0 BEAERN Cc1ccc([C@@H](O)c2cn[nH]c2)c(Cl)c1 ZINC000704488773 582943917 /nfs/dbraw/zinc/94/39/17/582943917.db2.gz QBQYCRZXWVBNED-NSHDSACASA-N 0 0 222.675 2.453 10 0 BEAERN Nc1cnn(C[C@@H]2CCCCC2(F)F)c1 ZINC000394494164 582987837 /nfs/dbraw/zinc/98/78/37/582987837.db2.gz SYDNIQGJKBCNJO-QMMMGPOBSA-N 0 0 215.247 2.291 10 0 BEAERN CCOCCC(=O)C(C)=C(O)C(C)(C)C ZINC000395492360 583059338 /nfs/dbraw/zinc/05/93/38/583059338.db2.gz ZQKQEYANKQAQES-SECBINFHSA-N 0 0 214.305 2.233 10 0 BEAERN CC(C(=O)C(C)(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397573378 583102364 /nfs/dbraw/zinc/10/23/64/583102364.db2.gz FLEDBZXCPZHXTL-BQBZGAKWSA-N 0 0 218.243 2.462 10 0 BEAERN CC[C@@H](C(=O)C(F)F)C(=O)[C@@H]1CC1(C)C ZINC000397717407 583108060 /nfs/dbraw/zinc/10/80/60/583108060.db2.gz VCUSUVQKZDKFLP-RQJHMYQMSA-N 0 0 218.243 2.462 10 0 BEAERN COC[C@H](C)OC(=O)[C@H](C)Cc1ccccc1 ZINC000113681048 583110986 /nfs/dbraw/zinc/11/09/86/583110986.db2.gz IXMGIHGMXRYCMJ-NEPJUHHUSA-N 0 0 236.311 2.443 10 0 BEAERN COC[C@@H](C)OC(=O)[C@H](C)Cc1ccccc1 ZINC000113681051 583111109 /nfs/dbraw/zinc/11/11/09/583111109.db2.gz IXMGIHGMXRYCMJ-VXGBXAGGSA-N 0 0 236.311 2.443 10 0 BEAERN CNC(=S)NCC[C@H]1CCC[C@@H](C)C1 ZINC000123838915 583571326 /nfs/dbraw/zinc/57/13/26/583571326.db2.gz HNMKMMOBROBAQK-NXEZZACHSA-N 0 0 214.378 2.297 10 0 BEAERN C[C@]1(COC(=O)c2ccccc2)CCOC1 ZINC000107500236 583731615 /nfs/dbraw/zinc/73/16/15/583731615.db2.gz SZNRJRUXDMDINL-ZDUSSCGKSA-N 0 0 220.268 2.270 10 0 BEAERN C[C@H](NC(=O)CC1=CCCCC1)c1cc(=O)[nH][nH]1 ZINC000898870575 584163235 /nfs/dbraw/zinc/16/32/35/584163235.db2.gz WMPXVASRONBODX-VIFPVBQESA-N 0 0 249.314 2.183 10 0 BEAERN COC[C@H](C)C(=O)OC[C@@H]1CC=CC[C@H]1C ZINC000103357771 585096577 /nfs/dbraw/zinc/09/65/77/585096577.db2.gz WIXVVXRHMRHHPU-WOPDTQHZSA-N 0 0 226.316 2.414 10 0 BEAERN CC(C)CCSCC(=O)OC[C@@H]1CCCO1 ZINC000103331025 585098147 /nfs/dbraw/zinc/09/81/47/585098147.db2.gz NJJMNJAPGSPFFU-NSHDSACASA-N 0 0 246.372 2.488 10 0 BEAERN Cc1nnc(SC[C@H](C)c2ccccc2)n1N ZINC000116610253 589020570 /nfs/dbraw/zinc/02/05/70/589020570.db2.gz PKAOVYHQFUYHMW-VIFPVBQESA-N 0 0 248.355 2.196 10 0 BEAERN CCc1cccc(OC(=O)[C@H](C)COC)c1 ZINC000103637034 586168881 /nfs/dbraw/zinc/16/88/81/586168881.db2.gz WOMRFGXQLICXQM-SNVBAGLBSA-N 0 0 222.284 2.437 10 0 BEAERN Cc1ccc(CC(=O)OCC(F)F)s1 ZINC000103651565 586266293 /nfs/dbraw/zinc/26/62/93/586266293.db2.gz IDZFWUGUHGMARS-UHFFFAOYSA-N 0 0 220.240 2.407 10 0 BEAERN COC[C@@H](C)C(=O)O[C@H](C)Cc1ccccc1 ZINC000103696123 586416854 /nfs/dbraw/zinc/41/68/54/586416854.db2.gz VIPCLKZWPDTFSV-VXGBXAGGSA-N 0 0 236.311 2.443 10 0 BEAERN COC(=O)c1sc([C@@H](O)CC(C)C)nc1C ZINC000757129699 586426316 /nfs/dbraw/zinc/42/63/16/586426316.db2.gz NXGXOAYJDIPWHB-QMMMGPOBSA-N 0 0 243.328 2.318 10 0 BEAERN CCc1nc([C@H](O)CC(C)C)sc1N ZINC000757126011 586426474 /nfs/dbraw/zinc/42/64/74/586426474.db2.gz GEXWEYIQDHJJHV-MRVPVSSYSA-N 0 0 214.334 2.367 10 0 BEAERN COCCONCc1ccc(Cl)c(C)c1 ZINC000757152399 586429326 /nfs/dbraw/zinc/42/93/26/586429326.db2.gz LMNLCKLODUTEBJ-UHFFFAOYSA-N 0 0 229.707 2.316 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2c(C)cccc2C)C1 ZINC000757185779 586434184 /nfs/dbraw/zinc/43/41/84/586434184.db2.gz CPCYQTKDYCMGTK-STQMWFEESA-N 0 0 247.338 2.423 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2c(C)cccc2C)C1 ZINC000757185769 586434209 /nfs/dbraw/zinc/43/42/09/586434209.db2.gz CPCYQTKDYCMGTK-OLZOCXBDSA-N 0 0 247.338 2.423 10 0 BEAERN COC(=O)/C=C1/C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000757190700 586435615 /nfs/dbraw/zinc/43/56/15/586435615.db2.gz BVIYJUYHSUABAO-QENILXLESA-N 0 0 245.322 2.238 10 0 BEAERN COC(=O)[C@H](CO)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000757190521 586435627 /nfs/dbraw/zinc/43/56/27/586435627.db2.gz ACKKQGFNNBELHH-HBNTYKKESA-N 0 0 228.332 2.230 10 0 BEAERN CC(C)(Br)COC(=O)C(F)(F)F ZINC000757214247 586440263 /nfs/dbraw/zinc/44/02/63/586440263.db2.gz WFXJKBBPLVIUML-UHFFFAOYSA-N 0 0 249.026 2.265 10 0 BEAERN CC(=O)c1ccc([C@H]2CCC[C@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757216673 586441423 /nfs/dbraw/zinc/44/14/23/586441423.db2.gz PUPMEVFJDQQVHI-CHWSQXEVSA-N 0 0 247.294 2.157 10 0 BEAERN O=C([O-])[C@@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217672 586441584 /nfs/dbraw/zinc/44/15/84/586441584.db2.gz RXJDQERRRBFUNA-ZYHUDNBSSA-N 0 0 244.294 2.293 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757218265 586441782 /nfs/dbraw/zinc/44/17/82/586441782.db2.gz UTCNDZROXCHYDC-RYUDHWBXSA-N 0 0 244.294 2.436 10 0 BEAERN C[C@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757232663 586443176 /nfs/dbraw/zinc/44/31/76/586443176.db2.gz JCXHPZKZEJMURQ-JOYOIKCWSA-N 0 0 219.284 2.445 10 0 BEAERN Cc1sc([C@@H]2C[NH2+]C[C@@H](C)C2)cc1C(=O)[O-] ZINC000757237549 586443977 /nfs/dbraw/zinc/44/39/77/586443977.db2.gz QFQGVUIRXKLJAI-CBAPKCEASA-N 0 0 239.340 2.468 10 0 BEAERN C[C@H]1CCC[NH2+][C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757239371 586444409 /nfs/dbraw/zinc/44/44/09/586444409.db2.gz UAEZKLIZUVUYJC-CABZTGNLSA-N 0 0 219.284 2.445 10 0 BEAERN CC(C)CCc1nc2[nH]ccc2c(N)n1 ZINC000757564831 586461181 /nfs/dbraw/zinc/46/11/81/586461181.db2.gz GDJCGFCQGCISIS-UHFFFAOYSA-N 0 0 204.277 2.080 10 0 BEAERN CC(C)Cc1nc2[nH]ccc2c(N(C)C)n1 ZINC000757564703 586461358 /nfs/dbraw/zinc/46/13/58/586461358.db2.gz FKQPUUGJMAUWBS-UHFFFAOYSA-N 0 0 218.304 2.222 10 0 BEAERN O=C(OCc1cccnc1Cl)c1cccnc1 ZINC000103810103 586818694 /nfs/dbraw/zinc/81/86/94/586818694.db2.gz MUDZUWHJUBVCIO-UHFFFAOYSA-N 0 0 248.669 2.487 10 0 BEAERN CC(C)(C)/C=C/C(=O)O[C@H]1C(=O)OCC1(C)C ZINC000117086942 589074468 /nfs/dbraw/zinc/07/44/68/589074468.db2.gz BBIKIOUSYZWHOH-FGEFZZPRSA-N 0 0 240.299 2.084 10 0 BEAERN Cc1cccc(OC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000121364831 587389429 /nfs/dbraw/zinc/38/94/29/587389429.db2.gz VKYMPGWAUVAXMO-ZYHUDNBSSA-N 0 0 220.268 2.468 10 0 BEAERN Cc1ccccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000121365792 587393192 /nfs/dbraw/zinc/39/31/92/587393192.db2.gz MXWLFIJVPBNSGQ-CMPLNLGQSA-N 0 0 220.268 2.468 10 0 BEAERN Cc1ccc(C)c(S(=O)(=O)C(F)F)c1 ZINC000000240377 587546140 /nfs/dbraw/zinc/54/61/40/587546140.db2.gz OXAFRBYZAGHGRQ-UHFFFAOYSA-N 0 0 220.240 2.300 10 0 BEAERN CC(=O)c1cccc(OC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000121410427 587806370 /nfs/dbraw/zinc/80/63/70/587806370.db2.gz WKTNUKBOAQNWPZ-NOZJJQNGSA-N 0 0 248.278 2.362 10 0 BEAERN CCc1cccc(OC(=O)c2cnn(C)c2)c1 ZINC000102744604 587859448 /nfs/dbraw/zinc/85/94/48/587859448.db2.gz UJBQDWKWHKBZOE-UHFFFAOYSA-N 0 0 230.267 2.202 10 0 BEAERN CCOCCC(=O)Oc1cccc(C)c1 ZINC000102847683 587884454 /nfs/dbraw/zinc/88/44/54/587884454.db2.gz OZVSLJNLGOYJPF-UHFFFAOYSA-N 0 0 208.257 2.327 10 0 BEAERN Cc1ncsc1C(=O)OCc1ccoc1 ZINC000121486502 587925280 /nfs/dbraw/zinc/92/52/80/587925280.db2.gz ZOSHVQWWBWQZIS-UHFFFAOYSA-N 0 0 223.253 2.402 10 0 BEAERN COc1ccc([C@@H]2CCCC(=O)N2)cc1OC ZINC000104833298 588043095 /nfs/dbraw/zinc/04/30/95/588043095.db2.gz ZOWKNXKUARPYCD-JTQLQIEISA-N 0 0 235.283 2.045 10 0 BEAERN CCCCCC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000105550157 588199911 /nfs/dbraw/zinc/19/99/11/588199911.db2.gz KMUPLCQRANOPEF-JTQLQIEISA-N 0 0 228.288 2.062 10 0 BEAERN CCOCCO[C@H](C)C(=O)OCC(C)(C)C ZINC000105770083 588221237 /nfs/dbraw/zinc/22/12/37/588221237.db2.gz CVRBBOMSWXGKTK-SNVBAGLBSA-N 0 0 232.320 2.017 10 0 BEAERN CC(C)NC(=O)CCCC(=O)OCC(C)(C)C ZINC000121560607 588221555 /nfs/dbraw/zinc/22/15/55/588221555.db2.gz XYCKHGDXGFIHSE-UHFFFAOYSA-N 0 0 243.347 2.271 10 0 BEAERN CCCc1nc(-c2ccccc2O)n[nH]1 ZINC000006274352 588350049 /nfs/dbraw/zinc/35/00/49/588350049.db2.gz SCLVJZJVSYFVGT-UHFFFAOYSA-N 0 0 203.245 2.130 10 0 BEAERN CCCOCCOC(=O)Cc1ccsc1 ZINC000107413723 588362643 /nfs/dbraw/zinc/36/26/43/588362643.db2.gz IOCNOYSYLOTCTD-UHFFFAOYSA-N 0 0 228.313 2.260 10 0 BEAERN CCCOCCOC(=O)c1occc1C ZINC000107414880 588363178 /nfs/dbraw/zinc/36/31/78/588363178.db2.gz VEXBKKNWTBWLEV-UHFFFAOYSA-N 0 0 212.245 2.171 10 0 BEAERN CO[C@H](C)C(=O)OC[C@@H]1CCc2ccccc21 ZINC000107882060 588414723 /nfs/dbraw/zinc/41/47/23/588414723.db2.gz JWYCNDKPQUGQKP-PWSUYJOCSA-N 0 0 234.295 2.295 10 0 BEAERN CO[C@H](C)C(=O)OC[C@H]1CCc2ccccc21 ZINC000107882066 588414825 /nfs/dbraw/zinc/41/48/25/588414825.db2.gz JWYCNDKPQUGQKP-ZYHUDNBSSA-N 0 0 234.295 2.295 10 0 BEAERN O=C(CC1CCCCC1)OCC(=O)C1CC1 ZINC000109366961 588556453 /nfs/dbraw/zinc/55/64/53/588556453.db2.gz XBQUQILUXMBXLX-UHFFFAOYSA-N 0 0 224.300 2.479 10 0 BEAERN O=C(COC(=O)C1(c2ccccc2)CC1)C1CC1 ZINC000109366954 588556508 /nfs/dbraw/zinc/55/65/08/588556508.db2.gz PRIUWTCTSXSEND-UHFFFAOYSA-N 0 0 244.290 2.241 10 0 BEAERN Cc1ccc(C(=O)OCC(=O)C2CC2)cc1C ZINC000109367398 588556583 /nfs/dbraw/zinc/55/65/83/588556583.db2.gz ZMAHSZABRLOHLN-UHFFFAOYSA-N 0 0 232.279 2.439 10 0 BEAERN CC(=O)c1ccc(C(=O)OCC(=O)C2CC2)cc1 ZINC000109370681 588557510 /nfs/dbraw/zinc/55/75/10/588557510.db2.gz JMJJWFFQOQUOPX-UHFFFAOYSA-N 0 0 246.262 2.025 10 0 BEAERN CCCCOCC(=O)OCc1ccoc1 ZINC000118599756 589180092 /nfs/dbraw/zinc/18/00/92/589180092.db2.gz CTJODCSDUGJYJC-UHFFFAOYSA-N 0 0 212.245 2.140 10 0 BEAERN O=C(CCc1ccccn1)OCc1ccoc1 ZINC000119398828 589276747 /nfs/dbraw/zinc/27/67/47/589276747.db2.gz ZKVJNGYUJSRIHA-UHFFFAOYSA-N 0 0 231.251 2.351 10 0 BEAERN CCCOC(=O)[C@H](C)N[C@H](C)C(C)(C)C ZINC000119944368 589349012 /nfs/dbraw/zinc/34/90/12/589349012.db2.gz ZPWAIQZUSOEQSI-VHSXEESVSA-N 0 0 215.337 2.352 10 0 BEAERN Cc1nnc(COc2ccc(F)nc2)n1C1CC1 ZINC000120108085 589377737 /nfs/dbraw/zinc/37/77/37/589377737.db2.gz YCNKHWWRJXZNBW-UHFFFAOYSA-N 0 0 248.261 2.035 10 0 BEAERN O=C(C[C@H]1CCCCO1)OCC(F)(F)F ZINC000120495256 589421838 /nfs/dbraw/zinc/42/18/38/589421838.db2.gz ZNJNIAHIZKKQCV-SSDOTTSWSA-N 0 0 226.194 2.051 10 0 BEAERN Cn1nccc1CCC(=O)Oc1cccc(F)c1 ZINC000120549661 589434539 /nfs/dbraw/zinc/43/45/39/589434539.db2.gz ODWRDVGTKYZLOV-UHFFFAOYSA-N 0 0 248.257 2.097 10 0 BEAERN CC(C)C(=O)Oc1cccc(-n2cccn2)c1 ZINC000121144751 589504315 /nfs/dbraw/zinc/50/43/15/589504315.db2.gz BAROIQDUURTGOD-UHFFFAOYSA-N 0 0 230.267 2.434 10 0 BEAERN CC(=O)N[C@H](C)C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000121871794 589536364 /nfs/dbraw/zinc/53/63/64/589536364.db2.gz CHMDZNZWTHWSFH-MNOVXSKESA-N 0 0 249.310 2.124 10 0 BEAERN c1cc(CNCc2cn3ccsc3n2)co1 ZINC000122223839 589566535 /nfs/dbraw/zinc/56/65/35/589566535.db2.gz OCVAJFUJRZGLSX-UHFFFAOYSA-N 0 0 233.296 2.279 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCc2ccccc2)O1 ZINC000122265566 589573695 /nfs/dbraw/zinc/57/36/95/589573695.db2.gz TVGDIQWPYSHGCJ-ZYHUDNBSSA-N 0 0 220.268 2.297 10 0 BEAERN CCOCCCNC(=S)N1CCCC1(C)C ZINC000122398951 589585300 /nfs/dbraw/zinc/58/53/00/589585300.db2.gz ZRGCPLKOWKHGFU-UHFFFAOYSA-N 0 0 244.404 2.162 10 0 BEAERN CCCCC[C@@H](C(=O)N1CC(CO)C1)C(C)C ZINC000122503372 589595446 /nfs/dbraw/zinc/59/54/46/589595446.db2.gz BMQBKOUGPILZIP-CYBMUJFWSA-N 0 0 241.375 2.290 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCC2CCCC2)O1 ZINC000122647213 589613876 /nfs/dbraw/zinc/61/38/76/589613876.db2.gz XNLHMCQFQFOYBB-KOLCDFICSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cccc(C(=O)OCc2nccn2C)c1 ZINC000122711750 589620617 /nfs/dbraw/zinc/62/06/17/589620617.db2.gz ZNXGUUSVTGRGSJ-UHFFFAOYSA-N 0 0 230.267 2.086 10 0 BEAERN Cc1ccc(C(=O)OCc2nccn2C)s1 ZINC000122708856 589620716 /nfs/dbraw/zinc/62/07/16/589620716.db2.gz HPARBJWSSGDTRT-UHFFFAOYSA-N 0 0 236.296 2.147 10 0 BEAERN Cc1cccc(C(=O)OCc2nccn2C)c1C ZINC000122709769 589620728 /nfs/dbraw/zinc/62/07/28/589620728.db2.gz SVMJXYBBCZFHOG-UHFFFAOYSA-N 0 0 244.294 2.394 10 0 BEAERN CC(=O)[C@H](C)CCCCC(=O)NOCC(C)C ZINC000123136531 589665880 /nfs/dbraw/zinc/66/58/80/589665880.db2.gz NRJTWORRGLERPT-LLVKDONJSA-N 0 0 243.347 2.476 10 0 BEAERN COCCC1(C(=O)OCC(C)(C)C)CC1 ZINC000123557206 589752395 /nfs/dbraw/zinc/75/23/95/589752395.db2.gz RFWPYSQBDIAROS-UHFFFAOYSA-N 0 0 214.305 2.392 10 0 BEAERN Cn1ccnc1COC(=O)C1CCCCC1 ZINC000123624837 589759223 /nfs/dbraw/zinc/75/92/23/589759223.db2.gz USXAUDWNHQVFNO-UHFFFAOYSA-N 0 0 222.288 2.044 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCCc2cccs2)O1 ZINC000123686160 589770680 /nfs/dbraw/zinc/77/06/80/589770680.db2.gz ZABJURMDXZGUFB-GXSJLCMTSA-N 0 0 240.324 2.401 10 0 BEAERN C[C@H](OC(=O)c1cncc(F)c1)C(F)(F)F ZINC000123787214 589814037 /nfs/dbraw/zinc/81/40/37/589814037.db2.gz TUBAHSUVZIVGCF-YFKPBYRVSA-N 0 0 237.152 2.328 10 0 BEAERN CSCCOC(=O)C[C@@H]1C=CCC1 ZINC000123957498 589871815 /nfs/dbraw/zinc/87/18/15/589871815.db2.gz GNMLDTQTUCEGSQ-SECBINFHSA-N 0 0 200.303 2.249 10 0 BEAERN COCCC1(C(=O)OCc2ccoc2C)CC1 ZINC000124124659 589948436 /nfs/dbraw/zinc/94/84/36/589948436.db2.gz VFSDQNLBKKECEU-UHFFFAOYSA-N 0 0 238.283 2.448 10 0 BEAERN Cc1ncsc1COC(=O)[C@H]1CC[C@H](C)O1 ZINC000124166969 589957623 /nfs/dbraw/zinc/95/76/23/589957623.db2.gz LODASPDFPBCUBY-IONNQARKSA-N 0 0 241.312 2.062 10 0 BEAERN CCC(=CC(=O)Nc1cnc(N(C)C)nc1)CC ZINC000124744134 590080760 /nfs/dbraw/zinc/08/07/60/590080760.db2.gz DWHITWMXVKISBE-UHFFFAOYSA-N 0 0 248.330 2.228 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Oc2ccccc2F)O1 ZINC000124772147 590084349 /nfs/dbraw/zinc/08/43/49/590084349.db2.gz HVYMRGOHWJYBOJ-LDYMZIIASA-N 0 0 224.231 2.299 10 0 BEAERN Cc1occc1COC(=O)[C@@H]1CC[C@H](C)O1 ZINC000124965297 590106432 /nfs/dbraw/zinc/10/64/32/590106432.db2.gz FOJQMGBHHVVUEH-KWQFWETISA-N 0 0 224.256 2.199 10 0 BEAERN Cc1occc1COC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000124965690 590106815 /nfs/dbraw/zinc/10/68/15/590106815.db2.gz FOJQMGBHHVVUEH-KCJUWKMLSA-N 0 0 224.256 2.199 10 0 BEAERN CC(C)c1ccn(-c2cncc(C=O)c2)n1 ZINC000125001036 590111140 /nfs/dbraw/zinc/11/11/40/590111140.db2.gz ZZVPCCOHRUHMRV-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN CC(=O)O[C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000125002265 590111707 /nfs/dbraw/zinc/11/17/07/590111707.db2.gz MFSMEKVLPBDQPQ-QWRGUYRKSA-N 0 0 214.305 2.389 10 0 BEAERN CC(=O)O[C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000125002490 590111890 /nfs/dbraw/zinc/11/18/90/590111890.db2.gz MFSMEKVLPBDQPQ-GHMZBOCLSA-N 0 0 214.305 2.389 10 0 BEAERN CC[C@@H](NC(=S)NC1CC1)c1nccs1 ZINC000125189617 590150101 /nfs/dbraw/zinc/15/01/01/590150101.db2.gz UYLLYJFMOYTSMC-MRVPVSSYSA-N 0 0 241.385 2.221 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC[C@@H](C)O1)C(F)(F)F ZINC000125473264 590165324 /nfs/dbraw/zinc/16/53/24/590165324.db2.gz FUASRCSMCNLASQ-DSYKOEDSSA-N 0 0 226.194 2.048 10 0 BEAERN O=C(Oc1ccccc1)c1cnn2c1CCCC2 ZINC000125585758 590171658 /nfs/dbraw/zinc/17/16/58/590171658.db2.gz RBKMQNFTIQOOBF-UHFFFAOYSA-N 0 0 242.278 2.439 10 0 BEAERN CC1(OC(=O)c2cnn3c2CCCC3)CCC1 ZINC000125826177 590191949 /nfs/dbraw/zinc/19/19/49/590191949.db2.gz HBKAVAZCJGHUBG-UHFFFAOYSA-N 0 0 234.299 2.319 10 0 BEAERN CCC(CC)OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000126461884 590313171 /nfs/dbraw/zinc/31/31/71/590313171.db2.gz ZVVSWZIHSMXBDG-SCZZXKLOSA-N 0 0 200.278 2.286 10 0 BEAERN CCC(=CC(=O)NCc1cccc(OC)n1)CC ZINC000126521570 590330901 /nfs/dbraw/zinc/33/09/01/590330901.db2.gz NIZNRDGXFFZETM-UHFFFAOYSA-N 0 0 248.326 2.453 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1ccc2nncn2c1 ZINC000126521574 590330906 /nfs/dbraw/zinc/33/09/06/590330906.db2.gz QJYIXMSRKDHLLQ-SNVBAGLBSA-N 0 0 247.298 2.465 10 0 BEAERN CC(C)Cc1noc([C@H](N)CC(C)C)n1 ZINC000022150642 590342891 /nfs/dbraw/zinc/34/28/91/590342891.db2.gz PTKHGUFPSFUHGS-SECBINFHSA-N 0 0 211.309 2.314 10 0 BEAERN CCCC[C@H](C)OC(=O)[C@@H](C)CC(=O)OC ZINC000126825877 590463251 /nfs/dbraw/zinc/46/32/51/590463251.db2.gz ILVNKYJUOXSDNL-UWVGGRQHSA-N 0 0 230.304 2.308 10 0 BEAERN CC(C)(C)CC(=O)NCC(=O)OC1(C)CCC1 ZINC000127084881 590560784 /nfs/dbraw/zinc/56/07/84/590560784.db2.gz GHMJWXVNJNQZAP-UHFFFAOYSA-N 0 0 241.331 2.025 10 0 BEAERN CC(C)OC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000127193921 590589118 /nfs/dbraw/zinc/58/91/18/590589118.db2.gz BNKZWTLQOGSYFY-GHMZBOCLSA-N 0 0 227.304 2.175 10 0 BEAERN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1cccnc1 ZINC000127202986 590593850 /nfs/dbraw/zinc/59/38/50/590593850.db2.gz XZJGSNJTDPBTNH-UTUOFQBUSA-N 0 0 247.294 2.052 10 0 BEAERN CCC1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000127379769 590634830 /nfs/dbraw/zinc/63/48/30/590634830.db2.gz LHGRSWGZBZBYAB-UHFFFAOYSA-N 0 0 247.342 2.362 10 0 BEAERN CC(C)[C@H](C)OC(=O)c1cncc(F)c1 ZINC000127844072 590815146 /nfs/dbraw/zinc/81/51/46/590815146.db2.gz UKDJULORZREITF-QMMMGPOBSA-N 0 0 211.236 2.422 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1C(=S)NC1CC1 ZINC000127943093 590849654 /nfs/dbraw/zinc/84/96/54/590849654.db2.gz UTORUUZRTFKVRH-DTWKUNHWSA-N 0 0 212.362 2.144 10 0 BEAERN Cc1ccn2ncc(C(=O)O[C@@H](C)C(C)C)c2n1 ZINC000128023791 590880017 /nfs/dbraw/zinc/88/00/17/590880017.db2.gz HIOIWBNJMHPCKX-JTQLQIEISA-N 0 0 247.298 2.239 10 0 BEAERN CCOCCO[C@@H](C)C(=O)O[C@H](C)C(C)C ZINC000128054524 590885273 /nfs/dbraw/zinc/88/52/73/590885273.db2.gz GKMBUIWBCFAIPO-MNOVXSKESA-N 0 0 232.320 2.016 10 0 BEAERN C[C@H]1CN(C(=O)N2CCCCC2)C[C@H](C)S1 ZINC000128312520 590977630 /nfs/dbraw/zinc/97/76/30/590977630.db2.gz FASZSQJXNYADRC-QWRGUYRKSA-N 0 0 242.388 2.418 10 0 BEAERN C=COCCOC(=O)c1cscc1C ZINC000128377690 591014174 /nfs/dbraw/zinc/01/41/74/591014174.db2.gz KHISZHYYBXTLIB-UHFFFAOYSA-N 0 0 212.270 2.373 10 0 BEAERN C=COCCOC(=O)c1ccc(F)cc1 ZINC000128402136 591031345 /nfs/dbraw/zinc/03/13/45/591031345.db2.gz KCTKRNVYIRCBII-UHFFFAOYSA-N 0 0 210.204 2.143 10 0 BEAERN CC1(OC(=O)[C@H]2CSCCS2)CCC1 ZINC000128505921 591098789 /nfs/dbraw/zinc/09/87/89/591098789.db2.gz FSJOHZRUKANVCL-MRVPVSSYSA-N 0 0 232.370 2.321 10 0 BEAERN O=C(/C=C\c1ccco1)N1CCC[C@@H]1CCCO ZINC000211222350 591149257 /nfs/dbraw/zinc/14/92/57/591149257.db2.gz OCINSCFFYDBOEH-QDZRJHCZSA-N 0 0 249.310 2.056 10 0 BEAERN C[C@H](O)c1ccn(Cc2cccc(Cl)n2)n1 ZINC000128685364 591150740 /nfs/dbraw/zinc/15/07/40/591150740.db2.gz NWTWBHSCDJQCKB-QMMMGPOBSA-N 0 0 237.690 2.033 10 0 BEAERN C/C=C\C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000211389692 591164918 /nfs/dbraw/zinc/16/49/18/591164918.db2.gz XRMUCQVCVHMUBX-WWQCOOJYSA-N 0 0 249.310 2.457 10 0 BEAERN Cc1nc(Cn2ccc([C@@H](C)O)n2)sc1C ZINC000128909035 591176820 /nfs/dbraw/zinc/17/68/20/591176820.db2.gz YVLOWWBMKVODMP-MRVPVSSYSA-N 0 0 237.328 2.058 10 0 BEAERN CCc1cc(C(=O)O[C@@H]2CCOC2)oc1CC ZINC000129184309 591267092 /nfs/dbraw/zinc/26/70/92/591267092.db2.gz ZAJSXXZWPMOUHI-SNVBAGLBSA-N 0 0 238.283 2.350 10 0 BEAERN CCCC(CCC)C(=O)N[C@H](C)C(OC)OC ZINC000211899644 591275304 /nfs/dbraw/zinc/27/53/04/591275304.db2.gz KREBVLMANVYXBZ-SNVBAGLBSA-N 0 0 245.363 2.326 10 0 BEAERN CC1(C)CN(C(=O)N2CCCCC2)CCS1 ZINC000129798155 591406090 /nfs/dbraw/zinc/40/60/90/591406090.db2.gz ORSVBASCPAIINQ-UHFFFAOYSA-N 0 0 242.388 2.420 10 0 BEAERN O=C(N[C@@H]1CCCc2occc21)n1ccnc1 ZINC000129804233 591410140 /nfs/dbraw/zinc/41/01/40/591410140.db2.gz FSLGKEQQQQVQKH-SNVBAGLBSA-N 0 0 231.255 2.111 10 0 BEAERN O=C(n1ccnc1)N1CCC[C@H]1c1ccc[nH]1 ZINC000129896315 591417942 /nfs/dbraw/zinc/41/79/42/591417942.db2.gz GIXJTWMNVFAHOV-NSHDSACASA-N 0 0 230.271 2.016 10 0 BEAERN COC(=O)c1csc([C@H](O)CC(C)C)n1 ZINC000214496614 591577738 /nfs/dbraw/zinc/57/77/38/591577738.db2.gz WJAUJIBKLSWMGU-MRVPVSSYSA-N 0 0 229.301 2.009 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CCCCO1)C(F)(F)F ZINC000131745706 591649993 /nfs/dbraw/zinc/64/99/93/591649993.db2.gz PZFZLVZJGZPPSP-RNFRBKRXSA-N 0 0 226.194 2.050 10 0 BEAERN COC[C@H](OC(=O)CC1CCC1)C1CC1 ZINC000132191112 591692097 /nfs/dbraw/zinc/69/20/97/591692097.db2.gz CUKPIENXHUTUHJ-NSHDSACASA-N 0 0 212.289 2.145 10 0 BEAERN COC[C@@H](OC(=O)[C@H]1CC=CCC1)C1CC1 ZINC000132286715 591698447 /nfs/dbraw/zinc/69/84/47/591698447.db2.gz RACRVWLSFFPVAJ-NWDGAFQWSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@H](OC(=O)CC(C)(C)C)C1CC1 ZINC000132298288 591699387 /nfs/dbraw/zinc/69/93/87/591699387.db2.gz AKUQXHWBEPUFHD-JTQLQIEISA-N 0 0 214.305 2.391 10 0 BEAERN CCc1csc(NCC[C@H](C)[S@](C)=O)n1 ZINC000133104765 591764902 /nfs/dbraw/zinc/76/49/02/591764902.db2.gz FRNVPWGKFLHZDT-VXJOIVPMSA-N 0 0 246.401 2.275 10 0 BEAERN CNc1ncc(C(=O)N2CCCC2(C)C)s1 ZINC000133608347 591842571 /nfs/dbraw/zinc/84/25/71/591842571.db2.gz FOAYLJOOVBOEGM-UHFFFAOYSA-N 0 0 239.344 2.199 10 0 BEAERN Cc1ccccc1Cn1ccc([C@@H](C)O)n1 ZINC000133757260 591852470 /nfs/dbraw/zinc/85/24/70/591852470.db2.gz QKIDJLIJAWQHQF-LLVKDONJSA-N 0 0 216.284 2.293 10 0 BEAERN Cc1nnc(CNCc2ccsc2)s1 ZINC000134665074 591946263 /nfs/dbraw/zinc/94/62/63/591946263.db2.gz KUYWEQKHCMSHQW-UHFFFAOYSA-N 0 0 225.342 2.198 10 0 BEAERN Cc1nnc(CNCc2ccccc2F)s1 ZINC000134663681 591946271 /nfs/dbraw/zinc/94/62/71/591946271.db2.gz HSFYUENMUFGIQW-UHFFFAOYSA-N 0 0 237.303 2.275 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cc(F)cc(F)c1 ZINC000134668853 591946388 /nfs/dbraw/zinc/94/63/88/591946388.db2.gz XSRSZVLBOOYDSF-UHFFFAOYSA-N 0 0 237.209 2.249 10 0 BEAERN Cc1c[nH]nc1NC(=O)Cc1cccc(C)c1 ZINC000134683426 591946886 /nfs/dbraw/zinc/94/68/86/591946886.db2.gz PVEQMACYGQTUIU-UHFFFAOYSA-N 0 0 229.283 2.208 10 0 BEAERN CCC[C@](C)(NCc1ccoc1)C(=O)OC ZINC000135038058 591975666 /nfs/dbraw/zinc/97/56/66/591975666.db2.gz OYXHVFLTOSFMOS-LBPRGKRZSA-N 0 0 225.288 2.101 10 0 BEAERN C[C@H](O)c1cccc(OCC2(C)COC2)c1 ZINC000215961126 592001182 /nfs/dbraw/zinc/00/11/82/592001182.db2.gz QTTFCHKMCHZZTP-JTQLQIEISA-N 0 0 222.284 2.155 10 0 BEAERN CCC(CC)OC(=O)CCn1cccn1 ZINC000135341169 592008389 /nfs/dbraw/zinc/00/83/89/592008389.db2.gz RPMAZMAYGJJCLY-UHFFFAOYSA-N 0 0 210.277 2.005 10 0 BEAERN O=C1C=C(c2ccc(Br)cc2)CO1 ZINC000135767698 592054799 /nfs/dbraw/zinc/05/47/99/592054799.db2.gz DAZLGCXNLLQYOS-UHFFFAOYSA-N 0 0 239.068 2.389 10 0 BEAERN CCOC(=O)C(C)(C)C(=O)OCC(C)(C)C ZINC000136289474 592104965 /nfs/dbraw/zinc/10/49/65/592104965.db2.gz YXUCGPFCFPXRAL-UHFFFAOYSA-N 0 0 230.304 2.165 10 0 BEAERN O=C(Nc1ccc(F)nc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300346404 592506807 /nfs/dbraw/zinc/50/68/07/592506807.db2.gz ZIGYXRRDHGRPIF-AYMMMOKOSA-N 0 0 220.247 2.205 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000300622005 592516509 /nfs/dbraw/zinc/51/65/09/592516509.db2.gz YRFCLSYSMYUHHP-RHYQMDGZSA-N 0 0 225.332 2.106 10 0 BEAERN Cc1c(N)n(C)nc1[C@H]1CCC(F)(F)C1 ZINC000300912155 592524431 /nfs/dbraw/zinc/52/44/31/592524431.db2.gz DFFPSPNFLQMLFE-ZETCQYMHSA-N 0 0 215.247 2.214 10 0 BEAERN CC[C@@H]1CN(C(=O)N2CCCCC2)CCCO1 ZINC000302331542 592546812 /nfs/dbraw/zinc/54/68/12/592546812.db2.gz IWSJEYGRWWNTOM-GFCCVEGCSA-N 0 0 240.347 2.093 10 0 BEAERN O=Cc1cnc(N2CCC3(CCCC3)CC2)nc1 ZINC000126322222 592724174 /nfs/dbraw/zinc/72/41/74/592724174.db2.gz SYHASKDEDLTOHD-UHFFFAOYSA-N 0 0 245.326 2.450 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@H]1C[C@H]1C1CC1 ZINC000248942540 635118100 /nfs/dbraw/zinc/11/81/00/635118100.db2.gz CWDYONXOFIYDDV-VWYCJHECSA-N 0 0 207.273 2.268 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]C2CC2)cc1Cl ZINC000258071294 634561565 /nfs/dbraw/zinc/56/15/65/634561565.db2.gz HMDHPTCRAKPRNR-UHFFFAOYSA-N 0 0 225.675 2.290 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)N2CCCCC2)o1 ZINC000226554894 635433194 /nfs/dbraw/zinc/43/31/94/635433194.db2.gz IRVRRYKRDMNAHB-SNVBAGLBSA-N 0 0 237.303 2.240 10 0 BEAERN CC[C@@H](NC(=S)NC1CC1)C(C)C ZINC000063909569 635473030 /nfs/dbraw/zinc/47/30/30/635473030.db2.gz DFZDHTUZEOSREB-SECBINFHSA-N 0 0 200.351 2.048 10 0 BEAERN CC(C)(C)[NH2+]Cc1ccc(C(=O)[O-])s1 ZINC000006806446 635502513 /nfs/dbraw/zinc/50/25/13/635502513.db2.gz APCOUGPHDBLFSO-UHFFFAOYSA-N 0 0 213.302 2.334 10 0 BEAERN C[C@@H](Cc1ccco1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251020210 635509493 /nfs/dbraw/zinc/50/94/93/635509493.db2.gz YLHOCFHZYGJQNB-YFKTTZPYSA-N 0 0 233.311 2.373 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)NC1CCCCC1 ZINC000233937705 635545108 /nfs/dbraw/zinc/54/51/08/635545108.db2.gz RFUKUZQJFNRZBQ-RYUDHWBXSA-N 0 0 225.332 2.250 10 0 BEAERN CCCC1(c2nc(C(=O)OCC)no2)CC1 ZINC000380651530 631299156 /nfs/dbraw/zinc/29/91/56/631299156.db2.gz QLFARORIAUUCLZ-UHFFFAOYSA-N 0 0 224.260 2.078 10 0 BEAERN CCOCCCCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000176150986 631545285 /nfs/dbraw/zinc/54/52/85/631545285.db2.gz SPPYWLYRSUSLMC-RYUDHWBXSA-N 0 0 226.316 2.392 10 0 BEAERN C[C@@H](Nc1ccnc2ccsc21)[C@H](C)O ZINC000309037153 631808151 /nfs/dbraw/zinc/80/81/51/631808151.db2.gz IVPSTGKGPNMPKZ-SFYZADRCSA-N 0 0 222.313 2.478 10 0 BEAERN Cc1cccc2c1N[C@H]([C@H]1CCCOC1)[C@@H](O)C2 ZINC000725268646 631864392 /nfs/dbraw/zinc/86/43/92/631864392.db2.gz XMHVJPSGUIMKNF-KCQAQPDRSA-N 0 0 247.338 2.119 10 0 BEAERN O=C(c1cncc2cccnc21)N1CCCCC1 ZINC000222621487 635731456 /nfs/dbraw/zinc/73/14/56/635731456.db2.gz VBLLSJGUVQNHBT-UHFFFAOYSA-N 0 0 241.294 2.256 10 0 BEAERN OCC[C@@H]1CCN(Cc2cnc(Cl)s2)C1 ZINC000162089738 632513024 /nfs/dbraw/zinc/51/30/24/632513024.db2.gz SSIQAVUQMCVASZ-QMMMGPOBSA-N 0 0 246.763 2.001 10 0 BEAERN COCCc1ccnc(N[C@H]2CC[C@@H]2C)c1 ZINC000309624385 632586114 /nfs/dbraw/zinc/58/61/14/632586114.db2.gz GAIVQRHYIWLNLZ-JQWIXIFHSA-N 0 0 220.316 2.481 10 0 BEAERN COC(=O)[C@H](C)c1ccc2c(c1)CCC2 ZINC000146014808 632659307 /nfs/dbraw/zinc/65/93/07/632659307.db2.gz ZCKJJTYJKDQPJX-SECBINFHSA-N 0 0 204.269 2.452 10 0 BEAERN Nc1ccc(-c2nc(CC3CCC3)no2)cn1 ZINC000310118043 632702458 /nfs/dbraw/zinc/70/24/58/632702458.db2.gz ALVAZEQVOPJEBI-UHFFFAOYSA-N 0 0 230.271 2.056 10 0 BEAERN Cc1nc(Cl)ccc1NCC1(C)COC1 ZINC000235805160 632829556 /nfs/dbraw/zinc/82/95/56/632829556.db2.gz DGHWOAGMCSFHSK-UHFFFAOYSA-N 0 0 226.707 2.492 10 0 BEAERN Cc1nc(C)c(-c2[nH]nc(N)c2C)s1 ZINC000235952378 632855327 /nfs/dbraw/zinc/85/53/27/632855327.db2.gz SQZXFGMNVWSLSM-UHFFFAOYSA-N 0 0 208.290 2.041 10 0 BEAERN Cc1nc(C)n(-c2c(Cl)cccc2C=O)n1 ZINC000235956670 632857326 /nfs/dbraw/zinc/85/73/26/632857326.db2.gz AGTWSZIMCSDYLH-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN Cc1nc(Cl)cc(NCC[C@@H]2CCCO2)n1 ZINC000052837204 632904912 /nfs/dbraw/zinc/90/49/12/632904912.db2.gz YRRKGJWUMVDKQQ-VIFPVBQESA-N 0 0 241.722 2.419 10 0 BEAERN C/C(=C/C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000048666643 635884422 /nfs/dbraw/zinc/88/44/22/635884422.db2.gz BFQYAGNKIUWINQ-HCYCVZQXSA-N 0 0 245.322 2.385 10 0 BEAERN c1csc(NCc2cn3c(n2)CCCC3)n1 ZINC000309717095 633230629 /nfs/dbraw/zinc/23/06/29/633230629.db2.gz ZEBRJIJIFRWJNC-UHFFFAOYSA-N 0 0 234.328 2.288 10 0 BEAERN CCCCCCOC(=O)CCn1cccn1 ZINC000120849541 635948787 /nfs/dbraw/zinc/94/87/87/635948787.db2.gz CLYUKBGWACORLT-UHFFFAOYSA-N 0 0 224.304 2.397 10 0 BEAERN C[C@@H]1CN(C/C(Cl)=C/Cl)C[C@@H](C)O1 ZINC000306687848 635972952 /nfs/dbraw/zinc/97/29/52/635972952.db2.gz IIGJLTOWQBHZLY-FUIYBJOISA-N 0 0 224.131 2.415 10 0 BEAERN CN(Cc1ccc(O)cc1)C(=O)N1CCCCC1 ZINC000092253042 633803111 /nfs/dbraw/zinc/80/31/11/633803111.db2.gz MQJJCVYEGGWKOR-UHFFFAOYSA-N 0 0 248.326 2.430 10 0 BEAERN CO[C@H](C(=O)OCC(F)(F)F)c1ccccc1 ZINC000119286609 633809381 /nfs/dbraw/zinc/80/93/81/633809381.db2.gz BDFZJDMVPZZDOV-VIFPVBQESA-N 0 0 248.200 2.480 10 0 BEAERN Cc1nc(Cl)cc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000309859933 633867631 /nfs/dbraw/zinc/86/76/31/633867631.db2.gz MASVRRANDWDQJC-BDAKNGLRSA-N 0 0 241.722 2.154 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1nc2c(cccc2F)o1 ZINC000309897298 633912049 /nfs/dbraw/zinc/91/20/49/633912049.db2.gz GJHSSPYCCNAVMU-NKWVEPMBSA-N 0 0 224.235 2.148 10 0 BEAERN CC[C@@H](NC(=O)c1cnc(NC)s1)C(C)C ZINC000309684109 633989060 /nfs/dbraw/zinc/98/90/60/633989060.db2.gz GXVBHUHLCWBKEJ-MRVPVSSYSA-N 0 0 241.360 2.349 10 0 BEAERN CCOC[C@H](C)OC(=O)Cc1ccc(F)cc1 ZINC000190762062 634194550 /nfs/dbraw/zinc/19/45/50/634194550.db2.gz SXVWEFGMYPJDCU-JTQLQIEISA-N 0 0 240.274 2.336 10 0 BEAERN CCCCCCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000191688455 634221024 /nfs/dbraw/zinc/22/10/24/634221024.db2.gz USVDIIIDENUFBG-NEPJUHHUSA-N 0 0 227.348 2.498 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCC(C)(C)C ZINC000192226180 634226481 /nfs/dbraw/zinc/22/64/81/634226481.db2.gz DIXKDELRGFURPC-UWVGGRQHSA-N 0 0 214.305 2.391 10 0 BEAERN CCCOCC(=O)OC[C@H]1CC=CCC1 ZINC000123849717 634263593 /nfs/dbraw/zinc/26/35/93/634263593.db2.gz QEUSJUCUEUWYRZ-NSHDSACASA-N 0 0 212.289 2.313 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000336778833 635289307 /nfs/dbraw/zinc/28/93/07/635289307.db2.gz MMKZSOFGAOCLMV-RNFRBKRXSA-N 0 0 234.221 2.282 10 0 BEAERN C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@@H](C)O1 ZINC000149902511 636174966 /nfs/dbraw/zinc/17/49/66/636174966.db2.gz CDFWDDYCFKUFAC-AFPRHGJPSA-N 0 0 225.332 2.225 10 0 BEAERN CCOCCCNC(=O)CSC(C)(C)C ZINC000127541668 636622335 /nfs/dbraw/zinc/62/23/35/636622335.db2.gz LLZTXDLDBFGXCC-UHFFFAOYSA-N 0 0 233.377 2.061 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccnc(C(=O)NC)c1 ZINC000233442715 636622979 /nfs/dbraw/zinc/62/29/79/636622979.db2.gz HEEIDGUNOBBIRQ-ONGXEEELSA-N 0 0 233.315 2.042 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)[C@H](C)O)c1Cl ZINC000346363052 637090717 /nfs/dbraw/zinc/09/07/17/637090717.db2.gz CKABRVWSZUIFLO-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN CCc1ccc(CCC(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000346397316 637107547 /nfs/dbraw/zinc/10/75/47/637107547.db2.gz XRGUWINJSYINDX-VXGBXAGGSA-N 0 0 249.354 2.067 10 0 BEAERN Cc1csc(C(=O)N[C@@H](C)[C@H](C)O)c1Cl ZINC000346420964 637114277 /nfs/dbraw/zinc/11/42/77/637114277.db2.gz APEIBNJZUIMNCG-BQBZGAKWSA-N 0 0 247.747 2.209 10 0 BEAERN Cc1c2ccccc2oc1C(=O)N[C@@H](C)[C@@H](C)O ZINC000346431198 637125598 /nfs/dbraw/zinc/12/55/98/637125598.db2.gz SLFOISDOYXYVCB-VHSXEESVSA-N 0 0 247.294 2.240 10 0 BEAERN C[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)O ZINC000346434296 637140099 /nfs/dbraw/zinc/14/00/99/637140099.db2.gz UWQUCQXYACHZIP-ZJUUUORDSA-N 0 0 239.359 2.088 10 0 BEAERN Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@H](C)O ZINC000346440837 637140859 /nfs/dbraw/zinc/14/08/59/637140859.db2.gz ZHCJILWDFARZEG-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000346453673 637141620 /nfs/dbraw/zinc/14/16/20/637141620.db2.gz FRWSZDMDMUMEKG-WDEREUQCSA-N 0 0 243.306 2.339 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1cccc2ccsc21 ZINC000346453312 637141804 /nfs/dbraw/zinc/14/18/04/637141804.db2.gz KJWFTKNLYYXILY-DTWKUNHWSA-N 0 0 249.335 2.400 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1cccc2ccccc21 ZINC000346508046 637158683 /nfs/dbraw/zinc/15/86/83/637158683.db2.gz NSTZNIKJBJOPPG-WDEREUQCSA-N 0 0 243.306 2.339 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCO)C1 ZINC000149647336 639037483 /nfs/dbraw/zinc/03/74/83/639037483.db2.gz MCKPDOKMSMTHGK-ZJUUUORDSA-N 0 0 229.320 2.062 10 0 BEAERN C[S@@](=O)c1cccc(C(F)(F)F)c1 ZINC000034612250 711478262 /nfs/dbraw/zinc/47/82/62/711478262.db2.gz VTMVEEFHTATMTH-ZDUSSCGKSA-N 0 0 208.204 2.443 10 0 BEAERN CCCc1nc(-c2sccc2N)n(C)n1 ZINC000054697476 640303867 /nfs/dbraw/zinc/30/38/67/640303867.db2.gz FPGYHLSJEBORAN-UHFFFAOYSA-N 0 0 222.317 2.078 10 0 BEAERN CCCSCC(=O)O[C@@H](C)C1CCOCC1 ZINC000151476785 640394141 /nfs/dbraw/zinc/39/41/41/640394141.db2.gz YDOHVGVYHCASLF-JTQLQIEISA-N 0 0 246.372 2.488 10 0 BEAERN CONC(=O)NCc1ccc(Cl)cc1Cl ZINC000045037661 640498299 /nfs/dbraw/zinc/49/82/99/640498299.db2.gz PVJFHXAPKQMJNF-UHFFFAOYSA-N 0 0 249.097 2.354 10 0 BEAERN Cc1cnn(-c2cc(C=O)ccc2C)c1 ZINC000164878975 640511957 /nfs/dbraw/zinc/51/19/57/640511957.db2.gz FKTZQGOTGBJREN-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN CCCNC(=S)N(C)Cc1ccc(C)o1 ZINC000057435262 640609941 /nfs/dbraw/zinc/60/99/41/640609941.db2.gz MQNQIAZLVBEUGZ-UHFFFAOYSA-N 0 0 226.345 2.304 10 0 BEAERN COC(=O)c1ccccc1OC(=O)c1ccoc1 ZINC000057785409 640636713 /nfs/dbraw/zinc/63/67/13/640636713.db2.gz LHHWNSLNTVJFPJ-UHFFFAOYSA-N 0 0 246.218 2.285 10 0 BEAERN COC(=O)/C=C/c1csc(Br)n1 ZINC000167890534 640759479 /nfs/dbraw/zinc/75/94/79/640759479.db2.gz WMCRFSMHPXFQLP-NSCUHMNNSA-N 0 0 248.101 2.092 10 0 BEAERN CS[C@H](C)CC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000157875790 640767420 /nfs/dbraw/zinc/76/74/20/640767420.db2.gz QVDBFWKWTNLIMO-OPRDCNLKSA-N 0 0 232.345 2.096 10 0 BEAERN CS[C@H](C)CC(=O)O[C@@H](C)C1CCOCC1 ZINC000157937941 640781091 /nfs/dbraw/zinc/78/10/91/640781091.db2.gz CNEFXUGSYUOFEJ-ZJUUUORDSA-N 0 0 246.372 2.486 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]1CO ZINC000226626301 640784746 /nfs/dbraw/zinc/78/47/46/640784746.db2.gz QKUOMHFAPOHGCA-UPJWGTAASA-N 0 0 239.359 2.186 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc(F)cc1N ZINC000059927820 640840107 /nfs/dbraw/zinc/84/01/07/640840107.db2.gz KJFXKAZNAKWNCT-QMMMGPOBSA-N 0 0 224.279 2.182 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cnc(Cl)cn1 ZINC000227833760 640850522 /nfs/dbraw/zinc/85/05/22/640850522.db2.gz BPGJMMAGTHPWJH-JGVFFNPUSA-N 0 0 239.706 2.048 10 0 BEAERN CC[C@](C)(CCO)Nc1nccs1 ZINC000228617366 640887319 /nfs/dbraw/zinc/88/73/19/640887319.db2.gz JUBHELWDTQYRSD-SECBINFHSA-N 0 0 200.307 2.106 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccccc1C ZINC000170906196 640935926 /nfs/dbraw/zinc/93/59/26/640935926.db2.gz NRXBRGOLJJCWJJ-NSHDSACASA-N 0 0 222.284 2.321 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccc(C)cc1 ZINC000170906279 640936056 /nfs/dbraw/zinc/93/60/56/640936056.db2.gz WTFREQYQPJXJFN-LLVKDONJSA-N 0 0 222.284 2.321 10 0 BEAERN COC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000171054277 640952793 /nfs/dbraw/zinc/95/27/93/640952793.db2.gz ULHAKIRMQBHLPE-GZMMTYOYSA-N 0 0 248.282 2.003 10 0 BEAERN CC[C@@](C)(O)CN1CC[C@@H](O)c2ccccc21 ZINC000229450958 640956928 /nfs/dbraw/zinc/95/69/28/640956928.db2.gz QPUDYXLZPGJOSX-ZIAGYGMSSA-N 0 0 235.327 2.091 10 0 BEAERN CCC/C=C\c1nccc(N2CCC[C@@H](O)C2)n1 ZINC000229510115 640962222 /nfs/dbraw/zinc/96/22/22/640962222.db2.gz LXKCAWXWWYDOJC-DJFZKKHWSA-N 0 0 247.342 2.251 10 0 BEAERN COC[C@@H](C)C(=O)OCCOC1CCCCC1 ZINC000171487670 640980609 /nfs/dbraw/zinc/98/06/09/640980609.db2.gz VRMWIXFMSQKMIK-LLVKDONJSA-N 0 0 244.331 2.161 10 0 BEAERN CC(C)c1c(N)n(C)nc1-c1ccco1 ZINC000229829745 640986348 /nfs/dbraw/zinc/98/63/48/640986348.db2.gz WNRXGRPJUCMEJC-UHFFFAOYSA-N 0 0 205.261 2.386 10 0 BEAERN CCc1csc(N2CCC[C@@H]2CCCO)n1 ZINC000061894994 641005870 /nfs/dbraw/zinc/00/58/70/641005870.db2.gz JKQSPPBRABYHKG-LLVKDONJSA-N 0 0 240.372 2.447 10 0 BEAERN COCc1cccc(OC(=O)[C@@H](C)COC)c1 ZINC000171878305 641018015 /nfs/dbraw/zinc/01/80/15/641018015.db2.gz VUDAIMISIKCGGT-JTQLQIEISA-N 0 0 238.283 2.021 10 0 BEAERN C[C@@H](O)C1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000230173355 641032230 /nfs/dbraw/zinc/03/22/30/641032230.db2.gz SJVHXBUUZSBXMH-LOWVWBTDSA-N 0 0 239.359 2.042 10 0 BEAERN CO[C@@]1(C)CCCN(C(=O)N2CCCCC2)C1 ZINC000230257854 641044549 /nfs/dbraw/zinc/04/45/49/641044549.db2.gz SJLMABAWUJKHAJ-ZDUSSCGKSA-N 0 0 240.347 2.093 10 0 BEAERN CCCOC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000062380782 641045483 /nfs/dbraw/zinc/04/54/83/641045483.db2.gz IYZZUTNCFYJBBM-LBPRGKRZSA-N 0 0 243.347 2.127 10 0 BEAERN COC1CC(Nc2nc(C(C)C)ns2)C1 ZINC000230600405 641071464 /nfs/dbraw/zinc/07/14/64/641071464.db2.gz BSGLPJKEQPAXRN-UHFFFAOYSA-N 0 0 227.333 2.251 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@H](O)c2ccccc2)o1 ZINC000230642638 641075469 /nfs/dbraw/zinc/07/54/69/641075469.db2.gz NOIJKMFYYKJXSD-YPMHNXCESA-N 0 0 246.310 2.367 10 0 BEAERN CC[C@]1(C(=O)[O-])CCC[N@H+](C/C=C/Cl)C1 ZINC000062877631 641106238 /nfs/dbraw/zinc/10/62/38/641106238.db2.gz YGQNGZIWDGFOSG-MALLOTDXSA-N 0 0 231.723 2.316 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=S)NC(C)C ZINC000231648012 641192504 /nfs/dbraw/zinc/19/25/04/641192504.db2.gz IYFMNTJKFJOLIN-DTWKUNHWSA-N 0 0 200.351 2.048 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1-c1cncs1 ZINC000232648835 641315980 /nfs/dbraw/zinc/31/59/80/641315980.db2.gz WAWAYSRFVGSNIP-UHFFFAOYSA-N 0 0 222.317 2.314 10 0 BEAERN C/C=C(/C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000089982159 641370948 /nfs/dbraw/zinc/37/09/48/641370948.db2.gz LAAURVAJNMEVBT-FWAPLPHYSA-N 0 0 212.289 2.311 10 0 BEAERN CO[C@@H](C)c1noc(-c2ccncc2Cl)n1 ZINC000084667816 641362983 /nfs/dbraw/zinc/36/29/83/641362983.db2.gz KZKIMZZHZJXPIS-LURJTMIESA-N 0 0 239.662 2.492 10 0 BEAERN C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)C1CCOCC1 ZINC000151539904 641368624 /nfs/dbraw/zinc/36/86/24/641368624.db2.gz UOQILMHYYVTZAM-ZWKOPEQDSA-N 0 0 238.327 2.391 10 0 BEAERN CSC[C@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000156067830 641592850 /nfs/dbraw/zinc/59/28/50/641592850.db2.gz FZCSUUDAKUFPNT-UWVGGRQHSA-N 0 0 246.372 2.344 10 0 BEAERN CC(C)[C@H](C)NC(=O)COC1CCCCC1 ZINC000044284133 641592858 /nfs/dbraw/zinc/59/28/58/641592858.db2.gz GXOKMRCDVSKLRW-NSHDSACASA-N 0 0 227.348 2.496 10 0 BEAERN C[C@H](CCc1ccccc1)NC(=O)n1ccnc1 ZINC000044482926 641602836 /nfs/dbraw/zinc/60/28/36/641602836.db2.gz KHWVZEDMTQSWSJ-GFCCVEGCSA-N 0 0 243.310 2.462 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)n2ccnc2)o1 ZINC000049223520 641712181 /nfs/dbraw/zinc/71/21/81/641712181.db2.gz UENPXXYIADFHCG-SECBINFHSA-N 0 0 219.244 2.103 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)OC1CCCC1 ZINC000324611284 641882594 /nfs/dbraw/zinc/88/25/94/641882594.db2.gz MMYCSCWZMIAAJA-JTQLQIEISA-N 0 0 229.320 2.062 10 0 BEAERN CCCCO[C@H](C)C(=O)O[C@@H](C)COCC ZINC000190772775 641884856 /nfs/dbraw/zinc/88/48/56/641884856.db2.gz PBTHHILYRNFMJI-WDEREUQCSA-N 0 0 232.320 2.160 10 0 BEAERN CCOC[C@H](C)OC(=O)CCc1cscn1 ZINC000190758862 641885978 /nfs/dbraw/zinc/88/59/78/641885978.db2.gz XZQQJIFYNDROPX-VIFPVBQESA-N 0 0 243.328 2.044 10 0 BEAERN C/C=C(\CC)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000191180588 641905696 /nfs/dbraw/zinc/90/56/96/641905696.db2.gz KTACIAOQYXDKAK-SYNHDHHQSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)n1ccnc1 ZINC000032779611 641919385 /nfs/dbraw/zinc/91/93/85/641919385.db2.gz VQVNYJVHOKCLGP-MNOVXSKESA-N 0 0 221.304 2.362 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)O[C@H]2COc3ccccc32)O1 ZINC000246057641 641947115 /nfs/dbraw/zinc/94/71/15/641947115.db2.gz AJVOJBRCHWHSNA-WQAKAFBOSA-N 0 0 248.278 2.231 10 0 BEAERN COC[C@@H](C)C(=O)O[C@@H](C)CC(C)C ZINC000154137938 641967292 /nfs/dbraw/zinc/96/72/92/641967292.db2.gz GNQKADGNZUMTAE-ZJUUUORDSA-N 0 0 202.294 2.247 10 0 BEAERN O[C@H]1CCN(CC2CC2)c2ccccc21 ZINC000124908775 641968159 /nfs/dbraw/zinc/96/81/59/641968159.db2.gz PESNFPHBCCTCAA-ZDUSSCGKSA-N 0 0 203.285 2.340 10 0 BEAERN CCCCCCC(=O)OCc1nnc(C)n1C ZINC000130523081 642068837 /nfs/dbraw/zinc/06/88/37/642068837.db2.gz YWDWSADWEOCLQN-UHFFFAOYSA-N 0 0 239.319 2.137 10 0 BEAERN CCC(C)(C)COC(=O)[C@H](C)COC ZINC000174870934 642265888 /nfs/dbraw/zinc/26/58/88/642265888.db2.gz HCWOAIARNCUBBS-SECBINFHSA-N 0 0 202.294 2.248 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)N[C@H](C)[C@@H](C)O ZINC000307991675 642364964 /nfs/dbraw/zinc/36/49/64/642364964.db2.gz JDNZRHAMGFMYSP-IJLUTSLNSA-N 0 0 229.364 2.334 10 0 BEAERN CC1CC(C(=O)OC/C=C\Br)C1 ZINC000308086577 642424078 /nfs/dbraw/zinc/42/40/78/642424078.db2.gz OUZNBOAZIAPZEG-IHWYPQMZSA-N 0 0 233.105 2.484 10 0 BEAERN COC(=O)[C@](C)(O)c1ccccc1C(F)(F)F ZINC000050974116 642440009 /nfs/dbraw/zinc/44/00/09/642440009.db2.gz FAIAACPPOVDJOG-SNVBAGLBSA-N 0 0 248.200 2.086 10 0 BEAERN CSCCCC(=O)OC[C@H]1C[C@H]1C ZINC000308166778 642477751 /nfs/dbraw/zinc/47/77/51/642477751.db2.gz AAABCNJYSZOXPL-RKDXNWHRSA-N 0 0 202.319 2.329 10 0 BEAERN CCCC1(CNC(=O)n2ccnc2)CC1 ZINC000232948239 642636264 /nfs/dbraw/zinc/63/62/64/642636264.db2.gz XCBAFPFLQAXMCM-UHFFFAOYSA-N 0 0 207.277 2.021 10 0 BEAERN CCC1(CNC(=O)n2ccnc2)CCC1 ZINC000232984572 642641288 /nfs/dbraw/zinc/64/12/88/642641288.db2.gz QEJIBOAXKCTTSH-UHFFFAOYSA-N 0 0 207.277 2.021 10 0 BEAERN C/C(=C\C(=O)O[C@H](C)[C@@H]1CCOC1)C1CC1 ZINC000175219971 642662550 /nfs/dbraw/zinc/66/25/50/642662550.db2.gz RJLXJPWLSMCNFJ-URGSKGIXSA-N 0 0 224.300 2.311 10 0 BEAERN CC(C)CCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175244163 642664732 /nfs/dbraw/zinc/66/47/32/642664732.db2.gz FVQQEUIXMDBFFW-GHMZBOCLSA-N 0 0 214.305 2.391 10 0 BEAERN CCC(CC)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175277805 642667024 /nfs/dbraw/zinc/66/70/24/642667024.db2.gz LBAPZDZNKGXMHL-ONGXEEELSA-N 0 0 214.305 2.391 10 0 BEAERN C[C@@H](OC(=O)CC1CCC1)[C@@H]1CCOC1 ZINC000175273978 642667518 /nfs/dbraw/zinc/66/75/18/642667518.db2.gz FXPCBAWITFOPKG-MWLCHTKSSA-N 0 0 212.289 2.145 10 0 BEAERN C[C@@H](OC(=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000175277413 642667556 /nfs/dbraw/zinc/66/75/56/642667556.db2.gz UHVXWNDPNGDYKV-MWLCHTKSSA-N 0 0 238.258 2.408 10 0 BEAERN CCCc1c(N)n[nH]c1-c1cnc(C)s1 ZINC000233397585 642668209 /nfs/dbraw/zinc/66/82/09/642668209.db2.gz MHSITWUSLYWJJQ-UHFFFAOYSA-N 0 0 222.317 2.376 10 0 BEAERN Cc1cc(C)c(C(=O)O[C@@H](C)[C@H]2CCOC2)o1 ZINC000175268613 642668478 /nfs/dbraw/zinc/66/84/78/642668478.db2.gz QMKOLARMXRKTMA-QWRGUYRKSA-N 0 0 238.283 2.478 10 0 BEAERN C[C@H](OC(=O)Cc1ccsc1)[C@@H]1CCOC1 ZINC000175299831 642673033 /nfs/dbraw/zinc/67/30/33/642673033.db2.gz VJGYLUBZUGLHNT-GXSJLCMTSA-N 0 0 240.324 2.259 10 0 BEAERN C[C@H]1CN(c2nccs2)CCS1 ZINC000306290917 642736141 /nfs/dbraw/zinc/73/61/41/642736141.db2.gz QMKRKMXVVSDGIO-ZETCQYMHSA-N 0 0 200.332 2.085 10 0 BEAERN Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000075991899 642932594 /nfs/dbraw/zinc/93/25/94/642932594.db2.gz UYECARDCPCPLCP-OLZOCXBDSA-N 0 0 233.311 2.033 10 0 BEAERN CCC[C@H](N)c1nc(-c2ccoc2)no1 ZINC000069946039 642942161 /nfs/dbraw/zinc/94/21/61/642942161.db2.gz GVVDCHIVJMFHHO-QMMMGPOBSA-N 0 0 207.233 2.130 10 0 BEAERN COCCCSC[C@H](O)c1ccccc1 ZINC000070167363 642986877 /nfs/dbraw/zinc/98/68/77/642986877.db2.gz DZACKOYEZOAQRB-LBPRGKRZSA-N 0 0 226.341 2.490 10 0 BEAERN Cc1nonc1COc1cccc([C@@H](C)O)c1 ZINC000070262048 643008879 /nfs/dbraw/zinc/00/88/79/643008879.db2.gz JFPAOAJDZVNNNV-SECBINFHSA-N 0 0 234.255 2.010 10 0 BEAERN CCn1ccnc1CN[C@@H]1COc2ccccc21 ZINC000070528342 643034984 /nfs/dbraw/zinc/03/49/84/643034984.db2.gz BXLIOJDWEATTCV-GFCCVEGCSA-N 0 0 243.310 2.126 10 0 BEAERN CC(C)(C)SCC(=O)NCC(F)(F)F ZINC000119664426 643062719 /nfs/dbraw/zinc/06/27/19/643062719.db2.gz XPMVOQVGCKJJLM-UHFFFAOYSA-N 0 0 229.267 2.197 10 0 BEAERN CCC[C@@H]([NH2+]CC1(C)CCCC1)C(=O)[O-] ZINC000216508226 643075685 /nfs/dbraw/zinc/07/56/85/643075685.db2.gz FHQBIAIVJAOXHV-SNVBAGLBSA-N 0 0 213.321 2.410 10 0 BEAERN CC(C)(C)[C@@H](O)COc1ccc(C=O)cc1F ZINC000304211288 643089071 /nfs/dbraw/zinc/08/90/71/643089071.db2.gz FDXWPCAGUXNVEG-LBPRGKRZSA-N 0 0 240.274 2.424 10 0 BEAERN CSCC[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252940822 643148037 /nfs/dbraw/zinc/14/80/37/643148037.db2.gz IVGVNLDVQUZGCM-MMWGEVLESA-N 0 0 227.373 2.290 10 0 BEAERN CCc1cnccc1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000183653704 643153149 /nfs/dbraw/zinc/15/31/49/643153149.db2.gz ZWMRGSVDMOGTLY-CMPLNLGQSA-N 0 0 249.310 2.226 10 0 BEAERN N#CC1(COC(=O)[C@@H]2C[C@@H]2C2CC2)CCC1 ZINC000183830884 643172202 /nfs/dbraw/zinc/17/22/02/643172202.db2.gz UEANOTHZXNVHBE-GHMZBOCLSA-N 0 0 219.284 2.270 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C/C(Cl)=C\Cl ZINC000254966591 643187000 /nfs/dbraw/zinc/18/70/00/643187000.db2.gz NAMAWTPFJFKGKD-VWKYRKHGSA-N 0 0 224.131 2.415 10 0 BEAERN CCCOC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000131077029 643216067 /nfs/dbraw/zinc/21/60/67/643216067.db2.gz IYZZUTNCFYJBBM-GFCCVEGCSA-N 0 0 243.347 2.127 10 0 BEAERN CCCC(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000078523319 643225800 /nfs/dbraw/zinc/22/58/00/643225800.db2.gz LNGNWIKSPQYEPK-BXUZGUMPSA-N 0 0 235.327 2.367 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCC(C)(C)CC#N)O1 ZINC000184799947 643237922 /nfs/dbraw/zinc/23/79/22/643237922.db2.gz CNLOGUADJZBFIQ-ZJUUUORDSA-N 0 0 225.288 2.037 10 0 BEAERN CC1(C)CCc2nc(C(N)=S)sc2C1 ZINC000757121879 643239613 /nfs/dbraw/zinc/23/96/13/643239613.db2.gz RCTSLSHARLQFPQ-UHFFFAOYSA-N 0 0 226.370 2.292 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1csc(Cl)n1 ZINC000306955965 643299938 /nfs/dbraw/zinc/29/99/38/643299938.db2.gz QVLMQZAGFXFUBZ-IONNQARKSA-N 0 0 246.763 2.142 10 0 BEAERN Cc1cc(C[C@@H]2COCC2=O)ccc1Cl ZINC000757155389 643345666 /nfs/dbraw/zinc/34/56/66/643345666.db2.gz APLHFLFUUWBFOZ-SNVBAGLBSA-N 0 0 224.687 2.406 10 0 BEAERN CC[C@H](NC)c1nc([C@@H]2CC2(C)C)no1 ZINC000234053899 643356807 /nfs/dbraw/zinc/35/68/07/643356807.db2.gz GOCGIJHUQAFBQI-YUMQZZPRSA-N 0 0 209.293 2.254 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1ccc2sccc2c1 ZINC000757191364 643362776 /nfs/dbraw/zinc/36/27/76/643362776.db2.gz KIKOECHGLFEWCE-MNOVXSKESA-N 0 0 247.319 2.289 10 0 BEAERN CSCC[C@@H](N)c1nc(CC(C)(C)C)no1 ZINC000082673334 643364785 /nfs/dbraw/zinc/36/47/85/643364785.db2.gz OOKAEMUVOPMOSO-MRVPVSSYSA-N 0 0 243.376 2.411 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)OCC(C)(C)Br ZINC000757211041 643369891 /nfs/dbraw/zinc/36/98/91/643369891.db2.gz NCIGNRWSLFWWOQ-RNFRBKRXSA-N 0 0 235.121 2.359 10 0 BEAERN COCCNc1ccc2c(ccn2C)c1 ZINC000082710894 643372366 /nfs/dbraw/zinc/37/23/66/643372366.db2.gz JQHVDPDMCAFGRP-UHFFFAOYSA-N 0 0 204.273 2.237 10 0 BEAERN CCCOc1ccc([C@H]2CC(=O)N2)cc1 ZINC000082762357 643375183 /nfs/dbraw/zinc/37/51/83/643375183.db2.gz HIBOOIMJMBLAAA-LLVKDONJSA-N 0 0 205.257 2.036 10 0 BEAERN Cc1cnn2c1NCC[C@@H]2C(F)(F)F ZINC000235807599 643497408 /nfs/dbraw/zinc/49/74/08/643497408.db2.gz DRYXTOHGBYFUBO-ZCFIWIBFSA-N 0 0 205.183 2.111 10 0 BEAERN Nc1cc(-c2nc[nH]n2)cc(C(F)(F)F)c1 ZINC000042040820 643502156 /nfs/dbraw/zinc/50/21/56/643502156.db2.gz ZJZFHRJKJSEQCJ-UHFFFAOYSA-N 0 0 228.177 2.073 10 0 BEAERN O=C(CCn1cccn1)OC1CCCCC1 ZINC000121132936 643525946 /nfs/dbraw/zinc/52/59/46/643525946.db2.gz KVFMBZFSRGHDRL-UHFFFAOYSA-N 0 0 222.288 2.149 10 0 BEAERN CCc1c(N)n(C)nc1-c1ccoc1Cl ZINC000234146916 643533320 /nfs/dbraw/zinc/53/33/20/643533320.db2.gz BVDRAIOQAQCGAJ-UHFFFAOYSA-N 0 0 225.679 2.478 10 0 BEAERN CC1(C)CCC[C@@]2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000083436884 643534012 /nfs/dbraw/zinc/53/40/12/643534012.db2.gz UWAQVMKAFJQYQY-GWCFXTLKSA-N 0 0 225.332 2.267 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(O)cc1C ZINC000234156759 643543728 /nfs/dbraw/zinc/54/37/28/643543728.db2.gz PYXDNOAEXNHMKG-DGCLKSJQSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc2n(n1)[C@H](c1nccs1)CCN2 ZINC000235995656 643561749 /nfs/dbraw/zinc/56/17/49/643561749.db2.gz NSXZZAIZTRTBRW-QMMMGPOBSA-N 0 0 220.301 2.053 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ncc(Cl)cc1F ZINC000307664654 643569083 /nfs/dbraw/zinc/56/90/83/643569083.db2.gz KTIDQYIXEURWDZ-NTSWFWBYSA-N 0 0 218.659 2.055 10 0 BEAERN CONC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000046760341 643575352 /nfs/dbraw/zinc/57/53/52/643575352.db2.gz DYTSJCSGDBHLGT-UHFFFAOYSA-N 0 0 235.214 2.377 10 0 BEAERN CC(C)(C)OC(=O)[C@]1(F)CCCCC1=O ZINC000196276949 643641728 /nfs/dbraw/zinc/64/17/28/643641728.db2.gz ZURLXTXILAXBOB-NSHDSACASA-N 0 0 216.252 2.180 10 0 BEAERN Cc1cc(C)n(-c2ncc(C=O)cc2C)n1 ZINC000087718009 643669821 /nfs/dbraw/zinc/66/98/21/643669821.db2.gz MWQVIXWLGSKVGN-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN Cc1nn(C)cc1-c1cccc(C=O)c1 ZINC000085017748 643681081 /nfs/dbraw/zinc/68/10/81/643681081.db2.gz LKRZLJHXUPDYMM-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN C/C(=C/C(=O)NCc1cscn1)C1CC1 ZINC000050408784 643699590 /nfs/dbraw/zinc/69/95/90/643699590.db2.gz RILPZORSTSHQOL-YWEYNIOJSA-N 0 0 222.313 2.116 10 0 BEAERN CSc1ccccc1-c1cc(N)n(C)n1 ZINC000086096850 643905159 /nfs/dbraw/zinc/90/51/59/643905159.db2.gz RDHRNKBDKHPFKK-UHFFFAOYSA-N 0 0 219.313 2.391 10 0 BEAERN FC(F)C(F)(F)c1n[nH]c(=S)n1C1CC1 ZINC000228208540 644060083 /nfs/dbraw/zinc/06/00/83/644060083.db2.gz JFESFSDYGUKWHN-UHFFFAOYSA-N 0 0 241.213 2.259 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCc1ccoc1 ZINC000192204512 644137752 /nfs/dbraw/zinc/13/77/52/644137752.db2.gz UXEKWCINLCJCTO-ONGXEEELSA-N 0 0 224.256 2.138 10 0 BEAERN CCOCCCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192238176 644140192 /nfs/dbraw/zinc/14/01/92/644140192.db2.gz BXFUJSAAXJSWLU-NEPJUHHUSA-N 0 0 244.331 2.161 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H]1CCCO[C@H]1C ZINC000192249698 644141391 /nfs/dbraw/zinc/14/13/91/644141391.db2.gz XRCPCJIPUIISHQ-GARJFASQSA-N 0 0 214.305 2.389 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)O[C@@H](C#N)C(C)(C)C ZINC000192285251 644141777 /nfs/dbraw/zinc/14/17/77/644141777.db2.gz KOKBFOFKHUIQRD-DCAQKATOSA-N 0 0 239.315 2.283 10 0 BEAERN C=C[C@H](CC)OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192279735 644141992 /nfs/dbraw/zinc/14/19/92/644141992.db2.gz OOIWBXWOZDLMGF-MXWKQRLJSA-N 0 0 212.289 2.309 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@@H]1CCCO[C@H]1C ZINC000192281375 644142883 /nfs/dbraw/zinc/14/28/83/644142883.db2.gz MJUAOORIGWUUHQ-NWDGAFQWSA-N 0 0 238.327 2.394 10 0 BEAERN CCC1CCC(NC(=O)N(C)OC)CC1 ZINC000192371780 644146381 /nfs/dbraw/zinc/14/63/81/644146381.db2.gz VZYNCXHOBGXANG-UHFFFAOYSA-N 0 0 214.309 2.158 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H]1CCCCO1 ZINC000132628030 644156623 /nfs/dbraw/zinc/15/66/23/644156623.db2.gz DZGLPJLWRIFCLQ-UWVGGRQHSA-N 0 0 200.278 2.143 10 0 BEAERN Cc1occc1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000079175566 644158775 /nfs/dbraw/zinc/15/87/75/644158775.db2.gz KIXHMKVZKVKLPZ-SCZZXKLOSA-N 0 0 224.256 2.170 10 0 BEAERN C[C@@H](OC(=O)c1cccc(F)c1)[C@@H]1CCOC1 ZINC000079176691 644159266 /nfs/dbraw/zinc/15/92/66/644159266.db2.gz AKDWXSBRVDLDJD-MWLCHTKSSA-N 0 0 238.258 2.408 10 0 BEAERN C[C@H](OC(=O)CCc1ccco1)[C@@H]1CCOC1 ZINC000079177474 644159694 /nfs/dbraw/zinc/15/96/94/644159694.db2.gz WYRXLLLKJOUFRX-WDEREUQCSA-N 0 0 238.283 2.180 10 0 BEAERN C[C@H](OC(=O)/C=C/c1ccco1)[C@H]1CCOC1 ZINC000079176684 644160092 /nfs/dbraw/zinc/16/00/92/644160092.db2.gz ZGUAJYDDBNPLCH-NNOMMRTBSA-N 0 0 236.267 2.261 10 0 BEAERN O=C([O-])[C@H]1CCC[N@@H+]1[C@H]1CCc2ccccc21 ZINC000086726882 644167372 /nfs/dbraw/zinc/16/73/72/644167372.db2.gz YTGIBINGTJYCBF-QWHCGFSZSA-N 0 0 231.295 2.223 10 0 BEAERN C[C@H](O)c1nc2ccccc2n1Cc1ccon1 ZINC000192835160 644186707 /nfs/dbraw/zinc/18/67/07/644186707.db2.gz WPMJKBSXJDOEKC-VIFPVBQESA-N 0 0 243.266 2.126 10 0 BEAERN COCc1ccc(NC(=O)[C@H](C)COC)cc1 ZINC000195260681 644374664 /nfs/dbraw/zinc/37/46/64/644374664.db2.gz RTSJPEJQHOIDNF-SNVBAGLBSA-N 0 0 237.299 2.054 10 0 BEAERN CCCCCCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084225151 644420046 /nfs/dbraw/zinc/42/00/46/644420046.db2.gz CHOOBKZFRCGIFM-RYUDHWBXSA-N 0 0 227.348 2.234 10 0 BEAERN CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)[O-] ZINC000084901962 644435966 /nfs/dbraw/zinc/43/59/66/644435966.db2.gz NTAUMAQZOJSLLN-AXFHLTTASA-N 0 0 213.321 2.264 10 0 BEAERN Cc1ncn(-c2nc(Cl)c(C=O)s2)c1C ZINC000087768019 644500429 /nfs/dbraw/zinc/50/04/29/644500429.db2.gz LKCLQCBOERMAQT-UHFFFAOYSA-N 0 0 241.703 2.412 10 0 BEAERN Cc1nccn1-c1nc(Cl)c(C=O)s1 ZINC000087768001 644501117 /nfs/dbraw/zinc/50/11/17/644501117.db2.gz ZOFYCJLWTVWNAK-UHFFFAOYSA-N 0 0 227.676 2.103 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1C[C@H]1C)C1CCOCC1 ZINC000246393565 644584554 /nfs/dbraw/zinc/58/45/54/644584554.db2.gz SOGLTSUCFVZRAP-FXPVBKGRSA-N 0 0 212.289 2.001 10 0 BEAERN C[C@H](OC(=O)C[C@@H]1C=CCC1)[C@H]1CCOC1 ZINC000246449407 644589008 /nfs/dbraw/zinc/58/90/08/644589008.db2.gz FGOPQSKUTSGQHN-TUAOUCFPSA-N 0 0 224.300 2.311 10 0 BEAERN C[C@]1(COC(=O)[C@H]2C[C@H]2C2CC2)CCCO1 ZINC000246478452 644590299 /nfs/dbraw/zinc/59/02/99/644590299.db2.gz HINRVJSLSYUBLG-GMXVVIOVSA-N 0 0 224.300 2.145 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000248282052 644673534 /nfs/dbraw/zinc/67/35/34/644673534.db2.gz VRLUIHOGFSVJLM-WHOHXGKFSA-N 0 0 242.315 2.055 10 0 BEAERN O=C(NOC1CCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251018375 644789354 /nfs/dbraw/zinc/78/93/54/644789354.db2.gz DRAKSNQMQYLVGL-ILWJIGKKSA-N 0 0 209.289 2.023 10 0 BEAERN CCOC(=O)c1c(C=O)c2cc(F)ccc2n1C ZINC000757121167 644863733 /nfs/dbraw/zinc/86/37/33/644863733.db2.gz FEVRILIOXYOTMK-UHFFFAOYSA-N 0 0 249.241 2.307 10 0 BEAERN CCCOC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000304537890 644915151 /nfs/dbraw/zinc/91/51/51/644915151.db2.gz IEYYOABHPOXDOC-MNOVXSKESA-N 0 0 227.304 2.176 10 0 BEAERN COC(=O)C[C@@H](C)C(=O)Oc1ccc(C)cc1 ZINC000034528815 645510422 /nfs/dbraw/zinc/51/04/22/645510422.db2.gz AJCHPOJTUPLUPB-SNVBAGLBSA-N 0 0 236.267 2.100 10 0 BEAERN COCc1ccc(C(=O)OCC(C)C)o1 ZINC000123005592 645751398 /nfs/dbraw/zinc/75/13/98/645751398.db2.gz ZGRRKBWMPFAKIM-UHFFFAOYSA-N 0 0 212.245 2.239 10 0 BEAERN CC(C)CCOC(=O)c1cnn2c1CCCC2 ZINC000125635239 645782239 /nfs/dbraw/zinc/78/22/39/645782239.db2.gz HTNPNBUAFYXHHZ-UHFFFAOYSA-N 0 0 236.315 2.422 10 0 BEAERN CC(=O)c1cccc(N2CCCCC2)n1 ZINC000107373096 645911859 /nfs/dbraw/zinc/91/18/59/645911859.db2.gz PKLXJVCCOVXINT-UHFFFAOYSA-N 0 0 204.273 2.275 10 0 BEAERN C[C@@H]1CCCC[C@H]1N(C)c1ncc(C=O)cn1 ZINC000126301203 645929641 /nfs/dbraw/zinc/92/96/41/645929641.db2.gz XTYIQGDFKDZQQN-ZYHUDNBSSA-N 0 0 233.315 2.304 10 0 BEAERN C[C@H]1CCCC[C@@H]1N(C)c1ncc(C=O)cn1 ZINC000126301061 645929705 /nfs/dbraw/zinc/92/97/05/645929705.db2.gz XTYIQGDFKDZQQN-JQWIXIFHSA-N 0 0 233.315 2.304 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2cc(C(F)F)ncn2)C1 ZINC000724616796 711599024 /nfs/dbraw/zinc/59/90/24/711599024.db2.gz BYXLERKGPCRBTK-JGVFFNPUSA-N 0 0 243.257 2.130 10 0 BEAERN CCNC(=S)N[C@H](C)c1ccc(C)o1 ZINC000135793322 711661541 /nfs/dbraw/zinc/66/15/41/711661541.db2.gz XQUTWULHOAUKLY-MRVPVSSYSA-N 0 0 212.318 2.133 10 0 BEAERN CCC[C@@H](CNC(=O)OC(C)C)OCC ZINC000705300134 712127851 /nfs/dbraw/zinc/12/78/51/712127851.db2.gz VTIPUSQSSRZZGA-JTQLQIEISA-N 0 0 217.309 2.326 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000707787096 712178463 /nfs/dbraw/zinc/17/84/63/712178463.db2.gz SKVPWXHWDCJYLI-CMPLNLGQSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000707842359 712179554 /nfs/dbraw/zinc/17/95/54/712179554.db2.gz XVRRPBBKOCSZCY-ZDUSSCGKSA-N 0 0 237.343 2.394 10 0 BEAERN COC1(OC)CC[C@@H]1N[C@H](C)c1ccc(C)o1 ZINC000711042468 712276278 /nfs/dbraw/zinc/27/62/78/712276278.db2.gz QSZKMUUYWAKUCO-PWSUYJOCSA-N 0 0 239.315 2.390 10 0 BEAERN CC[C@@H](NC(=O)/C=C/SC)C(C)C ZINC000379409286 712383134 /nfs/dbraw/zinc/38/31/34/712383134.db2.gz CPLMTTLLVJTWJX-XCODYQFDSA-N 0 0 201.335 2.414 10 0 BEAERN CCC[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381528 712458799 /nfs/dbraw/zinc/45/87/99/712458799.db2.gz LQEGCOAFFBYVDU-MNOVXSKESA-N 0 0 243.347 2.035 10 0 BEAERN C=C/C=C/CCNC(=O)C1C[C@H]2C[C@H]2C1 ZINC000713500410 712463583 /nfs/dbraw/zinc/46/35/83/712463583.db2.gz ZAFBPECWCQAPQA-GZXMXEMNSA-N 0 0 205.301 2.281 10 0 BEAERN COCC1CC(Nc2nc(C(C)C)ns2)C1 ZINC000714006189 712476806 /nfs/dbraw/zinc/47/68/06/712476806.db2.gz GQFCLQFDKMPZBY-UHFFFAOYSA-N 0 0 241.360 2.498 10 0 BEAERN CCC[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337787 712482611 /nfs/dbraw/zinc/48/26/11/712482611.db2.gz KNKNWCDITBUSBB-MNOVXSKESA-N 0 0 243.347 2.177 10 0 BEAERN Cc1ccccc1N[C@H](C)c1cn(C)nn1 ZINC000715924504 712542763 /nfs/dbraw/zinc/54/27/63/712542763.db2.gz VUSKDQAXLWTBOO-SNVBAGLBSA-N 0 0 216.288 2.297 10 0 BEAERN CC[C@H](C[C@H](C)O)NC(=O)[C@@H]1CCC[C@H]1C ZINC000716799300 712574787 /nfs/dbraw/zinc/57/47/87/712574787.db2.gz YFUQJGUVRAPIGL-WRWGMCAJSA-N 0 0 227.348 2.088 10 0 BEAERN C[C@H](C(=O)N1[C@H](C)COC[C@H]1C)C1CCCC1 ZINC000041315070 712719614 /nfs/dbraw/zinc/71/96/14/712719614.db2.gz KVAJKTKEZQNSSD-UTUOFQBUSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@@H]1CSCCN(C(=O)N2CCCCC2)C1 ZINC000380380695 712900303 /nfs/dbraw/zinc/90/03/03/712900303.db2.gz OFOAKMOMIKQTIV-NSHDSACASA-N 0 0 242.388 2.277 10 0 BEAERN CC(C)NC(=S)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724467688 710741535 /nfs/dbraw/zinc/74/15/35/710741535.db2.gz VUCDSBXNGCQAMQ-JGPRNRPPSA-N 0 0 244.404 2.063 10 0 BEAERN C[C@@H](CCc1ccco1)NC(=O)n1ccnc1 ZINC000049569996 711449647 /nfs/dbraw/zinc/44/96/47/711449647.db2.gz HCIOGSXCQYOHJI-JTQLQIEISA-N 0 0 233.271 2.055 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1 ZINC000306707495 711460634 /nfs/dbraw/zinc/46/06/34/711460634.db2.gz MUOUDYMWKZTYGI-STQMWFEESA-N 0 0 233.311 2.118 10 0 BEAERN CC(C)(C)[C@H](O)COc1ccc(F)nc1 ZINC000308782993 711535051 /nfs/dbraw/zinc/53/50/51/711535051.db2.gz DMWRBXQRKWVETA-SECBINFHSA-N 0 0 213.252 2.007 10 0 BEAERN CC(C)OC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723840216 711538116 /nfs/dbraw/zinc/53/81/16/711538116.db2.gz NPRQUBFDEDGSCP-RYUDHWBXSA-N 0 0 241.331 2.326 10 0 BEAERN CC[C@@H](NC(=O)OC(C)C)[C@@H]1CCCOC1 ZINC000723846413 711539103 /nfs/dbraw/zinc/53/91/03/711539103.db2.gz SVRRISVKPLZUPJ-GHMZBOCLSA-N 0 0 229.320 2.326 10 0 BEAERN CCCNC(=S)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000724467340 711581926 /nfs/dbraw/zinc/58/19/26/711581926.db2.gz LKFTZCBLDFIGHL-NXEZZACHSA-N 0 0 244.404 2.064 10 0 BEAERN Cc1cc(C(=O)OC[C@@H]2CC=CCC2)n(C)n1 ZINC000126540768 711768583 /nfs/dbraw/zinc/76/85/83/711768583.db2.gz HMMZYEDJVSVHDR-LLVKDONJSA-N 0 0 234.299 2.242 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721774951 711768999 /nfs/dbraw/zinc/76/89/99/711768999.db2.gz BEBMSVQLYHNFFC-IJLUTSLNSA-N 0 0 239.359 2.042 10 0 BEAERN CC(=O)c1cccc(OC(=O)C2CCOCC2)c1 ZINC000060668091 711834959 /nfs/dbraw/zinc/83/49/59/711834959.db2.gz CLQYZJYSGCHIAM-UHFFFAOYSA-N 0 0 248.278 2.221 10 0 BEAERN CCCc1nccnc1NC[C@@H](O)CC(C)C ZINC000700131832 711986572 /nfs/dbraw/zinc/98/65/72/711986572.db2.gz YYEDUDPAZKGAPK-NSHDSACASA-N 0 0 237.347 2.248 10 0 BEAERN CC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700647120 712002048 /nfs/dbraw/zinc/00/20/48/712002048.db2.gz XMZNWDBWAIMRDG-GWCFXTLKSA-N 0 0 233.311 2.043 10 0 BEAERN CCCOC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700713708 712003825 /nfs/dbraw/zinc/00/38/25/712003825.db2.gz GSRBKVCWGVPZTN-LBPRGKRZSA-N 0 0 220.268 2.081 10 0 BEAERN CNc1nc(C)ccc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000706754532 712154102 /nfs/dbraw/zinc/15/41/02/712154102.db2.gz NKYASIYEWSNHBZ-ZYHUDNBSSA-N 0 0 245.326 2.056 10 0 BEAERN Clc1cncc(N2C[C@H]3CCC[C@H]32)n1 ZINC000706884130 712159090 /nfs/dbraw/zinc/15/90/90/712159090.db2.gz QWDQKYWIRAQDJB-HTQZYQBOSA-N 0 0 209.680 2.119 10 0 BEAERN O=C(c1cccc(Cl)n1)N1C[C@@H]2CCC[C@@H]21 ZINC000706886255 712159132 /nfs/dbraw/zinc/15/91/32/712159132.db2.gz WUDSWGKEQGUTIT-WPRPVWTQSA-N 0 0 236.702 2.360 10 0 BEAERN CSC1CC(NC(=O)c2ccccc2)C1 ZINC000707121628 712165400 /nfs/dbraw/zinc/16/54/00/712165400.db2.gz LPMSQJFPFZMMAN-UHFFFAOYSA-N 0 0 221.325 2.310 10 0 BEAERN CCC[C@@H](C)NC(=O)NC1CC(SC)C1 ZINC000707273501 712168064 /nfs/dbraw/zinc/16/80/64/712168064.db2.gz CLLJSEMXEFZYFM-XNWIYYODSA-N 0 0 230.377 2.368 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC000707848405 712180294 /nfs/dbraw/zinc/18/02/94/712180294.db2.gz RZGXAIUEKFUQJX-NSHDSACASA-N 0 0 237.343 2.250 10 0 BEAERN C[C@H](CSC[C@@H](O)CO)CC(C)(C)C ZINC000709152334 712210537 /nfs/dbraw/zinc/21/05/37/712210537.db2.gz OOORNCNPPGOWGM-UWVGGRQHSA-N 0 0 220.378 2.145 10 0 BEAERN CN(CCOC(C)(C)C)C(=O)N1CCCCC1 ZINC000708516840 712212132 /nfs/dbraw/zinc/21/21/32/712212132.db2.gz MPUJYZIUHSTKAA-UHFFFAOYSA-N 0 0 242.363 2.339 10 0 BEAERN CC[C@H](CC(=O)N[C@@H](C)[C@@H](C)O)C(C)(C)C ZINC000711141888 712286476 /nfs/dbraw/zinc/28/64/76/712286476.db2.gz LJNSTPLWHBIEOD-HBNTYKKESA-N 0 0 229.364 2.334 10 0 BEAERN CCC[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000712724142 712448807 /nfs/dbraw/zinc/44/88/07/712448807.db2.gz QRBBKUSOFALCOK-WOPDTQHZSA-N 0 0 225.332 2.266 10 0 BEAERN COc1nscc1-c1ccc(C=O)o1 ZINC000712864693 712449778 /nfs/dbraw/zinc/44/97/78/712449778.db2.gz SSDLNTZYQYOXLY-UHFFFAOYSA-N 0 0 209.226 2.224 10 0 BEAERN COC(=O)c1ccc(NCC2CC(OC)C2)cc1 ZINC000714567155 712494877 /nfs/dbraw/zinc/49/48/77/712494877.db2.gz VKPCCDSVRRPUQL-UHFFFAOYSA-N 0 0 249.310 2.310 10 0 BEAERN CCc1nc(C)cn1CC1CC(OC)C1 ZINC000715126520 712511563 /nfs/dbraw/zinc/51/15/63/712511563.db2.gz JCCCQZATIQFHBQ-UHFFFAOYSA-N 0 0 208.305 2.179 10 0 BEAERN Cc1ccc([C@@H](C)N[C@H](C)c2cn(C)nn2)o1 ZINC000715863594 712537148 /nfs/dbraw/zinc/53/71/48/712537148.db2.gz YFVLGIFKRFPGBN-NXEZZACHSA-N 0 0 234.303 2.128 10 0 BEAERN Cc1cc([C@@H](C)N[C@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885421 712539597 /nfs/dbraw/zinc/53/95/97/712539597.db2.gz SDWKILIAIBIXAN-NXEZZACHSA-N 0 0 248.330 2.437 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC000716851540 712578634 /nfs/dbraw/zinc/57/86/34/712578634.db2.gz ZWADSEKMZVYPMC-IGQOVBAYSA-N 0 0 249.354 2.250 10 0 BEAERN CCC1(COC(=O)/C=C/c2cccnc2)COC1 ZINC000132948320 712639798 /nfs/dbraw/zinc/63/97/98/712639798.db2.gz CBVLEQPYSUHWGT-AATRIKPKSA-N 0 0 247.294 2.065 10 0 BEAERN Cc1sc(C)c(C2OCCO2)c1C=O ZINC000950757181 712726399 /nfs/dbraw/zinc/72/63/99/712726399.db2.gz FCYYEYCAKNPYHV-UHFFFAOYSA-N 0 0 212.270 2.223 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@H+](C)C[C@H]1CCSC1 ZINC000718364684 712757104 /nfs/dbraw/zinc/75/71/04/712757104.db2.gz YZNZXQKICNXFPE-GHMZBOCLSA-N 0 0 245.388 2.171 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)[C@H](C)O ZINC000719007851 712793491 /nfs/dbraw/zinc/79/34/91/712793491.db2.gz KBSNGZHTGIGOFY-GRYCIOLGSA-N 0 0 225.332 2.008 10 0 BEAERN CC[C@H](C)c1noc(-c2cnc(N)s2)n1 ZINC000719957815 712826502 /nfs/dbraw/zinc/82/65/02/712826502.db2.gz UBSHNDKJSVYPOP-YFKPBYRVSA-N 0 0 224.289 2.289 10 0 BEAERN Cc1ccc(CN[C@@H](C)c2cn(C)nn2)c(F)c1 ZINC000720594941 712856657 /nfs/dbraw/zinc/85/66/57/712856657.db2.gz JBQUFOAJDJKXGK-JTQLQIEISA-N 0 0 248.305 2.113 10 0 BEAERN CC(=O)NCCNc1nc2cc(C)ccc2s1 ZINC000036746528 1165912695 /nfs/dbraw/zinc/91/26/95/1165912695.db2.gz ZIFKIFUUZVCGRJ-UHFFFAOYSA-N 0 0 249.339 2.153 10 0 BEAERN CC(=O)N(C)c1ccc(NC(C)C)cc1 ZINC000128576539 1166142537 /nfs/dbraw/zinc/14/25/37/1166142537.db2.gz BPVFSZBZCWNJBY-UHFFFAOYSA-N 0 0 206.289 2.490 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)Nc1cc(C)[nH]n1 ZINC000135970208 1166437556 /nfs/dbraw/zinc/43/75/56/1166437556.db2.gz LUJWOXVMJUNKET-UHFFFAOYSA-N 0 0 237.303 2.052 10 0 BEAERN C=COCCOC(=O)c1ccc(C)s1 ZINC000128369749 1166625203 /nfs/dbraw/zinc/62/52/03/1166625203.db2.gz PDUSYEWCXLBJJX-UHFFFAOYSA-N 0 0 212.270 2.373 10 0 BEAERN Nc1c(Cl)cccc1C(=O)NCC1CC1 ZINC000125392267 1166921162 /nfs/dbraw/zinc/92/11/62/1166921162.db2.gz CZQRXYQWMKHMLN-UHFFFAOYSA-N 0 0 224.691 2.062 10 0 BEAERN CCNC(=O)c1cc(Cl)cc(Cl)c1N ZINC000060249350 1167144629 /nfs/dbraw/zinc/14/46/29/1167144629.db2.gz ZRLUPDRLOGDHHC-UHFFFAOYSA-N 0 0 233.098 2.325 10 0 BEAERN C[C@@H](F)CC[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000702643179 977098544 /nfs/dbraw/zinc/09/85/44/977098544.db2.gz HVMQDDDJSDMMEU-RNFRBKRXSA-N 0 0 246.307 2.240 10 0 BEAERN O=C([O-])CCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708821948 977445028 /nfs/dbraw/zinc/44/50/28/977445028.db2.gz IHJAEKJAKJZSDG-GFCCVEGCSA-N 0 0 225.332 2.363 10 0 BEAERN O=C([O-])[C@H]1[C@H](C[NH2+]CCCC2CCC2)C1(F)F ZINC000715305746 977735140 /nfs/dbraw/zinc/73/51/40/977735140.db2.gz XTVVPRUFCSCQAM-VHSXEESVSA-N 0 0 247.285 2.122 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]C2(C3CC3)CC2)s1 ZINC000700110410 954860460 /nfs/dbraw/zinc/86/04/60/954860460.db2.gz ZTJLMOLMPPUQAY-UHFFFAOYSA-N 0 0 237.324 2.479 10 0 BEAERN C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])c1ccns1 ZINC000715994877 955125229 /nfs/dbraw/zinc/12/52/29/955125229.db2.gz UVGSQEUOAIAHIZ-MRVPVSSYSA-N 0 0 242.344 2.295 10 0 BEAERN CC/C=C\COC(=O)c1oc(C)nc1C ZINC000588447083 958544459 /nfs/dbraw/zinc/54/44/59/958544459.db2.gz IDUOCGOLGDZHJF-WAYWQWQTSA-N 0 0 209.245 2.414 10 0 BEAERN CC/C=C\COC(=O)c1ccc2nnn(C)c2c1 ZINC000588447093 958544339 /nfs/dbraw/zinc/54/43/39/958544339.db2.gz LUVRMCZRFLFOOA-PLNGDYQASA-N 0 0 245.282 2.091 10 0 BEAERN CCC(C)(C)COC(=O)/C=C\c1ccncn1 ZINC000588468247 958697167 /nfs/dbraw/zinc/69/71/67/958697167.db2.gz MGOBMFDHOPEIOA-WAYWQWQTSA-N 0 0 234.299 2.469 10 0 BEAERN C/C=C(/CC)C(=O)OCC1(CC)COC1 ZINC000588569930 959254419 /nfs/dbraw/zinc/25/44/19/959254419.db2.gz ILRURFCAHUHSDT-WMZJFQQLSA-N 0 0 212.289 2.313 10 0 BEAERN C/C=C(\CC)C(=O)O[C@H](C)Cn1cccn1 ZINC000588569945 959258353 /nfs/dbraw/zinc/25/83/53/959258353.db2.gz KXWCFAGSZSVVBR-CGGZTBSLSA-N 0 0 222.288 2.171 10 0 BEAERN O=C1Nc2ccc(F)cc2/C1=C/c1cocn1 ZINC000588579973 959343469 /nfs/dbraw/zinc/34/34/69/959343469.db2.gz RKUMMINDGFODNU-WMZJFQQLSA-N 0 0 230.198 2.306 10 0 BEAERN C/C=C(/CC)C(=O)OCc1nnc(C)n1C1CC1 ZINC000588568908 960099133 /nfs/dbraw/zinc/09/91/33/960099133.db2.gz CSFGTGPQKBQYOG-WMZJFQQLSA-N 0 0 249.314 2.321 10 0 BEAERN CC(C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000111342475 960691893 /nfs/dbraw/zinc/69/18/93/960691893.db2.gz NKCPCNBDMJOLKU-UHFFFAOYSA-N 0 0 231.292 2.000 10 0 BEAERN C/C=C\C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000211355903 966726467 /nfs/dbraw/zinc/72/64/67/966726467.db2.gz IYTZBYCZRXZHSW-JLIVMUMWSA-N 0 0 215.296 2.236 10 0 BEAERN CCOC1CCC([NH2+][C@@H](C(=O)[O-])C(C)C)CC1 ZINC000691112121 968906156 /nfs/dbraw/zinc/90/61/56/968906156.db2.gz LLLIJUCHJMUKHZ-HTAVTVPLSA-N 0 0 243.347 2.033 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706339655 969014353 /nfs/dbraw/zinc/01/43/53/969014353.db2.gz AMWLEBFOFGMBDL-RKDXNWHRSA-N 0 0 235.274 2.073 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@@H](C)CC1CCCC1 ZINC000712514606 969062712 /nfs/dbraw/zinc/06/27/12/969062712.db2.gz LFNUAHOYRUMFAK-VHSXEESVSA-N 0 0 213.321 2.408 10 0 BEAERN C[C@H](CC1CCCC1)[NH2+][C@@H](C)CC(=O)[O-] ZINC000712514610 969062947 /nfs/dbraw/zinc/06/29/47/969062947.db2.gz LFNUAHOYRUMFAK-ZJUUUORDSA-N 0 0 213.321 2.408 10 0 BEAERN Cc1coc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000718074696 969099068 /nfs/dbraw/zinc/09/90/68/969099068.db2.gz YMFQZPWTSSPKAQ-GXSJLCMTSA-N 0 0 237.299 2.131 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000690664358 976326873 /nfs/dbraw/zinc/32/68/73/976326873.db2.gz PSGLZQGWRUSETM-JXQTWKCFSA-N 0 0 245.322 2.385 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)C(=O)[O-] ZINC000693070187 976586979 /nfs/dbraw/zinc/58/69/79/976586979.db2.gz GCFHLBLJTXWPBQ-GHMZBOCLSA-N 0 0 243.347 2.035 10 0 BEAERN O=C([O-])c1sccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693277582 976595121 /nfs/dbraw/zinc/59/51/21/976595121.db2.gz VJIVWSFCSWOKLM-BXKDBHETSA-N 0 0 237.324 2.479 10 0 BEAERN C[N@H+](Cc1ccsc1)C(C)(C)CC(=O)[O-] ZINC000694019510 976662218 /nfs/dbraw/zinc/66/22/18/976662218.db2.gz GSEDDISLACOZPM-UHFFFAOYSA-N 0 0 227.329 2.433 10 0 BEAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000694375594 976691762 /nfs/dbraw/zinc/69/17/62/976691762.db2.gz PITUNSUWASNYCE-JIMOISOXSA-N 0 0 246.310 2.058 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000695663726 976799795 /nfs/dbraw/zinc/79/97/95/976799795.db2.gz JEIAEYDKKFYHJP-LLVKDONJSA-N 0 0 223.316 2.162 10 0 BEAERN O=C([O-])Cc1ccccc1C[NH2+]C1(C2CC2)CC1 ZINC000697438545 976844057 /nfs/dbraw/zinc/84/40/57/976844057.db2.gz DZCDWXNKMXJQFX-UHFFFAOYSA-N 0 0 245.322 2.346 10 0 BEAERN CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000698097601 976876896 /nfs/dbraw/zinc/87/68/96/976876896.db2.gz RNJRBKLTASHLHA-VLEAKVRGSA-N 0 0 225.332 2.121 10 0 BEAERN O=C([O-])[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000698385184 976890671 /nfs/dbraw/zinc/89/06/71/976890671.db2.gz BOTFHTPDDFHWIV-MELADBBJSA-N 0 0 245.322 2.448 10 0 BEAERN Cc1cc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)ccn1 ZINC000703493575 977167097 /nfs/dbraw/zinc/16/70/97/977167097.db2.gz VBNNYYDBWZNWGO-UHFFFAOYSA-N 0 0 248.326 2.219 10 0 BEAERN CCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703869672 977208096 /nfs/dbraw/zinc/20/80/96/977208096.db2.gz SQNHFBLGZVMSQE-UHFFFAOYSA-N 0 0 242.706 2.032 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000704859330 977264888 /nfs/dbraw/zinc/26/48/88/977264888.db2.gz GVIKXRUUPPURFV-KKOKHZNYSA-N 0 0 225.332 2.408 10 0 BEAERN CC[C@H]([NH2+]C[C@@H]1CCCC12CC2)C(=O)[O-] ZINC000706207938 977309517 /nfs/dbraw/zinc/30/95/17/977309517.db2.gz PPOVXSBNAKTWBQ-UWVGGRQHSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])n1)C1(C)CC1 ZINC000706600117 977356087 /nfs/dbraw/zinc/35/60/87/977356087.db2.gz WMMLINBXKDICRX-SECBINFHSA-N 0 0 234.299 2.058 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC000706744916 977360433 /nfs/dbraw/zinc/36/04/33/977360433.db2.gz UOBZVYHGLDLNCQ-WDEREUQCSA-N 0 0 249.310 2.104 10 0 BEAERN CC[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C(=O)[O-] ZINC000706753961 977360954 /nfs/dbraw/zinc/36/09/54/977360954.db2.gz KMKMXPBIRBKBDJ-GHMZBOCLSA-N 0 0 211.305 2.186 10 0 BEAERN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@H]1C ZINC000706911484 977368021 /nfs/dbraw/zinc/36/80/21/977368021.db2.gz BABVMQCCRZCBFI-JFGNBEQYSA-N 0 0 219.284 2.153 10 0 BEAERN CCC[C@](C)([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000708330722 977422477 /nfs/dbraw/zinc/42/24/77/977422477.db2.gz PTKZTEQTDNMWRO-GWCFXTLKSA-N 0 0 243.347 2.035 10 0 BEAERN CC(C)([NH2+]C[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000709414760 977458019 /nfs/dbraw/zinc/45/80/19/977458019.db2.gz LSGQQBHCBZSCHK-VQXHTEKXSA-N 0 0 225.332 2.266 10 0 BEAERN C[C@H]1C[N@H+](CC2CC(F)(F)C2)C[C@]1(C)C(=O)[O-] ZINC000710203322 977493367 /nfs/dbraw/zinc/49/33/67/977493367.db2.gz CKJJLGHQPCCABL-KWQFWETISA-N 0 0 247.285 2.074 10 0 BEAERN C=C/C=C/CC[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000713700449 977657042 /nfs/dbraw/zinc/65/70/42/977657042.db2.gz BWXRUOGENAMDTG-BQYQJAHWSA-N 0 0 211.305 2.304 10 0 BEAERN C=C/C=C/CC[NH2+]CCC(C)(C)C(=O)[O-] ZINC000713757667 977657965 /nfs/dbraw/zinc/65/79/65/977657965.db2.gz LOZBMFQALDZTNQ-AATRIKPKSA-N 0 0 211.305 2.209 10 0 BEAERN CCC[NH+](CCC)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000714815588 977680218 /nfs/dbraw/zinc/68/02/18/977680218.db2.gz ZVGZAKYUHHYSAG-DTWKUNHWSA-N 0 0 235.274 2.074 10 0 BEAERN CCC1(C[NH2+]C[C@H]2[C@H](C(=O)[O-])C2(F)F)CCC1 ZINC000715243819 977703370 /nfs/dbraw/zinc/70/33/70/977703370.db2.gz FJUSCMQOMCQVEA-DTWKUNHWSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@H]([NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1CCCC1 ZINC000715245922 977704760 /nfs/dbraw/zinc/70/47/60/977704760.db2.gz GZXYFUOJPYASLT-FXBDTBDDSA-N 0 0 247.285 2.121 10 0 BEAERN CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715248446 977706746 /nfs/dbraw/zinc/70/67/46/977706746.db2.gz MPGFUVIAIPNITN-XFWSIPNHSA-N 0 0 247.285 2.121 10 0 BEAERN CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715248436 977706845 /nfs/dbraw/zinc/70/68/45/977706845.db2.gz MPGFUVIAIPNITN-IMSYWVGJSA-N 0 0 247.285 2.121 10 0 BEAERN CC1(C)CCC[C@@H]1[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715253359 977709683 /nfs/dbraw/zinc/70/96/83/977709683.db2.gz WZZTXQVZTVAHPQ-XHNCKOQMSA-N 0 0 247.285 2.121 10 0 BEAERN C[C@H]([NH2+][C@H]1CC12CC2)c1ncc(C(=O)[O-])s1 ZINC000715273901 977718716 /nfs/dbraw/zinc/71/87/16/977718716.db2.gz XCRXMTLWMIJINC-XPUUQOCRSA-N 0 0 238.312 2.044 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715282201 977723611 /nfs/dbraw/zinc/72/36/11/977723611.db2.gz HAJXBPYVXGNCAN-DOLQZWNJSA-N 0 0 247.285 2.121 10 0 BEAERN O=C([O-])[C@@H]1[C@H](C[NH2+]CCCC2CCC2)C1(F)F ZINC000715305743 977734851 /nfs/dbraw/zinc/73/48/51/977734851.db2.gz XTVVPRUFCSCQAM-UWVGGRQHSA-N 0 0 247.285 2.122 10 0 BEAERN O=C([O-])[C@H]1[C@@H](C[NH2+]CCCCC2CC2)C1(F)F ZINC000715328373 977743381 /nfs/dbraw/zinc/74/33/81/977743381.db2.gz SWANQUILOORIFX-NXEZZACHSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000715809904 977788433 /nfs/dbraw/zinc/78/84/33/977788433.db2.gz BVBDWQPKXLHXLW-HKUMRIAESA-N 0 0 237.343 2.219 10 0 BEAERN Cc1coc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000718058059 977937724 /nfs/dbraw/zinc/93/77/24/977937724.db2.gz HQFHCOXTNVBRQA-CMPLNLGQSA-N 0 0 237.299 2.131 10 0 BEAERN CC1(C)CC[NH+](Cc2cncc(C(=O)[O-])c2)CC1 ZINC000721545977 978118264 /nfs/dbraw/zinc/11/82/64/978118264.db2.gz KAUYMXHMZJJAOD-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN C/C(=C\C(=O)[O-])C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724684068 978234872 /nfs/dbraw/zinc/23/48/72/978234872.db2.gz IZLNIRLWWBOCMX-CSKARUKUSA-N 0 0 241.306 2.231 10 0 BEAERN CCC(F)(F)C[NH2+][C@H](C(=O)[O-])C(C)(C)C ZINC000829297891 978997347 /nfs/dbraw/zinc/99/73/47/978997347.db2.gz UGBDXYUDBBDGQK-SSDOTTSWSA-N 0 0 223.263 2.121 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cnccn2)C1 ZINC000044029389 1171347394 /nfs/dbraw/zinc/34/73/94/1171347394.db2.gz XCVRXRPXFKPWNA-SNVBAGLBSA-N 0 0 249.314 2.201 10 0 BEAERN Cc1ccc(F)cc1NC(=O)c1cc(N)ccn1 ZINC000050699476 1171826409 /nfs/dbraw/zinc/82/64/09/1171826409.db2.gz RPUKGKYWWAKZTK-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CNc1ncccc1C(=O)Nc1ccc(C)cn1 ZINC000050722644 1171835365 /nfs/dbraw/zinc/83/53/65/1171835365.db2.gz KUISNPKDDZAUTA-UHFFFAOYSA-N 0 0 242.282 2.079 10 0 BEAERN CNc1ncccc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000050728849 1171834530 /nfs/dbraw/zinc/83/45/30/1171834530.db2.gz XQQXXZWOODIBCC-PWSUYJOCSA-N 0 0 247.342 2.432 10 0 BEAERN CNc1ncccc1C(=O)NCC1CCCC1 ZINC000050749630 1171833667 /nfs/dbraw/zinc/83/36/67/1171833667.db2.gz QOWRMUGVSBWZPU-UHFFFAOYSA-N 0 0 233.315 2.043 10 0 BEAERN CNc1ncccc1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000050750002 1171837210 /nfs/dbraw/zinc/83/72/10/1171837210.db2.gz UJDIZONRFYEDPF-QWRGUYRKSA-N 0 0 247.342 2.432 10 0 BEAERN COC(=O)c1cc2cc(F)cc(F)c2[nH]1 ZINC000014984877 136208296 /nfs/dbraw/zinc/20/82/96/136208296.db2.gz ZMDWACYWJDIIJP-UHFFFAOYSA-N 0 0 211.167 2.233 10 0 BEAERN CNCC(F)(F)COC1CCCCC1 ZINC000685956746 538903898 /nfs/dbraw/zinc/90/38/98/538903898.db2.gz IPUJFPHRPFEEGE-UHFFFAOYSA-N 0 0 207.264 2.190 10 0 BEAERN CCOC(=O)C(F)(F)Cc1ccco1 ZINC000685957442 538904078 /nfs/dbraw/zinc/90/40/78/538904078.db2.gz YCBOCPPXYMWAJQ-UHFFFAOYSA-N 0 0 204.172 2.021 10 0 BEAERN CCC[C@@H](C)COCC(F)(F)CNC ZINC000685957196 538904410 /nfs/dbraw/zinc/90/44/10/538904410.db2.gz UMJWALYIABTOCX-SECBINFHSA-N 0 0 209.280 2.294 10 0 BEAERN CCC(C)(CC)NC(=O)c1ccc(O)cc1O ZINC000112827173 168310371 /nfs/dbraw/zinc/31/03/71/168310371.db2.gz XZDVWFPAQXFGFB-UHFFFAOYSA-N 0 0 237.299 2.406 10 0 BEAERN CCCNCC(F)(F)COC1CCC1 ZINC000685958117 538905526 /nfs/dbraw/zinc/90/55/26/538905526.db2.gz PEYFJEWRJMIACN-UHFFFAOYSA-N 0 0 207.264 2.190 10 0 BEAERN CC(C)CN1Cc2c(cccc2F)C1=O ZINC000685958264 538905541 /nfs/dbraw/zinc/90/55/41/538905541.db2.gz BUWQBCNFZQJUHY-UHFFFAOYSA-N 0 0 207.248 2.438 10 0 BEAERN CC(C)CN1Cc2ccc(F)cc2C1=O ZINC000685958346 538905891 /nfs/dbraw/zinc/90/58/91/538905891.db2.gz KYWMYEGLJRUIJY-UHFFFAOYSA-N 0 0 207.248 2.438 10 0 BEAERN Cc1cnc(C(Cl)(Cl)Cl)nc1N ZINC000685958625 538905895 /nfs/dbraw/zinc/90/58/95/538905895.db2.gz BNRDRCHFUPOWQU-UHFFFAOYSA-N 0 0 226.494 2.194 10 0 BEAERN CO[C@H](C)[C@@]1(C)CC(=O)NC12CCCCC2 ZINC000685958577 538906048 /nfs/dbraw/zinc/90/60/48/538906048.db2.gz AGCDHQJWKHZYNX-ZYHUDNBSSA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@@H](C)[C@]1(C)CC(=O)NC12CCOCC2 ZINC000685958798 538906333 /nfs/dbraw/zinc/90/63/33/538906333.db2.gz GQWHEQICPPLOMF-PWSUYJOCSA-N 0 0 225.332 2.108 10 0 BEAERN CC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000685958938 538906407 /nfs/dbraw/zinc/90/64/07/538906407.db2.gz GEYRYSQGSMGJFU-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN CCC[C@H](C)[C@@H]1CC(=O)NC12CCOCC2 ZINC000685958685 538906562 /nfs/dbraw/zinc/90/65/62/538906562.db2.gz DOSQTJLEWKIRID-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN CCC(CC)[C@H]1CC(=O)NC12CCOCC2 ZINC000685959548 538906705 /nfs/dbraw/zinc/90/67/05/538906705.db2.gz PKONNCLXKHIJLJ-LLVKDONJSA-N 0 0 225.332 2.108 10 0 BEAERN CCC(C)(C)[C@H]1CC(=O)NC12CCOCC2 ZINC000685959810 538907205 /nfs/dbraw/zinc/90/72/05/538907205.db2.gz SGSXLQFSLNGQLC-SNVBAGLBSA-N 0 0 225.332 2.108 10 0 BEAERN O=C1C[C@H]([C@H]2CCCO2)C2(CCCCC2)N1 ZINC000685959905 538907310 /nfs/dbraw/zinc/90/73/10/538907310.db2.gz VHHKPQDGBZSNKG-GHMZBOCLSA-N 0 0 223.316 2.004 10 0 BEAERN CC(C)C[C@@]1(C)CC(=O)NC12CCOCC2 ZINC000685960130 538907450 /nfs/dbraw/zinc/90/74/50/538907450.db2.gz ZYDWSFFOFWWQIB-LBPRGKRZSA-N 0 0 225.332 2.108 10 0 BEAERN CCc1ccc2c(c1)C[C@@H](O)[C@@H](C(F)F)N2 ZINC000685963705 538910605 /nfs/dbraw/zinc/91/06/05/538910605.db2.gz VXONGRGMKSSOQC-MNOVXSKESA-N 0 0 227.254 2.212 10 0 BEAERN CC(=O)CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000685961046 538907982 /nfs/dbraw/zinc/90/79/82/538907982.db2.gz AQSUULBIZDVIKW-UHFFFAOYSA-N 0 0 227.304 2.269 10 0 BEAERN CC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000685961807 538908487 /nfs/dbraw/zinc/90/84/87/538908487.db2.gz OLLWYUZVZVRNGN-QWRGUYRKSA-N 0 0 239.315 2.435 10 0 BEAERN O=c1ccnc2nc(C3CCCC3)[nH]cc1-2 ZINC000685961551 538908721 /nfs/dbraw/zinc/90/87/21/538908721.db2.gz SVOGQPRUNOHIPT-UHFFFAOYSA-N 0 0 215.256 2.423 10 0 BEAERN CCC(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961779 538908767 /nfs/dbraw/zinc/90/87/67/538908767.db2.gz OEOVKULEEQYUDF-BDAKNGLRSA-N 0 0 227.304 2.126 10 0 BEAERN COc1cccc2c1N[C@H](C(C)C)[C@@H](O)C2 ZINC000685962984 538909573 /nfs/dbraw/zinc/90/95/73/538909573.db2.gz CQXOVUCLLVOGGL-CMPLNLGQSA-N 0 0 221.300 2.049 10 0 BEAERN CCCc1nc2ccccc2cc1NN ZINC000685963050 538909616 /nfs/dbraw/zinc/90/96/16/538909616.db2.gz FOGQVNVNPHYOSI-UHFFFAOYSA-N 0 0 201.273 2.473 10 0 BEAERN CCc1nc2ccc(F)cc2cc1NN ZINC000685963034 538909776 /nfs/dbraw/zinc/90/97/76/538909776.db2.gz FFEMIFBGVDKBFX-UHFFFAOYSA-N 0 0 205.236 2.222 10 0 BEAERN CCc1nc2cccc(OC)c2cc1NN ZINC000685963003 538909869 /nfs/dbraw/zinc/90/98/69/538909869.db2.gz CYTHYYXUBNSYEX-UHFFFAOYSA-N 0 0 217.272 2.091 10 0 BEAERN CCc1cccc2cc(NN)c(C)nc21 ZINC000685963172 538910171 /nfs/dbraw/zinc/91/01/71/538910171.db2.gz IGRVIUJHHGGIAQ-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN Fc1cccc(-c2n[nH]c3c2COCC3)c1 ZINC000685952339 538896512 /nfs/dbraw/zinc/89/65/12/538896512.db2.gz GPWSZXXJQZIOJD-UHFFFAOYSA-N 0 0 218.231 2.289 10 0 BEAERN Fc1ccc(-c2n[nH]c3c2COCC3)cc1 ZINC000685952305 538896555 /nfs/dbraw/zinc/89/65/55/538896555.db2.gz FARNGILXCPWWFJ-UHFFFAOYSA-N 0 0 218.231 2.289 10 0 BEAERN CC[C@@H](C)c1n[nH]nc1C(=O)OC(C)(C)C ZINC000685953041 538896809 /nfs/dbraw/zinc/89/68/09/538896809.db2.gz IXSXQMJKGKRNJY-SSDOTTSWSA-N 0 0 225.292 2.274 10 0 BEAERN CCn1nc2c(c1N)C[C@@H](C(C)C)CC2 ZINC000685952831 538897049 /nfs/dbraw/zinc/89/70/49/538897049.db2.gz QLOWGSMDYORQTF-VIFPVBQESA-N 0 0 207.321 2.246 10 0 BEAERN C[C@H]1CCc2nn(C(C)(C)C)c(N)c2C1 ZINC000685953225 538897141 /nfs/dbraw/zinc/89/71/41/538897141.db2.gz UWAULWRKIFWVNG-QMMMGPOBSA-N 0 0 207.321 2.345 10 0 BEAERN c1ccc(Nc2nc3ccccn3n2)cc1 ZINC000066054961 398138195 /nfs/dbraw/zinc/13/81/95/398138195.db2.gz VWOFJVJNDKWBMO-UHFFFAOYSA-N 0 0 210.240 2.473 10 0 BEAERN Cc1cc(C)n([C@H](C)C(=O)Nc2ccccn2)n1 ZINC000124483741 177932224 /nfs/dbraw/zinc/93/22/24/177932224.db2.gz UKJGTXJOSSLNIY-LLVKDONJSA-N 0 0 244.298 2.095 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000408084399 136210286 /nfs/dbraw/zinc/21/02/86/136210286.db2.gz PGMNMFFSJZQZRD-UTUOFQBUSA-N 0 0 242.363 2.145 10 0 BEAERN Nc1cn(C[C@@H]2CCCC(F)(F)C2)cn1 ZINC000685964238 538911061 /nfs/dbraw/zinc/91/10/61/538911061.db2.gz UIQDEQZNJIIHSH-MRVPVSSYSA-N 0 0 215.247 2.291 10 0 BEAERN Nc1cn(CCSc2ccccc2)cn1 ZINC000685964267 538911238 /nfs/dbraw/zinc/91/12/38/538911238.db2.gz AIMQKZYWWJIOEW-UHFFFAOYSA-N 0 0 219.313 2.258 10 0 BEAERN C[C@H]1NC(=O)Oc2cn(C3CCCC3)nc21 ZINC000685965548 538911806 /nfs/dbraw/zinc/91/18/06/538911806.db2.gz JNURCRGQXGBBRJ-SSDOTTSWSA-N 0 0 221.260 2.161 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000161624613 538917036 /nfs/dbraw/zinc/91/70/36/538917036.db2.gz XAWSPQPYOCHXQJ-QWRGUYRKSA-N 0 0 249.314 2.031 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ccc(N)nc1 ZINC000616587998 349465625 /nfs/dbraw/zinc/46/56/25/349465625.db2.gz VWSVHXRYRBPFFY-CYBMUJFWSA-N 0 0 240.310 2.097 10 0 BEAERN CSCCC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000129874914 136211717 /nfs/dbraw/zinc/21/17/17/136211717.db2.gz ZLQLXRSFSDYQDJ-BDAKNGLRSA-N 0 0 201.335 2.044 10 0 BEAERN CC(=O)[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000616588133 349488197 /nfs/dbraw/zinc/48/81/97/349488197.db2.gz JDGLCBKIFBTTBP-LLVKDONJSA-N 0 0 217.268 2.116 10 0 BEAERN CCOC(=O)C(=O)c1ccc2c(c1)C[C@H](C)C2 ZINC000258192476 349492705 /nfs/dbraw/zinc/49/27/05/349492705.db2.gz NKCJFCYWRMWPTE-SECBINFHSA-N 0 0 232.279 2.167 10 0 BEAERN Cn1c(CN2CCCC(C)(C)C2)nnc1C1CC1 ZINC000112701574 398146679 /nfs/dbraw/zinc/14/66/79/398146679.db2.gz PAFVRBAQFCKOOK-UHFFFAOYSA-N 0 0 248.374 2.315 10 0 BEAERN CCCC[C@H](COC)NC(=O)CCCSC ZINC000128552077 349481218 /nfs/dbraw/zinc/48/12/18/349481218.db2.gz JJCHIWNNVUPVLD-LLVKDONJSA-N 0 0 247.404 2.451 10 0 BEAERN CCC(CC)([NH2+]CCc1ccccc1)C(=O)[O-] ZINC000041756290 168330675 /nfs/dbraw/zinc/33/06/75/168330675.db2.gz ZYOZJJRXMSVYHK-UHFFFAOYSA-N 0 0 235.327 2.462 10 0 BEAERN CCC(CC)(Nc1cccc(OC)c1)C(N)=O ZINC000037944696 168332856 /nfs/dbraw/zinc/33/28/56/168332856.db2.gz RDIAYUWOKNHLGZ-UHFFFAOYSA-N 0 0 236.315 2.151 10 0 BEAERN O=C([O-])[C@]1([NH+]2CCCCCC2)CCCSC1 ZINC000061575647 187322936 /nfs/dbraw/zinc/32/29/36/187322936.db2.gz GBKHNQSONHVBDT-LBPRGKRZSA-N 0 0 243.372 2.213 10 0 BEAERN CCC(CC)C(=O)N1CCCC[C@H](CO)C1 ZINC000378210873 168334706 /nfs/dbraw/zinc/33/47/06/168334706.db2.gz ZMZATOBYOSVUMC-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN Cc1cc(CNc2cccc(N)c2C)on1 ZINC000062725206 178042867 /nfs/dbraw/zinc/04/28/67/178042867.db2.gz LRSFJGQLAXQAFT-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2ccc(F)cc2N)no1 ZINC000044690663 178043775 /nfs/dbraw/zinc/04/37/75/178043775.db2.gz VVXWTJOLYMKEKL-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cn1nc([C@@H]2CCCC2(F)F)[nH]c1=S ZINC000306698876 398176478 /nfs/dbraw/zinc/17/64/78/398176478.db2.gz CXWFJOXDDFEFTA-YFKPBYRVSA-N 0 0 219.260 2.007 10 0 BEAERN Cc1cc(CNc2cn[nH]c2)ccc1F ZINC000050545050 178044228 /nfs/dbraw/zinc/04/42/28/178044228.db2.gz CQGUYNBCFSFJLD-UHFFFAOYSA-N 0 0 205.236 2.469 10 0 BEAERN O[C@H](Cc1nccs1)[C@H]1CCCSC1 ZINC000307400513 398160928 /nfs/dbraw/zinc/16/09/28/398160928.db2.gz AGBVUHFYMRQEDE-DTWKUNHWSA-N 0 0 229.370 2.190 10 0 BEAERN Cc1ccc(NCC2OCCO2)c(C)c1 ZINC000307402559 398163618 /nfs/dbraw/zinc/16/36/18/398163618.db2.gz BTIILYKCCYMMFV-UHFFFAOYSA-N 0 0 207.273 2.088 10 0 BEAERN CC(C)[C@H]1C(=O)N[C@H]1c1ncc(Cl)s1 ZINC000307430531 398164370 /nfs/dbraw/zinc/16/43/70/398164370.db2.gz WIDUCCPZKWXGOY-RNFRBKRXSA-N 0 0 230.720 2.240 10 0 BEAERN Cc1cc(Cl)ccc1N1C(=O)C=CC1=O ZINC000017083479 178067731 /nfs/dbraw/zinc/06/77/31/178067731.db2.gz UZZHSOJCWGJANC-UHFFFAOYSA-N 0 0 221.643 2.078 10 0 BEAERN Cc1cc(Cl)ccc1N1CCC(=O)C1 ZINC000077303720 178067814 /nfs/dbraw/zinc/06/78/14/178067814.db2.gz RGVYEXYKCJCSFX-UHFFFAOYSA-N 0 0 209.676 2.428 10 0 BEAERN Cc1cc(Cl)ccc1N1CC[C@@H](CO)C1 ZINC000011892891 178068035 /nfs/dbraw/zinc/06/80/35/178068035.db2.gz VLRSWNNWSCRJPG-SNVBAGLBSA-N 0 0 225.719 2.467 10 0 BEAERN Cc1cc(Cl)n(C[C@H](O)C(C)(C)C)n1 ZINC000000159836 178071118 /nfs/dbraw/zinc/07/11/18/178071118.db2.gz KVKMLCOOTHLZHI-QMMMGPOBSA-N 0 0 216.712 2.252 10 0 BEAERN CC[C@@H](C)c1nc2sc(C)nn2c1C=O ZINC000232281348 398166421 /nfs/dbraw/zinc/16/64/21/398166421.db2.gz HVXVPQMITZMBQS-ZCFIWIBFSA-N 0 0 223.301 2.425 10 0 BEAERN C[C@@H]1Cc2c(nc3scnn23)[C@@H](C)C1 ZINC000232280673 398166559 /nfs/dbraw/zinc/16/65/59/398166559.db2.gz YJJDZWXUJQULCO-BQBZGAKWSA-N 0 0 207.302 2.477 10 0 BEAERN Cc1cc(F)c(F)cc1C(=O)n1ccnc1 ZINC000000051987 178075707 /nfs/dbraw/zinc/07/57/07/178075707.db2.gz GAEQGAKWHCUIGP-UHFFFAOYSA-N 0 0 222.194 2.158 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000135574211 178084093 /nfs/dbraw/zinc/08/40/93/178084093.db2.gz GJIIMRHLPZCKFO-BXKDBHETSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1cc(F)ccc1NCC(=O)NCC(C)C ZINC000020054495 178090182 /nfs/dbraw/zinc/09/01/82/178090182.db2.gz KEZVFCMPLAOUSQ-UHFFFAOYSA-N 0 0 238.306 2.318 10 0 BEAERN Cc1cc(F)ccc1N[C@@H]1CCC[C@@H]1O ZINC000037689942 178091320 /nfs/dbraw/zinc/09/13/20/178091320.db2.gz IAHNCZJUMBSEGT-NEPJUHHUSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1cc(N(C)C)ccc1NCc1cncnc1 ZINC000054767335 178095519 /nfs/dbraw/zinc/09/55/19/178095519.db2.gz HYWZKKSVJCKNPD-UHFFFAOYSA-N 0 0 242.326 2.463 10 0 BEAERN Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ncn1 ZINC000301334560 178099995 /nfs/dbraw/zinc/09/99/95/178099995.db2.gz FVTKYTKFAJRFLG-CYZMBNFOSA-N 0 0 247.342 2.035 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000022143151 178104865 /nfs/dbraw/zinc/10/48/65/178104865.db2.gz ALYWWYKQIUHDID-GMSGAONNSA-N 0 0 204.273 2.172 10 0 BEAERN Cc1cc(N)ccc1NC(=O)c1cscn1 ZINC000062353268 178105374 /nfs/dbraw/zinc/10/53/74/178105374.db2.gz WLAIAKSJIODJFO-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1cc(N)ccc1C(=O)NCC1CCC1 ZINC000044748317 178105882 /nfs/dbraw/zinc/10/58/82/178105882.db2.gz XTNMSCPIUSJLRT-UHFFFAOYSA-N 0 0 218.300 2.107 10 0 BEAERN Cc1cc(N)ccc1NC(=O)NC(C)(C)C ZINC000020256227 178105891 /nfs/dbraw/zinc/10/58/91/178105891.db2.gz LONSUFUPZFDNCT-UHFFFAOYSA-N 0 0 221.304 2.497 10 0 BEAERN Cc1cc(N)ccc1N(C)C[C@H]1CCCO1 ZINC000058681466 178106132 /nfs/dbraw/zinc/10/61/32/178106132.db2.gz PKPNCRYEJKLLMR-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1SCC(=O)NC(C)C ZINC000037193907 178106407 /nfs/dbraw/zinc/10/64/07/178106407.db2.gz HKVMLXKSAJCUAF-UHFFFAOYSA-N 0 0 238.356 2.194 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nccn(CC(C)C)c1=O ZINC000091729580 398202674 /nfs/dbraw/zinc/20/26/74/398202674.db2.gz CWQPDBJOGXWYRO-RYUDHWBXSA-N 0 0 249.358 2.500 10 0 BEAERN Cc1cc(NC(=O)CCC(C)C)ncc1N ZINC000041040558 178126883 /nfs/dbraw/zinc/12/68/83/178126883.db2.gz ZRMKRGXLQCZQMZ-UHFFFAOYSA-N 0 0 221.304 2.347 10 0 BEAERN COC[C@@H](C)C(=O)N1c2ccccc2OC[C@@H]1C ZINC000175373158 365547367 /nfs/dbraw/zinc/54/73/67/365547367.db2.gz MQEDAXKZUCJZGB-MNOVXSKESA-N 0 0 249.310 2.083 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cncnc1 ZINC000616622744 398206779 /nfs/dbraw/zinc/20/67/79/398206779.db2.gz QFPAQAAPORBNFZ-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN COC(=O)N1CCC(c2ccc(CO)cc2)CC1 ZINC000616621968 398207122 /nfs/dbraw/zinc/20/71/22/398207122.db2.gz ZWFNFPQBOXNPQY-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ccon1 ZINC000616622146 398207284 /nfs/dbraw/zinc/20/72/84/398207284.db2.gz LGNHRCZOLXNDAZ-SNVBAGLBSA-N 0 0 224.260 2.358 10 0 BEAERN O=C(c1ccns1)C1(O)CCCCCC1 ZINC000306590078 398214826 /nfs/dbraw/zinc/21/48/26/398214826.db2.gz XNCMHOZJIGRRPV-UHFFFAOYSA-N 0 0 225.313 2.411 10 0 BEAERN Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)n[nH]1 ZINC000049399797 178149221 /nfs/dbraw/zinc/14/92/21/178149221.db2.gz JXIAJCFKNASSEL-BDAKNGLRSA-N 0 0 231.255 2.053 10 0 BEAERN Cc1cc(NCC2(CO)CC2)nc(C(C)C)n1 ZINC000118907758 178156612 /nfs/dbraw/zinc/15/66/12/178156612.db2.gz LXWPPBJLTXTKSD-UHFFFAOYSA-N 0 0 235.331 2.093 10 0 BEAERN Cc1cc(NCCOCC(C)C)nnc1C ZINC000302822848 178162157 /nfs/dbraw/zinc/16/21/57/178162157.db2.gz TXEDHQVJLCTAIJ-UHFFFAOYSA-N 0 0 223.320 2.178 10 0 BEAERN Cc1cc(NC[C@@H]2CCCOC2)nc(Cl)n1 ZINC000052814908 178167426 /nfs/dbraw/zinc/16/74/26/178167426.db2.gz ZXOAFFONBQUBAM-VIFPVBQESA-N 0 0 241.722 2.277 10 0 BEAERN CCC(CC)CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000120715914 168346651 /nfs/dbraw/zinc/34/66/51/168346651.db2.gz FEMODGGYWYNAQH-ZYHUDNBSSA-N 0 0 227.348 2.496 10 0 BEAERN CCC(CC)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000120701151 168346868 /nfs/dbraw/zinc/34/68/68/168346868.db2.gz RQAVQUBFQLRHMD-UHFFFAOYSA-N 0 0 228.380 2.269 10 0 BEAERN Cc1cc(NCc2ccccn2)sn1 ZINC000015042023 178173384 /nfs/dbraw/zinc/17/33/84/178173384.db2.gz RXUIEDCFXIRKSI-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN Cc1c(/C=C/Br)cnn1C ZINC000606275914 538930167 /nfs/dbraw/zinc/93/01/67/538930167.db2.gz NGBGQVIYTGRHHT-ONEGZZNKSA-N 0 0 201.067 2.094 10 0 BEAERN CCn1ccnc1/C=C/Br ZINC000606276039 538930300 /nfs/dbraw/zinc/93/03/00/538930300.db2.gz SKMFYPSLXZMRIJ-ONEGZZNKSA-N 0 0 201.067 2.269 10 0 BEAERN Cc1cc(NN)c2ccc(F)c(F)c2n1 ZINC000051170273 178177026 /nfs/dbraw/zinc/17/70/26/178177026.db2.gz ZGXMBZWUIVJACH-UHFFFAOYSA-N 0 0 209.199 2.107 10 0 BEAERN CC1CC(C(=O)N[C@H]2CCc3cc(N)ccc32)C1 ZINC000584242658 398222279 /nfs/dbraw/zinc/22/22/79/398222279.db2.gz BLPHVSHCXZTMOQ-IUVQJJGASA-N 0 0 244.338 2.418 10 0 BEAERN CC(C)=CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160634021 136222146 /nfs/dbraw/zinc/22/21/46/136222146.db2.gz LCYSTJPSDCSDAN-TZMCWYRMSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1cc(N[C@H]2CC[C@H](O)CC2)nc(Cl)n1 ZINC000100250392 178183398 /nfs/dbraw/zinc/18/33/98/178183398.db2.gz UVQFGCWMAPAHJM-DTORHVGOSA-N 0 0 241.722 2.154 10 0 BEAERN Cc1cc(N[C@H](C)Cn2ccnc2)ccc1N ZINC000049234763 178185934 /nfs/dbraw/zinc/18/59/34/178185934.db2.gz FGHQUZZPCNJGCE-LLVKDONJSA-N 0 0 230.315 2.274 10 0 BEAERN Cc1cc(N[C@H](C)[C@@H]2CCCO2)nnc1C ZINC000110101581 178186596 /nfs/dbraw/zinc/18/65/96/178186596.db2.gz GLWPPILQVGZIHR-MNOVXSKESA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(O)c(Cc2ccccn2)cc1O ZINC000039097606 178197796 /nfs/dbraw/zinc/19/77/96/178197796.db2.gz ZRELYMBFPCYQLA-UHFFFAOYSA-N 0 0 215.252 2.392 10 0 BEAERN Cc1cc(Oc2cc(N)ccc2C)ncn1 ZINC000040727490 178214907 /nfs/dbraw/zinc/21/49/07/178214907.db2.gz JAFZULZUVMNBEN-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Nc1nsc(-c2ccc(F)cc2F)n1 ZINC000070839787 361781360 /nfs/dbraw/zinc/78/13/60/361781360.db2.gz IUBRBPNZVUZOPE-UHFFFAOYSA-N 0 0 213.212 2.066 10 0 BEAERN Cc1cc(=S)n2nc(-c3ccccc3)nc2[nH]1 ZINC000057341099 178218169 /nfs/dbraw/zinc/21/81/69/178218169.db2.gz VTRDSJIJZWCXMW-UHFFFAOYSA-N 0 0 242.307 2.388 10 0 BEAERN Cc1cc(Sc2nnnn2C2CC2)ccc1N ZINC000035278588 178219707 /nfs/dbraw/zinc/21/97/07/178219707.db2.gz ZTWQPYHAWOWQBI-UHFFFAOYSA-N 0 0 247.327 2.050 10 0 BEAERN COCc1nc(CNCC=C(C)C)cs1 ZINC000276646176 538932922 /nfs/dbraw/zinc/93/29/22/538932922.db2.gz SABFXXFTMCKIHC-UHFFFAOYSA-N 0 0 226.345 2.345 10 0 BEAERN Cc1cc([C@@H](C)[NH2+]CC(=O)[O-])c(C)s1 ZINC000036722756 178223425 /nfs/dbraw/zinc/22/34/25/178223425.db2.gz OSQUSAVFLAEFTK-SSDOTTSWSA-N 0 0 213.302 2.100 10 0 BEAERN Cc1ccccc1Cc1nc(N)ns1 ZINC000070839732 361781164 /nfs/dbraw/zinc/78/11/64/361781164.db2.gz NGPREMFNDPNENZ-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN CC[C@H](Nc1nnc(C)c(C)n1)C(C)C ZINC000164487260 361761665 /nfs/dbraw/zinc/76/16/65/361761665.db2.gz WDYVPYXWHFNBCB-JTQLQIEISA-N 0 0 208.309 2.335 10 0 BEAERN Cc1ccsc1-c1ncc(C)c(N)n1 ZINC000306642382 361762580 /nfs/dbraw/zinc/76/25/80/361762580.db2.gz STHJKKAXPLMSQJ-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cc([C@@H](O)C2CCCCC2)nn1C ZINC000300840494 178237382 /nfs/dbraw/zinc/23/73/82/178237382.db2.gz GNNATIGXOPMSMX-LBPRGKRZSA-N 0 0 208.305 2.342 10 0 BEAERN Cc1cc([C@@H](N)c2cscn2)c(C)o1 ZINC000062356839 178238187 /nfs/dbraw/zinc/23/81/87/178238187.db2.gz PQRFHZVIUOCFOU-SNVBAGLBSA-N 0 0 208.286 2.401 10 0 BEAERN Cc1cc([C@@H]2NC(=O)[C@@H]3CCCCN23)ccc1F ZINC000078758841 178242657 /nfs/dbraw/zinc/24/26/57/178242657.db2.gz SFIBQNFYUCJNRB-QWHCGFSZSA-N 0 0 248.301 2.117 10 0 BEAERN Cc1cc([C@H](C(=O)[O-])[NH+]2CCCC2)ccc1F ZINC000041278277 178243958 /nfs/dbraw/zinc/24/39/58/178243958.db2.gz AIKIBIUPOHHFQE-GFCCVEGCSA-N 0 0 237.274 2.356 10 0 BEAERN O[C@@H](C[C@H]1CO1)c1ccc(Br)cc1 ZINC000616568724 538938080 /nfs/dbraw/zinc/93/80/80/538938080.db2.gz CTKAYPZETSVGEV-UWVGGRQHSA-N 0 0 243.100 2.271 10 0 BEAERN Cc1n[nH]cc1CNC(=O)C[C@H](C)C(C)(C)C ZINC000111617654 398240037 /nfs/dbraw/zinc/24/00/37/398240037.db2.gz WFVBGZYBPUFRKO-VIFPVBQESA-N 0 0 237.347 2.407 10 0 BEAERN Cc1cc2c(N[C@H](C)C(C)C)nccn2n1 ZINC000156936877 178280995 /nfs/dbraw/zinc/28/09/95/178280995.db2.gz QFQRZVODRRSYLS-SNVBAGLBSA-N 0 0 218.304 2.494 10 0 BEAERN C[C@@H]1CSC[C@]1(O)c1ccc(F)cc1 ZINC000306738142 488175837 /nfs/dbraw/zinc/17/58/37/488175837.db2.gz AGEYAVXNDVKWPU-LDYMZIIASA-N 0 0 212.289 2.396 10 0 BEAERN Cc1cc2c(cc1Cl)C[C@@H](CO)CN2 ZINC000011985042 178288991 /nfs/dbraw/zinc/28/89/91/178288991.db2.gz NDDYOZHQWAUIGZ-MRVPVSSYSA-N 0 0 211.692 2.225 10 0 BEAERN Cc1cc2c(cc1Cl)C[C@H](CO)CN2 ZINC000011985040 178289073 /nfs/dbraw/zinc/28/90/73/178289073.db2.gz NDDYOZHQWAUIGZ-QMMMGPOBSA-N 0 0 211.692 2.225 10 0 BEAERN Cc1cc2nc(Cl)nc(N)c2cc1C ZINC000015441976 178302057 /nfs/dbraw/zinc/30/20/57/178302057.db2.gz LBMRLXOTDIRNJN-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN Cc1cc2cc(Cl)ccc2[nH]c1=NN ZINC000011633999 178295538 /nfs/dbraw/zinc/29/55/38/178295538.db2.gz YBPHPQDJAZUACN-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN Cc1cc2oc(-c3ccccc3)cc(=O)n2n1 ZINC000034784919 178307681 /nfs/dbraw/zinc/30/76/81/178307681.db2.gz JJCPIUXADDLDQI-UHFFFAOYSA-N 0 0 226.235 2.263 10 0 BEAERN Cc1ccc(-c2cc(CCCO)[nH]n2)cc1 ZINC000095910873 178320707 /nfs/dbraw/zinc/32/07/07/178320707.db2.gz VEOBEPWURRYHFE-UHFFFAOYSA-N 0 0 216.284 2.310 10 0 BEAERN Cc1ccc(-c2cc(Cl)nc(N)n2)o1 ZINC000114866482 178321272 /nfs/dbraw/zinc/32/12/72/178321272.db2.gz NXGRAJOTTPLUCP-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN CCC(CC)N(C)C(=O)c1sc(N)nc1C ZINC000055171567 168367483 /nfs/dbraw/zinc/36/74/83/168367483.db2.gz MDQFBLYQJRKTQA-UHFFFAOYSA-N 0 0 241.360 2.294 10 0 BEAERN Cc1ccc(-c2nc(CNC(C)C)no2)o1 ZINC000051861053 178336090 /nfs/dbraw/zinc/33/60/90/178336090.db2.gz AYBUZODLFYCNFX-UHFFFAOYSA-N 0 0 221.260 2.136 10 0 BEAERN Cc1ccc(-c2nc[nH]c(=O)c2C)cc1 ZINC000079067367 178338602 /nfs/dbraw/zinc/33/86/02/178338602.db2.gz IZLAAKSMDIJEAS-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN Cc1ccc(-c2nn(C)c(=S)n2C)cc1 ZINC000028249359 178339943 /nfs/dbraw/zinc/33/99/43/178339943.db2.gz OSNHQZJZXCNZDN-UHFFFAOYSA-N 0 0 219.313 2.464 10 0 BEAERN Cc1ccc(-c2nnc([C@H](C)N)o2)s1 ZINC000050284187 178340759 /nfs/dbraw/zinc/34/07/59/178340759.db2.gz WFPWYVPGOZYNEN-LURJTMIESA-N 0 0 209.274 2.126 10 0 BEAERN Cc1ccc(-n2c3ncccc3[nH]c2=O)c(C)c1 ZINC000169316513 178345205 /nfs/dbraw/zinc/34/52/05/178345205.db2.gz YBXJABFVQNKIKL-UHFFFAOYSA-N 0 0 239.278 2.331 10 0 BEAERN Cc1ccc(-n2cc(N)cn2)cc1Cl ZINC000035728317 178346083 /nfs/dbraw/zinc/34/60/83/178346083.db2.gz NBHVZGJBJXITRQ-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1c(N)cnn1-c1ccc(C)cc1C ZINC000048218376 178349247 /nfs/dbraw/zinc/34/92/47/178349247.db2.gz LKVIRGABVLXLGA-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1ccc(-c2cnc(CN)o2)c(C)c1 ZINC000036157418 178329078 /nfs/dbraw/zinc/32/90/78/178329078.db2.gz GCWQDOAGCWEIAC-UHFFFAOYSA-N 0 0 202.257 2.417 10 0 BEAERN CCC(CC)N(C)c1ncnc(Cl)c1N ZINC000062362814 168369489 /nfs/dbraw/zinc/36/94/89/168369489.db2.gz YGQUCYJVWPVXKC-UHFFFAOYSA-N 0 0 228.727 2.337 10 0 BEAERN CCC(CC)[N@H+](CCCCC(=O)[O-])CCOC ZINC000042680294 168371849 /nfs/dbraw/zinc/37/18/49/168371849.db2.gz KAMPQMJWMRDLHT-UHFFFAOYSA-N 0 0 245.363 2.378 10 0 BEAERN CC(F)(F)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378739738 346819926 /nfs/dbraw/zinc/81/99/26/346819926.db2.gz IJTDAFAOPXYDJI-YIZRAAEISA-N 0 0 219.275 2.045 10 0 BEAERN Cc1ccc(C(=O)N(CCO)C2CCCC2)cc1 ZINC000042512783 178382473 /nfs/dbraw/zinc/38/24/73/178382473.db2.gz IPMBAXNSDVOTOL-UHFFFAOYSA-N 0 0 247.338 2.372 10 0 BEAERN CCC(CC)N(CCO)c1ccccc1C=O ZINC000042510066 168373679 /nfs/dbraw/zinc/37/36/79/168373679.db2.gz IKVIELBUEKXYOB-UHFFFAOYSA-N 0 0 235.327 2.486 10 0 BEAERN CCC(CC)N(CCO)C(=O)c1ccccc1 ZINC000042506331 168373877 /nfs/dbraw/zinc/37/38/77/168373877.db2.gz WBLFBULXYZWSMA-UHFFFAOYSA-N 0 0 235.327 2.310 10 0 BEAERN COc1cccc2c1CC[C@H](O)C2(C)C ZINC000259137109 349560539 /nfs/dbraw/zinc/56/05/39/349560539.db2.gz GHXSQTAUHWEGRC-LBPRGKRZSA-N 0 0 206.285 2.280 10 0 BEAERN Cc1ccc(C(=O)CN2CCO[C@@H](C)C2)cc1C ZINC000037332729 178372996 /nfs/dbraw/zinc/37/29/96/178372996.db2.gz SSCMGTJDJMGEGB-ZDUSSCGKSA-N 0 0 247.338 2.207 10 0 BEAERN CCOC(=O)C(F)(F)COCc1ccccc1 ZINC000034425736 538954072 /nfs/dbraw/zinc/95/40/72/538954072.db2.gz QVIYINAPYRBYPB-UHFFFAOYSA-N 0 0 244.237 2.402 10 0 BEAERN CCC(CC)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000179245174 538954878 /nfs/dbraw/zinc/95/48/78/538954878.db2.gz CTSBRWLVPDFCNL-STQMWFEESA-N 0 0 241.375 2.480 10 0 BEAERN Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)c(C)c1 ZINC000089160114 178415413 /nfs/dbraw/zinc/41/54/13/178415413.db2.gz JKKIWFTUAVNGDF-TZMCWYRMSA-N 0 0 247.338 2.194 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)Nc2ccon2)o1 ZINC000180492941 538958627 /nfs/dbraw/zinc/95/86/27/538958627.db2.gz UQXDAQCVULYKLK-QMMMGPOBSA-N 0 0 235.243 2.459 10 0 BEAERN CC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000405769795 538961246 /nfs/dbraw/zinc/96/12/46/538961246.db2.gz QPQIQSLMMHJWGA-QMMMGPOBSA-N 0 0 227.304 2.363 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccoc1 ZINC000405558377 538960466 /nfs/dbraw/zinc/96/04/66/538960466.db2.gz CTHXXYLFKIYSNC-MRVPVSSYSA-N 0 0 239.271 2.376 10 0 BEAERN CC(C)(C)OC(=O)NCCC(=O)CC1CC1 ZINC000405733829 538960806 /nfs/dbraw/zinc/96/08/06/538960806.db2.gz VJHZPASUANRJSX-UHFFFAOYSA-N 0 0 227.304 2.270 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ccnnc1 ZINC000616613253 349608327 /nfs/dbraw/zinc/60/83/27/349608327.db2.gz RPAQKHLKENNFBF-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN CC(C)(C)OC(=O)NCCC(=O)c1ccco1 ZINC000405721377 538961027 /nfs/dbraw/zinc/96/10/27/538961027.db2.gz PISATKCTUVKKIU-UHFFFAOYSA-N 0 0 239.271 2.377 10 0 BEAERN CC(=O)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406056955 538962704 /nfs/dbraw/zinc/96/27/04/538962704.db2.gz YJTLWHISVMGDIT-NXEZZACHSA-N 0 0 225.288 2.045 10 0 BEAERN CCn1cc(N)c(=O)c2cc(F)c(Cl)cc21 ZINC000137922641 342692197 /nfs/dbraw/zinc/69/21/97/342692197.db2.gz QBOBQALKOBBKJX-UHFFFAOYSA-N 0 0 240.665 2.396 10 0 BEAERN CC(=O)C1=C(O)CC[C@H](c2cccnc2)C1 ZINC000144023915 342695160 /nfs/dbraw/zinc/69/51/60/342695160.db2.gz YHMBTWNQVFIUHF-CMPLNLGQSA-N 0 0 217.268 2.123 10 0 BEAERN COC(=O)c1cc(Cl)c(C)cc1OC ZINC000082722440 398278757 /nfs/dbraw/zinc/27/87/57/398278757.db2.gz KOFRTSYEAYDCEO-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CCOC(=O)C[C@@H]1CCc2cc(O)ccc2C1 ZINC000144139623 342702463 /nfs/dbraw/zinc/70/24/63/342702463.db2.gz HKOJAUZVTOHJFI-SNVBAGLBSA-N 0 0 234.295 2.450 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181946217 538961483 /nfs/dbraw/zinc/96/14/83/538961483.db2.gz SQUICFVWMXPAAK-HQJQHLMTSA-N 0 0 232.258 2.445 10 0 BEAERN O=C(CF)Nc1ccc(Br)cc1 ZINC000002040770 342715112 /nfs/dbraw/zinc/71/51/12/342715112.db2.gz ACCDBHBOYZJSDT-UHFFFAOYSA-N 0 0 232.052 2.357 10 0 BEAERN CCOc1cc([C@@H](O)c2ccccn2)ccc1O ZINC000144474327 342743189 /nfs/dbraw/zinc/74/31/89/342743189.db2.gz KDADFIOXVUBMND-CQSZACIVSA-N 0 0 245.278 2.268 10 0 BEAERN CN1Cn2cc(CO)cc2-c2ccccc21 ZINC000144635242 342748299 /nfs/dbraw/zinc/74/82/99/342748299.db2.gz GMMKJGAGXFEBDN-UHFFFAOYSA-N 0 0 214.268 2.055 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1ccncc1 ZINC000043067628 342749056 /nfs/dbraw/zinc/74/90/56/342749056.db2.gz NDZMFRNNEQNXLA-LLVKDONJSA-N 0 0 235.331 2.268 10 0 BEAERN CCC(CC)NC(=O)c1cc(N)ccc1F ZINC000035651235 168385382 /nfs/dbraw/zinc/38/53/82/168385382.db2.gz UBNVEEZTXSYFHE-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN Cc1cc(C)cc(Cn2ccc(N)n2)c1 ZINC000038076812 538964529 /nfs/dbraw/zinc/96/45/29/538964529.db2.gz WGSKUOMIFAXRFZ-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN CO[C@H](c1nc(N)cs1)C(C)(C)C ZINC000158965249 346860243 /nfs/dbraw/zinc/86/02/43/346860243.db2.gz HLIVNWMLZVUODI-SSDOTTSWSA-N 0 0 200.307 2.459 10 0 BEAERN COc1cccc2c1NCn1cc(CO)cc1-2 ZINC000144431364 342737341 /nfs/dbraw/zinc/73/73/41/342737341.db2.gz PWQDTSPVCFWNLQ-UHFFFAOYSA-N 0 0 230.267 2.039 10 0 BEAERN COc1ccc([C@H](CO)C(F)(F)F)cc1 ZINC000144785908 342750045 /nfs/dbraw/zinc/75/00/45/342750045.db2.gz JREGTWWEHSEVQW-VIFPVBQESA-N 0 0 220.190 2.333 10 0 BEAERN Cc1ccc2c(c1)N(Cc1c[nH]cn1)CCO2 ZINC000144887693 342754099 /nfs/dbraw/zinc/75/40/99/342754099.db2.gz XWSBQZPEDIVINQ-UHFFFAOYSA-N 0 0 229.283 2.117 10 0 BEAERN COc1ccc2c(c1)C1=C(CC2)NC(=O)CC1 ZINC000144861372 342754213 /nfs/dbraw/zinc/75/42/13/342754213.db2.gz IOADWWSKUVCCHN-UHFFFAOYSA-N 0 0 229.279 2.263 10 0 BEAERN C[C@@H](Nc1ccc(N)cn1)c1ccccn1 ZINC000035694718 342756335 /nfs/dbraw/zinc/75/63/35/342756335.db2.gz KSFVCYOYNCBRSZ-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](Nc1ccc(Cl)nn1)[C@@H]1CCCO1 ZINC000035735347 342757653 /nfs/dbraw/zinc/75/76/53/342757653.db2.gz XGXOFRQUMDLCEZ-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@@H](NC1N=NC(=S)S1)C1CC1 ZINC000035733895 342757676 /nfs/dbraw/zinc/75/76/76/342757676.db2.gz BHZJLNSEWUACNT-SCSAIBSYSA-N 0 0 201.320 2.037 10 0 BEAERN C[C@H]1CC(=O)c2cccc(Cl)c2S1(=O)=O ZINC000035741366 342757922 /nfs/dbraw/zinc/75/79/22/342757922.db2.gz BGFNDAYROIAHSV-LURJTMIESA-N 0 0 244.699 2.089 10 0 BEAERN CC(C)C(=O)O[C@@H]([C@@H](C)CO)C(C)(C)C ZINC000005359003 342762494 /nfs/dbraw/zinc/76/24/94/342762494.db2.gz YXISVHDWGVMPGJ-UWVGGRQHSA-N 0 0 216.321 2.229 10 0 BEAERN CC(=O)Nc1ccc(CC[C@@H](O)C2CC2)cc1 ZINC000146164616 342767151 /nfs/dbraw/zinc/76/71/51/342767151.db2.gz PJMMBNXVWURVRK-CQSZACIVSA-N 0 0 233.311 2.349 10 0 BEAERN CCOC(=O)[C@](Cl)(C(C)=O)c1ccccc1 ZINC000146192902 342767529 /nfs/dbraw/zinc/76/75/29/342767529.db2.gz ADJQFAURESSBAJ-LBPRGKRZSA-N 0 0 240.686 2.273 10 0 BEAERN CCc1cc(NCc2cccnc2)c(=O)[nH]c1C ZINC000005847505 342770695 /nfs/dbraw/zinc/77/06/95/342770695.db2.gz PNCQHPWMBIIGAP-UHFFFAOYSA-N 0 0 243.310 2.253 10 0 BEAERN CC(=O)Cc1cc(N)c(F)cc1Br ZINC000147027955 342774397 /nfs/dbraw/zinc/77/43/97/342774397.db2.gz WJNORKXYLIADGX-UHFFFAOYSA-N 0 0 246.079 2.302 10 0 BEAERN O=[N+]([O-])c1cc(N2CCOCC2)ccc1Cl ZINC000147500989 342776935 /nfs/dbraw/zinc/77/69/35/342776935.db2.gz QLMARGYNEQASGA-UHFFFAOYSA-N 0 0 242.662 2.085 10 0 BEAERN CC(=O)O[C@H]1CCC[C@@H](O[C@@H]2CCCCO2)C1 ZINC000035898550 342801123 /nfs/dbraw/zinc/80/11/23/342801123.db2.gz UWTJJQNJGJBMIT-YNEHKIRRSA-N 0 0 242.315 2.404 10 0 BEAERN CNc1cc(OCc2ccccc2)nc(C)n1 ZINC000157527435 342795957 /nfs/dbraw/zinc/79/59/57/342795957.db2.gz CVHYUDHZGPQSRP-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN CCNc1cc(OCc2ccccc2)ncn1 ZINC000157528686 342795966 /nfs/dbraw/zinc/79/59/66/342795966.db2.gz ILXDHHLERUYYRT-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN Nc1cccc2c(NCC(F)(F)F)ncnc12 ZINC000150230247 342798853 /nfs/dbraw/zinc/79/88/53/342798853.db2.gz NNXPTGRVVBMKEP-UHFFFAOYSA-N 0 0 242.204 2.186 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(-c3cccnc3)no2)O1 ZINC000350453418 342814355 /nfs/dbraw/zinc/81/43/55/342814355.db2.gz IZUUKPADLLJDGM-WPRPVWTQSA-N 0 0 231.255 2.372 10 0 BEAERN CCOP(=O)(CC(=O)C(C)C)OCC ZINC000036467569 342824364 /nfs/dbraw/zinc/82/43/64/342824364.db2.gz NQQHQWSRTXRJHH-UHFFFAOYSA-N 0 0 222.221 2.478 10 0 BEAERN OCCCc1ccc2ccccc2c1O ZINC000036372961 342824650 /nfs/dbraw/zinc/82/46/50/342824650.db2.gz GSXJUVWDBAJZON-UHFFFAOYSA-N 0 0 202.253 2.470 10 0 BEAERN CCC(CC)OC(=O)[C@@H](C)[C@H](O)CC ZINC000014491109 168395336 /nfs/dbraw/zinc/39/53/36/168395336.db2.gz JZOCRUBSQNZLIW-WCBMZHEXSA-N 0 0 202.294 2.125 10 0 BEAERN Cc1ncsc1[C@H](NN)C1CCCC1 ZINC000127069152 342829082 /nfs/dbraw/zinc/82/90/82/342829082.db2.gz VPOBKPKYUNIRRZ-SECBINFHSA-N 0 0 211.334 2.146 10 0 BEAERN Cc1ncsc1[C@@H](NN)C1CCCC1 ZINC000127069387 342829122 /nfs/dbraw/zinc/82/91/22/342829122.db2.gz VPOBKPKYUNIRRZ-VIFPVBQESA-N 0 0 211.334 2.146 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000190681758 538990456 /nfs/dbraw/zinc/99/04/56/538990456.db2.gz URJZPFCRJXCIQQ-YPMHNXCESA-N 0 0 239.359 2.450 10 0 BEAERN Clc1cccc(NCc2nc[nH]n2)c1 ZINC000042040759 361930085 /nfs/dbraw/zinc/93/00/85/361930085.db2.gz GHGAIUAMQYLCOO-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN CCC(CC)CNC(=O)[C@@H]1CCCO[C@H]1C ZINC000191285301 538992063 /nfs/dbraw/zinc/99/20/63/538992063.db2.gz YEKTZTOUGQANRN-CMPLNLGQSA-N 0 0 227.348 2.354 10 0 BEAERN CCC1(NC(=O)[C@@H]2CCCO[C@H]2C)CCC1 ZINC000188771814 538979608 /nfs/dbraw/zinc/97/96/08/538979608.db2.gz HENSIEAZDFHRIA-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN CCCc1nnc(Cl)n1-c1cccnc1 ZINC000071052642 361936433 /nfs/dbraw/zinc/93/64/33/361936433.db2.gz WUAUCMKAHVTCGN-UHFFFAOYSA-N 0 0 222.679 2.268 10 0 BEAERN CO[C@@H]1CCCC[C@@H]1n1cc(Cl)c(N)n1 ZINC000379905912 538981626 /nfs/dbraw/zinc/98/16/26/538981626.db2.gz IDUJAPQBMYBGDQ-DTWKUNHWSA-N 0 0 229.711 2.079 10 0 BEAERN Cc1nnc(Cl)n1[C@@H](C)c1ccncc1 ZINC000071054196 361938551 /nfs/dbraw/zinc/93/85/51/361938551.db2.gz JUFSLUNZGSCOAJ-ZETCQYMHSA-N 0 0 222.679 2.244 10 0 BEAERN Fc1ccc(Cn2cnnc2Cl)c(F)c1 ZINC000071054596 361938863 /nfs/dbraw/zinc/93/88/63/361938863.db2.gz FOKSJWGOINUSSZ-UHFFFAOYSA-N 0 0 229.617 2.258 10 0 BEAERN Cc1nnc(Cl)n1[C@H](C)c1cccnc1 ZINC000071054174 361938953 /nfs/dbraw/zinc/93/89/53/361938953.db2.gz GWAMIOCUOFHDKM-SSDOTTSWSA-N 0 0 222.679 2.244 10 0 BEAERN CCc1nnc(Cl)n1C[C@H]1CCCCO1 ZINC000071056073 361939057 /nfs/dbraw/zinc/93/90/57/361939057.db2.gz HMMUJXVIFJGHQG-MRVPVSSYSA-N 0 0 229.711 2.063 10 0 BEAERN CCOC(=O)[C@]1(CC)O[C@@]12CCC2(C)C ZINC000379981824 538983187 /nfs/dbraw/zinc/98/31/87/538983187.db2.gz SNSDMNSHERNTLZ-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN O[C@@H](c1nnc(Cl)s1)c1ccccc1 ZINC000071050907 361941130 /nfs/dbraw/zinc/94/11/30/361941130.db2.gz MZKQRZOGEMOOTJ-SSDOTTSWSA-N 0 0 226.688 2.273 10 0 BEAERN CN(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000193181987 539002607 /nfs/dbraw/zinc/00/26/07/539002607.db2.gz IFUIPYVYSIZEAJ-YUMQZZPRSA-N 0 0 238.253 2.379 10 0 BEAERN COC(=O)[C@@H]1O[C@]1(C)[C@@H]1CC2CCC1CC2 ZINC000381762435 539006755 /nfs/dbraw/zinc/00/67/55/539006755.db2.gz XGNNOHBGPONGAA-KDFSHQOKSA-N 0 0 224.300 2.143 10 0 BEAERN CCCC[C@H](c1ccccc1)S(N)(=O)=O ZINC000050350736 539010889 /nfs/dbraw/zinc/01/08/89/539010889.db2.gz VUMLNGRYFJXOMK-LLVKDONJSA-N 0 0 227.329 2.206 10 0 BEAERN CC1(C)CC[C@@H](S(N)(=O)=O)c2ccccc21 ZINC000050349943 539010915 /nfs/dbraw/zinc/01/09/15/539010915.db2.gz KVHWCSDITBINMY-LLVKDONJSA-N 0 0 239.340 2.088 10 0 BEAERN COc1ccc(Cl)cc1C(=O)COC(C)=O ZINC000382705234 361977743 /nfs/dbraw/zinc/97/77/43/361977743.db2.gz RYBJLWFAOKVGKD-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN Cc1nc2nc[nH]c2c(Nc2ccccc2)n1 ZINC000138425658 342844333 /nfs/dbraw/zinc/84/43/33/342844333.db2.gz QOXNNFWTMDJSHK-UHFFFAOYSA-N 0 0 225.255 2.405 10 0 BEAERN O=C(c1ncc[nH]1)c1sccc1Cl ZINC000229929067 342855691 /nfs/dbraw/zinc/85/56/91/342855691.db2.gz FUDSLQNDUFZTGH-UHFFFAOYSA-N 0 0 212.661 2.356 10 0 BEAERN C[C@H](O)c1ccc(OC(F)F)c(F)c1 ZINC000127094280 342844907 /nfs/dbraw/zinc/84/49/07/342844907.db2.gz JWXOXMMKSHVPOR-YFKPBYRVSA-N 0 0 206.163 2.480 10 0 BEAERN CCC1=[N+]([O-])[C@H](c2ccccc2)N(O)C1(C)C ZINC000144055801 361999067 /nfs/dbraw/zinc/99/90/67/361999067.db2.gz FZBJXQIMCGXMDM-LBPRGKRZSA-N 0 0 235.307 2.421 10 0 BEAERN CN(Cc1ccoc1)c1cc(Cl)ncn1 ZINC000042449054 362000544 /nfs/dbraw/zinc/00/05/44/362000544.db2.gz GDMGTXCSDXPELQ-UHFFFAOYSA-N 0 0 223.663 2.359 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1nsnc1Cl ZINC000042452307 362001622 /nfs/dbraw/zinc/00/16/22/362001622.db2.gz GZGNLFCDGKRCHZ-BQBZGAKWSA-N 0 0 247.751 2.195 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1nsnc1Cl ZINC000042452303 362001928 /nfs/dbraw/zinc/00/19/28/362001928.db2.gz GZGNLFCDGKRCHZ-RQJHMYQMSA-N 0 0 247.751 2.195 10 0 BEAERN CC[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1CCC[C@@H]1C ZINC000385782829 342852570 /nfs/dbraw/zinc/85/25/70/342852570.db2.gz ZYRKDOVORKXBEW-ZDEQEGDKSA-N 0 0 239.359 2.042 10 0 BEAERN CC(C)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000406124261 342853433 /nfs/dbraw/zinc/85/34/33/342853433.db2.gz STLCCXNVWUOGKL-UHFFFAOYSA-N 0 0 241.331 2.469 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(C(=O)OC)ccn1 ZINC000233435563 342862596 /nfs/dbraw/zinc/86/25/96/342862596.db2.gz DUJONZVQQUIVPL-ONGXEEELSA-N 0 0 234.299 2.469 10 0 BEAERN O=C1CSC[C@@H]1Cc1cccc(F)c1F ZINC000134560108 342866096 /nfs/dbraw/zinc/86/60/96/342866096.db2.gz MKPIEYIDIFJVRW-QMMMGPOBSA-N 0 0 228.263 2.439 10 0 BEAERN O=C1CSC[C@@H]1Cc1cc(F)ccc1F ZINC000134560406 342866127 /nfs/dbraw/zinc/86/61/27/342866127.db2.gz NVLCHMMMBUBECT-QMMMGPOBSA-N 0 0 228.263 2.439 10 0 BEAERN COc1cccc([C@H](NO)C(F)(F)F)c1 ZINC000308759343 342867657 /nfs/dbraw/zinc/86/76/57/342867657.db2.gz HKFCXHJPHUNTQT-QMMMGPOBSA-N 0 0 221.178 2.277 10 0 BEAERN O=C1CSC[C@H]1C[C@H](O)c1ccccc1 ZINC000134567992 342868534 /nfs/dbraw/zinc/86/85/34/342868534.db2.gz JUDNHSQCTJZQFD-MNOVXSKESA-N 0 0 222.309 2.042 10 0 BEAERN CCc1csc(N[C@H]2CCO[C@H]2C)n1 ZINC000134573608 342869435 /nfs/dbraw/zinc/86/94/35/342869435.db2.gz UNMKKEMSVQJLAD-CBAPKCEASA-N 0 0 212.318 2.295 10 0 BEAERN CCC(=O)c1ccc(C(=O)OC)cc1C ZINC000308798039 342872007 /nfs/dbraw/zinc/87/20/07/342872007.db2.gz ISNIXFKPXWKCTD-UHFFFAOYSA-N 0 0 206.241 2.374 10 0 BEAERN COC(=O)c1cnc(-c2occc2C)s1 ZINC000165056703 342872365 /nfs/dbraw/zinc/87/23/65/342872365.db2.gz WNGCKLZRVZDPSB-UHFFFAOYSA-N 0 0 223.253 2.498 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc(Cl)cs1 ZINC000165080412 342873790 /nfs/dbraw/zinc/87/37/90/342873790.db2.gz HOULILQKHFRPLJ-NTSWFWBYSA-N 0 0 218.709 2.386 10 0 BEAERN CC(=O)OCC(=O)c1ccc(C)cc1Cl ZINC000308840169 342873957 /nfs/dbraw/zinc/87/39/57/342873957.db2.gz YHZFESSPTMHSSH-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN O[C@H]1CSC[C@@H]1CCc1ccccc1 ZINC000134662209 342875355 /nfs/dbraw/zinc/87/53/55/342875355.db2.gz PXEPILAVXFBHNV-RYUDHWBXSA-N 0 0 208.326 2.343 10 0 BEAERN CCC[C@H](NO)c1ccc(OC)c(O)c1 ZINC000308906458 342876658 /nfs/dbraw/zinc/87/66/58/342876658.db2.gz VOYUYLYEPFCYPW-VIFPVBQESA-N 0 0 211.261 2.221 10 0 BEAERN O[C@H]1CSC[C@H]1Cc1ccccc1F ZINC000134669611 342876659 /nfs/dbraw/zinc/87/66/59/342876659.db2.gz ODSQPXQNNNLBCN-KOLCDFICSA-N 0 0 212.289 2.092 10 0 BEAERN OCC[C@@H](NO)c1ccc(Cl)cc1Cl ZINC000308598623 342857557 /nfs/dbraw/zinc/85/75/57/342857557.db2.gz TWZVOAMQXQMKAB-SECBINFHSA-N 0 0 236.098 2.396 10 0 BEAERN O=C(c1sccc1Cl)c1ccnnc1 ZINC000229959142 342860131 /nfs/dbraw/zinc/86/01/31/342860131.db2.gz RTMVDRFHIMNEBW-UHFFFAOYSA-N 0 0 224.672 2.423 10 0 BEAERN CC[C@H](O)CNc1c(N)cccc1Cl ZINC000229958002 342860220 /nfs/dbraw/zinc/86/02/20/342860220.db2.gz BZDXUPINISLUFX-ZETCQYMHSA-N 0 0 214.696 2.105 10 0 BEAERN Cc1ccc(C(=O)N(C)c2ccccn2)c(C)n1 ZINC000134496401 342860232 /nfs/dbraw/zinc/86/02/32/342860232.db2.gz OPKGSEBTJZDCLV-UHFFFAOYSA-N 0 0 241.294 2.370 10 0 BEAERN COC(=O)Cc1c(OC)cc(Cl)cc1OC ZINC000309148371 342896179 /nfs/dbraw/zinc/89/61/79/342896179.db2.gz MAKXSLIPEBKCAS-UHFFFAOYSA-N 0 0 244.674 2.073 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1ccc(Cl)cn1 ZINC000336255035 398317447 /nfs/dbraw/zinc/31/74/47/398317447.db2.gz NZGFUBDOIWPEHL-JOYOIKCWSA-N 0 0 240.734 2.080 10 0 BEAERN Cc1c2c(ccc1Br)[C@H](O)OC2 ZINC000216648319 342899108 /nfs/dbraw/zinc/89/91/08/342899108.db2.gz VUYCEFRMZXTFQV-SECBINFHSA-N 0 0 229.073 2.279 10 0 BEAERN CN(c1nc(Cl)ncc1Cl)[C@@H]1CCOC1 ZINC000134740561 342881025 /nfs/dbraw/zinc/88/10/25/342881025.db2.gz PPSFDUZDUIBBMT-ZCFIWIBFSA-N 0 0 248.113 2.009 10 0 BEAERN CCOC1CC(O)(c2ccc(C)s2)C1 ZINC000233772087 342881695 /nfs/dbraw/zinc/88/16/95/342881695.db2.gz CEBMAJBSCUTTKL-UHFFFAOYSA-N 0 0 212.314 2.443 10 0 BEAERN C[C@@H](O)CNc1ccc2ccccc2n1 ZINC000035100495 342882388 /nfs/dbraw/zinc/88/23/88/342882388.db2.gz LKNACODNIRCAMY-SECBINFHSA-N 0 0 202.257 2.028 10 0 BEAERN Cc1ccc(C(N)=S)cc1NC(=O)C(C)C ZINC000050428870 178458585 /nfs/dbraw/zinc/45/85/85/178458585.db2.gz JCPQXDSTTAWITI-UHFFFAOYSA-N 0 0 236.340 2.224 10 0 BEAERN CCOC(=O)c1nc2cccc(OC)c2s1 ZINC000309171554 342902990 /nfs/dbraw/zinc/90/29/90/342902990.db2.gz PGXWRPXZHYFYAL-UHFFFAOYSA-N 0 0 237.280 2.482 10 0 BEAERN CCOC(=O)c1cccc(N)c1C(F)(F)F ZINC000309177063 342903316 /nfs/dbraw/zinc/90/33/16/342903316.db2.gz YWDMZDNCJIDSFM-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN Clc1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000157758514 342923249 /nfs/dbraw/zinc/92/32/49/342923249.db2.gz ADBTZIJBDCVHRP-MRVPVSSYSA-N 0 0 222.631 2.399 10 0 BEAERN Clc1nnc([C@@H]2Cc3ccccc3O2)o1 ZINC000157758662 342923301 /nfs/dbraw/zinc/92/33/01/342923301.db2.gz ADBTZIJBDCVHRP-QMMMGPOBSA-N 0 0 222.631 2.399 10 0 BEAERN Nc1nc(=S)cc(NCc2ccccc2)[nH]1 ZINC000017313852 342923557 /nfs/dbraw/zinc/92/35/57/342923557.db2.gz NHKVGQJKAIDMRO-UHFFFAOYSA-N 0 0 232.312 2.333 10 0 BEAERN O=Cc1cc(OC(F)F)cc(F)c1F ZINC000306791303 398325935 /nfs/dbraw/zinc/32/59/35/398325935.db2.gz XCMXOZUUNJLNBP-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN CC[C@@](C)(O)C(=O)c1ccc(F)cc1C ZINC000233960730 342914907 /nfs/dbraw/zinc/91/49/07/342914907.db2.gz QTRSNTNVXWOYPQ-GFCCVEGCSA-N 0 0 210.248 2.478 10 0 BEAERN CC[C@@H]1C[C@H]1c1nc(Br)no1 ZINC000306671874 398325159 /nfs/dbraw/zinc/32/51/59/398325159.db2.gz ZPXQFSVRNFKOAI-RFZPGFLSSA-N 0 0 217.066 2.346 10 0 BEAERN CC[C@@H](C)[C@@H](O)C1(O)CCCCCC1 ZINC000233983323 342919913 /nfs/dbraw/zinc/91/99/13/342919913.db2.gz HLSXLVOVXPRQJV-GHMZBOCLSA-N 0 0 200.322 2.479 10 0 BEAERN C[C@@H]1Cc2c(c(F)c(F)cc2F)[C@H]1O ZINC000235395224 398337277 /nfs/dbraw/zinc/33/72/77/398337277.db2.gz YNZALJAEJDYPFP-KNODYTOMSA-N 0 0 202.175 2.330 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CCCc2nccnc21 ZINC000115700944 398333565 /nfs/dbraw/zinc/33/35/65/398333565.db2.gz UCUWZYJJOKIHOZ-SNVBAGLBSA-N 0 0 249.314 2.379 10 0 BEAERN OCC1(F)CCC2(CC1)Oc1ccccc1O2 ZINC000116884556 342939035 /nfs/dbraw/zinc/93/90/35/342939035.db2.gz WFLSCUZUGHFYAG-UHFFFAOYSA-N 0 0 238.258 2.429 10 0 BEAERN Clc1cc(Sc2nc[nH]n2)c(Cl)nn1 ZINC000127274346 398339664 /nfs/dbraw/zinc/33/96/64/398339664.db2.gz HZHPECDCRPUKDS-UHFFFAOYSA-N 0 0 248.098 2.053 10 0 BEAERN C[C@@H](CO)[C@H](C)NC(=O)CCCc1ccccc1 ZINC000133655245 398341568 /nfs/dbraw/zinc/34/15/68/398341568.db2.gz OEYPEUDOVKKBCN-STQMWFEESA-N 0 0 249.354 2.142 10 0 BEAERN Nn1nc(C2CCCCC2)c2ccccc2c1=O ZINC000117112292 342945274 /nfs/dbraw/zinc/94/52/74/342945274.db2.gz GVTJQWJQIQTZOW-UHFFFAOYSA-N 0 0 243.310 2.158 10 0 BEAERN O=C1OCCN1Cc1ccc(Cl)nc1Cl ZINC000236059735 398345247 /nfs/dbraw/zinc/34/52/47/398345247.db2.gz VPGPKGOVWUTVRR-UHFFFAOYSA-N 0 0 247.081 2.341 10 0 BEAERN CCC(=O)Nc1cc(N)ccc1Br ZINC000159213720 349699728 /nfs/dbraw/zinc/69/97/28/349699728.db2.gz SLGQXFFDDSKDCZ-UHFFFAOYSA-N 0 0 243.104 2.380 10 0 BEAERN C[C@H]([N@H+](C)Cc1oncc1C(=O)[O-])C(C)(C)C ZINC000304550353 259335348 /nfs/dbraw/zinc/33/53/48/259335348.db2.gz FKCBGEKCGLZIBC-QMMMGPOBSA-N 0 0 240.303 2.239 10 0 BEAERN C[C@@H]([N@H+](C)Cc1oncc1C(=O)[O-])C(C)(C)C ZINC000304550350 259335525 /nfs/dbraw/zinc/33/55/25/259335525.db2.gz FKCBGEKCGLZIBC-MRVPVSSYSA-N 0 0 240.303 2.239 10 0 BEAERN N#C[C@H](F)c1ccc(Br)cn1 ZINC000216812400 342978002 /nfs/dbraw/zinc/97/80/02/342978002.db2.gz MVKUIAMMJZRCSH-LURJTMIESA-N 0 0 215.025 2.378 10 0 BEAERN COC(=O)c1ccc2[nH]nc(C(F)(F)F)c2c1 ZINC000260483721 349717281 /nfs/dbraw/zinc/71/72/81/349717281.db2.gz HZSDDKGFPWPFBH-UHFFFAOYSA-N 0 0 244.172 2.368 10 0 BEAERN c1nc(SCc2nc3ccccc3o2)n[nH]1 ZINC000008517284 259339358 /nfs/dbraw/zinc/33/93/58/259339358.db2.gz SCEJCACLYUGFAZ-UHFFFAOYSA-N 0 0 232.268 2.238 10 0 BEAERN Oc1ccc2c(c1)O[C@H]([C@@H]1CCCO1)CC2 ZINC000117567140 343004529 /nfs/dbraw/zinc/00/45/29/343004529.db2.gz FXURNNUJVHBUTP-RYUDHWBXSA-N 0 0 220.268 2.265 10 0 BEAERN CCOC(OCC)[C@@H](C)[C@@H](C)OCC ZINC000036467129 343014458 /nfs/dbraw/zinc/01/44/58/343014458.db2.gz BWDYLUMZXQQYHK-VHSXEESVSA-N 0 0 204.310 2.447 10 0 BEAERN O=Cc1ncccc1NC(=O)c1ccccc1 ZINC000117976685 343027617 /nfs/dbraw/zinc/02/76/17/343027617.db2.gz JBIQKRZWLHYHEV-UHFFFAOYSA-N 0 0 226.235 2.146 10 0 BEAERN Nc1cc(F)ccc1NC(=O)c1ccccc1O ZINC000022143629 343042415 /nfs/dbraw/zinc/04/24/15/343042415.db2.gz QKFNNXCBYUANMI-UHFFFAOYSA-N 0 0 246.241 2.366 10 0 BEAERN CC(C)(C)OC(=O)N1CCCCC[C@H]1O ZINC000021991318 343032450 /nfs/dbraw/zinc/03/24/50/343032450.db2.gz YUMNPYZNPVXWGB-SECBINFHSA-N 0 0 215.293 2.116 10 0 BEAERN C[C@@](O)(c1cccc(O)c1)C(F)(F)F ZINC000043368164 343057869 /nfs/dbraw/zinc/05/78/69/343057869.db2.gz CQMXLKPJCSHSOD-MRVPVSSYSA-N 0 0 206.163 2.162 10 0 BEAERN Cc1nc(C)c(Br)cc1O ZINC000169460163 187227533 /nfs/dbraw/zinc/22/75/33/187227533.db2.gz GQBILYGKQVJSDH-UHFFFAOYSA-N 0 0 202.051 2.167 10 0 BEAERN CCN/C(C)=C\C(=O)Nc1ccccc1 ZINC000139562321 343066021 /nfs/dbraw/zinc/06/60/21/343066021.db2.gz LIOIJGZMGIGEOL-KTKRTIGZSA-N 0 0 204.273 2.138 10 0 BEAERN CC[C@H](Nc1cnc(C(=O)OC)cn1)C(C)C ZINC000234030061 343066034 /nfs/dbraw/zinc/06/60/34/343066034.db2.gz YYITXSLHIQHMJS-VIFPVBQESA-N 0 0 237.303 2.110 10 0 BEAERN COC(=O)c1cc(OC)cc(OC)c1Cl ZINC000145001380 343066478 /nfs/dbraw/zinc/06/64/78/343066478.db2.gz AYXLWUQMWRMNMA-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN OCCCNc1cccc(Cl)c1F ZINC000043444142 343071003 /nfs/dbraw/zinc/07/10/03/343071003.db2.gz QWZDVFVTAPRVBM-UHFFFAOYSA-N 0 0 203.644 2.273 10 0 BEAERN Nc1c(Cl)n(C2CC2)nc1C(F)(F)F ZINC000584880336 343081017 /nfs/dbraw/zinc/08/10/17/343081017.db2.gz RUVMFUPUVOKZHB-UHFFFAOYSA-N 0 0 225.601 2.472 10 0 BEAERN O=Cc1cnc2cnc(-c3ccccc3F)cn12 ZINC000584880658 343081115 /nfs/dbraw/zinc/08/11/15/343081115.db2.gz KOVCENWJZLVSLD-UHFFFAOYSA-N 0 0 241.225 2.348 10 0 BEAERN COc1cc(F)cc(Br)c1O ZINC000144321991 362020899 /nfs/dbraw/zinc/02/08/99/362020899.db2.gz GTIRYDMXHBDLPF-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN Nc1cnc2c(Cl)c(F)ccc2c1N ZINC000584882409 343084715 /nfs/dbraw/zinc/08/47/15/343084715.db2.gz GIVDBIUWOVSURA-UHFFFAOYSA-N 0 0 211.627 2.192 10 0 BEAERN CCNc1c(N)cnc2cc(F)c(Cl)cc21 ZINC000584882339 343084793 /nfs/dbraw/zinc/08/47/93/343084793.db2.gz CRVZJKKTANJHSU-UHFFFAOYSA-N 0 0 239.681 2.463 10 0 BEAERN CC[C@@]1(C(=O)OC)N[C@H](C)Cc2ccsc21 ZINC000584883889 343086884 /nfs/dbraw/zinc/08/68/84/343086884.db2.gz VVGIFFHRQLQPIK-PRHODGIISA-N 0 0 239.340 2.061 10 0 BEAERN OCc1cccc(Oc2nsnc2Cl)c1 ZINC000043475598 343087377 /nfs/dbraw/zinc/08/73/77/343087377.db2.gz JCHPZUDQCNDCDY-UHFFFAOYSA-N 0 0 242.687 2.476 10 0 BEAERN Clc1cc(Cl)nc([C@@H]2CCOC2)n1 ZINC000082473721 343074841 /nfs/dbraw/zinc/07/48/41/343074841.db2.gz KIYBIZPTCWNELV-RXMQYKEDSA-N 0 0 219.071 2.287 10 0 BEAERN C[C@H](O)c1ccc(N2CCC[C@@H](C)C2)nc1 ZINC000124895611 343075515 /nfs/dbraw/zinc/07/55/15/343075515.db2.gz NZFOSSZYXMEGLL-MNOVXSKESA-N 0 0 220.316 2.371 10 0 BEAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)C2)nc1 ZINC000124895062 343075604 /nfs/dbraw/zinc/07/56/04/343075604.db2.gz NZFOSSZYXMEGLL-GHMZBOCLSA-N 0 0 220.316 2.371 10 0 BEAERN COC(=O)c1ccc(N)c(OC(C)(C)C)c1 ZINC000169065214 343075917 /nfs/dbraw/zinc/07/59/17/343075917.db2.gz OONHEMSTCRIYMR-UHFFFAOYSA-N 0 0 223.272 2.233 10 0 BEAERN Nc1cnc2ccc(N3CCCC3)cc2c1 ZINC000259608015 343076717 /nfs/dbraw/zinc/07/67/17/343076717.db2.gz YYZQBAMKPPOQGV-UHFFFAOYSA-N 0 0 213.284 2.417 10 0 BEAERN CC[C@H]1CCCC[C@@H]1NC(=O)n1ccnc1 ZINC000042581647 362010668 /nfs/dbraw/zinc/01/06/68/362010668.db2.gz GHFGWGXUVDBEDS-QWRGUYRKSA-N 0 0 221.304 2.410 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(cc(F)cc2Cl)N1 ZINC000260344548 343077608 /nfs/dbraw/zinc/07/76/08/343077608.db2.gz LLZCBJVNBZLIBE-JTQLQIEISA-N 0 0 243.665 2.379 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(c(C)ccc2C)N1 ZINC000261092891 343077627 /nfs/dbraw/zinc/07/76/27/343077627.db2.gz XYZOUWYYFPIBQT-NSHDSACASA-N 0 0 219.284 2.203 10 0 BEAERN CCOC(OCC)C(=O)CC(C)(C)C ZINC000043503982 343100679 /nfs/dbraw/zinc/10/06/79/343100679.db2.gz AZKOHZPFPMADJP-UHFFFAOYSA-N 0 0 202.294 2.391 10 0 BEAERN CCOC(OCC)C(=O)[C@H]1C=CCCC1 ZINC000043503880 343100791 /nfs/dbraw/zinc/10/07/91/343100791.db2.gz QJDXVEODGJWKSK-JTQLQIEISA-N 0 0 212.289 2.311 10 0 BEAERN COCC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000043504724 343101492 /nfs/dbraw/zinc/10/14/92/343101492.db2.gz NMRMZKVHRIOVKC-UHFFFAOYSA-N 0 0 220.602 2.447 10 0 BEAERN COCC(=O)c1cccc(OC(C)C)c1 ZINC000043504871 343101753 /nfs/dbraw/zinc/10/17/53/343101753.db2.gz CHKZZWLSNZJBIN-UHFFFAOYSA-N 0 0 208.257 2.303 10 0 BEAERN COc1c2ccoc2cc2oc(C=O)cc(=O)c21 ZINC000013776565 343104012 /nfs/dbraw/zinc/10/40/12/343104012.db2.gz BIGQBLGBMMBSLV-UHFFFAOYSA-N 0 0 244.202 2.360 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)C1(C)CCCCC1 ZINC000640802759 362050218 /nfs/dbraw/zinc/05/02/18/362050218.db2.gz BLURIESOYDQGOC-VXGBXAGGSA-N 0 0 239.359 2.329 10 0 BEAERN O=c1[nH]ccc(C(F)(F)F)c1C(F)(F)F ZINC000142220454 343106834 /nfs/dbraw/zinc/10/68/34/343106834.db2.gz NKUWMFPEXZSUAH-UHFFFAOYSA-N 0 0 231.095 2.413 10 0 BEAERN O=C(NC/C=C/c1ccccc1)NCCCF ZINC000120064155 343107472 /nfs/dbraw/zinc/10/74/72/343107472.db2.gz NEFKVLOUMMWCBA-XBXARRHUSA-N 0 0 236.290 2.359 10 0 BEAERN C[C@H]1C(=O)CCN2c3ccccc3CC[C@H]12 ZINC000013911080 343107509 /nfs/dbraw/zinc/10/75/09/343107509.db2.gz AZJQJBOXQUMXGS-ZYHUDNBSSA-N 0 0 215.296 2.417 10 0 BEAERN O=c1nc2c(Cl)ccc(Cl)c2c[nH]1 ZINC000238593613 259350423 /nfs/dbraw/zinc/35/04/23/259350423.db2.gz PLRNVCKAEBPZGH-UHFFFAOYSA-N 0 0 215.039 2.230 10 0 BEAERN Cc1cc(C)nc(N[C@@]2(C)CCCOC2)n1 ZINC000309911664 343093003 /nfs/dbraw/zinc/09/30/03/343093003.db2.gz NBGLTXVZDIBMLJ-LBPRGKRZSA-N 0 0 221.304 2.074 10 0 BEAERN O=C1CCc2c(ccc3c(O)cccc32)O1 ZINC000013560930 343094346 /nfs/dbraw/zinc/09/43/46/343094346.db2.gz YLFOVROHWSKHBC-UHFFFAOYSA-N 0 0 214.220 2.397 10 0 BEAERN CC[C@@H](O)[C@@H](O)c1ccc(Cl)cc1F ZINC000233898637 343118022 /nfs/dbraw/zinc/11/80/22/343118022.db2.gz OMROUGDRGSJGSC-ZJUUUORDSA-N 0 0 218.655 2.283 10 0 BEAERN NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC000039149775 343118534 /nfs/dbraw/zinc/11/85/34/343118534.db2.gz OODXUMJWUPFMTD-LOWDOPEQSA-N 0 0 215.296 2.302 10 0 BEAERN CCC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000138814688 343118605 /nfs/dbraw/zinc/11/86/05/343118605.db2.gz IWIFIKGAZIYVNN-NSHDSACASA-N 0 0 204.225 2.267 10 0 BEAERN Cc1ncc(NC(=O)c2ccccc2)c(C)n1 ZINC000142904472 343114025 /nfs/dbraw/zinc/11/40/25/343114025.db2.gz ZWJHYJWXZFRHKI-UHFFFAOYSA-N 0 0 227.267 2.346 10 0 BEAERN OCc1cccnc1-c1ccccc1F ZINC000238728044 187233569 /nfs/dbraw/zinc/23/35/69/187233569.db2.gz MMEJQYIROIBNGI-UHFFFAOYSA-N 0 0 203.216 2.380 10 0 BEAERN C[C@H](O[C@H]1CCC[C@@H](C)C1)C(N)=S ZINC000043515219 343117108 /nfs/dbraw/zinc/11/71/08/343117108.db2.gz LUNIMLRNWIBNTC-VGMNWLOBSA-N 0 0 201.335 2.256 10 0 BEAERN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000092925680 343148440 /nfs/dbraw/zinc/14/84/40/343148440.db2.gz CEKLZWZHAAEGEI-KGYLQXTDSA-N 0 0 245.322 2.121 10 0 BEAERN Cc1ccsc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000027915887 343125730 /nfs/dbraw/zinc/12/57/30/343125730.db2.gz PTBUMQRIEWEZCX-NXEZZACHSA-N 0 0 239.340 2.354 10 0 BEAERN Nc1nccc(-c2c[nH]c3nccc(Cl)c23)n1 ZINC000029135071 343136181 /nfs/dbraw/zinc/13/61/81/343136181.db2.gz DTBMYSHZPNXMDE-UHFFFAOYSA-N 0 0 245.673 2.256 10 0 BEAERN CO[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC000144750083 343138344 /nfs/dbraw/zinc/13/83/44/343138344.db2.gz JRMHDPZZHCRQIJ-LLVKDONJSA-N 0 0 221.256 2.254 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1cnc2[nH]ccc2c1 ZINC000165294614 343139737 /nfs/dbraw/zinc/13/97/37/343139737.db2.gz WKOBKBSBABFUCN-MNOVXSKESA-N 0 0 230.267 2.230 10 0 BEAERN O[C@H](c1ccncc1)c1cccc(F)c1 ZINC000034408693 343142534 /nfs/dbraw/zinc/14/25/34/343142534.db2.gz OPPCUNOKQXAKSO-GFCCVEGCSA-N 0 0 203.216 2.302 10 0 BEAERN CC(=O)CCN(C)C(=O)OCc1ccccc1 ZINC000144901800 343142561 /nfs/dbraw/zinc/14/25/61/343142561.db2.gz QGCRVPQRPFPOAG-UHFFFAOYSA-N 0 0 235.283 2.234 10 0 BEAERN O=CNc1ccccc1CCc1ccccn1 ZINC000165409194 343143140 /nfs/dbraw/zinc/14/31/40/343143140.db2.gz DLBVYHJZSYSTBQ-UHFFFAOYSA-N 0 0 226.279 2.435 10 0 BEAERN CCc1ncc(Br)c(CC)n1 ZINC000082326422 187243113 /nfs/dbraw/zinc/24/31/13/187243113.db2.gz OAIVFCCBRBOWND-UHFFFAOYSA-N 0 0 215.094 2.364 10 0 BEAERN O=c1cc[nH]c2cc(F)c(Br)cc12 ZINC000147105641 343197871 /nfs/dbraw/zinc/19/78/71/343197871.db2.gz CTRHOWYLGCZQDS-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN C=CC(=O)OCCC(F)(F)C(F)(F)F ZINC000005192781 187247999 /nfs/dbraw/zinc/24/79/99/187247999.db2.gz AVVYSSRKCWEPBH-UHFFFAOYSA-N 0 0 218.121 2.303 10 0 BEAERN Cc1nn(Cc2ccc(F)cc2F)c(C)c1N ZINC000050884809 343221691 /nfs/dbraw/zinc/22/16/91/343221691.db2.gz PAZABIOJOXCVLI-UHFFFAOYSA-N 0 0 237.253 2.409 10 0 BEAERN CC(C)=CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046495368 343224092 /nfs/dbraw/zinc/22/40/92/343224092.db2.gz ZAURKCXQHAHYLJ-VXGBXAGGSA-N 0 0 223.316 2.123 10 0 BEAERN C[C@H]1C[NH2+]C[C@H](c2cc(F)ccc2F)O1 ZINC000036986399 187250810 /nfs/dbraw/zinc/25/08/10/187250810.db2.gz OGCNUJJIONCYEV-WRWORJQWSA-N 0 0 213.227 2.014 10 0 BEAERN CC1(C)OC(=O)C(=C2CCCCC2)C(=O)O1 ZINC000032206148 343230479 /nfs/dbraw/zinc/23/04/79/343230479.db2.gz ZFXJTJOKAQLEEY-UHFFFAOYSA-N 0 0 224.256 2.083 10 0 BEAERN C[C@]1([C@@H](NN)C2CCCC2)CCCS1 ZINC000127128057 343233397 /nfs/dbraw/zinc/23/33/97/343233397.db2.gz IXICWNWGFOEUJH-WDEREUQCSA-N 0 0 214.378 2.294 10 0 BEAERN NC(=O)c1cccc2[nH]c(-c3ccccc3)nc21 ZINC000013834535 187251120 /nfs/dbraw/zinc/25/11/20/187251120.db2.gz OBBJGEVEIULNEO-UHFFFAOYSA-N 0 0 237.262 2.329 10 0 BEAERN CC(=O)NC1(Cc2ccc(C)cc2)CC1 ZINC000238078380 343240226 /nfs/dbraw/zinc/24/02/26/343240226.db2.gz QYPCSYVBEUCQLI-UHFFFAOYSA-N 0 0 203.285 2.206 10 0 BEAERN Nc1ccc(-n2cccn2)c(Br)c1 ZINC000043597501 343242201 /nfs/dbraw/zinc/24/22/01/343242201.db2.gz SVCLPWWDSJUDSW-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN Nc1ccc(-n2ccnc2)c(Br)c1 ZINC000043597497 343242339 /nfs/dbraw/zinc/24/23/39/343242339.db2.gz VIEPRZOOYCERIT-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN COC(=O)C=C(C)Nc1ccccc1F ZINC000138827170 343245936 /nfs/dbraw/zinc/24/59/36/343245936.db2.gz SNQCIXRXMJUWFM-FPLPWBNLSA-N 0 0 209.220 2.314 10 0 BEAERN COC(OC)c1ccc(C(OC)OC)cc1 ZINC000033506372 343255640 /nfs/dbraw/zinc/25/56/40/343255640.db2.gz BICKDMSEOVJSQC-UHFFFAOYSA-N 0 0 226.272 2.269 10 0 BEAERN Clc1ncnc2c1ncn2C1CC=CC1 ZINC000138907744 343250666 /nfs/dbraw/zinc/25/06/66/343250666.db2.gz DWMXLNSPKYITOC-UHFFFAOYSA-N 0 0 220.663 2.371 10 0 BEAERN CCCCCCNC(=O)[C@H]1CCCC1=O ZINC000238241002 343252451 /nfs/dbraw/zinc/25/24/51/343252451.db2.gz YTGLHFFYJGSGCH-JTQLQIEISA-N 0 0 211.305 2.052 10 0 BEAERN Cc1cc(C)n(-c2ccc(N)cc2C)n1 ZINC000036950224 187250495 /nfs/dbraw/zinc/25/04/95/187250495.db2.gz JPOKARSNYPLADG-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN CN(C)c1ccc(NCc2nccn2C)cc1 ZINC000035164896 343287647 /nfs/dbraw/zinc/28/76/47/343287647.db2.gz HWWDGHOZSODOGE-UHFFFAOYSA-N 0 0 230.315 2.098 10 0 BEAERN O=c1[nH]ncc2c(F)c(Cl)nc(Cl)c12 ZINC000575601372 343261210 /nfs/dbraw/zinc/26/12/10/343261210.db2.gz BYLMKFAFXXIDOE-UHFFFAOYSA-N 0 0 234.017 2.176 10 0 BEAERN CCOc1ccc([C@H](C)c2c[nH]cn2)nc1 ZINC000034050020 343263893 /nfs/dbraw/zinc/26/38/93/343263893.db2.gz QEKPWAOPMKAEJC-VIFPVBQESA-N 0 0 217.272 2.355 10 0 BEAERN Cc1ccnc(NC(=O)c2ccc(O)cc2)c1 ZINC000019844300 187252705 /nfs/dbraw/zinc/25/27/05/187252705.db2.gz OBEPZPXJAVKMEF-UHFFFAOYSA-N 0 0 228.251 2.348 10 0 BEAERN Nc1ccc(OC(F)(F)F)c(F)c1F ZINC000034174889 343266100 /nfs/dbraw/zinc/26/61/00/343266100.db2.gz SLBZPAVVVANJBN-UHFFFAOYSA-N 0 0 213.105 2.446 10 0 BEAERN C[C@@H](NC(=O)NCCCF)C(C)(C)C ZINC000121348582 343267017 /nfs/dbraw/zinc/26/70/17/343267017.db2.gz GGHOEZINNLGLQG-MRVPVSSYSA-N 0 0 204.289 2.080 10 0 BEAERN COC(=O)CCCCCNC(=O)c1ccccc1 ZINC000034507834 343273882 /nfs/dbraw/zinc/27/38/82/343273882.db2.gz VQSANGBWDQQOFP-UHFFFAOYSA-N 0 0 249.310 2.150 10 0 BEAERN Cc1cc(C)nc(N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000035216622 343290124 /nfs/dbraw/zinc/29/01/24/343290124.db2.gz YPENGMHRMKPHEB-QWRGUYRKSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cccc(C(=O)Nc2ccncc2)c1N ZINC000021957987 187254463 /nfs/dbraw/zinc/25/44/63/187254463.db2.gz PWRXTSJHKZTUQO-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN COc1cc(C)c(NCc2cc[nH]n2)cc1OC ZINC000037056893 343332366 /nfs/dbraw/zinc/33/23/66/343332366.db2.gz KYBRKFDGBJKAMO-UHFFFAOYSA-N 0 0 247.298 2.347 10 0 BEAERN CC[C@H](OC)c1noc(C2CCC(=O)CC2)n1 ZINC000156765329 133472723 /nfs/dbraw/zinc/47/27/23/133472723.db2.gz GBHWWKADBHUTRD-JTQLQIEISA-N 0 0 238.287 2.394 10 0 BEAERN CCc1ccc2[nH]c(CCCO)nc2c1 ZINC000026462048 187255355 /nfs/dbraw/zinc/25/53/55/187255355.db2.gz SPDULORFCFLGDT-UHFFFAOYSA-N 0 0 204.273 2.050 10 0 BEAERN Cc1ccc([C@H](C)Nc2cnn(C)c2)o1 ZINC000035737754 343303024 /nfs/dbraw/zinc/30/30/24/343303024.db2.gz GHZSCTNPMWHBCL-VIFPVBQESA-N 0 0 205.261 2.495 10 0 BEAERN O=S(=O)(c1ccccc1)N1C=CCCCC1 ZINC000200606799 343304021 /nfs/dbraw/zinc/30/40/21/343304021.db2.gz FZCYWYBFXCRBGK-UHFFFAOYSA-N 0 0 237.324 2.375 10 0 BEAERN Cc1cc(Br)cn2c(C=O)cnc12 ZINC000036291663 343314469 /nfs/dbraw/zinc/31/44/69/343314469.db2.gz CBXMTMFQOVHGHD-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN C[C@H]1C[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000068909739 187256927 /nfs/dbraw/zinc/25/69/27/187256927.db2.gz UOGWNDGGVLFNEC-NTSWFWBYSA-N 0 0 217.194 2.316 10 0 BEAERN c1ccc(CCn2nnc3ccncc32)cc1 ZINC000201364421 343378933 /nfs/dbraw/zinc/37/89/33/343378933.db2.gz MYTVEHLCMXQWGM-UHFFFAOYSA-N 0 0 224.267 2.069 10 0 BEAERN CC[C@](C)(O)C(=O)c1ccc(F)c(F)c1 ZINC000234083102 343334656 /nfs/dbraw/zinc/33/46/56/343334656.db2.gz DBJXQZBURCNNGA-NSHDSACASA-N 0 0 214.211 2.309 10 0 BEAERN CCOc1cc2c(cc1OCC)NCC2 ZINC000037116801 343334775 /nfs/dbraw/zinc/33/47/75/343334775.db2.gz IRSABMWXFYRLME-UHFFFAOYSA-N 0 0 207.273 2.452 10 0 BEAERN CC[C@](C)(O)C(=O)c1ccc(F)cc1F ZINC000234083169 343335125 /nfs/dbraw/zinc/33/51/25/343335125.db2.gz XVUUSFVSHBVKMG-NSHDSACASA-N 0 0 214.211 2.309 10 0 BEAERN COCC(=O)c1ccc(Br)s1 ZINC000037346621 343343356 /nfs/dbraw/zinc/34/33/56/343343356.db2.gz SUYRWOXKQMXPMH-UHFFFAOYSA-N 0 0 235.102 2.340 10 0 BEAERN Clc1nsnc1NCc1ccco1 ZINC000037372212 343343893 /nfs/dbraw/zinc/34/38/93/343343893.db2.gz OYKDXRKKDSGJJI-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN Cn1ccc(NC[C@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000037471828 343346266 /nfs/dbraw/zinc/34/62/66/343346266.db2.gz QEUAIPRCZLYWBB-OUAUKWLOSA-N 0 0 203.289 2.044 10 0 BEAERN O=C(c1snnc1C1CC1)N1C[C@H]2CCC[C@@H]21 ZINC000335674657 136317916 /nfs/dbraw/zinc/31/79/16/136317916.db2.gz WNSNTTGKYVKXDS-BDAKNGLRSA-N 0 0 249.339 2.040 10 0 BEAERN O=C(c1snnc1C1CC1)N1C[C@@H]2CCC[C@@H]21 ZINC000335674659 136317941 /nfs/dbraw/zinc/31/79/41/136317941.db2.gz WNSNTTGKYVKXDS-IUCAKERBSA-N 0 0 249.339 2.040 10 0 BEAERN Cc1cccc(C(=O)Nc2ccc(N)cn2)c1 ZINC000036904021 187259052 /nfs/dbraw/zinc/25/90/52/187259052.db2.gz JGZXTZZIRHWMCH-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN COc1ccc(OC[C@@H]2CCCO2)c(C=O)c1 ZINC000037022115 187259584 /nfs/dbraw/zinc/25/95/84/187259584.db2.gz KXDUVKFWKLKEMF-LBPRGKRZSA-N 0 0 236.267 2.066 10 0 BEAERN CC1(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000071520454 187260195 /nfs/dbraw/zinc/26/01/95/187260195.db2.gz BVHPOEMHSBGSDM-UHFFFAOYSA-N 0 0 218.252 2.441 10 0 BEAERN Nc1ccc(F)cc1C(=O)Nc1ccc(F)cn1 ZINC000039073088 343381474 /nfs/dbraw/zinc/38/14/74/343381474.db2.gz IJHYMTSRYBTGAG-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CCO[C@H]1Cc2c(c(C)cc(O)c2C)O1 ZINC000039099612 343383123 /nfs/dbraw/zinc/38/31/23/343383123.db2.gz XHVZEBQSQFLHEG-LLVKDONJSA-N 0 0 208.257 2.307 10 0 BEAERN CCOc1nc(C)nc2ccc(OC)cc21 ZINC000039100355 343383600 /nfs/dbraw/zinc/38/36/00/343383600.db2.gz QUVOFZMRYJYAMC-UHFFFAOYSA-N 0 0 218.256 2.346 10 0 BEAERN CCc1cc(Cl)c(C)c(Cl)[n+]1[O-] ZINC000039101065 343383994 /nfs/dbraw/zinc/38/39/94/343383994.db2.gz KXYXAFOIMPSVNL-UHFFFAOYSA-N 0 0 206.072 2.498 10 0 BEAERN CCc1ccc(C(=O)c2ccncc2)[nH]1 ZINC000039100594 343384020 /nfs/dbraw/zinc/38/40/20/343384020.db2.gz SCDIBKSULGLIRC-UHFFFAOYSA-N 0 0 200.241 2.203 10 0 BEAERN Clc1cnc2ncnc(Cl)c2c1 ZINC000039117536 343385407 /nfs/dbraw/zinc/38/54/07/343385407.db2.gz UIWQZHNOVPDFTA-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN O=C(CCn1ccnc1)c1ccccc1 ZINC000039650075 343391782 /nfs/dbraw/zinc/39/17/82/343391782.db2.gz JHFZXQDRGYYUGG-UHFFFAOYSA-N 0 0 200.241 2.156 10 0 BEAERN CO/C=C(/C(=O)OC)c1ccccc1C ZINC000017142706 343392277 /nfs/dbraw/zinc/39/22/77/343392277.db2.gz IIYFINSFZVFXCL-DHZHZOJOSA-N 0 0 206.241 2.155 10 0 BEAERN Cc1ccc(N)cc1C(=O)Nc1cccnc1 ZINC000041031638 343413046 /nfs/dbraw/zinc/41/30/46/343413046.db2.gz FDTPQOLPEHMJTN-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN CCn1cc(C=O)c(-c2ccccc2)n1 ZINC000041043563 343413647 /nfs/dbraw/zinc/41/36/47/343413647.db2.gz YKCPYVUELNKYJD-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN NNC(=S)c1ccccc1-c1ccccc1 ZINC000149656483 343440095 /nfs/dbraw/zinc/44/00/95/343440095.db2.gz ZWXGKWJAAZEXQM-UHFFFAOYSA-N 0 0 228.320 2.492 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOCC2(CC2)C1 ZINC000335716991 136339706 /nfs/dbraw/zinc/33/97/06/136339706.db2.gz NMJAALAKXUDQNC-VXGBXAGGSA-N 0 0 237.343 2.062 10 0 BEAERN Cc1ccc(NCCC(=O)N(C)C)cc1C ZINC000037897843 187261398 /nfs/dbraw/zinc/26/13/98/187261398.db2.gz FHWOVWVHVWJNGZ-UHFFFAOYSA-N 0 0 220.316 2.194 10 0 BEAERN CC(C)c1nccnc1NCC1(O)CCCCC1 ZINC000350484616 136361439 /nfs/dbraw/zinc/36/14/39/136361439.db2.gz VHYUVAKCLSASTD-UHFFFAOYSA-N 0 0 249.358 2.129 10 0 BEAERN CCOC(=O)[C@H](C)CC(=O)c1ccc(O)cc1 ZINC000202710113 343456566 /nfs/dbraw/zinc/45/65/66/343456566.db2.gz QSEAEFJIKLPWEJ-SECBINFHSA-N 0 0 236.267 2.164 10 0 BEAERN CCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000048850404 136372748 /nfs/dbraw/zinc/37/27/48/136372748.db2.gz VUSSPBAFINQCTQ-SECBINFHSA-N 0 0 210.277 2.358 10 0 BEAERN c1coc(CNCc2nc3ccccc3[nH]2)c1 ZINC000043258456 343466819 /nfs/dbraw/zinc/46/68/19/343466819.db2.gz WPESWRAVHURKRI-UHFFFAOYSA-N 0 0 227.267 2.446 10 0 BEAERN Cc1ccc2sc(COCCO)nc2c1 ZINC000045238114 343527214 /nfs/dbraw/zinc/52/72/14/343527214.db2.gz QLOYXUIVCQDIRC-UHFFFAOYSA-N 0 0 223.297 2.114 10 0 BEAERN CCOC(=O)Cc1ccc(C(C)=O)c(OC)c1 ZINC000139425911 343528848 /nfs/dbraw/zinc/52/88/48/343528848.db2.gz BOGSCTFXCVMCFW-UHFFFAOYSA-N 0 0 236.267 2.003 10 0 BEAERN CC(C)(C)OC(=O)NCCc1ccc[nH]1 ZINC000045802959 343534569 /nfs/dbraw/zinc/53/45/69/343534569.db2.gz WAECOGXXHGHRNF-UHFFFAOYSA-N 0 0 210.277 2.082 10 0 BEAERN CC[C@H]1CCN(C(N)=O)c2ccccc21 ZINC000616676760 343535755 /nfs/dbraw/zinc/53/57/55/343535755.db2.gz XKXPRLVPQDEWJQ-VIFPVBQESA-N 0 0 204.273 2.469 10 0 BEAERN C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCS1 ZINC000379531136 343571844 /nfs/dbraw/zinc/57/18/44/343571844.db2.gz CWFHULBLGHBLBB-YFKTTZPYSA-N 0 0 239.384 2.387 10 0 BEAERN c1cc(N2CCOCC2)ccc1C1CCOCC1 ZINC000204319098 343564019 /nfs/dbraw/zinc/56/40/19/343564019.db2.gz KWDJDNNZVUUXJM-UHFFFAOYSA-N 0 0 247.338 2.417 10 0 BEAERN CC(C)(C)[S@@](=O)Cc1ccccc1N ZINC000040966514 187264344 /nfs/dbraw/zinc/26/43/44/187264344.db2.gz WHWJJSBUQMFJHZ-CQSZACIVSA-N 0 0 211.330 2.316 10 0 BEAERN OCc1cccnc1N1CCc2ccccc21 ZINC000040864604 187264742 /nfs/dbraw/zinc/26/47/42/187264742.db2.gz QSRKFXMPGYHEIP-UHFFFAOYSA-N 0 0 226.279 2.268 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CCCCC(=O)C1 ZINC000083324177 343579070 /nfs/dbraw/zinc/57/90/70/343579070.db2.gz GQWFMCBUKYHHSW-SECBINFHSA-N 0 0 227.304 2.413 10 0 BEAERN Nc1ccc(SC[C@H]2CCOC2)cc1 ZINC000042375697 187265760 /nfs/dbraw/zinc/26/57/60/187265760.db2.gz JJHLQHNTJGBQCP-VIFPVBQESA-N 0 0 209.314 2.397 10 0 BEAERN CCn1ccnc1[C@H]1NCCc2ccsc21 ZINC000712501088 537786869 /nfs/dbraw/zinc/78/68/69/537786869.db2.gz KZLBDXAZWXNQHS-JTQLQIEISA-N 0 0 233.340 2.200 10 0 BEAERN Nc1cc(-c2ccccc2)nc(=S)[nH]1 ZINC000041211707 187264539 /nfs/dbraw/zinc/26/45/39/187264539.db2.gz KTXURNNQXZMZJX-UHFFFAOYSA-N 0 0 203.270 2.388 10 0 BEAERN CNc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000168347106 343616220 /nfs/dbraw/zinc/61/62/20/343616220.db2.gz DTOHVTCOTIWIGD-UHFFFAOYSA-N 0 0 218.178 2.229 10 0 BEAERN FC1(F)CCN(c2[nH]nc3cnccc32)CC1 ZINC000205176248 343618929 /nfs/dbraw/zinc/61/89/29/343618929.db2.gz NXGVVUVNAJKLHO-UHFFFAOYSA-N 0 0 238.241 2.193 10 0 BEAERN Cc1cc(Br)ccc1[C@H](C)NN ZINC000127149561 343621102 /nfs/dbraw/zinc/62/11/02/343621102.db2.gz ZVYBWTCCUAJVEY-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN OC[C@H]1[C@H](F)[C@@H]1c1ccc(Br)cc1 ZINC000204991456 343612190 /nfs/dbraw/zinc/61/21/90/343612190.db2.gz VAQYGNRFHCWPCW-BBBLOLIVSA-N 0 0 245.091 2.493 10 0 BEAERN O=c1[nH]c(-c2ccccc2)cn2cc(F)cc12 ZINC000205290314 343622532 /nfs/dbraw/zinc/62/25/32/343622532.db2.gz VZRDRTPYSGHYFW-UHFFFAOYSA-N 0 0 228.226 2.434 10 0 BEAERN COC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000205281785 343622575 /nfs/dbraw/zinc/62/25/75/343622575.db2.gz YQNAUGYENARGLY-SECBINFHSA-N 0 0 239.702 2.339 10 0 BEAERN CCOC(=O)C[C@@H](C)c1ccc(CO)cc1 ZINC000169074643 343623040 /nfs/dbraw/zinc/62/30/40/343623040.db2.gz IJEWCVXALGUDKQ-SNVBAGLBSA-N 0 0 222.284 2.236 10 0 BEAERN CCCC(=O)OC[C@@H](CC)OC(=O)CCC ZINC000196120882 343628714 /nfs/dbraw/zinc/62/87/14/343628714.db2.gz AVZOSLAMXFBKLO-SNVBAGLBSA-N 0 0 230.304 2.452 10 0 BEAERN C[C@H](O)c1cc(C(F)(F)F)ccc1N ZINC000157784848 343631400 /nfs/dbraw/zinc/63/14/00/343631400.db2.gz BUGOFPPDMRLVDY-YFKPBYRVSA-N 0 0 205.179 2.341 10 0 BEAERN CCOC(=O)C[C@H]1CCc2ccccc2C1=O ZINC000196436125 343631407 /nfs/dbraw/zinc/63/14/07/343631407.db2.gz UXHVZHOONBSRIY-LLVKDONJSA-N 0 0 232.279 2.385 10 0 BEAERN C[C@@H](O)c1cc(C(F)(F)F)ccc1N ZINC000157784990 343632305 /nfs/dbraw/zinc/63/23/05/343632305.db2.gz BUGOFPPDMRLVDY-RXMQYKEDSA-N 0 0 205.179 2.341 10 0 BEAERN C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379926963 343656056 /nfs/dbraw/zinc/65/60/56/343656056.db2.gz LXTWBMBUDRWFLS-QUARPLMYSA-N 0 0 225.357 2.043 10 0 BEAERN OCc1cccc2c1CCc1ccccc1[C@@H]2O ZINC000166534386 343670386 /nfs/dbraw/zinc/67/03/86/343670386.db2.gz ZJRVXLIJVVBKAF-INIZCTEOSA-N 0 0 240.302 2.359 10 0 BEAERN Cc1ccc(CN(C)CC(=O)c2cccn2C)o1 ZINC000048934541 187269258 /nfs/dbraw/zinc/26/92/58/187269258.db2.gz RVBSXGMSKZZSFY-UHFFFAOYSA-N 0 0 246.310 2.241 10 0 BEAERN Nc1c(Cl)cnn1Cc1ccsc1 ZINC000043665269 343696715 /nfs/dbraw/zinc/69/67/15/343696715.db2.gz XVBNKYYUFHRFMH-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CCCCS(=O)(=O)c1ncccc1Cl ZINC000058611589 343701467 /nfs/dbraw/zinc/70/14/67/343701467.db2.gz JGPXVAKHQMLEEA-UHFFFAOYSA-N 0 0 233.720 2.309 10 0 BEAERN CCCCOc1cc(C)nc(NCC)n1 ZINC000058825798 343702578 /nfs/dbraw/zinc/70/25/78/343702578.db2.gz MZEDVZBFHWOQBD-UHFFFAOYSA-N 0 0 209.293 2.396 10 0 BEAERN Cn1cc(N)c(-c2cccc(Cl)c2)n1 ZINC000107149231 343706002 /nfs/dbraw/zinc/70/60/02/343706002.db2.gz YCALNBLEXIYHNN-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN Cn1cc(N)c(-c2ccccc2Cl)n1 ZINC000107149229 343706118 /nfs/dbraw/zinc/70/61/18/343706118.db2.gz PGQCKHPBPXMMFY-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CCOC(=O)/C=C/COC(=O)OC(C)(C)C ZINC000199342390 343688339 /nfs/dbraw/zinc/68/83/39/343688339.db2.gz GGDFSBLYCXIJBS-VOTSOKGWSA-N 0 0 230.260 2.057 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC(C)(C)C[C@H]2C ZINC000300060619 537803257 /nfs/dbraw/zinc/80/32/57/537803257.db2.gz FRNCQSFJBCZYLO-PTRXPTGYSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)CCSC1Cc2ccccc2C1 ZINC000127254306 343721331 /nfs/dbraw/zinc/72/13/31/343721331.db2.gz JXNVBAGNJTZKJF-UHFFFAOYSA-N 0 0 236.336 2.450 10 0 BEAERN Cc1nn(C)c(SC2CCCC2)c1N ZINC000062829171 343745261 /nfs/dbraw/zinc/74/52/61/343745261.db2.gz CDGAPABEVKAKOU-UHFFFAOYSA-N 0 0 211.334 2.345 10 0 BEAERN CSc1nc(=NN)[nH]c2sc(C)cc21 ZINC000235072511 343732006 /nfs/dbraw/zinc/73/20/06/343732006.db2.gz HQZVGJWOWYXNKX-UHFFFAOYSA-N 0 0 226.330 2.007 10 0 BEAERN CN(c1ccccc1N)[C@@H]1CCSC1 ZINC000037174420 343778255 /nfs/dbraw/zinc/77/82/55/343778255.db2.gz OLQMQXFEOOYTNA-SECBINFHSA-N 0 0 208.330 2.211 10 0 BEAERN O=Cc1cnn(Cc2cccc(Cl)c2)c1 ZINC000054716164 343750361 /nfs/dbraw/zinc/75/03/61/343750361.db2.gz VNMUCUHVCMOVOV-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN C/C=C/C=C/C(=O)N(CCO)C1CCCCC1 ZINC000055475569 187271819 /nfs/dbraw/zinc/27/18/19/187271819.db2.gz GOKNPKANZPNFII-XPQLPGEHSA-N 0 0 237.343 2.272 10 0 BEAERN COc1ccccc1[C@H](O)P(=O)(OC)OC ZINC000217799162 343766046 /nfs/dbraw/zinc/76/60/46/343766046.db2.gz UPJVDQVHFSKCRG-SNVBAGLBSA-N 0 0 246.199 2.172 10 0 BEAERN CON(C)C(=O)c1ncc(C(C)(C)C)s1 ZINC000217800838 343766297 /nfs/dbraw/zinc/76/62/97/343766297.db2.gz JWAIQSXGRWUPLJ-UHFFFAOYSA-N 0 0 228.317 2.074 10 0 BEAERN COc1ccc(OCCc2cccnc2)c(N)c1 ZINC000063221482 187273825 /nfs/dbraw/zinc/27/38/25/187273825.db2.gz HJVGSZGMCZFMGC-UHFFFAOYSA-N 0 0 244.294 2.294 10 0 BEAERN Clc1cc(NCCc2ccncc2)ncn1 ZINC000048631301 343782065 /nfs/dbraw/zinc/78/20/65/343782065.db2.gz DNDHLFJHDCYNJQ-UHFFFAOYSA-N 0 0 234.690 2.180 10 0 BEAERN Clc1cc(NCCc2ccccn2)ncn1 ZINC000040431956 343784037 /nfs/dbraw/zinc/78/40/37/343784037.db2.gz OXTCWBQECYLQHV-UHFFFAOYSA-N 0 0 234.690 2.180 10 0 BEAERN C1CC[C@H](c2[nH]nc3c2CCCC3)[NH2+]C1 ZINC000107242182 343785782 /nfs/dbraw/zinc/78/57/82/343785782.db2.gz WVKPIHGWEVUJAW-LLVKDONJSA-N 0 0 205.305 2.103 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616613462 349863283 /nfs/dbraw/zinc/86/32/83/349863283.db2.gz ZTNKGUMTXXEFOQ-CYBMUJFWSA-N 0 0 249.310 2.472 10 0 BEAERN Clc1nccc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000132126572 343788372 /nfs/dbraw/zinc/78/83/72/343788372.db2.gz ZIUQZEALAWEPEL-RKDXNWHRSA-N 0 0 223.707 2.366 10 0 BEAERN Clc1nccc(NCCn2cccc2)n1 ZINC000308887720 343790703 /nfs/dbraw/zinc/79/07/03/343790703.db2.gz USWFXUXRVZCFDX-UHFFFAOYSA-N 0 0 222.679 2.044 10 0 BEAERN CCOC[C@@H]1CCCCN1c1ccc(N)cn1 ZINC000313271539 343791497 /nfs/dbraw/zinc/79/14/97/343791497.db2.gz OONVNBLZBROUCP-LBPRGKRZSA-N 0 0 235.331 2.059 10 0 BEAERN Cc1ccc([C@@H]2C[C@H](C(=O)[O-])C[N@H+]2C)cc1 ZINC000212764761 343791707 /nfs/dbraw/zinc/79/17/07/343791707.db2.gz PMZAEKUGYPJACC-RYUDHWBXSA-N 0 0 219.284 2.072 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCC[C@H](C(C)C)C2 ZINC000300235547 537814748 /nfs/dbraw/zinc/81/47/48/537814748.db2.gz CCKXHDJBYXNPNK-JBLDHEPKSA-N 0 0 212.289 2.143 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000409427153 343800084 /nfs/dbraw/zinc/80/00/84/343800084.db2.gz HREFKYSMHFBDLD-RYUDHWBXSA-N 0 0 234.299 2.082 10 0 BEAERN COc1cc(C)ccc1-c1ccc(=O)[nH]n1 ZINC000409427674 343801785 /nfs/dbraw/zinc/80/17/85/343801785.db2.gz BMBAPWALPAYHCA-UHFFFAOYSA-N 0 0 216.240 2.166 10 0 BEAERN Fc1cc(N2CCC(F)(F)CC2)ccn1 ZINC000404751055 343811969 /nfs/dbraw/zinc/81/19/69/343811969.db2.gz WJVRJAJNGBAFHK-UHFFFAOYSA-N 0 0 216.206 2.456 10 0 BEAERN O=Cc1cncn1Cc1cc(F)cc(F)c1 ZINC000409422883 343814359 /nfs/dbraw/zinc/81/43/59/343814359.db2.gz LQCLHTYHIHMJNQ-UHFFFAOYSA-N 0 0 222.194 2.022 10 0 BEAERN OCc1cn(C2CCCCCCC2)nn1 ZINC000409424840 343817571 /nfs/dbraw/zinc/81/75/71/343817571.db2.gz YRLWIMMNCLYFFK-UHFFFAOYSA-N 0 0 209.293 2.056 10 0 BEAERN C[C@H]1C[C@@H](n2cc(C[NH3+])nn2)CC(C)(C)C1 ZINC000409424843 343817815 /nfs/dbraw/zinc/81/78/15/343817815.db2.gz YTNQRUFEROSFOQ-GXSJLCMTSA-N 0 0 222.336 2.124 10 0 BEAERN Nc1cccnc1N1CCC(CCF)CC1 ZINC000409425144 343818143 /nfs/dbraw/zinc/81/81/43/343818143.db2.gz FEWMNNPXDVHYGV-UHFFFAOYSA-N 0 0 223.295 2.240 10 0 BEAERN C[C@H](O)[C@@H]1CCCCN1c1ccccc1N ZINC000409425652 343819999 /nfs/dbraw/zinc/81/99/99/343819999.db2.gz GJKPMECVBWCQRM-JQWIXIFHSA-N 0 0 220.316 2.009 10 0 BEAERN O=Cc1cc2n(n1)C[C@H](c1ccsc1)OC2 ZINC000409426131 343821561 /nfs/dbraw/zinc/82/15/61/343821561.db2.gz DCZIBOGWJDYYNC-LLVKDONJSA-N 0 0 234.280 2.029 10 0 BEAERN O=c1ccc(N2CCC[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000409426200 343821755 /nfs/dbraw/zinc/82/17/55/343821755.db2.gz DQHRMRMVTSQGIQ-WDEREUQCSA-N 0 0 233.315 2.341 10 0 BEAERN CNc1ncccc1Cn1c(C)c(C)sc1=O ZINC000071351864 187275357 /nfs/dbraw/zinc/27/53/57/187275357.db2.gz RKFPZOBIEFQDAN-UHFFFAOYSA-N 0 0 249.339 2.012 10 0 BEAERN Cc1nc(Cc2ccsc2)cc(=O)[nH]1 ZINC000409431446 343823312 /nfs/dbraw/zinc/82/33/12/343823312.db2.gz QOZVIDMTCYIFHR-UHFFFAOYSA-N 0 0 206.270 2.143 10 0 BEAERN Cc1cccc(Cc2cc(=O)[nH]c(C)n2)c1 ZINC000409432823 343828005 /nfs/dbraw/zinc/82/80/05/343828005.db2.gz YCHBNCFHARMNJS-UHFFFAOYSA-N 0 0 214.268 2.390 10 0 BEAERN O=C([O-])C1CCC([N@@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000409429841 343806639 /nfs/dbraw/zinc/80/66/39/343806639.db2.gz PLFXAGKMSXKDLM-HWOCKDDLSA-N 0 0 247.285 2.217 10 0 BEAERN COC(=N)CCc1c(C)[nH]nc1CC(C)C ZINC000409441092 343855172 /nfs/dbraw/zinc/85/51/72/343855172.db2.gz QGKMGMLKACCUCM-UHFFFAOYSA-N 0 0 223.320 2.473 10 0 BEAERN CCCc1ncc(Br)cn1 ZINC000072191989 187277020 /nfs/dbraw/zinc/27/70/20/187277020.db2.gz SYGIQLBGAPXBJR-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN OCCc1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409441307 343856217 /nfs/dbraw/zinc/85/62/17/343856217.db2.gz QTQOQQXXULQXKP-UHFFFAOYSA-N 0 0 218.256 2.082 10 0 BEAERN CN(C)Nc1cc(Br)c(F)cc1N ZINC000159056468 346995071 /nfs/dbraw/zinc/99/50/71/346995071.db2.gz ANPREQIIYOLEFL-UHFFFAOYSA-N 0 0 248.099 2.059 10 0 BEAERN CCN(c1nccnc1Cl)[C@H]1CCSC1 ZINC000409435332 343833274 /nfs/dbraw/zinc/83/32/74/343833274.db2.gz UEJPJTHYIFXJSH-QMMMGPOBSA-N 0 0 243.763 2.462 10 0 BEAERN OCCn1nc(-c2cccs2)c2c1CCCC2 ZINC000409440900 343856736 /nfs/dbraw/zinc/85/67/36/343856736.db2.gz VMXQLDVSVWOJIT-UHFFFAOYSA-N 0 0 248.351 2.483 10 0 BEAERN CCn1cc(CCO)c(-c2cccs2)n1 ZINC000409437547 343840587 /nfs/dbraw/zinc/84/05/87/343840587.db2.gz HZIRPPGLHQEORO-UHFFFAOYSA-N 0 0 222.313 2.166 10 0 BEAERN Cc1ccc(C)c(-c2cc(=S)[nH]c(=O)n2C)c1 ZINC000409436926 343841682 /nfs/dbraw/zinc/84/16/82/343841682.db2.gz AILFYVFQLJJTSZ-UHFFFAOYSA-N 0 0 246.335 2.353 10 0 BEAERN Nc1cc([C@H](N)C(F)(F)F)ccc1Cl ZINC000072194944 187276604 /nfs/dbraw/zinc/27/66/04/187276604.db2.gz SKFSHRAQHMDBCE-ZETCQYMHSA-N 0 0 224.613 2.484 10 0 BEAERN CNc1cc(N2[C@H](C)CCC[C@H]2C)ncn1 ZINC000409438402 343843763 /nfs/dbraw/zinc/84/37/63/343843763.db2.gz MPMDXUDCKUMFEH-NXEZZACHSA-N 0 0 220.320 2.286 10 0 BEAERN Cc1nn(C)c2c1[C@H](CO)C[C@H](C(C)(C)C)N2 ZINC000409438555 343844914 /nfs/dbraw/zinc/84/49/14/343844914.db2.gz DAEMVKNOWWFJHC-VHSXEESVSA-N 0 0 237.347 2.035 10 0 BEAERN OCc1c(-c2ccccc2)n[nH]c1C1CC1 ZINC000409438727 343844945 /nfs/dbraw/zinc/84/49/45/343844945.db2.gz FIRGWEIUAPDHFC-UHFFFAOYSA-N 0 0 214.268 2.446 10 0 BEAERN O=Cc1c(C2CC2)[nH]nc1C(F)(F)F ZINC000409438836 343845458 /nfs/dbraw/zinc/84/54/58/343845458.db2.gz GDTICBJHMYBJLF-UHFFFAOYSA-N 0 0 204.151 2.118 10 0 BEAERN CC(C)Cn1cc(CO)c(-c2ccccn2)n1 ZINC000409438812 343845501 /nfs/dbraw/zinc/84/55/01/343845501.db2.gz MMSSLNCELFZVID-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN OCCc1c(C2CC2)[nH]nc1C1CCCC1 ZINC000409439119 343846521 /nfs/dbraw/zinc/84/65/21/343846521.db2.gz HBGBLQSYCWNQLB-UHFFFAOYSA-N 0 0 220.316 2.480 10 0 BEAERN COC(=N)CCc1c[nH]nc1-c1cccnc1 ZINC000409439494 343847454 /nfs/dbraw/zinc/84/74/54/343847454.db2.gz IOWRWFUEVZQWHL-UHFFFAOYSA-N 0 0 230.271 2.028 10 0 BEAERN COC(=O)[C@@H](C)n1nc(C2CC2)cc1C1CC1 ZINC000409439464 343847593 /nfs/dbraw/zinc/84/75/93/343847593.db2.gz IBTRIDAPGLKAOV-MRVPVSSYSA-N 0 0 234.299 2.372 10 0 BEAERN COC(=O)c1cn(CC2CC2)nc1C(F)(F)F ZINC000409437822 343848992 /nfs/dbraw/zinc/84/89/92/343848992.db2.gz JCBKBCCFICAGMO-UHFFFAOYSA-N 0 0 248.204 2.099 10 0 BEAERN OCCc1cn(CCF)nc1-c1ccccc1 ZINC000409437812 343849011 /nfs/dbraw/zinc/84/90/11/343849011.db2.gz JAGLWLLBMGHJDT-UHFFFAOYSA-N 0 0 234.274 2.054 10 0 BEAERN C[C@@H](O)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000409438196 343849752 /nfs/dbraw/zinc/84/97/52/343849752.db2.gz CKQASYUPWFHVPW-RXMQYKEDSA-N 0 0 224.647 2.042 10 0 BEAERN CCn1ccn2nc(C(F)(F)F)cc12 ZINC000409440147 343850873 /nfs/dbraw/zinc/85/08/73/343850873.db2.gz WAXOUMPFULMJEX-UHFFFAOYSA-N 0 0 203.167 2.175 10 0 BEAERN COC(=O)c1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409440315 343851590 /nfs/dbraw/zinc/85/15/90/343851590.db2.gz MJTOBFBGCJMGAB-UHFFFAOYSA-N 0 0 232.239 2.334 10 0 BEAERN Cc1sccc1C(=O)c1cnsn1 ZINC000227887208 347004262 /nfs/dbraw/zinc/00/42/62/347004262.db2.gz HCMMTQGPYQBFCD-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CC[C@@H](C(=O)C1CCC1)C(OC)OC ZINC000322978799 537829544 /nfs/dbraw/zinc/82/95/44/537829544.db2.gz YQRUGNGADAYNKS-VIFPVBQESA-N 0 0 200.278 2.001 10 0 BEAERN Nc1cc(-c2ccsc2)nn1C[C@@H]1CCCO1 ZINC000409441468 343859554 /nfs/dbraw/zinc/85/95/54/343859554.db2.gz YGHWPFFTJVPUJQ-JTQLQIEISA-N 0 0 249.339 2.373 10 0 BEAERN CC(C)c1[nH]nc(C(F)(F)F)c1C=O ZINC000409441862 343861571 /nfs/dbraw/zinc/86/15/71/343861571.db2.gz UGJNDIHZGGLANI-UHFFFAOYSA-N 0 0 206.167 2.364 10 0 BEAERN OCc1cc(-c2ccccc2)nn1CCF ZINC000409443693 343862195 /nfs/dbraw/zinc/86/21/95/343862195.db2.gz RRXWHQTVMSFSOV-UHFFFAOYSA-N 0 0 220.247 2.012 10 0 BEAERN O=Cc1cc(C(F)(F)F)nn1C(F)F ZINC000409442955 343865102 /nfs/dbraw/zinc/86/51/02/343865102.db2.gz DQEFXQCWPCTORJ-UHFFFAOYSA-N 0 0 214.093 2.110 10 0 BEAERN NC(=O)c1cc(-c2cccs2)nn1CC1CC1 ZINC000409442913 343865285 /nfs/dbraw/zinc/86/52/85/343865285.db2.gz DBEHRHCAKXHDJU-UHFFFAOYSA-N 0 0 247.323 2.121 10 0 BEAERN CCCCc1cc(C(=O)OCC)nc(C)n1 ZINC000575622116 343868682 /nfs/dbraw/zinc/86/86/82/343868682.db2.gz GCAGFBOHHOSJGE-UHFFFAOYSA-N 0 0 222.288 2.304 10 0 BEAERN CCOC(=O)c1cc(Cc2ccsc2)ncn1 ZINC000575621984 343870311 /nfs/dbraw/zinc/87/03/11/343870311.db2.gz BYZBZNBRBXGVSF-UHFFFAOYSA-N 0 0 248.307 2.306 10 0 BEAERN Cc1c(N)cnn1CC[C@H]1C[C@@H]1C1CC1 ZINC000714785470 537832015 /nfs/dbraw/zinc/83/20/15/537832015.db2.gz XCURRFOJVMJGHA-WDEREUQCSA-N 0 0 205.305 2.210 10 0 BEAERN CCOC(=O)c1cc(C(F)F)nc(C2CC2)n1 ZINC000575622730 343874784 /nfs/dbraw/zinc/87/47/84/343874784.db2.gz SGVCOLJJOUAHIJ-UHFFFAOYSA-N 0 0 242.225 2.468 10 0 BEAERN CC(C)CCOCCn1cc(Cl)c(N)n1 ZINC000069759597 537832217 /nfs/dbraw/zinc/83/22/17/537832217.db2.gz NZCMLFTUFSMXOX-UHFFFAOYSA-N 0 0 231.727 2.181 10 0 BEAERN CN(CC(F)F)c1nc(F)c(F)cc1F ZINC000234290158 343936398 /nfs/dbraw/zinc/93/63/98/343936398.db2.gz FEVZZRYCQLNUOW-UHFFFAOYSA-N 0 0 226.148 2.200 10 0 BEAERN Brc1cccc(COC2COC2)c1 ZINC000165604810 343937258 /nfs/dbraw/zinc/93/72/58/343937258.db2.gz FQYCKQPBLVLZTC-UHFFFAOYSA-N 0 0 243.100 2.365 10 0 BEAERN COc1ccc(CN(C)C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075982529 187279367 /nfs/dbraw/zinc/27/93/67/187279367.db2.gz ZBNLMCQANFQRSK-GXFFZTMASA-N 0 0 248.326 2.245 10 0 BEAERN CCn1cc([C@H]2NCC[C@H](C)S2)cn1 ZINC000234257634 343921158 /nfs/dbraw/zinc/92/11/58/343921158.db2.gz YVPFWGIUFOELHT-WPRPVWTQSA-N 0 0 211.334 2.017 10 0 BEAERN C[C@H](O)C(C)(C)Nc1nc(Cl)cs1 ZINC000128441800 347017197 /nfs/dbraw/zinc/01/71/97/347017197.db2.gz QIVYVZHGLDDAOY-YFKPBYRVSA-N 0 0 220.725 2.368 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1ccc(C=O)s1 ZINC000070609254 343952788 /nfs/dbraw/zinc/95/27/88/343952788.db2.gz FZOBWULBKKJWMR-BDAKNGLRSA-N 0 0 225.313 2.174 10 0 BEAERN Cc1cc(N)ccc1C(=O)c1ccco1 ZINC000070651712 343953226 /nfs/dbraw/zinc/95/32/26/343953226.db2.gz BWQYKVFNKFRBBN-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN CC(=O)c1cnc([C@@H]2CSCCN2C)s1 ZINC000234363325 343954256 /nfs/dbraw/zinc/95/42/56/343954256.db2.gz CHNVZQQBYOYZTQ-QMMMGPOBSA-N 0 0 242.369 2.065 10 0 BEAERN OC[C@@H]1Cc2ccc3ccccc3c2O1 ZINC000166821331 343957485 /nfs/dbraw/zinc/95/74/85/343957485.db2.gz GPCYERQCAVBGNO-NSHDSACASA-N 0 0 200.237 2.136 10 0 BEAERN CN1c2ccccc2C(CO)=CC1(C)C ZINC000072417608 343958166 /nfs/dbraw/zinc/95/81/66/343958166.db2.gz LTXVAIGMAOAQIY-UHFFFAOYSA-N 0 0 203.285 2.291 10 0 BEAERN Cc1cc(C)n2nc(NCCC(C)C)nc2n1 ZINC000072417600 343958180 /nfs/dbraw/zinc/95/81/80/343958180.db2.gz OVYIXVNHBAICCY-UHFFFAOYSA-N 0 0 233.319 2.199 10 0 BEAERN CC(C)(C)Cc1nnc(Br)o1 ZINC000157860071 344053437 /nfs/dbraw/zinc/05/34/37/344053437.db2.gz RBEUULVPUHXNKT-UHFFFAOYSA-N 0 0 219.082 2.421 10 0 BEAERN C/C=C/CNc1ccc(S(C)(=O)=O)cc1 ZINC000220143226 344057830 /nfs/dbraw/zinc/05/78/30/344057830.db2.gz JUYUXHCDUWBITL-ONEGZZNKSA-N 0 0 225.313 2.078 10 0 BEAERN Cc1cccc(O)c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000625735177 344061212 /nfs/dbraw/zinc/06/12/12/344061212.db2.gz VOGMVGPKODQXAM-QWRGUYRKSA-N 0 0 231.295 2.325 10 0 BEAERN COc1ccc(O)c(OC(F)(F)F)c1 ZINC000142080614 344064232 /nfs/dbraw/zinc/06/42/32/344064232.db2.gz FVNPDTCMRRLXQT-UHFFFAOYSA-N 0 0 208.135 2.299 10 0 BEAERN Cn1nccc1CCC(=O)Nc1ccsc1 ZINC000129818962 344065736 /nfs/dbraw/zinc/06/57/36/344065736.db2.gz FVXWWGFSDKUWFW-UHFFFAOYSA-N 0 0 235.312 2.053 10 0 BEAERN CCOc1cc(Cl)ccc1C(N)=S ZINC000062788630 347023033 /nfs/dbraw/zinc/02/30/33/347023033.db2.gz PVPBDBLHOBIQOL-UHFFFAOYSA-N 0 0 215.705 2.373 10 0 BEAERN CCOC(=O)CC[C@@H](O)c1ccccc1 ZINC000014503179 347026196 /nfs/dbraw/zinc/02/61/96/347026196.db2.gz JUIBZVQXJULPCN-LLVKDONJSA-N 0 0 208.257 2.063 10 0 BEAERN Brc1ccc(-c2cccnn2)nc1 ZINC000306236916 344083299 /nfs/dbraw/zinc/08/32/99/344083299.db2.gz OAEXBVBQEDGQDD-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN O[C@H](CC(F)(F)F)c1ccncc1F ZINC000157406769 344088584 /nfs/dbraw/zinc/08/85/84/344088584.db2.gz VOFXJZYPYXFDAB-SSDOTTSWSA-N 0 0 209.142 2.207 10 0 BEAERN CCOC(=O)c1nc(NC(C)C)sc1C ZINC000126462677 344178676 /nfs/dbraw/zinc/17/86/76/344178676.db2.gz PBHJCNUQCJOYOF-UHFFFAOYSA-N 0 0 228.317 2.449 10 0 BEAERN Brc1ncccc1-c1ncco1 ZINC000095709609 187287992 /nfs/dbraw/zinc/28/79/92/187287992.db2.gz ODNDERNKNLTIFJ-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN CCC[NH2+][C@H](c1ocnc1C(=O)[O-])C(C)C ZINC000616569958 344172095 /nfs/dbraw/zinc/17/20/95/344172095.db2.gz ZBSRXDULIGOUKA-QMMMGPOBSA-N 0 0 226.276 2.070 10 0 BEAERN CC(C)CCOCCNC(=O)N[C@@H](C)C(C)C ZINC000127301702 344124773 /nfs/dbraw/zinc/12/47/73/344124773.db2.gz NCYZWNRYWBJEBN-LBPRGKRZSA-N 0 0 244.379 2.393 10 0 BEAERN CC(C)CCOCCNC(=O)N[C@H](C)C(C)C ZINC000127301883 344124812 /nfs/dbraw/zinc/12/48/12/344124812.db2.gz NCYZWNRYWBJEBN-GFCCVEGCSA-N 0 0 244.379 2.393 10 0 BEAERN CC(C)Cc1nc(Br)ns1 ZINC000230108581 344128601 /nfs/dbraw/zinc/12/86/01/344128601.db2.gz JKPCIBCBHGZHKM-UHFFFAOYSA-N 0 0 221.123 2.499 10 0 BEAERN O=C([O-])[C@]1(C/C=C\c2ccccc2)CCC[NH2+]1 ZINC000095934492 187288462 /nfs/dbraw/zinc/28/84/62/187288462.db2.gz DLUNFQZLCPXMBC-VCDPDADVSA-N 0 0 231.295 2.297 10 0 BEAERN CCC(=O)Nc1ccc(C(=O)OC)cc1Cl ZINC000215960474 344136785 /nfs/dbraw/zinc/13/67/85/344136785.db2.gz ZGJAXYQQFMKFOI-UHFFFAOYSA-N 0 0 241.674 2.475 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2cccnc2C1 ZINC000095933663 187288868 /nfs/dbraw/zinc/28/88/68/187288868.db2.gz JDIZUVIYUJNAGP-UHFFFAOYSA-N 0 0 234.299 2.375 10 0 BEAERN COC(=O)C=CNc1ccc(F)c(C)c1 ZINC000234600127 344155348 /nfs/dbraw/zinc/15/53/48/344155348.db2.gz JGNBSTJKZSYEKL-AATRIKPKSA-N 0 0 209.220 2.233 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@](C)(O)C1 ZINC000217776069 344207243 /nfs/dbraw/zinc/20/72/43/344207243.db2.gz MMMVAIAUVIUSBN-CABZTGNLSA-N 0 0 229.320 2.205 10 0 BEAERN Cc1[nH]c(=O)cc2c1C[C@H](c1ccncc1)CC2 ZINC000027102171 344218481 /nfs/dbraw/zinc/21/84/81/344218481.db2.gz DEDDWQBSSLVMOJ-GFCCVEGCSA-N 0 0 240.306 2.351 10 0 BEAERN CCc1csc(N[C@@H](C)[C@H](C)CO)n1 ZINC000130602552 344222809 /nfs/dbraw/zinc/22/28/09/344222809.db2.gz FTDKRZBRDJJUSE-SFYZADRCSA-N 0 0 214.334 2.134 10 0 BEAERN CCC1(C)CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000381950035 347036992 /nfs/dbraw/zinc/03/69/92/347036992.db2.gz AYJOSFHXBAYITB-JGPRNRPPSA-N 0 0 207.317 2.291 10 0 BEAERN COc1ccc([C@@H]2CCC[C@H]2O)c(OC)c1 ZINC000055233033 259374115 /nfs/dbraw/zinc/37/41/15/259374115.db2.gz APENRJFZANKMHC-CMPLNLGQSA-N 0 0 222.284 2.332 10 0 BEAERN CCN(Cc1ccccn1)C(=O)N[C@H]1C[C@@H]1C ZINC000084156933 344188869 /nfs/dbraw/zinc/18/88/69/344188869.db2.gz UMFQTZRYBVGNJD-JQWIXIFHSA-N 0 0 233.315 2.022 10 0 BEAERN COc1n[nH]c(N)c1-c1cccc(Cl)c1 ZINC000616575558 344192341 /nfs/dbraw/zinc/19/23/41/344192341.db2.gz AYLLJPDJOMDXGV-UHFFFAOYSA-N 0 0 223.663 2.321 10 0 BEAERN COC(=O)CCC(=O)c1cc(F)c(F)cc1F ZINC000234685775 344196637 /nfs/dbraw/zinc/19/66/37/344196637.db2.gz GHMTXUWXDATXFE-UHFFFAOYSA-N 0 0 246.184 2.240 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1cc(C)ccn1 ZINC000217560572 344201160 /nfs/dbraw/zinc/20/11/60/344201160.db2.gz AFHBEXJYAOZYNK-UWVGGRQHSA-N 0 0 205.257 2.057 10 0 BEAERN Cc1csc(C[C@]2(O)C=CCCC2)n1 ZINC000165942618 344245510 /nfs/dbraw/zinc/24/55/10/344245510.db2.gz NBIZLVVYXCMSHN-NSHDSACASA-N 0 0 209.314 2.465 10 0 BEAERN COC1CC(Nc2cccc(Cl)n2)C1 ZINC000234769435 344247295 /nfs/dbraw/zinc/24/72/95/344247295.db2.gz XPGADTPJCSDYRW-UHFFFAOYSA-N 0 0 212.680 2.324 10 0 BEAERN CC(C)(C)c1ccnc(N2CCC[C@H]2CO)c1 ZINC000641344168 362372364 /nfs/dbraw/zinc/37/23/64/362372364.db2.gz JLHLDCIJWQADCA-LBPRGKRZSA-N 0 0 234.343 2.340 10 0 BEAERN COc1ccc2c(c1Cl)C(=O)NC[C@@H]2C ZINC000219205023 344267329 /nfs/dbraw/zinc/26/73/29/344267329.db2.gz ZITIMAWTRRTLLP-LURJTMIESA-N 0 0 225.675 2.196 10 0 BEAERN CC(=O)O[C@@H]1CCc2ccc(Cl)nc21 ZINC000142238444 344268392 /nfs/dbraw/zinc/26/83/92/344268392.db2.gz SFTUBLQXDBFNGZ-MRVPVSSYSA-N 0 0 211.648 2.285 10 0 BEAERN COc1ccc2c(c1Cl)C(=O)NCC2(F)F ZINC000219274565 344271400 /nfs/dbraw/zinc/27/14/00/344271400.db2.gz NFVCMQLNVFDQRY-UHFFFAOYSA-N 0 0 247.628 2.184 10 0 BEAERN Brc1nc(N2CCCCC2)ns1 ZINC000166010556 344272915 /nfs/dbraw/zinc/27/29/15/344272915.db2.gz NNBYXEIZKAXNNJ-UHFFFAOYSA-N 0 0 248.149 2.291 10 0 BEAERN CC(C)Cc1nsc(Br)n1 ZINC000166019500 344275694 /nfs/dbraw/zinc/27/56/94/344275694.db2.gz WZMGCJHULCQFFY-UHFFFAOYSA-N 0 0 221.123 2.499 10 0 BEAERN CCCCOc1cc(N)cc(Cl)n1 ZINC000091364021 344280267 /nfs/dbraw/zinc/28/02/67/344280267.db2.gz MGMHASIDWXPWNL-UHFFFAOYSA-N 0 0 200.669 2.496 10 0 BEAERN C[C@@H](O)c1ccc(-c2ccc(=O)n(C)c2)s1 ZINC000219686740 344288310 /nfs/dbraw/zinc/28/83/10/344288310.db2.gz SOPXBABWAKRLTL-MRVPVSSYSA-N 0 0 235.308 2.167 10 0 BEAERN Clc1cc(Sc2ncco2)ncn1 ZINC000236068335 344293116 /nfs/dbraw/zinc/29/31/16/344293116.db2.gz ZCEMJCOVCSCDFD-UHFFFAOYSA-N 0 0 213.649 2.269 10 0 BEAERN FC1(Cc2ccccc2Br)CNC1 ZINC000158116693 344243318 /nfs/dbraw/zinc/24/33/18/344243318.db2.gz SUBXAJDEPUZNSO-UHFFFAOYSA-N 0 0 244.107 2.303 10 0 BEAERN CC(C)C[C@@H](CO)CNC(=O)OC(C)(C)C ZINC000098210200 187290673 /nfs/dbraw/zinc/29/06/73/187290673.db2.gz WCYJANVXBIHYCS-SNVBAGLBSA-N 0 0 231.336 2.166 10 0 BEAERN Cc1ccc(Cl)cc1-n1nccc1N ZINC000082532969 178660624 /nfs/dbraw/zinc/66/06/24/178660624.db2.gz ORVOTWYZWNRPNZ-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN NC(=CC(=S)N1CCCC1)c1ccccc1 ZINC000100292917 187290607 /nfs/dbraw/zinc/29/06/07/187290607.db2.gz QOKROGLDNGGHJQ-ZRDIBKRKSA-N 0 0 232.352 2.409 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000380581743 344422457 /nfs/dbraw/zinc/42/24/57/344422457.db2.gz IPOCIFZLBHAOGJ-CSYMLDBXSA-N 0 0 207.317 2.289 10 0 BEAERN CCCn1cc(C(=O)C(F)(F)F)cn1 ZINC000061893760 344424530 /nfs/dbraw/zinc/42/45/30/344424530.db2.gz LMLSPKVSJRAGRQ-UHFFFAOYSA-N 0 0 206.167 2.038 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)NCC[C@@H](C)O ZINC000129744340 178662867 /nfs/dbraw/zinc/66/28/67/178662867.db2.gz WBYQIYMAJYWQFA-SECBINFHSA-N 0 0 241.718 2.149 10 0 BEAERN Brc1nc(-c2cncs2)ns1 ZINC000166028572 344394338 /nfs/dbraw/zinc/39/43/38/344394338.db2.gz SGBQEXHVOTXELA-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN CCN(C)c1ccc(C(N)=S)cc1Cl ZINC000062795231 347047978 /nfs/dbraw/zinc/04/79/78/347047978.db2.gz BGWPIZMMGPZFGL-UHFFFAOYSA-N 0 0 228.748 2.430 10 0 BEAERN CC[C@@H](OC)c1nsc(Br)n1 ZINC000166037134 344409370 /nfs/dbraw/zinc/40/93/70/344409370.db2.gz CMIFDZBSJQHGBT-SCSAIBSYSA-N 0 0 237.122 2.398 10 0 BEAERN Brc1nc(-c2ccccn2)ns1 ZINC000166039901 344409415 /nfs/dbraw/zinc/40/94/15/344409415.db2.gz MDVQJDCLNBTVRI-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN O=C(c1ccccc1F)N1CCCSCC1 ZINC000042294548 344449779 /nfs/dbraw/zinc/44/97/79/344449779.db2.gz FBZCVFMORUZYTQ-UHFFFAOYSA-N 0 0 239.315 2.405 10 0 BEAERN O=C(c1cscn1)C1CCSCC1 ZINC000402183412 344452518 /nfs/dbraw/zinc/45/25/18/344452518.db2.gz ZHXBTCQBEYCEHR-UHFFFAOYSA-N 0 0 213.327 2.469 10 0 BEAERN Cc1cc(N)n(Cc2ccc(C)cc2C)n1 ZINC000043664212 178666680 /nfs/dbraw/zinc/66/66/80/178666680.db2.gz XLNNVIAZBBBIRJ-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN Cc1nn(Cc2ccc(C)cc2)c2[nH]nc(N)c12 ZINC000021948760 178667924 /nfs/dbraw/zinc/66/79/24/178667924.db2.gz GQYNREMGCUGNTP-UHFFFAOYSA-N 0 0 241.298 2.007 10 0 BEAERN CO[C@@H]1CC[C@@H](Nc2nsnc2Cl)C1 ZINC000234910790 344472448 /nfs/dbraw/zinc/47/24/48/344472448.db2.gz ADXUIXAFFFMJMD-PHDIDXHHSA-N 0 0 233.724 2.171 10 0 BEAERN CC(C)c1nc(=N[C@@H](C)CCCC[NH3+])s[n-]1 ZINC000381297585 344493397 /nfs/dbraw/zinc/49/33/97/344493397.db2.gz AAVITAQBCMZNKM-VIFPVBQESA-N 0 0 242.392 2.013 10 0 BEAERN Nc1nnc(Sc2ccc(F)cc2)s1 ZINC000306928695 344518624 /nfs/dbraw/zinc/51/86/24/344518624.db2.gz YYWBKMPNHDQUIG-UHFFFAOYSA-N 0 0 227.289 2.411 10 0 BEAERN C[C@H](Nc1cc(Cl)nc(N)n1)c1ccco1 ZINC000043534948 344527033 /nfs/dbraw/zinc/52/70/33/344527033.db2.gz ZTGLURAQZINYLM-LURJTMIESA-N 0 0 238.678 2.478 10 0 BEAERN O=[N+]([O-])c1sccc1N[C@H]1CCC[C@H](O)C1 ZINC000381623281 344527249 /nfs/dbraw/zinc/52/72/49/344527249.db2.gz FXTAIROVXMLBOC-YUMQZZPRSA-N 0 0 242.300 2.372 10 0 BEAERN CC(C)=C(F)C(=O)N1CCOCC12CCC2 ZINC000152366791 344531599 /nfs/dbraw/zinc/53/15/99/344531599.db2.gz VETXZUDCOITOBW-UHFFFAOYSA-N 0 0 227.279 2.031 10 0 BEAERN C[C@@H]1C[C@H](C)N(c2nsnc2Cl)C1 ZINC000158098198 344541756 /nfs/dbraw/zinc/54/17/56/344541756.db2.gz WKAPMKXRTMDUSK-RITPCOANSA-N 0 0 217.725 2.426 10 0 BEAERN Fc1cccc(Cl)c1CC1(F)CNC1 ZINC000158115938 344547352 /nfs/dbraw/zinc/54/73/52/344547352.db2.gz NGBABHASUVKPKY-UHFFFAOYSA-N 0 0 217.646 2.333 10 0 BEAERN O=C(CN1CCSCC1)C1CCCCC1 ZINC000158215289 344565922 /nfs/dbraw/zinc/56/59/22/344565922.db2.gz STRFFZWIFGCICD-UHFFFAOYSA-N 0 0 227.373 2.185 10 0 BEAERN CNC(=O)c1ccc(N)c(N2CCCC2(C)C)c1 ZINC000103953631 187291632 /nfs/dbraw/zinc/29/16/32/187291632.db2.gz CFKWINTXYXYKGF-UHFFFAOYSA-N 0 0 247.342 2.007 10 0 BEAERN N#CCc1ccc(F)c(N)c1C(F)(F)F ZINC000396081744 344597618 /nfs/dbraw/zinc/59/76/18/344597618.db2.gz BCWDHKFJGGLAAB-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(C)n1 ZINC000177694287 344580828 /nfs/dbraw/zinc/58/08/28/344580828.db2.gz WNJGZXPFPNUXMZ-JOYOIKCWSA-N 0 0 234.299 2.204 10 0 BEAERN N#CCc1cc(N)c(F)cc1C(F)(F)F ZINC000396037187 344583751 /nfs/dbraw/zinc/58/37/51/344583751.db2.gz DNCRWJGURWVITA-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN OCc1ccc(OC(F)F)c(C(F)(F)F)n1 ZINC000396095751 344598534 /nfs/dbraw/zinc/59/85/34/344598534.db2.gz LSUUWNRGHPHRKL-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN CCOc1c(OC)ccc(F)c1OC ZINC000396124696 344609403 /nfs/dbraw/zinc/60/94/03/344609403.db2.gz DKQPMTCWPQCLLI-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CN(C)c1cc(O)cc(OC(F)(F)F)c1 ZINC000396127252 344610213 /nfs/dbraw/zinc/61/02/13/344610213.db2.gz PSDQXMSNLWXLRH-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN CN(C)c1cc(OC(F)(F)F)ccc1O ZINC000396127311 344610288 /nfs/dbraw/zinc/61/02/88/344610288.db2.gz QFDRVYBSMVJJTG-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN COc1ccc(OC)c(OC(F)F)c1F ZINC000396129429 344611617 /nfs/dbraw/zinc/61/16/17/344611617.db2.gz VAADZVHRQFKQPD-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN Cc1ccccc1-c1nn(C)c(=S)[nH]1 ZINC000127722199 344611823 /nfs/dbraw/zinc/61/18/23/344611823.db2.gz GNFRPCJJUBNWMT-UHFFFAOYSA-N 0 0 205.286 2.079 10 0 BEAERN CCOC(=O)c1cc(O)c(CC)cc1C#N ZINC000396133691 344612072 /nfs/dbraw/zinc/61/20/72/344612072.db2.gz AJINJWWSWPZTHD-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOc1cc(F)c(OC)c(OC)c1 ZINC000396129678 344612271 /nfs/dbraw/zinc/61/22/71/344612271.db2.gz ZUPFUDAFGOIBOM-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CCOC(=O)c1ccc(CC)c(O)c1C#N ZINC000396134736 344612532 /nfs/dbraw/zinc/61/25/32/344612532.db2.gz FBSJQGOOAKXVFO-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1c(O)ccc(CC)c1C#N ZINC000396134367 344612577 /nfs/dbraw/zinc/61/25/77/344612577.db2.gz CVKZNHFARCBQPA-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(CC)cc(C#N)c1O ZINC000396134839 344612865 /nfs/dbraw/zinc/61/28/65/344612865.db2.gz GDRXHIWNEOUCJN-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)Cc1ccc(C#N)c(C)c1C ZINC000396136672 344613727 /nfs/dbraw/zinc/61/37/27/344613727.db2.gz LXOHYEGGDOMBEW-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN COC(=O)c1cc(OC(F)F)ncc1Cl ZINC000396137316 344613743 /nfs/dbraw/zinc/61/37/43/344613743.db2.gz NZKLURQHJBZYHM-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)c1ncc(Cl)cc1OC(F)F ZINC000396138237 344614060 /nfs/dbraw/zinc/61/40/60/344614060.db2.gz RNRYHBVAWSVSIR-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(C)c1C#N ZINC000396145258 344618558 /nfs/dbraw/zinc/61/85/58/344618558.db2.gz SFFYFKYZSHWZTR-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(Cl)c(C)c(C#N)c1 ZINC000396141491 344616011 /nfs/dbraw/zinc/61/60/11/344616011.db2.gz DTPLAMOVEUYLIY-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(Cl)c(C#N)cc1C ZINC000396142174 344616372 /nfs/dbraw/zinc/61/63/72/344616372.db2.gz HRKRHLYAZVCGMD-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1c(Cl)ccc(C#N)c1O ZINC000396141978 344616400 /nfs/dbraw/zinc/61/64/00/344616400.db2.gz HGLSVOFZFRMYOR-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN CCOC(=O)Cc1ccc(C#N)c(Cl)c1F ZINC000396143901 344617086 /nfs/dbraw/zinc/61/70/86/344617086.db2.gz BWKVTJPTFAXUSJ-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCc1cc(C#N)c(C)c(CC(=O)OC)c1 ZINC000396145408 344618627 /nfs/dbraw/zinc/61/86/27/344618627.db2.gz GYYBBVZTKUIHLO-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1cc(C)cc(C#N)c1CC(=O)OC ZINC000396144516 344617637 /nfs/dbraw/zinc/61/76/37/344617637.db2.gz DCMNMWKSDMAOTE-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN N#Cc1cc(N)c(OC(F)(F)F)cc1F ZINC000396145471 344618667 /nfs/dbraw/zinc/61/86/67/344618667.db2.gz STHKZSXZDIQZGT-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN Cc1cnc([C@H](C)Nc2ccncc2F)o1 ZINC000641508260 362469091 /nfs/dbraw/zinc/46/90/91/362469091.db2.gz OSKLJHGFWQOBCK-QMMMGPOBSA-N 0 0 221.235 2.112 10 0 BEAERN CCOC(=O)Cc1cc(O)c(C)cc1C ZINC000396091528 344599662 /nfs/dbraw/zinc/59/96/62/344599662.db2.gz CQGVXOHYMOUTNQ-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN CCOC(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000396090903 344599676 /nfs/dbraw/zinc/59/96/76/344599676.db2.gz BEOIIJOOJNACNO-UHFFFAOYSA-N 0 0 223.228 2.388 10 0 BEAERN COc1c(F)ccc(OC(F)(F)F)c1N ZINC000396107324 344603272 /nfs/dbraw/zinc/60/32/72/344603272.db2.gz SGQSGCBGPJQRGK-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(F)c1F ZINC000396104733 344603403 /nfs/dbraw/zinc/60/34/03/344603403.db2.gz MKYYQSFNLKQGCL-UHFFFAOYSA-N 0 0 214.211 2.379 10 0 BEAERN COC(=O)c1ncc(F)cc1C(F)(F)F ZINC000396108091 344604131 /nfs/dbraw/zinc/60/41/31/344604131.db2.gz BCALTAPFJRNZCI-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN Nc1cc([N+](=O)[O-])c(F)cc1C(F)(F)F ZINC000396112844 344605867 /nfs/dbraw/zinc/60/58/67/344605867.db2.gz CFJRYXMGIDFGCC-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN COC(=O)c1c(F)cncc1C(F)(F)F ZINC000396115162 344606317 /nfs/dbraw/zinc/60/63/17/344606317.db2.gz QKJFQUWPCMRETC-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1c(F)cc(OC)c(F)c1F ZINC000396119202 344608000 /nfs/dbraw/zinc/60/80/00/344608000.db2.gz OVFGMBRCLLXOEI-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN CCOC(=O)c1c(C)ccc(F)c1[N+](=O)[O-] ZINC000396120989 344608504 /nfs/dbraw/zinc/60/85/04/344608504.db2.gz SOQGQQGIZOIGMX-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN C[C@H](Cc1nn(C)c(=S)[nH]1)C(C)(C)C ZINC000127791571 344652994 /nfs/dbraw/zinc/65/29/94/344652994.db2.gz MFDOSAOOLGVVRW-SSDOTTSWSA-N 0 0 213.350 2.329 10 0 BEAERN CCCC(=O)COc1cccc(OC)c1 ZINC000050185269 344654374 /nfs/dbraw/zinc/65/43/74/344654374.db2.gz MIKWRQAXCRXESW-UHFFFAOYSA-N 0 0 208.257 2.443 10 0 BEAERN COC1(c2ncc([C@@H](C)O)s2)CCC1 ZINC000158446955 344655057 /nfs/dbraw/zinc/65/50/57/344655057.db2.gz KDCGELQNOIRLRU-SSDOTTSWSA-N 0 0 213.302 2.222 10 0 BEAERN Cn1nc(-c2sccc2Cl)[nH]c1=S ZINC000127807684 344657000 /nfs/dbraw/zinc/65/70/00/344657000.db2.gz IXFBKLAUPUDTIS-UHFFFAOYSA-N 0 0 231.733 2.486 10 0 BEAERN COC1(c2nc([C@@H](C)O)cs2)CCC1 ZINC000158453240 344658015 /nfs/dbraw/zinc/65/80/15/344658015.db2.gz MXJSMLFEGNWURM-SSDOTTSWSA-N 0 0 213.302 2.222 10 0 BEAERN CCC1(c2nn(C)c(=S)[nH]2)CCCC1 ZINC000127818023 344659509 /nfs/dbraw/zinc/65/95/09/344659509.db2.gz JGBNJCPBPXIVJP-UHFFFAOYSA-N 0 0 211.334 2.326 10 0 BEAERN CO[C@H](C)Cc1nc(C)c(C)c(Cl)n1 ZINC000127862930 344669466 /nfs/dbraw/zinc/66/94/66/344669466.db2.gz DWYBTUQOOORVNL-ZCFIWIBFSA-N 0 0 214.696 2.324 10 0 BEAERN c1ccc2c(c1)CC[C@@H](Nc1cccnn1)C2 ZINC000052831394 344669577 /nfs/dbraw/zinc/66/95/77/344669577.db2.gz QMVSAFUMZUYFRP-CYBMUJFWSA-N 0 0 225.295 2.446 10 0 BEAERN CC[C@]1(Cc2ccccc2)CCNC1=O ZINC000029557967 344672795 /nfs/dbraw/zinc/67/27/95/344672795.db2.gz DWLPEYJHWYFXNI-CYBMUJFWSA-N 0 0 203.285 2.145 10 0 BEAERN COC(=O)Cc1ccc(C#N)c(Cl)c1C ZINC000396146232 344619771 /nfs/dbraw/zinc/61/97/71/344619771.db2.gz VJWYHKYDALVBLQ-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1c(Cl)ccc(C#N)c1OC ZINC000396146533 344620107 /nfs/dbraw/zinc/62/01/07/344620107.db2.gz JVNDSFRBVHYLEU-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)Cc1cc(Cl)c(F)cc1C#N ZINC000396146756 344620262 /nfs/dbraw/zinc/62/02/62/344620262.db2.gz WWNMZRVVCVFDRW-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCc1c(C)cc(CC(=O)OC)cc1C#N ZINC000396146883 344620565 /nfs/dbraw/zinc/62/05/65/344620565.db2.gz KHQPOKTXGBSMSP-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1cc(C#N)cc(C(=O)OC)c1CC ZINC000396148722 344622609 /nfs/dbraw/zinc/62/26/09/344622609.db2.gz HPPIUJXGCYWXBI-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCc1ccc(C(=O)OC)c(F)c1C#N ZINC000396149935 344622847 /nfs/dbraw/zinc/62/28/47/344622847.db2.gz AAXHDUFRJXASCV-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)c1c(F)ccc(C(F)F)c1C#N ZINC000396150367 344623308 /nfs/dbraw/zinc/62/33/08/344623308.db2.gz BBMOBMQOQOHTMI-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1cc(C(=O)OC)cc(C#N)c1C ZINC000396150235 344623457 /nfs/dbraw/zinc/62/34/57/344623457.db2.gz ATPPTTBPJKOXTN-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)c1c(F)c(C#N)ccc1CC ZINC000396151180 344624143 /nfs/dbraw/zinc/62/41/43/344624143.db2.gz CCPIBCZKHHFGPH-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1c(Cl)cc(C#N)cc1C=O ZINC000396151933 344624771 /nfs/dbraw/zinc/62/47/71/344624771.db2.gz CHSSDSQHUBQWCT-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1cc(CC)c(C#N)c(C(=O)OC)c1 ZINC000396152840 344625172 /nfs/dbraw/zinc/62/51/72/344625172.db2.gz NHCLAFRVZOAGGF-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)c1cc(C#N)c(OC)cc1Cl ZINC000396154250 344626212 /nfs/dbraw/zinc/62/62/12/344626212.db2.gz UNOFIXBUNQDOCF-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)c1ccc(Cl)c(C)c1[N+](=O)[O-] ZINC000396155068 344626856 /nfs/dbraw/zinc/62/68/56/344626856.db2.gz VVDIRMIOMVKBAY-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCc1cc(C#N)c(C(=O)OC)c(CC)c1 ZINC000396155334 344626917 /nfs/dbraw/zinc/62/69/17/344626917.db2.gz QEJWETOQKHVZNB-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCc1cc(Cl)cc(CC(=O)OC)c1C#N ZINC000396155204 344626919 /nfs/dbraw/zinc/62/69/19/344626919.db2.gz GLBGNUKHDJTDNS-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)Cc1c(F)ccc(C#N)c1Cl ZINC000396157242 344628357 /nfs/dbraw/zinc/62/83/57/344628357.db2.gz YMHIXSAWJIPOAM-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1ccc(OC)c(C#N)c1Cl ZINC000396157350 344628610 /nfs/dbraw/zinc/62/86/10/344628610.db2.gz YRJXHWGJDQVSJB-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCc1cc(C#N)cc(CC)c1C(=O)OC ZINC000396157985 344629555 /nfs/dbraw/zinc/62/95/55/344629555.db2.gz VAJOERBUMOEWHS-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCc1cc(C(=O)OC)c(C#N)cc1F ZINC000396169210 344630426 /nfs/dbraw/zinc/63/04/26/344630426.db2.gz YFFWKTUQQHHTRN-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1cc(C(=O)OC)cc(C#N)c1CC ZINC000396158740 344631962 /nfs/dbraw/zinc/63/19/62/344631962.db2.gz VTFNGWLCVZROPL-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)c1cc(C)c(C#N)cc1OC ZINC000396158778 344631973 /nfs/dbraw/zinc/63/19/73/344631973.db2.gz VWXYPBIQMLRGGV-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1ccc(C#N)c(C(=O)OC)c1F ZINC000396159483 344632512 /nfs/dbraw/zinc/63/25/12/344632512.db2.gz MEZWOCLBHQTGKX-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1cc(CC)c(C(=O)OC)cc1C#N ZINC000396161189 344633944 /nfs/dbraw/zinc/63/39/44/344633944.db2.gz YRTAQIJZZMEXBI-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)c1c(C)ccc(C#N)c1C ZINC000396162880 344634616 /nfs/dbraw/zinc/63/46/16/344634616.db2.gz LKBGZHAQZMLPQT-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(Cl)c1C=O ZINC000396168021 344637245 /nfs/dbraw/zinc/63/72/45/344637245.db2.gz XBXRALGEMWQFOB-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN Nc1nc2c([nH]1)Cc1cc(Cl)ccc1-2 ZINC000128051657 344725499 /nfs/dbraw/zinc/72/54/99/344725499.db2.gz KUGGOTVAFBWZDH-UHFFFAOYSA-N 0 0 205.648 2.217 10 0 BEAERN Cc1ccc(N)cc1C1=NC(C)(C)CO1 ZINC000039105353 178707762 /nfs/dbraw/zinc/70/77/62/178707762.db2.gz JZDKRNPGAHINPP-UHFFFAOYSA-N 0 0 204.273 2.133 10 0 BEAERN C[C@@H]1CCCCN1c1ncc(C=O)s1 ZINC000054861455 344730905 /nfs/dbraw/zinc/73/09/05/344730905.db2.gz XMPGYYBBNVKION-MRVPVSSYSA-N 0 0 210.302 2.334 10 0 BEAERN COc1cncc(-c2ccc(C=O)o2)c1 ZINC000235017958 344745160 /nfs/dbraw/zinc/74/51/60/344745160.db2.gz CXYJKZIPYXLABM-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN COC(=O)Cc1cc(Cl)c(N)c(Cl)c1 ZINC000224752938 344684171 /nfs/dbraw/zinc/68/41/71/344684171.db2.gz MQLVTSYSOCOFLM-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN Clc1noc(-c2ccc(Cl)cn2)n1 ZINC000158589856 344686705 /nfs/dbraw/zinc/68/67/05/344686705.db2.gz BIKQANPKILXIKL-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN Cc1ccc(-c2nc(Cl)no2)c(C)n1 ZINC000158592515 344689720 /nfs/dbraw/zinc/68/97/20/344689720.db2.gz NMOANTLJEMLZFY-UHFFFAOYSA-N 0 0 209.636 2.402 10 0 BEAERN COc1cccnc1[C@@H]1CCC(=O)[C@@H]1C ZINC000235035178 344748426 /nfs/dbraw/zinc/74/84/26/344748426.db2.gz SJFMPDMMBQWSRK-RKDXNWHRSA-N 0 0 205.257 2.173 10 0 BEAERN CCOC(=O)c1cc(N)ccc1OC(F)(F)F ZINC000225197422 344695952 /nfs/dbraw/zinc/69/59/52/344695952.db2.gz PKJYKGHTJFJNAM-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN C[C@@]1([C@@H](O)c2cccnc2)CCCS1 ZINC000158617030 344698326 /nfs/dbraw/zinc/69/83/26/344698326.db2.gz URDPBYRRVDKPTA-QWRGUYRKSA-N 0 0 209.314 2.401 10 0 BEAERN Cc1ccc(F)cc1O[C@@H](C)C(N)=S ZINC000230450886 344700333 /nfs/dbraw/zinc/70/03/33/344700333.db2.gz QEHFARBJNWSAMB-ZETCQYMHSA-N 0 0 213.277 2.188 10 0 BEAERN Cc1ccc(N)cc1C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000049715911 178705874 /nfs/dbraw/zinc/70/58/74/178705874.db2.gz BISMMCSZZSZBLF-CMPLNLGQSA-N 0 0 230.311 2.202 10 0 BEAERN CCOC(=O)OCCCNC(=O)OC(C)(C)C ZINC000115155712 344704773 /nfs/dbraw/zinc/70/47/73/344704773.db2.gz YNEGNNQMBMKZMZ-UHFFFAOYSA-N 0 0 247.291 2.074 10 0 BEAERN OCCSc1nnc(Cl)c2ccccc21 ZINC000050530733 344706709 /nfs/dbraw/zinc/70/67/09/344706709.db2.gz HLJGJCIGPVXLFY-UHFFFAOYSA-N 0 0 240.715 2.368 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1ccc(N)cc1 ZINC000221244492 344708484 /nfs/dbraw/zinc/70/84/84/344708484.db2.gz JLKMLDUTKHRULY-CYBMUJFWSA-N 0 0 218.300 2.342 10 0 BEAERN Cc1nc(CC(=O)C(F)(F)Cl)cs1 ZINC000158664706 344712687 /nfs/dbraw/zinc/71/26/87/344712687.db2.gz NKYFVJUWMQAYLV-UHFFFAOYSA-N 0 0 225.647 2.395 10 0 BEAERN Nc1cc(O[C@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000115697071 344714072 /nfs/dbraw/zinc/71/40/72/344714072.db2.gz ULQOYGJXCQYJAU-VIFPVBQESA-N 0 0 247.216 2.455 10 0 BEAERN CC(=O)CCn1nc(C)c(Cl)c1C ZINC000050587213 344715320 /nfs/dbraw/zinc/71/53/20/344715320.db2.gz AUJFJWWVFZGUSW-UHFFFAOYSA-N 0 0 200.669 2.132 10 0 BEAERN Cc1nn([C@H]2CCC[C@@H]2O)c(C)c1Cl ZINC000050587471 344715443 /nfs/dbraw/zinc/71/54/43/344715443.db2.gz IKVIDKGRRZRLJE-IUCAKERBSA-N 0 0 214.696 2.239 10 0 BEAERN CSc1c(N)nsc1N[C@@H]1CCSC1 ZINC000235077747 344765220 /nfs/dbraw/zinc/76/52/20/344765220.db2.gz IHLHWZWPBGZQSZ-RXMQYKEDSA-N 0 0 247.414 2.365 10 0 BEAERN C[C@@H]1CCC[C@@]1(CC(=O)OC(C)(C)C)ON ZINC000675052677 537859503 /nfs/dbraw/zinc/85/95/03/537859503.db2.gz CLAYASCEMNOPJN-SKDRFNHKSA-N 0 0 229.320 2.167 10 0 BEAERN CC[C@H](C)n1c(C)nc(Cl)cc1=O ZINC000166210551 344785467 /nfs/dbraw/zinc/78/54/67/344785467.db2.gz NKDJHEBHWAOPPZ-LURJTMIESA-N 0 0 200.669 2.176 10 0 BEAERN Cc1ccc(NC(=O)CC[C@@H](C)O)c(C)c1 ZINC000049818394 178724443 /nfs/dbraw/zinc/72/44/43/178724443.db2.gz MPKYWMKNVMRVBC-LLVKDONJSA-N 0 0 221.300 2.403 10 0 BEAERN CCCCn1c2ccc(C)cc2c(=O)oc1=O ZINC000033494446 344795664 /nfs/dbraw/zinc/79/56/64/344795664.db2.gz UUXLQDWQWWBDQI-UHFFFAOYSA-N 0 0 233.267 2.063 10 0 BEAERN Cc1[n-]n(C)c(=O)c1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000675052795 537860427 /nfs/dbraw/zinc/86/04/27/537860427.db2.gz ASKKOJZYJKXBBT-ZETCQYMHSA-N 0 0 249.289 2.260 10 0 BEAERN Cc1nc(Cl)cc(=O)n1Cc1cccs1 ZINC000166222146 344806339 /nfs/dbraw/zinc/80/63/39/344806339.db2.gz IYFLRPMUOZJCCB-UHFFFAOYSA-N 0 0 240.715 2.315 10 0 BEAERN O=c1cc(Cl)ncn1CCc1cccs1 ZINC000166235121 344810640 /nfs/dbraw/zinc/81/06/40/344810640.db2.gz YBYFNLQXHAWQSJ-UHFFFAOYSA-N 0 0 240.715 2.201 10 0 BEAERN C[C@H]1CN(c2ncccc2Cl)C[C@H](C)O1 ZINC000078256273 344836658 /nfs/dbraw/zinc/83/66/58/344836658.db2.gz VGYJZXJREPABAL-IUCAKERBSA-N 0 0 226.707 2.349 10 0 BEAERN Cc1ccc(NC(=O)c2cc(N)c[nH]2)cc1 ZINC000036861201 178751678 /nfs/dbraw/zinc/75/16/78/178751678.db2.gz LUGGQSLSYYUQGB-UHFFFAOYSA-N 0 0 215.256 2.158 10 0 BEAERN CC(C)[C@H](O)CCNc1cccc(F)n1 ZINC000078341927 344850862 /nfs/dbraw/zinc/85/08/62/344850862.db2.gz WICWLSJUBZXKGN-SECBINFHSA-N 0 0 212.268 2.040 10 0 BEAERN Cc1nnc(N2C[C@@H]3CC=CC[C@H]3C2)s1 ZINC000078371058 344855354 /nfs/dbraw/zinc/85/53/54/344855354.db2.gz KXSLNVUVOWPGBD-UWVGGRQHSA-N 0 0 221.329 2.249 10 0 BEAERN C[C@@H](O)C(=O)c1cc(F)ccc1Cl ZINC000235260909 344862590 /nfs/dbraw/zinc/86/25/90/344862590.db2.gz WBLFXXUSYIBWQZ-RXMQYKEDSA-N 0 0 202.612 2.043 10 0 BEAERN Cc1noc(CCNc2ccc(C)cc2)n1 ZINC000037475103 178760327 /nfs/dbraw/zinc/76/03/27/178760327.db2.gz CUEBFCDACVXSQU-UHFFFAOYSA-N 0 0 217.272 2.341 10 0 BEAERN CCn1cc(N)c(-c2cc(C)oc2C)n1 ZINC000135742931 344874622 /nfs/dbraw/zinc/87/46/22/344874622.db2.gz ABCLYQNCYNATFA-UHFFFAOYSA-N 0 0 205.261 2.362 10 0 BEAERN Cn1cnc2cnc(NC(=O)OC(C)(C)C)cc21 ZINC000166370567 344876219 /nfs/dbraw/zinc/87/62/19/344876219.db2.gz HRHJTZKJHRXSRU-UHFFFAOYSA-N 0 0 248.286 2.315 10 0 BEAERN C[C@@H]1C[C@H]1CNc1ncc(N)cc1Cl ZINC000235313087 344881125 /nfs/dbraw/zinc/88/11/25/344881125.db2.gz LMRMQJNOCIXESG-RQJHMYQMSA-N 0 0 211.696 2.385 10 0 BEAERN Cc1ccc(N[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000037690001 178772002 /nfs/dbraw/zinc/77/20/02/178772002.db2.gz WNQUWSDBJHZEHI-NEPJUHHUSA-N 0 0 209.264 2.459 10 0 BEAERN COC(=O)c1c(N)c(F)ccc1C(F)(F)F ZINC000062812287 347084741 /nfs/dbraw/zinc/08/47/41/347084741.db2.gz DXHITSHQZPQCSO-UHFFFAOYSA-N 0 0 237.152 2.213 10 0 BEAERN CC(C)C[C@H](C)Cn1ccc(=O)c(N)c1 ZINC000300963072 537871386 /nfs/dbraw/zinc/87/13/86/537871386.db2.gz RFJKEGRXDXUREW-JTQLQIEISA-N 0 0 208.305 2.113 10 0 BEAERN CSc1ccc(NCC(C)(C)CCO)nn1 ZINC000078688569 344897654 /nfs/dbraw/zinc/89/76/54/344897654.db2.gz BTVMGBILUPJMDA-UHFFFAOYSA-N 0 0 241.360 2.019 10 0 BEAERN Cc1nn(-c2ccc(F)cc2C)cc1N ZINC000135813535 344897894 /nfs/dbraw/zinc/89/78/94/344897894.db2.gz KEEPSONVPNOSAN-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1ccc(N[C@@H](C)C(=O)N(C)C)cc1C ZINC000058342065 178770021 /nfs/dbraw/zinc/77/00/21/178770021.db2.gz PWLVVVIUHFJSIR-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)c1cnc2cc[nH]cc1-2 ZINC000166470543 344903244 /nfs/dbraw/zinc/90/32/44/344903244.db2.gz MSBYGZAXGMJOIS-SFYZADRCSA-N 0 0 200.241 2.402 10 0 BEAERN O=c1[nH]c2c(s1)CCc1sccc1-2 ZINC000061326808 344908009 /nfs/dbraw/zinc/90/80/09/344908009.db2.gz NGPSDFPAYVIAII-UHFFFAOYSA-N 0 0 209.295 2.264 10 0 BEAERN CC(C)CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175757283 323080931 /nfs/dbraw/zinc/08/09/31/323080931.db2.gz WXXIYTYEQNZPLE-JTQLQIEISA-N 0 0 243.347 2.221 10 0 BEAERN Nc1ccn(C[C@@H]2CCCC(F)(F)C2)n1 ZINC000300968288 537873215 /nfs/dbraw/zinc/87/32/15/537873215.db2.gz QJHBBSCLXKOGOW-MRVPVSSYSA-N 0 0 215.247 2.291 10 0 BEAERN C[C@@H]1[C@H]([NH+](C)C)CC[C@H](C(=O)[O-])C1(C)C ZINC000166571460 344928540 /nfs/dbraw/zinc/92/85/40/344928540.db2.gz NIQUJQAWKUSVCF-OPRDCNLKSA-N 0 0 213.321 2.074 10 0 BEAERN C[C@H]1C[C@H]1Nc1nnc(C(F)(F)F)s1 ZINC000154297656 187295600 /nfs/dbraw/zinc/29/56/00/187295600.db2.gz UFKGVSCMWBFTIE-IUYQGCFVSA-N 0 0 223.223 2.377 10 0 BEAERN O=C1CCNCc2c(Br)cccc21 ZINC000166600091 344936668 /nfs/dbraw/zinc/93/66/68/344936668.db2.gz RPWJHYVXKRMJKK-UHFFFAOYSA-N 0 0 240.100 2.125 10 0 BEAERN C[C@H](O)C(=O)c1sccc1Br ZINC000235544717 344937261 /nfs/dbraw/zinc/93/72/61/344937261.db2.gz DEUIOVDECBCWCA-BYPYZUCNSA-N 0 0 235.102 2.074 10 0 BEAERN C[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C1CCCC1 ZINC000235604444 344952839 /nfs/dbraw/zinc/95/28/39/344952839.db2.gz PYOIGSSHCVOJJY-UWVGGRQHSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1n[nH]c(C)c1N[C@H]1CCS[C@@H]1C ZINC000235607548 344953635 /nfs/dbraw/zinc/95/36/35/344953635.db2.gz LHAFJUYXYOFHSV-BDAKNGLRSA-N 0 0 211.334 2.332 10 0 BEAERN CC(=O)c1c[nH]c(Cc2ccccc2)n1 ZINC000238075412 344958216 /nfs/dbraw/zinc/95/82/16/344958216.db2.gz DOXHUYNSTIBVKR-UHFFFAOYSA-N 0 0 200.241 2.203 10 0 BEAERN CC(C)Sc1nc(Cl)nc(N(C)C)n1 ZINC000061544154 344960531 /nfs/dbraw/zinc/96/05/31/344960531.db2.gz XTTUSIXJOHROLA-UHFFFAOYSA-N 0 0 232.740 2.092 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000238091440 344963182 /nfs/dbraw/zinc/96/31/82/344963182.db2.gz VVLJDHFNQZHHJA-JTQLQIEISA-N 0 0 237.303 2.482 10 0 BEAERN COC[C@@H](C)Nc1cnccc1Cl ZINC000166692806 344963467 /nfs/dbraw/zinc/96/34/67/344963467.db2.gz YFPAHHQZAUDHLJ-SSDOTTSWSA-N 0 0 200.669 2.182 10 0 BEAERN C[C@H]1OCC[C@@H]1S[C@H]1CCCC[C@@H]1O ZINC000235648983 344966419 /nfs/dbraw/zinc/96/64/19/344966419.db2.gz VDORXFQXKQKWLH-RCWTZXSCSA-N 0 0 216.346 2.201 10 0 BEAERN CSc1ccc(C)c(C(=O)N2CCCO2)c1 ZINC000125416783 187296301 /nfs/dbraw/zinc/29/63/01/187296301.db2.gz APIXRFVXDWTJIZ-UHFFFAOYSA-N 0 0 237.324 2.494 10 0 BEAERN C[C@H]1OCC[C@@H]1Sc1ccc(C=O)o1 ZINC000235656222 344972770 /nfs/dbraw/zinc/97/27/70/344972770.db2.gz FGQUMRCUMQDPOF-APPZFPTMSA-N 0 0 212.270 2.362 10 0 BEAERN Nc1cccc(CNC(=O)Cc2ccccc2)c1 ZINC000052925760 344973670 /nfs/dbraw/zinc/97/36/70/344973670.db2.gz PUIZXIRQUUMISJ-UHFFFAOYSA-N 0 0 240.306 2.128 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCCSCC1 ZINC000079122107 344940129 /nfs/dbraw/zinc/94/01/29/344940129.db2.gz QORPXPXCUXBLIN-SNVBAGLBSA-N 0 0 230.377 2.179 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCCSCC1 ZINC000079122109 344940347 /nfs/dbraw/zinc/94/03/47/344940347.db2.gz QORPXPXCUXBLIN-JTQLQIEISA-N 0 0 230.377 2.179 10 0 BEAERN Cc1nc(Cl)c2cc3c(cc2n1)OCO3 ZINC000166613933 344943662 /nfs/dbraw/zinc/94/36/62/344943662.db2.gz ULBLMQCBKDHIKR-UHFFFAOYSA-N 0 0 222.631 2.320 10 0 BEAERN Cc1cc(N)cc(S[C@@H](C)[C@H](C)O)c1 ZINC000235597441 344951376 /nfs/dbraw/zinc/95/13/76/344951376.db2.gz HROBWPSTRPIBMB-IUCAKERBSA-N 0 0 211.330 2.439 10 0 BEAERN Clc1ccncc1NC[C@H]1CCCO1 ZINC000166655796 344951815 /nfs/dbraw/zinc/95/18/15/344951815.db2.gz SVAGWMNVYAXMHZ-MRVPVSSYSA-N 0 0 212.680 2.326 10 0 BEAERN C[C@H]1CCC[C@H](CN2CN=NC2=S)C1 ZINC000235664152 344977932 /nfs/dbraw/zinc/97/79/32/344977932.db2.gz KWENOXBSFUNBIX-IUCAKERBSA-N 0 0 211.334 2.393 10 0 BEAERN NC(=O)c1c(Cl)ccc(F)c1Cl ZINC000144977711 344983487 /nfs/dbraw/zinc/98/34/87/344983487.db2.gz DODLBUPEHSCUBV-UHFFFAOYSA-N 0 0 208.019 2.231 10 0 BEAERN CCc1ccc(N)cc1I ZINC000238279956 345007482 /nfs/dbraw/zinc/00/74/82/345007482.db2.gz KOOMRZKKPFRNGR-UHFFFAOYSA-N 0 0 247.079 2.436 10 0 BEAERN Cc1ncn(-c2ccc(N)cc2C)c1C ZINC000051925495 187299319 /nfs/dbraw/zinc/29/93/19/187299319.db2.gz SFZZNJFTZUOVOW-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1O ZINC000146067535 345046760 /nfs/dbraw/zinc/04/67/60/345046760.db2.gz SZVLDQVHEROQDA-BBBLOLIVSA-N 0 0 229.320 2.061 10 0 BEAERN CCOC(=O)c1c(C)ccc(F)c1F ZINC000238298882 345014512 /nfs/dbraw/zinc/01/45/12/345014512.db2.gz DMDLDBJUZDRNIP-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN COc1cncc(C)c1Br ZINC000238345265 345026632 /nfs/dbraw/zinc/02/66/32/345026632.db2.gz POWRAPBFZSXKLR-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN CC(=O)C1(c2ccccc2)CCOCC1 ZINC000011833076 345027210 /nfs/dbraw/zinc/02/72/10/345027210.db2.gz HAFIGAOGUVZWDL-UHFFFAOYSA-N 0 0 204.269 2.324 10 0 BEAERN COc1ccc(F)c(OC(F)(F)F)n1 ZINC000238346663 345027532 /nfs/dbraw/zinc/02/75/32/345027532.db2.gz KFEUBVVFGDRJIU-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cnc(OC(F)(F)F)cc1C ZINC000238342243 345028030 /nfs/dbraw/zinc/02/80/30/345028030.db2.gz YYVNIXVLUNJSOY-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1ccc(C=O)c(F)c1SC ZINC000238377337 345033931 /nfs/dbraw/zinc/03/39/31/345033931.db2.gz KYUKPVCOPGUDBK-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COc1ccc(OC(F)(F)F)c(F)n1 ZINC000238384536 345037698 /nfs/dbraw/zinc/03/76/98/345037698.db2.gz XATBHZVRRMPQFI-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cc(OC(F)(F)F)cc(F)n1 ZINC000238401788 345041402 /nfs/dbraw/zinc/04/14/02/345041402.db2.gz SCINFEAWQUIHTF-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN O=C1CCOc2cc(F)c(F)c(F)c21 ZINC000238542777 345073661 /nfs/dbraw/zinc/07/36/61/345073661.db2.gz JKACMRJKFUYKQD-UHFFFAOYSA-N 0 0 202.131 2.069 10 0 BEAERN Cc1nc(I)ccc1F ZINC000238544138 345074252 /nfs/dbraw/zinc/07/42/52/345074252.db2.gz DCCLCSXNSPIMIH-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN FC(F)(F)Oc1nccnc1Br ZINC000238550224 345075462 /nfs/dbraw/zinc/07/54/62/345075462.db2.gz WPDYHQBFAMMNHL-UHFFFAOYSA-N 0 0 242.982 2.138 10 0 BEAERN Cc1c[nH]c(=O)cc1OCc1ccccc1 ZINC000238553257 345076763 /nfs/dbraw/zinc/07/67/63/345076763.db2.gz UTUBQYNPXMQIBC-UHFFFAOYSA-N 0 0 215.252 2.262 10 0 BEAERN Cc1cc(C)cc(N2CC[C@H](CO)C2)c1 ZINC000011892798 345055302 /nfs/dbraw/zinc/05/53/02/345055302.db2.gz NUPHAVPUBWLYCU-LBPRGKRZSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)Nc2ccnn2C)o1 ZINC000154947034 345060166 /nfs/dbraw/zinc/06/01/66/345060166.db2.gz JWXQSQZYNNWOJJ-VIFPVBQESA-N 0 0 248.286 2.204 10 0 BEAERN COc1ncc(Cl)c(C(F)(F)F)n1 ZINC000307151667 345066773 /nfs/dbraw/zinc/06/67/73/345066773.db2.gz FHAGLTOFSZHDAF-UHFFFAOYSA-N 0 0 212.558 2.157 10 0 BEAERN Cc1cnc(C=O)cc1OC(F)(F)F ZINC000238514987 345067766 /nfs/dbraw/zinc/06/77/66/345067766.db2.gz DMXACYRVRLVPHQ-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN O=c1c(Cl)c[nH]cc1OC(F)(F)F ZINC000238720852 345118517 /nfs/dbraw/zinc/11/85/17/345118517.db2.gz DZLSONYXJXHNIP-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN OCc1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238724647 345121047 /nfs/dbraw/zinc/12/10/47/345121047.db2.gz UKFVJLNPJUUCLU-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN CSCC[C@H](C)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000155588726 345089492 /nfs/dbraw/zinc/08/94/92/345089492.db2.gz MPHMKQQFHFIVIO-HBNTYKKESA-N 0 0 245.388 2.154 10 0 BEAERN NC(=O)c1cccc(Cl)c1C(F)(F)F ZINC000238625481 345096950 /nfs/dbraw/zinc/09/69/50/345096950.db2.gz ITPDKSZHAKSTQF-UHFFFAOYSA-N 0 0 223.581 2.458 10 0 BEAERN Clc1cc(NCC[C@@H]2CCCO2)ncn1 ZINC000044511412 345103556 /nfs/dbraw/zinc/10/35/56/345103556.db2.gz XXSIWCFQVPIBGW-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN Clc1nccnc1NCC[C@H]1CCCO1 ZINC000044511415 345103593 /nfs/dbraw/zinc/10/35/93/345103593.db2.gz UPSLBLWHDHZWNB-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN OCc1ncc(Cl)cc1OC(F)(F)F ZINC000238661571 345103865 /nfs/dbraw/zinc/10/38/65/345103865.db2.gz PGSRXBIPDNSDCB-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Cc1cnn([C@H]2CCCN(C(=O)C3(C)CC3)C2)c1 ZINC000155885945 345111006 /nfs/dbraw/zinc/11/10/06/345111006.db2.gz RYSCUVMIKLAANL-LBPRGKRZSA-N 0 0 247.342 2.155 10 0 BEAERN O=c1cc(Cl)c(OC(F)(F)F)c[nH]1 ZINC000238691025 345112925 /nfs/dbraw/zinc/11/29/25/345112925.db2.gz ZKXKUQPLLPYWPI-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Cc1nc2c(cc1C(=O)[O-])CCCCC2 ZINC000145373807 345136521 /nfs/dbraw/zinc/13/65/21/345136521.db2.gz LGBSFPPFMSGZGX-UHFFFAOYSA-N 0 0 205.257 2.357 10 0 BEAERN CCS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000145366152 345136765 /nfs/dbraw/zinc/13/67/65/345136765.db2.gz JNAGPOXDNOYEET-UHFFFAOYSA-N 0 0 240.111 2.182 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)C2=COCCC2)o1 ZINC000068414355 178834166 /nfs/dbraw/zinc/83/41/66/178834166.db2.gz CAXIEBZWNOWKNW-SNVBAGLBSA-N 0 0 235.283 2.460 10 0 BEAERN O=C(N[C@H]1CCC[C@H](O)C1)C1CCC=CCC1 ZINC000635350028 345318473 /nfs/dbraw/zinc/31/84/73/345318473.db2.gz ONUZQZDRSKLDGS-STQMWFEESA-N 0 0 237.343 2.153 10 0 BEAERN O=C(N[C@@H]1CCC[C@@H](O)C1)C1CCC=CCC1 ZINC000635350023 345318560 /nfs/dbraw/zinc/31/85/60/345318560.db2.gz ONUZQZDRSKLDGS-CHWSQXEVSA-N 0 0 237.343 2.153 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000157393561 345258926 /nfs/dbraw/zinc/25/89/26/345258926.db2.gz YSXOMNCWQHSMOH-FVCCEPFGSA-N 0 0 239.359 2.449 10 0 BEAERN Cc1ccnc(Sc2ccnc(F)c2)n1 ZINC000227647144 345261920 /nfs/dbraw/zinc/26/19/20/345261920.db2.gz XWKUOUUAJFGBJU-UHFFFAOYSA-N 0 0 221.260 2.470 10 0 BEAERN C[C@H]1SCCC[C@@]1(O)Cc1ccoc1 ZINC000130485849 345276731 /nfs/dbraw/zinc/27/67/31/345276731.db2.gz AVGGDDNBADMVMR-MWLCHTKSSA-N 0 0 212.314 2.469 10 0 BEAERN CCOC(=O)c1ccc2ccc(OC)nc2c1 ZINC000167273221 345290864 /nfs/dbraw/zinc/29/08/64/345290864.db2.gz LAYNFJHYMIMKIE-UHFFFAOYSA-N 0 0 231.251 2.420 10 0 BEAERN Cc1nnsc1C(=O)c1cccs1 ZINC000158796902 345305687 /nfs/dbraw/zinc/30/56/87/345305687.db2.gz KBVUJYSOMWLWHU-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CCc1ccsc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000131803722 345309342 /nfs/dbraw/zinc/30/93/42/345309342.db2.gz CBUQIPSRORVQEA-DTWKUNHWSA-N 0 0 241.356 2.057 10 0 BEAERN C[C@@](O)(CO)c1ccc(Cl)c(Cl)c1 ZINC000132810624 345346299 /nfs/dbraw/zinc/34/62/99/345346299.db2.gz SSKJBGKPPQEJHP-SECBINFHSA-N 0 0 221.083 2.193 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000103373103 187302278 /nfs/dbraw/zinc/30/22/78/187302278.db2.gz CESSVQHDRLRWFR-GRYCIOLGSA-N 0 0 227.348 2.306 10 0 BEAERN Cc1ccc([C@@H](C)O)c(OC[C@@H]2CCOC2)c1 ZINC000104337714 178852065 /nfs/dbraw/zinc/85/20/65/178852065.db2.gz HBXHTQMPUYJASO-VXGBXAGGSA-N 0 0 236.311 2.464 10 0 BEAERN CC(C)Nc1cnc(Br)cn1 ZINC000133443327 345375392 /nfs/dbraw/zinc/37/53/92/345375392.db2.gz ATLIHIVOTVIAKE-UHFFFAOYSA-N 0 0 216.082 2.059 10 0 BEAERN Cc1nnc(N[C@@H]2COc3ccccc32)nc1C ZINC000159096289 345408921 /nfs/dbraw/zinc/40/89/21/345408921.db2.gz AJJMXYASQOZDLH-LLVKDONJSA-N 0 0 242.282 2.034 10 0 BEAERN COCc1nc(C)cc(NC(C)(C)C)n1 ZINC000080667621 345414526 /nfs/dbraw/zinc/41/45/26/345414526.db2.gz FIJNYCVDXXFUKC-UHFFFAOYSA-N 0 0 209.293 2.142 10 0 BEAERN CO[C@@H]1CCC[C@@H]([C@@H]2CSCC2=O)C1 ZINC000134566510 345415356 /nfs/dbraw/zinc/41/53/56/345415356.db2.gz CKWFLOMHFQPWTN-BBBLOLIVSA-N 0 0 214.330 2.124 10 0 BEAERN CCc1cc(C)c(C(=O)NCC2CC2)o1 ZINC000134807222 345421985 /nfs/dbraw/zinc/42/19/85/345421985.db2.gz NIDJHJRKRMDKEZ-UHFFFAOYSA-N 0 0 207.273 2.290 10 0 BEAERN C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH+]1CCCCC1 ZINC000134917846 345426233 /nfs/dbraw/zinc/42/62/33/345426233.db2.gz ANAVDOVEEIHXSE-CMPLNLGQSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1nn(Cc2ccc(C)cc2)cc1N ZINC000135784051 345456541 /nfs/dbraw/zinc/45/65/41/345456541.db2.gz QQLBQSDBYHPISH-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H]2C)n1 ZINC000080979038 345457654 /nfs/dbraw/zinc/45/76/54/345457654.db2.gz PCRXIIOXNSIBPN-RCOVLWMOSA-N 0 0 202.261 2.087 10 0 BEAERN c1nc2ncnc(N3CC[C@@H]4CCCC[C@@H]43)c2[nH]1 ZINC000080985320 345458457 /nfs/dbraw/zinc/45/84/57/345458457.db2.gz LMNWUVDBNADKOW-UWVGGRQHSA-N 0 0 243.314 2.122 10 0 BEAERN C[C@@H](NN)c1cc(F)cc(Br)c1 ZINC000229333190 345509925 /nfs/dbraw/zinc/50/99/25/345509925.db2.gz SOLRGVXRIXJVCC-RXMQYKEDSA-N 0 0 233.084 2.113 10 0 BEAERN CC1CC(C(=O)NCc2nc3ccccc3[nH]2)C1 ZINC000084762751 345525045 /nfs/dbraw/zinc/52/50/45/345525045.db2.gz XPQSKJJJRWKJRB-UHFFFAOYSA-N 0 0 243.310 2.225 10 0 BEAERN CO[C@@H]1[C@@H](C)[C@@H](NCC(C)(F)F)C1(C)C ZINC000378769940 345560623 /nfs/dbraw/zinc/56/06/23/345560623.db2.gz FIMDVCSJOKWBAY-DJLDLDEBSA-N 0 0 221.291 2.291 10 0 BEAERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](O)C2)s1 ZINC000378796650 345575657 /nfs/dbraw/zinc/57/56/57/345575657.db2.gz QWHLJZBIIRPHCS-JGVFFNPUSA-N 0 0 242.300 2.372 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000378805484 345576111 /nfs/dbraw/zinc/57/61/11/345576111.db2.gz WSRMPICOJQOLKA-RNFRBKRXSA-N 0 0 228.273 2.246 10 0 BEAERN C[C@@H](O)C(=O)c1ccc(Br)cc1 ZINC000013534444 362597885 /nfs/dbraw/zinc/59/78/85/362597885.db2.gz YFHWUJCHEKDIGF-ZCFIWIBFSA-N 0 0 229.073 2.013 10 0 BEAERN CSc1ccc(N[C@H](C)[C@@H]2CCCO2)nn1 ZINC000091427592 345592496 /nfs/dbraw/zinc/59/24/96/345592496.db2.gz UDHMFEGTCCHQCT-BDAKNGLRSA-N 0 0 239.344 2.178 10 0 BEAERN Cc1cc(=O)n(CC=C(Cl)Cl)cc1N ZINC000403384316 537900522 /nfs/dbraw/zinc/90/05/22/537900522.db2.gz LYMVHROQARGHLL-UHFFFAOYSA-N 0 0 233.098 2.058 10 0 BEAERN COc1cc(=O)c2c(O)cc(C)oc-2c1C ZINC000013484901 187307689 /nfs/dbraw/zinc/30/76/89/187307689.db2.gz DFAAYQHTFVTATL-UHFFFAOYSA-N 0 0 220.224 2.124 10 0 endogenous,in-man BEAERN Nc1nc(Cl)nc([C@@H]2CCCCS2)n1 ZINC000137372247 345615473 /nfs/dbraw/zinc/61/54/73/345615473.db2.gz GAFYQFGEJQEZBV-YFKPBYRVSA-N 0 0 230.724 2.065 10 0 BEAERN Nc1nc(Cl)nc(C2CCCCC2)n1 ZINC000072192379 537903788 /nfs/dbraw/zinc/90/37/88/537903788.db2.gz OLLFLQZPZHRLPT-UHFFFAOYSA-N 0 0 212.684 2.155 10 0 BEAERN Nc1ccc2cnn([C@@H]3CCSC3)c2c1 ZINC000405278786 537904535 /nfs/dbraw/zinc/90/45/35/537904535.db2.gz UFZNEULTPQHCMH-SNVBAGLBSA-N 0 0 219.313 2.297 10 0 BEAERN Cc1ccc([C@H](C)n2nccc2N)cc1 ZINC000019689474 178902484 /nfs/dbraw/zinc/90/24/84/178902484.db2.gz OMIOWGLXOVEOEN-JTQLQIEISA-N 0 0 201.273 2.383 10 0 BEAERN CCCC(=O)Oc1ccc(C=O)cc1OC ZINC000031975719 345698239 /nfs/dbraw/zinc/69/82/39/345698239.db2.gz FWHDAFFMONQTTP-UHFFFAOYSA-N 0 0 222.240 2.213 10 0 BEAERN CC1(C)C(=O)N(C2CCCCCC2)C[C@H]1CO ZINC000113655378 345754611 /nfs/dbraw/zinc/75/46/11/345754611.db2.gz KPVCORADBRNCHZ-NSHDSACASA-N 0 0 239.359 2.186 10 0 BEAERN Cc1ccc([C@@H](O)c2ccc(C=O)cc2)o1 ZINC000113991396 345755657 /nfs/dbraw/zinc/75/56/57/345755657.db2.gz BSVJRKFCALVJFF-ZDUSSCGKSA-N 0 0 216.236 2.482 10 0 BEAERN C[C@@H](/C=C\CO)COCc1ccccc1 ZINC000206825619 345757865 /nfs/dbraw/zinc/75/78/65/345757865.db2.gz SJFYRTKANCOGEK-FJOGCWAESA-N 0 0 206.285 2.388 10 0 BEAERN O=c1[nH]cc(SCc2ccccc2)cc1O ZINC000206398857 345758008 /nfs/dbraw/zinc/75/80/08/345758008.db2.gz OSZVPJUVOVOXFN-UHFFFAOYSA-N 0 0 233.292 2.373 10 0 BEAERN Cc1cc(=O)n(-c2ccc(C)cc2C)o1 ZINC000207002365 345758024 /nfs/dbraw/zinc/75/80/24/345758024.db2.gz RQDHUEISOJTMFU-UHFFFAOYSA-N 0 0 203.241 2.356 10 0 BEAERN CC(C)[C@@H]1OC(=O)[C@@H](c2ccccc2)O1 ZINC000032133308 345726085 /nfs/dbraw/zinc/72/60/85/345726085.db2.gz IYMQCSUOAPQTQT-PWSUYJOCSA-N 0 0 206.241 2.283 10 0 BEAERN C/C=C/[C@@H](O)P(=O)(OCC)OCC ZINC000136174769 345807813 /nfs/dbraw/zinc/80/78/13/345807813.db2.gz WYCUHXNBRUWSFL-IPWDFOCMSA-N 0 0 208.194 2.147 10 0 BEAERN O=C(Cc1ccsc1)C1CCOCC1 ZINC000061672574 345810142 /nfs/dbraw/zinc/81/01/42/345810142.db2.gz HCUIGBJEFYBKCL-UHFFFAOYSA-N 0 0 210.298 2.286 10 0 BEAERN CCc1ccc(C(=O)C2CCOCC2)o1 ZINC000061671297 345810498 /nfs/dbraw/zinc/81/04/98/345810498.db2.gz JOICSADWYAYFJJ-UHFFFAOYSA-N 0 0 208.257 2.451 10 0 BEAERN Nc1ccc(-c2nc3ccccc3[nH]c2=O)cc1 ZINC000136337572 345812496 /nfs/dbraw/zinc/81/24/96/345812496.db2.gz VYQWPGFZVIDNBQ-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN Cn1cc(C=O)c2c1ccc1c2CCCO1 ZINC000034076977 345816108 /nfs/dbraw/zinc/81/61/08/345816108.db2.gz SDMHROAWCALAPD-UHFFFAOYSA-N 0 0 215.252 2.316 10 0 BEAERN CCCCC[C@@H]1OC(C)(C)O[C@@H]1C=O ZINC000034256117 345820260 /nfs/dbraw/zinc/82/02/60/345820260.db2.gz YSLKOEAOCUWVEB-VHSXEESVSA-N 0 0 200.278 2.286 10 0 BEAERN O[C@@H](COCc1ccccc1)c1ccccn1 ZINC000034246840 345820321 /nfs/dbraw/zinc/82/03/21/345820321.db2.gz CXYVFLHJBYRDCD-AWEZNQCLSA-N 0 0 229.279 2.332 10 0 BEAERN O[C@@H](COc1ccccc1)c1ccccn1 ZINC000034246826 345820361 /nfs/dbraw/zinc/82/03/61/345820361.db2.gz ZIDRQEMNHBSPOP-ZDUSSCGKSA-N 0 0 215.252 2.194 10 0 BEAERN CCOC(=O)[C@@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000050975460 345767925 /nfs/dbraw/zinc/76/79/25/345767925.db2.gz FTTQZBUVCLSIRI-BXKDBHETSA-N 0 0 214.305 2.127 10 0 BEAERN CCOC(=O)[C@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000050975457 345768271 /nfs/dbraw/zinc/76/82/71/345768271.db2.gz FTTQZBUVCLSIRI-SKDRFNHKSA-N 0 0 214.305 2.127 10 0 BEAERN c1nc(C[C@@H]2CCc3ncccc3C2)c[nH]1 ZINC000034278985 345820988 /nfs/dbraw/zinc/82/09/88/345820988.db2.gz ISYIUYRWUINXCB-SNVBAGLBSA-N 0 0 213.284 2.152 10 0 BEAERN N#C[C@](N)(CF)CCCOCc1ccccc1 ZINC000034362815 345822085 /nfs/dbraw/zinc/82/20/85/345822085.db2.gz ILZZWRJCTYOMCH-CYBMUJFWSA-N 0 0 236.290 2.174 10 0 BEAERN O[C@@H](Cc1csc(Cl)c1)c1cn[nH]c1 ZINC000306255311 537911576 /nfs/dbraw/zinc/91/15/76/537911576.db2.gz VICQUNFOQHMMCL-QMMMGPOBSA-N 0 0 228.704 2.401 10 0 BEAERN COC(OC)c1cnccc1Br ZINC000307481195 345800978 /nfs/dbraw/zinc/80/09/78/345800978.db2.gz HIDGVSHMYRXTQQ-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN C=CC[C@H](C(=O)OC)c1ccc(C(=O)OC)cc1 ZINC000137395520 345845740 /nfs/dbraw/zinc/84/57/40/345845740.db2.gz MPVMGBGNOCQPSX-LBPRGKRZSA-N 0 0 248.278 2.306 10 0 BEAERN Cc1ccc([C@](C)(O)Cc2cnn(C)c2)cc1C ZINC000050541542 178926310 /nfs/dbraw/zinc/92/63/10/178926310.db2.gz PHHVYTIVSCXDJY-OAHLLOKOSA-N 0 0 244.338 2.487 10 0 BEAERN COc1cc(I)cc(C)n1 ZINC000142811569 345863937 /nfs/dbraw/zinc/86/39/37/345863937.db2.gz JAILFRXPTGCDEZ-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN CC(=O)C1(c2cc(O)cc(F)c2)CCOCC1 ZINC000137541848 345848048 /nfs/dbraw/zinc/84/80/48/345848048.db2.gz YEATUYGBRMGLAA-UHFFFAOYSA-N 0 0 238.258 2.169 10 0 BEAERN N#CC[C@H](O)c1cc(Br)cs1 ZINC000215833249 345849324 /nfs/dbraw/zinc/84/93/24/345849324.db2.gz BKLAKZRPCUBNEE-LURJTMIESA-N 0 0 232.102 2.458 10 0 BEAERN Cc1c(N)n[nH]c1-c1ccoc1Br ZINC000235765087 345851909 /nfs/dbraw/zinc/85/19/09/345851909.db2.gz LUPFSRYZPFKCDU-UHFFFAOYSA-N 0 0 242.076 2.323 10 0 BEAERN O=C(CF)c1cc(Br)cnc1F ZINC000218666891 345855326 /nfs/dbraw/zinc/85/53/26/345855326.db2.gz FIDNRGYRMKYMJL-UHFFFAOYSA-N 0 0 236.015 2.135 10 0 BEAERN CCOC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1F ZINC000142142192 345856594 /nfs/dbraw/zinc/85/65/94/345856594.db2.gz SUGMUMZTIYEMGM-LLVKDONJSA-N 0 0 239.290 2.415 10 0 BEAERN c1coc(CN2CCN=C2c2ccco2)c1 ZINC000142930951 345864507 /nfs/dbraw/zinc/86/45/07/345864507.db2.gz NGJDKCMCYAWHEX-UHFFFAOYSA-N 0 0 216.240 2.135 10 0 BEAERN CCCc1nc2c(cc(CO)cc2C)[nH]1 ZINC000141219759 345860074 /nfs/dbraw/zinc/86/00/74/345860074.db2.gz ARYZAINERCLZNL-UHFFFAOYSA-N 0 0 204.273 2.316 10 0 BEAERN Cc1nc2ncnn2c(Cl)c1C(C)C ZINC000061688969 345827808 /nfs/dbraw/zinc/82/78/08/345827808.db2.gz YNRKCLCRXMHDQE-UHFFFAOYSA-N 0 0 210.668 2.210 10 0 BEAERN CCOC(=O)Nc1cnccc1Cl ZINC000141007696 345828449 /nfs/dbraw/zinc/82/84/49/345828449.db2.gz SDASIFDIIJNXNM-UHFFFAOYSA-N 0 0 200.625 2.303 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Cc1cccc(F)c1 ZINC000034417217 345828617 /nfs/dbraw/zinc/82/86/17/345828617.db2.gz KEKSGVPFRWBHML-VIFPVBQESA-N 0 0 238.258 2.137 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Cc1cccc(F)c1 ZINC000034417218 345828676 /nfs/dbraw/zinc/82/86/76/345828676.db2.gz KEKSGVPFRWBHML-SECBINFHSA-N 0 0 238.258 2.137 10 0 BEAERN COc1ccc(/C(=C\F)CO)cc1OC ZINC000142354468 345863140 /nfs/dbraw/zinc/86/31/40/345863140.db2.gz GTUNDARKCDZRJV-TWGQIWQCSA-N 0 0 212.220 2.007 10 0 BEAERN C=CC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC000034507334 345830246 /nfs/dbraw/zinc/83/02/46/345830246.db2.gz XACDAJYTAQVYOF-SNVBAGLBSA-N 0 0 241.331 2.045 10 0 BEAERN CCCN(C(=O)CC)[C@H]1Cc2ccc(N)cc2C1 ZINC000034507675 345830280 /nfs/dbraw/zinc/83/02/80/345830280.db2.gz VCUHHBFADQDQHB-AWEZNQCLSA-N 0 0 246.354 2.385 10 0 BEAERN CCOC(=O)C[C@@]1(C)OC(=O)c2ccccc21 ZINC000034542826 345830775 /nfs/dbraw/zinc/83/07/75/345830775.db2.gz UVYCHPZLVGXSOC-CYBMUJFWSA-N 0 0 234.251 2.025 10 0 BEAERN COP(=O)(OC)[C@H](O)c1ccc(C)cc1 ZINC000034454102 345834032 /nfs/dbraw/zinc/83/40/32/345834032.db2.gz CXWWOURIHBVTKT-JTQLQIEISA-N 0 0 230.200 2.472 10 0 BEAERN CC1(C)CCC(C)(C)c2nc(CO)cnc21 ZINC000034453140 345834086 /nfs/dbraw/zinc/83/40/86/345834086.db2.gz JIHCQWZKLUURCP-UHFFFAOYSA-N 0 0 220.316 2.318 10 0 BEAERN CN1c2ccccc2[C@H]2N=NC(=S)N=C21 ZINC000221112873 345863369 /nfs/dbraw/zinc/86/33/69/345863369.db2.gz LNBWEHMRUVSLDR-MRVPVSSYSA-N 0 0 216.269 2.327 10 0 BEAERN CCCCCC[C@@H]([C@@H](C)O)n1cnc(CO)c1 ZINC000034633635 345837261 /nfs/dbraw/zinc/83/72/61/345837261.db2.gz CDVIUGQUHCYOPP-YPMHNXCESA-N 0 0 240.347 2.268 10 0 BEAERN CC#CC[C@H](C)C(=O)CP(=O)(OC)OC ZINC000034613951 345837987 /nfs/dbraw/zinc/83/79/87/345837987.db2.gz QAQKMSOVMMCNSE-VIFPVBQESA-N 0 0 232.216 2.091 10 0 BEAERN COc1ccc([C@@H]2CCCC(=O)N2)cc1 ZINC000214962106 345838809 /nfs/dbraw/zinc/83/88/09/345838809.db2.gz RQHAEDMFXQGDNB-NSHDSACASA-N 0 0 205.257 2.036 10 0 BEAERN CSCCCC(=O)N(C)Cc1ccco1 ZINC000128264716 345839045 /nfs/dbraw/zinc/83/90/45/345839045.db2.gz BEBMAUZSMFDPHF-UHFFFAOYSA-N 0 0 227.329 2.381 10 0 BEAERN O=C(NC[C@H]1CCC[C@H]1O)C1CCC=CCC1 ZINC000635619182 345896126 /nfs/dbraw/zinc/89/61/26/345896126.db2.gz YCPCTBUZHMEZBR-CHWSQXEVSA-N 0 0 237.343 2.010 10 0 BEAERN O=c1nc[nH]c2sc(Cc3ccccc3)nc21 ZINC000143818087 345866807 /nfs/dbraw/zinc/86/68/07/345866807.db2.gz UIJXBRXMQLYCOX-UHFFFAOYSA-N 0 0 243.291 2.383 10 0 BEAERN Cc1ccncc1-c1cn[nH]c(=S)c1 ZINC000235777202 345867348 /nfs/dbraw/zinc/86/73/48/345867348.db2.gz OIIJKGPUENBHCJ-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN Cc1cc(N)cnc1Cc1nccs1 ZINC000235774496 345868375 /nfs/dbraw/zinc/86/83/75/345868375.db2.gz VDXIGLPMYANGLO-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN Cc1cncc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000300431343 345868984 /nfs/dbraw/zinc/86/89/84/345868984.db2.gz WWXYERPJWXFZQG-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN O=Cc1nccn1Cc1cccc(Cl)c1 ZINC000051003470 345875632 /nfs/dbraw/zinc/87/56/32/345875632.db2.gz MEHWDOCEDBNBGV-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN Nc1nn(CC2CC(F)(F)C2)cc1Cl ZINC000306753351 537917269 /nfs/dbraw/zinc/91/72/69/537917269.db2.gz MEBKRDYNVDXXBQ-UHFFFAOYSA-N 0 0 221.638 2.164 10 0 BEAERN Cc1ccc(Cl)cc1-n1cc(C=O)nn1 ZINC000085272218 345929355 /nfs/dbraw/zinc/92/93/55/345929355.db2.gz BEUFXACSWJWZBO-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187111636 187311684 /nfs/dbraw/zinc/31/16/84/187311684.db2.gz WKTBELBCACKLSA-JTQLQIEISA-N 0 0 210.302 2.135 10 0 BEAERN Cc1cc(Cl)cc2c1OC[C@H](CO)C2 ZINC000235794585 345904561 /nfs/dbraw/zinc/90/45/61/345904561.db2.gz WISHKESPSAGUCF-QMMMGPOBSA-N 0 0 212.676 2.192 10 0 BEAERN Cc1cc(=S)[nH]c(CC(F)(F)F)n1 ZINC000235791656 345904935 /nfs/dbraw/zinc/90/49/35/345904935.db2.gz LDYMGHWHUZUEIG-UHFFFAOYSA-N 0 0 208.208 2.179 10 0 BEAERN CC1=C2C(=CC1)[C@@](C)(O)CC[C@H]1[C@H](C)C(=O)O[C@H]21 ZINC000004097999 290763801 /nfs/dbraw/zinc/76/38/01/290763801.db2.gz BXBCLQRTBGRRDB-MJVIGCOGSA-N 0 0 248.322 2.356 10 0 biogenic,in-vitro BEAERN CCc1c2ccccc2oc1C(=O)C=O ZINC000148317139 345913739 /nfs/dbraw/zinc/91/37/39/345913739.db2.gz QVWDSSPDKPDDFA-UHFFFAOYSA-N 0 0 202.209 2.377 10 0 BEAERN C[C@]1(c2cc(Cl)cnc2N)CCC(=O)C1 ZINC000166873672 345924523 /nfs/dbraw/zinc/92/45/23/345924523.db2.gz FZESXRNMPOCTHO-NSHDSACASA-N 0 0 224.691 2.328 10 0 BEAERN C[C@@H](O)c1cc(=O)c(OCc2ccccc2)co1 ZINC000307741979 345933136 /nfs/dbraw/zinc/93/31/36/345933136.db2.gz SVIUYJBFHLQNJO-SNVBAGLBSA-N 0 0 246.262 2.272 10 0 BEAERN C=CC[C@@H](O)c1nccc(Cl)c1F ZINC000145326668 345934501 /nfs/dbraw/zinc/93/45/01/345934501.db2.gz CNXFNZDSEHVGEV-SSDOTTSWSA-N 0 0 201.628 2.484 10 0 BEAERN Nc1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000088417484 345944479 /nfs/dbraw/zinc/94/44/79/345944479.db2.gz JXDQWNWBQDWHAH-QMMMGPOBSA-N 0 0 245.248 2.443 10 0 BEAERN Cc1cc(C)c([C@@H](O)CC2OCCO2)c(F)c1 ZINC000235840665 345946954 /nfs/dbraw/zinc/94/69/54/345946954.db2.gz UNZIKDAWWRUEQX-NSHDSACASA-N 0 0 240.274 2.239 10 0 BEAERN CC[C@@H](C)Oc1ncc(Cl)cc1N ZINC000148328689 345968604 /nfs/dbraw/zinc/96/86/04/345968604.db2.gz FVOFZJQGVIXEHV-ZCFIWIBFSA-N 0 0 200.669 2.495 10 0 BEAERN C[C@H]1C[C@@H]1Cn1ncc2ccc(N)cc21 ZINC000722664562 537929765 /nfs/dbraw/zinc/92/97/65/537929765.db2.gz KCVRBXBIITUHIW-WCBMZHEXSA-N 0 0 201.273 2.275 10 0 BEAERN COc1cnc(Cl)nc1CBr ZINC000147168453 346004513 /nfs/dbraw/zinc/00/45/13/346004513.db2.gz LNLBBGQZPRIRGZ-UHFFFAOYSA-N 0 0 237.484 2.034 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1n1cc[nH]c1=S ZINC000148622815 346037769 /nfs/dbraw/zinc/03/77/69/346037769.db2.gz YBKFOXPGVREKPD-RKDXNWHRSA-N 0 0 211.334 2.071 10 0 BEAERN Cc1cc(C)cc(-c2cc(=O)[nH]c(=S)[nH]2)c1 ZINC000148686205 346039494 /nfs/dbraw/zinc/03/94/94/346039494.db2.gz LYEPZJCQFFDKNA-UHFFFAOYSA-N 0 0 232.308 2.342 10 0 BEAERN Nc1nc2cc(Cl)cnc2n1C1CC1 ZINC000148774342 346047918 /nfs/dbraw/zinc/04/79/18/346047918.db2.gz WQUKFMVLBYLRFQ-UHFFFAOYSA-N 0 0 208.652 2.002 10 0 BEAERN COC(=O)c1ccc(C(=O)C(F)(F)Cl)cc1 ZINC000390492673 346073504 /nfs/dbraw/zinc/07/35/04/346073504.db2.gz QALCAFUILSNGOU-UHFFFAOYSA-N 0 0 248.612 2.488 10 0 BEAERN Nc1ccc2[nH]c(CC(F)(F)F)nc2c1 ZINC000019440672 187313974 /nfs/dbraw/zinc/31/39/74/187313974.db2.gz YRGLXGZVAOGLQY-UHFFFAOYSA-N 0 0 215.178 2.250 10 0 BEAERN CC(=O)c1ccc(Sc2nncn2C)cc1 ZINC000019871811 187314221 /nfs/dbraw/zinc/31/42/21/187314221.db2.gz ZQSMUXPSXDCGEQ-UHFFFAOYSA-N 0 0 233.296 2.169 10 0 BEAERN COC(=O)[C@@]1(C[C@H]2CO2)C[C@H](C)C[C@H](C)C1 ZINC000669371828 537949036 /nfs/dbraw/zinc/94/90/36/537949036.db2.gz ASEQTDBXIWOYQX-SRRSOLGSSA-N 0 0 226.316 2.391 10 0 BEAERN C[C@@H](NC(=O)N1CCCC1(C)C)[C@@H]1CCCO1 ZINC000077515952 537947894 /nfs/dbraw/zinc/94/78/94/537947894.db2.gz WTBSZZFLTKHONV-MNOVXSKESA-N 0 0 240.347 2.138 10 0 BEAERN C[C@@H](NC(=O)N1CCCC1(C)C)[C@H]1CCCO1 ZINC000077515959 537947899 /nfs/dbraw/zinc/94/78/99/537947899.db2.gz WTBSZZFLTKHONV-GHMZBOCLSA-N 0 0 240.347 2.138 10 0 BEAERN CCOC(=O)c1nc2cc(Cl)ccn2c1C ZINC000096320911 346112243 /nfs/dbraw/zinc/11/22/43/346112243.db2.gz CJQYJSUVHVFWMK-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN Fc1c[nH]c2c1cncc2Br ZINC000096320878 346112289 /nfs/dbraw/zinc/11/22/89/346112289.db2.gz KRDIZQSRYYWOBT-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN CCOC(=O)c1nc2ccc(Cl)cn2c1C ZINC000096321412 346112705 /nfs/dbraw/zinc/11/27/05/346112705.db2.gz AVCZQGMFNVDCRM-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN COc1cc(C(C)=O)c(N)cc1Br ZINC000669372178 537948432 /nfs/dbraw/zinc/94/84/32/537948432.db2.gz LBCPOMJPEPUDGK-UHFFFAOYSA-N 0 0 244.088 2.243 10 0 BEAERN CCOC(=O)CC1(O)C[C@H](C)C[C@@H](C)C1 ZINC000082832126 537943235 /nfs/dbraw/zinc/94/32/35/537943235.db2.gz RZYGKQMLHSHNGK-NXEZZACHSA-N 0 0 214.305 2.127 10 0 BEAERN COC(=O)[C@]1(C[C@H]2CO2)CCC[C@@H](C)C1 ZINC000669372166 537949129 /nfs/dbraw/zinc/94/91/29/537949129.db2.gz KFHWVECTMTXCTD-JFGNBEQYSA-N 0 0 212.289 2.145 10 0 BEAERN CSc1nc(N)c(Cl)c(Cl)n1 ZINC000149979840 346166047 /nfs/dbraw/zinc/16/60/47/346166047.db2.gz CBILNODYOHMUHW-UHFFFAOYSA-N 0 0 210.089 2.088 10 0 BEAERN CCOC(=O)/C=C/[C@@H]1CCCC[C@H]1C=O ZINC000150286977 346169929 /nfs/dbraw/zinc/16/99/29/346169929.db2.gz NWXUWDUIJWVWOJ-IJUHFESZSA-N 0 0 210.273 2.111 10 0 BEAERN C[C@H](CC(=O)N1CC=CCN1)CC(C)(C)C ZINC000628225150 346172233 /nfs/dbraw/zinc/17/22/33/346172233.db2.gz NTILETMKMCGLMZ-LLVKDONJSA-N 0 0 224.348 2.352 10 0 BEAERN CCCC[C@@H](c1ccccc1)S(=O)(=O)NC ZINC000669375430 537954752 /nfs/dbraw/zinc/95/47/52/537954752.db2.gz KEFKGXDZDBJJLM-LBPRGKRZSA-N 0 0 241.356 2.467 10 0 BEAERN Cc1nc(C)c(-c2onc(N)c2C)s1 ZINC000235953991 346174903 /nfs/dbraw/zinc/17/49/03/346174903.db2.gz JVQIRTHJGQFWHP-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN Cc1nn(C(C)C)c2nc(Cl)ncc12 ZINC000669372626 537950355 /nfs/dbraw/zinc/95/03/55/537950355.db2.gz UBGYCJQIGNSXAU-UHFFFAOYSA-N 0 0 210.668 2.369 10 0 BEAERN Cc1csc(-c2nnc(N)o2)c1Cl ZINC000235960218 346175610 /nfs/dbraw/zinc/17/56/10/346175610.db2.gz IOPCUEZIETWNAK-UHFFFAOYSA-N 0 0 215.665 2.342 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CC[C@H](C)[C@H](C)C1 ZINC000669372723 537950418 /nfs/dbraw/zinc/95/04/18/537950418.db2.gz XLKZZSXQPPMRNL-SBFPOUOMSA-N 0 0 226.316 2.391 10 0 BEAERN CCOC(=O)c1cc(C=O)n(C(C)C)c1 ZINC000669372666 537950444 /nfs/dbraw/zinc/95/04/44/537950444.db2.gz VXJZZWWNMUXPEO-UHFFFAOYSA-N 0 0 209.245 2.058 10 0 BEAERN Cc1noc(-c2cc(O)ccc2Cl)n1 ZINC000235968903 346175924 /nfs/dbraw/zinc/17/59/24/346175924.db2.gz CSBMIOMNCWLGFY-UHFFFAOYSA-N 0 0 210.620 2.404 10 0 BEAERN Cc1ncc(-c2onc(N)c2Cl)s1 ZINC000235962903 346176200 /nfs/dbraw/zinc/17/62/00/346176200.db2.gz KLKIOLGDLFNQLH-UHFFFAOYSA-N 0 0 215.665 2.342 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CC(C)(C)C[C@@H]1C ZINC000669372693 537950674 /nfs/dbraw/zinc/95/06/74/537950674.db2.gz WMFYDFKEVGWFAK-OPQQBVKSSA-N 0 0 226.316 2.391 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCCC12CCCC2 ZINC000669375122 537952805 /nfs/dbraw/zinc/95/28/05/537952805.db2.gz FEIYWRVERWSVFX-JTQLQIEISA-N 0 0 231.361 2.039 10 0 BEAERN N#C[C@H](NCc1ccccc1)C1(F)CCOCC1 ZINC000149849176 346161554 /nfs/dbraw/zinc/16/15/54/346161554.db2.gz UAVRYOSCIKDTCD-ZDUSSCGKSA-N 0 0 248.301 2.187 10 0 BEAERN O=[S@@](c1cccc(F)c1)C(F)(F)F ZINC000034109398 346199932 /nfs/dbraw/zinc/19/99/32/346199932.db2.gz FWTZQTCQDIWHLZ-CYBMUJFWSA-N 0 0 212.167 2.453 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000669375716 537955863 /nfs/dbraw/zinc/95/58/63/537955863.db2.gz RQLKJSVCXVNRJD-NXEZZACHSA-N 0 0 233.377 2.141 10 0 BEAERN CO[C@H](C)CNc1cc(F)cc(F)c1 ZINC000166993063 346180262 /nfs/dbraw/zinc/18/02/62/346180262.db2.gz KPBHQLRSHKTOHJ-SSDOTTSWSA-N 0 0 201.216 2.412 10 0 BEAERN Cc1cccc(-c2nc(N)nc(Cl)n2)c1 ZINC000072192355 178996695 /nfs/dbraw/zinc/99/66/95/178996695.db2.gz YDFHECLAIIYQNQ-UHFFFAOYSA-N 0 0 220.663 2.083 10 0 BEAERN O=c1[nH][nH]c2c1c(Cl)ccc2Cl ZINC000236047889 346186690 /nfs/dbraw/zinc/18/66/90/346186690.db2.gz FROFYTIUKUKEON-UHFFFAOYSA-N 0 0 203.028 2.163 10 0 BEAERN Fc1c(Br)cccc1C1(F)CNC1 ZINC000236123947 346193887 /nfs/dbraw/zinc/19/38/87/346193887.db2.gz PWHYUDYXWHJNEY-UHFFFAOYSA-N 0 0 248.070 2.356 10 0 BEAERN CCNC(=S)N1CC[C@H]2CCCC[C@H]21 ZINC000136341104 346194504 /nfs/dbraw/zinc/19/45/04/346194504.db2.gz JYJCCDXYMOUHSR-NXEZZACHSA-N 0 0 212.362 2.145 10 0 BEAERN O=c1cc(C(F)(F)F)c(C(F)(F)F)c[nH]1 ZINC000034169162 346214248 /nfs/dbraw/zinc/21/42/48/346214248.db2.gz FJBKBZVIDGHXKX-UHFFFAOYSA-N 0 0 231.095 2.413 10 0 BEAERN Cc1cccc(C(=O)CN2CCCC2)c1 ZINC000037332186 179004647 /nfs/dbraw/zinc/00/46/47/179004647.db2.gz VFMAPHRCFINFBR-UHFFFAOYSA-N 0 0 203.285 2.274 10 0 BEAERN Cc1cccc(C(=O)Cn2ccnc2)c1 ZINC000034224016 346230845 /nfs/dbraw/zinc/23/08/45/346230845.db2.gz ADHATLWNWBLMQG-UHFFFAOYSA-N 0 0 200.241 2.074 10 0 BEAERN Nc1cncc(Br)c1OC1CCC1 ZINC000236375682 346231756 /nfs/dbraw/zinc/23/17/56/346231756.db2.gz ASDNPGISGLROKS-UHFFFAOYSA-N 0 0 243.104 2.358 10 0 BEAERN Cc1cccc(C(=O)N2CCC(C)CC2)c1N ZINC000022143035 179006600 /nfs/dbraw/zinc/00/66/00/179006600.db2.gz OXIZADDJRQBFRX-UHFFFAOYSA-N 0 0 232.327 2.449 10 0 BEAERN NNc1c(F)ccc(Br)c1F ZINC000236281002 346220292 /nfs/dbraw/zinc/22/02/92/346220292.db2.gz NYQGSVBZLFPIIV-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN COC1(c2nsc(Cl)n2)CCC1 ZINC000158925677 346225399 /nfs/dbraw/zinc/22/53/99/346225399.db2.gz AVPXHNBFWWGIJB-UHFFFAOYSA-N 0 0 204.682 2.217 10 0 BEAERN CN(C)/C=C(/C(=O)C(F)(F)F)c1ccncc1 ZINC000034218541 346226478 /nfs/dbraw/zinc/22/64/78/346226478.db2.gz YWBADQSQBJMUCH-VQHVLOKHSA-N 0 0 244.216 2.116 10 0 BEAERN O=C1OCc2cc(Br)ccc2O1 ZINC000216568276 537961469 /nfs/dbraw/zinc/96/14/69/537961469.db2.gz MLJRPWYJBYEIHN-UHFFFAOYSA-N 0 0 229.029 2.478 10 0 BEAERN C[C@@H](CC(F)(F)F)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300675801 346247379 /nfs/dbraw/zinc/24/73/79/346247379.db2.gz TZAYXLNUGWAPQT-MAUMQABQSA-N 0 0 235.249 2.490 10 0 BEAERN CC(=O)OCc1ccc2c(n1)CCCCC2 ZINC000196566521 187317173 /nfs/dbraw/zinc/31/71/73/187317173.db2.gz GJFZATNYTJPTLK-UHFFFAOYSA-N 0 0 219.284 2.414 10 0 BEAERN O[C@@H](c1cc[nH]c1)c1ccoc1Br ZINC000236545115 346250769 /nfs/dbraw/zinc/25/07/69/346250769.db2.gz XGLGRVTYHCTEIE-QMMMGPOBSA-N 0 0 242.072 2.452 10 0 BEAERN COC(=O)c1c(OC)cc(Cl)cc1OC ZINC000034349559 346251349 /nfs/dbraw/zinc/25/13/49/346251349.db2.gz DPDHOEOCNFXLLG-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN CNS(=O)(=O)[C@H](C)c1cc2ccccc2o1 ZINC000669376455 537960553 /nfs/dbraw/zinc/96/05/53/537960553.db2.gz SZUAMXJGPRPKJX-MRVPVSSYSA-N 0 0 239.296 2.043 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCC12CCCCC2 ZINC000669376482 537961101 /nfs/dbraw/zinc/96/11/01/537961101.db2.gz VFDBKPJPTPWAQU-SNVBAGLBSA-N 0 0 231.361 2.039 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2C[C@H]2C)c1C ZINC000068150104 179024469 /nfs/dbraw/zinc/02/44/69/179024469.db2.gz UJEVYIOPSTXTNB-SKDRFNHKSA-N 0 0 203.285 2.442 10 0 BEAERN COc1cc(C(N)=S)ccc1OC(C)C ZINC000005592432 346267175 /nfs/dbraw/zinc/26/71/75/346267175.db2.gz ZJWGVRSFTHBYOG-UHFFFAOYSA-N 0 0 225.313 2.117 10 0 BEAERN Nc1ccccc1[S@@](=O)c1ccccc1 ZINC000005593684 346269598 /nfs/dbraw/zinc/26/95/98/346269598.db2.gz JLOIOAHBUWWPRI-OAHLLOKOSA-N 0 0 217.293 2.436 10 0 BEAERN CC(C)(C)C(=O)[C@@H](N)c1ccc(F)cc1 ZINC000669376696 537962393 /nfs/dbraw/zinc/96/23/93/537962393.db2.gz IQTDVQGBTXZVLQ-JTQLQIEISA-N 0 0 209.264 2.441 10 0 BEAERN COC[C@@H](C)n1ccc2c1cccc2N ZINC000308607675 537965861 /nfs/dbraw/zinc/96/58/61/537965861.db2.gz IITNTWFNFKOKRO-SECBINFHSA-N 0 0 204.273 2.431 10 0 BEAERN Fc1c(Br)ccc2c1OCCO2 ZINC000039233552 346287395 /nfs/dbraw/zinc/28/73/95/346287395.db2.gz QJCKGBXJJJNLKE-UHFFFAOYSA-N 0 0 233.036 2.359 10 0 BEAERN CCC1CCC(Nc2cc(C#N)cnn2)CC1 ZINC000396889953 349952102 /nfs/dbraw/zinc/95/21/02/349952102.db2.gz AHTCYZAOMTVBEI-UHFFFAOYSA-N 0 0 230.315 2.151 10 0 BEAERN Cc1cccc(C)c1OCC(=O)N[C@@H]1C[C@@H]1C ZINC000075529665 179045950 /nfs/dbraw/zinc/04/59/50/179045950.db2.gz SUBBKOXVBPTQMO-NWDGAFQWSA-N 0 0 233.311 2.207 10 0 BEAERN CC1(C)CC=C(c2nc(-c3nc[nH]n3)no2)CC1 ZINC000333887273 187366831 /nfs/dbraw/zinc/36/68/31/187366831.db2.gz XWABFEWFGWYADX-UHFFFAOYSA-N 0 0 245.286 2.448 10 0 BEAERN C[C@H]1CCC[C@H](C)N1n1cc[nH]c1=S ZINC000148622604 346363810 /nfs/dbraw/zinc/36/38/10/346363810.db2.gz YBKFOXPGVREKPD-IUCAKERBSA-N 0 0 211.334 2.071 10 0 BEAERN Cc1cccc(CCc2cc(N)n[nH]2)c1 ZINC000041210781 179062483 /nfs/dbraw/zinc/06/24/83/179062483.db2.gz MDFXOJWNMYBFCM-UHFFFAOYSA-N 0 0 201.273 2.086 10 0 BEAERN O=C(CC1CCSCC1)[C@@H]1CCOC1 ZINC000157610752 346383603 /nfs/dbraw/zinc/38/36/03/346383603.db2.gz ZZCIYPJAZRORRG-SNVBAGLBSA-N 0 0 214.330 2.125 10 0 BEAERN Cc1sc(N)nc1-c1ccc(F)cn1 ZINC000158797656 346402571 /nfs/dbraw/zinc/40/25/71/346402571.db2.gz OKDHTWBCVXCWGT-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Cc1c(NCC2CCC(C)CC2)nnn1C ZINC000641781457 362722228 /nfs/dbraw/zinc/72/22/28/362722228.db2.gz RFVXOACLTRCZJU-UHFFFAOYSA-N 0 0 222.336 2.362 10 0 BEAERN Cc1nc(C(=O)[O-])sc1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669379326 537977166 /nfs/dbraw/zinc/97/71/66/537977166.db2.gz CBNWFGXHSORJJX-HTRCEHHLSA-N 0 0 240.328 2.005 10 0 BEAERN CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000334185932 346439041 /nfs/dbraw/zinc/43/90/41/346439041.db2.gz FASAKMNJKJWJPF-GFCCVEGCSA-N 0 0 219.332 2.445 10 0 BEAERN COC(=O)c1csc(-c2cscn2)n1 ZINC000167663307 346449512 /nfs/dbraw/zinc/44/95/12/346449512.db2.gz JVYCIFMAMPXRCJ-UHFFFAOYSA-N 0 0 226.282 2.053 10 0 BEAERN CO[C@@H]1[C@H](C)[C@@H](NCC(C)(F)F)C12CCC2 ZINC000382039110 347093900 /nfs/dbraw/zinc/09/39/00/347093900.db2.gz WXPXQXLYMOXFJQ-OPRDCNLKSA-N 0 0 233.302 2.435 10 0 BEAERN Cn1cc(Br)c2ccc(F)nc21 ZINC000149192900 346504357 /nfs/dbraw/zinc/50/43/57/346504357.db2.gz NHFNIYPPRZGNAN-UHFFFAOYSA-N 0 0 229.052 2.475 10 0 BEAERN Cc1c2nnc(C3CC3)n2nc(Cl)c1C ZINC000162119812 346510429 /nfs/dbraw/zinc/51/04/29/346510429.db2.gz USAGUMMJQOLIRX-UHFFFAOYSA-N 0 0 222.679 2.272 10 0 BEAERN CCN(Cc1cccs1)C(=O)[C@H](C)COC ZINC000103361079 346519987 /nfs/dbraw/zinc/51/99/87/346519987.db2.gz NJNUAQCKBLGYIU-SNVBAGLBSA-N 0 0 241.356 2.379 10 0 BEAERN Cc1cccc(Cc2nsc(N)n2)c1 ZINC000043561037 179108236 /nfs/dbraw/zinc/10/82/36/179108236.db2.gz IYFGPQLIZJYGKP-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN C[C@@H]1Sc2ncc(Cl)cc2NC1=O ZINC000162420127 346522972 /nfs/dbraw/zinc/52/29/72/346522972.db2.gz XCMOFEZQKGXSNH-BYPYZUCNSA-N 0 0 214.677 2.168 10 0 BEAERN CON(C)c1ncc(Br)cc1C ZINC000163479103 346561626 /nfs/dbraw/zinc/56/16/26/346561626.db2.gz KKSHNNNLCDORBR-UHFFFAOYSA-N 0 0 231.093 2.150 10 0 BEAERN Cc1cccc(N)c1C(=O)Nc1nccs1 ZINC000022215045 179118766 /nfs/dbraw/zinc/11/87/66/179118766.db2.gz WPBPDQAFDPGECL-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN CCNc1cnc(C(F)(F)F)cc1N ZINC000149041850 346529353 /nfs/dbraw/zinc/52/93/53/346529353.db2.gz DBIDNGVLOKYOAY-UHFFFAOYSA-N 0 0 205.183 2.114 10 0 BEAERN CC1(C)C[C@@H](NC2COC2)c2ccccc2O1 ZINC000163029527 346545724 /nfs/dbraw/zinc/54/57/24/346545724.db2.gz JDHIQKYCYAHHCJ-GFCCVEGCSA-N 0 0 233.311 2.277 10 0 BEAERN CCc1csc(-c2ccnc(C)n2)n1 ZINC000164718301 346619614 /nfs/dbraw/zinc/61/96/14/346619614.db2.gz DLBXRBPCNWATJX-UHFFFAOYSA-N 0 0 205.286 2.471 10 0 BEAERN Cc1cccc(NC(=O)CC[C@H](C)O)c1C ZINC000049818405 179127684 /nfs/dbraw/zinc/12/76/84/179127684.db2.gz HIMVBPQTXYSKQZ-JTQLQIEISA-N 0 0 221.300 2.403 10 0 BEAERN CC(C)(C)OC(=O)[C@]1(C)CCCCCN1 ZINC000669380141 537984615 /nfs/dbraw/zinc/98/46/15/537984615.db2.gz QSJGWLZUWOBASC-LBPRGKRZSA-N 0 0 213.321 2.250 10 0 BEAERN CC(C)c1nccnc1N1CCC(CCO)CC1 ZINC000580167113 346590365 /nfs/dbraw/zinc/59/03/65/346590365.db2.gz CHXSUYPWGQKOAC-UHFFFAOYSA-N 0 0 249.358 2.199 10 0 BEAERN C[C@@H]1CC[C@H](n2ncc(C=O)c2N)C[C@H]1C ZINC000725242367 537984123 /nfs/dbraw/zinc/98/41/23/537984123.db2.gz XKDMVAJLZHUDDE-KKZNHRDASA-N 0 0 221.304 2.275 10 0 BEAERN CC1(C)CCC[C@@](O)(CNc2ncns2)C1 ZINC000302506367 346606558 /nfs/dbraw/zinc/60/65/58/346606558.db2.gz QRGZMTSASVPMCG-NSHDSACASA-N 0 0 241.360 2.281 10 0 BEAERN C[C@]1(C(=O)C[C@@H]2CCCO2)CCCS1 ZINC000164752982 346623035 /nfs/dbraw/zinc/62/30/35/346623035.db2.gz PDBDFKKVZVQQKJ-GXSJLCMTSA-N 0 0 214.330 2.410 10 0 BEAERN N[C@@]1(C(F)(F)F)CCCc2occc21 ZINC000169277807 346758843 /nfs/dbraw/zinc/75/88/43/346758843.db2.gz JIHXJDLPMFVZOB-QMMMGPOBSA-N 0 0 205.179 2.332 10 0 BEAERN COc1cccc2c1CC(=O)[C@H](CCC#N)C2 ZINC000168743342 346742335 /nfs/dbraw/zinc/74/23/35/346742335.db2.gz WKDOLFGAMCTECA-LLVKDONJSA-N 0 0 229.279 2.283 10 0 BEAERN Cc1cccc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000037670702 179153894 /nfs/dbraw/zinc/15/38/94/179153894.db2.gz IFYNYQYEFNNXAS-WDEREUQCSA-N 0 0 206.289 2.369 10 0 BEAERN Cc1cccc(Nc2ncnc(N(C)C)c2N)c1 ZINC000040723501 179159924 /nfs/dbraw/zinc/15/99/24/179159924.db2.gz AQLYJXYBAXGWMG-UHFFFAOYSA-N 0 0 243.314 2.177 10 0 BEAERN Cc1cccc(OCCCn2ccc(N)n2)c1 ZINC000067800431 179166784 /nfs/dbraw/zinc/16/67/84/179166784.db2.gz KVBVCLNGMPDNFW-UHFFFAOYSA-N 0 0 231.299 2.243 10 0 BEAERN Cc1cccc(OC[C@H]2CN(C)C(=O)O2)c1C ZINC000028705297 179172565 /nfs/dbraw/zinc/17/25/65/179172565.db2.gz UWNKJJCNLMBGKB-LLVKDONJSA-N 0 0 235.283 2.133 10 0 BEAERN OCC(CO)Cc1ccc(-c2ccccc2)cc1 ZINC000038675746 347163908 /nfs/dbraw/zinc/16/39/08/347163908.db2.gz PCKFGBPVDIODCI-UHFFFAOYSA-N 0 0 242.318 2.497 10 0 BEAERN COC(=O)[C@@H]1CC[C@H](c2ccccc2Cl)N1 ZINC000117841130 347203629 /nfs/dbraw/zinc/20/36/29/347203629.db2.gz FJGSPUSDFJFLDO-MNOVXSKESA-N 0 0 239.702 2.306 10 0 BEAERN CCCN(CCC)C(=O)c1ccccc1CO ZINC000039020196 347175155 /nfs/dbraw/zinc/17/51/55/347175155.db2.gz YQYJLQZWEVVZKY-UHFFFAOYSA-N 0 0 235.327 2.441 10 0 BEAERN N#CC1(C#N)O[C@H]1c1cccc(Cl)c1 ZINC000039252263 347186752 /nfs/dbraw/zinc/18/67/52/347186752.db2.gz QHTCMUIWJSESBR-VIFPVBQESA-N 0 0 204.616 2.197 10 0 BEAERN NC(=O)c1cccc2cc(-c3cccnc3)cnc21 ZINC000059085953 347227407 /nfs/dbraw/zinc/22/74/07/347227407.db2.gz ISYIBOHRDFSGTP-UHFFFAOYSA-N 0 0 249.273 2.396 10 0 BEAERN Cc1cccc2c(=O)oc(NC(C)C)nc12 ZINC000027525721 179208630 /nfs/dbraw/zinc/20/86/30/179208630.db2.gz HHMMGNGPTWAFBB-UHFFFAOYSA-N 0 0 218.256 2.317 10 0 BEAERN CC(C)N1CCNc2cc(Cl)cnc21 ZINC000149597529 347354723 /nfs/dbraw/zinc/35/47/23/347354723.db2.gz MYUNMRVOQGJGJA-UHFFFAOYSA-N 0 0 211.696 2.375 10 0 BEAERN Cc1cccc2c1ccn2CCn1ccc(N)n1 ZINC000071378542 179225116 /nfs/dbraw/zinc/22/51/16/179225116.db2.gz LTMNSKOSRLRNKV-UHFFFAOYSA-N 0 0 240.310 2.429 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(F)cc2)O1 ZINC000133570922 136750225 /nfs/dbraw/zinc/75/02/25/136750225.db2.gz RUESQPIMOZOVDP-BXKDBHETSA-N 0 0 237.274 2.356 10 0 BEAERN Cc1cccc2oc([C@H](N)Cc3c[nH]cn3)nc21 ZINC000038052748 179233449 /nfs/dbraw/zinc/23/34/49/179233449.db2.gz PMZQHSMKHLYOND-SNVBAGLBSA-N 0 0 242.282 2.102 10 0 BEAERN CCc1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725242988 537989992 /nfs/dbraw/zinc/98/99/92/537989992.db2.gz DXDBXCQITQNDMV-UHFFFAOYSA-N 0 0 219.288 2.429 10 0 BEAERN CCCN(C(=O)c1cccc(F)c1N)C1CC1 ZINC000054207293 1172092402 /nfs/dbraw/zinc/09/24/02/1172092402.db2.gz IVNUHRYKRGMQKA-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN Cc1ccccc1C(=O)NC[C@@H](O)C(C)(C)C ZINC000120444881 179249242 /nfs/dbraw/zinc/24/92/42/179249242.db2.gz KGBLXMUUMHBFNP-GFCCVEGCSA-N 0 0 235.327 2.132 10 0 BEAERN Nc1[nH]c(=O)n(Cc2ccccc2)c1C1CCC1 ZINC000149721048 347502091 /nfs/dbraw/zinc/50/20/91/347502091.db2.gz CXRMYLVHQGJTRP-LBPRGKRZSA-N 0 0 243.310 2.148 10 0 BEAERN Cc1ccccc1CC(=O)N[C@@H]1C[C@@H]1C ZINC000075529641 179258587 /nfs/dbraw/zinc/25/85/87/179258587.db2.gz MKQVWMCENLWKGO-CMPLNLGQSA-N 0 0 203.285 2.062 10 0 BEAERN Cc1ccccc1CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000076365804 179257060 /nfs/dbraw/zinc/25/70/60/179257060.db2.gz TZBWZFLGKBJHIZ-BETUJISGSA-N 0 0 247.338 2.173 10 0 BEAERN C[C@@H]1CC[C@@H](Nc2cc(F)ncn2)[C@@H]1C ZINC000150118389 347652316 /nfs/dbraw/zinc/65/23/16/347652316.db2.gz DEUTZMVGTOIRKN-IWSPIJDZSA-N 0 0 209.268 2.462 10 0 BEAERN Nc1cccc(-c2c(F)ccnc2F)n1 ZINC000669380924 537991708 /nfs/dbraw/zinc/99/17/08/537991708.db2.gz SVEJTFRCBZBFSH-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN CC(=O)[C@@H](C(=O)OCc1ccccc1)C1CC1 ZINC000200840799 347685305 /nfs/dbraw/zinc/68/53/05/347685305.db2.gz GORCJNFTGBMXOC-CYBMUJFWSA-N 0 0 232.279 2.345 10 0 BEAERN Nc1cnccc1-c1ccc(C=O)s1 ZINC000616569409 347698587 /nfs/dbraw/zinc/69/85/87/347698587.db2.gz KFECDGDJOZMTIH-UHFFFAOYSA-N 0 0 204.254 2.205 10 0 BEAERN Cc1ccccc1CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000190658070 179280065 /nfs/dbraw/zinc/28/00/65/179280065.db2.gz LCULYSHIMYDSOH-OCCSQVGLSA-N 0 0 247.338 2.426 10 0 BEAERN CC(C)CN(C)C(=O)c1cccc(F)c1N ZINC000054207250 1172094801 /nfs/dbraw/zinc/09/48/01/1172094801.db2.gz UBEWMIHWKJJUHV-UHFFFAOYSA-N 0 0 224.279 2.136 10 0 BEAERN CCOC(=O)Cc1ccc(C)cc1C(C)=O ZINC000216090654 349976650 /nfs/dbraw/zinc/97/66/50/349976650.db2.gz BLVYMJOFRPTOCS-UHFFFAOYSA-N 0 0 220.268 2.303 10 0 BEAERN Cc1ccccc1NC(=O)c1csc(N)n1 ZINC000055185160 179302739 /nfs/dbraw/zinc/30/27/39/179302739.db2.gz BFLMLDRMZSUKNF-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1ccccc1N[C@H](C)C(=O)NC1CC1 ZINC000020300711 179307414 /nfs/dbraw/zinc/30/74/14/179307414.db2.gz SBTCQBAYUGCCAY-SNVBAGLBSA-N 0 0 218.300 2.074 10 0 BEAERN CC(C)[C@@]1(c2ccccc2)CCC(=O)NC1=O ZINC000196270348 347865440 /nfs/dbraw/zinc/86/54/40/347865440.db2.gz IRGJYIKIRNAXEM-CQSZACIVSA-N 0 0 231.295 2.017 10 0 BEAERN c1cc(CN[C@@H]2CCOc3ccccc32)no1 ZINC000148734206 537992894 /nfs/dbraw/zinc/99/28/94/537992894.db2.gz KGOXLTJJYQKGRU-GFCCVEGCSA-N 0 0 230.267 2.288 10 0 BEAERN c1cn2c(n1)nccc2NCc1ccccc1 ZINC000196432259 347882685 /nfs/dbraw/zinc/88/26/85/347882685.db2.gz XOVWVHGFQVJAIB-UHFFFAOYSA-N 0 0 224.267 2.341 10 0 BEAERN CC(C)(C)S(=O)(=O)[C@H]1C=CCCC1 ZINC000196480420 347904276 /nfs/dbraw/zinc/90/42/76/347904276.db2.gz MVDULLGHRRVLFL-VIFPVBQESA-N 0 0 202.319 2.308 10 0 BEAERN Cc1conc1CNCc1ccccc1 ZINC000616570188 347914522 /nfs/dbraw/zinc/91/45/22/347914522.db2.gz FLGUJEXYQOIYPF-UHFFFAOYSA-N 0 0 202.257 2.273 10 0 BEAERN Cc1nn(Cc2ccsc2)c(C)c1C=O ZINC000036868092 347954098 /nfs/dbraw/zinc/95/40/98/347954098.db2.gz PPPFGYIMHHVVPZ-UHFFFAOYSA-N 0 0 220.297 2.422 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2ccccc2CO)C1 ZINC000616613628 349977812 /nfs/dbraw/zinc/97/78/12/349977812.db2.gz ZVEIMJONXGPXRP-LLVKDONJSA-N 0 0 249.310 2.125 10 0 BEAERN CCc1nc2sc(Br)nn2c1C ZINC000036939161 347963753 /nfs/dbraw/zinc/96/37/53/347963753.db2.gz RVRJXZFRYLOZNX-UHFFFAOYSA-N 0 0 246.133 2.424 10 0 BEAERN Clc1cc2nnc(-c3ccoc3)n2cn1 ZINC000036903823 347969805 /nfs/dbraw/zinc/96/98/05/347969805.db2.gz IBZALBNIENZZCR-UHFFFAOYSA-N 0 0 220.619 2.038 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)N1CCOCC1 ZINC000027332179 179336133 /nfs/dbraw/zinc/33/61/33/179336133.db2.gz POWNAVCJWUVJHM-LBPRGKRZSA-N 0 0 248.326 2.098 10 0 BEAERN C=CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037012519 348010425 /nfs/dbraw/zinc/01/04/25/348010425.db2.gz KXXKPDSGQYBHOZ-JGVFFNPUSA-N 0 0 221.222 2.410 10 0 BEAERN COc1nc(OCc2ccccc2)ccc1N ZINC000037068281 348018893 /nfs/dbraw/zinc/01/88/93/348018893.db2.gz YTUQXNSCLHWGCK-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN Cc1ccc(N2CCOCC2=O)cc1Cl ZINC000725244172 537996195 /nfs/dbraw/zinc/99/61/95/537996195.db2.gz IWFRVFXRGKIVPZ-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN Cc1ccccc1[C@@](C)([NH2+]CC1CC1)C(=O)[O-] ZINC000037967305 179332837 /nfs/dbraw/zinc/33/28/37/179332837.db2.gz JIEFRHCIKCUCNY-CQSZACIVSA-N 0 0 233.311 2.294 10 0 BEAERN CC(C)(C)c1ccc(O)c(N2CCOCC2=O)c1 ZINC000725244115 537996281 /nfs/dbraw/zinc/99/62/81/537996281.db2.gz IBRDLKAMFOSYKT-UHFFFAOYSA-N 0 0 249.310 2.053 10 0 BEAERN Cc1ccccc1[C@H](C)SC[C@H](O)CO ZINC000121792240 179340132 /nfs/dbraw/zinc/34/01/32/179340132.db2.gz CCOJYHCFCXXKRE-WDEREUQCSA-N 0 0 226.341 2.142 10 0 BEAERN Cc1c(Cl)cccc1N1CCOCC1=O ZINC000725244173 537996462 /nfs/dbraw/zinc/99/64/62/537996462.db2.gz IXMFBRNQCACVDR-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN CCOC(=O)[C@H]1O[C@]1(C)Cc1cccs1 ZINC000669382440 537997395 /nfs/dbraw/zinc/99/73/95/537997395.db2.gz HMKJDEWVFUNFCB-MWLCHTKSSA-N 0 0 226.297 2.011 10 0 BEAERN CC(=C=CS(C)(=O)=O)c1ccccc1 ZINC000197173839 348116481 /nfs/dbraw/zinc/11/64/81/348116481.db2.gz BECDELDSMFISNR-UHFFFAOYSA-N 0 0 208.282 2.247 10 0 BEAERN Cc1cccnc1-c1noc(NC(C)C)n1 ZINC000053750634 179358418 /nfs/dbraw/zinc/35/84/18/179358418.db2.gz DJOXEYMWVCPYTQ-UHFFFAOYSA-N 0 0 218.260 2.260 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12C[C@@H]1CCCC[C@@H]12 ZINC000669382155 537998678 /nfs/dbraw/zinc/99/86/78/537998678.db2.gz AOIMETFHBNTZHK-XRRVDJEJSA-N 0 0 224.300 2.287 10 0 BEAERN Cc1cccnc1C(F)(F)C(=O)N[C@H]1C[C@H]1C ZINC000194553103 179366642 /nfs/dbraw/zinc/36/66/42/179366642.db2.gz KOYXHKFZLUHNNX-BDAKNGLRSA-N 0 0 240.253 2.006 10 0 BEAERN CC(C)=CC(=O)NCc1c(C)ccc(N)c1C ZINC000616571405 348200932 /nfs/dbraw/zinc/20/09/32/348200932.db2.gz GINCEOIWSSUELF-UHFFFAOYSA-N 0 0 232.327 2.468 10 0 BEAERN C[C@H]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000037256768 348292983 /nfs/dbraw/zinc/29/29/83/348292983.db2.gz XPBCUPVLSBPLNO-UWVGGRQHSA-N 0 0 207.277 2.020 10 0 BEAERN Cc1n[nH]c(C)c1CNCc1ncccc1C ZINC000071339669 179383236 /nfs/dbraw/zinc/38/32/36/179383236.db2.gz MOTNDNXKQGUSLK-UHFFFAOYSA-N 0 0 230.315 2.020 10 0 BEAERN Cc1[nH]c(-c2ccccc2)c2c1C(=O)NCC2 ZINC000224839955 348263523 /nfs/dbraw/zinc/26/35/23/348263523.db2.gz NJMPHYREGABKLA-UHFFFAOYSA-N 0 0 226.279 2.276 10 0 BEAERN Cc1cccnc1N[C@H](CO)Cc1ccccc1 ZINC000063218800 179395459 /nfs/dbraw/zinc/39/54/59/179395459.db2.gz KAMGFCPNFBDHOP-AWEZNQCLSA-N 0 0 242.322 2.406 10 0 BEAERN Cc1ccn(-c2c(F)cc(N)cc2F)n1 ZINC000052855838 179399993 /nfs/dbraw/zinc/39/99/93/179399993.db2.gz DMBLLSQECIXVAT-UHFFFAOYSA-N 0 0 209.199 2.041 10 0 BEAERN COC[C@](C)(O)C1C[C@@H](C)C[C@H](C)C1 ZINC000251705866 362899690 /nfs/dbraw/zinc/89/96/90/362899690.db2.gz BKUZCEIGXDRALE-NHCYSSNCSA-N 0 0 200.322 2.456 10 0 BEAERN CC[C@@H]1CC[C@]2(C1)O[C@@]2(CC)C(=O)OC ZINC000669382795 538002161 /nfs/dbraw/zinc/00/21/61/538002161.db2.gz DGVXSQYNWURHSL-JLLWLGSASA-N 0 0 212.289 2.287 10 0 BEAERN CN(C)CC(=O)c1sccc1Br ZINC000037333606 348340128 /nfs/dbraw/zinc/34/01/28/348340128.db2.gz FYTGOEZJMYNHKJ-UHFFFAOYSA-N 0 0 248.145 2.255 10 0 BEAERN Clc1nsnc1NCc1cccnc1 ZINC000037372280 348355712 /nfs/dbraw/zinc/35/57/12/348355712.db2.gz LNVLVWQURMNPKE-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN Clc1nsnc1Sc1ncccn1 ZINC000037372543 348356539 /nfs/dbraw/zinc/35/65/39/348356539.db2.gz XVNFOCBXRFUSMR-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN C[C@@H](Nc1nsnc1Cl)[C@H]1CCCO1 ZINC000037372412 348356937 /nfs/dbraw/zinc/35/69/37/348356937.db2.gz ROBDFHZDHWMVRM-PHDIDXHHSA-N 0 0 233.724 2.171 10 0 BEAERN Cc1nc2c(cccc2C(F)(F)F)c(=O)[nH]1 ZINC000204724443 348393111 /nfs/dbraw/zinc/39/31/11/348393111.db2.gz FSXNJTMRCMUXSU-UHFFFAOYSA-N 0 0 228.173 2.250 10 0 BEAERN CC[C@H]1c2ccccc2N(C(C)=O)C1=O ZINC000205311539 348488991 /nfs/dbraw/zinc/48/89/91/348488991.db2.gz MNAAFAJGARDSIT-VIFPVBQESA-N 0 0 203.241 2.073 10 0 BEAERN Cc1cccc(N)c1Oc1nncs1 ZINC000128648851 349993618 /nfs/dbraw/zinc/99/36/18/349993618.db2.gz GQZFPKMPISFXTI-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12C[C@@H]1CCCC[C@@H]12 ZINC000669383064 538006446 /nfs/dbraw/zinc/00/64/46/538006446.db2.gz MGNRVKPYKACDPG-MPKXCIJOSA-N 0 0 230.691 2.074 10 0 BEAERN Cc1ccsc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000027915876 179537478 /nfs/dbraw/zinc/53/74/78/179537478.db2.gz PTBUMQRIEWEZCX-ZJUUUORDSA-N 0 0 239.340 2.354 10 0 BEAERN CCc1cc(CC)c(C(=O)OC)c(C)n1 ZINC000669383171 538007618 /nfs/dbraw/zinc/00/76/18/538007618.db2.gz GMYGGTIHWJKDTL-UHFFFAOYSA-N 0 0 207.273 2.301 10 0 BEAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCCCC[C@@H]1C ZINC000222030865 350000025 /nfs/dbraw/zinc/00/00/25/350000025.db2.gz MPLVJDCHHOLBJM-DCAQKATOSA-N 0 0 213.321 2.360 10 0 BEAERN CCCc1noc2nc(CC)cc(N)c12 ZINC000669383527 538008104 /nfs/dbraw/zinc/00/81/04/538008104.db2.gz ILFVMJUDUNRMBU-UHFFFAOYSA-N 0 0 205.261 2.320 10 0 BEAERN Cc1cnc(CNCc2ccc(Cl)o2)cn1 ZINC000061320444 179606306 /nfs/dbraw/zinc/60/63/06/179606306.db2.gz ALGDEKIXIBSSBU-UHFFFAOYSA-N 0 0 237.690 2.321 10 0 BEAERN Clc1cc(-c2ccncc2)cc2ncnn21 ZINC000725246730 538009315 /nfs/dbraw/zinc/00/93/15/538009315.db2.gz UPLRFZJFHYSYEB-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CC[C@H]1CCCC[C@H]1C2 ZINC000669383133 538009372 /nfs/dbraw/zinc/00/93/72/538009372.db2.gz GJIIGZWGUORWDA-BLFANLJRSA-N 0 0 224.300 2.287 10 0 BEAERN COC(=O)[C@@](C)(N)c1cc(Cl)ccc1Cl ZINC000037459694 348614712 /nfs/dbraw/zinc/61/47/12/348614712.db2.gz BXNRCAYIJKGYHS-JTQLQIEISA-N 0 0 248.109 2.340 10 0 BEAERN CC1(C)CCC[C@@H](C[C@@H](C[NH3+])C(=O)[O-])C1 ZINC000725246770 538008775 /nfs/dbraw/zinc/00/87/75/538008775.db2.gz WITGMUZLMMOXGV-UWVGGRQHSA-N 0 0 213.321 2.252 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]1(C)C1CCCC1 ZINC000669383695 538010064 /nfs/dbraw/zinc/01/00/64/538010064.db2.gz JQXQNDGBMHVQHF-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@H]1O[C@@]1(C)CC1CCCCC1 ZINC000669383684 538010481 /nfs/dbraw/zinc/01/04/81/538010481.db2.gz VERZOYOFUSGDSP-PWSUYJOCSA-N 0 0 212.289 2.287 10 0 BEAERN CC1(C)CCC[C@@H](C[C@H](C[NH3+])C(=O)[O-])C1 ZINC000725246771 538009549 /nfs/dbraw/zinc/00/95/49/538009549.db2.gz WITGMUZLMMOXGV-VHSXEESVSA-N 0 0 213.321 2.252 10 0 BEAERN CN(c1nc(N)cs1)c1ccccc1 ZINC000048547281 348672822 /nfs/dbraw/zinc/67/28/22/348672822.db2.gz ZHTNERJVFYCZIB-UHFFFAOYSA-N 0 0 205.286 2.493 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CCCC21CCC1 ZINC000669383562 538011470 /nfs/dbraw/zinc/01/14/70/538011470.db2.gz JKLCVVMYSPACMS-OLZOCXBDSA-N 0 0 224.300 2.431 10 0 BEAERN C[C@H](c1ccncc1)[C@@H](O)C(C)(F)F ZINC000300849418 362929462 /nfs/dbraw/zinc/92/94/62/362929462.db2.gz GXILNUYUHZVQRT-VXNVDRBHSA-N 0 0 201.216 2.201 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCCC[C@@H]2C ZINC000669383898 538013043 /nfs/dbraw/zinc/01/30/43/538013043.db2.gz XHBPZFNSIIJAGK-LSJOCFKGSA-N 0 0 232.707 2.464 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12CCC(C)(C)C2 ZINC000669383874 538013217 /nfs/dbraw/zinc/01/32/17/538013217.db2.gz LUGXDYXTSRCRDA-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1sc([C@H]2CC(=O)N2)cc1Br ZINC000227975226 348816647 /nfs/dbraw/zinc/81/66/47/348816647.db2.gz QDUOAVACHAYGOO-ZCFIWIBFSA-N 0 0 246.129 2.380 10 0 BEAERN CCC(=O)[C@H](CC(=O)C(C)(C)CC)C(=O)OC ZINC000725248382 538015885 /nfs/dbraw/zinc/01/58/85/538015885.db2.gz SRHPNYMIRQQWDS-VIFPVBQESA-N 0 0 242.315 2.150 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12CC1CCC2CC1 ZINC000669384457 538014939 /nfs/dbraw/zinc/01/49/39/538014939.db2.gz WJNJWPWYAOYFEP-HFCHRNICSA-N 0 0 224.300 2.287 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]1(C)Cc1cccs1 ZINC000669384374 538015819 /nfs/dbraw/zinc/01/58/19/538015819.db2.gz URSYDSLBXGWSQD-VXGBXAGGSA-N 0 0 240.324 2.401 10 0 BEAERN CCC(=O)[C@@H](CC(=O)C(C)(C)CC)C(=O)OC ZINC000725248381 538016473 /nfs/dbraw/zinc/01/64/73/538016473.db2.gz SRHPNYMIRQQWDS-SECBINFHSA-N 0 0 242.315 2.150 10 0 BEAERN CC[C@@H](C)C(=O)C[C@H](C(=O)OC)C(=O)C(C)C ZINC000725248501 538016778 /nfs/dbraw/zinc/01/67/78/538016778.db2.gz WKRKGBLPRGJBRU-ZJUUUORDSA-N 0 0 242.315 2.006 10 0 BEAERN CCO[C@@]1(C(N)=S)CCC[C@H](C)C1 ZINC000159159468 348981401 /nfs/dbraw/zinc/98/14/01/348981401.db2.gz MOXPIIIYKCIRMO-WPRPVWTQSA-N 0 0 201.335 2.258 10 0 BEAERN CC[C@@H](C)[C@H](C)n1c(C)c(N)ccc1=O ZINC000725249284 538019282 /nfs/dbraw/zinc/01/92/82/538019282.db2.gz ZRFUTHMRUNEKGM-BDAKNGLRSA-N 0 0 208.305 2.346 10 0 BEAERN Nc1cn(C2CCCCCC2)ccc1=O ZINC000725249168 538020156 /nfs/dbraw/zinc/02/01/56/538020156.db2.gz SIFLEBGHGDESEJ-UHFFFAOYSA-N 0 0 206.289 2.326 10 0 BEAERN Nc1cnn(CC[C@H]2CCCC2(F)F)c1 ZINC000725249842 538022355 /nfs/dbraw/zinc/02/23/55/538022355.db2.gz KSOPCWUNSPHPGA-MRVPVSSYSA-N 0 0 215.247 2.291 10 0 BEAERN Cc1cc(Cl)ccc1Cn1ccc(N)n1 ZINC000725249971 538022717 /nfs/dbraw/zinc/02/27/17/538022717.db2.gz OIPNKUBFLHZIRY-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Cc1conc1NC(=O)[C@H](C)c1cccnc1 ZINC000123877312 179759039 /nfs/dbraw/zinc/75/90/39/179759039.db2.gz SIAQBGYTMUXKNT-SECBINFHSA-N 0 0 231.255 2.120 10 0 BEAERN O[C@H](C1=CCCCO1)[C@H]1CCCCS1 ZINC000167857431 349075079 /nfs/dbraw/zinc/07/50/79/349075079.db2.gz DAFVANOBWOONKO-GHMZBOCLSA-N 0 0 214.330 2.327 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@H](C)C[C@H]2C ZINC000250671680 538024262 /nfs/dbraw/zinc/02/42/62/538024262.db2.gz MPCLRCRVHKZOBI-WYFGTUCQSA-N 0 0 212.289 2.143 10 0 BEAERN CC(=O)c1cccc(OC(F)(F)F)c1N ZINC000616576257 349100895 /nfs/dbraw/zinc/10/08/95/349100895.db2.gz PYSJPTYXOYKYCX-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN CCN(CC)c1ccc([C@@H](O)C[C@@H]2CO2)cc1 ZINC000616572958 349064123 /nfs/dbraw/zinc/06/41/23/349064123.db2.gz XVYRYVZKHUDUCH-KGLIPLIRSA-N 0 0 235.327 2.355 10 0 BEAERN CCOc1ccc(OC(F)(F)F)c(C[NH3+])c1 ZINC000616579892 349208897 /nfs/dbraw/zinc/20/88/97/349208897.db2.gz KCTRSLWTYDCTFD-UHFFFAOYSA-N 0 0 235.205 2.443 10 0 BEAERN CCc1ccc(C(N)=O)c(OC(F)(F)F)c1 ZINC000616580044 349239969 /nfs/dbraw/zinc/23/99/69/349239969.db2.gz VGWKNJKREYZBAC-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN CCOC(=O)[C@H](CC(C)C)C(=O)C1CC1 ZINC000308815513 538034053 /nfs/dbraw/zinc/03/40/53/538034053.db2.gz VCJGZKZMXGXRAA-SNVBAGLBSA-N 0 0 212.289 2.191 10 0 BEAERN C=COC(=O)CCCCCC(=O)OC=C ZINC000199766815 349290512 /nfs/dbraw/zinc/29/05/12/349290512.db2.gz BTZZNDXVEDBCQC-UHFFFAOYSA-N 0 0 212.245 2.310 10 0 BEAERN CCOC(=O)Cc1c(C)[nH]c2ccc(O)cc21 ZINC000199679161 349270032 /nfs/dbraw/zinc/27/00/32/349270032.db2.gz FWAJNJBLBMBKAB-UHFFFAOYSA-N 0 0 233.267 2.288 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1c1cocn1 ZINC000616584524 349343847 /nfs/dbraw/zinc/34/38/47/349343847.db2.gz HDXWUYLPMAHGKC-CYBMUJFWSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(-c2ccccn2)sc1CO ZINC000032010658 179869219 /nfs/dbraw/zinc/86/92/19/179869219.db2.gz WTANEQWNTKLUQJ-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN CCOC(=O)C(C)=NNc1ccc(OC)cc1 ZINC000136904335 349320067 /nfs/dbraw/zinc/32/00/67/349320067.db2.gz FILMOULYWLOUCM-UKTHLTGXSA-N 0 0 236.271 2.046 10 0 BEAERN Fc1ncc(Br)c2[nH]ccc21 ZINC000043220711 190995148 /nfs/dbraw/zinc/99/51/48/190995148.db2.gz MRDXVFYXKYNWAU-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Cc1nc(COc2ccc([C@H](C)O)cc2)no1 ZINC000035626258 179979580 /nfs/dbraw/zinc/97/95/80/179979580.db2.gz DVECSBGCGJITAT-QMMMGPOBSA-N 0 0 234.255 2.010 10 0 BEAERN Cc1nc(Cl)cc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000052836188 179990111 /nfs/dbraw/zinc/99/01/11/179990111.db2.gz QWZOZVDVBODUKR-APPZFPTMSA-N 0 0 241.722 2.418 10 0 BEAERN Cc1nc(N)c(Cl)c(C(F)(F)F)n1 ZINC000299888976 179998135 /nfs/dbraw/zinc/99/81/35/179998135.db2.gz BKOHDNAKDJTVBC-UHFFFAOYSA-N 0 0 211.574 2.039 10 0 BEAERN Cc1nc(N)sc1S[C@@H]1CCCC[C@H]1O ZINC000037691852 180001488 /nfs/dbraw/zinc/00/14/88/180001488.db2.gz NOUCJZOFHAXGLB-HTQZYQBOSA-N 0 0 244.385 2.429 10 0 BEAERN Cc1nc(NC(=O)C(C)(C)C)sc1N ZINC000074372659 180005592 /nfs/dbraw/zinc/00/55/92/180005592.db2.gz ZQYNYJGKLGPOJB-UHFFFAOYSA-N 0 0 213.306 2.018 10 0 BEAERN Cc1nc(NC(=O)N[C@H]2C[C@H]2C)sc1C ZINC000075958525 180011118 /nfs/dbraw/zinc/01/11/18/180011118.db2.gz KNFOEEUZZPMUET-XRGYYRRGSA-N 0 0 225.317 2.290 10 0 BEAERN Cc1nc([C@@H](N)c2cccc(Cl)c2)no1 ZINC000036762203 180039512 /nfs/dbraw/zinc/03/95/12/180039512.db2.gz UZQFOERGQUQMPV-VIFPVBQESA-N 0 0 223.663 2.080 10 0 BEAERN Cc1nc([C@@]2(N)CCSc3ccccc32)no1 ZINC000036762511 180048059 /nfs/dbraw/zinc/04/80/59/180048059.db2.gz NJCRSHFKLORJJJ-GFCCVEGCSA-N 0 0 247.323 2.076 10 0 BEAERN CC1(CNc2nc3ccccn3n2)CCC1 ZINC000219509121 350129498 /nfs/dbraw/zinc/12/94/98/350129498.db2.gz IOLNSURJIIAKOR-UHFFFAOYSA-N 0 0 216.288 2.331 10 0 BEAERN NC(=S)c1cccc2[nH]c(C(F)(F)F)nc21 ZINC000089195095 191020305 /nfs/dbraw/zinc/02/03/05/191020305.db2.gz JTAUVCZTAJBRKN-UHFFFAOYSA-N 0 0 245.229 2.216 10 0 BEAERN Cc1nc([C@H](C)Nc2ccc(=O)n(C)c2)cs1 ZINC000037785806 180052633 /nfs/dbraw/zinc/05/26/33/180052633.db2.gz LXQXWNQTCCEKEO-QMMMGPOBSA-N 0 0 249.339 2.323 10 0 BEAERN Cc1nc([C@H](N)c2ccccc2Cl)no1 ZINC000036762505 180054333 /nfs/dbraw/zinc/05/43/33/180054333.db2.gz IASYEQKQJYJFCR-SECBINFHSA-N 0 0 223.663 2.080 10 0 BEAERN Cc1nc([C@H]2CCOC2)c2c(Cl)nccn12 ZINC000033359182 180058004 /nfs/dbraw/zinc/05/80/04/180058004.db2.gz JQTDOTZXEILMJS-QMMMGPOBSA-N 0 0 237.690 2.195 10 0 BEAERN C[C@@H]1CCC(=O)N[C@@H](C(F)(F)F)CC1 ZINC000725255771 538052924 /nfs/dbraw/zinc/05/29/24/538052924.db2.gz AMPSDFQDDAAUSQ-NKWVEPMBSA-N 0 0 209.211 2.244 10 0 BEAERN COc1ccc(F)cc1[C@H](O)C(F)F ZINC000159437887 350146887 /nfs/dbraw/zinc/14/68/87/350146887.db2.gz YBNWVWFTPQATPE-QMMMGPOBSA-N 0 0 206.163 2.133 10 0 BEAERN CN(C)C(=O)CCSC1Cc2ccccc2C1 ZINC000219570951 350132226 /nfs/dbraw/zinc/13/22/26/350132226.db2.gz DPHOMPVENLJRSK-UHFFFAOYSA-N 0 0 249.379 2.365 10 0 BEAERN Cc1nc2cc(NCc3nccn3C)ccc2o1 ZINC000049900111 180083898 /nfs/dbraw/zinc/08/38/98/180083898.db2.gz HAXLGOPEQMWEEL-UHFFFAOYSA-N 0 0 242.282 2.482 10 0 BEAERN Cc1nc2cc3[nH]c(=S)[nH]c3cc2[nH]1 ZINC000026440400 180086570 /nfs/dbraw/zinc/08/65/70/180086570.db2.gz FXZKOVMDDRBTDB-UHFFFAOYSA-N 0 0 204.258 2.410 10 0 BEAERN CCCC[C@@H](c1ccccc1)S(N)(=O)=O ZINC000050350734 538056096 /nfs/dbraw/zinc/05/60/96/538056096.db2.gz VUMLNGRYFJXOMK-NSHDSACASA-N 0 0 227.329 2.206 10 0 BEAERN CC(C)c1ccc([C@H](C)S(N)(=O)=O)cc1 ZINC000050350236 538056799 /nfs/dbraw/zinc/05/67/99/538056799.db2.gz IPUDPMNYYWFYRK-VIFPVBQESA-N 0 0 227.329 2.160 10 0 BEAERN C[C@@H](C[C@@H]1CCCO1)NC(=O)NC(C)(C)C ZINC000132737720 191034940 /nfs/dbraw/zinc/03/49/40/191034940.db2.gz CAAXTDRMYFZXGP-UWVGGRQHSA-N 0 0 228.336 2.042 10 0 BEAERN COc1ccc(F)cc1[C@@H](O)C(F)F ZINC000159438036 350153681 /nfs/dbraw/zinc/15/36/81/350153681.db2.gz YBNWVWFTPQATPE-MRVPVSSYSA-N 0 0 206.163 2.133 10 0 BEAERN CCCCOCCNC(=O)NC1CCCCC1 ZINC000133332114 191040395 /nfs/dbraw/zinc/04/03/95/191040395.db2.gz BFDJZHKLJOSXAG-UHFFFAOYSA-N 0 0 242.363 2.435 10 0 BEAERN CN(CC(F)(F)F)c1ccnc(Cl)n1 ZINC000051849623 350161370 /nfs/dbraw/zinc/16/13/70/350161370.db2.gz FMYCMVPFSGQCFE-UHFFFAOYSA-N 0 0 225.601 2.129 10 0 BEAERN Cc1nc2cccc(Cl)n2c1[C@@H](C)O ZINC000074375198 180099612 /nfs/dbraw/zinc/09/96/12/180099612.db2.gz LBHVXOGZKZRPRI-SSDOTTSWSA-N 0 0 210.664 2.349 10 0 BEAERN CCOCCNC(=O)N[C@@H](C)c1cccs1 ZINC000043289392 323272927 /nfs/dbraw/zinc/27/29/27/323272927.db2.gz ZEQGSJRKPVWBKU-VIFPVBQESA-N 0 0 242.344 2.145 10 0 BEAERN O=C1CCN[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725256760 538059015 /nfs/dbraw/zinc/05/90/15/538059015.db2.gz PBZBZEDJXQJNOV-SNVBAGLBSA-N 0 0 229.201 2.309 10 0 BEAERN COC(=O)C=C(O)C(C(C)C)C(C)C ZINC000725256895 538059320 /nfs/dbraw/zinc/05/93/20/538059320.db2.gz AXVDQNXWHOLXEN-UHFFFAOYSA-N 0 0 200.278 2.047 10 0 BEAERN Cc1nc2ccccc2n1C[C@@H](C)C(N)=S ZINC000036678320 180104434 /nfs/dbraw/zinc/10/44/34/180104434.db2.gz BBMGEWUZMMNIDL-MRVPVSSYSA-N 0 0 233.340 2.267 10 0 BEAERN Cc1nc2ccccc2n1[C@@H](C)C(=O)NC1CC1 ZINC000095082494 180104540 /nfs/dbraw/zinc/10/45/40/180104540.db2.gz FILYTLWECGJBMY-VIFPVBQESA-N 0 0 243.310 2.184 10 0 BEAERN Cc1nc2ccccc2nc1N[C@@H]1CCC[C@@H]1O ZINC000277191292 180105242 /nfs/dbraw/zinc/10/52/42/180105242.db2.gz WQEUYTZQMYVNSZ-OLZOCXBDSA-N 0 0 243.310 2.264 10 0 BEAERN Cc1nc2ccccc2nc1NC[C@@H](O)C(C)C ZINC000125168618 180105575 /nfs/dbraw/zinc/10/55/75/180105575.db2.gz VUPXIEKTRDUJNB-CYBMUJFWSA-N 0 0 245.326 2.367 10 0 BEAERN Cn1cc(C=O)cc1C(=O)c1ccccc1 ZINC000034503465 350171919 /nfs/dbraw/zinc/17/19/19/350171919.db2.gz VJCOAGCSMLVKRO-UHFFFAOYSA-N 0 0 213.236 2.069 10 0 BEAERN CC(=O)N1C(=S)SC[C@@H]1C(C)(C)C ZINC000036373226 350173398 /nfs/dbraw/zinc/17/33/98/350173398.db2.gz HTTHQXIFRNUJHD-SSDOTTSWSA-N 0 0 217.359 2.281 10 0 BEAERN Cc1ncc(C(=O)N[C@@H]2C[C@@H]2C)c(C(C)C)n1 ZINC000172138469 180133856 /nfs/dbraw/zinc/13/38/56/180133856.db2.gz FMLRBMPTZBWVPT-GZMMTYOYSA-N 0 0 233.315 2.047 10 0 BEAERN CCOC(=O)CSCc1ccc(F)c(O)c1 ZINC000098203798 191061922 /nfs/dbraw/zinc/06/19/22/191061922.db2.gz XXBYWGIKKNKFLU-UHFFFAOYSA-N 0 0 244.287 2.328 10 0 BEAERN Cc1nc2nncn2c(Nc2ccccc2)c1C ZINC000006743041 180115657 /nfs/dbraw/zinc/11/56/57/180115657.db2.gz QDDMLBWFDPUUKO-UHFFFAOYSA-N 0 0 239.282 2.485 10 0 BEAERN Cc1nc2sc3c(n2c1C=O)CCCC3 ZINC000031974650 180117424 /nfs/dbraw/zinc/11/74/24/180117424.db2.gz SNPDIDRYWGBQOK-UHFFFAOYSA-N 0 0 220.297 2.396 10 0 BEAERN Cc1nc[nH]c1CNC(=O)C[C@@H](C)C(C)(C)C ZINC000331083106 180118843 /nfs/dbraw/zinc/11/88/43/180118843.db2.gz MUXHQIJFPUJXPM-SECBINFHSA-N 0 0 237.347 2.407 10 0 BEAERN Cc1ncc(-c2cccc(F)c2)c(N)n1 ZINC000026465826 180121899 /nfs/dbraw/zinc/12/18/99/180121899.db2.gz AGJOEXNMJYEJOE-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN CC(C)N(O)C(=O)OCc1ccccc1 ZINC000098181471 191061229 /nfs/dbraw/zinc/06/12/29/191061229.db2.gz MUFJZECCPUBLQN-UHFFFAOYSA-N 0 0 209.245 2.423 10 0 BEAERN Nc1c(Cl)c(F)c(F)cc1[N+](=O)[O-] ZINC000034283287 350169050 /nfs/dbraw/zinc/16/90/50/350169050.db2.gz WHQYKINILGECHL-UHFFFAOYSA-N 0 0 208.551 2.109 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000038094862 180163428 /nfs/dbraw/zinc/16/34/28/180163428.db2.gz QIAMPMGRUPECDB-TVQRCGJNSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000038094893 180163582 /nfs/dbraw/zinc/16/35/82/180163582.db2.gz VRHCMGJVYGSIQV-UWVGGRQHSA-N 0 0 247.342 2.375 10 0 BEAERN CN(C(=O)C1(C)CCCCC1)[C@H]1CCOC1 ZINC000121686987 191072471 /nfs/dbraw/zinc/07/24/71/191072471.db2.gz JDQRBMXJDIVPIH-NSHDSACASA-N 0 0 225.332 2.204 10 0 BEAERN Cc1nccc(CN[C@H](C)c2ccncc2)n1 ZINC000038037375 180191367 /nfs/dbraw/zinc/19/13/67/180191367.db2.gz PQLSRJFAIFFFGL-SNVBAGLBSA-N 0 0 228.299 2.031 10 0 BEAERN Cc1nccc(CN[C@H](C)c2ccco2)n1 ZINC000038037407 180191746 /nfs/dbraw/zinc/19/17/46/180191746.db2.gz BTIKSRAAVJXPJZ-SECBINFHSA-N 0 0 217.272 2.229 10 0 BEAERN Cc1nccc(NCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000282031818 180197479 /nfs/dbraw/zinc/19/74/79/180197479.db2.gz ZIBDVGFEQWWRKC-UWVGGRQHSA-N 0 0 235.331 2.401 10 0 BEAERN O=C(Cl)C1CC2(C1)CC(C(=O)Cl)C2 ZINC000221350550 350207858 /nfs/dbraw/zinc/20/78/58/350207858.db2.gz DKOZSQUGSDMGHI-UHFFFAOYSA-N 0 0 221.083 2.324 10 0 BEAERN NC(=O)N/N=C/c1cc(Cl)sc1Cl ZINC000071250887 350232080 /nfs/dbraw/zinc/23/20/80/350232080.db2.gz TWDTUWNSMQPQKF-WTDSWWLTSA-N 0 0 238.099 2.057 10 0 BEAERN Cc1nccn1-c1cc(N)ccc1Cl ZINC000082377475 180229176 /nfs/dbraw/zinc/22/91/76/180229176.db2.gz ROBRTQXQILNYLK-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1ccc(CNC2(C#N)CCCC2)cn1 ZINC000222281897 350234526 /nfs/dbraw/zinc/23/45/26/350234526.db2.gz UOHFRTJHZOHXBI-UHFFFAOYSA-N 0 0 215.300 2.316 10 0 BEAERN NN=c1nc(Cl)cc(NCc2ccccc2)[nH]1 ZINC000222930783 350256495 /nfs/dbraw/zinc/25/64/95/350256495.db2.gz DNNYPDZRFBEZIF-UHFFFAOYSA-N 0 0 249.705 2.028 10 0 BEAERN CC(C)COc1ccc([C@@H](C)NC(N)=O)cc1 ZINC000127759261 191086739 /nfs/dbraw/zinc/08/67/39/191086739.db2.gz USNQWMGEESIOPK-SNVBAGLBSA-N 0 0 236.315 2.451 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCCc1ccccc1F ZINC000075982469 350248368 /nfs/dbraw/zinc/24/83/68/350248368.db2.gz HZHXOEPQLYWADD-JOYOIKCWSA-N 0 0 236.290 2.076 10 0 BEAERN CC(C)([C@H]1CCCC(C)(C)C1)S(N)(=O)=O ZINC000725261427 538086558 /nfs/dbraw/zinc/08/65/58/538086558.db2.gz MIBQKHAPMGEHLM-VIFPVBQESA-N 0 0 233.377 2.270 10 0 BEAERN Cc1nccn1CCNc1cccc(F)c1 ZINC000049329873 180263587 /nfs/dbraw/zinc/26/35/87/180263587.db2.gz QGXVBYLMLYPSHE-UHFFFAOYSA-N 0 0 219.263 2.443 10 0 BEAERN C(C[C@@H]1CCCO1)Nc1nc(C2CC2)ns1 ZINC000083653918 350271480 /nfs/dbraw/zinc/27/14/80/350271480.db2.gz UBJBWTKERSVLMH-VIFPVBQESA-N 0 0 239.344 2.397 10 0 BEAERN C[C@H](Nc1nc(C2CC2)ns1)[C@H]1CCCO1 ZINC000083653104 350271711 /nfs/dbraw/zinc/27/17/11/350271711.db2.gz PJJTWRYRIHYLDZ-IONNQARKSA-N 0 0 239.344 2.395 10 0 BEAERN Cc1nccn1Cc1ccc(Cl)cc1N ZINC000050443296 180268184 /nfs/dbraw/zinc/26/81/84/180268184.db2.gz ZVEPDXSKSCODMA-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Cc1nccn1[C@H](C)c1cccc(N)c1 ZINC000040908283 180271627 /nfs/dbraw/zinc/27/16/27/180271627.db2.gz PQRMKSSJXZMAEM-SECBINFHSA-N 0 0 201.273 2.383 10 0 BEAERN CC(C)(C)OC(=O)N1CCCc2[nH]cnc2C1 ZINC000725262050 538087832 /nfs/dbraw/zinc/08/78/32/538087832.db2.gz TVBDVMHNAVBIOB-UHFFFAOYSA-N 0 0 237.303 2.093 10 0 BEAERN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000037979123 350297296 /nfs/dbraw/zinc/29/72/96/350297296.db2.gz JAZCIKYLRSBXIR-KOLCDFICSA-N 0 0 238.331 2.153 10 0 BEAERN Cc1ncn([C@@H]2Cc3ccccc3[C@H]2O)c1C ZINC000051927895 180289765 /nfs/dbraw/zinc/28/97/65/180289765.db2.gz YXPXYDNEAZVGAM-ZIAGYGMSSA-N 0 0 228.295 2.331 10 0 BEAERN CC(=O)c1ccccc1-c1cnn(C)c1 ZINC000038071849 350301898 /nfs/dbraw/zinc/30/18/98/350301898.db2.gz SCEMYFIGYOSLED-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN CC[C@H]1CCN1Cc1nnsc1Cl ZINC000307560166 323321565 /nfs/dbraw/zinc/32/15/65/323321565.db2.gz HDALXXZASPLDBC-LURJTMIESA-N 0 0 217.725 2.176 10 0 BEAERN Cc1ncnc(Nc2ccccc2)c1O ZINC000075601896 180290978 /nfs/dbraw/zinc/29/09/78/180290978.db2.gz AOFVPPAZQIPHAK-UHFFFAOYSA-N 0 0 201.229 2.234 10 0 BEAERN Cc1nccnc1NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000290949736 180278006 /nfs/dbraw/zinc/27/80/06/180278006.db2.gz MQKXVPBTKSCUPN-PEGIJTEDSA-N 0 0 235.331 2.401 10 0 BEAERN COC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921523 350291107 /nfs/dbraw/zinc/29/11/07/350291107.db2.gz DHVLQTGTMKHUEH-NEPJUHHUSA-N 0 0 220.268 2.327 10 0 BEAERN O=C1CCOc2c(Cl)cc(F)cc21 ZINC000037901952 350291167 /nfs/dbraw/zinc/29/11/67/350291167.db2.gz YKWLPVUEPVAMJD-UHFFFAOYSA-N 0 0 200.596 2.444 10 0 BEAERN Clc1nc(-c2ccc3c(c2)CCO3)no1 ZINC000037926928 350291598 /nfs/dbraw/zinc/29/15/98/350291598.db2.gz HQMHIXHRCBKQNS-UHFFFAOYSA-N 0 0 222.631 2.325 10 0 BEAERN CCOC(=N)c1ccc(Br)o1 ZINC000037928125 350292075 /nfs/dbraw/zinc/29/20/75/350292075.db2.gz KDYCTQCMKURBQF-UHFFFAOYSA-N 0 0 218.050 2.404 10 0 BEAERN CC(C)(Nc1ccccc1Cl)C(N)=O ZINC000037942284 350292828 /nfs/dbraw/zinc/29/28/28/350292828.db2.gz IYLKKRONZBILKM-UHFFFAOYSA-N 0 0 212.680 2.016 10 0 BEAERN CCCC[C@]1(CO)COc2ccccc2O1 ZINC000225005888 350347635 /nfs/dbraw/zinc/34/76/35/350347635.db2.gz WTYCDGKKFQOHSA-ZDUSSCGKSA-N 0 0 222.284 2.379 10 0 BEAERN O=C(c1ccc2[nH]cnc2c1)N1C[C@H]2CCC[C@H]21 ZINC000606535730 350358136 /nfs/dbraw/zinc/35/81/36/350358136.db2.gz XPZZLYJSFYFFST-ZWNOBZJWSA-N 0 0 241.294 2.187 10 0 BEAERN COC(=O)c1[nH]c(C)nc1-c1ccc(F)cc1 ZINC000040435069 350363241 /nfs/dbraw/zinc/36/32/41/350363241.db2.gz RBXSJUXOXCHVHV-UHFFFAOYSA-N 0 0 234.230 2.311 10 0 BEAERN Cc1ncsc1CCN1[C@H](C)COC[C@@H]1C ZINC000172668943 180310033 /nfs/dbraw/zinc/31/00/33/180310033.db2.gz SGMMAMQGWCSAGP-AOOOYVTPSA-N 0 0 240.372 2.103 10 0 BEAERN Cc1ncsc1[C@@H](C)Nc1ccc(=O)n(C)c1 ZINC000037785734 180326195 /nfs/dbraw/zinc/32/61/95/180326195.db2.gz YPQYKIPQJZYKQK-SECBINFHSA-N 0 0 249.339 2.323 10 0 BEAERN Cc1nn(C)c(C)c1CCCNCC(F)(F)F ZINC000062808298 180336399 /nfs/dbraw/zinc/33/63/99/180336399.db2.gz XWFZAFRUDJCSKK-UHFFFAOYSA-N 0 0 249.280 2.121 10 0 BEAERN Cc1nn(-c2ccc(Cl)cc2)c2[nH]nc(N)c12 ZINC000021949905 180329602 /nfs/dbraw/zinc/32/96/02/180329602.db2.gz GVCMXRNRQNMNLM-UHFFFAOYSA-N 0 0 247.689 2.293 10 0 BEAERN Cc1nn(-c2ccccc2)c(Cl)c1N ZINC000000410906 180331332 /nfs/dbraw/zinc/33/13/32/180331332.db2.gz XAALQGTXLCFBDF-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CCc1cc(NCC[C@H]2CCCO2)ncn1 ZINC000040765223 350395612 /nfs/dbraw/zinc/39/56/12/350395612.db2.gz HECILJQVLPUGLQ-LLVKDONJSA-N 0 0 221.304 2.020 10 0 BEAERN CC[C@H](C)C(=O)Nc1nccnc1Cl ZINC000226021205 350396460 /nfs/dbraw/zinc/39/64/60/350396460.db2.gz WOXFBHCKWGWKBI-LURJTMIESA-N 0 0 213.668 2.115 10 0 BEAERN Cc1nn(C)c(C)c1NC[C@@H]1CCC=CO1 ZINC000050267618 180343797 /nfs/dbraw/zinc/34/37/97/180343797.db2.gz GIZKSACHDJGCGC-NSHDSACASA-N 0 0 221.304 2.142 10 0 BEAERN Cc1nn(C)c(C)c1NCc1ccco1 ZINC000020134717 180344217 /nfs/dbraw/zinc/34/42/17/180344217.db2.gz SSLYHBXEUGYVED-UHFFFAOYSA-N 0 0 205.261 2.242 10 0 BEAERN Cc1nn(C)c(C)c1N[C@@H]1CCCSC1 ZINC000061571889 180344833 /nfs/dbraw/zinc/34/48/33/180344833.db2.gz IWPNKEBOZGISBX-SNVBAGLBSA-N 0 0 225.361 2.344 10 0 BEAERN Cc1nn(C)c(C)c1[C@H](O)c1ccccc1 ZINC000075870364 180348537 /nfs/dbraw/zinc/34/85/37/180348537.db2.gz UBJDLPVJHRZTBY-CYBMUJFWSA-N 0 0 216.284 2.119 10 0 BEAERN Cc1nn(C)c(N(C)CC2CCCC2)c1C=O ZINC000104366297 180351971 /nfs/dbraw/zinc/35/19/71/180351971.db2.gz ZRXWQXUEHBQSTM-UHFFFAOYSA-N 0 0 235.331 2.167 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccsc2)c1C=O ZINC000035719415 180353070 /nfs/dbraw/zinc/35/30/70/180353070.db2.gz HNWGHYXEGGRBNV-UHFFFAOYSA-N 0 0 249.339 2.239 10 0 BEAERN Cc1nn(C)c(N(CC(C)C)CC(C)C)c1N ZINC000036197633 180353452 /nfs/dbraw/zinc/35/34/52/180353452.db2.gz UOXJFQJXAKMZOL-UHFFFAOYSA-N 0 0 238.379 2.429 10 0 BEAERN Cc1nn(C)c(N(C)c2ccccc2)c1N ZINC000036748910 180353581 /nfs/dbraw/zinc/35/35/81/180353581.db2.gz SQMWBYZXKUGPIE-UHFFFAOYSA-N 0 0 216.288 2.079 10 0 BEAERN Cc1nn(C)c(N(C)Cc2cccs2)c1N ZINC000036749410 180353925 /nfs/dbraw/zinc/35/39/25/180353925.db2.gz SJCDFUQCPHBCDV-UHFFFAOYSA-N 0 0 236.344 2.009 10 0 BEAERN Cc1nn(C)c(N2C[C@@H](C)C[C@H](C)C2)c1C=O ZINC000034957024 180357449 /nfs/dbraw/zinc/35/74/49/180357449.db2.gz YGDRUXYEOWARRL-UWVGGRQHSA-N 0 0 235.331 2.023 10 0 BEAERN Cc1nn(C)c(NCCc2cccs2)c1N ZINC000036749081 180358209 /nfs/dbraw/zinc/35/82/09/180358209.db2.gz JCRQAJLMWUWFFL-UHFFFAOYSA-N 0 0 236.344 2.027 10 0 BEAERN Cc1nn(C)c(NCC2CCCCC2)c1N ZINC000036749334 180358678 /nfs/dbraw/zinc/35/86/78/180358678.db2.gz NNSMNLJCPZHGTA-UHFFFAOYSA-N 0 0 222.336 2.303 10 0 BEAERN Cc1nn(C)c(NC2(C)CCCCC2)c1N ZINC000045042303 180358997 /nfs/dbraw/zinc/35/89/97/180358997.db2.gz NWKBBJGZVNNMKF-UHFFFAOYSA-N 0 0 222.336 2.445 10 0 BEAERN Cc1nn(C)c(Nc2cccc(F)c2)c1N ZINC000036749183 180359818 /nfs/dbraw/zinc/35/98/18/180359818.db2.gz LHAACZLHAINDPB-UHFFFAOYSA-N 0 0 220.251 2.193 10 0 BEAERN Nc1nc(-n2cccn2)c(Cl)cc1Cl ZINC000226623128 350443554 /nfs/dbraw/zinc/44/35/54/350443554.db2.gz BCGDZFTUHORJHX-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN CN1C[C@H](c2cccnc2N)Cc2ccccc21 ZINC000616592205 350444313 /nfs/dbraw/zinc/44/43/13/350444313.db2.gz JCJNAFQLLIZZEA-GFCCVEGCSA-N 0 0 239.322 2.440 10 0 BEAERN Cc1nn(C)c(SCc2ccco2)c1N ZINC000036749653 180361580 /nfs/dbraw/zinc/36/15/80/180361580.db2.gz HUNKHNKWNLFIHF-UHFFFAOYSA-N 0 0 223.301 2.196 10 0 BEAERN S=C1N=NC(c2ccnnc2)N1C1CCCC1 ZINC000725265510 538093354 /nfs/dbraw/zinc/09/33/54/538093354.db2.gz BFRNUHKHHVKNAZ-UHFFFAOYSA-N 0 0 247.327 2.139 10 0 BEAERN CCOc1cc(N)c(Cl)cc1C(=O)OC ZINC000034402796 350468125 /nfs/dbraw/zinc/46/81/25/350468125.db2.gz NMGBXFJAUQDKNO-UHFFFAOYSA-N 0 0 229.663 2.108 10 0 BEAERN Cc1nn(C)cc1N[C@H]1CCCC12CCOCC2 ZINC000306063767 180377503 /nfs/dbraw/zinc/37/75/03/180377503.db2.gz XTXJNFDNSBPTAO-ZDUSSCGKSA-N 0 0 249.358 2.490 10 0 BEAERN F[C@@H]1CN[C@H](c2nc(-c3cccs3)no2)C1 ZINC000409422570 350475124 /nfs/dbraw/zinc/47/51/24/350475124.db2.gz GGEZZBAUZDCUFB-BQBZGAKWSA-N 0 0 239.275 2.171 10 0 BEAERN O=Cc1ccc(-c2cncc3c[nH]nc32)cc1 ZINC000725266164 538093836 /nfs/dbraw/zinc/09/38/36/538093836.db2.gz RPXDDZURXWWKMX-UHFFFAOYSA-N 0 0 223.235 2.437 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@H]2C ZINC000252578968 538094510 /nfs/dbraw/zinc/09/45/10/538094510.db2.gz MOZKRANAIOFGIR-USWWRNFRSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nn([C@@H]2CCSC2)c(N)c1Cl ZINC000043667347 180392492 /nfs/dbraw/zinc/39/24/92/180392492.db2.gz VHRVKTHIMGVLLL-ZCFIWIBFSA-N 0 0 217.725 2.105 10 0 BEAERN Cc1nnc(-c2cccc(N)c2C)s1 ZINC000082532352 180395779 /nfs/dbraw/zinc/39/57/79/180395779.db2.gz KDSXIUDCLVZWIW-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1nn2c(C=O)c(C(C)(C)C)nc2s1 ZINC000031974208 180394755 /nfs/dbraw/zinc/39/47/55/180394755.db2.gz KRISQTAOMXEIME-UHFFFAOYSA-N 0 0 223.301 2.209 10 0 BEAERN Cc1[nH]n(CC(C)C)c2nc([C@@H]3CCOC3)nc1-2 ZINC000020135158 180386861 /nfs/dbraw/zinc/38/68/61/180386861.db2.gz MKUXTEIKNDJZEZ-SNVBAGLBSA-N 0 0 248.330 2.228 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(O)cc1O ZINC000227616686 350504197 /nfs/dbraw/zinc/50/41/97/350504197.db2.gz WXCZMVVQMIBRCA-KWQFWETISA-N 0 0 235.283 2.016 10 0 BEAERN CC(=O)c1nc([C@@H]2SCCS[C@@H]2C)no1 ZINC000228187975 350531607 /nfs/dbraw/zinc/53/16/07/350531607.db2.gz MSUJHSONMAOHSK-RNFRBKRXSA-N 0 0 244.341 2.182 10 0 BEAERN C[C@@H]1SCCS[C@H]1c1nc(Cl)n[nH]1 ZINC000228193506 350532811 /nfs/dbraw/zinc/53/28/11/350532811.db2.gz MZNUSAXVEXWBIA-CRCLSJGQSA-N 0 0 235.765 2.368 10 0 BEAERN Cn1cnnc1Cc1ccccc1Cl ZINC000228238874 350534606 /nfs/dbraw/zinc/53/46/06/350534606.db2.gz WMESDGYBWWNLTA-UHFFFAOYSA-N 0 0 207.664 2.059 10 0 BEAERN CC(C)c1ncc(C(=O)N[C@H]2C[C@@H]2C)s1 ZINC000134121023 191107623 /nfs/dbraw/zinc/10/76/23/191107623.db2.gz XFMMKHDINHQEQS-YUMQZZPRSA-N 0 0 224.329 2.405 10 0 BEAERN COCC(=O)c1cccc(F)c1Br ZINC000229180800 350568846 /nfs/dbraw/zinc/56/88/46/350568846.db2.gz UWAJCZXORRPOJK-UHFFFAOYSA-N 0 0 247.063 2.417 10 0 BEAERN Cc1ccc(C(=O)[C@@H](C)SCCO)cc1 ZINC000037352822 362966536 /nfs/dbraw/zinc/96/65/36/362966536.db2.gz OQMSTKUGQTXIED-SNVBAGLBSA-N 0 0 224.325 2.292 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1-c1ccco1 ZINC000725266549 538095492 /nfs/dbraw/zinc/09/54/92/538095492.db2.gz MXIGKLXIQSEFMA-UHFFFAOYSA-N 0 0 235.243 2.020 10 0 BEAERN C[C@H](SCCO)C(=O)c1ccc(F)cc1 ZINC000037352894 362967430 /nfs/dbraw/zinc/96/74/30/362967430.db2.gz YZBGCYHMSPCUMT-QMMMGPOBSA-N 0 0 228.288 2.122 10 0 BEAERN Cc1nnc(NC[C@H]2CCO[C@@H]2C(C)C)s1 ZINC000309347679 180434223 /nfs/dbraw/zinc/43/42/23/180434223.db2.gz MBDZBHQFVKNRAY-NXEZZACHSA-N 0 0 241.360 2.320 10 0 BEAERN CNc1ccc([C@@H]2CCN(C(C)=O)CCO2)cc1 ZINC000616594069 350591406 /nfs/dbraw/zinc/59/14/06/350591406.db2.gz NUDMWBMYLYASPI-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CCC(=O)Nc1cc(Cl)nc(Cl)n1 ZINC000230372750 350601895 /nfs/dbraw/zinc/60/18/95/350601895.db2.gz ZRBZUHLANWSOSL-UHFFFAOYSA-N 0 0 220.059 2.132 10 0 BEAERN CCN1c2ccccc2CC[C@H]1c1cc(N)n[nH]1 ZINC000616595784 350611548 /nfs/dbraw/zinc/61/15/48/350611548.db2.gz XKHBIPKNQSHFSZ-ZDUSSCGKSA-N 0 0 242.326 2.336 10 0 BEAERN CCC[C@H](CCCN[C@@H](CC)C(=O)OC)OC ZINC000725267007 538096853 /nfs/dbraw/zinc/09/68/53/538096853.db2.gz QBAACVBIZRRPMD-NEPJUHHUSA-N 0 0 245.363 2.123 10 0 BEAERN CCc1nc2cncc(Br)c2[nH]1 ZINC000213650410 538096862 /nfs/dbraw/zinc/09/68/62/538096862.db2.gz JVGDEXXUKBPODR-UHFFFAOYSA-N 0 0 226.077 2.283 10 0 BEAERN CC1(C)CCC(C(=O)C(F)(F)F)=C1O ZINC000125055541 538097684 /nfs/dbraw/zinc/09/76/84/538097684.db2.gz SODSHKKWTDYZSA-RXMQYKEDSA-N 0 0 208.179 2.123 10 0 BEAERN CC(C)(C)N1CCOCC[C@H]1c1ccon1 ZINC000616597007 350635631 /nfs/dbraw/zinc/63/56/31/350635631.db2.gz DIDQBBCAJZLZCB-NSHDSACASA-N 0 0 224.304 2.237 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1C(F)(F)F ZINC000616597737 350653232 /nfs/dbraw/zinc/65/32/32/350653232.db2.gz RIIQCBMYOVEONH-QMMMGPOBSA-N 0 0 225.254 2.438 10 0 BEAERN CC(C)=CC(=O)Nc1cc(Cl)ncn1 ZINC000232558950 350660989 /nfs/dbraw/zinc/66/09/89/350660989.db2.gz ZHGQOBZMXJGNDD-UHFFFAOYSA-N 0 0 211.652 2.035 10 0 BEAERN Cc1noc(CNCc2ccccc2Cl)n1 ZINC000037980772 180488968 /nfs/dbraw/zinc/48/89/68/180488968.db2.gz ABNRQGRMXFNMKT-UHFFFAOYSA-N 0 0 237.690 2.321 10 0 BEAERN Cc1noc(CN[C@H](C)c2cccc(F)c2)n1 ZINC000037980747 180489898 /nfs/dbraw/zinc/48/98/98/180489898.db2.gz JCNJTHVYRFDJEE-MRVPVSSYSA-N 0 0 235.262 2.368 10 0 BEAERN CCc1nc(C)[nH]c(=S)c1Br ZINC000234120487 350691177 /nfs/dbraw/zinc/69/11/77/350691177.db2.gz QBDUJNAHOOBFOX-UHFFFAOYSA-N 0 0 233.134 2.399 10 0 BEAERN C[C@H]1C[C@@]1(O)c1ccoc1Br ZINC000235619096 350720623 /nfs/dbraw/zinc/72/06/23/350720623.db2.gz JETPMBSHAFZYHI-XNCJUZBTSA-N 0 0 217.062 2.270 10 0 BEAERN CCCCCCC(=O)NCCn1cc(C)cn1 ZINC000117817661 168644786 /nfs/dbraw/zinc/64/47/86/168644786.db2.gz DQAPKEHSVCWTQM-UHFFFAOYSA-N 0 0 237.347 2.278 10 0 BEAERN CCc1ccc2c(c1)C[C@@H](O)[C@@H](C(C)(C)OC)N2 ZINC000725267833 538099242 /nfs/dbraw/zinc/09/92/42/538099242.db2.gz AGHYLRHKJNBUSV-KGLIPLIRSA-N 0 0 249.354 2.372 10 0 BEAERN Cc1cc(N[C@@H]2CCCOCC2)nnc1C ZINC000302818386 191121309 /nfs/dbraw/zinc/12/13/09/191121309.db2.gz NBLBVPPQANGSOG-LLVKDONJSA-N 0 0 221.304 2.074 10 0 BEAERN Cc1cc(Cl)nc(-c2ccnc(C)n2)n1 ZINC000159498682 350776777 /nfs/dbraw/zinc/77/67/77/350776777.db2.gz SQEAKGWRTYDJGH-UHFFFAOYSA-N 0 0 220.663 2.204 10 0 BEAERN CC(=O)N1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616601657 350782263 /nfs/dbraw/zinc/78/22/63/350782263.db2.gz SFZXLOKHNWYUAV-AWEZNQCLSA-N 0 0 247.338 2.295 10 0 BEAERN CC(=O)N1CCCC[C@H](c2cccc(CO)c2)C1 ZINC000616601575 350782622 /nfs/dbraw/zinc/78/26/22/350782622.db2.gz IMRXVTQVAKCSDI-HNNXBMFYSA-N 0 0 247.338 2.295 10 0 BEAERN CC[C@H](O)Cc1ncccc1Br ZINC000063039066 350787429 /nfs/dbraw/zinc/78/74/29/350787429.db2.gz QWFXFUMJKGETBA-ZETCQYMHSA-N 0 0 230.105 2.158 10 0 BEAERN CCN1CCOC[C@H]1c1ccccc1NC(C)=O ZINC000616602912 350788295 /nfs/dbraw/zinc/78/82/95/350788295.db2.gz WHOBZOKLKLUZRL-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CN1CCOC[C@@H]1c1ccnc2ccccc21 ZINC000616603687 350789958 /nfs/dbraw/zinc/78/99/58/350789958.db2.gz ZPNISAYHEQPJRO-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN O=C([O-])c1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000616605866 350795821 /nfs/dbraw/zinc/79/58/21/350795821.db2.gz XSFJZWSVYQWETH-LBPRGKRZSA-N 0 0 219.284 2.242 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]1c1conn1 ZINC000616608161 350796638 /nfs/dbraw/zinc/79/66/38/350796638.db2.gz ZBRSMPXXNGOGFJ-SECBINFHSA-N 0 0 239.275 2.142 10 0 BEAERN CCOC(=O)N1CCC[C@@H]1C(F)(F)F ZINC000616606300 350797425 /nfs/dbraw/zinc/79/74/25/350797425.db2.gz AQHBNOGJWWNDHP-ZCFIWIBFSA-N 0 0 211.183 2.170 10 0 BEAERN CCOC(=O)N1CCC[C@@H]1OC(F)(F)F ZINC000616606844 350798886 /nfs/dbraw/zinc/79/88/86/350798886.db2.gz JDXIFRAVFILQRU-LURJTMIESA-N 0 0 227.182 2.101 10 0 BEAERN COC(=O)N1CCC[C@H]1c1cccc(CCO)c1 ZINC000616606961 350799225 /nfs/dbraw/zinc/79/92/25/350799225.db2.gz NOBBQHHYLVTZIZ-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN COC(=O)N1CCC[C@H]1c1ccccc1CO ZINC000616607360 350801055 /nfs/dbraw/zinc/80/10/55/350801055.db2.gz OOEMDHSYYZTAOQ-LBPRGKRZSA-N 0 0 235.283 2.082 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](n2ccnc2)C1 ZINC000616609680 350803331 /nfs/dbraw/zinc/80/33/31/350803331.db2.gz DSCRZPPVAXNEDR-JTQLQIEISA-N 0 0 237.303 2.065 10 0 BEAERN CNc1ccc([C@@H]2CCCN2C(C)=O)cc1 ZINC000616610619 350806441 /nfs/dbraw/zinc/80/64/41/350806441.db2.gz WBEGOSKZBNILFG-ZDUSSCGKSA-N 0 0 218.300 2.412 10 0 BEAERN CNc1ccccc1[C@H]1CCN(C(=O)OC)C1 ZINC000616610679 350806443 /nfs/dbraw/zinc/80/64/43/350806443.db2.gz SOHBMIURWZTJMY-JTQLQIEISA-N 0 0 234.299 2.284 10 0 BEAERN CC(=O)N1CCC[C@H]1c1cccc2nnccc21 ZINC000616609877 350807598 /nfs/dbraw/zinc/80/75/98/350807598.db2.gz ISFVYTXCUYMUBB-AWEZNQCLSA-N 0 0 241.294 2.313 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccnc2ccccc21 ZINC000616610021 350807640 /nfs/dbraw/zinc/80/76/40/350807640.db2.gz KJSGGKVJAZPSPZ-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN CNc1ccccc1[C@H]1CCN(C(C)=O)C1 ZINC000616611452 350809293 /nfs/dbraw/zinc/80/92/93/350809293.db2.gz DSIQGGQFODTQQX-NSHDSACASA-N 0 0 218.300 2.064 10 0 BEAERN C[C@@H]1CCO[C@H]1C(=O)c1ccccc1F ZINC000167934025 350811539 /nfs/dbraw/zinc/81/15/39/350811539.db2.gz KLTATDJEPUHIGU-PRHODGIISA-N 0 0 208.232 2.433 10 0 BEAERN CS[C@H]1CC[C@H]1Nc1nc(C)ns1 ZINC000306676713 350829120 /nfs/dbraw/zinc/82/91/20/350829120.db2.gz WWTUNJGLAVENJV-RQJHMYQMSA-N 0 0 215.347 2.152 10 0 BEAERN O[C@@H](Cc1cscn1)c1ccccc1 ZINC000051966516 350830214 /nfs/dbraw/zinc/83/02/14/350830214.db2.gz GMVBATXJRNZBOD-NSHDSACASA-N 0 0 205.282 2.419 10 0 BEAERN CCC1(Cn2ccnc(Cl)c2=O)CCC1 ZINC000306677532 350831019 /nfs/dbraw/zinc/83/10/19/350831019.db2.gz ZBHNFVICCZTRKX-UHFFFAOYSA-N 0 0 226.707 2.477 10 0 BEAERN C[C@@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)(C)C ZINC000246013911 350831093 /nfs/dbraw/zinc/83/10/93/350831093.db2.gz UDPWVMBUSDNEGL-HBNTYKKESA-N 0 0 242.363 2.240 10 0 BEAERN S=C1N=NC(NC[C@@H]2CCCSC2)S1 ZINC000306679221 350834208 /nfs/dbraw/zinc/83/42/08/350834208.db2.gz IAJHCOIGPTUIKY-LURJTMIESA-N 0 0 247.414 2.382 10 0 BEAERN COc1ccc2c(c1)N[C@H](C1CCC1)[C@H](O)C2 ZINC000725268020 538099607 /nfs/dbraw/zinc/09/96/07/538099607.db2.gz FPJJUJCQGCKBBJ-ZIAGYGMSSA-N 0 0 233.311 2.193 10 0 BEAERN O[C@H](c1ccsn1)c1ccncc1Cl ZINC000306682468 350838882 /nfs/dbraw/zinc/83/88/82/350838882.db2.gz RJSWSGDODJDUTK-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN COc1ccc([C@H](N)C(C)(F)F)cc1 ZINC000306682954 350839532 /nfs/dbraw/zinc/83/95/32/350839532.db2.gz UAPIGXGGZBDKMP-VIFPVBQESA-N 0 0 201.216 2.350 10 0 BEAERN Cc1nsc(N[C@@H]2COc3ccccc32)n1 ZINC000083648742 180523479 /nfs/dbraw/zinc/52/34/79/180523479.db2.gz CXWBYKCVKBTORO-SECBINFHSA-N 0 0 233.296 2.392 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cocn1 ZINC000616615436 350846859 /nfs/dbraw/zinc/84/68/59/350846859.db2.gz KLYQJAZWAPBRJG-JTQLQIEISA-N 0 0 224.260 2.358 10 0 BEAERN C[C@]1(CNN2CCCCC2)CCCS1 ZINC000306698440 350847707 /nfs/dbraw/zinc/84/77/07/350847707.db2.gz CPOWFKPREBTVSP-LLVKDONJSA-N 0 0 214.378 2.263 10 0 BEAERN OCc1ncoc1[C@H]1CCCC1(F)F ZINC000306697890 350848297 /nfs/dbraw/zinc/84/82/97/350848297.db2.gz CCFBKBSGKFNSFY-ZCFIWIBFSA-N 0 0 203.188 2.070 10 0 BEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](C)[C@H](C)C1 ZINC000251917056 362985138 /nfs/dbraw/zinc/98/51/38/362985138.db2.gz UKIJQOZQXKEBKV-HOSYDEDBSA-N 0 0 213.321 2.264 10 0 BEAERN COc1nc([C@H]2CCC[C@@H](O)C2)cs1 ZINC000306702944 350852837 /nfs/dbraw/zinc/85/28/37/350852837.db2.gz IHICHANVOCYYJL-JGVFFNPUSA-N 0 0 213.302 2.170 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616616532 350855739 /nfs/dbraw/zinc/85/57/39/350855739.db2.gz XXXBRIVSDUVNOT-HNNXBMFYSA-N 0 0 247.338 2.295 10 0 BEAERN Cc1nsc2cnc(Br)nc12 ZINC000082348177 180524999 /nfs/dbraw/zinc/52/49/99/180524999.db2.gz JOFAUHPAAKZEAA-UHFFFAOYSA-N 0 0 230.090 2.157 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ncco2)C1 ZINC000616617076 350861236 /nfs/dbraw/zinc/86/12/36/350861236.db2.gz FKWRQYOAEPEGDQ-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CCOC(=O)N1CCC[C@H](OC(F)(F)F)C1 ZINC000616617249 350864364 /nfs/dbraw/zinc/86/43/64/350864364.db2.gz KTFLCWWWVOCECO-ZETCQYMHSA-N 0 0 241.209 2.144 10 0 BEAERN Cc1ccnc(C(=O)c2cscn2)c1 ZINC000306675158 350826230 /nfs/dbraw/zinc/82/62/30/350826230.db2.gz RZDPVTJOZSHCJH-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN Cc1cn(C[C@H]2CCSC2)c(=S)[nH]1 ZINC000228599559 350827083 /nfs/dbraw/zinc/82/70/83/350827083.db2.gz LQFPEVXPAXLINJ-MRVPVSSYSA-N 0 0 214.359 2.233 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)c2nnc(Cl)s2)C1 ZINC000128867468 350829019 /nfs/dbraw/zinc/82/90/19/350829019.db2.gz XXYTVUAELUEDFC-WDSKDSINSA-N 0 0 245.735 2.110 10 0 BEAERN CCON[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000306727934 350898819 /nfs/dbraw/zinc/89/88/19/350898819.db2.gz MZEFPICFRQAWPS-TZMCWYRMSA-N 0 0 234.343 2.191 10 0 BEAERN Clc1ccc(OCc2ncc[nH]2)cn1 ZINC000306730059 350899582 /nfs/dbraw/zinc/89/95/82/350899582.db2.gz PBUPUTOAFIVIHE-UHFFFAOYSA-N 0 0 209.636 2.037 10 0 BEAERN CNC(=O)Nc1cncc(Cl)c1Cl ZINC000306730573 350900034 /nfs/dbraw/zinc/90/00/34/350900034.db2.gz PPPPHGHEBCDURK-UHFFFAOYSA-N 0 0 220.059 2.140 10 0 BEAERN Clc1cncnc1N[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306730722 350900424 /nfs/dbraw/zinc/90/04/24/350900424.db2.gz PRXVEHSFZSMDLD-BKPPORCPSA-N 0 0 209.680 2.340 10 0 BEAERN C[C@H](Nc1cc(Cl)ncn1)C(F)F ZINC000306732536 350901206 /nfs/dbraw/zinc/90/12/06/350901206.db2.gz HHAREIABPHZWJI-BYPYZUCNSA-N 0 0 207.611 2.196 10 0 BEAERN CC1(C)CC[C@@H]1[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000306733221 350903439 /nfs/dbraw/zinc/90/34/39/350903439.db2.gz SRMGQRXFWSSQCG-ZJUUUORDSA-N 0 0 211.305 2.114 10 0 BEAERN CC1(C)CC[C@@]1([NH2+]C1CCCC1)C(=O)[O-] ZINC000306734314 350904728 /nfs/dbraw/zinc/90/47/28/350904728.db2.gz USENQDOWTDDZLO-GFCCVEGCSA-N 0 0 211.305 2.162 10 0 BEAERN CCOC(=O)N1CCC(c2ccon2)CC1 ZINC000616619684 350927375 /nfs/dbraw/zinc/92/73/75/350927375.db2.gz VOIJFVCOMWVKGN-UHFFFAOYSA-N 0 0 224.260 2.011 10 0 BEAERN NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1 ZINC000616619424 350927701 /nfs/dbraw/zinc/92/77/01/350927701.db2.gz HUUMJTINBLQTIM-SNVBAGLBSA-N 0 0 222.263 2.084 10 0 BEAERN O=C(CC1CCOCC1)[C@@H]1CCSC1 ZINC000159535419 350879702 /nfs/dbraw/zinc/87/97/02/350879702.db2.gz UWUDXWRXAKODHF-SNVBAGLBSA-N 0 0 214.330 2.125 10 0 BEAERN Cc1nscc1C(=O)N[C@H](C)C(C)C ZINC000179492753 180526165 /nfs/dbraw/zinc/52/61/65/180526165.db2.gz LJQZUCHCLQPBEB-SSDOTTSWSA-N 0 0 212.318 2.226 10 0 BEAERN O[C@]1(Cc2sccc2Cl)CCCOC1 ZINC000306721208 350888787 /nfs/dbraw/zinc/88/87/87/350888787.db2.gz DJUVQDATCZIONE-JTQLQIEISA-N 0 0 232.732 2.486 10 0 BEAERN C[C@H](CO)Nc1cc(F)ccc1Br ZINC000306726829 350897084 /nfs/dbraw/zinc/89/70/84/350897084.db2.gz AVECHQXABFCWHK-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN Nc1ccn(Cc2csc(Cl)c2)n1 ZINC000306729388 350897930 /nfs/dbraw/zinc/89/79/30/350897930.db2.gz KPMIAQDFUWLVTG-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN C[C@@H](O)c1cccn1Cc1cncs1 ZINC000159654083 350962330 /nfs/dbraw/zinc/96/23/30/350962330.db2.gz JSCWSRVURBAHEA-MRVPVSSYSA-N 0 0 208.286 2.046 10 0 BEAERN Cc1ncoc1-c1nnc(Cl)s1 ZINC000159680547 350963535 /nfs/dbraw/zinc/96/35/35/350963535.db2.gz AWEXNRWVCCEBDM-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CC(=O)c1csc(C[C@H]2CCCCO2)n1 ZINC000129047377 350964702 /nfs/dbraw/zinc/96/47/02/350964702.db2.gz VREFHENYXIWXLY-SECBINFHSA-N 0 0 225.313 2.457 10 0 BEAERN Cc1ccc([C@H](O)Cc2cncs2)o1 ZINC000159660646 350964969 /nfs/dbraw/zinc/96/49/69/350964969.db2.gz WZVXIQPOORLYQO-SECBINFHSA-N 0 0 209.270 2.321 10 0 BEAERN O=C(Cc1cncs1)[C@@H]1CCCS1 ZINC000159695874 350974726 /nfs/dbraw/zinc/97/47/26/350974726.db2.gz DGJVLADTOJDZDD-VIFPVBQESA-N 0 0 213.327 2.150 10 0 BEAERN COCc1cc(=S)n(C2CCCC2)[nH]1 ZINC000052305534 350983405 /nfs/dbraw/zinc/98/34/05/350983405.db2.gz YHQKIIBZUHAOQF-UHFFFAOYSA-N 0 0 212.318 2.433 10 0 BEAERN Fc1ccc(NC2COC2)cc1Br ZINC000159775573 350999523 /nfs/dbraw/zinc/99/95/23/350999523.db2.gz UOINLABVVXJBMU-UHFFFAOYSA-N 0 0 246.079 2.399 10 0 BEAERN Cc1ccc([C@H](O)c2cnc(N)s2)s1 ZINC000159813019 351006230 /nfs/dbraw/zinc/00/62/30/351006230.db2.gz OILNCLHJEOSNDZ-QMMMGPOBSA-N 0 0 226.326 2.177 10 0 BEAERN Cc1ccc([C@@H](O)c2cnc(N)s2)s1 ZINC000159813173 351006411 /nfs/dbraw/zinc/00/64/11/351006411.db2.gz OILNCLHJEOSNDZ-MRVPVSSYSA-N 0 0 226.326 2.177 10 0 BEAERN Cc1csc(-c2ncc(C=O)s2)n1 ZINC000159605799 350949752 /nfs/dbraw/zinc/94/97/52/350949752.db2.gz DNXUGGUWKPOIIY-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Nc1cccc(OCc2cncs2)c1 ZINC000159615381 350952386 /nfs/dbraw/zinc/95/23/86/350952386.db2.gz QDLKJTFAVXYLON-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN Cc1csc([C@H]2NC[C@H](C)S2)n1 ZINC000159620187 350953080 /nfs/dbraw/zinc/95/30/80/350953080.db2.gz GULUYKCQKQRDBU-BQBZGAKWSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@@H]1CC[C@@H](O)[C@@H](CCC(C)(C)O)C1 ZINC000222420194 350954697 /nfs/dbraw/zinc/95/46/97/350954697.db2.gz NLGAMTFWOIKLMX-OUAUKWLOSA-N 0 0 200.322 2.335 10 0 BEAERN Nc1cccnc1SCc1cncs1 ZINC000159625049 350955734 /nfs/dbraw/zinc/95/57/34/350955734.db2.gz HOZMXCGJOIMBSA-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN Oc1ccccc1OCc1cncs1 ZINC000159628866 350956493 /nfs/dbraw/zinc/95/64/93/350956493.db2.gz ZVGMYLOSIXKWQC-UHFFFAOYSA-N 0 0 207.254 2.428 10 0 BEAERN CC1(C)CC(CC(=O)[O-])([NH+]2CCCC2)C1 ZINC000306781400 351026598 /nfs/dbraw/zinc/02/65/98/351026598.db2.gz JPUMANGZECEXIP-UHFFFAOYSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1ccc(Br)cc1C(=O)N1CC1 ZINC000306797087 351053430 /nfs/dbraw/zinc/05/34/30/351053430.db2.gz XQXQFNGFKGRIEY-UHFFFAOYSA-N 0 0 240.100 2.213 10 0 BEAERN CCC[S@@](=O)Nc1ccc(NC)cc1 ZINC000306808246 351060302 /nfs/dbraw/zinc/06/03/02/351060302.db2.gz OKLGEFNCGMWFOV-CQSZACIVSA-N 0 0 212.318 2.214 10 0 BEAERN C[S@](=O)Nc1cccc(Br)c1 ZINC000306808052 351060351 /nfs/dbraw/zinc/06/03/51/351060351.db2.gz NZWAMEWUURXUDA-NSHDSACASA-N 0 0 234.118 2.155 10 0 BEAERN Cc1cnc(Cl)cc1O[C@@H]1CC[N@@H+](C)C1 ZINC000306808011 351060679 /nfs/dbraw/zinc/06/06/79/351060679.db2.gz NUOKTURGQJQCBV-SECBINFHSA-N 0 0 226.707 2.126 10 0 BEAERN CCC[S@](=O)Nc1cccc(N)c1C ZINC000306808507 351061420 /nfs/dbraw/zinc/06/14/20/351061420.db2.gz PGDOYNXMJBENDF-AWEZNQCLSA-N 0 0 212.318 2.063 10 0 BEAERN CCC[S@@](=O)Nc1ccc(O)cc1C ZINC000306809400 351062225 /nfs/dbraw/zinc/06/22/25/351062225.db2.gz RWARUMCUALSYIA-CQSZACIVSA-N 0 0 213.302 2.186 10 0 BEAERN Cc1sc(Br)c(N)c1C=O ZINC000082366018 180556564 /nfs/dbraw/zinc/55/65/64/180556564.db2.gz QYRNIXNHHDZQRR-UHFFFAOYSA-N 0 0 220.091 2.214 10 0 BEAERN Cc1sc(C(=O)N2CCC[C@H]2C)cc1N ZINC000040305913 180556669 /nfs/dbraw/zinc/55/66/69/180556669.db2.gz CALDCARHANBBEH-SSDOTTSWSA-N 0 0 224.329 2.263 10 0 BEAERN Cc1sccc1[C@@H]1NC(=O)[C@@H]1C(C)C ZINC000306770736 351012872 /nfs/dbraw/zinc/01/28/72/351012872.db2.gz BWVNMVSCUWKCHK-ZJUUUORDSA-N 0 0 209.314 2.500 10 0 BEAERN Nc1cc(F)cc(CSC2COC2)c1 ZINC000159858944 351014078 /nfs/dbraw/zinc/01/40/78/351014078.db2.gz IPJCNIXBFKHTHP-UHFFFAOYSA-N 0 0 213.277 2.040 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cn[nH]c2)C1 ZINC000616630283 351102730 /nfs/dbraw/zinc/10/27/30/351102730.db2.gz UTYUXTXNZZUFBO-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@@H](C(C)(C)C)N2 ZINC000725268354 538100046 /nfs/dbraw/zinc/10/00/46/538100046.db2.gz NHMWXHCWGZIPBZ-OLZOCXBDSA-N 0 0 235.327 2.439 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccncn2)CC1 ZINC000616626836 351107065 /nfs/dbraw/zinc/10/70/65/351107065.db2.gz CEXVETXIYMGOTN-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CC(=O)N1CCC[C@@H]1c1cccc2ccnnc21 ZINC000616634494 351117236 /nfs/dbraw/zinc/11/72/36/351117236.db2.gz ZSDNQEQKQWBJES-CYBMUJFWSA-N 0 0 241.294 2.313 10 0 BEAERN Cc1ccc(F)c2c(=O)[nH]c(Cl)nc12 ZINC000129317753 351122056 /nfs/dbraw/zinc/12/20/56/351122056.db2.gz HEJPVCWKLLRZPK-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN CC(C)c1noc([C@H]2CCCC(=O)C2)n1 ZINC000306811509 351079494 /nfs/dbraw/zinc/07/94/94/351079494.db2.gz XCMFSFLMZRMTKK-QMMMGPOBSA-N 0 0 208.261 2.420 10 0 BEAERN C[C@@H]1CC[C@@]1([NH2+]C1CCCCC1)C(=O)[O-] ZINC000306811500 351079556 /nfs/dbraw/zinc/07/95/56/351079556.db2.gz XBBFJZYJCCKWBS-SKDRFNHKSA-N 0 0 211.305 2.162 10 0 BEAERN CN[C@H](c1cscn1)c1cocc1C ZINC000306811295 351080461 /nfs/dbraw/zinc/08/04/61/351080461.db2.gz WOHRVNKEIVIGGJ-JTQLQIEISA-N 0 0 208.286 2.353 10 0 BEAERN C[C@@H]1CSC[C@]1(O)CC[C@H]1CCCO1 ZINC000306815732 351083728 /nfs/dbraw/zinc/08/37/28/351083728.db2.gz DBGJQIYACCUKLK-GMTAPVOTSA-N 0 0 216.346 2.060 10 0 BEAERN CC(C)(C)[C@@H]1CCCCCN1S(C)(=O)=O ZINC000616622432 351085911 /nfs/dbraw/zinc/08/59/11/351085911.db2.gz DBTOEFOZJZZRNM-JTQLQIEISA-N 0 0 233.377 2.237 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccnc3ccccc32)C1 ZINC000616623008 351088400 /nfs/dbraw/zinc/08/84/00/351088400.db2.gz BCLKBNCATZNLDX-SNVBAGLBSA-N 0 0 241.294 2.103 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1cocn1 ZINC000616623200 351088532 /nfs/dbraw/zinc/08/85/32/351088532.db2.gz JUINWAGFCRQZNM-NSHDSACASA-N 0 0 208.261 2.138 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cn[nH]c1 ZINC000616623616 351089417 /nfs/dbraw/zinc/08/94/17/351089417.db2.gz NSVVBYQXLZNEOL-JTQLQIEISA-N 0 0 223.276 2.093 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1ccon1 ZINC000616624455 351092253 /nfs/dbraw/zinc/09/22/53/351092253.db2.gz NVFMMMAWOXBBRM-LLVKDONJSA-N 0 0 208.261 2.138 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616624800 351092524 /nfs/dbraw/zinc/09/25/24/351092524.db2.gz RMUQHZCFWLLEDH-CYBMUJFWSA-N 0 0 248.326 2.175 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616627631 351095999 /nfs/dbraw/zinc/09/59/99/351095999.db2.gz JDFGLZRCMKETPA-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cocn2)C1 ZINC000616629132 351100028 /nfs/dbraw/zinc/10/00/28/351100028.db2.gz PCTODMJPADCMSB-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN COC(=O)N1CCC[C@H](c2ncco2)CC1 ZINC000616629269 351100088 /nfs/dbraw/zinc/10/00/88/351100088.db2.gz NQGYXXLCPVYGPJ-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN COc1ccc([C@H]2CN(C(C)=O)CCCO2)cc1 ZINC000616655222 351193044 /nfs/dbraw/zinc/19/30/44/351193044.db2.gz WQVPQZFWTMDWRV-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN COCc1cn2cccc(Br)c2n1 ZINC000231720117 351162345 /nfs/dbraw/zinc/16/23/45/351162345.db2.gz PWTKNIUQDKVGRC-UHFFFAOYSA-N 0 0 241.088 2.243 10 0 BEAERN COc1ccc([C@@H]2COCCCN2C(C)=O)cc1 ZINC000616647297 351165105 /nfs/dbraw/zinc/16/51/05/351165105.db2.gz DKXUPKBZDIXOFF-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CCN1CCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616645277 351167439 /nfs/dbraw/zinc/16/74/39/351167439.db2.gz ATWSZKLVEDXOHQ-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CCN(C)c1nc2ccc(N)cc2s1 ZINC000063103416 351168952 /nfs/dbraw/zinc/16/89/52/351168952.db2.gz AEOFKVNZPDIUDU-UHFFFAOYSA-N 0 0 207.302 2.335 10 0 BEAERN CC[C@H]1COCCCN1C(=O)OC(C)(C)C ZINC000616646386 351170557 /nfs/dbraw/zinc/17/05/57/351170557.db2.gz QIVSLUKLZJDYRR-JTQLQIEISA-N 0 0 229.320 2.422 10 0 BEAERN COc1ccccc1[C@@H]1COCCCN1C(C)=O ZINC000616647797 351174937 /nfs/dbraw/zinc/17/49/37/351174937.db2.gz GOUKDDHRUIJTAR-ZDUSSCGKSA-N 0 0 249.310 2.005 10 0 BEAERN CC[C@@H]1COCCCN1C(=O)OC(C)(C)C ZINC000616647980 351175562 /nfs/dbraw/zinc/17/55/62/351175562.db2.gz QIVSLUKLZJDYRR-SNVBAGLBSA-N 0 0 229.320 2.422 10 0 BEAERN CCOC(=O)N1CCCO[C@@H](C(C)(C)C)C1 ZINC000616651296 351181713 /nfs/dbraw/zinc/18/17/13/351181713.db2.gz GUMJKJWHYZJZGD-SNVBAGLBSA-N 0 0 229.320 2.280 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2ccno2)C1 ZINC000616652918 351186792 /nfs/dbraw/zinc/18/67/92/351186792.db2.gz JGIZFNMEMBGPNK-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN O[C@@H](Cc1cncs1)[C@H]1CCCSC1 ZINC000306820938 351127579 /nfs/dbraw/zinc/12/75/79/351127579.db2.gz JREJORLEYSTVIW-WPRPVWTQSA-N 0 0 229.370 2.190 10 0 BEAERN CON[C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000306822967 351129088 /nfs/dbraw/zinc/12/90/88/351129088.db2.gz OIJGRAHWZVGUQT-SNVBAGLBSA-N 0 0 246.351 2.221 10 0 BEAERN CC(C)(C)N1CCOC[C@@H]1c1ccccn1 ZINC000616637417 351132886 /nfs/dbraw/zinc/13/28/86/351132886.db2.gz MNNLDVYUHRJPTH-GFCCVEGCSA-N 0 0 220.316 2.253 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1c1cocn1 ZINC000616670662 351230490 /nfs/dbraw/zinc/23/04/90/351230490.db2.gz YPQFKPYMISBCMO-LBPRGKRZSA-N 0 0 243.266 2.247 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1c1ccon1 ZINC000616670595 351233601 /nfs/dbraw/zinc/23/36/01/351233601.db2.gz YWIGHEPHVVWDNL-CQSZACIVSA-N 0 0 244.294 2.161 10 0 BEAERN Clc1cc(NC[C@@H]2CCCO2)nc(Cl)n1 ZINC000149484454 180575867 /nfs/dbraw/zinc/57/58/67/180575867.db2.gz CCYLTMFKDZHQHO-LURJTMIESA-N 0 0 248.113 2.374 10 0 BEAERN OCCN1C[C@@H](C(F)(F)F)Cc2ccccc21 ZINC000616672381 351236049 /nfs/dbraw/zinc/23/60/49/351236049.db2.gz JLLYMOJKHIGKOJ-JTQLQIEISA-N 0 0 245.244 2.220 10 0 BEAERN Clc1cc2ncncc2c(Cl)n1 ZINC000095932392 180576263 /nfs/dbraw/zinc/57/62/63/180576263.db2.gz UPVWNDUDNFFBIZ-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN NC(=O)N1CC[C@H](c2cocn2)c2ccccc21 ZINC000616674496 351238891 /nfs/dbraw/zinc/23/88/91/351238891.db2.gz DIWDJUJSGQFDIV-VIFPVBQESA-N 0 0 243.266 2.095 10 0 BEAERN CC(=O)N1C[C@H](c2cnoc2)Cc2ccccc21 ZINC000616672790 351239477 /nfs/dbraw/zinc/23/94/77/351239477.db2.gz KRTNYNFHKKZRFR-GFCCVEGCSA-N 0 0 242.278 2.367 10 0 BEAERN CCN1CC[C@@H](c2cc(N)n[nH]2)c2ccccc21 ZINC000616672671 351239663 /nfs/dbraw/zinc/23/96/63/351239663.db2.gz OYYNJWKQNFXNHK-SNVBAGLBSA-N 0 0 242.326 2.184 10 0 BEAERN CCN1C[C@@H](C(C)=O)Cc2ccccc21 ZINC000616673197 351240055 /nfs/dbraw/zinc/24/00/55/351240055.db2.gz PSTMFYLOODNVQO-LBPRGKRZSA-N 0 0 203.285 2.274 10 0 BEAERN CCN1CC[C@@H](c2cnno2)c2ccccc21 ZINC000616673252 351240415 /nfs/dbraw/zinc/24/04/15/351240415.db2.gz TWCSKDVGJPSUHD-LLVKDONJSA-N 0 0 229.283 2.432 10 0 BEAERN OCCN1CC[C@H](c2cnoc2)c2ccccc21 ZINC000616676587 351241439 /nfs/dbraw/zinc/24/14/39/351241439.db2.gz XNZDYPNKOXFASO-GFCCVEGCSA-N 0 0 244.294 2.009 10 0 BEAERN CCN1CC[C@H](NC(C)=O)c2ccccc21 ZINC000616675061 351242313 /nfs/dbraw/zinc/24/23/13/351242313.db2.gz KQGIONTVTFQOID-LBPRGKRZSA-N 0 0 218.300 2.094 10 0 BEAERN CN1CC[C@H](c2cn[nH]c2)c2ccccc21 ZINC000616675090 351242327 /nfs/dbraw/zinc/24/23/27/351242327.db2.gz LSKICMDZBYCXLK-LLVKDONJSA-N 0 0 213.284 2.382 10 0 BEAERN CCOC(=O)N1CCc2ccccc2[C@@H]1OC ZINC000616677063 351242339 /nfs/dbraw/zinc/24/23/39/351242339.db2.gz HHRUWRQUUIGFNO-LBPRGKRZSA-N 0 0 235.283 2.346 10 0 BEAERN CC(C)N1CC[C@H](CO)c2ccccc21 ZINC000616675735 351243506 /nfs/dbraw/zinc/24/35/06/351243506.db2.gz PWAUSXWWUUMNHI-LLVKDONJSA-N 0 0 205.301 2.381 10 0 BEAERN CC[C@@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000616677285 351243844 /nfs/dbraw/zinc/24/38/44/351243844.db2.gz ZJBXURMVLICMDU-SNVBAGLBSA-N 0 0 239.340 2.350 10 0 BEAERN CCn1cnc(C(=O)[C@@]2(C)CCCS2)c1 ZINC000306864639 351243901 /nfs/dbraw/zinc/24/39/01/351243901.db2.gz KTDZMDSPPXJKIR-LLVKDONJSA-N 0 0 224.329 2.371 10 0 BEAERN C[C@H]1C[C@H](Nc2nsnc2Cl)CS1 ZINC000306863131 351245225 /nfs/dbraw/zinc/24/52/25/351245225.db2.gz JKLHTNGRCBJNFX-WHFBIAKZSA-N 0 0 235.765 2.497 10 0 BEAERN CC(C)N1CCc2ccccc2[C@@H]1c1cn[nH]n1 ZINC000616679666 351246263 /nfs/dbraw/zinc/24/62/63/351246263.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 0 0 242.326 2.161 10 0 BEAERN CCN1C[C@@H](c2cn[nH]c2)Nc2ccccc21 ZINC000616680919 351248483 /nfs/dbraw/zinc/24/84/83/351248483.db2.gz JCCSXZPVSJTQSV-LBPRGKRZSA-N 0 0 228.299 2.403 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cccc(N)n1 ZINC000616682599 351252970 /nfs/dbraw/zinc/25/29/70/351252970.db2.gz IXRCWVZGLDFMDG-ZDUSSCGKSA-N 0 0 240.310 2.267 10 0 BEAERN CCN1C[C@H](c2cncnc2)Nc2ccccc21 ZINC000616683032 351253554 /nfs/dbraw/zinc/25/35/54/351253554.db2.gz NSQMCAPGOGGURJ-CYBMUJFWSA-N 0 0 240.310 2.470 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1ccncn1 ZINC000616683404 351253980 /nfs/dbraw/zinc/25/39/80/351253980.db2.gz OHSHFFJOBGZLRK-AWEZNQCLSA-N 0 0 240.310 2.470 10 0 BEAERN CN1C[C@@H](OC(F)(F)F)Nc2ccccc21 ZINC000616685386 351254605 /nfs/dbraw/zinc/25/46/05/351254605.db2.gz HSQHPQVPFARGLT-SECBINFHSA-N 0 0 232.205 2.411 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ccno1 ZINC000616685042 351255651 /nfs/dbraw/zinc/25/56/51/351255651.db2.gz XYLCMBLEPDQJBN-NSHDSACASA-N 0 0 215.256 2.278 10 0 BEAERN C[C@@H]1Cc2c(cnn2C(C)(C)C)C(=O)C1 ZINC000306868384 351258843 /nfs/dbraw/zinc/25/88/43/351258843.db2.gz RDOUXUVIJPJUGT-MRVPVSSYSA-N 0 0 206.289 2.403 10 0 BEAERN CC(=O)N1C[C@@H](c2cn[nH]c2)Cc2ccccc21 ZINC000616689611 351259114 /nfs/dbraw/zinc/25/91/14/351259114.db2.gz GUZBYEMTWKRSHX-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN CC(=O)N1C[C@@H](c2cocn2)Cc2ccccc21 ZINC000616689251 351259407 /nfs/dbraw/zinc/25/94/07/351259407.db2.gz CWKWJMPAOQHWTJ-LBPRGKRZSA-N 0 0 242.278 2.367 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2cnoc2)C1 ZINC000616654295 351195718 /nfs/dbraw/zinc/19/57/18/351195718.db2.gz SAYHZMLTPQIQBT-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN COc1ccccc1[C@H]1CN(C(C)=O)CCCO1 ZINC000616654400 351195772 /nfs/dbraw/zinc/19/57/72/351195772.db2.gz AHNZGEUFGGLJOK-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CC(=O)N1CCOCC[C@H]1c1ccccc1F ZINC000616656971 351197526 /nfs/dbraw/zinc/19/75/26/351197526.db2.gz RANAZSFMTJOHDN-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN CC(=O)N1CCOCC[C@@H]1c1cccc(F)c1 ZINC000616657102 351197864 /nfs/dbraw/zinc/19/78/64/351197864.db2.gz LLUWMHCRWQUWOY-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CCC[C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000607225020 351215657 /nfs/dbraw/zinc/21/56/57/351215657.db2.gz KFCWOJWTNOTODJ-SRVKXCTJSA-N 0 0 242.363 2.025 10 0 BEAERN COc1ccccc1[C@@H]1CCN(C(C)=O)CCO1 ZINC000616665422 351222672 /nfs/dbraw/zinc/22/26/72/351222672.db2.gz IBWRKSHHDFGQPI-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN c1cc([C@@H]2CNc3ccccc3C2)on1 ZINC000616667922 351224783 /nfs/dbraw/zinc/22/47/83/351224783.db2.gz DYJVAXFCZWYZPH-JTQLQIEISA-N 0 0 200.241 2.426 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1c1ccon1 ZINC000616668026 351225887 /nfs/dbraw/zinc/22/58/87/351225887.db2.gz DPRHBHINLPVRBH-LBPRGKRZSA-N 0 0 243.266 2.247 10 0 BEAERN CCOC(=O)N1c2ccccc2CC[C@H]1CCO ZINC000616666957 351227409 /nfs/dbraw/zinc/22/74/09/351227409.db2.gz ABTIOKXPQRQFDS-LBPRGKRZSA-N 0 0 249.310 2.347 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1c1cnco1 ZINC000616669452 351228691 /nfs/dbraw/zinc/22/86/91/351228691.db2.gz PBSHSOJOQODIHY-NSHDSACASA-N 0 0 243.266 2.247 10 0 BEAERN O=C1NCCOc2c(Cl)ccc(Cl)c21 ZINC000168076403 351286591 /nfs/dbraw/zinc/28/65/91/351286591.db2.gz JNDXEWNSUDXDHL-UHFFFAOYSA-N 0 0 232.066 2.116 10 0 BEAERN CCc1cnc([C@@H](O)c2ccc[nH]2)s1 ZINC000306885395 351292338 /nfs/dbraw/zinc/29/23/38/351292338.db2.gz RIJGDFSCARPVGW-VIFPVBQESA-N 0 0 208.286 2.115 10 0 BEAERN O=C([O-])c1ccc(NCC[NH+]2CCCCC2)cc1 ZINC000041579259 351334700 /nfs/dbraw/zinc/33/47/00/351334700.db2.gz YWOJPBOOGGYTTG-UHFFFAOYSA-N 0 0 248.326 2.283 10 0 BEAERN COc1ccc(Br)c2c1OCC2=O ZINC000306900746 351315608 /nfs/dbraw/zinc/31/56/08/351315608.db2.gz MLFBWJPIKMPNGR-UHFFFAOYSA-N 0 0 243.056 2.033 10 0 BEAERN Cn1nccc1C(=O)c1ccccc1Cl ZINC000069019792 351335824 /nfs/dbraw/zinc/33/58/24/351335824.db2.gz LSKVJWMIGWVQEP-UHFFFAOYSA-N 0 0 220.659 2.305 10 0 BEAERN CN[C@@H](c1coc(C)n1)c1cccs1 ZINC000306907326 351321815 /nfs/dbraw/zinc/32/18/15/351321815.db2.gz NIKCAQOMKUUFCY-JTQLQIEISA-N 0 0 208.286 2.353 10 0 BEAERN O=C(Nc1ncccc1Cl)C(F)(F)F ZINC000231770812 351328487 /nfs/dbraw/zinc/32/84/87/351328487.db2.gz JPMAUUBYROQZOK-UHFFFAOYSA-N 0 0 224.569 2.236 10 0 BEAERN CCNc1nsnc1-c1ccns1 ZINC000306872991 351267658 /nfs/dbraw/zinc/26/76/58/351267658.db2.gz WLZYHSNSVYGENY-UHFFFAOYSA-N 0 0 212.303 2.093 10 0 BEAERN Nc1cc2nc(-c3ccccc3)nn2cc1F ZINC000168180907 351332522 /nfs/dbraw/zinc/33/25/22/351332522.db2.gz ODKMOWZZSBXTGB-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN COC(=O)c1ccc2ccsc2c1O ZINC000168301640 351367298 /nfs/dbraw/zinc/36/72/98/351367298.db2.gz DIGWATPWWNTOND-UHFFFAOYSA-N 0 0 208.238 2.394 10 0 BEAERN Cc1cnn(CCc2ccccc2)c1N ZINC000034964031 351367425 /nfs/dbraw/zinc/36/74/25/351367425.db2.gz QQSAALMYPDYVHU-UHFFFAOYSA-N 0 0 201.273 2.016 10 0 BEAERN Cc1cc(C(=O)c2cncs2)sn1 ZINC000306949786 351375096 /nfs/dbraw/zinc/37/50/96/351375096.db2.gz XDNQELUODSLARO-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN C[C@H]1C[C@H](Nc2ccnc(Cl)n2)CS1 ZINC000306989538 351405211 /nfs/dbraw/zinc/40/52/11/351405211.db2.gz SCOZSOFBJFIKOM-BQBZGAKWSA-N 0 0 229.736 2.436 10 0 BEAERN Fc1ccc(Cl)c(NC2COC2)c1 ZINC000231811899 351377695 /nfs/dbraw/zinc/37/76/95/351377695.db2.gz QQYPLYCAZFLDJE-UHFFFAOYSA-N 0 0 201.628 2.290 10 0 BEAERN Cc1csc(-c2nnc(CN)s2)c1 ZINC000306960155 351381928 /nfs/dbraw/zinc/38/19/28/351381928.db2.gz YQFNCDVOFQDAFD-UHFFFAOYSA-N 0 0 211.315 2.034 10 0 BEAERN COCCOc1c(O)cccc1Br ZINC000606241610 351405767 /nfs/dbraw/zinc/40/57/67/351405767.db2.gz GHLBLUXGHUMCJS-UHFFFAOYSA-N 0 0 247.088 2.180 10 0 BEAERN C[C@@H](NC1=N[C@@H](C)[C@H](C)S1)C(F)F ZINC000306979415 351397261 /nfs/dbraw/zinc/39/72/61/351397261.db2.gz OVBTUTNLTSAUKW-JKUQZMGJSA-N 0 0 208.277 2.109 10 0 BEAERN Nc1cc(=O)[nH]c(SCC2CCCCC2)n1 ZINC000034936612 351350451 /nfs/dbraw/zinc/35/04/51/351350451.db2.gz RQYAZKKIAYAMCF-UHFFFAOYSA-N 0 0 239.344 2.025 10 0 BEAERN CCc1ccsc1C(=O)c1ccnn1C ZINC000168244429 351352076 /nfs/dbraw/zinc/35/20/76/351352076.db2.gz ILPQRWVDVXUMDZ-UHFFFAOYSA-N 0 0 220.297 2.275 10 0 BEAERN CCC[C@H](C)NC(=O)[C@H](C)NCc1ccco1 ZINC000034938488 351352917 /nfs/dbraw/zinc/35/29/17/351352917.db2.gz FNQCBVJILCBIEW-QWRGUYRKSA-N 0 0 238.331 2.063 10 0 BEAERN CCC(CC)NC(=O)[C@H](C)NCc1ccco1 ZINC000034938484 351353391 /nfs/dbraw/zinc/35/33/91/351353391.db2.gz BFUPKEWADJBWRN-JTQLQIEISA-N 0 0 238.331 2.063 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CCS[C@@H]1C ZINC000306931352 351356586 /nfs/dbraw/zinc/35/65/86/351356586.db2.gz BQCVWEHLISSRPQ-VDTYLAMSSA-N 0 0 217.725 2.306 10 0 BEAERN Nc1c(O)ccc(F)c1OC(F)(F)F ZINC000306935025 351358978 /nfs/dbraw/zinc/35/89/78/351358978.db2.gz HTJBEGFMDOCRIM-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN C[N@H+](/C=C/C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000306938766 351360153 /nfs/dbraw/zinc/36/01/53/351360153.db2.gz JYSOTIXEFCNVEC-WPTKRNLMSA-N 0 0 209.289 2.095 10 0 BEAERN CN(CCc1ccccn1)c1ccccc1CO ZINC000034956834 351362011 /nfs/dbraw/zinc/36/20/11/351362011.db2.gz PEJJCDRSOPDUMU-UHFFFAOYSA-N 0 0 242.322 2.253 10 0 BEAERN Cc1cc(SC(C)(C)CO)ccc1N ZINC000307024114 351427849 /nfs/dbraw/zinc/42/78/49/351427849.db2.gz HYMANKOHLXTSFY-UHFFFAOYSA-N 0 0 211.330 2.440 10 0 BEAERN C[C@@H](NC1=NC(C)(C)CS1)C(F)F ZINC000307027043 351435343 /nfs/dbraw/zinc/43/53/43/351435343.db2.gz ZHTCZABQHGCCPJ-RXMQYKEDSA-N 0 0 208.277 2.111 10 0 BEAERN COC(=O)Oc1ccc(N)c(Cl)c1 ZINC000307039330 351437497 /nfs/dbraw/zinc/43/74/97/351437497.db2.gz QDWJRSQFVZADCS-UHFFFAOYSA-N 0 0 201.609 2.067 10 0 BEAERN CC1(C)OC[C@H](Cc2ccsc2)[C@@H]1O ZINC000307035881 351438322 /nfs/dbraw/zinc/43/83/22/351438322.db2.gz WCKSOFVZWJYSQP-UWVGGRQHSA-N 0 0 212.314 2.077 10 0 BEAERN CC(F)(F)Cc1nnc(Br)s1 ZINC000307042610 351444994 /nfs/dbraw/zinc/44/49/94/351444994.db2.gz SCQILJJOWJSVDF-UHFFFAOYSA-N 0 0 243.076 2.498 10 0 BEAERN Cc1cc([C@H]2N[C@H](C)CS2)sn1 ZINC000404459572 351458191 /nfs/dbraw/zinc/45/81/91/351458191.db2.gz ZDPLRNYCTNOQOF-SVRRBLITSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@H]1CCS[C@@H](c2ccns2)N1 ZINC000404456311 351461065 /nfs/dbraw/zinc/46/10/65/351461065.db2.gz WBOWXIFGFZPRSY-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN S=c1[nH]ccn1C[C@@H]1CCCSC1 ZINC000306984371 351407851 /nfs/dbraw/zinc/40/78/51/351407851.db2.gz VCKQHZSJBDASDB-QMMMGPOBSA-N 0 0 214.359 2.315 10 0 BEAERN CO[C@@H]1CC[C@@H](OCc2ccccc2)CO1 ZINC000214526939 351416417 /nfs/dbraw/zinc/41/64/17/351416417.db2.gz RPWJABFKEMWTRZ-OLZOCXBDSA-N 0 0 222.284 2.355 10 0 BEAERN Cc1cscc1NCc1ncccn1 ZINC000307008301 351416484 /nfs/dbraw/zinc/41/64/84/351416484.db2.gz HDVQNPUUMJMSAV-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CC1CCC([C@H]([NH3+])C(C)(C)C(=O)[O-])CC1 ZINC000307011586 351419394 /nfs/dbraw/zinc/41/93/94/351419394.db2.gz LDUREGYMBPLYIU-RTBKNWGFSA-N 0 0 213.321 2.251 10 0 BEAERN Cc1ccc([C@@H](O)[C@@H](C)O)cc1Cl ZINC000231986527 351494266 /nfs/dbraw/zinc/49/42/66/351494266.db2.gz PZILQDPZUWQQFH-XCBNKYQSSA-N 0 0 200.665 2.063 10 0 BEAERN OC[C@@H]1CCC[C@@H](Nc2nsnc2Cl)C1 ZINC000307145133 351497621 /nfs/dbraw/zinc/49/76/21/351497621.db2.gz IUJHOKWFLAISCD-RNFRBKRXSA-N 0 0 247.751 2.155 10 0 BEAERN Cc1cc(Cl)c(C(=O)NOC(C)C)cn1 ZINC000307145274 351497886 /nfs/dbraw/zinc/49/78/86/351497886.db2.gz GKBOKULNPOTKTG-UHFFFAOYSA-N 0 0 228.679 2.113 10 0 BEAERN O=Cc1ncc(-c2cncc(F)c2)s1 ZINC000307145983 351498673 /nfs/dbraw/zinc/49/86/73/351498673.db2.gz NDPBDPVOUXKDPW-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN CC1(C)OC[C@H](Cc2ccsc2)C1=O ZINC000307155435 351506306 /nfs/dbraw/zinc/50/63/06/351506306.db2.gz DZMDXABKOXSVIN-VIFPVBQESA-N 0 0 210.298 2.285 10 0 BEAERN Nc1scnc1[C@@H]1CCCSC1 ZINC000307157027 351508256 /nfs/dbraw/zinc/50/82/56/351508256.db2.gz PDZSXUJMLMMDGQ-ZCFIWIBFSA-N 0 0 200.332 2.336 10 0 BEAERN O[C@@H](c1ccc[nH]1)c1ncc(Cl)s1 ZINC000307108837 351479856 /nfs/dbraw/zinc/47/98/56/351479856.db2.gz JNSJGGXBEHVURV-ZETCQYMHSA-N 0 0 214.677 2.206 10 0 BEAERN Cc1nc(Cl)c(C=O)c(NC2(C)CC2)n1 ZINC000228910249 351484598 /nfs/dbraw/zinc/48/45/98/351484598.db2.gz NNOVUEKPPVWRBH-UHFFFAOYSA-N 0 0 225.679 2.215 10 0 BEAERN COc1cncc(I)c1C ZINC000307113580 351485481 /nfs/dbraw/zinc/48/54/81/351485481.db2.gz RCLQNXZSQJCNQX-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN CNc1nnc(-c2cc(Cl)c[nH]2)s1 ZINC000307115246 351485650 /nfs/dbraw/zinc/48/56/50/351485650.db2.gz NVBQLQYFHKDOKJ-UHFFFAOYSA-N 0 0 214.681 2.228 10 0 BEAERN N[C@H](c1ccsn1)c1ccc(Cl)o1 ZINC000307121839 351489857 /nfs/dbraw/zinc/48/98/57/351489857.db2.gz KFKJWTUSFZKJCY-MRVPVSSYSA-N 0 0 214.677 2.438 10 0 BEAERN C[C@H]1CC[C@@H]1NC(=O)C(C)(C)Br ZINC000307161941 351526361 /nfs/dbraw/zinc/52/63/61/351526361.db2.gz XVFADFBDXHKEMJ-BQBZGAKWSA-N 0 0 234.137 2.075 10 0 BEAERN C[C@@H]1CC[C@H]1NC(=O)C(C)(C)Br ZINC000307161944 351526586 /nfs/dbraw/zinc/52/65/86/351526586.db2.gz XVFADFBDXHKEMJ-RNFRBKRXSA-N 0 0 234.137 2.075 10 0 BEAERN Cc1c(Cl)cnn1Cc1ccnc(Cl)n1 ZINC000307164809 351527038 /nfs/dbraw/zinc/52/70/38/351527038.db2.gz HQMDRDGWZWIJEC-UHFFFAOYSA-N 0 0 243.097 2.337 10 0 BEAERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](O)C2)s1 ZINC000390795746 363060236 /nfs/dbraw/zinc/06/02/36/363060236.db2.gz QWHLJZBIIRPHCS-YUMQZZPRSA-N 0 0 242.300 2.372 10 0 BEAERN Cn1c(-c2ccc(F)c(N)c2)nc2cccnc21 ZINC000104321797 180606544 /nfs/dbraw/zinc/60/65/44/180606544.db2.gz BUIGEXWHRQENGT-UHFFFAOYSA-N 0 0 242.257 2.357 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCCC21CCC1 ZINC000307167530 351540296 /nfs/dbraw/zinc/54/02/96/351540296.db2.gz RXBSDQKWAAYIHX-CMPLNLGQSA-N 0 0 210.273 2.041 10 0 BEAERN CCn1nncc1C(=O)C1(C)CCCC1 ZINC000300851365 363067667 /nfs/dbraw/zinc/06/76/67/363067667.db2.gz KZZBQZXEQBDROB-UHFFFAOYSA-N 0 0 207.277 2.061 10 0 BEAERN C[C@@H](c1ccc(F)cc1)n1cc(N)cn1 ZINC000606301496 351548987 /nfs/dbraw/zinc/54/89/87/351548987.db2.gz YXPPMGABLZFJGY-QMMMGPOBSA-N 0 0 205.236 2.214 10 0 BEAERN Cc1cccc(C(=O)Cc2csnn2)c1 ZINC000307175019 351566204 /nfs/dbraw/zinc/56/62/04/351566204.db2.gz VEFJTDBOULIRMQ-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN COc1ncc([C@]2(O)CCC[C@@H]2C)s1 ZINC000307204191 351606765 /nfs/dbraw/zinc/60/67/65/351606765.db2.gz FOIKPDAQNYIJDZ-XVKPBYJWSA-N 0 0 213.302 2.159 10 0 BEAERN COC(=O)C[C@H]1COc2cc(C)cc(C)c21 ZINC000606302515 351555887 /nfs/dbraw/zinc/55/58/87/351555887.db2.gz OBFXNXHIZJVYQP-JTQLQIEISA-N 0 0 220.268 2.343 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](O)[C@@H](C(F)F)N2 ZINC000725268563 538100724 /nfs/dbraw/zinc/10/07/24/538100724.db2.gz WJEAUXRNVNYHKH-MNOVXSKESA-N 0 0 243.253 2.048 10 0 BEAERN C[C@@H](CO)Nc1ccc(F)cc1Cl ZINC000307225233 351656917 /nfs/dbraw/zinc/65/69/17/351656917.db2.gz UCMYOBLGIDHDKP-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN Cc1cc(N)c(N)c(C)c1Br ZINC000232060287 351614685 /nfs/dbraw/zinc/61/46/85/351614685.db2.gz HDYRDYXOHPPJAG-UHFFFAOYSA-N 0 0 215.094 2.230 10 0 BEAERN C[C@H]1C[C@@H](NC2N=NC(=S)S2)CS1 ZINC000307214994 351614957 /nfs/dbraw/zinc/61/49/57/351614957.db2.gz SFSJZHQNZHXCCY-CRCLSJGQSA-N 0 0 233.387 2.133 10 0 BEAERN C[C@@H]1C[C@@H](NC2N=NC(=S)S2)CS1 ZINC000307214996 351615998 /nfs/dbraw/zinc/61/59/98/351615998.db2.gz SFSJZHQNZHXCCY-RFZPGFLSSA-N 0 0 233.387 2.133 10 0 BEAERN Clc1ncccc1NC1CSC1 ZINC000307230465 351681313 /nfs/dbraw/zinc/68/13/13/351681313.db2.gz BOAQHBBZUHNUGF-UHFFFAOYSA-N 0 0 200.694 2.262 10 0 BEAERN Cc1nc([C@H](O)[C@H]2CCSC2)cs1 ZINC000307232736 351687627 /nfs/dbraw/zinc/68/76/27/351687627.db2.gz DQUFUBYHEQHSOX-IONNQARKSA-N 0 0 215.343 2.238 10 0 BEAERN FC1(F)CC(CNN2CCCCC2)C1 ZINC000307243619 351750064 /nfs/dbraw/zinc/75/00/64/351750064.db2.gz KDRIBEBMUSFYPW-UHFFFAOYSA-N 0 0 204.264 2.022 10 0 BEAERN CS[C@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000307254115 351788398 /nfs/dbraw/zinc/78/83/98/351788398.db2.gz WXPVMNSCIPLMIU-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN COC(=O)c1csc(C)c1[C@@H]1CCOC1 ZINC000307254743 351788649 /nfs/dbraw/zinc/78/86/49/351788649.db2.gz YJKOYKVEZKNHIG-MRVPVSSYSA-N 0 0 226.297 2.347 10 0 BEAERN CS[C@H]1CCN(c2nc(C(C)=O)cs2)C1 ZINC000307254271 351788821 /nfs/dbraw/zinc/78/88/21/351788821.db2.gz XIAFAZBIUZRMRM-QMMMGPOBSA-N 0 0 242.369 2.287 10 0 BEAERN O=C(Cc1ccncc1)C1CC(F)(F)C1 ZINC000307254703 351789686 /nfs/dbraw/zinc/78/96/86/351789686.db2.gz YFTZFXYRAABYOT-UHFFFAOYSA-N 0 0 211.211 2.239 10 0 BEAERN C[C@@H](NC1N=NC(=S)S1)C(C)(F)F ZINC000307255308 351791523 /nfs/dbraw/zinc/79/15/23/351791523.db2.gz APBXZKLXTKVNRL-GSVOUGTGSA-N 0 0 225.289 2.282 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000162561607 323626849 /nfs/dbraw/zinc/62/68/49/323626849.db2.gz SLFLBPULHPUBIB-MXWKQRLJSA-N 0 0 225.332 2.106 10 0 BEAERN C[C@H](NC1=N[C@@H](C)CS1)C(F)(F)F ZINC000307286658 351852134 /nfs/dbraw/zinc/85/21/34/351852134.db2.gz RSVDZFPNEVTOMQ-WHFBIAKZSA-N 0 0 212.240 2.018 10 0 BEAERN Cn1cc(COc2cc(Cl)ccc2N)cn1 ZINC000051609346 180653561 /nfs/dbraw/zinc/65/35/61/180653561.db2.gz BLGOTSISCLWFAP-UHFFFAOYSA-N 0 0 237.690 2.235 10 0 BEAERN Nc1cc(Br)ccc1-c1nnco1 ZINC000307288740 351854906 /nfs/dbraw/zinc/85/49/06/351854906.db2.gz DDUPQIALUSKOCX-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@H]1CCCSC1 ZINC000307306047 351932590 /nfs/dbraw/zinc/93/25/90/351932590.db2.gz SLEHEBGZLSNOJR-KKZNHRDASA-N 0 0 213.346 2.044 10 0 BEAERN ClC1(Cl)C[C@@H]1CNc1ncns1 ZINC000307297963 351911813 /nfs/dbraw/zinc/91/18/13/351911813.db2.gz VVJFEGOPDBTEGB-SCSAIBSYSA-N 0 0 224.116 2.144 10 0 BEAERN CCc1ccc(N)cc1NC(=O)C(F)(F)F ZINC000307311440 351987371 /nfs/dbraw/zinc/98/73/71/351987371.db2.gz ZMQSBGUPCMEHJS-UHFFFAOYSA-N 0 0 232.205 2.332 10 0 BEAERN O=C(c1cn[nH]c1)c1ccsc1Cl ZINC000307319853 351999736 /nfs/dbraw/zinc/99/97/36/351999736.db2.gz UBPQNPYRFXWBFS-UHFFFAOYSA-N 0 0 212.661 2.356 10 0 BEAERN Cc1cnn(C)c1C(=O)[C@H]1CCC[C@@H]1C ZINC000307336447 352053665 /nfs/dbraw/zinc/05/36/65/352053665.db2.gz RZZIYLFFNBNFOG-WPRPVWTQSA-N 0 0 206.289 2.347 10 0 BEAERN CC[C@@H](C)N(C)c1cnc(Br)cn1 ZINC000307336948 352055630 /nfs/dbraw/zinc/05/56/30/352055630.db2.gz FRKJEQMDUUJAQY-SSDOTTSWSA-N 0 0 244.136 2.474 10 0 BEAERN CC(=O)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000019410770 187589068 /nfs/dbraw/zinc/58/90/68/187589068.db2.gz UEUZLPQKFZBZDM-AWEZNQCLSA-N 0 0 233.311 2.479 10 0 BEAERN CN[C@H](C)c1nscc1Br ZINC000404746031 352024526 /nfs/dbraw/zinc/02/45/26/352024526.db2.gz SMNSCGXLMJUNJN-SCSAIBSYSA-N 0 0 221.123 2.186 10 0 BEAERN CNc1ncc(C(=O)NC2CCC2)cc1Cl ZINC000052215388 187610204 /nfs/dbraw/zinc/61/02/04/187610204.db2.gz YFKQIUNPXOTNTP-UHFFFAOYSA-N 0 0 239.706 2.059 10 0 BEAERN CC1=CC[C@@H](CN=[S@@](C)(=O)N(C)C)CC1 ZINC000725270436 538102066 /nfs/dbraw/zinc/10/20/66/538102066.db2.gz LBIIBMLTSFNYTO-IAQYHMDHSA-N 0 0 230.377 2.307 10 0 BEAERN CC(F)(F)C(=O)C1=C(O)C(C)(C)CC1 ZINC000300936508 363168322 /nfs/dbraw/zinc/16/83/22/363168322.db2.gz WZTKKPWVBPXEOM-LURJTMIESA-N 0 0 204.216 2.216 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ccc(C(N)=S)cc1F ZINC000052292571 187640207 /nfs/dbraw/zinc/64/02/07/187640207.db2.gz YSMGHKKRUPKGCD-LDWIPMOCSA-N 0 0 224.304 2.280 10 0 BEAERN CC(=O)CC(=O)Nc1ccc(F)c(F)c1F ZINC000019412707 187656699 /nfs/dbraw/zinc/65/66/99/187656699.db2.gz AFPHKXDJUNEQPX-UHFFFAOYSA-N 0 0 231.173 2.022 10 0 BEAERN Cc1csc(N[C@@H]2CCOC[C@H]2C)n1 ZINC000300945301 363175458 /nfs/dbraw/zinc/17/54/58/363175458.db2.gz DYLVIRHMTCNYOU-VXNVDRBHSA-N 0 0 212.318 2.288 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ccc2c(n1)CCC2=O ZINC000309108453 187650828 /nfs/dbraw/zinc/65/08/28/187650828.db2.gz IXCGGQOZALVJOF-XCBNKYQSSA-N 0 0 202.257 2.031 10 0 BEAERN NC(=S)c1cccc(CF)c1Cl ZINC000083344076 187664467 /nfs/dbraw/zinc/66/44/67/187664467.db2.gz CJXZPHMKEQIANK-UHFFFAOYSA-N 0 0 203.669 2.444 10 0 BEAERN Cc1c2c(Br)c[nH]c2ncc1O ZINC000044712658 352384389 /nfs/dbraw/zinc/38/43/89/352384389.db2.gz ZFXZYUHKUAUDTI-UHFFFAOYSA-N 0 0 227.061 2.339 10 0 BEAERN COC(=O)c1cc(F)cc2scnc21 ZINC000044713342 352384475 /nfs/dbraw/zinc/38/44/75/352384475.db2.gz MUIRJVOHAYMGHP-UHFFFAOYSA-N 0 0 211.217 2.222 10 0 BEAERN CC(C)(n1cnnc1Cl)C(F)(F)F ZINC000307369582 352457486 /nfs/dbraw/zinc/45/74/86/352457486.db2.gz RCERUZIOVGMFMI-UHFFFAOYSA-N 0 0 213.590 2.229 10 0 BEAERN CC(C)NCc1nscc1Br ZINC000404790579 352470074 /nfs/dbraw/zinc/47/00/74/352470074.db2.gz DTMKMYDQCMVSJY-UHFFFAOYSA-N 0 0 235.150 2.404 10 0 BEAERN CN[C@H](c1csc(C)n1)C1=CCCO1 ZINC000168380589 352480215 /nfs/dbraw/zinc/48/02/15/352480215.db2.gz WWUHJCGSDKNCNJ-SNVBAGLBSA-N 0 0 210.302 2.016 10 0 BEAERN CC(C)C(=O)N[C@H]1CCc2c1cccc2N ZINC000725271739 538103647 /nfs/dbraw/zinc/10/36/47/538103647.db2.gz RROONEOQZZAISP-LBPRGKRZSA-N 0 0 218.300 2.028 10 0 BEAERN C[C@@H](c1nnc(C2CC2)[nH]1)C(C)(F)F ZINC000307388107 352547380 /nfs/dbraw/zinc/54/73/80/352547380.db2.gz GIWGZQQBTPHWSK-YFKPBYRVSA-N 0 0 201.220 2.441 10 0 BEAERN O=C1C[C@H](C(F)F)N(Cc2ccccc2)C1 ZINC000725272513 538104167 /nfs/dbraw/zinc/10/41/67/538104167.db2.gz NWUBZLHEXOEPRA-LLVKDONJSA-N 0 0 225.238 2.095 10 0 BEAERN CCOC(=O)c1c(C=O)ccc(Cl)c1C#N ZINC000396168010 352551705 /nfs/dbraw/zinc/55/17/05/352551705.db2.gz WZLZGGKNXCDRAX-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)C(C)(C)O ZINC000300038037 352553252 /nfs/dbraw/zinc/55/32/52/352553252.db2.gz IOETYWYCJVNEJD-VWYCJHECSA-N 0 0 200.322 2.335 10 0 BEAERN C[C@@H](O)[C@H](O)c1cccc(Br)c1F ZINC000300063119 352553691 /nfs/dbraw/zinc/55/36/91/352553691.db2.gz RDRYCQHDILJTET-ANLVUFKYSA-N 0 0 249.079 2.002 10 0 BEAERN C[C@@H]1C[C@@H]1CN(C)c1cnnc(Cl)c1 ZINC000229121164 352590414 /nfs/dbraw/zinc/59/04/14/352590414.db2.gz SYXGKUVPTQZIEW-HTQZYQBOSA-N 0 0 211.696 2.222 10 0 BEAERN O=C(c1ccc(Br)cc1F)N1CC1 ZINC000307425101 352592672 /nfs/dbraw/zinc/59/26/72/352592672.db2.gz OINCBABATSDDGO-UHFFFAOYSA-N 0 0 244.063 2.044 10 0 BEAERN CC(C)(n1cc[nH]c1=S)C(F)(F)F ZINC000307433091 352595319 /nfs/dbraw/zinc/59/53/19/352595319.db2.gz NTEWFBGLLWFKKG-UHFFFAOYSA-N 0 0 210.224 2.469 10 0 BEAERN CC1(C)SC[C@H]1Nc1nsnc1Cl ZINC000307447641 352603197 /nfs/dbraw/zinc/60/31/97/352603197.db2.gz YCCTZEGFGFUJKE-SCSAIBSYSA-N 0 0 235.765 2.497 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCn2nccc21 ZINC000335795003 133910024 /nfs/dbraw/zinc/91/00/24/133910024.db2.gz QKUJINAQHQAVJL-GHMZBOCLSA-N 0 0 233.315 2.056 10 0 BEAERN C[C@@H]1C[C@H]1CN(C)C(=O)NCc1ccccc1 ZINC000232303356 352610340 /nfs/dbraw/zinc/61/03/40/352610340.db2.gz KFKASGIIPWWIRI-YPMHNXCESA-N 0 0 232.327 2.484 10 0 BEAERN C[C@H]1C[C@@H]1CN(C)C(=O)NCc1ccccc1 ZINC000232303354 352610417 /nfs/dbraw/zinc/61/04/17/352610417.db2.gz KFKASGIIPWWIRI-WCQYABFASA-N 0 0 232.327 2.484 10 0 BEAERN CC(C)c1c[nH]c(=O)n1Cc1ccccc1 ZINC000232308834 352614743 /nfs/dbraw/zinc/61/47/43/352614743.db2.gz URTFINYPWKNCBI-UHFFFAOYSA-N 0 0 216.284 2.348 10 0 BEAERN COc1cc(C(=O)C2CCC2)c(F)cn1 ZINC000307393242 352569079 /nfs/dbraw/zinc/56/90/79/352569079.db2.gz AHQQZWPVILMMQO-UHFFFAOYSA-N 0 0 209.220 2.212 10 0 BEAERN Clc1cnc(N[C@H]2CCSC2)cn1 ZINC000307395552 352570532 /nfs/dbraw/zinc/57/05/32/352570532.db2.gz POKZZVLXHYCNII-LURJTMIESA-N 0 0 215.709 2.047 10 0 BEAERN Cc1cccc(NCCC2OCCO2)c1 ZINC000307399480 352572261 /nfs/dbraw/zinc/57/22/61/352572261.db2.gz WURYAYWVFKLADR-UHFFFAOYSA-N 0 0 207.273 2.170 10 0 BEAERN FC1(F)CC[C@@H](c2nc(Cl)n[nH]2)C1 ZINC000300847575 352576838 /nfs/dbraw/zinc/57/68/38/352576838.db2.gz HKYOIOXDGPFFND-SCSAIBSYSA-N 0 0 207.611 2.361 10 0 BEAERN CCc1nc([C@H]2N[C@H](C)CS2)cs1 ZINC000307533486 352639235 /nfs/dbraw/zinc/63/92/35/352639235.db2.gz ORJXQTDFGNRWCE-MUWHJKNJSA-N 0 0 214.359 2.429 10 0 BEAERN O=C(Cc1csnn1)c1ccnc(Cl)c1 ZINC000307534559 352640338 /nfs/dbraw/zinc/64/03/38/352640338.db2.gz NWMVIATUFVHQTC-UHFFFAOYSA-N 0 0 239.687 2.012 10 0 BEAERN COc1ccc(Cl)c(N[C@H](C)CO)c1 ZINC000307534843 352640801 /nfs/dbraw/zinc/64/08/01/352640801.db2.gz JJBOPBOGZFPTJC-SSDOTTSWSA-N 0 0 215.680 2.141 10 0 BEAERN O=C(N[C@@H]1CC12CCCCC2)n1ccnc1 ZINC000307557207 352650374 /nfs/dbraw/zinc/65/03/74/352650374.db2.gz BEPQFBVYNKPETE-SNVBAGLBSA-N 0 0 219.288 2.164 10 0 BEAERN FC(F)c1cc(Cl)n([C@H]2CCOC2)n1 ZINC000307562363 352650923 /nfs/dbraw/zinc/65/09/23/352650923.db2.gz KRKHHYFUZKGJKN-YFKPBYRVSA-N 0 0 222.622 2.436 10 0 BEAERN Cc1cc(N)c(N2CCCC2=O)c(Cl)c1 ZINC000725273722 538104809 /nfs/dbraw/zinc/10/48/09/538104809.db2.gz XSXOZOHUKGEBDH-UHFFFAOYSA-N 0 0 224.691 2.357 10 0 BEAERN O[C@@H](c1cc[nH]c1)[C@@H]1CCCC1(F)F ZINC000307589141 352661473 /nfs/dbraw/zinc/66/14/73/352661473.db2.gz ZOLBDPADRLBWKL-IUCAKERBSA-N 0 0 201.216 2.484 10 0 BEAERN Cc1cnc([C@@H]2N[C@H](C)CS2)s1 ZINC000307595161 352665298 /nfs/dbraw/zinc/66/52/98/352665298.db2.gz JXGSQSNTMUNONR-SVGQVSJJSA-N 0 0 200.332 2.175 10 0 BEAERN OCc1cc(Br)ccc1N1CCC1 ZINC000307614683 352672510 /nfs/dbraw/zinc/67/25/10/352672510.db2.gz LIDYXSFRSUTZDV-UHFFFAOYSA-N 0 0 242.116 2.152 10 0 BEAERN O=Cc1cncn1[C@@H]1CCC(F)(F)C1 ZINC000307503203 352630288 /nfs/dbraw/zinc/63/02/88/352630288.db2.gz WXMZEWNKHKGKAP-SSDOTTSWSA-N 0 0 200.188 2.056 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC(C(N)=O)CC1 ZINC000335805905 133915660 /nfs/dbraw/zinc/91/56/60/133915660.db2.gz XGSAQLQZJMAOMG-MWLCHTKSSA-N 0 0 238.331 2.196 10 0 BEAERN Nc1nnc([C@@H]2CC3CCC2CC3)s1 ZINC000307627946 352706634 /nfs/dbraw/zinc/70/66/34/352706634.db2.gz JTMZLUKHWUURRF-KAVNDROISA-N 0 0 209.318 2.414 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000307617249 352673242 /nfs/dbraw/zinc/67/32/42/352673242.db2.gz VJXNENZPBBDXIY-QMMMGPOBSA-N 0 0 201.697 2.434 10 0 BEAERN CC[C@]1(C)C(=O)N[C@H]1C1(SC)CCC1 ZINC000307617369 352673593 /nfs/dbraw/zinc/67/35/93/352673593.db2.gz VVEYSTUCLBRAPE-SCZZXKLOSA-N 0 0 213.346 2.187 10 0 BEAERN O[C@H](c1sccc1F)c1cccnc1 ZINC000307615144 352675186 /nfs/dbraw/zinc/67/51/86/352675186.db2.gz POVBFTHXQPNOHF-VIFPVBQESA-N 0 0 209.245 2.364 10 0 BEAERN Cn1nc(-c2c(F)cccc2Cl)cc1N ZINC000036938270 180798842 /nfs/dbraw/zinc/79/88/42/180798842.db2.gz YGUHXCWNHBLCAP-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN C1C[C@H](N2CCO[C@@H](C3CCCCC3)C2)CO1 ZINC000334232824 352850821 /nfs/dbraw/zinc/85/08/21/352850821.db2.gz NNLQBTQVMNFOGX-UONOGXRCSA-N 0 0 239.359 2.056 10 0 BEAERN C1C[C@@H](N2CCO[C@H](C3CCCCC3)C2)CO1 ZINC000334232823 352851034 /nfs/dbraw/zinc/85/10/34/352851034.db2.gz NNLQBTQVMNFOGX-KGLIPLIRSA-N 0 0 239.359 2.056 10 0 BEAERN Clc1nnc(NCc2cncs2)s1 ZINC000307688971 352924590 /nfs/dbraw/zinc/92/45/90/352924590.db2.gz MOCPHSADNQJJBC-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN CCCCCC[C@H]([C@@H](C)O)n1cnnc1 ZINC000003814310 168680531 /nfs/dbraw/zinc/68/05/31/168680531.db2.gz DXYLKUYBUZJUSZ-GHMZBOCLSA-N 0 0 211.309 2.170 10 0 BEAERN CC(C)(C)[C@H](O)[C@H](O)c1ccsc1 ZINC000232510390 352976539 /nfs/dbraw/zinc/97/65/39/352976539.db2.gz NNVRAZIUFGFMLN-RKDXNWHRSA-N 0 0 200.303 2.189 10 0 BEAERN CCc1nccn1-c1cc(C)nc(Cl)n1 ZINC000052815135 352983238 /nfs/dbraw/zinc/98/32/38/352983238.db2.gz FKEBZMZZDIDBSM-UHFFFAOYSA-N 0 0 222.679 2.187 10 0 BEAERN CC(C)(C)CCS(=O)(=O)N1C[C@H]2CCC[C@@H]21 ZINC000334302989 352939083 /nfs/dbraw/zinc/93/90/83/352939083.db2.gz AVRXRGSKEARGKW-MNOVXSKESA-N 0 0 245.388 2.237 10 0 BEAERN Cc1ccsc1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000295974832 187922387 /nfs/dbraw/zinc/92/23/87/187922387.db2.gz IIDBLQTZLVAQEA-ZJUUUORDSA-N 0 0 239.340 2.042 10 0 BEAERN C[C@@H](NOCc1ccccc1)c1cn[nH]c1 ZINC000307696207 352964108 /nfs/dbraw/zinc/96/41/08/352964108.db2.gz KAAKBIRJPAGSQF-SNVBAGLBSA-N 0 0 217.272 2.192 10 0 BEAERN Cn1ncc2nc(Cl)cc(Br)c21 ZINC000306509019 353020507 /nfs/dbraw/zinc/02/05/07/353020507.db2.gz BAJFALUEJVZOCI-UHFFFAOYSA-N 0 0 246.495 2.384 10 0 BEAERN F[C@H]1CCC[C@H]1Nc1cncc(Cl)n1 ZINC000306599447 353029144 /nfs/dbraw/zinc/02/91/44/353029144.db2.gz HIYYPUBVTIDNON-NKWVEPMBSA-N 0 0 215.659 2.433 10 0 BEAERN CC[S@](C)(=O)=Nc1cc(F)ccc1N ZINC000306598885 353029229 /nfs/dbraw/zinc/02/92/29/353029229.db2.gz GRHZYEVLZSPTID-AWEZNQCLSA-N 0 0 216.281 2.157 10 0 BEAERN Cc1ccc(NCCC(N)=S)cc1C ZINC000041218049 187945314 /nfs/dbraw/zinc/94/53/14/187945314.db2.gz MEQYUKMQISTULW-UHFFFAOYSA-N 0 0 208.330 2.392 10 0 BEAERN CCNc1cccc(N2CCOC2=O)c1 ZINC000037087173 187932782 /nfs/dbraw/zinc/93/27/82/187932782.db2.gz QGSBFLUHJMENFM-UHFFFAOYSA-N 0 0 206.245 2.075 10 0 BEAERN COc1cc(N)c(F)cc1C(F)(F)F ZINC000306709596 353036148 /nfs/dbraw/zinc/03/61/48/353036148.db2.gz VIBZZWHWBSGZSP-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN C[C@]1([C@H]2CC(=O)CCO2)CCCS1 ZINC000306704936 353036207 /nfs/dbraw/zinc/03/62/07/353036207.db2.gz CSKGNJWIMXQSNR-NXEZZACHSA-N 0 0 200.303 2.020 10 0 BEAERN NCc1ncc(-c2coc(Br)c2)o1 ZINC000306702350 353036239 /nfs/dbraw/zinc/03/62/39/353036239.db2.gz AEMXDGDEOLZXKG-UHFFFAOYSA-N 0 0 243.060 2.156 10 0 BEAERN COc1c(F)c(F)cc(F)c1C(C)=O ZINC000307162364 353058720 /nfs/dbraw/zinc/05/87/20/353058720.db2.gz HXYLCQCHGPAGFH-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN Ic1cc2c[nH]ccc-2n1 ZINC000307225968 353061849 /nfs/dbraw/zinc/06/18/49/353061849.db2.gz FFGQJWSUNLXRCE-UHFFFAOYSA-N 0 0 244.035 2.119 10 0 BEAERN CC(C)c1cnc(Br)cn1 ZINC000044117275 187950562 /nfs/dbraw/zinc/95/05/62/187950562.db2.gz AIFGYPOEHKFCMK-UHFFFAOYSA-N 0 0 201.067 2.363 10 0 BEAERN CC(C)(C)Oc1cnc(N)c(OC2CC2)c1 ZINC000095721267 187974410 /nfs/dbraw/zinc/97/44/10/187974410.db2.gz PCCBFFBCAWKZPB-UHFFFAOYSA-N 0 0 222.288 2.382 10 0 BEAERN COC1CN(Cc2nc(Cl)ccc2Cl)C1 ZINC000306805684 353039855 /nfs/dbraw/zinc/03/98/55/353039855.db2.gz ICUMMWAAZMUQMK-UHFFFAOYSA-N 0 0 247.125 2.219 10 0 BEAERN C[C@@H]1CSC[C@@H]1n1ncc(Cl)c1N ZINC000306866238 353042675 /nfs/dbraw/zinc/04/26/75/353042675.db2.gz NHVQQWUMXBJBPS-VDTYLAMSSA-N 0 0 217.725 2.043 10 0 BEAERN C[C@H]1SCC[C@@H]1Nc1cc(N)ns1 ZINC000306901985 353044246 /nfs/dbraw/zinc/04/42/46/353044246.db2.gz PJSIOASMORBTFU-RITPCOANSA-N 0 0 215.347 2.031 10 0 BEAERN Brc1nccc([C@H]2CCCOC2)n1 ZINC000072193084 187960659 /nfs/dbraw/zinc/96/06/59/187960659.db2.gz VGYMLDDDVCJQDK-ZETCQYMHSA-N 0 0 243.104 2.133 10 0 BEAERN COc1cnc(-c2coc(C)n2)nc1Cl ZINC000306932320 353046082 /nfs/dbraw/zinc/04/60/82/353046082.db2.gz DPGVIMJXJMZTOO-UHFFFAOYSA-N 0 0 225.635 2.102 10 0 BEAERN Nc1ncc(Cl)cc1-c1ccns1 ZINC000306948159 353046368 /nfs/dbraw/zinc/04/63/68/353046368.db2.gz RUJXOIPDODXTBE-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN O=Cc1c(F)cc(F)cc1OC(F)F ZINC000306943817 353046524 /nfs/dbraw/zinc/04/65/24/353046524.db2.gz WJQHWUUZUNIZNH-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN CCOc1ccccc1-c1ccnc(NC#N)n1 ZINC000072448768 187961935 /nfs/dbraw/zinc/96/19/35/187961935.db2.gz DMLOVPCZBXCXGX-UHFFFAOYSA-N 0 0 240.266 2.435 10 0 BEAERN C[C@@H]1SCC[C@H]1Nc1nsnc1Cl ZINC000307092294 353053872 /nfs/dbraw/zinc/05/38/72/353053872.db2.gz YZQUBNXEYAHAKV-CRCLSJGQSA-N 0 0 235.765 2.497 10 0 BEAERN Cc1ncsc1C(=O)c1ccns1 ZINC000307094520 353053941 /nfs/dbraw/zinc/05/39/41/353053941.db2.gz SWLOELBJMYXJSL-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN Nc1c(F)ccc(OC(F)(F)F)c1O ZINC000307092640 353053978 /nfs/dbraw/zinc/05/39/78/353053978.db2.gz ZENAIKOFWJEVGQ-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN NC(=O)c1c(F)cc(C(F)F)cc1F ZINC000307088009 353054138 /nfs/dbraw/zinc/05/41/38/353054138.db2.gz LZSJYHHPDGXASS-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN CC(C)COCc1cccc(C(N)=S)c1 ZINC000019434797 188002456 /nfs/dbraw/zinc/00/24/56/188002456.db2.gz JIIDHHFMGSHORI-UHFFFAOYSA-N 0 0 223.341 2.493 10 0 BEAERN CC(=O)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000019410868 188002821 /nfs/dbraw/zinc/00/28/21/188002821.db2.gz QEWBFGXTKOFMGS-NSHDSACASA-N 0 0 219.284 2.185 10 0 BEAERN C[C@@H]1CCN(c2cc(N)ns2)CCS1 ZINC000307601644 353086847 /nfs/dbraw/zinc/08/68/47/353086847.db2.gz VEFOQIIPZFZSFC-SSDOTTSWSA-N 0 0 229.374 2.057 10 0 BEAERN CC(F)(F)CC(=O)Nc1cncc(Cl)n1 ZINC000307618761 353087963 /nfs/dbraw/zinc/08/79/63/353087963.db2.gz UMGXWRRKSWJPGS-UHFFFAOYSA-N 0 0 235.621 2.114 10 0 BEAERN CC(C)COc1cncc(N[C@@H]2C[C@H]2C)n1 ZINC000301539300 187989696 /nfs/dbraw/zinc/98/96/96/187989696.db2.gz BNDJEZQIILPUQZ-NXEZZACHSA-N 0 0 221.304 2.332 10 0 BEAERN CC(C)[C@H](O)CC(=O)N[C@@H](C)c1cccs1 ZINC000178864866 187995792 /nfs/dbraw/zinc/99/57/92/187995792.db2.gz UYJOLJLTBNQUBW-VHSXEESVSA-N 0 0 241.356 2.332 10 0 BEAERN Cc1ccc2c(c1)O[C@@]1(CCOC1)CC2=O ZINC000536954918 323964112 /nfs/dbraw/zinc/96/41/12/323964112.db2.gz NMEJGMYEEFPMTC-ZDUSSCGKSA-N 0 0 218.252 2.119 10 0 BEAERN CC(=O)c1nc(Br)sc1C ZINC000200560255 188007960 /nfs/dbraw/zinc/00/79/60/188007960.db2.gz OBLRYUORPVWFAI-UHFFFAOYSA-N 0 0 220.091 2.417 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1cccc(O)c1 ZINC000140429368 353124897 /nfs/dbraw/zinc/12/48/97/353124897.db2.gz YANMSKHDZCCRIX-MNOVXSKESA-N 0 0 206.241 2.059 10 0 BEAERN CC1(C)C[C@H]1NC(=O)[C@H]1CC1(Cl)Cl ZINC000307744998 353125397 /nfs/dbraw/zinc/12/53/97/353125397.db2.gz QGONWYIOGMDXCQ-PHDIDXHHSA-N 0 0 222.115 2.095 10 0 BEAERN CCNC(=O)c1c(C)oc(C)c1Br ZINC000307745130 353125657 /nfs/dbraw/zinc/12/56/57/353125657.db2.gz QTOADEWCCGUFLS-UHFFFAOYSA-N 0 0 246.104 2.409 10 0 BEAERN C[C@H](Nc1cncc(Cl)n1)c1ncc[nH]1 ZINC000229339913 353126310 /nfs/dbraw/zinc/12/63/10/353126310.db2.gz YRTVMHPGSZRIEF-LURJTMIESA-N 0 0 223.667 2.026 10 0 BEAERN CC(C)c1ccn(-c2cc(Cl)ncn2)n1 ZINC000052884958 353127329 /nfs/dbraw/zinc/12/73/29/353127329.db2.gz FAUPUMRSAXYPKN-UHFFFAOYSA-N 0 0 222.679 2.439 10 0 BEAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 ZINC000112670868 188015696 /nfs/dbraw/zinc/01/56/96/188015696.db2.gz WAKIRYCUPWDYAE-VXGBXAGGSA-N 0 0 235.331 2.354 10 0 BEAERN CC1CC(Nc2cnc(Br)cn2)C1 ZINC000307751686 353128456 /nfs/dbraw/zinc/12/84/56/353128456.db2.gz OXMHYIQPJUAZQO-UHFFFAOYSA-N 0 0 242.120 2.450 10 0 BEAERN CC(=O)N[C@H](C)c1cn(C)c2ccccc12 ZINC000096675514 188017415 /nfs/dbraw/zinc/01/74/15/188017415.db2.gz SJFPOLULXKFICM-SECBINFHSA-N 0 0 216.284 2.375 10 0 BEAERN CC(=O)SCC[C@H]1CCCCN1C(C)=O ZINC000238852614 188019940 /nfs/dbraw/zinc/01/99/40/188019940.db2.gz GOPQOVWBOBOLSX-LLVKDONJSA-N 0 0 229.345 2.057 10 0 BEAERN Brc1cc(CN2CC[C@H]3C[C@H]32)on1 ZINC000307760753 353130589 /nfs/dbraw/zinc/13/05/89/353130589.db2.gz WVIRYJJJPLCVPA-POYBYMJQSA-N 0 0 243.104 2.031 10 0 BEAERN CCC(=O)Nc1nc(F)ccc1Cl ZINC000307761196 353131989 /nfs/dbraw/zinc/13/19/89/353131989.db2.gz YMCTZLCGNFUJPK-UHFFFAOYSA-N 0 0 202.616 2.223 10 0 BEAERN CC(C)(O)[C@@H](O)c1cccc(Cl)c1 ZINC000232567574 353134473 /nfs/dbraw/zinc/13/44/73/353134473.db2.gz SHTXAGIOWXJPLG-VIFPVBQESA-N 0 0 200.665 2.144 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccnc(F)c1F ZINC000164092608 188042571 /nfs/dbraw/zinc/04/25/71/188042571.db2.gz IILONENDBQMXNX-ZETCQYMHSA-N 0 0 228.242 2.134 10 0 BEAERN Cn1c(Br)cc2cnccc21 ZINC000082373783 188004069 /nfs/dbraw/zinc/00/40/69/188004069.db2.gz CQDQPULVEKGLFQ-UHFFFAOYSA-N 0 0 211.062 2.336 10 0 BEAERN CC(C)C1CC(O)(Cc2nccs2)C1 ZINC000232542381 353121733 /nfs/dbraw/zinc/12/17/33/353121733.db2.gz HIQJDCAKWVVQSW-UHFFFAOYSA-N 0 0 211.330 2.483 10 0 BEAERN COc1ccc(C(=O)[C@@H]2CCCO2)s1 ZINC000307735177 353121754 /nfs/dbraw/zinc/12/17/54/353121754.db2.gz QFSWWJZDCOYBBD-ZETCQYMHSA-N 0 0 212.270 2.118 10 0 BEAERN C/C=C/CCNc1nnnn1-c1ccccc1 ZINC000134666075 188049350 /nfs/dbraw/zinc/04/93/50/188049350.db2.gz DBHOFYHGCUNQBA-NSCUHMNNSA-N 0 0 229.287 2.040 10 0 BEAERN Cc1ccc(C)c2c1OC[C@](O)(C(C)C)O2 ZINC000536956178 323967231 /nfs/dbraw/zinc/96/72/31/323967231.db2.gz UZKUKWISXGTDEM-CYBMUJFWSA-N 0 0 222.284 2.419 10 0 BEAERN C[C@@H](NC(=O)NC[C@@H](C)C[C@H](C)O)C(C)(C)C ZINC000246867220 538109877 /nfs/dbraw/zinc/10/98/77/538109877.db2.gz BCFABRSHONZZJQ-GARJFASQSA-N 0 0 244.379 2.127 10 0 BEAERN CCOC(OCC)[C@H]1C[C@H](C)CCC1=O ZINC000121995769 538110300 /nfs/dbraw/zinc/11/03/00/538110300.db2.gz ULDPLXGGGQASCW-ZJUUUORDSA-N 0 0 214.305 2.391 10 0 BEAERN COC(OC)[C@@H](C)C(=O)c1cccs1 ZINC000121991856 538110305 /nfs/dbraw/zinc/11/03/05/538110305.db2.gz QOXRKKQAZTVCIN-ZETCQYMHSA-N 0 0 214.286 2.186 10 0 BEAERN CCc1ccccc1[C@@H](O)c1cn[nH]c1 ZINC000309093335 538110357 /nfs/dbraw/zinc/11/03/57/538110357.db2.gz FRXPRVWYEGXZKR-LBPRGKRZSA-N 0 0 202.257 2.054 10 0 BEAERN CCOC(CC(=O)C1(C)CC1)OCC ZINC000122016420 538110358 /nfs/dbraw/zinc/11/03/58/538110358.db2.gz GENUVTZECFLLKF-UHFFFAOYSA-N 0 0 200.278 2.145 10 0 BEAERN CCOC(=O)c1nc([C@H]2C[C@H]2C)ncc1C ZINC000300852970 538111071 /nfs/dbraw/zinc/11/10/71/538111071.db2.gz BJPQZRPYSYZLHS-APPZFPTMSA-N 0 0 220.272 2.085 10 0 BEAERN FC(F)(F)CNC[C@@H]1Cc2ccccc2O1 ZINC000037973985 180883276 /nfs/dbraw/zinc/88/32/76/180883276.db2.gz OWSHACIDNCATLX-VIFPVBQESA-N 0 0 231.217 2.142 10 0 BEAERN FC(F)(F)Sc1cncc(=S)[nH]1 ZINC000096308624 180889313 /nfs/dbraw/zinc/88/93/13/180889313.db2.gz FKKYXLYSVQOWSQ-UHFFFAOYSA-N 0 0 212.221 2.377 10 0 BEAERN FC(F)(F)[C@H]1Cc2ccccc2CN1 ZINC000013517753 180891125 /nfs/dbraw/zinc/89/11/25/180891125.db2.gz ZKDBUNWBYCZLQF-SECBINFHSA-N 0 0 201.191 2.263 10 0 BEAERN C[C@@H]1CN[C@H](c2cscn2)SC1 ZINC000126792285 353254822 /nfs/dbraw/zinc/25/48/22/353254822.db2.gz QMEMKJHWKDQQJB-SVRRBLITSA-N 0 0 200.332 2.114 10 0 BEAERN Cc1cccc(-c2nn(C)c(=S)[nH]2)c1 ZINC000127748967 353272162 /nfs/dbraw/zinc/27/21/62/353272162.db2.gz JHTQTRVMKOPKEN-UHFFFAOYSA-N 0 0 205.286 2.079 10 0 BEAERN Nc1ccc(S[C@@H]2CCSC2)cn1 ZINC000405368782 353272637 /nfs/dbraw/zinc/27/26/37/353272637.db2.gz XXTWTZSOWAMUGX-MRVPVSSYSA-N 0 0 212.343 2.092 10 0 BEAERN Clc1ccnc(C[C@H]2CCCCO2)n1 ZINC000127862252 353274447 /nfs/dbraw/zinc/27/44/47/353274447.db2.gz BZANGDZJTRTALO-MRVPVSSYSA-N 0 0 212.680 2.242 10 0 BEAERN Nc1cnccc1S[C@@H]1CCSC1 ZINC000405341489 353264415 /nfs/dbraw/zinc/26/44/15/353264415.db2.gz ILRALEFXQHSYII-SSDOTTSWSA-N 0 0 212.343 2.261 10 0 BEAERN O=C1NCCCN1c1ccc(Cl)cc1 ZINC000032180094 353283741 /nfs/dbraw/zinc/28/37/41/353283741.db2.gz SFPPEPCOGJSMRX-UHFFFAOYSA-N 0 0 210.664 2.260 10 0 BEAERN CC(=O)NCc1ccccc1OC1CCC1 ZINC000118264677 188247457 /nfs/dbraw/zinc/24/74/57/188247457.db2.gz LYICBEGEOMVERL-UHFFFAOYSA-N 0 0 219.284 2.254 10 0 BEAERN CCCc1cnc(NCc2cncnc2)s1 ZINC000134994440 538114393 /nfs/dbraw/zinc/11/43/93/538114393.db2.gz KCZDGIWCTBBRMN-UHFFFAOYSA-N 0 0 234.328 2.498 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121315852 188249814 /nfs/dbraw/zinc/24/98/14/188249814.db2.gz DRAPOFCPEGXNNV-DCAQKATOSA-N 0 0 213.321 2.105 10 0 BEAERN CC(=O)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000041531596 188257930 /nfs/dbraw/zinc/25/79/30/188257930.db2.gz YNSMQHRGEZYEEO-CQSZACIVSA-N 0 0 244.269 2.446 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)/C=C/c1ccccc1 ZINC000268582909 188261604 /nfs/dbraw/zinc/26/16/04/188261604.db2.gz DZJUIUHLDVARFH-WTNCMQEWSA-N 0 0 247.338 2.223 10 0 BEAERN O=Cc1cnc(C[C@H]2CCCCO2)s1 ZINC000129043305 353308394 /nfs/dbraw/zinc/30/83/94/353308394.db2.gz LXQPFOTZCSIARW-MRVPVSSYSA-N 0 0 211.286 2.067 10 0 BEAERN Cc1nc2nc(Cl)c(C)c(Cl)n2n1 ZINC000129053434 353308442 /nfs/dbraw/zinc/30/84/42/353308442.db2.gz SMTYRHFHMUGTQP-UHFFFAOYSA-N 0 0 217.059 2.048 10 0 BEAERN CC(=O)O[C@H](C)CC(=O)c1ccccc1 ZINC000036438763 188278532 /nfs/dbraw/zinc/27/85/32/188278532.db2.gz MPODLFKNAJBQES-SECBINFHSA-N 0 0 206.241 2.211 10 0 BEAERN Nc1ccc(SC[C@@H]2CCCCO2)nc1 ZINC000037191630 188280136 /nfs/dbraw/zinc/28/01/36/188280136.db2.gz DDPNPZVRHUGIAG-JTQLQIEISA-N 0 0 224.329 2.325 10 0 BEAERN Nc1ccc(SC[C@@H]2CCCCO2)cn1 ZINC000037192446 188280157 /nfs/dbraw/zinc/28/01/57/188280157.db2.gz ZTCUGKPEUARJOJ-VIFPVBQESA-N 0 0 224.329 2.325 10 0 BEAERN NC(=S)c1ccc(NCc2ccccc2)nc1 ZINC000019434685 188280515 /nfs/dbraw/zinc/28/05/15/188280515.db2.gz KWNNRWZTNHDCAD-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN C[C@H]1C[C@@H](C(=O)N(C)C)c2ccccc2N1 ZINC000019424957 188281084 /nfs/dbraw/zinc/28/10/84/188281084.db2.gz SUVQDNAMVHVFHK-GXSJLCMTSA-N 0 0 218.300 2.063 10 0 BEAERN Cc1ccc(N)c(C)c1NC(=O)[C@@H]1C[C@H]1C ZINC000019435042 188281210 /nfs/dbraw/zinc/28/12/10/188281210.db2.gz FQSFFKOYGDAYGI-PSASIEDQSA-N 0 0 218.300 2.480 10 0 BEAERN O=C1NC(=O)c2cc(NC3CCCCC3)ccc21 ZINC000019966511 188282087 /nfs/dbraw/zinc/28/20/87/188282087.db2.gz TUVATDKGRAZRRI-UHFFFAOYSA-N 0 0 244.294 2.315 10 0 BEAERN CCC1C(C)=NC(=O)N[C@H]1c1ccccn1 ZINC000039101980 188282804 /nfs/dbraw/zinc/28/28/04/188282804.db2.gz MBYIWISHAVXXIE-LLVKDONJSA-N 0 0 217.272 2.120 10 0 BEAERN CCOC(=O)/C=C/c1ccc(C(=O)OC)cc1 ZINC000034570363 188284789 /nfs/dbraw/zinc/28/47/89/188284789.db2.gz UAXXPGHZSHMJEM-RMKNXTFCSA-N 0 0 234.251 2.050 10 0 BEAERN Cc1cc(C)n(-c2ccc(CO)cc2F)n1 ZINC000034956860 188285150 /nfs/dbraw/zinc/28/51/50/188285150.db2.gz NMGDPIAUYJXZHX-UHFFFAOYSA-N 0 0 220.247 2.121 10 0 BEAERN Cc1occc1C(=O)Cc1ccccn1 ZINC000034940344 188285422 /nfs/dbraw/zinc/28/54/22/188285422.db2.gz AKSIKRMQOZNZFZ-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(CC(N)=O)cc1 ZINC000037074909 188286195 /nfs/dbraw/zinc/28/61/95/188286195.db2.gz PXYWSCNJJNAPTF-JTQLQIEISA-N 0 0 220.316 2.171 10 0 BEAERN COc1ccc(Cc2csc(N)n2)cc1 ZINC000037066122 188286365 /nfs/dbraw/zinc/28/63/65/188286365.db2.gz QAAAWBARJAZCRM-UHFFFAOYSA-N 0 0 220.297 2.325 10 0 BEAERN COc1c(C)c(Br)c(C=O)cc1O ZINC000038977446 188290614 /nfs/dbraw/zinc/29/06/14/188290614.db2.gz QCPQJMMBAKZETR-UHFFFAOYSA-N 0 0 245.072 2.284 10 0 BEAERN COc1ccc(N)cc1C[S@@](=O)C(C)(C)C ZINC000040966390 188292919 /nfs/dbraw/zinc/29/29/19/188292919.db2.gz GHXHULBIFRCZCO-INIZCTEOSA-N 0 0 241.356 2.325 10 0 BEAERN CNc1ncnc(Nc2cccc(C)c2C)c1N ZINC000040706889 188293093 /nfs/dbraw/zinc/29/30/93/188293093.db2.gz COQSCNPKWSSOLX-UHFFFAOYSA-N 0 0 243.314 2.461 10 0 BEAERN CC(C)N(CCCO)c1ccc(C=O)cc1F ZINC000042509983 188293691 /nfs/dbraw/zinc/29/36/91/188293691.db2.gz UISSZINCOJGSMQ-UHFFFAOYSA-N 0 0 239.290 2.235 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@H+](Cc1ccco1)C1CC1 ZINC000042693088 188294644 /nfs/dbraw/zinc/29/46/44/188294644.db2.gz WPAQOWHTYAMAKG-GFCCVEGCSA-N 0 0 237.299 2.353 10 0 BEAERN CC(=O)N(c1ccccc1)c1ncccc1N ZINC000039407284 188296219 /nfs/dbraw/zinc/29/62/19/188296219.db2.gz IAJDOLUSMKZZLJ-UHFFFAOYSA-N 0 0 227.267 2.348 10 0 BEAERN C[NH+](C)CCOCCCc1ccccc1 ZINC000084651944 188297722 /nfs/dbraw/zinc/29/77/22/188297722.db2.gz DDJTXPIRRXUKAD-UHFFFAOYSA-N 0 0 207.317 2.197 10 0 BEAERN CC(C)(C)c1c(CO)nnn1-c1ccccc1F ZINC000045892523 188297865 /nfs/dbraw/zinc/29/78/65/188297865.db2.gz PQLRYWDMZODGJJ-UHFFFAOYSA-N 0 0 249.289 2.196 10 0 BEAERN Cc1ccc(OCCn2cccn2)c([C@@H](C)O)c1 ZINC000049325602 188298533 /nfs/dbraw/zinc/29/85/33/188298533.db2.gz WJPQIDYWBHBYGF-GFCCVEGCSA-N 0 0 246.310 2.324 10 0 BEAERN Cc1nc(Br)n2ccccc12 ZINC000075842561 188308346 /nfs/dbraw/zinc/30/83/46/188308346.db2.gz FKXJTVGNBGRQFL-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN CC1(C)Cc2c(Cl)cccc2C(=O)N1 ZINC000057496027 188301363 /nfs/dbraw/zinc/30/13/63/188301363.db2.gz XMYVUZLBHNQOHF-UHFFFAOYSA-N 0 0 209.676 2.405 10 0 BEAERN CCCNc1ccc(C(=O)Nc2cnoc2)cn1 ZINC000061685979 188302244 /nfs/dbraw/zinc/30/22/44/188302244.db2.gz BXPCNGFETBFAPH-UHFFFAOYSA-N 0 0 246.270 2.144 10 0 BEAERN CC(C)N(C)C(=O)c1cc2cccc(N)c2[nH]1 ZINC000062833587 188303218 /nfs/dbraw/zinc/30/32/18/188303218.db2.gz HZRIOJRJFUNBCJ-UHFFFAOYSA-N 0 0 231.299 2.231 10 0 BEAERN CC(C)(C)c1cccc(OCCC(=O)CO)c1 ZINC000071547194 188306361 /nfs/dbraw/zinc/30/63/61/188306361.db2.gz WVHQNRJTNJUDSF-UHFFFAOYSA-N 0 0 236.311 2.314 10 0 BEAERN CC(C)Cc1ccc2ncc(C=O)n2c1 ZINC000074210556 188307199 /nfs/dbraw/zinc/30/71/99/188307199.db2.gz WFFJCLAHSDXSHD-UHFFFAOYSA-N 0 0 202.257 2.345 10 0 BEAERN Cc1cc(Br)c(F)c(CO)c1 ZINC000075925971 188308972 /nfs/dbraw/zinc/30/89/72/188308972.db2.gz ABZHOJSLEZVRGF-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Fc1cncc(-c2nc(Br)no2)c1 ZINC000160150794 353314614 /nfs/dbraw/zinc/31/46/14/353314614.db2.gz BBDGQZQQYJHSPC-UHFFFAOYSA-N 0 0 244.023 2.033 10 0 BEAERN NCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000082532016 188312976 /nfs/dbraw/zinc/31/29/76/188312976.db2.gz UJTMHBKJLVPTHY-UHFFFAOYSA-N 0 0 204.056 2.135 10 0 BEAERN Ic1ccnc2cc[nH]c21 ZINC000089221152 188317885 /nfs/dbraw/zinc/31/78/85/188317885.db2.gz AXGVHAZPEAPDQX-UHFFFAOYSA-N 0 0 244.035 2.168 10 0 BEAERN CC(=O)N1CCCC(=O)c2ccccc21 ZINC000095626886 188320525 /nfs/dbraw/zinc/32/05/25/188320525.db2.gz CVHNXFWPSXHNAE-UHFFFAOYSA-N 0 0 203.241 2.016 10 0 BEAERN CC[C@H](O)c1ccc(Br)cn1 ZINC000129995350 353339497 /nfs/dbraw/zinc/33/94/97/353339497.db2.gz KMVVFDVIZCJRMU-QMMMGPOBSA-N 0 0 216.078 2.288 10 0 BEAERN CSc1ccc(NC[C@@](C)(O)C(C)C)nn1 ZINC000301426045 188336561 /nfs/dbraw/zinc/33/65/61/188336561.db2.gz LJHSLCZGVJTESJ-LLVKDONJSA-N 0 0 241.360 2.017 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1CCCCC1 ZINC000305057976 188337061 /nfs/dbraw/zinc/33/70/61/188337061.db2.gz HTVMMYFUCLALCQ-NSHDSACASA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)CC1=CCCCC1 ZINC000305070513 188337304 /nfs/dbraw/zinc/33/73/04/188337304.db2.gz OFHMLBCCTMYMEL-LBPRGKRZSA-N 0 0 239.359 2.400 10 0 BEAERN Cc1cccc([C@@H](CC(=O)[O-])[NH+](C)C)c1 ZINC000057494653 188356004 /nfs/dbraw/zinc/35/60/04/188356004.db2.gz HSOYOTAIFRMIQO-LLVKDONJSA-N 0 0 207.273 2.072 10 0 BEAERN CC(=O)c1ccc(N(C)[C@@H]2CCSC2)o1 ZINC000131537865 353368793 /nfs/dbraw/zinc/36/87/93/353368793.db2.gz XIJAUNFHYOPSPH-SECBINFHSA-N 0 0 225.313 2.424 10 0 BEAERN Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000334507787 353370828 /nfs/dbraw/zinc/37/08/28/353370828.db2.gz ICNNWIFUNDBBTM-ZYHUDNBSSA-N 0 0 248.326 2.230 10 0 BEAERN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1C1CCC1 ZINC000165502138 353373814 /nfs/dbraw/zinc/37/38/14/353373814.db2.gz YEVXHDHKJZRXOG-USWWRNFRSA-N 0 0 248.326 2.134 10 0 BEAERN CC(C)[C@H](C)NC(=O)CC[C@@H]1CCCCO1 ZINC000110167148 188353244 /nfs/dbraw/zinc/35/32/44/188353244.db2.gz WIDAJISLZCROTK-RYUDHWBXSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)NC(=O)[C@H](C)Nc1ccccc1 ZINC000020304401 188353303 /nfs/dbraw/zinc/35/33/03/188353303.db2.gz UZSSAYLNFQPWAL-JTQLQIEISA-N 0 0 206.289 2.012 10 0 BEAERN C[C@@H]1[C@H](C)SCCN1c1ncc(C=O)s1 ZINC000132755071 353388255 /nfs/dbraw/zinc/38/82/55/353388255.db2.gz DCVGFCJFMSOJHF-SFYZADRCSA-N 0 0 242.369 2.286 10 0 BEAERN Cc1cccc(CNc2cnns2)c1 ZINC000083344418 188355339 /nfs/dbraw/zinc/35/53/39/188355339.db2.gz JESKLOXYOILBJV-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN NC(=S)c1ccc(F)c(Cl)c1F ZINC000083345266 188355549 /nfs/dbraw/zinc/35/55/49/188355549.db2.gz VWCMUHOAVCQYOD-UHFFFAOYSA-N 0 0 207.632 2.252 10 0 BEAERN Cc1csc(CNCc2nc(C)ccc2O)n1 ZINC000112716513 188364031 /nfs/dbraw/zinc/36/40/31/188364031.db2.gz SYZMPCRVFZRTJH-UHFFFAOYSA-N 0 0 249.339 2.150 10 0 BEAERN C[NH+](C)Cc1c2ncccc2sc1C(=O)[O-] ZINC000238854948 188369410 /nfs/dbraw/zinc/36/94/10/188369410.db2.gz PTXWXLKRNAPQRE-UHFFFAOYSA-N 0 0 236.296 2.056 10 0 BEAERN CC1CC2(C1)C(N)=NC(=O)N2Cc1ccccc1 ZINC000232797569 353484940 /nfs/dbraw/zinc/48/49/40/353484940.db2.gz BWEFUJXKXVEHDN-UHFFFAOYSA-N 0 0 243.310 2.148 10 0 BEAERN CO[C@@H]1CN(c2nsnc2Cl)CC[C@@H]1C ZINC000230307660 353485175 /nfs/dbraw/zinc/48/51/75/353485175.db2.gz HHDDBTQFHQNYES-NKWVEPMBSA-N 0 0 247.751 2.053 10 0 BEAERN O=C1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000300968182 363231680 /nfs/dbraw/zinc/23/16/80/363231680.db2.gz QHYOEDHFQDZMNZ-SECBINFHSA-N 0 0 217.259 2.087 10 0 BEAERN CCOC(=O)Nc1ccc(Br)nc1 ZINC000062194018 353549714 /nfs/dbraw/zinc/54/97/14/353549714.db2.gz YTWICGBZNRQBHG-UHFFFAOYSA-N 0 0 245.076 2.413 10 0 BEAERN CC1CC([N@@H+]2CCCCC[C@H]2C(=O)[O-])C1 ZINC000232815149 353582413 /nfs/dbraw/zinc/58/24/13/353582413.db2.gz QMMPHRWDTTVKEE-ILDUYXDCSA-N 0 0 211.305 2.114 10 0 BEAERN COC(=O)N1CCc2sccc2[C@H]1C ZINC000135863829 353587838 /nfs/dbraw/zinc/58/78/38/353587838.db2.gz NLISHWYKEHIZHS-SSDOTTSWSA-N 0 0 211.286 2.434 10 0 BEAERN Fc1cccc(-c2nc(CNC3CC3)no2)c1 ZINC000051861486 180993887 /nfs/dbraw/zinc/99/38/87/180993887.db2.gz FJEVPFXMCSPLCN-UHFFFAOYSA-N 0 0 233.246 2.128 10 0 BEAERN O=c1[nH]c(-c2ccccc2)nc2c1CCCC2 ZINC000016855231 353695915 /nfs/dbraw/zinc/69/59/15/353695915.db2.gz UICMJIZPQLNBRS-UHFFFAOYSA-N 0 0 226.279 2.316 10 0 BEAERN CC(C)(O)C(=O)Cc1ccc(Cl)cc1 ZINC000232555012 353733493 /nfs/dbraw/zinc/73/34/93/353733493.db2.gz KNRNOIARYBHLDC-UHFFFAOYSA-N 0 0 212.676 2.223 10 0 BEAERN Fc1cccc2c1CC[C@@H]2NCc1ncc[nH]1 ZINC000112346589 181004973 /nfs/dbraw/zinc/00/49/73/181004973.db2.gz QZZQUXVOYNZROI-LBPRGKRZSA-N 0 0 231.274 2.326 10 0 BEAERN Fc1ccc(Br)c(NC2COC2)c1 ZINC000232237012 353702934 /nfs/dbraw/zinc/70/29/34/353702934.db2.gz SAYWYPJGHDZPOZ-UHFFFAOYSA-N 0 0 246.079 2.399 10 0 BEAERN Fc1cccc2c1SCC[C@@H]2NC1COC1 ZINC000087194617 181006841 /nfs/dbraw/zinc/00/68/41/181006841.db2.gz MGOWHZHDXXCIRT-NSHDSACASA-N 0 0 239.315 2.351 10 0 BEAERN CC1(C)C[C@H]1C1N=NC(=S)N1C1CC1 ZINC000232830393 353719386 /nfs/dbraw/zinc/71/93/86/353719386.db2.gz CVCHDKWXSOXWOE-ZETCQYMHSA-N 0 0 209.318 2.415 10 0 BEAERN Fc1cccc(NC[C@H]2CCOC2)c1F ZINC000040230084 181001884 /nfs/dbraw/zinc/00/18/84/181001884.db2.gz IQFDHDPUJQIQEH-MRVPVSSYSA-N 0 0 213.227 2.413 10 0 BEAERN Fc1cccc(NC[C@@H]2CCOC2)c1F ZINC000040230083 181001941 /nfs/dbraw/zinc/00/19/41/181001941.db2.gz IQFDHDPUJQIQEH-QMMMGPOBSA-N 0 0 213.227 2.413 10 0 BEAERN O[C@H](Cc1ccncc1)c1cccs1 ZINC000053134438 353749632 /nfs/dbraw/zinc/74/96/32/353749632.db2.gz YGVWXYYJNVYGQP-SNVBAGLBSA-N 0 0 205.282 2.419 10 0 BEAERN Fc1ccccc1CNc1ccncn1 ZINC000040862999 181013517 /nfs/dbraw/zinc/01/35/17/181013517.db2.gz WOEBXHFZVGGHED-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1ccccc1CNc1cccnn1 ZINC000052815933 181013585 /nfs/dbraw/zinc/01/35/85/181013585.db2.gz YJQGDJXYQBVBAY-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN O=C(Nc1cccc(-c2ncon2)c1)C1CC1 ZINC000165869094 353764474 /nfs/dbraw/zinc/76/44/74/353764474.db2.gz CSLVQPIMVJORCR-UHFFFAOYSA-N 0 0 229.239 2.085 10 0 BEAERN Fc1ccccc1CCNc1ccncn1 ZINC000040862948 181011426 /nfs/dbraw/zinc/01/14/26/181011426.db2.gz KOUFMFJOYUYDRK-UHFFFAOYSA-N 0 0 217.247 2.270 10 0 BEAERN CC1(C)C[C@@H]1C(=O)Nc1cc(Cl)ncn1 ZINC000232845100 353788419 /nfs/dbraw/zinc/78/84/19/353788419.db2.gz AILMMLKRXXQINB-ZCFIWIBFSA-N 0 0 225.679 2.115 10 0 BEAERN CCCCCNc1ncnc(OCCC)c1N ZINC000082488389 168723324 /nfs/dbraw/zinc/72/33/24/168723324.db2.gz XHIWIULIIIZSFZ-UHFFFAOYSA-N 0 0 238.335 2.450 10 0 BEAERN Cc1cccc(-n2cnnc2Cl)c1F ZINC000301002802 363284352 /nfs/dbraw/zinc/28/43/52/363284352.db2.gz YFFHPONKMMRXQD-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN COc1cncc(CN[C@H](C)c2ncc(C)o2)c1 ZINC000343776173 353986078 /nfs/dbraw/zinc/98/60/78/353986078.db2.gz CUELHRFMTJRGQH-SNVBAGLBSA-N 0 0 247.298 2.237 10 0 BEAERN CCn1cnnc1[C@@H]1CCC(F)(F)C1 ZINC000301015015 363295139 /nfs/dbraw/zinc/29/51/39/363295139.db2.gz OWVIMJIKLWCFTB-SSDOTTSWSA-N 0 0 201.220 2.201 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)nc1C ZINC000334577030 354110538 /nfs/dbraw/zinc/11/05/38/354110538.db2.gz GZPZLPHLFWLJKC-YPMHNXCESA-N 0 0 230.311 2.323 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nccc(OC)n1 ZINC000231663801 363347845 /nfs/dbraw/zinc/34/78/45/363347845.db2.gz DFWLIGMAWWSVQK-BDAKNGLRSA-N 0 0 207.277 2.086 10 0 BEAERN CC(C)c1ccc(OCc2nc(N)n[nH]2)cc1 ZINC000004227378 354349320 /nfs/dbraw/zinc/34/93/20/354349320.db2.gz GDBWBCXZJNNECX-UHFFFAOYSA-N 0 0 232.287 2.089 10 0 BEAERN CCn1c(C)nnc1CS[C@H]1CCO[C@H]1C ZINC000178854468 366171661 /nfs/dbraw/zinc/17/16/61/366171661.db2.gz RGEZHVSWXIWCCI-WPRPVWTQSA-N 0 0 241.360 2.017 10 0 BEAERN CCCN(CC(C)(C)O)C(=O)[C@H]1CCC[C@@H]1C ZINC000344992040 354390030 /nfs/dbraw/zinc/39/00/30/354390030.db2.gz MAMVVRCALJHFDB-RYUDHWBXSA-N 0 0 241.375 2.432 10 0 BEAERN Cc1ccccc1S(=O)(=O)c1cccc(N)c1 ZINC000521401484 259455122 /nfs/dbraw/zinc/45/51/22/259455122.db2.gz ZCFUZPMKLSVZFJ-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN CO[C@@H](C)c1nc(Cl)cc(Cl)n1 ZINC000086574358 491063298 /nfs/dbraw/zinc/06/32/98/491063298.db2.gz JULSPDFQDUUWSL-BYPYZUCNSA-N 0 0 207.060 2.491 10 0 BEAERN Cc1nc(C)c(F)c(N2CC[C@H](C)[C@H]2C)n1 ZINC000334664210 354465097 /nfs/dbraw/zinc/46/50/97/354465097.db2.gz NENCUOFJIZUTQP-IONNQARKSA-N 0 0 223.295 2.467 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CS[C@H](C)C1 ZINC000334808877 354565666 /nfs/dbraw/zinc/56/56/66/354565666.db2.gz ZCHPRBOATPUSLE-NXEZZACHSA-N 0 0 237.372 2.328 10 0 BEAERN C[C@H]1CN(C(=O)[C@H]2CCCCS2)CCS1 ZINC000335125101 354767408 /nfs/dbraw/zinc/76/74/08/354767408.db2.gz QAQJRCUXJCQISA-VHSXEESVSA-N 0 0 245.413 2.236 10 0 BEAERN Cc1nc(Cl)nc(NCc2ccco2)c1N ZINC000004243302 354828224 /nfs/dbraw/zinc/82/82/24/354828224.db2.gz NNJCFTAYPSQZOH-UHFFFAOYSA-N 0 0 238.678 2.226 10 0 BEAERN O=C(c1cc(Cl)ccn1)N1C[C@H]2CCC[C@H]21 ZINC000335144372 354851273 /nfs/dbraw/zinc/85/12/73/354851273.db2.gz APSNUXCYEUAXEM-LDYMZIIASA-N 0 0 236.702 2.360 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)c(C)n1 ZINC000335145018 354853673 /nfs/dbraw/zinc/85/36/73/354853673.db2.gz ZOONVQYZFZEKFQ-DGCLKSJQSA-N 0 0 230.311 2.323 10 0 BEAERN CCN(C)C(=O)N[C@@H]1CCC12CCCC2 ZINC000335955613 134022790 /nfs/dbraw/zinc/02/27/90/134022790.db2.gz ZJMQZKJHDXVSDN-SNVBAGLBSA-N 0 0 210.321 2.371 10 0 BEAERN C[C@H]1CN(C(=O)N[C@@H]2CCC2(C)C)CCS1 ZINC000335957486 134023547 /nfs/dbraw/zinc/02/35/47/134023547.db2.gz AUIHCBFUFSIOIH-VHSXEESVSA-N 0 0 242.388 2.322 10 0 BEAERN COP(=O)(OC)[C@](C)(O)c1ccccc1F ZINC000584602540 491069902 /nfs/dbraw/zinc/06/99/02/491069902.db2.gz OCPUUKGIYGLPBH-JTQLQIEISA-N 0 0 248.190 2.477 10 0 BEAERN C[C@]12C=C[C@H](CC1)ON2c1ccccn1 ZINC000584657782 491070479 /nfs/dbraw/zinc/07/04/79/491070479.db2.gz IFHBQPYHCIQQKN-PWSUYJOCSA-N 0 0 202.257 2.311 10 0 BEAERN O=C(N[C@@H]1CC12CCCCC2)N1CC[C@H](F)C1 ZINC000335242597 355178255 /nfs/dbraw/zinc/17/82/55/355178255.db2.gz UFGLHRXNESFFLU-WDEREUQCSA-N 0 0 240.322 2.463 10 0 BEAERN CO[C@H](C)CCNc1nccnc1C(C)C ZINC000413119607 191358285 /nfs/dbraw/zinc/35/82/85/191358285.db2.gz YLCGWLJMXIGACR-SNVBAGLBSA-N 0 0 223.320 2.437 10 0 BEAERN CO[C@H](CNc1nccnc1C(C)C)C(C)C ZINC000413163410 191360214 /nfs/dbraw/zinc/36/02/14/191360214.db2.gz DWYZCFJWHVUOFZ-LLVKDONJSA-N 0 0 237.347 2.105 10 0 BEAERN CC1(C)C[C@@H]1CNC1N=NC(=S)S1 ZINC000232981834 355218301 /nfs/dbraw/zinc/21/83/01/355218301.db2.gz HYZHWDIDBREUSO-RXMQYKEDSA-N 0 0 215.347 2.285 10 0 BEAERN CO[C@H]1C[C@H](Nc2nccnc2C(C)C)C1(C)C ZINC000413183707 191362848 /nfs/dbraw/zinc/36/28/48/191362848.db2.gz INXIJUHWDCNMMW-QWRGUYRKSA-N 0 0 249.358 2.247 10 0 BEAERN CC(C)c1nccnc1NCCC[C@@H](C)CO ZINC000413202578 191363789 /nfs/dbraw/zinc/36/37/89/191363789.db2.gz GZFFZFGRKAJTKZ-LLVKDONJSA-N 0 0 237.347 2.421 10 0 BEAERN CC(C)c1nccnc1NCC[C@@H]1CCOC1 ZINC000413226367 191364604 /nfs/dbraw/zinc/36/46/04/191364604.db2.gz HQVHGXUTKLJOEN-LLVKDONJSA-N 0 0 235.331 2.439 10 0 BEAERN CC(C)c1nccnc1N1CCC(C)(CO)CC1 ZINC000413227947 191365525 /nfs/dbraw/zinc/36/55/25/191365525.db2.gz IWFOCZPLSFNNLX-UHFFFAOYSA-N 0 0 249.358 2.199 10 0 BEAERN CC(C)c1nccnc1N1CC[C@H](O)C(C)(C)C1 ZINC000413245231 191365695 /nfs/dbraw/zinc/36/56/95/191365695.db2.gz JFDINADVBWFZGG-NSHDSACASA-N 0 0 249.358 2.197 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CCC(C)(C)O1 ZINC000413243374 191365984 /nfs/dbraw/zinc/36/59/84/191365984.db2.gz DHGQZCIVFITOLB-NSHDSACASA-N 0 0 249.358 2.391 10 0 BEAERN CO[C@@](C)(CNc1nccnc1C(C)C)C1CC1 ZINC000413293693 191369020 /nfs/dbraw/zinc/36/90/20/191369020.db2.gz CDNWDYZHBZGDNT-AWEZNQCLSA-N 0 0 249.358 2.249 10 0 BEAERN CC[C@](C)(CNc1nccnc1C(C)C)OC ZINC000413309883 191371408 /nfs/dbraw/zinc/37/14/08/191371408.db2.gz GGGSDAVSVRIRBN-CYBMUJFWSA-N 0 0 237.347 2.249 10 0 BEAERN CC(C)c1nccnc1NCC[C@H](C)CCO ZINC000413324459 191372945 /nfs/dbraw/zinc/37/29/45/191372945.db2.gz JLXNMEXXLYEKOL-NSHDSACASA-N 0 0 237.347 2.421 10 0 BEAERN CCCCC[C@H](NCC(F)(F)F)C(=O)OC ZINC000037973481 168745018 /nfs/dbraw/zinc/74/50/18/168745018.db2.gz JJAQGGWNKKVWPX-QMMMGPOBSA-N 0 0 241.253 2.260 10 0 BEAERN Nc1ccc(Sc2ccccn2)cn1 ZINC000019869376 355362556 /nfs/dbraw/zinc/36/25/56/355362556.db2.gz WUPOJRSNQVQXDX-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN C[C@H]1CN([C@H]2CCOC2)c2ccccc21 ZINC000335777450 355402854 /nfs/dbraw/zinc/40/28/54/355402854.db2.gz DIOQHHCCMFVMQX-QWRGUYRKSA-N 0 0 203.285 2.399 10 0 BEAERN C[C@H]1CN([C@@H]2CCOC2)c2ccccc21 ZINC000335777451 355403244 /nfs/dbraw/zinc/40/32/44/355403244.db2.gz DIOQHHCCMFVMQX-WDEREUQCSA-N 0 0 203.285 2.399 10 0 BEAERN C/C=C\CCNc1ncnc(N)c1Cl ZINC000308399751 355421382 /nfs/dbraw/zinc/42/13/82/355421382.db2.gz FVNICDFVMTXSOG-IHWYPQMZSA-N 0 0 212.684 2.090 10 0 BEAERN CCCCCn1c2cc(N)ccc2oc1=O ZINC000035328721 168750595 /nfs/dbraw/zinc/75/05/95/168750595.db2.gz NCFUZEKVBZBLAD-UHFFFAOYSA-N 0 0 220.272 2.367 10 0 BEAERN CC(C)(C)OC(=O)CC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000350731494 355751534 /nfs/dbraw/zinc/75/15/34/355751534.db2.gz ATWLDDKCAMWLGD-GHMZBOCLSA-N 0 0 225.332 2.203 10 0 BEAERN CCc1nc([C@H]2CSCCN2)sc1C ZINC000160264098 355772198 /nfs/dbraw/zinc/77/21/98/355772198.db2.gz XZWOADYZRFOLSG-SECBINFHSA-N 0 0 228.386 2.391 10 0 BEAERN CC(=O)[C@H](N)c1ccc(Cl)c(F)c1 ZINC000168432078 355819366 /nfs/dbraw/zinc/81/93/66/355819366.db2.gz KBSXAWPZTHGPDZ-VIFPVBQESA-N 0 0 201.628 2.068 10 0 BEAERN NC(=O)C1(Nc2cccc(Cl)c2)CCC1 ZINC000037942599 181215231 /nfs/dbraw/zinc/21/52/31/181215231.db2.gz OBAHIEOJYAAAEQ-UHFFFAOYSA-N 0 0 224.691 2.160 10 0 BEAERN NC(=O)C1(Nc2ccccc2F)CCCCC1 ZINC000037945336 181215376 /nfs/dbraw/zinc/21/53/76/181215376.db2.gz VXGSXUJISVZPFN-UHFFFAOYSA-N 0 0 236.290 2.426 10 0 BEAERN NC(=O)C1(Nc2ccc(F)cc2)CCCC1 ZINC000037942723 181215389 /nfs/dbraw/zinc/21/53/89/181215389.db2.gz FHWLXPZVKNKJTK-UHFFFAOYSA-N 0 0 222.263 2.036 10 0 BEAERN Cc1ccsc1[C@H](O)Cc1ncc[nH]1 ZINC000040261601 355913847 /nfs/dbraw/zinc/91/38/47/355913847.db2.gz LZVYDQXDLPSBAR-MRVPVSSYSA-N 0 0 208.286 2.056 10 0 BEAERN NC(=O)CCNc1cccc2ccccc21 ZINC000036924312 181226828 /nfs/dbraw/zinc/22/68/28/181226828.db2.gz XWZRJVPTYMTQHC-UHFFFAOYSA-N 0 0 214.268 2.127 10 0 BEAERN CC[C@@H](C)NC(=O)N[C@H](C)c1ncc(C)o1 ZINC000351721845 356071697 /nfs/dbraw/zinc/07/16/97/356071697.db2.gz IICVFJLQOWPFMO-VXNVDRBHSA-N 0 0 225.292 2.142 10 0 BEAERN NC(=O)Nc1ccc(NCc2nccs2)cc1 ZINC000104355642 181262433 /nfs/dbraw/zinc/26/24/33/181262433.db2.gz XANJURHUFIDUAK-UHFFFAOYSA-N 0 0 248.311 2.246 10 0 BEAERN O=C(NC[C@@H]1CCCSC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000384095989 356276209 /nfs/dbraw/zinc/27/62/09/356276209.db2.gz DBYWTHQHTHXLGT-YFKTTZPYSA-N 0 0 239.384 2.292 10 0 BEAERN O=C(NC1CC1)N[C@@H]1CCC12CCCC2 ZINC000336118022 134088894 /nfs/dbraw/zinc/08/88/94/134088894.db2.gz IJVDEXRRSQPOIZ-SNVBAGLBSA-N 0 0 208.305 2.171 10 0 BEAERN NC(=O)Nc1cccc(NCc2ccc[nH]2)c1 ZINC000051789038 181263070 /nfs/dbraw/zinc/26/30/70/181263070.db2.gz YMVSPGKROXNFTK-UHFFFAOYSA-N 0 0 230.271 2.117 10 0 BEAERN NC(=O)Nc1ccc(NCC2CCOCC2)cc1 ZINC000052178310 181263133 /nfs/dbraw/zinc/26/31/33/181263133.db2.gz ARXRSTFXVNXTFX-UHFFFAOYSA-N 0 0 249.314 2.016 10 0 BEAERN NC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000019275064 181263790 /nfs/dbraw/zinc/26/37/90/181263790.db2.gz YHHXNISLGRIAQZ-UHFFFAOYSA-N 0 0 227.676 2.440 10 0 BEAERN NC(=O)O[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000001671405 181264175 /nfs/dbraw/zinc/26/41/75/181264175.db2.gz GRNNEYJUCYPIBW-SNVBAGLBSA-N 0 0 240.690 2.014 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1Cl)C1CC1 ZINC000041047397 181265830 /nfs/dbraw/zinc/26/58/30/181265830.db2.gz ALWVEJPKUHRIPI-JTQLQIEISA-N 0 0 224.691 2.016 10 0 BEAERN NC(=O)[C@@H](Nc1cccc(Cl)c1)C1CC1 ZINC000041047399 181266017 /nfs/dbraw/zinc/26/60/17/181266017.db2.gz DKMGSURVWJPPKF-JTQLQIEISA-N 0 0 224.691 2.016 10 0 BEAERN O=C(CN1C[C@@H]2CCC[C@H]21)c1ccccc1F ZINC000639538469 356390716 /nfs/dbraw/zinc/39/07/16/356390716.db2.gz PDYXKHTYVFDEAE-GXFFZTMASA-N 0 0 233.286 2.493 10 0 BEAERN CC1(C)CN(C(=O)[C@H]2C[C@H]2c2ccco2)CCO1 ZINC000123586197 358504079 /nfs/dbraw/zinc/50/40/79/358504079.db2.gz KUTSJEFPUMNQLA-MNOVXSKESA-N 0 0 249.310 2.021 10 0 BEAERN CN(C)c1c(O)cccc1OC(F)(F)F ZINC000396124624 356454363 /nfs/dbraw/zinc/45/43/63/356454363.db2.gz DDLNCPPPHDMBIT-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN CCOC(=O)c1ccc(CC)c(C#N)c1O ZINC000396139704 356456307 /nfs/dbraw/zinc/45/63/07/356456307.db2.gz VQWDABNFEWUVTR-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)Cc1cc(C#N)c(F)cc1Cl ZINC000396154149 356461463 /nfs/dbraw/zinc/46/14/63/356461463.db2.gz UANITDXJECMVCP-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN NC(=O)[C@H](Cc1ccccc1)Nc1ccccc1 ZINC000037941834 181276849 /nfs/dbraw/zinc/27/68/49/181276849.db2.gz XZWBQKBSMWXBPM-AWEZNQCLSA-N 0 0 240.306 2.195 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)NCCCF)o1 ZINC000137195641 491092734 /nfs/dbraw/zinc/09/27/34/491092734.db2.gz RJILYHJZGOPBTC-SECBINFHSA-N 0 0 228.267 2.308 10 0 BEAERN CC(=O)c1ccc(-c2cnc3n2CCOC3)cc1 ZINC000623284589 356474899 /nfs/dbraw/zinc/47/48/99/356474899.db2.gz SGOMRQVTAMRENJ-UHFFFAOYSA-N 0 0 242.278 2.283 10 0 BEAERN NC(=O)[C@H](Nc1ccc(Cl)cc1)C1CC1 ZINC000041047424 181277762 /nfs/dbraw/zinc/27/77/62/181277762.db2.gz SOPRUXFLNCHESR-SNVBAGLBSA-N 0 0 224.691 2.016 10 0 BEAERN CCCCN(C)C(=O)c1cccc(C)c1N ZINC000019264195 168765229 /nfs/dbraw/zinc/76/52/29/168765229.db2.gz YKLKHVCLAZGIIR-UHFFFAOYSA-N 0 0 220.316 2.449 10 0 BEAERN CCc1cc(-c2cnn(C)c2)ccc1N ZINC000088125628 356521165 /nfs/dbraw/zinc/52/11/65/356521165.db2.gz AZOWLGREMRBIRN-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN CC(C)OCCC(=O)N1CCOc2ccccc21 ZINC000123588753 535318466 /nfs/dbraw/zinc/31/84/66/535318466.db2.gz OXLGCIWQELHNMT-UHFFFAOYSA-N 0 0 249.310 2.227 10 0 BEAERN COc1ccc(O)c(Br)c1F ZINC000216134183 363485218 /nfs/dbraw/zinc/48/52/18/363485218.db2.gz OCFYOWQQYWUMBR-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN CCC(O)(CC)CSc1ncc(C)cn1 ZINC000162908956 202095935 /nfs/dbraw/zinc/09/59/35/202095935.db2.gz ISTANBLVAGXVPY-UHFFFAOYSA-N 0 0 226.345 2.428 10 0 BEAERN CC1CCC([C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059584 538484231 /nfs/dbraw/zinc/48/42/31/538484231.db2.gz JOBVBNRHYYENKK-KIDURHIOSA-N 0 0 225.332 2.266 10 0 BEAERN Nc1c(F)ccc(-c2cccnn2)c1F ZINC000675059074 538482798 /nfs/dbraw/zinc/48/27/98/538482798.db2.gz JHBYKNHABOUYQD-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN CCOC(=O)c1c(CC2CC2)coc1C=O ZINC000675051343 538474529 /nfs/dbraw/zinc/47/45/29/538474529.db2.gz HBIPCYIERHAQSP-UHFFFAOYSA-N 0 0 222.240 2.221 10 0 BEAERN O=Cc1ccc(C=C2CCOCC2)cn1 ZINC000675051427 538474621 /nfs/dbraw/zinc/47/46/21/538474621.db2.gz KGSIZFUHJZMFHO-UHFFFAOYSA-N 0 0 203.241 2.088 10 0 BEAERN CCc1cn2c(n1)[C@@H](CC(F)(F)F)NCCC2 ZINC000675068360 538496283 /nfs/dbraw/zinc/49/62/83/538496283.db2.gz PQMFBZWPJUCLPB-SECBINFHSA-N 0 0 247.264 2.432 10 0 BEAERN COC(=O)[C@H](C)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000675068651 538496907 /nfs/dbraw/zinc/49/69/07/538496907.db2.gz RKMYGTIMECVXCX-SSDOTTSWSA-N 0 0 249.241 2.356 10 0 BEAERN O=Cc1ccccc1N1CC(C(F)F)C1 ZINC000675063489 538490034 /nfs/dbraw/zinc/49/00/34/538490034.db2.gz GIBXVCSRDSMYMR-UHFFFAOYSA-N 0 0 211.211 2.200 10 0 BEAERN CC(=O)[C@@H]1COc2cc(C)c(C)cc2C1 ZINC000675063465 538490105 /nfs/dbraw/zinc/49/01/05/538490105.db2.gz FPZVQKMSGHORGA-LBPRGKRZSA-N 0 0 204.269 2.444 10 0 BEAERN CC(C)[C@H]1CCc2c(c[nH+]c(N)c2C(=O)[O-])C1 ZINC000675064085 538490942 /nfs/dbraw/zinc/49/09/42/538490942.db2.gz VHZFUFILKQBNBC-QMMMGPOBSA-N 0 0 234.299 2.123 10 0 BEAERN C[C@@H](C(=O)NCc1csc(N)n1)C(C)(C)C ZINC000675072860 538504021 /nfs/dbraw/zinc/50/40/21/538504021.db2.gz IVSOWVBKOVKUAV-ZETCQYMHSA-N 0 0 241.360 2.024 10 0 BEAERN CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C1CC1 ZINC000167855056 134154369 /nfs/dbraw/zinc/15/43/69/134154369.db2.gz XRKJTIYSTMVKOQ-MWLCHTKSSA-N 0 0 234.347 2.064 10 0 BEAERN Cc1sc(C)c(S(N)(=O)=O)c1CC(C)C ZINC000675079463 538518804 /nfs/dbraw/zinc/51/88/04/538518804.db2.gz ZHWLXLBZPHZPQG-UHFFFAOYSA-N 0 0 247.385 2.211 10 0 BEAERN COC(=O)c1cc2c[nH]cc(Cl)c-2n1 ZINC000675080828 538520325 /nfs/dbraw/zinc/52/03/25/538520325.db2.gz WLVRLRSKYSPFTD-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN COc1ccc([C@]23C[C@H](CC2)[C@H]3O)cc1 ZINC000675081128 538520762 /nfs/dbraw/zinc/52/07/62/538520762.db2.gz IJWMTTIPXZUESV-ZWKOPEQDSA-N 0 0 204.269 2.108 10 0 BEAERN COc1cccc([C@]23C[C@H](CC2)C3=O)c1 ZINC000675081909 538522610 /nfs/dbraw/zinc/52/26/10/538522610.db2.gz ZLIBKQGDLTTZKE-TVQRCGJNSA-N 0 0 202.253 2.316 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCCC(C)(C)C2 ZINC000084324515 538530977 /nfs/dbraw/zinc/53/09/77/538530977.db2.gz WSCLKDIWUDBUPB-CABZTGNLSA-N 0 0 212.289 2.287 10 0 BEAERN CCc1nc(C)cc(Br)n1 ZINC000126476587 538534186 /nfs/dbraw/zinc/53/41/86/538534186.db2.gz AKKJZKQSPYPIJR-UHFFFAOYSA-N 0 0 201.067 2.110 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CC[C@@H](C)C2 ZINC000220855851 538547989 /nfs/dbraw/zinc/54/79/89/538547989.db2.gz XXGJCPZAQQQKHU-USWWRNFRSA-N 0 0 212.289 2.143 10 0 BEAERN C[C@H](SC1COC1)C(=O)c1ccccc1 ZINC000086195529 538552318 /nfs/dbraw/zinc/55/23/18/538552318.db2.gz XFATXPQZDWTUHA-VIFPVBQESA-N 0 0 222.309 2.390 10 0 BEAERN CCCCCCn1cc(N)c(C)cc1=O ZINC000086237583 538553617 /nfs/dbraw/zinc/55/36/17/538553617.db2.gz DXYQOBIDKBOLSY-UHFFFAOYSA-N 0 0 208.305 2.319 10 0 BEAERN Nc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000086491251 538554874 /nfs/dbraw/zinc/55/48/74/538554874.db2.gz MAEFZTQFVJMAGM-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Nc1cccc(-c2nnc(C(F)F)o2)c1 ZINC000675082646 538523550 /nfs/dbraw/zinc/52/35/50/538523550.db2.gz SFJSMESIWLIBIO-UHFFFAOYSA-N 0 0 211.171 2.256 10 0 BEAERN CCc1nn2c(c1Br)NCCC2 ZINC000084236771 538528710 /nfs/dbraw/zinc/52/87/10/538528710.db2.gz VSYUVJLZFLOFCG-UHFFFAOYSA-N 0 0 230.109 2.024 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCCC(C)(C)C2 ZINC000084324510 538530021 /nfs/dbraw/zinc/53/00/21/538530021.db2.gz WSCLKDIWUDBUPB-JOYOIKCWSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCCC(C)(C)CC2 ZINC000084324163 538530253 /nfs/dbraw/zinc/53/02/53/538530253.db2.gz HRVADCAOCIVARP-CABZTGNLSA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)c1noc([C@@H]2CCCCS2)n1 ZINC000087682172 538569367 /nfs/dbraw/zinc/56/93/67/538569367.db2.gz BBSCIFWFYLCHFS-ZETCQYMHSA-N 0 0 242.300 2.205 10 0 BEAERN Nc1ccc(-c2cnn(CCF)c2)cc1 ZINC000087775441 538569379 /nfs/dbraw/zinc/56/93/79/538569379.db2.gz ZZASLHIGNJLKQS-UHFFFAOYSA-N 0 0 205.236 2.102 10 0 BEAERN CCc1nn(CCCSC)c(CC)c1N ZINC000129125885 538572634 /nfs/dbraw/zinc/57/26/34/538572634.db2.gz FEABBKPTSOXLOD-UHFFFAOYSA-N 0 0 227.377 2.343 10 0 BEAERN Cc1cc(F)cc2c(=O)[nH]c(Cl)nc12 ZINC000129328240 538574112 /nfs/dbraw/zinc/57/41/12/538574112.db2.gz RSTZLOUQWXAVHJ-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN CCN(C[C@@H](C)CO)c1cccc(F)c1 ZINC000121323129 491102527 /nfs/dbraw/zinc/10/25/27/491102527.db2.gz CRMWAZIAPALQIG-SNVBAGLBSA-N 0 0 211.280 2.280 10 0 BEAERN Cc1ccc(Cl)c([C@H](O)c2cn[nH]c2)c1 ZINC000313383104 538579275 /nfs/dbraw/zinc/57/92/75/538579275.db2.gz KGKRPNBWDWAAES-LLVKDONJSA-N 0 0 222.675 2.453 10 0 BEAERN CC[C@H](C(=O)C1CCCC1)C(OC)OC ZINC000313439383 538579945 /nfs/dbraw/zinc/57/99/45/538579945.db2.gz BNMNKLNRRJZYGI-SNVBAGLBSA-N 0 0 214.305 2.391 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc2c(c1)COC2 ZINC000092166528 538595923 /nfs/dbraw/zinc/59/59/23/538595923.db2.gz JQCWCCHMDXOXIE-QPUJVOFHSA-N 0 0 232.283 2.247 10 0 BEAERN Nc1nn(C[C@@H]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000403864521 538567006 /nfs/dbraw/zinc/56/70/06/538567006.db2.gz XGKWQKBUFOEUGB-HRDYMLBCSA-N 0 0 225.723 2.385 10 0 BEAERN CCOC(=O)c1noc([C@@H]2CCC[C@H]2C)n1 ZINC000226696440 538614035 /nfs/dbraw/zinc/61/40/35/538614035.db2.gz UUUHJSMQNGBSJD-HTQZYQBOSA-N 0 0 224.260 2.150 10 0 BEAERN CC1(C)CN(c2ccc(C=O)o2)CCS1 ZINC000135214578 538614462 /nfs/dbraw/zinc/61/44/62/538614462.db2.gz PLDRZAGEBJSXDK-UHFFFAOYSA-N 0 0 225.313 2.424 10 0 BEAERN Cc1nn(Cc2ccccc2C)cc1N ZINC000135796272 538615978 /nfs/dbraw/zinc/61/59/78/538615978.db2.gz JDXQMLYVWDTTQT-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1nn(Cc2ccc(Cl)cc2)cc1N ZINC000135799730 538617307 /nfs/dbraw/zinc/61/73/07/538617307.db2.gz IGZKTJUAHQPUAD-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CC1CC(C(=O)N2CCC[C@H](C)[C@H]2CCO)C1 ZINC000618014562 356875412 /nfs/dbraw/zinc/87/54/12/356875412.db2.gz PECNHOHABLRGMF-PYNQCMFNSA-N 0 0 239.359 2.042 10 0 BEAERN CCc1noc(C)c1NC(=O)N[C@H]1C[C@@H]1C ZINC000155253037 538707622 /nfs/dbraw/zinc/70/76/22/538707622.db2.gz DPGHBQBADKMSSS-RCOVLWMOSA-N 0 0 223.276 2.075 10 0 BEAERN CCCC(=O)NCC(=O)Nc1ccccc1CC ZINC000017864615 356970710 /nfs/dbraw/zinc/97/07/10/356970710.db2.gz FAWLBRZGEDHDHY-UHFFFAOYSA-N 0 0 248.326 2.104 10 0 BEAERN CC(C)(C)c1nc(Br)cc(=O)[nH]1 ZINC000160445042 356979174 /nfs/dbraw/zinc/97/91/74/356979174.db2.gz JKFZJDFZPQUARU-UHFFFAOYSA-N 0 0 231.093 2.242 10 0 BEAERN C[C@@H](O)Cc1cc(Cl)cc2c1OCC2 ZINC000160465125 356986084 /nfs/dbraw/zinc/98/60/84/356986084.db2.gz QMFWYFYBEYWATE-SSDOTTSWSA-N 0 0 212.676 2.198 10 0 BEAERN C[C@H](Nc1cc(Br)ncn1)C1CC1 ZINC000160576094 357081264 /nfs/dbraw/zinc/08/12/64/357081264.db2.gz ZXRYTZGXKYVNPW-LURJTMIESA-N 0 0 242.120 2.450 10 0 BEAERN NC1(C(=O)c2ccc(Cl)s2)CC1 ZINC000226433625 357139135 /nfs/dbraw/zinc/13/91/35/357139135.db2.gz PXCPMOJIIOGHPL-UHFFFAOYSA-N 0 0 201.678 2.076 10 0 BEAERN CC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000026479891 357151544 /nfs/dbraw/zinc/15/15/44/357151544.db2.gz HCDDDRWQURKEJA-UHFFFAOYSA-N 0 0 246.093 2.312 10 0 BEAERN Fc1ccc(-c2nc(Br)no2)nc1 ZINC000130024113 357156099 /nfs/dbraw/zinc/15/60/99/357156099.db2.gz LLPQEXGSPPQHFE-UHFFFAOYSA-N 0 0 244.023 2.033 10 0 BEAERN CCc1cnccc1-c1noc(C[C@@H](O)CC)n1 ZINC000122255577 357170501 /nfs/dbraw/zinc/17/05/01/357170501.db2.gz QSVZQCNDSTYXBR-JTQLQIEISA-N 0 0 247.298 2.007 10 0 BEAERN O=Cc1cccn1Cc1cccc(F)c1 ZINC000035431382 357241681 /nfs/dbraw/zinc/24/16/81/357241681.db2.gz SDWOSXFFVKEYRX-UHFFFAOYSA-N 0 0 203.216 2.488 10 0 BEAERN CC(C)[C@H]1CCN(C(=S)NC2CC2)C1 ZINC000130075465 357175498 /nfs/dbraw/zinc/17/54/98/357175498.db2.gz FQDBASCPIJGYRP-VIFPVBQESA-N 0 0 212.362 2.001 10 0 BEAERN O[C@H](Cc1ccsc1)c1ccccn1 ZINC000053782928 357180002 /nfs/dbraw/zinc/18/00/02/357180002.db2.gz KRBCOMAYMCSWRZ-LLVKDONJSA-N 0 0 205.282 2.419 10 0 BEAERN CCOC(=O)c1cc2c(F)cccc2c(=O)[nH]1 ZINC000259964423 538833428 /nfs/dbraw/zinc/83/34/28/538833428.db2.gz CVRCIDKHKKGITG-UHFFFAOYSA-N 0 0 235.214 2.256 10 0 BEAERN C[C@@H]1CCSCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000385329250 357404956 /nfs/dbraw/zinc/40/49/56/357404956.db2.gz OWQQTZHFIJENTR-WISYIIOYSA-N 0 0 239.384 2.387 10 0 BEAERN CC(=O)[C@H](C)Cc1cccc([N+](=O)[O-])c1 ZINC000037947263 357502268 /nfs/dbraw/zinc/50/22/68/357502268.db2.gz BAPVARIKFATIKV-MRVPVSSYSA-N 0 0 207.229 2.362 10 0 BEAERN COC(=O)[C@H](N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000230630177 357542232 /nfs/dbraw/zinc/54/22/32/357542232.db2.gz VIWIETQPBQCMDK-BXKDBHETSA-N 0 0 237.299 2.190 10 0 BEAERN NC(=O)c1cc(NCCC2CCCC2)ccn1 ZINC000037741461 181291475 /nfs/dbraw/zinc/29/14/75/181291475.db2.gz QPVYUXKQHNIOKV-UHFFFAOYSA-N 0 0 233.315 2.173 10 0 BEAERN C/C=C/CN[C@H](C(=O)OC)c1ccccc1 ZINC000050507764 357628527 /nfs/dbraw/zinc/62/85/27/357628527.db2.gz BQGXAGICAJOLMH-PCAWENJQSA-N 0 0 219.284 2.066 10 0 BEAERN Cc1cccc2c1OCC[C@@H]2NCc1cc[nH]n1 ZINC000188953610 357605809 /nfs/dbraw/zinc/60/58/09/357605809.db2.gz LUZWBVPCSYCTMV-ZDUSSCGKSA-N 0 0 243.310 2.332 10 0 BEAERN CCC[C@H]1CN(C(=O)N[C@@H](C)C(C)C)CCO1 ZINC000159184810 538875539 /nfs/dbraw/zinc/87/55/39/538875539.db2.gz RGZKTZBUXAJVBC-RYUDHWBXSA-N 0 0 242.363 2.241 10 0 BEAERN CCC1(CNC(=O)[C@H]2CCCO[C@H]2C)CCC1 ZINC000189150289 357607095 /nfs/dbraw/zinc/60/70/95/357607095.db2.gz XYLHMILSKWUYJI-RYUDHWBXSA-N 0 0 239.359 2.498 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2CCSC2)o1 ZINC000231532162 357608922 /nfs/dbraw/zinc/60/89/22/357608922.db2.gz IXUJHOPYYVCWAF-DTWKUNHWSA-N 0 0 212.318 2.139 10 0 BEAERN CN1CCC(=C(F)Br)CC1 ZINC000685947347 538889336 /nfs/dbraw/zinc/88/93/36/538889336.db2.gz JSAOMHMCRKXCDN-UHFFFAOYSA-N 0 0 208.074 2.288 10 0 BEAERN CC(C)(C)C(=O)NCC[C@@H]1CCCC[C@H]1O ZINC000685948192 538890572 /nfs/dbraw/zinc/89/05/72/538890572.db2.gz ZVUPGVVVQXLYAM-WDEREUQCSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCCC1=CCCC1 ZINC000189728141 357665118 /nfs/dbraw/zinc/66/51/18/357665118.db2.gz YLDHCZGAMVYPEB-DGCLKSJQSA-N 0 0 237.343 2.418 10 0 BEAERN CC1(C)CCC[C@H]([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])C1 ZINC000685949693 538893036 /nfs/dbraw/zinc/89/30/36/538893036.db2.gz AVANJWWITKURQU-AXFHLTTASA-N 0 0 225.332 2.123 10 0 BEAERN CCCCN1C(=S)N=NC1c1cnoc1 ZINC000685950246 538893351 /nfs/dbraw/zinc/89/33/51/538893351.db2.gz UCEUYKDZRLLGBO-UHFFFAOYSA-N 0 0 224.289 2.022 10 0 BEAERN CCOCCN1C(=S)N=NC1C(C)(C)CC ZINC000685950112 538893631 /nfs/dbraw/zinc/89/36/31/538893631.db2.gz NJWLXBBUDUZSDQ-UHFFFAOYSA-N 0 0 243.376 2.291 10 0 BEAERN Cc1c(N)cnn1CCCOCc1ccccc1 ZINC000685951028 538894376 /nfs/dbraw/zinc/89/43/76/538894376.db2.gz AYFWRSUOUZKDDW-UHFFFAOYSA-N 0 0 245.326 2.381 10 0 BEAERN C[C@H](COCc1ccccc1)Cn1ccc(N)n1 ZINC000685951075 538894783 /nfs/dbraw/zinc/89/47/83/538894783.db2.gz HVNWTKWTDFSMKF-LBPRGKRZSA-N 0 0 245.326 2.318 10 0 BEAERN CCC1(C)CC[NH+](C[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000685950819 538894829 /nfs/dbraw/zinc/89/48/29/538894829.db2.gz ZODMFFZMAZNXFY-MNOVXSKESA-N 0 0 225.332 2.219 10 0 BEAERN COC(=O)[C@@H]1Cc2c(cc(C)cc2Cl)O1 ZINC000685951495 538894995 /nfs/dbraw/zinc/89/49/95/538894995.db2.gz AQVAPTOQBXLSMP-JTQLQIEISA-N 0 0 226.659 2.125 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H](C)[C@@H](C)CC ZINC000685952927 538895494 /nfs/dbraw/zinc/89/54/94/538895494.db2.gz HENYVYZDTCBJGH-YUMQZZPRSA-N 0 0 225.292 2.131 10 0 BEAERN C[C@@H](CCO)NC(=O)Nc1ccsc1Cl ZINC000189394104 357636509 /nfs/dbraw/zinc/63/65/09/357636509.db2.gz YHADFUHSQQBQEZ-LURJTMIESA-N 0 0 248.735 2.294 10 0 BEAERN CC(C)N(C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000190656043 357720187 /nfs/dbraw/zinc/72/01/87/357720187.db2.gz HDRHDZIDANCRLW-RYUDHWBXSA-N 0 0 240.347 2.090 10 0 BEAERN NC(=O)c1ccc(-c2cc(Cl)ccc2N)[nH]1 ZINC000042920116 181292382 /nfs/dbraw/zinc/29/23/82/181292382.db2.gz OSVDASPOJSNGSL-UHFFFAOYSA-N 0 0 235.674 2.016 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC=CCC1 ZINC000190246264 357697063 /nfs/dbraw/zinc/69/70/63/357697063.db2.gz SCDQBAGYJWKIMP-AVGNSLFASA-N 0 0 237.343 2.274 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CCCO[C@H]1C)C(C)C ZINC000191897332 357802919 /nfs/dbraw/zinc/80/29/19/357802919.db2.gz JPAOZRNHVZFBBG-NWDGAFQWSA-N 0 0 227.348 2.447 10 0 BEAERN CSCCCCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191923361 357805243 /nfs/dbraw/zinc/80/52/43/357805243.db2.gz MVVFWHHQXAXXFC-GHMZBOCLSA-N 0 0 245.388 2.061 10 0 BEAERN C[C@H](OCC1CC1)C(=O)N1CCCC1(C)C ZINC000102920206 357948660 /nfs/dbraw/zinc/94/86/60/357948660.db2.gz QHVJDNRJXKUSSL-JTQLQIEISA-N 0 0 225.332 2.203 10 0 BEAERN COc1cc2nc(SC)n(C)c2cc1OC ZINC000051092185 357957779 /nfs/dbraw/zinc/95/77/79/357957779.db2.gz GLYCCYATLZEFTC-UHFFFAOYSA-N 0 0 238.312 2.312 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000075528301 325299426 /nfs/dbraw/zinc/29/94/26/325299426.db2.gz GLUKMKWIFBNVPQ-XVKPBYJWSA-N 0 0 209.676 2.478 10 0 BEAERN C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000036134224 358012366 /nfs/dbraw/zinc/01/23/66/358012366.db2.gz ZUQFYZUJPUDSRU-MWLCHTKSSA-N 0 0 238.718 2.372 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000103385189 358045726 /nfs/dbraw/zinc/04/57/26/358045726.db2.gz AGNHEYSORONOCQ-MRVPVSSYSA-N 0 0 243.253 2.210 10 0 BEAERN Cc1cccc([C@@H](NN)C(F)(F)F)c1 ZINC000169052525 358098774 /nfs/dbraw/zinc/09/87/74/358098774.db2.gz BCIIDRRIWJXNHH-MRVPVSSYSA-N 0 0 204.195 2.062 10 0 BEAERN CCOC1CCN(c2ccccc2N)CC1 ZINC000020267269 535400979 /nfs/dbraw/zinc/40/09/79/535400979.db2.gz KEVFLHSLAWGTCI-UHFFFAOYSA-N 0 0 220.316 2.274 10 0 BEAERN CCCOc1ccccc1CC(=O)COC ZINC000584627646 358115582 /nfs/dbraw/zinc/11/55/82/358115582.db2.gz LPIXYCAZLHWJDE-UHFFFAOYSA-N 0 0 222.284 2.233 10 0 BEAERN CNC(=O)[C@@H]1CC12C1CC3CC(C1)CC2C3 ZINC000038917653 358212029 /nfs/dbraw/zinc/21/20/29/358212029.db2.gz YMOHCAFUUJDHFN-WMJKOLINSA-N 0 0 219.328 2.195 10 0 BEAERN Cc1nc2c(cc1Br)ncn2C ZINC000223775423 358231491 /nfs/dbraw/zinc/23/14/91/358231491.db2.gz TUWHEEGSQTUKHL-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN C=C(c1ccccc1O)n1ccc(=O)cc1 ZINC000039339711 358222834 /nfs/dbraw/zinc/22/28/34/358222834.db2.gz GFZDQMMRFVYIQS-UHFFFAOYSA-N 0 0 213.236 2.073 10 0 BEAERN C=C(OC(=O)N(C)C)c1ccc(F)cc1 ZINC000584613541 358277810 /nfs/dbraw/zinc/27/78/10/358277810.db2.gz PSBPLKGBJKXHDF-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN COc1ccc(CN2CCCC=N2)cc1 ZINC000584613654 358278208 /nfs/dbraw/zinc/27/82/08/358278208.db2.gz VFUVUNONGUMMFC-UHFFFAOYSA-N 0 0 204.273 2.277 10 0 BEAERN Cc1nc(Cl)nc(Cc2ccccc2)n1 ZINC000584614983 358279425 /nfs/dbraw/zinc/27/94/25/358279425.db2.gz FMTHDKAWBLHINA-UHFFFAOYSA-N 0 0 219.675 2.424 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000134612812 325367916 /nfs/dbraw/zinc/36/79/16/325367916.db2.gz VAZURHVFMLEBHZ-QWRGUYRKSA-N 0 0 242.363 2.145 10 0 BEAERN CCOCc1cc(Br)cc(CO)c1 ZINC000584595799 358253352 /nfs/dbraw/zinc/25/33/52/358253352.db2.gz XFUFPXOSDMURJK-UHFFFAOYSA-N 0 0 245.116 2.478 10 0 BEAERN CCOC(=O)[C@H](C)Cc1cccc(N)c1C ZINC000584596252 358253740 /nfs/dbraw/zinc/25/37/40/358253740.db2.gz JBBIGCVFSGFSQB-SECBINFHSA-N 0 0 221.300 2.319 10 0 BEAERN NN(C[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000584596152 358254104 /nfs/dbraw/zinc/25/41/04/358254104.db2.gz UAFAFRHGEPUPRV-CQSZACIVSA-N 0 0 234.343 2.228 10 0 BEAERN CCOC(=O)C[C@H](OCC)c1cccc(O)c1 ZINC000584596759 358254553 /nfs/dbraw/zinc/25/45/53/358254553.db2.gz LXVPSZDSQRWOKR-LBPRGKRZSA-N 0 0 238.283 2.423 10 0 BEAERN CC(=O)CCCc1ccc2c(c1)OCO2 ZINC000041214543 358255106 /nfs/dbraw/zinc/25/51/06/358255106.db2.gz NHFCIHGSCLAQQY-UHFFFAOYSA-N 0 0 206.241 2.327 10 0 BEAERN CO[C@H]1Cc2c(ccc(F)c2Br)O1 ZINC000584597901 358255788 /nfs/dbraw/zinc/25/57/88/358255788.db2.gz YNVAGVFNKOCLMH-MRVPVSSYSA-N 0 0 247.063 2.496 10 0 BEAERN COc1cccc([C@@]23C[C@H](O)[C@@H](CCC2)C3=O)c1 ZINC000584599789 358256430 /nfs/dbraw/zinc/25/64/30/358256430.db2.gz OROWMLHBZSKBFJ-IPYPFGDCSA-N 0 0 246.306 2.067 10 0 BEAERN COc1ccc(COCC2CC(CO)C2)cc1 ZINC000584600416 358257111 /nfs/dbraw/zinc/25/71/11/358257111.db2.gz LUSLJHVQGRUHPI-UHFFFAOYSA-N 0 0 236.311 2.230 10 0 BEAERN COc1cc(OC)c([C@@H]2CCC2=O)cc1OC ZINC000584600684 358257771 /nfs/dbraw/zinc/25/77/71/358257771.db2.gz WULQRBTZFCNNDE-QMMMGPOBSA-N 0 0 236.267 2.159 10 0 BEAERN CCC[S@](=O)(=S)OC1CCCCC1 ZINC000584601366 358258134 /nfs/dbraw/zinc/25/81/34/358258134.db2.gz JPAAFIUGHGHYSJ-CYBMUJFWSA-N 0 0 222.375 2.407 10 0 BEAERN CC[C@@H]1c2cc3c(cc2COC1=O)CCC3=O ZINC000584601507 358258593 /nfs/dbraw/zinc/25/85/93/358258593.db2.gz ZEEBKMMICLURIG-SNVBAGLBSA-N 0 0 230.263 2.366 10 0 BEAERN CCO[C@H](O)[C@@H]1[C@H](C)[C@@H]1Oc1ccccc1 ZINC000584601701 358258891 /nfs/dbraw/zinc/25/88/91/358258891.db2.gz AQJOHRNUQGRIQP-RYDUCSDGSA-N 0 0 222.284 2.055 10 0 BEAERN CCO[P@](N)(=O)c1c(C)cc(OC)cc1C ZINC000584603329 358261871 /nfs/dbraw/zinc/26/18/71/358261871.db2.gz XDIMQKVDUARGLW-MRXNPFEDSA-N 0 0 243.243 2.126 10 0 BEAERN CC(=O)n1ncc2nc(OC3(C)CC3)ccc21 ZINC000584603526 358262227 /nfs/dbraw/zinc/26/22/27/358262227.db2.gz BSGBNYLOFWVHLZ-UHFFFAOYSA-N 0 0 231.255 2.023 10 0 BEAERN c1ccc2c(c1)ccnc2OCCCN1CC1 ZINC000584606193 358265172 /nfs/dbraw/zinc/26/51/72/358265172.db2.gz LWZGARAQYIHPBZ-UHFFFAOYSA-N 0 0 228.295 2.319 10 0 BEAERN C[C@H](O)C[C@H](O)c1ccccc1Cl ZINC000584607157 358267319 /nfs/dbraw/zinc/26/73/19/358267319.db2.gz AHBMKWKEAYJYDR-XVKPBYJWSA-N 0 0 200.665 2.144 10 0 BEAERN COC(=O)c1c(C)oc2cc(F)ccc2c1=O ZINC000584607032 358267351 /nfs/dbraw/zinc/26/73/51/358267351.db2.gz SBAHXUMSPOAGQP-UHFFFAOYSA-N 0 0 236.198 2.027 10 0 BEAERN CN1C(=S)N=CC[C@@H]1c1ccccc1 ZINC000584607544 358267737 /nfs/dbraw/zinc/26/77/37/358267737.db2.gz NTTAIWMLYZPZCD-SNVBAGLBSA-N 0 0 204.298 2.061 10 0 BEAERN CC(C)Cc1ccc(C2=NNC(=O)CC2)cc1 ZINC000041256300 358268112 /nfs/dbraw/zinc/26/81/12/358268112.db2.gz FFRYDTUZXRLCNG-UHFFFAOYSA-N 0 0 230.311 2.499 10 0 BEAERN CSCC[C@H]1N=C(C(C)(C)C)OC1=O ZINC000584607658 358268583 /nfs/dbraw/zinc/26/85/83/358268583.db2.gz ZXMHCDOTKOHROV-SSDOTTSWSA-N 0 0 215.318 2.110 10 0 BEAERN Cc1ccccc1[S@](=O)NC(C)(C)C ZINC000584607798 358268666 /nfs/dbraw/zinc/26/86/66/358268666.db2.gz GVDBBPUDYRMLEV-AWEZNQCLSA-N 0 0 211.330 2.406 10 0 BEAERN COc1ccc2c(c1)C(=O)O[C@@H](C)[C@H]2C ZINC000584608988 358269830 /nfs/dbraw/zinc/26/98/30/358269830.db2.gz PMFLOFNRGVOXKM-SFYZADRCSA-N 0 0 206.241 2.358 10 0 BEAERN C[C@@H]1C[C@@H](OCc2ccccc2)OC1=O ZINC000584608980 358269946 /nfs/dbraw/zinc/26/99/46/358269946.db2.gz OPMWHSPOOCHNMH-KOLCDFICSA-N 0 0 206.241 2.112 10 0 BEAERN CC1=C(N)[C@@H](c2ccc(Cl)cc2)OC1=O ZINC000584610570 358273884 /nfs/dbraw/zinc/27/38/84/358273884.db2.gz KKNNRHFLZVIUMG-SNVBAGLBSA-N 0 0 223.659 2.171 10 0 BEAERN C/C=C/[S@@](=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC000584610649 358273891 /nfs/dbraw/zinc/27/38/91/358273891.db2.gz CAQWAXNRRGUXOI-JRKDZILXSA-N 0 0 247.360 2.182 10 0 BEAERN CC(=O)O/C(Cl)=C/OCc1ccccn1 ZINC000584611044 358274858 /nfs/dbraw/zinc/27/48/58/358274858.db2.gz KZFXXHUTTBJSOY-JXMROGBWSA-N 0 0 227.647 2.199 10 0 BEAERN C=Cc1cnnn1[C@@H](OC)c1ccccc1 ZINC000584619828 358286300 /nfs/dbraw/zinc/28/63/00/358286300.db2.gz FJASIQKPVMWZQH-LBPRGKRZSA-N 0 0 215.256 2.114 10 0 BEAERN COc1ccc2c(ccc(OC)c2CO)c1 ZINC000584620682 358288019 /nfs/dbraw/zinc/28/80/19/358288019.db2.gz OZOMEPWTTKHDEM-UHFFFAOYSA-N 0 0 218.252 2.349 10 0 BEAERN [NH3+]Cc1ccc(-c2ccc3[nH]c(=O)oc3c2)cn1 ZINC000584621481 358288778 /nfs/dbraw/zinc/28/87/78/358288778.db2.gz NVDSFUQGJZMCNP-UHFFFAOYSA-N 0 0 241.250 2.054 10 0 BEAERN O=C1C[C@@H]([C@@H]2CCOC2)c2ccccc2N1 ZINC000584621628 358289526 /nfs/dbraw/zinc/28/95/26/358289526.db2.gz AAAJPACZOCJWEX-KOLCDFICSA-N 0 0 217.268 2.149 10 0 BEAERN COc1cc2c(cc1OC)[C@@H](C)N(C#N)CC2 ZINC000584621634 358289581 /nfs/dbraw/zinc/28/95/81/358289581.db2.gz FZSPAVLFUJBJDD-SECBINFHSA-N 0 0 232.283 2.104 10 0 BEAERN C[Si](C)(C)COCC(F)(F)C(F)(F)CO ZINC000584622325 358290174 /nfs/dbraw/zinc/29/01/74/358290174.db2.gz GBWUSAAFROIEBW-UHFFFAOYSA-N 0 0 248.292 2.143 10 0 BEAERN COP(=O)(OC)c1cc2ccccc2n1C ZINC000584622457 358290516 /nfs/dbraw/zinc/29/05/16/358290516.db2.gz WJUTZDUHOCEDKK-UHFFFAOYSA-N 0 0 239.211 2.290 10 0 BEAERN CCCCOC(=O)/C=C/OC(=O)c1ccco1 ZINC000584631373 358292639 /nfs/dbraw/zinc/29/26/39/358292639.db2.gz PYVNQFWSIUZGTC-RMKNXTFCSA-N 0 0 238.239 2.293 10 0 BEAERN COc1ccc(Cl)c(OC(=O)N(C)C)c1 ZINC000584624641 358293132 /nfs/dbraw/zinc/29/31/32/358293132.db2.gz ZJOFGVNDJDYGHS-UHFFFAOYSA-N 0 0 229.663 2.409 10 0 BEAERN CCO[C@H]1C=Cc2ccc(OC)cc2O1 ZINC000584625279 358294168 /nfs/dbraw/zinc/29/41/68/358294168.db2.gz PASYLHFZNSVCQL-GFCCVEGCSA-N 0 0 206.241 2.463 10 0 BEAERN Cc1ccc2ccc(-c3cc[nH]n3)nc2n1 ZINC000584625916 358294856 /nfs/dbraw/zinc/29/48/56/358294856.db2.gz DERMBEMOBDYCLU-UHFFFAOYSA-N 0 0 210.240 2.328 10 0 BEAERN CCOC(=O)Cc1ccc(OC(C)(F)F)cn1 ZINC000584628374 358297983 /nfs/dbraw/zinc/29/79/83/358297983.db2.gz CKJICDVUTUTTCX-UHFFFAOYSA-N 0 0 245.225 2.179 10 0 BEAERN OCc1cc(OC2Cc3ccccc3C2)ccn1 ZINC000584629484 358298371 /nfs/dbraw/zinc/29/83/71/358298371.db2.gz TYCKXXBENWQDMW-UHFFFAOYSA-N 0 0 241.290 2.120 10 0 BEAERN CC[C@H](Nc1ccc(OC)cc1)C(C)=O ZINC000584629673 358298940 /nfs/dbraw/zinc/29/89/40/358298940.db2.gz NZOLNSQACPFPTJ-LBPRGKRZSA-N 0 0 207.273 2.475 10 0 BEAERN C[Si](C)(C)COC[C@H]1CCC(=O)C1 ZINC000584630067 358299753 /nfs/dbraw/zinc/29/97/53/358299753.db2.gz HDWTYMTWDXXVIS-VIFPVBQESA-N 0 0 200.354 2.250 10 0 BEAERN Nc1n[nH]c2sc3c(c12)-c1ccccc1C3=O ZINC000584630876 358301755 /nfs/dbraw/zinc/30/17/55/358301755.db2.gz CILBXBXWPDADDQ-UHFFFAOYSA-N 0 0 241.275 2.418 10 0 BEAERN Cc1cc(Oc2ccccn2)ccc1NN ZINC000584649679 358304259 /nfs/dbraw/zinc/30/42/59/358304259.db2.gz IEPKFCKSBRFLHB-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Clc1cnc2c(cnnc2Cl)c1 ZINC000584649068 358304310 /nfs/dbraw/zinc/30/43/10/358304310.db2.gz UXSYNILZLUXGLI-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN Cc1nc(-c2ccccc2)nc2c1CCC(=O)N2 ZINC000584649977 358304630 /nfs/dbraw/zinc/30/46/30/358304630.db2.gz AFQKQJOLUCCCJJ-UHFFFAOYSA-N 0 0 239.278 2.337 10 0 BEAERN CN1C(=O)c2ccccc2C2(CCCC2)C1=O ZINC000584651074 358305653 /nfs/dbraw/zinc/30/56/53/358305653.db2.gz ACJSWKKQZWGSIT-UHFFFAOYSA-N 0 0 229.279 2.111 10 0 BEAERN CC(=O)[C@H]1C[C@@]12Cc1ccccc1C2=O ZINC000584651194 358306156 /nfs/dbraw/zinc/30/61/56/358306156.db2.gz WMDQLOOUSBNWTK-YPMHNXCESA-N 0 0 200.237 2.021 10 0 BEAERN O=C1CC2(CC[C@H]3CCCC[C@H]3C2)CC(=O)N1 ZINC000584652593 358307529 /nfs/dbraw/zinc/30/75/29/358307529.db2.gz UTYQTGUYWXBRNF-MNOVXSKESA-N 0 0 235.327 2.400 10 0 BEAERN CC[P@](=O)(CCCO)c1ccccc1 ZINC000584652281 358307682 /nfs/dbraw/zinc/30/76/82/358307682.db2.gz XJKPCAKRABDNEF-AWEZNQCLSA-N 0 0 212.229 2.077 10 0 BEAERN COc1ccc([C@H]2CC2(OC)OC)cc1 ZINC000584657027 358308702 /nfs/dbraw/zinc/30/87/02/358308702.db2.gz USTWENOJZYAENZ-LLVKDONJSA-N 0 0 208.257 2.172 10 0 BEAERN CCOC(=O)CC(Cl)(Cl)OCC ZINC000584657561 358309302 /nfs/dbraw/zinc/30/93/02/358309302.db2.gz DGHVHNJPGLWONY-UHFFFAOYSA-N 0 0 215.076 2.108 10 0 BEAERN C[C@@H]1N(N=O)C(=O)O[C@]1(C)C(C)(C)C ZINC000584657451 358309351 /nfs/dbraw/zinc/30/93/51/358309351.db2.gz GVEPJPAVOUVCKM-RCOVLWMOSA-N 0 0 200.238 2.313 10 0 BEAERN C[C@@H]1CCC=CN1S(=O)(=O)c1ccccc1 ZINC000584616559 358281505 /nfs/dbraw/zinc/28/15/05/358281505.db2.gz AQRAGTOLIISSOV-LLVKDONJSA-N 0 0 237.324 2.373 10 0 BEAERN CCCc1ncc(F)c(Br)n1 ZINC000584643581 358328659 /nfs/dbraw/zinc/32/86/59/358328659.db2.gz QQNXWMGPCZTOPH-UHFFFAOYSA-N 0 0 219.057 2.331 10 0 BEAERN CC(C)(C)OC(=O)[C@]1(Cl)CCCCC1=O ZINC000584643617 358328759 /nfs/dbraw/zinc/32/87/59/358328759.db2.gz DCDDYWDVVIRNKM-NSHDSACASA-N 0 0 232.707 2.449 10 0 BEAERN CC(C)(C)C(=O)N=[S@@](C)(=O)c1ccccn1 ZINC000584643969 358329524 /nfs/dbraw/zinc/32/95/24/358329524.db2.gz VAMZEHPGPQBWFO-INIZCTEOSA-N 0 0 240.328 2.111 10 0 BEAERN COc1cc(O)cc(OC(=O)C(C)(C)C)c1 ZINC000584632621 358315663 /nfs/dbraw/zinc/31/56/63/358315663.db2.gz NFXLOGQDZZYUJX-UHFFFAOYSA-N 0 0 224.256 2.352 10 0 BEAERN C/C=C/CNC(=O)c1cc(Cl)c(C)[nH]c1=O ZINC000584634134 358318557 /nfs/dbraw/zinc/31/85/57/358318557.db2.gz ZWCPVVFEBWQCNY-ONEGZZNKSA-N 0 0 240.690 2.055 10 0 BEAERN Cn1cnc2c1c(F)c(F)c(F)c2F ZINC000584634601 358318835 /nfs/dbraw/zinc/31/88/35/358318835.db2.gz OGQLTIZMEHMDMV-UHFFFAOYSA-N 0 0 204.126 2.130 10 0 BEAERN Nc1ccc2c(c1)C(=O)N[C@H](c1ccccc1)N2 ZINC000584635180 358319448 /nfs/dbraw/zinc/31/94/48/358319448.db2.gz YBJRCDZPZZAXNJ-CYBMUJFWSA-N 0 0 239.278 2.123 10 0 BEAERN O=C1CC[C@@H](CF)N1c1cccc(F)c1 ZINC000584636748 358321690 /nfs/dbraw/zinc/32/16/90/358321690.db2.gz ZJSKRNTTXBNBKG-JTQLQIEISA-N 0 0 211.211 2.291 10 0 BEAERN C[C@H]1C[C@H](C(=O)NC(C)(C)CO)CC(C)(C)C1 ZINC000180178271 366389877 /nfs/dbraw/zinc/38/98/77/366389877.db2.gz JFRSFAVSKYIOGF-QWRGUYRKSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1nc(-c2occc2Cl)cc2ncnn21 ZINC000584640267 358326419 /nfs/dbraw/zinc/32/64/19/358326419.db2.gz VMNPBHNJNQFLQG-UHFFFAOYSA-N 0 0 234.646 2.346 10 0 BEAERN O=c1ccc2cc(Cn3ccnc3)c[nH]c-2c1 ZINC000584640510 358326651 /nfs/dbraw/zinc/32/66/51/358326651.db2.gz TXKCBJRPPZBXGL-UHFFFAOYSA-N 0 0 225.251 2.185 10 0 BEAERN CN(C1=N[C@@]12CCSC2)c1ccccc1 ZINC000584642350 358328023 /nfs/dbraw/zinc/32/80/23/358328023.db2.gz GDCZWDWWGLOGMF-GFCCVEGCSA-N 0 0 218.325 2.411 10 0 BEAERN NC(=O)c1ccc(F)c(N[C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000037293395 181297169 /nfs/dbraw/zinc/29/71/69/181297169.db2.gz AKHBMBWOCZRKID-UBHAPETDSA-N 0 0 246.285 2.301 10 0 BEAERN Cc1nc([C@H](C)NCc2ccno2)cs1 ZINC000230639739 491130439 /nfs/dbraw/zinc/13/04/39/491130439.db2.gz MKWYMHNMRAFWKI-ZETCQYMHSA-N 0 0 223.301 2.290 10 0 BEAERN NC(=O)c1ccc(Cl)c(NC2CCC2)c1 ZINC000044480849 181297362 /nfs/dbraw/zinc/29/73/62/181297362.db2.gz BVSUYAQGYZXEAV-UHFFFAOYSA-N 0 0 224.691 2.403 10 0 BEAERN CCC[C@H]1SCCN1C(=O)CCSC ZINC000135036529 325390091 /nfs/dbraw/zinc/39/00/91/325390091.db2.gz LYUKAVIRBVLEHX-SNVBAGLBSA-N 0 0 233.402 2.441 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCC1(C)C ZINC000078321635 358446879 /nfs/dbraw/zinc/44/68/79/358446879.db2.gz NDNSARXHWHGWPF-KXUCPTDWSA-N 0 0 210.321 2.273 10 0 BEAERN CCOC(=O)c1c(C)cn2ccccc12 ZINC000032197507 358448849 /nfs/dbraw/zinc/44/88/49/358448849.db2.gz AEVIPPKEGKHLRI-UHFFFAOYSA-N 0 0 203.241 2.424 10 0 BEAERN C=CCCn1cnc2c1ncnc2Cl ZINC000207373653 491133160 /nfs/dbraw/zinc/13/31/60/491133160.db2.gz XVGZWFNRFGMUDY-UHFFFAOYSA-N 0 0 208.652 2.056 10 0 BEAERN CC(C)c1csc(NC(=O)c2cn[nH]c2)n1 ZINC000042272059 358520785 /nfs/dbraw/zinc/52/07/85/358520785.db2.gz ACKREMURJQRPAI-UHFFFAOYSA-N 0 0 236.300 2.242 10 0 BEAERN COc1c(OC)c2c(C)cccc2oc1=O ZINC000013334495 358433509 /nfs/dbraw/zinc/43/35/09/358433509.db2.gz WPPMKRCAZSGYLA-UHFFFAOYSA-N 0 0 220.224 2.119 10 0 BEAERN CCCC(=O)NCC(=O)Nc1ccc(C)c(C)c1 ZINC000045884414 358566360 /nfs/dbraw/zinc/56/63/60/358566360.db2.gz XCVKAURNOWSJRG-UHFFFAOYSA-N 0 0 248.326 2.158 10 0 BEAERN CCCC[C@@H](CC)C(=O)NC(C)(C)[C@H](C)O ZINC000128479805 358576458 /nfs/dbraw/zinc/57/64/58/358576458.db2.gz IODMTLYKZUNDEF-WDEREUQCSA-N 0 0 229.364 2.478 10 0 BEAERN CN(C[C@H]1CCCC1=O)c1ccccc1 ZINC000053925108 358580946 /nfs/dbraw/zinc/58/09/46/358580946.db2.gz HVMKOJGOOFNXFH-LLVKDONJSA-N 0 0 203.285 2.492 10 0 BEAERN C[C@@H](N[C@@H](C)c1nccn1C)c1ccoc1 ZINC000132319476 491135138 /nfs/dbraw/zinc/13/51/38/491135138.db2.gz AUHCHJKZVZDBIN-ZJUUUORDSA-N 0 0 219.288 2.425 10 0 BEAERN CCCCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000131213473 358666277 /nfs/dbraw/zinc/66/62/77/358666277.db2.gz PCEQBHAYINBYRQ-PHIMTYICSA-N 0 0 213.321 2.203 10 0 BEAERN CCc1cc(C(=O)NCCCOC)oc1CC ZINC000131311088 358671721 /nfs/dbraw/zinc/67/17/21/358671721.db2.gz DMJRHWXFJQQUFT-UHFFFAOYSA-N 0 0 239.315 2.171 10 0 BEAERN CC(C)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000049268827 358678786 /nfs/dbraw/zinc/67/87/86/358678786.db2.gz SBPYAXMPSPWIOM-OLZOCXBDSA-N 0 0 232.327 2.498 10 0 BEAERN O=C1c2ccccc2N[C@@H](C2CC2)N1C1CC1 ZINC000049283144 358679884 /nfs/dbraw/zinc/67/98/84/358679884.db2.gz VNAQUIZRWBOEQR-CYBMUJFWSA-N 0 0 228.295 2.453 10 0 BEAERN CCCN(CCC)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132312920 358718519 /nfs/dbraw/zinc/71/85/19/358718519.db2.gz AAWFAMRFQYQWNZ-NSHDSACASA-N 0 0 249.358 2.478 10 0 BEAERN C[C@H]1C[C@H]1CNc1cc(Br)ncn1 ZINC000160807658 358719142 /nfs/dbraw/zinc/71/91/42/358719142.db2.gz FXALUDGXHSEHHK-BQBZGAKWSA-N 0 0 242.120 2.307 10 0 BEAERN C[C@@H]1C[C@H]1CNc1cc(Br)ncn1 ZINC000160807509 358719619 /nfs/dbraw/zinc/71/96/19/358719619.db2.gz FXALUDGXHSEHHK-RQJHMYQMSA-N 0 0 242.120 2.307 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)Cc2cccc(O)c2)C1 ZINC000134976911 358813905 /nfs/dbraw/zinc/81/39/05/358813905.db2.gz YSQDCXMOPJYTPE-ZDUSSCGKSA-N 0 0 247.338 2.439 10 0 BEAERN COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000135148533 358822252 /nfs/dbraw/zinc/82/22/52/358822252.db2.gz HEUNTEZMGIVPCE-ZJUUUORDSA-N 0 0 239.290 2.274 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)CCO2)o1 ZINC000133957765 358774311 /nfs/dbraw/zinc/77/43/11/358774311.db2.gz XQSTWUZGQYXJCA-NDMJEZRESA-N 0 0 249.310 2.144 10 0 BEAERN COC(=O)c1cc2c(ccnc2Cl)n1C ZINC000211762171 358777409 /nfs/dbraw/zinc/77/74/09/358777409.db2.gz ULDCRYQGFQNROT-UHFFFAOYSA-N 0 0 224.647 2.013 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134247705 358785040 /nfs/dbraw/zinc/78/50/40/358785040.db2.gz SIZUSJXBQALHPY-UWVGGRQHSA-N 0 0 235.331 2.087 10 0 BEAERN CCCc1cc(NC(=O)c2oc(C)nc2C)n[nH]1 ZINC000134826066 358807923 /nfs/dbraw/zinc/80/79/23/358807923.db2.gz UPAGAIATFUXQIJ-UHFFFAOYSA-N 0 0 248.286 2.219 10 0 BEAERN CCCCC[S@@](=O)Cc1nccn1CC ZINC000180530618 366497109 /nfs/dbraw/zinc/49/71/09/366497109.db2.gz KDOHQPKNODIAAA-OAHLLOKOSA-N 0 0 228.361 2.342 10 0 BEAERN O=C(CC(F)(F)F)N[C@H]1COc2ccccc21 ZINC000058728009 358913559 /nfs/dbraw/zinc/91/35/59/358913559.db2.gz ZSMSBBKPVLFSEU-QMMMGPOBSA-N 0 0 245.200 2.189 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)c1ccco1 ZINC000058725903 358913804 /nfs/dbraw/zinc/91/38/04/358913804.db2.gz DBJKJABKIUREEN-JTQLQIEISA-N 0 0 229.235 2.143 10 0 BEAERN CC(C)(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000058725906 358913875 /nfs/dbraw/zinc/91/38/75/358913875.db2.gz SHDPEZRVEQLYRT-SNVBAGLBSA-N 0 0 219.284 2.282 10 0 BEAERN C[C@@H](SC[C@H](O)CO)c1cc(F)ccc1F ZINC000177443889 134298056 /nfs/dbraw/zinc/29/80/56/134298056.db2.gz XGEAJAQCIVOEBK-VXNVDRBHSA-N 0 0 248.294 2.112 10 0 BEAERN O[C@]1(c2c(F)cccc2Cl)CCOC1 ZINC000306151947 358917841 /nfs/dbraw/zinc/91/78/41/358917841.db2.gz HYJABFVEQWSYIG-SNVBAGLBSA-N 0 0 216.639 2.087 10 0 BEAERN CCn1ccnc1C[S@](=O)CCC(C)C ZINC000177296105 134299265 /nfs/dbraw/zinc/29/92/65/134299265.db2.gz MKWMZYUMPKTIJN-OAHLLOKOSA-N 0 0 228.361 2.198 10 0 BEAERN C[C@@H]1OCC[C@H]1Sc1nsnc1Cl ZINC000300335248 358962436 /nfs/dbraw/zinc/96/24/36/358962436.db2.gz BUBLYAHDHVXULQ-CRCLSJGQSA-N 0 0 236.749 2.461 10 0 BEAERN C[C@@H]1OCC[C@H]1S[C@H]1CCC(=O)C1 ZINC000300337303 358963119 /nfs/dbraw/zinc/96/31/19/358963119.db2.gz MVUJODDSPXVLEJ-UJNFCWOMSA-N 0 0 200.303 2.019 10 0 BEAERN COc1ccsc1C(=O)[C@@H]1CO[C@@H](C)C1 ZINC000161988003 358970037 /nfs/dbraw/zinc/97/00/37/358970037.db2.gz COEMHCYJFIZSDJ-YUMQZZPRSA-N 0 0 226.297 2.364 10 0 BEAERN C[C@@H]1CC[C@H]1Nc1cc(Br)ncn1 ZINC000306163088 358972531 /nfs/dbraw/zinc/97/25/31/358972531.db2.gz GKBPPXNUQVYRTL-RNFRBKRXSA-N 0 0 242.120 2.450 10 0 BEAERN CCN(CC)C(=O)N[C@H]1COc2ccccc21 ZINC000060586549 358927262 /nfs/dbraw/zinc/92/72/62/358927262.db2.gz ZKEPYUPJNKBRMB-NSHDSACASA-N 0 0 234.299 2.172 10 0 BEAERN O=C(Nc1ccccc1)[C@H]1CCCn2ccnc21 ZINC000177783659 134299879 /nfs/dbraw/zinc/29/98/79/134299879.db2.gz OKVPQZNUZOCRKO-LBPRGKRZSA-N 0 0 241.294 2.399 10 0 BEAERN C[C@@H]1C(=O)CCN(OCc2ccccc2)[C@H]1C ZINC000306173068 358980223 /nfs/dbraw/zinc/98/02/23/358980223.db2.gz LHUQGKJUQCKCLD-RYUDHWBXSA-N 0 0 233.311 2.418 10 0 BEAERN CC[C@@H]1OCC[C@H]1C(=O)c1cccnc1 ZINC000300383008 358980969 /nfs/dbraw/zinc/98/09/69/358980969.db2.gz OVMPLANLJZDFMI-MNOVXSKESA-N 0 0 205.257 2.079 10 0 BEAERN Clc1ncnc(N2CCC2)c1Br ZINC000306178032 358986672 /nfs/dbraw/zinc/98/66/72/358986672.db2.gz QLYZBNGCSVRWRA-UHFFFAOYSA-N 0 0 248.511 2.103 10 0 BEAERN C[C@H]1SCC[C@@H]1NC1N=NC(=S)S1 ZINC000306179426 358992363 /nfs/dbraw/zinc/99/23/63/358992363.db2.gz GYIBDVVLBXIJNI-UHNVWZDZSA-N 0 0 233.387 2.133 10 0 BEAERN CCc1cc(N[C@H]2CCCC[C@@H]2CO)ncn1 ZINC000231143378 358994907 /nfs/dbraw/zinc/99/49/07/358994907.db2.gz DNMHXLKJZCPWGI-PWSUYJOCSA-N 0 0 235.331 2.002 10 0 BEAERN CC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000246741355 359161042 /nfs/dbraw/zinc/16/10/42/359161042.db2.gz QSOZMTYSAFHANX-OUJBWJOFSA-N 0 0 233.311 2.466 10 0 BEAERN CCOC(=O)[C@@H](C)N1CCC[C@H]1c1ccco1 ZINC000247553437 359232755 /nfs/dbraw/zinc/23/27/55/359232755.db2.gz SUMGQCUWGSQVDU-MNOVXSKESA-N 0 0 237.299 2.368 10 0 BEAERN CCC(CC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247268340 359207964 /nfs/dbraw/zinc/20/79/64/359207964.db2.gz JTMQCCDPGLUWAN-YPMHNXCESA-N 0 0 240.391 2.268 10 0 BEAERN C[C@H](CCc1cccn1C)NC(=O)N[C@H]1C[C@H]1C ZINC000247399260 359218524 /nfs/dbraw/zinc/21/85/24/359218524.db2.gz HQISASNSWJSROY-WZRBSPASSA-N 0 0 249.358 2.054 10 0 BEAERN Fc1cc(OCc2cccnc2)ccn1 ZINC000306205251 359297153 /nfs/dbraw/zinc/29/71/53/359297153.db2.gz OGFHVZXBJPXPGO-UHFFFAOYSA-N 0 0 204.204 2.195 10 0 BEAERN O[C@H]1CCCC[C@H]1CSc1ncns1 ZINC000306212360 359306438 /nfs/dbraw/zinc/30/64/38/359306438.db2.gz VIQAJHVPYPRHGW-YUMQZZPRSA-N 0 0 230.358 2.181 10 0 BEAERN C[C@@H]1Sc2c(Cl)cncc2NC1=O ZINC000306225299 359355242 /nfs/dbraw/zinc/35/52/42/359355242.db2.gz FCPSMHPLNNOGCG-BYPYZUCNSA-N 0 0 214.677 2.168 10 0 BEAERN CC1(C)CC[C@@H]1NC1N=NC(=S)S1 ZINC000306217998 359329620 /nfs/dbraw/zinc/32/96/20/359329620.db2.gz NIWGMQYVYGNXSB-YFKPBYRVSA-N 0 0 215.347 2.427 10 0 BEAERN COc1ccc(-c2csc(N)n2)s1 ZINC000306217999 359329682 /nfs/dbraw/zinc/32/96/82/359329682.db2.gz NJMKRHWRNGXHSY-UHFFFAOYSA-N 0 0 212.299 2.462 10 0 BEAERN FC1(CNc2cc(Cl)cnn2)CC1 ZINC000306231145 359379663 /nfs/dbraw/zinc/37/96/63/359379663.db2.gz JOQFITGULHLDTR-UHFFFAOYSA-N 0 0 201.632 2.044 10 0 BEAERN Cc1cc(C[C@@]2(C)CCC(=O)N2)cs1 ZINC000306222358 359344507 /nfs/dbraw/zinc/34/45/07/359344507.db2.gz KKQHUAZKMFMJOT-LLVKDONJSA-N 0 0 209.314 2.268 10 0 BEAERN Fc1cnc(Cl)nc1N1CCC(F)(F)C1 ZINC000306237857 359399221 /nfs/dbraw/zinc/39/92/21/359399221.db2.gz PERJWJPSGQGKQF-UHFFFAOYSA-N 0 0 237.612 2.115 10 0 BEAERN O=C1NCCCN1Cc1ccsc1Cl ZINC000306250652 359455712 /nfs/dbraw/zinc/45/57/12/359455712.db2.gz YVFWDOGUUPIETN-UHFFFAOYSA-N 0 0 230.720 2.317 10 0 BEAERN OC[C@@H]1C[C@H]1Oc1ccccc1Br ZINC000306258254 359474067 /nfs/dbraw/zinc/47/40/67/359474067.db2.gz ZTNNJUSVJZQIBJ-OIBJUYFYSA-N 0 0 243.100 2.209 10 0 BEAERN F[C@@H]1CC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000306258293 359474892 /nfs/dbraw/zinc/47/48/92/359474892.db2.gz ZZNFZZNMOJKCGY-RNFRBKRXSA-N 0 0 215.659 2.433 10 0 BEAERN Nc1nnc(-c2csc(Cl)c2)o1 ZINC000306276928 359504707 /nfs/dbraw/zinc/50/47/07/359504707.db2.gz HGQLJTBUVQOTGS-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN O=C(NCCF)Nc1csc(Cl)c1 ZINC000306289211 359523090 /nfs/dbraw/zinc/52/30/90/359523090.db2.gz NZKYQQXHISNOGT-UHFFFAOYSA-N 0 0 222.672 2.493 10 0 BEAERN COc1[nH]ccc2c(Br)cnc1-2 ZINC000306294156 359531810 /nfs/dbraw/zinc/53/18/10/359531810.db2.gz BGAMXKUWGYYJLH-UHFFFAOYSA-N 0 0 227.061 2.286 10 0 BEAERN CCc1nc(C)cc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000283409446 359532252 /nfs/dbraw/zinc/53/22/52/359532252.db2.gz ASUHDHUAWSCCKD-MNOVXSKESA-N 0 0 235.331 2.327 10 0 BEAERN CCc1nc(C)cc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000283409442 359532773 /nfs/dbraw/zinc/53/27/73/359532773.db2.gz ASUHDHUAWSCCKD-GHMZBOCLSA-N 0 0 235.331 2.327 10 0 BEAERN OC[C@]1(Cc2cccs2)CCCCO1 ZINC000306306393 359588243 /nfs/dbraw/zinc/58/82/43/359588243.db2.gz JCWXZDOZKXFGHN-LLVKDONJSA-N 0 0 212.314 2.222 10 0 BEAERN Cc1cc(S[C@@H](C)CO)c(F)cc1N ZINC000306338158 359639150 /nfs/dbraw/zinc/63/91/50/359639150.db2.gz JAPFJZIIARPGDF-ZETCQYMHSA-N 0 0 215.293 2.189 10 0 BEAERN FC1(F)CC[C@@H](Nc2ncns2)C1 ZINC000306400907 359783201 /nfs/dbraw/zinc/78/32/01/359783201.db2.gz OAOSRANUJYHEMQ-RXMQYKEDSA-N 0 0 205.233 2.138 10 0 BEAERN O=C(NC1CCCC1)C(F)(F)Br ZINC000306403926 359786878 /nfs/dbraw/zinc/78/68/78/359786878.db2.gz UCXRJDRMYSFUCO-UHFFFAOYSA-N 0 0 242.063 2.033 10 0 BEAERN Cc1c(N)n[nH]c1-c1coc(Br)c1 ZINC000306405536 359793411 /nfs/dbraw/zinc/79/34/11/359793411.db2.gz WNXUOTMLXIUCHU-UHFFFAOYSA-N 0 0 242.076 2.323 10 0 BEAERN Nc1c(Br)cnn1[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306417757 359826176 /nfs/dbraw/zinc/82/61/76/359826176.db2.gz SNNDHMSXGSVMEP-GKROBHDKSA-N 0 0 242.120 2.199 10 0 BEAERN Cc1nc(C)c(F)c(NC2CC=CC2)n1 ZINC000309099519 491144814 /nfs/dbraw/zinc/14/48/14/491144814.db2.gz GCLZSCWOWFYRRV-UHFFFAOYSA-N 0 0 207.252 2.363 10 0 BEAERN Cc1cc(C(=O)[C@@H]2CCSC2)sn1 ZINC000306424154 359865633 /nfs/dbraw/zinc/86/56/33/359865633.db2.gz FXOZAYYQJCSDGA-SSDOTTSWSA-N 0 0 213.327 2.387 10 0 BEAERN O=C(CCN1CC[C@H](F)C1)c1ccccc1 ZINC000451190851 202375658 /nfs/dbraw/zinc/37/56/58/202375658.db2.gz GTFDMFRQLDVRCP-LBPRGKRZSA-N 0 0 221.275 2.303 10 0 BEAERN CC1(C)OCC[C@H]1Nc1cnnc(Cl)c1 ZINC000306430618 359884736 /nfs/dbraw/zinc/88/47/36/359884736.db2.gz QFLCKVDBZRXXRV-MRVPVSSYSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1cc(Br)cc(O)c1C=O ZINC000224490870 359885664 /nfs/dbraw/zinc/88/56/64/359885664.db2.gz XXDBEJYASPBHLS-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN CC(C)N(C)c1ncc(Br)cc1N ZINC000040713507 359892088 /nfs/dbraw/zinc/89/20/88/359892088.db2.gz JXPDRYRGVXFEBS-UHFFFAOYSA-N 0 0 244.136 2.271 10 0 BEAERN C[C@H](Nc1ccncc1F)[C@@H]1CCCO1 ZINC000309158767 491145725 /nfs/dbraw/zinc/14/57/25/491145725.db2.gz YEQDFVHQGQWOQH-KWQFWETISA-N 0 0 210.252 2.200 10 0 BEAERN CC(C)[C@H](O)Cc1nc([C@H]2CCCS2)no1 ZINC000087716875 359925346 /nfs/dbraw/zinc/92/53/46/359925346.db2.gz RXJRRHMGBZVNSP-RKDXNWHRSA-N 0 0 242.344 2.197 10 0 BEAERN CCc1cc(NC2CCC(O)CC2)nc(C)n1 ZINC000088058243 359933797 /nfs/dbraw/zinc/93/37/97/359933797.db2.gz KCYXFAWGEJBAEW-UHFFFAOYSA-N 0 0 235.331 2.063 10 0 BEAERN C[C@H](CO)Cc1cc(F)cc(F)c1F ZINC000306450552 360020943 /nfs/dbraw/zinc/02/09/43/360020943.db2.gz CQRFQWJSDKJABL-LURJTMIESA-N 0 0 204.191 2.275 10 0 BEAERN Clc1cc(N[C@@H]2CCSC2)ncn1 ZINC000231376699 360032526 /nfs/dbraw/zinc/03/25/26/360032526.db2.gz WFIZLSWWKIPJND-ZCFIWIBFSA-N 0 0 215.709 2.047 10 0 BEAERN OC1(C2CC2)CN(CCSc2ccccc2)C1 ZINC000089679935 360033732 /nfs/dbraw/zinc/03/37/32/360033732.db2.gz RLYMUHVPZGOXAS-UHFFFAOYSA-N 0 0 249.379 2.235 10 0 BEAERN O=C1CCO[C@]2(CCCc3occc32)C1 ZINC000169279947 360045848 /nfs/dbraw/zinc/04/58/48/360045848.db2.gz OPHMRFRQIVXSNP-GFCCVEGCSA-N 0 0 206.241 2.191 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1ncncc1Br ZINC000306455895 360045952 /nfs/dbraw/zinc/04/59/52/360045952.db2.gz QHVPITUZHUUWQA-HZGVNTEJSA-N 0 0 245.120 2.319 10 0 BEAERN O=Cc1nc2c(s1)CCc1occc1-2 ZINC000169276373 360046470 /nfs/dbraw/zinc/04/64/70/360046470.db2.gz GLKKYNJZMYOPTO-UHFFFAOYSA-N 0 0 205.238 2.314 10 0 BEAERN CC(C)c1noc(C[C@@]2(O)CCC[C@H]2C)n1 ZINC000536956610 360007519 /nfs/dbraw/zinc/00/75/19/360007519.db2.gz ZYPJGMMJKRALOF-SKDRFNHKSA-N 0 0 224.304 2.287 10 0 BEAERN CCCc1c(N)cncc1Br ZINC000306471608 360097417 /nfs/dbraw/zinc/09/74/17/360097417.db2.gz ZNFMOWBIKIFGMA-UHFFFAOYSA-N 0 0 215.094 2.379 10 0 BEAERN CCn1c(C)nnc1CSCCCF ZINC000091036823 360099328 /nfs/dbraw/zinc/09/93/28/360099328.db2.gz CQQWSESZTKEFEQ-UHFFFAOYSA-N 0 0 217.313 2.199 10 0 BEAERN FCCCNc1nc(F)c(F)cc1F ZINC000306464031 360075976 /nfs/dbraw/zinc/07/59/76/360075976.db2.gz AMFDPAKTCBUSSD-UHFFFAOYSA-N 0 0 208.158 2.270 10 0 BEAERN C[C@@H]1C[C@H]1[C@](C)([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000306464833 360077970 /nfs/dbraw/zinc/07/79/70/360077970.db2.gz CVOZSIRRPSMLLV-QKCSRTOESA-N 0 0 233.311 2.276 10 0 BEAERN Cc1cnn(C)c1-c1cccc(C=O)c1 ZINC000306467994 360080524 /nfs/dbraw/zinc/08/05/24/360080524.db2.gz MWIOFGPVXJPAAZ-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN CCc1cccnc1C(=O)c1ccc[nH]1 ZINC000306475651 360109500 /nfs/dbraw/zinc/10/95/00/360109500.db2.gz XGSCDPXSTLQMKF-UHFFFAOYSA-N 0 0 200.241 2.203 10 0 BEAERN Cc1csc(NC[C@](C)(O)C2CC2)n1 ZINC000306477082 360110835 /nfs/dbraw/zinc/11/08/35/360110835.db2.gz YYQXCTVGJQATQF-JTQLQIEISA-N 0 0 212.318 2.024 10 0 BEAERN CONCc1cscc1Br ZINC000306475536 360116315 /nfs/dbraw/zinc/11/63/15/360116315.db2.gz RWNKWTWOBIOERR-UHFFFAOYSA-N 0 0 222.107 2.162 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)COC3)O1 ZINC000091673745 360124450 /nfs/dbraw/zinc/12/44/50/360124450.db2.gz FJIVZRPFGXQRSZ-ZANVPECISA-N 0 0 247.294 2.223 10 0 BEAERN Brc1ccnc2cnccc12 ZINC000237965585 360131155 /nfs/dbraw/zinc/13/11/55/360131155.db2.gz LWMQRCZCGKBKPJ-UHFFFAOYSA-N 0 0 209.046 2.392 10 0 BEAERN CCCN(C)c1nc(C)ncc1Br ZINC000306484580 360160038 /nfs/dbraw/zinc/16/00/38/360160038.db2.gz GICGIYDWZZUTIO-UHFFFAOYSA-N 0 0 244.136 2.394 10 0 BEAERN Cc1csc([C@H](NN)c2ccsn2)c1 ZINC000306489217 360176491 /nfs/dbraw/zinc/17/64/91/360176491.db2.gz LIFFLZIICUKQKB-SECBINFHSA-N 0 0 225.342 2.066 10 0 BEAERN O[C@@H](c1ccoc1Cl)C1=COCC1 ZINC000306488885 360190372 /nfs/dbraw/zinc/19/03/72/360190372.db2.gz VVNBTSNWQCRKBK-MRVPVSSYSA-N 0 0 200.621 2.271 10 0 BEAERN C[C@H]1CC[C@@H](Cn2ccc(Cl)n2)O1 ZINC000306490695 360206287 /nfs/dbraw/zinc/20/62/87/360206287.db2.gz VKGGJIZAFPXWPI-YUMQZZPRSA-N 0 0 200.669 2.104 10 0 BEAERN Cc1noc(-c2ccoc2Br)n1 ZINC000306492488 360218648 /nfs/dbraw/zinc/21/86/48/360218648.db2.gz QDIZPEGDEZTJRV-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN CCc1nnc(Cl)n1[C@H]1CCSC1 ZINC000231417187 360273385 /nfs/dbraw/zinc/27/33/85/360273385.db2.gz JJKAHICRZSBDBS-LURJTMIESA-N 0 0 217.725 2.172 10 0 BEAERN COC(=O)c1c(O)cccc1C(F)(F)F ZINC000231419646 360274987 /nfs/dbraw/zinc/27/49/87/360274987.db2.gz GZORLGIQLIGJHI-UHFFFAOYSA-N 0 0 220.146 2.198 10 0 BEAERN CN1CCC(=O)Nc2ccc(Cl)cc21 ZINC000228431463 360286998 /nfs/dbraw/zinc/28/69/98/360286998.db2.gz ORMKUUNSJADEFC-UHFFFAOYSA-N 0 0 210.664 2.118 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccc(N)cc1Cl ZINC000306513301 360334560 /nfs/dbraw/zinc/33/45/60/360334560.db2.gz ADTAGSGXTXWOLG-NKWVEPMBSA-N 0 0 214.696 2.103 10 0 BEAERN C[C@H]1CCSCCN1c1ccc(C=O)o1 ZINC000306513734 360338093 /nfs/dbraw/zinc/33/80/93/360338093.db2.gz AXSAAMHNBYMVHQ-VIFPVBQESA-N 0 0 225.313 2.424 10 0 BEAERN NC(=O)c1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000037977849 181300629 /nfs/dbraw/zinc/30/06/29/181300629.db2.gz SLCGEHLTDZWZME-UHFFFAOYSA-N 0 0 249.657 2.021 10 0 BEAERN Brc1ncnc(-c2ccccc2)n1 ZINC000237982624 360312885 /nfs/dbraw/zinc/31/28/85/360312885.db2.gz XNDSBMCAUZBOCQ-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Nc1ccccc1SCc1cn[nH]c1 ZINC000306503254 360314651 /nfs/dbraw/zinc/31/46/51/360314651.db2.gz VLACZJPXJMFASQ-UHFFFAOYSA-N 0 0 205.286 2.284 10 0 BEAERN C[C@@H]1CCC[C@H]1NC(=O)C(F)(F)Cl ZINC000306527161 360367821 /nfs/dbraw/zinc/36/78/21/360367821.db2.gz WQIVWVGYCIOXSQ-PHDIDXHHSA-N 0 0 211.639 2.123 10 0 BEAERN Brc1ccn(Cc2ccoc2)n1 ZINC000306525190 360370649 /nfs/dbraw/zinc/37/06/49/360370649.db2.gz PIOIXHBGCMPEDM-UHFFFAOYSA-N 0 0 227.061 2.287 10 0 BEAERN Clc1nc(NCc2cccnn2)cs1 ZINC000306531613 360389868 /nfs/dbraw/zinc/38/98/68/360389868.db2.gz FUUCVULLICNTNH-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN Cc1csc(-c2nn(C)c(=S)[nH]2)c1 ZINC000306539310 360401034 /nfs/dbraw/zinc/40/10/34/360401034.db2.gz QIIXNKWOWRTTHK-UHFFFAOYSA-N 0 0 211.315 2.141 10 0 BEAERN COc1cc([C@@H](O)C(F)(F)Cl)sn1 ZINC000306539393 360401137 /nfs/dbraw/zinc/40/11/37/360401137.db2.gz NENDQIYVTMRTIB-RXMQYKEDSA-N 0 0 229.635 2.017 10 0 BEAERN COc1cc(-c2ccc(=S)[nH]n2)sn1 ZINC000306533382 360394939 /nfs/dbraw/zinc/39/49/39/360394939.db2.gz HQEGRAVBTHYGIG-UHFFFAOYSA-N 0 0 225.298 2.271 10 0 BEAERN COc1cc(-c2cccc(F)n2)sn1 ZINC000306536393 360395608 /nfs/dbraw/zinc/39/56/08/360395608.db2.gz KNHFRPCQWCIRSY-UHFFFAOYSA-N 0 0 210.233 2.353 10 0 BEAERN CNC(=S)N[C@@]1(C)CCCC[C@H]1C ZINC000306535340 360399035 /nfs/dbraw/zinc/39/90/35/360399035.db2.gz JTFAEECVRAJNEX-SCZZXKLOSA-N 0 0 200.351 2.049 10 0 BEAERN COc1c(C)nc(N2CCCC2)nc1Cl ZINC000306521923 360356633 /nfs/dbraw/zinc/35/66/33/360356633.db2.gz ODLCWIMHHNSDLY-UHFFFAOYSA-N 0 0 227.695 2.047 10 0 BEAERN C[C@@H]1CCN(c2cc(Cl)ncn2)[C@@H]1C ZINC000306563338 360441004 /nfs/dbraw/zinc/44/10/04/360441004.db2.gz VNRNECRGIADEPJ-HTQZYQBOSA-N 0 0 211.696 2.365 10 0 BEAERN C[C@H]1C[C@H](n2ccc(=O)[nH]c2=S)CS1 ZINC000306565619 360444171 /nfs/dbraw/zinc/44/41/71/360444171.db2.gz FOMCUEZNVCMFLX-BQBZGAKWSA-N 0 0 228.342 2.385 10 0 BEAERN C[C@@H]1CCC[C@@H](C[C@@H](O)C(C)(C)O)C1 ZINC000306568324 360446452 /nfs/dbraw/zinc/44/64/52/360446452.db2.gz UOPHLOMWNGYFPD-GMTAPVOTSA-N 0 0 200.322 2.335 10 0 BEAERN C[C@H]1C[C@H](SC2CCCC2)C(=O)O1 ZINC000306540307 360405349 /nfs/dbraw/zinc/40/53/49/360405349.db2.gz OSZQOMMAXKPKCN-CBAPKCEASA-N 0 0 200.303 2.366 10 0 BEAERN Clc1nccc(NC[C@@H]2CCC=CO2)n1 ZINC000306539429 360405474 /nfs/dbraw/zinc/40/54/74/360405474.db2.gz NIFFRBGBVVKABM-QMMMGPOBSA-N 0 0 225.679 2.235 10 0 BEAERN CN1CCC[C@H](SC(C)(C)C)C1=O ZINC000306540487 360405647 /nfs/dbraw/zinc/40/56/47/360405647.db2.gz RSUWVOKOFZUMJN-QMMMGPOBSA-N 0 0 201.335 2.139 10 0 BEAERN C[C@H]1CSCCN1c1ccc(C=O)o1 ZINC000069761085 360409458 /nfs/dbraw/zinc/40/94/58/360409458.db2.gz KYDBAMDZNBIAKM-QMMMGPOBSA-N 0 0 211.286 2.034 10 0 BEAERN CNC(=O)Nc1cnc(Cl)c(Cl)c1 ZINC000306544782 360413532 /nfs/dbraw/zinc/41/35/32/360413532.db2.gz ZBPLNJHTUGSCDR-UHFFFAOYSA-N 0 0 220.059 2.140 10 0 BEAERN COc1cc([C@]2(O)CCC[C@H]2C)sn1 ZINC000306546357 360416513 /nfs/dbraw/zinc/41/65/13/360416513.db2.gz WPSRGUVGSXLZEN-XCBNKYQSSA-N 0 0 213.302 2.159 10 0 BEAERN CON(C)C[C@H]1CSc2ccccc21 ZINC000306549366 360418681 /nfs/dbraw/zinc/41/86/81/360418681.db2.gz DSDJIQGEMINSRO-VIFPVBQESA-N 0 0 209.314 2.369 10 0 BEAERN CCNc1cc(OC(F)(F)F)ccn1 ZINC000306558939 360432006 /nfs/dbraw/zinc/43/20/06/360432006.db2.gz KZVTUWLNNKRLPR-UHFFFAOYSA-N 0 0 206.167 2.412 10 0 BEAERN Cc1nsc(N[C@H](C)C(C)(F)F)n1 ZINC000306560591 360435168 /nfs/dbraw/zinc/43/51/68/360435168.db2.gz RWRPKFXZVVJLLI-SCSAIBSYSA-N 0 0 207.249 2.302 10 0 BEAERN CN(c1csc(Cl)n1)[C@@H]1CCOC1 ZINC000306580764 360477658 /nfs/dbraw/zinc/47/76/58/360477658.db2.gz YWFDILHDGGVTKS-ZCFIWIBFSA-N 0 0 218.709 2.022 10 0 BEAERN CNc1nc2ccsc2c(SC)n1 ZINC000306581311 360478484 /nfs/dbraw/zinc/47/84/84/360478484.db2.gz ZLWSWVJZBLUPFQ-UHFFFAOYSA-N 0 0 211.315 2.455 10 0 BEAERN C[S@@](=O)CCNc1cc(F)cc(Cl)c1 ZINC000306583827 360482187 /nfs/dbraw/zinc/48/21/87/360482187.db2.gz RDTDUBMGPUCPKY-CQSZACIVSA-N 0 0 235.711 2.270 10 0 BEAERN O=C1C[C@@H](c2cccc(Br)c2F)N1 ZINC000306582452 360483754 /nfs/dbraw/zinc/48/37/54/360483754.db2.gz DBJVLFUOKDMXIO-ZETCQYMHSA-N 0 0 244.063 2.149 10 0 BEAERN CS[C@H]1CC[C@@H]1Nc1ncc(C)cn1 ZINC000306584879 360484741 /nfs/dbraw/zinc/48/47/41/360484741.db2.gz GVKRYICVOMDGHE-IUCAKERBSA-N 0 0 209.318 2.091 10 0 BEAERN Cc1cc2ccccc2n1CCN1CCOCC1 ZINC000034218575 360456887 /nfs/dbraw/zinc/45/68/87/360456887.db2.gz ASRCZIZEMMGLDI-UHFFFAOYSA-N 0 0 244.338 2.282 10 0 BEAERN CC(=O)c1nc(-c2c(C)cnn2C)cs1 ZINC000306575559 360465103 /nfs/dbraw/zinc/46/51/03/360465103.db2.gz JMEYAAPMWPPBKF-UHFFFAOYSA-N 0 0 221.285 2.055 10 0 BEAERN FC1CCC(Nc2ncns2)CC1 ZINC000306578394 360467682 /nfs/dbraw/zinc/46/76/82/360467682.db2.gz VWPVRFBZUNUXRA-UHFFFAOYSA-N 0 0 201.270 2.231 10 0 BEAERN CCOC(=O)c1cc(F)cc(Br)n1 ZINC000306601107 360527527 /nfs/dbraw/zinc/52/75/27/360527527.db2.gz JRVDTTXGPMTDAN-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN O[C@H](c1ccns1)c1ccoc1Cl ZINC000306592193 360509956 /nfs/dbraw/zinc/50/99/56/360509956.db2.gz WGGNMDFKMUGUNK-ZETCQYMHSA-N 0 0 215.661 2.471 10 0 BEAERN CSC[C@H](C)c1nnc2cncc(Cl)n21 ZINC000300800598 360513965 /nfs/dbraw/zinc/51/39/65/360513965.db2.gz CXZUTKAMDDGFRU-LURJTMIESA-N 0 0 242.735 2.244 10 0 BEAERN C[C@@H](Nc1ncccc1Cl)C(C)(C)O ZINC000306593779 360515357 /nfs/dbraw/zinc/51/53/57/360515357.db2.gz DIQFZKNDVHHNFI-SSDOTTSWSA-N 0 0 214.696 2.306 10 0 BEAERN CCc1cnc([C@H]2N[C@@H](C)CS2)s1 ZINC000306596545 360518213 /nfs/dbraw/zinc/51/82/13/360518213.db2.gz MPKYVTJGEJXCGH-RCOVLWMOSA-N 0 0 214.359 2.429 10 0 BEAERN NC(=O)c1ccc2ncc(-c3ccccc3)nc2c1 ZINC000090585558 181302573 /nfs/dbraw/zinc/30/25/73/181302573.db2.gz ZQZMGYNFRKRYRP-UHFFFAOYSA-N 0 0 249.273 2.396 10 0 BEAERN O=C1CCO[C@@H](c2cc(F)ccc2F)C1 ZINC000069850857 360704521 /nfs/dbraw/zinc/70/45/21/360704521.db2.gz VIZUGQFBQKFPDC-LLVKDONJSA-N 0 0 212.195 2.385 10 0 BEAERN CC(C)c1nccc(N[C@H]2CCO[C@@H]2C)n1 ZINC000153224749 360764731 /nfs/dbraw/zinc/76/47/31/360764731.db2.gz OQKQDSBBAOTJGI-ZJUUUORDSA-N 0 0 221.304 2.189 10 0 BEAERN CC(C)c1nccc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000153224510 360764931 /nfs/dbraw/zinc/76/49/31/360764931.db2.gz OQKQDSBBAOTJGI-NXEZZACHSA-N 0 0 221.304 2.189 10 0 BEAERN CCCc1nnc(NCC(F)F)s1 ZINC000153313578 360765874 /nfs/dbraw/zinc/76/58/74/360765874.db2.gz CHGFPHYIZGYGCR-UHFFFAOYSA-N 0 0 207.249 2.168 10 0 BEAERN CCOC(=O)Cc1cccc(N)c1Cl ZINC000238260949 360769943 /nfs/dbraw/zinc/76/99/43/360769943.db2.gz VQQZCZMOQAAFST-UHFFFAOYSA-N 0 0 213.664 2.028 10 0 BEAERN CCCOC(=O)[C@@H](O)c1ccccc1Cl ZINC000238230857 360735786 /nfs/dbraw/zinc/73/57/86/360735786.db2.gz SJUZVACJHMVURS-JTQLQIEISA-N 0 0 228.675 2.327 10 0 BEAERN CCC(=O)[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000306610686 360779603 /nfs/dbraw/zinc/77/96/03/360779603.db2.gz FHCAHCZRNVBKAF-XPUUQOCRSA-N 0 0 210.195 2.323 10 0 BEAERN CCOC(=O)N[C@H]1Cc2cccc(C)c2C1 ZINC000238287245 360781402 /nfs/dbraw/zinc/78/14/02/360781402.db2.gz ZPXIHIOZMGWRGE-NSHDSACASA-N 0 0 219.284 2.208 10 0 BEAERN C[C@H](C1CC1)n1ncc2c1ncnc2Cl ZINC000040932186 360853821 /nfs/dbraw/zinc/85/38/21/360853821.db2.gz XHQJCWROWQBAKD-ZCFIWIBFSA-N 0 0 222.679 2.451 10 0 BEAERN NC(=O)c1ncccc1/C=C/c1ccccc1 ZINC000044712528 181313134 /nfs/dbraw/zinc/31/31/34/181313134.db2.gz SIQJPDGKKMVRIH-CMDGGOBGSA-N 0 0 224.263 2.351 10 0 BEAERN NC(=S)CSc1ncnc2sccc21 ZINC000057837115 181316377 /nfs/dbraw/zinc/31/63/77/181316377.db2.gz DUDZATHSQCIWDX-UHFFFAOYSA-N 0 0 241.366 2.070 10 0 BEAERN COC(=O)c1cc(F)cc(OC(F)F)c1 ZINC000238363217 360949128 /nfs/dbraw/zinc/94/91/28/360949128.db2.gz BDYUONNFMLYVEX-UHFFFAOYSA-N 0 0 220.146 2.214 10 0 BEAERN COC(=O)c1cc(F)cc(C(F)(F)F)n1 ZINC000238362920 360949001 /nfs/dbraw/zinc/94/90/01/360949001.db2.gz WZXCHGUWJKJTJC-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN COC(=O)c1cc(F)ccc1OC(F)F ZINC000238364196 360950378 /nfs/dbraw/zinc/95/03/78/360950378.db2.gz SAWKHMJMJDEVJQ-UHFFFAOYSA-N 0 0 220.146 2.214 10 0 BEAERN NC(=S)Nc1nc2cc(Cl)ccc2o1 ZINC000022130391 181319259 /nfs/dbraw/zinc/31/92/59/181319259.db2.gz OOCAEYPEUACPRX-UHFFFAOYSA-N 0 0 227.676 2.137 10 0 BEAERN NC(=S)c1cc2ccc(Cl)cc2[nH]1 ZINC000083346411 181320274 /nfs/dbraw/zinc/32/02/74/181320274.db2.gz PKISDJRQTRLEMC-UHFFFAOYSA-N 0 0 210.689 2.456 10 0 BEAERN CC(C)(C)c1nc2ccccn2c1C=O ZINC000006832303 360982337 /nfs/dbraw/zinc/98/23/37/360982337.db2.gz CQQLMQZNJKOPFC-UHFFFAOYSA-N 0 0 202.257 2.444 10 0 BEAERN NC(=S)c1ccccc1NCc1nccs1 ZINC000049534747 181321662 /nfs/dbraw/zinc/32/16/62/181321662.db2.gz MGKMCRHYEQGCRW-UHFFFAOYSA-N 0 0 249.364 2.389 10 0 BEAERN C[C@H]1CN(c2ccnc(Cl)n2)C[C@H](C)S1 ZINC000069910213 361019326 /nfs/dbraw/zinc/01/93/26/361019326.db2.gz KYXNOWMVDJVXQW-YUMQZZPRSA-N 0 0 243.763 2.460 10 0 BEAERN NC(=S)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000019503782 181321017 /nfs/dbraw/zinc/32/10/17/181321017.db2.gz OUIKIESPQZNJPU-UHFFFAOYSA-N 0 0 246.291 2.166 10 0 BEAERN NC(=S)c1ccccc1OCc1cccnc1 ZINC000019484407 181321765 /nfs/dbraw/zinc/32/17/65/181321765.db2.gz SHSUNROCOLZFRI-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN NC(=S)c1cccnc1NCc1ccccc1 ZINC000019518276 181322046 /nfs/dbraw/zinc/32/20/46/181322046.db2.gz OHVDGGNDGASRKO-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN NC(=S)c1ccccc1NC(=O)C1CCCC1 ZINC000019488782 181322159 /nfs/dbraw/zinc/32/21/59/181322159.db2.gz GQIKFUWUJXEJHO-UHFFFAOYSA-N 0 0 248.351 2.450 10 0 BEAERN Clc1ccc(COC2CCOCC2)cn1 ZINC000040992879 361056934 /nfs/dbraw/zinc/05/69/34/361056934.db2.gz GMRFRALCSRDTRW-UHFFFAOYSA-N 0 0 227.691 2.431 10 0 BEAERN O[C@H](c1cnns1)c1ccc(Cl)cc1 ZINC000138660325 361069336 /nfs/dbraw/zinc/06/93/36/361069336.db2.gz VLCLSRWZDVPTKB-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN O=Cc1nccc(Cl)c1OC(F)(F)F ZINC000238520736 361134975 /nfs/dbraw/zinc/13/49/75/361134975.db2.gz GOMXKOGGNKGSTO-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=Cc1ncc(OC(F)(F)F)cc1Cl ZINC000238540507 361141584 /nfs/dbraw/zinc/14/15/84/361141584.db2.gz KYWWELADRWQHBG-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1c(C=O)cncc1OC(F)(F)F ZINC000238549000 361143597 /nfs/dbraw/zinc/14/35/97/361143597.db2.gz UWFCWERBJFVXEJ-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN CC(C)[C@@H](O)c1cc(Cl)cnc1N ZINC000069943343 361173077 /nfs/dbraw/zinc/17/30/77/361173077.db2.gz COGFMXLSDPAVFR-MRVPVSSYSA-N 0 0 200.669 2.007 10 0 BEAERN CC(C)(C)[C@@H](O)c1cc(Cl)cnc1N ZINC000069943406 361174027 /nfs/dbraw/zinc/17/40/27/361174027.db2.gz VUEVWZOEBUKRDO-QMMMGPOBSA-N 0 0 214.696 2.397 10 0 BEAERN Nc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238672038 361176935 /nfs/dbraw/zinc/17/69/35/361176935.db2.gz DRSZEADBFQFVBV-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN O=c1cc([C@H]2C[C@@H]2c2ccccc2)[nH][nH]1 ZINC000238700815 361180635 /nfs/dbraw/zinc/18/06/35/361180635.db2.gz RBZJEPPZUOQABD-ZJUUUORDSA-N 0 0 200.241 2.386 10 0 BEAERN C[C@@H](c1ncc(Br)cn1)N1CCC1 ZINC000306623277 361247416 /nfs/dbraw/zinc/24/74/16/361247416.db2.gz DKUSARQTONOSNY-ZETCQYMHSA-N 0 0 242.120 2.006 10 0 BEAERN N[C@@H](c1nccs1)c1cccc(F)c1 ZINC000041059841 361221399 /nfs/dbraw/zinc/22/13/99/361221399.db2.gz XLMZMRDAHFBBFR-SECBINFHSA-N 0 0 208.261 2.330 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)NC[C@H](O)C(C)(C)C ZINC000424734795 200956883 /nfs/dbraw/zinc/95/68/83/200956883.db2.gz UXXOQVXSUITHBK-UTUOFQBUSA-N 0 0 241.375 2.336 10 0 BEAERN CC(=O)Nc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1C ZINC000171051565 361237892 /nfs/dbraw/zinc/23/78/92/361237892.db2.gz JTILTNCHRDOBJI-SKDRFNHKSA-N 0 0 246.310 2.092 10 0 BEAERN COC1(C2=NC(=O)CS2)CCCCCC1 ZINC000306624595 361284934 /nfs/dbraw/zinc/28/49/34/361284934.db2.gz FXYNULAGLQEOBR-UHFFFAOYSA-N 0 0 227.329 2.398 10 0 BEAERN CCc1cc(NC(=O)CCC2CC2)n[nH]1 ZINC000115710877 370686335 /nfs/dbraw/zinc/68/63/35/370686335.db2.gz OAZSMULDUULLQS-UHFFFAOYSA-N 0 0 207.277 2.101 10 0 BEAERN CC[C@H](Nc1nccc(OC)n1)C(C)C ZINC000162340354 361346464 /nfs/dbraw/zinc/34/64/64/361346464.db2.gz VRCHQUIHWINSHY-VIFPVBQESA-N 0 0 209.293 2.332 10 0 BEAERN OCc1ccnc(Cl)c1OC(F)(F)F ZINC000238728153 361371793 /nfs/dbraw/zinc/37/17/93/361371793.db2.gz YVNQPYLCYGLETF-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN O[C@H]1CCc2ccc(Br)cc2C1 ZINC000238726681 361371892 /nfs/dbraw/zinc/37/18/92/361371892.db2.gz UGQHSPTYEKKEJS-JTQLQIEISA-N 0 0 227.101 2.299 10 0 BEAERN COc1ccc(Cl)c2[nH]c(=O)ccc12 ZINC000070054970 361388497 /nfs/dbraw/zinc/38/84/97/361388497.db2.gz MSAMOURBMFCAHP-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN NN=c1ccc2ccc(Cl)c(F)c2[nH]1 ZINC000070063958 361392719 /nfs/dbraw/zinc/39/27/19/361392719.db2.gz JXIGMMZVBIRDIB-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN CO[C@@H](C)CSCc1nnc(C(C)C)n1C ZINC000181161807 366792059 /nfs/dbraw/zinc/79/20/59/366792059.db2.gz MEDHGZLJCDRSJB-VIFPVBQESA-N 0 0 243.376 2.207 10 0 BEAERN O=[N+]([O-])c1cncc(CF)c1OC(F)(F)F ZINC000381573018 361489018 /nfs/dbraw/zinc/48/90/18/361489018.db2.gz WYELZDLQIDLPQC-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)[C@@H]1CCC[C@H]1C ZINC000629635982 361526025 /nfs/dbraw/zinc/52/60/25/361526025.db2.gz NQOFXJYQSKUOGW-VXGBXAGGSA-N 0 0 241.375 2.432 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)c2ccncn2)C1 ZINC000070566413 361561610 /nfs/dbraw/zinc/56/16/10/361561610.db2.gz ALHFEGWNIOIIDB-UWVGGRQHSA-N 0 0 204.273 2.486 10 0 BEAERN COC(=O)c1cccc(NCc2cc[nH]n2)c1C ZINC000037047493 361596399 /nfs/dbraw/zinc/59/63/99/361596399.db2.gz SDKCYYJHGVTVBO-UHFFFAOYSA-N 0 0 245.282 2.117 10 0 BEAERN N#CNCc1cc(Br)cs1 ZINC000070600218 361584029 /nfs/dbraw/zinc/58/40/29/361584029.db2.gz YWLMWAOIDMCVQM-UHFFFAOYSA-N 0 0 217.091 2.081 10 0 BEAERN Cc1cc(C(=O)c2ccco2)ccc1N ZINC000070651698 361696544 /nfs/dbraw/zinc/69/65/44/361696544.db2.gz ASSMVWNMOSWSIP-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN CC1(C)CCC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000070683864 361719128 /nfs/dbraw/zinc/71/91/28/361719128.db2.gz XSXQUDKYEMWKNQ-GFCCVEGCSA-N 0 0 211.305 2.162 10 0 BEAERN CCc1c(OC)cc(OC)cc1C(C)=O ZINC000214896634 363882832 /nfs/dbraw/zinc/88/28/32/363882832.db2.gz MUSSGCWDCISLSM-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN Cc1cccc(CC(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000130655751 363887572 /nfs/dbraw/zinc/88/75/72/363887572.db2.gz QCLORHZVCUJEMU-BETUJISGSA-N 0 0 247.338 2.173 10 0 BEAERN Cc1cccc(CC(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000130656193 363889405 /nfs/dbraw/zinc/88/94/05/363889405.db2.gz QCLORHZVCUJEMU-CHWSQXEVSA-N 0 0 247.338 2.173 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC(C)(C)C[C@@H]2C ZINC000233967586 541309378 /nfs/dbraw/zinc/30/93/78/541309378.db2.gz FRNCQSFJBCZYLO-AUTRQRHGSA-N 0 0 212.289 2.143 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCC[C@@H](C)C1 ZINC000079122423 541310235 /nfs/dbraw/zinc/31/02/35/541310235.db2.gz YGYVCGOCGZFVIZ-MNOVXSKESA-N 0 0 212.337 2.472 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)C1CCCCC1 ZINC000234580762 541312054 /nfs/dbraw/zinc/31/20/54/541312054.db2.gz FPONEIZKTLIZLG-WDEREUQCSA-N 0 0 232.707 2.464 10 0 BEAERN O=C(Cc1ccco1)[C@@H]1CSCCS1 ZINC000130676642 364022616 /nfs/dbraw/zinc/02/26/16/364022616.db2.gz RJURABREDLTYGJ-JTQLQIEISA-N 0 0 228.338 2.240 10 0 BEAERN CCc1c(C)cc2ncnn2c1Br ZINC000725248328 541330260 /nfs/dbraw/zinc/33/02/60/541330260.db2.gz RFEMPXSWUSWXLU-UHFFFAOYSA-N 0 0 240.104 2.363 10 0 BEAERN C[C@H](O[C@H]1CCC[C@@H](O)C1)C(F)(F)F ZINC000225451875 370701055 /nfs/dbraw/zinc/70/10/55/370701055.db2.gz SWHUNYPNCWJXGH-RNJXMRFFSA-N 0 0 212.211 2.257 10 0 BEAERN CCCc1cc(O)cc(O)c1C(=O)OCC ZINC000015115363 364178498 /nfs/dbraw/zinc/17/84/98/364178498.db2.gz HCWSSRCTMYFELV-UHFFFAOYSA-N 0 0 224.256 2.227 10 0 BEAERN C[C@@H](O)C(=O)c1cccc2ccccc21 ZINC000139610072 364193018 /nfs/dbraw/zinc/19/30/18/364193018.db2.gz FWYAWAVMEZKFQD-SECBINFHSA-N 0 0 200.237 2.403 10 0 BEAERN Cc1nc(NC(=O)[C@H]2CC[C@H](C)O2)sc1C ZINC000132273389 364235603 /nfs/dbraw/zinc/23/56/03/364235603.db2.gz GGGSRWBVAKRXEJ-IMTBSYHQSA-N 0 0 240.328 2.266 10 0 BEAERN Cc1c(Cl)cnn1Cc1ccc(C=O)o1 ZINC000161302621 364245240 /nfs/dbraw/zinc/24/52/40/364245240.db2.gz OOBVFLSSZGXEFS-UHFFFAOYSA-N 0 0 224.647 2.299 10 0 BEAERN CCCc1nsc(N[C@@H]2CCO[C@H]2C)n1 ZINC000134574674 364406591 /nfs/dbraw/zinc/40/65/91/364406591.db2.gz INJXSLQTRUKEPP-JGVFFNPUSA-N 0 0 227.333 2.080 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccccc1N(C)C ZINC000170824018 364376392 /nfs/dbraw/zinc/37/63/92/364376392.db2.gz SEEQJIGOVHYDHP-ONGXEEELSA-N 0 0 233.315 2.283 10 0 BEAERN CCc1onc(C)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000089391858 325665154 /nfs/dbraw/zinc/66/51/54/325665154.db2.gz XLTVODYXTSNWMC-GMSGAONNSA-N 0 0 238.287 2.051 10 0 BEAERN C[C@@H]1CCC[C@H]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C1 ZINC000675060377 541386653 /nfs/dbraw/zinc/38/66/53/541386653.db2.gz YBUGTGKEUISHQB-RHYQMDGZSA-N 0 0 225.332 2.123 10 0 BEAERN CC[C@@H]1CCC[C@@]2(CC1)O[C@@H]2C(=O)OC ZINC000227529829 541392084 /nfs/dbraw/zinc/39/20/84/541392084.db2.gz WSGKCCMKDCUCOV-FOGDFJRCSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ccc(F)c2nc(Cl)[nH]c(=O)c12 ZINC000129366993 541412570 /nfs/dbraw/zinc/41/25/70/541412570.db2.gz OTTDVUIBYFMSSC-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN CCOC(=O)[C@H](O)C1=CC[C@@H](CC)CC1 ZINC000675053940 541433094 /nfs/dbraw/zinc/43/30/94/541433094.db2.gz RIHPXFXPJUGGHL-MWLCHTKSSA-N 0 0 212.289 2.047 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCC21CCCC1 ZINC000669384226 541437492 /nfs/dbraw/zinc/43/74/92/541437492.db2.gz QLHNQLQKHLMJKB-JQWIXIFHSA-N 0 0 210.273 2.041 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]12CCC21CCCCC1 ZINC000669384164 541437754 /nfs/dbraw/zinc/43/77/54/541437754.db2.gz PHEBNYFCXSTNCE-DGCLKSJQSA-N 0 0 224.300 2.431 10 0 BEAERN CC[C@@H]1CCC[C@@]12O[C@]2(CC)C(=O)OC ZINC000669384177 541437867 /nfs/dbraw/zinc/43/78/67/541437867.db2.gz PMDAYRKEWXAHAI-YUSALJHKSA-N 0 0 212.289 2.287 10 0 BEAERN COC[C@H](C)C(=O)N(CC(C)C)C(C)C ZINC000171444343 365200054 /nfs/dbraw/zinc/20/00/54/365200054.db2.gz STDANGMTZARGRQ-NSHDSACASA-N 0 0 215.337 2.162 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000171456510 365201396 /nfs/dbraw/zinc/20/13/96/365201396.db2.gz LQSMVURNQNBAGE-SNVBAGLBSA-N 0 0 237.299 2.225 10 0 BEAERN CCc1nnc(CN2[C@@H](C)CCC[C@@H]2C)n1C ZINC000171741607 365231471 /nfs/dbraw/zinc/23/14/71/365231471.db2.gz YCGSFIBBSUXGBN-QWRGUYRKSA-N 0 0 236.363 2.140 10 0 BEAERN CCc1nnc(CN2[C@H](C)CCC[C@H]2C)n1C ZINC000171741611 365231674 /nfs/dbraw/zinc/23/16/74/365231674.db2.gz YCGSFIBBSUXGBN-GHMZBOCLSA-N 0 0 236.363 2.140 10 0 BEAERN O=Cc1ccc(N2CC(C(F)F)C2)cc1 ZINC000675063735 541465642 /nfs/dbraw/zinc/46/56/42/541465642.db2.gz MXXQOMGPBIXJPY-UHFFFAOYSA-N 0 0 211.211 2.200 10 0 BEAERN O=Cc1ccc(N2CC(C(F)F)C2)s1 ZINC000675063734 541465768 /nfs/dbraw/zinc/46/57/68/541465768.db2.gz MSMOXZUMVDWUOT-UHFFFAOYSA-N 0 0 217.240 2.262 10 0 BEAERN Oc1ccc(/C=C/Br)c(O)c1 ZINC000685964080 541498056 /nfs/dbraw/zinc/49/80/56/541498056.db2.gz ULGYVBFVDPDSHN-ONEGZZNKSA-N 0 0 215.046 2.463 10 0 BEAERN Cn1ccc(-c2ccc(C=O)c(F)c2)n1 ZINC000231978144 541503651 /nfs/dbraw/zinc/50/36/51/541503651.db2.gz SFRMCIRTIHICDV-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CCc1nc2n(n1)[C@H](CC)C[C@@H](CC)N2 ZINC000233948634 541510345 /nfs/dbraw/zinc/51/03/45/541510345.db2.gz UWRUUASOHDKARJ-RKDXNWHRSA-N 0 0 208.309 2.386 10 0 BEAERN CC1CC(C(=O)N2CCNc3ccccc32)C1 ZINC000579702836 366984062 /nfs/dbraw/zinc/98/40/62/366984062.db2.gz MEIDPNMRZFANOM-UHFFFAOYSA-N 0 0 230.311 2.491 10 0 BEAERN CCOC(=O)[C@H](CC)C(=O)[C@H]1CC1(C)C ZINC000233689948 541508640 /nfs/dbraw/zinc/50/86/40/541508640.db2.gz FYYWUVMOMFNMHS-RKDXNWHRSA-N 0 0 212.289 2.191 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000183051195 366971047 /nfs/dbraw/zinc/97/10/47/366971047.db2.gz IDZDCYZHUHOOIG-KOLCDFICSA-N 0 0 235.283 2.207 10 0 BEAERN C[C@H]1C[C@H](C(=O)NCc2cc[nH]n2)CC(C)(C)C1 ZINC000183262292 367006013 /nfs/dbraw/zinc/00/60/13/367006013.db2.gz MUDMVDCYTDZQKA-QWRGUYRKSA-N 0 0 249.358 2.488 10 0 BEAERN CC[C@@H](NC(=O)c1cccnc1)c1nccs1 ZINC000131033760 370859550 /nfs/dbraw/zinc/85/95/50/370859550.db2.gz ODRGQQVYECIXCG-SNVBAGLBSA-N 0 0 247.323 2.419 10 0 BEAERN CCCCN(C)Cc1nnc(C(C)C)n1C ZINC000195009155 367331292 /nfs/dbraw/zinc/33/12/92/367331292.db2.gz BLTUSGDWQUEALF-UHFFFAOYSA-N 0 0 224.352 2.170 10 0 BEAERN CCn1c(C)nnc1CN(C)Cc1ccccc1 ZINC000195007195 367332335 /nfs/dbraw/zinc/33/23/35/367332335.db2.gz AVRKQHLZLOTPQP-UHFFFAOYSA-N 0 0 244.342 2.238 10 0 BEAERN CC[C@@H](C)[C@H](CNC(=O)OC(C)C)OC ZINC000381191408 367361414 /nfs/dbraw/zinc/36/14/14/367361414.db2.gz KOWIAWWXQINWKP-ZJUUUORDSA-N 0 0 217.309 2.182 10 0 BEAERN CC[C@H](C)[C@@H](CNC(=O)OC(C)C)OC ZINC000381191407 367361729 /nfs/dbraw/zinc/36/17/29/367361729.db2.gz KOWIAWWXQINWKP-VHSXEESVSA-N 0 0 217.309 2.182 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2C[C@H](C)O[C@H]2C)o1 ZINC000384667582 367714436 /nfs/dbraw/zinc/71/44/36/367714436.db2.gz XGYRXHZQLIGSQJ-DMLMCSCLSA-N 0 0 224.304 2.200 10 0 BEAERN Nc1nc(-c2cccc(F)c2)nc(Cl)c1O ZINC000117182568 370880611 /nfs/dbraw/zinc/88/06/11/370880611.db2.gz RNFJALLDQOKANN-UHFFFAOYSA-N 0 0 239.637 2.224 10 0 BEAERN Brc1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000252738075 367904603 /nfs/dbraw/zinc/90/46/03/367904603.db2.gz DSZZAKKWMWQFSF-FPFOFBBKSA-N 0 0 229.077 2.346 10 0 BEAERN CCOC(=O)[C@@H](C)[C@H](C#N)c1ccccc1 ZINC000075627708 367933917 /nfs/dbraw/zinc/93/39/17/367933917.db2.gz NJWSSOVRSTXGGG-JQWIXIFHSA-N 0 0 217.268 2.493 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2ccccn2)o1 ZINC000023305492 367991805 /nfs/dbraw/zinc/99/18/05/367991805.db2.gz WBQWYGAIPKPFHU-SNVBAGLBSA-N 0 0 230.267 2.474 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000527391774 367998914 /nfs/dbraw/zinc/99/89/14/367998914.db2.gz PXBAGHIMGZLPQU-JTQLQIEISA-N 0 0 235.283 2.133 10 0 BEAERN C[C@@H]1Cc2ccccc2N1CC(=O)NC(C)(C)C ZINC000015255372 367937668 /nfs/dbraw/zinc/93/76/68/367937668.db2.gz SOBBSFACZARKBP-LLVKDONJSA-N 0 0 246.354 2.352 10 0 BEAERN C[C@H]1CCCCC[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386916968 368035434 /nfs/dbraw/zinc/03/54/34/368035434.db2.gz CZGHHXATYJQTFY-VIFPVBQESA-N 0 0 238.287 2.137 10 0 BEAERN CCC[C@@H](NC(C)C)C(=O)OC(C)(C)C ZINC000157494548 201574796 /nfs/dbraw/zinc/57/47/96/201574796.db2.gz DUYYUWMSBGVXMU-SNVBAGLBSA-N 0 0 215.337 2.495 10 0 BEAERN C[C@@H]1SCCS[C@@H]1[C@H](O)C1CCC1 ZINC000161342953 368137484 /nfs/dbraw/zinc/13/74/84/368137484.db2.gz GTKLCBWHLFNASW-SFGNSQDASA-N 0 0 218.387 2.385 10 0 BEAERN COc1ccc(OC)c(C=O)c1Cl ZINC000215036882 368141404 /nfs/dbraw/zinc/14/14/04/368141404.db2.gz MOVUFMZHXDKADE-UHFFFAOYSA-N 0 0 200.621 2.170 10 0 BEAERN CC[S@](=O)c1cccc(-c2ccccn2)n1 ZINC000035654017 368323828 /nfs/dbraw/zinc/32/38/28/368323828.db2.gz SOTBPMMJNICFER-MRXNPFEDSA-N 0 0 232.308 2.271 10 0 BEAERN COC(=O)Cc1ccc(-c2ccc(O)cn2)cc1 ZINC000225910937 368367778 /nfs/dbraw/zinc/36/77/78/368367778.db2.gz WWLJZNIQYZZRFD-UHFFFAOYSA-N 0 0 243.262 2.170 10 0 BEAERN CC(=O)N1CCCc2cc3c(ccn3C)cc21 ZINC000038436002 368326754 /nfs/dbraw/zinc/32/67/54/368326754.db2.gz NBOQSNULXHSCTK-UHFFFAOYSA-N 0 0 228.295 2.477 10 0 BEAERN Cc1cnc2c(NCc3cccnc3)nccn12 ZINC000038590518 368327342 /nfs/dbraw/zinc/32/73/42/368327342.db2.gz OGDKJUPCELFSCS-UHFFFAOYSA-N 0 0 239.282 2.045 10 0 BEAERN CC[C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000039186736 368329506 /nfs/dbraw/zinc/32/95/06/368329506.db2.gz JFVCTUYBEURQPE-NSHDSACASA-N 0 0 222.284 2.437 10 0 BEAERN COc1cccc2c1CCC[C@@H]2CCO ZINC000039075571 368329544 /nfs/dbraw/zinc/32/95/44/368329544.db2.gz IZSJPNVUSCSICS-SNVBAGLBSA-N 0 0 206.285 2.498 10 0 BEAERN CC(C)OP(=O)(OC(C)C)[C@@H](C)O ZINC000039374873 368330556 /nfs/dbraw/zinc/33/05/56/368330556.db2.gz NNNOPUDYMBHJBR-QMMMGPOBSA-N 0 0 210.210 2.368 10 0 BEAERN COCCCc1cc(CO)c2ccccc2n1 ZINC000114337646 368341750 /nfs/dbraw/zinc/34/17/50/368341750.db2.gz PWIVIRYIBLSCQK-UHFFFAOYSA-N 0 0 231.295 2.306 10 0 BEAERN Nc1cc(-c2ccccc2)cnc1[N+](=O)[O-] ZINC000141712737 368347953 /nfs/dbraw/zinc/34/79/53/368347953.db2.gz RQBXNHSXSBOWLH-UHFFFAOYSA-N 0 0 215.212 2.239 10 0 BEAERN O=[N+]([O-])c1n[nH]c2cccc(Br)c21 ZINC000147253502 368351103 /nfs/dbraw/zinc/35/11/03/368351103.db2.gz JFBJBYBDGLRWPC-UHFFFAOYSA-N 0 0 242.032 2.234 10 0 BEAERN O=c1[nH]c(-n2cccn2)ncc1-c1ccccc1 ZINC000166473280 368352711 /nfs/dbraw/zinc/35/27/11/368352711.db2.gz ADAHIAMLANIRHR-UHFFFAOYSA-N 0 0 238.250 2.035 10 0 BEAERN CNc1cc(-c2cc(F)ccc2C)nc(N)n1 ZINC000223277012 368364374 /nfs/dbraw/zinc/36/43/74/368364374.db2.gz SWDFZPLDDRVAQM-UHFFFAOYSA-N 0 0 232.262 2.215 10 0 BEAERN Cc1cc(C=O)ncc1OCC(F)(F)F ZINC000223274070 368364427 /nfs/dbraw/zinc/36/44/27/368364427.db2.gz KOTYCOACPUUFTG-UHFFFAOYSA-N 0 0 219.162 2.144 10 0 BEAERN CCN1C(=O)c2ccccc2[C@]1(O)C(C)(C)C ZINC000048523035 368377428 /nfs/dbraw/zinc/37/74/28/368377428.db2.gz VEJIHQQARLZGCT-AWEZNQCLSA-N 0 0 233.311 2.354 10 0 BEAERN CC(C)n1ncc(C(F)(F)F)c1C=O ZINC000221537458 368402946 /nfs/dbraw/zinc/40/29/46/368402946.db2.gz VJFORMULKPMFHX-UHFFFAOYSA-N 0 0 206.167 2.295 10 0 BEAERN CSCC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000045417733 368427134 /nfs/dbraw/zinc/42/71/34/368427134.db2.gz NWTPLNNGTGDZCP-RKDXNWHRSA-N 0 0 201.335 2.044 10 0 BEAERN CC(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000107369197 368481801 /nfs/dbraw/zinc/48/18/01/368481801.db2.gz NMVBEULCFOTVFU-UHFFFAOYSA-N 0 0 201.225 2.451 10 0 BEAERN CCOCCn1cc(-c2ccc(N)cc2)cn1 ZINC000109418704 368629012 /nfs/dbraw/zinc/62/90/12/368629012.db2.gz IXIZUSNPRGYOAT-UHFFFAOYSA-N 0 0 231.299 2.169 10 0 BEAERN C[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000457002810 203000518 /nfs/dbraw/zinc/00/05/18/203000518.db2.gz NNECXIQZHKOZIP-GRYCIOLGSA-N 0 0 241.375 2.288 10 0 BEAERN CC(C)c1ccc(CCC(=O)N(C)C)cc1N ZINC000084897253 368860307 /nfs/dbraw/zinc/86/03/07/368860307.db2.gz OJMDCCAOVNJUFP-UHFFFAOYSA-N 0 0 234.343 2.413 10 0 BEAERN C[C@@H](NC(=O)NCCc1cccnc1)C(C)(C)C ZINC000112436682 368871978 /nfs/dbraw/zinc/87/19/78/368871978.db2.gz DGAQAZGOGSWACV-LLVKDONJSA-N 0 0 249.358 2.358 10 0 BEAERN C[C@@H](NC(=O)N(C)CC1CC1)C(C)(C)C ZINC000112460870 368872261 /nfs/dbraw/zinc/87/22/61/368872261.db2.gz XLQDMOBXUJNNSL-SECBINFHSA-N 0 0 212.337 2.472 10 0 BEAERN O=C1Nc2ccccc2N2CCCCC[C@H]12 ZINC000086158634 368874375 /nfs/dbraw/zinc/87/43/75/368874375.db2.gz FMMHWGDALFLAMW-GFCCVEGCSA-N 0 0 216.284 2.388 10 0 BEAERN C[C@@H]1C(=O)CCN2c3ccccc3CC[C@@H]12 ZINC000003827765 368882927 /nfs/dbraw/zinc/88/29/27/368882927.db2.gz AZJQJBOXQUMXGS-JQWIXIFHSA-N 0 0 215.296 2.417 10 0 BEAERN CCOC(=O)c1cc2cc(N)cc(C)c2[nH]1 ZINC000203930950 368886472 /nfs/dbraw/zinc/88/64/72/368886472.db2.gz QQOWJMCKDDNRCW-UHFFFAOYSA-N 0 0 218.256 2.235 10 0 BEAERN Clc1nccc(-c2cnc3ccccn32)n1 ZINC000113268760 368887986 /nfs/dbraw/zinc/88/79/86/368887986.db2.gz KIRKSADCUJTLQE-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN CC[C@H](C)CS(=O)(=O)N[C@H](C)C(C)(C)C ZINC000113292718 368889294 /nfs/dbraw/zinc/88/92/94/368889294.db2.gz LPLYMGZDAOIVGS-VHSXEESVSA-N 0 0 235.393 2.387 10 0 BEAERN COc1cc(N)ccc1OCC[C@H]1CCCO1 ZINC000087245408 368890441 /nfs/dbraw/zinc/89/04/41/368890441.db2.gz AMZPZPCCXRKGJI-LLVKDONJSA-N 0 0 237.299 2.225 10 0 BEAERN COc1ccc2c(c1)[C@@H]1[C@@H](C)C(=O)[C@@H]1C2 ZINC000225149957 368906709 /nfs/dbraw/zinc/90/67/09/368906709.db2.gz YBSUGXRPXADVAG-HFKOZYHYSA-N 0 0 202.253 2.170 10 0 BEAERN Cc1cc(/C=C2/CCOC2=O)cc(C)c1O ZINC000200710006 368909619 /nfs/dbraw/zinc/90/96/19/368909619.db2.gz JSFHPVQEMDVKEG-XFFZJAGNSA-N 0 0 218.252 2.339 10 0 BEAERN COc1ccccc1C1(O)CCC(=O)CC1 ZINC000084323210 368851706 /nfs/dbraw/zinc/85/17/06/368851706.db2.gz NRWFOZTYZRAPHJ-UHFFFAOYSA-N 0 0 220.268 2.026 10 0 BEAERN CO[C@@]1(C)CC[C@H]2O[C@](C)(OC)CC[C@@H]2O1 ZINC000135791090 368976998 /nfs/dbraw/zinc/97/69/98/368976998.db2.gz BHCCWEDEKNEZDN-IWDIQUIJSA-N 0 0 230.304 2.070 10 0 BEAERN Clc1ccc(N=NCc2ccco2)nn1 ZINC000004534987 368942444 /nfs/dbraw/zinc/94/24/44/368942444.db2.gz BPYPBDKAZUMKNX-IZZDOVSWSA-N 0 0 222.635 2.169 10 0 BEAERN O=C([O-])[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090978021 369002559 /nfs/dbraw/zinc/00/25/59/369002559.db2.gz BCBGCUBNNDPJAV-STQMWFEESA-N 0 0 245.322 2.123 10 0 BEAERN COC(=O)[C@H](C=O)c1cccc(C(F)(F)F)c1 ZINC000116071109 369019302 /nfs/dbraw/zinc/01/93/02/369019302.db2.gz UAVIRBQKHOZBIG-SECBINFHSA-N 0 0 246.184 2.161 10 0 BEAERN Cc1cc(N)cc(O)c1Br ZINC000215097362 369048288 /nfs/dbraw/zinc/04/82/88/369048288.db2.gz CNWFEQCREXWFGL-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN O[C@H](Cc1ccoc1)[C@H]1CSCCS1 ZINC000130849078 369119093 /nfs/dbraw/zinc/11/90/93/369119093.db2.gz JDJQKJLNXIOMEV-NXEZZACHSA-N 0 0 230.354 2.032 10 0 BEAERN O[C@H](Cc1ccco1)[C@H]1CCCCS1 ZINC000130871930 369122472 /nfs/dbraw/zinc/12/24/72/369122472.db2.gz KNCNBQVZNVYMKH-GHMZBOCLSA-N 0 0 212.314 2.469 10 0 BEAERN Cn1cc(CCC(=O)NCCC2CCCC2)cn1 ZINC000055179366 369135098 /nfs/dbraw/zinc/13/50/98/369135098.db2.gz VIYATJIQDAHQGR-UHFFFAOYSA-N 0 0 249.358 2.049 10 0 BEAERN CCN(C)c1nc2c(s1)C(=O)CCC2 ZINC000054861829 369105785 /nfs/dbraw/zinc/10/57/85/369105785.db2.gz ORMJISSYPQWFJU-UHFFFAOYSA-N 0 0 210.302 2.118 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ncco1 ZINC000616690721 369113720 /nfs/dbraw/zinc/11/37/20/369113720.db2.gz FTFIFAJCEDFBLF-LLVKDONJSA-N 0 0 215.256 2.278 10 0 BEAERN O=C1NCCN1[C@@H]1CCCc2ccccc21 ZINC000138425060 259536582 /nfs/dbraw/zinc/53/65/82/259536582.db2.gz AEBKMPHZMZYYEI-GFCCVEGCSA-N 0 0 216.284 2.089 10 0 BEAERN CSC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000400121747 369343681 /nfs/dbraw/zinc/34/36/81/369343681.db2.gz NFAMPSJFXGQELK-USZNOCQGSA-N 0 0 239.384 2.387 10 0 BEAERN C[C@@H]1C[C@H](c2nnc(Cl)s2)CO1 ZINC000161679115 370961296 /nfs/dbraw/zinc/96/12/96/370961296.db2.gz IQQKMGBPDAVBRR-UHNVWZDZSA-N 0 0 204.682 2.084 10 0 BEAERN COC(=O)c1sc(-c2ccc(N)cc2)cc1N ZINC000204340139 369544909 /nfs/dbraw/zinc/54/49/09/369544909.db2.gz WHFWPFPNWVZGMZ-UHFFFAOYSA-N 0 0 248.307 2.366 10 0 BEAERN O=C(Nc1cnoc1)c1cccc(F)c1F ZINC000061559014 369761549 /nfs/dbraw/zinc/76/15/49/369761549.db2.gz VBJRCHLTQOVOKK-UHFFFAOYSA-N 0 0 224.166 2.205 10 0 BEAERN Cc1cc(C)c(C(=O)NC2CC(CO)C2)c(C)c1 ZINC000620883041 370039668 /nfs/dbraw/zinc/03/96/68/370039668.db2.gz IVJHURYWZNAIKC-UHFFFAOYSA-N 0 0 247.338 2.113 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252864934 370136852 /nfs/dbraw/zinc/13/68/52/370136852.db2.gz PLZDOIHZIRALPA-WISYIIOYSA-N 0 0 207.317 2.291 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000076077996 370211824 /nfs/dbraw/zinc/21/18/24/370211824.db2.gz HUODSLZBIXYOIN-WRSRJMLGSA-N 0 0 248.301 2.389 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)C(C1CC1)C1CC1 ZINC000075981088 370197565 /nfs/dbraw/zinc/19/75/65/370197565.db2.gz DXLYLKDOZDBRDI-GZMMTYOYSA-N 0 0 222.332 2.225 10 0 BEAERN CC(C)c1nccnc1NCC1CC(C)C1 ZINC000621354191 370290068 /nfs/dbraw/zinc/29/00/68/370290068.db2.gz BGTCHBHPQJMRES-UHFFFAOYSA-N 0 0 219.332 2.480 10 0 BEAERN O=C(c1ccc(Cl)s1)c1ccnnc1 ZINC000161578365 370439047 /nfs/dbraw/zinc/43/90/47/370439047.db2.gz VLRZAORBBNGWSS-UHFFFAOYSA-N 0 0 224.672 2.423 10 0 BEAERN Clc1ccc(OCc2ccccn2)nn1 ZINC000114004172 370539127 /nfs/dbraw/zinc/53/91/27/370539127.db2.gz WCDAKHOVRNFJBJ-UHFFFAOYSA-N 0 0 221.647 2.104 10 0 BEAERN CC(=O)c1cnc(-c2nccs2)s1 ZINC000161598874 370546180 /nfs/dbraw/zinc/54/61/80/370546180.db2.gz OQUAULWXKJYWFG-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)[C@@H]2C)cc1 ZINC000225402952 370548704 /nfs/dbraw/zinc/54/87/04/370548704.db2.gz BLTOQHLIDRTTBP-SNVBAGLBSA-N 0 0 235.307 2.015 10 0 BEAERN Cc1oc2ncnc(NC(=O)[C@@H]3C[C@H]3C)c2c1C ZINC000118198508 370999128 /nfs/dbraw/zinc/99/91/28/370999128.db2.gz GYNNKSPKWOUABS-HZGVNTEJSA-N 0 0 245.282 2.434 10 0 BEAERN NNc1nc(Cl)nc2ccc(Cl)cc21 ZINC000039418081 181520075 /nfs/dbraw/zinc/52/00/75/181520075.db2.gz UDBUQEWACNTAIO-UHFFFAOYSA-N 0 0 229.070 2.222 10 0 BEAERN NOCc1nc(-c2ccccc2)cs1 ZINC000032010663 181522965 /nfs/dbraw/zinc/52/29/65/181522965.db2.gz KIWCACMZHHHPAF-UHFFFAOYSA-N 0 0 206.270 2.200 10 0 BEAERN NOCCc1cccc(C(F)(F)F)c1 ZINC000034597237 181523029 /nfs/dbraw/zinc/52/30/29/181523029.db2.gz JMSWRGOGBDGQES-UHFFFAOYSA-N 0 0 205.179 2.138 10 0 BEAERN [NH3+][C@@H](CCC(=O)[O-])c1ccc2c(c1)CCC2 ZINC000020384896 181543647 /nfs/dbraw/zinc/54/36/47/181543647.db2.gz OGAJUPQERUQGPD-LBPRGKRZSA-N 0 0 219.284 2.040 10 0 BEAERN [NH3+][C@@H](CCc1cccc2ccccc21)C(=O)[O-] ZINC000095749290 181544677 /nfs/dbraw/zinc/54/46/77/181544677.db2.gz OESPMGURVQOYRN-ZDUSSCGKSA-N 0 0 229.279 2.184 10 0 BEAERN N[C@@H](c1cccc(Cl)n1)C(F)(F)F ZINC000095761263 181563924 /nfs/dbraw/zinc/56/39/24/181563924.db2.gz QQHCZQMEAYQWKJ-LURJTMIESA-N 0 0 210.586 2.297 10 0 BEAERN [NH3+][C@H](CCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000095749229 181615932 /nfs/dbraw/zinc/61/59/32/181615932.db2.gz KGZBOALXMBRBMM-SECBINFHSA-N 0 0 248.109 2.338 10 0 BEAERN N[C@H](c1cccnc1Cl)C(F)(F)F ZINC000095641824 181633175 /nfs/dbraw/zinc/63/31/75/181633175.db2.gz DFXFHPRSPFOMIT-RXMQYKEDSA-N 0 0 210.586 2.297 10 0 BEAERN CCCCN(CCCC)C(=O)c1c[nH]nc1N ZINC000036939834 168807016 /nfs/dbraw/zinc/80/70/16/168807016.db2.gz NZUHTUAKLCOBPY-UHFFFAOYSA-N 0 0 238.335 2.034 10 0 BEAERN Nc1cc(-c2ccc(Br)o2)on1 ZINC000082295754 181673856 /nfs/dbraw/zinc/67/38/56/181673856.db2.gz YPXHSMZXNUBXKU-UHFFFAOYSA-N 0 0 229.033 2.279 10 0 BEAERN Nc1cc(-c2ccco2)nn1[C@@H]1CCCC[C@@H]1O ZINC000054600189 181674738 /nfs/dbraw/zinc/67/47/38/181674738.db2.gz OHDUCXSNUUGVIX-MNOVXSKESA-N 0 0 247.298 2.201 10 0 BEAERN Nc1cc(Br)cnc1NCC1CC1 ZINC000040713562 181677783 /nfs/dbraw/zinc/67/77/83/181677783.db2.gz OQCRMZPRDGWKKF-UHFFFAOYSA-N 0 0 242.120 2.248 10 0 BEAERN C[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC=CCC3)CC[C@@H]2O1 ZINC000249691169 259547024 /nfs/dbraw/zinc/54/70/24/259547024.db2.gz LGKKOYALEASUJZ-RQJABVFESA-N 0 0 249.354 2.369 10 0 BEAERN Nc1cc(Cn2cccn2)ccc1Cl ZINC000037402484 181685101 /nfs/dbraw/zinc/68/51/01/181685101.db2.gz UAHRQTZUWIZVSL-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Nc1cc(Cl)cnc1NCc1ccccn1 ZINC000082547806 181685103 /nfs/dbraw/zinc/68/51/03/181685103.db2.gz LXVKPNNKVVRBAU-UHFFFAOYSA-N 0 0 234.690 2.324 10 0 BEAERN Nc1cc(F)cc(NC[C@H]2CCCCO2)c1 ZINC000042814031 181685659 /nfs/dbraw/zinc/68/56/59/181685659.db2.gz DCBAKCOQCDCGMK-GFCCVEGCSA-N 0 0 224.279 2.389 10 0 BEAERN Nc1cc(F)c(NC2CCC(O)CC2)c(F)c1 ZINC000038039873 181685844 /nfs/dbraw/zinc/68/58/44/181685844.db2.gz KOTHWRFJYSUADF-UHFFFAOYSA-N 0 0 242.269 2.262 10 0 BEAERN Nc1cc(F)ccc1N[C@@H]1CCCC[C@H]1O ZINC000051997995 181687590 /nfs/dbraw/zinc/68/75/90/181687590.db2.gz NIWBBWPWVOSVPB-VXGBXAGGSA-N 0 0 224.279 2.123 10 0 BEAERN Nc1c(F)c(F)ccc1C(=O)C(F)(F)F ZINC000078193008 181665653 /nfs/dbraw/zinc/66/56/53/181665653.db2.gz DPOJHLXBXQUPHV-UHFFFAOYSA-N 0 0 225.116 2.292 10 0 BEAERN Nc1cc2c(cc1Br)CCCN2 ZINC000082359367 181691616 /nfs/dbraw/zinc/69/16/16/181691616.db2.gz OVVRFWAGGIIWPJ-UHFFFAOYSA-N 0 0 227.105 2.389 10 0 BEAERN Nc1ccc(F)c(F)c1OCC1CCOCC1 ZINC000053168389 181711204 /nfs/dbraw/zinc/71/12/04/181711204.db2.gz ZWFUZUSVKDQHJM-UHFFFAOYSA-N 0 0 243.253 2.352 10 0 BEAERN Nc1ccc(F)cc1N1CCCSCC1 ZINC000052121156 181711771 /nfs/dbraw/zinc/71/17/71/181711771.db2.gz YNEDIBVWKRGIKD-UHFFFAOYSA-N 0 0 226.320 2.351 10 0 BEAERN Nc1cccc(CNc2ncccc2F)c1 ZINC000054701104 181743848 /nfs/dbraw/zinc/74/38/48/181743848.db2.gz RICHBNLULAGMSB-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN Nc1cccc(NC(=O)N2CCCCC2)c1 ZINC000020002433 181745827 /nfs/dbraw/zinc/74/58/27/181745827.db2.gz PVBMUQCOSZJCDB-UHFFFAOYSA-N 0 0 219.288 2.287 10 0 BEAERN Nc1ccc(OC[C@H]2CCCO2)cc1Cl ZINC000050470703 181722745 /nfs/dbraw/zinc/72/27/45/181722745.db2.gz RIAVQDZOGAZKET-SECBINFHSA-N 0 0 227.691 2.480 10 0 BEAERN Nc1ccc(Sc2ccccn2)c2nonc21 ZINC000035676014 181724847 /nfs/dbraw/zinc/72/48/47/181724847.db2.gz LJTOLBJHCNDIPF-UHFFFAOYSA-N 0 0 244.279 2.351 10 0 BEAERN O=C1CSc2cc(F)cc(F)c2N1 ZINC000161728834 371556386 /nfs/dbraw/zinc/55/63/86/371556386.db2.gz IGEMWVUEJOBEHT-UHFFFAOYSA-N 0 0 201.197 2.009 10 0 BEAERN CN[C@H](c1ccncc1F)C(F)(F)F ZINC000161711774 371557411 /nfs/dbraw/zinc/55/74/11/371557411.db2.gz OKMOPTILFQJQIY-SSDOTTSWSA-N 0 0 208.158 2.044 10 0 BEAERN Nc1cccnc1[S@](=O)Cc1ccsc1 ZINC000042198277 181759491 /nfs/dbraw/zinc/75/94/91/181759491.db2.gz YLLNZLVAGQAIAE-HNNXBMFYSA-N 0 0 238.337 2.033 10 0 BEAERN CSC[C@@H](C)Nc1ccnc(Cl)n1 ZINC000131071927 371553501 /nfs/dbraw/zinc/55/35/01/371553501.db2.gz PNFWEKMGHNTREI-ZCFIWIBFSA-N 0 0 217.725 2.293 10 0 BEAERN [NH3+][C@@H](CC(=O)[O-])c1cc2ccccc2s1 ZINC000002511674 371565958 /nfs/dbraw/zinc/56/59/58/371565958.db2.gz SFXQAYKEBIXYFO-QMMMGPOBSA-N 0 0 221.281 2.376 10 0 BEAERN Cc1cncc(C(=O)Cc2ccco2)c1 ZINC000161798848 371565990 /nfs/dbraw/zinc/56/59/90/371565990.db2.gz YYWLKOJVRJRWBW-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN N[C@H](c1cccs1)c1ncccc1F ZINC000131335317 371591965 /nfs/dbraw/zinc/59/19/65/371591965.db2.gz DVWZWWGRXRZMNA-SECBINFHSA-N 0 0 208.261 2.330 10 0 BEAERN CC(=O)NCc1cc(F)cc(Br)c1 ZINC000055972843 371600118 /nfs/dbraw/zinc/60/01/18/371600118.db2.gz JJJOMJZNAKZQOP-UHFFFAOYSA-N 0 0 246.079 2.224 10 0 BEAERN Nc1nc(C(=O)Nc2ccccc2F)cs1 ZINC000055177419 181779999 /nfs/dbraw/zinc/77/99/99/181779999.db2.gz ZCICBHMTNWGPCW-UHFFFAOYSA-N 0 0 237.259 2.117 10 0 BEAERN CON[C@@H]1COc2c1cc(F)cc2Cl ZINC000131445902 371606234 /nfs/dbraw/zinc/60/62/34/371606234.db2.gz UIRPUJDSLLBIPO-MRVPVSSYSA-N 0 0 217.627 2.064 10 0 BEAERN Nc1cnn(COc2ccc(Cl)cc2F)c1 ZINC000002535017 181771760 /nfs/dbraw/zinc/77/17/60/181771760.db2.gz RFEHXMWABYBUMP-UHFFFAOYSA-N 0 0 241.653 2.294 10 0 BEAERN Cc1cc(CO)cc(Br)c1F ZINC000215654189 371608867 /nfs/dbraw/zinc/60/88/67/371608867.db2.gz YARJFDPFRPKJRA-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Clc1cncc2nnc(-c3ccoc3)n21 ZINC000162094675 371609728 /nfs/dbraw/zinc/60/97/28/371609728.db2.gz VIXWXFJFDACHOK-UHFFFAOYSA-N 0 0 220.619 2.038 10 0 BEAERN CC(C)CCc1nnc2cncc(Cl)n21 ZINC000162094090 371610407 /nfs/dbraw/zinc/61/04/07/371610407.db2.gz NQTMZIHZEYLAHB-UHFFFAOYSA-N 0 0 224.695 2.366 10 0 BEAERN CSCc1nnc2c(C)c(C)c(Cl)nn12 ZINC000162130448 371613568 /nfs/dbraw/zinc/61/35/68/371613568.db2.gz WSRPREQNUJEHIA-UHFFFAOYSA-N 0 0 242.735 2.258 10 0 BEAERN NC1(C(=O)c2sccc2Br)CC1 ZINC000226434022 371667523 /nfs/dbraw/zinc/66/75/23/371667523.db2.gz PUVZWOJAHMBNAX-UHFFFAOYSA-N 0 0 246.129 2.185 10 0 BEAERN O=C([O-])[C@@]1(CC2CCCCC2)CCC[NH2+]1 ZINC000215724282 371620753 /nfs/dbraw/zinc/62/07/53/371620753.db2.gz QLXDHPKFSXXHPM-LBPRGKRZSA-N 0 0 211.305 2.164 10 0 BEAERN CC(=O)c1ccc(N2CCSC[C@H]2C)o1 ZINC000131564773 371625612 /nfs/dbraw/zinc/62/56/12/371625612.db2.gz CVYFEPKZSNCMSX-MRVPVSSYSA-N 0 0 225.313 2.424 10 0 BEAERN C[C@@H](O)CNc1cc(F)cc(Cl)c1 ZINC000230002628 371632906 /nfs/dbraw/zinc/63/29/06/371632906.db2.gz MAPAZCPHTCLCBM-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN COc1c(O)ccc(C(F)(F)F)c1OC ZINC000215933929 371659626 /nfs/dbraw/zinc/65/96/26/371659626.db2.gz KEVKTFWLYRHSKR-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN O=C1CC(c2ccc(Br)o2)C1 ZINC000131876502 371703759 /nfs/dbraw/zinc/70/37/59/371703759.db2.gz ZLUQOBFPJXWVFA-UHFFFAOYSA-N 0 0 215.046 2.489 10 0 BEAERN C[C@H](CO)Sc1ccncc1Cl ZINC000162522020 371704694 /nfs/dbraw/zinc/70/46/94/371704694.db2.gz CIDSQGNGEBGCKX-ZCFIWIBFSA-N 0 0 203.694 2.208 10 0 BEAERN C[C@@H](CO)Sc1ccncc1Cl ZINC000162521892 371704746 /nfs/dbraw/zinc/70/47/46/371704746.db2.gz CIDSQGNGEBGCKX-LURJTMIESA-N 0 0 203.694 2.208 10 0 BEAERN Nc1nc2nccc(C(F)(F)F)c2s1 ZINC000299889006 181795868 /nfs/dbraw/zinc/79/58/68/181795868.db2.gz BYKSSEZWWHWNEE-UHFFFAOYSA-N 0 0 219.191 2.292 10 0 BEAERN C[C@@H](Nc1ncc(N)s1)c1ccco1 ZINC000226729247 371730950 /nfs/dbraw/zinc/73/09/50/371730950.db2.gz NRRXGIPANUKBBK-ZCFIWIBFSA-N 0 0 209.274 2.491 10 0 BEAERN Cc1nc(Cl)c(S[C@@H](C)CO)nc1C ZINC000162479412 371695524 /nfs/dbraw/zinc/69/55/24/371695524.db2.gz ARRVEPWZTOXIPC-YFKPBYRVSA-N 0 0 232.736 2.220 10 0 BEAERN CN(C)c1nc(N)c(Cl)cc1Cl ZINC000226556490 371696262 /nfs/dbraw/zinc/69/62/62/371696262.db2.gz YWIRWWPTFXUVKB-UHFFFAOYSA-N 0 0 206.076 2.037 10 0 BEAERN COc1cc(N)c(Br)c(F)c1 ZINC000216091414 371696820 /nfs/dbraw/zinc/69/68/20/371696820.db2.gz SEPJTQDYNZQSME-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN C[C@H](CO)Sc1nc(Cl)ncc1Cl ZINC000162491541 371700636 /nfs/dbraw/zinc/70/06/36/371700636.db2.gz IWILVFCEGBAKHV-SCSAIBSYSA-N 0 0 239.127 2.256 10 0 BEAERN [NH3+]C1(C(=O)c2cc(F)cc(F)c2)CCC1 ZINC000226780735 371743456 /nfs/dbraw/zinc/74/34/56/371743456.db2.gz DTUZNTJLJLMNQC-UHFFFAOYSA-N 0 0 211.211 2.029 10 0 BEAERN CC(C)[C@@H]1CO[C@@H]2c3ccccc3C(=O)N12 ZINC000029390904 371755646 /nfs/dbraw/zinc/75/56/46/371755646.db2.gz CIFJRLVDQGKMIV-WCQYABFASA-N 0 0 217.268 2.196 10 0 BEAERN C[C@@H]1CC[C@H](C)[C@](CC(=O)[O-])([NH+](C)C)C1 ZINC000227058149 371775514 /nfs/dbraw/zinc/77/55/14/371775514.db2.gz UOVFWFJDWVMTJZ-SCVCMEIPSA-N 0 0 213.321 2.218 10 0 BEAERN Nc1ncnc2c1ccn2Cc1ccccc1 ZINC000001698090 181809198 /nfs/dbraw/zinc/80/91/98/181809198.db2.gz MVGFGIPARVXFKB-UHFFFAOYSA-N 0 0 224.267 2.062 10 0 BEAERN C[C@]1(C(=O)C2CCSCC2)C[C@H]1F ZINC000401779834 371817024 /nfs/dbraw/zinc/81/70/24/371817024.db2.gz AVJMRLMHAFOIIN-SCZZXKLOSA-N 0 0 202.294 2.447 10 0 BEAERN COc1cc(Br)cc(CO)c1F ZINC000216889996 371834986 /nfs/dbraw/zinc/83/49/86/371834986.db2.gz TZGCACKTGMRUHE-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN COC(=O)c1c(OC)ccc(Cl)c1OC ZINC000162711545 371826240 /nfs/dbraw/zinc/82/62/40/371826240.db2.gz XEQGCRUQTOLTJL-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN Nc1sccc1-c1nnc2ccccn21 ZINC000100649408 181821006 /nfs/dbraw/zinc/82/10/06/181821006.db2.gz JNPNPZNJXFOHLI-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN C[C@@H]1OCC[C@@H]1c1nc(Br)ns1 ZINC000230109247 371850500 /nfs/dbraw/zinc/85/05/00/371850500.db2.gz NEZUJTMNIXVJGU-WHFBIAKZSA-N 0 0 249.133 2.193 10 0 BEAERN Brc1nsc([C@H]2CCCO2)n1 ZINC000230108885 371850738 /nfs/dbraw/zinc/85/07/38/371850738.db2.gz BXUYOJXPYRKJAH-SCSAIBSYSA-N 0 0 235.106 2.152 10 0 BEAERN C[C@@H]1C[C@H]1c1nc(Br)ns1 ZINC000230110066 371852219 /nfs/dbraw/zinc/85/22/19/371852219.db2.gz OTXAUPCDVSFOFE-QWWZWVQMSA-N 0 0 219.107 2.424 10 0 BEAERN Clc1nsc(C2CCOCC2)n1 ZINC000230113996 371853716 /nfs/dbraw/zinc/85/37/16/371853716.db2.gz FQZOAQMVWAHEFZ-UHFFFAOYSA-N 0 0 204.682 2.086 10 0 BEAERN C[C@@H]1[C@H](C)SCCN1c1nccnc1Cl ZINC000132602447 371869947 /nfs/dbraw/zinc/86/99/47/371869947.db2.gz FUWQGLQTOGKMML-SFYZADRCSA-N 0 0 243.763 2.460 10 0 BEAERN CCc1cc(CC)n(-c2nccs2)n1 ZINC000132636815 371879317 /nfs/dbraw/zinc/87/93/17/371879317.db2.gz FGPJKHFQLOXZMR-UHFFFAOYSA-N 0 0 207.302 2.454 10 0 BEAERN C[C@H]1Sc2nc(Cl)ccc2NC1=O ZINC000162760883 371840443 /nfs/dbraw/zinc/84/04/43/371840443.db2.gz XRJPGBVLYYZBCM-SCSAIBSYSA-N 0 0 214.677 2.168 10 0 BEAERN CSCC(=O)Nc1cnccc1Cl ZINC000227605290 371902421 /nfs/dbraw/zinc/90/24/21/371902421.db2.gz RSMPNBXXVVKSPO-UHFFFAOYSA-N 0 0 216.693 2.037 10 0 BEAERN Fc1cc(NCc2cccnc2)ccn1 ZINC000227640105 371911813 /nfs/dbraw/zinc/91/18/13/371911813.db2.gz BZQPOIACOLFPRL-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN C[C@@]1(CNc2ccnc(F)c2)CCCO1 ZINC000227645805 371913122 /nfs/dbraw/zinc/91/31/22/371913122.db2.gz WXXHPNZZTMBWJY-NSHDSACASA-N 0 0 210.252 2.202 10 0 BEAERN CC(C)(C)c1ccc([C@H](O)CO)s1 ZINC000132803950 371924889 /nfs/dbraw/zinc/92/48/89/371924889.db2.gz BJNZNUYRRIBDIV-SSDOTTSWSA-N 0 0 200.303 2.071 10 0 BEAERN O=C1C[C@@H](c2sccc2Br)N1 ZINC000228023478 371977520 /nfs/dbraw/zinc/97/75/20/371977520.db2.gz IEQJIVWFSJNRBI-YFKPBYRVSA-N 0 0 232.102 2.072 10 0 BEAERN CC(C)C(=O)[C@H]1SCCS[C@@H]1C ZINC000228077548 371986217 /nfs/dbraw/zinc/98/62/17/371986217.db2.gz FAKZUCHRMPFEAE-APPZFPTMSA-N 0 0 204.360 2.449 10 0 BEAERN CCN1C(=S)N=NC1[C@]1(C)CCCS1 ZINC000228199468 372002951 /nfs/dbraw/zinc/00/29/51/372002951.db2.gz MYUYTIRDCJMXFA-VIFPVBQESA-N 0 0 229.374 2.329 10 0 BEAERN CCN1C(=S)N=NC1c1occc1C ZINC000228199631 372003004 /nfs/dbraw/zinc/00/30/04/372003004.db2.gz PHEUETDTPQLZID-UHFFFAOYSA-N 0 0 209.274 2.155 10 0 BEAERN C[C@@H]1CCN(c2cc(F)ncn2)[C@@H](C)C1 ZINC000228115136 371993171 /nfs/dbraw/zinc/99/31/71/371993171.db2.gz UEQSMSFAGANJPW-BDAKNGLRSA-N 0 0 209.268 2.241 10 0 BEAERN CCN1C(=S)N=NC1[C@@]1(C)CCCS1 ZINC000228199460 372003176 /nfs/dbraw/zinc/00/31/76/372003176.db2.gz MYUYTIRDCJMXFA-SECBINFHSA-N 0 0 229.374 2.329 10 0 BEAERN Cc1sccc1C(=O)c1cnns1 ZINC000227888196 371949304 /nfs/dbraw/zinc/94/93/04/371949304.db2.gz NXSQWLCGAJYOLL-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN Brc1cnc(N2CC=CC2)s1 ZINC000133295763 372018920 /nfs/dbraw/zinc/01/89/20/372018920.db2.gz JINOVSZONHWHFE-UHFFFAOYSA-N 0 0 231.118 2.282 10 0 BEAERN COC[C@@H](C)c1nc2c(s1)C(=O)CCC2 ZINC000163692790 372032133 /nfs/dbraw/zinc/03/21/33/372032133.db2.gz PMFUXVUYNVJDSG-SSDOTTSWSA-N 0 0 225.313 2.412 10 0 BEAERN CC1CN(c2ncccc2Br)C1 ZINC000133434161 372048834 /nfs/dbraw/zinc/04/88/34/372048834.db2.gz ZFDMOZGGZAMLCA-UHFFFAOYSA-N 0 0 227.105 2.300 10 0 BEAERN CC(C)CN1C(=S)N=NC1[C@H]1C[C@@H]1C ZINC000228212636 372004070 /nfs/dbraw/zinc/00/40/70/372004070.db2.gz QCQXXJHGFIAYFR-YUMQZZPRSA-N 0 0 211.334 2.346 10 0 BEAERN C[C@H]1C[C@H]1C1N=NC(=S)N1C(C)(C)C ZINC000228210648 372004926 /nfs/dbraw/zinc/00/49/26/372004926.db2.gz XBTOCRYAEWGJBA-NKWVEPMBSA-N 0 0 211.334 2.445 10 0 BEAERN Cn1cnnc1-c1cccc(F)c1Cl ZINC000228236652 372005699 /nfs/dbraw/zinc/00/56/99/372005699.db2.gz MIWGPMCVYRTNOL-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN Cn1cnnc1-c1ccc(Cl)cc1F ZINC000228238913 372006367 /nfs/dbraw/zinc/00/63/67/372006367.db2.gz CKUOPYWYKHFMEF-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN O=C(/C=C\c1cccs1)NC[C@H]1CCCO1 ZINC000033455771 181850662 /nfs/dbraw/zinc/85/06/62/181850662.db2.gz XBRMYHOFSPOFPL-WWQCOOJYSA-N 0 0 237.324 2.057 10 0 BEAERN Cc1cc(C(=O)Cc2cccnc2)co1 ZINC000228641326 372062987 /nfs/dbraw/zinc/06/29/87/372062987.db2.gz AQMQBCRGYAPOHR-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN CCc1nc([C@@H]2CSCCN2)cs1 ZINC000133503200 372064083 /nfs/dbraw/zinc/06/40/83/372064083.db2.gz GGVBMFALHQBILT-ZETCQYMHSA-N 0 0 214.359 2.083 10 0 BEAERN C[C@H](Nc1ccc(Cl)nn1)C(F)F ZINC000306742894 372064955 /nfs/dbraw/zinc/06/49/55/372064955.db2.gz GMEZTOSHIXLRIF-BYPYZUCNSA-N 0 0 207.611 2.196 10 0 BEAERN CC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000058603508 372069141 /nfs/dbraw/zinc/06/91/41/372069141.db2.gz KEFISZDIPXYONR-YUMQZZPRSA-N 0 0 209.211 2.244 10 0 BEAERN C[C@H]1C[C@]1(O)c1ncccc1Br ZINC000231807121 372080180 /nfs/dbraw/zinc/08/01/80/372080180.db2.gz YBVABGXYXQMCNM-IMTBSYHQSA-N 0 0 228.089 2.072 10 0 BEAERN CCOc1cccc([C@@H]2CCC(=O)O2)c1 ZINC000228843132 372084335 /nfs/dbraw/zinc/08/43/35/372084335.db2.gz HSJCEUQOCHJTDD-NSHDSACASA-N 0 0 206.241 2.463 10 0 BEAERN O=c1[nH]cnc2c(Cl)c(Cl)ccc12 ZINC000133654431 372084797 /nfs/dbraw/zinc/08/47/97/372084797.db2.gz LUAJVEZUTYZKHD-UHFFFAOYSA-N 0 0 215.039 2.230 10 0 BEAERN COc1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@H]1C ZINC000058715735 372085399 /nfs/dbraw/zinc/08/53/99/372085399.db2.gz BCLJICOCFRZGNY-BXKDBHETSA-N 0 0 231.295 2.240 10 0 BEAERN COC(=O)[C@@H]1C[C@@H]2CC[C@H](F)C[C@@H]2C1 ZINC000606303437 372093449 /nfs/dbraw/zinc/09/34/49/372093449.db2.gz FKFCPOWZHKWWCN-QEYWKRMJSA-N 0 0 200.253 2.324 10 0 BEAERN CN[C@@H](c1ccncc1F)C(C)(F)F ZINC000307646401 372136069 /nfs/dbraw/zinc/13/60/69/372136069.db2.gz MVQSWCWIFPUJOH-QMMMGPOBSA-N 0 0 204.195 2.136 10 0 BEAERN CC(C)(O)c1scnc1Br ZINC000232577386 372147148 /nfs/dbraw/zinc/14/71/48/372147148.db2.gz HZJASYHJCLILOY-UHFFFAOYSA-N 0 0 222.107 2.133 10 0 BEAERN Nc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000059206290 372149343 /nfs/dbraw/zinc/14/93/43/372149343.db2.gz WZAPNHVPHXZTLI-UHFFFAOYSA-N 0 0 207.016 2.484 10 0 BEAERN NN[C@H](C1CCCC1)[C@H]1CCCCS1 ZINC000229674759 372181049 /nfs/dbraw/zinc/18/10/49/372181049.db2.gz WUGQHGVGOVHEDL-GHMZBOCLSA-N 0 0 214.378 2.294 10 0 BEAERN CC(C)[C@@H](O)[C@@H](O)c1ccc(Cl)cc1 ZINC000232709595 372155123 /nfs/dbraw/zinc/15/51/23/372155123.db2.gz XISOASBFYUVDJN-MNOVXSKESA-N 0 0 214.692 2.390 10 0 BEAERN COc1ccsc1[C@@H](O)c1ccco1 ZINC000229500139 372158364 /nfs/dbraw/zinc/15/83/64/372158364.db2.gz BVAAIZGJKWWKCY-VIFPVBQESA-N 0 0 210.254 2.431 10 0 BEAERN CC(C)[C@H](O)C(=O)c1cccc(F)c1F ZINC000232758173 372158406 /nfs/dbraw/zinc/15/84/06/372158406.db2.gz LXDGYYUMYSHCHT-JTQLQIEISA-N 0 0 214.211 2.164 10 0 BEAERN CN(C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000134109086 372161442 /nfs/dbraw/zinc/16/14/42/372161442.db2.gz XOLFKDGYZBARKE-LLVKDONJSA-N 0 0 210.708 2.394 10 0 BEAERN CCN1CC(=O)Nc2cc(Cl)ccc21 ZINC000032237970 372165660 /nfs/dbraw/zinc/16/56/60/372165660.db2.gz LIFBMMAUSPTPAU-UHFFFAOYSA-N 0 0 210.664 2.118 10 0 BEAERN NN[C@@H](c1ccsc1)[C@@H]1CCCS1 ZINC000229663723 372179720 /nfs/dbraw/zinc/17/97/20/372179720.db2.gz UYWROQAWGDUTIJ-IUCAKERBSA-N 0 0 214.359 2.148 10 0 BEAERN CCOC(=O)c1cn2c(n1)c(F)ccc2Cl ZINC000396168998 259550523 /nfs/dbraw/zinc/55/05/23/259550523.db2.gz PKMCNLVXBHCADB-UHFFFAOYSA-N 0 0 242.637 2.304 10 0 BEAERN CON[C@@H](C)c1cc(F)c(C)cc1F ZINC000134229286 372184997 /nfs/dbraw/zinc/18/49/97/372184997.db2.gz UMAAGKIDKMLJQW-ZETCQYMHSA-N 0 0 201.216 2.485 10 0 BEAERN NN[C@H](c1ccccc1F)C(F)(F)Cl ZINC000229806675 372196063 /nfs/dbraw/zinc/19/60/63/372196063.db2.gz SBYUTWNPGNXSOV-SSDOTTSWSA-N 0 0 224.613 2.162 10 0 BEAERN Cc1cccc([C@@H](NN)C(F)(F)Cl)c1 ZINC000229807139 372196757 /nfs/dbraw/zinc/19/67/57/372196757.db2.gz FAFLQZIRYZGYOL-MRVPVSSYSA-N 0 0 220.650 2.331 10 0 BEAERN CCCCN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000033878684 168824998 /nfs/dbraw/zinc/82/49/98/168824998.db2.gz YAHJRAUNYSEJKY-CYBMUJFWSA-N 0 0 245.322 2.404 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000171056395 372282234 /nfs/dbraw/zinc/28/22/34/372282234.db2.gz YPWUDWDGINYNJR-FBCQKBJTSA-N 0 0 247.191 2.381 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)C(C)(C)OCC ZINC000631571414 372431162 /nfs/dbraw/zinc/43/11/62/372431162.db2.gz DNOGXOKEZMFVEU-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN NC(=O)c1c(F)cc(Cl)cc1Cl ZINC000140520748 372703351 /nfs/dbraw/zinc/70/33/51/372703351.db2.gz FGTPYVXUOCVLPP-UHFFFAOYSA-N 0 0 208.019 2.231 10 0 BEAERN CC(C)n1nnnc1CN(C1CC1)C1CCCC1 ZINC000171616338 372710817 /nfs/dbraw/zinc/71/08/17/372710817.db2.gz DGGZZAOKBQCZRV-UHFFFAOYSA-N 0 0 249.362 2.161 10 0 BEAERN O=C(c1nccn1-c1ccccn1)c1ccccc1 ZINC000008435975 372714980 /nfs/dbraw/zinc/71/49/80/372714980.db2.gz DISKZFHVENIUPO-UHFFFAOYSA-N 0 0 249.273 2.498 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCS[C@H](C)C1 ZINC000171730490 372744085 /nfs/dbraw/zinc/74/40/85/372744085.db2.gz MBEMINCYZXGAKP-ZJUUUORDSA-N 0 0 230.377 2.178 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@H](C)[S@]2=O ZINC000038974451 372838708 /nfs/dbraw/zinc/83/87/08/372838708.db2.gz YZSUKYPILWHVQV-RTHLEPHNSA-N 0 0 208.282 2.078 10 0 BEAERN O=C(COc1ccc(O)cc1)N1CCCCCC1 ZINC000036896756 182001713 /nfs/dbraw/zinc/00/17/13/182001713.db2.gz PNAUPRDQVJZRDT-UHFFFAOYSA-N 0 0 249.310 2.174 10 0 BEAERN CCCCn1c(=O)oc(=O)c2cccc(C)c21 ZINC000039287815 372930217 /nfs/dbraw/zinc/93/02/17/372930217.db2.gz JNFVKUHVUHRCSN-UHFFFAOYSA-N 0 0 233.267 2.063 10 0 BEAERN CC(C)n1c(=O)oc(=O)c2cccc(Cl)c21 ZINC000039288082 372931917 /nfs/dbraw/zinc/93/19/17/372931917.db2.gz MYIKEBUDZGCRFH-UHFFFAOYSA-N 0 0 239.658 2.189 10 0 BEAERN CCCCn1c(Cl)c(C=O)sc1=O ZINC000039288524 372932312 /nfs/dbraw/zinc/93/23/12/372932312.db2.gz OIACYKCJWYUYBG-UHFFFAOYSA-N 0 0 219.693 2.176 10 0 BEAERN C[C@H](NC(=O)N(C)C1CCCC1)[C@@H]1CCCO1 ZINC000172310074 372937783 /nfs/dbraw/zinc/93/77/83/372937783.db2.gz XSRUZNVBMULECX-JQWIXIFHSA-N 0 0 240.347 2.138 10 0 BEAERN COc1cccc(COc2ccc(N)c(N)c2)c1 ZINC000141411273 372942685 /nfs/dbraw/zinc/94/26/85/372942685.db2.gz ZHMZIVKTHGPNMR-UHFFFAOYSA-N 0 0 244.294 2.439 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCSC[C@H]1C ZINC000172343255 372950464 /nfs/dbraw/zinc/95/04/64/372950464.db2.gz QMIYAZYLCKQQRP-NXEZZACHSA-N 0 0 230.377 2.178 10 0 BEAERN O=C(Cc1ccc[nH]1)NC1CCCCCC1 ZINC000074701212 182039348 /nfs/dbraw/zinc/03/93/48/182039348.db2.gz GKADSERTLURFOO-UHFFFAOYSA-N 0 0 220.316 2.396 10 0 BEAERN O=C(NCc1cc[nH]n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000172853908 373095286 /nfs/dbraw/zinc/09/52/86/373095286.db2.gz NCIOVTRSYFSKOA-STQMWFEESA-N 0 0 247.342 2.242 10 0 BEAERN CCn1ccnc1-c1ccccc1C=O ZINC000069030738 373109198 /nfs/dbraw/zinc/10/91/98/373109198.db2.gz XLOSWMFHWQYBAM-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN O=C(N1CCCC[C@@H]1c1cn[nH]c1)C(F)(F)F ZINC000082278004 182081001 /nfs/dbraw/zinc/08/10/01/182081001.db2.gz VJLRISYHZPJGEM-MRVPVSSYSA-N 0 0 247.220 2.026 10 0 BEAERN O=C(NC1CC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109080138 182098732 /nfs/dbraw/zinc/09/87/32/182098732.db2.gz IPGZXVNTUSTGLP-UWVGGRQHSA-N 0 0 237.249 2.347 10 0 BEAERN O=C(NC1CCC1)N1C[C@H]2CCCC[C@H]21 ZINC000368624780 182103723 /nfs/dbraw/zinc/10/37/23/182103723.db2.gz ONNLPFNURAGTGA-MWLCHTKSSA-N 0 0 208.305 2.123 10 0 BEAERN O=C(NC1CCC1)N[C@@H]1CCOc2ccccc21 ZINC000134457152 182104829 /nfs/dbraw/zinc/10/48/29/182104829.db2.gz FIKFSIJLBLOKDQ-GFCCVEGCSA-N 0 0 246.310 2.362 10 0 BEAERN O=C(NC1CCC1)N[C@H]1CCOc2ccccc21 ZINC000134457173 182105290 /nfs/dbraw/zinc/10/52/90/182105290.db2.gz FIKFSIJLBLOKDQ-LBPRGKRZSA-N 0 0 246.310 2.362 10 0 BEAERN O=C(NC1CCCCC1)c1cnn2c1CCCC2 ZINC000125880012 182114866 /nfs/dbraw/zinc/11/48/66/182114866.db2.gz VTAFXBAXYXLOOB-UHFFFAOYSA-N 0 0 247.342 2.282 10 0 BEAERN C[C@H](NC(=O)NCC1(C)CCC1)[C@@H]1CCCO1 ZINC000176632887 205592209 /nfs/dbraw/zinc/59/22/09/205592209.db2.gz RFOSKJKOVGQVTH-QWRGUYRKSA-N 0 0 240.347 2.043 10 0 BEAERN O=Cc1ccc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000069622985 373545558 /nfs/dbraw/zinc/54/55/58/373545558.db2.gz OKHGFRKKCIRDDS-SECBINFHSA-N 0 0 226.659 2.320 10 0 BEAERN CC(C)n1cc(C=O)c(-c2nccs2)n1 ZINC000069636426 373561738 /nfs/dbraw/zinc/56/17/38/373561738.db2.gz KXAHLRFWESOBPW-UHFFFAOYSA-N 0 0 221.285 2.400 10 0 BEAERN COc1ccc2c(Cl)nc(N(C)C)nc2c1 ZINC000142570506 373624517 /nfs/dbraw/zinc/62/45/17/373624517.db2.gz MOGNAXQDMUVGLA-UHFFFAOYSA-N 0 0 237.690 2.358 10 0 BEAERN O=C(NCCC1=CCCC1)C1=COCCC1 ZINC000131002166 182151473 /nfs/dbraw/zinc/15/14/73/182151473.db2.gz ZUSSDPVJYVQQCS-UHFFFAOYSA-N 0 0 221.300 2.297 10 0 BEAERN CCCCNC(=O)Nc1ccc(C)c(N)c1 ZINC000020256306 168854218 /nfs/dbraw/zinc/85/42/18/168854218.db2.gz SQNHIKACHVLBRZ-UHFFFAOYSA-N 0 0 221.304 2.499 10 0 BEAERN CCC[C@@H]1C[C@]2(CCO1)CC(=O)CCO2 ZINC000069900327 373973560 /nfs/dbraw/zinc/97/35/60/373973560.db2.gz QUJDJFLXQLNTKG-NEPJUHHUSA-N 0 0 212.289 2.084 10 0 BEAERN C[C@@H]1CC(=O)c2cccc(Cl)c2[S@]1=O ZINC000040972981 373974308 /nfs/dbraw/zinc/97/43/08/373974308.db2.gz FHCUUWHNILBCDD-RWBAJPLHSA-N 0 0 228.700 2.423 10 0 BEAERN Clc1nnc([C@H]2CCSC2)s1 ZINC000070006009 374109879 /nfs/dbraw/zinc/10/98/79/374109879.db2.gz JDCOCXCFYISALI-BYPYZUCNSA-N 0 0 206.723 2.412 10 0 BEAERN CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173927291 374115753 /nfs/dbraw/zinc/11/57/53/374115753.db2.gz JNJYLHMPPVNJHD-JTQLQIEISA-N 0 0 229.283 2.069 10 0 BEAERN CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173927305 374116817 /nfs/dbraw/zinc/11/68/17/374116817.db2.gz JNJYLHMPPVNJHD-SNVBAGLBSA-N 0 0 229.283 2.069 10 0 BEAERN Cc1ccc(C(=O)c2nccn2C)s1 ZINC000041041730 374099984 /nfs/dbraw/zinc/09/99/84/374099984.db2.gz VVEOTKQHKVWRQF-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN Nc1ccc(F)cc1Oc1nncs1 ZINC000069967083 374104598 /nfs/dbraw/zinc/10/45/98/374104598.db2.gz CDGZRXJZVOENTG-UHFFFAOYSA-N 0 0 211.221 2.052 10 0 BEAERN CCC(C)(C)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000192203008 205945970 /nfs/dbraw/zinc/94/59/70/205945970.db2.gz ZFNJUKFQLIJDIF-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN O=S1(=O)c2ccccc2[C@H]2C=CC=C[C@@H]21 ZINC000143220178 374145236 /nfs/dbraw/zinc/14/52/36/374145236.db2.gz BEPGSIQDJDUFBA-KOLCDFICSA-N 0 0 218.277 2.052 10 0 BEAERN CCCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117562682 168856615 /nfs/dbraw/zinc/85/66/15/168856615.db2.gz HEFFHXHBKSLCTN-GXFFZTMASA-N 0 0 233.311 2.467 10 0 BEAERN Nc1ccc(F)c(C(=O)c2ccco2)c1 ZINC000070671649 374173426 /nfs/dbraw/zinc/17/34/26/374173426.db2.gz CJPNBHCRHWFZDX-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000246141699 374174692 /nfs/dbraw/zinc/17/46/92/374174692.db2.gz RFKLBXCEHWCDRF-RCWTZXSCSA-N 0 0 210.321 2.273 10 0 BEAERN COC[C@@H](C)n1ccc2c1CCCC2=O ZINC000041705714 374178795 /nfs/dbraw/zinc/17/87/95/374178795.db2.gz JEBQYNUZSHKHDP-SECBINFHSA-N 0 0 207.273 2.215 10 0 BEAERN C[N@H+](C1CCCC1)C1(C(=O)[O-])CCCC1 ZINC000041857839 374193671 /nfs/dbraw/zinc/19/36/71/374193671.db2.gz HSZZUFCPGRYICD-UHFFFAOYSA-N 0 0 211.305 2.258 10 0 BEAERN CC[C@](C)(CO)Nc1cccc(Cl)n1 ZINC000070898237 374226130 /nfs/dbraw/zinc/22/61/30/374226130.db2.gz YRNHHMNLNNKNBN-SNVBAGLBSA-N 0 0 214.696 2.308 10 0 BEAERN Cc1cccnc1Cn1cc[nH]c1=S ZINC000070909319 374228185 /nfs/dbraw/zinc/22/81/85/374228185.db2.gz FEYALRSZMMWLAD-UHFFFAOYSA-N 0 0 205.286 2.297 10 0 BEAERN CCCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000041782214 374186174 /nfs/dbraw/zinc/18/61/74/374186174.db2.gz NWSSTJLKEJLNNP-ZETCQYMHSA-N 0 0 210.104 2.097 10 0 BEAERN Cc1n[nH]c(=S)n1[C@@H](C)c1nccs1 ZINC000070734321 374186208 /nfs/dbraw/zinc/18/62/08/374186208.db2.gz DQMZIWIGLMJAOY-YFKPBYRVSA-N 0 0 226.330 2.315 10 0 BEAERN Nc1ncc(Cl)cc1[C@H]1CCC(=O)C1 ZINC000070738182 374186342 /nfs/dbraw/zinc/18/63/42/374186342.db2.gz YLPDZFKOISZJIL-LURJTMIESA-N 0 0 210.664 2.154 10 0 BEAERN CC(C)(C)NC(=O)C1(Br)CCC1 ZINC000071777497 374287110 /nfs/dbraw/zinc/28/71/10/374287110.db2.gz OVGNJDOPJCYGDP-UHFFFAOYSA-N 0 0 234.137 2.219 10 0 BEAERN CCCCNC(=O)c1cc2cc(N)ccc2[nH]1 ZINC000059971301 168861225 /nfs/dbraw/zinc/86/12/25/168861225.db2.gz CLCGGFVIEDMICN-UHFFFAOYSA-N 0 0 231.299 2.280 10 0 BEAERN CCCCNC(=O)c1cccc(C)c1N ZINC000019266144 168863066 /nfs/dbraw/zinc/86/30/66/168863066.db2.gz YRUZFYRNYOJEDD-UHFFFAOYSA-N 0 0 206.289 2.107 10 0 BEAERN O=C(N[C@H]1CCOc2ccccc21)C1CC1 ZINC000007218551 182338706 /nfs/dbraw/zinc/33/87/06/182338706.db2.gz SCYQFNVPBRGLFQ-NSHDSACASA-N 0 0 217.268 2.036 10 0 BEAERN O=C(N[C@H]1CCc2ccccc2C1)N1CCCC1 ZINC000133895469 182341049 /nfs/dbraw/zinc/34/10/49/182341049.db2.gz FUTLUYLIOYWJTG-AWEZNQCLSA-N 0 0 244.338 2.349 10 0 BEAERN O=C(Nc1ccccn1)c1ccc2c(c1)CCN2 ZINC000034962004 182382505 /nfs/dbraw/zinc/38/25/05/182382505.db2.gz QBKPMEKVJVSZNK-UHFFFAOYSA-N 0 0 239.278 2.302 10 0 BEAERN CCOC(=O)C(C)(C)NCCC1CCCC1 ZINC000121523547 170187285 /nfs/dbraw/zinc/18/72/85/170187285.db2.gz WVTOMOFUAWKSHR-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000037968993 182526717 /nfs/dbraw/zinc/52/67/17/182526717.db2.gz QRQSRIBIIMDJDT-GFCCVEGCSA-N 0 0 237.274 2.484 10 0 BEAERN O=C(OCCOc1ccccc1)c1cccnc1 ZINC000003631230 182602204 /nfs/dbraw/zinc/60/22/04/182602204.db2.gz UUKRLHOSQNZWEN-UHFFFAOYSA-N 0 0 243.262 2.317 10 0 BEAERN O=C(OCCc1ccccc1)C(F)(F)F ZINC000021989758 182603533 /nfs/dbraw/zinc/60/35/33/182603533.db2.gz JQKSSRRXELCGQS-UHFFFAOYSA-N 0 0 218.174 2.335 10 0 BEAERN O=C([C@H]1CCc2ccccc2N1)N1CCCCC1 ZINC000055352650 182640771 /nfs/dbraw/zinc/64/07/71/182640771.db2.gz NPQRFHXYSJSQOG-CQSZACIVSA-N 0 0 244.338 2.426 10 0 BEAERN O=C(c1ccc(=O)[nH]c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000362841532 182663468 /nfs/dbraw/zinc/66/34/68/182663468.db2.gz VFBAHMVAAPBZDZ-NWDGAFQWSA-N 0 0 246.310 2.192 10 0 BEAERN O=C(c1cccc(OCC2CC2)c1)n1ccnc1 ZINC000073712198 182673518 /nfs/dbraw/zinc/67/35/18/182673518.db2.gz MKBBEWBTNYLOOV-UHFFFAOYSA-N 0 0 242.278 2.360 10 0 BEAERN O=C(c1ccc2c(c1)OCCO2)[C@H]1CCCOC1 ZINC000062194845 182666341 /nfs/dbraw/zinc/66/63/41/182666341.db2.gz JLJKRAPJXIAQTL-NSHDSACASA-N 0 0 248.278 2.067 10 0 BEAERN O=C(c1ccccc1)n1ccc2[nH]c(=O)ccc21 ZINC000150024857 182678862 /nfs/dbraw/zinc/67/88/62/182678862.db2.gz OESALJVYFXALCC-UHFFFAOYSA-N 0 0 238.246 2.018 10 0 BEAERN O=C(c1cnccc1Cl)C(F)(F)F ZINC000095761368 182699757 /nfs/dbraw/zinc/69/97/57/182699757.db2.gz QGSFNQYLAJIHAY-UHFFFAOYSA-N 0 0 209.554 2.480 10 0 BEAERN CCOC(=O)Nc1cc(C)c(C)cc1N ZINC000050439588 170243252 /nfs/dbraw/zinc/24/32/52/170243252.db2.gz MGOUEOAIRXGLHV-UHFFFAOYSA-N 0 0 208.261 2.454 10 0 BEAERN CCOC(=O)N[C@H](C)c1ccccc1N ZINC000037179021 170243448 /nfs/dbraw/zinc/24/34/48/170243448.db2.gz WDXNJDURSRAHEO-MRVPVSSYSA-N 0 0 208.261 2.076 10 0 BEAERN O=C1CCc2c1cccc2O[C@@H]1CCC[C@@H]1O ZINC000062800116 182754461 /nfs/dbraw/zinc/75/44/61/182754461.db2.gz QBWCCKWYBDHLLV-GXTWGEPZSA-N 0 0 232.279 2.108 10 0 BEAERN O=C1CCOC[C@@H]1Cc1ccccc1Cl ZINC000075152378 182744986 /nfs/dbraw/zinc/74/49/86/182744986.db2.gz ICXSAJZIJHROLZ-JTQLQIEISA-N 0 0 224.687 2.488 10 0 BEAERN O=C1CCn2c1cc1c2ccnc1Cl ZINC000088247324 182757181 /nfs/dbraw/zinc/75/71/81/182757181.db2.gz DYFWYTYZGHHWIA-UHFFFAOYSA-N 0 0 206.632 2.276 10 0 BEAERN O=C1N(c2ccccc2)C[C@@]1(F)Br ZINC000104841393 182789510 /nfs/dbraw/zinc/78/95/10/182789510.db2.gz QMPIGDCFDKPVQK-VIFPVBQESA-N 0 0 244.063 2.094 10 0 BEAERN O=C1C[C@@H](c2ccccc2Br)CN1 ZINC000083134682 182777938 /nfs/dbraw/zinc/77/79/38/182777938.db2.gz MBGRERPJWBLZCP-SSDOTTSWSA-N 0 0 240.100 2.053 10 0 BEAERN O=C1NCCCc2cc(Cl)sc21 ZINC000000192507 182802896 /nfs/dbraw/zinc/80/28/96/182802896.db2.gz RPMWYGMUJTWLJW-UHFFFAOYSA-N 0 0 201.678 2.078 10 0 BEAERN O=c1c2ccc[nH]c-2cn1C1CCCCC1 ZINC000089223323 182847326 /nfs/dbraw/zinc/84/73/26/182847326.db2.gz SRRPYHASQZSHGL-UHFFFAOYSA-N 0 0 216.284 2.370 10 0 BEAERN O=CC(=O)c1cc(Cl)ccc1Cl ZINC000083230429 182849528 /nfs/dbraw/zinc/84/95/28/182849528.db2.gz TTYGCHQREINYBT-UHFFFAOYSA-N 0 0 203.024 2.375 10 0 BEAERN O=C1Nc2ccccc2[C@@H](O)c2ccccc21 ZINC000028711516 182825747 /nfs/dbraw/zinc/82/57/47/182825747.db2.gz MVDLFUHQOPGQGH-ZDUSSCGKSA-N 0 0 225.247 2.334 10 0 BEAERN O=C1OCCc2cc(Br)ccc21 ZINC000071257295 182834296 /nfs/dbraw/zinc/83/42/96/182834296.db2.gz UPAPBCUWEGCRAG-UHFFFAOYSA-N 0 0 227.057 2.162 10 0 BEAERN O=Cc1ccc(Cn2ccc(C(F)(F)F)n2)o1 ZINC000002537860 182867542 /nfs/dbraw/zinc/86/75/42/182867542.db2.gz JXJBKQHKRDDJHP-UHFFFAOYSA-N 0 0 244.172 2.356 10 0 BEAERN O=Cc1ccnc(Br)c1OC1CC1 ZINC000095741579 182873148 /nfs/dbraw/zinc/87/31/48/182873148.db2.gz FTEUQXHTFRQEJX-UHFFFAOYSA-N 0 0 242.072 2.198 10 0 BEAERN O=Cc1cnc2c(Cl)cc(Cl)cn12 ZINC000036291654 182874093 /nfs/dbraw/zinc/87/40/93/182874093.db2.gz ZGXCPJCDWRJUFS-UHFFFAOYSA-N 0 0 215.039 2.454 10 0 BEAERN O=Cc1cnc(-c2cc(F)cc(F)c2)nc1 ZINC000035323354 182874414 /nfs/dbraw/zinc/87/44/14/182874414.db2.gz ZLQZIIZARGBMQI-UHFFFAOYSA-N 0 0 220.178 2.234 10 0 BEAERN O=Cc1cnc2sc3ccccc3n12 ZINC000082381763 182874648 /nfs/dbraw/zinc/87/46/48/182874648.db2.gz ZSQJGWCTLQDBEB-UHFFFAOYSA-N 0 0 202.238 2.362 10 0 BEAERN O=Cc1coc2c(Cl)cccc2c1=O ZINC000033495160 182875574 /nfs/dbraw/zinc/87/55/74/182875574.db2.gz QSKXZKLGRXOECB-UHFFFAOYSA-N 0 0 208.600 2.259 10 0 BEAERN O=c1ccc2c(ccnc2-c2ccco2)[nH]1 ZINC000013731328 183000720 /nfs/dbraw/zinc/00/07/20/183000720.db2.gz JTCFIMFXVOHMDX-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN O=c1cccc(-c2ccc3c(c2)OCO3)o1 ZINC000001848524 183002374 /nfs/dbraw/zinc/00/23/74/183002374.db2.gz FTGVBKACGWMZPN-UHFFFAOYSA-N 0 0 216.192 2.036 10 0 BEAERN O=c1ccnc(-c2cccc(Cl)c2)[nH]1 ZINC000034108559 183005047 /nfs/dbraw/zinc/00/50/47/183005047.db2.gz HLVWCXURJXWXMZ-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1[nH]c(-c2ccccc2)nc2c(O)cccc12 ZINC000000020441 183008619 /nfs/dbraw/zinc/00/86/19/183008619.db2.gz JRDFYUFZPYBDNH-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 in-vivo BEAERN OC1CC(Nc2nc3ccccc3s2)C1 ZINC000084443966 183027746 /nfs/dbraw/zinc/02/77/46/183027746.db2.gz VWFUAFPXBBDNGL-UHFFFAOYSA-N 0 0 220.297 2.232 10 0 BEAERN O[C@@H]1c2ccccc2CC12CCC(O)CC2 ZINC000001563094 183028455 /nfs/dbraw/zinc/02/84/55/183028455.db2.gz QBGBOWNMLLAMLX-HRDQMINSSA-N 0 0 218.296 2.197 10 0 BEAERN OC1CCC(Nc2cnnc3ccccc32)CC1 ZINC000097678370 183028691 /nfs/dbraw/zinc/02/86/91/183028691.db2.gz FHNWIILXOZDBAV-UHFFFAOYSA-N 0 0 243.310 2.345 10 0 BEAERN OC1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000104062809 183028708 /nfs/dbraw/zinc/02/87/08/183028708.db2.gz RCCWXNOJBMCJQZ-UHFFFAOYSA-N 0 0 245.282 2.150 10 0 BEAERN OCC1(Nc2nsnc2Cl)CCCCC1 ZINC000053128375 183040055 /nfs/dbraw/zinc/04/00/55/183040055.db2.gz UHDPRPRDIMCAIV-UHFFFAOYSA-N 0 0 247.751 2.299 10 0 BEAERN OCCCCCn1cnc2ccccc21 ZINC000051020200 183048351 /nfs/dbraw/zinc/04/83/51/183048351.db2.gz NQORKJYAZBCQCC-UHFFFAOYSA-N 0 0 204.273 2.199 10 0 BEAERN OCC1(Nc2ncccc2F)CCCCC1 ZINC000054700943 183039228 /nfs/dbraw/zinc/03/92/28/183039228.db2.gz LROROVUEMGIAJU-UHFFFAOYSA-N 0 0 224.279 2.328 10 0 BEAERN OCCCNc1ccc2ccccc2n1 ZINC000020552833 183059920 /nfs/dbraw/zinc/05/99/20/183059920.db2.gz WTPSVPGTKRIMQM-UHFFFAOYSA-N 0 0 202.257 2.029 10 0 BEAERN OCCCNc1ccc(C(F)(F)F)cc1 ZINC000041579749 183060727 /nfs/dbraw/zinc/06/07/27/183060727.db2.gz ISMCZYVJWYPULN-UHFFFAOYSA-N 0 0 219.206 2.500 10 0 BEAERN OCCCSC(F)(F)C(F)(F)F ZINC000095918279 183061344 /nfs/dbraw/zinc/06/13/44/183061344.db2.gz SBNPYZDJZRFECZ-UHFFFAOYSA-N 0 0 210.167 2.257 10 0 BEAERN OCCCOc1cc(F)ccc1Br ZINC000122691022 183062227 /nfs/dbraw/zinc/06/22/27/183062227.db2.gz IKGGDRONJUKVLZ-UHFFFAOYSA-N 0 0 249.079 2.349 10 0 BEAERN OCCCn1cnc2ccc(Cl)cc21 ZINC000040402286 183063780 /nfs/dbraw/zinc/06/37/80/183063780.db2.gz ACCRNWYWGSLXRB-UHFFFAOYSA-N 0 0 210.664 2.072 10 0 BEAERN OCCOCCSc1ccc(F)c(F)c1 ZINC000040229640 183086411 /nfs/dbraw/zinc/08/64/11/183086411.db2.gz MVSXXEIYXGNYED-UHFFFAOYSA-N 0 0 234.267 2.066 10 0 BEAERN OCC[C@@H]1CNc2c1cccc2Br ZINC000071486894 183095507 /nfs/dbraw/zinc/09/55/07/183095507.db2.gz LSKFKILVNQXINH-SSDOTTSWSA-N 0 0 242.116 2.341 10 0 BEAERN OC[C@@H]1CCCCN(c2nc3ccccc3o2)C1 ZINC000371065540 183115611 /nfs/dbraw/zinc/11/56/11/183115611.db2.gz RXGWBJSPOZFXHQ-LLVKDONJSA-N 0 0 246.310 2.427 10 0 BEAERN CCCC[C@H](O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392755 169013470 /nfs/dbraw/zinc/01/34/70/169013470.db2.gz OHRIKTXIUCVGOS-ZDUSSCGKSA-N 0 0 248.326 2.101 10 0 BEAERN CCCC[S@](=O)c1nc2cc(N)ccc2o1 ZINC000042196532 169017296 /nfs/dbraw/zinc/01/72/96/169017296.db2.gz BRARRKIHMOGXPV-MRXNPFEDSA-N 0 0 238.312 2.318 10 0 BEAERN CCCCc1ccc(-n2cc(CO)nn2)cc1 ZINC000052220952 169019864 /nfs/dbraw/zinc/01/98/64/169019864.db2.gz FNWSHACQQKOQSK-UHFFFAOYSA-N 0 0 231.299 2.102 10 0 BEAERN OC[C@]12C[C@H]3C[C@H](C[C@@H](C1)C3(F)F)C2 ZINC000100058065 183136177 /nfs/dbraw/zinc/13/61/77/183136177.db2.gz FUGCZPLJOOCMNN-MSLAYNRJSA-N 0 0 202.244 2.440 10 0 BEAERN CCCCc1ccc([C@@H]([NH2+]C)C(=O)[O-])cc1 ZINC000098124656 169022251 /nfs/dbraw/zinc/02/22/51/169022251.db2.gz AIVSQBXBCRMFAB-GFCCVEGCSA-N 0 0 221.300 2.374 10 0 BEAERN CCCCc1nc2ccccc2n1CCO ZINC000007466882 169028033 /nfs/dbraw/zinc/02/80/33/169028033.db2.gz XGZOAQVXNUBENX-UHFFFAOYSA-N 0 0 218.300 2.371 10 0 BEAERN OC[C@@H]1CNc2c(Br)cccc2C1 ZINC000011633123 183127934 /nfs/dbraw/zinc/12/79/34/183127934.db2.gz MMIJIHSQFPUUCW-ZETCQYMHSA-N 0 0 242.116 2.026 10 0 BEAERN OC[C@H]1CCCC[C@@H]1Nc1ncncc1Cl ZINC000221246440 183148415 /nfs/dbraw/zinc/14/84/15/183148415.db2.gz XPDQJZRVKKKVEX-SCZZXKLOSA-N 0 0 241.722 2.093 10 0 BEAERN OC[C@H]1CNc2c(Br)cccc2C1 ZINC000011633124 183155975 /nfs/dbraw/zinc/15/59/75/183155975.db2.gz MMIJIHSQFPUUCW-SSDOTTSWSA-N 0 0 242.116 2.026 10 0 BEAERN OCc1c(Br)ccc(O)c1Cl ZINC000113484388 183159908 /nfs/dbraw/zinc/15/99/08/183159908.db2.gz PLUPZQOUZUDMMM-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN OCc1cc2ccc(Br)cc2cn1 ZINC000118357452 183162066 /nfs/dbraw/zinc/16/20/66/183162066.db2.gz HUUUWNGVOTYHFB-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1ccc(N(CC(F)(F)F)C2CC2)nc1 ZINC000042779261 183164274 /nfs/dbraw/zinc/16/42/74/183164274.db2.gz SNYJCSKIVXOGIM-UHFFFAOYSA-N 0 0 246.232 2.105 10 0 BEAERN OC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000034497201 183145157 /nfs/dbraw/zinc/14/51/57/183145157.db2.gz JIZNWTMJWUOLIZ-AWEZNQCLSA-N 0 0 214.264 2.379 10 0 BEAERN CCCN(C(=O)[C@H]1CCCO1)c1cccc(N)c1 ZINC000063108638 169046349 /nfs/dbraw/zinc/04/63/49/169046349.db2.gz SQIQELOFILLFDJ-CYBMUJFWSA-N 0 0 248.326 2.191 10 0 BEAERN CCCN(C(=O)c1ccon1)c1cccc(N)c1 ZINC000063108941 169048253 /nfs/dbraw/zinc/04/82/53/169048253.db2.gz CFANFVVVLSGSQG-UHFFFAOYSA-N 0 0 245.282 2.314 10 0 BEAERN O[C@@H](Cc1ccncc1)Cc1ccccc1F ZINC000053134272 183182949 /nfs/dbraw/zinc/18/29/49/183182949.db2.gz PGKBCMYOHLXYJR-ZDUSSCGKSA-N 0 0 231.270 2.367 10 0 BEAERN O[C@@H](Cc1ccccc1)Cn1cc[nH]c1=S ZINC000026495772 183183886 /nfs/dbraw/zinc/18/38/86/183183886.db2.gz VKZBVGIWEVXVDB-NSHDSACASA-N 0 0 234.324 2.149 10 0 BEAERN OCc1ccc(OCc2ccncc2)cc1 ZINC000020031145 183165905 /nfs/dbraw/zinc/16/59/05/183165905.db2.gz FHKLLNPRPKUEJH-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN OCc1ccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)cc1 ZINC000072236183 183166700 /nfs/dbraw/zinc/16/67/00/183166700.db2.gz VVVIJNBBLQDQAF-SDSIWUNFSA-N 0 0 241.334 2.437 10 0 BEAERN OCc1cnc(-c2ccc3ncccc3c2)nc1 ZINC000062802648 183169543 /nfs/dbraw/zinc/16/95/43/183169543.db2.gz KHHORAMQKKPPOS-UHFFFAOYSA-N 0 0 237.262 2.184 10 0 BEAERN OCc1nc(C2CC2)sc1Br ZINC000095930197 183170217 /nfs/dbraw/zinc/17/02/17/183170217.db2.gz OVCYSIDJQRLXNJ-UHFFFAOYSA-N 0 0 234.118 2.275 10 0 BEAERN OCc1csc(Cc2cccc(F)c2)n1 ZINC000057904432 183170237 /nfs/dbraw/zinc/17/02/37/183170237.db2.gz UMSFBZUAMBLLQR-UHFFFAOYSA-N 0 0 223.272 2.365 10 0 BEAERN OCc1coc(/C=C\c2ccc(F)cc2)n1 ZINC000090728338 183170263 /nfs/dbraw/zinc/17/02/63/183170263.db2.gz GWNLFMQOXBPEEZ-UTCJRWHESA-N 0 0 219.215 2.476 10 0 BEAERN OCc1cncnc1Oc1ccc(Cl)cc1 ZINC000020386341 183170627 /nfs/dbraw/zinc/17/06/27/183170627.db2.gz ORYVFLYNRPFKOU-UHFFFAOYSA-N 0 0 236.658 2.415 10 0 BEAERN OCc1nc2ccccc2n1Cc1ccco1 ZINC000040390272 183170636 /nfs/dbraw/zinc/17/06/36/183170636.db2.gz ORQURSSGBJVEKF-UHFFFAOYSA-N 0 0 228.251 2.170 10 0 BEAERN OCc1cnoc1-c1ccc(Cl)cc1 ZINC000085346101 183170967 /nfs/dbraw/zinc/17/09/67/183170967.db2.gz YPXMBRZTXHGVPS-UHFFFAOYSA-N 0 0 209.632 2.487 10 0 BEAERN CCOP(=O)(CC(=O)OC(C)C)OCC ZINC000096395018 170470098 /nfs/dbraw/zinc/47/00/98/170470098.db2.gz SWGMKWQNFIOGDY-UHFFFAOYSA-N 0 0 238.220 2.204 10 0 BEAERN O[C@@H](CN1CCC[C@H]1c1ccco1)C(F)(F)F ZINC000121339193 183175810 /nfs/dbraw/zinc/17/58/10/183175810.db2.gz MYABMIOBLYXTDW-WPRPVWTQSA-N 0 0 249.232 2.340 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1ccc(F)c(F)c1 ZINC000037689860 183196942 /nfs/dbraw/zinc/19/69/42/183196942.db2.gz DPAGDFMMLNAVOS-GHMZBOCLSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CC[C@H](Nc2nc3ccccc3[nH]2)CC1 ZINC000100279904 183203364 /nfs/dbraw/zinc/20/33/64/183203364.db2.gz KTHZUSQLHWUIPV-AOOOYVTPSA-N 0 0 231.299 2.278 10 0 BEAERN O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC000062800767 183206157 /nfs/dbraw/zinc/20/61/57/183206157.db2.gz XHTOWGIAEQBHBP-GFCCVEGCSA-N 0 0 204.269 2.455 10 0 BEAERN O[C@@H](c1ccc2c(c1)OCO2)C(F)(F)F ZINC000084192244 183185401 /nfs/dbraw/zinc/18/54/01/183185401.db2.gz XSZZPMBWFISURW-QMMMGPOBSA-N 0 0 220.146 2.011 10 0 BEAERN O[C@@H](c1ccc2c(c1)OCCO2)C1CCC1 ZINC000036160150 183185598 /nfs/dbraw/zinc/18/55/98/183185598.db2.gz ZXRUHRHOHMKDGR-CYBMUJFWSA-N 0 0 220.268 2.291 10 0 BEAERN O[C@@H](c1ccc2c(c1)OCO2)C1CCC1 ZINC000036157876 183185678 /nfs/dbraw/zinc/18/56/78/183185678.db2.gz VURULXZCDFSPSB-GFCCVEGCSA-N 0 0 206.241 2.249 10 0 BEAERN CCCN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC000107134468 169061496 /nfs/dbraw/zinc/06/14/96/169061496.db2.gz CTNKGCOYSMSZQV-UHFFFAOYSA-N 0 0 245.282 2.219 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1cccc(F)n1 ZINC000077208475 183188295 /nfs/dbraw/zinc/18/82/95/183188295.db2.gz QTWLNSRKRVJKDI-NXEZZACHSA-N 0 0 224.279 2.184 10 0 BEAERN CCCN(C)C(=O)c1ccc(NC)s1 ZINC000261528660 169061936 /nfs/dbraw/zinc/06/19/36/169061936.db2.gz SBRMAQBTVAYPGD-UHFFFAOYSA-N 0 0 212.318 2.272 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1nccc2occc21 ZINC000230918873 183195221 /nfs/dbraw/zinc/19/52/21/183195221.db2.gz VNWMHNDJVFEESN-MWLCHTKSSA-N 0 0 232.283 2.401 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cc1F ZINC000267529992 183195377 /nfs/dbraw/zinc/19/53/77/183195377.db2.gz ZCMMWENNMOVEFI-DTWKUNHWSA-N 0 0 230.670 2.199 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1 ZINC000037689861 183195425 /nfs/dbraw/zinc/19/54/25/183195425.db2.gz DPAGDFMMLNAVOS-WDEREUQCSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCC[C@@H]1Oc1cccc2c1NCCC2 ZINC000038056360 183195599 /nfs/dbraw/zinc/19/55/99/183195599.db2.gz JNECUULLKKOENU-NEPJUHHUSA-N 0 0 233.311 2.337 10 0 BEAERN O[C@@]1(c2cncc(F)c2)CCc2ccccc21 ZINC000049576942 183218507 /nfs/dbraw/zinc/21/85/07/183218507.db2.gz JXZNZVRBVQWBDF-CQSZACIVSA-N 0 0 229.254 2.403 10 0 BEAERN O[C@H](CNc1cccc(F)n1)C1CCCC1 ZINC000301268909 183226670 /nfs/dbraw/zinc/22/66/70/183226670.db2.gz GGUQTTBWANNDOD-SNVBAGLBSA-N 0 0 224.279 2.184 10 0 BEAERN O[C@H](Cc1ccc(F)cc1)c1ccncc1 ZINC000037464834 183227037 /nfs/dbraw/zinc/22/70/37/183227037.db2.gz YQDQZHAWURWBSW-CYBMUJFWSA-N 0 0 217.243 2.497 10 0 BEAERN O[C@H](Cc1ccccc1F)c1cccnc1 ZINC000037464774 183227475 /nfs/dbraw/zinc/22/74/75/183227475.db2.gz BYDKJCUHBNUNMH-CYBMUJFWSA-N 0 0 217.243 2.497 10 0 BEAERN CCCN(C)c1ccc(N)c(C(=O)OCC)c1 ZINC000041082793 169088974 /nfs/dbraw/zinc/08/89/74/169088974.db2.gz BGRBBQPIUNXNHP-UHFFFAOYSA-N 0 0 236.315 2.292 10 0 BEAERN O[C@@H]1COC[C@@H]1Nc1cccc(Cl)c1Cl ZINC000037883736 183210376 /nfs/dbraw/zinc/21/03/76/183210376.db2.gz PIWKWTLLXQKNON-DTWKUNHWSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@@H]1COC[C@@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000037877098 183210437 /nfs/dbraw/zinc/21/04/37/183210437.db2.gz QVOBYPPVVMZANB-VHSXEESVSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@@H]1C[C@@H](c2ccco2)N(c2ccccc2)O1 ZINC000255983454 183211923 /nfs/dbraw/zinc/21/19/23/183211923.db2.gz KMEPCTWIFAEPJI-AAEUAGOBSA-N 0 0 231.251 2.481 10 0 BEAERN O[C@@H]1C[C@@H]2[C@H](COCc3ccccc3)CC[C@@H]2O1 ZINC000256007198 183212276 /nfs/dbraw/zinc/21/22/76/183212276.db2.gz VORDIZYMYPGCNR-XGUBFFRZSA-N 0 0 248.322 2.337 10 0 BEAERN O[C@@H]1COC[C@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000037877097 183212378 /nfs/dbraw/zinc/21/23/78/183212378.db2.gz QVOBYPPVVMZANB-NXEZZACHSA-N 0 0 248.109 2.165 10 0 BEAERN CCCN(CC(=O)OC)c1ncccc1Cl ZINC000050086555 169101153 /nfs/dbraw/zinc/10/11/53/169101153.db2.gz FSDFVRCWVPABHA-UHFFFAOYSA-N 0 0 242.706 2.124 10 0 BEAERN CCCN(CC)C(=O)c1ccc2c[nH]nc2c1 ZINC000061670256 169119179 /nfs/dbraw/zinc/11/91/79/169119179.db2.gz NNVNNFOIOIODQA-UHFFFAOYSA-N 0 0 231.299 2.435 10 0 BEAERN O[C@H]1CCCCc2cc3c(cc21)OCCO3 ZINC000019727052 183233803 /nfs/dbraw/zinc/23/38/03/183233803.db2.gz LGKYBISADCUZFB-NSHDSACASA-N 0 0 220.268 2.218 10 0 BEAERN O[C@H]1CCCc2c1ccn2[C@H]1CCCC[C@@H]1O ZINC000052009114 183237610 /nfs/dbraw/zinc/23/76/10/183237610.db2.gz BJWOTEYXWKVAOM-IHRRRGAJSA-N 0 0 235.327 2.334 10 0 BEAERN Oc1ccc(-c2[nH]nc3ncccc32)cc1 ZINC000034490179 183264864 /nfs/dbraw/zinc/26/48/64/183264864.db2.gz MRGXYEFVWJJWKI-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN CCC[NH+](CCC)Cc1ncccc1C(=O)[O-] ZINC000062182896 169150725 /nfs/dbraw/zinc/15/07/25/169150725.db2.gz DWOCJMITXYRONW-UHFFFAOYSA-N 0 0 236.315 2.402 10 0 BEAERN CCCN(CCC)c1ccc(CO)cc1N ZINC000058825319 169152397 /nfs/dbraw/zinc/15/23/97/169152397.db2.gz WGCAEOSLHLORJU-UHFFFAOYSA-N 0 0 222.332 2.388 10 0 BEAERN CCCN(CCC)c1cc(C(=O)NC)ccc1N ZINC000103963450 169152643 /nfs/dbraw/zinc/15/26/43/169152643.db2.gz KOORXKAESWZKBN-UHFFFAOYSA-N 0 0 249.358 2.255 10 0 BEAERN Oc1ccc(OCc2nc(C3CC3)no2)cc1 ZINC000049344735 183277486 /nfs/dbraw/zinc/27/74/86/183277486.db2.gz MIJUZKCDFSTWML-UHFFFAOYSA-N 0 0 232.239 2.232 10 0 BEAERN Oc1cc(Br)cc2c1CCN2 ZINC000014986302 183256622 /nfs/dbraw/zinc/25/66/22/183256622.db2.gz ZHDPRPOEJUUMDH-UHFFFAOYSA-N 0 0 214.062 2.123 10 0 BEAERN Oc1cc2c(cc1Br)CCO2 ZINC000082370642 183260615 /nfs/dbraw/zinc/26/06/15/183260615.db2.gz NQYVSXRSJLREPM-UHFFFAOYSA-N 0 0 215.046 2.090 10 0 BEAERN CCC[NH+](CCC)CC(C)(C)C(=O)[O-] ZINC000011956424 169147892 /nfs/dbraw/zinc/14/78/92/169147892.db2.gz MFDBJSTWPGRXGY-UHFFFAOYSA-N 0 0 201.310 2.219 10 0 BEAERN O=C1CSC(=C(F)C(F)(F)F)N1 ZINC000006526110 183305863 /nfs/dbraw/zinc/30/58/63/183305863.db2.gz OEWVJYHHPDJTPH-GSVOUGTGSA-N 0 0 201.144 2.422 10 0 BEAERN Oc1ccc2cc(C3=NCCO3)ccc2c1 ZINC000238709596 183285046 /nfs/dbraw/zinc/28/50/46/183285046.db2.gz XPZMJIBZSOLTST-UHFFFAOYSA-N 0 0 213.236 2.322 10 0 BEAERN Oc1cccc(NCc2cscn2)c1 ZINC000040504099 183293392 /nfs/dbraw/zinc/29/33/92/183293392.db2.gz YOJQECFJAZMQMT-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN Oc1cccc([C@H]2CN(CCCF)CCO2)c1 ZINC000126282396 183293664 /nfs/dbraw/zinc/29/36/64/183293664.db2.gz NXZKVOWKYDGYCL-CYBMUJFWSA-N 0 0 239.290 2.125 10 0 BEAERN CCCN(CCc1ccccn1)C(=O)C1CC1 ZINC000122633630 169170316 /nfs/dbraw/zinc/17/03/16/169170316.db2.gz ROSFJSBDGCDVRK-UHFFFAOYSA-N 0 0 232.327 2.273 10 0 BEAERN CCCN(Cc1ncccc1C(=O)OC)C1CC1 ZINC000302309941 169180496 /nfs/dbraw/zinc/18/04/96/169180496.db2.gz IGLFKBKKOYRZJN-UHFFFAOYSA-N 0 0 248.326 2.243 10 0 BEAERN Cc1cccc(I)c1 ZINC000060290254 183317205 /nfs/dbraw/zinc/31/72/05/183317205.db2.gz BVWKACAGXVACMH-UHFFFAOYSA-N 0 0 217.029 2.473 10 0 BEAERN O=c1[nH]ncc(OC2CCCC2)c1Cl ZINC000091366063 183310169 /nfs/dbraw/zinc/31/01/69/183310169.db2.gz ICBOUXNPXYWMCJ-UHFFFAOYSA-N 0 0 214.652 2.157 10 0 BEAERN CCCN1CCO[C@H](c2ccccc2OC)C1 ZINC000013726356 169204235 /nfs/dbraw/zinc/20/42/35/169204235.db2.gz OPOXPSMABYNZSE-AWEZNQCLSA-N 0 0 235.327 2.479 10 0 BEAERN S=C(NCc1cccnc1)N1CCCCCC1 ZINC000035279982 183311460 /nfs/dbraw/zinc/31/14/60/183311460.db2.gz DPXVMWCQEJMHLF-UHFFFAOYSA-N 0 0 249.383 2.332 10 0 BEAERN CC(C)(C)NC(=O)c1sccc1C=O ZINC000075620803 166630708 /nfs/dbraw/zinc/63/07/08/166630708.db2.gz OTDSLHXPGONJPL-UHFFFAOYSA-N 0 0 211.286 2.089 10 0 BEAERN CCCN1NC(=O)C[C@@H]1c1ccc(F)cc1 ZINC000005834236 169210958 /nfs/dbraw/zinc/21/09/58/169210958.db2.gz AEKOTLJUXIMRNN-LLVKDONJSA-N 0 0 222.263 2.014 10 0 BEAERN c1cn(CCOc2cccc3c2NCCC3)cn1 ZINC000038056328 183364793 /nfs/dbraw/zinc/36/47/93/183364793.db2.gz RRDCOIQQNVPVPE-UHFFFAOYSA-N 0 0 243.310 2.320 10 0 BEAERN c1cc2c(c(OC[C@H]3CCOC3)c1)NCCC2 ZINC000049690099 183364975 /nfs/dbraw/zinc/36/49/75/183364975.db2.gz KRKRNISRLHGHEX-NSHDSACASA-N 0 0 233.311 2.460 10 0 BEAERN c1cc2c(c(OCc3cnccn3)c1)NCCC2 ZINC000038056265 183365014 /nfs/dbraw/zinc/36/50/14/183365014.db2.gz VGEBGGOZLVWNPD-UHFFFAOYSA-N 0 0 241.294 2.414 10 0 BEAERN c1nc(COc2cccc3c2NCCC3)no1 ZINC000038056331 183365561 /nfs/dbraw/zinc/36/55/61/183365561.db2.gz QNCBEVQUTKSOPF-UHFFFAOYSA-N 0 0 231.255 2.007 10 0 BEAERN c1cc(NCC2CCOCC2)cc2c1OCO2 ZINC000052171953 183369527 /nfs/dbraw/zinc/36/95/27/183369527.db2.gz LOAHIDWANSVMMY-UHFFFAOYSA-N 0 0 235.283 2.254 10 0 BEAERN CCCNC(=O)N(CCOC)C(CC)CC ZINC000097473506 169234538 /nfs/dbraw/zinc/23/45/38/169234538.db2.gz SZSATPBDNIAVJR-UHFFFAOYSA-N 0 0 230.352 2.243 10 0 BEAERN CCCNC(=O)NCC[C@@H]1CNc2ccccc21 ZINC000020256994 169236968 /nfs/dbraw/zinc/23/69/68/169236968.db2.gz OGWMZTFYKJERSX-LLVKDONJSA-N 0 0 247.342 2.295 10 0 BEAERN CCCNC(=O)N[C@H](C)c1ccc(N)cc1 ZINC000037178816 169239610 /nfs/dbraw/zinc/23/96/10/169239610.db2.gz HUFBUKDPIHBGRE-SECBINFHSA-N 0 0 221.304 2.039 10 0 BEAERN CCCNC(=O)[C@@H](C)n1c(C)ccc1C ZINC000049224434 169243504 /nfs/dbraw/zinc/24/35/04/169243504.db2.gz UVNIKHGWECNGNM-LLVKDONJSA-N 0 0 208.305 2.192 10 0 BEAERN CCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117566845 169244569 /nfs/dbraw/zinc/24/45/69/169244569.db2.gz JCERQWGPZCQABM-JOYOIKCWSA-N 0 0 219.284 2.077 10 0 BEAERN c1c(-c2ccccn2)nc2n1CCS2 ZINC000096191333 183380746 /nfs/dbraw/zinc/38/07/46/183380746.db2.gz VJDYIBMNQSFEEL-UHFFFAOYSA-N 0 0 203.270 2.051 10 0 BEAERN CCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117566841 169244810 /nfs/dbraw/zinc/24/48/10/169244810.db2.gz JCERQWGPZCQABM-BXKDBHETSA-N 0 0 219.284 2.077 10 0 BEAERN CCCNC(=O)[C@H](C)Nc1cccc(F)c1 ZINC000020313310 169247514 /nfs/dbraw/zinc/24/75/14/169247514.db2.gz VNBPBWKANPWPNU-VIFPVBQESA-N 0 0 224.279 2.152 10 0 BEAERN c1cn(-c2nnc(-c3ccccc3)s2)cn1 ZINC000090067622 183383836 /nfs/dbraw/zinc/38/38/36/183383836.db2.gz ABUNCDATOAPMHU-UHFFFAOYSA-N 0 0 228.280 2.391 10 0 BEAERN CCC[NH2+][C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000062712951 169284184 /nfs/dbraw/zinc/28/41/84/169284184.db2.gz ZHROTBUMCQULFR-JTQLQIEISA-N 0 0 247.216 2.229 10 0 BEAERN c1nn(-c2ccccc2)cc1CNc1cn[nH]c1 ZINC000035764004 183386866 /nfs/dbraw/zinc/38/68/66/183386866.db2.gz DITSBPAXIPXXES-UHFFFAOYSA-N 0 0 239.282 2.208 10 0 BEAERN CCC[NH2+][C@H](CC(=O)[O-])Cc1ccccc1 ZINC000074469051 169288171 /nfs/dbraw/zinc/28/81/71/169288171.db2.gz SPUBROUUVUCQQH-LBPRGKRZSA-N 0 0 221.300 2.072 10 0 BEAERN CCCN[C@@](C)(C(=O)OC)c1cccc(F)c1 ZINC000037513303 169283860 /nfs/dbraw/zinc/28/38/60/169283860.db2.gz HVMSUXMQONPPGL-CYBMUJFWSA-N 0 0 239.290 2.214 10 0 BEAERN CCCOC(=O)c1ccc(N[C@@H]2CCOC2)cc1 ZINC000104072059 169300658 /nfs/dbraw/zinc/30/06/58/169300658.db2.gz QSDUGSXYEVNULQ-CYBMUJFWSA-N 0 0 249.310 2.454 10 0 BEAERN CCCOCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116040271 169303151 /nfs/dbraw/zinc/30/31/51/169303151.db2.gz SQBNUESZQBGJDQ-NSHDSACASA-N 0 0 237.299 2.370 10 0 BEAERN CCCOCC(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000371177110 169304174 /nfs/dbraw/zinc/30/41/74/169304174.db2.gz RKZIOSPZZTVLOE-VXGBXAGGSA-N 0 0 225.332 2.204 10 0 BEAERN CCCOCC(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000371177109 169304463 /nfs/dbraw/zinc/30/44/63/169304463.db2.gz RKZIOSPZZTVLOE-RYUDHWBXSA-N 0 0 225.332 2.204 10 0 BEAERN CCCOCC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110442060 169305745 /nfs/dbraw/zinc/30/57/45/169305745.db2.gz YBRKJGLMJVBVBD-KGLIPLIRSA-N 0 0 247.338 2.333 10 0 BEAERN CCCOCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000068522620 169306574 /nfs/dbraw/zinc/30/65/74/169306574.db2.gz ZBRHNKRNTHPTDQ-SNVBAGLBSA-N 0 0 225.288 2.192 10 0 BEAERN CCCOCCC(=O)Nc1ccc(N)c(C)c1 ZINC000054434082 169308782 /nfs/dbraw/zinc/30/87/82/169308782.db2.gz LVTJWNULZSWKLZ-UHFFFAOYSA-N 0 0 236.315 2.332 10 0 BEAERN CCCOCc1nc(N)ccc1Cl ZINC000061640451 169311052 /nfs/dbraw/zinc/31/10/52/169311052.db2.gz HXQWZERDURCTRD-UHFFFAOYSA-N 0 0 200.669 2.244 10 0 BEAERN CCCOc1cc(C=O)cc(OC)c1OC ZINC000037628143 169314843 /nfs/dbraw/zinc/31/48/43/169314843.db2.gz OPKXJKATKJFAIN-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCCOc1ccc(-c2cc(CO)[nH]n2)cc1 ZINC000066111397 169316509 /nfs/dbraw/zinc/31/65/09/169316509.db2.gz HRALOCGDSIECRO-UHFFFAOYSA-N 0 0 232.283 2.358 10 0 BEAERN CCCN[C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000037459134 169292425 /nfs/dbraw/zinc/29/24/25/169292425.db2.gz SOBOPYWZHRSMFA-ZDUSSCGKSA-N 0 0 239.290 2.214 10 0 BEAERN CCCN[C@]1(C(=O)OC)CCCc2ccccc21 ZINC000037513342 169293380 /nfs/dbraw/zinc/29/33/80/169293380.db2.gz FBEULDYCCPRSOZ-OAHLLOKOSA-N 0 0 247.338 2.391 10 0 BEAERN CCCNc1cc(C(=O)N(C)C)cc(Cl)n1 ZINC000050723919 169293626 /nfs/dbraw/zinc/29/36/26/169293626.db2.gz NQMFHTJQEZGAMS-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN CCCNc1cc2c(cc1Cl)NC(=O)CO2 ZINC000036993332 169294243 /nfs/dbraw/zinc/29/42/43/169294243.db2.gz MCQZHGDZECRRBJ-UHFFFAOYSA-N 0 0 240.690 2.493 10 0 BEAERN CCCNc1cc2c(nn1)CCSC2 ZINC000054931277 169294361 /nfs/dbraw/zinc/29/43/61/169294361.db2.gz NGTCLWGEDAWHBY-UHFFFAOYSA-N 0 0 209.318 2.088 10 0 BEAERN CCCNc1ccc2c(c1O)CCC(=O)N2 ZINC000039098286 169294824 /nfs/dbraw/zinc/29/48/24/169294824.db2.gz LMQGRRZVXWPRCG-UHFFFAOYSA-N 0 0 220.272 2.099 10 0 BEAERN CCCNc1ccnc(C(=O)NC2CCC2)c1 ZINC000052215378 169295592 /nfs/dbraw/zinc/29/55/92/169295592.db2.gz UYINALFKUPELSE-UHFFFAOYSA-N 0 0 233.315 2.186 10 0 BEAERN CCCNc1ncnc2c1cnn2C(C)C ZINC000062367299 169296463 /nfs/dbraw/zinc/29/64/63/169296463.db2.gz OSUPXOOFZHABTO-UHFFFAOYSA-N 0 0 219.292 2.229 10 0 BEAERN CCCNc1ncccc1Cn1ccccc1=O ZINC000052732206 169296581 /nfs/dbraw/zinc/29/65/81/169296581.db2.gz LZEPBIKANYRTKX-UHFFFAOYSA-N 0 0 243.310 2.114 10 0 BEAERN CCCNc1ncccc1Cn1cc(C)cn1 ZINC000052733516 169296587 /nfs/dbraw/zinc/29/65/87/169296587.db2.gz XNWCXQUCVWRGLZ-UHFFFAOYSA-N 0 0 230.315 2.457 10 0 BEAERN CCCNc1ncccc1CN1CCCC1=O ZINC000052732125 169297243 /nfs/dbraw/zinc/29/72/43/169297243.db2.gz XXIXGIPJHZGANJ-UHFFFAOYSA-N 0 0 233.315 2.026 10 0 BEAERN CCCOc1ccc(NC[C@@H](C)C(N)=O)cc1 ZINC000051785895 169319957 /nfs/dbraw/zinc/31/99/57/169319957.db2.gz VLWDPEHBYHPTSC-SNVBAGLBSA-N 0 0 236.315 2.009 10 0 BEAERN CCCOc1ccccc1C[NH2+][C@H](C)C(=O)[O-] ZINC000041689476 169326839 /nfs/dbraw/zinc/32/68/39/169326839.db2.gz ZNGQAHFMKOBPSG-SNVBAGLBSA-N 0 0 237.299 2.038 10 0 BEAERN CCCS(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000015836379 169331180 /nfs/dbraw/zinc/33/11/80/169331180.db2.gz RRXKZFDFJWZPRZ-JTQLQIEISA-N 0 0 243.328 2.156 10 0 BEAERN CCC[C@@H](C)N(C)c1ccc(N)c2nonc21 ZINC000036790140 169366148 /nfs/dbraw/zinc/36/61/48/169366148.db2.gz GWCYKMNGOSPTTR-MRVPVSSYSA-N 0 0 234.303 2.430 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cc(C)ccc1N ZINC000050201517 169368247 /nfs/dbraw/zinc/36/82/47/169368247.db2.gz BMGHHRDYGCMMML-SNVBAGLBSA-N 0 0 220.316 2.496 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cc(F)ccc1N ZINC000036882828 169368284 /nfs/dbraw/zinc/36/82/84/169368284.db2.gz PLMDKDGVTKAHCY-MRVPVSSYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC[C@@H](C)NC(=O)c1c(C)cccc1N ZINC000019278000 169368870 /nfs/dbraw/zinc/36/88/70/169368870.db2.gz WUJLUCVIKSZHRD-SNVBAGLBSA-N 0 0 220.316 2.496 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050694211 169369190 /nfs/dbraw/zinc/36/91/90/169369190.db2.gz DSHQLESELMSDOW-SSDOTTSWSA-N 0 0 241.722 2.236 10 0 BEAERN c1nc(-c2nc3cccnc3[nH]2)cs1 ZINC000013679495 183486726 /nfs/dbraw/zinc/48/67/26/183486726.db2.gz HEMPVAHMZGKQSE-UHFFFAOYSA-N 0 0 202.242 2.081 10 0 BEAERN CCC[C@@H](C)C(=O)N(C)C[C@@H]1CCCO1 ZINC000122808574 169347136 /nfs/dbraw/zinc/34/71/36/169347136.db2.gz KIWUVTIIXZVGIZ-MNOVXSKESA-N 0 0 213.321 2.060 10 0 BEAERN CCC[C@@H](C)CC(=O)NCCn1cc(C)cn1 ZINC000117808872 169355733 /nfs/dbraw/zinc/35/57/33/169355733.db2.gz ZYLRRPJMSQJGRA-LLVKDONJSA-N 0 0 237.347 2.134 10 0 BEAERN CCC[C@@H](C)N(C)C(=O)c1ccnc(NC)c1 ZINC000050756082 169363721 /nfs/dbraw/zinc/36/37/21/169363721.db2.gz ODWRUWIHOOZGNF-SNVBAGLBSA-N 0 0 235.331 2.384 10 0 BEAERN CCC[C@@H](C)Nc1cc(C(=O)NC)ccc1N ZINC000103965213 169371193 /nfs/dbraw/zinc/37/11/93/169371193.db2.gz OQQSGAAGBGJQSZ-SECBINFHSA-N 0 0 235.331 2.229 10 0 BEAERN CCC[C@@H](C)Nc1ccnc(C(=O)NCC)c1 ZINC000035673972 169372055 /nfs/dbraw/zinc/37/20/55/169372055.db2.gz NFBAEVPHJJSPLK-SNVBAGLBSA-N 0 0 235.331 2.432 10 0 BEAERN CCC[C@@H](C)NC1N=NC(=S)S1 ZINC000020581504 169372678 /nfs/dbraw/zinc/37/26/78/169372678.db2.gz CUHFZSLYLGYZMQ-RXMQYKEDSA-N 0 0 203.336 2.427 10 0 BEAERN CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000039093997 169396874 /nfs/dbraw/zinc/39/68/74/169396874.db2.gz YPDFDUAAFOWUDT-RKDXNWHRSA-N 0 0 217.309 2.061 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC2=O)C1 ZINC000095836169 166654871 /nfs/dbraw/zinc/65/48/71/166654871.db2.gz RFTZRNVUQKCZIO-UWVGGRQHSA-N 0 0 239.315 2.223 10 0 BEAERN CCC[C@H]1CCC[C@@](C[NH3+])(CC(=O)[O-])C1 ZINC000013779551 169527012 /nfs/dbraw/zinc/52/70/12/169527012.db2.gz LIWALZBTMOXHRD-JQWIXIFHSA-N 0 0 213.321 2.397 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)nn1 ZINC000233394240 169533791 /nfs/dbraw/zinc/53/37/91/169533791.db2.gz ILQNOEQWMXWHRS-CBAPKCEASA-N 0 0 239.706 2.048 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(C)nc2ncnn21 ZINC000231663435 169538781 /nfs/dbraw/zinc/53/87/81/169538781.db2.gz MPRVVEILDIVAOO-VHSXEESVSA-N 0 0 231.303 2.033 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cncc(OCC)n1 ZINC000301701730 169539285 /nfs/dbraw/zinc/53/92/85/169539285.db2.gz QHCYYMKRJRLGTM-VHSXEESVSA-N 0 0 221.304 2.476 10 0 BEAERN CCCc1c(N)n[nH]c1-c1ccncc1 ZINC000026511690 169560676 /nfs/dbraw/zinc/56/06/76/169560676.db2.gz UVNXYPBHSMMVEL-UHFFFAOYSA-N 0 0 202.261 2.006 10 0 BEAERN CCCc1cc(=O)[nH]c(-c2ccc(OC)cc2)n1 ZINC000037409015 169561809 /nfs/dbraw/zinc/56/18/09/169561809.db2.gz WYHIPCOMLWTJAG-UHFFFAOYSA-N 0 0 244.294 2.398 10 0 BEAERN CCCc1nc(-c2ccccc2NC)n[nH]1 ZINC000041058665 169581849 /nfs/dbraw/zinc/58/18/49/169581849.db2.gz KMZBYHDXVQIYCT-UHFFFAOYSA-N 0 0 216.288 2.466 10 0 BEAERN CCCc1cnc(NC(=O)[C@@H](C)COC)s1 ZINC000180260890 169580021 /nfs/dbraw/zinc/58/00/21/169580021.db2.gz UIKMUMBNCNOVIG-QMMMGPOBSA-N 0 0 242.344 2.317 10 0 BEAERN CC(C)(C)OCCS[C@H]1CCCCNC1=O ZINC000108414225 166681139 /nfs/dbraw/zinc/68/11/39/166681139.db2.gz HYHGLEQOXAOYNU-JTQLQIEISA-N 0 0 245.388 2.203 10 0 BEAERN CCCc1nc(C)c(C(=O)OC)c(=S)[nH]1 ZINC000019481261 169586915 /nfs/dbraw/zinc/58/69/15/169586915.db2.gz LUZRPWCVTUCFLW-UHFFFAOYSA-N 0 0 226.301 2.187 10 0 BEAERN CCCc1nc2ccccc2n1CC(=O)NCC ZINC000040295775 169595005 /nfs/dbraw/zinc/59/50/05/169595005.db2.gz VMHUUWPLJOHKDG-UHFFFAOYSA-N 0 0 245.326 2.125 10 0 BEAERN CCCc1nnc(NCC[C@H](O)C(C)C)s1 ZINC000301682725 169598660 /nfs/dbraw/zinc/59/86/60/169598660.db2.gz UFZQSYSPDDJTFZ-VIFPVBQESA-N 0 0 243.376 2.310 10 0 BEAERN Cn1c(COc2ccc(F)cc2)nnc1C1CC1 ZINC000194654970 259625118 /nfs/dbraw/zinc/62/51/18/259625118.db2.gz VMRIJDLKFQRIKA-UHFFFAOYSA-N 0 0 247.273 2.411 10 0 BEAERN Cc1cnn(CCNc2cc(C(C)C)ncn2)c1 ZINC000225734181 134357159 /nfs/dbraw/zinc/35/71/59/134357159.db2.gz ARDFCXZNDMOICP-UHFFFAOYSA-N 0 0 245.330 2.217 10 0 BEAERN CCCn1cc(N)cc1C(=O)N(C)[C@H](C)CC ZINC000036862823 169619361 /nfs/dbraw/zinc/61/93/61/169619361.db2.gz DPPOJMTXJOYOQZ-SNVBAGLBSA-N 0 0 237.347 2.351 10 0 BEAERN CCCn1cc(NCc2ccncc2)ccc1=O ZINC000037774641 169620685 /nfs/dbraw/zinc/62/06/85/169620685.db2.gz WQFFGRTVDUOKBL-UHFFFAOYSA-N 0 0 243.310 2.265 10 0 BEAERN CCN(C(=O)c1ccc(N)c(F)c1)C1CC1 ZINC000054405387 169657697 /nfs/dbraw/zinc/65/76/97/169657697.db2.gz NRVVZFLHHMKBIP-UHFFFAOYSA-N 0 0 222.263 2.032 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184871366 134369642 /nfs/dbraw/zinc/36/96/42/134369642.db2.gz RWFLTSANRSDCKT-YNEHKIRRSA-N 0 0 241.375 2.336 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1C[C@@H]1C ZINC000184940963 134371364 /nfs/dbraw/zinc/37/13/64/134371364.db2.gz ARLBRNDZKVDIBF-LOWDOPEQSA-N 0 0 239.359 2.496 10 0 BEAERN CC[C@H](NC(=O)c1ccc(F)nc1)C(C)C ZINC000069632852 383837079 /nfs/dbraw/zinc/83/70/79/383837079.db2.gz GGOQWNPUUFHQHJ-JTQLQIEISA-N 0 0 224.279 2.385 10 0 BEAERN C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C)c1ccccc1 ZINC000295889484 383879545 /nfs/dbraw/zinc/87/95/45/383879545.db2.gz DXAKAGWAWXSATD-SCRDCRAPSA-N 0 0 247.338 2.162 10 0 BEAERN O=C(c1c[nH]nc1C(F)(F)F)C(F)(F)F ZINC000087493555 383848951 /nfs/dbraw/zinc/84/89/51/383848951.db2.gz PCLLMNFRDBCHJX-UHFFFAOYSA-N 0 0 232.083 2.174 10 0 BEAERN CSc1ccc(C(=O)N[C@@H]2C[C@@H]2C)o1 ZINC000112285672 383910295 /nfs/dbraw/zinc/91/02/95/383910295.db2.gz JPUQJXHHYOSLQO-NKWVEPMBSA-N 0 0 211.286 2.140 10 0 BEAERN CCN(C[C@H]1CCCO1)c1ccnc(C2CC2)n1 ZINC000112076312 383895274 /nfs/dbraw/zinc/89/52/74/383895274.db2.gz CEFVGORKFMQRCD-GFCCVEGCSA-N 0 0 247.342 2.359 10 0 BEAERN Nc1nc2ccc(C(=O)N3CCCCC3)cc2o1 ZINC000068593789 384001883 /nfs/dbraw/zinc/00/18/83/384001883.db2.gz FDUPDIJQJCJVPR-UHFFFAOYSA-N 0 0 245.282 2.036 10 0 BEAERN COc1ccc(C#N)c([N+](=O)[O-])c1C(F)(F)F ZINC000575649768 383991599 /nfs/dbraw/zinc/99/15/99/383991599.db2.gz PDFKCQYZTBMUKH-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN C[C@@H]1C[C@H]1Nc1nc2ccccc2n1C ZINC000070609123 383937812 /nfs/dbraw/zinc/93/78/12/383937812.db2.gz JUUWIYZESIVXNA-PSASIEDQSA-N 0 0 201.273 2.394 10 0 BEAERN Cc1ccc(C)c(C(=O)NC[C@H]2CCC[C@H]2O)c1 ZINC000089163499 383938261 /nfs/dbraw/zinc/93/82/61/383938261.db2.gz UUFFOLZMOSIGLA-TZMCWYRMSA-N 0 0 247.338 2.194 10 0 BEAERN C[C@H](N[C@@H](CO)C(F)(F)F)c1ccccc1 ZINC000068576977 383999826 /nfs/dbraw/zinc/99/98/26/383999826.db2.gz WPRAZMSOEFRBNF-WPRPVWTQSA-N 0 0 233.233 2.260 10 0 BEAERN CC(C)=CCNc1ncnc2c(C)[nH]nc21 ZINC000089212023 383945771 /nfs/dbraw/zinc/94/57/71/383945771.db2.gz BLDZPZNNKDXRFO-UHFFFAOYSA-N 0 0 217.276 2.039 10 0 BEAERN CCc1ccccc1CNCc1nccn1C ZINC000112729856 383946659 /nfs/dbraw/zinc/94/66/59/383946659.db2.gz DTVJNUKKZNREEV-UHFFFAOYSA-N 0 0 229.327 2.272 10 0 BEAERN Nc1ccc(-c2ccccc2)c2c1C(=O)NC2 ZINC000089211333 383947071 /nfs/dbraw/zinc/94/70/71/383947071.db2.gz VTISKZAZNQZMPQ-UHFFFAOYSA-N 0 0 224.263 2.179 10 0 BEAERN Nc1[nH]c(=S)[nH]c2nnc(-c3ccccc3)c1-2 ZINC000089222800 383949457 /nfs/dbraw/zinc/94/94/57/383949457.db2.gz MLLBBBCEXVTKNP-UHFFFAOYSA-N 0 0 243.295 2.265 10 0 BEAERN CN(C)c1nc2cnc(Cl)cc2s1 ZINC000089229167 383952632 /nfs/dbraw/zinc/95/26/32/383952632.db2.gz FGLFINCJFQYHCW-UHFFFAOYSA-N 0 0 213.693 2.411 10 0 BEAERN c1csc(-c2n[nH]c3ncccc32)n1 ZINC000089224585 383952804 /nfs/dbraw/zinc/95/28/04/383952804.db2.gz KOUSMNZQLQTNLG-UHFFFAOYSA-N 0 0 202.242 2.081 10 0 BEAERN FC(F)(F)c1ccnc(N[C@@H]2CCCOC2)n1 ZINC000113197568 383970524 /nfs/dbraw/zinc/97/05/24/383970524.db2.gz CWBKUOPOGBHVMN-SSDOTTSWSA-N 0 0 247.220 2.086 10 0 BEAERN Cc1ccncc1NC[C@@H]1CCC=CO1 ZINC000070958480 383971779 /nfs/dbraw/zinc/97/17/79/383971779.db2.gz DCYHSGWNZXNYFS-NSHDSACASA-N 0 0 204.273 2.495 10 0 BEAERN Cc1nnc([C@H](C)N2CCS[C@@H](C)C2)s1 ZINC000335852594 384012585 /nfs/dbraw/zinc/01/25/85/384012585.db2.gz UHHQLHSAIFBNHZ-YUMQZZPRSA-N 0 0 243.401 2.345 10 0 BEAERN CCOc1c(C)cc(C(C)=O)cc1C#N ZINC000575650822 384049281 /nfs/dbraw/zinc/04/92/81/384049281.db2.gz YARWPTLPGFPJGS-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@H](C)C[C@@H]2C)n1 ZINC000336509661 384031406 /nfs/dbraw/zinc/03/14/06/384031406.db2.gz BRRMHDHHUQWBHW-SFYZADRCSA-N 0 0 223.295 2.467 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@@H](C)C[C@@H]2C)n1 ZINC000336509662 384032744 /nfs/dbraw/zinc/03/27/44/384032744.db2.gz BRRMHDHHUQWBHW-YUMQZZPRSA-N 0 0 223.295 2.467 10 0 BEAERN O=C(C1CCOCC1)N1CCC[C@@H]1c1ccco1 ZINC000116040927 384033125 /nfs/dbraw/zinc/03/31/25/384033125.db2.gz DMKSUTPNLYWXPF-GFCCVEGCSA-N 0 0 249.310 2.370 10 0 BEAERN CCOc1ccccc1[C@H](C)NCc1cn[nH]n1 ZINC000296307610 384035910 /nfs/dbraw/zinc/03/59/10/384035910.db2.gz NEKGHYPUVCDBMP-JTQLQIEISA-N 0 0 246.314 2.054 10 0 BEAERN CCc1c(C(C)=O)cc(C#N)cc1[N+](=O)[O-] ZINC000575650489 384039313 /nfs/dbraw/zinc/03/93/13/384039313.db2.gz YWOQTFDVGPYMEQ-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CC(C)(C)C(=O)n1ncc2cc(N)ccc21 ZINC000090600243 384063244 /nfs/dbraw/zinc/06/32/44/384063244.db2.gz YNHPTTHUFMALFY-UHFFFAOYSA-N 0 0 217.272 2.305 10 0 BEAERN Cn1ccc(NC(=O)C(C)(C)c2cccs2)n1 ZINC000115010993 384064476 /nfs/dbraw/zinc/06/44/76/384064476.db2.gz XZMWRIKLOIJJGY-UHFFFAOYSA-N 0 0 249.339 2.398 10 0 BEAERN Cn1cc(NC(=O)C(C)(C)c2cccs2)cn1 ZINC000115038989 384066606 /nfs/dbraw/zinc/06/66/06/384066606.db2.gz FCSNHOOTNISGHF-UHFFFAOYSA-N 0 0 249.339 2.398 10 0 BEAERN Cc1ccc2n1CCN(C(=O)C1CC1)[C@H]2C ZINC000070236634 384090949 /nfs/dbraw/zinc/09/09/49/384090949.db2.gz XVVDYUSHRGGDBI-JTQLQIEISA-N 0 0 218.300 2.110 10 0 BEAERN CCN(C(=O)C1CC1)[C@@H](C)c1cccnc1 ZINC000115231068 384073604 /nfs/dbraw/zinc/07/36/04/384073604.db2.gz BVNLJMXXFLUWKP-JTQLQIEISA-N 0 0 218.300 2.401 10 0 BEAERN CC(C)=C[C@]1(C)NC(=S)C(=O)S1 ZINC000039105031 384104362 /nfs/dbraw/zinc/10/43/62/384104362.db2.gz PLMIKVACRMJSMV-MRVPVSSYSA-N 0 0 201.316 2.271 10 0 BEAERN COC(=O)c1ccc(C[C@@H](C)C(C)=O)cc1 ZINC000039117823 384106672 /nfs/dbraw/zinc/10/66/72/384106672.db2.gz UJEOZBUMSWVNBD-SECBINFHSA-N 0 0 220.268 2.241 10 0 BEAERN CS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000039140619 384108218 /nfs/dbraw/zinc/10/82/18/384108218.db2.gz JZNUYJAIJIXLJX-UHFFFAOYSA-N 0 0 241.699 2.292 10 0 BEAERN CC(C)(C)c1cc(C(F)(F)F)nc(=O)[nH]1 ZINC000070451383 384109346 /nfs/dbraw/zinc/10/93/46/384109346.db2.gz MOMPPHSKYPYUKS-UHFFFAOYSA-N 0 0 220.194 2.499 10 0 BEAERN Cc1ccc([C@@H]2Cc3c(cnn3C)[C@@H](O)C2)cc1 ZINC000072415830 384109509 /nfs/dbraw/zinc/10/95/09/384109509.db2.gz CPEMVNAYUVWNTM-DOMZBBRYSA-N 0 0 242.322 2.492 10 0 BEAERN O=C([O-])[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000070502271 384114787 /nfs/dbraw/zinc/11/47/87/384114787.db2.gz BCQIZTCQDPPZFQ-GXSJLCMTSA-N 0 0 211.305 2.162 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/[N+](=O)[O-] ZINC000091351758 384121320 /nfs/dbraw/zinc/12/13/20/384121320.db2.gz PAWKTAHOTPAHNV-ORZBULNSSA-N 0 0 242.275 2.176 10 0 BEAERN c1cc2ccnc(N3CCOCC3)c2s1 ZINC000091368607 384123305 /nfs/dbraw/zinc/12/33/05/384123305.db2.gz TVZAFUNDLIYPPW-UHFFFAOYSA-N 0 0 220.297 2.133 10 0 BEAERN Cc1ccc(S(=O)(=O)N2C[C@H]2C(C)C)cc1 ZINC000039952056 384125939 /nfs/dbraw/zinc/12/59/39/384125939.db2.gz KEQXAGSLQICYGJ-UEWDXFNNSA-N 0 0 239.340 2.024 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)nc1 ZINC000336559860 384138142 /nfs/dbraw/zinc/13/81/42/384138142.db2.gz VXKMXXOREHALJV-WDEREUQCSA-N 0 0 231.299 2.406 10 0 BEAERN O=Cc1nc2cc(Br)ccc2[nH]1 ZINC000040448820 384153971 /nfs/dbraw/zinc/15/39/71/384153971.db2.gz YILYMJBPLFCXEB-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN CC(=O)c1ccccc1OCC(=O)NC(C)(C)C ZINC000006051804 384142177 /nfs/dbraw/zinc/14/21/77/384142177.db2.gz FVBZXUTUFPBUBF-UHFFFAOYSA-N 0 0 249.310 2.183 10 0 BEAERN Cc1ccncc1NCC1CCOCC1 ZINC000070958578 384142994 /nfs/dbraw/zinc/14/29/94/384142994.db2.gz HLWFOCNAKQZREH-UHFFFAOYSA-N 0 0 206.289 2.229 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(OC)c1OC ZINC000260239788 384174079 /nfs/dbraw/zinc/17/40/79/384174079.db2.gz UBJHDYGPEPTZSU-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN COC(=O)c1cnc(C(C)(C)C)nc1Cl ZINC000117978911 384185844 /nfs/dbraw/zinc/18/58/44/384185844.db2.gz APURDRCSFCEZAJ-UHFFFAOYSA-N 0 0 228.679 2.214 10 0 BEAERN O=C([O-])C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000041282711 384184361 /nfs/dbraw/zinc/18/43/61/384184361.db2.gz HVOKAUOIVHUVCF-UHFFFAOYSA-N 0 0 239.702 2.046 10 0 BEAERN CS[C@@H](C)C(=O)Nc1ncc(C(C)=O)s1 ZINC000118631472 384205779 /nfs/dbraw/zinc/20/57/79/384205779.db2.gz ZRQIUYXNBFDUNE-LURJTMIESA-N 0 0 244.341 2.036 10 0 BEAERN CSC1CCC(NC(=O)C(F)F)CC1 ZINC000235138840 384206343 /nfs/dbraw/zinc/20/63/43/384206343.db2.gz ZLBAJPAAYLHBFX-UHFFFAOYSA-N 0 0 223.288 2.042 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC(=O)Nc2ccccc21 ZINC000118619174 384207304 /nfs/dbraw/zinc/20/73/04/384207304.db2.gz RYIPZXOYNNYTAI-SNVBAGLBSA-N 0 0 246.310 2.408 10 0 BEAERN CCOCc1cc(Cl)nc(Cl)n1 ZINC000072194564 384199838 /nfs/dbraw/zinc/19/98/38/384199838.db2.gz LAKFUTVFNIDEAC-UHFFFAOYSA-N 0 0 207.060 2.320 10 0 BEAERN Cc1sc(N)nc1-c1ccc2c(c1)CC(=O)N2 ZINC000004930029 384235608 /nfs/dbraw/zinc/23/56/08/384235608.db2.gz HABMBOTZBWCROV-UHFFFAOYSA-N 0 0 245.307 2.195 10 0 BEAERN CC(C)CCCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132535017 384235681 /nfs/dbraw/zinc/23/56/81/384235681.db2.gz DLWDRCXRQQKMGV-NSHDSACASA-N 0 0 249.358 2.382 10 0 BEAERN CC(C)(C)OCC(=O)N[C@H]1COc2ccccc21 ZINC000158503438 384236480 /nfs/dbraw/zinc/23/64/80/384236480.db2.gz HLFVHNBWXJSKCT-NSHDSACASA-N 0 0 249.310 2.051 10 0 BEAERN Cc1n[nH]cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000093438516 384237669 /nfs/dbraw/zinc/23/76/69/384237669.db2.gz LWKIHDUIEFAQCT-ZDUSSCGKSA-N 0 0 245.330 2.168 10 0 BEAERN CCc1cc(C(F)(F)F)c(C(N)=O)cc1C#N ZINC000575646181 384214242 /nfs/dbraw/zinc/21/42/42/384214242.db2.gz FMXXQOLOHMABBJ-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN O=Cc1n[nH]c2ccc(OC(F)(F)F)cc12 ZINC000043220630 384266697 /nfs/dbraw/zinc/26/66/97/384266697.db2.gz INGWPRMAFXVFSF-UHFFFAOYSA-N 0 0 230.145 2.274 10 0 BEAERN Cc1ccncc1N[C@H](C)CCn1cccn1 ZINC000159331389 384322200 /nfs/dbraw/zinc/32/22/00/384322200.db2.gz RCHKLGXKFMLVCV-GFCCVEGCSA-N 0 0 230.315 2.477 10 0 BEAERN Nc1cc(Oc2nccs2)ccc1O ZINC000074942293 384314693 /nfs/dbraw/zinc/31/46/93/384314693.db2.gz KJRNAVJRYJWNRP-UHFFFAOYSA-N 0 0 208.242 2.223 10 0 BEAERN Cc1nc(C)c(CNc2nncs2)s1 ZINC000134424426 384322746 /nfs/dbraw/zinc/32/27/46/384322746.db2.gz KGXNXNWAHPCBSS-UHFFFAOYSA-N 0 0 226.330 2.224 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)c(C)c1 ZINC000133441071 384292386 /nfs/dbraw/zinc/29/23/86/384292386.db2.gz ZJVKHLWTSXVHGK-NWDGAFQWSA-N 0 0 235.327 2.050 10 0 BEAERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC000133502805 384294322 /nfs/dbraw/zinc/29/43/22/384294322.db2.gz URAVZJWGBUIYEK-VHSXEESVSA-N 0 0 247.294 2.180 10 0 BEAERN CC(C)n1c(N)nnc1SCC1CCC1 ZINC000083839306 384339477 /nfs/dbraw/zinc/33/94/77/384339477.db2.gz QNMKUICIZRJPSL-UHFFFAOYSA-N 0 0 226.349 2.333 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000134269751 384342395 /nfs/dbraw/zinc/34/23/95/384342395.db2.gz BUICSGJONWUGLL-CABZTGNLSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000134269423 384343199 /nfs/dbraw/zinc/34/31/99/384343199.db2.gz AQBVQFOYPTWKQS-BXKDBHETSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000134269446 384343222 /nfs/dbraw/zinc/34/32/22/384343222.db2.gz AQBVQFOYPTWKQS-JOYOIKCWSA-N 0 0 244.294 2.075 10 0 BEAERN Cc1ccc(F)c(Br)c1N ZINC000075926067 384346784 /nfs/dbraw/zinc/34/67/84/384346784.db2.gz QWAYQUHVVUYSHD-UHFFFAOYSA-N 0 0 204.042 2.479 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CC=CCC1 ZINC000075981269 384349971 /nfs/dbraw/zinc/34/99/71/384349971.db2.gz JXINJROPYAHUJM-VWYCJHECSA-N 0 0 208.305 2.050 10 0 BEAERN COC(=O)c1ccccc1N(C)C(F)(F)F ZINC000095076113 384352872 /nfs/dbraw/zinc/35/28/72/384352872.db2.gz WFZQXZTVHFZJHF-UHFFFAOYSA-N 0 0 233.189 2.429 10 0 BEAERN O=Cc1ccc(OC(F)(F)F)c(O)c1 ZINC000044830755 384361906 /nfs/dbraw/zinc/36/19/06/384361906.db2.gz GUJKNDILDUPKTA-UHFFFAOYSA-N 0 0 206.119 2.103 10 0 BEAERN C[C@H]1C[C@@H](Nc2ccnc(Cl)n2)CCO1 ZINC000220110117 384364218 /nfs/dbraw/zinc/36/42/18/384364218.db2.gz AUUBUISMUFYQGS-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1cc(F)ccc1F ZINC000335596335 384366421 /nfs/dbraw/zinc/36/64/21/384366421.db2.gz MGCVNCXKJFIUHL-TVQRCGJNSA-N 0 0 241.281 2.310 10 0 BEAERN CO[C@@H](c1ccccc1Cl)[C@@H](C)NO ZINC000095347601 384368078 /nfs/dbraw/zinc/36/80/78/384368078.db2.gz RKXBNTAHBSGATO-GMSGAONNSA-N 0 0 215.680 2.395 10 0 BEAERN Nc1c(-c2cccc(F)c2)nc2scnn12 ZINC000095221134 384368883 /nfs/dbraw/zinc/36/88/83/384368883.db2.gz QQFOFHDVBKJQOZ-UHFFFAOYSA-N 0 0 234.259 2.179 10 0 BEAERN COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H]1C ZINC000075512038 384327010 /nfs/dbraw/zinc/32/70/10/384327010.db2.gz WLFZGTLPLKKACB-XVKPBYJWSA-N 0 0 239.702 2.487 10 0 BEAERN CC(C)c1nc(C(=O)N[C@H]2C[C@H]2C)cs1 ZINC000075510070 384327285 /nfs/dbraw/zinc/32/72/85/384327285.db2.gz LQFMUAQSIYDRDG-SFYZADRCSA-N 0 0 224.329 2.405 10 0 BEAERN COc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1C ZINC000075524498 384328780 /nfs/dbraw/zinc/32/87/80/384328780.db2.gz WZBYLSRJVQXQLK-GXSJLCMTSA-N 0 0 219.284 2.142 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000075524454 384329311 /nfs/dbraw/zinc/32/93/11/384329311.db2.gz UIQZSRRQNYKVOP-KOLCDFICSA-N 0 0 241.294 2.215 10 0 BEAERN CCOc1cc(CO)c(C)cc1OC(F)F ZINC000575658376 384394329 /nfs/dbraw/zinc/39/43/29/384394329.db2.gz SKYISDUQHLQCAA-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN COC(=O)C[C@H]1CCc2cc(OC)ccc21 ZINC000095829877 384399449 /nfs/dbraw/zinc/39/94/49/384399449.db2.gz ANKFGULNZWGLMH-SNVBAGLBSA-N 0 0 220.268 2.288 10 0 BEAERN COc1cc(C)c(OC(F)F)cc1C=O ZINC000575664570 384426422 /nfs/dbraw/zinc/42/64/22/384426422.db2.gz IPZIBLYXGFGICC-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN Nc1nc2c(cccc2C(F)(F)F)[nH]1 ZINC000095831038 384402391 /nfs/dbraw/zinc/40/23/91/384402391.db2.gz AQVNLAOCLFQQDY-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN Nc1cc(-n2ccc3ccccc32)ncn1 ZINC000095908438 384406075 /nfs/dbraw/zinc/40/60/75/384406075.db2.gz GVUHHXUNRKDNKP-UHFFFAOYSA-N 0 0 210.240 2.003 10 0 BEAERN CCC[C@H](CC)NC(=O)CCc1ccnn1C ZINC000121271411 384406659 /nfs/dbraw/zinc/40/66/59/384406659.db2.gz ORDATWPHJNGTGN-NSHDSACASA-N 0 0 237.347 2.048 10 0 BEAERN Cc1ccnc(-c2c(N)cccc2O)c1 ZINC000095922577 384409681 /nfs/dbraw/zinc/40/96/81/384409681.db2.gz OBNMSIMLTCPTHI-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN C1=Cc2c(ccc3c4c(ccc23)=NCS4)=C1 ZINC000095931729 384410174 /nfs/dbraw/zinc/41/01/74/384410174.db2.gz GQLCQOBJZPXUMM-UHFFFAOYSA-N 0 0 223.300 2.330 10 0 BEAERN CCc1cc(C(O)=S)c(OC)cc1N ZINC000095931764 384410267 /nfs/dbraw/zinc/41/02/67/384410267.db2.gz MSNYEZHCLSIAER-UHFFFAOYSA-N 0 0 211.286 2.073 10 0 BEAERN Fc1c[nH]c2c1nc(Cl)nc2Cl ZINC000095930410 384410904 /nfs/dbraw/zinc/41/09/04/384410904.db2.gz KCJPYNHUEVEOGY-UHFFFAOYSA-N 0 0 206.007 2.404 10 0 BEAERN Cc1n[nH]c2cc(Br)cc(N)c12 ZINC000014986106 384411695 /nfs/dbraw/zinc/41/16/95/384411695.db2.gz XMAMFUFNVSKGRF-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN C[C@H]1COCCN1c1nc(Cl)cc(Cl)n1 ZINC000095933505 384412362 /nfs/dbraw/zinc/41/23/62/384412362.db2.gz HMLLFDAFTXWPNN-LURJTMIESA-N 0 0 248.113 2.009 10 0 BEAERN Cc1cnccc1NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000121332775 384413044 /nfs/dbraw/zinc/41/30/44/384413044.db2.gz FYWXCVUGEQKDGS-ZYHUDNBSSA-N 0 0 249.314 2.079 10 0 BEAERN Nc1nccc(-c2c[nH]c3nc(Cl)ccc23)n1 ZINC000095937799 384416470 /nfs/dbraw/zinc/41/64/70/384416470.db2.gz ZQFXPMBUYAMJFN-UHFFFAOYSA-N 0 0 245.673 2.256 10 0 BEAERN CC[C@@H](CO)Nc1nccc2sccc21 ZINC000035687770 384417672 /nfs/dbraw/zinc/41/76/72/384417672.db2.gz YFPZYOVOLLFCPN-QMMMGPOBSA-N 0 0 222.313 2.479 10 0 BEAERN COc1cc(OC(F)F)cc(C(C)=O)c1C=O ZINC000575662159 384420016 /nfs/dbraw/zinc/42/00/16/384420016.db2.gz YKQZVIHZIRVBSR-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN COc1cc(O)c(OC(F)F)cc1C(C)=O ZINC000575662956 384420247 /nfs/dbraw/zinc/42/02/47/384420247.db2.gz LVWDUFXZYIOSHY-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN Cc1cc(O)cc(C=O)c1OC(F)F ZINC000575663378 384425154 /nfs/dbraw/zinc/42/51/54/384425154.db2.gz XVKHCWUCFGFZQT-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(OC(F)F)c(O)cc1C ZINC000575664235 384425323 /nfs/dbraw/zinc/42/53/23/384425323.db2.gz DTTXTUMNCIPMMZ-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCOc1cc(CO)c(F)cc1OC(F)F ZINC000575657563 384385971 /nfs/dbraw/zinc/38/59/71/384385971.db2.gz XRXJZNHMQCPZNV-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Nc1cccc(C(=O)Nc2ccccc2)c1O ZINC000134756614 384387060 /nfs/dbraw/zinc/38/70/60/384387060.db2.gz PTGSDRFHFSNCIP-UHFFFAOYSA-N 0 0 228.251 2.227 10 0 BEAERN CCC[C@@](C)(O)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000121910020 384445243 /nfs/dbraw/zinc/44/52/43/384445243.db2.gz FPWWXABXPYZQAQ-ZWNOBZJWSA-N 0 0 239.315 2.316 10 0 BEAERN C[C@H](O)CCN(C)c1ccc2ccccc2n1 ZINC000135258324 384427655 /nfs/dbraw/zinc/42/76/55/384427655.db2.gz SLXFHPKNCCNDOW-NSHDSACASA-N 0 0 230.311 2.442 10 0 BEAERN C[C@H](O)C(C)(C)NC(=O)/C=C/c1cccs1 ZINC000135361065 384439501 /nfs/dbraw/zinc/43/95/01/384439501.db2.gz QVGQTJITCRUDBM-UCUJLANTSA-N 0 0 239.340 2.037 10 0 BEAERN COc1cc(C)c(CO)c(C(F)F)c1 ZINC000575670710 384460984 /nfs/dbraw/zinc/46/09/84/384460984.db2.gz KTRYAHWVNKPROM-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN CC(C)CN1c2cc(N)ccc2O[C@H](C)C1=O ZINC000011568942 384461755 /nfs/dbraw/zinc/46/17/55/384461755.db2.gz LCVLSQBMJYJMNP-SECBINFHSA-N 0 0 234.299 2.039 10 0 BEAERN COc1cc(OC(F)(F)F)c(OC)cc1O ZINC000575671561 384463702 /nfs/dbraw/zinc/46/37/02/384463702.db2.gz MHIQLHHOLOJCJP-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN COc1cc(O)c(OC)c(C(F)F)c1 ZINC000575672143 384465297 /nfs/dbraw/zinc/46/52/97/384465297.db2.gz YRSVTUMHQOFPPX-UHFFFAOYSA-N 0 0 204.172 2.347 10 0 BEAERN Cc1ccc(CC(=O)OCc2cncs2)cn1 ZINC000122222125 384466397 /nfs/dbraw/zinc/46/63/97/384466397.db2.gz FLUOFDYHQBXQSW-UHFFFAOYSA-N 0 0 248.307 2.132 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)ccc1O ZINC000148556900 384469087 /nfs/dbraw/zinc/46/90/87/384469087.db2.gz ZNCUVNNUHRIBOH-BXKDBHETSA-N 0 0 235.283 2.207 10 0 BEAERN Cc1nc([C@H]2NC[C@@H](C)CS2)cs1 ZINC000126792058 384471653 /nfs/dbraw/zinc/47/16/53/384471653.db2.gz PDZOQTLVURCQBM-MUWHJKNJSA-N 0 0 214.359 2.423 10 0 BEAERN COc1cc(C)c(Br)c(O)c1 ZINC000036449004 384476193 /nfs/dbraw/zinc/47/61/93/384476193.db2.gz XPSZYQHWXXJDRE-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COC(=O)[C@H]1CC[C@H](c2ccccc2C)CN1 ZINC000079026403 384478481 /nfs/dbraw/zinc/47/84/81/384478481.db2.gz DHMSYKCKJJPEIN-WCQYABFASA-N 0 0 233.311 2.004 10 0 BEAERN COC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)CN1 ZINC000079026392 384480412 /nfs/dbraw/zinc/48/04/12/384480412.db2.gz BSHFSTHSBFHPAK-OLZOCXBDSA-N 0 0 233.311 2.004 10 0 BEAERN COC(=O)c1ccc([C@H]2CCC(=O)C2)cc1 ZINC000079064030 384482093 /nfs/dbraw/zinc/48/20/93/384482093.db2.gz OITDJNXTOFVJCL-NSHDSACASA-N 0 0 218.252 2.310 10 0 BEAERN CCOc1ccc(-c2nc[nH]c(=O)c2C)cc1 ZINC000079067318 384482991 /nfs/dbraw/zinc/48/29/91/384482991.db2.gz BQYFYUJIDXEMOR-UHFFFAOYSA-N 0 0 230.267 2.144 10 0 BEAERN Cc1ccc(OCc2nnc(C(C)C)o2)cn1 ZINC000136642490 384501344 /nfs/dbraw/zinc/50/13/44/384501344.db2.gz NDVRNFHXYMDECK-UHFFFAOYSA-N 0 0 233.271 2.475 10 0 BEAERN CCc1ccc([C@@H](C)NC(=O)NC)cc1 ZINC000048487185 384494198 /nfs/dbraw/zinc/49/41/98/384494198.db2.gz GTZIZYOVOJXTMU-SECBINFHSA-N 0 0 206.289 2.239 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H](O)C(C)(C)C)o1 ZINC000304239729 384515856 /nfs/dbraw/zinc/51/58/56/384515856.db2.gz NKOKZLSTNMKODP-UWVGGRQHSA-N 0 0 226.320 2.041 10 0 BEAERN CCCSc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000005155038 384521997 /nfs/dbraw/zinc/52/19/97/384521997.db2.gz GDCBFYBZFHEIGD-UHFFFAOYSA-N 0 0 238.234 2.291 10 0 BEAERN C[C@@H](COCc1ccccc1)Nc1cnccn1 ZINC000172780901 384524631 /nfs/dbraw/zinc/52/46/31/384524631.db2.gz KYEZABMGNWXEKG-LBPRGKRZSA-N 0 0 243.310 2.494 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC[C@H]2CC=CCC2)O1 ZINC000150939937 384527340 /nfs/dbraw/zinc/52/73/40/384527340.db2.gz MKONHBUHKUSPJM-WOPDTQHZSA-N 0 0 223.316 2.026 10 0 BEAERN O=Cc1cccn1-c1ncc(Cl)s1 ZINC000097673641 384541874 /nfs/dbraw/zinc/54/18/74/384541874.db2.gz WQWDJHZTPKXDGL-UHFFFAOYSA-N 0 0 212.661 2.400 10 0 BEAERN F[C@@H]1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000306353829 384546792 /nfs/dbraw/zinc/54/67/92/384546792.db2.gz QJVCZQKSXBIZDL-RNFRBKRXSA-N 0 0 215.659 2.433 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151209649 384547881 /nfs/dbraw/zinc/54/78/81/384547881.db2.gz ROQQVXSMCMTYCY-RKDXNWHRSA-N 0 0 235.274 2.058 10 0 BEAERN C[C@@H](c1ccncc1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151032781 384537180 /nfs/dbraw/zinc/53/71/80/384537180.db2.gz DTFNSYXGRHVAGK-NTZNESFSSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCc2c(F)cccc2C1 ZINC000123611603 384573767 /nfs/dbraw/zinc/57/37/67/384573767.db2.gz RUMSDJSQYOBCJE-RNCFNFMXSA-N 0 0 248.301 2.302 10 0 BEAERN O=Cc1c(Cl)cccc1-n1cccn1 ZINC000020079195 384574118 /nfs/dbraw/zinc/57/41/18/384574118.db2.gz BULVWSWDCIRHEL-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CC(C)[N@H+](CCO)Cc1ccc2ccccc2n1 ZINC000049857014 384575479 /nfs/dbraw/zinc/57/54/79/384575479.db2.gz MCHVKSMAVBOQCV-UHFFFAOYSA-N 0 0 244.338 2.438 10 0 BEAERN CC(C)(C)NC(=O)CSc1ccccc1O ZINC000050046930 384588090 /nfs/dbraw/zinc/58/80/90/384588090.db2.gz ZJCFRTQSNFYVHC-UHFFFAOYSA-N 0 0 239.340 2.399 10 0 BEAERN COC[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103365369 384608280 /nfs/dbraw/zinc/60/82/80/384608280.db2.gz YOFVOXBYUHEPPR-DCAQKATOSA-N 0 0 213.321 2.058 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccccc1C ZINC000103356016 384608777 /nfs/dbraw/zinc/60/87/77/384608777.db2.gz XHFKPLZJLFOACV-SNVBAGLBSA-N 0 0 207.273 2.216 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000103357320 384608864 /nfs/dbraw/zinc/60/88/64/384608864.db2.gz DLTQSSKWJJMBAB-SMDDNHRTSA-N 0 0 247.338 2.463 10 0 BEAERN COC[C@@H](C)C(=O)NCC(C)(C)c1ccccc1 ZINC000103374331 384611500 /nfs/dbraw/zinc/61/15/00/384611500.db2.gz MNEMZUKXJGLCCC-GFCCVEGCSA-N 0 0 249.354 2.363 10 0 BEAERN CC(C)c1ccc2c(O)cc(=O)n(C)c2c1 ZINC000100251854 384627232 /nfs/dbraw/zinc/62/72/32/384627232.db2.gz ULOSJLJFNCBFMU-UHFFFAOYSA-N 0 0 217.268 2.368 10 0 BEAERN CNc1c(C)cc(Br)cc1N ZINC000098179020 384599285 /nfs/dbraw/zinc/59/92/85/384599285.db2.gz IFVXMERCSSRDSV-UHFFFAOYSA-N 0 0 215.094 2.381 10 0 BEAERN COC(=O)c1sc(N)c(C)c1Cl ZINC000098177831 384599888 /nfs/dbraw/zinc/59/98/88/384599888.db2.gz PHLWTOPSYBEYQN-UHFFFAOYSA-N 0 0 205.666 2.079 10 0 BEAERN CCOC(=O)CSCc1cc(O)ccc1F ZINC000098203791 384601710 /nfs/dbraw/zinc/60/17/10/384601710.db2.gz CXVQGOFTDOJZNF-UHFFFAOYSA-N 0 0 244.287 2.328 10 0 BEAERN Clc1cnc2cnc(Br)cn12 ZINC000098180521 384601841 /nfs/dbraw/zinc/60/18/41/384601841.db2.gz RLWTZNHOPYIRHE-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CNC(=O)N(C)c1cccc(Br)c1 ZINC000258772500 384663213 /nfs/dbraw/zinc/66/32/13/384663213.db2.gz XHAUSAOAILTSRJ-UHFFFAOYSA-N 0 0 243.104 2.225 10 0 BEAERN CCC[C@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754744 384670667 /nfs/dbraw/zinc/67/06/67/384670667.db2.gz WIFIMQCSJKSWRL-QWHCGFSZSA-N 0 0 249.358 2.310 10 0 BEAERN CC(C)(C)Nc1nc2c(s1)COCC2 ZINC000061714630 384673974 /nfs/dbraw/zinc/67/39/74/384673974.db2.gz NPDQLUISJCHJLW-UHFFFAOYSA-N 0 0 212.318 2.426 10 0 BEAERN Cc1ccc(CO)c(F)c1Br ZINC000575689593 384634250 /nfs/dbraw/zinc/63/42/50/384634250.db2.gz UGZMOJZLVHCYDZ-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN CCCCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124525353 384649399 /nfs/dbraw/zinc/64/93/99/384649399.db2.gz KEHFGSSPNGYQKQ-UHFFFAOYSA-N 0 0 249.358 2.316 10 0 BEAERN Oc1c[nH]c2c1cccc2C(F)(F)F ZINC000082382348 384675644 /nfs/dbraw/zinc/67/56/44/384675644.db2.gz JDPJCRIQNFDAEF-UHFFFAOYSA-N 0 0 201.147 2.314 10 0 BEAERN CC(C)n1cc(N[C@@H]2CCSC2)cn1 ZINC000061682434 384659313 /nfs/dbraw/zinc/65/93/13/384659313.db2.gz CNIPCEDVYVGXJS-SECBINFHSA-N 0 0 211.334 2.381 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2CSC[C@@H]2C)n1 ZINC000309659958 384699896 /nfs/dbraw/zinc/69/98/96/384699896.db2.gz APQOZXIVCGTXFM-RCOVLWMOSA-N 0 0 241.335 2.396 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)s1 ZINC000051990209 384708338 /nfs/dbraw/zinc/70/83/38/384708338.db2.gz KPELEECPSZWMNP-ZJUUUORDSA-N 0 0 239.340 2.090 10 0 BEAERN C=C(C(=O)OC)c1ccc(OC)c(F)c1 ZINC000258947489 384709765 /nfs/dbraw/zinc/70/97/65/384709765.db2.gz DMGKZQLTITYRJB-UHFFFAOYSA-N 0 0 210.204 2.021 10 0 BEAERN C[C@@H](NC(=O)NCC1(C)CCC1)[C@@H]1CCCO1 ZINC000176632901 384713326 /nfs/dbraw/zinc/71/33/26/384713326.db2.gz RFOSKJKOVGQVTH-MNOVXSKESA-N 0 0 240.347 2.043 10 0 BEAERN O=C([C@@H]1CCCc2sccc21)N1CCCO1 ZINC000125409089 384715626 /nfs/dbraw/zinc/71/56/26/384715626.db2.gz MQHKUFPZJWUYLE-SNVBAGLBSA-N 0 0 237.324 2.332 10 0 BEAERN COc1ccc(CN2CCCCC2=O)cc1 ZINC000021994384 384720494 /nfs/dbraw/zinc/72/04/94/384720494.db2.gz QZXXQWFWZJWRSS-UHFFFAOYSA-N 0 0 219.284 2.208 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000083476799 384775276 /nfs/dbraw/zinc/77/52/76/384775276.db2.gz LJRKLGFZQSLZMD-JTQLQIEISA-N 0 0 235.331 2.240 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccc(Cl)nc1 ZINC000103552540 384779262 /nfs/dbraw/zinc/77/92/62/384779262.db2.gz ODHSGOOUVGSHKD-MRVPVSSYSA-N 0 0 243.690 2.061 10 0 BEAERN COc1ncccc1CNc1cc(C)c(C)nn1 ZINC000302268787 384742714 /nfs/dbraw/zinc/74/27/14/384742714.db2.gz GFRSSFSTPDPSDR-UHFFFAOYSA-N 0 0 244.298 2.109 10 0 BEAERN CCc1ccc(O)c(NC(=O)[C@H](C)COC)c1 ZINC000174089592 384753596 /nfs/dbraw/zinc/75/35/96/384753596.db2.gz YSWVCSOWFYRGJB-SECBINFHSA-N 0 0 237.299 2.176 10 0 BEAERN O=Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000083255338 384754307 /nfs/dbraw/zinc/75/43/07/384754307.db2.gz LCCOQKGOIDIVLG-UHFFFAOYSA-N 0 0 242.065 2.387 10 0 BEAERN CCCCCNC(=O)c1cnn2c1CCCC2 ZINC000125876930 384757192 /nfs/dbraw/zinc/75/71/92/384757192.db2.gz VMRYZLGMPMYFQF-UHFFFAOYSA-N 0 0 235.331 2.139 10 0 BEAERN C[C@H](N)c1nnc(-c2ccccc2F)s1 ZINC000083320365 384759813 /nfs/dbraw/zinc/75/98/13/384759813.db2.gz IYTIWZFFDCPUTA-LURJTMIESA-N 0 0 223.276 2.364 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000053010024 384760200 /nfs/dbraw/zinc/76/02/00/384760200.db2.gz XJLFQLWHYVFSPY-KCJUWKMLSA-N 0 0 207.248 2.272 10 0 BEAERN COC[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000103357111 384762070 /nfs/dbraw/zinc/76/20/70/384762070.db2.gz DGMMNQYAOXEPMW-SSDOTTSWSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@@H](C)C(=O)NCc1cccc(Cl)c1 ZINC000103357072 384762488 /nfs/dbraw/zinc/76/24/88/384762488.db2.gz CEJHTMWVSPRSMM-SECBINFHSA-N 0 0 241.718 2.239 10 0 BEAERN COC[C@H](C)C(=O)NC1CCCCCC1 ZINC000103357386 384762602 /nfs/dbraw/zinc/76/26/02/384762602.db2.gz QVXOMGJHRZBDOT-JTQLQIEISA-N 0 0 213.321 2.108 10 0 BEAERN COC[C@@H](C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000103373183 384764541 /nfs/dbraw/zinc/76/45/41/384764541.db2.gz HKSYFDZVXRTUHI-ZJUUUORDSA-N 0 0 225.288 2.082 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)c(C)c1 ZINC000103394613 384767239 /nfs/dbraw/zinc/76/72/39/384767239.db2.gz PBEPDOCUVBTPTK-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN CC(C)n1ccnc(NCc2ccccc2)c1=O ZINC000061762099 384770260 /nfs/dbraw/zinc/77/02/60/384770260.db2.gz LBMNABFTJNCOPB-UHFFFAOYSA-N 0 0 243.310 2.436 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000103429233 384771438 /nfs/dbraw/zinc/77/14/38/384771438.db2.gz FECSZBPXFHNQQD-AAEUAGOBSA-N 0 0 248.326 2.028 10 0 BEAERN Clc1cncc(-c2nccnc2Cl)n1 ZINC000072204455 384818736 /nfs/dbraw/zinc/81/87/36/384818736.db2.gz HDGXAFNPCZAAMY-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1C[C@@H]1C1CC1 ZINC000176958482 384822976 /nfs/dbraw/zinc/82/29/76/384822976.db2.gz BKMHFWRQOWOUEA-JHJVBQTASA-N 0 0 243.306 2.282 10 0 BEAERN CC(C)(C)c1cccc2c1nc[nH]c2=O ZINC000145820524 384781173 /nfs/dbraw/zinc/78/11/73/384781173.db2.gz RPUUJULTWKYPAF-UHFFFAOYSA-N 0 0 202.257 2.221 10 0 BEAERN Cc1c(Br)sc2c1COC2=O ZINC000145927389 384785532 /nfs/dbraw/zinc/78/55/32/384785532.db2.gz DNMXZJQTHUGWOQ-UHFFFAOYSA-N 0 0 233.086 2.489 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(C)nc(OC)n1 ZINC000310022980 384789741 /nfs/dbraw/zinc/78/97/41/384789741.db2.gz ODUPVXWCNCUHOM-VHSXEESVSA-N 0 0 221.304 2.394 10 0 BEAERN CC(C)n1nnnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000247223878 384791412 /nfs/dbraw/zinc/79/14/12/384791412.db2.gz CXYCNRLEVRUOHZ-NWDGAFQWSA-N 0 0 249.362 2.019 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000174560266 384808761 /nfs/dbraw/zinc/80/87/61/384808761.db2.gz RJZRADXPDAYRSV-SKDRFNHKSA-N 0 0 214.268 2.078 10 0 BEAERN COc1c(CO)ccc(F)c1C(F)(F)F ZINC000575707793 384809689 /nfs/dbraw/zinc/80/96/89/384809689.db2.gz IAUQJESZLNFCCB-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN C[C@@H]1OCC[C@H]1SC[C@@H](O)C(C)(C)C ZINC000308570757 384813228 /nfs/dbraw/zinc/81/32/28/384813228.db2.gz DYNBCEVSKLULKZ-IVZWLZJFSA-N 0 0 218.362 2.304 10 0 BEAERN Cc1ccnc(N[C@H](C)COCC(C)C)n1 ZINC000301295941 384871954 /nfs/dbraw/zinc/87/19/54/384871954.db2.gz XLVJVIJIQWHUIZ-LLVKDONJSA-N 0 0 223.320 2.258 10 0 BEAERN CC(=O)c1c(C)cc(N)cc1OC(F)F ZINC000575716566 384878122 /nfs/dbraw/zinc/87/81/22/384878122.db2.gz FVIMFFHWPXSJGB-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CCS[C@H]1CC[C@@]1(O)CNc1ccccn1 ZINC000301495518 384879971 /nfs/dbraw/zinc/87/99/71/384879971.db2.gz SRFCDNNRAYOGCQ-CMPLNLGQSA-N 0 0 238.356 2.140 10 0 BEAERN Cc1cnn([C@@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000105901230 384887753 /nfs/dbraw/zinc/88/77/53/384887753.db2.gz KNHBDFGIYLMQPJ-SNVBAGLBSA-N 0 0 247.264 2.391 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CC1CCCCC1 ZINC000336233874 384838967 /nfs/dbraw/zinc/83/89/67/384838967.db2.gz ULCMYIDJCLGMKN-YPMHNXCESA-N 0 0 239.359 2.329 10 0 BEAERN CC(C)c1cccc2c(OCC(N)=O)ccnc21 ZINC000072236881 384844534 /nfs/dbraw/zinc/84/45/34/384844534.db2.gz WNAPTEPQTHJRPY-UHFFFAOYSA-N 0 0 244.294 2.222 10 0 BEAERN N#CCc1cc(C(F)(F)F)cc(C#N)c1C=O ZINC000575646794 384846419 /nfs/dbraw/zinc/84/64/19/384846419.db2.gz KTUMEEQYIGYEBL-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(OC)c1C ZINC000575712249 384847183 /nfs/dbraw/zinc/84/71/83/384847183.db2.gz CFSLOIDNUNZCBJ-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN C[C@H](C[C@H]1CCCO1)Nc1cncc(Cl)n1 ZINC000301146227 384863916 /nfs/dbraw/zinc/86/39/16/384863916.db2.gz AWRMHGGIAYQGHW-RKDXNWHRSA-N 0 0 241.722 2.500 10 0 BEAERN Cc1cccc(NCCOCC(C)C)n1 ZINC000128500467 384953697 /nfs/dbraw/zinc/95/36/97/384953697.db2.gz KFBYHIOYMSZZKG-UHFFFAOYSA-N 0 0 208.305 2.475 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000149951237 384954911 /nfs/dbraw/zinc/95/49/11/384954911.db2.gz KABGXJVDHOATJI-ZJUUUORDSA-N 0 0 229.283 2.219 10 0 BEAERN COc1cc(N)c(C)c(OC(F)F)c1 ZINC000575722322 384898391 /nfs/dbraw/zinc/89/83/91/384898391.db2.gz AGYODIXRRVJNQW-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1cc(OC(F)F)cc(N)c1C ZINC000575723190 384901531 /nfs/dbraw/zinc/90/15/31/384901531.db2.gz LGBSRWBNVYMRPV-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCCc1nnc(NC[C@H](O)[C@H](C)CC)s1 ZINC000301676356 384907077 /nfs/dbraw/zinc/90/70/77/384907077.db2.gz QPFXWWATCDOGIX-BDAKNGLRSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1cc(N)c(C(F)(F)F)c(O)c1 ZINC000575724605 384907586 /nfs/dbraw/zinc/90/75/86/384907586.db2.gz LMRUQOFZUGIDQH-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCCc1nnc(NCC(C)(C)OC)s1 ZINC000301661161 384908269 /nfs/dbraw/zinc/90/82/69/384908269.db2.gz JYDSJAKGSXOQQX-UHFFFAOYSA-N 0 0 229.349 2.328 10 0 BEAERN CCOC(=O)c1c(N)c(OC)ccc1CC ZINC000575724238 384908261 /nfs/dbraw/zinc/90/82/61/384908261.db2.gz BJGYURXPTVTODF-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)Cc1cc(F)c(N)cc1CC ZINC000575724126 384908758 /nfs/dbraw/zinc/90/87/58/384908758.db2.gz VBCDCMRYUHQDBO-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN Cc1c(O)c(N)ccc1OC(F)(F)F ZINC000575729212 384918668 /nfs/dbraw/zinc/91/86/68/384918668.db2.gz XIHOPLKBQDFMPQ-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1ccc([C@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894838 384921307 /nfs/dbraw/zinc/92/13/07/384921307.db2.gz KXBKRVQAVHVPNE-CQSZACIVSA-N 0 0 216.328 2.104 10 0 BEAERN COc1ccc(C)c(OC(F)(F)F)c1N ZINC000575729984 384924681 /nfs/dbraw/zinc/92/46/81/384924681.db2.gz QBZPXYPJSHFSCP-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(C)c(OC(F)(F)F)c(CO)c1 ZINC000575730679 384929374 /nfs/dbraw/zinc/92/93/74/384929374.db2.gz ZXRBJQHMWOWLLH-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CC(C)c1nnc(N[C@H]2CCO[C@H]2C)s1 ZINC000301876138 384937177 /nfs/dbraw/zinc/93/71/77/384937177.db2.gz GTKWYEKJTNTLDR-YUMQZZPRSA-N 0 0 227.333 2.251 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nnc(C2CC2)s1 ZINC000301916545 384946534 /nfs/dbraw/zinc/94/65/34/384946534.db2.gz VUZVRGWZXXMKLH-SVRRBLITSA-N 0 0 225.317 2.005 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nccnc1OC(C)C ZINC000302220073 384972152 /nfs/dbraw/zinc/97/21/52/384972152.db2.gz LVFVBXHGYSUYCU-VHSXEESVSA-N 0 0 221.304 2.474 10 0 BEAERN CC[C@@H](C)[C@H](C)Nc1nccnc1N(C)C ZINC000302189311 384977013 /nfs/dbraw/zinc/97/70/13/384977013.db2.gz KDNKHUFKCDAEQN-ZJUUUORDSA-N 0 0 222.336 2.389 10 0 BEAERN C[C@@H]1C[C@H]1Nc1cc(N[C@H]2C[C@H]2C)ncn1 ZINC000302307274 384981333 /nfs/dbraw/zinc/98/13/33/384981333.db2.gz RQDYSMOMMVETHU-KYXWUPHJSA-N 0 0 218.304 2.117 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@H]2C)ncn1 ZINC000302307272 384982321 /nfs/dbraw/zinc/98/23/21/384982321.db2.gz RQDYSMOMMVETHU-IMSYWVGJSA-N 0 0 218.304 2.117 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000644580430 384988694 /nfs/dbraw/zinc/98/86/94/384988694.db2.gz KJBDFBVRMFWHDG-NDBYEHHHSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(C(=O)Nc2cccnc2)ccc1N ZINC000022147788 384994582 /nfs/dbraw/zinc/99/45/82/384994582.db2.gz DDCONVOEMNXHFW-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Nc1nccnc1-c1ccc(Cl)cc1 ZINC000034172209 384998996 /nfs/dbraw/zinc/99/89/96/384998996.db2.gz QUZHVRAJDAZQHS-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Cc1cc(C(=O)NC2CCC(C)(C)CC2)n(C)n1 ZINC000128166635 385004587 /nfs/dbraw/zinc/00/45/87/385004587.db2.gz AZNFIBCEDJNXPI-UHFFFAOYSA-N 0 0 249.358 2.427 10 0 BEAERN CC(C)(C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000060393102 385083747 /nfs/dbraw/zinc/08/37/47/385083747.db2.gz WSBUDAGVWJRKTE-UHFFFAOYSA-N 0 0 217.272 2.091 10 0 BEAERN Cc1nc(C)c(F)c(N2[C@H](C)C[C@@H]2C)n1 ZINC000336324493 385064293 /nfs/dbraw/zinc/06/42/93/385064293.db2.gz MSDCWKDCKJJLKH-KNVOCYPGSA-N 0 0 209.268 2.220 10 0 BEAERN C[C@H](NC(=O)[C@@]1(C)CCCO1)c1cccc(O)c1 ZINC000130423043 385032386 /nfs/dbraw/zinc/03/23/86/385032386.db2.gz MBDPTKHSLPOUSQ-IINYFYTJSA-N 0 0 249.310 2.139 10 0 BEAERN Cc1csc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c1 ZINC000296130831 385036621 /nfs/dbraw/zinc/03/66/21/385036621.db2.gz RDSLTXKWGFWHLE-VHSXEESVSA-N 0 0 239.340 2.042 10 0 BEAERN CCCc1c(CO)nnn1-c1ccccc1C ZINC000062244339 385108562 /nfs/dbraw/zinc/10/85/62/385108562.db2.gz OUWFCXTZZVIUJY-UHFFFAOYSA-N 0 0 231.299 2.021 10 0 BEAERN C[C@@H](CSC[C@H](O)CO)C1CCCCC1 ZINC000310549558 385110086 /nfs/dbraw/zinc/11/00/86/385110086.db2.gz FXWAXRWTXPZIRL-CMPLNLGQSA-N 0 0 232.389 2.289 10 0 BEAERN Cc1csc(NC(=O)[C@H]2CCCO[C@@H]2C)n1 ZINC000188970895 385111881 /nfs/dbraw/zinc/11/18/81/385111881.db2.gz RJYTZFLDOBOMSL-BDAKNGLRSA-N 0 0 240.328 2.205 10 0 BEAERN Cn1cc([C@H]2CCCN2c2ccccn2)cn1 ZINC000108946218 385119416 /nfs/dbraw/zinc/11/94/16/385119416.db2.gz IWIGJSVPNSSYHF-GFCCVEGCSA-N 0 0 228.299 2.157 10 0 BEAERN CCS(=O)(=O)c1cc2ccccc2o1 ZINC000165428135 385127912 /nfs/dbraw/zinc/12/79/12/385127912.db2.gz SYUHRMXLSJPKQD-UHFFFAOYSA-N 0 0 210.254 2.226 10 0 BEAERN CC[C@@H](C)CN(CC)Cc1nnnn1C(C)C ZINC000177854319 385129597 /nfs/dbraw/zinc/12/95/97/385129597.db2.gz PGLCGISWBHWWQM-LLVKDONJSA-N 0 0 239.367 2.122 10 0 BEAERN O=C(C=C([O-])c1ccccc1)N1CCCCC1 ZINC000032228804 385137146 /nfs/dbraw/zinc/13/71/46/385137146.db2.gz WYONJHQETBNPEB-UHFFFAOYSA-N 0 0 231.295 2.272 10 0 BEAERN COC(=O)/C=C\c1cnc2ccccc2c1 ZINC000032222028 385137644 /nfs/dbraw/zinc/13/76/44/385137644.db2.gz GVXTZYRMZZIIKT-SREVYHEPSA-N 0 0 213.236 2.421 10 0 BEAERN CCc1ccccc1C(=O)NC[C@H](O)C(C)(C)C ZINC000131426251 385086810 /nfs/dbraw/zinc/08/68/10/385086810.db2.gz NDELBZIOXVZELR-ZDUSSCGKSA-N 0 0 249.354 2.386 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N[C@H]1CCCC[C@H]1O ZINC000310503521 385098503 /nfs/dbraw/zinc/09/85/03/385098503.db2.gz RWDKUKYUICWMFD-WDEREUQCSA-N 0 0 241.375 2.478 10 0 BEAERN O=Cc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000072139827 385142709 /nfs/dbraw/zinc/14/27/09/385142709.db2.gz VQGMWWGNZNNIKZ-UHFFFAOYSA-N 0 0 242.065 2.387 10 0 BEAERN Cc1ccc(O)c(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000189795778 385185447 /nfs/dbraw/zinc/18/54/47/385185447.db2.gz MVHZRDAOHLCUHP-MNOVXSKESA-N 0 0 249.310 2.454 10 0 BEAERN O=C(c1ccccc1F)N1CCC[C@]12CCOC2 ZINC000310831637 385187053 /nfs/dbraw/zinc/18/70/53/385187053.db2.gz LWHAJBVCYFNDPX-CQSZACIVSA-N 0 0 249.285 2.221 10 0 BEAERN O=C(c1cc[nH]c1)N1CCOc2ccccc21 ZINC000109254418 385145059 /nfs/dbraw/zinc/14/50/59/385145059.db2.gz QWEXQUPBJXXPMF-UHFFFAOYSA-N 0 0 228.251 2.054 10 0 BEAERN COc1ccc([C@@H](C)C(=O)N2CCCCO2)cc1 ZINC000189584297 385164451 /nfs/dbraw/zinc/16/44/51/385164451.db2.gz LNIIJLYMHTWKSV-LLVKDONJSA-N 0 0 249.310 2.353 10 0 BEAERN c1ccc(CNc2ccnc(C3CC3)n2)nc1 ZINC000110111098 385210435 /nfs/dbraw/zinc/21/04/35/385210435.db2.gz RWRYCNWLLDZDIY-UHFFFAOYSA-N 0 0 226.283 2.361 10 0 BEAERN c1cncc(CNc2ccnc(C3CC3)n2)c1 ZINC000110111103 385212109 /nfs/dbraw/zinc/21/21/09/385212109.db2.gz ZPLGJUXQOIAGQK-UHFFFAOYSA-N 0 0 226.283 2.361 10 0 BEAERN COc1cc2c(cnn2C)cc1Br ZINC000217128920 385221657 /nfs/dbraw/zinc/22/16/57/385221657.db2.gz NFXLNUOVILGQOM-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1 ZINC000190223092 385222695 /nfs/dbraw/zinc/22/26/95/385222695.db2.gz RYBPFJQQMQTOPG-WCQYABFASA-N 0 0 233.311 2.118 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCc1ccccc1 ZINC000190229856 385223361 /nfs/dbraw/zinc/22/33/61/385223361.db2.gz PYLQAFXFUOKJBJ-JSGCOSHPSA-N 0 0 247.338 2.160 10 0 BEAERN O=C([O-])[C@H]1CCCCC[C@H]1[NH+]1CCCC1 ZINC000062749991 385227822 /nfs/dbraw/zinc/22/78/22/385227822.db2.gz NRPZXXWESCLWHS-WDEREUQCSA-N 0 0 211.305 2.116 10 0 BEAERN COC(=O)c1ccc(N[C@H](C)c2ccco2)nn1 ZINC000037527462 385229605 /nfs/dbraw/zinc/22/96/05/385229605.db2.gz LWPAJXHVRINDRU-MRVPVSSYSA-N 0 0 247.254 2.029 10 0 BEAERN CCCc1ccc(CSC[C@@H](O)CO)cc1 ZINC000177427401 385238811 /nfs/dbraw/zinc/23/88/11/385238811.db2.gz LMSDWBRHMVTZFQ-ZDUSSCGKSA-N 0 0 240.368 2.226 10 0 BEAERN Cc1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190477699 385242798 /nfs/dbraw/zinc/24/27/98/385242798.db2.gz JWMKIUKZWCRYSJ-OCCSQVGLSA-N 0 0 247.338 2.426 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000190477718 385243417 /nfs/dbraw/zinc/24/34/17/385243417.db2.gz JWMKIUKZWCRYSJ-GXTWGEPZSA-N 0 0 247.338 2.426 10 0 BEAERN Cn1cc([C@@H]2CCCN2c2cccc(F)n2)cn1 ZINC000108946064 385248230 /nfs/dbraw/zinc/24/82/30/385248230.db2.gz QVZVJTIVXSVIHE-NSHDSACASA-N 0 0 246.289 2.296 10 0 BEAERN CN(C[C@H]1CCCOC1)c1ccnc(C2CC2)n1 ZINC000110587151 385249703 /nfs/dbraw/zinc/24/97/03/385249703.db2.gz DMQFEZMFASYLFN-LLVKDONJSA-N 0 0 247.342 2.217 10 0 BEAERN Cc1nnc(NC(C)(C)C)n1CC(C)C ZINC000308896530 385249744 /nfs/dbraw/zinc/24/97/44/385249744.db2.gz ZPAWAKABUWEIBR-UHFFFAOYSA-N 0 0 210.325 2.453 10 0 BEAERN [NH3+]Cc1ccc(-c2ccncc2)cc1F ZINC000040231754 385312140 /nfs/dbraw/zinc/31/21/40/385312140.db2.gz NSOGEMFEMUCWJY-UHFFFAOYSA-N 0 0 202.232 2.346 10 0 BEAERN CSCCc1nc(CC(C)C)no1 ZINC000109560561 385320376 /nfs/dbraw/zinc/32/03/76/385320376.db2.gz STDLUBWDMZRNAL-UHFFFAOYSA-N 0 0 200.307 2.174 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@@H](C)[C@H](C)C2)n1 ZINC000336401185 385259435 /nfs/dbraw/zinc/25/94/35/385259435.db2.gz QJEPSIDVHUAUOQ-HTQZYQBOSA-N 0 0 223.295 2.325 10 0 BEAERN C[N@H+](C1CCCC1)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062751333 385259489 /nfs/dbraw/zinc/25/94/89/385259489.db2.gz RKPWSNFVXQVJNK-WDEREUQCSA-N 0 0 211.305 2.114 10 0 BEAERN CCc1ccccc1C(=O)N[C@H]1C[C@@H]1C ZINC000153585029 385263092 /nfs/dbraw/zinc/26/30/92/385263092.db2.gz IGRMGTYLVXBKQZ-CABZTGNLSA-N 0 0 203.285 2.387 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@@H]2CC[C@H](C)C2)c1 ZINC000130584652 385264994 /nfs/dbraw/zinc/26/49/94/385264994.db2.gz CNYKMLUQOGZBRH-WCQYABFASA-N 0 0 249.358 2.134 10 0 BEAERN O=C(c1ccoc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127600452 385267409 /nfs/dbraw/zinc/26/74/09/385267409.db2.gz JLVMWVTYYZORRM-OCCSQVGLSA-N 0 0 249.310 2.047 10 0 BEAERN CCOC(=O)c1nnc2c(C)ccc(C)c2c1O ZINC000575601297 385267433 /nfs/dbraw/zinc/26/74/33/385267433.db2.gz XBGPDJAAXKDBQJ-UHFFFAOYSA-N 0 0 246.266 2.129 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000034185130 385272108 /nfs/dbraw/zinc/27/21/08/385272108.db2.gz JKZVLLJDWQAVJW-KBPBESRZSA-N 0 0 247.338 2.276 10 0 BEAERN Cc1ccnc(S(=O)(=O)c2ccccc2)c1 ZINC000033979081 385273350 /nfs/dbraw/zinc/27/33/50/385273350.db2.gz QAOSKLAIJDUUGK-UHFFFAOYSA-N 0 0 233.292 2.223 10 0 BEAERN CCc1cc(O)ccc1NC(=O)[C@H](C)COC ZINC000191067802 385281616 /nfs/dbraw/zinc/28/16/16/385281616.db2.gz PLCDVXJIIMGENE-SECBINFHSA-N 0 0 237.299 2.176 10 0 BEAERN O=C([O-])Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000011801074 385294356 /nfs/dbraw/zinc/29/43/56/385294356.db2.gz HFBWKFQEQYIYJM-UHFFFAOYSA-N 0 0 233.311 2.300 10 0 BEAERN Cc1cnc([C@H](C)N[C@H]2COC(C)(C)C2)o1 ZINC000335353263 385296453 /nfs/dbraw/zinc/29/64/53/385296453.db2.gz CLOVLMKAZYNAIX-VHSXEESVSA-N 0 0 224.304 2.201 10 0 BEAERN CC[C@@H](C)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000191865205 385328812 /nfs/dbraw/zinc/32/88/12/385328812.db2.gz POQZMGNXGOMPNN-VXGBXAGGSA-N 0 0 249.358 2.172 10 0 BEAERN Nc1ccc(N2C[C@H]3CCC(F)(F)[C@@H]3C2)nc1 ZINC000409431036 385330538 /nfs/dbraw/zinc/33/05/38/385330538.db2.gz RLWVTZQHEXJTRE-PSASIEDQSA-N 0 0 239.269 2.145 10 0 BEAERN C[C@@H](NC(=O)C1CCCC1)c1ccon1 ZINC000408057599 385331938 /nfs/dbraw/zinc/33/19/38/385331938.db2.gz WWKXJLBIQWMTPS-MRVPVSSYSA-N 0 0 208.261 2.042 10 0 BEAERN Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)O)[C@H](C)C2 ZINC000191887734 385332843 /nfs/dbraw/zinc/33/28/43/385332843.db2.gz ZRVXYDXIRBWKRL-MFKMUULPSA-N 0 0 247.338 2.115 10 0 BEAERN Cc1cnn([C@@H]2CCCN(Cc3cocn3)C2)c1 ZINC000191941872 385335378 /nfs/dbraw/zinc/33/53/78/385335378.db2.gz LNUSFVXMMGDRRB-CYBMUJFWSA-N 0 0 246.314 2.017 10 0 BEAERN CC[C@@H](COC)Nc1nc(C)ccc1OC ZINC000131509840 385339216 /nfs/dbraw/zinc/33/92/16/385339216.db2.gz UURJDSFWTTWYCQ-JTQLQIEISA-N 0 0 224.304 2.236 10 0 BEAERN CC[C@H]1CCN(C(=O)c2cccc(OC)c2O)C1 ZINC000131537146 385342579 /nfs/dbraw/zinc/34/25/79/385342579.db2.gz QJNRLYWLDNDBJR-JTQLQIEISA-N 0 0 249.310 2.273 10 0 BEAERN Cc1noc(C)c1CC(=O)NCCC1=CCCC1 ZINC000131627828 385350108 /nfs/dbraw/zinc/35/01/08/385350108.db2.gz NPIYWIZSLQACFV-UHFFFAOYSA-N 0 0 248.326 2.451 10 0 BEAERN Cc1ccc(NC(=O)C[C@@H](O)C(C)C)c(C)n1 ZINC000178971899 385353011 /nfs/dbraw/zinc/35/30/11/385353011.db2.gz QGEDEUMVFSBLOP-GFCCVEGCSA-N 0 0 236.315 2.044 10 0 BEAERN COC[C@@H](C)C(=O)N1CCOc2cc(C)ccc21 ZINC000154811859 385358163 /nfs/dbraw/zinc/35/81/63/385358163.db2.gz UTZPHASDXSFWNX-LLVKDONJSA-N 0 0 249.310 2.003 10 0 BEAERN CCCCN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000131837194 385365874 /nfs/dbraw/zinc/36/58/74/385365874.db2.gz KKVHKMWDWRMYGK-SNVBAGLBSA-N 0 0 235.331 2.088 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)cc(F)c1N ZINC000280869582 385382620 /nfs/dbraw/zinc/38/26/20/385382620.db2.gz FABWKSPGVQMJOS-ANLVUFKYSA-N 0 0 242.681 2.200 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(OC)ccc1F ZINC000154437333 385327735 /nfs/dbraw/zinc/32/77/35/385327735.db2.gz MQHQLGLRZJOUJY-MRVPVSSYSA-N 0 0 241.262 2.055 10 0 BEAERN COc1ccccc1Cc1cc(=O)[nH]c(C)n1 ZINC000409430933 385328317 /nfs/dbraw/zinc/32/83/17/385328317.db2.gz OGLXKNNNKVYHKX-UHFFFAOYSA-N 0 0 230.267 2.090 10 0 BEAERN CC[C@H](O)Cc1nc(Cc2cccc(C)c2)no1 ZINC000109491493 385424596 /nfs/dbraw/zinc/42/45/96/385424596.db2.gz IYSYEUFRQOBGHZ-LBPRGKRZSA-N 0 0 246.310 2.282 10 0 BEAERN Cc1occc1CN(C)C(=O)N[C@H]1C[C@H]1C ZINC000170882853 385453759 /nfs/dbraw/zinc/45/37/59/385453759.db2.gz CDKWJYKWCVCQKS-KCJUWKMLSA-N 0 0 222.288 2.138 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1OC(F)F ZINC000171056774 385466144 /nfs/dbraw/zinc/46/61/44/385466144.db2.gz HJGVJNOJYXGJSB-APPZFPTMSA-N 0 0 241.237 2.426 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1F ZINC000171066863 385466377 /nfs/dbraw/zinc/46/63/77/385466377.db2.gz CHMUCMLWWDMUAG-LDWIPMOCSA-N 0 0 211.211 2.103 10 0 BEAERN CCC1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC000179452245 385467182 /nfs/dbraw/zinc/46/71/82/385467182.db2.gz ZMDIAMIANJEUDF-UHFFFAOYSA-N 0 0 235.331 2.119 10 0 BEAERN OCc1nc(Cl)ccc1C(F)(F)F ZINC000156750183 385467576 /nfs/dbraw/zinc/46/75/76/385467576.db2.gz DBRZAPYZGMHNLR-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN COC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000171777584 385517352 /nfs/dbraw/zinc/51/73/52/385517352.db2.gz PVIPOQQHPAZMJN-SECBINFHSA-N 0 0 218.256 2.487 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@H]3C[C@H]3C)cc2n1 ZINC000171506501 385491533 /nfs/dbraw/zinc/49/15/33/385491533.db2.gz FAYIADATXLSNMN-APPZFPTMSA-N 0 0 230.267 2.274 10 0 BEAERN C[C@@H](NC(=O)Nc1ccsc1)[C@@H]1CCCO1 ZINC000157246532 385493624 /nfs/dbraw/zinc/49/36/24/385493624.db2.gz BHEOLDQKCSXLNV-SCZZXKLOSA-N 0 0 240.328 2.437 10 0 BEAERN Cc1nc(Cl)cc(N[C@H]2CCCC[C@H]2O)n1 ZINC000052837553 385498305 /nfs/dbraw/zinc/49/83/05/385498305.db2.gz KSDSPOGSXJTARS-DTWKUNHWSA-N 0 0 241.722 2.154 10 0 BEAERN Cc1nc(Cl)cc(N(C)C2CCOCC2)n1 ZINC000052836314 385498497 /nfs/dbraw/zinc/49/84/97/385498497.db2.gz YLSGPOAGFFOKQL-UHFFFAOYSA-N 0 0 241.722 2.054 10 0 BEAERN CC(C)(C)C(=O)C=C(O)[Si](C)(C)C ZINC000196143110 385504985 /nfs/dbraw/zinc/50/49/85/385504985.db2.gz XRIZYGXJDWDRKF-UHFFFAOYSA-N 0 0 200.354 2.438 10 0 BEAERN C[C@H]1OCc2cc3c(cc2O1)CO[C@H](C)O3 ZINC000196164838 385505038 /nfs/dbraw/zinc/50/50/38/385505038.db2.gz WZTOSZUYUYAGHA-YUMQZZPRSA-N 0 0 222.240 2.197 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180266116 385517278 /nfs/dbraw/zinc/51/72/78/385517278.db2.gz ODYUMDWRBXUALD-SKDRFNHKSA-N 0 0 245.326 2.209 10 0 BEAERN O=C(c1cccs1)N1CCC[C@]12CCOC2 ZINC000309338278 385538304 /nfs/dbraw/zinc/53/83/04/385538304.db2.gz KNRYNYHUJQLJPL-GFCCVEGCSA-N 0 0 237.324 2.143 10 0 BEAERN Cc1cnc(CN2[C@H](C)COC[C@@H]2C)s1 ZINC000180506952 385525683 /nfs/dbraw/zinc/52/56/83/385525683.db2.gz ABSWWVDGFOGXCO-DTORHVGOSA-N 0 0 226.345 2.061 10 0 BEAERN CC[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000181121015 385563953 /nfs/dbraw/zinc/56/39/53/385563953.db2.gz QHYKKHNLSHPDDE-ZJUUUORDSA-N 0 0 226.345 2.315 10 0 BEAERN CCOC(=O)Cc1c(C)cc(OC)cc1OC ZINC000259537919 385568848 /nfs/dbraw/zinc/56/88/48/385568848.db2.gz WVAPWGXVIVXTMG-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN CO[C@H](C)Cn1c2ccccc2nc1[C@H](C)O ZINC000181497236 385581363 /nfs/dbraw/zinc/58/13/63/385581363.db2.gz UUAPJAPYVSOKGP-ZJUUUORDSA-N 0 0 234.299 2.125 10 0 BEAERN COC(=O)Cc1c(C)ccc(C)c1OC ZINC000259951579 385615898 /nfs/dbraw/zinc/61/58/98/385615898.db2.gz CEEGENSEIQMSHK-UHFFFAOYSA-N 0 0 208.257 2.028 10 0 BEAERN CC(C)CCCNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000337343152 385610433 /nfs/dbraw/zinc/61/04/33/385610433.db2.gz XEZULBWESKOTAD-VXGBXAGGSA-N 0 0 242.363 2.289 10 0 BEAERN COC(=O)CCCC(=O)c1cccc(F)c1F ZINC000259733594 385641095 /nfs/dbraw/zinc/64/10/95/385641095.db2.gz OWJYGHPQCQZVKR-UHFFFAOYSA-N 0 0 242.221 2.491 10 0 BEAERN COC(=O)c1c(F)ccc(O)c1Br ZINC000260012611 385648348 /nfs/dbraw/zinc/64/83/48/385648348.db2.gz INJSVYJQRLGVAX-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN Cc1ccc([C@@H](C)NCc2c[nH]cn2)o1 ZINC000054764366 385657052 /nfs/dbraw/zinc/65/70/52/385657052.db2.gz BGZHEKDNHRRAEO-SECBINFHSA-N 0 0 205.261 2.162 10 0 BEAERN Nc1cc(-c2cc[nH]n2)ccc1N1CCCC1 ZINC000253561323 385682362 /nfs/dbraw/zinc/68/23/62/385682362.db2.gz BZPWQRHWOHJKHP-UHFFFAOYSA-N 0 0 228.299 2.259 10 0 BEAERN CCON1C=Nc2sc(=S)[nH]c2C1 ZINC000211800962 385694008 /nfs/dbraw/zinc/69/40/08/385694008.db2.gz HIUBVIKFLMCEGG-UHFFFAOYSA-N 0 0 215.303 2.233 10 0 BEAERN CC(C)=CCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182677169 385695346 /nfs/dbraw/zinc/69/53/46/385695346.db2.gz SXBFQBRPDLSKMK-LLVKDONJSA-N 0 0 220.320 2.298 10 0 BEAERN Cc1cnc(NC[C@H]2CCC[C@H]2O)s1 ZINC000307247176 385669892 /nfs/dbraw/zinc/66/98/92/385669892.db2.gz ZNAFUFZCQKCQJV-RKDXNWHRSA-N 0 0 212.318 2.024 10 0 BEAERN Nc1ccc(-c2c[nH]cn2)cc1Br ZINC000207003549 385670859 /nfs/dbraw/zinc/67/08/59/385670859.db2.gz AEGVOQFUXQTYPT-UHFFFAOYSA-N 0 0 238.088 2.421 10 0 BEAERN CN(CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000122800042 385777451 /nfs/dbraw/zinc/77/74/51/385777451.db2.gz FLWJBOAJUSZKKN-SNVBAGLBSA-N 0 0 221.291 2.125 10 0 BEAERN Cc1cc(C)c2[nH]cc3c(=O)n(C)nc-3c2c1 ZINC000040174237 385778326 /nfs/dbraw/zinc/77/83/26/385778326.db2.gz JAYDXLOMIUKTIN-UHFFFAOYSA-N 0 0 227.267 2.032 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(Br)o1 ZINC000052293003 385721904 /nfs/dbraw/zinc/72/19/04/385721904.db2.gz PSZNALWWUSBGFM-PHDIDXHHSA-N 0 0 244.088 2.180 10 0 BEAERN Cc1cocc1[C@@H](N)c1csc(C)n1 ZINC000306812368 385804639 /nfs/dbraw/zinc/80/46/39/385804639.db2.gz ZAOZMAXKSUCPTG-SNVBAGLBSA-N 0 0 208.286 2.401 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)Cc1ccccc1O ZINC000231694858 385814648 /nfs/dbraw/zinc/81/46/48/385814648.db2.gz PTNCPRVFQGBQKB-PWSUYJOCSA-N 0 0 233.311 2.240 10 0 BEAERN COC(=O)c1cc(Cl)c(Cl)cn1 ZINC000214935036 385832914 /nfs/dbraw/zinc/83/29/14/385832914.db2.gz WVBZQZGENXXGJI-UHFFFAOYSA-N 0 0 206.028 2.175 10 0 BEAERN CC[C@H](CC(=O)NCC1(C)COC1)C(C)C ZINC000112619346 385848990 /nfs/dbraw/zinc/84/89/90/385848990.db2.gz MWQXMLUETFXRQP-LLVKDONJSA-N 0 0 227.348 2.211 10 0 BEAERN CCCCNC(=O)N(C)[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215730752 385850233 /nfs/dbraw/zinc/85/02/33/385850233.db2.gz FXSHPYPGPUDCLF-TUAOUCFPSA-N 0 0 222.332 2.393 10 0 BEAERN Cc1ccc(NCC2OCCO2)cc1Cl ZINC000307318242 385852665 /nfs/dbraw/zinc/85/26/65/385852665.db2.gz MAEIIELNLZAPQS-UHFFFAOYSA-N 0 0 227.691 2.433 10 0 BEAERN OC[C@@H](O)CSCC/C=C/c1ccccc1 ZINC000323556181 385885226 /nfs/dbraw/zinc/88/52/26/385885226.db2.gz HNJFTRORJVYNDU-FLUIGGAXSA-N 0 0 238.352 2.176 10 0 BEAERN C[C@H]1CC[C@@H](Nc2cnns2)CS1 ZINC000575534994 385902631 /nfs/dbraw/zinc/90/26/31/385902631.db2.gz NTNVNYKBDXHJQD-NKWVEPMBSA-N 0 0 215.347 2.234 10 0 BEAERN CC1(NC2N=NC(=S)S2)CCC1 ZINC000228892487 385904445 /nfs/dbraw/zinc/90/44/45/385904445.db2.gz PWDNZQHBYGRVFE-UHFFFAOYSA-N 0 0 201.320 2.181 10 0 BEAERN CCN(C(=O)NCC1(C)COC1)[C@H](C)C(C)C ZINC000112753601 385909274 /nfs/dbraw/zinc/90/92/74/385909274.db2.gz WJTMJCYFDAHGKT-LLVKDONJSA-N 0 0 242.363 2.099 10 0 BEAERN Cc1cc2c(N[C@@H]3CCC[C@H]4C[C@H]43)nccn2n1 ZINC000645383114 385920597 /nfs/dbraw/zinc/92/05/97/385920597.db2.gz MMFUGVZMIRNHOD-QJPTWQEYSA-N 0 0 242.326 2.060 10 0 BEAERN CCOC(=O)Cc1cc(F)c(F)c(OC)c1F ZINC000260459532 385864250 /nfs/dbraw/zinc/86/42/50/385864250.db2.gz XPQGVXFWQKVSDZ-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nnc(-c2ccccn2)s1 ZINC000273571350 385865725 /nfs/dbraw/zinc/86/57/25/385865725.db2.gz DFWOMLQVSFBSJL-APPZFPTMSA-N 0 0 232.312 2.420 10 0 BEAERN CCCc1noc(C[C@@H](C)SC)n1 ZINC000308331285 385870567 /nfs/dbraw/zinc/87/05/67/385870567.db2.gz IVYSZYKTMVMEQN-SSDOTTSWSA-N 0 0 200.307 2.316 10 0 BEAERN C[C@@H](CO)N(C)Cc1nc(Cl)ccc1Cl ZINC000124054604 385979445 /nfs/dbraw/zinc/97/94/45/385979445.db2.gz FBFIXLURZNWFGM-ZETCQYMHSA-N 0 0 249.141 2.201 10 0 BEAERN Cc1cc(OCC(F)(F)F)nc(Cl)n1 ZINC000052813848 385991321 /nfs/dbraw/zinc/99/13/21/385991321.db2.gz GGGRMKKJPBDWKP-UHFFFAOYSA-N 0 0 226.585 2.380 10 0 BEAERN CCOC(=O)[C@]1(O)CCCC12CCCC2 ZINC000260730372 385944557 /nfs/dbraw/zinc/94/45/57/385944557.db2.gz DUSBJLALVPCJAT-GFCCVEGCSA-N 0 0 212.289 2.025 10 0 BEAERN Cc1ccc(=O)n([C@@H]2CCC(C)(C)C2)n1 ZINC000335054549 385954746 /nfs/dbraw/zinc/95/47/46/385954746.db2.gz BKOKWNZRFUQZAV-SNVBAGLBSA-N 0 0 206.289 2.303 10 0 BEAERN CC(C)c1c[nH]c(=NC[C@H]2CCC[C@H]2O)s1 ZINC000336747374 385972096 /nfs/dbraw/zinc/97/20/96/385972096.db2.gz RXLDPEXKQZNGBT-NXEZZACHSA-N 0 0 240.372 2.261 10 0 BEAERN CCOC(=O)CC[C@@H](F)C(F)(F)F ZINC000261158173 386010528 /nfs/dbraw/zinc/01/05/28/386010528.db2.gz VDMQKVJYSCKAMJ-RXMQYKEDSA-N 0 0 202.147 2.230 10 0 BEAERN CCCc1nsc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000309454827 386013613 /nfs/dbraw/zinc/01/36/13/386013613.db2.gz MBIAZWYNRCCHSI-RKDXNWHRSA-N 0 0 241.360 2.206 10 0 BEAERN CCOC(=O)c1cc(O)c(Cl)cc1OC ZINC000261265800 386016954 /nfs/dbraw/zinc/01/69/54/386016954.db2.gz HMFPVHULWDBIOS-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN COc1cccc(C(=O)N2C[C@H]3CCC[C@H]32)c1O ZINC000334435860 386057865 /nfs/dbraw/zinc/05/78/65/386057865.db2.gz ZPKHGJLEIBZAPG-MWLCHTKSSA-N 0 0 247.294 2.025 10 0 BEAERN CC(C)c1nccnc1NCc1ccco1 ZINC000336729327 386108083 /nfs/dbraw/zinc/10/80/83/386108083.db2.gz DAGZFRWIQUKBLW-UHFFFAOYSA-N 0 0 217.272 2.227 10 0 BEAERN CCCc1noc([C@H](C)CSC)n1 ZINC000308402698 386060890 /nfs/dbraw/zinc/06/08/90/386060890.db2.gz HVLASWSAZNKDBQ-SSDOTTSWSA-N 0 0 200.307 2.489 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccc(Br)cn1 ZINC000307726742 386122019 /nfs/dbraw/zinc/12/20/19/386122019.db2.gz CMVCKNRHWAZAFR-NKWVEPMBSA-N 0 0 245.120 2.025 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H](C)C(C)C)n1 ZINC000336772867 386088001 /nfs/dbraw/zinc/08/80/01/386088001.db2.gz YKXDIBAVBDUWTO-SSDOTTSWSA-N 0 0 211.284 2.111 10 0 BEAERN C[C@@H](CO)[C@H](C)Nc1ccncc1Cl ZINC000129612179 386093563 /nfs/dbraw/zinc/09/35/63/386093563.db2.gz HHCDLYCCAYLMRC-YUMQZZPRSA-N 0 0 214.696 2.164 10 0 BEAERN Cc1ncsc1[C@](C)(N)C(F)(F)F ZINC000575571703 386145138 /nfs/dbraw/zinc/14/51/38/386145138.db2.gz OCTJRLGCVGBGNC-LURJTMIESA-N 0 0 210.224 2.188 10 0 BEAERN Cc1ccc(CNc2ccc(N)cn2)o1 ZINC000053035840 386171238 /nfs/dbraw/zinc/17/12/38/386171238.db2.gz STSUUSFGWANPPA-UHFFFAOYSA-N 0 0 203.245 2.177 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@H](C)[C@H]1C ZINC000307182233 386131857 /nfs/dbraw/zinc/13/18/57/386131857.db2.gz NSOZMPRKEKNHTF-LKEWCRSYSA-N 0 0 201.697 2.290 10 0 BEAERN CCC1CCC(N2C(=O)[C@@H](C)N(C)C2=O)CC1 ZINC000334472021 386143167 /nfs/dbraw/zinc/14/31/67/386143167.db2.gz HLYHDAASJKXWII-KPPDAEKUSA-N 0 0 238.331 2.238 10 0 BEAERN Cn1ccnc1CN1CCCNc2ccccc21 ZINC000131326530 386216378 /nfs/dbraw/zinc/21/63/78/386216378.db2.gz ZLIOTNZEGSPJBL-UHFFFAOYSA-N 0 0 242.326 2.242 10 0 BEAERN Cc1nc(N[C@@H](C)CF)ncc1Br ZINC000575579125 386219280 /nfs/dbraw/zinc/21/92/80/386219280.db2.gz JSGSTMQKEQWUDR-YFKPBYRVSA-N 0 0 248.099 2.317 10 0 BEAERN O=C(c1c(F)cccc1Cl)N1CCCO1 ZINC000125371895 386241173 /nfs/dbraw/zinc/24/11/73/386241173.db2.gz QELFOVUWIHLJSJ-UHFFFAOYSA-N 0 0 229.638 2.257 10 0 BEAERN CC1(C)C[C@]1(C)c1onc(N)c1Cl ZINC000575581929 386241347 /nfs/dbraw/zinc/24/13/47/386241347.db2.gz ALTKQGVXQODLGW-SECBINFHSA-N 0 0 200.669 2.428 10 0 BEAERN C[C@H](CF)Nc1ncc(N)cc1Br ZINC000575582503 386255311 /nfs/dbraw/zinc/25/53/11/386255311.db2.gz GCAPAQTXMYKSLU-RXMQYKEDSA-N 0 0 248.099 2.196 10 0 BEAERN CCNC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000048645333 386292267 /nfs/dbraw/zinc/29/22/67/386292267.db2.gz RZVXEIQYFKAXOM-UHFFFAOYSA-N 0 0 243.310 2.256 10 0 BEAERN CS[C@@H]1CC[C@@H]1n1cc[nH]c1=S ZINC000575592771 386355600 /nfs/dbraw/zinc/35/56/00/386355600.db2.gz KONHIGHSTDRBMP-NKWVEPMBSA-N 0 0 200.332 2.238 10 0 BEAERN C[C@H]1COC[C@@H]1c1nnc(Br)s1 ZINC000575596960 386384468 /nfs/dbraw/zinc/38/44/68/386384468.db2.gz GVJYDGYMZGHDMN-WHFBIAKZSA-N 0 0 249.133 2.051 10 0 BEAERN CN1CCC[C@H]1c1nsc(Br)n1 ZINC000575597935 386384754 /nfs/dbraw/zinc/38/47/54/386384754.db2.gz OBYLVCSMYBHOCJ-YFKPBYRVSA-N 0 0 248.149 2.067 10 0 BEAERN COCO[C@H](C)c1cc(F)ccc1C=O ZINC000521399862 386437892 /nfs/dbraw/zinc/43/78/92/386437892.db2.gz VKXGPVSMWPMHBF-MRVPVSSYSA-N 0 0 212.220 2.320 10 0 BEAERN O[C@@H](Cc1nccs1)C1CC(F)(F)C1 ZINC000307235796 386448956 /nfs/dbraw/zinc/44/89/56/386448956.db2.gz FTASPDNWOIOCRX-ZETCQYMHSA-N 0 0 219.256 2.092 10 0 BEAERN CC(C)c1cc2c(c(Cl)n1)C(=O)O[C@@H]2O ZINC000575601857 386414065 /nfs/dbraw/zinc/41/40/65/386414065.db2.gz OFSDRTFLISRVQK-VIFPVBQESA-N 0 0 227.647 2.020 10 0 BEAERN CCC[C@H]1COc2c(Br)cnn2C1 ZINC000575602046 386415227 /nfs/dbraw/zinc/41/52/27/386415227.db2.gz HSTRCYUWTXVOGD-SSDOTTSWSA-N 0 0 245.120 2.454 10 0 BEAERN CN=[S@](C)(=O)c1cccc(Cl)c1 ZINC000521399415 386429691 /nfs/dbraw/zinc/42/96/91/386429691.db2.gz NPHZXNJRWFJLJY-GFCCVEGCSA-N 0 0 203.694 2.427 10 0 BEAERN Clc1ccc(Nc2ccccn2)nn1 ZINC000238510775 386490837 /nfs/dbraw/zinc/49/08/37/386490837.db2.gz SVIHZDJMZLZYCG-UHFFFAOYSA-N 0 0 206.636 2.269 10 0 BEAERN CC(C)(C)OC(=O)c1noc2ccc(N)cc21 ZINC000299890023 386498307 /nfs/dbraw/zinc/49/83/07/386498307.db2.gz SLFOAXNZEQDCQN-UHFFFAOYSA-N 0 0 234.255 2.365 10 0 BEAERN COc1c(Cl)c(Cl)ccc1C(N)=O ZINC000299889065 386498497 /nfs/dbraw/zinc/49/84/97/386498497.db2.gz CYMIFXYDJIJWPX-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@@H]3CCC[C@H]32)n1 ZINC000335443800 386506020 /nfs/dbraw/zinc/50/60/20/386506020.db2.gz CBLSEIDWCRNRQO-VHSXEESVSA-N 0 0 221.279 2.221 10 0 BEAERN Cn1cc(Oc2c(F)c(F)nc(F)c2F)cn1 ZINC000227939920 386523379 /nfs/dbraw/zinc/52/33/79/386523379.db2.gz HPGFREHRQICRDI-UHFFFAOYSA-N 0 0 247.151 2.164 10 0 BEAERN Cc1nc(=N[C@H](C)c2csc(C)n2)s[n-]1 ZINC000336754919 386525974 /nfs/dbraw/zinc/52/59/74/386525974.db2.gz IQSFKRSDOKXTPV-RXMQYKEDSA-N 0 0 240.357 2.206 10 0 BEAERN Cc1cnn(CCNc2nc3ccccc3[nH]2)c1 ZINC000134957751 386454103 /nfs/dbraw/zinc/45/41/03/386454103.db2.gz OMRFGYGBULGRGP-UHFFFAOYSA-N 0 0 241.298 2.180 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C(C)(C)C(C)(C)C ZINC000399214453 386457880 /nfs/dbraw/zinc/45/78/80/386457880.db2.gz SPDBELHMWIIBCI-WDEREUQCSA-N 0 0 241.375 2.431 10 0 BEAERN C[C@@H](CC(=O)[O-])C[C@H]([NH3+])C1CCCCC1 ZINC000521401447 386458755 /nfs/dbraw/zinc/45/87/55/386458755.db2.gz HQBYJHOLQQFRCL-KOLCDFICSA-N 0 0 213.321 2.395 10 0 BEAERN CCOc1c(C#N)c(C=O)ccc1CC ZINC000575642390 386577771 /nfs/dbraw/zinc/57/77/71/386577771.db2.gz APPSVJINPHNFPZ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CC(C)n1ncc(Br)c1F ZINC000238856021 386536300 /nfs/dbraw/zinc/53/63/00/386536300.db2.gz UQEMYOLNQSQAIZ-UHFFFAOYSA-N 0 0 207.046 2.366 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1COc2cccnc21 ZINC000238854060 386537465 /nfs/dbraw/zinc/53/74/65/386537465.db2.gz MMMKQDVFOHNLQU-QMMMGPOBSA-N 0 0 236.271 2.040 10 0 BEAERN Cc1cc([N+](=O)[O-])c(N)cc1OC(F)(F)F ZINC000575638422 386553215 /nfs/dbraw/zinc/55/32/15/386553215.db2.gz SXJNSKLXVUORPE-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1c(N)ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575638083 386555233 /nfs/dbraw/zinc/55/52/33/386555233.db2.gz OBWUEAGKACQRME-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCc1cc(C(F)F)cc(C(N)=O)c1C#N ZINC000575640250 386565620 /nfs/dbraw/zinc/56/56/20/386565620.db2.gz FOCWQQMNOQAQOI-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CC(C)C(C)(C)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000187645757 386566601 /nfs/dbraw/zinc/56/66/01/386566601.db2.gz XXQNSYVSHNZFEK-QWRGUYRKSA-N 0 0 227.348 2.352 10 0 BEAERN N#Cc1ccc(F)c(OC(F)F)c1C=O ZINC000575640643 386570839 /nfs/dbraw/zinc/57/08/39/386570839.db2.gz PLRDMELEPLRIRZ-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1N ZINC000119748358 386640842 /nfs/dbraw/zinc/64/08/42/386640842.db2.gz LQMAZXCNLOFIJL-SKDRFNHKSA-N 0 0 218.300 2.187 10 0 BEAERN Cc1cc(C(=O)c2cnccc2C)sn1 ZINC000307415913 386645890 /nfs/dbraw/zinc/64/58/90/386645890.db2.gz NERDNUUBZZXNET-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN Brc1ncccc1N[C@@H]1CCOC1 ZINC000232461664 386646152 /nfs/dbraw/zinc/64/61/52/386646152.db2.gz YMUQPBWLBYGRGI-SSDOTTSWSA-N 0 0 243.104 2.045 10 0 BEAERN O=C(c1ncc[nH]1)c1ccsc1Cl ZINC000307419358 386647312 /nfs/dbraw/zinc/64/73/12/386647312.db2.gz HMYYTPALBCOXFG-UHFFFAOYSA-N 0 0 212.661 2.356 10 0 BEAERN Cc1cc(Br)cc2c1CCNC2=O ZINC000307427935 386650367 /nfs/dbraw/zinc/65/03/67/386650367.db2.gz HJBLBMPEZZDWHA-UHFFFAOYSA-N 0 0 240.100 2.043 10 0 BEAERN C[C@@H]1C[C@@H](NC(=O)C(C)(C)Br)[C@@H]1C ZINC000307397820 386608355 /nfs/dbraw/zinc/60/83/55/386608355.db2.gz RSNKODLVPFLLOX-BWZBUEFSSA-N 0 0 248.164 2.321 10 0 BEAERN CC(C)OCC(C)(C)Nc1ncc(F)cn1 ZINC000396377714 386732908 /nfs/dbraw/zinc/73/29/08/386732908.db2.gz PBTHTHRYMVDBMQ-UHFFFAOYSA-N 0 0 227.283 2.231 10 0 BEAERN COc1cc(C)c(C(=O)COC(C)=O)cc1C ZINC000575358144 386733811 /nfs/dbraw/zinc/73/38/11/386733811.db2.gz LSICIIVRDQTFCJ-UHFFFAOYSA-N 0 0 236.267 2.058 10 0 BEAERN COc1ccccc1C(=O)C(C)(C)OC(C)=O ZINC000575358550 386737813 /nfs/dbraw/zinc/73/78/13/386737813.db2.gz QUGAXFRGTOJUGB-UHFFFAOYSA-N 0 0 236.267 2.220 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1CC[C@H](CCO)C1 ZINC000357147223 386726263 /nfs/dbraw/zinc/72/62/63/386726263.db2.gz NSOUQJDTWCSCBW-VXGBXAGGSA-N 0 0 241.375 2.290 10 0 BEAERN Nc1cc(OC2CCC2)c(Br)cn1 ZINC000307596557 386748757 /nfs/dbraw/zinc/74/87/57/386748757.db2.gz MGQHKVIMKJOVER-UHFFFAOYSA-N 0 0 243.104 2.358 10 0 BEAERN O=C(C1=CCCCC1)N1C[C@H]2CCC[C@@H]21 ZINC000334156777 386755161 /nfs/dbraw/zinc/75/51/61/386755161.db2.gz ZMKHZSAEWZQUOK-NEPJUHHUSA-N 0 0 205.301 2.498 10 0 BEAERN C[C@@H](NC(=O)c1ccoc1Cl)[C@H]1CCCO1 ZINC000192393400 386761316 /nfs/dbraw/zinc/76/13/16/386761316.db2.gz RVTGOVAYYHAVIC-VXNVDRBHSA-N 0 0 243.690 2.230 10 0 BEAERN CC1(C)[C@H](O)Cc2c(-c3ccccc3)cnn21 ZINC000575448811 386741241 /nfs/dbraw/zinc/74/12/41/386741241.db2.gz HYQGNMDNSPIVSZ-CYBMUJFWSA-N 0 0 228.295 2.202 10 0 BEAERN CSc1nc(F)ncc1Br ZINC000575450491 386787914 /nfs/dbraw/zinc/78/79/14/386787914.db2.gz JQMXKKXRKZBJEW-UHFFFAOYSA-N 0 0 223.070 2.100 10 0 BEAERN COC(=O)c1cc(Cl)cc(F)c1F ZINC000047202269 386821625 /nfs/dbraw/zinc/82/16/25/386821625.db2.gz KTSQPWIVLVLKEH-UHFFFAOYSA-N 0 0 206.575 2.405 10 0 BEAERN COc1ccccc1/C=C\CN1CCOCC1 ZINC000033294308 386823542 /nfs/dbraw/zinc/82/35/42/386823542.db2.gz QHDQCPYBAQHRHA-XQRVVYSFSA-N 0 0 233.311 2.041 10 0 BEAERN COC(=O)Cc1cc(C)cc(OC(F)(F)F)n1 ZINC000575374963 386799105 /nfs/dbraw/zinc/79/91/05/386799105.db2.gz CNLLBGQURPRZQE-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1ncc(OC(F)(F)F)cc1C ZINC000575375013 386799306 /nfs/dbraw/zinc/79/93/06/386799306.db2.gz GYZCBZLZMBKRCM-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1cc(OC(F)(F)F)c(C)cn1 ZINC000575375092 386799792 /nfs/dbraw/zinc/79/97/92/386799792.db2.gz MLOCFGOZQYEPEC-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1ncc(C)cc1OC(F)(F)F ZINC000575374976 386800368 /nfs/dbraw/zinc/80/03/68/386800368.db2.gz DSTITBYNMZGTJM-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1cc(OC(F)(F)F)cc(C)n1 ZINC000575374985 386800473 /nfs/dbraw/zinc/80/04/73/386800473.db2.gz FRHITLFKCGYKAJ-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN COC(=O)Cc1c(C)nccc1OC(F)(F)F ZINC000575375042 386800581 /nfs/dbraw/zinc/80/05/81/386800581.db2.gz JLMYJJOXYCWHML-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN COC(=O)Cc1cc(OC(F)(F)F)cnc1C ZINC000575374966 386800843 /nfs/dbraw/zinc/80/08/43/386800843.db2.gz CYNAGJSZRCRHBQ-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN Cc1cc(C)cc(OCCC(=O)N2CCCO2)c1 ZINC000125421446 386842354 /nfs/dbraw/zinc/84/23/54/386842354.db2.gz ZFLPRTMZDJLUJX-UHFFFAOYSA-N 0 0 249.310 2.236 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)NCC)cn1 ZINC000301414163 386843566 /nfs/dbraw/zinc/84/35/66/386843566.db2.gz BHHJUWAGOYXBTR-CMPLNLGQSA-N 0 0 247.342 2.432 10 0 BEAERN FC(F)n1ccnc1CN1C[C@H]2CCC[C@@H]21 ZINC000334789592 386854249 /nfs/dbraw/zinc/85/42/49/386854249.db2.gz ZIGSTZUYNMIMDE-BDAKNGLRSA-N 0 0 227.258 2.263 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1(C)CCCC1 ZINC000324313503 386872890 /nfs/dbraw/zinc/87/28/90/386872890.db2.gz FPYSROKODLPJGH-JTQLQIEISA-N 0 0 227.348 2.090 10 0 BEAERN CCSC[C@@H](C)N(C)c1ncc(C)cn1 ZINC000301839046 386885048 /nfs/dbraw/zinc/88/50/48/386885048.db2.gz NUANOSCWASQRCO-SNVBAGLBSA-N 0 0 225.361 2.363 10 0 BEAERN CCc1cc(N[C@@H](CO)c2ccco2)nc(C)n1 ZINC000302075028 386900788 /nfs/dbraw/zinc/90/07/88/386900788.db2.gz GQXKNJDGFDPUBC-NSHDSACASA-N 0 0 247.298 2.086 10 0 BEAERN CCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041776 386911345 /nfs/dbraw/zinc/91/13/45/386911345.db2.gz PVYAXYCTRCQXCD-QWRGUYRKSA-N 0 0 237.299 2.368 10 0 BEAERN O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1ccco1 ZINC000116043604 386911824 /nfs/dbraw/zinc/91/18/24/386911824.db2.gz OLUWVXWIXGCDBU-PWSUYJOCSA-N 0 0 235.283 2.122 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)[nH]n1 ZINC000116211997 386928341 /nfs/dbraw/zinc/92/83/41/386928341.db2.gz WPAAPNCALZIONZ-LLVKDONJSA-N 0 0 245.282 2.288 10 0 BEAERN CC(C)[C@H](CCc1ccccc1)C(N)=O ZINC000033640796 386931999 /nfs/dbraw/zinc/93/19/99/386931999.db2.gz XLUUNZHXQICDEW-LBPRGKRZSA-N 0 0 205.301 2.377 10 0 BEAERN COc1ccccc1[C@]1(O)CCSC1 ZINC000084390787 386945351 /nfs/dbraw/zinc/94/53/51/386945351.db2.gz YUOOHRQNXZYTAB-NSHDSACASA-N 0 0 210.298 2.020 10 0 BEAERN C[C@H]1CSC[C@]1(O)CCC(F)(F)F ZINC000307634128 386961764 /nfs/dbraw/zinc/96/17/64/386961764.db2.gz OZXGWYOBNSAWJT-NKWVEPMBSA-N 0 0 214.252 2.443 10 0 BEAERN Cc1nc(Cc2noc(/C=C/C(C)(C)C)n2)no1 ZINC000116606667 386967584 /nfs/dbraw/zinc/96/75/84/386967584.db2.gz SEGSCPYDPWGRKJ-AATRIKPKSA-N 0 0 248.286 2.411 10 0 BEAERN NNc1c(Cl)cccc1Br ZINC000114685479 386985532 /nfs/dbraw/zinc/98/55/32/386985532.db2.gz RJOGDNNQQSGBEY-UHFFFAOYSA-N 0 0 221.485 2.388 10 0 BEAERN CCOC(=O)Cc1c(OC)cc(F)c(F)c1F ZINC000575397493 387000987 /nfs/dbraw/zinc/00/09/87/387000987.db2.gz XCPQEKLUNUFHOY-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN O=C(c1cncs1)[C@@H]1CSCCS1 ZINC000575461495 387032050 /nfs/dbraw/zinc/03/20/50/387032050.db2.gz NDFHKNVCKSUDBY-ZETCQYMHSA-N 0 0 231.367 2.174 10 0 BEAERN Nc1ccc([C@@H](O)C2CC2)cc1Br ZINC000575460429 387037638 /nfs/dbraw/zinc/03/76/38/387037638.db2.gz PIGKPMYYSLQAQO-JTQLQIEISA-N 0 0 242.116 2.475 10 0 BEAERN COC(=O)C[C@@]1(C)C=Cc2ccccc2O1 ZINC000575423512 387039286 /nfs/dbraw/zinc/03/92/86/387039286.db2.gz OJZLILAIPFXZOI-CYBMUJFWSA-N 0 0 218.252 2.414 10 0 BEAERN CCOc1cc(OC(F)F)c(CO)cc1C ZINC000575656499 387041875 /nfs/dbraw/zinc/04/18/75/387041875.db2.gz HIKMJUVGYUBTFQ-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1ccc(OC(F)F)c(F)c1CO ZINC000575656514 387042646 /nfs/dbraw/zinc/04/26/46/387042646.db2.gz QLHROEBDQUBGGL-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN c1ccc2c(c1)OC[C@@H]2NCc1ccncc1 ZINC000070070264 387042663 /nfs/dbraw/zinc/04/26/63/387042663.db2.gz UGMVEBWJJCEFIS-ZDUSSCGKSA-N 0 0 226.279 2.305 10 0 BEAERN CCOc1cc(OC)c(O)c(OC(F)F)c1 ZINC000575657875 387045700 /nfs/dbraw/zinc/04/57/00/387045700.db2.gz WWWHOSDOJAWSCN-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1c(CO)ccc(C)c1OC(F)F ZINC000575658977 387049751 /nfs/dbraw/zinc/04/97/51/387049751.db2.gz XNYFBMJPQYYGEN-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1c(OC(F)F)ccc(C)c1CO ZINC000575659061 387049773 /nfs/dbraw/zinc/04/97/73/387049773.db2.gz YTHWYYPBILCTEE-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN C[C@H](CF)N=c1[nH]c(Br)cs1 ZINC000575580397 387050285 /nfs/dbraw/zinc/05/02/85/387050285.db2.gz RXJUQRKYIQEZCI-SCSAIBSYSA-N 0 0 239.113 2.097 10 0 BEAERN COc1ccc(OC(F)F)c(C=O)c1F ZINC000575660695 387050499 /nfs/dbraw/zinc/05/04/99/387050499.db2.gz XUPKJDPUTJEXII-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN CC(C)c1nccnc1NC1CCCC1 ZINC000336764659 387052977 /nfs/dbraw/zinc/05/29/77/387052977.db2.gz QKWWIMRETKHDQW-UHFFFAOYSA-N 0 0 205.305 2.376 10 0 BEAERN COc1c(C=O)ccc(F)c1OC(F)F ZINC000575660355 387053793 /nfs/dbraw/zinc/05/37/93/387053793.db2.gz UVWFGVWFCOMPAK-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN CC[C@@H](NN)c1ccsc1Br ZINC000575582696 387058198 /nfs/dbraw/zinc/05/81/98/387058198.db2.gz RUSFVHFPQQJRND-ZCFIWIBFSA-N 0 0 235.150 2.425 10 0 BEAERN CC(=O)c1cc(C=O)c(OC(F)F)cc1[O-] ZINC000575661113 387063454 /nfs/dbraw/zinc/06/34/54/387063454.db2.gz FKIWQSLRWUGBRW-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN C[C@@H]1C[C@@]1(C)Nc1ncncc1Br ZINC000575577116 387025837 /nfs/dbraw/zinc/02/58/37/387025837.db2.gz BTTOOMFQJILLCM-HZGVNTEJSA-N 0 0 242.120 2.450 10 0 BEAERN C[C@H](Sc1ccccn1)C(=O)N[C@@H]1C[C@@H]1C ZINC000246331745 387074562 /nfs/dbraw/zinc/07/45/62/387074562.db2.gz NTHGGYXNZUEYRW-LPEHRKFASA-N 0 0 236.340 2.087 10 0 BEAERN C[C@@H](O)c1nc2c(cccc2Br)[nH]1 ZINC000057348338 387130828 /nfs/dbraw/zinc/13/08/28/387130828.db2.gz GYFRPZWIOVGASB-RXMQYKEDSA-N 0 0 241.088 2.379 10 0 BEAERN COc1cc(C)nc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000645380808 387091150 /nfs/dbraw/zinc/09/11/50/387091150.db2.gz AMZVPEYNIVYKBK-HBNTYKKESA-N 0 0 233.315 2.394 10 0 BEAERN Cn1c(Cl)ncc1C(=O)C(C)(C)F ZINC000575472283 387102308 /nfs/dbraw/zinc/10/23/08/387102308.db2.gz MOAYXFQQWSVBGY-UHFFFAOYSA-N 0 0 204.632 2.004 10 0 BEAERN Cc1noc(C)c1CC(=O)N[C@@H](C)CC1CC1 ZINC000112601509 387106133 /nfs/dbraw/zinc/10/61/33/387106133.db2.gz SASVAQSVENXVIM-QMMMGPOBSA-N 0 0 236.315 2.139 10 0 BEAERN C[C@H]1C[C@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228778114 387114078 /nfs/dbraw/zinc/11/40/78/387114078.db2.gz SXADJEFMOHYXHB-IUYQGCFVSA-N 0 0 223.223 2.377 10 0 BEAERN C[C@H](NC(=O)N1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000071936863 387123315 /nfs/dbraw/zinc/12/33/15/387123315.db2.gz AQJIYFXQUCKCSB-WOPDTQHZSA-N 0 0 240.347 2.138 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1CC ZINC000333984366 387128548 /nfs/dbraw/zinc/12/85/48/387128548.db2.gz FMIKZJVJALVMGY-WYUUTHIRSA-N 0 0 240.347 2.042 10 0 BEAERN Nc1cccc(Cl)c1NC1CSC1 ZINC000575586323 387145874 /nfs/dbraw/zinc/14/58/74/387145874.db2.gz XKDHMRYSSXABPN-UHFFFAOYSA-N 0 0 214.721 2.450 10 0 BEAERN CCCc1cc(=O)n2c(n1)CC(C)(C)CC2 ZINC000536949919 387160433 /nfs/dbraw/zinc/16/04/33/387160433.db2.gz CVJRMQYVJIDBIA-UHFFFAOYSA-N 0 0 220.316 2.168 10 0 BEAERN Cc1cc(-c2cccs2)cc(=O)n1C ZINC000536949535 387160522 /nfs/dbraw/zinc/16/05/22/387160522.db2.gz BPRQFPRVVIPYQC-UHFFFAOYSA-N 0 0 205.282 2.422 10 0 BEAERN CCC(=O)c1ncsc1Br ZINC000575479064 387160524 /nfs/dbraw/zinc/16/05/24/387160524.db2.gz ORXAUAAHYIDBKG-UHFFFAOYSA-N 0 0 220.091 2.498 10 0 BEAERN CCCc1noc(C[C@@]2(O)CCC[C@@H]2C)n1 ZINC000536952661 387164659 /nfs/dbraw/zinc/16/46/59/387164659.db2.gz DNELVNUJDHIXFQ-CABZTGNLSA-N 0 0 224.304 2.116 10 0 BEAERN C[C@H]1CC[C@@](O)(Cc2nc(C(C)(C)C)no2)C1 ZINC000536952192 387164867 /nfs/dbraw/zinc/16/48/67/387164867.db2.gz AWEYIXHFHACVJY-ZANVPECISA-N 0 0 238.331 2.461 10 0 BEAERN CC[C@H](C)c1nc2n(c1CO)CCCC2 ZINC000536953735 387166731 /nfs/dbraw/zinc/16/67/31/387166731.db2.gz JALWRTBACULKJX-VIFPVBQESA-N 0 0 208.305 2.225 10 0 BEAERN Cc1ccc([C@@H](C[NH3+])C2(C(=O)[O-])CCC2)cc1 ZINC000536955437 387168379 /nfs/dbraw/zinc/16/83/79/387168379.db2.gz ZOKUPEXHJGEJCQ-GFCCVEGCSA-N 0 0 233.311 2.292 10 0 BEAERN COc1cncc(-c2n[nH]cc2C(F)(F)F)c1 ZINC000536958295 387171407 /nfs/dbraw/zinc/17/14/07/387171407.db2.gz IYTTXLMSDHMUTR-UHFFFAOYSA-N 0 0 243.188 2.499 10 0 BEAERN Cc1cccc(CNC(=O)N(C)CCC2CC2)n1 ZINC000120116661 387174737 /nfs/dbraw/zinc/17/47/37/387174737.db2.gz ZCFLJSRGFVBKHA-UHFFFAOYSA-N 0 0 247.342 2.332 10 0 BEAERN Cc1cccc(Br)c1NC(N)N=O ZINC000575482578 387179526 /nfs/dbraw/zinc/17/95/26/387179526.db2.gz XSZYPLNRSKNMFG-UHFFFAOYSA-N 0 0 244.092 2.083 10 0 BEAERN Clc1nsnc1NC[C@H]1CC12CC2 ZINC000575481564 387188743 /nfs/dbraw/zinc/18/87/43/387188743.db2.gz HHPMRDBBNCWYMR-RXMQYKEDSA-N 0 0 215.709 2.404 10 0 BEAERN CCOCCC1(C(=O)N[C@@H]2C[C@H]2C)CCC1 ZINC000120605455 387191921 /nfs/dbraw/zinc/19/19/21/387191921.db2.gz IZECPOUBZFKVRA-GHMZBOCLSA-N 0 0 225.332 2.108 10 0 BEAERN CCOc1cc(N[C@H](C)c2ncc(C)o2)ncn1 ZINC000228861351 387134392 /nfs/dbraw/zinc/13/43/92/387134392.db2.gz ZEHHREMUMAUDKG-SECBINFHSA-N 0 0 248.286 2.345 10 0 BEAERN Cc1cc(O)c(C=O)cc1OC(F)F ZINC000575662800 387192079 /nfs/dbraw/zinc/19/20/79/387192079.db2.gz IZSGUGZOIKBMEM-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CCCO ZINC000230171420 387239594 /nfs/dbraw/zinc/23/95/94/387239594.db2.gz LFTMHGGZKZQUIB-UPJWGTAASA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(O)cc1 ZINC000230175051 387239752 /nfs/dbraw/zinc/23/97/52/387239752.db2.gz NCGGJWZWTHZGKW-BXUZGUMPSA-N 0 0 247.338 2.487 10 0 BEAERN COCc1cnc(NCc2ccco2)s1 ZINC000285200397 387251512 /nfs/dbraw/zinc/25/15/12/387251512.db2.gz OIUNQCZUDQQTKI-UHFFFAOYSA-N 0 0 224.285 2.495 10 0 BEAERN Cc1nc([C@@](C)(N)C(F)F)sc1C ZINC000575590257 387197799 /nfs/dbraw/zinc/19/77/99/387197799.db2.gz OPNOCCWIYNASMS-QMMMGPOBSA-N 0 0 206.261 2.199 10 0 BEAERN Cc1csc([C@@](C)(N)C(F)(F)F)n1 ZINC000575589655 387198324 /nfs/dbraw/zinc/19/83/24/387198324.db2.gz NIGBUFXQPFISCX-ZCFIWIBFSA-N 0 0 210.224 2.188 10 0 BEAERN CC(C)n1nnnc1CN[C@@H](C)c1ccccc1 ZINC000120702840 387266578 /nfs/dbraw/zinc/26/65/78/387266578.db2.gz CCFHENOWMORXHI-NSHDSACASA-N 0 0 245.330 2.105 10 0 BEAERN Cc1cc(OC(F)F)c(O)cc1C=O ZINC000575663288 387270370 /nfs/dbraw/zinc/27/03/70/387270370.db2.gz VRCFESZFBWEMCP-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN Nc1cccc(Br)c1N1CC=CC1 ZINC000575492382 387277325 /nfs/dbraw/zinc/27/73/25/387277325.db2.gz DZMZZQQBRWZHEO-UHFFFAOYSA-N 0 0 239.116 2.408 10 0 BEAERN O=C1COC[C@H]1c1cccc(Br)c1 ZINC000575494076 387287261 /nfs/dbraw/zinc/28/72/61/387287261.db2.gz UPDICNNBXTYKEZ-VIFPVBQESA-N 0 0 241.084 2.132 10 0 BEAERN O=C1CO[C@@H](c2ccc(Br)cc2)C1 ZINC000575502694 387355360 /nfs/dbraw/zinc/35/53/60/387355360.db2.gz VGUQNEGRWSEQGP-SNVBAGLBSA-N 0 0 241.084 2.480 10 0 BEAERN COc1cc(C(N)=O)c(C(F)(F)F)cc1C ZINC000575674568 387357353 /nfs/dbraw/zinc/35/73/53/387357353.db2.gz RWHPZYODHACAOC-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN Brc1csc(N[C@@H]2C=CCC2)n1 ZINC000575503153 387358124 /nfs/dbraw/zinc/35/81/24/387358124.db2.gz DNOSVLGSSAQVMM-ZCFIWIBFSA-N 0 0 245.145 2.458 10 0 BEAERN COc1cc(C)cc(C(F)(F)F)c1C(N)=O ZINC000575674650 387358554 /nfs/dbraw/zinc/35/85/54/387358554.db2.gz UFNAXGGFOXJCGU-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN CC(C)(C)c1cc2c(c(Cl)n1)C(=O)O[C@@H]2O ZINC000575601430 387359211 /nfs/dbraw/zinc/35/92/11/387359211.db2.gz FQFWEPNDPBQLQN-VIFPVBQESA-N 0 0 241.674 2.194 10 0 BEAERN OCc1c(Cl)ccc(Br)c1O ZINC000575676317 387359674 /nfs/dbraw/zinc/35/96/74/387359674.db2.gz SEDOQDGHWNFTTA-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN COC(=O)Cc1coc2cc3c(cc12)OCCC3 ZINC000575601598 387361398 /nfs/dbraw/zinc/36/13/98/387361398.db2.gz FDWJDIHMNJLNNF-UHFFFAOYSA-N 0 0 246.262 2.473 10 0 BEAERN O=C(CCOC(F)F)OCc1ccccc1 ZINC000575602337 387370507 /nfs/dbraw/zinc/37/05/07/387370507.db2.gz ZCAPBIBWGPZTKW-UHFFFAOYSA-N 0 0 230.210 2.359 10 0 BEAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CCCO ZINC000360951049 387373168 /nfs/dbraw/zinc/37/31/68/387373168.db2.gz JREGMCLBIACRLU-CHWSQXEVSA-N 0 0 241.375 2.432 10 0 BEAERN COc1c(F)ccc(C=O)c1Br ZINC000575689062 387375583 /nfs/dbraw/zinc/37/55/83/387375583.db2.gz JZIJLOSOFTXKCA-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN O=Cc1ccc(Br)c(C=O)c1F ZINC000575689282 387375990 /nfs/dbraw/zinc/37/59/90/387375990.db2.gz ZYNFGUVEFXNHPX-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN O=Cc1ccc(C=O)c(Br)c1F ZINC000575689481 387377978 /nfs/dbraw/zinc/37/79/78/387377978.db2.gz NAUHAVNIWOKKJH-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN CCc1cc(C=O)cc(CO)c1C(F)F ZINC000575666827 387319863 /nfs/dbraw/zinc/31/98/63/387319863.db2.gz GKYBHRODUFTJKU-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCc1cc(C(F)F)cc(CO)c1C=O ZINC000575669351 387328395 /nfs/dbraw/zinc/32/83/95/387328395.db2.gz YEEBAXCAKDEMMN-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN Clc1nsnc1N1CC[C@H]2C[C@H]2C1 ZINC000575594609 387329747 /nfs/dbraw/zinc/32/97/47/387329747.db2.gz LZGYTXTZDJFPLE-WDSKDSINSA-N 0 0 215.709 2.038 10 0 BEAERN COc1cc(O)c(C)cc1Br ZINC000575693332 387382929 /nfs/dbraw/zinc/38/29/29/387382929.db2.gz YZDXSUJPJBZWRZ-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN O[C@@H]1CC[C@@H]1Nc1cccc(Br)c1 ZINC000575595135 387334561 /nfs/dbraw/zinc/33/45/61/387334561.db2.gz VYMSCXQYBSLZFV-VHSXEESVSA-N 0 0 242.116 2.384 10 0 BEAERN O[C@H]1CC[C@H]1Nc1cccc(Br)c1 ZINC000575595136 387334664 /nfs/dbraw/zinc/33/46/64/387334664.db2.gz VYMSCXQYBSLZFV-ZJUUUORDSA-N 0 0 242.116 2.384 10 0 BEAERN Cc1cc(C)c(C(N)=O)c(C(F)(F)F)c1 ZINC000575672696 387339979 /nfs/dbraw/zinc/33/99/79/387339979.db2.gz IAZQVMPIRRFILP-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN COc1cc(O)cc(OC(F)(F)F)c1OC ZINC000575671845 387341670 /nfs/dbraw/zinc/34/16/70/387341670.db2.gz PJPUDKKCFGAMGJ-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN CCc1nc(C)nc(F)c1Br ZINC000575599164 387349049 /nfs/dbraw/zinc/34/90/49/387349049.db2.gz ATLHMBMPGOYRSQ-UHFFFAOYSA-N 0 0 219.057 2.249 10 0 BEAERN C[C@H]1CN(c2cc(Br)ncn2)[C@H]1C ZINC000575599229 387351138 /nfs/dbraw/zinc/35/11/38/387351138.db2.gz CWWJKVVDKUYJJM-BQBZGAKWSA-N 0 0 242.120 2.084 10 0 BEAERN CCOc1cc(C(C)=O)c(CC)cc1N ZINC000575718115 387423533 /nfs/dbraw/zinc/42/35/33/387423533.db2.gz XTPGPKMEWKQWRF-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CSCCC(=O)Nc1ccc2c(c1)COC2 ZINC000121849232 387424754 /nfs/dbraw/zinc/42/47/54/387424754.db2.gz AQFSHKYWLZVDIA-UHFFFAOYSA-N 0 0 237.324 2.408 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc(F)c1O ZINC000575714649 387428674 /nfs/dbraw/zinc/42/86/74/387428674.db2.gz SVTBWVLHDQSZAG-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COc1cc(OC(F)F)cc(C(C)=O)c1N ZINC000575716432 387432622 /nfs/dbraw/zinc/43/26/22/387432622.db2.gz DYCFZZJXJAZXQP-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOc1ccc(CC)c(N)c1C(C)=O ZINC000575716890 387433499 /nfs/dbraw/zinc/43/34/99/387433499.db2.gz HXOUWWTZNXGPQU-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CCOc1ccc(CC)c(C(C)=O)c1N ZINC000575717376 387434473 /nfs/dbraw/zinc/43/44/73/387434473.db2.gz PSAKCCUIOMDWOY-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1c(OC(F)F)cc(N)cc1C(C)=O ZINC000575717443 387435015 /nfs/dbraw/zinc/43/50/15/387435015.db2.gz PZUINKXWKNWEEP-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CC(=O)c1cc(OC(F)F)cc(N)c1C ZINC000575717691 387436376 /nfs/dbraw/zinc/43/63/76/387436376.db2.gz VNABHBUMEJTJTC-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CCOC(=O)c1cc(N)cc(OC)c1CC ZINC000575724429 387437905 /nfs/dbraw/zinc/43/79/05/387437905.db2.gz HBALXMAPRWPXAM-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN COc1cc(N)cc(Br)c1C ZINC000575720016 387439561 /nfs/dbraw/zinc/43/95/61/387439561.db2.gz CDVGSMOHNRCJPB-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN COc1ccc(C)c(N)c1Br ZINC000575721139 387442947 /nfs/dbraw/zinc/44/29/47/387442947.db2.gz XYONATHFFSKNMP-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN CCOC(=O)c1c(N)cc(C)cc1CC ZINC000575725401 387461884 /nfs/dbraw/zinc/46/18/84/387461884.db2.gz XVRWJTXGIWTHAC-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CCc1c(N)c(N)ccc1OC(F)F ZINC000575720570 387443330 /nfs/dbraw/zinc/44/33/30/387443330.db2.gz OFTZIBFUFIARNW-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN Nc1cc(N)c(OC(F)F)c(Cl)c1 ZINC000575721218 387443476 /nfs/dbraw/zinc/44/34/76/387443476.db2.gz ZMQHQTMGPUAKJT-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN CCOc1cc(OC)c(N)cc1Br ZINC000575722054 387444241 /nfs/dbraw/zinc/44/42/41/387444241.db2.gz DSNAFXMGSNYFTA-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COc1ccc(C)c(N)c1OC(F)F ZINC000575722417 387444750 /nfs/dbraw/zinc/44/47/50/387444750.db2.gz BLTPEDSAFGGJQR-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCc1ccc(N)c(N)c1Br ZINC000575722073 387444977 /nfs/dbraw/zinc/44/49/77/387444977.db2.gz FLHYMJHDYMBPCZ-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CC(=O)c1c(N)ccc(N)c1C(F)(F)F ZINC000575723106 387445999 /nfs/dbraw/zinc/44/59/99/387445999.db2.gz OVXUTIYNWQDPQH-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN COc1ccc(OC(F)F)c(C)c1N ZINC000575722937 387446706 /nfs/dbraw/zinc/44/67/06/387446706.db2.gz IOINXYNTXCSJLR-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1cc(N)cc(C)c1OC(F)F ZINC000575722804 387446813 /nfs/dbraw/zinc/44/68/13/387446813.db2.gz GOLVAGCHFFEOGJ-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1c(N)ccc(OC(F)F)c1C ZINC000575723840 387447751 /nfs/dbraw/zinc/44/77/51/387447751.db2.gz ZNSKNENZPCRARJ-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN Nc1cc(C(F)(F)F)c(N)cc1OC(F)F ZINC000575723661 387447816 /nfs/dbraw/zinc/44/78/16/387447816.db2.gz ZYMMAYFOUKHMIV-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN CCOC(=O)c1cc(N)cc(F)c1CC ZINC000575724003 387448104 /nfs/dbraw/zinc/44/81/04/387448104.db2.gz OCDVSMWOEGKHMK-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)Cc1c(C)cc(N)cc1OCC ZINC000575724070 387448163 /nfs/dbraw/zinc/44/81/63/387448163.db2.gz RNHLZCOXDDZTHI-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)c1cc(OC)cc(CC)c1N ZINC000575723950 387448200 /nfs/dbraw/zinc/44/82/00/387448200.db2.gz LKOGTFSBPLTOFA-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)c1cc(OCC)cc(CC)c1N ZINC000575723859 387448247 /nfs/dbraw/zinc/44/82/47/387448247.db2.gz GEOPICNYEJOIDR-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN C[C@@H]1CC[C@@H]1NC1N=NC(=S)S1 ZINC000306277532 387456264 /nfs/dbraw/zinc/45/62/64/387456264.db2.gz NSMVXMRZFVIFKG-UHNVWZDZSA-N 0 0 201.320 2.037 10 0 BEAERN CCOc1c(C)cc(CC)cc1C(N)=O ZINC000575697577 387393217 /nfs/dbraw/zinc/39/32/17/387393217.db2.gz ZMOWBQCKMAKCSX-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN OCc1cc(F)cc(F)c1C(F)(F)F ZINC000575695035 387394793 /nfs/dbraw/zinc/39/47/93/387394793.db2.gz LTWVOYCMCQGGIE-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN CCOc1cc(C=O)c(OC)c(CC)c1 ZINC000575696270 387396271 /nfs/dbraw/zinc/39/62/71/387396271.db2.gz LGLWUSGHLFBIFF-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CSc1c(F)ccc(C(C)=O)c1O ZINC000575704477 387402160 /nfs/dbraw/zinc/40/21/60/387402160.db2.gz WHCSWMGRMSUZAE-UHFFFAOYSA-N 0 0 200.234 2.456 10 0 BEAERN CCOC(=O)Cc1cc(O)c(F)cc1Cl ZINC000575700982 387404028 /nfs/dbraw/zinc/40/40/28/387404028.db2.gz OOALHILTFWAEIY-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)Cc1cc(O)c(Cl)cc1F ZINC000575700353 387404152 /nfs/dbraw/zinc/40/41/52/387404152.db2.gz IGEDSJUFIGYWSD-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)c1ccc(C)c(OC)c1F ZINC000575701509 387405067 /nfs/dbraw/zinc/40/50/67/387405067.db2.gz AYUQWKOMKPTWRZ-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN CCc1c(C(N)=O)ccc(C=O)c1C(F)(F)F ZINC000575701625 387405836 /nfs/dbraw/zinc/40/58/36/387405836.db2.gz AFKFFEXJLQQWEH-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN CCc1ccc(SC)c(F)c1C(N)=O ZINC000575702606 387406751 /nfs/dbraw/zinc/40/67/51/387406751.db2.gz STDQVZDYYAXBHS-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN O=Cc1c(F)ccc(OC(F)(F)F)c1CO ZINC000575706102 387410995 /nfs/dbraw/zinc/41/09/95/387410995.db2.gz RPTMTOOKZJYOBE-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1ccc(F)c(SC)c1C=O ZINC000575707485 387411194 /nfs/dbraw/zinc/41/11/94/387411194.db2.gz CLUZJNAVOBOOSC-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN Cc1cc(F)c(C(N)=O)c(OC(F)(F)F)c1 ZINC000575708390 387412747 /nfs/dbraw/zinc/41/27/47/387412747.db2.gz DAOFKDAGXJIURP-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COc1cc(SC)c(F)cc1C=O ZINC000575707910 387412834 /nfs/dbraw/zinc/41/28/34/387412834.db2.gz JXLBPEAOARTYJW-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COCCc1ccnc(N[C@H]2CCSC2)c1 ZINC000287567916 387460893 /nfs/dbraw/zinc/46/08/93/387460893.db2.gz QMAILNWATLZYII-NSHDSACASA-N 0 0 238.356 2.188 10 0 BEAERN COC(=O)c1c(Cl)cc(F)cc1OC ZINC000575712026 387415103 /nfs/dbraw/zinc/41/51/03/387415103.db2.gz AJHDFDNWQCDUCI-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN COC(=O)c1cc(F)cc(C(F)(F)F)c1O ZINC000575713601 387416821 /nfs/dbraw/zinc/41/68/21/387416821.db2.gz FUOZMGOUJNALFI-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN Nc1cnn(Cc2ccsc2Cl)c1 ZINC000575526521 387533483 /nfs/dbraw/zinc/53/34/83/387533483.db2.gz URBSUVGALBRJHJ-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CCN(CC)C(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000355510713 387544662 /nfs/dbraw/zinc/54/46/62/387544662.db2.gz MHZJNAQHZNIAOG-GHMZBOCLSA-N 0 0 242.363 2.241 10 0 BEAERN CCOC(=O)c1ccc(O)c(N)c1C(F)(F)F ZINC000575726066 387464127 /nfs/dbraw/zinc/46/41/27/387464127.db2.gz YPCIHOLUVFSDAT-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN COc1cc(C)c(N)c(OC(F)(F)F)c1 ZINC000575728916 387467048 /nfs/dbraw/zinc/46/70/48/387467048.db2.gz HQUOSUMKSDDUEA-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1c(C)cc(OC(F)(F)F)cc1N ZINC000575730005 387467058 /nfs/dbraw/zinc/46/70/58/387467058.db2.gz QITHPRYPBMPNGL-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(OC(F)(F)F)c(C)cc1N ZINC000575729598 387467536 /nfs/dbraw/zinc/46/75/36/387467536.db2.gz NZFNHCSCFQCUBL-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(OC(F)(F)F)c(CO)cc1C ZINC000575728878 387467939 /nfs/dbraw/zinc/46/79/39/387467939.db2.gz GVKOBHXPTWMFOP-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(OC(F)(F)F)cc(CO)c1C ZINC000575729244 387469476 /nfs/dbraw/zinc/46/94/76/387469476.db2.gz KHSWBZWTPXBZHG-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(N)cc(OC(F)(F)F)c1C ZINC000575730454 387472918 /nfs/dbraw/zinc/47/29/18/387472918.db2.gz WEUQSUODHWQPSC-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1c(C)c(OC(F)(F)F)ccc1CO ZINC000575730548 387473713 /nfs/dbraw/zinc/47/37/13/387473713.db2.gz XEQKHODQKSCXFW-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN O[C@H](c1cc[nH]c1)c1occc1Br ZINC000575540434 387589059 /nfs/dbraw/zinc/58/90/59/387589059.db2.gz CITDNVQIYHEPCF-MRVPVSSYSA-N 0 0 242.072 2.452 10 0 BEAERN Cn1ncc(NCC(C)(F)F)c1Cl ZINC000575545278 387628422 /nfs/dbraw/zinc/62/84/22/387628422.db2.gz JYTAGTIEIGSXFK-UHFFFAOYSA-N 0 0 209.627 2.141 10 0 BEAERN CC(C)CCC(=O)N(C)C[C@@H]1CCCO1 ZINC000122777523 387595840 /nfs/dbraw/zinc/59/58/40/387595840.db2.gz YMIOZOGSBKIMCB-NSHDSACASA-N 0 0 213.321 2.060 10 0 BEAERN CN(C[C@H]1CCCO1)C(=O)CC1CCCC1 ZINC000122827754 387607831 /nfs/dbraw/zinc/60/78/31/387607831.db2.gz GZQXDVWVBHDLTO-GFCCVEGCSA-N 0 0 225.332 2.204 10 0 BEAERN CC[C@H](CO)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000124208359 387608853 /nfs/dbraw/zinc/60/88/53/387608853.db2.gz FPTAXXZIEIPDOO-AGIUHOORSA-N 0 0 239.359 2.090 10 0 BEAERN O=C1COC[C@H]1c1cscc1Br ZINC000575530867 387552090 /nfs/dbraw/zinc/55/20/90/387552090.db2.gz KYXUKMOQEKJRAW-YFKPBYRVSA-N 0 0 247.113 2.194 10 0 BEAERN CCN(CCO)C(=O)c1cccc2ccccc21 ZINC000037854134 387568186 /nfs/dbraw/zinc/56/81/86/387568186.db2.gz BYXUDEXQECJCEP-UHFFFAOYSA-N 0 0 243.306 2.294 10 0 BEAERN Cn1c(=S)[nH]c2cncc(Br)c21 ZINC000575536064 387577140 /nfs/dbraw/zinc/57/71/40/387577140.db2.gz MOINHRLNQCGDFV-UHFFFAOYSA-N 0 0 244.117 2.020 10 0 BEAERN Cc1ccc(C)c(C(=O)N2CC[C@@H](CCO)C2)c1 ZINC000122960185 387578216 /nfs/dbraw/zinc/57/82/16/387578216.db2.gz RSOLYAORBYNFBU-ZDUSSCGKSA-N 0 0 247.338 2.148 10 0 BEAERN C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)[C@@H]1CCCO1 ZINC000125082522 387644057 /nfs/dbraw/zinc/64/40/57/387644057.db2.gz RJIZSCZHTJIRMG-WYUUTHIRSA-N 0 0 240.347 2.136 10 0 BEAERN Cc1cc(C)c(C(=O)N2CCCSCC2)[nH]1 ZINC000125096595 387644146 /nfs/dbraw/zinc/64/41/46/387644146.db2.gz FYJZYLKYRZNEJY-UHFFFAOYSA-N 0 0 238.356 2.211 10 0 BEAERN CC[C@@H](C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123130716 387657329 /nfs/dbraw/zinc/65/73/29/387657329.db2.gz TYIUGSOWGZTHOZ-DGCLKSJQSA-N 0 0 248.326 2.107 10 0 BEAERN CSCCCCNC(=O)c1ccc(C)o1 ZINC000125712677 387663061 /nfs/dbraw/zinc/66/30/61/387663061.db2.gz RFDBOZBTUVWFIL-UHFFFAOYSA-N 0 0 227.329 2.461 10 0 BEAERN CCc1cccc(CC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000123375475 387685894 /nfs/dbraw/zinc/68/58/94/387685894.db2.gz DQMJMRUXMZOULI-GXFFZTMASA-N 0 0 217.312 2.316 10 0 BEAERN ClC(Cl)(Cl)CCN1CCO[C@H]2C[C@H]21 ZINC000306406241 387690014 /nfs/dbraw/zinc/69/00/14/387690014.db2.gz WWPNJVNFUFCSTQ-RQJHMYQMSA-N 0 0 244.549 2.220 10 0 BEAERN C[C@H]1CN[C@@H](c2ccncc2Cl)S1 ZINC000575554596 387693791 /nfs/dbraw/zinc/69/37/91/387693791.db2.gz GCFTXJRDSLTEJX-IMTBSYHQSA-N 0 0 214.721 2.459 10 0 BEAERN CCCC1(CNC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000128577419 387750193 /nfs/dbraw/zinc/75/01/93/387750193.db2.gz KDNPRHILXBKTBF-QWRGUYRKSA-N 0 0 225.332 2.250 10 0 BEAERN CCc1ccccc1C(=O)N1CC[C@@H](CCO)C1 ZINC000127015438 387704517 /nfs/dbraw/zinc/70/45/17/387704517.db2.gz AZZAUEAHXKARSD-LBPRGKRZSA-N 0 0 247.338 2.094 10 0 BEAERN COCc1csc(NC(=O)C(C)(C)C)n1 ZINC000115245112 387714772 /nfs/dbraw/zinc/71/47/72/387714772.db2.gz VOLPUGMBRCNJHS-UHFFFAOYSA-N 0 0 228.317 2.274 10 0 BEAERN CC1(Cn2cc(Br)c(N)n2)CCC1 ZINC000306305770 387763874 /nfs/dbraw/zinc/76/38/74/387763874.db2.gz IYHAHEKAOXGFIL-UHFFFAOYSA-N 0 0 244.136 2.418 10 0 BEAERN O=C(C(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000049827118 387787378 /nfs/dbraw/zinc/78/73/78/387787378.db2.gz CVVAMTRFPONHBP-UHFFFAOYSA-N 0 0 235.258 2.021 10 0 BEAERN Nc1cnc(Sc2ccccc2)nc1 ZINC000040456176 387810541 /nfs/dbraw/zinc/81/05/41/387810541.db2.gz QOICRWBRVYBFHJ-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN CC(C)(C)CCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000080994182 387761259 /nfs/dbraw/zinc/76/12/59/387761259.db2.gz AMXIJOAHCWEWID-QWRGUYRKSA-N 0 0 227.348 2.090 10 0 BEAERN COC(=O)c1[nH]c2ncc(F)cc2c1Cl ZINC000575624601 387822027 /nfs/dbraw/zinc/82/20/27/387822027.db2.gz MDOBJWPUYJISPL-UHFFFAOYSA-N 0 0 228.610 2.142 10 0 BEAERN Cc1c(C(F)(F)F)ccc(CO)c1[N+](=O)[O-] ZINC000575637854 387832294 /nfs/dbraw/zinc/83/22/94/387832294.db2.gz IXYXRMXFZZVBLX-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(C#N)cc(C=O)c1OCC ZINC000575638732 387832709 /nfs/dbraw/zinc/83/27/09/387832709.db2.gz UCPXFLCVSQAUOP-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1c(C=O)c(C#N)ccc1OC(F)F ZINC000575638357 387833738 /nfs/dbraw/zinc/83/37/38/387833738.db2.gz HJSNDOKXTPYHDV-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)c1cc(OC)c(C(F)(F)F)cc1N ZINC000575638470 387833949 /nfs/dbraw/zinc/83/39/49/387833949.db2.gz AOOPACFLIGEUNQ-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COC(=O)c1c(C)ccc(N)c1OC(F)(F)F ZINC000575638763 387834388 /nfs/dbraw/zinc/83/43/88/387834388.db2.gz CKHLYKCOAAOCGJ-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN Cc1c(CO)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575639164 387835142 /nfs/dbraw/zinc/83/51/42/387835142.db2.gz XFNYINVZVKYUDB-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COc1cc(C(C)=O)cc(C#N)c1OC(F)F ZINC000575639111 387835913 /nfs/dbraw/zinc/83/59/13/387835913.db2.gz CYBKWZDOKLUVNJ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1c(C#N)ccc(CO)c1C(F)F ZINC000575639398 387836204 /nfs/dbraw/zinc/83/62/04/387836204.db2.gz ADYAVRAAXOLJLX-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN N#Cc1cc(F)cc(C=O)c1OC(F)F ZINC000575639440 387836288 /nfs/dbraw/zinc/83/62/88/387836288.db2.gz IANGURQJDWLBCR-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1c(C)ccc(C#N)c1OC(F)F ZINC000575640198 387838210 /nfs/dbraw/zinc/83/82/10/387838210.db2.gz GEWBPHJUWOIGHW-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COc1cc(OC(F)F)c(C#N)cc1F ZINC000575640689 387839475 /nfs/dbraw/zinc/83/94/75/387839475.db2.gz PPNUCOCQFFUFGT-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1ccc(OC(F)F)c(C#N)c1C(C)=O ZINC000575640391 387839705 /nfs/dbraw/zinc/83/97/05/387839705.db2.gz OADRVQOGXJBTTJ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN O=C([O-])c1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000390821987 387839958 /nfs/dbraw/zinc/83/99/58/387839958.db2.gz GRDQUCXWZCDAQO-UHFFFAOYSA-N 0 0 244.294 2.333 10 0 BEAERN COc1cc(C(C)=O)c(C#N)cc1OC(F)F ZINC000575639835 387841335 /nfs/dbraw/zinc/84/13/35/387841335.db2.gz JXTXMXZCCKCUCT-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN N#Cc1cc(F)c(OC(F)F)c(C=O)c1 ZINC000575641009 387841392 /nfs/dbraw/zinc/84/13/92/387841392.db2.gz SFZZIUHHMKWSTC-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(C#N)cc(OC(F)F)c1F ZINC000575639843 387841674 /nfs/dbraw/zinc/84/16/74/387841674.db2.gz KBBSCJHQZCCZFV-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1ccc(C(C)=O)c(C#N)c1OC(F)F ZINC000575639876 387842657 /nfs/dbraw/zinc/84/26/57/387842657.db2.gz KKXKPAGQABKQAI-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCc1cc(CO)c(OC(F)F)cc1C#N ZINC000575641619 387843222 /nfs/dbraw/zinc/84/32/22/387843222.db2.gz WQFOSZUGUMWUHH-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COC(=O)c1ccc(C(F)(F)F)c(OC)c1N ZINC000575641493 387844449 /nfs/dbraw/zinc/84/44/49/387844449.db2.gz UWKVJZIHOQCHQF-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1cc(C#N)c(OC(F)F)cc1C=O ZINC000575642108 387845888 /nfs/dbraw/zinc/84/58/88/387845888.db2.gz XGIIHBUXVBQXRX-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CCc1cc(C#N)c(C(F)F)cc1C(N)=O ZINC000575642322 387846782 /nfs/dbraw/zinc/84/67/82/387846782.db2.gz ZHCBHFBASLGAJD-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCOc1cc(CC)c(C#N)c(CO)c1 ZINC000575642750 387864521 /nfs/dbraw/zinc/86/45/21/387864521.db2.gz IHJQSRBKNWCKFV-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1c(C#N)ccc(CO)c1CC ZINC000575642881 387865732 /nfs/dbraw/zinc/86/57/32/387865732.db2.gz KJHJTXJQOLJBSJ-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCc1cc(C(F)(F)F)cc(C#N)c1C(N)=O ZINC000575645509 387874652 /nfs/dbraw/zinc/87/46/52/387874652.db2.gz BHJRHYXOTVPFOR-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN N#Cc1cc(CO)c(C(F)(F)F)cc1F ZINC000575644339 387872203 /nfs/dbraw/zinc/87/22/03/387872203.db2.gz AFKINWJTGFKBEK-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN Nc1snc2cc(Br)cnc12 ZINC000575624184 387816036 /nfs/dbraw/zinc/81/60/36/387816036.db2.gz ORSXKSVFAQLNSV-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN Cc1cc(C(F)(F)F)cc(CO)c1C#N ZINC000575650699 387889871 /nfs/dbraw/zinc/88/98/71/387889871.db2.gz YXFMFUHVACBOKL-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN N#Cc1cc(C=O)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575650628 387889893 /nfs/dbraw/zinc/88/98/93/387889893.db2.gz RPVNVJMIYWAXQP-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCc1cc(CC)nc(NC[C@H]2CCC[C@H]2O)n1 ZINC000288219029 387889964 /nfs/dbraw/zinc/88/99/64/387889964.db2.gz DPORKAIQOPZYAI-ZWNOBZJWSA-N 0 0 249.358 2.174 10 0 BEAERN COc1c(C#N)ccc(C(F)(F)F)c1CO ZINC000575650912 387891630 /nfs/dbraw/zinc/89/16/30/387891630.db2.gz XBSPVBUZTHAYOR-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN COc1cc(C=O)c(C#N)c(OC(F)(F)F)c1 ZINC000575650923 387892774 /nfs/dbraw/zinc/89/27/74/387892774.db2.gz XFPHCLHBQHWMSC-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCc1c(F)c(CO)ccc1OC(F)F ZINC000575653752 387896190 /nfs/dbraw/zinc/89/61/90/387896190.db2.gz MZFMRXYWHLFHFZ-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(O)c(OC(F)F)cc1CO ZINC000575653560 387896758 /nfs/dbraw/zinc/89/67/58/387896758.db2.gz KGOKMFOKAOAUJD-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1c(O)ccc(OC(F)F)c1CO ZINC000575654241 387897486 /nfs/dbraw/zinc/89/74/86/387897486.db2.gz WXWBHWNLUXHSQT-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1c(F)ccc(OC(F)F)c1CO ZINC000575653936 387898060 /nfs/dbraw/zinc/89/80/60/387898060.db2.gz RHLIIQNPIWGNIB-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCOc1cc([N+](=O)[O-])cc(C(C)=O)c1C#N ZINC000575645633 387875451 /nfs/dbraw/zinc/87/54/51/387875451.db2.gz BMSPTSGEJLVBCE-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc(F)c1CO ZINC000575644711 387876675 /nfs/dbraw/zinc/87/66/75/387876675.db2.gz AQZIIBIWKCSYIP-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN N#CCc1cc(C#N)c(C(F)(F)F)c(C=O)c1 ZINC000575644608 387877045 /nfs/dbraw/zinc/87/70/45/387877045.db2.gz AQGRDNYAJAQMDB-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN N#CCc1cc(C#N)cc(C=O)c1C(F)(F)F ZINC000575644926 387877655 /nfs/dbraw/zinc/87/76/55/387877655.db2.gz BMNHDCALURWPGZ-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN N#Cc1ccc(C(F)(F)F)c(F)c1CO ZINC000575645955 387877682 /nfs/dbraw/zinc/87/76/82/387877682.db2.gz HGQDTFZGKUTFDN-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN N#Cc1cc(CO)cc(F)c1C(F)(F)F ZINC000575645203 387879485 /nfs/dbraw/zinc/87/94/85/387879485.db2.gz FJZBTLNVWIGCTI-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCOc1cc(C#N)c([N+](=O)[O-])c(C(C)=O)c1 ZINC000575646607 387881479 /nfs/dbraw/zinc/88/14/79/387881479.db2.gz FAGWWSVDUYAUJT-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN N#Cc1cc(OC(F)(F)F)c(C=O)cc1F ZINC000575647375 387881640 /nfs/dbraw/zinc/88/16/40/387881640.db2.gz KZSJDBRBEWGYTQ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN COc1cc(C(F)(F)F)c(C#N)cc1C=O ZINC000575646826 387882661 /nfs/dbraw/zinc/88/26/61/387882661.db2.gz HYFGXDWKAYBSQN-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCOc1cc(C#N)c(OC)c(C(C)=O)c1 ZINC000575647500 387883180 /nfs/dbraw/zinc/88/31/80/387883180.db2.gz LBAGLRBDAKINEE-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN COc1c(C#N)cc(CO)cc1C(F)(F)F ZINC000575650994 387885297 /nfs/dbraw/zinc/88/52/97/387885297.db2.gz YQIGUXSQDXRWOT-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1c(C(N)=O)cc(C#N)cc1C(F)(F)F ZINC000575650955 387885439 /nfs/dbraw/zinc/88/54/39/387885439.db2.gz ZEYWPIOYBLFSCF-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1cc(OC)c(C#N)c(C(C)=O)c1 ZINC000575648677 387885472 /nfs/dbraw/zinc/88/54/72/387885472.db2.gz XAMGIZCYOGTOSF-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)cc([N+](=O)[O-])c1C(C)=O ZINC000575651125 387886862 /nfs/dbraw/zinc/88/68/62/387886862.db2.gz XHWYELWIYUOKPR-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN COc1ccc(C(F)(F)F)c(C#N)c1CO ZINC000575649804 387887585 /nfs/dbraw/zinc/88/75/85/387887585.db2.gz RUQMPDPHSUVPFK-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN N#Cc1cc([N+](=O)[O-])c(C=O)c(C(F)(F)F)c1 ZINC000575651274 387887815 /nfs/dbraw/zinc/88/78/15/387887815.db2.gz XNLMDIRQRCPZIB-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCOc1cc(C#N)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575650077 387889203 /nfs/dbraw/zinc/88/92/03/387889203.db2.gz RKNZDYUOKPZPTB-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCc1c(OC)ccc([N+](=O)[O-])c1C#N ZINC000575650253 387889329 /nfs/dbraw/zinc/88/93/29/387889329.db2.gz XUWKYBWRQAHTBR-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1nnc(CSc2ccc(C)cn2)n1C ZINC000194693049 387889375 /nfs/dbraw/zinc/88/93/75/387889375.db2.gz UCNFXOXWCLPSIZ-UHFFFAOYSA-N 0 0 248.355 2.373 10 0 BEAERN N#Cc1c(F)ccc(OC(F)(F)F)c1CO ZINC000575650054 387889438 /nfs/dbraw/zinc/88/94/38/387889438.db2.gz VRCOBRFXMXVMHK-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000452725889 387899825 /nfs/dbraw/zinc/89/98/25/387899825.db2.gz FFWBXJGMXGUYEP-GRYCIOLGSA-N 0 0 241.375 2.431 10 0 BEAERN OCc1ccc(OC(F)F)c(C(F)F)c1O ZINC000575652153 387900498 /nfs/dbraw/zinc/90/04/98/387900498.db2.gz KQZRSJLGHYYHND-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN OCc1cc(O)c(OC(F)F)c(C(F)F)c1 ZINC000575652067 387901242 /nfs/dbraw/zinc/90/12/42/387901242.db2.gz KCLQHNDYCHOSEG-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN CC(C)n1nnnc1CNc1cccc(F)c1 ZINC000194981551 387901751 /nfs/dbraw/zinc/90/17/51/387901751.db2.gz SVLKRTQONFISNO-UHFFFAOYSA-N 0 0 235.266 2.005 10 0 BEAERN CC(C)n1nnnc1CNc1ccc(F)cc1 ZINC000194981171 387902122 /nfs/dbraw/zinc/90/21/22/387902122.db2.gz VEHJYYQKPUMOME-UHFFFAOYSA-N 0 0 235.266 2.005 10 0 BEAERN CO[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000055005810 387916230 /nfs/dbraw/zinc/91/62/30/387916230.db2.gz DZXVBTGOUNEKGH-HTQZYQBOSA-N 0 0 243.253 2.177 10 0 BEAERN CCn1cc(CN2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245545910 387959299 /nfs/dbraw/zinc/95/92/99/387959299.db2.gz UQBYBNRPJXSVNR-ZIAGYGMSSA-N 0 0 249.358 2.046 10 0 BEAERN CC[C@H](CSC)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245614350 387967555 /nfs/dbraw/zinc/96/75/55/387967555.db2.gz USWKBODVVNSAQX-MXWKQRLJSA-N 0 0 245.388 2.154 10 0 BEAERN CC[C@H](CSC)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000245614347 387968032 /nfs/dbraw/zinc/96/80/32/387968032.db2.gz USWKBODVVNSAQX-GMTAPVOTSA-N 0 0 245.388 2.154 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000245662104 387971093 /nfs/dbraw/zinc/97/10/93/387971093.db2.gz FYUCHECQURKZIJ-YFKTTZPYSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1ccc2c(ncc3c2OCCOC3=O)c1C ZINC000053994754 387976847 /nfs/dbraw/zinc/97/68/47/387976847.db2.gz MOHCRDCGMZGKQL-UHFFFAOYSA-N 0 0 243.262 2.401 10 0 BEAERN CNC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000045637035 387990438 /nfs/dbraw/zinc/99/04/38/387990438.db2.gz RSDIRWYCIWUNON-HBNTYKKESA-N 0 0 212.337 2.376 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](C)CC2)O1 ZINC000245952602 387995406 /nfs/dbraw/zinc/99/54/06/387995406.db2.gz BISMPRRAUDLKDY-UTUOFQBUSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[C@@H](C)C[C@@H]2C)O1 ZINC000246054042 388004537 /nfs/dbraw/zinc/00/45/37/388004537.db2.gz QIUFVWBNCYKGGU-MOLYVOAJSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246131350 388012112 /nfs/dbraw/zinc/01/21/12/388012112.db2.gz ZPAXXTJWMPICOX-WZRBSPASSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@@H](Nc1ccc2nccnc2n1)[C@H]1CCCO1 ZINC000083419966 388051205 /nfs/dbraw/zinc/05/12/05/388051205.db2.gz LKSIJQPPXRRGOS-MWLCHTKSSA-N 0 0 244.298 2.004 10 0 BEAERN CC[C@H]1CCCCN1Cc1nnc(C2CC2)n1C ZINC000195007278 388081998 /nfs/dbraw/zinc/08/19/98/388081998.db2.gz ZAJDHDCOWSWRPS-LBPRGKRZSA-N 0 0 248.374 2.457 10 0 BEAERN CC1(CNC(=O)C[C@H]2CCCCO2)CCC1 ZINC000119144936 388110176 /nfs/dbraw/zinc/11/01/76/388110176.db2.gz VDOVPRGEIHHRES-LLVKDONJSA-N 0 0 225.332 2.252 10 0 BEAERN CC1(CNC(=O)C[C@@H]2CCCCO2)CCC1 ZINC000119144847 388110405 /nfs/dbraw/zinc/11/04/05/388110405.db2.gz VDOVPRGEIHHRES-NSHDSACASA-N 0 0 225.332 2.252 10 0 BEAERN CC[C@@](O)(c1cccs1)[C@@H]1CCOC1 ZINC000306667680 388112675 /nfs/dbraw/zinc/11/26/75/388112675.db2.gz JQOQYJJTBKQDTO-KOLCDFICSA-N 0 0 212.314 2.382 10 0 BEAERN CCn1c2ccccc2nc1[S@@](C)(=N)=O ZINC000521399868 256516541 /nfs/dbraw/zinc/51/65/41/256516541.db2.gz WFGBJNZLMJQHBC-HNNXBMFYSA-N 0 0 223.301 2.092 10 0 BEAERN Cc1ccncc1N[C@@H](C)[C@H]1CCOC1 ZINC000162946206 388254960 /nfs/dbraw/zinc/25/49/60/388254960.db2.gz VMXLNZHIMYDRKN-QWRGUYRKSA-N 0 0 206.289 2.227 10 0 BEAERN Cc1nc(Cc2nc(N)cs2)cs1 ZINC000131861150 388353079 /nfs/dbraw/zinc/35/30/79/388353079.db2.gz RQWITGKJYMMXRF-UHFFFAOYSA-N 0 0 211.315 2.081 10 0 BEAERN CC(C)(C)c1cccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1 ZINC000067173307 388404955 /nfs/dbraw/zinc/40/49/55/388404955.db2.gz PPYHOIPPICQNPJ-OLZOCXBDSA-N 0 0 247.338 2.372 10 0 BEAERN CC(C)N(C(=O)N[C@H](C)[C@@H]1CCCO1)C1CC1 ZINC000175856778 388443702 /nfs/dbraw/zinc/44/37/02/388443702.db2.gz NPFLBEMZJSUFSK-PWSUYJOCSA-N 0 0 240.347 2.136 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CCC1CCCC1 ZINC000336233792 388456575 /nfs/dbraw/zinc/45/65/75/388456575.db2.gz MDAQTJFNDDQMRG-WCQYABFASA-N 0 0 239.359 2.329 10 0 BEAERN CCCCNc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000057342943 388460177 /nfs/dbraw/zinc/46/01/77/388460177.db2.gz XSBTUQQVKXBCCM-UHFFFAOYSA-N 0 0 235.209 2.001 10 0 BEAERN CC(C)C(=O)N1CCOC[C@@H]1Cc1ccccc1 ZINC000074907717 388462137 /nfs/dbraw/zinc/46/21/37/388462137.db2.gz QLFOWKGOICAJEM-AWEZNQCLSA-N 0 0 247.338 2.113 10 0 BEAERN CCc1ccc(O)c(OC(F)F)c1CO ZINC000575654137 388474937 /nfs/dbraw/zinc/47/49/37/388474937.db2.gz VRMRHMLCVZVQGD-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN C[C@@H](NC(N)=O)c1ccc(F)c(Cl)c1 ZINC000194033982 388475225 /nfs/dbraw/zinc/47/52/25/388475225.db2.gz YWKJJUIXDSIQTF-RXMQYKEDSA-N 0 0 216.643 2.208 10 0 BEAERN CC(C)NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000014048135 388407511 /nfs/dbraw/zinc/40/75/11/388407511.db2.gz LFRSKZXKNBPEFB-UHFFFAOYSA-N 0 0 247.298 2.484 10 0 BEAERN O=Cc1cc(-c2cnccn2)ccc1F ZINC000069048768 388412919 /nfs/dbraw/zinc/41/29/19/388412919.db2.gz DXDRUTCBEAWOLQ-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN COc1nccc(CNc2cscc2C)n1 ZINC000295714766 388413246 /nfs/dbraw/zinc/41/32/46/388413246.db2.gz NCRBPJRPHFPDGJ-UHFFFAOYSA-N 0 0 235.312 2.467 10 0 BEAERN CCc1ccccc1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000295868628 388414680 /nfs/dbraw/zinc/41/46/80/388414680.db2.gz CQCYYTDKWCNVBO-RISCZKNCSA-N 0 0 247.338 2.234 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cn[nH]n2)cc1C ZINC000296279410 388420602 /nfs/dbraw/zinc/42/06/02/388420602.db2.gz KVOKGNGEFWCLDR-LLVKDONJSA-N 0 0 230.315 2.272 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)c2ccnnc2)[C@H]1C ZINC000245660740 388426669 /nfs/dbraw/zinc/42/66/69/388426669.db2.gz MYPDODLGAVICNO-SCVCMEIPSA-N 0 0 233.315 2.031 10 0 BEAERN CC(C)(C(=O)N[C@H]1CCCC[C@H]1O)C1CCC1 ZINC000322232823 388429086 /nfs/dbraw/zinc/42/90/86/388429086.db2.gz YJSBQYOAURUBGX-NWDGAFQWSA-N 0 0 239.359 2.232 10 0 BEAERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)N(C)C ZINC000041424168 388435803 /nfs/dbraw/zinc/43/58/03/388435803.db2.gz LPDYRJPGMIDCQW-AAEUAGOBSA-N 0 0 248.326 2.130 10 0 BEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C(C)(C)C ZINC000175734423 388438977 /nfs/dbraw/zinc/43/89/77/388438977.db2.gz KRGLRSVVECSXKQ-VIFPVBQESA-N 0 0 243.347 2.221 10 0 BEAERN COC(=O)c1coc(-c2ccc(F)cc2)n1 ZINC000066054906 388547590 /nfs/dbraw/zinc/54/75/90/388547590.db2.gz DBAOBCFFEKYUQI-UHFFFAOYSA-N 0 0 221.187 2.267 10 0 BEAERN COCc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)o1 ZINC000135230209 388485688 /nfs/dbraw/zinc/48/56/88/388485688.db2.gz DPTCVRSUSSRZBT-UWVGGRQHSA-N 0 0 237.299 2.439 10 0 BEAERN c1csc([C@H](Nc2cnccn2)C2CC2)n1 ZINC000135313841 388490733 /nfs/dbraw/zinc/49/07/33/388490733.db2.gz ZAXUAKQOBPRRBK-SNVBAGLBSA-N 0 0 232.312 2.496 10 0 BEAERN CC(C)(CC(=O)NC[C@H]1CCC[C@H]1O)C1CC1 ZINC000340910161 388492488 /nfs/dbraw/zinc/49/24/88/388492488.db2.gz DHAMWFSJNFYHRB-ZYHUDNBSSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1ncccc1Cl ZINC000528523372 388500504 /nfs/dbraw/zinc/50/05/04/388500504.db2.gz XFQVSGLXYFAZFS-SKDRFNHKSA-N 0 0 240.734 2.080 10 0 BEAERN CC(C)c1nnc(NCC(C)(C)CO)s1 ZINC000135596307 388501138 /nfs/dbraw/zinc/50/11/38/388501138.db2.gz PSUAYJCKCYOWCS-UHFFFAOYSA-N 0 0 229.349 2.092 10 0 BEAERN CC(C)COCCNc1cncc(Cl)n1 ZINC000136168899 388524431 /nfs/dbraw/zinc/52/44/31/388524431.db2.gz FMFHVTRWJXXCJF-UHFFFAOYSA-N 0 0 229.711 2.215 10 0 BEAERN C[C@@](O)(c1ccc(C=O)cc1)c1cccnc1 ZINC000082293811 388587150 /nfs/dbraw/zinc/58/71/50/388587150.db2.gz XDYQVHHLNLCCMO-CQSZACIVSA-N 0 0 227.263 2.150 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000186069405 388597965 /nfs/dbraw/zinc/59/79/65/388597965.db2.gz NCXDWRDFXNQXCF-QWRGUYRKSA-N 0 0 242.363 2.288 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C)[C@H](C)C2)O1 ZINC000245920272 388610551 /nfs/dbraw/zinc/61/05/51/388610551.db2.gz NSCOMJKIGZCJAN-IRCOFANPSA-N 0 0 225.332 2.058 10 0 BEAERN CCC[C@@H]1SCCN1C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246014476 388613769 /nfs/dbraw/zinc/61/37/69/388613769.db2.gz LPBQXDRAPZSGBT-VWYCJHECSA-N 0 0 243.372 2.256 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000188919591 388613741 /nfs/dbraw/zinc/61/37/41/388613741.db2.gz AJQAFIVAGNPVKP-SDDRHHMPSA-N 0 0 227.348 2.354 10 0 BEAERN NC(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000221262208 388584225 /nfs/dbraw/zinc/58/42/25/388584225.db2.gz ISRSNXPDOYIFHU-UHFFFAOYSA-N 0 0 237.262 2.100 10 0 BEAERN Cc1cc(CO)ccc1OCC(F)(F)F ZINC000223226154 388584632 /nfs/dbraw/zinc/58/46/32/388584632.db2.gz CGPIJHANAPMIMO-UHFFFAOYSA-N 0 0 220.190 2.428 10 0 BEAERN Cc1cc(C)nc(N[C@H]2CCC[C@@]2(C)CO)n1 ZINC000301442360 388586119 /nfs/dbraw/zinc/58/61/19/388586119.db2.gz JACDVDDTONCGTL-AAEUAGOBSA-N 0 0 235.331 2.056 10 0 BEAERN CCN(CC)C(=O)NC[C@@H](C)C(C)C ZINC000125408518 388671631 /nfs/dbraw/zinc/67/16/31/388671631.db2.gz UNBNPKHCKYXADP-SNVBAGLBSA-N 0 0 200.326 2.330 10 0 BEAERN CC(C)[C@@H](C)CNc1cnn(C)c(=O)c1Cl ZINC000125390317 388672532 /nfs/dbraw/zinc/67/25/32/388672532.db2.gz SXEPIGWQSDIJER-QMMMGPOBSA-N 0 0 243.738 2.138 10 0 BEAERN CC(C)c1nnc(NC[C@H]2CCC[C@H]2O)s1 ZINC000301767382 388677468 /nfs/dbraw/zinc/67/74/68/388677468.db2.gz OEPFGMWBAYVDKI-RKDXNWHRSA-N 0 0 241.360 2.234 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000642618482 388620223 /nfs/dbraw/zinc/62/02/23/388620223.db2.gz RZJNVSQHWRZKQN-HBNTYKKESA-N 0 0 228.336 2.042 10 0 BEAERN [NH3+][C@@H](CCF)c1ccc(F)c(F)c1F ZINC000575439783 388630104 /nfs/dbraw/zinc/63/01/04/388630104.db2.gz YGABBYPGDMVHCA-ZETCQYMHSA-N 0 0 207.170 2.463 10 0 BEAERN CSCCC(=O)N(C)Cc1ccc(O)cc1 ZINC000037999573 388651602 /nfs/dbraw/zinc/65/16/02/388651602.db2.gz LQEZNGCOVZCZTC-UHFFFAOYSA-N 0 0 239.340 2.104 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000247375360 388663409 /nfs/dbraw/zinc/66/34/09/388663409.db2.gz DVMXVXABJAAQHO-ZNSHCXBVSA-N 0 0 210.321 2.225 10 0 BEAERN CCc1ccc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000124686929 388664522 /nfs/dbraw/zinc/66/45/22/388664522.db2.gz IKJGDVFFYVCWTA-VIFPVBQESA-N 0 0 213.346 2.123 10 0 BEAERN Nc1nnc(C2CCC(C(F)(F)F)CC2)o1 ZINC000127065034 388699443 /nfs/dbraw/zinc/69/94/43/388699443.db2.gz UJKKWELSAOPFPG-UHFFFAOYSA-N 0 0 235.209 2.488 10 0 BEAERN Nc1nnc([C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000129486207 388699671 /nfs/dbraw/zinc/69/96/71/388699671.db2.gz SOPMGZYDIAZLBQ-NTSWFWBYSA-N 0 0 235.209 2.488 10 0 BEAERN CC(C)(C)OC(=O)C1CCC2(CO2)CC1 ZINC000521398943 388703327 /nfs/dbraw/zinc/70/33/27/388703327.db2.gz RETJLOIXVGBOIJ-UHFFFAOYSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ccc(CNCc2cccc(C)n2)nc1 ZINC000126991525 388710691 /nfs/dbraw/zinc/71/06/91/388710691.db2.gz UNSPPSOZBUDGQZ-UHFFFAOYSA-N 0 0 227.311 2.383 10 0 BEAERN CC[C@H](SC)C(=O)NCc1cccc(C)n1 ZINC000126996458 388710888 /nfs/dbraw/zinc/71/08/88/388710888.db2.gz ACOFRHASAJWRCR-NSHDSACASA-N 0 0 238.356 2.148 10 0 BEAERN CC(C)OC(=O)NC[C@@]1(C)CCCS1 ZINC000127586774 388727247 /nfs/dbraw/zinc/72/72/47/388727247.db2.gz JKLSGVJPWSGLHJ-SNVBAGLBSA-N 0 0 217.334 2.407 10 0 BEAERN CNc1nc2ccc3ncccc3c2n1C ZINC000013282263 388730202 /nfs/dbraw/zinc/73/02/02/388730202.db2.gz HKYDQRBTHFIOJG-UHFFFAOYSA-N 0 0 212.256 2.163 10 0 in-vitro BEAERN Cc1ncc(C(=O)[C@@H]2CCSC2)s1 ZINC000575450578 388733878 /nfs/dbraw/zinc/73/38/78/388733878.db2.gz LNGBIJYQFUYGFD-SSDOTTSWSA-N 0 0 213.327 2.387 10 0 BEAERN COC(=O)[C@](C)(N)c1ccc(Cl)cc1Cl ZINC000037459601 388843280 /nfs/dbraw/zinc/84/32/80/388843280.db2.gz GMEFQZBCOUTHEW-SNVBAGLBSA-N 0 0 248.109 2.340 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC000230175975 388818909 /nfs/dbraw/zinc/81/89/09/388818909.db2.gz PPAXPTABRBKRBN-NXEZZACHSA-N 0 0 225.332 2.154 10 0 BEAERN CN[C@H](C(=O)OC)c1c(Cl)cccc1Cl ZINC000037458361 388844345 /nfs/dbraw/zinc/84/43/45/388844345.db2.gz KXNSULPGZWTCJJ-VIFPVBQESA-N 0 0 248.109 2.427 10 0 BEAERN CC(F)(F)C1(c2nc(Cl)no2)CC1 ZINC000575465270 388836572 /nfs/dbraw/zinc/83/65/72/388836572.db2.gz DTQSQOHVCQGDDZ-UHFFFAOYSA-N 0 0 208.595 2.410 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1O ZINC000231694929 388841885 /nfs/dbraw/zinc/84/18/85/388841885.db2.gz SKXWCQOPFHIKRZ-MWLCHTKSSA-N 0 0 219.284 2.311 10 0 BEAERN CC1CC(Nc2cnn(C)c2Br)C1 ZINC000575478352 388858650 /nfs/dbraw/zinc/85/86/50/388858650.db2.gz BMFYVJLETJMXJP-UHFFFAOYSA-N 0 0 244.136 2.393 10 0 BEAERN CC(C)n1nccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000337202140 388849465 /nfs/dbraw/zinc/84/94/65/388849465.db2.gz GPCJYVNYSFHBCL-YPMHNXCESA-N 0 0 237.347 2.121 10 0 BEAERN Cc1ccc(-c2cc(C)nc(N)n2)s1 ZINC000052837923 177683192 /nfs/dbraw/zinc/68/31/92/177683192.db2.gz MSXUTFZACDEHBX-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1ccc(C(=O)NC[C@H](O)C(C)(C)C)cc1C ZINC000268649270 389003533 /nfs/dbraw/zinc/00/35/33/389003533.db2.gz DCRCVVZZTFQMJN-ZDUSSCGKSA-N 0 0 249.354 2.440 10 0 BEAERN CC[C@@H]1Sc2ccc(N)cc2N(C)C1=O ZINC000057352822 132301609 /nfs/dbraw/zinc/30/16/09/132301609.db2.gz GXIGUPKRAOJCQL-VIFPVBQESA-N 0 0 222.313 2.116 10 0 BEAERN Cc1ccc(N2CCCCC2=O)c(N)c1 ZINC000037064703 132343220 /nfs/dbraw/zinc/34/32/20/132343220.db2.gz MIWDLLAZQOGORL-UHFFFAOYSA-N 0 0 204.273 2.094 10 0 BEAERN Cc1ccc(N)cc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000053734390 132363519 /nfs/dbraw/zinc/36/35/19/132363519.db2.gz LPAADLNWSXVAFU-PHIMTYICSA-N 0 0 220.316 2.191 10 0 BEAERN CCN(C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000117600405 169678334 /nfs/dbraw/zinc/67/83/34/169678334.db2.gz FGJXLJJOHGGXMG-NSHDSACASA-N 0 0 233.311 2.421 10 0 BEAERN Nc1cc(Cl)ccc1C(=O)Nc1cnoc1 ZINC000061685071 1172695523 /nfs/dbraw/zinc/69/55/23/1172695523.db2.gz ATXFEKIWNAUQBY-UHFFFAOYSA-N 0 0 237.646 2.163 10 0 BEAERN CCN(CC(C)C)C(=O)Nc1nncs1 ZINC000047497853 322831166 /nfs/dbraw/zinc/83/11/66/322831166.db2.gz UDZRVLJDRGLFJI-UHFFFAOYSA-N 0 0 228.321 2.048 10 0 BEAERN CC(C)CCCNc1ncccc1C(N)=O ZINC000026719649 166819661 /nfs/dbraw/zinc/81/96/61/166819661.db2.gz TUXFPOAJYNEOFS-UHFFFAOYSA-N 0 0 221.304 2.029 10 0 BEAERN C[C@@H]1CN(C)c2cc(N)cc(Cl)c2O1 ZINC000062525815 132240152 /nfs/dbraw/zinc/24/01/52/132240152.db2.gz AKRSKTIBFHDALB-ZCFIWIBFSA-N 0 0 212.680 2.139 10 0 BEAERN C[C@@H](N)c1nnc(N2CCCc3ccccc32)o1 ZINC000011570397 132243794 /nfs/dbraw/zinc/24/37/94/132243794.db2.gz AYOIVRRVSQUPOD-SECBINFHSA-N 0 0 244.298 2.174 10 0 BEAERN CC1CCN(c2ccc(CO)cc2)CC1 ZINC000026513690 132293350 /nfs/dbraw/zinc/29/33/50/132293350.db2.gz VEKNOLRAHIMUGS-UHFFFAOYSA-N 0 0 205.301 2.415 10 0 BEAERN C[C@H]1CCCCN1c1nc2ccccc2[nH]c1=O ZINC000040351494 132296202 /nfs/dbraw/zinc/29/62/02/132296202.db2.gz WLUHPJUEWYKNNJ-JTQLQIEISA-N 0 0 243.310 2.302 10 0 BEAERN CCc1nc(C)c(CC)c(N2CCC(=O)CC2)n1 ZINC000045951251 132299511 /nfs/dbraw/zinc/29/95/11/132299511.db2.gz WPHUXKNBRMYXHM-UHFFFAOYSA-N 0 0 247.342 2.079 10 0 BEAERN Cc1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000001650562 132314495 /nfs/dbraw/zinc/31/44/95/132314495.db2.gz HDWQEIDJLZGCLQ-UHFFFAOYSA-N 0 0 233.311 2.338 10 0 BEAERN CCCCCN1c2ccc(N)cc2OCC1=O ZINC000011568805 132319756 /nfs/dbraw/zinc/31/97/56/132319756.db2.gz QCXZYBLFUONRAW-UHFFFAOYSA-N 0 0 234.299 2.184 10 0 BEAERN NC(=S)CCCN1C(=O)CCc2ccccc21 ZINC000019434141 132325259 /nfs/dbraw/zinc/32/52/59/132325259.db2.gz WKMQRUSPFYZMLU-UHFFFAOYSA-N 0 0 248.351 2.032 10 0 BEAERN CC[C@H]1CCCCN1c1ccc(N)nc1 ZINC000019952646 132329119 /nfs/dbraw/zinc/32/91/19/132329119.db2.gz QOMXYEBAGOFPCR-JTQLQIEISA-N 0 0 205.305 2.433 10 0 BEAERN Nc1nc2ccccc2c(N2CCCCC2)n1 ZINC000028759565 132334444 /nfs/dbraw/zinc/33/44/44/132334444.db2.gz GYLFMDIALRDNES-UHFFFAOYSA-N 0 0 228.299 2.202 10 0 BEAERN C[C@H]1CCc2ccccc2N1C(=O)CC(N)=S ZINC000034956370 132337338 /nfs/dbraw/zinc/33/73/38/132337338.db2.gz HFFDCJDIRIOFAC-VIFPVBQESA-N 0 0 248.351 2.031 10 0 BEAERN COC(=O)[C@@H](C)CN1CCCc2ccccc21 ZINC000035148516 132337491 /nfs/dbraw/zinc/33/74/91/132337491.db2.gz BQKPMCGGRKEMGV-NSHDSACASA-N 0 0 233.311 2.248 10 0 BEAERN Cc1cc(N2C[C@@H](C)O[C@H](C)C2)ccc1N ZINC000035082271 132337568 /nfs/dbraw/zinc/33/75/68/132337568.db2.gz UBAVWGNHNORRIO-GHMZBOCLSA-N 0 0 220.316 2.191 10 0 BEAERN C[C@@H](O)c1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000035650423 132338774 /nfs/dbraw/zinc/33/87/74/132338774.db2.gz DIJONVMIVXLWPM-IJLUTSLNSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@@H](O)c1cc(F)ccc1N1CCO[C@H](C)C1 ZINC000035631149 132338882 /nfs/dbraw/zinc/33/88/82/132338882.db2.gz LPIJVCNYPWJXGL-NXEZZACHSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@@H](O)c1c(F)cccc1N1CCO[C@H](C)C1 ZINC000035631145 132338903 /nfs/dbraw/zinc/33/89/03/132338903.db2.gz JWTOABAKLQJUNQ-NXEZZACHSA-N 0 0 239.290 2.104 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1ccccc1N ZINC000036131848 132339933 /nfs/dbraw/zinc/33/99/33/132339933.db2.gz ONTUWNSXVAVIPC-QWRGUYRKSA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@H]1CCCN(c2ccc(C(N)=S)cn2)C1 ZINC000036170029 132340326 /nfs/dbraw/zinc/34/03/26/132340326.db2.gz DFGJYSPLLDYNOF-JTQLQIEISA-N 0 0 249.383 2.342 10 0 BEAERN CC[C@@H]1CN(c2ccc(F)cc2C=O)CCO1 ZINC000036770176 132342776 /nfs/dbraw/zinc/34/27/76/132342776.db2.gz UOJBWPOJFACRNF-GFCCVEGCSA-N 0 0 237.274 2.253 10 0 BEAERN CCOc1nc(N2CCCCC2)ccc1N ZINC000037066375 132343303 /nfs/dbraw/zinc/34/33/03/132343303.db2.gz NZUKSUPPQFFPSN-UHFFFAOYSA-N 0 0 221.304 2.053 10 0 BEAERN CC[C@H]1CN(c2cccc(F)c2N)CCO1 ZINC000037419708 132344468 /nfs/dbraw/zinc/34/44/68/132344468.db2.gz DFYVHLUBEWZICL-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN C[C@H]1CN(c2cccc(F)c2N)C[C@H](C)O1 ZINC000037419001 132344596 /nfs/dbraw/zinc/34/45/96/132344596.db2.gz MFJCDEMQZTYEJL-IUCAKERBSA-N 0 0 224.279 2.022 10 0 BEAERN CC[C@H]1CCCCN1c1ncnc(Cl)c1N ZINC000040571767 132348163 /nfs/dbraw/zinc/34/81/63/132348163.db2.gz JLKOAEZDDJVBIB-QMMMGPOBSA-N 0 0 240.738 2.481 10 0 BEAERN Nc1cc(Cl)ccc1N1CCCC[C@H]1CO ZINC000042432128 132352021 /nfs/dbraw/zinc/35/20/21/132352021.db2.gz DQNRHPCGAZDPFO-JTQLQIEISA-N 0 0 240.734 2.273 10 0 BEAERN Cc1ccc(N2CCOCC2(C)C)c(N)c1 ZINC000042461661 132352274 /nfs/dbraw/zinc/35/22/74/132352274.db2.gz FCKUQTFBVNOGBW-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Brc1ccnc(N2CCCCC2)n1 ZINC000044116813 132353599 /nfs/dbraw/zinc/35/35/99/132353599.db2.gz VVOLUXHAQXXLDT-UHFFFAOYSA-N 0 0 242.120 2.229 10 0 BEAERN CC(C)OCCN1CCCc2cccc(N)c21 ZINC000049261230 132356094 /nfs/dbraw/zinc/35/60/94/132356094.db2.gz WJSVVSNDRDEEDZ-UHFFFAOYSA-N 0 0 234.343 2.446 10 0 BEAERN COCc1cccc(N2CCC(=O)[C@H](C)C2)c1 ZINC000049693854 132356465 /nfs/dbraw/zinc/35/64/65/132356465.db2.gz LNAHIFMOELQMTC-LLVKDONJSA-N 0 0 233.311 2.248 10 0 BEAERN COc1nc(N2CCC[C@@H](C)[C@H]2C)ccc1N ZINC000050564076 132359081 /nfs/dbraw/zinc/35/90/81/132359081.db2.gz RJDBCGSMLCWHNV-NXEZZACHSA-N 0 0 235.331 2.297 10 0 BEAERN COc1nc(N2CCC[C@H](C)[C@H]2C)ccc1N ZINC000050564077 132359092 /nfs/dbraw/zinc/35/90/92/132359092.db2.gz RJDBCGSMLCWHNV-VHSXEESVSA-N 0 0 235.331 2.297 10 0 BEAERN Cc1cc(CO)ccc1N1C[C@H](C)OC(C)(C)C1 ZINC000050561360 132359140 /nfs/dbraw/zinc/35/91/40/132359140.db2.gz YYQUGSHACFERHP-LBPRGKRZSA-N 0 0 249.354 2.491 10 0 BEAERN Cc1cc(N2C[C@H](C)OC(C)(C)C2)ccc1CO ZINC000050583440 132359284 /nfs/dbraw/zinc/35/92/84/132359284.db2.gz HTCONIVTVLNXAY-LBPRGKRZSA-N 0 0 249.354 2.491 10 0 BEAERN COCCCN1CCCc2ccc(N)cc21 ZINC000051296825 132359869 /nfs/dbraw/zinc/35/98/69/132359869.db2.gz IWYIZKUUXKQQTE-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN Cc1ccc(N)cc1N1CCCC[C@H]1CCO ZINC000053734434 132363698 /nfs/dbraw/zinc/36/36/98/132363698.db2.gz KMKVFOLFLAJNAX-ZDUSSCGKSA-N 0 0 234.343 2.319 10 0 BEAERN Nc1cccc2c1CCCN2Cc1ncccn1 ZINC000054461441 132364781 /nfs/dbraw/zinc/36/47/81/132364781.db2.gz BZTWILVSSGVVFV-UHFFFAOYSA-N 0 0 240.310 2.012 10 0 BEAERN Cc1cc(N2CCCC[C@H]2CCO)ccc1N ZINC000057454355 132365962 /nfs/dbraw/zinc/36/59/62/132365962.db2.gz HWABGQBKZWMQDZ-LBPRGKRZSA-N 0 0 234.343 2.319 10 0 BEAERN CC[C@H]1CCCCN1c1ccc(N)cc1C(N)=O ZINC000058479317 132368463 /nfs/dbraw/zinc/36/84/63/132368463.db2.gz PQCNJRZUVYSNLO-NSHDSACASA-N 0 0 247.342 2.137 10 0 BEAERN Cc1c(N)cccc1N1CCOCC1(C)C ZINC000062724895 132388890 /nfs/dbraw/zinc/38/88/90/132388890.db2.gz AYDDUNSWJAUFEZ-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(C)c(N2CCOCC2)c(C)c1N ZINC000066054577 132390532 /nfs/dbraw/zinc/39/05/32/132390532.db2.gz HXEBPVWVIKTZGX-UHFFFAOYSA-N 0 0 220.316 2.031 10 0 BEAERN c1ccc2c(c1)NC[C@H]1CSCCN21 ZINC000082378432 132414332 /nfs/dbraw/zinc/41/43/32/132414332.db2.gz MGRZNLBHVMTDOY-VIFPVBQESA-N 0 0 206.314 2.034 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@@H]1CCO[C@H]1C ZINC000408442841 133493676 /nfs/dbraw/zinc/49/36/76/133493676.db2.gz LPFDGDONIOJWBC-WDEREUQCSA-N 0 0 242.363 2.145 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCC[C@H]1CCCO ZINC000164460291 133598863 /nfs/dbraw/zinc/59/88/63/133598863.db2.gz JADHHDBEILWSAB-NEPJUHHUSA-N 0 0 227.348 2.186 10 0 BEAERN Cc1ccc(C(=O)N2CC(=O)CC2(C)C)s1 ZINC000334257590 133600850 /nfs/dbraw/zinc/60/08/50/133600850.db2.gz QNZWOOIEIWSNTD-UHFFFAOYSA-N 0 0 237.324 2.250 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000230079070 133666822 /nfs/dbraw/zinc/66/68/22/133666822.db2.gz IXDYWLOQQAJUFJ-SKDRFNHKSA-N 0 0 239.340 2.301 10 0 BEAERN CC1(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)CCC1 ZINC000334751018 133731708 /nfs/dbraw/zinc/73/17/08/133731708.db2.gz MLOZXTYQGXIGBL-NEPJUHHUSA-N 0 0 249.354 2.204 10 0 BEAERN CC1(C)CC(=O)CN1C(=O)CC1CC(F)(F)C1 ZINC000335271593 133825619 /nfs/dbraw/zinc/82/56/19/133825619.db2.gz ZOMBTRMYIURRFG-UHFFFAOYSA-N 0 0 245.269 2.002 10 0 BEAERN C[C@H]1CN(C(=O)N[C@H]2CCC2(C)C)CCS1 ZINC000335957484 134023813 /nfs/dbraw/zinc/02/38/13/134023813.db2.gz AUIHCBFUFSIOIH-UWVGGRQHSA-N 0 0 242.388 2.322 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1occ2c1CCC2 ZINC000335974641 134030750 /nfs/dbraw/zinc/03/07/50/134030750.db2.gz ZEKAVKVXGAATLE-NXEZZACHSA-N 0 0 249.310 2.018 10 0 BEAERN CC1(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000336110469 134086255 /nfs/dbraw/zinc/08/62/55/134086255.db2.gz MVOVOHUVXLYJDF-NEPJUHHUSA-N 0 0 237.343 2.347 10 0 BEAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)C(C)C ZINC000171579741 134259153 /nfs/dbraw/zinc/25/91/53/134259153.db2.gz URNRKXNJVJTLTG-RYUDHWBXSA-N 0 0 242.363 2.241 10 0 BEAERN Cc1cc(NC(=O)N[C@@H](C)CC2CC2)n(C)n1 ZINC000171846740 134260814 /nfs/dbraw/zinc/26/08/14/134260814.db2.gz RUSRVFBJZKRAGB-QMMMGPOBSA-N 0 0 236.319 2.039 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000172163212 134262279 /nfs/dbraw/zinc/26/22/79/134262279.db2.gz YDYDGEOTNLFKOT-UZWSLXQKSA-N 0 0 249.310 2.333 10 0 BEAERN CSCC(=O)N1CCC[C@H]1c1ccco1 ZINC000172242460 134264697 /nfs/dbraw/zinc/26/46/97/134264697.db2.gz ZJXQYBFFEVYTLF-VIFPVBQESA-N 0 0 225.313 2.306 10 0 BEAERN C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCO1 ZINC000175522749 134287732 /nfs/dbraw/zinc/28/77/32/134287732.db2.gz VHMYQHOAHTZMIV-CMPLNLGQSA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1ncncc1Cl ZINC000175805730 134289329 /nfs/dbraw/zinc/28/93/29/134289329.db2.gz VCCSHADTLLFIMT-JGVFFNPUSA-N 0 0 241.722 2.294 10 0 BEAERN C[C@@H]([NH2+][C@@H](C)C1CC1)c1nnc2n1CCCC2 ZINC000177386762 134297536 /nfs/dbraw/zinc/29/75/36/134297536.db2.gz UQFHGNZCXRRBQU-VHSXEESVSA-N 0 0 234.347 2.064 10 0 BEAERN C[C@@H]([NH2+][C@H](C)C1CC1)c1nnc2n1CCCC2 ZINC000177386788 134297859 /nfs/dbraw/zinc/29/78/59/134297859.db2.gz UQFHGNZCXRRBQU-NXEZZACHSA-N 0 0 234.347 2.064 10 0 BEAERN C[C@@H](CCc1ccccc1)SC[C@H](O)CO ZINC000177448942 134298106 /nfs/dbraw/zinc/29/81/06/134298106.db2.gz RLFZQSMJALCEGE-WCQYABFASA-N 0 0 240.368 2.094 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2c(O)cccc2O)C1 ZINC000220252870 134301882 /nfs/dbraw/zinc/30/18/82/134301882.db2.gz PSYZHONCVZHJIO-SNVBAGLBSA-N 0 0 249.310 2.216 10 0 BEAERN C[C@@H](C1CC1)N(C(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000178050885 134302602 /nfs/dbraw/zinc/30/26/02/134302602.db2.gz XNQMTTHPIMMZFC-NRUUGDAUSA-N 0 0 237.343 2.343 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCCC2CCCC2)O1 ZINC000178013448 134302762 /nfs/dbraw/zinc/30/27/62/134302762.db2.gz MZJBFUGPKSBRPN-CMPLNLGQSA-N 0 0 225.332 2.250 10 0 BEAERN CC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178300142 134306085 /nfs/dbraw/zinc/30/60/85/134306085.db2.gz KGWSATNJGDPOEY-OCCSQVGLSA-N 0 0 247.338 2.197 10 0 BEAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358239 134309008 /nfs/dbraw/zinc/30/90/08/134309008.db2.gz PJRCCJMNJZDAKC-ONGXEEELSA-N 0 0 232.287 2.057 10 0 BEAERN COCc1ccccc1NC1CC(OC)C1 ZINC000220637010 134311603 /nfs/dbraw/zinc/31/16/03/134311603.db2.gz BYEPLLRUXVEURV-UHFFFAOYSA-N 0 0 221.300 2.422 10 0 BEAERN CCC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178668179 134312535 /nfs/dbraw/zinc/31/25/35/134312535.db2.gz HXAOBXHRZVTQGA-OLZOCXBDSA-N 0 0 247.338 2.197 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccn(C)c2)o1 ZINC000220950554 134314935 /nfs/dbraw/zinc/31/49/35/134314935.db2.gz CTWGKDCTCHNVOR-JTQLQIEISA-N 0 0 219.288 2.172 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H]2CCCCO2)o1 ZINC000220921485 134315059 /nfs/dbraw/zinc/31/50/59/134315059.db2.gz FEETVVHPCHFIKZ-QWRGUYRKSA-N 0 0 224.304 2.203 10 0 BEAERN Cc1cnc([C@@H](C)NCc2cccnc2)o1 ZINC000220879464 134316566 /nfs/dbraw/zinc/31/65/66/134316566.db2.gz MDEMSMSZKJNSMX-SNVBAGLBSA-N 0 0 217.272 2.229 10 0 BEAERN O=C(C1CCCC1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179341411 134320080 /nfs/dbraw/zinc/32/00/80/134320080.db2.gz XZFQEDAGMOGKEQ-LLVKDONJSA-N 0 0 248.330 2.049 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H]1CC12CCCCC2 ZINC000180677649 134330754 /nfs/dbraw/zinc/33/07/54/134330754.db2.gz QDQJJVCQSNGDSW-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC23CCCCC3)O1 ZINC000180709738 134331370 /nfs/dbraw/zinc/33/13/70/134331370.db2.gz WFPJTYNPMLDZJP-IJLUTSLNSA-N 0 0 237.343 2.393 10 0 BEAERN Cc1nccc(C[NH2+]CCCCOC(C)C)n1 ZINC000224990987 134352409 /nfs/dbraw/zinc/35/24/09/134352409.db2.gz WJSKPLAYTGGBCW-UHFFFAOYSA-N 0 0 237.347 2.080 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)COC(C)(C)C ZINC000226516598 134363974 /nfs/dbraw/zinc/36/39/74/134363974.db2.gz PPHBVNPBBNZFQB-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)NC(C)(C)C)o1 ZINC000226535928 134364410 /nfs/dbraw/zinc/36/44/10/134364410.db2.gz ISUPUZWHLLTQGA-QMMMGPOBSA-N 0 0 225.292 2.142 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2ccccc2O)o1 ZINC000226617007 134367923 /nfs/dbraw/zinc/36/79/23/134367923.db2.gz GENUJCJVXNZGHQ-SECBINFHSA-N 0 0 246.266 2.180 10 0 BEAERN CC(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000184823822 134369235 /nfs/dbraw/zinc/36/92/35/134369235.db2.gz BXUVGHOLYYPCNV-AVGNSLFASA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000185196143 134372619 /nfs/dbraw/zinc/37/26/19/134372619.db2.gz RUIHJUYRLXHVTR-SRVKXCTJSA-N 0 0 227.348 2.352 10 0 BEAERN CC(C)CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077206035 134410106 /nfs/dbraw/zinc/41/01/06/134410106.db2.gz JOEAPRXGXHAMFS-RYUDHWBXSA-N 0 0 227.348 2.090 10 0 BEAERN CCN(CC(C)C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188299986 134512808 /nfs/dbraw/zinc/51/28/08/134512808.db2.gz GGQYJMRGPQTPAP-NWDGAFQWSA-N 0 0 227.348 2.306 10 0 BEAERN Cc1cnc([C@H](C)NCc2nccs2)o1 ZINC000230647893 134517525 /nfs/dbraw/zinc/51/75/25/134517525.db2.gz OINWWJIVNUDBOL-QMMMGPOBSA-N 0 0 223.301 2.290 10 0 BEAERN NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190056287 134557312 /nfs/dbraw/zinc/55/73/12/134557312.db2.gz GQPLJPHTKSGTIK-QMMMGPOBSA-N 0 0 240.253 2.223 10 0 BEAERN O=C(c1ccc(F)cc1)N1CCC[C@]12CCOC2 ZINC000310892750 134600808 /nfs/dbraw/zinc/60/08/08/134600808.db2.gz ZKIWQJYLUBAMEC-CQSZACIVSA-N 0 0 249.285 2.221 10 0 BEAERN CC(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000048749835 134624827 /nfs/dbraw/zinc/62/48/27/134624827.db2.gz OTYQNLKKELCPBM-GFCCVEGCSA-N 0 0 246.354 2.382 10 0 BEAERN COCc1ccccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000131599497 134631726 /nfs/dbraw/zinc/63/17/26/134631726.db2.gz IYRCYULZFPOBNA-GXFFZTMASA-N 0 0 249.310 2.339 10 0 BEAERN C[C@H](CC(=O)NCc1ccco1)c1cccnc1 ZINC000062620380 134809956 /nfs/dbraw/zinc/80/99/56/134809956.db2.gz ZSAOBZKFMYHXRC-LLVKDONJSA-N 0 0 244.294 2.485 10 0 BEAERN CCc1nnc(COc2ccccc2F)n1C ZINC000194654548 134827226 /nfs/dbraw/zinc/82/72/26/134827226.db2.gz HTGRRDSGXOMQJC-UHFFFAOYSA-N 0 0 235.262 2.096 10 0 BEAERN Cn1nccc1C1CCN(CC(F)(F)F)CC1 ZINC000195504508 134843311 /nfs/dbraw/zinc/84/33/11/134843311.db2.gz JLAGJSOAYDTUKA-UHFFFAOYSA-N 0 0 247.264 2.162 10 0 BEAERN C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000245975611 134874254 /nfs/dbraw/zinc/87/42/54/134874254.db2.gz GCWNIJCJDYMBAJ-CKYFFXLPSA-N 0 0 237.299 2.367 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000180677600 134915513 /nfs/dbraw/zinc/91/55/13/134915513.db2.gz QDQJJVCQSNGDSW-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000074468298 134944974 /nfs/dbraw/zinc/94/49/74/134944974.db2.gz DMIHLMIOEGGBGD-XQHKEYJVSA-N 0 0 247.342 2.139 10 0 BEAERN CCC(=O)Nc1n[nH]c2cccc(F)c21 ZINC000082274892 134947811 /nfs/dbraw/zinc/94/78/11/134947811.db2.gz XQGWXPDYWXLXMK-UHFFFAOYSA-N 0 0 207.208 2.051 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000247264185 134976834 /nfs/dbraw/zinc/97/68/34/134976834.db2.gz YXSKNFIKIUREGE-GARJFASQSA-N 0 0 245.388 2.059 10 0 BEAERN CC[C@@H]1CN(C(=O)N[C@H](C)C(C)C)C[C@@H](C)O1 ZINC000247484576 134982946 /nfs/dbraw/zinc/98/29/46/134982946.db2.gz KIIUEAFKPGXGEY-IJLUTSLNSA-N 0 0 242.363 2.240 10 0 BEAERN CC(C)C[C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000248391663 135001136 /nfs/dbraw/zinc/00/11/36/135001136.db2.gz JPHAUMUEEMHYTK-UTUOFQBUSA-N 0 0 227.348 2.304 10 0 BEAERN C[C@H](CCO)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248519158 135002723 /nfs/dbraw/zinc/00/27/23/135002723.db2.gz AWWJXBYJMRJJNH-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCOC2)CC(C)(C)C1 ZINC000248555209 135003598 /nfs/dbraw/zinc/00/35/98/135003598.db2.gz LKVGATXFKNDEGY-WOPDTQHZSA-N 0 0 239.359 2.354 10 0 BEAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000248829123 135023056 /nfs/dbraw/zinc/02/30/56/135023056.db2.gz HSIHRDHCABGCII-NDBYEHHHSA-N 0 0 239.359 2.496 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000248883645 135024854 /nfs/dbraw/zinc/02/48/54/135024854.db2.gz RWFLTSANRSDCKT-AVGNSLFASA-N 0 0 241.375 2.336 10 0 BEAERN C/C=C(\CC)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000248889390 135025227 /nfs/dbraw/zinc/02/52/27/135025227.db2.gz IYTCXVYJRXZNPP-ZZIPRTSTSA-N 0 0 223.316 2.026 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000249301063 135042868 /nfs/dbraw/zinc/04/28/68/135042868.db2.gz DETLOAWWCGFOBJ-GARJFASQSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(CC)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000077206956 135059483 /nfs/dbraw/zinc/05/94/83/135059483.db2.gz ASKCSFRLHGTYKO-VXGBXAGGSA-N 0 0 227.348 2.090 10 0 BEAERN CCC(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077207528 135059528 /nfs/dbraw/zinc/05/95/28/135059528.db2.gz BRIYMOZLIAKCBY-QWRGUYRKSA-N 0 0 227.348 2.090 10 0 BEAERN CCCCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077206973 135059714 /nfs/dbraw/zinc/05/97/14/135059714.db2.gz HGNHXAAGNVBMAB-RYUDHWBXSA-N 0 0 227.348 2.234 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C1CCCCC1 ZINC000077207633 135059847 /nfs/dbraw/zinc/05/98/47/135059847.db2.gz ATMWQJKXUJQFLT-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000077367521 135062850 /nfs/dbraw/zinc/06/28/50/135062850.db2.gz XPLICTSRQHZLPV-PHIMTYICSA-N 0 0 246.310 2.437 10 0 BEAERN Cc1cccc(OCCN2[C@H](C)COC[C@@H]2C)c1 ZINC000077370440 135063346 /nfs/dbraw/zinc/06/33/46/135063346.db2.gz HOFHMVHLNGLKTK-OKILXGFUSA-N 0 0 249.354 2.483 10 0 BEAERN FC(F)(F)CN[C@@H]1CCOC2(CCC2)C1 ZINC000086901680 135101738 /nfs/dbraw/zinc/10/17/38/135101738.db2.gz JSSFEYDJXNUDHI-MRVPVSSYSA-N 0 0 223.238 2.240 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000253281254 135125600 /nfs/dbraw/zinc/12/56/00/135125600.db2.gz WNYVBKZWWGGYTD-NDBYEHHHSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCCCC(C)(C)CO ZINC000345036351 135196302 /nfs/dbraw/zinc/19/63/02/135196302.db2.gz XXTRRIWCYVZQEJ-RYUDHWBXSA-N 0 0 241.375 2.338 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCCCC(C)(C)CO ZINC000345036352 135196554 /nfs/dbraw/zinc/19/65/54/135196554.db2.gz XXTRRIWCYVZQEJ-VXGBXAGGSA-N 0 0 241.375 2.338 10 0 BEAERN CCc1ccc(CN2CC(O)(CC)C2)cc1 ZINC000084360148 135214128 /nfs/dbraw/zinc/21/41/28/135214128.db2.gz NOOWUWRAODMDPE-UHFFFAOYSA-N 0 0 219.328 2.206 10 0 BEAERN Nc1cccc2c1CCCN2CCOCC1CC1 ZINC000261778769 135252508 /nfs/dbraw/zinc/25/25/08/135252508.db2.gz NQVAEUJETJFBEX-UHFFFAOYSA-N 0 0 246.354 2.448 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1sccc1F ZINC000334276659 135332509 /nfs/dbraw/zinc/33/25/09/135332509.db2.gz CWZZXIKEOQEDQP-YUMQZZPRSA-N 0 0 243.303 2.137 10 0 BEAERN Cc1ccc2c(c1)[C@H]([NH+]1CC(C(=O)[O-])C1)[C@@H](C)C2 ZINC000263524481 135358147 /nfs/dbraw/zinc/35/81/47/135358147.db2.gz SQKOLNHFTJIJQD-IINYFYTJSA-N 0 0 245.322 2.245 10 0 BEAERN C[C@@H]1CN(C(=O)c2sccc2F)C[C@@H](C)O1 ZINC000334334054 135362422 /nfs/dbraw/zinc/36/24/22/135362422.db2.gz WIFGYVVIGFWMJN-HTQZYQBOSA-N 0 0 243.303 2.137 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CCC(C)(C)C)C1 ZINC000335100379 135408771 /nfs/dbraw/zinc/40/87/71/135408771.db2.gz SHABYPIFHJMPII-GHMZBOCLSA-N 0 0 227.348 2.042 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000335385150 135412303 /nfs/dbraw/zinc/41/23/03/135412303.db2.gz VAUIREQSUPKOHV-QWRGUYRKSA-N 0 0 241.375 2.288 10 0 BEAERN O=C(c1ccc[nH]1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000082277651 135432620 /nfs/dbraw/zinc/43/26/20/135432620.db2.gz AFBBZOYEUAXHCO-LBPRGKRZSA-N 0 0 244.298 2.105 10 0 BEAERN CC[C@@H](C)c1noc(C[C@H](O)C(C)C)n1 ZINC000082563092 135439097 /nfs/dbraw/zinc/43/90/97/135439097.db2.gz JAOMVARMINWRES-BDAKNGLRSA-N 0 0 212.293 2.143 10 0 BEAERN Nc1ccc(C(=O)N2CCC[C@@H]2C2CC2)cc1 ZINC000083936308 135461952 /nfs/dbraw/zinc/46/19/52/135461952.db2.gz SKAMTEAABSMMCI-CYBMUJFWSA-N 0 0 230.311 2.283 10 0 BEAERN O=C(CC1=CCCCC1)NC[C@@H]1CCC[C@@H]1O ZINC000089163132 135532918 /nfs/dbraw/zinc/53/29/18/135532918.db2.gz SAYZYYOFIRBSJA-STQMWFEESA-N 0 0 237.343 2.154 10 0 BEAERN Cn1c(CSCC2CC2)nnc1C1CC1 ZINC000091036782 135558633 /nfs/dbraw/zinc/55/86/33/135558633.db2.gz TYRRVFSPHQJKGF-UHFFFAOYSA-N 0 0 223.345 2.336 10 0 BEAERN FC1(F)CCN(c2cnc3c(n2)CCCC3)C1 ZINC000334933844 135844798 /nfs/dbraw/zinc/84/47/98/135844798.db2.gz NKEDGXZLHBQLIM-UHFFFAOYSA-N 0 0 239.269 2.201 10 0 BEAERN CC1(C)CC[C@@H](n2cnc3[nH]ccc3c2=O)C1 ZINC000335300226 136023594 /nfs/dbraw/zinc/02/35/94/136023594.db2.gz FOYZOCSUYCCMBV-SECBINFHSA-N 0 0 231.299 2.476 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)[C@H](C)C(C)C ZINC000103387433 397779455 /nfs/dbraw/zinc/77/94/55/397779455.db2.gz IVTLXURUPNLLFO-WDEREUQCSA-N 0 0 215.337 2.162 10 0 BEAERN COC[C@@H](C)C(=O)NC1(C)CCC(C)CC1 ZINC000103389965 397779460 /nfs/dbraw/zinc/77/94/60/397779460.db2.gz FHWCBDIXTHMUKK-QWKFWESOSA-N 0 0 227.348 2.354 10 0 BEAERN CCc1ccc(-c2nn(C)cc2CO)cc1 ZINC000031885713 397865192 /nfs/dbraw/zinc/86/51/92/397865192.db2.gz NJIYEQOGLNVMSO-UHFFFAOYSA-N 0 0 216.284 2.142 10 0 BEAERN Cc1noc([Si](C)(C)C)c1Br ZINC000170030628 397821210 /nfs/dbraw/zinc/82/12/10/397821210.db2.gz DIPMZZKTVORQSQ-UHFFFAOYSA-N 0 0 234.169 2.291 10 0 BEAERN Cc1csc(C(=O)NCC[C@@H]2CCCO2)c1 ZINC000382276883 397927553 /nfs/dbraw/zinc/92/75/53/397927553.db2.gz NWNIGNZRPISGLW-JTQLQIEISA-N 0 0 239.340 2.355 10 0 BEAERN CCn1ccc2ccn(C[C@@H]3CCCO3)c(=O)c21 ZINC000065224793 397941822 /nfs/dbraw/zinc/94/18/22/397941822.db2.gz XJPFJVWCAGWPAF-LBPRGKRZSA-N 0 0 246.310 2.002 10 0 BEAERN Cc1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000382396248 397946382 /nfs/dbraw/zinc/94/63/82/397946382.db2.gz NYYLFXCYZDEPIH-HBNTYKKESA-N 0 0 203.289 2.386 10 0 BEAERN CC(C)c1nc2c(NC(=O)C3CC3)cccn2n1 ZINC000065283630 397961274 /nfs/dbraw/zinc/96/12/74/397961274.db2.gz KARRRAMKAGSAFH-UHFFFAOYSA-N 0 0 244.298 2.201 10 0 BEAERN CCCc1cc(NC(=O)[C@@H](C)CSC)n[nH]1 ZINC000110847982 397905333 /nfs/dbraw/zinc/90/53/33/397905333.db2.gz NVGNMYPSMJQKIR-QMMMGPOBSA-N 0 0 241.360 2.300 10 0 BEAERN CCN1CCc2ccccc2[C@@H]1c1ncccn1 ZINC000616678183 397921447 /nfs/dbraw/zinc/92/14/47/397921447.db2.gz BACHKSVIEXSECH-CQSZACIVSA-N 0 0 239.322 2.444 10 0 BEAERN Cc1csc(NCC2SCCS2)n1 ZINC000575467464 397992472 /nfs/dbraw/zinc/99/24/72/397992472.db2.gz QJQJXVIGYJPERW-UHFFFAOYSA-N 0 0 232.399 2.091 10 0 BEAERN COC(=O)Cc1cc(OC)cc(Cl)c1OC ZINC000259718006 397993318 /nfs/dbraw/zinc/99/33/18/397993318.db2.gz ATOHCYOFIDUEQR-UHFFFAOYSA-N 0 0 244.674 2.073 10 0 BEAERN Cc1nc(N)sc1SCc1cn[nH]c1 ZINC000307182957 398013708 /nfs/dbraw/zinc/01/37/08/398013708.db2.gz WOIKHMUQYOSMHQ-UHFFFAOYSA-N 0 0 226.330 2.049 10 0 BEAERN CC(C)Oc1nc(F)ncc1Br ZINC000575599424 398018944 /nfs/dbraw/zinc/01/89/44/398018944.db2.gz QBAIJFCJNKJWJS-UHFFFAOYSA-N 0 0 235.056 2.165 10 0 BEAERN Cc1nnc(Cl)n1CC1SCCS1 ZINC000575599346 398018971 /nfs/dbraw/zinc/01/89/71/398018971.db2.gz CPHAFPYQLRXOFV-UHFFFAOYSA-N 0 0 235.765 2.046 10 0 BEAERN CCOc1cnn(-c2cccc(Cl)n2)c1 ZINC000307191232 398019711 /nfs/dbraw/zinc/01/97/11/398019711.db2.gz YYROJWBSUZSKAL-UHFFFAOYSA-N 0 0 223.663 2.319 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCCC[C@@H](CO)C1 ZINC000365078389 398020801 /nfs/dbraw/zinc/02/08/01/398020801.db2.gz UNVRNEYLBCDJOM-VXGBXAGGSA-N 0 0 227.348 2.044 10 0 BEAERN Cc1nn(Cc2cccc(F)c2F)c(C)c1N ZINC000036888619 398022097 /nfs/dbraw/zinc/02/20/97/398022097.db2.gz IWGRYVKJNQTRPZ-UHFFFAOYSA-N 0 0 237.253 2.409 10 0 BEAERN C[C@@H](Nc1cnn(C)c1Br)C1CC1 ZINC000575480737 398022758 /nfs/dbraw/zinc/02/27/58/398022758.db2.gz ZICKCLDXXFHJRQ-ZCFIWIBFSA-N 0 0 244.136 2.393 10 0 BEAERN CCOC(=O)c1ccc(OC)c(F)c1OC ZINC000259995356 398038930 /nfs/dbraw/zinc/03/89/30/398038930.db2.gz IPOAFYCLJXIIDY-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN CCOc1cc(C)c(OC(F)F)cc1CO ZINC000575658734 398040973 /nfs/dbraw/zinc/04/09/73/398040973.db2.gz VJIZOHLYGCQLCM-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CC[C@@H](C)Nc1nc(F)ncc1Br ZINC000575519060 397976789 /nfs/dbraw/zinc/97/67/89/397976789.db2.gz DPHJKDUPVRGPDI-RXMQYKEDSA-N 0 0 248.099 2.011 10 0 BEAERN Cc1c[nH]c(N(C)Cc2ccccc2)n1 ZINC000307088018 397978955 /nfs/dbraw/zinc/97/89/55/397978955.db2.gz MBDVOITYEJVUQT-UHFFFAOYSA-N 0 0 201.273 2.355 10 0 BEAERN CCc1ccc(-c2nc(C(C)=O)c[nH]2)o1 ZINC000307134298 397986443 /nfs/dbraw/zinc/98/64/43/397986443.db2.gz NZNLOAYLJKLZCT-UHFFFAOYSA-N 0 0 204.229 2.435 10 0 BEAERN CCOC(=O)c1cc(N)cc(O)c1C(F)(F)F ZINC000575725762 398068820 /nfs/dbraw/zinc/06/88/20/398068820.db2.gz VLMQUSXQRPZDBG-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCOC(=O)c1c(O)cc(N)cc1C(F)(F)F ZINC000575724582 398068837 /nfs/dbraw/zinc/06/88/37/398068837.db2.gz KIDHBFMVLSQZSH-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Nc1ccc(C(=O)c2cc[nH]c2)cc1Cl ZINC000135068460 398075086 /nfs/dbraw/zinc/07/50/86/398075086.db2.gz YGHUNEANHKQRNZ-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1ccccc1CO ZINC000616612497 398075348 /nfs/dbraw/zinc/07/53/48/398075348.db2.gz JRUUDLWLVOGCOG-CYBMUJFWSA-N 0 0 249.310 2.472 10 0 BEAERN CC(=O)O[C@H]1C=C[C@H]2OCCC[C@H]2CC1 ZINC000584658142 398081925 /nfs/dbraw/zinc/08/19/25/398081925.db2.gz OKMPUSRTFWNZKU-QJPTWQEYSA-N 0 0 210.273 2.063 10 0 BEAERN CC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)(C)C ZINC000584658144 398081938 /nfs/dbraw/zinc/08/19/38/398081938.db2.gz OLEOTNXGEZDRAV-DTWKUNHWSA-N 0 0 227.304 2.426 10 0 BEAERN COC[C@H]1CC(=O)c2ccsc2S1 ZINC000584639628 398084043 /nfs/dbraw/zinc/08/40/43/398084043.db2.gz WODGNJYEJKGCBY-ZCFIWIBFSA-N 0 0 214.311 2.442 10 0 BEAERN C=Cc1c(Cl)cccc1OS(C)(=O)=O ZINC000584645986 398085738 /nfs/dbraw/zinc/08/57/38/398085738.db2.gz KHKROLXZCBSKRR-UHFFFAOYSA-N 0 0 232.688 2.321 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000245415699 398115616 /nfs/dbraw/zinc/11/56/16/398115616.db2.gz DMIHLMIOEGGBGD-YVECIDJPSA-N 0 0 247.342 2.139 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000245415697 398115819 /nfs/dbraw/zinc/11/58/19/398115819.db2.gz DMIHLMIOEGGBGD-MROQNXINSA-N 0 0 247.342 2.139 10 0 BEAERN COC(=O)c1cc(Cl)c(F)cc1OC ZINC000261026551 398118534 /nfs/dbraw/zinc/11/85/34/398118534.db2.gz DXJYCYYSYPKELG-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000245415698 398115304 /nfs/dbraw/zinc/11/53/04/398115304.db2.gz DMIHLMIOEGGBGD-VOAKCMCISA-N 0 0 247.342 2.139 10 0 BEAERN Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccnc1 ZINC000136046095 398131498 /nfs/dbraw/zinc/13/14/98/398131498.db2.gz DOWUULUJLBXKGT-UHFFFAOYSA-N 0 0 244.298 2.489 10 0 BEAERN CC(C)COC(=O)N(C)Cc1ccccc1N ZINC000035360782 167021065 /nfs/dbraw/zinc/02/10/65/167021065.db2.gz BJIMXUZNUUMBAI-UHFFFAOYSA-N 0 0 236.315 2.493 10 0 BEAERN CC(C)COC(=O)N(C)c1cccc(N)c1 ZINC000041022600 167021327 /nfs/dbraw/zinc/02/13/27/167021327.db2.gz IKSPVKWOANIBSR-UHFFFAOYSA-N 0 0 222.288 2.498 10 0 BEAERN CC(C)NC(=O)CNc1ccc(F)c(Cl)c1 ZINC000032101905 167062099 /nfs/dbraw/zinc/06/20/99/167062099.db2.gz UIIIOEVSLZQBAI-UHFFFAOYSA-N 0 0 244.697 2.416 10 0 BEAERN CC(C)NC(=O)Nc1cc(N)c(F)cc1F ZINC000036744315 167076842 /nfs/dbraw/zinc/07/68/42/167076842.db2.gz MEKLRGLQYQNLFC-UHFFFAOYSA-N 0 0 229.230 2.077 10 0 BEAERN COc1ccc(Br)c(N)c1F ZINC000075843653 175050810 /nfs/dbraw/zinc/05/08/10/175050810.db2.gz NPYDTHSKDKWXLN-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CC(C)Nc1ncc(N)cc1Br ZINC000036244907 167149710 /nfs/dbraw/zinc/14/97/10/167149710.db2.gz BBHFYFQJVFCCRM-UHFFFAOYSA-N 0 0 230.109 2.247 10 0 BEAERN CCc1cc(N2CCC[C@H]2CCCO)nc(C)n1 ZINC000088760739 322889120 /nfs/dbraw/zinc/88/91/20/322889120.db2.gz BOVIBHRBINOMKQ-ZDUSSCGKSA-N 0 0 249.358 2.089 10 0 BEAERN CC(C)OCC(=O)Nc1cc(N)ccc1Cl ZINC000037275038 167192620 /nfs/dbraw/zinc/19/26/20/167192620.db2.gz UFBWEVXHMABTPJ-UHFFFAOYSA-N 0 0 242.706 2.286 10 0 BEAERN CC(C)OCC1(C)COC(C(C)C)OC1 ZINC000002015478 167194006 /nfs/dbraw/zinc/19/40/06/167194006.db2.gz BIBPEWWZUOEEMJ-UHFFFAOYSA-N 0 0 216.321 2.447 10 0 BEAERN CCN(C)c1noc(-c2cccc(C)c2O)n1 ZINC000228227634 487600572 /nfs/dbraw/zinc/60/05/72/487600572.db2.gz UYYJICRQKDYZKV-UHFFFAOYSA-N 0 0 233.271 2.207 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2ncccc2C(=O)[O-])[C@H](C)C1 ZINC000305904382 487604383 /nfs/dbraw/zinc/60/43/83/487604383.db2.gz CFJBOXTZLZSSLT-GHMZBOCLSA-N 0 0 248.326 2.400 10 0 BEAERN COc1ccccc1C1(NC(=O)C2CC2)CC1 ZINC000041571196 409834531 /nfs/dbraw/zinc/83/45/31/409834531.db2.gz BEDOWIQDIJFWRW-UHFFFAOYSA-N 0 0 231.295 2.211 10 0 BEAERN Fc1ccc(NCCOC2CCOCC2)cc1 ZINC000053590847 409951158 /nfs/dbraw/zinc/95/11/58/409951158.db2.gz BYEOWRDSOVHROY-UHFFFAOYSA-N 0 0 239.290 2.433 10 0 BEAERN Brc1cc(-c2ncco2)ccn1 ZINC000095709611 166096221 /nfs/dbraw/zinc/09/62/21/166096221.db2.gz YWXFVQGNAPEHDB-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cc(-c2ccccn2)ncn1 ZINC000044119121 166096228 /nfs/dbraw/zinc/09/62/28/166096228.db2.gz KDNMUCASPQDVIC-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1c[nH]c(-c2cccnc2)n1 ZINC000095829458 166095624 /nfs/dbraw/zinc/09/56/24/166095624.db2.gz SVEIKLMWDJOBFG-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Brc1cc([C@H]2CCOC2)ccn1 ZINC000044121965 166096016 /nfs/dbraw/zinc/09/60/16/166096016.db2.gz WEVOZNQIMUACFJ-QMMMGPOBSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1ccc(-c2ncncn2)cc1 ZINC000082548263 166097007 /nfs/dbraw/zinc/09/70/07/166097007.db2.gz UYYNISZZEVRNCF-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccc([C@@H]2COCCN2)s1 ZINC000041300292 166099621 /nfs/dbraw/zinc/09/96/21/166099621.db2.gz ZREBUDRRNSWOJT-LURJTMIESA-N 0 0 248.145 2.172 10 0 BEAERN Brc1cccc(O[C@@H]2CCOC2)n1 ZINC000044117253 166101707 /nfs/dbraw/zinc/10/17/07/166101707.db2.gz UPAMJVZHARZDPW-SSDOTTSWSA-N 0 0 244.088 2.012 10 0 BEAERN Brc1ccnc(-c2ccncc2)n1 ZINC000071546880 166102739 /nfs/dbraw/zinc/10/27/39/166102739.db2.gz FAFUSDAXSMRPIM-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccnc(-c2ncco2)c1 ZINC000095709604 166103436 /nfs/dbraw/zinc/10/34/36/166103436.db2.gz YGRTVMPUWYWZFA-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccccc1[C@@H]1NCCO1 ZINC000071533578 166103599 /nfs/dbraw/zinc/10/35/99/166103599.db2.gz HIOYDESBNOJHQT-SECBINFHSA-N 0 0 228.089 2.068 10 0 BEAERN Brc1cncc(-c2cscn2)n1 ZINC000044120248 166104874 /nfs/dbraw/zinc/10/48/74/166104874.db2.gz ZSYDAZSSENNUAD-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Brc1cncc(-c2ccoc2)n1 ZINC000044119999 166105063 /nfs/dbraw/zinc/10/50/63/166105063.db2.gz JWQPBTYNXMPGOJ-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cnc(OC2CC2)s1 ZINC000095775841 166105082 /nfs/dbraw/zinc/10/50/82/166105082.db2.gz MVUNPIWLEMALCU-UHFFFAOYSA-N 0 0 220.091 2.447 10 0 BEAERN Brc1csc(-n2cccn2)n1 ZINC000044116794 166106750 /nfs/dbraw/zinc/10/67/50/166106750.db2.gz ZMHOPPPPWGACHM-UHFFFAOYSA-N 0 0 230.090 2.091 10 0 BEAERN Brc1cnccc1[C@H]1CCO1 ZINC000091691959 166106870 /nfs/dbraw/zinc/10/68/70/166106870.db2.gz VPIZREIUBOZHKD-MRVPVSSYSA-N 0 0 214.062 2.306 10 0 BEAERN CC(=O)CN1CCC2=Cc3ccccc3[C@@H]2C1 ZINC000142028053 410519938 /nfs/dbraw/zinc/51/99/38/410519938.db2.gz RXGJGHYDSPLJQC-OAHLLOKOSA-N 0 0 227.307 2.462 10 0 BEAERN CCN(CC)C(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117562195 169759264 /nfs/dbraw/zinc/75/92/64/169759264.db2.gz QSXWAJLNKMRCQY-GWCFXTLKSA-N 0 0 233.311 2.420 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)cnc1F ZINC000095762223 166443483 /nfs/dbraw/zinc/44/34/83/166443483.db2.gz RUMDCASYYNAQBY-UHFFFAOYSA-N 0 0 207.126 2.442 10 0 BEAERN CC(C(=O)NCCn1cc(C)cn1)=C1CCCC1 ZINC000176650122 166496305 /nfs/dbraw/zinc/49/63/05/166496305.db2.gz AMVVRPWKMPCDHE-UHFFFAOYSA-N 0 0 247.342 2.198 10 0 BEAERN CC(C)(C)N1C(=O)N[C@@H](C2CCCCC2)C1=O ZINC000038037160 166609094 /nfs/dbraw/zinc/60/90/94/166609094.db2.gz SHPQEBIOQVCXDW-JTQLQIEISA-N 0 0 238.331 2.286 10 0 BEAERN COC[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000171509058 410691955 /nfs/dbraw/zinc/69/19/55/410691955.db2.gz GYCAYYWHMDFKRY-RYUDHWBXSA-N 0 0 247.338 2.415 10 0 BEAERN CC(C)(C)OC(=O)N1Cc2cccnc2C(=O)C1 ZINC000095763517 166642828 /nfs/dbraw/zinc/64/28/28/166642828.db2.gz DZXRGYRDZJHFRD-UHFFFAOYSA-N 0 0 248.282 2.015 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2[nH]ccc2C1 ZINC000098091085 166655005 /nfs/dbraw/zinc/65/50/05/166655005.db2.gz UNZQCIQMMSQIKM-UHFFFAOYSA-N 0 0 222.288 2.308 10 0 BEAERN CC(C)C(=O)Nc1nc2cc(N)ccc2s1 ZINC000020980651 166732321 /nfs/dbraw/zinc/73/23/21/166732321.db2.gz MGBDNSAADFEWCJ-UHFFFAOYSA-N 0 0 235.312 2.473 10 0 BEAERN Cc1ncn(C[C@H]2CCC[C@@H](O)C2)c1C ZINC000308883008 410785829 /nfs/dbraw/zinc/78/58/29/410785829.db2.gz FNVAECVRVVMLDX-NWDGAFQWSA-N 0 0 208.305 2.051 10 0 BEAERN CC(C)CCNc1nccnc1N(C)C ZINC000302187576 166870433 /nfs/dbraw/zinc/87/04/33/166870433.db2.gz JBEDJTPBTBTIPS-UHFFFAOYSA-N 0 0 208.309 2.001 10 0 BEAERN CC(C)COC1CCN(C(=O)C2(C)CC2)CC1 ZINC000125348485 167022345 /nfs/dbraw/zinc/02/23/45/167022345.db2.gz TUKQUNAMYCTMFL-UHFFFAOYSA-N 0 0 239.359 2.450 10 0 BEAERN CC(C)[N@@H+]1C[C@@H](C(=O)[O-])C2(C1)CCCCC2 ZINC000008698599 167027576 /nfs/dbraw/zinc/02/75/76/167027576.db2.gz RIIWICRRFQSDLO-NSHDSACASA-N 0 0 225.332 2.362 10 0 BEAERN CC(C)[N@@H+]1C[C@H](C(=O)[O-])C2(C1)CCCCC2 ZINC000008698598 167034050 /nfs/dbraw/zinc/03/40/50/167034050.db2.gz RIIWICRRFQSDLO-LLVKDONJSA-N 0 0 225.332 2.362 10 0 BEAERN CC(C)[NH2+]Cc1cnc(COc2ccccc2)[nH]1 ZINC000062821333 167116461 /nfs/dbraw/zinc/11/64/61/167116461.db2.gz ZBTRDPLSGCJDKY-UHFFFAOYSA-N 0 0 245.326 2.487 10 0 BEAERN CC(C)[NH2+][C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000037183150 167136614 /nfs/dbraw/zinc/13/66/14/167136614.db2.gz LJDGKIGORKMYMN-JTQLQIEISA-N 0 0 229.226 2.089 10 0 BEAERN CC(C)Nc1ccc(-c2nncn2C)cc1 ZINC000036972451 167145338 /nfs/dbraw/zinc/14/53/38/167145338.db2.gz MPASOADRXRNRTH-UHFFFAOYSA-N 0 0 216.288 2.302 10 0 BEAERN CC(C)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000128673584 167146934 /nfs/dbraw/zinc/14/69/34/167146934.db2.gz WAVLQMBIRRZDNY-LLVKDONJSA-N 0 0 218.300 2.110 10 0 BEAERN CC(C)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000128673791 167148340 /nfs/dbraw/zinc/14/83/40/167148340.db2.gz WAVLQMBIRRZDNY-NSHDSACASA-N 0 0 218.300 2.110 10 0 BEAERN CC(C)Nc1nc2ccccc2n2cnnc12 ZINC000004910771 167149750 /nfs/dbraw/zinc/14/97/50/167149750.db2.gz XFWPLYABTZBENI-UHFFFAOYSA-N 0 0 227.271 2.098 10 0 BEAERN CC(C)Nc1nnc([C@H]2CCCO2)s1 ZINC000041651097 167151265 /nfs/dbraw/zinc/15/12/65/167151265.db2.gz YLXAAHILGZEMCH-SSDOTTSWSA-N 0 0 213.306 2.210 10 0 BEAERN CC(C)OC(=O)CNc1cc(F)cc(F)c1F ZINC000061095769 167159148 /nfs/dbraw/zinc/15/91/48/167159148.db2.gz KCTCFNRRALLXLM-UHFFFAOYSA-N 0 0 247.216 2.467 10 0 BEAERN CC(C)OC(=O)NCCCc1nccs1 ZINC000296933858 167164523 /nfs/dbraw/zinc/16/45/23/167164523.db2.gz GGHHOILXQXFWRO-UHFFFAOYSA-N 0 0 228.317 2.210 10 0 BEAERN CC(C)OC(=O)c1ccc(-c2ncon2)cc1 ZINC000107363579 167172512 /nfs/dbraw/zinc/17/25/12/167172512.db2.gz NSWCPOVRWZDTKF-UHFFFAOYSA-N 0 0 232.239 2.302 10 0 BEAERN CC(C)OCCSc1ccncc1N ZINC000049259788 167250065 /nfs/dbraw/zinc/25/00/65/167250065.db2.gz SDYADEFCAUZQNP-UHFFFAOYSA-N 0 0 212.318 2.181 10 0 BEAERN CC(C)Oc1cc(C=O)ncc1OC1CC1 ZINC000095741763 167284672 /nfs/dbraw/zinc/28/46/72/167284672.db2.gz QPUYPUYRCDAZHP-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1cc(N[C@H]2C[C@@H]2C)ncn1 ZINC000085485767 167287317 /nfs/dbraw/zinc/28/73/17/167287317.db2.gz DXZQWDZVIGGYLJ-IUCAKERBSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1ccc([C@@H]2CNC(=O)O2)cc1 ZINC000075456322 167298734 /nfs/dbraw/zinc/29/87/34/167298734.db2.gz JESPPQAJKROGKH-NSHDSACASA-N 0 0 221.256 2.255 10 0 BEAERN CC(C)SCC(=O)Nc1ccc(F)cc1N ZINC000037685408 167321940 /nfs/dbraw/zinc/32/19/40/167321940.db2.gz HFHLDYMBZSTSTL-UHFFFAOYSA-N 0 0 242.319 2.488 10 0 BEAERN CC(C)SCc1ncc(CO)s1 ZINC000062201358 167335984 /nfs/dbraw/zinc/33/59/84/167335984.db2.gz CUVIPARKMNMGGV-UHFFFAOYSA-N 0 0 203.332 2.277 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000021061272 167344900 /nfs/dbraw/zinc/34/49/00/167344900.db2.gz BSOGBQNSKUXXGZ-NSHDSACASA-N 0 0 239.340 2.215 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@H+](Cc1ccco1)C1CC1 ZINC000042693087 167345734 /nfs/dbraw/zinc/34/57/34/167345734.db2.gz WPAQOWHTYAMAKG-LBPRGKRZSA-N 0 0 237.299 2.353 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CC[C@H]1CCCCO1 ZINC000110167152 167371659 /nfs/dbraw/zinc/37/16/59/167371659.db2.gz WIDAJISLZCROTK-VXGBXAGGSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(N)c1 ZINC000020523644 167377647 /nfs/dbraw/zinc/37/76/47/167377647.db2.gz FCVJTJBHXYGDIH-SECBINFHSA-N 0 0 221.304 2.435 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000050700688 167378547 /nfs/dbraw/zinc/37/85/47/167378547.db2.gz NYHNFWLKIHSTCQ-SSDOTTSWSA-N 0 0 241.722 2.092 10 0 BEAERN CC(C)[C@@H](C)Nc1ncccc1C(=O)[O-] ZINC000020304784 167386968 /nfs/dbraw/zinc/38/69/68/167386968.db2.gz NCGORCDMCVGPDX-MRVPVSSYSA-N 0 0 208.261 2.236 10 0 BEAERN CC(C)[C@@H](c1nc(-c2cccnc2)no1)[C@H](C)O ZINC000104055683 167463666 /nfs/dbraw/zinc/46/36/66/167463666.db2.gz NNNXJVOCBZPJDQ-GXSJLCMTSA-N 0 0 247.298 2.252 10 0 BEAERN Cc1ccc(CN2N=C3CCC[C@@H]3C2=O)cc1 ZINC000104707374 410947360 /nfs/dbraw/zinc/94/73/60/410947360.db2.gz WKDFXQZRJPABFI-LBPRGKRZSA-N 0 0 228.295 2.493 10 0 BEAERN CC(C)[S@@](=O)c1c(F)cc(N)cc1F ZINC000042198583 167546717 /nfs/dbraw/zinc/54/67/17/167546717.db2.gz NIPPGXXOQVXKTC-AWEZNQCLSA-N 0 0 219.256 2.063 10 0 BEAERN CC(C)c1ccc(CN2CCN[C@H](C)C2=O)cc1 ZINC000077403413 167596527 /nfs/dbraw/zinc/59/65/27/167596527.db2.gz MAUBIHXVRPOWGZ-GFCCVEGCSA-N 0 0 246.354 2.130 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H](O)CC[C@@H]2C)cs1 ZINC000399304665 411032926 /nfs/dbraw/zinc/03/29/26/411032926.db2.gz PTXSENDJJJVRMU-KWQFWETISA-N 0 0 239.340 2.042 10 0 BEAERN CC(C)c1ccccc1N[C@@H](C)CC(N)=O ZINC000041234275 167641115 /nfs/dbraw/zinc/64/11/15/167641115.db2.gz CBSFDTRIXHWIFO-JTQLQIEISA-N 0 0 220.316 2.486 10 0 BEAERN CN(C[C@H]1CCCOC1)c1ccccc1CO ZINC000111165200 411146561 /nfs/dbraw/zinc/14/65/61/411146561.db2.gz ZSSISMNBXZDCDZ-GFCCVEGCSA-N 0 0 235.327 2.042 10 0 BEAERN Cc1cccc(CN2N=C3CCC[C@H]3C2=O)c1 ZINC000109361932 411150396 /nfs/dbraw/zinc/15/03/96/411150396.db2.gz JEVGSCUORJZZGJ-GFCCVEGCSA-N 0 0 228.295 2.493 10 0 BEAERN CC(C)c1nc(COc2ccccc2N)no1 ZINC000049336923 167665144 /nfs/dbraw/zinc/66/51/44/167665144.db2.gz ACLULCCPQYLZPJ-UHFFFAOYSA-N 0 0 233.271 2.354 10 0 BEAERN CC(C)c1nn(C)cc1N[C@@H](C)c1cnn(C)c1 ZINC000280945314 167701148 /nfs/dbraw/zinc/70/11/48/167701148.db2.gz SVFBDLXBDJVKGH-JTQLQIEISA-N 0 0 247.346 2.450 10 0 BEAERN CC(C)c1nnc(N[C@@H]2CCO[C@H]2C)s1 ZINC000301876136 167712095 /nfs/dbraw/zinc/71/20/95/167712095.db2.gz GTKWYEKJTNTLDR-JGVFFNPUSA-N 0 0 227.333 2.251 10 0 BEAERN COC(=O)c1cccc2c1c(C)cn2C ZINC000197982226 411124034 /nfs/dbraw/zinc/12/40/34/411124034.db2.gz YBDBRFLLMBPRFO-UHFFFAOYSA-N 0 0 203.241 2.273 10 0 BEAERN Cc1cccc(CNC(=O)CCc2ccco2)n1 ZINC000048803605 411216095 /nfs/dbraw/zinc/21/60/95/411216095.db2.gz MCBPXHANILWKJF-UHFFFAOYSA-N 0 0 244.294 2.232 10 0 BEAERN CC(C)n1nnnc1-c1ccc(Cl)c(N)c1 ZINC000042014899 167803816 /nfs/dbraw/zinc/80/38/16/167803816.db2.gz FVZYYLLGQSJIBN-UHFFFAOYSA-N 0 0 237.694 2.157 10 0 BEAERN CCCN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000611850995 411228106 /nfs/dbraw/zinc/22/81/06/411228106.db2.gz NWQADEJAANNVNM-ZSBIGDGJSA-N 0 0 239.359 2.042 10 0 BEAERN CCC[C@@H](C)NC(=O)NCc1cccc(C)n1 ZINC000049242410 411229897 /nfs/dbraw/zinc/22/98/97/411229897.db2.gz OFXYCROMQZIGER-SNVBAGLBSA-N 0 0 235.331 2.378 10 0 BEAERN C[N@H+](CCC1CC1)Cc1ncccc1C(=O)[O-] ZINC000310341475 411234484 /nfs/dbraw/zinc/23/44/84/411234484.db2.gz OCFAYHOGLFKTEM-UHFFFAOYSA-N 0 0 234.299 2.012 10 0 BEAERN CC1(C)CCC[C@](O)(CNc2ncns2)C1 ZINC000302506365 167915720 /nfs/dbraw/zinc/91/57/20/167915720.db2.gz QRGZMTSASVPMCG-LLVKDONJSA-N 0 0 241.360 2.281 10 0 BEAERN CC1(C)CC[NH+]([C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000062756836 167922527 /nfs/dbraw/zinc/92/25/27/167922527.db2.gz YYUKZRZNTKDTEP-WDEREUQCSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@@H]1C[C@@H](C)[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304198249 411353014 /nfs/dbraw/zinc/35/30/14/411353014.db2.gz YEADVOHGELMJBC-NXEZZACHSA-N 0 0 234.299 2.010 10 0 BEAERN CC1CC(C(=O)N2Cc3ccc(N)cc3C2)C1 ZINC000658935826 411362727 /nfs/dbraw/zinc/36/27/27/411362727.db2.gz PTHSWXUDSCIKIM-UHFFFAOYSA-N 0 0 230.311 2.157 10 0 BEAERN CC1(C)C[C@@H]1NC(=O)c1cc(Cl)ccc1N ZINC000045114988 167988353 /nfs/dbraw/zinc/98/83/53/167988353.db2.gz ABVHZQQFQOOIJZ-JTQLQIEISA-N 0 0 238.718 2.451 10 0 BEAERN FC1CCN(c2nsnc2Cl)CC1 ZINC000575596922 411342077 /nfs/dbraw/zinc/34/20/77/411342077.db2.gz PINODBHUSQFENV-UHFFFAOYSA-N 0 0 221.688 2.130 10 0 BEAERN CC1(NC(=O)CCc2ccccc2O)CCC1 ZINC000126070308 168055764 /nfs/dbraw/zinc/05/57/64/168055764.db2.gz SSXNRFQKOOWXML-UHFFFAOYSA-N 0 0 233.311 2.384 10 0 BEAERN CC1=CCCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000281637827 168094993 /nfs/dbraw/zinc/09/49/93/168094993.db2.gz XWXKOOOPOQHCCB-LLVKDONJSA-N 0 0 210.321 2.393 10 0 BEAERN CC1=CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000270342090 168107726 /nfs/dbraw/zinc/10/77/26/168107726.db2.gz NWXJMRMTNVSIQY-LLVKDONJSA-N 0 0 210.321 2.393 10 0 BEAERN CC1=N/C(=C/c2ccc(F)cc2F)C(=O)O1 ZINC000090558002 168132622 /nfs/dbraw/zinc/13/26/22/168132622.db2.gz OMPNCCVEPLPBEJ-ONNFQVAWSA-N 0 0 223.178 2.281 10 0 BEAERN C[C@H](c1cccc(N)c1)N1C(=O)CC(C)CC1=O ZINC000061828475 168139206 /nfs/dbraw/zinc/13/92/06/168139206.db2.gz QOVGLAOYLUPFGI-SNVBAGLBSA-N 0 0 246.310 2.115 10 0 BEAERN CC1CCC(C[NH2+]C2(C(=O)[O-])CCC2)CC1 ZINC000336665821 168155375 /nfs/dbraw/zinc/15/53/75/168155375.db2.gz PUMDOTVNVCUGOW-UHFFFAOYSA-N 0 0 225.332 2.410 10 0 BEAERN CC1CCC(Nc2ccnc(C(N)=O)c2)CC1 ZINC000035673446 168165768 /nfs/dbraw/zinc/16/57/68/168165768.db2.gz LJXPSMWJDYEKSY-UHFFFAOYSA-N 0 0 233.315 2.171 10 0 BEAERN CCC(=O)Cc1nc(-c2ccccc2F)no1 ZINC000104052722 168210686 /nfs/dbraw/zinc/21/06/86/168210686.db2.gz RJYLJQYORRREQT-UHFFFAOYSA-N 0 0 234.230 2.397 10 0 BEAERN CCC(=O)N(C)[C@H](C)c1cccc(N)c1 ZINC000037408903 168211476 /nfs/dbraw/zinc/21/14/76/168211476.db2.gz IZOJYCLYSKBDIM-SECBINFHSA-N 0 0 206.289 2.198 10 0 BEAERN CCC(=O)N(CC)Cc1ccccc1N ZINC000035364381 168212915 /nfs/dbraw/zinc/21/29/15/168212915.db2.gz NGHBVCDWJLKCOI-UHFFFAOYSA-N 0 0 206.289 2.027 10 0 BEAERN CCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173461554 168219532 /nfs/dbraw/zinc/21/95/32/168219532.db2.gz RMFCGCUEISGBEW-VIFPVBQESA-N 0 0 237.303 2.267 10 0 BEAERN CCC(=O)c1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000047873762 168257704 /nfs/dbraw/zinc/25/77/04/168257704.db2.gz XKXVWULCUAFMRX-VIFPVBQESA-N 0 0 236.267 2.220 10 0 BEAERN CCC(=O)c1ccccc1O[C@@H](C)[C@@H](C)O ZINC000087131026 168259780 /nfs/dbraw/zinc/25/97/80/168259780.db2.gz VMHNGHZAEJOSDO-ZJUUUORDSA-N 0 0 222.284 2.427 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616614691 411386787 /nfs/dbraw/zinc/38/67/87/411386787.db2.gz JRVKVXOWDRMUEH-CQSZACIVSA-N 0 0 233.311 2.252 10 0 BEAERN C[C@@H](NC(=O)Cc1cccc(O)c1)C(C)(C)C ZINC000125601332 411387764 /nfs/dbraw/zinc/38/77/64/411387764.db2.gz OGXGJMVELICCAF-SNVBAGLBSA-N 0 0 235.327 2.486 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(N)c(F)c1 ZINC000054405095 168296503 /nfs/dbraw/zinc/29/65/03/168296503.db2.gz ONQIQQZSOXTUFE-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC(C)(C)NC(=O)c1cc(OC)ccc1N ZINC000037846640 168296826 /nfs/dbraw/zinc/29/68/26/168296826.db2.gz ZQWQRIVIPWEKHP-UHFFFAOYSA-N 0 0 236.315 2.196 10 0 BEAERN CCC(C)(C)NC(=O)c1ccnc(NC)c1 ZINC000050724426 168297636 /nfs/dbraw/zinc/29/76/36/168297636.db2.gz CMNBBIWTXPQSJC-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCC(C)(C)NC(=O)c1cccc(F)c1N ZINC000054205731 168297763 /nfs/dbraw/zinc/29/77/63/168297763.db2.gz VOYBNSVBVUQXEE-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC(C)(C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050696958 168298278 /nfs/dbraw/zinc/29/82/78/168298278.db2.gz KVJXTNJJPRPRGN-UHFFFAOYSA-N 0 0 241.722 2.236 10 0 BEAERN CCC(C)(C)OCc1csc(N)n1 ZINC000036732514 168304812 /nfs/dbraw/zinc/30/48/12/168304812.db2.gz FGELZRLJPBVYTD-UHFFFAOYSA-N 0 0 200.307 2.431 10 0 BEAERN CCC(C)(CC)NC(=O)NC[C@@]1(C)CCCO1 ZINC000121325559 168308186 /nfs/dbraw/zinc/30/81/86/168308186.db2.gz AGVDAVFSYLGDTC-CYBMUJFWSA-N 0 0 242.363 2.433 10 0 BEAERN Cc1cnc(N[C@H]2CNc3ccccc3C2)nc1 ZINC000404454272 411397382 /nfs/dbraw/zinc/39/73/82/411397382.db2.gz UFIVJFKRHWKCEN-GFCCVEGCSA-N 0 0 240.310 2.234 10 0 BEAERN CC(C)[C@@](C)(O)Cn1nccc1-c1ccncc1 ZINC000185032425 411399602 /nfs/dbraw/zinc/39/96/02/411399602.db2.gz QOJZIWPBRLAPBY-AWEZNQCLSA-N 0 0 245.326 2.352 10 0 BEAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](CCO)C1 ZINC000222460320 411400141 /nfs/dbraw/zinc/40/01/41/411400141.db2.gz PZIZHTMMLHJNII-HBNTYKKESA-N 0 0 200.322 2.192 10 0 BEAERN CN1C[C@H](c2ncccn2)Nc2ccccc21 ZINC000616683835 411414938 /nfs/dbraw/zinc/41/49/38/411414938.db2.gz UXPCDQWMGPHQIQ-LLVKDONJSA-N 0 0 226.283 2.080 10 0 BEAERN CCN(CCn1ccc(N)n1)c1ccc(C)cc1 ZINC000071378214 169878267 /nfs/dbraw/zinc/87/82/67/169878267.db2.gz PQPDKCBTCMGEFV-UHFFFAOYSA-N 0 0 244.342 2.300 10 0 BEAERN CC(C)[C@@H]1CCC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000305941717 411428417 /nfs/dbraw/zinc/42/84/17/411428417.db2.gz LNDALSQUHNVHSR-ZDUSSCGKSA-N 0 0 248.326 2.400 10 0 BEAERN CC(C)[C@H]1CCC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000305941715 411428610 /nfs/dbraw/zinc/42/86/10/411428610.db2.gz LNDALSQUHNVHSR-CYBMUJFWSA-N 0 0 248.326 2.400 10 0 BEAERN CCC[N@@H+](Cc1ncccc1C(=O)[O-])CC1CC1 ZINC000306010197 411430001 /nfs/dbraw/zinc/43/00/01/411430001.db2.gz WQMUDENKPMNXEN-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN Cc1cc(C(C)C)nc(NCCn2cccn2)n1 ZINC000122397969 411431811 /nfs/dbraw/zinc/43/18/11/411431811.db2.gz SKPLMCWFDMMPIB-UHFFFAOYSA-N 0 0 245.330 2.217 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H](C)[C@@H](C)CO)n1 ZINC000122529906 411434092 /nfs/dbraw/zinc/43/40/92/411434092.db2.gz BABRBTDZKFRLBE-GXSJLCMTSA-N 0 0 237.347 2.337 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H](C)[C@H](C)CO)n1 ZINC000122530148 411434270 /nfs/dbraw/zinc/43/42/70/411434270.db2.gz BABRBTDZKFRLBE-KOLCDFICSA-N 0 0 237.347 2.337 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H](C)[C@H](C)CO)n1 ZINC000122530386 411434489 /nfs/dbraw/zinc/43/44/89/411434489.db2.gz BABRBTDZKFRLBE-MWLCHTKSSA-N 0 0 237.347 2.337 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@H](C)CCO)n1 ZINC000122485667 411434700 /nfs/dbraw/zinc/43/47/00/411434700.db2.gz SSNZKVJGDOQRIE-SNVBAGLBSA-N 0 0 237.347 2.339 10 0 BEAERN CCN(Cc1nnsc1N)Cc1ccccc1 ZINC000050812527 169915204 /nfs/dbraw/zinc/91/52/04/169915204.db2.gz LBZBKEWOKNYYGZ-UHFFFAOYSA-N 0 0 248.355 2.142 10 0 BEAERN Cc1c[nH]c(CN[C@@H](C)c2csc(C)n2)n1 ZINC000657353120 411474373 /nfs/dbraw/zinc/47/43/73/411474373.db2.gz GAHNCHANZBMKHO-QMMMGPOBSA-N 0 0 236.344 2.334 10 0 BEAERN c1ccc([C@@H]2C[C@@H]2Nc2ncccn2)cc1 ZINC000044416450 411497952 /nfs/dbraw/zinc/49/79/52/411497952.db2.gz PNEWLOSVTBWFAV-RYUDHWBXSA-N 0 0 211.268 2.445 10 0 BEAERN CC[C@@H]1C[C@@H](N[C@H](C)c2ncc(C)o2)CO1 ZINC000657458968 411517566 /nfs/dbraw/zinc/51/75/66/411517566.db2.gz SJKQGAUGSDJOLO-GMTAPVOTSA-N 0 0 224.304 2.201 10 0 BEAERN CCN=c1sc2c(n1CC)CCCC2 ZINC000256009681 170041640 /nfs/dbraw/zinc/04/16/40/170041640.db2.gz WSWMQKAZVKKCGS-UHFFFAOYSA-N 0 0 210.346 2.369 10 0 BEAERN CCNC(=O)Nc1cc(N)ccc1Cl ZINC000036744125 170084369 /nfs/dbraw/zinc/08/43/69/170084369.db2.gz GMPPMFQURIOUON-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(F)ccc1C ZINC000020306646 170089002 /nfs/dbraw/zinc/08/90/02/170089002.db2.gz MYSAXIYLCCELPW-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(F)cc1C ZINC000020306777 170089299 /nfs/dbraw/zinc/08/92/99/170089299.db2.gz VXTKSVOBYYDNLA-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@@H](C)Sc1ccc(N)cc1C ZINC000037193809 170089803 /nfs/dbraw/zinc/08/98/03/170089803.db2.gz XWKWEPVUCLJXAS-SECBINFHSA-N 0 0 238.356 2.194 10 0 BEAERN CCNC(=O)[C@@H](C)Sc1ccc(N)cc1F ZINC000037194443 170090085 /nfs/dbraw/zinc/09/00/85/170090085.db2.gz LDMGAFLRTLBDQC-SSDOTTSWSA-N 0 0 242.319 2.025 10 0 BEAERN CCNC(=O)[C@H](C)Nc1nccc2sccc21 ZINC000049217481 170096373 /nfs/dbraw/zinc/09/63/73/170096373.db2.gz GJTOMPAPRHLGKA-QMMMGPOBSA-N 0 0 249.339 2.233 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cccc(Cl)c1 ZINC000020307658 170096401 /nfs/dbraw/zinc/09/64/01/170096401.db2.gz NRFFMZIDRBZYBM-QMMMGPOBSA-N 0 0 226.707 2.277 10 0 BEAERN CCNC(=O)c1cc(Cl)ccc1NC ZINC000050726056 170099808 /nfs/dbraw/zinc/09/98/08/170099808.db2.gz VXWHXFRBOUBQQZ-UHFFFAOYSA-N 0 0 212.680 2.131 10 0 BEAERN CCNC(=O)c1ccc(N)c(N(C)[C@H](C)CC)c1 ZINC000103956621 170101987 /nfs/dbraw/zinc/10/19/87/170101987.db2.gz OJVZCLOQFWREHR-SNVBAGLBSA-N 0 0 249.358 2.253 10 0 BEAERN CCNC(=O)c1ccc(NC(C)C)cc1 ZINC000037089584 170102129 /nfs/dbraw/zinc/10/21/29/170102129.db2.gz DENMMEOEVMEZEQ-UHFFFAOYSA-N 0 0 206.289 2.257 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000037181866 170137943 /nfs/dbraw/zinc/13/79/43/170137943.db2.gz AWCFERALTOYZQO-SECBINFHSA-N 0 0 213.664 2.075 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1c(C)cc(C)cc1C ZINC000037181766 170138346 /nfs/dbraw/zinc/13/83/46/170138346.db2.gz ZFKQNLWYQQWGLB-GFCCVEGCSA-N 0 0 221.300 2.347 10 0 BEAERN CCN[C@@H](c1ccc(F)c(F)c1)c1cnccn1 ZINC000055237378 170147557 /nfs/dbraw/zinc/14/75/57/170147557.db2.gz YRMSLSFIKQKJPK-ZDUSSCGKSA-N 0 0 249.264 2.454 10 0 BEAERN CCN[C@@H](c1ccc(C)o1)c1nccn1C ZINC000041048673 170147587 /nfs/dbraw/zinc/14/75/87/170147587.db2.gz NGWBHQOTJAKTTA-NSHDSACASA-N 0 0 219.288 2.020 10 0 BEAERN CC[NH2+][C@@](C)(COCC1CCCCC1)C(=O)[O-] ZINC000052157367 170154760 /nfs/dbraw/zinc/15/47/60/170154760.db2.gz UFAFAPTVCSPVNC-ZDUSSCGKSA-N 0 0 243.347 2.036 10 0 BEAERN CC[NH2+][C@@H]1c2c(cc(F)cc2F)O[C@H]1C ZINC000054932068 170155414 /nfs/dbraw/zinc/15/54/14/170155414.db2.gz LVHJZZCWWDHWDR-KGFZYKRKSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@H](CCO[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000062542515 170162483 /nfs/dbraw/zinc/16/24/83/170162483.db2.gz KUWBOKGWPRAVAJ-QJPTWQEYSA-N 0 0 243.347 2.035 10 0 BEAERN CCN[C@H](c1ccc(C)cc1)c1ncccn1 ZINC000037536329 170163126 /nfs/dbraw/zinc/16/31/26/170163126.db2.gz YDXSPRVDRDZMTQ-CYBMUJFWSA-N 0 0 227.311 2.484 10 0 BEAERN CCN[C@H](c1cncnc1)c1cc(F)ccc1F ZINC000104242699 170165023 /nfs/dbraw/zinc/16/50/23/170165023.db2.gz HXJJEKRWBZXFAW-CYBMUJFWSA-N 0 0 249.264 2.454 10 0 BEAERN CCN[C@H](c1cscn1)c1ccco1 ZINC000062356794 170165078 /nfs/dbraw/zinc/16/50/78/170165078.db2.gz WRJRIJKBEDOUIL-SNVBAGLBSA-N 0 0 208.286 2.435 10 0 BEAERN CCNc1cc(C(=O)N[C@H](C)C2CC2)ccn1 ZINC000050751616 170171120 /nfs/dbraw/zinc/17/11/20/170171120.db2.gz GWINRTQYWNMIAO-SECBINFHSA-N 0 0 233.315 2.042 10 0 BEAERN CCNc1cc(C(=O)NC[C@H](C)CC)ccn1 ZINC000054492432 170171401 /nfs/dbraw/zinc/17/14/01/170171401.db2.gz XFQLFPDBZDCEFV-SNVBAGLBSA-N 0 0 235.331 2.289 10 0 BEAERN CCNc1cc(C2CC2)nc(-c2ncccn2)n1 ZINC000103954554 170172329 /nfs/dbraw/zinc/17/23/29/170172329.db2.gz WQNUTWZQISUFPX-UHFFFAOYSA-N 0 0 241.298 2.243 10 0 BEAERN CCNc1cc(C)nc(-c2ccco2)n1 ZINC000050864632 170172488 /nfs/dbraw/zinc/17/24/88/170172488.db2.gz CIDRVFKJIGBTMV-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1ccc(CC(=O)OCC)cc1 ZINC000146803676 170173416 /nfs/dbraw/zinc/17/34/16/170173416.db2.gz OXLHUYOHAIHLSF-UHFFFAOYSA-N 0 0 207.273 2.224 10 0 BEAERN CCNc1ccc(Cl)c(Cn2cccn2)n1 ZINC000061639231 170173542 /nfs/dbraw/zinc/17/35/42/170173542.db2.gz NVCBFIYQULISLJ-UHFFFAOYSA-N 0 0 236.706 2.412 10 0 BEAERN CCNc1ccc(C(=O)NC[C@H](C)CC)cn1 ZINC000054492595 170173582 /nfs/dbraw/zinc/17/35/82/170173582.db2.gz XWCZEJWGEYDRQU-SNVBAGLBSA-N 0 0 235.331 2.289 10 0 BEAERN CCNc1ccc(Cl)c(CN(C)C)n1 ZINC000061630797 170173763 /nfs/dbraw/zinc/17/37/63/170173763.db2.gz JSCJXZMHSDXCDR-UHFFFAOYSA-N 0 0 213.712 2.228 10 0 BEAERN CCNc1ccc2ccc(=O)[nH]c2c1C ZINC000045808934 170174497 /nfs/dbraw/zinc/17/44/97/170174497.db2.gz KXCROTCIEVZWEG-UHFFFAOYSA-N 0 0 202.257 2.268 10 0 BEAERN CCNc1ccc(Cn2ccnc2C)cn1 ZINC000050818411 170174520 /nfs/dbraw/zinc/17/45/20/170174520.db2.gz OCOJRNMODGLKPG-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCNc1ccnc(C(=O)NCC2CCCC2)c1 ZINC000050749625 170175178 /nfs/dbraw/zinc/17/51/78/170175178.db2.gz RHDGTQUBSJPDNI-UHFFFAOYSA-N 0 0 247.342 2.433 10 0 BEAERN CCNc1nc(-c2ccccc2OC)no1 ZINC000053750321 170175733 /nfs/dbraw/zinc/17/57/33/170175733.db2.gz PMPCPGXGEFOSPV-UHFFFAOYSA-N 0 0 219.244 2.177 10 0 BEAERN CCNc1nc(C(=O)N(C)C)cc2ccccc21 ZINC000050723887 170175917 /nfs/dbraw/zinc/17/59/17/170175917.db2.gz JHCAARLLUNNRDN-UHFFFAOYSA-N 0 0 243.310 2.368 10 0 BEAERN CCNc1nc([C@@H]2CCOC2)nc2c1CCCC2 ZINC000051691646 170177019 /nfs/dbraw/zinc/17/70/19/170177019.db2.gz OHNPUANMFDEFKF-SNVBAGLBSA-N 0 0 247.342 2.291 10 0 BEAERN CCNc1ncccc1C(=O)N(CC)C1CC1 ZINC000050747292 170178308 /nfs/dbraw/zinc/17/83/08/170178308.db2.gz PUGVCBXQLIPFBI-UHFFFAOYSA-N 0 0 233.315 2.138 10 0 BEAERN CCNc1ncccc1Cn1cc(Cl)cn1 ZINC000052733696 170178392 /nfs/dbraw/zinc/17/83/92/170178392.db2.gz JKULSJHFRHTKSS-UHFFFAOYSA-N 0 0 236.706 2.412 10 0 BEAERN CCOC(=N)[C@H](O)c1ccc(OC)c(C)c1 ZINC000145514221 170180248 /nfs/dbraw/zinc/18/02/48/170180248.db2.gz PJBYFXYOVIRWOD-LLVKDONJSA-N 0 0 223.272 2.051 10 0 BEAERN CCOC(=N)[C@H](O)c1ccccc1OCC ZINC000039392953 170180515 /nfs/dbraw/zinc/18/05/15/170180515.db2.gz PUAMLBUFSAZUMZ-LLVKDONJSA-N 0 0 223.272 2.132 10 0 BEAERN CCOC(=O)C(C(=O)OCC)C(CC)CC ZINC000002578799 170185639 /nfs/dbraw/zinc/18/56/39/170185639.db2.gz YXTZLGAIZUVGGM-UHFFFAOYSA-N 0 0 230.304 2.165 10 0 BEAERN CCOC(=O)C(F)(F)Oc1ccc(F)cc1 ZINC000084193547 170187992 /nfs/dbraw/zinc/18/79/92/170187992.db2.gz MOCXDOZCWMKGRG-UHFFFAOYSA-N 0 0 234.173 2.360 10 0 BEAERN CCOC(=O)C1=C2CCCC(=S)N2CC1 ZINC000039125067 170191728 /nfs/dbraw/zinc/19/17/28/170191728.db2.gz LGCQECWYUUGEHG-UHFFFAOYSA-N 0 0 225.313 2.021 10 0 BEAERN CCOC(=O)C1CCC(C)(OC)CC1 ZINC000166751824 170192013 /nfs/dbraw/zinc/19/20/13/170192013.db2.gz GBSNUZUTAUKPLV-UHFFFAOYSA-N 0 0 200.278 2.145 10 0 BEAERN CCOC(=O)C=C1CCC(C(=O)OCC)CC1 ZINC000000163658 170193231 /nfs/dbraw/zinc/19/32/31/170193231.db2.gz LLSDJLRZFSIZFR-UHFFFAOYSA-N 0 0 240.299 2.229 10 0 BEAERN CCOC(=O)CNCc1cccc(Cl)c1F ZINC000083374585 170225295 /nfs/dbraw/zinc/22/52/95/170225295.db2.gz IFHHIPAUHQKSJW-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000365798103 170226177 /nfs/dbraw/zinc/22/61/77/170226177.db2.gz ULCFVZCPSIDJBY-VXGBXAGGSA-N 0 0 225.332 2.108 10 0 BEAERN CCOC(=O)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000334164138 170231720 /nfs/dbraw/zinc/23/17/20/170231720.db2.gz SOKJXLJWKGNJGL-RNLVFQAGSA-N 0 0 204.216 2.231 10 0 BEAERN CCOC(=O)C[C@H]1CCc2cc(O)ccc2O1 ZINC000034274961 170234405 /nfs/dbraw/zinc/23/44/05/170234405.db2.gz PLEMAEYMBILCPR-LLVKDONJSA-N 0 0 236.267 2.039 10 0 BEAERN CCOC(=O)Cc1nc2c(s1)CCCC2 ZINC000026515114 170236698 /nfs/dbraw/zinc/23/66/98/170236698.db2.gz WGOGUECNRPZEFH-UHFFFAOYSA-N 0 0 225.313 2.128 10 0 BEAERN CCOC(=O)Cn1nc(-c2ccccc2)cc1C ZINC000097758592 170237737 /nfs/dbraw/zinc/23/77/37/170237737.db2.gz CTFBYPHBFJAHSJ-UHFFFAOYSA-N 0 0 244.294 2.422 10 0 BEAERN CCOC(=O)N[C@@H](C)c1cccc(N)c1 ZINC000037178930 170242771 /nfs/dbraw/zinc/24/27/71/170242771.db2.gz MYADPJKKGHOZBY-QMMMGPOBSA-N 0 0 208.261 2.076 10 0 BEAERN CCOC(=O)Nc1ccccc1C(=O)OCC ZINC000005953286 170244052 /nfs/dbraw/zinc/24/40/52/170244052.db2.gz DXRJBKGKGDZKBN-UHFFFAOYSA-N 0 0 237.255 2.432 10 0 BEAERN CCOC(=O)Nc1ccc(OC)c(OC)c1 ZINC000005709676 170244116 /nfs/dbraw/zinc/24/41/16/170244116.db2.gz HJXGURKBJDMUET-UHFFFAOYSA-N 0 0 225.244 2.272 10 0 BEAERN CCOC(=O)[C@@H](C)c1cccc2ocnc21 ZINC000089195177 170248966 /nfs/dbraw/zinc/24/89/66/170248966.db2.gz HSIWLMPYABUVLR-QMMMGPOBSA-N 0 0 219.240 2.494 10 0 BEAERN CCOC(=O)[C@@H](NCC1CC1)[C@@H]1CC=CCC1 ZINC000037968318 170255283 /nfs/dbraw/zinc/25/52/83/170255283.db2.gz DDWQOXRUNRCJID-OLZOCXBDSA-N 0 0 237.343 2.274 10 0 BEAERN CCOC(=O)[C@@](C)(N)Cc1ccc(Cl)cc1 ZINC000035874811 170260698 /nfs/dbraw/zinc/26/06/98/170260698.db2.gz HKYTXRJHGDJCPV-LBPRGKRZSA-N 0 0 241.718 2.163 10 0 BEAERN CCOC(=O)[C@@](C)(N)Cc1cccc(Cl)c1 ZINC000095748723 170261924 /nfs/dbraw/zinc/26/19/24/170261924.db2.gz RDUBYEDCWQXNKL-LBPRGKRZSA-N 0 0 241.718 2.163 10 0 BEAERN CCOC(=O)[C@@](O)(CC(C)C)c1ccccc1 ZINC000050976169 170262700 /nfs/dbraw/zinc/26/27/00/170262700.db2.gz QYUZBKBBLXFNLY-CQSZACIVSA-N 0 0 236.311 2.483 10 0 BEAERN CCOC(=O)[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000043637775 170269352 /nfs/dbraw/zinc/26/93/52/170269352.db2.gz TVPSSUOAKCEILO-JTQLQIEISA-N 0 0 236.315 2.116 10 0 BEAERN CCOC(=O)c1[nH]c(C(C)(C)C)cc1N ZINC000039084131 170286469 /nfs/dbraw/zinc/28/64/69/170286469.db2.gz SJLDQQCTBUPSIG-UHFFFAOYSA-N 0 0 210.277 2.071 10 0 BEAERN CCOC(=O)c1c(Cl)c(N)nn1[C@@H](C)CC ZINC000020314082 170288194 /nfs/dbraw/zinc/28/81/94/170288194.db2.gz DUVUYBTWJGKBEF-LURJTMIESA-N 0 0 245.710 2.266 10 0 BEAERN CCOC(=O)c1c(C)nc2scc(C)n21 ZINC000040437954 170288368 /nfs/dbraw/zinc/28/83/68/170288368.db2.gz MCVXDXLWSWOWLG-UHFFFAOYSA-N 0 0 224.285 2.189 10 0 BEAERN CCOC(=O)c1c(Cl)nc2sccn21 ZINC000044200683 170288425 /nfs/dbraw/zinc/28/84/25/170288425.db2.gz OTKUKQUGCNHYOH-UHFFFAOYSA-N 0 0 230.676 2.226 10 0 BEAERN CCOC(=O)c1c(O)ccc(C(C)=O)c1C ZINC000039110405 170288690 /nfs/dbraw/zinc/28/86/90/170288690.db2.gz HBBBHSJDEDRTMV-UHFFFAOYSA-N 0 0 222.240 2.080 10 0 BEAERN CCOC(=O)c1c(N)sc2c1CCS2 ZINC000083251420 170289450 /nfs/dbraw/zinc/28/94/50/170289450.db2.gz SBGAXQJFDRWKDK-UHFFFAOYSA-N 0 0 229.326 2.155 10 0 BEAERN CCOC(=O)c1c[nH]c2c1ccnc2Cl ZINC000090411572 170289935 /nfs/dbraw/zinc/28/99/35/170289935.db2.gz VBJSYXPCSCPWBM-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN CCOC(=O)c1cc(C=O)oc1C(F)(F)F ZINC000005858089 170291258 /nfs/dbraw/zinc/29/12/58/170291258.db2.gz GGAGOWASDNUXJD-UHFFFAOYSA-N 0 0 236.145 2.288 10 0 BEAERN CCOC(=O)c1cc(Cl)ccc1NC(C)=O ZINC000028278494 170292482 /nfs/dbraw/zinc/29/24/82/170292482.db2.gz WWYHPHVPZNDYTM-UHFFFAOYSA-N 0 0 241.674 2.475 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(F)c1N ZINC000037475502 170296163 /nfs/dbraw/zinc/29/61/63/170296163.db2.gz SCOJMRCCPMKKRP-UHFFFAOYSA-N 0 0 217.627 2.238 10 0 BEAERN CCOC(=O)c1ccc(F)c(C)c1F ZINC000095775306 170296429 /nfs/dbraw/zinc/29/64/29/170296429.db2.gz VABWCPUTLWAXNL-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN CCOC(=O)c1ccc(NCc2ncc[nH]2)cc1 ZINC000049714810 170296945 /nfs/dbraw/zinc/29/69/45/170296945.db2.gz AOQATIPUCTWCEL-UHFFFAOYSA-N 0 0 245.282 2.199 10 0 BEAERN CCOC(=O)c1ccc(O[C@H](C)[C@H](C)O)cc1 ZINC000094652526 170297040 /nfs/dbraw/zinc/29/70/40/170297040.db2.gz FYLKRSXZFQCTDS-VHSXEESVSA-N 0 0 238.283 2.011 10 0 BEAERN CCOC(=O)c1ccc(N[C@H]2C[C@H]2C)nc1 ZINC000052291676 170297303 /nfs/dbraw/zinc/29/73/03/170297303.db2.gz OTRRLDNNKVTLLR-SCZZXKLOSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1ccc2cc(OC)ccc2n1 ZINC000034583988 170297614 /nfs/dbraw/zinc/29/76/14/170297614.db2.gz QQOJKMRPXIXCAK-UHFFFAOYSA-N 0 0 231.251 2.420 10 0 BEAERN CCOC(=O)c1cccc2[nH]c(OCC)nc21 ZINC000089195055 170299258 /nfs/dbraw/zinc/29/92/58/170299258.db2.gz HEDXBGAGAWZJPJ-UHFFFAOYSA-N 0 0 234.255 2.138 10 0 BEAERN CCOC(=O)c1cnn(-c2ccccc2)c1F ZINC000066348294 170302997 /nfs/dbraw/zinc/30/29/97/170302997.db2.gz KLWAPHJHTJFBAF-UHFFFAOYSA-N 0 0 234.230 2.188 10 0 BEAERN CCOC(=O)c1oc2ccccc2c(=O)c1C ZINC000003621204 170309517 /nfs/dbraw/zinc/30/95/17/170309517.db2.gz OQATUSWUYAWKPX-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN CCOC(CCOC[C@H]1CCCCO1)OCC ZINC000104351871 170314627 /nfs/dbraw/zinc/31/46/27/170314627.db2.gz VLLDMFDQZKGLGS-GFCCVEGCSA-N 0 0 246.347 2.361 10 0 BEAERN CCOC(CCOCC1CCOCC1)OCC ZINC000104364437 170314796 /nfs/dbraw/zinc/31/47/96/170314796.db2.gz OKCXMJFHQFHYNG-UHFFFAOYSA-N 0 0 246.347 2.219 10 0 BEAERN CCOCC(=O)N[C@@H](C)c1ccccc1C ZINC000070237435 170345675 /nfs/dbraw/zinc/34/56/75/170345675.db2.gz AVAHEQQJBRJYFI-NSHDSACASA-N 0 0 221.300 2.209 10 0 BEAERN CCOCC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103055228 170346447 /nfs/dbraw/zinc/34/64/47/170346447.db2.gz WWVIBHOCDJVEIJ-NWDGAFQWSA-N 0 0 227.348 2.354 10 0 BEAERN CCOCCC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110443846 170361049 /nfs/dbraw/zinc/36/10/49/170361049.db2.gz SOBRKAHTUMVPNP-UONOGXRCSA-N 0 0 247.338 2.333 10 0 BEAERN CCOCCC(=O)Nc1cc(Cl)ccc1N ZINC000022214110 170363343 /nfs/dbraw/zinc/36/33/43/170363343.db2.gz OYFVRVZFQBBILU-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN CCOCCCC(=O)Nc1cccc(N)c1 ZINC000022165740 170366353 /nfs/dbraw/zinc/36/63/53/170366353.db2.gz RWTSLIAFUDKHAC-UHFFFAOYSA-N 0 0 222.288 2.024 10 0 BEAERN CCN1C[C@@H](Nc2cc[nH]n2)Cc2ccccc21 ZINC000616674287 411638538 /nfs/dbraw/zinc/63/85/38/411638538.db2.gz YJOWJALOWLCPAE-LBPRGKRZSA-N 0 0 242.326 2.273 10 0 BEAERN CCCc1nccnc1NCC[C@H]1CCCO1 ZINC000663374513 411640885 /nfs/dbraw/zinc/64/08/85/411640885.db2.gz CPBSHXBTIISOLA-LLVKDONJSA-N 0 0 235.331 2.410 10 0 BEAERN OCC1CC([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000657811144 411602888 /nfs/dbraw/zinc/60/28/88/411602888.db2.gz RQEFUXPDFWGOGZ-UHFFFAOYSA-N 0 0 243.709 2.340 10 0 BEAERN C[C@H]([NH2+]C1CC(CO)C1)c1ccccc1F ZINC000657810738 411603123 /nfs/dbraw/zinc/60/31/23/411603123.db2.gz JNPGSMMYWXEIMD-WHXUTIOJSA-N 0 0 223.291 2.247 10 0 BEAERN CCCc1nccnc1N1CCCCC1 ZINC000663311979 411621829 /nfs/dbraw/zinc/62/18/29/411621829.db2.gz RVSWUXSPLFDAHD-UHFFFAOYSA-N 0 0 205.305 2.419 10 0 BEAERN CCCc1nccnc1NCCCn1ccnc1 ZINC000663317383 411622944 /nfs/dbraw/zinc/62/29/44/411622944.db2.gz MZOYYEJWNLTVIM-UHFFFAOYSA-N 0 0 245.330 2.128 10 0 BEAERN CCCc1nccnc1NC[C@@H](O)C(C)(C)C ZINC000663599729 411708932 /nfs/dbraw/zinc/70/89/32/411708932.db2.gz VITDFBIYOMDUMZ-LLVKDONJSA-N 0 0 237.347 2.248 10 0 BEAERN CCO[C@@H]1Cc2ncccc2N=C(C)O1 ZINC000038235559 170495519 /nfs/dbraw/zinc/49/55/19/170495519.db2.gz FINORURUHDXHNN-NSHDSACASA-N 0 0 206.245 2.067 10 0 BEAERN CCCc1nccnc1NC[C@H](C)COC ZINC000663434094 411658036 /nfs/dbraw/zinc/65/80/36/411658036.db2.gz FGDLXOVVOYFRJN-JTQLQIEISA-N 0 0 223.320 2.124 10 0 BEAERN CCOc1cc(CNc2cn[nH]c2)ccc1OC ZINC000035763681 170522488 /nfs/dbraw/zinc/52/24/88/170522488.db2.gz ZYUCWIIZQVFZOT-UHFFFAOYSA-N 0 0 247.298 2.429 10 0 BEAERN CCOc1ccc(Cl)c(C(=O)OC)c1N ZINC000037680108 170548570 /nfs/dbraw/zinc/54/85/70/170548570.db2.gz KYCZCQXSJAXVOR-UHFFFAOYSA-N 0 0 229.663 2.108 10 0 BEAERN CCOc1ccc(C(=O)C(F)(F)F)cn1 ZINC000034352706 170535667 /nfs/dbraw/zinc/53/56/67/170535667.db2.gz LOZMIQVFQVRILI-UHFFFAOYSA-N 0 0 219.162 2.225 10 0 BEAERN CCOc1ccc(CCCO)cc1OCC ZINC000044396264 170541883 /nfs/dbraw/zinc/54/18/83/170541883.db2.gz PSPBKZLELSTNBG-UHFFFAOYSA-N 0 0 224.300 2.409 10 0 BEAERN CCOc1ccc([C@H](C)n2nccc2N)cc1 ZINC000019689314 170563073 /nfs/dbraw/zinc/56/30/73/170563073.db2.gz KPAUPCFDDITXIC-JTQLQIEISA-N 0 0 231.299 2.473 10 0 BEAERN CCCc1nccnc1NC[C@](C)(O)CC ZINC000663519953 411696634 /nfs/dbraw/zinc/69/66/34/411696634.db2.gz FBKQTBLQQFVVEM-GFCCVEGCSA-N 0 0 223.320 2.002 10 0 BEAERN CCOc1cccc(-c2nccc(C=O)n2)c1 ZINC000054791016 170571801 /nfs/dbraw/zinc/57/18/01/170571801.db2.gz HZBIXNHOQAKOEU-UHFFFAOYSA-N 0 0 228.251 2.355 10 0 BEAERN CCOc1cccc(NCCCC(=O)OC)c1 ZINC000049565833 170581322 /nfs/dbraw/zinc/58/13/22/170581322.db2.gz CXEMKANLRAMCRT-UHFFFAOYSA-N 0 0 237.299 2.450 10 0 BEAERN CCOc1cccc(N[C@@H](C)CC(=O)OC)c1 ZINC000049565844 170582425 /nfs/dbraw/zinc/58/24/25/170582425.db2.gz VROFAEHQCHARPT-JTQLQIEISA-N 0 0 237.299 2.449 10 0 BEAERN CCCc1nccnc1N1CCC[C@@H]([C@H](C)O)C1 ZINC000663733555 411734339 /nfs/dbraw/zinc/73/43/39/411734339.db2.gz DXCYIKVDEJTSPL-NWDGAFQWSA-N 0 0 249.358 2.026 10 0 BEAERN CCOc1cccc(O[C@@H](C)C(N)=S)c1 ZINC000041246087 170583969 /nfs/dbraw/zinc/58/39/69/170583969.db2.gz WKWQVAOUJDMAMH-QMMMGPOBSA-N 0 0 225.313 2.139 10 0 BEAERN CCCc1nccnc1N[C@H]1CCO[C@@H]1C ZINC000663756587 411740711 /nfs/dbraw/zinc/74/07/11/411740711.db2.gz LAKKTJICIQLTLS-ZJUUUORDSA-N 0 0 221.304 2.018 10 0 BEAERN CCCc1nccnc1NCC1(OC)CCC1 ZINC000663781457 411746323 /nfs/dbraw/zinc/74/63/23/411746323.db2.gz UDHJXSJOVZCHLS-UHFFFAOYSA-N 0 0 235.331 2.410 10 0 BEAERN CCCc1nccnc1N[C@H](C)C[C@H](C)O ZINC000663789343 411747246 /nfs/dbraw/zinc/74/72/46/411747246.db2.gz KDCCHWTYSWBROY-ZJUUUORDSA-N 0 0 223.320 2.000 10 0 BEAERN CCOc1nc(C)nnc1-c1ccccc1 ZINC000000978249 170602460 /nfs/dbraw/zinc/60/24/60/170602460.db2.gz NEPOYNZOOYROQI-UHFFFAOYSA-N 0 0 215.256 2.246 10 0 BEAERN CCOc1ncccc1N[C@H](CC)COC ZINC000070656545 170605017 /nfs/dbraw/zinc/60/50/17/170605017.db2.gz CGVZKUOITPMURG-SNVBAGLBSA-N 0 0 224.304 2.317 10 0 BEAERN CCOc1oc(C)nc1Br ZINC000039099431 170606783 /nfs/dbraw/zinc/60/67/83/170606783.db2.gz NPOSEMOTIOCSDS-UHFFFAOYSA-N 0 0 206.039 2.144 10 0 BEAERN CCCc1nccnc1N[C@H]1C[C@H](O)C1(C)C ZINC000663820353 411754925 /nfs/dbraw/zinc/75/49/25/411754925.db2.gz CHPBGBGTMLCSJY-QWRGUYRKSA-N 0 0 235.331 2.000 10 0 BEAERN CCCc1nccnc1NC[C@H]1CC[C@@H](O)C1 ZINC000663840206 411758799 /nfs/dbraw/zinc/75/87/99/411758799.db2.gz OFPIIURQTHBRQV-WDEREUQCSA-N 0 0 235.331 2.002 10 0 BEAERN CCSc1nc(C=O)c2ccccn21 ZINC000077299654 170657165 /nfs/dbraw/zinc/65/71/65/170657165.db2.gz BHVWZERUAFZVKO-UHFFFAOYSA-N 0 0 206.270 2.259 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CC[C@@H](C)O1 ZINC000663995767 411807000 /nfs/dbraw/zinc/80/70/00/411807000.db2.gz MVJMJRNLTQYQGF-MNOVXSKESA-N 0 0 235.331 2.409 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616623396 411854937 /nfs/dbraw/zinc/85/49/37/411854937.db2.gz FIGHWIWHLUEEKJ-GFCCVEGCSA-N 0 0 233.315 2.127 10 0 BEAERN C[C@H](O)CCNc1cc(F)cc(F)c1F ZINC000133614396 411863315 /nfs/dbraw/zinc/86/33/15/411863315.db2.gz NSYHEYXANOWETJ-LURJTMIESA-N 0 0 219.206 2.287 10 0 BEAERN CC[C@@H](C)Oc1cc2c(cc1N)OCCO2 ZINC000037715656 170766226 /nfs/dbraw/zinc/76/62/26/170766226.db2.gz OAGSSHADSFMAJP-MRVPVSSYSA-N 0 0 223.272 2.217 10 0 BEAERN CN1c2ccccc2CC[C@@H]1c1cc(N)n[nH]1 ZINC000616667728 411894767 /nfs/dbraw/zinc/89/47/67/411894767.db2.gz CKOZFXAVONGFEV-GFCCVEGCSA-N 0 0 228.299 2.116 10 0 BEAERN C[C@H]1CCC[C@H](C)N1C(=O)c1ncccc1N ZINC000132306533 411897121 /nfs/dbraw/zinc/89/71/21/411897121.db2.gz VIPIUFVNHRYKNH-UWVGGRQHSA-N 0 0 233.315 2.067 10 0 BEAERN CC[C@@H](C)c1noc(CCSC)n1 ZINC000336646739 170808473 /nfs/dbraw/zinc/80/84/73/170808473.db2.gz CYYFCPCFDCRXNK-SSDOTTSWSA-N 0 0 200.307 2.489 10 0 BEAERN CC[C@@H](N)c1nnc(-c2sc(C)nc2C)o1 ZINC000083366265 170871876 /nfs/dbraw/zinc/87/18/76/170871876.db2.gz JZLGLZNPEJVDDC-SSDOTTSWSA-N 0 0 238.316 2.220 10 0 BEAERN CC[C@@H](NC(=O)NC1CCC1)c1nccs1 ZINC000125291039 170879034 /nfs/dbraw/zinc/87/90/34/170879034.db2.gz INCLNLRWFPSNQH-SECBINFHSA-N 0 0 239.344 2.446 10 0 BEAERN Cc1nc2ccccc2nc1NC1CC(CO)C1 ZINC000664645728 412004539 /nfs/dbraw/zinc/00/45/39/412004539.db2.gz RORIXRXENVDTSP-UHFFFAOYSA-N 0 0 243.310 2.121 10 0 BEAERN Nc1cc([C@H]2CCc3ccccc3N2)[nH]n1 ZINC000616669669 411948766 /nfs/dbraw/zinc/94/87/66/411948766.db2.gz RHTPFAHPTOKEMZ-SNVBAGLBSA-N 0 0 214.272 2.091 10 0 BEAERN C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C(=O)[O-] ZINC000662211123 412026183 /nfs/dbraw/zinc/02/61/83/412026183.db2.gz MOSZYFUOSCSNMP-ZYHUDNBSSA-N 0 0 225.332 2.219 10 0 BEAERN CC[C@@H]1CCCC[C@H]1Oc1ncc(N)cn1 ZINC000040456010 170971807 /nfs/dbraw/zinc/97/18/07/170971807.db2.gz JXXBEFMTAFXNME-MWLCHTKSSA-N 0 0 221.304 2.406 10 0 BEAERN CC[C@@H]1CC[C@@H]1Nc1cn(C)nc1OC ZINC000336754953 171045174 /nfs/dbraw/zinc/04/51/74/171045174.db2.gz HUVJWWXZYMDYGI-BDAKNGLRSA-N 0 0 209.293 2.029 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(NC)nc1 ZINC000050817345 171110896 /nfs/dbraw/zinc/11/08/96/171110896.db2.gz FNQIXOGYBSJHQG-WCQYABFASA-N 0 0 249.358 2.123 10 0 BEAERN CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(CO)CCCC1 ZINC000051295468 171112350 /nfs/dbraw/zinc/11/23/50/171112350.db2.gz WCVPMVOIUMMGLV-CHWSQXEVSA-N 0 0 241.375 2.038 10 0 BEAERN CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(CC)(CC)CO ZINC000051295429 171112753 /nfs/dbraw/zinc/11/27/53/171112753.db2.gz GNEHJWDCVCXBFJ-CHWSQXEVSA-N 0 0 243.391 2.284 10 0 BEAERN CC[C@@H]1CSC(NC[C@@H]2CCCCO2)=[NH+]1 ZINC000042823875 171113256 /nfs/dbraw/zinc/11/32/56/171113256.db2.gz QKNBWMDJWBXQOR-ZJUUUORDSA-N 0 0 228.361 2.027 10 0 BEAERN CC[C@@H]1N=C(c2ccccc2)C(=O)S1 ZINC000039101056 171143121 /nfs/dbraw/zinc/14/31/21/171143121.db2.gz CWZXHBZBDMAHDB-SECBINFHSA-N 0 0 205.282 2.485 10 0 BEAERN CC[C@@H]1O[C@H](CC(C)C)O[C@@H](O)[C@H]1C ZINC000256011317 171153085 /nfs/dbraw/zinc/15/30/85/171153085.db2.gz XMPSTNFUOLDAMI-XWLWVQCSSA-N 0 0 202.294 2.139 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(Cc2cccs2)n1 ZINC000041052959 171172262 /nfs/dbraw/zinc/17/22/62/171172262.db2.gz OPPCEHYOFJIFIQ-LLVKDONJSA-N 0 0 237.328 2.306 10 0 BEAERN CC[C@@](C)(Nc1cccc(Cl)c1)C(N)=O ZINC000037942586 171178761 /nfs/dbraw/zinc/17/87/61/171178761.db2.gz DSRQAURXIVTBJQ-LLVKDONJSA-N 0 0 226.707 2.406 10 0 BEAERN CC[C@@](C)(O)CN1CCc2c1cccc2F ZINC000189204161 171180645 /nfs/dbraw/zinc/18/06/45/171180645.db2.gz FARBNNTWWJGVEV-CYBMUJFWSA-N 0 0 223.291 2.349 10 0 BEAERN CC[C@@](O)(Cc1cnn(C)c1)c1ccccc1 ZINC000050541502 171194937 /nfs/dbraw/zinc/19/49/37/171194937.db2.gz OGCGMZRDKXEGQJ-CQSZACIVSA-N 0 0 230.311 2.260 10 0 BEAERN CC[C@@]1(C)NC(=O)Nc2sc(N)cc21 ZINC000107064402 171208829 /nfs/dbraw/zinc/20/88/29/171208829.db2.gz YHAFHIZTYRFDDY-SECBINFHSA-N 0 0 211.290 2.091 10 0 BEAERN CC[C@H](C)C(=O)N(C)c1ccccc1N ZINC000050014623 171247111 /nfs/dbraw/zinc/24/71/11/171247111.db2.gz WFZSHIXAGVVWSQ-VIFPVBQESA-N 0 0 206.289 2.278 10 0 BEAERN CC[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000022170041 171254554 /nfs/dbraw/zinc/25/45/54/171254554.db2.gz NKUVFBOLSHLZMH-ZETCQYMHSA-N 0 0 210.252 2.393 10 0 BEAERN CC[C@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000019423556 171254609 /nfs/dbraw/zinc/25/46/09/171254609.db2.gz AFZKJWGIGYZKFC-QMMMGPOBSA-N 0 0 236.340 2.305 10 0 BEAERN CC[C@H](C)CC(=O)N1CCCC[C@H](CO)C1 ZINC000365078388 171258481 /nfs/dbraw/zinc/25/84/81/171258481.db2.gz UNVRNEYLBCDJOM-RYUDHWBXSA-N 0 0 227.348 2.044 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(C)ccc1N ZINC000054492386 171283981 /nfs/dbraw/zinc/28/39/81/171283981.db2.gz CWMDZGLAXRFDIJ-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)CNC(=O)c1cccc(C)c1N ZINC000054466060 171284162 /nfs/dbraw/zinc/28/41/62/171284162.db2.gz PEIILUBNNOQJMD-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)CNc1nccn(CC(C)C)c1=O ZINC000061766849 171289622 /nfs/dbraw/zinc/28/96/22/171289622.db2.gz GSLWJPTVKIUTKT-NSHDSACASA-N 0 0 237.347 2.357 10 0 BEAERN CC[C@H](C)COc1cc2c(cc1CO)OCO2 ZINC000050425491 171291368 /nfs/dbraw/zinc/29/13/68/171291368.db2.gz QEWPHHGQQCFLBD-VIFPVBQESA-N 0 0 238.283 2.333 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(F)c(F)cc1N ZINC000050016605 171304270 /nfs/dbraw/zinc/30/42/70/171304270.db2.gz PYTDETLNZNBSDY-ZETCQYMHSA-N 0 0 242.269 2.418 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccccc1N ZINC000037109133 171305249 /nfs/dbraw/zinc/30/52/49/171305249.db2.gz VRFGSUZPHIXFTQ-VIFPVBQESA-N 0 0 206.289 2.139 10 0 BEAERN CC[C@H](C)N(CC)C(=O)c1cccc(NC)n1 ZINC000051070504 171312103 /nfs/dbraw/zinc/31/21/03/171312103.db2.gz RKANLAMSLSTLOD-JTQLQIEISA-N 0 0 235.331 2.384 10 0 BEAERN CC[C@H](C)N(CCOC)c1ccccc1CO ZINC000042586136 171315399 /nfs/dbraw/zinc/31/53/99/171315399.db2.gz CNHZGQIABOALEN-LBPRGKRZSA-N 0 0 237.343 2.430 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000074629571 171336261 /nfs/dbraw/zinc/33/62/61/171336261.db2.gz GAINJWRKAYZPIO-VIFPVBQESA-N 0 0 244.298 2.000 10 0 BEAERN CC[C@H](C)N[C@@](C)(CC(C)(C)OC)C(=O)OC ZINC000038066813 171346959 /nfs/dbraw/zinc/34/69/59/171346959.db2.gz OKAIHQCCYLQRME-GWCFXTLKSA-N 0 0 245.363 2.121 10 0 BEAERN CC[C@H](C)[NH2+][C@](CC)(C(N)=O)c1ccccc1 ZINC000038065697 171348921 /nfs/dbraw/zinc/34/89/21/171348921.db2.gz MHCSUHAVPAFWEU-FZMZJTMJSA-N 0 0 234.343 2.165 10 0 BEAERN CC[C@H](C)Nc1cc(S(C)(=O)=O)ccc1F ZINC000037058175 171349487 /nfs/dbraw/zinc/34/94/87/171349487.db2.gz DYYRHNICRDWFEA-QMMMGPOBSA-N 0 0 245.319 2.440 10 0 BEAERN CC[C@H](C)Nc1cc(-n2cnnn2)ccc1F ZINC000037773571 171349889 /nfs/dbraw/zinc/34/98/89/171349889.db2.gz KHADEOPBMLZNLV-QMMMGPOBSA-N 0 0 235.266 2.012 10 0 BEAERN CC[C@H](C)OCC(=O)Nc1ccc(N)cc1C ZINC000048263546 171354828 /nfs/dbraw/zinc/35/48/28/171354828.db2.gz YXUQEZBCAOLVIV-JTQLQIEISA-N 0 0 236.315 2.331 10 0 BEAERN CC[C@H](C)Sc1ccc(C(N)=O)cc1N ZINC000035332208 171356836 /nfs/dbraw/zinc/35/68/36/171356836.db2.gz ALJKCAKJSDGCMO-ZETCQYMHSA-N 0 0 224.329 2.258 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2cc(OC)ccc2NC1=O ZINC000155943320 171381835 /nfs/dbraw/zinc/38/18/35/171381835.db2.gz VUJPUGCQJNOSGD-UFBFGSQYSA-N 0 0 234.299 2.474 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1cnn2c1CCCC2 ZINC000126431006 171388181 /nfs/dbraw/zinc/38/81/81/171388181.db2.gz OAHIAGMRCWTTLX-QWRGUYRKSA-N 0 0 249.358 2.384 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)C(=O)c2ncccc2N)C1 ZINC000132622955 412141713 /nfs/dbraw/zinc/14/17/13/412141713.db2.gz WFZCIVKBESRHGM-WDEREUQCSA-N 0 0 247.342 2.315 10 0 BEAERN CC[C@H](C[C@H](C)O)NC(=O)OC(C)(C)C ZINC000039094035 171469338 /nfs/dbraw/zinc/46/93/38/171469338.db2.gz TUOHMCNHHUDBAX-DTWKUNHWSA-N 0 0 217.309 2.061 10 0 BEAERN C[C@H](NC(=O)c1ncccc1N)C1CCCCC1 ZINC000132662637 412181832 /nfs/dbraw/zinc/18/18/32/412181832.db2.gz XRCAZQFZZYNDFG-JTQLQIEISA-N 0 0 247.342 2.362 10 0 BEAERN CC[C@H](NC(=O)[C@H]1CCC[C@H]1C)C(C)(C)O ZINC000358575229 171507553 /nfs/dbraw/zinc/50/75/53/171507553.db2.gz DSQNSFZTYILGHM-VWYCJHECSA-N 0 0 227.348 2.088 10 0 BEAERN CC[C@H](Sc1ccc(Cl)cc1N)C(N)=O ZINC000061677680 171595502 /nfs/dbraw/zinc/59/55/02/171595502.db2.gz VYJKHMZDLFGEEF-QMMMGPOBSA-N 0 0 244.747 2.278 10 0 BEAERN CC1(C)CCC[C@H](NC(=O)c2ncccc2N)C1 ZINC000132824266 412309441 /nfs/dbraw/zinc/30/94/41/412309441.db2.gz GDQPMUQDQYXFMA-JTQLQIEISA-N 0 0 247.342 2.362 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nccn2nc(C)cc12 ZINC000229540404 171680586 /nfs/dbraw/zinc/68/05/86/171680586.db2.gz VQPBJRIPJVUSCS-VHSXEESVSA-N 0 0 216.288 2.248 10 0 BEAERN CCc1cc(N(C)C(CC)CC)n2ncnc2n1 ZINC000301578494 171760351 /nfs/dbraw/zinc/76/03/51/171760351.db2.gz OJLCAJFEXZGOHW-UHFFFAOYSA-N 0 0 247.346 2.312 10 0 BEAERN CCc1cc(NC)nc(Cc2nc(C)cs2)n1 ZINC000055269820 171765722 /nfs/dbraw/zinc/76/57/22/171765722.db2.gz MKZWFXWQPIWXIM-UHFFFAOYSA-N 0 0 248.355 2.436 10 0 BEAERN CCc1ccc(C(=O)Nc2ccc(N)cn2)cc1 ZINC000036903966 171787245 /nfs/dbraw/zinc/78/72/45/171787245.db2.gz WYRSRBFACQPNHE-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CCc1ccc(C(=O)c2cccnc2)[nH]1 ZINC000039100593 171788752 /nfs/dbraw/zinc/78/87/52/171788752.db2.gz WBLZLFPQDZZKLA-UHFFFAOYSA-N 0 0 200.241 2.203 10 0 BEAERN CCc1cccc(-n2nnc(CO)c2C(C)C)c1 ZINC000045892235 171852418 /nfs/dbraw/zinc/85/24/18/171852418.db2.gz NPNCTWMMIYAJFZ-UHFFFAOYSA-N 0 0 245.326 2.445 10 0 BEAERN CCc1cccc(O[C@H](C)C(N)=S)c1 ZINC000041218949 171867224 /nfs/dbraw/zinc/86/72/24/171867224.db2.gz OSALGYUXOCEFQZ-MRVPVSSYSA-N 0 0 209.314 2.302 10 0 BEAERN CCc1nc(N)nc(-c2cc3ccccc3o2)n1 ZINC000104386549 171995904 /nfs/dbraw/zinc/99/59/04/171995904.db2.gz HEICINGVODRCSX-UHFFFAOYSA-N 0 0 240.266 2.429 10 0 BEAERN CCc1nc([C@@H](N)c2ccc(C)cc2C)no1 ZINC000036762736 172003844 /nfs/dbraw/zinc/00/38/44/172003844.db2.gz PWBQUUZBGARHFA-LBPRGKRZSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1ccc([C@H](N)c2noc(CC)n2)s1 ZINC000051720804 172004019 /nfs/dbraw/zinc/00/40/19/172004019.db2.gz ODAWYQUPHBEYBT-JTQLQIEISA-N 0 0 237.328 2.304 10 0 BEAERN CCc1nc([C@H](N)c2ccc(F)c(C)c2)no1 ZINC000050559493 172007678 /nfs/dbraw/zinc/00/76/78/172007678.db2.gz PPPKTNOHWOFSRH-LLVKDONJSA-N 0 0 235.262 2.128 10 0 BEAERN CCc1nc2ccccc2nc1NC(C)=O ZINC000039101866 172014015 /nfs/dbraw/zinc/01/40/15/172014015.db2.gz ZKHVNAZGCDQGAB-UHFFFAOYSA-N 0 0 215.256 2.151 10 0 BEAERN CCc1ncnnc1-c1ccc(OC)cc1 ZINC000039101827 172034019 /nfs/dbraw/zinc/03/40/19/172034019.db2.gz MKZQNTJXKKGFRP-UHFFFAOYSA-N 0 0 215.256 2.110 10 0 BEAERN CCc1nnc(CN(C)c2cccc(C)c2)n1C ZINC000170727555 172048949 /nfs/dbraw/zinc/04/89/49/172048949.db2.gz XNXMEVDIUHNEJC-UHFFFAOYSA-N 0 0 244.342 2.322 10 0 BEAERN CCc1nnc(N[C@H](C)C(C)C)nc1CC ZINC000163154171 172060865 /nfs/dbraw/zinc/06/08/65/172060865.db2.gz PYKSKMKWAAZXOZ-SECBINFHSA-N 0 0 222.336 2.453 10 0 BEAERN CCc1nnc(N[C@H]2C[C@H]2CC)nc1CC ZINC000233921946 172061511 /nfs/dbraw/zinc/06/15/11/172061511.db2.gz HAQJQUDSEWMTHC-KCJUWKMLSA-N 0 0 220.320 2.207 10 0 BEAERN CCc1noc([C@@H]2CNc3ccccc3O2)n1 ZINC000021814098 172090589 /nfs/dbraw/zinc/09/05/89/172090589.db2.gz YWSDGLPXDLYDLQ-JTQLQIEISA-N 0 0 231.255 2.178 10 0 BEAERN CCc1nsc(N[C@@](C)(CC)CCO)n1 ZINC000092684529 172106661 /nfs/dbraw/zinc/10/66/61/172106661.db2.gz POGANVBXEKQGDR-JTQLQIEISA-N 0 0 229.349 2.064 10 0 BEAERN CCc1oncc1NCc1cscn1 ZINC000306200167 172127523 /nfs/dbraw/zinc/12/75/23/172127523.db2.gz UIJKWDRVUDVDAP-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN CCn1c(=S)[nH]nc1-c1cccnc1C ZINC000082480600 172131135 /nfs/dbraw/zinc/13/11/35/172131135.db2.gz UBWFZRZOHMTKKZ-UHFFFAOYSA-N 0 0 220.301 2.331 10 0 BEAERN CCn1c(=O)cc(C)c2cccc(OC)c21 ZINC000032530802 172132643 /nfs/dbraw/zinc/13/26/43/172132643.db2.gz LQPFVCDFSFMHKB-UHFFFAOYSA-N 0 0 217.268 2.338 10 0 BEAERN CCn1c2ccccc2c(=O)[nH]c1=S ZINC000196691365 172132982 /nfs/dbraw/zinc/13/29/82/172132982.db2.gz UJFJCEWFUBANMV-UHFFFAOYSA-N 0 0 206.270 2.079 10 0 BEAERN CCn1c(C)cc(C)c1C(=O)NC(C)C ZINC000035834914 172136168 /nfs/dbraw/zinc/13/61/68/172136168.db2.gz DUGDUTZCXQHGCL-UHFFFAOYSA-N 0 0 208.305 2.263 10 0 BEAERN CCn1c(C)nnc1CN1CCCC(C)(C)C1 ZINC000112702163 172138912 /nfs/dbraw/zinc/13/89/12/172138912.db2.gz WAFJYKGLVIWLKN-UHFFFAOYSA-N 0 0 236.363 2.228 10 0 BEAERN CCn1c(C)nnc1CN[C@H](C)c1ccccc1 ZINC000120701399 172139968 /nfs/dbraw/zinc/13/99/68/172139968.db2.gz KBIGOIBKUKOEPB-LLVKDONJSA-N 0 0 244.342 2.457 10 0 BEAERN CCn1c(C)nnc1COc1cccc(C)c1 ZINC000180307853 172140881 /nfs/dbraw/zinc/14/08/81/172140881.db2.gz JRCXIQNJCDUIGV-UHFFFAOYSA-N 0 0 231.299 2.494 10 0 BEAERN CCn1c(C)nnc1Cn1cnc2ccccc21 ZINC000180307674 172141082 /nfs/dbraw/zinc/14/10/82/172141082.db2.gz KHMHXXCKYXMCDR-UHFFFAOYSA-N 0 0 241.298 2.004 10 0 BEAERN CCn1cc(-c2ccc(OC)c(N)c2)cn1 ZINC000043462525 172148534 /nfs/dbraw/zinc/14/85/34/172148534.db2.gz CCMFMBHZNZVQMA-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1cc(-c2csc(NC)n2)cn1 ZINC000061714266 172148585 /nfs/dbraw/zinc/14/85/85/172148585.db2.gz NQZCDXZBGDKDIL-UHFFFAOYSA-N 0 0 208.290 2.068 10 0 BEAERN CCn1cc(C[NH2+][C@@H](C)C(=O)[O-])c2ccccc21 ZINC000041689503 172171843 /nfs/dbraw/zinc/17/18/43/172171843.db2.gz ARTHUKJTCFEPKK-JTQLQIEISA-N 0 0 246.310 2.224 10 0 BEAERN CCn1cc(C[NH2+][C@H](C)C(=O)[O-])c2ccccc21 ZINC000041689506 172173255 /nfs/dbraw/zinc/17/32/55/172173255.db2.gz ARTHUKJTCFEPKK-SNVBAGLBSA-N 0 0 246.310 2.224 10 0 BEAERN CCn1cc(C[C@H](O)Cc2ccc(F)cc2)cn1 ZINC000050542033 172176767 /nfs/dbraw/zinc/17/67/67/172176767.db2.gz SFFLAQQKYLCJDJ-CQSZACIVSA-N 0 0 248.301 2.188 10 0 BEAERN CCn1cc(NC(C)=O)sc1=S ZINC000002577277 172184237 /nfs/dbraw/zinc/18/42/37/172184237.db2.gz CWWWEKDFPDAILY-UHFFFAOYSA-N 0 0 202.304 2.257 10 0 BEAERN CCn1cc(NCc2ccccc2)ccc1=O ZINC000037774174 172185083 /nfs/dbraw/zinc/18/50/83/172185083.db2.gz ZKULUIDPXHQZEX-UHFFFAOYSA-N 0 0 228.295 2.480 10 0 BEAERN CCn1cc(N[C@@H]2CCCC[C@H]2OC)cn1 ZINC000037261280 172186229 /nfs/dbraw/zinc/18/62/29/172186229.db2.gz QACXSTTUYDKQIF-VXGBXAGGSA-N 0 0 223.320 2.273 10 0 BEAERN CCn1cc(N[C@@H]2CCCC[C@@H]2OC)cn1 ZINC000037261278 172186351 /nfs/dbraw/zinc/18/63/51/172186351.db2.gz QACXSTTUYDKQIF-NEPJUHHUSA-N 0 0 223.320 2.273 10 0 BEAERN CCn1cc(NCc2csc(C)n2)ccc1=O ZINC000037774126 172186933 /nfs/dbraw/zinc/18/69/33/172186933.db2.gz GMIFPHXBUCIYSU-UHFFFAOYSA-N 0 0 249.339 2.245 10 0 BEAERN CCn1cc(N[C@H]2CCCC[C@H]2OC)cn1 ZINC000037261281 172188797 /nfs/dbraw/zinc/18/87/97/172188797.db2.gz QACXSTTUYDKQIF-NWDGAFQWSA-N 0 0 223.320 2.273 10 0 BEAERN CCn1cc(O)c2c1ccc(O)c2OC ZINC000039101225 172189354 /nfs/dbraw/zinc/18/93/54/172189354.db2.gz JXPHVFJUHHZQGV-UHFFFAOYSA-N 0 0 207.229 2.081 10 0 BEAERN CCn1cc/c(=N/C(C)=O)c2ccccc21 ZINC000039101750 172198669 /nfs/dbraw/zinc/19/86/69/172198669.db2.gz IGQZIVQDPUVKHS-OWBHPGMISA-N 0 0 214.268 2.108 10 0 BEAERN CCn1ccnc(NC2(C)CCCC2)c1=O ZINC000061764567 172210766 /nfs/dbraw/zinc/21/07/66/172210766.db2.gz IQUFNGSFPDJPFN-UHFFFAOYSA-N 0 0 221.304 2.008 10 0 BEAERN CCn1ccnc(NCCC2CCCC2)c1=O ZINC000061763552 172210777 /nfs/dbraw/zinc/21/07/77/172210777.db2.gz YPUQTDPMBQEOQN-UHFFFAOYSA-N 0 0 235.331 2.255 10 0 BEAERN CCn1ccnc1CN[C@@H](C)c1ccco1 ZINC000051921487 172224522 /nfs/dbraw/zinc/22/45/22/172224522.db2.gz MXMMZVRDJJHXKR-JTQLQIEISA-N 0 0 219.288 2.347 10 0 BEAERN CCn1ccnc1Cc1cccc(N)c1 ZINC000082734835 172225987 /nfs/dbraw/zinc/22/59/87/172225987.db2.gz NIRMSQUPQYOOGZ-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN CCn1ccnc1Sc1ncccc1N ZINC000050614500 172227037 /nfs/dbraw/zinc/22/70/37/172227037.db2.gz YMPGGNKHSFQEJQ-UHFFFAOYSA-N 0 0 220.301 2.031 10 0 BEAERN CCn1ccnc1[C@H](N)c1cccc(F)c1 ZINC000041048446 172229545 /nfs/dbraw/zinc/22/95/45/172229545.db2.gz APDVYXIBHJHKGH-LLVKDONJSA-N 0 0 219.263 2.090 10 0 BEAERN CCn1cnc(-c2cccc(C)c2)c1N ZINC000104900907 172230794 /nfs/dbraw/zinc/23/07/94/172230794.db2.gz INGOUPXNTWLITR-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1cnnc1-c1ccc(Cl)c(N)c1 ZINC000054497680 172234061 /nfs/dbraw/zinc/23/40/61/172234061.db2.gz NVAGUEMBVLQEHU-UHFFFAOYSA-N 0 0 222.679 2.201 10 0 BEAERN CCn1cnnc1-c1cc(N)ccc1Cl ZINC000054497782 172234111 /nfs/dbraw/zinc/23/41/11/172234111.db2.gz RKHHGWFTRBPOOV-UHFFFAOYSA-N 0 0 222.679 2.201 10 0 BEAERN CCn1nc(-c2cccc(OC)c2)cc1N ZINC000041043631 172241470 /nfs/dbraw/zinc/24/14/70/172241470.db2.gz ZMMCYIPVWRPUKL-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1nc(C)c(-c2cc[nH]c(=S)n2)c1C ZINC000002538089 172242765 /nfs/dbraw/zinc/24/27/65/172242765.db2.gz ZNARVZKKIALRIF-UHFFFAOYSA-N 0 0 234.328 2.266 10 0 BEAERN CCn1nccc1[C@H](C)NCc1ccco1 ZINC000020351431 172276642 /nfs/dbraw/zinc/27/66/42/172276642.db2.gz QENLAHQGZFDTEH-JTQLQIEISA-N 0 0 219.288 2.347 10 0 BEAERN CN(C)C(=O)CCNc1ccc2ccccc2n1 ZINC000037752214 172361515 /nfs/dbraw/zinc/36/15/15/172361515.db2.gz GSYLDNDDSRFMHN-UHFFFAOYSA-N 0 0 243.310 2.125 10 0 BEAERN CN(C)C(=O)CC[C@H]1CCNc2ccccc21 ZINC000068575967 172361889 /nfs/dbraw/zinc/36/18/89/172361889.db2.gz OSDXCIHLRWIEGJ-NSHDSACASA-N 0 0 232.327 2.454 10 0 BEAERN CN(C)C(=O)Oc1cnc2ccccc2c1 ZINC000034189327 172384143 /nfs/dbraw/zinc/38/41/43/172384143.db2.gz DAOIISYPFREZHM-UHFFFAOYSA-N 0 0 216.240 2.295 10 0 BEAERN CN(C)C(=O)c1cc(C(C)(C)C)sc1N ZINC000104932917 172387240 /nfs/dbraw/zinc/38/72/40/172387240.db2.gz AZZXMPGYDDMLMR-UHFFFAOYSA-N 0 0 226.345 2.330 10 0 BEAERN CN(C)C(=O)c1c(O)cccc1CC1CC1 ZINC000095711665 172387271 /nfs/dbraw/zinc/38/72/71/172387271.db2.gz ALSWTZXYZRREAK-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1ccc(-c2ccc(O)cn2)cc1 ZINC000065356019 172388894 /nfs/dbraw/zinc/38/88/94/172388894.db2.gz MNZOAMDANMEDNG-UHFFFAOYSA-N 0 0 242.278 2.156 10 0 BEAERN CN(C)C(=S)/C=C/c1ccc2c(c1)OCO2 ZINC000039125060 172392954 /nfs/dbraw/zinc/39/29/54/172392954.db2.gz LHHXEAFYCVPMNW-GQCTYLIASA-N 0 0 235.308 2.318 10 0 BEAERN CN(C)c1cccc(NCC(C)(C)CO)c1 ZINC000082711389 172568367 /nfs/dbraw/zinc/56/83/67/172568367.db2.gz UHZNMHGTNKKWBE-UHFFFAOYSA-N 0 0 222.332 2.183 10 0 BEAERN CN(C)c1cnc(Cl)c(OC2CC2)c1 ZINC000095727307 172575677 /nfs/dbraw/zinc/57/56/77/172575677.db2.gz KYKMMGROGJATDV-UHFFFAOYSA-N 0 0 212.680 2.342 10 0 BEAERN CN(C)c1cnc(Cl)cc1OC1CC1 ZINC000095719538 172575708 /nfs/dbraw/zinc/57/57/08/172575708.db2.gz AISQCNXLVHJLCV-UHFFFAOYSA-N 0 0 212.680 2.342 10 0 BEAERN CN(CC1CCOCC1)c1cc(N)cc(F)c1 ZINC000104203380 172664025 /nfs/dbraw/zinc/66/40/25/172664025.db2.gz ZBLRDTFBYOUPJR-UHFFFAOYSA-N 0 0 238.306 2.271 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000127815195 172811198 /nfs/dbraw/zinc/81/11/98/172811198.db2.gz MNRIVUGLYNSCGC-SRVKXCTJSA-N 0 0 249.310 2.021 10 0 BEAERN CN(C[C@H]1CCCCO1)c1cccc(N)c1 ZINC000042372981 172826841 /nfs/dbraw/zinc/82/68/41/172826841.db2.gz MXXDOWNFNGMEJZ-CYBMUJFWSA-N 0 0 220.316 2.274 10 0 BEAERN CN(Cc1ccncc1)c1cccc(N)c1 ZINC000036776245 172899746 /nfs/dbraw/zinc/89/97/46/172899746.db2.gz XGAGKQUZJOGZNN-UHFFFAOYSA-N 0 0 213.284 2.300 10 0 BEAERN CN(Cc1ccncc1)c1ccc(N)cc1F ZINC000036776247 172900670 /nfs/dbraw/zinc/90/06/70/172900670.db2.gz YOLCIVKLSXHSFR-UHFFFAOYSA-N 0 0 231.274 2.439 10 0 BEAERN CN1c2cc(Cl)ccc2OCCC1=O ZINC000062525453 172961258 /nfs/dbraw/zinc/96/12/58/172961258.db2.gz YELFXFAPVWPMKE-UHFFFAOYSA-N 0 0 211.648 2.085 10 0 BEAERN CN1CCCC[C@@H]1CNc1nsnc1Cl ZINC000044565918 173006156 /nfs/dbraw/zinc/00/61/56/173006156.db2.gz PZYARMFFQNNURB-SSDOTTSWSA-N 0 0 246.767 2.088 10 0 BEAERN CN1CCCC[C@@H]1c1cc(C=O)cnc1F ZINC000039110451 173008507 /nfs/dbraw/zinc/00/85/07/173008507.db2.gz GSLCNECQKZZUSS-LLVKDONJSA-N 0 0 222.263 2.190 10 0 BEAERN C[N@@H+]1CCC[C@H]1CCOc1ccc(C(=O)[O-])cc1 ZINC000050912908 173053908 /nfs/dbraw/zinc/05/39/08/173053908.db2.gz BPOVAISZUYXVDE-LBPRGKRZSA-N 0 0 249.310 2.248 10 0 BEAERN CN1CCc2cc(Br)cc(C=O)c21 ZINC000082328001 173170225 /nfs/dbraw/zinc/17/02/25/173170225.db2.gz FRJLJJQNFGSJQL-UHFFFAOYSA-N 0 0 240.100 2.254 10 0 BEAERN CN1CCc2cc(Br)oc2C1 ZINC000082370070 173170405 /nfs/dbraw/zinc/17/04/05/173170405.db2.gz MSCXGRKKWADYGO-UHFFFAOYSA-N 0 0 216.078 2.030 10 0 BEAERN CN1CCc2c(Br)scc2C1 ZINC000082345074 173170655 /nfs/dbraw/zinc/17/06/55/173170655.db2.gz XDLYEXQBLQFAMY-UHFFFAOYSA-N 0 0 232.146 2.499 10 0 BEAERN CN1C[C@H](c2ccccc2Cl)OC1=O ZINC000041225846 173196572 /nfs/dbraw/zinc/19/65/72/173196572.db2.gz WATIMYAVFWWLFW-SECBINFHSA-N 0 0 211.648 2.463 10 0 BEAERN CNC(=O)CNc1ccnc2cc(Cl)ccc21 ZINC000037207046 173279072 /nfs/dbraw/zinc/27/90/72/173279072.db2.gz PMLFSZQFFVCDTR-UHFFFAOYSA-N 0 0 249.701 2.046 10 0 BEAERN CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005481548 173279379 /nfs/dbraw/zinc/27/93/79/173279379.db2.gz WGYHXCHOTJAGGD-UHFFFAOYSA-N 0 0 221.300 2.109 10 0 BEAERN CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176365381 173284665 /nfs/dbraw/zinc/28/46/65/173284665.db2.gz UQNBQAZOMGNIME-QMMMGPOBSA-N 0 0 225.317 2.010 10 0 BEAERN CNC(=O)N1CCc2sccc2[C@H]1C ZINC000048645045 173285939 /nfs/dbraw/zinc/28/59/39/173285939.db2.gz DTXHGOAIWSITHM-SSDOTTSWSA-N 0 0 210.302 2.007 10 0 BEAERN CNC(=O)Nc1nsc2ccc(C)cc21 ZINC000006071375 173293523 /nfs/dbraw/zinc/29/35/23/173293523.db2.gz KFYMEKSEMPSBIV-UHFFFAOYSA-N 0 0 221.285 2.356 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000020307704 173295624 /nfs/dbraw/zinc/29/56/24/173295624.db2.gz ABEQZOCEVCOWOT-MRVPVSSYSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@H](C)Nc1cccc(Cl)c1F ZINC000020306807 173304056 /nfs/dbraw/zinc/30/40/56/173304056.db2.gz YCZMUPRITLMKJN-LURJTMIESA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)c1c(N)sc(C)c1C(C)C ZINC000103132970 173309095 /nfs/dbraw/zinc/30/90/95/173309095.db2.gz YOIWXCSCSMTVKT-UHFFFAOYSA-N 0 0 212.318 2.122 10 0 BEAERN CNC(=O)c1cc(N[C@@H]2CCC[C@@H](C)C2)ccn1 ZINC000035673700 173309791 /nfs/dbraw/zinc/30/97/91/173309791.db2.gz WWRPUCRMPONHDZ-GHMZBOCLSA-N 0 0 247.342 2.432 10 0 BEAERN CNC(=S)c1nc2ccccc2s1 ZINC000045237480 173317381 /nfs/dbraw/zinc/31/73/81/173317381.db2.gz CSLHCOJGUDIBKG-UHFFFAOYSA-N 0 0 208.311 2.191 10 0 BEAERN C[NH2+][C@@H]1CCCc2cc(O[C@@H](C)C(=O)[O-])ccc21 ZINC000044745101 173434365 /nfs/dbraw/zinc/43/43/65/173434365.db2.gz IOOSJEACLNYSHB-TVQRCGJNSA-N 0 0 249.310 2.135 10 0 BEAERN C[NH2+][C@](C)(C(=O)[O-])c1c(C)cc(C)cc1C ZINC000037180501 173470035 /nfs/dbraw/zinc/47/00/35/173470035.db2.gz WXYLHIAMYAMMIO-ZDUSSCGKSA-N 0 0 221.300 2.131 10 0 BEAERN CNc1ccc(-c2cc(F)ccc2OC)nn1 ZINC000082546897 173474702 /nfs/dbraw/zinc/47/47/02/173474702.db2.gz SNXJWPUQCBKSSU-UHFFFAOYSA-N 0 0 233.246 2.333 10 0 BEAERN CNc1ccc(OC2CC2)c(OC(C)C)n1 ZINC000095730146 173479675 /nfs/dbraw/zinc/47/96/75/173479675.db2.gz GLAVYXSCPFTMJW-UHFFFAOYSA-N 0 0 222.288 2.452 10 0 BEAERN CNc1ccc(OCC(=O)NC2CCCC2)cc1 ZINC000038057098 173479810 /nfs/dbraw/zinc/47/98/10/173479810.db2.gz YPGTTWPZNFOCCW-UHFFFAOYSA-N 0 0 248.326 2.166 10 0 BEAERN CNc1ncncc1-c1ccccc1OC ZINC000004268060 173489238 /nfs/dbraw/zinc/48/92/38/173489238.db2.gz NCGWBRDEOISNJZ-UHFFFAOYSA-N 0 0 215.256 2.194 10 0 BEAERN COC(=O)C(=S)C(C)c1cccc(O)c1 ZINC000101721268 173495615 /nfs/dbraw/zinc/49/56/15/173495615.db2.gz FXEKBYCMVRQYHV-JXMROGBWSA-N 0 0 224.281 2.226 10 0 BEAERN COC(=O)/C=C\c1cccc2cc[nH]c21 ZINC000077020726 173498379 /nfs/dbraw/zinc/49/83/79/173498379.db2.gz XOLBSBOCRAAKLU-WAYWQWQTSA-N 0 0 201.225 2.354 10 0 BEAERN COC(=O)CCN(C)C(=O)C[C@@H](C)C(C)(C)C ZINC000104446052 173548278 /nfs/dbraw/zinc/54/82/78/173548278.db2.gz KPXOJSOXFWEUPP-SNVBAGLBSA-N 0 0 243.347 2.080 10 0 BEAERN COC(=O)[C@@H](Nc1cc(N)ccc1C)C(C)C ZINC000053735473 173713308 /nfs/dbraw/zinc/71/33/08/173713308.db2.gz WUZOCDVYQKDMMT-LBPRGKRZSA-N 0 0 236.315 2.187 10 0 BEAERN COC(=O)[C@@](C)(Cl)Cc1ccccc1 ZINC000083988581 173754849 /nfs/dbraw/zinc/75/48/49/173754849.db2.gz OOUPJULROAEZBX-NSHDSACASA-N 0 0 212.676 2.400 10 0 BEAERN COC(=O)[C@H](N[C@H](C)c1ccc(C)o1)C(C)C ZINC000069610567 173805795 /nfs/dbraw/zinc/80/57/95/173805795.db2.gz GLFDZOSCQPGXAV-ZYHUDNBSSA-N 0 0 239.315 2.436 10 0 BEAERN COC(=O)c1cc2cccnc2cc1F ZINC000091368597 173864164 /nfs/dbraw/zinc/86/41/64/173864164.db2.gz FCYNUCCBKCJEKS-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN COC(=O)c1ccc(C(F)(F)F)c(C)n1 ZINC000238382627 173871214 /nfs/dbraw/zinc/87/12/14/173871214.db2.gz VDUCJLBIJBSPTC-UHFFFAOYSA-N 0 0 219.162 2.195 10 0 BEAERN COC(=O)c1ccc(COc2ccccc2)nc1 ZINC000094755984 173879513 /nfs/dbraw/zinc/87/95/13/173879513.db2.gz FADMFMVSTNWQBZ-UHFFFAOYSA-N 0 0 243.262 2.447 10 0 BEAERN COC(=O)c1ccc(OCC(C)C)c(N)c1 ZINC000036225716 173887138 /nfs/dbraw/zinc/88/71/38/173887138.db2.gz BGTLYYCQXPFVIQ-UHFFFAOYSA-N 0 0 223.272 2.090 10 0 BEAERN COC(=O)c1cccc(-c2ccc(O)cn2)c1 ZINC000065355912 173892508 /nfs/dbraw/zinc/89/25/08/173892508.db2.gz RTTQDLDETUCHOQ-UHFFFAOYSA-N 0 0 229.235 2.241 10 0 BEAERN COC(OC)(OC)c1ccc(C)c(C)c1 ZINC000098178051 173964213 /nfs/dbraw/zinc/96/42/13/173964213.db2.gz MXRKGWASRUEPKN-UHFFFAOYSA-N 0 0 210.273 2.353 10 0 BEAERN COCCCCCNC(=O)CCCSC ZINC000119580518 174180616 /nfs/dbraw/zinc/18/06/16/174180616.db2.gz XSJQBLPLIDIBNV-UHFFFAOYSA-N 0 0 233.377 2.063 10 0 BEAERN COCCCNc1ccc2cc(N)ccc2n1 ZINC000035343652 174252386 /nfs/dbraw/zinc/25/23/86/174252386.db2.gz UGUJHTCSDXXMQQ-UHFFFAOYSA-N 0 0 231.299 2.265 10 0 BEAERN COCCCOc1ccc(N)c2cccnc12 ZINC000037746816 174256854 /nfs/dbraw/zinc/25/68/54/174256854.db2.gz TVGUHGGPDNUDMR-UHFFFAOYSA-N 0 0 232.283 2.232 10 0 BEAERN COCCCS(=O)(=O)[C@H](C)c1ccccc1 ZINC000129381044 174258596 /nfs/dbraw/zinc/25/85/96/174258596.db2.gz ZAHHXMHMQYDSRO-LLVKDONJSA-N 0 0 242.340 2.199 10 0 BEAERN COCCCc1cc(C)c(C)c(CO)c1 ZINC000115613076 174265825 /nfs/dbraw/zinc/26/58/25/174265825.db2.gz OBSDARSSXARMAF-UHFFFAOYSA-N 0 0 208.301 2.375 10 0 BEAERN COCCCn1ccnc1-c1cccc(N)c1 ZINC000037753818 174266539 /nfs/dbraw/zinc/26/65/39/174266539.db2.gz DSCUPXZUAGILPE-UHFFFAOYSA-N 0 0 231.299 2.169 10 0 BEAERN COCCCn1c2ccccc2nc1[C@H](C)O ZINC000040163893 174266877 /nfs/dbraw/zinc/26/68/77/174266877.db2.gz YIUHKPZABKEZOO-JTQLQIEISA-N 0 0 234.299 2.126 10 0 BEAERN COCCN(CC(=O)c1ccc(C)cc1)C1CC1 ZINC000042518992 174286087 /nfs/dbraw/zinc/28/60/87/174286087.db2.gz BIYXIHFBRIMINK-UHFFFAOYSA-N 0 0 247.338 2.289 10 0 BEAERN COCCOc1ccc(Cl)cc1[C@H](C)O ZINC000041256758 174368636 /nfs/dbraw/zinc/36/86/36/174368636.db2.gz NQNWLJSKSADLSF-QMMMGPOBSA-N 0 0 230.691 2.419 10 0 BEAERN COCCSc1cccc(F)c1N ZINC000037420788 174378231 /nfs/dbraw/zinc/37/82/31/174378231.db2.gz NJQYWGJCARSWDE-UHFFFAOYSA-N 0 0 201.266 2.146 10 0 BEAERN COCC[C@@H](N)c1nc2c(cccc2C)o1 ZINC000052785526 174393042 /nfs/dbraw/zinc/39/30/42/174393042.db2.gz IFGOBDYJHJLRGP-SECBINFHSA-N 0 0 220.272 2.173 10 0 BEAERN COCC[C@@H](N)c1nc(-c2ccccc2C)no1 ZINC000052785385 174393349 /nfs/dbraw/zinc/39/33/49/174393349.db2.gz ZRPSHCFJZDTTSK-LLVKDONJSA-N 0 0 247.298 2.081 10 0 BEAERN COC[C@@H](C)C(=O)N(C)Cc1ccccc1F ZINC000103359320 174434133 /nfs/dbraw/zinc/43/41/33/174434133.db2.gz OCPBCMLHMVOYHA-SNVBAGLBSA-N 0 0 239.290 2.067 10 0 BEAERN COC[C@@H](C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000103364306 174434202 /nfs/dbraw/zinc/43/42/02/174434202.db2.gz RFLRTJSMQXOGAE-GFCCVEGCSA-N 0 0 247.338 2.460 10 0 BEAERN COC[C@@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000103380394 174435828 /nfs/dbraw/zinc/43/58/28/174435828.db2.gz DBKJSYVRDZMFOG-GHMZBOCLSA-N 0 0 233.311 2.419 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000103355830 174437051 /nfs/dbraw/zinc/43/70/51/174437051.db2.gz GIOYIDMRCQOQGH-SECBINFHSA-N 0 0 241.718 2.239 10 0 BEAERN COC[C@@H](C)N(C)c1ccc(C)c(N)c1 ZINC000061701576 174449115 /nfs/dbraw/zinc/44/91/15/174449115.db2.gz GYVNYRGPXBXTBK-SNVBAGLBSA-N 0 0 208.305 2.048 10 0 BEAERN COC[C@H](C)C(=O)N(C)CCc1cccs1 ZINC000173334643 174524661 /nfs/dbraw/zinc/52/46/61/174524661.db2.gz MSVQEYZVRXAKAD-JTQLQIEISA-N 0 0 241.356 2.032 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000117226811 174528499 /nfs/dbraw/zinc/52/84/99/174528499.db2.gz YXSKNFIKIUREGE-DCAQKATOSA-N 0 0 245.388 2.059 10 0 BEAERN COC[C@H](C)C(=O)Oc1cccc2ncccc21 ZINC000171448711 174528654 /nfs/dbraw/zinc/52/86/54/174528654.db2.gz WLTWDOSOYKPDHE-JTQLQIEISA-N 0 0 245.278 2.423 10 0 BEAERN COCc1cc(N)c2ccc(F)c(C)c2n1 ZINC000051698694 174620135 /nfs/dbraw/zinc/62/01/35/174620135.db2.gz OGAXLTULTZWCLL-UHFFFAOYSA-N 0 0 220.247 2.411 10 0 BEAERN COCc1cc(N)c2cc(F)ccc2n1 ZINC000051698553 174620152 /nfs/dbraw/zinc/62/01/52/174620152.db2.gz MCMXWAWFTDNZQH-UHFFFAOYSA-N 0 0 206.220 2.103 10 0 BEAERN COCc1ccc(I)cc1 ZINC000021304501 174627570 /nfs/dbraw/zinc/62/75/70/174627570.db2.gz DCQYAEJVEBYSTJ-UHFFFAOYSA-N 0 0 248.063 2.438 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1nc(C)cs1 ZINC000050374943 174750569 /nfs/dbraw/zinc/75/05/69/174750569.db2.gz UXOPXVFHIURIFI-DTWKUNHWSA-N 0 0 212.318 2.431 10 0 BEAERN COc1c(C)cc(Cl)cc1NC(N)=O ZINC000082595554 174923866 /nfs/dbraw/zinc/92/38/66/174923866.db2.gz HKIADRJHQMKIGN-UHFFFAOYSA-N 0 0 214.652 2.148 10 0 BEAERN COc1c2ccoc2cc2oc(CO)cc(=O)c21 ZINC000005998739 174937035 /nfs/dbraw/zinc/93/70/35/174937035.db2.gz QBZKHNHPZMJJJI-UHFFFAOYSA-N 0 0 246.218 2.040 10 0 biogenic,in-vitro BEAERN COc1cc(-c2cc(N)on2)ccc1F ZINC000082377405 174938298 /nfs/dbraw/zinc/93/82/98/174938298.db2.gz PDPJGUFQXWCBIH-UHFFFAOYSA-N 0 0 208.192 2.072 10 0 BEAERN COc1cc(NCc2ccccc2)nc(C)n1 ZINC000082482558 175003534 /nfs/dbraw/zinc/00/35/34/175003534.db2.gz RZIPDYTYKVJVRE-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COc1cc(OC)cc(OC(F)F)c1 ZINC000041212448 175010240 /nfs/dbraw/zinc/01/02/40/175010240.db2.gz PQSYVDLSBZRLPR-UHFFFAOYSA-N 0 0 204.172 2.305 10 0 BEAERN COc1cc(OC)cc([C@@H](N)C(F)(F)F)c1 ZINC000043464003 175011048 /nfs/dbraw/zinc/01/10/48/175011048.db2.gz CZDLNNOZLPYHOG-SECBINFHSA-N 0 0 235.205 2.266 10 0 BEAERN COc1cc(OC2CC2)cnc1OC(C)C ZINC000095730654 175012649 /nfs/dbraw/zinc/01/26/49/175012649.db2.gz CXWQVKNCMHDTJB-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1cc2c(cc1Br)CCN2 ZINC000082351146 175020336 /nfs/dbraw/zinc/02/03/36/175020336.db2.gz CFJHUCHPEWEUML-UHFFFAOYSA-N 0 0 228.089 2.426 10 0 BEAERN COc1cc([C@H]2CC[C@@H]2O)c(OC)cc1C ZINC000095831260 175016950 /nfs/dbraw/zinc/01/69/50/175016950.db2.gz VHPRRUPLZOBGOU-KOLCDFICSA-N 0 0 222.284 2.251 10 0 BEAERN COc1cc2c(cc1OC)C[C@@H](C)N=C2 ZINC000004262285 175024492 /nfs/dbraw/zinc/02/44/92/175024492.db2.gz JPRGVFYGQHOMSM-MRVPVSSYSA-N 0 0 205.257 2.067 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)cc1C ZINC000065355801 175029605 /nfs/dbraw/zinc/02/96/05/175029605.db2.gz VBANUULLNONGQI-UHFFFAOYSA-N 0 0 215.252 2.359 10 0 BEAERN COc1ccc(-c2cncs2)cc1N ZINC000032010657 175036767 /nfs/dbraw/zinc/03/67/67/175036767.db2.gz ZUPDTWWXCYYFJR-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-c2nc(C)[nH]c(=O)c2C)cc1 ZINC000079067286 175039044 /nfs/dbraw/zinc/03/90/44/175039044.db2.gz AJAAGLXLIQZWOG-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN COc1ccc(-c2nc(CC3CC3)no2)c(O)c1 ZINC000149309235 175039359 /nfs/dbraw/zinc/03/93/59/175039359.db2.gz IWRPIEATTMYHMK-UHFFFAOYSA-N 0 0 246.266 2.403 10 0 BEAERN COc1ccc(-c2scnc2N)cc1 ZINC000082532621 175044310 /nfs/dbraw/zinc/04/43/10/175044310.db2.gz BXQGMIOUACRIKA-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-n2ncc3c2CCC[C@H]3O)cc1 ZINC000072415640 175044756 /nfs/dbraw/zinc/04/47/56/175044756.db2.gz HOJAHEXFUJMXON-CQSZACIVSA-N 0 0 244.294 2.251 10 0 BEAERN COc1ccc(-n2ncc([C@@H](C)O)c2C)cc1 ZINC000072415138 175044925 /nfs/dbraw/zinc/04/49/25/175044925.db2.gz HQJPKXSHAYBLLT-SNVBAGLBSA-N 0 0 232.283 2.243 10 0 BEAERN COc1ccc(/C=C\C2OCCO2)cc1 ZINC000090547318 175049088 /nfs/dbraw/zinc/04/90/88/175049088.db2.gz IBYAEVIDXHRTGE-DAXSKMNVSA-N 0 0 206.241 2.081 10 0 BEAERN COc1ccc(Br)c2c1C(=O)OC2 ZINC000096986855 175051197 /nfs/dbraw/zinc/05/11/97/175051197.db2.gz BYNUDOVYMIDAOM-UHFFFAOYSA-N 0 0 243.056 2.128 10 0 BEAERN COc1ccc(C(=O)C(F)(F)OC)cc1 ZINC000039055668 175052714 /nfs/dbraw/zinc/05/27/14/175052714.db2.gz MEAUMUUCIGDBGB-UHFFFAOYSA-N 0 0 216.183 2.117 10 0 BEAERN COc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1N ZINC000036782768 175054378 /nfs/dbraw/zinc/05/43/78/175054378.db2.gz MTBBZHCOMCVWSJ-SECBINFHSA-N 0 0 248.326 2.148 10 0 BEAERN COc1ccc(C(=O)[C@H]2CCCOC2)cc1F ZINC000062229467 175066122 /nfs/dbraw/zinc/06/61/22/175066122.db2.gz VPEQILWCXPEFBI-JTQLQIEISA-N 0 0 238.258 2.444 10 0 BEAERN COc1ccc(C)cc1-c1cc(N)no1 ZINC000049812844 175071646 /nfs/dbraw/zinc/07/16/46/175071646.db2.gz JZEKSEPRDYJNFU-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(C)cc1CC1(O)CCOCC1 ZINC000063076844 175073818 /nfs/dbraw/zinc/07/38/18/175073818.db2.gz YVMRMKODDLPUIH-UHFFFAOYSA-N 0 0 236.311 2.088 10 0 BEAERN COc1ccc(C)cc1NC(=O)CC[C@@H](C)O ZINC000049828728 175077449 /nfs/dbraw/zinc/07/74/49/175077449.db2.gz IRTDUYGDIFIDIZ-SNVBAGLBSA-N 0 0 237.299 2.103 10 0 BEAERN COc1ccc(C)cc1[C@H](O)[C@H]1CCCOC1 ZINC000062240127 175082083 /nfs/dbraw/zinc/08/20/83/175082083.db2.gz SXTSWANDWAPOIG-SMDDNHRTSA-N 0 0 236.311 2.464 10 0 BEAERN COc1ccc(C=O)c(OC)c1Br ZINC000034227366 175085788 /nfs/dbraw/zinc/08/57/88/175085788.db2.gz QXSWWYIZFZHXNS-UHFFFAOYSA-N 0 0 245.072 2.279 10 0 BEAERN COc1ccc(CN[C@@H](C)c2ccc(C)o2)nn1 ZINC000283306849 175109484 /nfs/dbraw/zinc/10/94/84/175109484.db2.gz YURILCKSGPOHSY-JTQLQIEISA-N 0 0 247.298 2.237 10 0 BEAERN COc1ccc(CN[C@H](C)c2ccc(C)o2)nn1 ZINC000283306850 175111013 /nfs/dbraw/zinc/11/10/13/175111013.db2.gz YURILCKSGPOHSY-SNVBAGLBSA-N 0 0 247.298 2.237 10 0 BEAERN COc1ccc(COc2cc(N)ccn2)cc1 ZINC000043569525 175114400 /nfs/dbraw/zinc/11/44/00/175114400.db2.gz RPSRJFSFOHEIHW-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1ccc(C[C@@](C)(O)C2CC2)cc1OC ZINC000057527192 175116570 /nfs/dbraw/zinc/11/65/70/175116570.db2.gz QNDSYFPBOUQTAX-CQSZACIVSA-N 0 0 236.311 2.407 10 0 BEAERN COc1ccc(Cl)cc1-c1cnn(C)c1N ZINC000042413648 175119682 /nfs/dbraw/zinc/11/96/82/175119682.db2.gz ACHKKPAXQITVIK-UHFFFAOYSA-N 0 0 237.690 2.331 10 0 BEAERN COc1ccc(Cl)cc1-c1cc(N)n(C)n1 ZINC000036938246 175119911 /nfs/dbraw/zinc/11/99/11/175119911.db2.gz WOMAMFWBSOQXLU-UHFFFAOYSA-N 0 0 237.690 2.331 10 0 BEAERN COc1ccc(Cl)cc1CNc1nc[nH]n1 ZINC000020879893 175120225 /nfs/dbraw/zinc/12/02/25/175120225.db2.gz NYEZBYXLXQAKHQ-UHFFFAOYSA-N 0 0 238.678 2.079 10 0 BEAERN COc1ccc(Cl)cc1[C@@H](C)CO ZINC000041210454 175121877 /nfs/dbraw/zinc/12/18/77/175121877.db2.gz HBKZDDHIKCSVBO-ZETCQYMHSA-N 0 0 200.665 2.444 10 0 BEAERN COc1ccc(Cl)cc1[C@H](N)c1ncccn1 ZINC000055222774 175123317 /nfs/dbraw/zinc/12/33/17/175123317.db2.gz CUTKNIVCOGMDMI-NSHDSACASA-N 0 0 249.701 2.187 10 0 BEAERN COc1ccc(F)cc1-c1cc(N)nc(C)n1 ZINC000071536763 175127623 /nfs/dbraw/zinc/12/76/23/175127623.db2.gz UGYKLXBYHLGBTF-UHFFFAOYSA-N 0 0 233.246 2.182 10 0 BEAERN COc1ccc(F)cc1-c1ccc(CO)cn1 ZINC000039927634 175127713 /nfs/dbraw/zinc/12/77/13/175127713.db2.gz GXUATMLLSRMYMW-UHFFFAOYSA-N 0 0 233.242 2.389 10 0 BEAERN COc1ccc(F)cc1[C@@H](N)C(F)(F)F ZINC000020470435 175131884 /nfs/dbraw/zinc/13/18/84/175131884.db2.gz BMQWJIKEXIPWGD-MRVPVSSYSA-N 0 0 223.169 2.396 10 0 BEAERN COc1ccc(F)cc1[C@H](N)c1cscn1 ZINC000062355056 175134635 /nfs/dbraw/zinc/13/46/35/175134635.db2.gz PVWQHMAMHGGEIO-NSHDSACASA-N 0 0 238.287 2.339 10 0 BEAERN COc1ccc(N(C)C2=NC2(C)C)cc1 ZINC000039105285 175136199 /nfs/dbraw/zinc/13/61/99/175136199.db2.gz XCBYXYDUXSTTSL-UHFFFAOYSA-N 0 0 204.273 2.322 10 0 BEAERN COc1ccc(N)c(C(=O)N[C@H](C)C(C)C)c1 ZINC000037846874 175136986 /nfs/dbraw/zinc/13/69/86/175136986.db2.gz BSSMAGZKQROZKP-SECBINFHSA-N 0 0 236.315 2.052 10 0 BEAERN COc1ccc(N)c(C(=O)NC2CCCCC2)c1 ZINC000037846637 175137131 /nfs/dbraw/zinc/13/71/31/175137131.db2.gz MGVKTPPPQMHCAB-UHFFFAOYSA-N 0 0 248.326 2.340 10 0 BEAERN COc1ccc(N)c(-c2nc(C(C)C)no2)c1 ZINC000082546989 175137350 /nfs/dbraw/zinc/13/73/50/175137350.db2.gz YKJUPVZXSGLYME-UHFFFAOYSA-N 0 0 233.271 2.451 10 0 BEAERN COc1ccc(N)c(C(=O)NCCC(C)C)c1 ZINC000037846816 175137502 /nfs/dbraw/zinc/13/75/02/175137502.db2.gz DPNRUYVSYIEYIR-UHFFFAOYSA-N 0 0 236.315 2.053 10 0 BEAERN COc1ccc(N)cc1Cn1cc(Cl)cn1 ZINC000038053306 175138235 /nfs/dbraw/zinc/13/82/35/175138235.db2.gz YJHGVAJPFXWICX-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN COc1ccc(N)cc1NC(=O)OCC(C)C ZINC000019815567 175138620 /nfs/dbraw/zinc/13/86/20/175138620.db2.gz KBAYTGVIUPEJQF-UHFFFAOYSA-N 0 0 238.287 2.482 10 0 BEAERN COc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1F ZINC000076034545 175144091 /nfs/dbraw/zinc/14/40/91/175144091.db2.gz WVXNEDMWSZLYDZ-XCBNKYQSSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1F ZINC000076034546 175144110 /nfs/dbraw/zinc/14/41/10/175144110.db2.gz WVXNEDMWSZLYDZ-XVKPBYJWSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(NC(=O)c2occc2C)cc1N ZINC000036269779 175148905 /nfs/dbraw/zinc/14/89/05/175148905.db2.gz PQTJLAHZGLGLCZ-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NC(C)=S)c(OC)c1 ZINC000001506998 175149718 /nfs/dbraw/zinc/14/97/18/175149718.db2.gz BGHXKFBMLRUNLF-UHFFFAOYSA-N 0 0 211.286 2.463 10 0 BEAERN COc1ccc(NC[C@H]2CCOC2)cc1OC ZINC000019908812 175151901 /nfs/dbraw/zinc/15/19/01/175151901.db2.gz LNINYGOZFVWKLH-SNVBAGLBSA-N 0 0 237.299 2.152 10 0 BEAERN COc1ccc(NCc2cccnc2)cc1O ZINC000037134610 175152363 /nfs/dbraw/zinc/15/23/63/175152363.db2.gz RPRNHRFSFWNUEB-UHFFFAOYSA-N 0 0 230.267 2.408 10 0 BEAERN COc1ccc(NCc2nccn2C)c(OC)c1 ZINC000034937805 175153162 /nfs/dbraw/zinc/15/31/62/175153162.db2.gz HXTFUGDEVLUYPZ-UHFFFAOYSA-N 0 0 247.298 2.049 10 0 BEAERN COc1ccc(N[C@@H]2CCCSC2)cn1 ZINC000061570573 175153937 /nfs/dbraw/zinc/15/39/37/175153937.db2.gz TWFKFGFPKCQCAT-SNVBAGLBSA-N 0 0 224.329 2.398 10 0 BEAERN COc1ccc(N[C@@H](C)c2cc[nH]n2)cc1O ZINC000037908143 175154211 /nfs/dbraw/zinc/15/42/11/175154211.db2.gz NWVYUFVMTAVQAE-QMMMGPOBSA-N 0 0 233.271 2.297 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@@H]2O)cc1 ZINC000037689971 175155483 /nfs/dbraw/zinc/15/54/83/175155483.db2.gz WNMKUSDJPFVKRD-RYUDHWBXSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccc(OC)c(C(=O)C2CC2)c1 ZINC000011628497 175164394 /nfs/dbraw/zinc/16/43/94/175164394.db2.gz PZDNXNRGRPAMSH-UHFFFAOYSA-N 0 0 206.241 2.297 10 0 BEAERN COc1ccc(OC)c([C@@H]2OCCS2)c1 ZINC000090530005 175168267 /nfs/dbraw/zinc/16/82/67/175168267.db2.gz BOLDZMPKKTULLO-LLVKDONJSA-N 0 0 226.297 2.466 10 0 BEAERN COc1ccc(OC)c2c1[nH]c(C)c(C)c2=O ZINC000037947584 175169434 /nfs/dbraw/zinc/16/94/34/175169434.db2.gz YVDXWANQOFNYPS-UHFFFAOYSA-N 0 0 233.267 2.162 10 0 BEAERN COc1ccc(OC)c2c1CCC[C@@H]2O ZINC000019727019 175170450 /nfs/dbraw/zinc/17/04/50/175170450.db2.gz DCAJLZKKHXCTQS-VIFPVBQESA-N 0 0 208.257 2.074 10 0 BEAERN COc1ccc(OCC(F)(F)F)c(N)c1 ZINC000022148605 175171816 /nfs/dbraw/zinc/17/18/16/175171816.db2.gz WYIZPHDLKDPPJX-UHFFFAOYSA-N 0 0 221.178 2.219 10 0 BEAERN COc1ccc(Oc2ccnc(C)n2)c(N)c1 ZINC000054936627 175173781 /nfs/dbraw/zinc/17/37/81/175173781.db2.gz WTKHRDNPHSKFKP-UHFFFAOYSA-N 0 0 231.255 2.168 10 0 BEAERN COc1ccc([C@@H]2CC[C@@H](O)C2)cc1OC ZINC000057514790 175183435 /nfs/dbraw/zinc/18/34/35/175183435.db2.gz WTZGNIGPACXIPN-MWLCHTKSSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc([C@H](C)NCc2cn[nH]c2)c(F)c1 ZINC000038006312 175189541 /nfs/dbraw/zinc/18/95/41/175189541.db2.gz PYWQHLZTZQMFHX-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN COc1ccc([C@H]([NH3+])CCC(=O)[O-])cc1Cl ZINC000020522308 175191777 /nfs/dbraw/zinc/19/17/77/175191777.db2.gz YZUPXNKRDKFEQB-SECBINFHSA-N 0 0 243.690 2.213 10 0 BEAERN COc1ccc([C@H](O)C2CC2)c(OC)c1 ZINC000036158440 175193573 /nfs/dbraw/zinc/19/35/73/175193573.db2.gz AILJQYXIGBQFLC-GFCCVEGCSA-N 0 0 208.257 2.147 10 0 BEAERN COc1ccc2[nH]cc(CCCO)c2c1 ZINC000020439637 175202938 /nfs/dbraw/zinc/20/29/38/175202938.db2.gz WNOKNPQVKXNVFV-UHFFFAOYSA-N 0 0 205.257 2.101 10 0 BEAERN COc1ccc2c(Cl)c(C=O)c(=O)oc2c1 ZINC000019944489 175204421 /nfs/dbraw/zinc/20/44/21/175204421.db2.gz ISMYIGLBVUWLBI-UHFFFAOYSA-N 0 0 238.626 2.268 10 0 BEAERN COc1ccc2c(c1)C1(CCCC1)C(=O)N2 ZINC000041229886 175206618 /nfs/dbraw/zinc/20/66/18/175206618.db2.gz IDRCXQGELANTIJ-UHFFFAOYSA-N 0 0 217.268 2.459 10 0 BEAERN COc1ccc2c(c1)[C@H](O)[C@H](n1ccnc1)CC2 ZINC000027327108 175217305 /nfs/dbraw/zinc/21/73/05/175217305.db2.gz VVFFIGADLXLSFZ-KGLIPLIRSA-N 0 0 244.294 2.113 10 0 BEAERN COc1ccc2c(c1)c(C(C)=O)cn2C ZINC000071492560 175217877 /nfs/dbraw/zinc/21/78/77/175217877.db2.gz YOOZSYHGSPBAGN-UHFFFAOYSA-N 0 0 203.241 2.390 10 0 BEAERN COc1ccc2c(c1)c(C)c(C=O)n2C ZINC000082381172 175218007 /nfs/dbraw/zinc/21/80/07/175218007.db2.gz POIGEIFDRLEEMA-UHFFFAOYSA-N 0 0 203.241 2.308 10 0 BEAERN COc1ccc2c3c1C(=O)CC[C@@H]3CO2 ZINC000001617918 175223419 /nfs/dbraw/zinc/22/34/19/175223419.db2.gz FVNOBZGVALPCAP-SSDOTTSWSA-N 0 0 204.225 2.148 10 0 BEAERN COc1ccc2cccc([C@@H]3CNC(=O)C3)c2c1 ZINC000013781784 175225766 /nfs/dbraw/zinc/22/57/66/175225766.db2.gz CLLSLXZFUZRTBA-NSHDSACASA-N 0 0 241.290 2.452 10 0 BEAERN COc1ccc2nc(C)c(C)nc2c1OC ZINC000098180596 175227358 /nfs/dbraw/zinc/22/73/58/175227358.db2.gz XDJQECXFNFMBQX-UHFFFAOYSA-N 0 0 218.256 2.264 10 0 BEAERN COc1ccc2nc(Cl)nc(OC)c2c1 ZINC000095756340 175228913 /nfs/dbraw/zinc/22/89/13/175228913.db2.gz QPRPCOUSQCENMQ-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN COc1cccc(-c2cc(=O)cc[nH]2)c1F ZINC000065355825 175233331 /nfs/dbraw/zinc/23/33/31/175233331.db2.gz XUKRDKKXMGPKQV-UHFFFAOYSA-N 0 0 219.215 2.190 10 0 BEAERN COc1cccc(-c2cnc(CO)s2)c1 ZINC000045206042 175235660 /nfs/dbraw/zinc/23/56/60/175235660.db2.gz RIIDAMFDIYQOHA-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1cccc(-c2noc(N)c2C)c1OC ZINC000036937245 175238754 /nfs/dbraw/zinc/23/87/54/175238754.db2.gz ULBNXQBSEULDQM-UHFFFAOYSA-N 0 0 234.255 2.249 10 0 BEAERN COc1cccc(C(=O)N(C)C[C@@H]2C[C@@H]2C)c1O ZINC000104422364 175242000 /nfs/dbraw/zinc/24/20/00/175242000.db2.gz UWOGMVOSVQRJGQ-UWVGGRQHSA-N 0 0 249.310 2.129 10 0 BEAERN COc1cccc(C(=O)NC2(C)CCC2)c1O ZINC000124654931 175244492 /nfs/dbraw/zinc/24/44/92/175244492.db2.gz SALYWBZGDHHKJG-UHFFFAOYSA-N 0 0 235.283 2.073 10 0 BEAERN COc1cccc(C2=NC(C)(C)CO2)c1 ZINC000039018598 175249277 /nfs/dbraw/zinc/24/92/77/175249277.db2.gz KNJPRRWSGIDBCM-UHFFFAOYSA-N 0 0 205.257 2.251 10 0 BEAERN COc1cccc(CCNCC(F)(F)F)c1 ZINC000037973970 175252708 /nfs/dbraw/zinc/25/27/08/175252708.db2.gz GBQPQQMJLZHWTJ-UHFFFAOYSA-N 0 0 233.233 2.390 10 0 BEAERN COc1cccc(CC[C@@H](C)O)c1OC ZINC000062153354 175254109 /nfs/dbraw/zinc/25/41/09/175254109.db2.gz SWNGVIBJXSNDMW-SECBINFHSA-N 0 0 210.273 2.017 10 0 BEAERN COc1cccc(CNC(=O)[C@H]2CC=CCC2)n1 ZINC000128389302 175262364 /nfs/dbraw/zinc/26/23/64/175262364.db2.gz KWFVKEPWPSUOPU-NSHDSACASA-N 0 0 246.310 2.063 10 0 BEAERN COc1cccc(CN[C@H](C)c2cc[nH]n2)c1 ZINC000037908336 175268378 /nfs/dbraw/zinc/26/83/78/175268378.db2.gz LAHKCJOBQOCRCF-SNVBAGLBSA-N 0 0 231.299 2.269 10 0 BEAERN COc1cccc(C[C@H](O)c2cccnc2)c1 ZINC000040907552 175272241 /nfs/dbraw/zinc/27/22/41/175272241.db2.gz MINLLKFUWPRJTK-AWEZNQCLSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc(N(C)C)c1OC1CC1 ZINC000095730071 175275672 /nfs/dbraw/zinc/27/56/72/175275672.db2.gz FKWFADXHKXVJKM-UHFFFAOYSA-N 0 0 207.273 2.302 10 0 BEAERN COc1cccc(NCCc2ccncc2)n1 ZINC000104120763 175278701 /nfs/dbraw/zinc/27/87/01/175278701.db2.gz MIGLNFRQVNSZDV-UHFFFAOYSA-N 0 0 229.283 2.140 10 0 BEAERN COc1cccc(N[C@@H](C)C(=O)NC(C)C)c1 ZINC000020304411 175279513 /nfs/dbraw/zinc/27/95/13/175279513.db2.gz UWVFMWWXWHIYAU-JTQLQIEISA-N 0 0 236.315 2.020 10 0 BEAERN COc1cccc(N[C@H]2CCCC[C@H]2O)c1 ZINC000037691292 175280361 /nfs/dbraw/zinc/28/03/61/175280361.db2.gz OVTBENIXXOONJI-QWHCGFSZSA-N 0 0 221.300 2.411 10 0 BEAERN COc1cccc(Oc2ccncc2N)c1 ZINC000020370587 175284707 /nfs/dbraw/zinc/28/47/07/175284707.db2.gz NSHRJAQJJNXZSZ-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1cccc([C@@H](O)C(C)C)c1OC ZINC000082676429 175288674 /nfs/dbraw/zinc/28/86/74/175288674.db2.gz XQGOBEURMFRJRO-NSHDSACASA-N 0 0 210.273 2.393 10 0 BEAERN COc1cccc2cc(C=O)cc(O)c21 ZINC000013335459 175306412 /nfs/dbraw/zinc/30/64/12/175306412.db2.gz OMMHMZUAQUNDME-UHFFFAOYSA-N 0 0 202.209 2.367 10 0 BEAERN COc1cccc2c1cc(C(=O)NC1CC1)n2C ZINC000040788513 175306495 /nfs/dbraw/zinc/30/64/95/175306495.db2.gz DQCMYKKKORMATD-UHFFFAOYSA-N 0 0 244.294 2.079 10 0 BEAERN COc1cccc2c1cc1n2CCC1=O ZINC000095626990 175306918 /nfs/dbraw/zinc/30/69/18/175306918.db2.gz UGWKVCNCALVVHA-UHFFFAOYSA-N 0 0 201.225 2.236 10 0 BEAERN COc1cccc2nc(Br)cn21 ZINC000082359465 175307280 /nfs/dbraw/zinc/30/72/80/175307280.db2.gz XGYDILZHJMAJDE-UHFFFAOYSA-N 0 0 227.061 2.105 10 0 BEAERN COc1ccccc1-c1cc(C)nc(N)n1 ZINC000044119558 175309061 /nfs/dbraw/zinc/30/90/61/175309061.db2.gz FRACDPKWXUTXLU-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccccc1-c1nc(C)c(C)c(=O)[nH]1 ZINC000037947676 175310433 /nfs/dbraw/zinc/31/04/33/175310433.db2.gz CVOLIUFMMRXCBV-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN COc1ccccc1-c1nncc(OC)c1OC ZINC000091365941 175311892 /nfs/dbraw/zinc/31/18/92/175311892.db2.gz FEKWZNHAIGPCKF-UHFFFAOYSA-N 0 0 246.266 2.169 10 0 BEAERN COc1ccccc1C[C@](C)(O)C1CC1 ZINC000043457616 175333501 /nfs/dbraw/zinc/33/35/01/175333501.db2.gz PIVJIEPCNBDRKI-ZDUSSCGKSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccccc1C[C@H](O)[C@@H]1CCCOC1 ZINC000062244321 175333750 /nfs/dbraw/zinc/33/37/50/175333750.db2.gz DPUDHCKAYJHJBO-OLZOCXBDSA-N 0 0 236.311 2.025 10 0 BEAERN COc1ccccc1Cc1nc(C)c(C)c(N)n1 ZINC000050847377 175335320 /nfs/dbraw/zinc/33/53/20/175335320.db2.gz QMOFERWJAXPZLW-UHFFFAOYSA-N 0 0 243.310 2.275 10 0 BEAERN COc1ccccc1NCc1cnccn1 ZINC000054765403 175337904 /nfs/dbraw/zinc/33/79/04/175337904.db2.gz XMLIAQARUBNBJI-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccccc1N[C@@](C)(C(N)=O)C(C)C ZINC000037944779 175338645 /nfs/dbraw/zinc/33/86/45/175338645.db2.gz SYBPJTPWVWLILW-CYBMUJFWSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccccc1Oc1c(C=O)c(C)nn1C ZINC000020445448 175342845 /nfs/dbraw/zinc/34/28/45/175342845.db2.gz QNNYIUUFAUVFJM-UHFFFAOYSA-N 0 0 246.266 2.342 10 0 BEAERN COc1ccccc1[C@@H](CC(=O)[O-])[NH+]1CCCC1 ZINC000057537592 175346501 /nfs/dbraw/zinc/34/65/01/175346501.db2.gz VMVLROZUVUITQV-GFCCVEGCSA-N 0 0 249.310 2.307 10 0 BEAERN COc1ccccc1[C@@](C)(O)c1cccnc1 ZINC000037761305 175349691 /nfs/dbraw/zinc/34/96/91/175349691.db2.gz GLXLKZCGCSWJBU-AWEZNQCLSA-N 0 0 229.279 2.346 10 0 BEAERN COc1ccccc1[C@H](C)NCc1c[nH]cn1 ZINC000054763454 175352384 /nfs/dbraw/zinc/35/23/84/175352384.db2.gz IMVPHKJZMPCELN-JTQLQIEISA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccccc1[C@H](O)c1cncc(F)c1 ZINC000049577009 175354610 /nfs/dbraw/zinc/35/46/10/175354610.db2.gz UUMCHUYSVVSHFL-CYBMUJFWSA-N 0 0 233.242 2.311 10 0 BEAERN COc1cccn2cc(-c3cccnc3)nc12 ZINC000077001969 175356058 /nfs/dbraw/zinc/35/60/58/175356058.db2.gz YSXVTNUGQXWBDH-UHFFFAOYSA-N 0 0 225.251 2.405 10 0 BEAERN COc1ccnc(Oc2cccc(C(C)=O)c2)n1 ZINC000058825661 175368653 /nfs/dbraw/zinc/36/86/53/175368653.db2.gz YXUCWMQVQKZFBB-UHFFFAOYSA-N 0 0 244.250 2.480 10 0 BEAERN COc1nc(Nc2ccccc2)ccc1N ZINC000037067188 175395346 /nfs/dbraw/zinc/39/53/46/175395346.db2.gz ZWFMSXWYSNJPOG-UHFFFAOYSA-N 0 0 215.256 2.416 10 0 BEAERN COc1nc2ccc(Cl)nc2s1 ZINC000140122206 175396686 /nfs/dbraw/zinc/39/66/86/175396686.db2.gz UBRVSUJVBIDXAF-UHFFFAOYSA-N 0 0 200.650 2.353 10 0 BEAERN COc1nccc(NCc2ccccc2)n1 ZINC000307395331 175404092 /nfs/dbraw/zinc/40/40/92/175404092.db2.gz NMWCLQGWLRRFNM-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ncnc(N[C@@H](C)c2ccccc2)c1N ZINC000082488145 175413812 /nfs/dbraw/zinc/41/38/12/175413812.db2.gz SMZWQLIFVAFIJZ-VIFPVBQESA-N 0 0 244.298 2.241 10 0 BEAERN COc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006019389 175417030 /nfs/dbraw/zinc/41/70/30/175417030.db2.gz ZFMXLEKTIPSDTG-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN CSCCCCC(=O)N1CCS[C@@H](C)C1 ZINC000121288426 175472595 /nfs/dbraw/zinc/47/25/95/175472595.db2.gz XGHBSVQHTDVGNN-JTQLQIEISA-N 0 0 247.429 2.484 10 0 BEAERN CS[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000038063563 175537169 /nfs/dbraw/zinc/53/71/69/175537169.db2.gz GOKVZKIGOXUDPT-LURJTMIESA-N 0 0 228.292 2.098 10 0 BEAERN CSc1cc(OC2CC2)cc(C(N)=O)c1 ZINC000095732727 175573221 /nfs/dbraw/zinc/57/32/21/175573221.db2.gz ZVXGRHSYCYPZNR-UHFFFAOYSA-N 0 0 223.297 2.049 10 0 BEAERN CSc1ncc(Br)cc1N ZINC000040714060 175589694 /nfs/dbraw/zinc/58/96/94/175589694.db2.gz FTCRQFOWUPVTHA-UHFFFAOYSA-N 0 0 219.107 2.148 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@@H]1CCCO)C(C)(F)F ZINC000336899022 175605396 /nfs/dbraw/zinc/60/53/96/175605396.db2.gz QXQZVYDILBGGCZ-VHSXEESVSA-N 0 0 249.301 2.041 10 0 BEAERN CCC(CC)NC(=O)NCc1cscn1 ZINC000051311639 322931522 /nfs/dbraw/zinc/93/15/22/322931522.db2.gz RWYZGZKNJKHERK-UHFFFAOYSA-N 0 0 227.333 2.131 10 0 BEAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000057939249 175626020 /nfs/dbraw/zinc/62/60/20/175626020.db2.gz DXIJEACDLOSRLC-HZGVNTEJSA-N 0 0 213.664 2.061 10 0 BEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C/C=C/Cl ZINC000177046311 175627973 /nfs/dbraw/zinc/62/79/73/175627973.db2.gz RVLOTABXNXMWCK-UCUJLANTSA-N 0 0 233.739 2.401 10 0 BEAERN C[C@@H](C1CC1)N(C)C(=O)c1cccc(F)c1N ZINC000054207839 175632888 /nfs/dbraw/zinc/63/28/88/175632888.db2.gz KAIPIRCXNDLVCO-QMMMGPOBSA-N 0 0 236.290 2.278 10 0 BEAERN C[C@@H](C1CC1)n1nccc1NC(=O)c1cc[nH]c1 ZINC000110691047 175635545 /nfs/dbraw/zinc/63/55/45/175635545.db2.gz MVBXETVSLGZTMV-VIFPVBQESA-N 0 0 244.298 2.435 10 0 BEAERN C[C@@H](CC(=O)Nc1cc[nH]n1)C(C)(C)C ZINC000082618936 175642435 /nfs/dbraw/zinc/64/24/35/175642435.db2.gz SUVJDYRPGOTUMG-QMMMGPOBSA-N 0 0 209.293 2.421 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)CNc1ccccc1 ZINC000070103862 175655171 /nfs/dbraw/zinc/65/51/71/175655171.db2.gz OKWPRIBPEIYIOI-NSHDSACASA-N 0 0 232.327 2.403 10 0 BEAERN C[C@@H](CCC(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000061820582 175659031 /nfs/dbraw/zinc/65/90/31/175659031.db2.gz ZMZRGZKIJMHPMH-JTQLQIEISA-N 0 0 213.321 2.362 10 0 BEAERN C[C@@H](CO)N(C)C(=O)c1csc2ccccc12 ZINC000126010193 175747657 /nfs/dbraw/zinc/74/76/57/175747657.db2.gz AMJVMGZZBBZWNT-VIFPVBQESA-N 0 0 249.335 2.354 10 0 BEAERN C[C@@H](CO)Oc1ccccc1Br ZINC000041256849 175758610 /nfs/dbraw/zinc/75/86/10/175758610.db2.gz AYHLGKNMAGLFRQ-ZETCQYMHSA-N 0 0 231.089 2.209 10 0 BEAERN C[C@@H](Cc1ccco1)NC(=O)c1ccccc1N ZINC000038093251 175775108 /nfs/dbraw/zinc/77/51/08/175775108.db2.gz WXKPXORUSCWKKU-JTQLQIEISA-N 0 0 244.294 2.223 10 0 BEAERN C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1N ZINC000037178047 175827930 /nfs/dbraw/zinc/82/79/30/175827930.db2.gz JYEAFYKXKKVVGI-SSDOTTSWSA-N 0 0 246.232 2.398 10 0 BEAERN C[C@@H](NC(=O)c1cc(N)ccn1)c1ccsc1 ZINC000061373947 175848002 /nfs/dbraw/zinc/84/80/02/175848002.db2.gz OOPSVEXOILJMOT-MRVPVSSYSA-N 0 0 247.323 2.216 10 0 BEAERN C[C@@H](NC(=O)c1cc(N)c[nH]1)c1ccc(F)cc1 ZINC000049503661 175848388 /nfs/dbraw/zinc/84/83/88/175848388.db2.gz QUBATPXRZXQMME-MRVPVSSYSA-N 0 0 247.273 2.227 10 0 BEAERN C[C@@H](Nc1cc(F)ccc1N)[C@H]1CCCO1 ZINC000052120305 175929494 /nfs/dbraw/zinc/92/94/94/175929494.db2.gz DETKYICJWBRWHY-PRHODGIISA-N 0 0 224.279 2.387 10 0 BEAERN C[C@@H](O)CNc1ccc(C(F)(F)F)cc1 ZINC000032013386 175983939 /nfs/dbraw/zinc/98/39/39/175983939.db2.gz KYRXXPUKKRFLNU-SSDOTTSWSA-N 0 0 219.206 2.498 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ncccc1Br ZINC000306518126 175991969 /nfs/dbraw/zinc/99/19/69/175991969.db2.gz BOOISHWYHRTRDK-RNFRBKRXSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@@H](O)c1ccccc1OCCn1ccnc1 ZINC000035626938 176000052 /nfs/dbraw/zinc/00/00/52/176000052.db2.gz PYVBCUOOWBICLZ-LLVKDONJSA-N 0 0 232.283 2.015 10 0 BEAERN C[C@@H](O)c1nc(-c2ccccn2)cs1 ZINC000071026488 176000312 /nfs/dbraw/zinc/00/03/12/176000312.db2.gz DNYMYZNZMYOQJN-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@@H](OC[C@H]1CCOC1)c1cccc(N)c1 ZINC000049688917 176003382 /nfs/dbraw/zinc/00/33/82/176003382.db2.gz DFDSOWMNDPUKSP-MNOVXSKESA-N 0 0 221.300 2.383 10 0 BEAERN C[C@@H](SC[C@@H](O)CO)c1cccc(Cl)c1 ZINC000177416351 176008472 /nfs/dbraw/zinc/00/84/72/176008472.db2.gz DAXKTPPYVSETCG-KCJUWKMLSA-N 0 0 246.759 2.487 10 0 BEAERN C[C@@H](SC[C@H](O)CO)c1cccc(Cl)c1 ZINC000177416320 176008727 /nfs/dbraw/zinc/00/87/27/176008727.db2.gz DAXKTPPYVSETCG-LDYMZIIASA-N 0 0 246.759 2.487 10 0 BEAERN C[C@@H]([C@H]1CCCO1)n1c(N)nc2c1cccc2F ZINC000037421506 176011791 /nfs/dbraw/zinc/01/17/91/176011791.db2.gz VMOQBASQKFOOPV-GZMMTYOYSA-N 0 0 249.289 2.498 10 0 BEAERN C[C@@H](c1ccccc1)n1cncc1C=O ZINC000040938591 176024288 /nfs/dbraw/zinc/02/42/88/176024288.db2.gz BNAZZNLNIDVAHW-JTQLQIEISA-N 0 0 200.241 2.305 10 0 BEAERN C[C@@H](c1ccccc1N)N1CCCOC1=O ZINC000041054547 176025267 /nfs/dbraw/zinc/02/52/67/176025267.db2.gz WVPNOBOYUOOEMI-VIFPVBQESA-N 0 0 220.272 2.172 10 0 BEAERN C[C@H](c1ccnn1C)c1nc([C@H]2CC2(C)C)no1 ZINC000333768604 176039290 /nfs/dbraw/zinc/03/92/90/176039290.db2.gz DXNIXRJBCKIZSB-RKDXNWHRSA-N 0 0 246.314 2.468 10 0 BEAERN C[C@@H]1CC(=O)c2cc3c(cc21)OCCO3 ZINC000041212499 176050800 /nfs/dbraw/zinc/05/08/00/176050800.db2.gz NGUPPLIOUKROOI-SSDOTTSWSA-N 0 0 204.225 2.148 10 0 BEAERN C[C@@H]1CC(Nc2ccccc2)=CC(=O)O1 ZINC000008677703 176055443 /nfs/dbraw/zinc/05/54/43/176055443.db2.gz ZQAVEBPHFYSNMP-SECBINFHSA-N 0 0 203.241 2.318 10 0 BEAERN C[C@@H]1CCC(O)=C(C(=O)C(F)(F)F)C1 ZINC000100137916 176061587 /nfs/dbraw/zinc/06/15/87/176061587.db2.gz LRZQEIYNXWNUGL-PHDIDXHHSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H]1CCCCN1Cc1cc(Cl)nc(N)n1 ZINC000146838758 176074449 /nfs/dbraw/zinc/07/44/49/176074449.db2.gz ZFVIZYSBTVJVBX-MRVPVSSYSA-N 0 0 240.738 2.087 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[N@H+](C)C/C=C/C(=O)[O-] ZINC000051859863 176078117 /nfs/dbraw/zinc/07/81/17/176078117.db2.gz BQXTUMXWZPYRAK-GGMAAXRASA-N 0 0 211.305 2.138 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000123455104 176080155 /nfs/dbraw/zinc/08/01/55/176080155.db2.gz ONOASHVESGJOOK-WISYIIOYSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@@H]1CCCC[C@H]1OC(=O)c1cncc(N)c1 ZINC000062947458 176089351 /nfs/dbraw/zinc/08/93/51/176089351.db2.gz QJNVVZWVDNYAPK-BXKDBHETSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182890 176101726 /nfs/dbraw/zinc/10/17/26/176101726.db2.gz RSDUOPSSOFBCBW-SNVBAGLBSA-N 0 0 234.299 2.012 10 0 BEAERN C[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc2N1 ZINC000037912225 176105935 /nfs/dbraw/zinc/10/59/35/176105935.db2.gz DTJAQLVNJXOHAM-RISCZKNCSA-N 0 0 244.338 2.424 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cc(N)ccc1F ZINC000037909647 176106256 /nfs/dbraw/zinc/10/62/56/176106256.db2.gz FMOHVOHRKZRLHN-MRVPVSSYSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc2N1 ZINC000037912227 176106511 /nfs/dbraw/zinc/10/65/11/176106511.db2.gz DTJAQLVNJXOHAM-BXUZGUMPSA-N 0 0 244.338 2.424 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cc2cccc(N)c2[nH]1 ZINC000062833772 176107695 /nfs/dbraw/zinc/10/76/95/176107695.db2.gz SWRORCCWLUTGIS-SECBINFHSA-N 0 0 243.310 2.375 10 0 BEAERN C[C@@H]1CCCN1c1cc2c(cc1N)CCC(=O)N2 ZINC000037910145 176111217 /nfs/dbraw/zinc/11/12/17/176111217.db2.gz IRZCULSNMDPXJP-SECBINFHSA-N 0 0 245.326 2.142 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000336400898 176112423 /nfs/dbraw/zinc/11/24/23/176112423.db2.gz WFBOCDXVJQAXMO-VXGBXAGGSA-N 0 0 247.342 2.052 10 0 BEAERN C[C@@H]1CCCC(C(=O)C(F)(F)F)=C1O ZINC000100137911 176112987 /nfs/dbraw/zinc/11/29/87/176112987.db2.gz WDJMNYHBUNCQKM-PHDIDXHHSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H]1CCC[C@@H](N(C)Cc2nnsc2N)C1 ZINC000050815457 176121369 /nfs/dbraw/zinc/12/13/69/176121369.db2.gz BOAUKDHGUFTXDG-RKDXNWHRSA-N 0 0 240.376 2.131 10 0 BEAERN C[C@@H]1CCC[C@@H](Nc2ncccc2C(N)=O)C1 ZINC000025571724 176125467 /nfs/dbraw/zinc/12/54/67/176125467.db2.gz GIWIOLFDQCHVSR-NXEZZACHSA-N 0 0 233.315 2.171 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC1CCC(CO)CC1 ZINC000345187488 176126316 /nfs/dbraw/zinc/12/63/16/176126316.db2.gz LXVNPTHQEZLQID-XVSSEFHLSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)CC(C)(C)C ZINC000300240611 176127226 /nfs/dbraw/zinc/12/72/26/176127226.db2.gz SDNMVTBZTMMTOF-UTUOFQBUSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134289293 176130503 /nfs/dbraw/zinc/13/05/03/176130503.db2.gz XGEHTEGCPXEUJA-FOGDFJRCSA-N 0 0 247.342 2.134 10 0 BEAERN C[C@@H]1CCC[C@@H]1Nc1nccnc1N(C)C ZINC000302179675 176133056 /nfs/dbraw/zinc/13/30/56/176133056.db2.gz DNASUYNLRDIIRE-ZJUUUORDSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)c2csc(N)n2)C1 ZINC000055185401 176143336 /nfs/dbraw/zinc/14/33/36/176143336.db2.gz SQRQCVXPMIRMDD-SFYZADRCSA-N 0 0 239.344 2.034 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1CCCO ZINC000300240380 176146971 /nfs/dbraw/zinc/14/69/71/176146971.db2.gz LFTMHGGZKZQUIB-FRRDWIJNSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@H]1c1nc(Cc2cncn2C)no1 ZINC000329598279 176151372 /nfs/dbraw/zinc/15/13/72/176151372.db2.gz JHUZQHVNMXAFMH-MWLCHTKSSA-N 0 0 246.314 2.298 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)c2ccccc2)O1 ZINC000121710267 176194686 /nfs/dbraw/zinc/19/46/86/176194686.db2.gz LZIAFDGVNHBCOI-PWSUYJOCSA-N 0 0 219.284 2.217 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCC2(C3CC3)CCC2)O1 ZINC000119866258 176195548 /nfs/dbraw/zinc/19/55/48/176195548.db2.gz LTWMPQZHNKFKJM-PWSUYJOCSA-N 0 0 237.343 2.250 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(C(=O)NCCCF)C1 ZINC000123699355 176197398 /nfs/dbraw/zinc/19/73/98/176197398.db2.gz BFWDARGRMZKFQC-NXEZZACHSA-N 0 0 216.300 2.176 10 0 BEAERN C[C@@H]1CC[C@]2(O)C(=O)CC[C@@H]3[C@H]([C@@H]12)C3(C)C ZINC000261491096 176238067 /nfs/dbraw/zinc/23/80/67/176238067.db2.gz BEQYXBYLUJTQJC-ORMWDYAWSA-N 0 0 222.328 2.399 10 0 BEAERN C[C@@H]1CCc2c(sc(N)c2C(=O)N(C)C)C1 ZINC000104277293 176239344 /nfs/dbraw/zinc/23/93/44/176239344.db2.gz CXMSLKSJBBAQNV-SSDOTTSWSA-N 0 0 238.356 2.157 10 0 BEAERN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CC1=O ZINC000068592638 176305452 /nfs/dbraw/zinc/30/54/52/176305452.db2.gz GALZSXMMVXOBQW-VXGBXAGGSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1C[C@@H](C)C[NH+](Cc2cccnc2C(=O)[O-])C1 ZINC000062749676 176361946 /nfs/dbraw/zinc/36/19/46/176361946.db2.gz QYKNQEGXDFHZDW-GHMZBOCLSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccc(F)c(N)c1 ZINC000104421978 176391551 /nfs/dbraw/zinc/39/15/51/176391551.db2.gz UTRAMSJBELBWQS-PSASIEDQSA-N 0 0 236.290 2.136 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000075527794 176398290 /nfs/dbraw/zinc/39/82/90/176398290.db2.gz AZPVAXUFPQWKTC-XEEGDWHKSA-N 0 0 201.269 2.224 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C(F)(F)c1ccccc1 ZINC000075513121 176399697 /nfs/dbraw/zinc/39/96/97/176399697.db2.gz XTPKCZZSJNWSOZ-SCZZXKLOSA-N 0 0 225.238 2.303 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1cc(F)c(F)cc1F ZINC000120238021 176399919 /nfs/dbraw/zinc/39/99/19/176399919.db2.gz CXGBDCVBVDMWHQ-KBUNVGBDSA-N 0 0 243.228 2.171 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CSc1ccccc1 ZINC000075530322 176399938 /nfs/dbraw/zinc/39/99/38/176399938.db2.gz QGGCVEZVSCEIMG-KOLCDFICSA-N 0 0 221.325 2.303 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1ccc(F)cc1F ZINC000123377258 176399943 /nfs/dbraw/zinc/39/99/43/176399943.db2.gz BKZIGRIZPMLNGT-PELKAZGASA-N 0 0 239.265 2.422 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCOc1ccccc1F ZINC000075521903 176399980 /nfs/dbraw/zinc/39/99/80/176399980.db2.gz FWRLJFQIJXHLTG-KOLCDFICSA-N 0 0 237.274 2.119 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCc2ccccc2C1 ZINC000170809318 176401077 /nfs/dbraw/zinc/40/10/77/176401077.db2.gz UGUJGAVTGAQLJE-MFKMUULPSA-N 0 0 230.311 2.163 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000116748144 176403534 /nfs/dbraw/zinc/40/35/34/176403534.db2.gz OXHNUJDHFDEOAU-MFKMUULPSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000052299175 176445033 /nfs/dbraw/zinc/44/50/33/176445033.db2.gz VWRXEPWIGFIUDV-LDYMZIIASA-N 0 0 214.268 2.306 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1)CCCN2 ZINC000052289765 176445172 /nfs/dbraw/zinc/44/51/72/176445172.db2.gz VBATYTCYUPLMDR-NOZJJQNGSA-N 0 0 230.311 2.183 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCc1cncs1 ZINC000192280224 176464761 /nfs/dbraw/zinc/46/47/61/176464761.db2.gz UUOYIPYAQZXGLV-WPRPVWTQSA-N 0 0 241.312 2.001 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NC(C)(C)C ZINC000117562317 176505845 /nfs/dbraw/zinc/50/58/45/176505845.db2.gz QSTCJWJKUGCYCU-BXKDBHETSA-N 0 0 233.311 2.466 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)C1CC1 ZINC000117631683 176506295 /nfs/dbraw/zinc/50/62/95/176506295.db2.gz DZELJLMHAPPMJE-NOZJJQNGSA-N 0 0 231.295 2.172 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCC1CC1 ZINC000117750209 176506467 /nfs/dbraw/zinc/50/64/67/176506467.db2.gz YSTXENNBJAQDDC-RNCFNFMXSA-N 0 0 231.295 2.077 10 0 BEAERN C[C@@]1(Nc2ncc(Cl)cn2)CCCOC1 ZINC000336766860 176540073 /nfs/dbraw/zinc/54/00/73/176540073.db2.gz SMEQLFBPWNAVAW-SNVBAGLBSA-N 0 0 227.695 2.111 10 0 BEAERN C[C@H](CC1CC1)NC(=O)c1cnn2c1CCCC2 ZINC000126834084 176612822 /nfs/dbraw/zinc/61/28/22/176612822.db2.gz WKXQPOGCSAJVRI-SNVBAGLBSA-N 0 0 247.342 2.138 10 0 BEAERN C[C@@H](Nc1ccncc1Cl)[C@H](C)CO ZINC000129611954 176710971 /nfs/dbraw/zinc/71/09/71/176710971.db2.gz HHCDLYCCAYLMRC-HTQZYQBOSA-N 0 0 214.696 2.164 10 0 BEAERN C[C@H](NCC(F)(F)F)c1ccncc1 ZINC000019438517 176834957 /nfs/dbraw/zinc/83/49/57/176834957.db2.gz NSARPFRSAKRKLM-ZETCQYMHSA-N 0 0 204.195 2.295 10 0 BEAERN C[C@H](Nc1ccccc1Cl)C(=O)N(C)C ZINC000058181471 176936521 /nfs/dbraw/zinc/93/65/21/176936521.db2.gz NFCODTOLNBMVJE-QMMMGPOBSA-N 0 0 226.707 2.229 10 0 BEAERN C[C@@H](Nc1cncc(Br)c1)[C@H](C)O ZINC000301009836 177004526 /nfs/dbraw/zinc/00/45/26/177004526.db2.gz XKGQXCOBNNUCLJ-RQJHMYQMSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@@H](Oc1cc(F)cc(F)c1)[C@H](C)O ZINC000054933765 177005865 /nfs/dbraw/zinc/00/58/65/177005865.db2.gz NHLWCUKOVNVLMZ-NKWVEPMBSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@H](O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000087138818 177012500 /nfs/dbraw/zinc/01/25/00/177012500.db2.gz VYEICRXXVGEASE-YUMQZZPRSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccc(Br)cn1 ZINC000307726740 177012544 /nfs/dbraw/zinc/01/25/44/177012544.db2.gz CMVCKNRHWAZAFR-BQBZGAKWSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)c1nc(-c2ccccn2)cs1 ZINC000071026486 177018073 /nfs/dbraw/zinc/01/80/73/177018073.db2.gz DNYMYZNZMYOQJN-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@H](O)c1ccccc1NCc1cnn(C)c1 ZINC000049542602 177018114 /nfs/dbraw/zinc/01/81/14/177018114.db2.gz LIUUSCHTDKKZJM-JTQLQIEISA-N 0 0 231.299 2.086 10 0 BEAERN C[C@H](Oc1ncc(N)cn1)c1ccccc1 ZINC000040456044 177025474 /nfs/dbraw/zinc/02/54/74/177025474.db2.gz MOXHUCFICICWHI-VIFPVBQESA-N 0 0 215.256 2.199 10 0 BEAERN C[C@H](SCCCO)C(=O)c1ccccc1 ZINC000058258198 177027160 /nfs/dbraw/zinc/02/71/60/177027160.db2.gz XNXRDXPIDSDLKL-JTQLQIEISA-N 0 0 224.325 2.373 10 0 BEAERN C[C@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006625833 177043470 /nfs/dbraw/zinc/04/34/70/177043470.db2.gz OJFWZXBZSPXWIM-ZYHUDNBSSA-N 0 0 234.299 2.082 10 0 BEAERN C[C@H]1C(=O)NCc2c(Br)cccc21 ZINC000117312525 177060724 /nfs/dbraw/zinc/06/07/24/177060724.db2.gz RRIIVFDKRXNTJX-ZCFIWIBFSA-N 0 0 240.100 2.182 10 0 BEAERN C[C@H](c1nccs1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000043220362 177054011 /nfs/dbraw/zinc/05/40/11/177054011.db2.gz HKNIFYJZYCKWNY-MRVPVSSYSA-N 0 0 240.328 2.001 10 0 BEAERN C[C@@H]1C(=O)C[C@H](C)CN1Cc1ccccc1 ZINC000068592983 177063086 /nfs/dbraw/zinc/06/30/86/177063086.db2.gz FABAJOBMSRCVJN-NWDGAFQWSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CC(C)(C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000037183496 177063607 /nfs/dbraw/zinc/06/36/07/177063607.db2.gz TXAIXBCNNUNUAV-ZANVPECISA-N 0 0 225.332 2.408 10 0 BEAERN C[C@@H]1CC(Nc2cccnc2)C[C@H](C)O1 ZINC000096033703 177066053 /nfs/dbraw/zinc/06/60/53/177066053.db2.gz DVCULDZBWDXVCB-DHHPTOIESA-N 0 0 206.289 2.450 10 0 BEAERN C[C@H]1CC(Nc2cccnc2)C[C@H](C)O1 ZINC000096033704 177066503 /nfs/dbraw/zinc/06/65/03/177066503.db2.gz DVCULDZBWDXVCB-UWVGGRQHSA-N 0 0 206.289 2.450 10 0 BEAERN C[C@H]1CC(Nc2cccc(O)c2)=CC(=O)O1 ZINC000008671564 177066549 /nfs/dbraw/zinc/06/65/49/177066549.db2.gz UAGORTCGMFAAHB-QMMMGPOBSA-N 0 0 219.240 2.023 10 0 BEAERN C[C@H]1CCCC[C@H]1[N@H+](C)C(C)(C)C(=O)[O-] ZINC000042613703 177086829 /nfs/dbraw/zinc/08/68/29/177086829.db2.gz VPBVSRLICHJPHS-VHSXEESVSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CCCN(C(=O)c2ccc(N)c(F)c2)C1 ZINC000054405120 177095290 /nfs/dbraw/zinc/09/52/90/177095290.db2.gz JBMMGLFSGRLGCR-VIFPVBQESA-N 0 0 236.290 2.280 10 0 BEAERN C[C@H]1CCCN1C(=O)Nc1cccc(N)c1 ZINC000037912314 177107600 /nfs/dbraw/zinc/10/76/00/177107600.db2.gz CJOSZVDIARDNKL-VIFPVBQESA-N 0 0 219.288 2.285 10 0 BEAERN C[C@H]1CCCN1CC(=O)Cc1ccccc1F ZINC000037911713 177109741 /nfs/dbraw/zinc/10/97/41/177109741.db2.gz ZEQNLYFUGMYBHA-NSHDSACASA-N 0 0 235.302 2.422 10 0 BEAERN C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+]1CCC[C@@H]1C ZINC000037909702 177111778 /nfs/dbraw/zinc/11/17/78/177111778.db2.gz ZBLIJFVNVUDZHP-QWRGUYRKSA-N 0 0 247.342 2.080 10 0 BEAERN C[C@H]1CCC[C@@H]1Nc1ccc(C(N)=O)cc1 ZINC000083389659 177126728 /nfs/dbraw/zinc/12/67/28/177126728.db2.gz PLRGWIXWKZOFHU-CABZTGNLSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@H]1CCC[C@H](C)N1C(=O)c1csc(N)n1 ZINC000055185149 177131631 /nfs/dbraw/zinc/13/16/31/177131631.db2.gz MBNUIPDYEUSSBG-YUMQZZPRSA-N 0 0 239.344 2.128 10 0 BEAERN C[C@H]1CCC[C@H](OC(=O)c2cncc(N)c2)C1 ZINC000062947493 177137825 /nfs/dbraw/zinc/13/78/25/177137825.db2.gz CCJFJRDOJLAVDP-CABZTGNLSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@H]1CC[C@@H]2CCCC[C@@H]2S1(=O)=O ZINC000003163034 177195847 /nfs/dbraw/zinc/19/58/47/177195847.db2.gz MCCCFDOVWMFQSV-GUBZILKMSA-N 0 0 202.319 2.142 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(F)c2)O1 ZINC000121767857 177197144 /nfs/dbraw/zinc/19/71/44/177197144.db2.gz PBLQSJNLYHSSNI-GZMMTYOYSA-N 0 0 223.247 2.332 10 0 BEAERN C[C@H]1CN(C(=O)Cc2ccsc2)CCS1 ZINC000171580078 177219234 /nfs/dbraw/zinc/21/92/34/177219234.db2.gz VEMANHTYURLUAI-VIFPVBQESA-N 0 0 241.381 2.255 10 0 BEAERN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CC1=O ZINC000039170333 177221877 /nfs/dbraw/zinc/22/18/77/177221877.db2.gz AFMMHVFSLJYZKE-IUCAKERBSA-N 0 0 227.304 2.221 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C)C1 ZINC000041315216 177224173 /nfs/dbraw/zinc/22/41/73/177224173.db2.gz RZGJASYNSJILKF-OLZOCXBDSA-N 0 0 247.338 2.113 10 0 BEAERN C[C@H]1CN(C(=O)c2c[nH]c3ccccc32)CCO1 ZINC000035149522 177225189 /nfs/dbraw/zinc/22/51/89/177225189.db2.gz YLOMDICAWCXCGS-JTQLQIEISA-N 0 0 244.294 2.029 10 0 BEAERN C[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)CCS1 ZINC000336400231 177225724 /nfs/dbraw/zinc/22/57/24/177225724.db2.gz MAIGDYCDBLDSFY-GWCFXTLKSA-N 0 0 247.363 2.290 10 0 BEAERN C[C@H]1CN(Cc2nccs2)CCS1 ZINC000135043737 177271605 /nfs/dbraw/zinc/27/16/05/177271605.db2.gz JAMHBDKRNORSQI-QMMMGPOBSA-N 0 0 214.359 2.080 10 0 BEAERN C[C@H](c1ccccn1)N1CCC(=O)[C@@H](C)C1 ZINC000219738172 177276810 /nfs/dbraw/zinc/27/68/10/177276810.db2.gz QHULROLQMGRQAQ-WDEREUQCSA-N 0 0 218.300 2.054 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(F)cc1 ZINC000040634506 177297827 /nfs/dbraw/zinc/29/78/27/177297827.db2.gz VAXODPMSSDSMSJ-AOOOYVTPSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C(=O)c2sccc2N)C1 ZINC000040294775 177312323 /nfs/dbraw/zinc/31/23/23/177312323.db2.gz WWQABCORTVNMBP-DTORHVGOSA-N 0 0 238.356 2.448 10 0 BEAERN C[C@H]1C[C@@H](N2CCCC2=O)c2c(N)cccc2N1 ZINC000005798628 177327973 /nfs/dbraw/zinc/32/79/73/177327973.db2.gz TZWOYVQTRTVIIE-JOYOIKCWSA-N 0 0 245.326 2.136 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1cccc(N(C)C)c1 ZINC000188885708 177346210 /nfs/dbraw/zinc/34/62/10/177346210.db2.gz CUAMGLJZMLZDQS-FZMZJTMJSA-N 0 0 246.354 2.210 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCC(=O)c1ccccc1 ZINC000075526912 177346516 /nfs/dbraw/zinc/34/65/16/177346516.db2.gz GTBXHOQZMZDMJI-JQWIXIFHSA-N 0 0 231.295 2.174 10 0 BEAERN C[C@H]1C[C@@H]1N=c1[nH]c2c(cccc2F)o1 ZINC000336754568 177346632 /nfs/dbraw/zinc/34/66/32/177346632.db2.gz IHUFQLUVLFYSOC-XPUUQOCRSA-N 0 0 206.220 2.209 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000084059581 177349140 /nfs/dbraw/zinc/34/91/40/177349140.db2.gz SNEZDGWJXSSKFS-KWQFWETISA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000075506956 177349404 /nfs/dbraw/zinc/34/94/04/177349404.db2.gz QCSRBPQYPSOEFS-ZANVPECISA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccc(C(N)=S)cc1 ZINC000052292534 177350627 /nfs/dbraw/zinc/35/06/27/177350627.db2.gz UHBLRYZCOCSAJO-XVKPBYJWSA-N 0 0 206.314 2.141 10 0 BEAERN C[C@H]1C[C@@H]1Nc1c(F)c(F)nc(F)c1F ZINC000087115131 177350667 /nfs/dbraw/zinc/35/06/67/177350667.db2.gz SWJLCXMMUWVVAX-IMJSIDKUSA-N 0 0 220.169 2.458 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nnc(-c2ccccn2)s1 ZINC000273571351 177350771 /nfs/dbraw/zinc/35/07/71/177350771.db2.gz DFWOMLQVSFBSJL-CBAPKCEASA-N 0 0 232.312 2.420 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nc(N)c2ccccc2n1 ZINC000301898842 177350812 /nfs/dbraw/zinc/35/08/12/177350812.db2.gz XGNWGIORJIWEPS-XVKPBYJWSA-N 0 0 214.272 2.032 10 0 BEAERN C[C@H]1C[C@@H]1n1nnnc1-c1ccc(N)cc1Cl ZINC000052298546 177352955 /nfs/dbraw/zinc/35/29/55/177352955.db2.gz DTCGBYJYPYVZTN-WKEGUHRASA-N 0 0 249.705 2.157 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ccc(N)nc2)C1 ZINC000019868445 177358679 /nfs/dbraw/zinc/35/86/79/177358679.db2.gz YWMHHFOVKRWKJD-UWVGGRQHSA-N 0 0 205.305 2.146 10 0 BEAERN C[C@@H]1C[C@@H](CNc2ncccn2)C[C@H](C)O1 ZINC000281891670 177363304 /nfs/dbraw/zinc/36/33/04/177363304.db2.gz OYQRPVCFLMHZSJ-JGPRNRPPSA-N 0 0 221.304 2.092 10 0 BEAERN C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CC(=O)[O-] ZINC000309312528 177375399 /nfs/dbraw/zinc/37/53/99/177375399.db2.gz CHRHGGSUWUDPGF-IUCAKERBSA-N 0 0 225.313 2.011 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1cc(N)ccc1F ZINC000021953783 177377027 /nfs/dbraw/zinc/37/70/27/177377027.db2.gz UHSGEUAHGUHNNT-POYBYMJQSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@H]1C[C@H]1CN(C)C(=O)c1cc(F)ccc1N ZINC000104419062 177378795 /nfs/dbraw/zinc/37/87/95/177378795.db2.gz DZMOXEKEGNJMNK-IUCAKERBSA-N 0 0 236.290 2.136 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1cccc2c1CCO2 ZINC000333117315 177384187 /nfs/dbraw/zinc/38/41/87/177384187.db2.gz GQDFCUYBNQDYGI-GZMMTYOYSA-N 0 0 232.283 2.151 10 0 BEAERN C[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)Oc1ccccc1 ZINC000073057038 177384285 /nfs/dbraw/zinc/38/42/85/177384285.db2.gz TUZAXJMWSAMYKK-DMDPSCGWSA-N 0 0 248.326 2.162 10 0 BEAERN C[C@H]1Cc2ccccc2N1CC(C)(C)CO ZINC000049817524 177390305 /nfs/dbraw/zinc/39/03/05/177390305.db2.gz CRGMLNPLMOBIQO-NSHDSACASA-N 0 0 219.328 2.456 10 0 BEAERN C[C@]1(c2nc(-c3ncon3)no2)CC=CCC1 ZINC000333788614 177481957 /nfs/dbraw/zinc/48/19/57/177481957.db2.gz CWAUOSRRCDMZMT-NSHDSACASA-N 0 0 232.243 2.117 10 0 BEAERN Cc1c(C(=O)N[C@H]2C[C@@H]2C)cnn1C(C)(C)C ZINC000171051200 177570090 /nfs/dbraw/zinc/57/00/90/177570090.db2.gz JBFBCEKEYVFFIV-KWQFWETISA-N 0 0 235.331 2.085 10 0 BEAERN Cc1c(Cl)cccc1C(=O)N(C)[C@@H](C)CO ZINC000219826375 177600150 /nfs/dbraw/zinc/60/01/50/177600150.db2.gz KWHDZOTWYHLBBT-QMMMGPOBSA-N 0 0 241.718 2.101 10 0 BEAERN Cc1c(Cl)cccc1NC[C@H](C)C(N)=O ZINC000037227170 177601581 /nfs/dbraw/zinc/60/15/81/177601581.db2.gz GEWOUGXDPSZHET-ZETCQYMHSA-N 0 0 226.707 2.182 10 0 BEAERN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](O)C1)c1ccccc1 ZINC000401643258 226360688 /nfs/dbraw/zinc/36/06/88/226360688.db2.gz GMJOXTAAFYFJGC-YRGRVCCFSA-N 0 0 247.338 2.019 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)NCCc1ccsc1 ZINC000046243379 487668538 /nfs/dbraw/zinc/66/85/38/487668538.db2.gz KVPXOWCVTHPPHF-PSASIEDQSA-N 0 0 209.314 2.063 10 0 BEAERN COC[C@@H](C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000174593344 229387380 /nfs/dbraw/zinc/38/73/80/229387380.db2.gz OPHZRWJGTNUBDT-VXGBXAGGSA-N 0 0 227.348 2.164 10 0 BEAERN CCCNS(=O)(=O)c1cc(C)sc1C ZINC000037022184 262978273 /nfs/dbraw/zinc/97/82/73/262978273.db2.gz KEBZJAJWUXAHAB-UHFFFAOYSA-N 0 0 233.358 2.053 10 0 BEAERN C[C@@H](CO)CN1C[C@H](C)Cc2ccccc21 ZINC000120849911 490069900 /nfs/dbraw/zinc/06/99/00/490069900.db2.gz MSRVFCWPRSTMKU-VXGBXAGGSA-N 0 0 219.328 2.314 10 0 BEAERN C[C@@H](CO)CN1C[C@@H](C)Cc2ccccc21 ZINC000120850083 490069557 /nfs/dbraw/zinc/06/95/57/490069557.db2.gz MSRVFCWPRSTMKU-NWDGAFQWSA-N 0 0 219.328 2.314 10 0 BEAERN O=C(NCCC1=CCCC1)Nc1cccnn1 ZINC000120910258 490071416 /nfs/dbraw/zinc/07/14/16/490071416.db2.gz XTMMYUYLCMBFNH-UHFFFAOYSA-N 0 0 232.287 2.099 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C)c(N)c1 ZINC000226379411 487726306 /nfs/dbraw/zinc/72/63/06/487726306.db2.gz SXLICGQHQFKICK-GWCFXTLKSA-N 0 0 232.327 2.496 10 0 BEAERN O=C(NCc1ccsc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250154468 487727334 /nfs/dbraw/zinc/72/73/34/487727334.db2.gz CEXKKGWNOFZMOH-JGPRNRPPSA-N 0 0 221.325 2.410 10 0 BEAERN CCCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000250119097 487727459 /nfs/dbraw/zinc/72/74/59/487727459.db2.gz VBGXVYXDDLDWIZ-JGPRNRPPSA-N 0 0 207.317 2.434 10 0 BEAERN CC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC000251165469 487749168 /nfs/dbraw/zinc/74/91/68/487749168.db2.gz NTFLAKWQNWXORI-JGPRNRPPSA-N 0 0 207.317 2.481 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000681241740 487757954 /nfs/dbraw/zinc/75/79/54/487757954.db2.gz POYCBMHQZDFBDW-QJPTWQEYSA-N 0 0 239.359 2.232 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000307233941 487776777 /nfs/dbraw/zinc/77/67/77/487776777.db2.gz QVRMSSGVDFVWTB-MXWKQRLJSA-N 0 0 213.321 2.074 10 0 BEAERN CC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251875094 487804813 /nfs/dbraw/zinc/80/48/13/487804813.db2.gz USYXFSHKYRZQKF-USZNOCQGSA-N 0 0 207.317 2.434 10 0 BEAERN O=C(NCCCC1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253060160 487846022 /nfs/dbraw/zinc/84/60/22/487846022.db2.gz CWWOFYUYLSUTIR-ZSBIGDGJSA-N 0 0 207.317 2.339 10 0 BEAERN CC(C)[C@H](C)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304150460 487873281 /nfs/dbraw/zinc/87/32/81/487873281.db2.gz CMZBVQQBERTRRR-JTQLQIEISA-N 0 0 236.315 2.256 10 0 BEAERN CC[N@@H+](Cc1ncccc1C(=O)[O-])CC1CC1 ZINC000304147412 487873686 /nfs/dbraw/zinc/87/36/86/487873686.db2.gz AYAPJNSHZLTACF-UHFFFAOYSA-N 0 0 234.299 2.012 10 0 BEAERN Nc1ncc(-c2ccc3ccccc3n2)o1 ZINC000146683954 487882461 /nfs/dbraw/zinc/88/24/61/487882461.db2.gz DVYRZBIKWQBXIV-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN CCCCOCC(=O)N[C@H](C)C(C)(C)C ZINC000118228143 487934905 /nfs/dbraw/zinc/93/49/05/487934905.db2.gz ZMSJMZMGJQZTJX-SNVBAGLBSA-N 0 0 215.337 2.354 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(CO)cc1 ZINC000227481349 487939861 /nfs/dbraw/zinc/93/98/61/487939861.db2.gz FFOBYKFZMVPOCF-RISCZKNCSA-N 0 0 247.338 2.231 10 0 BEAERN CCc1cc(C)c(C(=O)N(C)CC(F)F)o1 ZINC000122258216 322994613 /nfs/dbraw/zinc/99/46/13/322994613.db2.gz BYYMSLDIGPZJEP-UHFFFAOYSA-N 0 0 231.242 2.488 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)CC2CCCC2)O1 ZINC000151079204 323007789 /nfs/dbraw/zinc/00/77/89/323007789.db2.gz RZXXQTAGGKIFRC-CMPLNLGQSA-N 0 0 225.332 2.203 10 0 BEAERN COc1cc(C)c(C(=O)N[C@H]2C[C@@H]2C)cc1OC ZINC000151220361 323013678 /nfs/dbraw/zinc/01/36/78/323013678.db2.gz WUOUPUUIKMZZEV-ONGXEEELSA-N 0 0 249.310 2.150 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H](C)CSC ZINC000132667322 323016067 /nfs/dbraw/zinc/01/60/67/323016067.db2.gz JZDJTJQJTZDWCJ-SSDOTTSWSA-N 0 0 242.344 2.483 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2nncs2)o1 ZINC000134719336 323025343 /nfs/dbraw/zinc/02/53/43/323025343.db2.gz NSDDENWFPOTPHG-UHFFFAOYSA-N 0 0 237.284 2.254 10 0 BEAERN CSCCCSCc1nnnn1C(C)C ZINC000153371258 323050970 /nfs/dbraw/zinc/05/09/70/323050970.db2.gz CBJVCNQLKMMMPB-UHFFFAOYSA-N 0 0 246.405 2.240 10 0 BEAERN COc1cc(OC)cc([C@@H]2CCC[C@@H]2O)c1 ZINC000087124265 323089244 /nfs/dbraw/zinc/08/92/44/323089244.db2.gz IJCLFNYNISHGJX-STQMWFEESA-N 0 0 222.284 2.332 10 0 BEAERN COc1cc(N)ccc1COCC(C)C ZINC000234796415 323105711 /nfs/dbraw/zinc/10/57/11/323105711.db2.gz YMWCXISJQHEKFD-UHFFFAOYSA-N 0 0 209.289 2.450 10 0 BEAERN Cc1cccc(CNC(=O)NCCC(C)C)n1 ZINC000048856077 323155565 /nfs/dbraw/zinc/15/55/65/323155565.db2.gz UIMNGNSZNXBPRF-UHFFFAOYSA-N 0 0 235.331 2.235 10 0 BEAERN COc1cccc([C@@]2(O)CCS[C@@H]2C)c1 ZINC000211606434 323195238 /nfs/dbraw/zinc/19/52/38/323195238.db2.gz BKAFOOFQRWELNT-BXKDBHETSA-N 0 0 224.325 2.408 10 0 BEAERN [NH3+][C@H](C[C@@H](CC(=O)[O-])C(F)(F)F)C1CCC1 ZINC000521401954 323201089 /nfs/dbraw/zinc/20/10/89/323201089.db2.gz SKLJFECGQHXLOG-JGVFFNPUSA-N 0 0 239.237 2.157 10 0 BEAERN CC(C)[C@@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521402154 323201233 /nfs/dbraw/zinc/20/12/33/323201233.db2.gz ZWVLYJIEVFUSJK-RQJHMYQMSA-N 0 0 227.226 2.013 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H]1C ZINC000041780948 323215185 /nfs/dbraw/zinc/21/51/85/323215185.db2.gz FSOXZONXYSBACD-KKOKHZNYSA-N 0 0 225.332 2.106 10 0 BEAERN CCOCCNC(=O)N[C@H](C)c1cccs1 ZINC000043289394 323272944 /nfs/dbraw/zinc/27/29/44/323272944.db2.gz ZEQGSJRKPVWBKU-SECBINFHSA-N 0 0 242.344 2.145 10 0 BEAERN CCCn1nccc1NC(=O)NCC1CCC1 ZINC000043720119 323298304 /nfs/dbraw/zinc/29/83/04/323298304.db2.gz SHUMEJGGYCEOJQ-UHFFFAOYSA-N 0 0 236.319 2.215 10 0 BEAERN CC[S@@](C)(=O)=Nc1ccc(OC)cc1 ZINC000536950887 323955205 /nfs/dbraw/zinc/95/52/05/323955205.db2.gz LMWJSOHGNJYFBP-CQSZACIVSA-N 0 0 213.302 2.444 10 0 BEAERN OC[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000536952013 323957233 /nfs/dbraw/zinc/95/72/33/323957233.db2.gz ANZAULJOYFYKLZ-SCZZXKLOSA-N 0 0 232.201 2.161 10 0 BEAERN Cn1cccc1[C@@]12CCC(F)(F)C[C@@H]1O2 ZINC000536957182 323968055 /nfs/dbraw/zinc/96/80/55/323968055.db2.gz BQELQFYZKHQCMO-ONGXEEELSA-N 0 0 213.227 2.438 10 0 BEAERN CC[C@@H]1CC[C@]2(c3ccnn3C)O[C@@H]2C1 ZINC000536957295 323968103 /nfs/dbraw/zinc/96/81/03/323968103.db2.gz BVVWRJBIRMNWHF-YUSALJHKSA-N 0 0 206.289 2.224 10 0 BEAERN CCn1ncc2cc(C(F)(F)F)ccc2c1=O ZINC000536958330 323969741 /nfs/dbraw/zinc/96/97/41/323969741.db2.gz JLPWZFVSAVKFSW-UHFFFAOYSA-N 0 0 242.200 2.435 10 0 BEAERN COc1c(N)cccc1COC1CCC1 ZINC000536958663 323970486 /nfs/dbraw/zinc/97/04/86/323970486.db2.gz JUNFUDCNMNHUFA-UHFFFAOYSA-N 0 0 207.273 2.347 10 0 BEAERN CC(C)Nc1nccc2oc(C=O)cc21 ZINC000536959790 323972112 /nfs/dbraw/zinc/97/21/12/323972112.db2.gz QGBPQBZSEDHXHE-UHFFFAOYSA-N 0 0 204.229 2.461 10 0 BEAERN COC(=O)Cn1ccc(C2CCCCC2)cc1=O ZINC000536959804 323972803 /nfs/dbraw/zinc/97/28/03/323972803.db2.gz QJBGAUAMERXQGW-UHFFFAOYSA-N 0 0 249.310 2.069 10 0 BEAERN COCCCC(=O)N1CCc2cc(OC)ccc21 ZINC000058717545 323992230 /nfs/dbraw/zinc/99/22/30/323992230.db2.gz GNWXZTJXIPONIO-UHFFFAOYSA-N 0 0 249.310 2.011 10 0 BEAERN CO[C@@H]1CCC[C@H]2CN(c3ncc(C)cn3)C[C@H]21 ZINC000253600178 324191460 /nfs/dbraw/zinc/19/14/60/324191460.db2.gz HAWYPWZDLSXXTE-YNEHKIRRSA-N 0 0 247.342 2.036 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCCCO2)C1 ZINC000125340463 324638942 /nfs/dbraw/zinc/63/89/42/324638942.db2.gz WUKPKNJOSKASBI-UTUOFQBUSA-N 0 0 225.332 2.203 10 0 BEAERN CN(C(=O)NCC1(C)CCC1)[C@H]1CCSC1 ZINC000125904895 324663852 /nfs/dbraw/zinc/66/38/52/324663852.db2.gz JKHYMJVERMMBQX-JTQLQIEISA-N 0 0 242.388 2.324 10 0 BEAERN CCC[C@H](O)CNC(=O)Cc1cccc(CC)c1 ZINC000126698940 324710436 /nfs/dbraw/zinc/71/04/36/324710436.db2.gz PMMPXOZJUDAQEP-AWEZNQCLSA-N 0 0 249.354 2.069 10 0 BEAERN CCC[C@H](C)CC(=O)N1CCN(C2CC2)CC1 ZINC000127059397 324742269 /nfs/dbraw/zinc/74/22/69/324742269.db2.gz DFCCBWDUTHYSJO-LBPRGKRZSA-N 0 0 238.375 2.119 10 0 BEAERN Cc1ccc(NCc2nc(C)ccc2O)cn1 ZINC000128084793 324805332 /nfs/dbraw/zinc/80/53/32/324805332.db2.gz VUHWADYSDKKYMF-UHFFFAOYSA-N 0 0 229.283 2.411 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000128199175 324811621 /nfs/dbraw/zinc/81/16/21/324811621.db2.gz CEHPXJHCUHNHCD-LBPRGKRZSA-N 0 0 248.326 2.170 10 0 BEAERN COc1cccc(CNC(=O)c2ccccc2)n1 ZINC000128507159 324846937 /nfs/dbraw/zinc/84/69/37/324846937.db2.gz VVBYWFNVBGWHAU-UHFFFAOYSA-N 0 0 242.278 2.020 10 0 BEAERN CCN(CC)C(=O)N1CC[C@@H](C(C)C)C1 ZINC000130361327 325045130 /nfs/dbraw/zinc/04/51/30/325045130.db2.gz PSNOZZUGBYOELV-LLVKDONJSA-N 0 0 212.337 2.426 10 0 BEAERN CC[C@H](C)C(=O)NCc1cccc(C)n1 ZINC000130483260 325057228 /nfs/dbraw/zinc/05/72/28/325057228.db2.gz HCEIHQWDDAHRGW-VIFPVBQESA-N 0 0 206.289 2.052 10 0 BEAERN CCCCOCC(=O)NCCC1=CCCC1 ZINC000131542661 325162564 /nfs/dbraw/zinc/16/25/64/325162564.db2.gz SKVIQMYCPICPNM-UHFFFAOYSA-N 0 0 225.332 2.420 10 0 BEAERN COC[C@H](C)CNc1cc(OC)ccc1OC ZINC000131680524 325177090 /nfs/dbraw/zinc/17/70/90/325177090.db2.gz MNZAMSHQDNZOEQ-SNVBAGLBSA-N 0 0 239.315 2.398 10 0 BEAERN COC[C@@H](C)CNc1ccc(N2CCCC2)nc1 ZINC000131760767 325181964 /nfs/dbraw/zinc/18/19/64/325181964.db2.gz WXWQKJAWTNPBAK-LBPRGKRZSA-N 0 0 249.358 2.376 10 0 BEAERN CCc1noc(C)c1NC(=O)c1cnn(CC)c1 ZINC000132654015 325233065 /nfs/dbraw/zinc/23/30/65/325233065.db2.gz NWSKTHDHVMBXHF-UHFFFAOYSA-N 0 0 248.286 2.014 10 0 BEAERN CCc1oc(C(=O)NCc2ccc[nH]2)cc1C ZINC000132787506 325245983 /nfs/dbraw/zinc/24/59/83/325245983.db2.gz DNMSRRRPLRIVAX-UHFFFAOYSA-N 0 0 232.283 2.409 10 0 BEAERN CCc1noc(C)c1NC(=O)c1ccccn1 ZINC000132896712 325252117 /nfs/dbraw/zinc/25/21/17/325252117.db2.gz BBMBLFOOJODNBO-UHFFFAOYSA-N 0 0 231.255 2.193 10 0 BEAERN CC[C@H](CCO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000133783857 325319349 /nfs/dbraw/zinc/31/93/49/325319349.db2.gz XNKDYCFROUCWNI-MCIONIFRSA-N 0 0 247.338 2.067 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)o1 ZINC000076362490 325341999 /nfs/dbraw/zinc/34/19/99/325341999.db2.gz STIZYRYGPUYXLV-YUMQZZPRSA-N 0 0 243.690 2.182 10 0 BEAERN Cc1cccc(CNC(=O)Cc2cccs2)n1 ZINC000134116599 325344216 /nfs/dbraw/zinc/34/42/16/325344216.db2.gz YIXHXFBTWRHLQE-UHFFFAOYSA-N 0 0 246.335 2.310 10 0 BEAERN C[C@H]1CN(C(=O)OCC(F)(F)F)CCS1 ZINC000134347741 325354567 /nfs/dbraw/zinc/35/45/67/325354567.db2.gz XUSXZIJVVGMLOG-LURJTMIESA-N 0 0 243.250 2.123 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@H](C)C1CCOCC1 ZINC000134612854 325367850 /nfs/dbraw/zinc/36/78/50/325367850.db2.gz VAZURHVFMLEBHZ-WDEREUQCSA-N 0 0 242.363 2.145 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000134612787 325367876 /nfs/dbraw/zinc/36/78/76/325367876.db2.gz VAZURHVFMLEBHZ-MNOVXSKESA-N 0 0 242.363 2.145 10 0 BEAERN CCOCC(=O)N1CCCCC[C@H]1CC ZINC000134720373 325373393 /nfs/dbraw/zinc/37/33/93/325373393.db2.gz GMIYMZYGVBUASY-LLVKDONJSA-N 0 0 213.321 2.204 10 0 BEAERN CCCS(=O)(=O)N1CCCCC[C@H]1CC ZINC000134727076 325373723 /nfs/dbraw/zinc/37/37/23/325373723.db2.gz DICBDURISUZDQN-LLVKDONJSA-N 0 0 233.377 2.381 10 0 BEAERN COc1cccc(F)c1[C@H](C)NCc1ncc[nH]1 ZINC000134773403 325376228 /nfs/dbraw/zinc/37/62/28/325376228.db2.gz XWSNYMSFGAGLCV-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC000245482188 325506323 /nfs/dbraw/zinc/50/63/23/325506323.db2.gz DDHFPLQRLNEOLA-IEECTRCBSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CC[C@H](C)CC2)cc(=O)[nH]1 ZINC000245561515 325514529 /nfs/dbraw/zinc/51/45/29/325514529.db2.gz KQAGZTBZTPZKOO-OTCDBFHCSA-N 0 0 248.326 2.404 10 0 BEAERN C[C@@H]1CCC[C@@H]1CC(=O)N1[C@H](C)COC[C@H]1C ZINC000248984301 325631091 /nfs/dbraw/zinc/63/10/91/325631091.db2.gz JPLNPMMKNPLQNC-FDYHWXHSSA-N 0 0 239.359 2.449 10 0 BEAERN CCn1c(C)nnc1CN1CCc2ccccc21 ZINC000154673810 326157606 /nfs/dbraw/zinc/15/76/06/326157606.db2.gz UGHCQHGERMVXEZ-UHFFFAOYSA-N 0 0 242.326 2.169 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCC1(C2CC2)CCC1 ZINC000155257947 326190261 /nfs/dbraw/zinc/19/02/61/326190261.db2.gz FNXJDPWJVMRISZ-KOLCDFICSA-N 0 0 222.332 2.274 10 0 BEAERN CC(C)N(C(=O)[C@H]1CC[C@@H](C)O1)C1CCC1 ZINC000156065437 326218081 /nfs/dbraw/zinc/21/80/81/326218081.db2.gz YDFAFPWJQLVSLU-ZYHUDNBSSA-N 0 0 225.332 2.343 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)CC1CCOCC1 ZINC000156724552 326240495 /nfs/dbraw/zinc/24/04/95/326240495.db2.gz RNVPCRJEBVJGKX-NSHDSACASA-N 0 0 242.363 2.099 10 0 BEAERN CCCCN(CC)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000220515187 487988570 /nfs/dbraw/zinc/98/85/70/487988570.db2.gz POHHDEICDYCSDL-LLVKDONJSA-N 0 0 249.358 2.163 10 0 BEAERN O=C([O-])C[C@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000090978084 488014531 /nfs/dbraw/zinc/01/45/31/488014531.db2.gz RHTFBPXWVLVNAL-CHWSQXEVSA-N 0 0 245.322 2.265 10 0 BEAERN CO[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000034564556 488055255 /nfs/dbraw/zinc/05/52/55/488055255.db2.gz SAPQRBJCIZEQPH-GFCCVEGCSA-N 0 0 235.283 2.392 10 0 BEAERN C[C@H](CC(=O)NCC1CC(O)C1)CC(C)(C)C ZINC000091538773 488055904 /nfs/dbraw/zinc/05/59/04/488055904.db2.gz DIEBOYGNXMIIDY-VOMCLLRMSA-N 0 0 241.375 2.336 10 0 BEAERN c1ncn2c1c(NC1CC1)nc1ccccc12 ZINC000013441447 488100643 /nfs/dbraw/zinc/10/06/43/488100643.db2.gz JSEDRNQDPWAEJL-UHFFFAOYSA-N 0 0 224.267 2.457 10 0 BEAERN CC[C@@H](NC(=O)C1(OC)CCCC1)C(C)C ZINC000683126427 488116057 /nfs/dbraw/zinc/11/60/57/488116057.db2.gz PPHSMWVJNWVCNH-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN [N-]=[N+]=NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000036467465 488123359 /nfs/dbraw/zinc/12/33/59/488123359.db2.gz NKKAPZCHEJWNPP-SNAWJCMRSA-N 0 0 218.172 2.445 10 0 BEAERN CCC[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000403831465 488139656 /nfs/dbraw/zinc/13/96/56/488139656.db2.gz PRLRXSYCVQBBTD-KXNHARMFSA-N 0 0 225.332 2.266 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000673903804 487473502 /nfs/dbraw/zinc/47/35/02/487473502.db2.gz HAMBMDBPINJBJU-VOAKCMCISA-N 0 0 239.359 2.232 10 0 BEAERN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534416 487488891 /nfs/dbraw/zinc/48/88/91/487488891.db2.gz OFMGTKWSNRBMQX-GHMZBOCLSA-N 0 0 248.326 2.400 10 0 BEAERN Cc1cscc1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000674083142 487513514 /nfs/dbraw/zinc/51/35/14/487513514.db2.gz RIJUAGIVPJLKGU-ZJUUUORDSA-N 0 0 239.340 2.090 10 0 BEAERN CCc1nnc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000300433765 487515762 /nfs/dbraw/zinc/51/57/62/487515762.db2.gz SFNMJGYOBJIKJC-RNLVFQAGSA-N 0 0 237.328 2.085 10 0 BEAERN CC(C)[C@H](C)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000083411774 487907919 /nfs/dbraw/zinc/90/79/19/487907919.db2.gz GZWVXOLDYHFNLQ-JTQLQIEISA-N 0 0 213.321 2.218 10 0 BEAERN Cc1ccncc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667912287 488154656 /nfs/dbraw/zinc/15/46/56/488154656.db2.gz CXVZTHFSKMFAAX-AAEUAGOBSA-N 0 0 218.300 2.369 10 0 BEAERN Cc1ccncc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667912288 488154730 /nfs/dbraw/zinc/15/47/30/488154730.db2.gz CXVZTHFSKMFAAX-DGCLKSJQSA-N 0 0 218.300 2.369 10 0 BEAERN OCc1cccc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000668033248 488191820 /nfs/dbraw/zinc/19/18/20/488191820.db2.gz WUSRAMCTRQXKCP-KBPBESRZSA-N 0 0 233.311 2.158 10 0 BEAERN CC(F)(F)CCC(=O)N1CCC[C@@H]1CCCO ZINC000679110537 488308821 /nfs/dbraw/zinc/30/88/21/488308821.db2.gz LUMONRTYYSBAIN-SNVBAGLBSA-N 0 0 249.301 2.185 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000673903807 488311295 /nfs/dbraw/zinc/31/12/95/488311295.db2.gz HAMBMDBPINJBJU-YVECIDJPSA-N 0 0 239.359 2.232 10 0 BEAERN Fc1ccc(NCc2cncnc2)cc1F ZINC000054766952 488311475 /nfs/dbraw/zinc/31/14/75/488311475.db2.gz QKQVHGPHNZUJPD-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Cc1cnc([C@@H](C)Nc2ncnc3[nH]ccc32)o1 ZINC000679282217 488328957 /nfs/dbraw/zinc/32/89/57/488328957.db2.gz LSJNCFZWYVPMFS-MRVPVSSYSA-N 0 0 243.270 2.427 10 0 BEAERN C[C@@H](CO)CN1c2ccccc2C[C@H]1C ZINC000120581077 490064447 /nfs/dbraw/zinc/06/44/47/490064447.db2.gz JLBIPTQEYRHPHE-GHMZBOCLSA-N 0 0 205.301 2.066 10 0 BEAERN CCc1cc(NC(=O)Cc2cccs2)n[nH]1 ZINC000129307865 490065008 /nfs/dbraw/zinc/06/50/08/490065008.db2.gz FVSAUJNEFLJAPW-UHFFFAOYSA-N 0 0 235.312 2.215 10 0 BEAERN C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(F)cn1 ZINC000220750712 490142254 /nfs/dbraw/zinc/14/22/54/490142254.db2.gz AMPFXKZQYQEAKI-ZMLRMANQSA-N 0 0 238.306 2.175 10 0 BEAERN Cn1cnc(CNc2nccc3sccc32)n1 ZINC000218885702 490547553 /nfs/dbraw/zinc/54/75/53/490547553.db2.gz PMUOPDNJHYUZEU-UHFFFAOYSA-N 0 0 245.311 2.037 10 0 BEAERN CCC[C@H](C)NC(=O)COc1ccc(O)cc1 ZINC000049289142 491077066 /nfs/dbraw/zinc/07/70/66/491077066.db2.gz YERFQFOCNFPVSH-JTQLQIEISA-N 0 0 237.299 2.076 10 0 BEAERN CSCCCCC(=O)N[C@@H]1C[C@H]1C ZINC000120980556 491068494 /nfs/dbraw/zinc/06/84/94/491068494.db2.gz DEDNNTHXWJMAEH-RKDXNWHRSA-N 0 0 201.335 2.044 10 0 BEAERN CCC[C@H](O)Cc1nc([C@@H](C)CC)no1 ZINC000082563096 491111777 /nfs/dbraw/zinc/11/17/77/491111777.db2.gz MKRXDSWLBWACNF-IUCAKERBSA-N 0 0 212.293 2.287 10 0 BEAERN COc1cccc([C@H](C)[NH2+]C2CSC2)c1 ZINC000215965926 491124810 /nfs/dbraw/zinc/12/48/10/491124810.db2.gz LKIIREOFXJQPRZ-VIFPVBQESA-N 0 0 223.341 2.461 10 0 BEAERN C[C@H]([NH2+]C1CSC1)c1cccc(O)c1 ZINC000215965706 491124826 /nfs/dbraw/zinc/12/48/26/491124826.db2.gz XIWGKPDRIBXKHE-QMMMGPOBSA-N 0 0 209.314 2.158 10 0 BEAERN COc1ccccc1[C@H](C)[NH2+]C1CSC1 ZINC000215965487 491124840 /nfs/dbraw/zinc/12/48/40/491124840.db2.gz CXMIJDSPXAGPFC-VIFPVBQESA-N 0 0 223.341 2.461 10 0 BEAERN CCC[C@H](O)Cc1nc([C@@H]2CC2(C)C)no1 ZINC000230933815 491131055 /nfs/dbraw/zinc/13/10/55/491131055.db2.gz IRBVHPKEMYJIKS-IUCAKERBSA-N 0 0 224.304 2.287 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H]1C[C@@H]1C ZINC000132903100 491141999 /nfs/dbraw/zinc/14/19/99/491141999.db2.gz RAINZNSZWRMRHR-XPUUQOCRSA-N 0 0 208.261 2.140 10 0 BEAERN c1nc(C2CC2)c(CNc2ncccn2)s1 ZINC000309353319 491147386 /nfs/dbraw/zinc/14/73/86/491147386.db2.gz NJZNSWUYSXJNRD-UHFFFAOYSA-N 0 0 232.312 2.423 10 0 BEAERN CCCCNC(=O)N[C@H]1CNc2ccccc2C1 ZINC000020256975 491156581 /nfs/dbraw/zinc/15/65/81/491156581.db2.gz BNOAUFWOUNKENH-GFCCVEGCSA-N 0 0 247.342 2.123 10 0 BEAERN Cc1ccn(CC(=O)N[C@H](C)c2cccs2)n1 ZINC000133899125 491160970 /nfs/dbraw/zinc/16/09/70/491160970.db2.gz HGGQTJKQGZJEPN-SNVBAGLBSA-N 0 0 249.339 2.130 10 0 BEAERN Cc1cc(CC(=O)[C@@H](C)O)ccc1Cl ZINC000757150074 582534034 /nfs/dbraw/zinc/53/40/34/582534034.db2.gz DVHNKHIWSJOIFE-MRVPVSSYSA-N 0 0 212.676 2.141 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccc(C)s1 ZINC000234592319 582642009 /nfs/dbraw/zinc/64/20/09/582642009.db2.gz IUGCWNAMQFNPGR-UWVGGRQHSA-N 0 0 246.715 2.410 10 0 BEAERN CCO[C@H]1CCCN(c2ccc(F)cc2N)C1 ZINC000042421279 535621498 /nfs/dbraw/zinc/62/14/98/535621498.db2.gz MLWPCKVWNYUMRZ-NSHDSACASA-N 0 0 238.306 2.413 10 0 BEAERN CC1(CCCn2cccc(N)c2=O)CC1 ZINC000725249732 582743071 /nfs/dbraw/zinc/74/30/71/582743071.db2.gz DHANFAUDHKMFLZ-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN O=C1CCC(O)(c2cccc(F)c2)CC1 ZINC000084323337 518202498 /nfs/dbraw/zinc/20/24/98/518202498.db2.gz YQCKMDRTWIMKNB-UHFFFAOYSA-N 0 0 208.232 2.156 10 0 BEAERN CCOP(=O)(OCC)Oc1cnccn1 ZINC000002530770 520242236 /nfs/dbraw/zinc/24/22/36/520242236.db2.gz HMFWESVGJAXCEJ-UHFFFAOYSA-N 0 0 232.176 2.037 10 0 BEAERN CCCC[C@@H](C(=O)OCC)C(=O)C(F)(F)F ZINC000390243532 520986140 /nfs/dbraw/zinc/98/61/40/520986140.db2.gz PKJRABGROUDFHL-SSDOTTSWSA-N 0 0 240.221 2.487 10 0 BEAERN CCOC(=O)c1oc2c(c1C)[C@@H](O)C[C@@H](C)C2 ZINC000057348300 521608088 /nfs/dbraw/zinc/60/80/88/521608088.db2.gz RUPJRWBPUXWVOF-APPZFPTMSA-N 0 0 238.283 2.380 10 0 BEAERN CN(C)[C@H](CO)c1ccccc1Br ZINC000095532574 522087958 /nfs/dbraw/zinc/08/79/58/522087958.db2.gz AKLBBTPITRWLKV-SNVBAGLBSA-N 0 0 244.132 2.044 10 0 BEAERN CC(=O)CCN1CCCc2ccccc21 ZINC000057491871 534725803 /nfs/dbraw/zinc/72/58/03/534725803.db2.gz UBTJNOYNQYCGQS-UHFFFAOYSA-N 0 0 203.285 2.418 10 0 BEAERN CCc1ccc([C@@H]2NC[C@H](C)O[C@H]2C)o1 ZINC000252448675 524040531 /nfs/dbraw/zinc/04/05/31/524040531.db2.gz ZKMFNBKTKXOQST-HOTUBEGUSA-N 0 0 209.289 2.280 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)C[C@@H]1C(C)C ZINC000260345546 582880004 /nfs/dbraw/zinc/88/00/04/582880004.db2.gz DAXZZEMIIITEQS-WDEREUQCSA-N 0 0 212.289 2.191 10 0 BEAERN C[C@@H]1CN(Cc2ccccc2)CC(=O)[C@H]1C ZINC000238856729 525007547 /nfs/dbraw/zinc/00/75/47/525007547.db2.gz XAROUNQNJBQCKU-NEPJUHHUSA-N 0 0 217.312 2.344 10 0 BEAERN CC(=O)c1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000052300371 534867053 /nfs/dbraw/zinc/86/70/53/534867053.db2.gz WFEAGBHKINISIB-PELKAZGASA-N 0 0 232.283 2.419 10 0 BEAERN CC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000253567914 534883921 /nfs/dbraw/zinc/88/39/21/534883921.db2.gz KQCLNEFAMQZCSQ-ZDUSSCGKSA-N 0 0 244.294 2.200 10 0 BEAERN Cc1ccc(-c2noc([C@H](N)C(C)C)n2)n1C ZINC000229002875 525885703 /nfs/dbraw/zinc/88/57/03/525885703.db2.gz TVDLHYSCXNLVEA-SNVBAGLBSA-N 0 0 234.303 2.039 10 0 BEAERN CC(=O)c1ccccc1N1CCO[C@H](C)C1 ZINC000019871021 534916128 /nfs/dbraw/zinc/91/61/28/534916128.db2.gz PSDRONUWBDOWOD-SNVBAGLBSA-N 0 0 219.284 2.114 10 0 BEAERN Cc1nnc(C)c2c(Cl)nnc(Cl)c12 ZINC000062709504 526326309 /nfs/dbraw/zinc/32/63/09/526326309.db2.gz AYYJGGLBUYOIKI-UHFFFAOYSA-N 0 0 229.070 2.343 10 0 BEAERN CC(C)(C)OC(=O)NC1(C(F)F)CC1 ZINC000496349051 526435053 /nfs/dbraw/zinc/43/50/53/526435053.db2.gz XOQPXVGKMNXLIS-UHFFFAOYSA-N 0 0 207.220 2.309 10 0 BEAERN CN1CCOc2c(Br)cccc21 ZINC000062529575 536446208 /nfs/dbraw/zinc/44/62/08/536446208.db2.gz QWIVKWFRMUAKOT-UHFFFAOYSA-N 0 0 228.089 2.278 10 0 BEAERN Cc1noc(C)c1[C@H](O)c1ccccc1 ZINC000062709827 526577239 /nfs/dbraw/zinc/57/72/39/526577239.db2.gz RZHSEELJPXENBZ-GFCCVEGCSA-N 0 0 203.241 2.373 10 0 BEAERN O=c1[nH]ccn1-c1ccc(Cl)c(Cl)c1 ZINC000087665564 527446748 /nfs/dbraw/zinc/44/67/48/527446748.db2.gz GIEPBMWVHRBRNF-UHFFFAOYSA-N 0 0 229.066 2.472 10 0 BEAERN Nc1ccccc1OS(=O)(=O)c1ccccc1 ZINC000011737097 527529404 /nfs/dbraw/zinc/52/94/04/527529404.db2.gz UHCXRMWHYLSPDJ-UHFFFAOYSA-N 0 0 249.291 2.037 10 0 BEAERN OCc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000057348512 527631768 /nfs/dbraw/zinc/63/17/68/527631768.db2.gz QIYFJMHGAASNCP-UHFFFAOYSA-N 0 0 242.200 2.383 10 0 BEAERN CC(C)OC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000495873486 527814729 /nfs/dbraw/zinc/81/47/29/527814729.db2.gz ZSHXTRRXRKYQPN-SNVBAGLBSA-N 0 0 229.320 2.278 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000496496168 527821183 /nfs/dbraw/zinc/82/11/83/527821183.db2.gz KAXHRHWPDFSVHY-VIFPVBQESA-N 0 0 215.293 2.079 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000496808835 527823469 /nfs/dbraw/zinc/82/34/69/527823469.db2.gz FNFQNPLTZWOXJP-JGPRNRPPSA-N 0 0 229.320 2.325 10 0 BEAERN CC(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000496019963 527827439 /nfs/dbraw/zinc/82/74/39/527827439.db2.gz JJQWSENDONVHGW-AXFHLTTASA-N 0 0 239.315 2.079 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000308004367 529307575 /nfs/dbraw/zinc/30/75/75/529307575.db2.gz UWUGMLDBPZNDHO-YNEHKIRRSA-N 0 0 241.375 2.431 10 0 BEAERN CC(C)N(C(=O)[C@H]1CC[C@H](C)O1)C(C)C ZINC000155643490 534954298 /nfs/dbraw/zinc/95/42/98/534954298.db2.gz PZEXZMVOLKDXLG-WDEREUQCSA-N 0 0 213.321 2.199 10 0 BEAERN CC(C)c1nnc(N2CCCC[C@@H]2C)n1C ZINC000335673924 534993848 /nfs/dbraw/zinc/99/38/48/534993848.db2.gz FHUIBTVJQNYJFE-JTQLQIEISA-N 0 0 222.336 2.317 10 0 BEAERN CC(C)c1nnc(N2CCCC[C@H]2C)n1C ZINC000335673925 534994045 /nfs/dbraw/zinc/99/40/45/534994045.db2.gz FHUIBTVJQNYJFE-SNVBAGLBSA-N 0 0 222.336 2.317 10 0 BEAERN CC(C)(C)c1ccccc1C(=O)N1CC(CO)C1 ZINC000132781607 535126160 /nfs/dbraw/zinc/12/61/60/535126160.db2.gz JSRKKRABVHLATL-UHFFFAOYSA-N 0 0 247.338 2.048 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CCCO[C@@H](C)C1 ZINC000171422268 535145412 /nfs/dbraw/zinc/14/54/12/535145412.db2.gz PCOURLOLZKBTMY-RYUDHWBXSA-N 0 0 227.348 2.306 10 0 BEAERN CC(F)(F)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000335695437 535187542 /nfs/dbraw/zinc/18/75/42/535187542.db2.gz FGVWRUURVMRELV-NXEZZACHSA-N 0 0 247.285 2.202 10 0 BEAERN CCCCNc1ncnc(N2CCCCC2)c1N ZINC000040706412 535296929 /nfs/dbraw/zinc/29/69/29/535296929.db2.gz LGMWDMVNVNKQDH-UHFFFAOYSA-N 0 0 249.362 2.261 10 0 BEAERN CCCN(CCC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000079487405 535319189 /nfs/dbraw/zinc/31/91/89/535319189.db2.gz VPAYDJUSVHRXLW-VXGBXAGGSA-N 0 0 242.363 2.386 10 0 BEAERN CC(C)c1ccc(CN2CCNC2=O)cc1 ZINC000169091779 535371461 /nfs/dbraw/zinc/37/14/61/535371461.db2.gz KZFNMKNYDNWLGR-UHFFFAOYSA-N 0 0 218.300 2.335 10 0 BEAERN CCN1C(=O)CNc2cccc(Cl)c21 ZINC000077304368 535430375 /nfs/dbraw/zinc/43/03/75/535430375.db2.gz WTBDOISCTJADEQ-UHFFFAOYSA-N 0 0 210.664 2.118 10 0 BEAERN CCC[C@@H]1NC(=O)N(C2CCC(C)CC2)C1=O ZINC000348476392 535496310 /nfs/dbraw/zinc/49/63/10/535496310.db2.gz JYVLKGZQFLSLFT-ILDUYXDCSA-N 0 0 238.331 2.286 10 0 BEAERN CC[C@@H](Nc1nccn2c(C)nnc12)C(C)C ZINC000079469011 535810127 /nfs/dbraw/zinc/81/01/27/535810127.db2.gz NZVHLOCHTUWMCY-SNVBAGLBSA-N 0 0 233.319 2.279 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1CC1(C)C)c1ncc[nH]1 ZINC000218082889 535830655 /nfs/dbraw/zinc/83/06/55/535830655.db2.gz RRBMQCHRYHMDRU-IUCAKERBSA-N 0 0 221.304 2.023 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000248423509 535932631 /nfs/dbraw/zinc/93/26/31/535932631.db2.gz ZEEFNGJSIDCBID-CYDGBPFRSA-N 0 0 241.375 2.336 10 0 BEAERN CCc1ccccc1N1CCC(=O)CC1 ZINC000019508603 535941624 /nfs/dbraw/zinc/94/16/24/535941624.db2.gz XIFRSWWRTRPDNP-UHFFFAOYSA-N 0 0 203.285 2.418 10 0 BEAERN CCn1c(C)nnc1CSC[C@H]1CCCO1 ZINC000179810782 535977676 /nfs/dbraw/zinc/97/76/76/535977676.db2.gz HZZJPEXPQYPAHK-SNVBAGLBSA-N 0 0 241.360 2.019 10 0 BEAERN CC[C@H](C)NS(=O)(=O)CCCC(F)(F)F ZINC000215014409 536171221 /nfs/dbraw/zinc/17/12/21/536171221.db2.gz GQGMREHZDJBOKA-ZETCQYMHSA-N 0 0 247.282 2.047 10 0 BEAERN CNc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000334585656 536421043 /nfs/dbraw/zinc/42/10/43/536421043.db2.gz SXCSTHYVJDGBMW-GXFFZTMASA-N 0 0 230.311 2.353 10 0 BEAERN COC1CCN(c2ccc(C)cc2N)CC1 ZINC000037266271 536756485 /nfs/dbraw/zinc/75/64/85/536756485.db2.gz REHIPVQKEHZIAT-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN COC1CCN(c2ccc(N)cc2C)CC1 ZINC000057452403 536757347 /nfs/dbraw/zinc/75/73/47/536757347.db2.gz QZTFSLYXVYRWBE-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN COC1CCN(c2ccc(F)cc2C=O)CC1 ZINC000037266534 536757924 /nfs/dbraw/zinc/75/79/24/536757924.db2.gz YUJCVEIAXLDVPV-UHFFFAOYSA-N 0 0 237.274 2.253 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCC[C@@H](SC)C1 ZINC000134147852 536864007 /nfs/dbraw/zinc/86/40/07/536864007.db2.gz YAHLYZCCZDEJCF-GHMZBOCLSA-N 0 0 245.388 2.013 10 0 BEAERN CC(=O)c1ccc(-c2ccnn2C)s1 ZINC000075455203 537926760 /nfs/dbraw/zinc/92/67/60/537926760.db2.gz KYZWNNQKQNEZKA-UHFFFAOYSA-N 0 0 206.270 2.351 10 0 BEAERN O=C1C[C@@H]([C@@H]2CCCO2)C2(CCCCC2)N1 ZINC000685959907 537944974 /nfs/dbraw/zinc/94/49/74/537944974.db2.gz VHHKPQDGBZSNKG-QWRGUYRKSA-N 0 0 223.316 2.004 10 0 BEAERN CSc1nc(Cl)cc(-c2ccnn2C)n1 ZINC000725256993 538061577 /nfs/dbraw/zinc/06/15/77/538061577.db2.gz FHFIKSBBEOQCSE-UHFFFAOYSA-N 0 0 240.719 2.252 10 0 BEAERN Cn1nccc1-c1ccn(-c2ccc(F)cc2)n1 ZINC000725257907 538070114 /nfs/dbraw/zinc/07/01/14/538070114.db2.gz ZLGKSHICXOGHML-UHFFFAOYSA-N 0 0 242.257 2.412 10 0 BEAERN CC(C)(C)C1CCC2(CC1)CC(=O)NC[C@@H]2O ZINC000725262799 538089114 /nfs/dbraw/zinc/08/91/14/538089114.db2.gz RYGLXJSEYFQOPU-CVZZAPKMSA-N 0 0 239.359 2.090 10 0 BEAERN CCOC(=O)c1noc([C@@H](C)CC(C)C)n1 ZINC000704687508 582949864 /nfs/dbraw/zinc/94/98/64/582949864.db2.gz YWSCQQHCYAAOHT-QMMMGPOBSA-N 0 0 226.276 2.396 10 0 BEAERN FC(F)(F)c1ccccc1[C@H]1COCCN1 ZINC000076136656 566280996 /nfs/dbraw/zinc/28/09/96/566280996.db2.gz LRDXWBLDLLMHAP-SNVBAGLBSA-N 0 0 231.217 2.366 10 0 BEAERN CC[C@@H]1C[C@@H]1Cn1cc(Br)c(N)n1 ZINC000723052008 566281146 /nfs/dbraw/zinc/28/11/46/566281146.db2.gz MBXRUTNNSOFQRU-RNFRBKRXSA-N 0 0 244.136 2.274 10 0 BEAERN CC[C@H](C(=O)C1CC1)C(=O)C(F)(F)F ZINC000308530490 566298642 /nfs/dbraw/zinc/29/86/42/566298642.db2.gz JZUVDXPHSCFLPJ-ZCFIWIBFSA-N 0 0 208.179 2.123 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@H](C(C)C)N2 ZINC000685963813 566487914 /nfs/dbraw/zinc/48/79/14/566487914.db2.gz XIVKMORWTJCKIB-AAEUAGOBSA-N 0 0 221.300 2.049 10 0 BEAERN CC[C@@H]1Nc2cccc(OC)c2C[C@]1(C)O ZINC000685963812 566487944 /nfs/dbraw/zinc/48/79/44/566487944.db2.gz XIQKUAQAMGNTMW-STQMWFEESA-N 0 0 221.300 2.193 10 0 BEAERN CCOC(=O)c1cnc(C(C)(C)C)nc1C ZINC000230387305 566489504 /nfs/dbraw/zinc/48/95/04/566489504.db2.gz OWTRBNRLJLVKRB-UHFFFAOYSA-N 0 0 222.288 2.259 10 0 BEAERN OCc1ccc(OCc2ccc(O)cc2)cc1 ZINC000033831851 560088681 /nfs/dbraw/zinc/08/86/81/560088681.db2.gz HCAYDPXMXLXVCV-UHFFFAOYSA-N 0 0 230.263 2.464 10 0 biogenic,in-vitro BEAERN Cn1c(N)nc2cc(-c3ccccc3)cnc21 ZINC000005161520 560201063 /nfs/dbraw/zinc/20/10/63/560201063.db2.gz UZJBSXZLYIGJOT-UHFFFAOYSA-N 0 0 224.267 2.218 10 0 in-vitro BEAERN C[C@H](C(=O)C(C)(C)C)C(=O)C(F)(F)F ZINC000395458621 583058865 /nfs/dbraw/zinc/05/88/65/583058865.db2.gz KJAWXUIOQWYRBO-RXMQYKEDSA-N 0 0 210.195 2.369 10 0 BEAERN O=C(CC[C@@H]1CCCCO1)OCC(F)(F)F ZINC000111676258 588766371 /nfs/dbraw/zinc/76/63/71/588766371.db2.gz DUGYHHNRVZVYAU-QMMMGPOBSA-N 0 0 240.221 2.441 10 0 BEAERN CC(C)(C)/C=C/C(=O)OC[C@@H]1CCOC1 ZINC000111677698 588766461 /nfs/dbraw/zinc/76/64/61/588766461.db2.gz QHFXBFHDCUMRGE-DFVUYQKZSA-N 0 0 212.289 2.168 10 0 BEAERN CCCOCC(=O)OCCc1ccc(F)cc1 ZINC000111992534 588777852 /nfs/dbraw/zinc/77/78/52/588777852.db2.gz DVTAHPCUFZFPRX-UHFFFAOYSA-N 0 0 240.274 2.338 10 0 BEAERN O=C(N1CCC[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000112020193 588780744 /nfs/dbraw/zinc/78/07/44/588780744.db2.gz HORKZSJNZSPJJT-YFKPBYRVSA-N 0 0 249.154 2.350 10 0 BEAERN Cc1nn(C)cc1C(=O)Oc1ccc(C)cc1 ZINC000113009763 588822474 /nfs/dbraw/zinc/82/24/74/588822474.db2.gz ZNZHBFUORCDCBR-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN Cc1nn(C)cc1C(=O)OC[C@@H]1CC=CC[C@H]1C ZINC000113011605 588822489 /nfs/dbraw/zinc/82/24/89/588822489.db2.gz IIHJVFGFBNFJPB-PWSUYJOCSA-N 0 0 248.326 2.488 10 0 BEAERN C[C@@H]1C[C@H](C(F)(F)F)n2nccc2N1 ZINC000015933404 582458273 /nfs/dbraw/zinc/45/82/73/582458273.db2.gz IHJGEGBNYMMGDQ-PHDIDXHHSA-N 0 0 205.183 2.191 10 0 BEAERN CC(C)C(C)(C)Cn1cccc(N)c1=O ZINC000713230814 582468348 /nfs/dbraw/zinc/46/83/48/582468348.db2.gz QDZSGYYOKRNGGB-UHFFFAOYSA-N 0 0 208.305 2.113 10 0 BEAERN CCc1nc(C(=O)[C@@H]2C[C@@H]2C)sc1N ZINC000757121646 582496981 /nfs/dbraw/zinc/49/69/81/582496981.db2.gz BRBLRBXSRAXVKM-NTSWFWBYSA-N 0 0 210.302 2.126 10 0 BEAERN CN1CCc2cc(NC[C@@H]3CCCO3)ccc21 ZINC000757123276 582498149 /nfs/dbraw/zinc/49/81/49/582498149.db2.gz ACCJSGKMWNTPHD-ZDUSSCGKSA-N 0 0 232.327 2.270 10 0 BEAERN CCc1nc([C@H](O)[C@H](C)CC)sc1N ZINC000757123719 582498506 /nfs/dbraw/zinc/49/85/06/582498506.db2.gz AYQUJZPQNKBAOJ-HTRCEHHLSA-N 0 0 214.334 2.367 10 0 BEAERN CC(=O)c1cnc([C@H](O)C(C)(C)C)s1 ZINC000757125054 582500146 /nfs/dbraw/zinc/50/01/46/582500146.db2.gz DWNFLCOBPMTXQU-QMMMGPOBSA-N 0 0 213.302 2.425 10 0 BEAERN C[C@@H](F)CNc1ccc2c(c1)CCN2C ZINC000757125508 582500844 /nfs/dbraw/zinc/50/08/44/582500844.db2.gz DZBJURPJYDFGHJ-SECBINFHSA-N 0 0 208.280 2.449 10 0 BEAERN CC(=O)c1csc([C@@H](O)C(C)(C)C)n1 ZINC000757128610 582503211 /nfs/dbraw/zinc/50/32/11/582503211.db2.gz LVNKFNYHNJDNHF-MRVPVSSYSA-N 0 0 213.302 2.425 10 0 BEAERN COc1ccc2nn3c(c2c1)NC[C@@H](C)C3 ZINC000235011534 582503429 /nfs/dbraw/zinc/50/34/29/582503429.db2.gz RDFRUDTXHPEQBQ-MRVPVSSYSA-N 0 0 217.272 2.107 10 0 BEAERN CCC[C@@H]1N=C(OCC)CN=C1OCC ZINC000757128726 582503895 /nfs/dbraw/zinc/50/38/95/582503895.db2.gz ROMAXBUTFKHFPL-VIFPVBQESA-N 0 0 212.293 2.039 10 0 BEAERN Cn1ccc2cc(NC[C@@H](O)C3CC3)ccc21 ZINC000757129136 582504834 /nfs/dbraw/zinc/50/48/34/582504834.db2.gz KVENICGESFXGKE-CQSZACIVSA-N 0 0 230.311 2.361 10 0 BEAERN CCOC1=N[C@@H]([C@@H](C)CC)C(OCC)=NC1 ZINC000757129290 582504896 /nfs/dbraw/zinc/50/48/96/582504896.db2.gz VBCPAUUUYNRNHN-ONGXEEELSA-N 0 0 226.320 2.285 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccc2c(c1)CCN2C ZINC000757133017 582508873 /nfs/dbraw/zinc/50/88/73/582508873.db2.gz SIHAQOKGJYLQTH-ZWNOBZJWSA-N 0 0 232.327 2.268 10 0 BEAERN COC(=O)c1sc([C@H](O)C(C)(C)F)nc1C ZINC000757134313 582511496 /nfs/dbraw/zinc/51/14/96/582511496.db2.gz YFOIXTYAXWBNER-ZETCQYMHSA-N 0 0 247.291 2.020 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1cc2ccccc2[nH]1 ZINC000757137290 582516766 /nfs/dbraw/zinc/51/67/66/582516766.db2.gz YSMXQZIWKUMALE-RKDXNWHRSA-N 0 0 204.273 2.349 10 0 BEAERN Cc1cn(CCc2ccsc2)nc1N ZINC000069790619 582524526 /nfs/dbraw/zinc/52/45/26/582524526.db2.gz WULISWNLTNJEBD-UHFFFAOYSA-N 0 0 207.302 2.078 10 0 BEAERN Cc1cc(Cn2ccnn2)ccc1Cl ZINC000757145295 582527421 /nfs/dbraw/zinc/52/74/21/582527421.db2.gz LDIGBJYDVOYSOV-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN Cc1cc(CSC[C@@H](O)CO)ccc1Cl ZINC000757145594 582528558 /nfs/dbraw/zinc/52/85/58/582528558.db2.gz ODCAOYDCDUZOKT-JTQLQIEISA-N 0 0 246.759 2.235 10 0 BEAERN Cc1cc(CN2CCCN2)ccc1Cl ZINC000757151444 582536008 /nfs/dbraw/zinc/53/60/08/582536008.db2.gz HEAALRFUSPWUFK-UHFFFAOYSA-N 0 0 210.708 2.359 10 0 BEAERN CSC[C@H](Cc1ccc(Cl)c(C)c1)NN ZINC000757155934 582539718 /nfs/dbraw/zinc/53/97/18/582539718.db2.gz FQANKHOBJXDPHJ-JTQLQIEISA-N 0 0 244.791 2.386 10 0 BEAERN CC[C@H]1CN(c2nc(C)cc(Cl)n2)CCO1 ZINC000757165010 582546389 /nfs/dbraw/zinc/54/63/89/582546389.db2.gz DIRIOUWLCSHMEB-VIFPVBQESA-N 0 0 241.722 2.054 10 0 BEAERN COC(=O)c1nc(N)sc1CC(C)(C)C ZINC000757186542 582555154 /nfs/dbraw/zinc/55/51/54/582555154.db2.gz IYQNXTXZRVSWMR-UHFFFAOYSA-N 0 0 228.317 2.101 10 0 BEAERN CCOC(=O)/C=C(/C)c1ccnc(F)c1 ZINC000757188517 582555950 /nfs/dbraw/zinc/55/59/50/582555950.db2.gz CYQPIXWCTOWXOG-VURMDHGXSA-N 0 0 209.220 2.187 10 0 BEAERN O=C([O-])[C@H]1[NH2+]CCC[C@@H]1c1cccc2cc[nH]c21 ZINC000757217800 582561451 /nfs/dbraw/zinc/56/14/51/582561451.db2.gz SMKROMGUTZBGRK-YPMHNXCESA-N 0 0 244.294 2.088 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@H](c2ccsc2)[NH2+]1 ZINC000757218557 582562965 /nfs/dbraw/zinc/56/29/65/582562965.db2.gz WFGBCZNXWLLJBA-FKTZTGRPSA-N 0 0 225.313 2.262 10 0 BEAERN C[C@@H]1C[C@@H](C)n2nc(C(F)(F)F)nc2N1 ZINC000235377231 582570581 /nfs/dbraw/zinc/57/05/81/582570581.db2.gz POILLCBYTMRUDV-RFZPGFLSSA-N 0 0 220.198 2.062 10 0 BEAERN C[C@H]1C[C@H](C)n2nc3cc(N)ccc3c2N1 ZINC000235695559 582603020 /nfs/dbraw/zinc/60/30/20/582603020.db2.gz LSMBTORJRSPJBF-YUMQZZPRSA-N 0 0 216.288 2.384 10 0 BEAERN Cc1nc2n(n1)[C@H](c1ccsc1)CCN2 ZINC000236035465 582636617 /nfs/dbraw/zinc/63/66/17/582636617.db2.gz RRJQJVJNUUZJNI-VIFPVBQESA-N 0 0 220.301 2.053 10 0 BEAERN FC(F)[C@H]1CCn2cc(C(F)(F)F)nc2N1 ZINC000236129148 582639679 /nfs/dbraw/zinc/63/96/79/582639679.db2.gz RQBFPKYEBKHMFJ-SCSAIBSYSA-N 0 0 241.163 2.351 10 0 BEAERN Cc1ccc([C@H]2CCCC(=O)N2)cc1F ZINC000210723415 582673450 /nfs/dbraw/zinc/67/34/50/582673450.db2.gz OHQUZLGUKNCCDX-LLVKDONJSA-N 0 0 207.248 2.475 10 0 BEAERN C[C@@H](Cn1cc(N)nn1)C1CCCCC1 ZINC000379954880 582685357 /nfs/dbraw/zinc/68/53/57/582685357.db2.gz CROBGFMXRWCGTD-VIFPVBQESA-N 0 0 208.309 2.077 10 0 BEAERN CCOC(=O)c1noc(-c2csc(C)c2)n1 ZINC000381347876 582688893 /nfs/dbraw/zinc/68/88/93/582688893.db2.gz DKTXZXXKWRWOFV-UHFFFAOYSA-N 0 0 238.268 2.283 10 0 BEAERN COC(=O)c1nn(C(C)C)c(N)c1C1CCC1 ZINC000258381084 582703938 /nfs/dbraw/zinc/70/39/38/582703938.db2.gz XXGCTUSQFZWAIP-UHFFFAOYSA-N 0 0 237.303 2.100 10 0 BEAERN CC(C)CC(=O)OCCc1cccnc1 ZINC000113666244 588848181 /nfs/dbraw/zinc/84/81/81/588848181.db2.gz WTIOZRRDZHQIGJ-UHFFFAOYSA-N 0 0 207.273 2.213 10 0 BEAERN CS[C@H](C)C(=O)O[C@H](C)c1cccnc1 ZINC000113684751 588850072 /nfs/dbraw/zinc/85/00/72/588850072.db2.gz YBGCFQMJELJTHZ-RKDXNWHRSA-N 0 0 225.313 2.437 10 0 BEAERN Nc1nc(C2CCCC2)nc(N2CCCCC2)n1 ZINC000104382470 582793011 /nfs/dbraw/zinc/79/30/11/582793011.db2.gz SOBAPMJGVLSGDB-UHFFFAOYSA-N 0 0 247.346 2.102 10 0 BEAERN CCCOCCOC(=O)/C=C(/C)C1CC1 ZINC000107413238 582797179 /nfs/dbraw/zinc/79/71/79/582797179.db2.gz DUDGYOUQTKJAAG-KTKRTIGZSA-N 0 0 212.289 2.313 10 0 BEAERN CCCCC(=O)OCCc1c(C)nn(C)c1C ZINC000127717015 582819024 /nfs/dbraw/zinc/81/90/24/582819024.db2.gz QILKLYLGJJEYAT-UHFFFAOYSA-N 0 0 238.331 2.313 10 0 BEAERN c1cc2c(o1)CC[NH2+][C@H]2[C@@H]1CCCCO1 ZINC000702581431 582927148 /nfs/dbraw/zinc/92/71/48/582927148.db2.gz TUGMPXCBRHFEMD-NWDGAFQWSA-N 0 0 207.273 2.036 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]1(CC)C1CCCC1 ZINC000395783671 583068040 /nfs/dbraw/zinc/06/80/40/583068040.db2.gz ROFMEHFHULHEGS-JQWIXIFHSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C(=O)C(F)F)=C(O)[C@H]1CC1(C)C ZINC000397584184 583102256 /nfs/dbraw/zinc/10/22/56/583102256.db2.gz IKUFVYIDDLLKJX-PHDIDXHHSA-N 0 0 204.216 2.072 10 0 BEAERN CCn1cc(C(=O)OCC(C)(C)C)cn1 ZINC000114622171 588878625 /nfs/dbraw/zinc/87/86/25/588878625.db2.gz QQWQHXJWCIVZRI-UHFFFAOYSA-N 0 0 210.277 2.106 10 0 BEAERN CCn1cc(C(=O)OCc2ccoc2C)cn1 ZINC000114623826 588878808 /nfs/dbraw/zinc/87/88/08/588878808.db2.gz CXDMBQBZCYAOKI-UHFFFAOYSA-N 0 0 234.255 2.161 10 0 BEAERN C[C@H](O)c1ccc(N(C)Cc2cscn2)nc1 ZINC000213264769 583164854 /nfs/dbraw/zinc/16/48/54/583164854.db2.gz FOPDOUYEVHIADJ-VIFPVBQESA-N 0 0 249.339 2.228 10 0 BEAERN C[C@@H]1CCCCCN1c1ncc(C=O)cn1 ZINC000126416384 583213511 /nfs/dbraw/zinc/21/35/11/583213511.db2.gz JWGLJZDBVPTPAH-SNVBAGLBSA-N 0 0 219.288 2.058 10 0 BEAERN CCc1c(N)n(C)nc1-c1ccsc1 ZINC000026512072 583691183 /nfs/dbraw/zinc/69/11/83/583691183.db2.gz ITPYJPWQGFWEKK-UHFFFAOYSA-N 0 0 207.302 2.293 10 0 BEAERN COCCOC(=O)C(C)(C)c1cccs1 ZINC000115733200 588924818 /nfs/dbraw/zinc/92/48/18/588924818.db2.gz ZJZDTZGPDMWABE-UHFFFAOYSA-N 0 0 228.313 2.215 10 0 BEAERN C[C@@H]([NH3+])c1cc(Br)c([O-])cc1F ZINC000216834116 584943567 /nfs/dbraw/zinc/94/35/67/584943567.db2.gz QKRJIETZUUIEMM-SCSAIBSYSA-N 0 0 234.068 2.314 10 0 BEAERN O=c1sccn1CCSC(F)(F)F ZINC000123953956 585024141 /nfs/dbraw/zinc/02/41/41/585024141.db2.gz HJIGHOIIURUKNY-UHFFFAOYSA-N 0 0 229.248 2.163 10 0 BEAERN c1cc2n(n1)[C@H](c1ccsc1)CCN2 ZINC000232463285 585030914 /nfs/dbraw/zinc/03/09/14/585030914.db2.gz GWHBHUIITAPQJK-VIFPVBQESA-N 0 0 205.286 2.350 10 0 BEAERN CCOC(=O)c1noc([C@@H](C)C(C)(C)C)n1 ZINC000205542848 585031834 /nfs/dbraw/zinc/03/18/34/585031834.db2.gz PPQWNPRFWJCQLB-SSDOTTSWSA-N 0 0 226.276 2.396 10 0 BEAERN CO[C@H](C)C(=O)O[C@@H](c1ccccn1)C(C)C ZINC000121322716 585044096 /nfs/dbraw/zinc/04/40/96/585044096.db2.gz WZLLYYVDKBEWBY-ZYHUDNBSSA-N 0 0 237.299 2.357 10 0 BEAERN CC(=O)c1ccc(OC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000121359567 585090151 /nfs/dbraw/zinc/09/01/51/585090151.db2.gz GQFAAETYKKJTPN-NOZJJQNGSA-N 0 0 248.278 2.362 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccccc1F ZINC000103356828 585096646 /nfs/dbraw/zinc/09/66/46/585096646.db2.gz YOLDGYPWONXSSP-SECBINFHSA-N 0 0 226.247 2.151 10 0 BEAERN COC[C@@H](C)C(=O)OC[C@@H]1CC=CCC1 ZINC000103356666 585096758 /nfs/dbraw/zinc/09/67/58/585096758.db2.gz NWDLTDSPFFYJHR-GHMZBOCLSA-N 0 0 212.289 2.168 10 0 BEAERN CCCCC[C@@H](C)NC(=O)[C@@H](C)COC ZINC000103357355 585096824 /nfs/dbraw/zinc/09/68/24/585096824.db2.gz LQZRIOSNBTWEDH-WDEREUQCSA-N 0 0 215.337 2.354 10 0 BEAERN COC[C@H](C)C(=O)OC[C@H]1CC1(Cl)Cl ZINC000103552359 585335977 /nfs/dbraw/zinc/33/59/77/585335977.db2.gz AYNKIIITIQORLH-NKWVEPMBSA-N 0 0 241.114 2.006 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccnc(Cl)c1 ZINC000103552042 585335998 /nfs/dbraw/zinc/33/59/98/585335998.db2.gz LAGMENOIZYOFGG-QMMMGPOBSA-N 0 0 243.690 2.061 10 0 BEAERN Nc1c(Cl)nn(C2CC2)c1C(F)(F)F ZINC000757568862 586358115 /nfs/dbraw/zinc/35/81/15/586358115.db2.gz OVQPAWASSAAUJM-UHFFFAOYSA-N 0 0 225.601 2.472 10 0 BEAERN S=c1[nH]cnc2c1nnn2C1CCCCC1 ZINC000757569641 586367048 /nfs/dbraw/zinc/36/70/48/586367048.db2.gz UZMYDJBTBXMYRQ-UHFFFAOYSA-N 0 0 235.316 2.015 10 0 BEAERN CCO[C@@H](C)c1nc2[nH]ccc2c(NC)n1 ZINC000757569771 586381323 /nfs/dbraw/zinc/38/13/23/586381323.db2.gz UZQSMLQEIGQPQC-ZETCQYMHSA-N 0 0 220.276 2.049 10 0 BEAERN C[C@H](OC[C@@H]1CCCO1)C(=O)OCC(C)(C)C ZINC000103699948 586418172 /nfs/dbraw/zinc/41/81/72/586418172.db2.gz LLAJNHWLXDTJNO-QWRGUYRKSA-N 0 0 244.331 2.160 10 0 BEAERN CC(=O)c1cc(C(=O)OCC(C)(C)C)n(C)c1 ZINC000103701434 586419821 /nfs/dbraw/zinc/41/98/21/586419821.db2.gz FDIHAHKORWSKLS-UHFFFAOYSA-N 0 0 237.299 2.431 10 0 BEAERN CC[C@H](C)[C@@H](O)c1nc(C)c(C=O)s1 ZINC000757126391 586425892 /nfs/dbraw/zinc/42/58/92/586425892.db2.gz HIPAVELVMLWPSF-IMTBSYHQSA-N 0 0 213.302 2.344 10 0 BEAERN CC[C@H](C)[C@@H](O)c1nc(C(=O)OC)cs1 ZINC000757133789 586426346 /nfs/dbraw/zinc/42/63/46/586426346.db2.gz WUHMJIIWFGFSPR-POYBYMJQSA-N 0 0 229.301 2.009 10 0 BEAERN C[C@H](CCO)Nc1ccc2c(ccn2C)c1 ZINC000757129782 586426427 /nfs/dbraw/zinc/42/64/27/586426427.db2.gz MYLVKHSUCQKVFH-SNVBAGLBSA-N 0 0 218.300 2.361 10 0 BEAERN CC[C@H](C)[C@H](O)c1nc(C)c(C=O)s1 ZINC000757126396 586426580 /nfs/dbraw/zinc/42/65/80/586426580.db2.gz HIPAVELVMLWPSF-RCOVLWMOSA-N 0 0 213.302 2.344 10 0 BEAERN CCC[C@H](N)c1nc(N(C(C)C)C(C)C)no1 ZINC000757123966 586426631 /nfs/dbraw/zinc/42/66/31/586426631.db2.gz MIRFXEFBYKCZRR-JTQLQIEISA-N 0 0 240.351 2.493 10 0 BEAERN CC[C@@H](O)[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153086 586429585 /nfs/dbraw/zinc/42/95/85/586429585.db2.gz NDTQXYVCYQJDRC-NEPJUHHUSA-N 0 0 228.719 2.323 10 0 BEAERN CCOC(=O)[C@]1(F)C[C@H](CC)CCC1=O ZINC000757182871 586433752 /nfs/dbraw/zinc/43/37/52/586433752.db2.gz LYWLGNZEJMTSFL-KCJUWKMLSA-N 0 0 216.252 2.037 10 0 BEAERN COC(=O)[C@H](CO)C1CCC(C(C)C)CC1 ZINC000757191542 586435377 /nfs/dbraw/zinc/43/53/77/586435377.db2.gz ILRZPKROTXHMJQ-HTAVTVPLSA-N 0 0 228.332 2.230 10 0 BEAERN COC(=O)[C@H](CO)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000757190485 586435598 /nfs/dbraw/zinc/43/55/98/586435598.db2.gz ACKKQGFNNBELHH-GARJFASQSA-N 0 0 228.332 2.230 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C)c(C)c2)C1 ZINC000757193329 586436269 /nfs/dbraw/zinc/43/62/69/586436269.db2.gz SLYVMOFQRDZEIB-KBPBESRZSA-N 0 0 247.338 2.423 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1csc2ccccc21 ZINC000757195074 586436522 /nfs/dbraw/zinc/43/65/22/586436522.db2.gz YXKMJTJIGGLECQ-UWVGGRQHSA-N 0 0 247.319 2.289 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2cccc(C)c2C)C1 ZINC000757194146 586436577 /nfs/dbraw/zinc/43/65/77/586436577.db2.gz YPUVFINYPPGDAY-KBPBESRZSA-N 0 0 247.338 2.423 10 0 BEAERN CC(=O)c1cccc([C@H]2CC[C@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757212561 586439562 /nfs/dbraw/zinc/43/95/62/586439562.db2.gz IVHXNZVNZCEIKV-QWHCGFSZSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](c2cccs2)[NH2+]1 ZINC000757214315 586440391 /nfs/dbraw/zinc/44/03/91/586440391.db2.gz LWLMVPNMOIHAKX-IWSPIJDZSA-N 0 0 225.313 2.262 10 0 BEAERN CC(=O)c1ccc([C@@H]2[NH2+]CCC[C@@H]2C(=O)[O-])cc1 ZINC000757218911 586442245 /nfs/dbraw/zinc/44/22/45/586442245.db2.gz XKUIGVVIHSTKER-STQMWFEESA-N 0 0 247.294 2.015 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220829 586442295 /nfs/dbraw/zinc/44/22/95/586442295.db2.gz ZONYZLHPLKQGCA-CMPLNLGQSA-N 0 0 244.294 2.293 10 0 BEAERN O=C([O-])[C@@H]1C[C@@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757220818 586442436 /nfs/dbraw/zinc/44/24/36/586442436.db2.gz ZOLVFHBCEARJTO-JQWIXIFHSA-N 0 0 244.294 2.088 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757220835 586442692 /nfs/dbraw/zinc/44/26/92/586442692.db2.gz ZONYZLHPLKQGCA-ZYHUDNBSSA-N 0 0 244.294 2.293 10 0 BEAERN C[C@@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757232640 586443242 /nfs/dbraw/zinc/44/32/42/586443242.db2.gz JCXHPZKZEJMURQ-BXKDBHETSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237586 586443748 /nfs/dbraw/zinc/44/37/48/586443748.db2.gz QHBQTHCVUULJEL-CABZTGNLSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1C[NH2+]C[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236334 586443762 /nfs/dbraw/zinc/44/37/62/586443762.db2.gz OFNZDGXZLJVIMT-SKDRFNHKSA-N 0 0 219.284 2.098 10 0 BEAERN Cc1sc([C@H]2C[NH2+]C[C@@H](C)C2)cc1C(=O)[O-] ZINC000757237552 586443882 /nfs/dbraw/zinc/44/38/82/586443882.db2.gz QFQGVUIRXKLJAI-IONNQARKSA-N 0 0 239.340 2.468 10 0 BEAERN C[C@@H]1C[C@H](c2ccc(C(=O)[O-])cc2)CC[NH2+]1 ZINC000757239654 586444121 /nfs/dbraw/zinc/44/41/21/586444121.db2.gz VPIOIRKYOWRIRP-BXKDBHETSA-N 0 0 219.284 2.240 10 0 BEAERN CC(C)CCCn1nnc2c1ncnc2Cl ZINC000757563860 586459889 /nfs/dbraw/zinc/45/98/89/586459889.db2.gz ACKMQTQGGKYKAU-UHFFFAOYSA-N 0 0 239.710 2.311 10 0 BEAERN CCNc1nc(-c2nccs2)nc2[nH]ccc21 ZINC000757564307 586461131 /nfs/dbraw/zinc/46/11/31/586461131.db2.gz DFJXJZVSAQFIGS-UHFFFAOYSA-N 0 0 245.311 2.465 10 0 BEAERN CC(C)[C@@H](C)n1nnc2c1ncnc2Cl ZINC000757566227 586461704 /nfs/dbraw/zinc/46/17/04/586461704.db2.gz LGSDJYXBGKFERA-ZCFIWIBFSA-N 0 0 225.683 2.092 10 0 BEAERN CS(=O)(=O)Nc1ccc(-c2ccoc2)cc1 ZINC000757566678 586461749 /nfs/dbraw/zinc/46/17/49/586461749.db2.gz KWCNVIQCCHTDBA-UHFFFAOYSA-N 0 0 237.280 2.318 10 0 BEAERN COc1ccc(OC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000121382441 587490985 /nfs/dbraw/zinc/49/09/85/587490985.db2.gz IHCFUCVNYNHUCZ-BXKDBHETSA-N 0 0 236.267 2.168 10 0 BEAERN COc1ccc(CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1 ZINC000117531404 589102416 /nfs/dbraw/zinc/10/24/16/589102416.db2.gz HSQBMRZDSKGFNY-VXGBXAGGSA-N 0 0 247.338 2.352 10 0 BEAERN COCCOC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000101712746 587766883 /nfs/dbraw/zinc/76/68/83/587766883.db2.gz RPUIOIVNISWEOO-HNNXBMFYSA-N 0 0 248.322 2.470 10 0 BEAERN CCOCCC(=O)OC[C@@H]1CC=CCC1 ZINC000102847793 587884550 /nfs/dbraw/zinc/88/45/50/587884550.db2.gz AQHBQVYYOXNWKW-LLVKDONJSA-N 0 0 212.289 2.313 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1csc(NC)n1 ZINC000121499935 587950474 /nfs/dbraw/zinc/95/04/74/587950474.db2.gz IPUZHEFDUSMULB-JGVFFNPUSA-N 0 0 239.344 2.103 10 0 BEAERN CCCCCCNC(C)(C)C(=O)OCC ZINC000121534929 588095875 /nfs/dbraw/zinc/09/58/75/588095875.db2.gz NRYDGUQSOXGORD-UHFFFAOYSA-N 0 0 215.337 2.498 10 0 BEAERN CSCCC(=O)OCc1scnc1C ZINC000105548109 588199915 /nfs/dbraw/zinc/19/99/15/588199915.db2.gz DTFWGZYNYSJQJA-UHFFFAOYSA-N 0 0 231.342 2.248 10 0 BEAERN CCCC(=O)NCC(=O)Oc1cccc(C)c1C ZINC000105755278 588220872 /nfs/dbraw/zinc/22/08/72/588220872.db2.gz HAFCBJDJUVXDND-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN COc1ccsc1C(=O)OCC(F)(F)F ZINC000106298800 588265090 /nfs/dbraw/zinc/26/50/90/588265090.db2.gz CHDPTUZJOKHTHC-UHFFFAOYSA-N 0 0 240.202 2.476 10 0 BEAERN CCCCCC(=O)OCCN1CCCCC1=O ZINC000107026475 588323208 /nfs/dbraw/zinc/32/32/08/588323208.db2.gz BQUYGMALGSQASV-UHFFFAOYSA-N 0 0 241.331 2.122 10 0 BEAERN CCOC(=O)C(F)(F)Cc1ccccc1 ZINC000107274600 588345397 /nfs/dbraw/zinc/34/53/97/588345397.db2.gz XMKMYQLAOYTTMV-UHFFFAOYSA-N 0 0 214.211 2.428 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)C2=COCCC2)C1 ZINC000107425488 588364148 /nfs/dbraw/zinc/36/41/48/588364148.db2.gz XQTIPWRSPCLNHY-VXGBXAGGSA-N 0 0 240.299 2.182 10 0 BEAERN CCCCCCOCC(=O)N[C@H]1C[C@@H]1C ZINC000107589833 588383448 /nfs/dbraw/zinc/38/34/48/588383448.db2.gz LYVCCEGVXXZUDA-QWRGUYRKSA-N 0 0 213.321 2.108 10 0 BEAERN Cc1ccc(C(=O)OCC(=O)C2CC2)c(C)c1 ZINC000109367347 588556600 /nfs/dbraw/zinc/55/66/00/588556600.db2.gz VGUKLCCNZWTAKK-UHFFFAOYSA-N 0 0 232.279 2.439 10 0 BEAERN O=C(COC(=O)c1ccc2c(c1)CCC2)C1CC1 ZINC000109368494 588557020 /nfs/dbraw/zinc/55/70/20/588557020.db2.gz DNQDUJYRBJXQMT-UHFFFAOYSA-N 0 0 244.290 2.311 10 0 BEAERN CCCCOCC(=O)O[C@@H]1CCC[C@@H](OC)C1 ZINC000118188235 589160931 /nfs/dbraw/zinc/16/09/31/589160931.db2.gz ZNWOZKFJWXZWCD-VXGBXAGGSA-N 0 0 244.331 2.304 10 0 BEAERN CCCCO[C@@H](C)C(=O)OCC1(CC)COC1 ZINC000118984386 589226216 /nfs/dbraw/zinc/22/62/16/589226216.db2.gz HDOJVLJCRUSKTC-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)C2CC=CC2)C1 ZINC000119365522 589275264 /nfs/dbraw/zinc/27/52/64/589275264.db2.gz OOQKDWRAOMULKP-RYUDHWBXSA-N 0 0 224.300 2.453 10 0 BEAERN CCCn1cnnc1COC(=O)CCC(C)C ZINC000119550138 589303349 /nfs/dbraw/zinc/30/33/49/589303349.db2.gz OPLODEHENVFFAX-UHFFFAOYSA-N 0 0 239.319 2.168 10 0 BEAERN CCCn1cnnc1COC(=O)c1ccccc1 ZINC000119570957 589309009 /nfs/dbraw/zinc/30/90/09/589309009.db2.gz TTXXHZNAAIRONB-UHFFFAOYSA-N 0 0 245.282 2.045 10 0 BEAERN CCO[C@@H]1C[C@H](OC(C)=O)C12CCCC2 ZINC000119599026 589310697 /nfs/dbraw/zinc/31/06/97/589310697.db2.gz VFEMKEPQEHEPAD-MNOVXSKESA-N 0 0 212.289 2.287 10 0 BEAERN O=C1OC(c2cccnc2)=N/C1=C\c1ccco1 ZINC000205600352 589457347 /nfs/dbraw/zinc/45/73/47/589457347.db2.gz CNHYXSHKDKXIIK-XFFZJAGNSA-N 0 0 240.218 2.019 10 0 BEAERN Cc1cccc(CNC(=O)C2=C(C)OCCC2)n1 ZINC000121075155 589492687 /nfs/dbraw/zinc/49/26/87/589492687.db2.gz PZAOTEJRYJTKRP-UHFFFAOYSA-N 0 0 246.310 2.091 10 0 BEAERN CCC(=CC(=O)OCC(=O)C1CC1)CC ZINC000122075028 589552409 /nfs/dbraw/zinc/55/24/09/589552409.db2.gz HBYBLYKCGUMVQM-UHFFFAOYSA-N 0 0 210.273 2.255 10 0 BEAERN CCCCCC(C)(C)C(=O)N1CC(CO)C1 ZINC000122219894 589565935 /nfs/dbraw/zinc/56/59/35/589565935.db2.gz CKXTYGGZFCGUCZ-UHFFFAOYSA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)CCOC(=O)[C@H]1CC[C@@H](C)O1 ZINC000122231353 589567387 /nfs/dbraw/zinc/56/73/87/589567387.db2.gz QVTUALGFSRCZDR-NXEZZACHSA-N 0 0 200.278 2.143 10 0 BEAERN CC(C)(C)COC(=O)[C@@H]1CCCCO1 ZINC000122249574 589573053 /nfs/dbraw/zinc/57/30/53/589573053.db2.gz KMIWXXAYWMAYSW-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN O=C(OCc1cncs1)c1cccc(F)n1 ZINC000122257348 589573268 /nfs/dbraw/zinc/57/32/68/589573268.db2.gz YFDLFXQIRQDXKX-UHFFFAOYSA-N 0 0 238.243 2.034 10 0 BEAERN O=C(OCC(F)(F)F)c1cccs1 ZINC000122294185 589577153 /nfs/dbraw/zinc/57/71/53/589577153.db2.gz LRFSHJOLWYNALH-UHFFFAOYSA-N 0 0 210.176 2.467 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCc2cccs2)O1 ZINC000122316639 589578417 /nfs/dbraw/zinc/57/84/17/589578417.db2.gz RAJRLTDXEWIVLL-WPRPVWTQSA-N 0 0 226.297 2.359 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCC2CCCC2)O1 ZINC000122646959 589613757 /nfs/dbraw/zinc/61/37/57/589613757.db2.gz XNLHMCQFQFOYBB-GXSJLCMTSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cccc(CCCOC(=O)C2CC2)n1 ZINC000123220193 589679144 /nfs/dbraw/zinc/67/91/44/589679144.db2.gz YFNCNSNVCSPLBK-UHFFFAOYSA-N 0 0 219.284 2.276 10 0 BEAERN O=C(OC[C@@H]1CC1(Cl)Cl)c1cccnc1 ZINC000123258674 589683279 /nfs/dbraw/zinc/68/32/79/589683279.db2.gz XCSFWCINQSAGQU-QMMMGPOBSA-N 0 0 246.093 2.432 10 0 BEAERN C[C@H](O)c1ccc(N2CCS[C@@H](C)C2)nc1 ZINC000123571304 589755352 /nfs/dbraw/zinc/75/53/52/589755352.db2.gz YMAOANHBWBOPJK-UWVGGRQHSA-N 0 0 238.356 2.077 10 0 BEAERN CCc1csc(NC(C)(C)[C@@H](C)O)n1 ZINC000123718629 589776908 /nfs/dbraw/zinc/77/69/08/589776908.db2.gz LZLCCEQTWXLBBN-SSDOTTSWSA-N 0 0 214.334 2.277 10 0 BEAERN Nc1cc(-c2ccc(Cl)cc2F)[nH]n1 ZINC000019515355 589943998 /nfs/dbraw/zinc/94/39/98/589943998.db2.gz UEQXJCMGMASTAY-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC[C@H]2CC=CCC2)O1 ZINC000124171128 589958102 /nfs/dbraw/zinc/95/81/02/589958102.db2.gz ABCQUXLEXACJCP-WOPDTQHZSA-N 0 0 224.300 2.453 10 0 BEAERN CCc1c(N)n(C)nc1-c1ccccc1 ZINC000019688937 589971927 /nfs/dbraw/zinc/97/19/27/589971927.db2.gz MEYOPBSBLYDZBB-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN CCC[C@H](C)C(=O)OCc1nncn1CCC ZINC000124274625 589972422 /nfs/dbraw/zinc/97/24/22/589972422.db2.gz HSFPIWKSGQCZJY-JTQLQIEISA-N 0 0 239.319 2.168 10 0 BEAERN CCOc1cccnc1C(=O)O[C@@H](C)CC ZINC000124534234 590047815 /nfs/dbraw/zinc/04/78/15/590047815.db2.gz KFVHECAXXQHOOF-VIFPVBQESA-N 0 0 223.272 2.436 10 0 BEAERN CC(=O)c1ccc(-n2cnc(C)c2C)nc1 ZINC000124691125 590074336 /nfs/dbraw/zinc/07/43/36/590074336.db2.gz OZRWAHLDXCWZHH-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Oc2ccccc2F)O1 ZINC000124772764 590084628 /nfs/dbraw/zinc/08/46/28/590084628.db2.gz HVYMRGOHWJYBOJ-KWQFWETISA-N 0 0 224.231 2.299 10 0 BEAERN Cc1ccc(OC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000124778765 590084946 /nfs/dbraw/zinc/08/49/46/590084946.db2.gz CNQAXBYHFOEZDS-ZYHUDNBSSA-N 0 0 220.268 2.468 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Oc2ccccc2)O1 ZINC000124783080 590085128 /nfs/dbraw/zinc/08/51/28/590085128.db2.gz JPSYBXFQVSLCIF-KOLCDFICSA-N 0 0 206.241 2.160 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Oc2ccccc2)O1 ZINC000124782807 590085162 /nfs/dbraw/zinc/08/51/62/590085162.db2.gz JPSYBXFQVSLCIF-GXSJLCMTSA-N 0 0 206.241 2.160 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Oc2cccc(F)c2)O1 ZINC000124790132 590085270 /nfs/dbraw/zinc/08/52/70/590085270.db2.gz FRNBEDQNBUZPMK-KCJUWKMLSA-N 0 0 224.231 2.299 10 0 BEAERN O=Cc1cccc(OCc2ccno2)c1 ZINC000020253990 590093514 /nfs/dbraw/zinc/09/35/14/590093514.db2.gz YZMNQKVCOFDSOM-UHFFFAOYSA-N 0 0 203.197 2.066 10 0 BEAERN CC(C)CN(C)c1ccc([C@@H](C)O)cn1 ZINC000124906790 590098274 /nfs/dbraw/zinc/09/82/74/590098274.db2.gz SOQGUNPPOPVAIW-SNVBAGLBSA-N 0 0 208.305 2.227 10 0 BEAERN C[C@H](O)c1ccc(N2CCSC[C@H]2C)nc1 ZINC000124944971 590102611 /nfs/dbraw/zinc/10/26/11/590102611.db2.gz HHKBPNZKIFPDRF-ZJUUUORDSA-N 0 0 238.356 2.077 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000124991272 590107539 /nfs/dbraw/zinc/10/75/39/590107539.db2.gz PZHVOJUCSZUZQP-SCVCMEIPSA-N 0 0 235.283 2.253 10 0 BEAERN Cc1nn(-c2cncc(C=O)c2)c(C)c1C ZINC000125000395 590108387 /nfs/dbraw/zinc/10/83/87/590108387.db2.gz LGLZHXKPYZOKMR-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN CCCNC(=S)N[C@@H](CC)c1nccs1 ZINC000125189842 590151028 /nfs/dbraw/zinc/15/10/28/590151028.db2.gz XQVATRVDILGEBO-QMMMGPOBSA-N 0 0 243.401 2.468 10 0 BEAERN CC(C)n1ccc(CNCc2ccoc2)n1 ZINC000125264557 590159453 /nfs/dbraw/zinc/15/94/53/590159453.db2.gz VKEHFTJQLWUADY-UHFFFAOYSA-N 0 0 219.288 2.347 10 0 BEAERN CC/C=C(/C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125432012 590163883 /nfs/dbraw/zinc/16/38/83/590163883.db2.gz IGQUGUBSGGXBCK-WCIBSUBMSA-N 0 0 247.342 2.472 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OC2(C3CC3)CC2)O1 ZINC000125486750 590166324 /nfs/dbraw/zinc/16/63/24/590166324.db2.gz MITXKHGREUXFEG-WPRPVWTQSA-N 0 0 210.273 2.040 10 0 BEAERN CC(C)(C)[C@@H]1CCN(C(=O)n2ccnc2)C1 ZINC000125580682 590171593 /nfs/dbraw/zinc/17/15/93/590171593.db2.gz DFOIJJQYFHBMCO-SNVBAGLBSA-N 0 0 221.304 2.219 10 0 BEAERN CCCC[C@H](C)OC(=O)CCn1cccn1 ZINC000126612367 590373334 /nfs/dbraw/zinc/37/33/34/590373334.db2.gz CJVATWOJDMRAHY-NSHDSACASA-N 0 0 224.304 2.395 10 0 BEAERN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1ccoc1 ZINC000126666808 590394124 /nfs/dbraw/zinc/39/41/24/590394124.db2.gz RXCIISXTLUHJJB-MXWKQRLJSA-N 0 0 236.267 2.250 10 0 BEAERN Cc1nc(CC(=O)OC2(C)CCC2)cs1 ZINC000126783456 590444202 /nfs/dbraw/zinc/44/42/02/590444202.db2.gz QRNCGWVIWPJHLZ-UHFFFAOYSA-N 0 0 225.313 2.480 10 0 BEAERN CCc1cccc(CC(=O)OCCCOC)c1 ZINC000126819975 590460840 /nfs/dbraw/zinc/46/08/40/590460840.db2.gz CQKTXCMJMPFFDW-UHFFFAOYSA-N 0 0 236.311 2.371 10 0 BEAERN CCCC[C@H](C)OC(=O)c1ccnn1C ZINC000126856721 590475235 /nfs/dbraw/zinc/47/52/35/590475235.db2.gz IJFWSDCYSZFZCM-VIFPVBQESA-N 0 0 210.277 2.156 10 0 BEAERN CCCC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000126919391 590496085 /nfs/dbraw/zinc/49/60/85/590496085.db2.gz QEAUQPCKBCSGKW-DVVUODLYSA-N 0 0 212.289 2.143 10 0 BEAERN CCc1cccc(CC(=O)OCC2(C)COC2)c1 ZINC000126980211 590526791 /nfs/dbraw/zinc/52/67/91/590526791.db2.gz HMMPXOFMNUFYRV-UHFFFAOYSA-N 0 0 248.322 2.371 10 0 BEAERN CCCOCCOC(=O)[C@H]1CC1(C)C ZINC000127089547 590561445 /nfs/dbraw/zinc/56/14/45/590561445.db2.gz OXKGCVZGWSUUHN-SECBINFHSA-N 0 0 200.278 2.002 10 0 BEAERN CC(C)[C@H](C)OC(=O)CCOC1CCOCC1 ZINC000127083501 590560932 /nfs/dbraw/zinc/56/09/32/590560932.db2.gz KOOAVXXXSNMDDV-NSHDSACASA-N 0 0 244.331 2.160 10 0 BEAERN CCn1ccnc1COc1ccc(C=O)cc1F ZINC000127115537 590565251 /nfs/dbraw/zinc/56/52/51/590565251.db2.gz SSNSKWPYTAJMHZ-UHFFFAOYSA-N 0 0 248.257 2.434 10 0 BEAERN COC(=O)N(C)CCCC(=O)O[C@H](C)C(C)C ZINC000127327650 590621865 /nfs/dbraw/zinc/62/18/65/590621865.db2.gz HUPKFHLNLVLRED-SNVBAGLBSA-N 0 0 245.319 2.053 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1Cc2ccccc21 ZINC000127539304 590703963 /nfs/dbraw/zinc/70/39/63/590703963.db2.gz MDVIWWGAKFISGI-NSHDSACASA-N 0 0 219.284 2.461 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@H]1CCCOC1 ZINC000127622589 590725720 /nfs/dbraw/zinc/72/57/20/590725720.db2.gz XZCXNFBTWTYKGA-ZJUUUORDSA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CCOC[C@H]1CCCO1 ZINC000127899016 590841742 /nfs/dbraw/zinc/84/17/42/590841742.db2.gz GNJDNFDHILGPOY-VXGBXAGGSA-N 0 0 244.331 2.160 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=S)NC2CC2)C1 ZINC000127942397 590849876 /nfs/dbraw/zinc/84/98/76/590849876.db2.gz UTORUUZRTFKVRH-BDAKNGLRSA-N 0 0 212.362 2.144 10 0 BEAERN COC[C@H](C)NC(=S)N1C[C@@H](C)CC[C@H]1C ZINC000127946040 590850254 /nfs/dbraw/zinc/85/02/54/590850254.db2.gz MXPPWEQMIRTECY-GARJFASQSA-N 0 0 244.404 2.016 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@@H](C)OCC1CC1 ZINC000128073644 590885797 /nfs/dbraw/zinc/88/57/97/590885797.db2.gz KDIPVYCKDDDKQZ-NXEZZACHSA-N 0 0 214.305 2.389 10 0 BEAERN Cc1nn(C)c(C)c1CC(=O)O[C@H](C)C(C)C ZINC000128127797 590909320 /nfs/dbraw/zinc/90/93/20/590909320.db2.gz ZCMRQTFXZOBKSA-LLVKDONJSA-N 0 0 238.331 2.167 10 0 BEAERN CC1(C)CCN(C(=O)N2CCCCC2)C1 ZINC000128315839 590979119 /nfs/dbraw/zinc/97/91/19/590979119.db2.gz PHQVFHUWNKFYDU-UHFFFAOYSA-N 0 0 210.321 2.324 10 0 BEAERN CC[C@@H]1CN(C(=O)N2CCCCC2)CCS1 ZINC000128317974 590979209 /nfs/dbraw/zinc/97/92/09/590979209.db2.gz DBPJQEOBVJPBHV-LLVKDONJSA-N 0 0 242.388 2.420 10 0 BEAERN C[C@@H]1CN(C(=O)N2CCCCC2)C[C@H]1C ZINC000128323006 590990207 /nfs/dbraw/zinc/99/02/07/590990207.db2.gz YPORAHLDADBHKQ-GHMZBOCLSA-N 0 0 210.321 2.180 10 0 BEAERN C=COCCOC(=O)c1ccc(F)c(F)c1 ZINC000128357041 591003822 /nfs/dbraw/zinc/00/38/22/591003822.db2.gz JVUINGLTTBZMBZ-UHFFFAOYSA-N 0 0 228.194 2.282 10 0 BEAERN C[C@@H](O)c1ccn(C/C(Cl)=C/Cl)n1 ZINC000128707341 591152225 /nfs/dbraw/zinc/15/22/25/591152225.db2.gz COMRZGCNIXHIHI-CDXJMXTPSA-N 0 0 221.087 2.255 10 0 BEAERN CC/C=C(\C)C(=O)N1CCC[C@@H]1CCCO ZINC000211208523 591148359 /nfs/dbraw/zinc/14/83/59/591148359.db2.gz PIFNHUATNJUMEG-IGEMTJHASA-N 0 0 225.332 2.106 10 0 BEAERN Cc1cccc(OCCn2ccc([C@@H](C)O)n2)c1 ZINC000128681648 591150832 /nfs/dbraw/zinc/15/08/32/591150832.db2.gz BPHBKGZIGPBFKY-GFCCVEGCSA-N 0 0 246.310 2.324 10 0 BEAERN O=C(N[C@H]1CCCc2occc21)n1ccnc1 ZINC000129804444 591410190 /nfs/dbraw/zinc/41/01/90/591410190.db2.gz FSLGKEQQQQVQKH-JTQLQIEISA-N 0 0 231.255 2.111 10 0 BEAERN O=C(NCCC1=CCCCC1)n1ccnc1 ZINC000129957950 591423621 /nfs/dbraw/zinc/42/36/21/591423621.db2.gz YOAHMUFTZWDBFO-UHFFFAOYSA-N 0 0 219.288 2.331 10 0 BEAERN Cc1nn(-c2ccc(O)cc2)c(C)c1C=O ZINC000213387596 591465186 /nfs/dbraw/zinc/46/51/86/591465186.db2.gz LWMVUKPMWJVDMS-UHFFFAOYSA-N 0 0 216.240 2.007 10 0 BEAERN Cc1cc(C)cc(OC(=O)C[C@H]2COC(=O)C2)c1 ZINC000130749652 591514614 /nfs/dbraw/zinc/51/46/14/591514614.db2.gz HMZUOEVTDUHESD-NSHDSACASA-N 0 0 248.278 2.162 10 0 BEAERN CNc1nc2c(cccc2Br)[nH]1 ZINC000213914804 591517710 /nfs/dbraw/zinc/51/77/10/591517710.db2.gz BYEPNFPTOQWBLY-UHFFFAOYSA-N 0 0 226.077 2.367 10 0 BEAERN c1cc(C[NH2+]CCNc2ccccc2)co1 ZINC000130839183 591527087 /nfs/dbraw/zinc/52/70/87/591527087.db2.gz CAPVRCBBKDFUPY-UHFFFAOYSA-N 0 0 216.284 2.481 10 0 BEAERN CN1C(=O)CNc2cc(C(F)(F)F)ccc21 ZINC000214030879 591528293 /nfs/dbraw/zinc/52/82/93/591528293.db2.gz ZFWZWCVGVAKODE-UHFFFAOYSA-N 0 0 230.189 2.094 10 0 BEAERN CCC[C@H](N)c1nc([C@H](CCC)OC)no1 ZINC000131173282 591564989 /nfs/dbraw/zinc/56/49/89/591564989.db2.gz GJZOMBVNQOUUNW-IUCAKERBSA-N 0 0 227.308 2.357 10 0 BEAERN CCc1cccc(OC(=O)C[C@@H]2COC(=O)C2)c1 ZINC000131181856 591566925 /nfs/dbraw/zinc/56/69/25/591566925.db2.gz XWBORSKUZOXXDJ-LLVKDONJSA-N 0 0 248.278 2.108 10 0 BEAERN CCC1(CC)[C@H](OC)C[C@H]1OC(C)=O ZINC000131220114 591573121 /nfs/dbraw/zinc/57/31/21/591573121.db2.gz FTBYRHMCZMWDCH-NXEZZACHSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@@H]1CC[C@H](OC(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000131446859 591609253 /nfs/dbraw/zinc/60/92/53/591609253.db2.gz JSJDKXDCRRQDBK-FOGDFJRCSA-N 0 0 236.315 2.402 10 0 BEAERN COC[C@@H](OC(=O)C1CCCC1)C1CC1 ZINC000131776197 591655212 /nfs/dbraw/zinc/65/52/12/591655212.db2.gz PKAXIVITTGGCOM-LLVKDONJSA-N 0 0 212.289 2.145 10 0 BEAERN CC[C@@H](SC)C(=O)O[C@H](COC)C1CC1 ZINC000131672876 591636877 /nfs/dbraw/zinc/63/68/77/591636877.db2.gz RNOWXTRQSNUYLX-NXEZZACHSA-N 0 0 232.345 2.096 10 0 BEAERN C[C@H](OC(=O)[C@H]1CCCCO1)C(F)(F)F ZINC000131745512 591649522 /nfs/dbraw/zinc/64/95/22/591649522.db2.gz PZFZLVZJGZPPSP-NKWVEPMBSA-N 0 0 226.194 2.050 10 0 BEAERN COC[C@@H](OC(=O)/C=C(/C)C1CC1)C1CC1 ZINC000131727607 591649735 /nfs/dbraw/zinc/64/97/35/591649735.db2.gz IOTBATFRENRFIZ-ZVTBTPLYSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@@H](OC(=O)[C@H](C)C1CC1)C1CC1 ZINC000131799161 591658565 /nfs/dbraw/zinc/65/85/65/591658565.db2.gz MTTXSSLMBKPBJG-LDYMZIIASA-N 0 0 212.289 2.001 10 0 BEAERN COC[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)C1CC1 ZINC000132179331 591691930 /nfs/dbraw/zinc/69/19/30/591691930.db2.gz GXSKQYUJBKSOHI-WOPDTQHZSA-N 0 0 224.300 2.001 10 0 BEAERN CO[C@@H](C)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000132247218 591696118 /nfs/dbraw/zinc/69/61/18/591696118.db2.gz WHXNCLDAAJNNQK-IUCAKERBSA-N 0 0 248.282 2.202 10 0 BEAERN Nc1cccnc1C(=O)N1CCCCCCC1 ZINC000132315114 591700865 /nfs/dbraw/zinc/70/08/65/591700865.db2.gz SPMOKYTWFFPDKJ-UHFFFAOYSA-N 0 0 233.315 2.070 10 0 BEAERN COC[C@H](OC(=O)c1oc(C)cc1C)C1CC1 ZINC000132322170 591701475 /nfs/dbraw/zinc/70/14/75/591701475.db2.gz WKVXRWFCNMQWHL-NSHDSACASA-N 0 0 238.283 2.478 10 0 BEAERN CCCSCC(=O)O[C@H](COC)C1CC1 ZINC000132597466 591722387 /nfs/dbraw/zinc/72/23/87/591722387.db2.gz ZLOHNTHDHQDUTJ-SNVBAGLBSA-N 0 0 232.345 2.098 10 0 BEAERN CC1(C)CCC(C(=O)OCCCC(N)=O)CC1 ZINC000132451997 591710001 /nfs/dbraw/zinc/71/00/01/591710001.db2.gz CBJLKJKRJGKVGP-UHFFFAOYSA-N 0 0 241.331 2.012 10 0 BEAERN COC(=O)[C@@H](C)c1cccc2c1OCCC2 ZINC000132560677 591719761 /nfs/dbraw/zinc/71/97/61/591719761.db2.gz YXSXMZAONWNWRK-VIFPVBQESA-N 0 0 220.268 2.288 10 0 BEAERN C[C@@H](O)c1ccn(Cc2ccccc2F)n1 ZINC000133701381 591847899 /nfs/dbraw/zinc/84/78/99/591847899.db2.gz CWULVLDTEFZQGM-SECBINFHSA-N 0 0 220.247 2.124 10 0 BEAERN Cc1cccc(Cn2ccc([C@H](C)O)n2)c1 ZINC000133793005 591857559 /nfs/dbraw/zinc/85/75/59/591857559.db2.gz RNBFZVWPTHWXJG-NSHDSACASA-N 0 0 216.284 2.293 10 0 BEAERN O=C(CCC1CCC1)OCCNc1cccnn1 ZINC000134162868 591896666 /nfs/dbraw/zinc/89/66/66/591896666.db2.gz CDRXJKLAHGSBIX-UHFFFAOYSA-N 0 0 249.314 2.012 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2cccc(F)n2)C1 ZINC000135575363 592020364 /nfs/dbraw/zinc/02/03/64/592020364.db2.gz UHNZYHWGTWWYSY-JTQLQIEISA-N 0 0 236.290 2.339 10 0 BEAERN COC(=O)N[C@H]1CCCc2ccccc21 ZINC000135857773 592065977 /nfs/dbraw/zinc/06/59/77/592065977.db2.gz BBIAGNCSRBJKLF-NSHDSACASA-N 0 0 205.257 2.420 10 0 BEAERN CC/C=C/COC(=O)C(C)(C)C(=O)OCC ZINC000136273474 592103906 /nfs/dbraw/zinc/10/39/06/592103906.db2.gz JPRMWTGYNHTWHN-BQYQJAHWSA-N 0 0 228.288 2.085 10 0 BEAERN COC(=O)[C@](C)(CCC(C)=O)C(C)C ZINC000138991758 592331272 /nfs/dbraw/zinc/33/12/72/592331272.db2.gz ZIIWTDYBBHQCLS-LLVKDONJSA-N 0 0 200.278 2.191 10 0 BEAERN O=Cc1cnc(N2CCC[C@H]2C2CCCC2)nc1 ZINC000126307801 592723807 /nfs/dbraw/zinc/72/38/07/592723807.db2.gz OQNHOGLOSWLSFT-ZDUSSCGKSA-N 0 0 245.326 2.448 10 0 BEAERN CC[C@H](C)CN(CC)c1ncc(C=O)cn1 ZINC000126422395 592724683 /nfs/dbraw/zinc/72/46/83/592724683.db2.gz YQAXNPNEMWFDQN-JTQLQIEISA-N 0 0 221.304 2.162 10 0 BEAERN C[C@@H](N(C)c1ncc(C=O)cn1)C(C)(C)C ZINC000126404753 592724713 /nfs/dbraw/zinc/72/47/13/592724713.db2.gz JCMZDMBONKXPII-SECBINFHSA-N 0 0 221.304 2.160 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(C2(C)CCCC2)no1 ZINC000312931176 634413709 /nfs/dbraw/zinc/41/37/09/634413709.db2.gz QJPBVVQONKHBEH-JTQLQIEISA-N 0 0 238.331 2.461 10 0 BEAERN OCCNc1ccc(/C=C\c2ccccc2)nn1 ZINC000096840186 631252287 /nfs/dbraw/zinc/25/22/87/631252287.db2.gz QAJYIQORAAQNEX-SREVYHEPSA-N 0 0 241.294 2.051 10 0 BEAERN CSCCOC(=O)[C@@H]1CCC[C@@H]1C ZINC000308313497 631276095 /nfs/dbraw/zinc/27/60/95/631276095.db2.gz UMEKDBSXQASLCC-DTWKUNHWSA-N 0 0 202.319 2.329 10 0 BEAERN CC(C)CCCOC(=O)CCn1cccn1 ZINC000126112399 635625541 /nfs/dbraw/zinc/62/55/41/635625541.db2.gz QEDHBHORQWPPRM-UHFFFAOYSA-N 0 0 224.304 2.253 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000082609557 631407908 /nfs/dbraw/zinc/40/79/08/631407908.db2.gz MCGAALUWSQERFI-RKDXNWHRSA-N 0 0 215.293 2.079 10 0 BEAERN CC(=O)c1cccc(-n2cc(C)cn2)c1 ZINC000082912332 631418184 /nfs/dbraw/zinc/41/81/84/631418184.db2.gz ZVCMABQJNJUNSW-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN Clc1cnccc1CNCc1ccncc1 ZINC000083360495 631424316 /nfs/dbraw/zinc/42/43/16/631424316.db2.gz IGCWNJCSGURMNV-UHFFFAOYSA-N 0 0 233.702 2.420 10 0 BEAERN O=Cc1cccc(F)c1-n1cc(Cl)cn1 ZINC000236217382 631570690 /nfs/dbraw/zinc/57/06/90/631570690.db2.gz LNPZECCMPABSCO-UHFFFAOYSA-N 0 0 224.622 2.477 10 0 BEAERN CCCOC(=O)c1ccc(Cl)c(OC)c1N ZINC000042391853 631728516 /nfs/dbraw/zinc/72/85/16/631728516.db2.gz BYPZDLHUUHRASN-UHFFFAOYSA-N 0 0 243.690 2.498 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1nc2ccccc2s1 ZINC000309040442 631823608 /nfs/dbraw/zinc/82/36/08/631823608.db2.gz KWYHIASDJKDIIN-JGVFFNPUSA-N 0 0 222.313 2.478 10 0 BEAERN Cc1[nH]nc(N)c1-c1cc(F)cc(F)c1 ZINC000049350552 631879642 /nfs/dbraw/zinc/87/96/42/631879642.db2.gz BODFBAUYKYFOHA-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN CCn1ncnc1-c1ccc(C(C)=O)cc1 ZINC000309152576 631909212 /nfs/dbraw/zinc/90/92/12/631909212.db2.gz YZVZILMSZNIZNR-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN Cc1nc(N)ccc1-c1cn(C)nc1C(C)C ZINC000091508392 632040195 /nfs/dbraw/zinc/04/01/95/632040195.db2.gz QBAPRJPXQOZAQD-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN CC/C=C(/C)C(=O)NCCc1c(C)nn(C)c1C ZINC000120535094 635722782 /nfs/dbraw/zinc/72/27/82/635722782.db2.gz HHSSRJGJFWGMPG-YFHOEESVSA-N 0 0 249.358 2.052 10 0 BEAERN Cc1oc(C[NH2+][C@H](C)C2CC2)cc1C(=O)[O-] ZINC000235184803 632460152 /nfs/dbraw/zinc/46/01/52/632460152.db2.gz AFPAUMWKMVUMAW-SSDOTTSWSA-N 0 0 223.272 2.174 10 0 BEAERN COCC[C@@H](N)c1nc(-c2ccc(C)cc2)no1 ZINC000052785357 632488033 /nfs/dbraw/zinc/48/80/33/632488033.db2.gz RPTWWJRQPOOHMY-LLVKDONJSA-N 0 0 247.298 2.081 10 0 BEAERN Cc1ccc(F)c(-c2cc(N)n(C)n2)c1 ZINC000052983626 632525252 /nfs/dbraw/zinc/52/52/52/632525252.db2.gz OVQFUUZTFDCJDN-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN CSc1cnc(NC[C@@H](O)C(C)(C)C)nc1 ZINC000309704493 632654981 /nfs/dbraw/zinc/65/49/81/632654981.db2.gz NYJPMQMCEOIYIW-SECBINFHSA-N 0 0 241.360 2.017 10 0 BEAERN CC[C@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000179706433 632757132 /nfs/dbraw/zinc/75/71/32/632757132.db2.gz APAQVDZOOOXNMP-WHXUTIOJSA-N 0 0 242.315 2.308 10 0 BEAERN C[C@H](O)[C@H](C)SC[C@@H](O)c1ccccc1 ZINC000235584658 632790957 /nfs/dbraw/zinc/79/09/57/632790957.db2.gz UEIZVKSVWLASGG-JBLDHEPKSA-N 0 0 226.341 2.223 10 0 BEAERN COC[C@@H](C)C(=O)O[C@H](C)C1CCC1 ZINC000177288011 632803338 /nfs/dbraw/zinc/80/33/38/632803338.db2.gz NTEUOWZCDDFXML-RKDXNWHRSA-N 0 0 200.278 2.001 10 0 BEAERN Cc1cnn(-c2cccc(F)c2C=O)c1 ZINC000235969737 632856980 /nfs/dbraw/zinc/85/69/80/632856980.db2.gz WQYUYFOTLYRYDY-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN Cc1cnn(CCNc2nc(Cl)cs2)c1 ZINC000235959989 632857318 /nfs/dbraw/zinc/85/73/18/632857318.db2.gz YQKDYFHYGFRPFL-UHFFFAOYSA-N 0 0 242.735 2.414 10 0 BEAERN CC(C)C[C@@H](N)c1nc(Cc2ccncc2)no1 ZINC000053129447 633005239 /nfs/dbraw/zinc/00/52/39/633005239.db2.gz OISNWJZSEWRYNA-LLVKDONJSA-N 0 0 246.314 2.101 10 0 BEAERN CCC[C@H](C)OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000178215442 633032413 /nfs/dbraw/zinc/03/24/13/633032413.db2.gz YZZIZQZULFHWEW-GUBZILKMSA-N 0 0 200.278 2.286 10 0 BEAERN CCC(F)(F)Cn1cc(Cl)c(N)n1 ZINC000707599321 633181532 /nfs/dbraw/zinc/18/15/32/633181532.db2.gz YIMDXLJTUWPJKW-UHFFFAOYSA-N 0 0 209.627 2.164 10 0 BEAERN CC(=O)Nc1ccc(C(=O)OC[C@H]2C[C@@H]2C)cc1 ZINC000049055708 636007022 /nfs/dbraw/zinc/00/70/22/636007022.db2.gz DTDUCQMWYPXEIK-JOYOIKCWSA-N 0 0 247.294 2.458 10 0 BEAERN Cc1cc(-c2cncc(C=O)c2)sn1 ZINC000307096960 635982252 /nfs/dbraw/zinc/98/22/52/635982252.db2.gz FAARUEIWRVOVQG-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000126784281 636031410 /nfs/dbraw/zinc/03/14/10/636031410.db2.gz OOVSQHGFGHRCNY-UHFFFAOYSA-N 0 0 220.659 2.248 10 0 BEAERN C[C@@H](Nc1ccnc(C(F)(F)F)c1)[C@H](C)O ZINC000309901637 633917520 /nfs/dbraw/zinc/91/75/20/633917520.db2.gz HYCZELZCWBTJGU-RQJHMYQMSA-N 0 0 234.221 2.282 10 0 BEAERN CON(C)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000182877429 633959430 /nfs/dbraw/zinc/95/94/30/633959430.db2.gz RHSXNLXGRRTDQB-VHSXEESVSA-N 0 0 213.321 2.469 10 0 BEAERN CCn1ccnc1CN(Cc1ccccc1)OC ZINC000183092832 633967232 /nfs/dbraw/zinc/96/72/32/633967232.db2.gz XLJMVUBZHYRWHQ-UHFFFAOYSA-N 0 0 245.326 2.467 10 0 BEAERN C[C@@H](O)c1ccn(Cc2ccc3c(c2)CCC3)n1 ZINC000185469415 634047377 /nfs/dbraw/zinc/04/73/77/634047377.db2.gz ITUBTQVUYRYJQQ-LLVKDONJSA-N 0 0 242.322 2.473 10 0 BEAERN CCOC[C@H](C)OC(=O)C1CCCC1 ZINC000190755767 634193209 /nfs/dbraw/zinc/19/32/09/634193209.db2.gz HDBCSLOWGSTTQQ-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN CCCCCCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000191688473 634220794 /nfs/dbraw/zinc/22/07/94/634220794.db2.gz USVDIIIDENUFBG-NWDGAFQWSA-N 0 0 227.348 2.498 10 0 BEAERN O[C@@H]1CCN(Cc2ccno2)c2ccccc21 ZINC000123553050 634245510 /nfs/dbraw/zinc/24/55/10/634245510.db2.gz HXKYRKQIPQTEOM-CYBMUJFWSA-N 0 0 230.267 2.118 10 0 BEAERN CON(C)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000298776124 634253628 /nfs/dbraw/zinc/25/36/28/634253628.db2.gz ISYSPNVYCJDNGZ-OLZOCXBDSA-N 0 0 249.310 2.174 10 0 BEAERN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)C1CCC1 ZINC000123968477 634336954 /nfs/dbraw/zinc/33/69/54/634336954.db2.gz LSQFSYFUGLVIGY-MRVPVSSYSA-N 0 0 223.272 2.256 10 0 BEAERN C=C[C@H](CC)OC(=O)[C@@H]1CCCO[C@H]1C ZINC000249080531 635116419 /nfs/dbraw/zinc/11/64/19/635116419.db2.gz OOIWBXWOZDLMGF-HBNTYKKESA-N 0 0 212.289 2.309 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCCC(F)(F)F)O1 ZINC000150831658 635220495 /nfs/dbraw/zinc/22/04/95/635220495.db2.gz YJDDTNURYGHKHP-NKWVEPMBSA-N 0 0 226.194 2.050 10 0 BEAERN C=C[C@H](CC)OC(=O)[C@H]1CCCO[C@H]1C ZINC000249080530 635247534 /nfs/dbraw/zinc/24/75/34/635247534.db2.gz OOIWBXWOZDLMGF-AXFHLTTASA-N 0 0 212.289 2.309 10 0 BEAERN CN[C@H](C)c1nc(Cc2cccc(C)c2)no1 ZINC000054053311 635339625 /nfs/dbraw/zinc/33/96/25/635339625.db2.gz HQNWKHPFNGQDAQ-SNVBAGLBSA-N 0 0 231.299 2.249 10 0 BEAERN Cc1cc(C(=O)NC[C@H](O)C(C)(C)C)cs1 ZINC000324441689 635488871 /nfs/dbraw/zinc/48/88/71/635488871.db2.gz SREDSMHNXGOOJN-JTQLQIEISA-N 0 0 241.356 2.193 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(O)c(C)c1 ZINC000233948303 635546582 /nfs/dbraw/zinc/54/65/82/635546582.db2.gz SRDRGGZUKDUBRV-AAEUAGOBSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1nc2ccccc2nc1N[C@H](C)[C@H](C)O ZINC000343796650 636775634 /nfs/dbraw/zinc/77/56/34/636775634.db2.gz SZCYEKFOARWTMP-SCZZXKLOSA-N 0 0 231.299 2.119 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1coc(Br)c1 ZINC000075516745 636782891 /nfs/dbraw/zinc/78/28/91/636782891.db2.gz WYIREAZSKKNUMQ-VDTYLAMSSA-N 0 0 244.088 2.180 10 0 BEAERN CS[C@@H](C)CNC(=O)CSC(C)(C)C ZINC000130328760 636801694 /nfs/dbraw/zinc/80/16/94/636801694.db2.gz WMSXDCHYKNRIEM-QMMMGPOBSA-N 0 0 235.418 2.386 10 0 BEAERN C[C@@]1(OC(=O)CCc2ccccc2)CCOC1 ZINC000034511135 636935948 /nfs/dbraw/zinc/93/59/48/636935948.db2.gz HTAFYUJVPHNKRB-CQSZACIVSA-N 0 0 234.295 2.341 10 0 BEAERN Cc1cc(Cl)cc(C(=O)N[C@H](C)[C@H](C)O)c1 ZINC000346372592 637092747 /nfs/dbraw/zinc/09/27/47/637092747.db2.gz AGKATEMLQGXGGO-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1c(Cl)cccc1C(=O)N[C@@H](C)[C@@H](C)O ZINC000346384389 637094065 /nfs/dbraw/zinc/09/40/65/637094065.db2.gz FAUHOLAKGPALOP-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN CCc1ccc(CCC(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000346397312 637105847 /nfs/dbraw/zinc/10/58/47/637105847.db2.gz XRGUWINJSYINDX-NWDGAFQWSA-N 0 0 249.354 2.067 10 0 BEAERN CC[C@H](C(=O)N[C@@H](C)[C@H](C)O)c1ccccc1 ZINC000346400472 637105910 /nfs/dbraw/zinc/10/59/10/637105910.db2.gz JUHVZRRSNXHWIN-GVXVVHGQSA-N 0 0 235.327 2.066 10 0 BEAERN CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000346418465 637112501 /nfs/dbraw/zinc/11/25/01/637112501.db2.gz NMKKUYVGNZDXKQ-WDEREUQCSA-N 0 0 235.327 2.309 10 0 BEAERN Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@H](C)O ZINC000346440839 637140202 /nfs/dbraw/zinc/14/02/02/637140202.db2.gz ZHCJILWDFARZEG-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](NC(=O)c1csc2ccccc12)[C@H](C)O ZINC000346476308 637153729 /nfs/dbraw/zinc/15/37/29/637153729.db2.gz SNUBLPQAFXNOKQ-BDAKNGLRSA-N 0 0 249.335 2.400 10 0 BEAERN C=CC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000036334167 711458169 /nfs/dbraw/zinc/45/81/69/711458169.db2.gz CGKMSXWEQLIFMS-UHFFFAOYSA-N 0 0 234.280 2.429 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCO)C1 ZINC000149647121 639037404 /nfs/dbraw/zinc/03/74/04/639037404.db2.gz MCKPDOKMSMTHGK-NXEZZACHSA-N 0 0 229.320 2.062 10 0 BEAERN C[C@@H](O)c1cccc(OCc2ccno2)c1 ZINC000035627714 639765123 /nfs/dbraw/zinc/76/51/23/639765123.db2.gz QUCLVSPQRUZTFD-SECBINFHSA-N 0 0 219.240 2.307 10 0 BEAERN COC(=O)CCCOc1cccc([C@H](C)O)c1 ZINC000035627510 639765141 /nfs/dbraw/zinc/76/51/41/639765141.db2.gz HXIAUTNJSDNHLA-JTQLQIEISA-N 0 0 238.283 2.072 10 0 BEAERN CC(C)c1nc(-c2ccccc2N)n(C)n1 ZINC000054697847 640306024 /nfs/dbraw/zinc/30/60/24/640306024.db2.gz LYMAGDPEWMENBV-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN Cc1ccc([C@H](C)NCc2cncnc2)o1 ZINC000054767410 640409208 /nfs/dbraw/zinc/40/92/08/640409208.db2.gz XFULIZDILVSORG-JTQLQIEISA-N 0 0 217.272 2.229 10 0 BEAERN CCc1ccc([C@@H](C)NC(=O)NOC)cc1 ZINC000045037462 640498266 /nfs/dbraw/zinc/49/82/66/640498266.db2.gz KZJYLYBLVOILGA-SECBINFHSA-N 0 0 222.288 2.171 10 0 BEAERN C[C@H]1CN(c2cncc3cccnc32)C[C@H](C)O1 ZINC000223139184 640537871 /nfs/dbraw/zinc/53/78/71/640537871.db2.gz AWIOCEADUSBFJG-QWRGUYRKSA-N 0 0 243.310 2.243 10 0 BEAERN CC1(C)CC[C@@H](Cn2cc(Cl)c(N)n2)O1 ZINC000166168172 640619793 /nfs/dbraw/zinc/61/97/93/640619793.db2.gz IPOVSPNOZPSIHV-ZETCQYMHSA-N 0 0 229.711 2.076 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)n2ccnc2)[C@@H](C)C1 ZINC000226198153 640741478 /nfs/dbraw/zinc/74/14/78/640741478.db2.gz PFEPVCODFNKKAU-VWYCJHECSA-N 0 0 221.304 2.266 10 0 BEAERN CC(=O)COC(=O)c1sc(C(C)C)nc1C ZINC000058815095 640745019 /nfs/dbraw/zinc/74/50/19/640745019.db2.gz NJLCXKJFOFPVMQ-UHFFFAOYSA-N 0 0 241.312 2.321 10 0 BEAERN OCCOCc1ccc(C(F)(F)F)cc1 ZINC000038997566 640770921 /nfs/dbraw/zinc/77/09/21/640770921.db2.gz YPUMSOBDUFUIAL-UHFFFAOYSA-N 0 0 220.190 2.214 10 0 BEAERN CC(C)n1cnc(-c2cccc(N)c2)n1 ZINC000168127725 640786296 /nfs/dbraw/zinc/78/62/96/640786296.db2.gz XKUUZHQTZJDJHW-UHFFFAOYSA-N 0 0 202.261 2.108 10 0 BEAERN c1ccc(CN[C@H]2CCc3cccnc32)nc1 ZINC000226799798 640796799 /nfs/dbraw/zinc/79/67/99/640796799.db2.gz USGMZLIXKZBZEP-ZDUSSCGKSA-N 0 0 225.295 2.254 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(N)c(C)c1 ZINC000227211693 640820658 /nfs/dbraw/zinc/82/06/58/640820658.db2.gz RZLLBUQRMSPKHU-GXFFZTMASA-N 0 0 232.327 2.496 10 0 BEAERN CN1CCC[C@H]1C(=O)c1c[nH]c2ccccc12 ZINC000199620619 640867607 /nfs/dbraw/zinc/86/76/07/640867607.db2.gz UVIBGQDCRGRJQC-ZDUSSCGKSA-N 0 0 228.295 2.445 10 0 BEAERN CC(=O)c1ccnc(-n2cnc(C)c2C)c1 ZINC000087400544 640884130 /nfs/dbraw/zinc/88/41/30/640884130.db2.gz YSYPAMFIMXMLRV-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN CC(=O)COC(=O)/C=C/c1ccccc1Cl ZINC000060757847 640886902 /nfs/dbraw/zinc/88/69/02/640886902.db2.gz BHZCQZMOHCFLDB-VOTSOKGWSA-N 0 0 238.670 2.485 10 0 BEAERN O=C(Nc1ccnn1C1CCCC1)C1CC1 ZINC000060953794 640905035 /nfs/dbraw/zinc/90/50/35/640905035.db2.gz HAKUOWZAMIFTFA-UHFFFAOYSA-N 0 0 219.288 2.347 10 0 BEAERN CCN(Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000060979601 640906290 /nfs/dbraw/zinc/90/62/90/640906290.db2.gz OGUYUBPXRZJPJA-UHFFFAOYSA-N 0 0 242.326 2.252 10 0 BEAERN COC(=O)Nc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000171054253 640952701 /nfs/dbraw/zinc/95/27/01/640952701.db2.gz ULHAKIRMQBHLPE-KCJUWKMLSA-N 0 0 248.282 2.003 10 0 BEAERN O=Cc1ccc(N2CC[C@@H](C(F)F)C2)o1 ZINC000675064180 640961056 /nfs/dbraw/zinc/96/10/56/640961056.db2.gz WYHIMNGAUZADEM-SSDOTTSWSA-N 0 0 215.199 2.184 10 0 BEAERN C[C@@H]1Cc2c(c[nH+]c(N)c2C(=O)[O-])[C@@H](C)C1 ZINC000675064169 640961254 /nfs/dbraw/zinc/96/12/54/640961254.db2.gz WVDSWSMQAIGCMC-BQBZGAKWSA-N 0 0 220.272 2.048 10 0 BEAERN CCCCCC[C@H](C)OC(=O)[C@H]1CNC(=O)C1 ZINC000171491237 640981666 /nfs/dbraw/zinc/98/16/66/640981666.db2.gz CQGMMQAIWNCYQJ-WDEREUQCSA-N 0 0 241.331 2.025 10 0 BEAERN C[C@H]1CN(Cn2cccnc2=S)CCS1 ZINC000171605757 640995084 /nfs/dbraw/zinc/99/50/84/640995084.db2.gz GNDLBDNOXVSJIS-VIFPVBQESA-N 0 0 241.385 2.007 10 0 BEAERN Cc1c[nH]nc1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230058118 641013500 /nfs/dbraw/zinc/01/35/00/641013500.db2.gz TYQBRTNXRGNBKQ-IONNQARKSA-N 0 0 207.277 2.093 10 0 BEAERN COC1CC(Nc2ncccc2Cl)C1 ZINC000230594035 641069763 /nfs/dbraw/zinc/06/97/63/641069763.db2.gz QZXAVTUKJUOOEK-UHFFFAOYSA-N 0 0 212.680 2.324 10 0 BEAERN COC1CC(Nc2ccc(Cl)cn2)C1 ZINC000230599142 641070788 /nfs/dbraw/zinc/07/07/88/641070788.db2.gz XXCJJTIWNMVAFM-UHFFFAOYSA-N 0 0 212.680 2.324 10 0 BEAERN C#CCCCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000062699812 641075606 /nfs/dbraw/zinc/07/56/06/641075606.db2.gz CBQOHSZUSUITMI-UHFFFAOYSA-N 0 0 247.250 2.094 10 0 BEAERN Cc1ccc(C)c([C@H](O)c2cn[nH]c2)c1 ZINC000062778500 641089697 /nfs/dbraw/zinc/08/96/97/641089697.db2.gz GPVSLSNTCJRBPT-GFCCVEGCSA-N 0 0 202.257 2.108 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=S)NCC(C)C ZINC000231647930 641190642 /nfs/dbraw/zinc/19/06/42/641190642.db2.gz BQTBZJJMMZFJAU-UWVGGRQHSA-N 0 0 214.378 2.295 10 0 BEAERN CCCCNC(=S)N[C@@H]1C[C@@H]1CCC ZINC000231647971 641191776 /nfs/dbraw/zinc/19/17/76/641191776.db2.gz DLMIOPMJAFLWFW-VHSXEESVSA-N 0 0 214.378 2.439 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)N1CCCCC1 ZINC000231694464 641194227 /nfs/dbraw/zinc/19/42/27/641194227.db2.gz SEZFKZVMGCHAEF-WDEREUQCSA-N 0 0 210.321 2.371 10 0 BEAERN COCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000062226475 641196712 /nfs/dbraw/zinc/19/67/12/641196712.db2.gz OCEBWNWTLWJDBA-UONOGXRCSA-N 0 0 247.338 2.333 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(F)cc1N ZINC000062822288 641202151 /nfs/dbraw/zinc/20/21/51/641202151.db2.gz LTQQFDSVYBSPKK-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN COCCOC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000174019437 641228829 /nfs/dbraw/zinc/22/88/29/641228829.db2.gz DRMLLGYMZYBFHO-NEPJUHHUSA-N 0 0 226.316 2.392 10 0 BEAERN CSCCCC(=O)O[C@@H](C)C1CCOCC1 ZINC000151501111 641234821 /nfs/dbraw/zinc/23/48/21/641234821.db2.gz VOJWPRMBSWGYDV-JTQLQIEISA-N 0 0 246.372 2.488 10 0 BEAERN Cc1oc(C[NH2+][C@H](C)C(C)C)cc1C(=O)[O-] ZINC000232423121 641275087 /nfs/dbraw/zinc/27/50/87/641275087.db2.gz XOOBIUJZPUYQEO-MRVPVSSYSA-N 0 0 225.288 2.420 10 0 BEAERN CC(=O)c1cccnc1-n1cc(Cl)cn1 ZINC000232581154 641306759 /nfs/dbraw/zinc/30/67/59/641306759.db2.gz HQSNXTHYBGYKOW-UHFFFAOYSA-N 0 0 221.647 2.123 10 0 BEAERN C[C@H](OC(=O)c1ccco1)C1CCOCC1 ZINC000151576356 641421051 /nfs/dbraw/zinc/42/10/51/641421051.db2.gz ZTSQABPPALITIE-VIFPVBQESA-N 0 0 224.256 2.252 10 0 BEAERN CC(C)C(=O)O[C@H](C)C1CCOCC1 ZINC000151603635 641430647 /nfs/dbraw/zinc/43/06/47/641430647.db2.gz BGYVPIVEOMZQME-SECBINFHSA-N 0 0 200.278 2.001 10 0 BEAERN Cc1ccc(C(=O)N(C)C)cc1OC(=O)C(C)C ZINC000130203687 641556914 /nfs/dbraw/zinc/55/69/14/641556914.db2.gz IQVJLLXJECUAIX-UHFFFAOYSA-N 0 0 249.310 2.258 10 0 BEAERN COc1cccc(OCC[C@@H](O)C(C)C)c1 ZINC000032014820 641710797 /nfs/dbraw/zinc/71/07/97/641710797.db2.gz OUHQLIARUFDENN-CYBMUJFWSA-N 0 0 224.300 2.481 10 0 BEAERN COc1cccc(OCC[C@H](O)C(C)C)c1 ZINC000032014821 641711288 /nfs/dbraw/zinc/71/12/88/641711288.db2.gz OUHQLIARUFDENN-ZDUSSCGKSA-N 0 0 224.300 2.481 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CSC(C)(C)C ZINC000075530818 641760833 /nfs/dbraw/zinc/76/08/33/641760833.db2.gz JZGRFYJFWJXUCJ-JGVFFNPUSA-N 0 0 201.335 2.043 10 0 BEAERN CCN(C(=O)[C@H]1CCCO[C@H]1C)C(C)C ZINC000189148989 641791737 /nfs/dbraw/zinc/79/17/37/641791737.db2.gz NNEJQBJFURBPPR-QWRGUYRKSA-N 0 0 213.321 2.058 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccc(F)cc1 ZINC000190130341 641843439 /nfs/dbraw/zinc/84/34/39/641843439.db2.gz MWZYGNWGKQXBMA-VIFPVBQESA-N 0 0 226.247 2.408 10 0 BEAERN CON(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000190129111 641843927 /nfs/dbraw/zinc/84/39/27/641843927.db2.gz NBYIMWDOJXWLQI-VIFPVBQESA-N 0 0 240.278 2.398 10 0 BEAERN CCC(=O)CCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000190264002 641854884 /nfs/dbraw/zinc/85/48/84/641854884.db2.gz URQIKCUCTZKEPD-JTQLQIEISA-N 0 0 243.347 2.018 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000190771019 641885532 /nfs/dbraw/zinc/88/55/32/641885532.db2.gz FEYHNIGJGRNAAO-GDPRMGEGSA-N 0 0 212.289 2.001 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H]1CC1(Cl)Cl ZINC000190785915 641886523 /nfs/dbraw/zinc/88/65/23/641886523.db2.gz WFRDTVOFGHUJNE-NKWVEPMBSA-N 0 0 241.114 2.148 10 0 BEAERN CCSCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192105534 641962328 /nfs/dbraw/zinc/96/23/28/641962328.db2.gz UGSRUQBQXKHHBG-VHSXEESVSA-N 0 0 232.345 2.098 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OC1CCCC1 ZINC000192107182 641963044 /nfs/dbraw/zinc/96/30/44/641963044.db2.gz RKBUKEXKFUNMTP-KOLCDFICSA-N 0 0 212.289 2.287 10 0 BEAERN CCC(CC)CNC(=O)[C@@H]1CCO[C@@H]1CC ZINC000232874515 642019634 /nfs/dbraw/zinc/01/96/34/642019634.db2.gz NKUBXHHEOZBPNN-VXGBXAGGSA-N 0 0 227.348 2.354 10 0 BEAERN CC1(CNc2cc(C3CC3)ccn2)COC1 ZINC000289919917 642361735 /nfs/dbraw/zinc/36/17/35/642361735.db2.gz VIYLXQZCLCWZDV-UHFFFAOYSA-N 0 0 218.300 2.407 10 0 BEAERN CCCCCn1cc(N)cc1C(=O)OC ZINC000041043858 642509804 /nfs/dbraw/zinc/50/98/04/642509804.db2.gz RBMCWEAJILGWSN-UHFFFAOYSA-N 0 0 210.277 2.047 10 0 BEAERN C[C@@H]1CN(C(=O)/C=C/C2CCCC2)C[C@@H](C)O1 ZINC000253463585 642650329 /nfs/dbraw/zinc/65/03/29/642650329.db2.gz PHVAGRFYOJRZQB-IDDPWSFUSA-N 0 0 237.343 2.369 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C=O)[nH]2)o1 ZINC000175143702 642655772 /nfs/dbraw/zinc/65/57/72/642655772.db2.gz NFYKDBYUDKQQDR-SECBINFHSA-N 0 0 246.266 2.220 10 0 BEAERN CCC[C@H](C)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175226014 642663433 /nfs/dbraw/zinc/66/34/33/642663433.db2.gz ACOKFFDFMWVTHW-GARJFASQSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)CCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175244172 642666060 /nfs/dbraw/zinc/66/60/60/642666060.db2.gz FVQQEUIXMDBFFW-QWRGUYRKSA-N 0 0 214.305 2.391 10 0 BEAERN CSCCCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175269248 642666939 /nfs/dbraw/zinc/66/69/39/642666939.db2.gz GTBZOEAQXUUBEO-MNOVXSKESA-N 0 0 246.372 2.488 10 0 BEAERN C[C@H](OC(=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000175277432 642667477 /nfs/dbraw/zinc/66/74/77/642667477.db2.gz UHVXWNDPNGDYKV-ONGXEEELSA-N 0 0 238.258 2.408 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cncc(Cl)n1 ZINC000233391011 642667498 /nfs/dbraw/zinc/66/74/98/642667498.db2.gz HZXXOCMTVJZNNI-JGVFFNPUSA-N 0 0 239.706 2.048 10 0 BEAERN Cc1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)c(C)o1 ZINC000175287217 642669498 /nfs/dbraw/zinc/66/94/98/642669498.db2.gz CFPDQGAAHAJWEM-GXSJLCMTSA-N 0 0 238.283 2.478 10 0 BEAERN C[C@H](OC(=O)CCC(F)(F)F)[C@@H]1CCOC1 ZINC000175284057 642670762 /nfs/dbraw/zinc/67/07/62/642670762.db2.gz LNWWJCIGPWJUNC-JGVFFNPUSA-N 0 0 240.221 2.297 10 0 BEAERN CCCCO[C@H](C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175292635 642672579 /nfs/dbraw/zinc/67/25/79/642672579.db2.gz ULBJQJRVCZCDJM-IJLUTSLNSA-N 0 0 244.331 2.160 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000233949333 642712268 /nfs/dbraw/zinc/71/22/68/642712268.db2.gz HFCVBOVHLAKJDV-RYUDHWBXSA-N 0 0 235.283 2.146 10 0 BEAERN Cc1cccnc1COC(=O)[C@@H]1CC[C@H](C)O1 ZINC000180352154 642786651 /nfs/dbraw/zinc/78/66/51/642786651.db2.gz SAVCNVAISFDEGA-JQWIXIFHSA-N 0 0 235.283 2.001 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc2ccccc2c1 ZINC000069272046 642844817 /nfs/dbraw/zinc/84/48/17/642844817.db2.gz FXFJYUXPFQIPNN-KBPBESRZSA-N 0 0 241.290 2.227 10 0 BEAERN CC(C)OCCCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000181575563 642884114 /nfs/dbraw/zinc/88/41/14/642884114.db2.gz IJFXCGHGWXNBRO-RYUDHWBXSA-N 0 0 244.331 2.160 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)n2ccnc2)[C@H](C)C1 ZINC000069677342 642894241 /nfs/dbraw/zinc/89/42/41/642894241.db2.gz PFEPVCODFNKKAU-MXWKQRLJSA-N 0 0 221.304 2.266 10 0 BEAERN C[C@@H](N[C@@H]1COc2ccccc21)c1cnccn1 ZINC000070528363 643035080 /nfs/dbraw/zinc/03/50/80/643035080.db2.gz KAMWKGLMKYESQT-ZWNOBZJWSA-N 0 0 241.294 2.261 10 0 BEAERN COCCN(C/C=C/Cl)C/C=C/Cl ZINC000119333880 643057514 /nfs/dbraw/zinc/05/75/14/643057514.db2.gz WBAMPXLGOZCMHI-ZUVMSYQZSA-N 0 0 224.131 2.440 10 0 BEAERN COC[C@H](C)C(=O)OCC1(C#N)CCCCC1 ZINC000183682081 643154017 /nfs/dbraw/zinc/15/40/17/643154017.db2.gz DWIYARGCPCZWFP-NSHDSACASA-N 0 0 239.315 2.286 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCC2(C#N)CCCC2)O1 ZINC000183875392 643175489 /nfs/dbraw/zinc/17/54/89/643175489.db2.gz QLKYAWHETZHKCG-QWRGUYRKSA-N 0 0 237.299 2.181 10 0 BEAERN C[C@@H](O)c1cccc(OC[C@@H]2CCOC2)c1 ZINC000049689129 643184279 /nfs/dbraw/zinc/18/42/79/643184279.db2.gz UIJWJSUWOWFAKN-GHMZBOCLSA-N 0 0 222.284 2.155 10 0 BEAERN COC[C@H](C)C(=O)OCCCCCSC ZINC000184511292 643215251 /nfs/dbraw/zinc/21/52/51/643215251.db2.gz YJZPGPJQGAKUPF-JTQLQIEISA-N 0 0 234.361 2.345 10 0 BEAERN CC[C@H](C)C(=O)c1ncc(C2OCCO2)s1 ZINC000757122019 643239748 /nfs/dbraw/zinc/23/97/48/643239748.db2.gz DIYKIHSRXWTYHM-ZETCQYMHSA-N 0 0 241.312 2.417 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)CCOC(C)C)C1 ZINC000120624246 643240914 /nfs/dbraw/zinc/24/09/14/643240914.db2.gz RBTJDBFXCILWAP-VXGBXAGGSA-N 0 0 244.331 2.302 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@@H]1CC[C@H](C)O1 ZINC000185359762 643300813 /nfs/dbraw/zinc/30/08/13/643300813.db2.gz CKCMWXRRRLLYLD-QWRGUYRKSA-N 0 0 224.300 2.147 10 0 BEAERN Cc1nn([C@H](C)C(F)(F)F)cc1C=O ZINC000757196741 643367436 /nfs/dbraw/zinc/36/74/36/643367436.db2.gz XBESPCQKGRQFOT-ZCFIWIBFSA-N 0 0 206.167 2.127 10 0 BEAERN C[C@H]1C[C@H]1C(=O)OCC(C)(C)Br ZINC000757211034 643370677 /nfs/dbraw/zinc/37/06/77/643370677.db2.gz NCIGNRWSLFWWOQ-NKWVEPMBSA-N 0 0 235.121 2.359 10 0 BEAERN CC[C@@H]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000082847980 643386133 /nfs/dbraw/zinc/38/61/33/643386133.db2.gz BXZFWMRQEILTQS-MNOVXSKESA-N 0 0 221.304 2.410 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1cscc1C(F)F ZINC000720236607 643387784 /nfs/dbraw/zinc/38/77/84/643387784.db2.gz SBHLVDAUANWGIR-QMMMGPOBSA-N 0 0 230.239 2.491 10 0 BEAERN CC(C)C1CCC2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000068949834 643437257 /nfs/dbraw/zinc/43/72/57/643437257.db2.gz GFJUXHCMCZWPET-AKJDGMEZSA-N 0 0 225.332 2.123 10 0 BEAERN C[C@H]1CCn2cc(C(F)(F)F)nc2N1 ZINC000235642507 643450145 /nfs/dbraw/zinc/45/01/45/643450145.db2.gz RCHAAZNZLKGZDI-YFKPBYRVSA-N 0 0 205.183 2.106 10 0 BEAERN CC(Cl)(Cl)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000307535781 643496563 /nfs/dbraw/zinc/49/65/63/643496563.db2.gz NSEKPFFNTKDXOY-RNFRBKRXSA-N 0 0 222.115 2.191 10 0 BEAERN COc1ccc(N)cc1C(=O)OCCC(C)C ZINC000042289917 643507218 /nfs/dbraw/zinc/50/72/18/643507218.db2.gz QYNVWTJKQDVKFQ-UHFFFAOYSA-N 0 0 237.299 2.480 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1c1nc(Cl)cs1 ZINC000307618876 643539870 /nfs/dbraw/zinc/53/98/70/643539870.db2.gz VBGNHGOEAGNCPH-RQJHMYQMSA-N 0 0 232.736 2.146 10 0 BEAERN Cc1c(Cl)cccc1C(=O)N[C@H](C)[C@H](C)O ZINC000346384387 643557442 /nfs/dbraw/zinc/55/74/42/643557442.db2.gz FAUHOLAKGPALOP-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1cccc2ccsc21 ZINC000346453318 643570328 /nfs/dbraw/zinc/57/03/28/643570328.db2.gz KJWFTKNLYYXILY-RKDXNWHRSA-N 0 0 249.335 2.400 10 0 BEAERN Cc1ccc(C(=O)NC(C)C)c(Cl)n1 ZINC000047267866 643580642 /nfs/dbraw/zinc/58/06/42/643580642.db2.gz LFLQUKJQWZPNNE-UHFFFAOYSA-N 0 0 212.680 2.182 10 0 BEAERN Cc1oc(C)c(-c2cc(N)n(C)n2)c1C ZINC000083521080 643582127 /nfs/dbraw/zinc/58/21/27/643582127.db2.gz NHONHGXJLWXPNW-UHFFFAOYSA-N 0 0 205.261 2.188 10 0 BEAERN FC(F)(F)c1nc2n(n1)[C@H]1CCC[C@H]1CN2 ZINC000236115980 643593070 /nfs/dbraw/zinc/59/30/70/643593070.db2.gz YKEJUWCCRISHOT-WDSKDSINSA-N 0 0 232.209 2.064 10 0 BEAERN C[C@@H](CO)CSC[C@H](O)c1ccccc1 ZINC000085138506 643603009 /nfs/dbraw/zinc/60/30/09/643603009.db2.gz VLTZWQKPTWXEPV-JQWIXIFHSA-N 0 0 226.341 2.082 10 0 BEAERN C[C@@](C[NH3+])(CC(=O)[O-])c1cccc(Cl)c1 ZINC000085114035 643685244 /nfs/dbraw/zinc/68/52/44/643685244.db2.gz RVHPJRDSLBWFMB-NSHDSACASA-N 0 0 227.691 2.031 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cc(C)ccn1 ZINC000050374512 643690890 /nfs/dbraw/zinc/69/08/90/643690890.db2.gz PEJKTIRQJRIIJH-MNOVXSKESA-N 0 0 206.289 2.369 10 0 BEAERN O=C(/C=C/c1ccco1)NCc1cscn1 ZINC000050408044 643699300 /nfs/dbraw/zinc/69/93/00/643699300.db2.gz KUVGOHGXBRDEPO-ONEGZZNKSA-N 0 0 234.280 2.066 10 0 BEAERN C#CCOC(=O)c1sc(C(C)C)nc1C ZINC000058813975 643719567 /nfs/dbraw/zinc/71/95/67/643719567.db2.gz NHJHXWFBQKFWTO-UHFFFAOYSA-N 0 0 223.297 2.365 10 0 BEAERN O=[N+]([O-])c1ccc2nc(C3CC3)cn2c1 ZINC000059613139 643721486 /nfs/dbraw/zinc/72/14/86/643721486.db2.gz RUSVBMFRLWBQLP-UHFFFAOYSA-N 0 0 203.201 2.120 10 0 BEAERN C=C(C)CCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192239762 644139429 /nfs/dbraw/zinc/13/94/29/644139429.db2.gz GFMLMDPKKRMIKD-GHMZBOCLSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CCCO[C@H]1C)C(F)(F)F ZINC000192240320 644139477 /nfs/dbraw/zinc/13/94/77/644139477.db2.gz GAJMDWAZNZNWBJ-BIIVOSGPSA-N 0 0 240.221 2.296 10 0 BEAERN CC(=O)CCCC(=O)O[C@@H](C)C1CCOCC1 ZINC000192434535 644152704 /nfs/dbraw/zinc/15/27/04/644152704.db2.gz XZLUOMJXAWKGAH-NSHDSACASA-N 0 0 242.315 2.104 10 0 BEAERN COCc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000192578818 644166911 /nfs/dbraw/zinc/16/69/11/644166911.db2.gz XLGWFBOUDGGVNS-JOYOIKCWSA-N 0 0 234.299 2.363 10 0 BEAERN CC(C)c1ccc(-c2cnc(N)nn2)cc1 ZINC000074117088 644199263 /nfs/dbraw/zinc/19/92/63/644199263.db2.gz YUAWRPFVSPUIAJ-UHFFFAOYSA-N 0 0 214.272 2.244 10 0 BEAERN Cc1cc(COC(=O)[C@@H]2CC[C@H](C)O2)ns1 ZINC000193511120 644248421 /nfs/dbraw/zinc/24/84/21/644248421.db2.gz VZNJCHUSSADGJA-XVKPBYJWSA-N 0 0 241.312 2.062 10 0 BEAERN Cc1cc(COC(=O)[C@H]2CC[C@H](C)O2)ns1 ZINC000193511132 644249629 /nfs/dbraw/zinc/24/96/29/644249629.db2.gz VZNJCHUSSADGJA-OIBJUYFYSA-N 0 0 241.312 2.062 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@H](c2ccsc2)[NH2+]1 ZINC000074148777 644271554 /nfs/dbraw/zinc/27/15/54/644271554.db2.gz JTRDXEBZXWJYCG-BDAKNGLRSA-N 0 0 211.286 2.016 10 0 BEAERN CCOCC(=O)O[C@H](C)c1cccs1 ZINC000194562360 644329513 /nfs/dbraw/zinc/32/95/13/644329513.db2.gz MPTRRPPTKWXPSF-MRVPVSSYSA-N 0 0 214.286 2.389 10 0 BEAERN CCN(C(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000195197861 644365820 /nfs/dbraw/zinc/36/58/20/644365820.db2.gz NQMGMBRCAQUKLX-LBPRGKRZSA-N 0 0 246.310 2.314 10 0 BEAERN CCC1CCC(NC(=O)C[C@H](C)OC)CC1 ZINC000195362353 644383530 /nfs/dbraw/zinc/38/35/30/644383530.db2.gz AJPFYKZLYIHCJQ-UNXYVOJBSA-N 0 0 227.348 2.496 10 0 BEAERN O=Cc1ccc(-c2ccccc2CO)o1 ZINC000196873988 644425873 /nfs/dbraw/zinc/42/58/73/644425873.db2.gz TYSUPNXDBFOMTC-UHFFFAOYSA-N 0 0 202.209 2.251 10 0 BEAERN c1ccc2c(c1)NCCCN2C[C@H]1CCCO1 ZINC000085403318 644440500 /nfs/dbraw/zinc/44/05/00/644440500.db2.gz TWWJJFCSSCOEAK-GFCCVEGCSA-N 0 0 232.327 2.488 10 0 BEAERN Cc1ccc(-c2cc(N)n(C)n2)c(F)c1 ZINC000087331730 644488080 /nfs/dbraw/zinc/48/80/80/644488080.db2.gz FGCPEBAATNBWHZ-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN COC(=O)[C@H]1COc2cc(C)c(Cl)cc21 ZINC000685951878 644518747 /nfs/dbraw/zinc/51/87/47/644518747.db2.gz KIKJUIQQSCADRZ-QMMMGPOBSA-N 0 0 226.659 2.297 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093280940 644684813 /nfs/dbraw/zinc/68/48/13/644684813.db2.gz NAKCJWLOVJFFCY-WCBMZHEXSA-N 0 0 236.319 2.168 10 0 BEAERN CN[C@H](C)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000300867828 644706887 /nfs/dbraw/zinc/70/68/87/644706887.db2.gz JPUMKYBAJAWFNU-RNFRBKRXSA-N 0 0 231.246 2.253 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)[C@@H]1C[C@H]1C ZINC000103708334 644860438 /nfs/dbraw/zinc/86/04/38/644860438.db2.gz LMTHSRWUMHKUFC-NXEZZACHSA-N 0 0 248.278 2.343 10 0 BEAERN CCC[C@@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757123161 644864067 /nfs/dbraw/zinc/86/40/67/644864067.db2.gz AMFCZKHUSTWDIY-SSDOTTSWSA-N 0 0 229.301 2.072 10 0 BEAERN COc1ccccc1C12CC(C1)CC2=O ZINC000757539972 644870188 /nfs/dbraw/zinc/87/01/88/644870188.db2.gz AILHNIRJSHMUKQ-UHFFFAOYSA-N 0 0 202.253 2.316 10 0 BEAERN CCCOC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000304537885 644916163 /nfs/dbraw/zinc/91/61/63/644916163.db2.gz IEYYOABHPOXDOC-GHMZBOCLSA-N 0 0 227.304 2.176 10 0 BEAERN COCc1csc(NC(=O)C=C(C)C)n1 ZINC000115241058 645580735 /nfs/dbraw/zinc/58/07/35/645580735.db2.gz CNFXXNUOELONHC-UHFFFAOYSA-N 0 0 226.301 2.194 10 0 BEAERN CC(=O)[C@H](OC(=O)c1ccccc1O)C(C)C ZINC000115327812 645622088 /nfs/dbraw/zinc/62/20/88/645622088.db2.gz UNUFIPRBBZKAKW-GFCCVEGCSA-N 0 0 236.267 2.163 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccc2ccccc2n1 ZINC000223728932 645902347 /nfs/dbraw/zinc/90/23/47/645902347.db2.gz KBMKBUVDDDUWIF-NXEZZACHSA-N 0 0 216.284 2.416 10 0 BEAERN CC(C)CCN(c1ncc(C=O)cn1)C1CC1 ZINC000126301623 645929658 /nfs/dbraw/zinc/92/96/58/645929658.db2.gz QAUUKOFMONTIBA-UHFFFAOYSA-N 0 0 233.315 2.304 10 0 BEAERN FC(F)(F)CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723644043 711529274 /nfs/dbraw/zinc/52/92/74/711529274.db2.gz NUSHROBGCGSWEB-KXUCPTDWSA-N 0 0 237.265 2.344 10 0 BEAERN CCNC(=S)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000135955330 711670438 /nfs/dbraw/zinc/67/04/38/711670438.db2.gz CNUQQQVZPRUHAI-ZJUUUORDSA-N 0 0 214.378 2.391 10 0 BEAERN CC(C)c1cnc(CN2CC[C@@H](CCO)C2)o1 ZINC000702432384 712052965 /nfs/dbraw/zinc/05/29/65/712052965.db2.gz MHQNGYOMNCMEEO-NSHDSACASA-N 0 0 238.331 2.002 10 0 BEAERN CCC[C@H](CNC(=O)OC(C)C)OCC ZINC000705300135 712127587 /nfs/dbraw/zinc/12/75/87/712127587.db2.gz VTIPUSQSSRZZGA-SNVBAGLBSA-N 0 0 217.309 2.326 10 0 BEAERN CC(C)CNC(=S)N1C[C@@H]2CCC[C@@H]21 ZINC000706848518 712157184 /nfs/dbraw/zinc/15/71/84/712157184.db2.gz NDTHSYUATLAJCM-UWVGGRQHSA-N 0 0 212.362 2.001 10 0 BEAERN CSC1CC(NC(=O)N2CCCCC2)C1 ZINC000707235671 712167269 /nfs/dbraw/zinc/16/72/69/712167269.db2.gz XROFEJABZULFJN-UHFFFAOYSA-N 0 0 228.361 2.076 10 0 BEAERN CC[C@H](C[C@H](C)O)NC(=O)[C@H]1CCC[C@H]1C ZINC000716799294 712574506 /nfs/dbraw/zinc/57/45/06/712574506.db2.gz YFUQJGUVRAPIGL-KXNHARMFSA-N 0 0 227.348 2.088 10 0 BEAERN COC(=O)[C@@H]1CCCCN1CCCC(C)(F)F ZINC000718578786 712775493 /nfs/dbraw/zinc/77/54/93/712775493.db2.gz YQJYINRMPUIXQG-JTQLQIEISA-N 0 0 249.301 2.449 10 0 BEAERN C[C@@H]1C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724357737 710739647 /nfs/dbraw/zinc/73/96/47/710739647.db2.gz LLXQGFWJFJZWOJ-BDAKNGLRSA-N 0 0 208.305 2.470 10 0 BEAERN CCO[C@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000133061556 710968074 /nfs/dbraw/zinc/96/80/74/710968074.db2.gz UQTIDHXZBAVXGB-LBPRGKRZSA-N 0 0 240.347 2.093 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000722043526 712902226 /nfs/dbraw/zinc/90/22/26/712902226.db2.gz GQVAASFQTSVNOA-CHWSQXEVSA-N 0 0 235.327 2.170 10 0 BEAERN OCC[C@H]1CCN(Cc2scnc2Cl)C1 ZINC000721927262 710693054 /nfs/dbraw/zinc/69/30/54/710693054.db2.gz AYHMDHPENPYJGD-MRVPVSSYSA-N 0 0 246.763 2.001 10 0 BEAERN CC(C)NC(=S)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000724467780 710740570 /nfs/dbraw/zinc/74/05/70/710740570.db2.gz VUCDSBXNGCQAMQ-UWVGGRQHSA-N 0 0 244.404 2.063 10 0 BEAERN C[C@@H](OC(=O)CC1CCC1)[C@H]1CCOC1 ZINC000175274024 711448721 /nfs/dbraw/zinc/44/87/21/711448721.db2.gz FXPCBAWITFOPKG-KOLCDFICSA-N 0 0 212.289 2.145 10 0 BEAERN CC(C)C[C@@H](N)c1nc(CC2CCC2)no1 ZINC000304552688 711454526 /nfs/dbraw/zinc/45/45/26/711454526.db2.gz FTCMOAPRTWCELK-SNVBAGLBSA-N 0 0 223.320 2.458 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)NCc1ccccc1 ZINC000306707492 711460685 /nfs/dbraw/zinc/46/06/85/711460685.db2.gz MUOUDYMWKZTYGI-CHWSQXEVSA-N 0 0 233.311 2.118 10 0 BEAERN Cc1cc(C(=O)OC[C@H]2CC=CCC2)n(C)n1 ZINC000126540519 711514600 /nfs/dbraw/zinc/51/46/00/711514600.db2.gz HMMZYEDJVSVHDR-NSHDSACASA-N 0 0 234.299 2.242 10 0 BEAERN Cc1cn(C)nc1COc1cccc([C@H](C)O)c1 ZINC000723971433 711549567 /nfs/dbraw/zinc/54/95/67/711549567.db2.gz QDNSWWCQCZIPAA-NSHDSACASA-N 0 0 246.310 2.361 10 0 BEAERN Cc1cnc(CN[C@@H](C)c2cnn(C)c2)c(C)c1 ZINC000724055232 711558436 /nfs/dbraw/zinc/55/84/36/711558436.db2.gz CNSXXQGLGNHMBF-LBPRGKRZSA-N 0 0 244.342 2.283 10 0 BEAERN Cc1cnc(CN[C@@H](C)c2cn(C)cn2)c(C)c1 ZINC000724070590 711558638 /nfs/dbraw/zinc/55/86/38/711558638.db2.gz MLJLANRYLIESIZ-LBPRGKRZSA-N 0 0 244.342 2.283 10 0 BEAERN C[C@@H]1CC(CNc2nccnc2F)C[C@@H](C)O1 ZINC000724476862 711582695 /nfs/dbraw/zinc/58/26/95/711582695.db2.gz OZSOAJCIMHWQCD-RKDXNWHRSA-N 0 0 239.294 2.231 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1cc(C(F)F)ncn1 ZINC000724646778 711604805 /nfs/dbraw/zinc/60/48/05/711604805.db2.gz HRWZTCFFWPANDW-APPZFPTMSA-N 0 0 243.257 2.130 10 0 BEAERN CCNC(=S)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000135955293 711670366 /nfs/dbraw/zinc/67/03/66/711670366.db2.gz CNUQQQVZPRUHAI-NXEZZACHSA-N 0 0 214.378 2.391 10 0 BEAERN CC(C)CCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192106897 711708081 /nfs/dbraw/zinc/70/80/81/711708081.db2.gz ZIROCXKGRQVBMZ-MNOVXSKESA-N 0 0 214.305 2.391 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCC1CCC1 ZINC000192109095 711708097 /nfs/dbraw/zinc/70/80/97/711708097.db2.gz QLZFYGIUBIOGDJ-KOLCDFICSA-N 0 0 212.289 2.145 10 0 BEAERN Cc1cc(=O)[nH]c(CN[C@@H](C)c2cccs2)n1 ZINC000700469986 711994072 /nfs/dbraw/zinc/99/40/72/711994072.db2.gz VRJRIOUINNXOHL-VIFPVBQESA-N 0 0 249.339 2.403 10 0 BEAERN Cc1ccc([C@@H](C)NCc2nc(C)cc(=O)[nH]2)o1 ZINC000700479380 711994512 /nfs/dbraw/zinc/99/45/12/711994512.db2.gz DTKQFEGJBFNSLD-SNVBAGLBSA-N 0 0 247.298 2.243 10 0 BEAERN Cc1cc(=O)[nH]c(CN[C@H](C)c2ccccc2)n1 ZINC000700460178 711996304 /nfs/dbraw/zinc/99/63/04/711996304.db2.gz AEFKLCCOWYZDQM-LLVKDONJSA-N 0 0 243.310 2.341 10 0 BEAERN CC(C)OC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700702052 712003673 /nfs/dbraw/zinc/00/36/73/712003673.db2.gz AASHJNVFHFAFQD-LBPRGKRZSA-N 0 0 220.268 2.080 10 0 BEAERN Cn1nnc2c1cccc2-c1ccc(C=O)o1 ZINC000701216235 712018409 /nfs/dbraw/zinc/01/84/09/712018409.db2.gz BDCUCZVRIRFRAE-UHFFFAOYSA-N 0 0 227.223 2.041 10 0 BEAERN CC(C)OC(=O)NCC[C@H]1CC1(F)F ZINC000701950266 712033334 /nfs/dbraw/zinc/03/33/34/712033334.db2.gz LUJPAOQDQFQGLR-ZETCQYMHSA-N 0 0 207.220 2.166 10 0 BEAERN COc1cc(COc2cccc([C@H](C)O)c2)on1 ZINC000705593644 712131868 /nfs/dbraw/zinc/13/18/68/712131868.db2.gz WZDWDHBCBZBAQU-VIFPVBQESA-N 0 0 249.266 2.316 10 0 BEAERN Cc1cc(F)ccc1C(=O)O[C@H]1COC[C@H]1C ZINC000705812762 712136547 /nfs/dbraw/zinc/13/65/47/712136547.db2.gz LGTJCTOZEDYQCI-SKDRFNHKSA-N 0 0 238.258 2.326 10 0 BEAERN O=C(NC[C@H]1CCCC12CC2)n1ccnc1 ZINC000706205775 712140979 /nfs/dbraw/zinc/14/09/79/712140979.db2.gz FHMZUWJIBUCURA-SNVBAGLBSA-N 0 0 219.288 2.021 10 0 BEAERN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(F)cc1N ZINC000706279223 712142956 /nfs/dbraw/zinc/14/29/56/712142956.db2.gz NTZXMJLPGWLGQZ-RKDXNWHRSA-N 0 0 236.290 2.421 10 0 BEAERN O=C(c1ccc(Cl)nc1)N1C[C@H]2CCC[C@H]21 ZINC000706885359 712159057 /nfs/dbraw/zinc/15/90/57/712159057.db2.gz UNROILJXELZUMN-NXEZZACHSA-N 0 0 236.702 2.360 10 0 BEAERN CSC1CC(NC(=O)OC(C)(C)C)C1 ZINC000707118934 712165384 /nfs/dbraw/zinc/16/53/84/712165384.db2.gz ACHWPODPQDAXBR-UHFFFAOYSA-N 0 0 217.334 2.405 10 0 BEAERN O=Cc1cncc(-c2cnc(C3CC3)o2)c1 ZINC000707690557 712176155 /nfs/dbraw/zinc/17/61/55/712176155.db2.gz YXTLRWCLRSOSFA-UHFFFAOYSA-N 0 0 214.224 2.427 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)C1 ZINC000707772386 712177574 /nfs/dbraw/zinc/17/75/74/712177574.db2.gz GLPYVKCOCFFAHH-BTXBGFNFSA-N 0 0 249.354 2.106 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC000707786797 712178399 /nfs/dbraw/zinc/17/83/99/712178399.db2.gz RKERDRWRCWSSFO-WCQYABFASA-N 0 0 239.359 2.496 10 0 BEAERN CCC(C)(C)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707809388 712179175 /nfs/dbraw/zinc/17/91/75/712179175.db2.gz YNLBJRZBVVSHBK-LLVKDONJSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000707840997 712179812 /nfs/dbraw/zinc/17/98/12/712179812.db2.gz VHWSKUYUPCUHPB-ZDUSSCGKSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2cocc2C)C1 ZINC000707845590 712179949 /nfs/dbraw/zinc/17/99/49/712179949.db2.gz IKDSHIXNQLCERP-LLVKDONJSA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000707845586 712180053 /nfs/dbraw/zinc/18/00/53/712180053.db2.gz IJPYFZWZFPCENN-QWHCGFSZSA-N 0 0 249.354 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC000707845714 712180064 /nfs/dbraw/zinc/18/00/64/712180064.db2.gz JNBDLGUOIFHEEI-PSASIEDQSA-N 0 0 247.285 2.105 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000707862565 712180134 /nfs/dbraw/zinc/18/01/34/712180134.db2.gz UNXWZDITUBRNHK-LBPRGKRZSA-N 0 0 249.310 2.040 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000707863824 712180204 /nfs/dbraw/zinc/18/02/04/712180204.db2.gz YTFPEZWOVLGCLJ-IGQOVBAYSA-N 0 0 249.354 2.250 10 0 BEAERN CCc1occc1C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707856868 712180248 /nfs/dbraw/zinc/18/02/48/712180248.db2.gz GEKVXKLXCIWMNY-NSHDSACASA-N 0 0 249.310 2.283 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000707856917 712180384 /nfs/dbraw/zinc/18/03/84/712180384.db2.gz GUDLXVWLHXEGBA-AWEZNQCLSA-N 0 0 245.322 2.436 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000707855646 712180579 /nfs/dbraw/zinc/18/05/79/712180579.db2.gz DMEJLNBVLWORKE-LBPRGKRZSA-N 0 0 249.310 2.338 10 0 BEAERN CSC1CC(Nc2ccnc(C)n2)C1 ZINC000708259932 712184982 /nfs/dbraw/zinc/18/49/82/712184982.db2.gz GZDZGHSJQKNWTH-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN Cc1conc1CN[C@@H]1CCc2c1cccc2O ZINC000708315314 712186558 /nfs/dbraw/zinc/18/65/58/712186558.db2.gz NWKSXCPBIWEYSR-GFCCVEGCSA-N 0 0 244.294 2.466 10 0 BEAERN CCC[C@@H]1CCCN(C(=O)n2ccnc2)C1 ZINC000708459272 712195238 /nfs/dbraw/zinc/19/52/38/712195238.db2.gz NMUDOHWBEPYJJE-LLVKDONJSA-N 0 0 221.304 2.363 10 0 BEAERN C[C@@H](N[C@H](C)c1cncc(F)c1)c1cn(C)cn1 ZINC000710065926 712244322 /nfs/dbraw/zinc/24/43/22/712244322.db2.gz DFFMQEUBNFXQPM-NXEZZACHSA-N 0 0 248.305 2.366 10 0 BEAERN COC1(OC)CC[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000711042470 712276174 /nfs/dbraw/zinc/27/61/74/712276174.db2.gz QSZKMUUYWAKUCO-ZYHUDNBSSA-N 0 0 239.315 2.390 10 0 BEAERN Cc1cnc([C@H](C)NCc2nccn2C2CC2)o1 ZINC000711739026 712321309 /nfs/dbraw/zinc/32/13/09/712321309.db2.gz PDNDYSFUVBLBQN-JTQLQIEISA-N 0 0 246.314 2.365 10 0 BEAERN Cc1cnn(CCNc2ccc(C#N)cc2C)c1 ZINC000378909151 712367148 /nfs/dbraw/zinc/36/71/48/712367148.db2.gz OUHYBEHYBFMGJQ-UHFFFAOYSA-N 0 0 240.310 2.484 10 0 BEAERN Cc1ccccc1N[C@@H](C)C[C@H]1CCC(=O)N1 ZINC000379756734 712397608 /nfs/dbraw/zinc/39/76/08/712397608.db2.gz WRGGSIWFXWMLES-NWDGAFQWSA-N 0 0 232.327 2.464 10 0 BEAERN CCc1nc(C)cc(NC2CC(COC)C2)n1 ZINC000713931438 712473623 /nfs/dbraw/zinc/47/36/23/712473623.db2.gz SZEYZRFANXTLOQ-UHFFFAOYSA-N 0 0 235.331 2.184 10 0 BEAERN CCCn1cc(CN[C@H](C)c2ccc(C)o2)nn1 ZINC000714502348 712493022 /nfs/dbraw/zinc/49/30/22/712493022.db2.gz UCJHLMBNAFOHSR-LLVKDONJSA-N 0 0 248.330 2.440 10 0 BEAERN Cc1cc(CN[C@@H](C)c2cn(C)nn2)cs1 ZINC000715876064 712538663 /nfs/dbraw/zinc/53/86/63/712538663.db2.gz HIWFNIQJECGLNI-VIFPVBQESA-N 0 0 236.344 2.036 10 0 BEAERN CCC(CC)C(=O)OC[C@H]1COC(C)(C)O1 ZINC000132939067 712639678 /nfs/dbraw/zinc/63/96/78/712639678.db2.gz MBRRCBFKCWHVRU-JTQLQIEISA-N 0 0 230.304 2.117 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1cscc1C(F)F ZINC000717241666 712641418 /nfs/dbraw/zinc/64/14/18/712641418.db2.gz LOWYMJZTQHIGRX-NTSWFWBYSA-N 0 0 249.282 2.185 10 0 BEAERN CCOC(=O)CSC[C@H](O)c1ccccc1 ZINC000037487826 712651177 /nfs/dbraw/zinc/65/11/77/712651177.db2.gz CNEPSHYHOUCTIW-NSHDSACASA-N 0 0 240.324 2.016 10 0 BEAERN CCn1ccnc1CSC1=NCCS1 ZINC000195516641 712730553 /nfs/dbraw/zinc/73/05/53/712730553.db2.gz XTQBGEXAJLNLJD-UHFFFAOYSA-N 0 0 227.358 2.239 10 0 BEAERN O[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)OCCO2 ZINC000037691187 712740308 /nfs/dbraw/zinc/74/03/08/712740308.db2.gz XBXNAVXRESMIHI-VXGBXAGGSA-N 0 0 249.310 2.173 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccnc2ncccc12 ZINC000718933316 712788564 /nfs/dbraw/zinc/78/85/64/712788564.db2.gz PLCKCCAPUHLMQW-MWLCHTKSSA-N 0 0 229.283 2.219 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC000719007852 712793643 /nfs/dbraw/zinc/79/36/43/712793643.db2.gz KBSNGZHTGIGOFY-SDDRHHMPSA-N 0 0 225.332 2.008 10 0 BEAERN Cc1sccc1CN[C@@H](C)c1cn(C)nn1 ZINC000720585534 712854700 /nfs/dbraw/zinc/85/47/00/712854700.db2.gz ZOCYHKBVSXTVCR-QMMMGPOBSA-N 0 0 236.344 2.036 10 0 BEAERN C[C@@H](Nc1ncccc1Cl)c1cn(C)nn1 ZINC000720584369 712854741 /nfs/dbraw/zinc/85/47/41/712854741.db2.gz QYMOBPGZXPRFKG-SSDOTTSWSA-N 0 0 237.694 2.037 10 0 BEAERN Cc1nsc(-c2cccc(C=O)c2)n1 ZINC000721099436 712891088 /nfs/dbraw/zinc/89/10/88/712891088.db2.gz BOSSDJRITHRGTM-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OCC(F)F ZINC000588455138 958582721 /nfs/dbraw/zinc/58/27/21/958582721.db2.gz CRGXNCXLHSGBCF-PLNGDYQASA-N 0 0 227.210 2.212 10 0 BEAERN OCCSCc1cncc(Br)c1 ZINC000039171450 1165739092 /nfs/dbraw/zinc/73/90/92/1165739092.db2.gz NWUDCDUKJCBRQR-UHFFFAOYSA-N 0 0 248.145 2.070 10 0 BEAERN Cc1noc(NCc2sc(C)nc2C)n1 ZINC000134432715 1167352053 /nfs/dbraw/zinc/35/20/53/1167352053.db2.gz BXZZYKPSWQCBAZ-UHFFFAOYSA-N 0 0 224.289 2.063 10 0 BEAERN O=C([O-])C1CCC([NH2+]CCCC(F)F)CC1 ZINC000699817284 976929079 /nfs/dbraw/zinc/92/90/79/976929079.db2.gz FTHOYKWDBFDMOK-UHFFFAOYSA-N 0 0 235.274 2.265 10 0 BEAERN CC[C@H](C)C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710241759 977497142 /nfs/dbraw/zinc/49/71/42/977497142.db2.gz GTKSFJOLGHEFAS-NHCYSSNCSA-N 0 0 213.321 2.075 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711424376 977545788 /nfs/dbraw/zinc/54/57/88/977545788.db2.gz XTNQKSWBDDPEPU-JGVFFNPUSA-N 0 0 225.313 2.287 10 0 BEAERN CCCCCNC(=O)c1ccc(NC)cn1 ZINC000130030275 1168837088 /nfs/dbraw/zinc/83/70/88/1168837088.db2.gz YHXOVFMWJRBVPC-UHFFFAOYSA-N 0 0 221.304 2.043 10 0 BEAERN CC(C)(C)C(=O)N1CCc2c(N)cccc2C1 ZINC000057520819 1169152768 /nfs/dbraw/zinc/15/27/68/1169152768.db2.gz WGVVQWPYLLPSHA-UHFFFAOYSA-N 0 0 232.327 2.200 10 0 BEAERN CC(C)C1(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000687530404 954617610 /nfs/dbraw/zinc/61/76/10/954617610.db2.gz VHALDBVOQOGSNH-NEPJUHHUSA-N 0 0 239.359 2.465 10 0 BEAERN CC[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)[O-])CO1 ZINC000688534453 954628180 /nfs/dbraw/zinc/62/81/80/954628180.db2.gz DVHWLLYZAIJQMJ-RYUDHWBXSA-N 0 0 249.310 2.042 10 0 BEAERN CC(C)(CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)[O-] ZINC000694380358 954775306 /nfs/dbraw/zinc/77/53/06/954775306.db2.gz FUZHWDBNNGFGNB-OUAUKWLOSA-N 0 0 225.332 2.266 10 0 BEAERN CC[C@H](C[NH2+][C@H](C(=O)[O-])C(C)C)CC(F)F ZINC000699720257 954858842 /nfs/dbraw/zinc/85/88/42/954858842.db2.gz GJVWXWJQVWEBFZ-WPRPVWTQSA-N 0 0 237.290 2.367 10 0 BEAERN CC[C@@H](C[NH2+][C@H](C(=O)[O-])C(C)C)CC(F)F ZINC000699720251 954859255 /nfs/dbraw/zinc/85/92/55/954859255.db2.gz GJVWXWJQVWEBFZ-SCZZXKLOSA-N 0 0 237.290 2.367 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000706732169 954955615 /nfs/dbraw/zinc/95/56/15/954955615.db2.gz KGBAOCSFUOYHQD-ZJUUUORDSA-N 0 0 219.284 2.225 10 0 BEAERN CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(=O)[O-] ZINC000707881630 954975089 /nfs/dbraw/zinc/97/50/89/954975089.db2.gz RXSHMOMXKZDVAD-XWLWVQCSSA-N 0 0 211.305 2.018 10 0 BEAERN CC(C)SCC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000710527944 955028698 /nfs/dbraw/zinc/02/86/98/955028698.db2.gz PRZLKEVGJYZNHC-MNOVXSKESA-N 0 0 245.388 2.171 10 0 BEAERN Cc1coc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1 ZINC000718060354 955155268 /nfs/dbraw/zinc/15/52/68/955155268.db2.gz UWUHEBASZHWPAU-UHFFFAOYSA-N 0 0 237.299 2.321 10 0 BEAERN CO[C@@H]1CCC[C@H]([NH2+]CCCCC(=O)[O-])CC1 ZINC000718375740 955157571 /nfs/dbraw/zinc/15/75/71/955157571.db2.gz VRRXHMJOTSBARC-NWDGAFQWSA-N 0 0 243.347 2.179 10 0 BEAERN O=C([O-])CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000723748128 955202652 /nfs/dbraw/zinc/20/26/52/955202652.db2.gz AXUBIDGJTFVWJK-LBPRGKRZSA-N 0 0 211.305 2.020 10 0 BEAERN Cc1noc([C@@H](NC(=O)c2ccoc2)C(C)C)n1 ZINC000112024137 972202773 /nfs/dbraw/zinc/20/27/73/972202773.db2.gz COCQZGYQCJNVFD-JTQLQIEISA-N 0 0 249.270 2.098 10 0 BEAERN Cc1noc([C@H](NC(=O)c2ccoc2)C(C)C)n1 ZINC000112024136 972204112 /nfs/dbraw/zinc/20/41/12/972204112.db2.gz COCQZGYQCJNVFD-SNVBAGLBSA-N 0 0 249.270 2.098 10 0 BEAERN CC/C=C\COC(=O)[C@H](CC(C)C)NC(C)=O ZINC000588424038 958399529 /nfs/dbraw/zinc/39/95/29/958399529.db2.gz BRYOIONVPVIQFI-DGMVEKRQSA-N 0 0 241.331 2.047 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OCCOC(C)C ZINC000588455231 958582754 /nfs/dbraw/zinc/58/27/54/958582754.db2.gz QWTHWEPWMQKLQY-SREVYHEPSA-N 0 0 249.310 2.371 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OC(C)C ZINC000588455364 958584217 /nfs/dbraw/zinc/58/42/17/958584217.db2.gz XHNXWUSCNQUMPN-SREVYHEPSA-N 0 0 205.257 2.355 10 0 BEAERN O=C(/C=C\c1cccnc1)OCc1cncs1 ZINC000588458011 958605296 /nfs/dbraw/zinc/60/52/96/958605296.db2.gz GQOOWUAAEXNFJV-ARJAWSKDSA-N 0 0 246.291 2.295 10 0 BEAERN C/C(=C/C(=O)O[C@@H]1CCO[C@H]1C)C1CC1 ZINC000588492964 958825458 /nfs/dbraw/zinc/82/54/58/958825458.db2.gz LXAVCNDDHPEZQJ-UVMITHTMSA-N 0 0 210.273 2.063 10 0 BEAERN C/C(=C/C(C)(C)C)C(=O)Oc1cnn(C)c1 ZINC000588514155 958880026 /nfs/dbraw/zinc/88/00/26/958880026.db2.gz AGZFNNKZIQIAHA-TWGQIWQCSA-N 0 0 222.288 2.318 10 0 BEAERN C/C=C(/C)C(=O)OCCC[C@@H]1CCCO1 ZINC000588449036 960054139 /nfs/dbraw/zinc/05/41/39/960054139.db2.gz HRBHRMXJERBNKZ-CGXZDELUSA-N 0 0 212.289 2.455 10 0 BEAERN CCN(C(=O)c1cc(F)c(F)cc1N)C1CC1 ZINC000050016580 962733734 /nfs/dbraw/zinc/73/37/34/962733734.db2.gz UDNBNVRSHYHHSA-UHFFFAOYSA-N 0 0 240.253 2.172 10 0 BEAERN C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2N)C1 ZINC000050017782 962736334 /nfs/dbraw/zinc/73/63/34/962736334.db2.gz HQYKTVNCINGNET-ZETCQYMHSA-N 0 0 240.253 2.029 10 0 BEAERN Cc1ccc(CN(C)C(=S)NC(C)C)o1 ZINC000048228162 962781493 /nfs/dbraw/zinc/78/14/93/962781493.db2.gz UZGPXVIGIIHRRK-UHFFFAOYSA-N 0 0 226.345 2.303 10 0 BEAERN CCNS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000212639063 963971486 /nfs/dbraw/zinc/97/14/86/963971486.db2.gz DQEAKEIVJSSEJO-FPLPWBNLSA-N 0 0 245.731 2.250 10 0 BEAERN O=C([O-])c1cccc(C[NH2+]Cc2cnsc2)c1 ZINC000687230046 968877851 /nfs/dbraw/zinc/87/78/51/968877851.db2.gz DCMCONBUFFFRNV-UHFFFAOYSA-N 0 0 248.307 2.131 10 0 BEAERN C[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(Cl)cn1 ZINC000695212312 968957392 /nfs/dbraw/zinc/95/73/92/968957392.db2.gz HSGJERVHXZAGJC-MRVPVSSYSA-N 0 0 242.706 2.250 10 0 BEAERN CC[N@H+](CCCC(C)C)[C@H](C)C(=O)[O-] ZINC000707970246 969030744 /nfs/dbraw/zinc/03/07/44/969030744.db2.gz ASDBMNKXFQVNRJ-SNVBAGLBSA-N 0 0 201.310 2.218 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1cc(N)ccn1 ZINC000125910320 973040067 /nfs/dbraw/zinc/04/00/67/973040067.db2.gz KIEOXMXUAFCPHL-LBPRGKRZSA-N 0 0 247.342 2.459 10 0 BEAERN Cc1ccc(C[NH+]2CC(C)(C(=O)[O-])C2)c(F)c1 ZINC000686308304 976104249 /nfs/dbraw/zinc/10/42/49/976104249.db2.gz UDHHFUWLFCQFIS-UHFFFAOYSA-N 0 0 237.274 2.041 10 0 BEAERN CC[C@@](COC)([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000688401198 976176959 /nfs/dbraw/zinc/17/69/59/976176959.db2.gz OVPIWXJGQDUOKA-ZDUSSCGKSA-N 0 0 243.347 2.036 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689377173 976252258 /nfs/dbraw/zinc/25/22/58/976252258.db2.gz QROIQZOHWOCWHW-ZJRUKIMVSA-N 0 0 229.295 2.089 10 0 BEAERN CC(C)OCCC[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000690408617 976290112 /nfs/dbraw/zinc/29/01/12/976290112.db2.gz JHJFMAYCQUQVEE-LBPRGKRZSA-N 0 0 243.347 2.131 10 0 BEAERN CC[N@H+](CCC(=O)[O-])Cc1nc(C)sc1C ZINC000692476453 976502529 /nfs/dbraw/zinc/50/25/29/976502529.db2.gz QQXPNVXVSSHGSA-UHFFFAOYSA-N 0 0 242.344 2.057 10 0 BEAERN Cc1cc(C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cs1 ZINC000693025252 976570003 /nfs/dbraw/zinc/57/00/03/976570003.db2.gz HDXWPVRWCCRQSA-PHIMTYICSA-N 0 0 239.340 2.352 10 0 BEAERN O=C([O-])[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)C1CC1 ZINC000693613662 976647501 /nfs/dbraw/zinc/64/75/01/976647501.db2.gz YUEXDVQBLKVHAE-DMDPSCGWSA-N 0 0 223.316 2.020 10 0 BEAERN C[N@H+](CCCC1CC1)C(C)(C)CC(=O)[O-] ZINC000694037180 976663241 /nfs/dbraw/zinc/66/32/41/976663241.db2.gz SYVGRKZFTXCDMB-UHFFFAOYSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CCC=C(Cl)C1 ZINC000695089456 976775915 /nfs/dbraw/zinc/77/59/15/976775915.db2.gz DODYWHHXHSCLTQ-SNVBAGLBSA-N 0 0 231.723 2.314 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000695084132 976776130 /nfs/dbraw/zinc/77/61/30/976776130.db2.gz RMAXJRGKNXMCMZ-NEPJUHHUSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CCS[C@H](C)CC1 ZINC000695166580 976787823 /nfs/dbraw/zinc/78/78/23/976787823.db2.gz MSWBWSWTNULZCZ-GHMZBOCLSA-N 0 0 245.388 2.313 10 0 BEAERN C[C@@H](CSCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695297538 976791248 /nfs/dbraw/zinc/79/12/48/976791248.db2.gz IXYJPWMDUUXBLP-NSHDSACASA-N 0 0 245.388 2.316 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000697439420 976845103 /nfs/dbraw/zinc/84/51/03/976845103.db2.gz YQDKBAXRJFXAQW-GFCCVEGCSA-N 0 0 231.295 2.345 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1(C2CC2)CC1)c1ccccc1 ZINC000697439421 976845615 /nfs/dbraw/zinc/84/56/15/976845615.db2.gz YQDKBAXRJFXAQW-LBPRGKRZSA-N 0 0 231.295 2.345 10 0 BEAERN O=C([O-])c1ccoc1C[NH2+]C1(C2CC2)CC1 ZINC000700106759 976934808 /nfs/dbraw/zinc/93/48/08/976934808.db2.gz ANXOHCGCGFGJHS-UHFFFAOYSA-N 0 0 221.256 2.010 10 0 BEAERN O=C([O-])c1occc1C[NH2+]C1(C2CCC2)CC1 ZINC000700231500 976938006 /nfs/dbraw/zinc/93/80/06/976938006.db2.gz CMHBFRZWPYALBH-UHFFFAOYSA-N 0 0 235.283 2.400 10 0 BEAERN Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1C(=O)[O-] ZINC000701818789 977043978 /nfs/dbraw/zinc/04/39/78/977043978.db2.gz VUAQUOPCKZKSQA-WCQYABFASA-N 0 0 231.295 2.287 10 0 BEAERN O=C([O-])c1cc[nH+]c(NCC[C@H]2CC2(F)F)c1 ZINC000701981883 977058869 /nfs/dbraw/zinc/05/88/69/977058869.db2.gz FIEWELASLYEMRN-QMMMGPOBSA-N 0 0 242.225 2.237 10 0 BEAERN CC(C)(C)[C@H]([NH2+]CC1=CCCC1)C(=O)[O-] ZINC000702395971 977079937 /nfs/dbraw/zinc/07/99/37/977079937.db2.gz ORMSFLDHXXEJGO-SNVBAGLBSA-N 0 0 211.305 2.186 10 0 BEAERN CCC[C@](C)([NH2+]Cc1ccnc(C)c1)C(=O)[O-] ZINC000703488119 977166610 /nfs/dbraw/zinc/16/66/10/977166610.db2.gz XYCSCQFIRGYGLH-ZDUSSCGKSA-N 0 0 236.315 2.123 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@H+]1CCCC[C@H](C)C1 ZINC000703658697 977174072 /nfs/dbraw/zinc/17/40/72/977174072.db2.gz LPXYUKGOQLKUPU-QBQSQJOESA-N 0 0 211.305 2.139 10 0 BEAERN CCC1C[NH+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000704751730 977251478 /nfs/dbraw/zinc/25/14/78/977251478.db2.gz IXIWQPRSWXIQGD-UHFFFAOYSA-N 0 0 223.272 2.128 10 0 BEAERN CCC1C[NH+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000704757722 977254029 /nfs/dbraw/zinc/25/40/29/977254029.db2.gz YJHJFPJGVUHCKW-UHFFFAOYSA-N 0 0 237.274 2.366 10 0 BEAERN C[C@H]([NH2+]Cc1ccoc1C(=O)[O-])C1(C)CC1 ZINC000706597719 977355679 /nfs/dbraw/zinc/35/56/79/977355679.db2.gz DNUANPWCLYGLPN-QMMMGPOBSA-N 0 0 223.272 2.256 10 0 BEAERN C[C@H]([NH2+]Cc1nc(C(=O)[O-])cs1)C1(C)CC1 ZINC000706599399 977356044 /nfs/dbraw/zinc/35/60/44/977356044.db2.gz QEGJVOHXSBEBQD-ZETCQYMHSA-N 0 0 240.328 2.120 10 0 BEAERN CC[N@H+](C/C(C)=C/C(=O)[O-])[C@@H](C)C(C)C ZINC000706666171 977358163 /nfs/dbraw/zinc/35/81/63/977358163.db2.gz KBXFYVLLKZEOSC-HUYFXPKMSA-N 0 0 213.321 2.384 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC000706736446 977360393 /nfs/dbraw/zinc/36/03/93/977360393.db2.gz XIOHKVIPBDMWII-DTWKUNHWSA-N 0 0 237.274 2.364 10 0 BEAERN Cc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)oc1C(=O)[O-] ZINC000706912049 977367442 /nfs/dbraw/zinc/36/74/42/977367442.db2.gz CYKFINDLRMNMHI-RKDXNWHRSA-N 0 0 223.272 2.126 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)o1 ZINC000706932658 977368728 /nfs/dbraw/zinc/36/87/28/977368728.db2.gz AAERCBHPYOPONE-MWLCHTKSSA-N 0 0 235.283 2.352 10 0 BEAERN O=C([O-])c1ccoc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706935304 977369923 /nfs/dbraw/zinc/36/99/23/977369923.db2.gz KYFOGSRZBHFFEX-ONGXEEELSA-N 0 0 235.283 2.352 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000707008276 977372805 /nfs/dbraw/zinc/37/28/05/977372805.db2.gz VGMBLLBGWOACTB-SSDOTTSWSA-N 0 0 245.225 2.065 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000707301664 977381771 /nfs/dbraw/zinc/38/17/71/977381771.db2.gz FZCLSYXELDBTBV-RUYJGKKWSA-N 0 0 243.372 2.091 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC000709961506 977474098 /nfs/dbraw/zinc/47/40/98/977474098.db2.gz WNBUQOCSBIOYNP-LBPRGKRZSA-N 0 0 237.343 2.410 10 0 BEAERN C[C@H]1C[N@H+](CCc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC000710162908 977488496 /nfs/dbraw/zinc/48/84/96/977488496.db2.gz VJPXZDKVRJRXBN-WFASDCNBSA-N 0 0 247.338 2.272 10 0 BEAERN C[NH+](C)CCSCc1cc(C(=O)[O-])cs1 ZINC000711388388 977540578 /nfs/dbraw/zinc/54/05/78/977540578.db2.gz HOVWZFHAOSKUKN-UHFFFAOYSA-N 0 0 245.369 2.241 10 0 BEAERN O=C([O-])c1csc(C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000711432618 977547990 /nfs/dbraw/zinc/54/79/90/977547990.db2.gz ZLKQYMKBJMEMDN-OIBJUYFYSA-N 0 0 223.297 2.041 10 0 BEAERN C=C/C=C/CC[NH2+][C@@H](CCCC)C(=O)[O-] ZINC000713456473 977636702 /nfs/dbraw/zinc/63/67/02/977636702.db2.gz TWDWEZHAMVWFSN-ZRQQLDRUSA-N 0 0 211.305 2.352 10 0 BEAERN C=C/C=C\CC[NH2+]Cc1ccoc1C(=O)[O-] ZINC000713456146 977636807 /nfs/dbraw/zinc/63/68/07/977636807.db2.gz QQAWWJLUHCIBSF-ARJAWSKDSA-N 0 0 221.256 2.200 10 0 BEAERN C=C/C=C/CC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000713711160 977657893 /nfs/dbraw/zinc/65/78/93/977657893.db2.gz QSFCPHSCVQIEHF-AAOUONPWSA-N 0 0 223.316 2.448 10 0 BEAERN C=C/C=C\CC[NH2+]CCC(C)(C)C(=O)[O-] ZINC000713757668 977658070 /nfs/dbraw/zinc/65/80/70/977658070.db2.gz LOZBMFQALDZTNQ-WAYWQWQTSA-N 0 0 211.305 2.209 10 0 BEAERN CC[C@@](C)([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337840 977667816 /nfs/dbraw/zinc/66/78/16/977667816.db2.gz LSUGFISRMWKFQN-GXFFZTMASA-N 0 0 243.347 2.177 10 0 BEAERN CCC[C@H](CC)[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715231545 977700089 /nfs/dbraw/zinc/70/00/89/977700089.db2.gz SSLBNMFEQWFYDA-XHNCKOQMSA-N 0 0 235.274 2.121 10 0 BEAERN C[C@H]([NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCCC1 ZINC000715245929 977704723 /nfs/dbraw/zinc/70/47/23/977704723.db2.gz GZXYFUOJPYASLT-SFGNSQDASA-N 0 0 247.285 2.121 10 0 BEAERN CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715253350 977709767 /nfs/dbraw/zinc/70/97/67/977709767.db2.gz WZZTXQVZTVAHPQ-VGMNWLOBSA-N 0 0 247.285 2.121 10 0 BEAERN O=C([O-])c1ccoc1C[NH2+]C1(C2CC2)CCC1 ZINC000717816151 977921681 /nfs/dbraw/zinc/92/16/81/977921681.db2.gz NOGXENBDZVVXCI-UHFFFAOYSA-N 0 0 235.283 2.400 10 0 BEAERN Cc1coc(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC000718071352 977941031 /nfs/dbraw/zinc/94/10/31/977941031.db2.gz DHKNEKFTUARZPR-GWCFXTLKSA-N 0 0 237.299 2.131 10 0 BEAERN CC1([NH2+]Cc2cc(C(=O)[O-])co2)CC(F)(F)C1 ZINC000720934681 978087948 /nfs/dbraw/zinc/08/79/48/978087948.db2.gz JRHBVXOIYJUTKE-UHFFFAOYSA-N 0 0 245.225 2.255 10 0 BEAERN CCCC[C@@H]([NH2+][C@@H]1CC12CCC2)C(=O)[O-] ZINC000721222687 978096231 /nfs/dbraw/zinc/09/62/31/978096231.db2.gz QFMKDQLGAAIKEK-NXEZZACHSA-N 0 0 211.305 2.162 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@H+](Cc1ccoc1)C1CC1 ZINC000723722510 978216774 /nfs/dbraw/zinc/21/67/74/978216774.db2.gz PEPQKVZQVHCWHV-UXBLZVDNSA-N 0 0 235.283 2.275 10 0 BEAERN C/C(=C\C[NH+]1CCC(C2CC2)CC1)C(=O)[O-] ZINC000724687601 978234664 /nfs/dbraw/zinc/23/46/64/978234664.db2.gz NNRLLJLZDLGOFE-ONNFQVAWSA-N 0 0 223.316 2.139 10 0 BEAERN CO[C@@H]1CCCC[C@@H]1OC(=O)C1CC=CC1 ZINC000119599134 991305217 /nfs/dbraw/zinc/30/52/17/991305217.db2.gz KAZAXINPTJDVQS-NEPJUHHUSA-N 0 0 224.300 2.453 10 0 BEAERN C[C@@H](C1CC1)N(C)C(=O)c1cc(F)ccc1N ZINC000037504587 1170953666 /nfs/dbraw/zinc/95/36/66/1170953666.db2.gz NCPGCDQURVFDSW-QMMMGPOBSA-N 0 0 236.290 2.278 10 0 BEAERN COC(=O)[C@H](CC(C)C)N[C@H](C)C1(C)CC1 ZINC000037508292 1170953307 /nfs/dbraw/zinc/95/33/07/1170953307.db2.gz ITYXJLXUWUHNOM-MNOVXSKESA-N 0 0 227.348 2.352 10 0 BEAERN CCc1ccc(NC(=O)c2cc(N)ccn2)cc1 ZINC000050699510 1171826300 /nfs/dbraw/zinc/82/63/00/1171826300.db2.gz YPKJAAYGGAUNTR-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN Nc1ccnc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000050699442 1171827683 /nfs/dbraw/zinc/82/76/83/1171827683.db2.gz PFIBGPFEODTLSS-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CCN(C(=O)c1cc(N)ccn1)c1ccccc1 ZINC000050699828 1171828220 /nfs/dbraw/zinc/82/82/20/1171828220.db2.gz WMDQXODNGANYRT-UHFFFAOYSA-N 0 0 241.294 2.331 10 0 BEAERN CNc1ncccc1C(=O)NCc1cccs1 ZINC000050746645 1171835258 /nfs/dbraw/zinc/83/52/58/1171835258.db2.gz RXOFZALUKJNTJT-UHFFFAOYSA-N 0 0 247.323 2.115 10 0 BEAERN CCCCn1nc2c(c1N)C[C@@H](C)CC2 ZINC000685953642 538897993 /nfs/dbraw/zinc/89/79/93/538897993.db2.gz XYMQXFIQENKKEP-VIFPVBQESA-N 0 0 207.321 2.390 10 0 BEAERN CC[C@H]1Nc2c(C)cccc2C[C@@]1(C)O ZINC000685963723 538910670 /nfs/dbraw/zinc/91/06/70/538910670.db2.gz WDDDCYPJKQWVLT-DGCLKSJQSA-N 0 0 205.301 2.493 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000685963578 538910459 /nfs/dbraw/zinc/91/04/59/538910459.db2.gz SVWGGLSDQZBBHO-ZEGGKSINSA-N 0 0 220.316 2.012 10 0 BEAERN CC[C@@H](C)OCC(F)(F)CNC1CC1 ZINC000685956069 538902155 /nfs/dbraw/zinc/90/21/55/538902155.db2.gz WKJQFNAISYMFIH-MRVPVSSYSA-N 0 0 207.264 2.189 10 0 BEAERN CC[C@@]1(C(C)C)CC(=O)NC12CCOCC2 ZINC000685958843 538906388 /nfs/dbraw/zinc/90/63/88/538906388.db2.gz HIOJWMYBJYMDHQ-LBPRGKRZSA-N 0 0 225.332 2.108 10 0 BEAERN CCc1nc(C(Cl)(Cl)Cl)ncc1N ZINC000685960002 538907060 /nfs/dbraw/zinc/90/70/60/538907060.db2.gz XFHZZCACFRGXIS-UHFFFAOYSA-N 0 0 240.521 2.448 10 0 BEAERN O=C1C[C@@H](c2ccns2)C2(CCCCC2)N1 ZINC000685960119 538907587 /nfs/dbraw/zinc/90/75/87/538907587.db2.gz ZQTGKTIXYMDGQE-VIFPVBQESA-N 0 0 236.340 2.450 10 0 BEAERN CCC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961781 538908616 /nfs/dbraw/zinc/90/86/16/538908616.db2.gz OEOVKULEEQYUDF-DTWKUNHWSA-N 0 0 227.304 2.126 10 0 BEAERN CC(C)C(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961689 538908653 /nfs/dbraw/zinc/90/86/53/538908653.db2.gz NIKXKSBWXRBDIU-ZJUUUORDSA-N 0 0 241.331 2.372 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H](C(F)(F)F)N2 ZINC000685963001 538909543 /nfs/dbraw/zinc/90/95/43/538909543.db2.gz CWNCQUUVODCCFR-VHSXEESVSA-N 0 0 231.217 2.255 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccccc2C[C@@H]1O ZINC000685963005 538909572 /nfs/dbraw/zinc/90/95/72/538909572.db2.gz CZBBQHOHSNEHJK-TVYUQYBPSA-N 0 0 205.301 2.430 10 0 BEAERN CCc1ccc2c(c1)C[C@H](O)[C@H](C1CC1)N2 ZINC000685963542 538909996 /nfs/dbraw/zinc/90/99/96/538909996.db2.gz RVMPTLIBOCRCKS-KBPBESRZSA-N 0 0 217.312 2.357 10 0 BEAERN CCc1nc2c(F)cccc2cc1NN ZINC000685963097 538910152 /nfs/dbraw/zinc/91/01/52/538910152.db2.gz GJLKNPLUZSGYTE-UHFFFAOYSA-N 0 0 205.236 2.222 10 0 BEAERN CCC[C@H]1Nc2cccc(OC)c2C[C@H]1O ZINC000685963105 538910241 /nfs/dbraw/zinc/91/02/41/538910241.db2.gz GKUVLXOLCIFGSL-VXGBXAGGSA-N 0 0 221.300 2.193 10 0 BEAERN CCOC(C)(C)C(=O)N[C@H](CC)C(C)C ZINC000636712086 349439771 /nfs/dbraw/zinc/43/97/71/349439771.db2.gz GQHZGBVCOVDAJE-SNVBAGLBSA-N 0 0 215.337 2.352 10 0 BEAERN CC[C@@H](NC(=O)N[C@H]1CCCOCC1)C(C)C ZINC000408117963 136210694 /nfs/dbraw/zinc/21/06/94/136210694.db2.gz KKPAISMRJFKTDF-NWDGAFQWSA-N 0 0 242.363 2.289 10 0 BEAERN CC[C@H](C)n1cc2c(n1)[C@H](C)[N-]C(=S)O2 ZINC000685965941 538911022 /nfs/dbraw/zinc/91/10/22/538911022.db2.gz ZWVALEULAZFPCY-BQBZGAKWSA-N 0 0 225.317 2.182 10 0 BEAERN Nc1cn(C[C@H]2CCCC(F)(F)C2)cn1 ZINC000685964239 538911240 /nfs/dbraw/zinc/91/12/40/538911240.db2.gz UIQDEQZNJIIHSH-QMMMGPOBSA-N 0 0 215.247 2.291 10 0 BEAERN Cc1cc(C)nc(NCCOCC(C)C)n1 ZINC000097476926 177944461 /nfs/dbraw/zinc/94/44/61/177944461.db2.gz VVEQCOOAQYKWDM-UHFFFAOYSA-N 0 0 223.320 2.178 10 0 BEAERN CCC(CC)n1cc2c(n1)[C@H](C)NC(=O)O2 ZINC000685965414 538912124 /nfs/dbraw/zinc/91/21/24/538912124.db2.gz CRHDQIHUXVCJPV-ZETCQYMHSA-N 0 0 223.276 2.407 10 0 BEAERN CSCCCn1cc2ccc(N)cc2n1 ZINC000685965652 538912406 /nfs/dbraw/zinc/91/24/06/538912406.db2.gz NIVQXDNNCKLQNH-UHFFFAOYSA-N 0 0 221.329 2.372 10 0 BEAERN Cc1cccc2c1N[C@@H](CC1CC1)[C@H](O)C2 ZINC000685963393 538913054 /nfs/dbraw/zinc/91/30/54/538913054.db2.gz NHDRQSBMRGICAS-QWHCGFSZSA-N 0 0 217.312 2.493 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cnoc2)C1 ZINC000616611743 349459640 /nfs/dbraw/zinc/45/96/40/349459640.db2.gz MXMBMCDTFLJSDC-SECBINFHSA-N 0 0 238.287 2.399 10 0 BEAERN Cc1cnn(CCNc2ccc(Cl)cn2)c1 ZINC000231139272 398143890 /nfs/dbraw/zinc/14/38/90/398143890.db2.gz WDSPEGKLTSKHNP-UHFFFAOYSA-N 0 0 236.706 2.352 10 0 BEAERN Cc1cc(C=O)c(C)n1C1CCOCC1 ZINC000036319876 343978564 /nfs/dbraw/zinc/97/85/64/343978564.db2.gz VIEMENZSCYRAFZ-UHFFFAOYSA-N 0 0 207.273 2.269 10 0 BEAERN CC[C@H]1CCN(CCO)c2ccccc21 ZINC000616588440 349491952 /nfs/dbraw/zinc/49/19/52/349491952.db2.gz ATBPRBHNIBZSHW-NSHDSACASA-N 0 0 205.301 2.383 10 0 BEAERN COc1ccc([C@@H](N)c2nccs2)cc1 ZINC000058432135 187322503 /nfs/dbraw/zinc/32/25/03/187322503.db2.gz APOVPGRHZRJOOD-SNVBAGLBSA-N 0 0 220.297 2.200 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cccc(N)n1 ZINC000616612208 349478800 /nfs/dbraw/zinc/47/88/00/349478800.db2.gz HXIQWLFDKIMGSI-LLVKDONJSA-N 0 0 249.314 2.347 10 0 BEAERN CC[C@@H](C)c1n[n-]c(=[NH+]C(C)(C)C)n1CC ZINC000336743019 398147601 /nfs/dbraw/zinc/14/76/01/398147601.db2.gz SQRUHXWZQFDZGU-SECBINFHSA-N 0 0 224.352 2.444 10 0 BEAERN CCC(C)(C)CNC(=O)N[C@H]1CCCC[C@H]1O ZINC000408380208 398144233 /nfs/dbraw/zinc/14/42/33/398144233.db2.gz VHZKDNAIXYTGSM-WDEREUQCSA-N 0 0 242.363 2.025 10 0 BEAERN CCC(CC)C(=O)N(CCC(N)=S)C(C)C ZINC000041624200 168334069 /nfs/dbraw/zinc/33/40/69/168334069.db2.gz KNACPHVIBXLISC-UHFFFAOYSA-N 0 0 244.404 2.336 10 0 BEAERN Cc1cc(CNOCc2ccccc2)on1 ZINC000082979326 178029892 /nfs/dbraw/zinc/02/98/92/178029892.db2.gz RGVIQOINUXUIEG-UHFFFAOYSA-N 0 0 218.256 2.204 10 0 BEAERN Cc1cc(CN[C@@H](C)c2ncc(C)o2)on1 ZINC000336670525 178030938 /nfs/dbraw/zinc/03/09/38/178030938.db2.gz RXAZGJDOCUDFNV-VIFPVBQESA-N 0 0 221.260 2.130 10 0 BEAERN Cc1cnc([C@H](C)NCc2cc(C)on2)o1 ZINC000336781847 178031879 /nfs/dbraw/zinc/03/18/79/178031879.db2.gz VYHHVRZXWIXYEE-VIFPVBQESA-N 0 0 221.260 2.130 10 0 BEAERN Cc1cc(CN[C@@H]2CCc3c2cccc3O)on1 ZINC000044986477 178035982 /nfs/dbraw/zinc/03/59/82/178035982.db2.gz WTHZDEIURUVLIA-CYBMUJFWSA-N 0 0 244.294 2.466 10 0 BEAERN Cc1cc(CN[C@@H]2COc3ccccc32)no1 ZINC000336464307 178036016 /nfs/dbraw/zinc/03/60/16/178036016.db2.gz CEALHAMMFNZOBM-GFCCVEGCSA-N 0 0 230.267 2.206 10 0 BEAERN CNc1ccccc1[C@H]1CCCCN1C(N)=O ZINC000616615302 398174765 /nfs/dbraw/zinc/17/47/65/398174765.db2.gz VDQMOCGCFLDUJU-GFCCVEGCSA-N 0 0 233.315 2.334 10 0 BEAERN Cc1cc(CNc2cc(C)c(C)nn2)on1 ZINC000301209315 178042099 /nfs/dbraw/zinc/04/20/99/178042099.db2.gz SQIGZNCNMFWHFJ-UHFFFAOYSA-N 0 0 218.260 2.002 10 0 BEAERN Cc1cc(CO)cc(C)c1OCc1cnn(C)c1 ZINC000020424928 178045689 /nfs/dbraw/zinc/04/56/89/178045689.db2.gz JQTZCFGSIBLXNO-UHFFFAOYSA-N 0 0 246.310 2.108 10 0 BEAERN Cc1cc(CO)ccc1N1CCC[C@H]1CCCO ZINC000052761093 178046244 /nfs/dbraw/zinc/04/62/44/178046244.db2.gz XIHUASPWRNMLBI-AWEZNQCLSA-N 0 0 249.354 2.229 10 0 BEAERN Cc1cc(CO)nc(Nc2ccccc2)n1 ZINC000034274514 178046363 /nfs/dbraw/zinc/04/63/63/178046363.db2.gz ICVNJIFYUVQAIA-UHFFFAOYSA-N 0 0 215.256 2.021 10 0 BEAERN Cc1cc(Cn2nccc2N)c(C)s1 ZINC000049687156 178074153 /nfs/dbraw/zinc/07/41/53/178074153.db2.gz LZKGRZYVQGPDCD-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN Cc1cc(Cl)c2ncc([C@H](C)O)n2c1 ZINC000082694229 178061682 /nfs/dbraw/zinc/06/16/82/178061682.db2.gz OSZCPHDLTJWRBO-ZETCQYMHSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nc2c(Cl)cc(C)cn2c1CO ZINC000082694198 178062322 /nfs/dbraw/zinc/06/23/22/178062322.db2.gz XSTYNJJFAYJWGM-UHFFFAOYSA-N 0 0 210.664 2.097 10 0 BEAERN Cc1cc(Cl)nc(CO)c1Br ZINC000144641868 178071524 /nfs/dbraw/zinc/07/15/24/178071524.db2.gz PXLTWJQATINGOW-UHFFFAOYSA-N 0 0 236.496 2.298 10 0 BEAERN Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ncn1 ZINC000301334562 178101082 /nfs/dbraw/zinc/10/10/82/178101082.db2.gz FVTKYTKFAJRFLG-RTXFEEFZSA-N 0 0 247.342 2.035 10 0 BEAERN Cc1cc(N(CCO)C2CCCC2)ccc1N ZINC000042502302 178101897 /nfs/dbraw/zinc/10/18/97/178101897.db2.gz DTMKLOFGXRWRJL-UHFFFAOYSA-N 0 0 234.343 2.319 10 0 BEAERN COC(=O)[C@@H]1CCc2ncc(C(C)C)n2CC1 ZINC000536960925 398199953 /nfs/dbraw/zinc/19/99/53/398199953.db2.gz SSDRXKKYXQNHFG-SNVBAGLBSA-N 0 0 236.315 2.132 10 0 BEAERN Cc1cc(N)c(NC(=O)C(F)(F)F)cc1C ZINC000036456898 178104068 /nfs/dbraw/zinc/10/40/68/178104068.db2.gz HMTUAOGQPUZPEX-UHFFFAOYSA-N 0 0 232.205 2.386 10 0 BEAERN Cc1nc(-c2ccccc2F)oc1CO ZINC000401168828 398196589 /nfs/dbraw/zinc/19/65/89/398196589.db2.gz WAASJHXIYZIPMS-UHFFFAOYSA-N 0 0 207.204 2.281 10 0 BEAERN Cc1cc(N)ccc1N(CCO)C1CCCC1 ZINC000042502230 178105632 /nfs/dbraw/zinc/10/56/32/178105632.db2.gz JXYHWHHNOVHREY-UHFFFAOYSA-N 0 0 234.343 2.319 10 0 BEAERN Cc1cc(N)ccc1C(=O)N[C@H](C)C(C)C ZINC000044748280 178105667 /nfs/dbraw/zinc/10/56/67/178105667.db2.gz WFGTWQYMRSMAFW-SNVBAGLBSA-N 0 0 220.316 2.352 10 0 BEAERN Cc1cc(N)ccc1NC(=O)CC(F)(F)F ZINC000022150927 178105884 /nfs/dbraw/zinc/10/58/84/178105884.db2.gz OJMPTNDNEOTWEV-UHFFFAOYSA-N 0 0 232.205 2.468 10 0 BEAERN Cc1cc(N)ccc1N[C@H](C)Cn1cccn1 ZINC000042539101 178106701 /nfs/dbraw/zinc/10/67/01/178106701.db2.gz LXVVUVUMGQTFSU-LLVKDONJSA-N 0 0 230.315 2.274 10 0 BEAERN Cc1cc(N)ccc1N[C@@H](C)Cn1cccn1 ZINC000042539098 178107414 /nfs/dbraw/zinc/10/74/14/178107414.db2.gz LXVVUVUMGQTFSU-NSHDSACASA-N 0 0 230.315 2.274 10 0 BEAERN Cc1cc(N)ccc1NC[C@H]1CCCOC1 ZINC000044981814 178107547 /nfs/dbraw/zinc/10/75/47/178107547.db2.gz FFJLHFZTQDMOOA-LLVKDONJSA-N 0 0 220.316 2.416 10 0 BEAERN Cc1cc(N)nc(Cc2ccccc2C)n1 ZINC000050845264 178110164 /nfs/dbraw/zinc/11/01/64/178110164.db2.gz CBDXUJOXASQLFT-UHFFFAOYSA-N 0 0 213.284 2.266 10 0 BEAERN Cc1cc(N)sc1-c1nnc2ccccn21 ZINC000100665115 178111118 /nfs/dbraw/zinc/11/11/18/178111118.db2.gz IPHJJLBIUFBVQG-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN CCC(CC)CC(=O)N(C)C[C@H]1CCCO1 ZINC000127790162 168342318 /nfs/dbraw/zinc/34/23/18/168342318.db2.gz PVFRCIDQNRAVJO-GFCCVEGCSA-N 0 0 227.348 2.450 10 0 BEAERN C[C@H]1CN(C(=O)CCc2ccoc2)CCS1 ZINC000175375780 365547877 /nfs/dbraw/zinc/54/78/77/365547877.db2.gz YIYOWUWJTHTPJG-JTQLQIEISA-N 0 0 239.340 2.176 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ccc(N)nc1 ZINC000616622172 398207299 /nfs/dbraw/zinc/20/72/99/398207299.db2.gz VMGHIUKFPYKHLC-NSHDSACASA-N 0 0 249.314 2.178 10 0 BEAERN Cc1cc(NC(=O)N(C)C[C@@H]2CCCO2)ccn1 ZINC000119648801 178136655 /nfs/dbraw/zinc/13/66/55/178136655.db2.gz HOZDAZINFYFHRC-LBPRGKRZSA-N 0 0 249.314 2.033 10 0 BEAERN CCC(CC)C(=O)Nc1ccc(N)c(O)c1 ZINC000058826035 168341955 /nfs/dbraw/zinc/34/19/55/168341955.db2.gz CETBLBFIXBDKGN-UHFFFAOYSA-N 0 0 222.288 2.349 10 0 BEAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)n(C)n1 ZINC000330213941 178137587 /nfs/dbraw/zinc/13/75/87/178137587.db2.gz LJIZXWAZFFDXGI-MNOVXSKESA-N 0 0 248.330 2.135 10 0 BEAERN Cc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000119448667 178137990 /nfs/dbraw/zinc/13/79/90/178137990.db2.gz MYEIBKHAICZBGZ-QWRGUYRKSA-N 0 0 249.314 2.031 10 0 BEAERN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccco2)n[nH]1 ZINC000049399792 178148440 /nfs/dbraw/zinc/14/84/40/178148440.db2.gz JXIAJCFKNASSEL-IUCAKERBSA-N 0 0 231.255 2.053 10 0 BEAERN Cc1cc(NC(=O)c2cccc(C)c2N)on1 ZINC000019265851 178150064 /nfs/dbraw/zinc/15/00/64/178150064.db2.gz ADJKTDKAOSCDGQ-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2ccccc2F)on1 ZINC000000988216 178151797 /nfs/dbraw/zinc/15/17/97/178151797.db2.gz QJLHSEPFHSODDI-UHFFFAOYSA-N 0 0 220.203 2.374 10 0 BEAERN Cc1cc(NC2(CO)CCCC2)nc(Cl)n1 ZINC000053072779 178153698 /nfs/dbraw/zinc/15/36/98/178153698.db2.gz STRXQMCBANUCPH-UHFFFAOYSA-N 0 0 241.722 2.155 10 0 BEAERN Cc1cc(NCC(=O)NC(C)C)ccc1F ZINC000061096791 178154222 /nfs/dbraw/zinc/15/42/22/178154222.db2.gz APRIHQUASLGJDX-UHFFFAOYSA-N 0 0 224.279 2.071 10 0 BEAERN Cc1cc(NCC[C@H]2CCCO2)nc(C)n1 ZINC000037982109 178162745 /nfs/dbraw/zinc/16/27/45/178162745.db2.gz ZTQWHKTUWJKODL-LLVKDONJSA-N 0 0 221.304 2.074 10 0 BEAERN Cc1cc(NCc2ccncc2)sn1 ZINC000015042031 178174576 /nfs/dbraw/zinc/17/45/76/178174576.db2.gz CDJAYPKYOPGKPP-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CN(Cc1cscn1)C[C@H]1CCC[C@@H](O)C1 ZINC000381116497 398221259 /nfs/dbraw/zinc/22/12/59/398221259.db2.gz HINIRJZINHGIKE-CMPLNLGQSA-N 0 0 240.372 2.126 10 0 BEAERN Cc1cc(N[C@H](C)Cn2cccn2)ccc1N ZINC000042539148 178185895 /nfs/dbraw/zinc/18/58/95/178185895.db2.gz JWNNRLLREIJBSA-LLVKDONJSA-N 0 0 230.315 2.274 10 0 BEAERN O=C(c1nc2ncccc2o1)c1ccccc1 ZINC000075870660 398229428 /nfs/dbraw/zinc/22/94/28/398229428.db2.gz MMOYLQNMHWWUTH-UHFFFAOYSA-N 0 0 224.219 2.454 10 0 BEAERN Cc1cc(ON)ccc1Br ZINC000075602159 178213653 /nfs/dbraw/zinc/21/36/53/178213653.db2.gz GDNYHISSEJNTNI-UHFFFAOYSA-N 0 0 202.051 2.010 10 0 BEAERN O=Cc1csc(-c2ccccc2O)n1 ZINC000014505282 259302146 /nfs/dbraw/zinc/30/21/46/259302146.db2.gz KQXPEMHRIDDMQC-UHFFFAOYSA-N 0 0 205.238 2.328 10 0 BEAERN CC[C@H](c1nccs1)N1CCC(=O)CC1 ZINC000070733801 361745575 /nfs/dbraw/zinc/74/55/75/361745575.db2.gz ISDKFUSFAXNCLC-SNVBAGLBSA-N 0 0 224.329 2.259 10 0 BEAERN CCCC1N=NC(=S)N1CC(F)(F)F ZINC000020589932 538932258 /nfs/dbraw/zinc/93/22/58/538932258.db2.gz XKXFFDOKWFXXDY-UHFFFAOYSA-N 0 0 225.239 2.082 10 0 BEAERN Cc1ccc(Cl)c(NC[C@H](O)CF)c1 ZINC000306641578 361754499 /nfs/dbraw/zinc/75/44/99/361754499.db2.gz QYZNXCAEGDKFBE-MRVPVSSYSA-N 0 0 217.671 2.391 10 0 BEAERN CCOC(=O)Cc1cc(N)c(F)cc1CC ZINC000143479701 361756628 /nfs/dbraw/zinc/75/66/28/361756628.db2.gz BTHGXNOAIWOAEL-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN Cc1cc(Oc2ccccc2N)nc(C)n1 ZINC000037756845 178216176 /nfs/dbraw/zinc/21/61/76/178216176.db2.gz FOLKJHZDEPGEKC-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN C[C@H](Cc1cccs1)N1CCC(=O)CC1 ZINC000070851795 361798586 /nfs/dbraw/zinc/79/85/86/361798586.db2.gz BHRUXOJSXXBXGD-SNVBAGLBSA-N 0 0 223.341 2.344 10 0 BEAERN Cc1ccsc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000076363179 398237249 /nfs/dbraw/zinc/23/72/49/398237249.db2.gz YKMPCJKSADEHOC-UWVGGRQHSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000334967833 398237407 /nfs/dbraw/zinc/23/74/07/398237407.db2.gz NEEHRVBQHHAUSY-AAEUAGOBSA-N 0 0 248.326 2.230 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000334967834 398237652 /nfs/dbraw/zinc/23/76/52/398237652.db2.gz NEEHRVBQHHAUSY-DGCLKSJQSA-N 0 0 248.326 2.230 10 0 BEAERN Cc1cc2n[nH]cc2cc1N[C@@H]1CCOC1 ZINC000276764591 178277319 /nfs/dbraw/zinc/27/73/19/178277319.db2.gz JHXRNJDRCGIZTF-SNVBAGLBSA-N 0 0 217.272 2.072 10 0 BEAERN Cc1cc2c(cc1NC(=O)N[C@@H]1C[C@@H]1C)OCO2 ZINC000183777939 178290718 /nfs/dbraw/zinc/29/07/18/178290718.db2.gz BIAAXZGTPRICQZ-IONNQARKSA-N 0 0 248.282 2.254 10 0 BEAERN Cn1nccc1CNc1cc(F)cc(F)c1F ZINC000061098640 398244410 /nfs/dbraw/zinc/24/44/10/398244410.db2.gz CMCOLZBCUCOPHV-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN CCCCCC(O)=CC(=O)[C@H]1CCOC1 ZINC000229650879 538940189 /nfs/dbraw/zinc/94/01/89/538940189.db2.gz RVZDBDBUPVPADG-JTQLQIEISA-N 0 0 212.289 2.132 10 0 BEAERN Cc1cc2ncccc2c(N)c1N(C)N=O ZINC000077271265 178305790 /nfs/dbraw/zinc/30/57/90/178305790.db2.gz KOVMBPWBTMSKMF-UHFFFAOYSA-N 0 0 216.244 2.243 10 0 in-vitro BEAERN Cc1ccc2cc(C)c(=NN)[nH]c2c1C ZINC000011634017 178296304 /nfs/dbraw/zinc/29/63/04/178296304.db2.gz KNZYQILJZPKMGZ-UHFFFAOYSA-N 0 0 201.273 2.446 10 0 BEAERN Cc1cc[nH]c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000280526036 178310689 /nfs/dbraw/zinc/31/06/89/178310689.db2.gz GGMQRRUMECPUIT-VXGBXAGGSA-N 0 0 248.326 2.107 10 0 BEAERN Cc1ccc(-c2c(N)cccc2O)cn1 ZINC000039117565 178317288 /nfs/dbraw/zinc/31/72/88/178317288.db2.gz SGKDXZLBWNGNNO-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN Cc1ccc(-c2nc(C3CC3)n(N)c2N)cc1 ZINC000052839026 178332659 /nfs/dbraw/zinc/33/26/59/178332659.db2.gz RYEHFTXZHBSVGZ-UHFFFAOYSA-N 0 0 228.299 2.032 10 0 BEAERN Cc1ccc(-c2nc(CNC3CC3)no2)cc1 ZINC000051861475 178336187 /nfs/dbraw/zinc/33/61/87/178336187.db2.gz CYAMUXOXMSRCEC-UHFFFAOYSA-N 0 0 229.283 2.297 10 0 BEAERN Cc1ccc(-c2ncc3c(nc[nH]c3=O)n2)cc1 ZINC000035463045 178338174 /nfs/dbraw/zinc/33/81/74/178338174.db2.gz BWQLUVAPOOCHFZ-UHFFFAOYSA-N 0 0 238.250 2.101 10 0 BEAERN Cc1ccc(-c2nsc(N)n2)cc1C ZINC000037169419 178345050 /nfs/dbraw/zinc/34/50/50/178345050.db2.gz ZLUQYLWKQPLMSW-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CCC(CC)N(C)c1cc(Cl)nc(N)n1 ZINC000080760050 168368986 /nfs/dbraw/zinc/36/89/86/168368986.db2.gz LBARTJFJENIRSV-UHFFFAOYSA-N 0 0 228.727 2.337 10 0 BEAERN Cc1ccc(-n2ccc(=O)c(C)n2)cc1C ZINC000072416587 178346139 /nfs/dbraw/zinc/34/61/39/178346139.db2.gz JZQXCHISZDDRTH-UHFFFAOYSA-N 0 0 214.268 2.158 10 0 BEAERN Cc1ccc(-n2cc3cn[nH]c(=O)c3n2)cc1C ZINC000020272346 178346176 /nfs/dbraw/zinc/34/61/76/178346176.db2.gz NFURYZDGDIATIB-UHFFFAOYSA-N 0 0 240.266 2.138 10 0 BEAERN Cc1ccc(-c2cnn(C)c2N)cc1C ZINC000061681310 178329040 /nfs/dbraw/zinc/32/90/40/178329040.db2.gz NSPYOWDTPKFXJH-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1ccc(-c2csc(N(C)N)n2)cc1 ZINC000082287933 178330555 /nfs/dbraw/zinc/33/05/55/178330555.db2.gz UBKSUTMZZRXHHX-UHFFFAOYSA-N 0 0 219.313 2.428 10 0 BEAERN COC(=O)c1ccc(C)c2c1CCCN2 ZINC000200498812 538949330 /nfs/dbraw/zinc/94/93/30/538949330.db2.gz HKMRKPHMLGNMKW-UHFFFAOYSA-N 0 0 205.257 2.140 10 0 BEAERN Cc1ccc(-n2nnc3cccnc32)cc1C ZINC000169321720 178350622 /nfs/dbraw/zinc/35/06/22/178350622.db2.gz IRSDZMRWBLSCLH-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN Cc1ccc(-n2nnc3cccnc32)cc1 ZINC000139090018 178351210 /nfs/dbraw/zinc/35/12/10/178351210.db2.gz VRSFRMPPXOCSIL-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN OCC[C@@H]1CCN(c2ncc(Cl)cc2F)C1 ZINC000162089411 349561435 /nfs/dbraw/zinc/56/14/35/349561435.db2.gz HNSGPDNNDGOPBA-QMMMGPOBSA-N 0 0 244.697 2.083 10 0 BEAERN Cc1ccc(C(=O)Cn2ccnc2)cc1 ZINC000034224015 178374832 /nfs/dbraw/zinc/37/48/32/178374832.db2.gz YXZGXAFUODARQY-UHFFFAOYSA-N 0 0 200.241 2.074 10 0 BEAERN Cc1ccc(C(=O)N(C)C)cc1OC1CC1 ZINC000095723461 178375498 /nfs/dbraw/zinc/37/54/98/178375498.db2.gz ZYJFBWJQIGMGAX-UHFFFAOYSA-N 0 0 219.284 2.238 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cocn1 ZINC000616612534 349563136 /nfs/dbraw/zinc/56/31/36/349563136.db2.gz KLYQJAZWAPBRJG-SNVBAGLBSA-N 0 0 224.260 2.358 10 0 BEAERN Cc1ccc(C(=O)N2CCCC[C@@H](CO)C2)cc1 ZINC000378211593 178385447 /nfs/dbraw/zinc/38/54/47/178385447.db2.gz QYTBCHMEDUOKAQ-CYBMUJFWSA-N 0 0 247.338 2.230 10 0 BEAERN CCC(CC)N(CCO)c1cc(C)nc(C)n1 ZINC000042525706 168373476 /nfs/dbraw/zinc/37/34/76/168373476.db2.gz NUGUTRGUHIUJNT-UHFFFAOYSA-N 0 0 237.347 2.081 10 0 BEAERN Cc1ccc(C(=O)C(F)(F)F)cc1O ZINC000039055351 178371663 /nfs/dbraw/zinc/37/16/63/178371663.db2.gz YUIHLCYGFMRMPL-UHFFFAOYSA-N 0 0 204.147 2.446 10 0 BEAERN CCC(CC)N(CCO)C(=O)c1ccc(C)o1 ZINC000042509297 168374162 /nfs/dbraw/zinc/37/41/62/168374162.db2.gz FPVAFTGNJAPANC-UHFFFAOYSA-N 0 0 239.315 2.211 10 0 BEAERN CCC(CC)N(CCO)c1nc(C)cc(C)n1 ZINC000042525690 168374226 /nfs/dbraw/zinc/37/42/26/168374226.db2.gz CKQYPHRHPRTEEP-UHFFFAOYSA-N 0 0 237.347 2.081 10 0 BEAERN CCOC(=O)c1cc2cccc(C)c2c(=O)[nH]1 ZINC000204483674 538953788 /nfs/dbraw/zinc/95/37/88/538953788.db2.gz HRHDAIBSIWTLOM-UHFFFAOYSA-N 0 0 231.251 2.013 10 0 BEAERN COC(=O)Cc1[nH]c2ccc(F)cc2c1C ZINC000259723027 349587016 /nfs/dbraw/zinc/58/70/16/349587016.db2.gz QETICJIJAXAOJM-UHFFFAOYSA-N 0 0 221.231 2.331 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ccno1 ZINC000616613087 349587700 /nfs/dbraw/zinc/58/77/00/349587700.db2.gz OVCGTITWYNLVGD-SECBINFHSA-N 0 0 224.260 2.358 10 0 BEAERN CC[N@@H+]1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616613036 349603836 /nfs/dbraw/zinc/60/38/36/349603836.db2.gz HHJHSEMCDNGJIU-JTQLQIEISA-N 0 0 219.284 2.194 10 0 BEAERN CC(C)C1(NCc2nnsc2Cl)CC1 ZINC000378871588 346849847 /nfs/dbraw/zinc/84/98/47/346849847.db2.gz OYWLBCBUGNNAEI-UHFFFAOYSA-N 0 0 231.752 2.470 10 0 BEAERN Nc1n[nH]c(=S)n1CC1CCCCC1 ZINC000070881520 361833823 /nfs/dbraw/zinc/83/38/23/361833823.db2.gz BUNBZGHXPIEAJM-UHFFFAOYSA-N 0 0 212.322 2.103 10 0 BEAERN CCC(CC)NC(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000119970226 168378812 /nfs/dbraw/zinc/37/88/12/168378812.db2.gz KPJRQXAJMQNUEX-CMPLNLGQSA-N 0 0 242.363 2.120 10 0 BEAERN CC(=O)[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000405571539 538960500 /nfs/dbraw/zinc/96/05/00/538960500.db2.gz BHFXTRVWKGWHNU-ONGXEEELSA-N 0 0 241.331 2.469 10 0 BEAERN C[C@H](O)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000215937251 342701513 /nfs/dbraw/zinc/70/15/13/342701513.db2.gz YCTHTGCKEXSUBT-QUBYGPBYSA-N 0 0 218.655 2.283 10 0 BEAERN c1nc(CN[C@H]2CCOc3ccccc32)co1 ZINC000182064171 538961738 /nfs/dbraw/zinc/96/17/38/538961738.db2.gz RGRMDLKHIBLOFK-LBPRGKRZSA-N 0 0 230.267 2.288 10 0 BEAERN CCCC1(c2cccc(OC)c2)CN(C(N)=O)C1 ZINC000002016490 342714367 /nfs/dbraw/zinc/71/43/67/342714367.db2.gz FNHLPBGAHMPTRT-UHFFFAOYSA-N 0 0 248.326 2.127 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000002035248 342714973 /nfs/dbraw/zinc/71/49/73/342714973.db2.gz BLRQXMHAGNJVHO-GFCCVEGCSA-N 0 0 221.300 2.228 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1C ZINC000075522219 178428815 /nfs/dbraw/zinc/42/88/15/178428815.db2.gz ZOUUAKIAZCNVAZ-CMPLNLGQSA-N 0 0 203.285 2.442 10 0 BEAERN CCOC(=O)Cc1cc(N)ccc1Cl ZINC000144649397 342748375 /nfs/dbraw/zinc/74/83/75/342748375.db2.gz ONWURVWIXHUELA-UHFFFAOYSA-N 0 0 213.664 2.028 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1O ZINC000020362000 178429657 /nfs/dbraw/zinc/42/96/57/178429657.db2.gz HOYXANTZVIPXPO-SNVBAGLBSA-N 0 0 221.300 2.475 10 0 BEAERN C[C@H]1C[C@H](C(=O)NC2(CO)CC2)CC(C)(C)C1 ZINC000182898805 538964793 /nfs/dbraw/zinc/96/47/93/538964793.db2.gz FQKUQSQSBRZJGL-QWRGUYRKSA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)c1noc(COc2ccccc2O)n1 ZINC000003161238 342733724 /nfs/dbraw/zinc/73/37/24/342733724.db2.gz VLKFFHCFBSDUFA-UHFFFAOYSA-N 0 0 234.255 2.478 10 0 BEAERN CCn1ncc2c1nccc2Br ZINC000157498833 342734204 /nfs/dbraw/zinc/73/42/04/342734204.db2.gz JKSJYSYMVLLHMH-UHFFFAOYSA-N 0 0 226.077 2.214 10 0 BEAERN O=C1Nc2ccncc2N[C@H]1c1ccccc1 ZINC000005162575 398280417 /nfs/dbraw/zinc/28/04/17/398280417.db2.gz KLAZTVZJRMKRLN-LBPRGKRZSA-N 0 0 225.251 2.187 10 0 BEAERN COC(CC[C@H](O)CCC(F)(F)F)OC ZINC000216120504 342754513 /nfs/dbraw/zinc/75/45/13/342754513.db2.gz SLNACYWQHGJYMR-ZETCQYMHSA-N 0 0 230.226 2.089 10 0 BEAERN CCNc1ccc(C)cc1C(=O)Nc1cn[nH]c1 ZINC000053001247 1172007374 /nfs/dbraw/zinc/00/73/74/1172007374.db2.gz SEKZUIKRHYUKHO-UHFFFAOYSA-N 0 0 244.298 2.402 10 0 BEAERN COC(OC)c1cnc2ccc(O)cc2c1 ZINC000145097640 342758285 /nfs/dbraw/zinc/75/82/85/342758285.db2.gz RHJKGNFNNNWZQW-UHFFFAOYSA-N 0 0 219.240 2.232 10 0 BEAERN COC(=O)c1ccc(OC)nc1SC(C)C ZINC000145303548 342760872 /nfs/dbraw/zinc/76/08/72/342760872.db2.gz TVTIOCMNUJWPHH-UHFFFAOYSA-N 0 0 241.312 2.377 10 0 BEAERN Fc1ccc(-c2cc3n(n2)CCOC3)cc1 ZINC000145366720 342761283 /nfs/dbraw/zinc/76/12/83/342761283.db2.gz RSRMVDDXXKWVFV-UHFFFAOYSA-N 0 0 218.231 2.219 10 0 BEAERN CC(C)n1nccc1-c1ncccc1CO ZINC000145972189 342764899 /nfs/dbraw/zinc/76/48/99/342764899.db2.gz FXKDDCBFUOGTQM-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN CN(C)c1ccc(CC[C@@H](O)C2CC2)cc1 ZINC000146177959 342767106 /nfs/dbraw/zinc/76/71/06/342767106.db2.gz DIKQLKHBEBXXCV-CQSZACIVSA-N 0 0 219.328 2.456 10 0 BEAERN CCOC(=O)[C@H](OCC)c1ccc(O)cc1 ZINC000146325108 342767906 /nfs/dbraw/zinc/76/79/06/342767906.db2.gz GQDFDWIWTNANLY-LLVKDONJSA-N 0 0 224.256 2.033 10 0 BEAERN Nc1ccc(Cl)c(F)c1NCCF ZINC000306660263 361880948 /nfs/dbraw/zinc/88/09/48/361880948.db2.gz QCDJRLHNJJVYNG-UHFFFAOYSA-N 0 0 206.623 2.443 10 0 BEAERN CCC(CC)NC(=O)c1sccc1N ZINC000040292327 168387463 /nfs/dbraw/zinc/38/74/63/168387463.db2.gz FXPMOKLDSJZXQS-UHFFFAOYSA-N 0 0 212.318 2.249 10 0 BEAERN COC(=O)c1cc(C(C)(C)O)ccc1Cl ZINC000146722783 342771175 /nfs/dbraw/zinc/77/11/75/342771175.db2.gz JUEZCHFXTJQKMH-UHFFFAOYSA-N 0 0 228.675 2.354 10 0 BEAERN CSc1[nH]c(=S)nc2[n-]nc(C)c21 ZINC000005891681 342771309 /nfs/dbraw/zinc/77/13/09/342771309.db2.gz WCWHUSGSYQLCIV-UHFFFAOYSA-N 0 0 212.303 2.046 10 0 BEAERN C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000139027013 342776918 /nfs/dbraw/zinc/77/69/18/342776918.db2.gz VEEUIJVNQJDUKD-SFYZADRCSA-N 0 0 203.257 2.354 10 0 BEAERN O=C([O-])[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000008698869 342802265 /nfs/dbraw/zinc/80/22/65/342802265.db2.gz SWPHLTJACFTRIP-GHMZBOCLSA-N 0 0 223.272 2.013 10 0 BEAERN O[C@H]1C=C(COCc2ccccc2)CC1 ZINC000006575104 342779668 /nfs/dbraw/zinc/77/96/68/342779668.db2.gz XBFCYLMBPFWJAF-CYBMUJFWSA-N 0 0 204.269 2.284 10 0 BEAERN COC(=O)C12CCC(CC1)N2Cc1ccccc1 ZINC000002524301 342782457 /nfs/dbraw/zinc/78/24/57/342782457.db2.gz BALUDXHCIJHQFN-UHFFFAOYSA-N 0 0 245.322 2.357 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cncnc1 ZINC000616613188 349621927 /nfs/dbraw/zinc/62/19/27/349621927.db2.gz PTLHTUGCHQTPQJ-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN CCOC(=O)c1cc(F)cc([C@H](C)O)c1 ZINC000148343500 342790646 /nfs/dbraw/zinc/79/06/46/342790646.db2.gz FHOOGLDIYMJIQQ-ZETCQYMHSA-N 0 0 212.220 2.056 10 0 BEAERN CCO[P@@](=O)(C(C)=O)c1ccccc1 ZINC000149086945 342792935 /nfs/dbraw/zinc/79/29/35/342792935.db2.gz ZUBPKPWKISZVLH-AWEZNQCLSA-N 0 0 212.185 2.173 10 0 BEAERN COC(=O)c1c(C)c2[nH]ccc2cc1F ZINC000149326944 342793594 /nfs/dbraw/zinc/79/35/94/342793594.db2.gz PFDISZUFMYIFJO-UHFFFAOYSA-N 0 0 207.204 2.402 10 0 BEAERN N#C[C@@H](NCc1ccccc1)C1(F)CCOCC1 ZINC000149849399 342794798 /nfs/dbraw/zinc/79/47/98/342794798.db2.gz UAVRYOSCIKDTCD-CYBMUJFWSA-N 0 0 248.301 2.187 10 0 BEAERN N#C[C@H](NCc1ccccc1)[C@H]1CCCCO1 ZINC000149827298 342794841 /nfs/dbraw/zinc/79/48/41/342794841.db2.gz MLWXFRGPXWBEQL-UONOGXRCSA-N 0 0 230.311 2.237 10 0 BEAERN CCOC(=O)C[N@H+](CC1CCC1)C(C)(C)C ZINC000130782039 323012082 /nfs/dbraw/zinc/01/20/82/323012082.db2.gz UNLOKRQZFPWVRC-UHFFFAOYSA-N 0 0 227.348 2.450 10 0 BEAERN COC(=O)CCC(=O)c1c(C)cccc1C ZINC000126581219 344002853 /nfs/dbraw/zinc/00/28/53/344002853.db2.gz PCOHEKKWWOVBQK-UHFFFAOYSA-N 0 0 220.268 2.439 10 0 BEAERN Cc1ccc(C(=O)OC2CCC2)cc1N ZINC000050929102 178442852 /nfs/dbraw/zinc/44/28/52/178442852.db2.gz USQJRESJBMLGHO-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN C[C@@H]1Oc2cc(F)c(Cl)cc2[C@H]1O ZINC000134396489 342821908 /nfs/dbraw/zinc/82/19/08/342821908.db2.gz YXWKEVMNAUHHJN-IGJIYHIXSA-N 0 0 202.612 2.293 10 0 BEAERN O=C(CC1CCOCC1)NCCC1=CCCC1 ZINC000131437416 323012911 /nfs/dbraw/zinc/01/29/11/323012911.db2.gz SLZZOHJXKIREND-UHFFFAOYSA-N 0 0 237.343 2.420 10 0 BEAERN CCC(CC)Nc1nccnc1N(C)C ZINC000302171255 168395260 /nfs/dbraw/zinc/39/52/60/168395260.db2.gz AIBNAFRBHXNSNY-UHFFFAOYSA-N 0 0 208.309 2.143 10 0 BEAERN COCc1cc(N[C@H](C)C(C)C)ncn1 ZINC000380259757 538987790 /nfs/dbraw/zinc/98/77/90/538987790.db2.gz RDAPSGIMZVMMHR-SECBINFHSA-N 0 0 209.293 2.079 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@@H]1CCCOC1 ZINC000071014007 361930839 /nfs/dbraw/zinc/93/08/39/361930839.db2.gz ZZYFFTGRFJELEF-GFCCVEGCSA-N 0 0 207.273 2.269 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCC1(C)C ZINC000191205185 538991787 /nfs/dbraw/zinc/99/17/87/538991787.db2.gz JUGLVHXMJAYSRE-GHMZBOCLSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC1(C)C ZINC000191205199 538991942 /nfs/dbraw/zinc/99/19/42/538991942.db2.gz JUGLVHXMJAYSRE-WDEREUQCSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1(C)CCCC1 ZINC000191519649 538992293 /nfs/dbraw/zinc/99/22/93/538992293.db2.gz XZMWZSNUBPXBFT-NWDGAFQWSA-N 0 0 239.359 2.498 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000191519671 538992492 /nfs/dbraw/zinc/99/24/92/538992492.db2.gz XZMWZSNUBPXBFT-RYUDHWBXSA-N 0 0 239.359 2.498 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000191519661 538992617 /nfs/dbraw/zinc/99/26/17/538992617.db2.gz XZMWZSNUBPXBFT-NEPJUHHUSA-N 0 0 239.359 2.498 10 0 BEAERN CCC1(NC(=O)[C@H]2CCCO[C@@H]2C)CCC1 ZINC000188771790 538979720 /nfs/dbraw/zinc/97/97/20/538979720.db2.gz HENSIEAZDFHRIA-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN Cc1nnc(Cl)n1-c1ccccc1F ZINC000071053033 361937710 /nfs/dbraw/zinc/93/77/10/361937710.db2.gz HDDKZUCBXUIZKJ-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN Cc1nnc(Cl)n1Cc1cccs1 ZINC000071054146 361938480 /nfs/dbraw/zinc/93/84/80/361938480.db2.gz OEFZULNDESVCHC-UHFFFAOYSA-N 0 0 213.693 2.350 10 0 BEAERN Cc1cc(-c2nnc(Cl)s2)on1 ZINC000071051108 361941231 /nfs/dbraw/zinc/94/12/31/361941231.db2.gz VMFWJBVCGFHMOY-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CCC(CC)[C@@H](C)NC(=O)c1ncccc1O ZINC000104442052 168399665 /nfs/dbraw/zinc/39/96/65/168399665.db2.gz YBCNFVMJWNLPRO-SECBINFHSA-N 0 0 236.315 2.342 10 0 BEAERN CCCC[C@H](c1ccc(F)cc1)S(N)(=O)=O ZINC000050350572 539010747 /nfs/dbraw/zinc/01/07/47/539010747.db2.gz WUCOUQSUSYQMSK-LLVKDONJSA-N 0 0 245.319 2.346 10 0 BEAERN NS(=O)(=O)[C@@H](c1cccs1)C1CCCC1 ZINC000050349702 539010801 /nfs/dbraw/zinc/01/08/01/539010801.db2.gz RBKGJXXPBRRINY-SNVBAGLBSA-N 0 0 245.369 2.268 10 0 BEAERN CC(C)C[C@H](c1ccccc1)S(N)(=O)=O ZINC000050350124 539010802 /nfs/dbraw/zinc/01/08/02/539010802.db2.gz KYHHPKAEEMPFLK-LLVKDONJSA-N 0 0 227.329 2.062 10 0 BEAERN C[C@@H](c1ccc2ccccc2c1)S(N)(=O)=O ZINC000050350328 539010881 /nfs/dbraw/zinc/01/08/81/539010881.db2.gz NFKZKAHQYRGCRT-VIFPVBQESA-N 0 0 235.308 2.189 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCSC[C@H](C)C1 ZINC000192285922 538994480 /nfs/dbraw/zinc/99/44/80/538994480.db2.gz JPGRRKFGCKDKDB-MNOVXSKESA-N 0 0 244.404 2.425 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCSC[C@H](C)C1 ZINC000192285931 538994506 /nfs/dbraw/zinc/99/45/06/538994506.db2.gz JPGRRKFGCKDKDB-GHMZBOCLSA-N 0 0 244.404 2.425 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000192285928 538994640 /nfs/dbraw/zinc/99/46/40/538994640.db2.gz JPGRRKFGCKDKDB-QWRGUYRKSA-N 0 0 244.404 2.425 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1coc(C2CCC2)n1 ZINC000192508502 538995306 /nfs/dbraw/zinc/99/53/06/538995306.db2.gz VKCDGBWIMYBCQW-IONNQARKSA-N 0 0 220.272 2.080 10 0 BEAERN O=C[C@H]1CC[C@@H](O[C@@H]2CCCCO2)CC1 ZINC000382706625 361978156 /nfs/dbraw/zinc/97/81/56/361978156.db2.gz UBAIPBDQUUKELJ-GRYCIOLGSA-N 0 0 212.289 2.287 10 0 BEAERN S=C1N=NC(c2cnoc2)N1c1ccccc1 ZINC000725265554 539026900 /nfs/dbraw/zinc/02/69/00/539026900.db2.gz YDGIDPNUHBDBGY-UHFFFAOYSA-N 0 0 244.279 2.211 10 0 BEAERN COc1nn(C)cc1N[C@@H]1CC[C@H]1C(C)C ZINC000390665594 539027048 /nfs/dbraw/zinc/02/70/48/539027048.db2.gz UFGKRCSSWFJBPJ-VHSXEESVSA-N 0 0 223.320 2.275 10 0 BEAERN CC(F)(F)C(=O)C1=C(O)CCC2(CC2)C1 ZINC000710163483 539027812 /nfs/dbraw/zinc/02/78/12/539027812.db2.gz WGXLFJCILQAIFX-ZETCQYMHSA-N 0 0 216.227 2.360 10 0 BEAERN COC1CC(O)(c2sccc2Cl)C1 ZINC000229926497 342855706 /nfs/dbraw/zinc/85/57/06/342855706.db2.gz QXZXEEBEMPOHDU-UHFFFAOYSA-N 0 0 218.705 2.398 10 0 BEAERN Cc1nc(C2CCC(F)(F)CC2)n[nH]1 ZINC000127097590 342845962 /nfs/dbraw/zinc/84/59/62/342845962.db2.gz UQXFHRTZFONMIV-UHFFFAOYSA-N 0 0 201.220 2.406 10 0 BEAERN CCOC(=O)N1CC[C@H](C(F)(F)F)C1 ZINC000308508597 342846367 /nfs/dbraw/zinc/84/63/67/342846367.db2.gz AZIBZQSNMXSILC-LURJTMIESA-N 0 0 211.183 2.027 10 0 BEAERN C[C@H]1OCC[C@]1(O)Cc1ccc(Cl)s1 ZINC000134434866 342854185 /nfs/dbraw/zinc/85/41/85/342854185.db2.gz DPLKQYRZNFCVTN-XCBNKYQSSA-N 0 0 232.732 2.484 10 0 BEAERN C[C@@H]1OCC[C@]1(O)CCc1cccs1 ZINC000134435165 342854278 /nfs/dbraw/zinc/85/42/78/342854278.db2.gz QVVAFOJIUAALDT-GXSJLCMTSA-N 0 0 212.314 2.221 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O ZINC000219379541 342860856 /nfs/dbraw/zinc/86/08/56/342860856.db2.gz CBZNOKAFOMSSLW-OPRDCNLKSA-N 0 0 229.320 2.061 10 0 BEAERN O=c1cncc(-c2sccc2Cl)[nH]1 ZINC000229973129 342861935 /nfs/dbraw/zinc/86/19/35/342861935.db2.gz NAUCWOSXTFVEEW-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN CC[C@H](C)c1nc2c(c(N)n1)CSC2 ZINC000134715008 342878550 /nfs/dbraw/zinc/87/85/50/342878550.db2.gz AJUYRWJPYBZHCM-LURJTMIESA-N 0 0 209.318 2.319 10 0 BEAERN C[C@H](N)c1nnc([C@@]2(C)CCCS2)s1 ZINC000164993392 342864147 /nfs/dbraw/zinc/86/41/47/342864147.db2.gz UYNCQRMAXFWFDD-IMTBSYHQSA-N 0 0 229.374 2.300 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@H]1CCO[C@@H]1C ZINC000134562648 342866034 /nfs/dbraw/zinc/86/60/34/342866034.db2.gz JLLYNIDJMGFROP-PWSUYJOCSA-N 0 0 207.273 2.267 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@@H]1CCO[C@H]1C ZINC000134562670 342866211 /nfs/dbraw/zinc/86/62/11/342866211.db2.gz JLLYNIDJMGFROP-CMPLNLGQSA-N 0 0 207.273 2.267 10 0 BEAERN C[C@H]1OCC[C@H]1N(C)c1ccc(C=O)s1 ZINC000134720582 342878641 /nfs/dbraw/zinc/87/86/41/342878641.db2.gz DYMNWCROYOUJBO-PSASIEDQSA-N 0 0 225.313 2.174 10 0 BEAERN COc1ccc([C@H](NO)C(F)(F)F)cc1 ZINC000308752786 342867652 /nfs/dbraw/zinc/86/76/52/342867652.db2.gz PWVWSGHQDWABII-QMMMGPOBSA-N 0 0 221.178 2.277 10 0 BEAERN O=C(CCC1CCCC1)N[C@H]1CCC[C@@H](O)C1 ZINC000077102472 398306271 /nfs/dbraw/zinc/30/62/71/398306271.db2.gz JACFKLSDMGJYPY-QWHCGFSZSA-N 0 0 239.359 2.377 10 0 BEAERN CCc1csc(N[C@@H]2CCO[C@H]2C)n1 ZINC000134573585 342869419 /nfs/dbraw/zinc/86/94/19/342869419.db2.gz UNMKKEMSVQJLAD-IONNQARKSA-N 0 0 212.318 2.295 10 0 BEAERN CCc1c[nH]c(=S)n1[C@H]1CCO[C@@H]1C ZINC000134582119 342870977 /nfs/dbraw/zinc/87/09/77/342870977.db2.gz YTVFWGUNGZLKPN-APPZFPTMSA-N 0 0 212.318 2.084 10 0 BEAERN O=C1CSCc2cc(F)cc(F)c21 ZINC000165046844 342872371 /nfs/dbraw/zinc/87/23/71/342872371.db2.gz LEMTTYHIXFVJQV-UHFFFAOYSA-N 0 0 200.209 2.394 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@H]1CCO[C@@H]1C ZINC000134593906 342872418 /nfs/dbraw/zinc/87/24/18/342872418.db2.gz PRVIIUHHIKYRLU-SFYZADRCSA-N 0 0 229.711 2.405 10 0 BEAERN Clc1csc(NCCc2c[nH]cn2)n1 ZINC000165057502 342872503 /nfs/dbraw/zinc/87/25/03/342872503.db2.gz YKBFIBKBHNOVRQ-UHFFFAOYSA-N 0 0 228.708 2.174 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165080493 342873837 /nfs/dbraw/zinc/87/38/37/342873837.db2.gz HOULILQKHFRPLJ-RITPCOANSA-N 0 0 218.709 2.386 10 0 BEAERN Cc1ccc(C[C@@H]2CSC[C@@H]2O)cc1 ZINC000134655355 342875375 /nfs/dbraw/zinc/87/53/75/342875375.db2.gz QBVMDQPZLNNSGR-NEPJUHHUSA-N 0 0 208.326 2.261 10 0 BEAERN O[C@@H]1CSC[C@@H]1CCc1cccs1 ZINC000134656397 342875405 /nfs/dbraw/zinc/87/54/05/342875405.db2.gz KAXLDGMLMFZFTB-WCBMZHEXSA-N 0 0 214.355 2.405 10 0 BEAERN Cc1ccccc1C[C@H]1CSC[C@H]1O ZINC000134663946 342875852 /nfs/dbraw/zinc/87/58/52/342875852.db2.gz KWEWWXDNSSDPKU-NWDGAFQWSA-N 0 0 208.326 2.261 10 0 BEAERN O[C@@H]1CSC[C@H]1Cc1ccccc1F ZINC000134669651 342876590 /nfs/dbraw/zinc/87/65/90/342876590.db2.gz ODSQPXQNNNLBCN-MWLCHTKSSA-N 0 0 212.289 2.092 10 0 BEAERN O=Cc1cc2c(cc1Br)OCC2 ZINC000219547077 342876671 /nfs/dbraw/zinc/87/66/71/342876671.db2.gz IYFDRESPFOFQJK-UHFFFAOYSA-N 0 0 227.057 2.197 10 0 BEAERN CCNc1cccnc1Br ZINC000233672280 342877098 /nfs/dbraw/zinc/87/70/98/342877098.db2.gz DWNINWUSZSROLB-UHFFFAOYSA-N 0 0 201.067 2.276 10 0 BEAERN ClC(Cl)=CCNc1ccc(Cl)nn1 ZINC000407123897 342894628 /nfs/dbraw/zinc/89/46/28/342894628.db2.gz VGNMIIGFXFRTRI-UHFFFAOYSA-N 0 0 238.505 2.283 10 0 BEAERN COC(=O)CSc1ccc(N)cc1Cl ZINC000034485396 342881254 /nfs/dbraw/zinc/88/12/54/342881254.db2.gz APLFTFMYISSSBI-UHFFFAOYSA-N 0 0 231.704 2.187 10 0 BEAERN CCOC1CC(O)(c2sccc2C)C1 ZINC000233773291 342881687 /nfs/dbraw/zinc/88/16/87/342881687.db2.gz ZBTLWTTWWMREAI-UHFFFAOYSA-N 0 0 212.314 2.443 10 0 BEAERN CCOc1c(N)cc(N)c(Cl)c1F ZINC000233779914 342881950 /nfs/dbraw/zinc/88/19/50/342881950.db2.gz XEPPQZOKLBNTPY-UHFFFAOYSA-N 0 0 204.632 2.042 10 0 BEAERN CNc1ncnc(NCc2ccccc2)c1OC ZINC000134813414 342893272 /nfs/dbraw/zinc/89/32/72/342893272.db2.gz AWRHDBXFQFWZED-UHFFFAOYSA-N 0 0 244.298 2.139 10 0 BEAERN COc1cc2c(c(Br)c1)OCC2=O ZINC000133097978 398322199 /nfs/dbraw/zinc/32/21/99/398322199.db2.gz QCYIFIRJUQKWOL-UHFFFAOYSA-N 0 0 243.056 2.033 10 0 BEAERN COc1ccc(C(F)(F)F)c(C(C)=O)c1N ZINC000309195565 342907590 /nfs/dbraw/zinc/90/75/90/342907590.db2.gz SKDUICRNMPKORZ-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN C[C@H]1CCCN1c1ncc(N)cc1Cl ZINC000235582908 344009107 /nfs/dbraw/zinc/00/91/07/344009107.db2.gz ZPZGRAVDIZGXCN-ZETCQYMHSA-N 0 0 211.696 2.306 10 0 BEAERN Nc1ccc(NCC=C(Cl)Cl)cn1 ZINC000407269622 342911342 /nfs/dbraw/zinc/91/13/42/342911342.db2.gz RHVWCMGVVZOFDJ-UHFFFAOYSA-N 0 0 218.087 2.225 10 0 BEAERN COC(=O)c1ccc(-c2ccc(CO)cc2)o1 ZINC000219777627 342913446 /nfs/dbraw/zinc/91/34/46/342913446.db2.gz XJMXJGXEXVKTFB-UHFFFAOYSA-N 0 0 232.235 2.226 10 0 BEAERN N[C@@H](c1nccs1)c1ccc(F)cc1 ZINC000058432207 398324385 /nfs/dbraw/zinc/32/43/85/398324385.db2.gz TUDAFFVVKOJZGO-SECBINFHSA-N 0 0 208.261 2.330 10 0 BEAERN CC(C)(C)OC(=O)NCC1CCC(C)(O)CC1 ZINC000218124331 398325673 /nfs/dbraw/zinc/32/56/73/398325673.db2.gz DLULOOFOUJIUAT-UHFFFAOYSA-N 0 0 243.347 2.452 10 0 BEAERN CCOC(=O)[C@H](C)c1ccc(Cl)nc1 ZINC000116392626 342925857 /nfs/dbraw/zinc/92/58/57/342925857.db2.gz SIXCRQRCXMLIFG-SSDOTTSWSA-N 0 0 213.664 2.402 10 0 BEAERN CC[C@@H]1CN(C(=O)CCCSC)C[C@H](C)O1 ZINC000134906004 342926709 /nfs/dbraw/zinc/92/67/09/342926709.db2.gz FAGQFINAFXMAGK-WDEREUQCSA-N 0 0 245.388 2.156 10 0 BEAERN CC[C@H]1CN(C(=O)CCCSC)C[C@@H](C)O1 ZINC000134906065 342926948 /nfs/dbraw/zinc/92/69/48/342926948.db2.gz FAGQFINAFXMAGK-MNOVXSKESA-N 0 0 245.388 2.156 10 0 BEAERN Nc1cccnc1NCC=C(Cl)Cl ZINC000407276824 342914266 /nfs/dbraw/zinc/91/42/66/342914266.db2.gz ZCGBZDSVYMNKIZ-UHFFFAOYSA-N 0 0 218.087 2.395 10 0 BEAERN CC[C@@H](C)C(=O)Nc1nc(C)cc(Cl)n1 ZINC000233972565 342916483 /nfs/dbraw/zinc/91/64/83/342916483.db2.gz RCZGJRWKJCYPAD-ZCFIWIBFSA-N 0 0 227.695 2.423 10 0 BEAERN Cc1nn2ccc(Cl)nc2c1Cl ZINC000575432253 398327840 /nfs/dbraw/zinc/32/78/40/398327840.db2.gz WFZHLWVYQMIJJH-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN COC(=O)c1csc(NC2CCCC2)n1 ZINC000167695654 346890429 /nfs/dbraw/zinc/89/04/29/346890429.db2.gz RQGYMTYORRQKJY-UHFFFAOYSA-N 0 0 226.301 2.284 10 0 BEAERN CC1CC(C(=O)N[C@@H]2CCc3cc(N)ccc32)C1 ZINC000584242659 344014109 /nfs/dbraw/zinc/01/41/09/344014109.db2.gz BLPHVSHCXZTMOQ-PFMWSLTASA-N 0 0 244.338 2.418 10 0 BEAERN CCN(C)c1ccc(C(N)=S)c(Cl)c1 ZINC000061849212 398344499 /nfs/dbraw/zinc/34/44/99/398344499.db2.gz NXCGQGCDWGFHIL-UHFFFAOYSA-N 0 0 228.748 2.430 10 0 BEAERN CC[C@H](O)c1cccc(Br)n1 ZINC000147495110 398344904 /nfs/dbraw/zinc/34/49/04/398344904.db2.gz URUWUNGOKOVELO-ZETCQYMHSA-N 0 0 216.078 2.288 10 0 BEAERN O=CC1CCN(c2ccc(F)cc2)CC1 ZINC000117195193 342949528 /nfs/dbraw/zinc/94/95/28/342949528.db2.gz DFVCFTSUZFDERG-UHFFFAOYSA-N 0 0 207.248 2.241 10 0 BEAERN COc1cc(C)nc(N[C@H](C)CC2CC2)n1 ZINC000162419294 536704713 /nfs/dbraw/zinc/70/47/13/536704713.db2.gz FHPZWJAZNCJXFD-MRVPVSSYSA-N 0 0 221.304 2.394 10 0 BEAERN CC[C@@]1(C)COCCN1C(=O)OC(C)C ZINC000496268823 529533139 /nfs/dbraw/zinc/53/31/39/529533139.db2.gz XRXYQDIPDHJWPE-NSHDSACASA-N 0 0 215.293 2.032 10 0 BEAERN Nc1cc(F)ccc1NCc1cccnc1 ZINC000020135510 342971100 /nfs/dbraw/zinc/97/11/00/342971100.db2.gz YUWSPSBKMFYTKG-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000220107760 344021173 /nfs/dbraw/zinc/02/11/73/344021173.db2.gz LSHLBNZDUTUOLI-LLVKDONJSA-N 0 0 205.257 2.152 10 0 BEAERN N#C[C@@H](F)c1ccc(Br)cn1 ZINC000216812361 342978171 /nfs/dbraw/zinc/97/81/71/342978171.db2.gz MVKUIAMMJZRCSH-ZCFIWIBFSA-N 0 0 215.025 2.378 10 0 BEAERN CC/C=C1\N=C(c2ccccc2)OC1=O ZINC000036438628 342999943 /nfs/dbraw/zinc/99/99/43/342999943.db2.gz RSZFFQBCJXNZEM-POHAHGRESA-N 0 0 201.225 2.284 10 0 BEAERN COc1cc([S@@](C)=O)ccc1Br ZINC000117570038 343004640 /nfs/dbraw/zinc/00/46/40/343004640.db2.gz CIOFHAXKFWMRLU-LBPRGKRZSA-N 0 0 249.129 2.195 10 0 BEAERN CCC(F)(F)CN1CCCC[C@H]1C(=O)OC ZINC000602759266 349732459 /nfs/dbraw/zinc/73/24/59/349732459.db2.gz QINOWRXIGMRHDI-VIFPVBQESA-N 0 0 235.274 2.059 10 0 BEAERN Nc1cc2ncnc(Nc3ccccc3)c2cn1 ZINC000021289391 343008781 /nfs/dbraw/zinc/00/87/81/343008781.db2.gz PFOCXCZOPREBSG-UHFFFAOYSA-N 0 0 237.266 2.351 10 0 BEAERN CC(C)C[C@@H](C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000360951876 187217585 /nfs/dbraw/zinc/21/75/85/187217585.db2.gz UHHSRKIOSKSGHE-GHMZBOCLSA-N 0 0 229.364 2.192 10 0 BEAERN Cc1nc([C@H](C)NC(=O)N[C@H]2C[C@@H]2C)cs1 ZINC000408098800 344023842 /nfs/dbraw/zinc/02/38/42/344023842.db2.gz HNCRAWVDGBIFHC-ZKWXMUAHSA-N 0 0 239.344 2.220 10 0 BEAERN CCOC(OCC)[C@H](C)[C@H](C)OCC ZINC000036467126 343014789 /nfs/dbraw/zinc/01/47/89/343014789.db2.gz BWDYLUMZXQQYHK-ZJUUUORDSA-N 0 0 204.310 2.447 10 0 BEAERN CCCC(=O)CC(=O)OCc1ccccc1 ZINC000138788798 343025305 /nfs/dbraw/zinc/02/53/05/343025305.db2.gz WUYMOJPTGIATNR-UHFFFAOYSA-N 0 0 220.268 2.489 10 0 BEAERN C[C@@H](NN)C1CCC(C(F)(F)F)CC1 ZINC000127211546 344025543 /nfs/dbraw/zinc/02/55/43/344025543.db2.gz XJXCIROFSKXIJJ-JECWYVHBSA-N 0 0 210.243 2.207 10 0 BEAERN O=Cc1csc2c1ncnc2NC1CC1 ZINC000118615515 343051224 /nfs/dbraw/zinc/05/12/24/343051224.db2.gz PEQRFBYGXDJCOZ-UHFFFAOYSA-N 0 0 219.269 2.078 10 0 BEAERN CC(=O)Nc1cccc(C(=O)c2cccnc2)c1 ZINC000139777009 343067930 /nfs/dbraw/zinc/06/79/30/343067930.db2.gz VRSVUEUPUOAGGU-UHFFFAOYSA-N 0 0 240.262 2.271 10 0 BEAERN OC[C@@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000140065657 343069994 /nfs/dbraw/zinc/06/99/94/343069994.db2.gz VYKGOZJRHLAPRU-CQSZACIVSA-N 0 0 248.322 2.234 10 0 BEAERN Cn1nccc1-c1cc(Cl)nc(Cl)n1 ZINC000236091772 343074137 /nfs/dbraw/zinc/07/41/37/343074137.db2.gz UIRLDOKLZBIUEX-UHFFFAOYSA-N 0 0 229.070 2.184 10 0 BEAERN CCOC(=O)Nc1cc(N)cc2[nH]c(C)nc21 ZINC000140378308 343072051 /nfs/dbraw/zinc/07/20/51/343072051.db2.gz XZQNSZNFHJZMLI-UHFFFAOYSA-N 0 0 234.259 2.022 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(cc(F)cc2C)N1 ZINC000584881143 343081988 /nfs/dbraw/zinc/08/19/88/343081988.db2.gz DAPPEJXGZRTASV-LLVKDONJSA-N 0 0 223.247 2.034 10 0 BEAERN O=C(N[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000049043197 343083841 /nfs/dbraw/zinc/08/38/41/343083841.db2.gz RZLLHVCIKCPPDJ-NWDGAFQWSA-N 0 0 201.269 2.069 10 0 BEAERN CCNc1c2cnn(CC(C)C)c2ncc1N ZINC000584882174 343084108 /nfs/dbraw/zinc/08/41/08/343084108.db2.gz RMGRTMZWOBHZMJ-UHFFFAOYSA-N 0 0 233.319 2.101 10 0 BEAERN CNc1c(N)cnc2c(OC(F)F)cccc21 ZINC000584882745 343085374 /nfs/dbraw/zinc/08/53/74/343085374.db2.gz OUXOFZQLGHGOLT-UHFFFAOYSA-N 0 0 239.225 2.460 10 0 BEAERN Nc1cnc2c(F)cc(Cl)cc2c1N ZINC000584882730 343085461 /nfs/dbraw/zinc/08/54/61/343085461.db2.gz NXIANCAPZAOQFK-UHFFFAOYSA-N 0 0 211.627 2.192 10 0 BEAERN CCNc1c(N)cnc2c(Cl)cccc21 ZINC000584882780 343085507 /nfs/dbraw/zinc/08/55/07/343085507.db2.gz QZXPKIIDTCVZDJ-UHFFFAOYSA-N 0 0 221.691 2.324 10 0 BEAERN CCNc1c(N)cnc2c(F)cc(F)c(F)c21 ZINC000584882766 343085519 /nfs/dbraw/zinc/08/55/19/343085519.db2.gz QBDXEASFARFDBE-UHFFFAOYSA-N 0 0 241.216 2.088 10 0 BEAERN CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccsc21 ZINC000584883890 343087133 /nfs/dbraw/zinc/08/71/33/343087133.db2.gz VVGIFFHRQLQPIK-QPUJVOFHSA-N 0 0 239.340 2.061 10 0 BEAERN Cc1ncc(C(=O)c2sccc2F)n1C ZINC000306670083 362031985 /nfs/dbraw/zinc/03/19/85/362031985.db2.gz LLTOMJNEIKVXCL-UHFFFAOYSA-N 0 0 224.260 2.160 10 0 BEAERN CCCc1nc(Cl)nc(OC)c1F ZINC000141111288 343088873 /nfs/dbraw/zinc/08/88/73/343088873.db2.gz LNTUSIUKENIYIA-UHFFFAOYSA-N 0 0 204.632 2.230 10 0 BEAERN COc1ccc2[nH]cc(CC[C@H](C)O)c2c1 ZINC000140276969 343075399 /nfs/dbraw/zinc/07/53/99/343075399.db2.gz UFFDQNUAKJSLDO-VIFPVBQESA-N 0 0 219.284 2.490 10 0 BEAERN O=Cc1ccc(NC(=O)C2CCC2)cc1 ZINC000236413161 343076652 /nfs/dbraw/zinc/07/66/52/343076652.db2.gz RKJHMNFAAZSUKO-UHFFFAOYSA-N 0 0 203.241 2.238 10 0 BEAERN CCn1cc(-c2cccc(C=O)c2)cn1 ZINC000043462587 343077049 /nfs/dbraw/zinc/07/70/49/343077049.db2.gz OBKIXNANIVKWGT-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CC[C@H]1CCCC[C@H]1NC(=O)n1ccnc1 ZINC000042581653 362011225 /nfs/dbraw/zinc/01/12/25/362011225.db2.gz GHFGWGXUVDBEDS-WDEREUQCSA-N 0 0 221.304 2.410 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(c(C)ccc2C)N1 ZINC000261092890 343077537 /nfs/dbraw/zinc/07/75/37/343077537.db2.gz XYZOUWYYFPIBQT-LLVKDONJSA-N 0 0 219.284 2.203 10 0 BEAERN C[C@@H](O)CNc1ccc(Cl)cc1F ZINC000042589925 362012012 /nfs/dbraw/zinc/01/20/12/362012012.db2.gz APANESWONBGRLD-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN C[C@@H]1C[C@H](C)CC(O)=C1C(=O)C(F)(F)F ZINC000227340197 344027777 /nfs/dbraw/zinc/02/77/77/344027777.db2.gz SYQFDNMMRKJQBS-SHYZEUOFSA-N 0 0 222.206 2.369 10 0 BEAERN CCS[C@H]1CCC[C@H]1N1CN=NC1=S ZINC000233868344 343100025 /nfs/dbraw/zinc/10/00/25/343100025.db2.gz PIRUSIBMGYQLCD-SFYZADRCSA-N 0 0 229.374 2.414 10 0 BEAERN CCOC(OCC)C(=O)c1cccc(OC)c1 ZINC000043504073 343100109 /nfs/dbraw/zinc/10/01/09/343100109.db2.gz OQHYRDXRXFIUAZ-UHFFFAOYSA-N 0 0 238.283 2.277 10 0 BEAERN CSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1 ZINC000013742863 343102678 /nfs/dbraw/zinc/10/26/78/343102678.db2.gz SZLFFNOCIWFGMN-UHFFFAOYSA-N 0 0 246.335 2.391 10 0 BEAERN CCOC(=O)[C@@H](C)Oc1ccccc1C ZINC000038762341 343109397 /nfs/dbraw/zinc/10/93/97/343109397.db2.gz SLUUHAFCXRVNPS-SNVBAGLBSA-N 0 0 208.257 2.325 10 0 BEAERN Cn1c2cc(-c3ccccc3)cnc2nc1NO ZINC000013282303 362063262 /nfs/dbraw/zinc/06/32/62/362063262.db2.gz DCVWQAGUQFBCTF-UHFFFAOYSA-N 0 0 240.266 2.436 10 0 in-vitro BEAERN CC[C@@H](SC[C@@H](O)CO)c1ccc(F)cc1 ZINC000177427886 346929251 /nfs/dbraw/zinc/92/92/51/346929251.db2.gz KUYAWUVXDNXYPN-NWDGAFQWSA-N 0 0 244.331 2.363 10 0 BEAERN CC(=O)/C=C/c1ccc(OC(C)=O)cc1 ZINC000014503373 343125310 /nfs/dbraw/zinc/12/53/10/343125310.db2.gz JFNKSNPDSGPDLG-ONEGZZNKSA-N 0 0 204.225 2.214 10 0 BEAERN CN1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000144297848 343132007 /nfs/dbraw/zinc/13/20/07/343132007.db2.gz AXIBLWOMXBAITH-LLVKDONJSA-N 0 0 211.692 2.343 10 0 BEAERN C[C@H](Nc1nccnc1Cl)[C@@H]1CCCO1 ZINC000043537748 343132954 /nfs/dbraw/zinc/13/29/54/343132954.db2.gz MSKSHJQIXDVJRG-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN CC[C@H](C(N)=S)n1nc(C)c(C)c1C ZINC000043541074 343135823 /nfs/dbraw/zinc/13/58/23/343135823.db2.gz BIOCURPPASUKKO-SECBINFHSA-N 0 0 211.334 2.046 10 0 BEAERN CSc1cccc(-c2cnc(=O)[nH]c2)c1 ZINC000065344650 343138270 /nfs/dbraw/zinc/13/82/70/343138270.db2.gz WHNRYTSGPNDIRZ-UHFFFAOYSA-N 0 0 218.281 2.159 10 0 BEAERN Fc1cncc(-c2nsc(Cl)n2)c1 ZINC000144794922 343139862 /nfs/dbraw/zinc/13/98/62/343139862.db2.gz KMUHMZRJSMMJAO-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccccc2NC1=O ZINC000031890422 343142182 /nfs/dbraw/zinc/14/21/82/343142182.db2.gz USEJKDHPEGYAPK-GZMMTYOYSA-N 0 0 204.273 2.465 10 0 BEAERN Cc1cccc2c1N(Cc1c[nH]cn1)CCO2 ZINC000144897011 343142382 /nfs/dbraw/zinc/14/23/82/343142382.db2.gz AFXVJVYIQDALAX-UHFFFAOYSA-N 0 0 229.283 2.117 10 0 BEAERN Cc1c(Br)ccc2nc[nH]c(=O)c12 ZINC000144942321 343144443 /nfs/dbraw/zinc/14/44/43/343144443.db2.gz GELSPYAXWZQVJD-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN CC1CCN(C(=O)NC2(C)CCC2)CC1 ZINC000127815685 343179024 /nfs/dbraw/zinc/17/90/24/343179024.db2.gz RBOBTNPAJYPHON-UHFFFAOYSA-N 0 0 210.321 2.371 10 0 BEAERN CCOC1(C)CCN(C(=O)OC(C)C)CC1 ZINC000381155078 344028753 /nfs/dbraw/zinc/02/87/53/344028753.db2.gz PXYWBJCMAIKGLQ-UHFFFAOYSA-N 0 0 229.320 2.422 10 0 BEAERN C[C@H]1[NH2+]Cc2c1ccc(N)c2Br ZINC000082359374 187243163 /nfs/dbraw/zinc/24/31/63/187243163.db2.gz QEGDIWDRAFXFET-RXMQYKEDSA-N 0 0 227.105 2.196 10 0 BEAERN CNc1nccn2c(-c3cccs3)cnc12 ZINC000090505696 187243448 /nfs/dbraw/zinc/24/34/48/187243448.db2.gz NBLJERMWMBNUHP-UHFFFAOYSA-N 0 0 230.296 2.500 10 0 BEAERN CCC1(C(=O)N2CCC[C@@H](O)[C@H]2C)CCCC1 ZINC000336233801 168428976 /nfs/dbraw/zinc/42/89/76/168428976.db2.gz MKAOXKMGSWYLIK-VXGBXAGGSA-N 0 0 239.359 2.329 10 0 BEAERN COc1ccc2c(c1)O[C@H]([C@@H]1CCCO1)CC2=O ZINC000164968404 343208036 /nfs/dbraw/zinc/20/80/36/343208036.db2.gz ZSDRPJOMLRMERL-JSGCOSHPSA-N 0 0 248.278 2.208 10 0 BEAERN COc1ccc2c(c1)O[C@@H]([C@H]1CCCO1)CC2=O ZINC000164968755 343208253 /nfs/dbraw/zinc/20/82/53/343208253.db2.gz ZSDRPJOMLRMERL-TZMCWYRMSA-N 0 0 248.278 2.208 10 0 BEAERN CC(C)(O)[C@](C)(O)c1cccc(Cl)c1 ZINC000000000464 187244618 /nfs/dbraw/zinc/24/46/18/187244618.db2.gz OLXAYPPTCHXQRE-LLVKDONJSA-N 0 0 214.692 2.318 10 0 in-man BEAERN Cc1ccc(CN(C)C(=O)NC(C)C)o1 ZINC000135851221 343191872 /nfs/dbraw/zinc/19/18/72/343191872.db2.gz YYNMRAWWYVKOKA-UHFFFAOYSA-N 0 0 210.277 2.138 10 0 BEAERN CC(C)(O)[C@@](C)(O)c1cccc(Cl)c1 ZINC000002019396 187245435 /nfs/dbraw/zinc/24/54/35/187245435.db2.gz OLXAYPPTCHXQRE-NSHDSACASA-N 0 0 214.692 2.318 10 0 in-man BEAERN COc1cc(/C=C(/C)[N+](=O)[O-])cc(OC)c1 ZINC000031852835 343225617 /nfs/dbraw/zinc/22/56/17/343225617.db2.gz COWWUDOIMZXGFM-YWEYNIOJSA-N 0 0 223.228 2.341 10 0 BEAERN Nc1ccc2[nH]nc(-c3ccccn3)c2c1 ZINC000031991931 343227735 /nfs/dbraw/zinc/22/77/35/343227735.db2.gz LKWZBIVBDADZQQ-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN OCCCc1cnn(CCCc2ccccc2)c1 ZINC000071151565 343231621 /nfs/dbraw/zinc/23/16/21/343231621.db2.gz KNVDDAXFOIYTGI-UHFFFAOYSA-N 0 0 244.338 2.441 10 0 BEAERN Nc1ccc(SCc2ccccn2)nc1 ZINC000037191798 187251062 /nfs/dbraw/zinc/25/10/62/187251062.db2.gz HIHJWMXJFINXFD-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN Cc1ccc(C2(C(=O)[O-])CC[NH+](C)CC2)cc1 ZINC000033487206 343255300 /nfs/dbraw/zinc/25/53/00/343255300.db2.gz UOEZKGNGSSTLMH-UHFFFAOYSA-N 0 0 233.311 2.043 10 0 BEAERN CC(C)OC(=O)[C@@H](O)c1cccc(Cl)c1 ZINC000238178417 343251165 /nfs/dbraw/zinc/25/11/65/343251165.db2.gz CEKWDOMYMVCWIT-JTQLQIEISA-N 0 0 228.675 2.325 10 0 BEAERN C[C@H]1CO[C@@H](c2ccc(F)c(F)c2)C[NH2+]1 ZINC000036986469 187250464 /nfs/dbraw/zinc/25/04/64/187250464.db2.gz BGBQFXWOUGGBAE-WRWORJQWSA-N 0 0 213.227 2.014 10 0 BEAERN CCOC1(c2ccccc2O)CCOCC1 ZINC000146178822 343283327 /nfs/dbraw/zinc/28/33/27/343283327.db2.gz RFGONTVPLBUHGV-UHFFFAOYSA-N 0 0 222.284 2.434 10 0 BEAERN Nc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1 ZINC000035056385 343283466 /nfs/dbraw/zinc/28/34/66/343283466.db2.gz KTFPWRGUBKCAEK-UHFFFAOYSA-N 0 0 244.294 2.093 10 0 BEAERN C[C@H]1Cc2nc[nH]c2[C@@H](c2ccccc2)[NH2+]1 ZINC000238468496 343257055 /nfs/dbraw/zinc/25/70/55/343257055.db2.gz HPBPDFQEUXPCQU-JOYOIKCWSA-N 0 0 213.284 2.033 10 0 BEAERN COC(=O)c1cnc(-c2cccs2)o1 ZINC000238416832 343257453 /nfs/dbraw/zinc/25/74/53/343257453.db2.gz HYKVSZULJYHTKK-UHFFFAOYSA-N 0 0 209.226 2.190 10 0 BEAERN Nc1ccccc1NC(=O)CCOCC1CC1 ZINC000019870559 343258331 /nfs/dbraw/zinc/25/83/31/343258331.db2.gz ZTHTZKLISGBGQX-UHFFFAOYSA-N 0 0 234.299 2.024 10 0 BEAERN COC(=O)/C=C/c1cc(C)cc(C)c1N ZINC000238802038 343258487 /nfs/dbraw/zinc/25/84/87/343258487.db2.gz XCVBXGOZLQNRRF-SNAWJCMRSA-N 0 0 205.257 2.072 10 0 BEAERN CCOC(=O)C1CCC(c2cccnn2)CC1 ZINC000165936587 343258997 /nfs/dbraw/zinc/25/89/97/343258997.db2.gz ZQGRSNLGANYYTG-UHFFFAOYSA-N 0 0 234.299 2.314 10 0 BEAERN COC(=O)c1sc2ccc(Cl)nc2c1N ZINC000034434332 343271054 /nfs/dbraw/zinc/27/10/54/343271054.db2.gz WYGHRSSHGYFGQN-UHFFFAOYSA-N 0 0 242.687 2.319 10 0 BEAERN O=C(N1CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000034484087 343272480 /nfs/dbraw/zinc/27/24/80/343272480.db2.gz HGLVVWKWAQKMAH-UHFFFAOYSA-N 0 0 247.338 2.352 10 0 BEAERN COc1cc(N)c2c(c1)OC(C)(C)C=C2 ZINC000034597244 343275912 /nfs/dbraw/zinc/27/59/12/343275912.db2.gz DYJCDKUXANMBIM-UHFFFAOYSA-N 0 0 205.257 2.462 10 0 BEAERN NC(=S)c1ccc(OCc2ccccn2)cc1 ZINC000019424392 187251598 /nfs/dbraw/zinc/25/15/98/187251598.db2.gz BGAXSHORYIJTKL-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN CC[C@H](NN)c1ccc(Cl)c(F)c1 ZINC000234052789 343276965 /nfs/dbraw/zinc/27/69/65/343276965.db2.gz GAMLVPVYZAAYFH-VIFPVBQESA-N 0 0 202.660 2.394 10 0 BEAERN CC(C)(C)c1c[nH]c([C@](C)([NH3+])C2CC2)n1 ZINC000037479322 187251996 /nfs/dbraw/zinc/25/19/96/187251996.db2.gz UGTOOXGNWLMUKQ-GFCCVEGCSA-N 0 0 207.321 2.291 10 0 BEAERN Cc1ccc(F)cc1NCc1nccn1C ZINC000034937792 343281597 /nfs/dbraw/zinc/28/15/97/343281597.db2.gz JVXHWFNROCRMOZ-UHFFFAOYSA-N 0 0 219.263 2.480 10 0 BEAERN Cc1cc(C)nc([C@H](O)c2ccccc2)n1 ZINC000036459999 343319005 /nfs/dbraw/zinc/31/90/05/343319005.db2.gz IJQGOSDEQRRWNI-GFCCVEGCSA-N 0 0 214.268 2.175 10 0 BEAERN COP(=O)(OC)C(=O)c1cccs1 ZINC000139295283 343297353 /nfs/dbraw/zinc/29/73/53/343297353.db2.gz SWEPTYIHQOHGGH-UHFFFAOYSA-N 0 0 220.186 2.374 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCC(C)(C)C(C)(C)O ZINC000393591265 259357554 /nfs/dbraw/zinc/35/75/54/259357554.db2.gz QRXVHMQXAWUNOG-QWRGUYRKSA-N 0 0 241.375 2.336 10 0 BEAERN COC(=O)c1cc(C(C)C)nc(C2CC2)n1 ZINC000261170485 343303583 /nfs/dbraw/zinc/30/35/83/343303583.db2.gz ZULZHDKGJYYZAB-UHFFFAOYSA-N 0 0 220.272 2.264 10 0 BEAERN CC(=O)c1c(C)nc2cc(Cl)ccn21 ZINC000200702155 343305358 /nfs/dbraw/zinc/30/53/58/343305358.db2.gz XCCAGZNGQAKFCN-UHFFFAOYSA-N 0 0 208.648 2.499 10 0 BEAERN CC[C@](C)(O)C(=O)c1cc(F)ccc1F ZINC000234082702 343334547 /nfs/dbraw/zinc/33/45/47/343334547.db2.gz XGBZVDCGFXSRFN-NSHDSACASA-N 0 0 214.211 2.309 10 0 BEAERN COc1nc(C)c(-c2ccccc2)c(OC)n1 ZINC000028655560 187255547 /nfs/dbraw/zinc/25/55/47/187255547.db2.gz XBGYPGMCIDIGIT-UHFFFAOYSA-N 0 0 230.267 2.469 10 0 BEAERN CC(=O)Nc1cccc2c1CC[C@H](C)N2 ZINC000039410072 187255563 /nfs/dbraw/zinc/25/55/63/187255563.db2.gz KSKRRWDDFULOOO-QMMMGPOBSA-N 0 0 204.273 2.392 10 0 BEAERN CC(=O)C[C@@](N)(c1ccccc1)C(F)(F)F ZINC000032629062 187256330 /nfs/dbraw/zinc/25/63/30/187256330.db2.gz DRMRVGAOPWTKPZ-SNVBAGLBSA-N 0 0 231.217 2.382 10 0 BEAERN COC(C)(C)C[C@@H](C)Nc1ccn(C)n1 ZINC000037471694 343346252 /nfs/dbraw/zinc/34/62/52/343346252.db2.gz KXCKBKXXSRHBLP-SECBINFHSA-N 0 0 211.309 2.036 10 0 BEAERN Cn1ccc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000037471827 343346313 /nfs/dbraw/zinc/34/63/13/343346313.db2.gz QEUAIPRCZLYWBB-VWYCJHECSA-N 0 0 203.289 2.044 10 0 BEAERN CCc1nc[nH]c(=S)c1Br ZINC000234175530 343348752 /nfs/dbraw/zinc/34/87/52/343348752.db2.gz YHKRNSDUOLUSFQ-UHFFFAOYSA-N 0 0 219.107 2.090 10 0 BEAERN CC(C)(CO)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000035600065 187258466 /nfs/dbraw/zinc/25/84/66/187258466.db2.gz IDIUXJMOKKNHOG-UHFFFAOYSA-N 0 0 248.248 2.470 10 0 BEAERN COc1ccc(N)cc1COCCOC(C)C ZINC000036722306 187259263 /nfs/dbraw/zinc/25/92/63/187259263.db2.gz JZCPFPVUMOJXKF-UHFFFAOYSA-N 0 0 239.315 2.219 10 0 BEAERN CC(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000034571499 187257504 /nfs/dbraw/zinc/25/75/04/187257504.db2.gz KYNJMYNIVOFDCC-UHFFFAOYSA-N 0 0 215.293 2.223 10 0 BEAERN CCOc1c(C=O)ccc2cccnc21 ZINC000039099067 343383046 /nfs/dbraw/zinc/38/30/46/343383046.db2.gz AWYNYRNKASJYLJ-UHFFFAOYSA-N 0 0 201.225 2.446 10 0 BEAERN CCOc1nc(N)cc(-c2ccccc2)n1 ZINC000039100178 343383634 /nfs/dbraw/zinc/38/36/34/343383634.db2.gz OLLYGLLOFCASDV-UHFFFAOYSA-N 0 0 215.256 2.125 10 0 BEAERN Cc1cc(-c2cc(C)ccc2O)nn1C ZINC000039105134 343384856 /nfs/dbraw/zinc/38/48/56/343384856.db2.gz ILCXLDSGSMTIKV-UHFFFAOYSA-N 0 0 202.257 2.410 10 0 BEAERN Cc1ccc([C@H]2CCCC[C@@H]2NN)cc1 ZINC000039105295 343384921 /nfs/dbraw/zinc/38/49/21/343384921.db2.gz VODLXSPDSHACNX-OLZOCXBDSA-N 0 0 204.317 2.485 10 0 BEAERN CS[C@@H](C)N(C)CCOC1(C)CC1 ZINC000039105206 343384970 /nfs/dbraw/zinc/38/49/70/343384970.db2.gz ZGEISOMTPYABLN-VIFPVBQESA-N 0 0 203.351 2.196 10 0 BEAERN CCOC(=O)C[C@@H]1CCc2ccc(O)cc2C1 ZINC000039120907 343385896 /nfs/dbraw/zinc/38/58/96/343385896.db2.gz OSMCGKDNJDWNOZ-SNVBAGLBSA-N 0 0 234.295 2.450 10 0 BEAERN CCOP(=O)(OCC)[C@@H](CC)C(=O)OC ZINC000039247313 343387755 /nfs/dbraw/zinc/38/77/55/343387755.db2.gz RKCYMDRWHIIFMS-QMMMGPOBSA-N 0 0 238.220 2.204 10 0 BEAERN CO[C@@]1(C)CC(=O)N(c2ccc(Cl)cc2)O1 ZINC000039250768 343387964 /nfs/dbraw/zinc/38/79/64/343387964.db2.gz KPYDTKLDVPQZIJ-LLVKDONJSA-N 0 0 241.674 2.371 10 0 BEAERN O=C(Nc1cncc(F)c1)N1C[C@H]2CCC[C@H]21 ZINC000335687504 136323946 /nfs/dbraw/zinc/32/39/46/136323946.db2.gz BLPPWLIADKUQTD-LDYMZIIASA-N 0 0 235.262 2.237 10 0 BEAERN Cc1ccc(CC(=O)Nc2ccc(N)cn2)cc1 ZINC000036925584 178523296 /nfs/dbraw/zinc/52/32/96/178523296.db2.gz CEJCJMGYAHOSRK-UHFFFAOYSA-N 0 0 241.294 2.153 10 0 BEAERN CCOC(=O)[C@@H]1CC=C(c2ncccc2N)CC1 ZINC000148801881 343396595 /nfs/dbraw/zinc/39/65/95/343396595.db2.gz DMJDNQHMSNOISM-LLVKDONJSA-N 0 0 246.310 2.410 10 0 BEAERN CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000040443124 343403446 /nfs/dbraw/zinc/40/34/46/343403446.db2.gz ZDIZVOYIUYVPCG-UWVGGRQHSA-N 0 0 229.320 2.014 10 0 BEAERN Nc1cc(Br)c[nH]c1=S ZINC000040714047 343408501 /nfs/dbraw/zinc/40/85/01/343408501.db2.gz CQMJOLDROOGWCU-UHFFFAOYSA-N 0 0 205.080 2.089 10 0 BEAERN O=C1CC[S@](=O)c2c(Cl)cccc21 ZINC000040972961 343411684 /nfs/dbraw/zinc/41/16/84/343411684.db2.gz ZRIVNDICDWYLPO-CYBMUJFWSA-N 0 0 214.673 2.034 10 0 BEAERN CCCc1nc(-c2sccc2N)n[nH]1 ZINC000041058647 343413947 /nfs/dbraw/zinc/41/39/47/343413947.db2.gz GOUGSRGJUFKFSM-UHFFFAOYSA-N 0 0 208.290 2.068 10 0 BEAERN Nc1cn([C@@H]2CCOC2)c2ccc(F)cc12 ZINC000149584500 343432622 /nfs/dbraw/zinc/43/26/22/343432622.db2.gz LPLUXDHRFBSFFK-SECBINFHSA-N 0 0 220.247 2.324 10 0 BEAERN O=c1[nH]c(-c2ccc(F)c(F)c2)nc2c1CCC2 ZINC000042401195 343436673 /nfs/dbraw/zinc/43/66/73/343436673.db2.gz KFBVZMISFZOZBN-UHFFFAOYSA-N 0 0 248.232 2.204 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1cc(Br)ncn1 ZINC000234136031 343446465 /nfs/dbraw/zinc/44/64/65/343446465.db2.gz KJYSXHVIFQPPGF-BQBZGAKWSA-N 0 0 242.120 2.450 10 0 BEAERN Cc1ccc(/C=C/C(=O)NCc2cn[nH]c2)s1 ZINC000038006950 187261685 /nfs/dbraw/zinc/26/16/85/187261685.db2.gz RKVVNKRLMXLILU-SNAWJCMRSA-N 0 0 247.323 2.109 10 0 BEAERN NC(=S)Cc1sccc1Br ZINC000043675488 343480286 /nfs/dbraw/zinc/48/02/86/343480286.db2.gz SLDIEUNBKMEFLF-UHFFFAOYSA-N 0 0 236.159 2.339 10 0 BEAERN Cc1ccc2c(c1)ncn2CC(C)(C)O ZINC000203059403 343497286 /nfs/dbraw/zinc/49/72/86/343497286.db2.gz TUFAJVOCUIZDPC-UHFFFAOYSA-N 0 0 204.273 2.116 10 0 BEAERN Nc1cc2[nH]nc(Cl)c2cc1Cl ZINC000044184916 343494638 /nfs/dbraw/zinc/49/46/38/343494638.db2.gz DDZGGQURHXLYIE-UHFFFAOYSA-N 0 0 202.044 2.452 10 0 BEAERN Cc1ccc(CCc2cc(N)n(C)n2)cc1 ZINC000041228473 178538677 /nfs/dbraw/zinc/53/86/77/178538677.db2.gz YHCOCXCNZPAFLW-UHFFFAOYSA-N 0 0 215.300 2.096 10 0 BEAERN CCc1cncc(I)c1 ZINC000149929809 343462044 /nfs/dbraw/zinc/46/20/44/343462044.db2.gz CGRXACLLBDCSBD-UHFFFAOYSA-N 0 0 233.052 2.249 10 0 BEAERN C[C@@H]1NC(=O)O[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000150058090 343465001 /nfs/dbraw/zinc/46/50/01/343465001.db2.gz YJBLOUZDOVVELN-IGJIYHIXSA-N 0 0 231.173 2.273 10 0 BEAERN CCOC(=O)C[C@@H](OC)c1cccc(O)c1 ZINC000261119603 349814597 /nfs/dbraw/zinc/81/45/97/349814597.db2.gz GOFAKGXALSFMFF-LLVKDONJSA-N 0 0 224.256 2.033 10 0 BEAERN CC1=CC(O)(O)[C@H](C)C=C1c1ccccc1 ZINC000039119050 187262922 /nfs/dbraw/zinc/26/29/22/187262922.db2.gz CQQHVARUCLRJOT-LLVKDONJSA-N 0 0 216.280 2.347 10 0 BEAERN COC(=O)c1sccc1NC1CCC1 ZINC000118891483 343518482 /nfs/dbraw/zinc/51/84/82/343518482.db2.gz QVPPBRQWULAKFM-UHFFFAOYSA-N 0 0 211.286 2.499 10 0 BEAERN CSc1ccc2[nH]c(=NN)sc2c1 ZINC000045237625 343526672 /nfs/dbraw/zinc/52/66/72/343526672.db2.gz JQWHUPNWCMBGJM-UHFFFAOYSA-N 0 0 211.315 2.304 10 0 BEAERN CN(N)c1nc2ccc(Cl)cc2s1 ZINC000045237660 343526835 /nfs/dbraw/zinc/52/68/35/343526835.db2.gz WCKDDRNXLKYANA-UHFFFAOYSA-N 0 0 213.693 2.260 10 0 BEAERN Cc1ccc2sc([S@](C)=O)nc2c1 ZINC000045238148 343527151 /nfs/dbraw/zinc/52/71/51/343527151.db2.gz JRZYATGCJSCBLO-CYBMUJFWSA-N 0 0 211.311 2.342 10 0 BEAERN O=C1CSc2cc3scnc3cc2N1 ZINC000045238033 343527174 /nfs/dbraw/zinc/52/71/74/343527174.db2.gz QDIVPLWCIVCYKS-UHFFFAOYSA-N 0 0 222.294 2.341 10 0 BEAERN CC[C@@H]1CCN(CCO)c2ccccc21 ZINC000616670781 343534840 /nfs/dbraw/zinc/53/48/40/343534840.db2.gz ATBPRBHNIBZSHW-LLVKDONJSA-N 0 0 205.301 2.383 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1c1ccon1 ZINC000616683316 343536504 /nfs/dbraw/zinc/53/65/04/343536504.db2.gz NEYRFNLHDVGUIS-ZDUSSCGKSA-N 0 0 243.266 2.194 10 0 BEAERN COC(=O)N1CCc2ccccc2[C@H]1F ZINC000616678712 343536564 /nfs/dbraw/zinc/53/65/64/343536564.db2.gz DDIONHSNJWWWPM-JTQLQIEISA-N 0 0 209.220 2.279 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693651 343539308 /nfs/dbraw/zinc/53/93/08/343539308.db2.gz LCSRMTWZHAIFHQ-JFGNBEQYSA-N 0 0 213.321 2.074 10 0 BEAERN Clc1cc(NC[C@@H]2CCCO2)c(Cl)nn1 ZINC000127144927 343544667 /nfs/dbraw/zinc/54/46/67/343544667.db2.gz KKTDDWDHWHSOPG-LURJTMIESA-N 0 0 248.113 2.374 10 0 BEAERN CN(C)c1cccc(O[C@@H]2CCC[C@H]2O)c1 ZINC000044367553 343498925 /nfs/dbraw/zinc/49/89/25/343498925.db2.gz QKFLHODGQJTEGU-CHWSQXEVSA-N 0 0 221.300 2.045 10 0 BEAERN O=C(NC1(C2CCC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000616544673 343499157 /nfs/dbraw/zinc/49/91/57/343499157.db2.gz HSOLFBAHMLILSU-JGPRNRPPSA-N 0 0 219.328 2.481 10 0 BEAERN CCc1nnc(-c2ccoc2Br)[nH]1 ZINC000234157171 343500230 /nfs/dbraw/zinc/50/02/30/343500230.db2.gz MXKRFHNLQZNZEJ-UHFFFAOYSA-N 0 0 242.076 2.390 10 0 BEAERN Cn1ccc(C(=O)COc2cccc(C=O)c2)c1 ZINC000047821381 343566367 /nfs/dbraw/zinc/56/63/67/343566367.db2.gz ZPBXQBCRHJYWSM-UHFFFAOYSA-N 0 0 243.262 2.099 10 0 BEAERN FC(F)c1ccnc2c(Br)cnn21 ZINC000712033947 537784564 /nfs/dbraw/zinc/78/45/64/537784564.db2.gz NQSXJKXFTJRBQF-UHFFFAOYSA-N 0 0 248.030 2.429 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CCCCC(=O)C1 ZINC000083324178 343579240 /nfs/dbraw/zinc/57/92/40/343579240.db2.gz GQWFMCBUKYHHSW-VIFPVBQESA-N 0 0 227.304 2.413 10 0 BEAERN COC(=O)[C@@H](C)Nc1ccc(Cl)cc1F ZINC000043627813 343617788 /nfs/dbraw/zinc/61/77/88/343617788.db2.gz BXDILEOYSQGPIK-ZCFIWIBFSA-N 0 0 231.654 2.453 10 0 BEAERN COC(=O)[C@H](C)Nc1ccc(Cl)cc1F ZINC000043627810 343617843 /nfs/dbraw/zinc/61/78/43/343617843.db2.gz BXDILEOYSQGPIK-LURJTMIESA-N 0 0 231.654 2.453 10 0 BEAERN CCCC(=O)CN(C)Cc1ccccc1 ZINC000050184288 343610420 /nfs/dbraw/zinc/61/04/20/343610420.db2.gz BVDJZAJKJVHQTF-UHFFFAOYSA-N 0 0 205.301 2.488 10 0 BEAERN OCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000020435113 343635938 /nfs/dbraw/zinc/63/59/38/343635938.db2.gz ZHTBCTPCRMLCCH-UHFFFAOYSA-N 0 0 224.153 2.259 10 0 BEAERN O[C@H](CNc1ccnc(Cl)n1)c1ccccc1 ZINC000051849498 343629173 /nfs/dbraw/zinc/62/91/73/343629173.db2.gz RVBLEKGKZIGVJT-SNVBAGLBSA-N 0 0 249.701 2.276 10 0 BEAERN COc1ccc(OC)c2c1[C@H]1CC[C@@H]2[C@@H](O)C1 ZINC000196622594 343633211 /nfs/dbraw/zinc/63/32/11/343633211.db2.gz HVMSTAQTBQXZPN-AEJSXWLSSA-N 0 0 234.295 2.429 10 0 BEAERN COC[C@@H](C)NCc1cc(C(C)(C)C)on1 ZINC000390663384 537800761 /nfs/dbraw/zinc/80/07/61/537800761.db2.gz SVITWPUZIYYIMQ-SECBINFHSA-N 0 0 226.320 2.097 10 0 BEAERN CCc1cc(NC[C@H]2CCCC[C@H]2O)ncn1 ZINC000077208389 343670997 /nfs/dbraw/zinc/67/09/97/343670997.db2.gz OTRAHNYFALYSBI-ZYHUDNBSSA-N 0 0 235.331 2.002 10 0 BEAERN CCOC(=O)/C=C(/OC)c1ccccc1 ZINC000166654138 343709432 /nfs/dbraw/zinc/70/94/32/343709432.db2.gz ROFWCAULVGPCLM-PKNBQFBNSA-N 0 0 206.241 2.237 10 0 BEAERN NC(=S)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000006132409 343694863 /nfs/dbraw/zinc/69/48/63/343694863.db2.gz OMVGKAWQTXZISA-UHFFFAOYSA-N 0 0 248.138 2.161 10 0 BEAERN CC[C@@H](C)Cn1ncc(Br)c1N ZINC000043666455 343696683 /nfs/dbraw/zinc/69/66/83/343696683.db2.gz QMIZBVOLRWJYGS-ZCFIWIBFSA-N 0 0 232.125 2.274 10 0 BEAERN Cc1nn(CCSC(F)(F)F)c(C)c1N ZINC000124354693 537804948 /nfs/dbraw/zinc/80/49/48/537804948.db2.gz LDTSZOREEVWSBI-UHFFFAOYSA-N 0 0 239.266 2.335 10 0 BEAERN Cc1nn(C(C)C)c(C)c1NCc1ncc[nH]1 ZINC000049715587 187270133 /nfs/dbraw/zinc/27/01/33/187270133.db2.gz OTJUMKGKFNPGLJ-UHFFFAOYSA-N 0 0 233.319 2.416 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@H]1CCOc2ccccc21 ZINC000049367695 187270355 /nfs/dbraw/zinc/27/03/55/187270355.db2.gz WNRXVSVZNIMFEH-PWSUYJOCSA-N 0 0 249.310 2.051 10 0 BEAERN COc1cc(N)ccc1NC(=O)CC1CC1 ZINC000049728705 187270507 /nfs/dbraw/zinc/27/05/07/187270507.db2.gz XICQFKHIWSLMFE-UHFFFAOYSA-N 0 0 220.272 2.016 10 0 BEAERN CS[C@H]1CC[C@@H](n2cnnc2Cl)C1 ZINC000235081522 343737726 /nfs/dbraw/zinc/73/77/26/343737726.db2.gz DXBMPFUEHUYHIM-RQJHMYQMSA-N 0 0 217.725 2.388 10 0 BEAERN C[C@@H](CCCC(N)=O)C[C@H](O)C(C)(C)C ZINC000206833903 343713051 /nfs/dbraw/zinc/71/30/51/343713051.db2.gz BVWAQEKZUPVHIY-UWVGGRQHSA-N 0 0 215.337 2.075 10 0 BEAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C)cs1 ZINC000408098789 343713971 /nfs/dbraw/zinc/71/39/71/343713971.db2.gz HNCRAWVDGBIFHC-ACLDMZEESA-N 0 0 239.344 2.220 10 0 BEAERN CO[C@@H]1CC[C@H](Nc2nsnc2Cl)C1 ZINC000234987569 343716403 /nfs/dbraw/zinc/71/64/03/343716403.db2.gz ADXUIXAFFFMJMD-NTSWFWBYSA-N 0 0 233.724 2.171 10 0 BEAERN C[N@@H+]1CCC=C[C@@H]1C[C@H](O)c1ccccc1 ZINC000207584720 343722027 /nfs/dbraw/zinc/72/20/27/343722027.db2.gz GWPTZCOGIWPPRH-KGLIPLIRSA-N 0 0 217.312 2.370 10 0 BEAERN OCCOCc1ccc2ccccc2c1 ZINC000166697646 343722427 /nfs/dbraw/zinc/72/24/27/343722427.db2.gz FOBZJCUSORNVNB-UHFFFAOYSA-N 0 0 202.253 2.349 10 0 BEAERN CCNc1ccccc1C(=O)N[C@@H]1C[C@H]1C ZINC000052303354 187271246 /nfs/dbraw/zinc/27/12/46/187271246.db2.gz WPMNPWHGZYNVDF-BXKDBHETSA-N 0 0 218.300 2.257 10 0 BEAERN CC(C)Cn1cnnc1-c1ccc(F)cc1N ZINC000054526243 187271960 /nfs/dbraw/zinc/27/19/60/187271960.db2.gz DGVWGSBEXPDDIE-UHFFFAOYSA-N 0 0 234.278 2.322 10 0 BEAERN CC(=O)CC(=O)Nc1ccc2ncccc2c1 ZINC000054108679 187272457 /nfs/dbraw/zinc/27/24/57/187272457.db2.gz UWSXDLYXLNHIRS-UHFFFAOYSA-N 0 0 228.251 2.152 10 0 BEAERN CCCCOC[C@H](O)CSC[C@@H]1CCCO1 ZINC000309123302 346968762 /nfs/dbraw/zinc/96/87/62/346968762.db2.gz ZRDWQJSLGWMHBK-RYUDHWBXSA-N 0 0 248.388 2.076 10 0 BEAERN O=Cc1cn(-c2cc(Cl)cc(Cl)c2)nn1 ZINC000034964616 343779992 /nfs/dbraw/zinc/77/99/92/343779992.db2.gz VQRJCEPGTFVRRT-UHFFFAOYSA-N 0 0 242.065 2.387 10 0 BEAERN Clc1nccnc1N1C[C@@H]2CCC[C@H]2C1 ZINC000126398872 343786701 /nfs/dbraw/zinc/78/67/01/343786701.db2.gz DXAHFSJIHSXZEK-IUCAKERBSA-N 0 0 223.707 2.366 10 0 BEAERN CC(C)n1nc(-c2ccccn2)cc1N ZINC000142385924 343788858 /nfs/dbraw/zinc/78/88/58/343788858.db2.gz PHSCILNAQQTGTA-UHFFFAOYSA-N 0 0 202.261 2.108 10 0 BEAERN COC[C@@H]1CCCCN1c1nccnc1Cl ZINC000307762010 343790126 /nfs/dbraw/zinc/79/01/26/343790126.db2.gz BVCDDUFPIBLFAZ-VIFPVBQESA-N 0 0 241.722 2.135 10 0 BEAERN Nc1ccccc1N(C1CC1)C1CCOCC1 ZINC000212797655 343791927 /nfs/dbraw/zinc/79/19/27/343791927.db2.gz HATHYUKFTUYOAG-UHFFFAOYSA-N 0 0 232.327 2.417 10 0 BEAERN CCN(c1cc(Cl)ncn1)[C@@H]1CCSC1 ZINC000409426778 343798876 /nfs/dbraw/zinc/79/88/76/343798876.db2.gz CYWBMNHHPPESQT-MRVPVSSYSA-N 0 0 243.763 2.462 10 0 BEAERN C[C@@H](CCn1cc(C=O)nn1)c1ccccc1 ZINC000409426858 343798951 /nfs/dbraw/zinc/79/89/51/343798951.db2.gz SMRIBPVYNHOIKP-NSHDSACASA-N 0 0 229.283 2.284 10 0 BEAERN FC[C@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000409426757 343799108 /nfs/dbraw/zinc/79/91/08/343799108.db2.gz IRHMBUAILBDSDP-MRVPVSSYSA-N 0 0 229.686 2.316 10 0 BEAERN COc1ccccc1Cc1cc(=O)[nH]c(=S)[nH]1 ZINC000409427785 343801789 /nfs/dbraw/zinc/80/17/89/343801789.db2.gz CIVBYKDCEYJQPE-UHFFFAOYSA-N 0 0 248.307 2.070 10 0 BEAERN C[C@@H]1C[C@H](n2cc(C[NH3+])nn2)CC(C)(C)C1 ZINC000409424844 343817566 /nfs/dbraw/zinc/81/75/66/343817566.db2.gz YTNQRUFEROSFOQ-KOLCDFICSA-N 0 0 222.336 2.124 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C1CC1)C1CCSCC1 ZINC000409425935 343820895 /nfs/dbraw/zinc/82/08/95/343820895.db2.gz BIBXGMWCERCZKI-LLVKDONJSA-N 0 0 243.372 2.210 10 0 BEAERN N[C@@H](C[NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000072201404 343823115 /nfs/dbraw/zinc/82/31/15/343823115.db2.gz UQZMQFQURJFZJS-QMMMGPOBSA-N 0 0 238.640 2.317 10 0 BEAERN CC[C@H](c1ccccc1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000409430180 343807712 /nfs/dbraw/zinc/80/77/12/343807712.db2.gz LTSYNACVEWMOJI-SNVBAGLBSA-N 0 0 230.267 2.430 10 0 BEAERN O=c1cc(CCC2CCCCC2)[nH]c(=O)[nH]1 ZINC000409430722 343808526 /nfs/dbraw/zinc/80/85/26/343808526.db2.gz NANBGSFNTBMZDL-UHFFFAOYSA-N 0 0 222.288 2.401 10 0 BEAERN Cc1nc(C)c(-c2cc(=O)[nH]c(=S)[nH]2)s1 ZINC000382699603 343809925 /nfs/dbraw/zinc/80/99/25/343809925.db2.gz CAEYAAXMKGCMMR-UHFFFAOYSA-N 0 0 239.325 2.211 10 0 BEAERN C[C@H]1CN(c2cc(Cl)nnc2Cl)CCO1 ZINC000127215872 344041404 /nfs/dbraw/zinc/04/14/04/344041404.db2.gz CXSMPLPPKHDKGF-LURJTMIESA-N 0 0 248.113 2.009 10 0 BEAERN COC(=O)Cn1nc(-c2cccs2)cc1C ZINC000409442097 343857338 /nfs/dbraw/zinc/85/73/38/343857338.db2.gz WMXCCLVVPQDFDW-UHFFFAOYSA-N 0 0 236.296 2.093 10 0 BEAERN CCOc1c(O)cc(Cl)cc1OC ZINC000409440934 343854483 /nfs/dbraw/zinc/85/44/83/343854483.db2.gz MZZGFIBGEWBPPN-UHFFFAOYSA-N 0 0 202.637 2.453 10 0 BEAERN O=Cc1cn(CCF)nc1-c1cccs1 ZINC000409440818 343856100 /nfs/dbraw/zinc/85/61/00/343856100.db2.gz VAEKQVGPBMWCAE-UHFFFAOYSA-N 0 0 224.260 2.394 10 0 BEAERN Nc1ccccc1N1CC[C@]2(C1)CCCCO2 ZINC000409433931 343831042 /nfs/dbraw/zinc/83/10/42/343831042.db2.gz ZIAFJILEFHWJGZ-AWEZNQCLSA-N 0 0 232.327 2.418 10 0 BEAERN CCN(c1cc(Cl)ncn1)C1CCOCC1 ZINC000409434544 343831463 /nfs/dbraw/zinc/83/14/63/343831463.db2.gz PSOLEIMARPVYRY-UHFFFAOYSA-N 0 0 241.722 2.135 10 0 BEAERN Cc1cc(-c2cc(Cl)nc(C)n2)nn1C ZINC000409433248 343831931 /nfs/dbraw/zinc/83/19/31/343831931.db2.gz ZDKBVOZPFADJSI-UHFFFAOYSA-N 0 0 222.679 2.147 10 0 BEAERN CC(C)C[C@H](NC1=[NH+]CCCCC1)C(=O)[O-] ZINC000072417353 187276902 /nfs/dbraw/zinc/27/69/02/187276902.db2.gz GHJKJAVHVOPTNM-JTQLQIEISA-N 0 0 226.320 2.048 10 0 BEAERN CCOC(=O)/C=C/C1(C(OCC)OCC)CC1 ZINC000409434699 343835106 /nfs/dbraw/zinc/83/51/06/343835106.db2.gz ZWCUOWRBFDKSTA-BQYQJAHWSA-N 0 0 242.315 2.285 10 0 BEAERN CCc1[nH]nc(C(C)C)c1CCC(=O)OC ZINC000409438717 343844791 /nfs/dbraw/zinc/84/47/91/343844791.db2.gz FHTMSJCEQWPFRA-UHFFFAOYSA-N 0 0 224.304 2.201 10 0 BEAERN O=c1[nH]c(-c2ccc(F)cc2F)cc(=S)[nH]1 ZINC000409438794 343845372 /nfs/dbraw/zinc/84/53/72/343845372.db2.gz OVITULNGXSQOQF-UHFFFAOYSA-N 0 0 240.234 2.416 10 0 BEAERN COC(=N)CCc1c(C)[nH]nc1C1CC1 ZINC000409438788 343845377 /nfs/dbraw/zinc/84/53/77/343845377.db2.gz FYVCEXGLAYXWCW-UHFFFAOYSA-N 0 0 207.277 2.152 10 0 BEAERN CC(C)n1nc(-c2cnccn2)c2c1CCC2 ZINC000409438865 343845991 /nfs/dbraw/zinc/84/59/91/343845991.db2.gz MSUXRLFLMIPAHS-UHFFFAOYSA-N 0 0 228.299 2.410 10 0 BEAERN COC(=N)CCc1c[nH]nc1-c1ccco1 ZINC000409439088 343846541 /nfs/dbraw/zinc/84/65/41/343846541.db2.gz GTTYMAUGEMBHDW-UHFFFAOYSA-N 0 0 219.244 2.226 10 0 BEAERN CC(C)c1[nH]nc(C2CCC2)c1CCC(N)=O ZINC000409439075 343846636 /nfs/dbraw/zinc/84/66/36/343846636.db2.gz GOHJCVSXFNJPSO-UHFFFAOYSA-N 0 0 235.331 2.219 10 0 BEAERN CCn1nc(-c2cccnc2)c2c1CCC2 ZINC000409439374 343847459 /nfs/dbraw/zinc/84/74/59/343847459.db2.gz PCSDVQAXMXDGLK-UHFFFAOYSA-N 0 0 213.284 2.454 10 0 BEAERN CC(C)Cn1cc(C=O)c(C(F)(F)F)n1 ZINC000409437721 343848405 /nfs/dbraw/zinc/84/84/05/343848405.db2.gz IGWMTPDLLOTXGC-UHFFFAOYSA-N 0 0 220.194 2.370 10 0 BEAERN CCn1cc(C(=O)OC)c(-c2cccs2)n1 ZINC000409438094 343849770 /nfs/dbraw/zinc/84/97/70/343849770.db2.gz JZYFPBPXHQRLAH-UHFFFAOYSA-N 0 0 236.296 2.418 10 0 BEAERN CCc1n[nH]c(C2CCC2)c1C(=O)OC ZINC000409438271 343850407 /nfs/dbraw/zinc/85/04/07/343850407.db2.gz CADFAMYPZASNMP-UHFFFAOYSA-N 0 0 208.261 2.026 10 0 BEAERN Cc1ccc(-c2cc(=S)[nH]c(=O)n2C2CC2)o1 ZINC000409440136 343850628 /nfs/dbraw/zinc/85/06/28/343850628.db2.gz WACTYNAXVMQJCE-UHFFFAOYSA-N 0 0 248.307 2.435 10 0 BEAERN COC(=N)Cn1ccn2nc(C(C)(C)C)cc12 ZINC000409440350 343851732 /nfs/dbraw/zinc/85/17/32/343851732.db2.gz SIZZIYRONSUCSU-UHFFFAOYSA-N 0 0 234.303 2.057 10 0 BEAERN CC(C)c1[nH]nc(-c2ccncc2)c1CO ZINC000409442100 343857296 /nfs/dbraw/zinc/85/72/96/343857296.db2.gz WNZDLYGZYCMESD-UHFFFAOYSA-N 0 0 217.272 2.087 10 0 BEAERN OCCc1c(-c2ccoc2)n[nH]c1C1CCC1 ZINC000409442420 343858395 /nfs/dbraw/zinc/85/83/95/343858395.db2.gz ZSQHBTXMGUACEG-UHFFFAOYSA-N 0 0 232.283 2.472 10 0 BEAERN COC(=O)CCc1c[nH]nc1-c1cccs1 ZINC000409442411 343858555 /nfs/dbraw/zinc/85/85/55/343858555.db2.gz ZQXNCWVAZQCCTK-UHFFFAOYSA-N 0 0 236.296 2.244 10 0 BEAERN N=C(NO)[C@@H](c1ccc(F)cc1)n1cccc1 ZINC000409441566 343859691 /nfs/dbraw/zinc/85/96/91/343859691.db2.gz PTWQQLMNROSBIK-LLVKDONJSA-N 0 0 233.246 2.173 10 0 BEAERN Nc1cc(-c2ccsc2)nn1C[C@H]1CCCO1 ZINC000409441469 343859711 /nfs/dbraw/zinc/85/97/11/343859711.db2.gz YGHWPFFTJVPUJQ-SNVBAGLBSA-N 0 0 249.339 2.373 10 0 BEAERN COC(=N)c1cc(-c2ccccc2)[nH]n1 ZINC000409443900 343863473 /nfs/dbraw/zinc/86/34/73/343863473.db2.gz WHAVKCBHCCVVFC-UHFFFAOYSA-N 0 0 201.229 2.048 10 0 BEAERN N=C(NO)[C@@H](c1cccs1)n1cccc1 ZINC000409442690 343864046 /nfs/dbraw/zinc/86/40/46/343864046.db2.gz ZGZMCAYZWHBGEN-SECBINFHSA-N 0 0 221.285 2.095 10 0 BEAERN O=Cc1cc(-c2ccccn2)nn1CC1CC1 ZINC000409443526 343867716 /nfs/dbraw/zinc/86/77/16/343867716.db2.gz OQGZIPUVAGRFQA-UHFFFAOYSA-N 0 0 227.267 2.168 10 0 BEAERN COC(=O)c1cc(CC2CC2)nc(C2CC2)n1 ZINC000575622508 343869250 /nfs/dbraw/zinc/86/92/50/343869250.db2.gz MZNICQPNCWULMP-UHFFFAOYSA-N 0 0 232.283 2.093 10 0 BEAERN COC(=O)c1cc(C(F)F)nc(C2CC2)n1 ZINC000575622501 343869416 /nfs/dbraw/zinc/86/94/16/343869416.db2.gz MYFCYCMXLWPERZ-UHFFFAOYSA-N 0 0 228.198 2.078 10 0 BEAERN CCn1c(=O)cc(CCC2CCCC2)[nH]c1=O ZINC000575622051 343870902 /nfs/dbraw/zinc/87/09/02/343870902.db2.gz JKZGGYUTBNJHDD-UHFFFAOYSA-N 0 0 236.315 2.092 10 0 BEAERN CC(C)(C)OC(=O)NCC(=O)c1ccsc1 ZINC000146017833 537827064 /nfs/dbraw/zinc/82/70/64/537827064.db2.gz SACIFGJLQWSJDL-UHFFFAOYSA-N 0 0 241.312 2.456 10 0 BEAERN NN[C@@H](c1ncc(Cl)cc1Cl)C1CC1 ZINC000128423504 347004895 /nfs/dbraw/zinc/00/48/95/347004895.db2.gz YEZPVIJKOOFSDS-MRVPVSSYSA-N 0 0 232.114 2.303 10 0 BEAERN Cc1co[nH]c1=NCc1scnc1C1CC1 ZINC000336747710 537834094 /nfs/dbraw/zinc/83/40/94/537834094.db2.gz XLFSENJUAUDMMO-UHFFFAOYSA-N 0 0 235.312 2.351 10 0 BEAERN CC(C)(O)c1nc2ccc(O)cc2s1 ZINC000075845957 187278413 /nfs/dbraw/zinc/27/84/13/187278413.db2.gz UCVXXDSVSSMRIW-UHFFFAOYSA-N 0 0 209.270 2.229 10 0 BEAERN Cc1cn(CCc2ccccc2)nc1N ZINC000069760224 537832938 /nfs/dbraw/zinc/83/29/38/537832938.db2.gz IUWQKABKRLDRBG-UHFFFAOYSA-N 0 0 201.273 2.016 10 0 BEAERN C[NH+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1Cl ZINC000234285618 343936326 /nfs/dbraw/zinc/93/63/26/343936326.db2.gz XXEUBEYXSNJGDH-SECBINFHSA-N 0 0 231.654 2.166 10 0 BEAERN Cc1ccnc(N(C)C)c1Br ZINC000234288953 343936335 /nfs/dbraw/zinc/93/63/35/343936335.db2.gz MUPLZRLBQFMPCU-UHFFFAOYSA-N 0 0 215.094 2.219 10 0 BEAERN CC(C)[C@H](O)c1cc(Cl)cnc1N ZINC000069943342 343944661 /nfs/dbraw/zinc/94/46/61/343944661.db2.gz COGFMXLSDPAVFR-QMMMGPOBSA-N 0 0 200.669 2.007 10 0 BEAERN CC(C)n1cc(Nc2nncs2)cn1 ZINC000069966818 343945200 /nfs/dbraw/zinc/94/52/00/343945200.db2.gz YKNYZSXIKMZUIF-UHFFFAOYSA-N 0 0 209.278 2.059 10 0 BEAERN COC(=O)/C=C(\C)COc1ccc(C)cc1 ZINC000309585425 343933391 /nfs/dbraw/zinc/93/33/91/343933391.db2.gz VJFCBFPUYSCGDC-DHZHZOJOSA-N 0 0 220.268 2.493 10 0 BEAERN O[C@@]1(c2ccc(Cl)cc2)CCCOC1 ZINC000070017525 343947016 /nfs/dbraw/zinc/94/70/16/343947016.db2.gz FIWGBJPUAQXFQB-NSHDSACASA-N 0 0 212.676 2.338 10 0 BEAERN CC(C)Cc1[nH]nc(N)c1-c1ccccn1 ZINC000077308414 187280081 /nfs/dbraw/zinc/28/00/81/187280081.db2.gz YHPCNWDXZUMAGD-UHFFFAOYSA-N 0 0 216.288 2.252 10 0 BEAERN CC[C@H](C)Nc1[nH+]ccc(C)c1C(=O)[O-] ZINC000135218198 343972382 /nfs/dbraw/zinc/97/23/82/343972382.db2.gz ROBBLVHMMWZCAF-QMMMGPOBSA-N 0 0 208.261 2.299 10 0 BEAERN Brc1nnc([C@@H]2CCCCO2)o1 ZINC000157854017 344041959 /nfs/dbraw/zinc/04/19/59/344041959.db2.gz HFEAUDVBSQFIPG-YFKPBYRVSA-N 0 0 233.065 2.074 10 0 BEAERN CN(c1cc(Cl)nnc1Cl)C1CC1 ZINC000127219241 344042087 /nfs/dbraw/zinc/04/20/87/344042087.db2.gz RBETUFNBKQGNIN-UHFFFAOYSA-N 0 0 218.087 2.382 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)s2)[C@H](C)CO1 ZINC000070609253 343953052 /nfs/dbraw/zinc/95/30/52/343953052.db2.gz FZOBWULBKKJWMR-RKDXNWHRSA-N 0 0 225.313 2.174 10 0 BEAERN C[C@@H]1C[C@](O)(CCC(F)(F)F)CCO1 ZINC000070917407 343957442 /nfs/dbraw/zinc/95/74/42/343957442.db2.gz DVEIAJGGDYLSHF-SFYZADRCSA-N 0 0 212.211 2.259 10 0 BEAERN CC(C)(C)OC(=O)C=C(N)Cc1ccccc1 ZINC000211339236 343960911 /nfs/dbraw/zinc/96/09/11/343960911.db2.gz VEJUKKPCPBFPPR-BENRWUELSA-N 0 0 233.311 2.413 10 0 BEAERN C[C@H](NN)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000127229583 344056138 /nfs/dbraw/zinc/05/61/38/344056138.db2.gz ZWZGYZUBOBVMIL-FXQIFTODSA-N 0 0 210.243 2.207 10 0 BEAERN C[C@@H](c1nnc(Br)o1)C1CC1 ZINC000157868741 344058739 /nfs/dbraw/zinc/05/87/39/344058739.db2.gz CXYYLIMDTWBZHM-SCSAIBSYSA-N 0 0 217.066 2.346 10 0 BEAERN O=C([O-])[C@H]1[NH2+]CCc2cc(Cl)cc(Cl)c21 ZINC000082786200 187283705 /nfs/dbraw/zinc/28/37/05/187283705.db2.gz YPEQCGPOECMKAH-VIFPVBQESA-N 0 0 246.093 2.265 10 0 BEAERN COC(=O)C=CNC1CCC(C)(C)CC1 ZINC000234559722 344070140 /nfs/dbraw/zinc/07/01/40/344070140.db2.gz KYVNAIMIWVXCTD-RMKNXTFCSA-N 0 0 211.305 2.232 10 0 BEAERN C[C@H]1CCS[C@H](c2cscn2)N1 ZINC000126789946 344103280 /nfs/dbraw/zinc/10/32/80/344103280.db2.gz FVJSRAREGWODJW-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN O[C@@H](CC(F)(F)F)c1ccncc1F ZINC000157406924 344088580 /nfs/dbraw/zinc/08/85/80/344088580.db2.gz VOFXJZYPYXFDAB-ZETCQYMHSA-N 0 0 209.142 2.207 10 0 BEAERN O[C@@H](c1ccncc1F)[C@@H]1CCCS1 ZINC000157423694 344098656 /nfs/dbraw/zinc/09/86/56/344098656.db2.gz LQTBLTHAKWTYRU-UWVGGRQHSA-N 0 0 213.277 2.150 10 0 BEAERN COc1c(Br)ccc(C)c1N ZINC000220231816 344120077 /nfs/dbraw/zinc/12/00/77/344120077.db2.gz PISJURSAAXTVIB-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN CCCCOCCNC(=O)N[C@@H](C)C(C)C ZINC000127304099 344127694 /nfs/dbraw/zinc/12/76/94/344127694.db2.gz JWZGUBVUODMAGZ-NSHDSACASA-N 0 0 230.352 2.147 10 0 BEAERN CC(=O)OCc1ccc(F)c(Br)n1 ZINC000215636315 344130216 /nfs/dbraw/zinc/13/02/16/344130216.db2.gz UZBWWRPTTWLBTC-UHFFFAOYSA-N 0 0 248.051 2.046 10 0 BEAERN Nc1c(CCO)cccc1C(=O)c1ccccc1 ZINC000026381018 344139081 /nfs/dbraw/zinc/13/90/81/344139081.db2.gz UNEVZJVZHHYSCU-UHFFFAOYSA-N 0 0 241.290 2.035 10 0 BEAERN CCO[C@H](C)S[C@H]1CCCC[C@@H]1O ZINC000220294798 344139153 /nfs/dbraw/zinc/13/91/53/344139153.db2.gz GWNOCTHYMOWIMD-GUBZILKMSA-N 0 0 204.335 2.406 10 0 BEAERN Cn1c(C=O)nc2cc(Br)ccc21 ZINC000082328908 344154537 /nfs/dbraw/zinc/15/45/37/344154537.db2.gz ZAJSAYQLLBKWQQ-UHFFFAOYSA-N 0 0 239.072 2.148 10 0 BEAERN COC(=O)c1c(N)ccc(C2CC2)c1F ZINC000234592731 344154744 /nfs/dbraw/zinc/15/47/44/344154744.db2.gz XOBBXHDXKIERNE-UHFFFAOYSA-N 0 0 209.220 2.072 10 0 BEAERN COC(=O)c1nc(N)sc1C1CCCC1 ZINC000234594813 344155281 /nfs/dbraw/zinc/15/52/81/344155281.db2.gz JFJBCTUDCGZTBE-UHFFFAOYSA-N 0 0 226.301 2.170 10 0 BEAERN COc1ccc(OC)c([C@@H]2CCC[C@H]2O)c1 ZINC000055234910 259373967 /nfs/dbraw/zinc/37/39/67/259373967.db2.gz QDKGJCFWZGXIJM-CMPLNLGQSA-N 0 0 222.284 2.332 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(F)cnc1Cl ZINC000220330379 344236483 /nfs/dbraw/zinc/23/64/83/344236483.db2.gz JXEOYDHVWSBKOD-ZCFIWIBFSA-N 0 0 230.670 2.402 10 0 BEAERN COc1ccc([C@@H]2CCC[C@@H]2O)c(OC)c1 ZINC000055233030 259374096 /nfs/dbraw/zinc/37/40/96/259374096.db2.gz APENRJFZANKMHC-JQWIXIFHSA-N 0 0 222.284 2.332 10 0 BEAERN CCC[C@@H](C)C(=O)Nc1ncc(N)cc1OC ZINC000616572453 344183809 /nfs/dbraw/zinc/18/38/09/344183809.db2.gz NBCPJZJJJJYQHZ-MRVPVSSYSA-N 0 0 237.303 2.047 10 0 BEAERN Cc1cc(F)ccc1C1(O)CCC(=O)CC1 ZINC000084323113 344190539 /nfs/dbraw/zinc/19/05/39/344190539.db2.gz UHDBXNFSLANPPE-UHFFFAOYSA-N 0 0 222.259 2.465 10 0 BEAERN COc1cncc(C)c1I ZINC000306551451 344263727 /nfs/dbraw/zinc/26/37/27/344263727.db2.gz AMFYWKHJHKJYOI-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN Cc1ncc(C(=O)c2cncc(F)c2)s1 ZINC000235949192 344273199 /nfs/dbraw/zinc/27/31/99/344273199.db2.gz YXUJURLBQAOIRP-UHFFFAOYSA-N 0 0 222.244 2.217 10 0 BEAERN O=c1cc(-c2ccc(Cl)s2)cn[nH]1 ZINC000236042018 344287810 /nfs/dbraw/zinc/28/78/10/344287810.db2.gz JZXIGBJAEGIRCS-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN CN1CC(=O)N=C1CSC(C)(C)C ZINC000236061811 344291148 /nfs/dbraw/zinc/29/11/48/344291148.db2.gz YCFPBHCJZIGDPX-UHFFFAOYSA-N 0 0 200.307 2.157 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CSC1CCOCC1 ZINC000131213863 344243953 /nfs/dbraw/zinc/24/39/53/344243953.db2.gz SLNFTMYNIXOZJM-SNVBAGLBSA-N 0 0 245.388 2.059 10 0 BEAERN NNc1cc(F)c(Br)cc1F ZINC000142513473 344324299 /nfs/dbraw/zinc/32/42/99/344324299.db2.gz AASCFBYTFGILEC-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN COc1ccc2cc[nH]c(=O)c2c1Cl ZINC000220636946 344334179 /nfs/dbraw/zinc/33/41/79/344334179.db2.gz XMNMLBCFROPXIM-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN CC(C)[C@@H]1Nc2cc(F)c(F)cc2NC1=O ZINC000098095132 187290728 /nfs/dbraw/zinc/29/07/28/187290728.db2.gz XKNFGNJTVMDODR-JTQLQIEISA-N 0 0 226.226 2.353 10 0 BEAERN N[C@H](c1ccoc1)c1ncccc1Cl ZINC000236331587 344355910 /nfs/dbraw/zinc/35/59/10/344355910.db2.gz FKZKYNXTKIHIFE-SECBINFHSA-N 0 0 208.648 2.376 10 0 BEAERN C[C@@H](O)c1ccc(Br)c(C#N)c1 ZINC000219999522 344307346 /nfs/dbraw/zinc/30/73/46/344307346.db2.gz BTKDGCRHFBBJPR-ZCFIWIBFSA-N 0 0 226.073 2.374 10 0 BEAERN COc1cc2c(cc1Cl)CCCNC2=O ZINC000217966448 344425455 /nfs/dbraw/zinc/42/54/55/344425455.db2.gz SQLQQDBAUOWSPX-UHFFFAOYSA-N 0 0 225.675 2.025 10 0 BEAERN CC(C)Oc1ccc2c(c1Cl)C(=O)NC2 ZINC000217966561 344425573 /nfs/dbraw/zinc/42/55/73/344425573.db2.gz GKBNMARQDKCGPS-UHFFFAOYSA-N 0 0 225.675 2.371 10 0 BEAERN CN(C)c1ccc(Br)c(F)n1 ZINC000217981423 344428451 /nfs/dbraw/zinc/42/84/51/344428451.db2.gz JNHAZCBYLGTZLC-UHFFFAOYSA-N 0 0 219.057 2.049 10 0 BEAERN C[C@@H]1C[C@H]1c1nsc(Br)n1 ZINC000166044649 344432418 /nfs/dbraw/zinc/43/24/18/344432418.db2.gz GSNPGFUUUPJNGV-QWWZWVQMSA-N 0 0 219.107 2.424 10 0 BEAERN OC[C@H]1CCCC[C@H]1Nc1cc(C2CC2)ncn1 ZINC000641388364 362387816 /nfs/dbraw/zinc/38/78/16/362387816.db2.gz RNGGYFJQZMROEP-VXGBXAGGSA-N 0 0 247.342 2.317 10 0 BEAERN OC[C@@H]1CCCC[C@@H]1Nc1cc(C2CC2)ncn1 ZINC000641388363 362387950 /nfs/dbraw/zinc/38/79/50/362387950.db2.gz RNGGYFJQZMROEP-RYUDHWBXSA-N 0 0 247.342 2.317 10 0 BEAERN Cc1nccn1-c1cccc(Br)n1 ZINC000044116900 344394152 /nfs/dbraw/zinc/39/41/52/344394152.db2.gz MZRRMVGNEHRLLV-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Nc1ccc2oc(=O)n(Cc3ccccc3)c2c1 ZINC000011632543 344395926 /nfs/dbraw/zinc/39/59/26/344395926.db2.gz VTFQUUZGVFAYCS-UHFFFAOYSA-N 0 0 240.262 2.225 10 0 BEAERN Fc1ccc(OC[C@H]2CO2)cc1Cl ZINC000036459607 344404455 /nfs/dbraw/zinc/40/44/55/344404455.db2.gz PHEDKFOYOQFXLN-ZETCQYMHSA-N 0 0 202.612 2.257 10 0 BEAERN COc1cccc([C@@H]2CCCC(=O)O2)c1 ZINC000139565351 344405568 /nfs/dbraw/zinc/40/55/68/344405568.db2.gz IDRQCIDPLRHWOC-NSHDSACASA-N 0 0 206.241 2.463 10 0 BEAERN COC(=O)[C@@]1(C(C)C)Cc2ccccc2O1 ZINC000139599651 344418926 /nfs/dbraw/zinc/41/89/26/344418926.db2.gz TULBKEHQBNEMDS-ZDUSSCGKSA-N 0 0 220.268 2.189 10 0 BEAERN COC[C@H](C)C(=O)N(CCC(C)C)C1CC1 ZINC000103372554 187291385 /nfs/dbraw/zinc/29/13/85/187291385.db2.gz HWWFYMTUCXNODV-NSHDSACASA-N 0 0 227.348 2.306 10 0 BEAERN Brc1nc2c(o1)CCCC2 ZINC000107144303 344479486 /nfs/dbraw/zinc/47/94/86/344479486.db2.gz NKRYFEFSYQRXAW-UHFFFAOYSA-N 0 0 202.051 2.316 10 0 BEAERN CCN(C(=O)c1ccc2c(c1)CCN2)C1CC1 ZINC000037080060 344487572 /nfs/dbraw/zinc/48/75/72/344487572.db2.gz PNWSXSOACUUPGE-UHFFFAOYSA-N 0 0 230.311 2.279 10 0 BEAERN COC(=O)CCC(=O)c1cccc(C)c1C ZINC000043368584 344491939 /nfs/dbraw/zinc/49/19/39/344491939.db2.gz RDHAYRKCWITIIQ-UHFFFAOYSA-N 0 0 220.268 2.439 10 0 BEAERN COC(=O)CCC(=O)c1ccccc1Cl ZINC000043368587 344492050 /nfs/dbraw/zinc/49/20/50/344492050.db2.gz VTSMNQKYZQYHNQ-UHFFFAOYSA-N 0 0 226.659 2.476 10 0 BEAERN CCC[C@H](C)NC(=O)NCc1cscn1 ZINC000051309640 347053321 /nfs/dbraw/zinc/05/33/21/347053321.db2.gz ZHACGHFEFFHJMQ-QMMMGPOBSA-N 0 0 227.333 2.131 10 0 BEAERN CCC[C@](C)([NH3+])C(=O)NCC1CCCCC1 ZINC000037481385 344508962 /nfs/dbraw/zinc/50/89/62/344508962.db2.gz CVUHWJQZWJQEIC-ZDUSSCGKSA-N 0 0 226.364 2.200 10 0 BEAERN COc1ccc(CO)cc1OC1CCC1 ZINC000214900721 537847257 /nfs/dbraw/zinc/84/72/57/537847257.db2.gz VPXIIDIJKJCVEU-UHFFFAOYSA-N 0 0 208.257 2.119 10 0 BEAERN Cc1ccnc(NC2CCC(O)CC2)c1 ZINC000043561393 344528186 /nfs/dbraw/zinc/52/81/86/344528186.db2.gz UNBLMDBHIQJQDJ-UHFFFAOYSA-N 0 0 206.289 2.105 10 0 BEAERN CC(C)c1nccn1C[C@@H](O)C(C)(C)C ZINC000044185248 344538025 /nfs/dbraw/zinc/53/80/25/344538025.db2.gz SMCNWUBFROXVOV-SNVBAGLBSA-N 0 0 210.321 2.414 10 0 BEAERN CCC1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000127456933 344541827 /nfs/dbraw/zinc/54/18/27/344541827.db2.gz DZLPGZLWZVDHQB-UHFFFAOYSA-N 0 0 240.391 2.412 10 0 BEAERN C[C@@H]1C(=O)c2ccc(F)cc2[S@](=O)[C@@H]1C ZINC000230386083 344568050 /nfs/dbraw/zinc/56/80/50/344568050.db2.gz PKPRFHHJGHYEIJ-PUEPSQOVSA-N 0 0 226.272 2.154 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)c(C)n1 ZINC000177694277 344580662 /nfs/dbraw/zinc/58/06/62/344580662.db2.gz WNJGZXPFPNUXMZ-CABZTGNLSA-N 0 0 234.299 2.204 10 0 BEAERN C[C@H](C1CC1)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127659749 344584674 /nfs/dbraw/zinc/58/46/74/344584674.db2.gz JPZMVDQGCVWJNP-SKDRFNHKSA-N 0 0 211.305 2.114 10 0 BEAERN N#CCc1c(N)ccc(C(F)(F)F)c1F ZINC000396044847 344584903 /nfs/dbraw/zinc/58/49/03/344584903.db2.gz ZKGSPTDJUNEUNJ-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN CN(C)c1ccc(O)c(OC(F)(F)F)c1 ZINC000396126919 344609694 /nfs/dbraw/zinc/60/96/94/344609694.db2.gz OEQXZNQADGDANM-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN CCOc1c(OC)cc(F)cc1OC ZINC000396125460 344609861 /nfs/dbraw/zinc/60/98/61/344609861.db2.gz INKKRAWVTNIMAX-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CN(C)c1cc(O)ccc1OC(F)(F)F ZINC000396128592 344611799 /nfs/dbraw/zinc/61/17/99/344611799.db2.gz VMWZZRQIISGBDE-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN CCOC(=O)c1cc(OC)cc(F)c1OC ZINC000396130478 344612142 /nfs/dbraw/zinc/61/21/42/344612142.db2.gz YNAMLIDNCCNZCP-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN COc1ccc(F)c(OC)c1OC(F)F ZINC000396130031 344612180 /nfs/dbraw/zinc/61/21/80/344612180.db2.gz WXGUTJYYEFAFJB-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN COC(=O)c1ccc(Cl)c(OC(F)F)n1 ZINC000396135312 344613064 /nfs/dbraw/zinc/61/30/64/344613064.db2.gz HTCQIZOTYKQBIY-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1cc(O)c(C#N)cc1CC ZINC000396136635 344613472 /nfs/dbraw/zinc/61/34/72/344613472.db2.gz LNMHVXNURATIIR-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(CC)c(O)cc1C#N ZINC000396139188 344614692 /nfs/dbraw/zinc/61/46/92/344614692.db2.gz TVUXBAMSERGSAY-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1c(O)ccc(C#N)c1CC ZINC000396140166 344615121 /nfs/dbraw/zinc/61/51/21/344615121.db2.gz XGLMFLXPZBHFSP-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(F)cc(C)c1C#N ZINC000396141008 344615402 /nfs/dbraw/zinc/61/54/02/344615402.db2.gz CGZOZYMMUIXEQS-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1c(C)c(C#N)ccc1F ZINC000396140861 344615461 /nfs/dbraw/zinc/61/54/61/344615461.db2.gz CDKYSDYLHJRLPU-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)Cc1c(C)cc(C#N)cc1Cl ZINC000396141081 344615563 /nfs/dbraw/zinc/61/55/63/344615563.db2.gz COYLIPIDYFONQC-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(C#N)c(Cl)cc1F ZINC000396141059 344615682 /nfs/dbraw/zinc/61/56/82/344615682.db2.gz CLMPOHCHPPDEET-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(C#N)c1C ZINC000396141443 344615841 /nfs/dbraw/zinc/61/58/41/344615841.db2.gz DJWYINHDPRTRBG-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(F)c1C#N ZINC000396142576 344616357 /nfs/dbraw/zinc/61/63/57/344616357.db2.gz ITWHPDSOCNDABD-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(CC)c1O ZINC000396142159 344616470 /nfs/dbraw/zinc/61/64/70/344616470.db2.gz HORACORPIKWGGY-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(O)c(C#N)c(CC)c1 ZINC000396143013 344616913 /nfs/dbraw/zinc/61/69/13/344616913.db2.gz KXOIYWYAODXYBN-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1c(F)cc(F)cc1C#N ZINC000396145515 344618641 /nfs/dbraw/zinc/61/86/41/344618641.db2.gz SYEIPWAYGKQQJB-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(F)c1C ZINC000396144697 344617735 /nfs/dbraw/zinc/61/77/35/344617735.db2.gz PVQLOPYBGQXOEH-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)c1c(Cl)c(C#N)ccc1OC ZINC000396144553 344617894 /nfs/dbraw/zinc/61/78/94/344617894.db2.gz DKYCQEULDCVXBH-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN COC(=O)c1c(F)ccc(F)c1OC(F)F ZINC000396102708 344602857 /nfs/dbraw/zinc/60/28/57/344602857.db2.gz IZLGPWPMORAENS-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COC(=O)c1cc(F)c(F)c(OC(F)F)c1 ZINC000396105872 344603208 /nfs/dbraw/zinc/60/32/08/344603208.db2.gz OUIDJAHWCMGCDY-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COc1cc(N)cc(F)c1OC(F)(F)F ZINC000396105882 344603210 /nfs/dbraw/zinc/60/32/10/344603210.db2.gz OVPKWWXUSQTOQD-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1c(N)ccc(OC(F)(F)F)c1F ZINC000396105891 344603470 /nfs/dbraw/zinc/60/34/70/344603470.db2.gz OXASTQIHTFIFSM-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1cc(N)c(OC(F)(F)F)cc1F ZINC000396107788 344603962 /nfs/dbraw/zinc/60/39/62/344603962.db2.gz ULHODIMHBBXIBG-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN Nc1cc(F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000396111962 344605382 /nfs/dbraw/zinc/60/53/82/344605382.db2.gz AIDRYKRMSIOQMH-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1cc(C)c(F)c(C#N)c1 ZINC000396144970 344618154 /nfs/dbraw/zinc/61/81/54/344618154.db2.gz RJIUVBJMQBYYAV-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN Nc1cc(C(F)(F)F)cc(F)c1[N+](=O)[O-] ZINC000396115045 344606396 /nfs/dbraw/zinc/60/63/96/344606396.db2.gz HIRRCRNVHATMPV-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN Nc1cc([N+](=O)[O-])cc(F)c1C(F)(F)F ZINC000396116199 344606481 /nfs/dbraw/zinc/60/64/81/344606481.db2.gz IUJDUJYUSTWWJN-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1C ZINC000396116680 344606951 /nfs/dbraw/zinc/60/69/51/344606951.db2.gz JQLNPRQMGJIWQC-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CN(C)c1cccc(OC(F)(F)F)c1C=O ZINC000396118077 344607494 /nfs/dbraw/zinc/60/74/94/344607494.db2.gz LZVCHEMSIPYZLI-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN CCOC(=O)c1ccc(C)c(F)c1[N+](=O)[O-] ZINC000396119045 344607834 /nfs/dbraw/zinc/60/78/34/344607834.db2.gz OEFMPGMBWLVARK-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN Nc1ccc(C(F)(F)F)c(F)c1[N+](=O)[O-] ZINC000396118542 344607878 /nfs/dbraw/zinc/60/78/78/344607878.db2.gz MIZRLVVQNJNXKV-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1cc(C)cc(OC)c1C ZINC000396119709 344608087 /nfs/dbraw/zinc/60/80/87/344608087.db2.gz KXOZHGQETBNWFE-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN CN(C)c1cccc(C=O)c1OC(F)(F)F ZINC000396120000 344608482 /nfs/dbraw/zinc/60/84/82/344608482.db2.gz QWDFLJAQTVGKPZ-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN OC1(c2nc(Br)cs2)CCC1 ZINC000127792375 344652599 /nfs/dbraw/zinc/65/25/99/344652599.db2.gz KMOOYUITWSRPPJ-UHFFFAOYSA-N 0 0 234.118 2.277 10 0 BEAERN COc1cc(O)c(C)c(Br)c1 ZINC000215480602 344677168 /nfs/dbraw/zinc/67/71/68/344677168.db2.gz PFAPMENYLJCVCR-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN Oc1ccccc1SCc1ncon1 ZINC000050046960 344620042 /nfs/dbraw/zinc/62/00/42/344620042.db2.gz KABRRCQSMQAWAJ-UHFFFAOYSA-N 0 0 208.242 2.068 10 0 BEAERN CCOC(=O)Cc1c(F)cc(C#N)cc1Cl ZINC000396147554 344620945 /nfs/dbraw/zinc/62/09/45/344620945.db2.gz MBHHWBBNNQWMGH-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1F ZINC000396147498 344621081 /nfs/dbraw/zinc/62/10/81/344621081.db2.gz LVWGMEAVQCNEIS-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1cc(OC)cc(C#N)c1C ZINC000396147628 344621183 /nfs/dbraw/zinc/62/11/83/344621183.db2.gz FYNQXNITXGCIKA-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)c1cc(Cl)cc(OC)c1C#N ZINC000396147906 344621540 /nfs/dbraw/zinc/62/15/40/344621540.db2.gz YZFVJZZCUVZYNO-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1cc(C#N)c(C=O)cc1Cl ZINC000396149973 344622838 /nfs/dbraw/zinc/62/28/38/344622838.db2.gz ACPYKUCVPJZNRV-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1ccc(C#N)c(CC(=O)OC)c1C ZINC000396151194 344624227 /nfs/dbraw/zinc/62/42/27/344624227.db2.gz QMGSSWXXTFEJGJ-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)Cc1cc(F)c(C#N)c(Cl)c1 ZINC000396154185 344626160 /nfs/dbraw/zinc/62/61/60/344626160.db2.gz UDXQWZIEODCMKR-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1cc(C#N)c(C)cc1F ZINC000396155097 344626818 /nfs/dbraw/zinc/62/68/18/344626818.db2.gz GAUZOIGKZFOQMV-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)Cc1c(F)ccc(Cl)c1C#N ZINC000396154969 344626842 /nfs/dbraw/zinc/62/68/42/344626842.db2.gz VIHVJLSJZGKAJU-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)Cc1cc(C)c([N+](=O)[O-])c(Cl)c1 ZINC000396156919 344628138 /nfs/dbraw/zinc/62/81/38/344628138.db2.gz ISTXMPMTNZJTEJ-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN COC(=O)Cc1cc(C#N)cc(F)c1Cl ZINC000396157368 344629005 /nfs/dbraw/zinc/62/90/05/344629005.db2.gz YSDQYBDNJKSTEW-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(C#N)c1F ZINC000396157688 344629073 /nfs/dbraw/zinc/62/90/73/344629073.db2.gz JNXDVOKJZBBIKC-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)c1c(F)cc(C(F)F)cc1C#N ZINC000396158231 344629169 /nfs/dbraw/zinc/62/91/69/344629169.db2.gz KGKCIFUAMMVYIJ-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1cc(C=O)cc(Cl)c1C#N ZINC000396169980 344630837 /nfs/dbraw/zinc/63/08/37/344630837.db2.gz ZRVASZVHEDXPFX-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1C ZINC000396158442 344631965 /nfs/dbraw/zinc/63/19/65/344631965.db2.gz KSMFQCVXLAONON-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1c(F)ccc(CC)c1C#N ZINC000396158452 344631976 /nfs/dbraw/zinc/63/19/76/344631976.db2.gz KTXWDDHBIYQIFX-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)Cc1cc(C)c(F)cc1C#N ZINC000396158985 344632487 /nfs/dbraw/zinc/63/24/87/344632487.db2.gz KWZOMOVVPATGAC-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1c(C#N)ccc(C)c1F ZINC000396159070 344632520 /nfs/dbraw/zinc/63/25/20/344632520.db2.gz LWSLPPGEPMHEDK-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)c1cc(C#N)c(C)cc1OC ZINC000396162141 344634217 /nfs/dbraw/zinc/63/42/17/344634217.db2.gz ZYYIMXQLMZXTSZ-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(C)c(C(=O)OC)cc1C#N ZINC000396164989 344635421 /nfs/dbraw/zinc/63/54/21/344635421.db2.gz RXBIXTHYHXWTEE-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)c1ccc(F)c(C#N)c1CC ZINC000396165313 344635948 /nfs/dbraw/zinc/63/59/48/344635948.db2.gz SWJWXGGXFFTACM-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN COC(=O)c1c(C#N)c(F)ccc1C(F)F ZINC000396167052 344636389 /nfs/dbraw/zinc/63/63/89/344636389.db2.gz VQCRNSMZALOTBK-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CN(Cc1ccsc1)[C@@H]1CCCC1=O ZINC000050134094 344647239 /nfs/dbraw/zinc/64/72/39/344647239.db2.gz FWTPJIBMUKDGDS-SNVBAGLBSA-N 0 0 209.314 2.302 10 0 BEAERN Cc1csc(N[C@H](C)[C@@H]2CCOC2)n1 ZINC000158688894 344720009 /nfs/dbraw/zinc/72/00/09/344720009.db2.gz TWFMZZBTJKXVGF-RKDXNWHRSA-N 0 0 212.318 2.288 10 0 BEAERN CSCc1nc(C)c(C)c(=S)[nH]1 ZINC000235048098 344750749 /nfs/dbraw/zinc/75/07/49/344750749.db2.gz RUZALAICHNDVRB-UHFFFAOYSA-N 0 0 200.332 2.245 10 0 BEAERN Cc1nc(C[C@@H](O)C(F)(F)Cl)sc1C ZINC000158721250 344732542 /nfs/dbraw/zinc/73/25/42/344732542.db2.gz NCNJZLXWHLIWRB-ZCFIWIBFSA-N 0 0 241.690 2.495 10 0 BEAERN Cc1cccc(C)c1C[C@H](O)C(F)F ZINC000158727180 344733117 /nfs/dbraw/zinc/73/31/17/344733117.db2.gz ZRDDJGALQTYGNN-JTQLQIEISA-N 0 0 200.228 2.472 10 0 BEAERN C[C@H]1CC[C@H](n2c(CO)c[nH]c2=S)C1 ZINC000128083802 344734578 /nfs/dbraw/zinc/73/45/78/344734578.db2.gz ZNPKKWVECRFMLG-YUMQZZPRSA-N 0 0 212.318 2.025 10 0 BEAERN Clc1noc(-c2ccncc2Cl)n1 ZINC000158586749 344685594 /nfs/dbraw/zinc/68/55/94/344685594.db2.gz OHAFJFMKMXKPQL-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN COc1csc(-c2nc(Cl)no2)c1 ZINC000158599011 344687642 /nfs/dbraw/zinc/68/76/42/344687642.db2.gz FZOZHMCPXMRERM-UHFFFAOYSA-N 0 0 216.649 2.460 10 0 BEAERN Cc1ccc(N)c(C)c1OC[C@H]1CCCO1 ZINC000050123060 178703759 /nfs/dbraw/zinc/70/37/59/178703759.db2.gz ZHNKPWBBPIKARB-LLVKDONJSA-N 0 0 221.300 2.443 10 0 BEAERN COc1ccc(-c2nc(Cl)no2)cc1 ZINC000158591762 344689503 /nfs/dbraw/zinc/68/95/03/344689503.db2.gz PAAGFNFDYNOSCK-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN COc1cccnc1[C@@H]1CCC(=O)[C@H]1C ZINC000235035197 344748493 /nfs/dbraw/zinc/74/84/93/344748493.db2.gz SJFMPDMMBQWSRK-DTWKUNHWSA-N 0 0 205.257 2.173 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000330305393 537855273 /nfs/dbraw/zinc/85/52/73/537855273.db2.gz QPQXPNFOBBURAD-APPZFPTMSA-N 0 0 247.323 2.276 10 0 BEAERN Fc1ccc([C@H]2NCCS2)cc1F ZINC000050522679 344706061 /nfs/dbraw/zinc/70/60/61/344706061.db2.gz HDGYWGXLFFRQBN-VIFPVBQESA-N 0 0 201.241 2.300 10 0 BEAERN O=C(Cc1ccccn1)C(F)(F)Cl ZINC000158668781 344712697 /nfs/dbraw/zinc/71/26/97/344712697.db2.gz PPZNUMOKGSOYPQ-UHFFFAOYSA-N 0 0 205.591 2.025 10 0 BEAERN Cc1ccncc1C(=O)C(F)(F)Cl ZINC000158664839 344712788 /nfs/dbraw/zinc/71/27/88/344712788.db2.gz AFAKJYIYMVAWSJ-UHFFFAOYSA-N 0 0 205.591 2.404 10 0 BEAERN CC(=O)[C@H](C)n1nc(C)c(Br)c1C ZINC000050593748 344716906 /nfs/dbraw/zinc/71/69/06/344716906.db2.gz HPOHLJLYBVOCLN-LURJTMIESA-N 0 0 245.120 2.412 10 0 BEAERN CS[C@@H]1CCCC[C@@H]1NC(=O)n1ccnc1 ZINC000235081955 344774818 /nfs/dbraw/zinc/77/48/18/344774818.db2.gz KRNOFRZZVCSDAJ-VHSXEESVSA-N 0 0 239.344 2.115 10 0 BEAERN Cc1ccc(N2CCCO[C@@H](C)C2)c(N)c1 ZINC000061916765 178712397 /nfs/dbraw/zinc/71/23/97/178712397.db2.gz ZUZXPMQINSKGSV-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN COC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050347493 344784027 /nfs/dbraw/zinc/78/40/27/344784027.db2.gz HKZJETMHPJLVNF-SNVBAGLBSA-N 0 0 227.348 2.306 10 0 BEAERN Cc1c(Cl)ncnc1NC(C)(C)[C@@H](C)O ZINC000128457783 347079661 /nfs/dbraw/zinc/07/96/61/347079661.db2.gz MLLXDINIKPLVFV-SSDOTTSWSA-N 0 0 229.711 2.010 10 0 BEAERN C[C@@H]1CCC(O)=C(C(=O)C(C)(F)F)C1 ZINC000300853869 537865597 /nfs/dbraw/zinc/86/55/97/537865597.db2.gz HUDGUOVIZKVYDM-RQJHMYQMSA-N 0 0 204.216 2.216 10 0 BEAERN C[C@H]1CCC(O)=C(C(=O)C(C)(F)F)C1 ZINC000300853861 537865247 /nfs/dbraw/zinc/86/52/47/537865247.db2.gz HUDGUOVIZKVYDM-NKWVEPMBSA-N 0 0 204.216 2.216 10 0 BEAERN CCCNc1ncc(Br)cc1CO ZINC000166277400 344839939 /nfs/dbraw/zinc/83/99/39/344839939.db2.gz KPNCCHVDLOCSCI-UHFFFAOYSA-N 0 0 245.120 2.158 10 0 BEAERN COc1cccc(OC)c1[C@H]1CCCC(=O)N1 ZINC000167074996 344829148 /nfs/dbraw/zinc/82/91/48/344829148.db2.gz IEHJNZJYBXSNRY-SECBINFHSA-N 0 0 235.283 2.045 10 0 BEAERN CCOC(=O)C1CCC(OCC)CC1 ZINC000039098932 344831522 /nfs/dbraw/zinc/83/15/22/344831522.db2.gz KXENXGBRRCMGPC-UHFFFAOYSA-N 0 0 200.278 2.145 10 0 BEAERN CS[C@H]1CCC[C@@H]1n1cnnc1Cl ZINC000235211402 344846601 /nfs/dbraw/zinc/84/66/01/344846601.db2.gz QVQCJHGHVDXHMQ-BQBZGAKWSA-N 0 0 217.725 2.388 10 0 BEAERN CSc1ccc(NCC[C@H](O)C(C)C)nn1 ZINC000078341573 344850860 /nfs/dbraw/zinc/85/08/60/344850860.db2.gz VEZJQRVQKFNDGK-VIFPVBQESA-N 0 0 241.360 2.017 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000119557045 344853307 /nfs/dbraw/zinc/85/33/07/344853307.db2.gz BHPSEETYFHFKKN-MNOVXSKESA-N 0 0 231.295 2.282 10 0 BEAERN Cc1cc(N2CN=NC2=S)ccc1F ZINC000061119675 344853600 /nfs/dbraw/zinc/85/36/00/344853600.db2.gz DWLMLULGQXFLEC-UHFFFAOYSA-N 0 0 209.249 2.004 10 0 BEAERN CC(C)[NH+](Cc1nc(C(=O)[O-])cs1)C(C)C ZINC000675053292 537866597 /nfs/dbraw/zinc/86/65/97/537866597.db2.gz HIARPOOZRSGNPP-UHFFFAOYSA-N 0 0 242.344 2.460 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1O ZINC000126794786 178748516 /nfs/dbraw/zinc/74/85/16/178748516.db2.gz HGPSYLQAIUHREJ-JOYOIKCWSA-N 0 0 235.283 2.207 10 0 BEAERN C[C@@H](O)C(=O)Cc1csc2ccccc12 ZINC000235258043 344859625 /nfs/dbraw/zinc/85/96/25/344859625.db2.gz GUYBAJFHJPAKLQ-MRVPVSSYSA-N 0 0 220.293 2.394 10 0 BEAERN CS[C@H]1CCC[C@@H]1Nc1nncs1 ZINC000235198874 344842300 /nfs/dbraw/zinc/84/23/00/344842300.db2.gz OJTHHXBQELWJNC-BQBZGAKWSA-N 0 0 215.347 2.234 10 0 BEAERN CC[C@H]1CCN(c2ccc(C=O)cn2)C1 ZINC000166388581 344883784 /nfs/dbraw/zinc/88/37/84/344883784.db2.gz LBKWHDIRNRJBJM-JTQLQIEISA-N 0 0 204.273 2.130 10 0 BEAERN C[C@@H]1CCCN1c1ncc(N)cc1Cl ZINC000235262633 344862737 /nfs/dbraw/zinc/86/27/37/344862737.db2.gz ZPZGRAVDIZGXCN-SSDOTTSWSA-N 0 0 211.696 2.306 10 0 BEAERN C[C@@H](O)C(=O)c1cccc(Br)c1F ZINC000235261275 344864653 /nfs/dbraw/zinc/86/46/53/344864653.db2.gz ARDINANCEZODPB-RXMQYKEDSA-N 0 0 247.063 2.152 10 0 BEAERN CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000225673059 133531873 /nfs/dbraw/zinc/53/18/73/133531873.db2.gz AYOIFRBYVXJBQB-WDEREUQCSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc([S-])c1 ZINC000235295507 344875656 /nfs/dbraw/zinc/87/56/56/344875656.db2.gz CEPDUJGEVFRVHG-XCBNKYQSSA-N 0 0 207.298 2.114 10 0 BEAERN CCc1nc(Cl)cc(=O)n1CC(C)C ZINC000166367158 344875752 /nfs/dbraw/zinc/87/57/52/344875752.db2.gz UJYPGTULFIBSEO-UHFFFAOYSA-N 0 0 214.696 2.115 10 0 BEAERN CC(C)(C)n1cc(N)c(-c2ccoc2)n1 ZINC000135752956 344879962 /nfs/dbraw/zinc/87/99/62/344879962.db2.gz CCKIVHSYBYOSOP-UHFFFAOYSA-N 0 0 205.261 2.480 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)Nc1c(Cl)ncnc1Cl ZINC000235319010 344881340 /nfs/dbraw/zinc/88/13/40/344881340.db2.gz FBNBTQXWJNQQPR-RFZPGFLSSA-N 0 0 246.097 2.378 10 0 BEAERN C[C@@H]1CO[C@H](c2csc(Cl)c2)C[NH2+]1 ZINC000235338724 344887252 /nfs/dbraw/zinc/88/72/52/344887252.db2.gz LSERJZILOLLMQI-SVRRBLITSA-N 0 0 217.721 2.451 10 0 BEAERN Cc1cc(C(=O)[O-])cc(NC2CCC2)[nH+]1 ZINC000166405989 344888973 /nfs/dbraw/zinc/88/89/73/344888973.db2.gz SSDXSXJADVVRPT-UHFFFAOYSA-N 0 0 206.245 2.053 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C1CCCC1 ZINC000235351569 344893597 /nfs/dbraw/zinc/89/35/97/344893597.db2.gz PYOIGSSHCVOJJY-NXEZZACHSA-N 0 0 211.305 2.114 10 0 BEAERN COC(=O)[C@@H](C)Nc1cccc(Cl)c1 ZINC000037955694 344912075 /nfs/dbraw/zinc/91/20/75/344912075.db2.gz LIOVEXPHVXAZCM-SSDOTTSWSA-N 0 0 213.664 2.313 10 0 BEAERN CC(C)(C)CCCn1cc(N)ccc1=O ZINC000300963932 537871772 /nfs/dbraw/zinc/87/17/72/537871772.db2.gz YVHKYLYQTBVLAZ-UHFFFAOYSA-N 0 0 208.305 2.257 10 0 BEAERN CCCCc1ncc(C)c(C(=O)OCC)n1 ZINC000300957717 537872217 /nfs/dbraw/zinc/87/22/17/537872217.db2.gz PZXXXLJIAXOYEZ-UHFFFAOYSA-N 0 0 222.288 2.304 10 0 BEAERN CCOCCn1ccc2c1cccc2N ZINC000070652142 537876171 /nfs/dbraw/zinc/87/61/71/537876171.db2.gz VVQCWTKSEQAISG-UHFFFAOYSA-N 0 0 204.273 2.260 10 0 BEAERN C[C@H]1CC(=O)N(Cc2ccnc(Cl)c2)C1 ZINC000062816688 347085545 /nfs/dbraw/zinc/08/55/45/347085545.db2.gz WOJPFNAXJLUHIF-QMMMGPOBSA-N 0 0 224.691 2.103 10 0 BEAERN O=C1CCN([C@@H]2CCCc3sccc32)C1 ZINC000061363657 344921540 /nfs/dbraw/zinc/92/15/40/344921540.db2.gz AEKCAMGWFMQTDZ-LLVKDONJSA-N 0 0 221.325 2.400 10 0 BEAERN COc1nc(Cl)nc(SC(C)(C)C)n1 ZINC000061515235 344955482 /nfs/dbraw/zinc/95/54/82/344955482.db2.gz WFQCWAJDRMVUIY-UHFFFAOYSA-N 0 0 233.724 2.424 10 0 BEAERN CSc1nc(Cl)nc(N2CCCCC2)n1 ZINC000061544185 344960341 /nfs/dbraw/zinc/96/03/41/344960341.db2.gz SEDTVRSECZZPOK-UHFFFAOYSA-N 0 0 244.751 2.237 10 0 BEAERN CN(C)c1c(F)c(F)c(F)c(F)c1F ZINC000005140485 344969304 /nfs/dbraw/zinc/96/93/04/344969304.db2.gz KGTLSNJIWZULPZ-UHFFFAOYSA-N 0 0 211.133 2.448 10 0 BEAERN C[C@@H]1C[C@H](C)CN1c1ncccc1C=O ZINC000235655237 344972060 /nfs/dbraw/zinc/97/20/60/344972060.db2.gz ZEZRWHZBSDBSAG-VHSXEESVSA-N 0 0 204.273 2.129 10 0 BEAERN O[C@H](Cc1c(F)cccc1F)C(F)F ZINC000166656921 344951904 /nfs/dbraw/zinc/95/19/04/344951904.db2.gz VPZGHOMPNJFFJD-MRVPVSSYSA-N 0 0 208.154 2.133 10 0 BEAERN C[C@@H]1CCCN(C2N=NC(=S)S2)C1 ZINC000044241585 344991860 /nfs/dbraw/zinc/99/18/60/344991860.db2.gz YSPYZOHMBJPWPS-ZCFIWIBFSA-N 0 0 215.347 2.063 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C2N=NC(=S)S2)C1 ZINC000044241674 344992014 /nfs/dbraw/zinc/99/20/14/344992014.db2.gz YNHJJYQEDVNORU-KNVOCYPGSA-N 0 0 229.374 2.309 10 0 BEAERN CC1CCN(C2N=NC(=S)S2)CC1 ZINC000044241558 344992187 /nfs/dbraw/zinc/99/21/87/344992187.db2.gz OHFGGQIQTKNRDE-UHFFFAOYSA-N 0 0 215.347 2.063 10 0 BEAERN Cc1ccc(O)c(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000189795762 178800727 /nfs/dbraw/zinc/80/07/27/178800727.db2.gz MVHZRDAOHLCUHP-GHMZBOCLSA-N 0 0 249.310 2.454 10 0 BEAERN CCOC(=O)c1cccc(O)c1Br ZINC000238266343 345004530 /nfs/dbraw/zinc/00/45/30/345004530.db2.gz OSCVFQZMFHWWCM-UHFFFAOYSA-N 0 0 245.072 2.331 10 0 BEAERN COc1ncc(OC(F)(F)F)cc1F ZINC000238420536 345045739 /nfs/dbraw/zinc/04/57/39/345045739.db2.gz UWTMDOARIRUZQX-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1ncc(OC(F)(F)F)cc1C ZINC000238420309 345045826 /nfs/dbraw/zinc/04/58/26/345045826.db2.gz HFLZSFWGFXRZKU-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1nccc(C)c1I ZINC000238424130 345046734 /nfs/dbraw/zinc/04/67/34/345046734.db2.gz GQPXSPKJNSKBGZ-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN COc1nccc(C)c1OC(F)(F)F ZINC000238424212 345046745 /nfs/dbraw/zinc/04/67/45/345046745.db2.gz UHJIHTKHPRTNEI-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1nccc(F)c1OC(F)(F)F ZINC000238425856 345046941 /nfs/dbraw/zinc/04/69/41/345046941.db2.gz AXDFPIKKDHSYNK-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN CCOC(=O)c1c(F)ccc(F)c1C ZINC000238298488 345014571 /nfs/dbraw/zinc/01/45/71/345014571.db2.gz TYHOQRWQQGUDRZ-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN Cc1ccc(OCCC(=O)NC(C)C)c(C=O)c1 ZINC000071408731 178810550 /nfs/dbraw/zinc/81/05/50/178810550.db2.gz HFJRFBRLIDHBEJ-UHFFFAOYSA-N 0 0 249.310 2.101 10 0 BEAERN Cc1ccc(C=O)nc1OC(F)(F)F ZINC000238462780 345053411 /nfs/dbraw/zinc/05/34/11/345053411.db2.gz UGFGXYLHJISYOE-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(OCc2cnn(C)c2)c(C=O)c1 ZINC000071408798 178816283 /nfs/dbraw/zinc/81/62/83/178816283.db2.gz WXCXKVLUMTUGBU-UHFFFAOYSA-N 0 0 230.267 2.120 10 0 BEAERN Cc1c[nH]cc2nnc(Br)c1-2 ZINC000238543373 345074192 /nfs/dbraw/zinc/07/41/92/345074192.db2.gz XXDCPRQOYFXLNP-UHFFFAOYSA-N 0 0 212.050 2.029 10 0 BEAERN N[C@@H](CF)c1c(F)c(F)cc(F)c1F ZINC000238571718 345080527 /nfs/dbraw/zinc/08/05/27/345080527.db2.gz FSQPCCUHEFXHTA-YFKPBYRVSA-N 0 0 211.133 2.212 10 0 BEAERN CCOC(=O)c1noc(-c2sccc2C)n1 ZINC000071047680 537887520 /nfs/dbraw/zinc/88/75/20/537887520.db2.gz GVLKPEHVLOKJGP-UHFFFAOYSA-N 0 0 238.268 2.283 10 0 BEAERN OCc1c(Cl)ccnc1OC(F)(F)F ZINC000238706051 345116269 /nfs/dbraw/zinc/11/62/69/345116269.db2.gz JLJMYVHIKCSCTG-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cc(Cl)ncc1OC(F)(F)F ZINC000238720629 345118413 /nfs/dbraw/zinc/11/84/13/345118413.db2.gz PMMQSABELRHSSR-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238729248 345120078 /nfs/dbraw/zinc/12/00/78/345120078.db2.gz RCEQZLFVGPQKHC-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cccc(F)c1OC(F)(F)F ZINC000238727120 345121604 /nfs/dbraw/zinc/12/16/04/345121604.db2.gz RXNPHVGYJGSTLC-UHFFFAOYSA-N 0 0 210.126 2.217 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CC[C@H](C)O1)C1CCC1 ZINC000156065808 345122544 /nfs/dbraw/zinc/12/25/44/345122544.db2.gz YDFAFPWJQLVSLU-JQWIXIFHSA-N 0 0 225.332 2.343 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)[C@@H](C)COC ZINC000155762803 345103603 /nfs/dbraw/zinc/10/36/03/345103603.db2.gz JDWBIPXJNOLUDN-RYUDHWBXSA-N 0 0 227.348 2.450 10 0 BEAERN C[C@H](NN)c1csc(Br)c1 ZINC000127214625 345164699 /nfs/dbraw/zinc/16/46/99/345164699.db2.gz BPDUSRGURCFVTF-BYPYZUCNSA-N 0 0 221.123 2.035 10 0 BEAERN CC[C@@H](C)c1ncnc(Br)n1 ZINC000238798906 345129133 /nfs/dbraw/zinc/12/91/33/345129133.db2.gz JKJGNMKJGHAMNN-RXMQYKEDSA-N 0 0 216.082 2.148 10 0 BEAERN O=c1[nH]nc(-c2ccccc2Cl)s1 ZINC000225369443 345145028 /nfs/dbraw/zinc/14/50/28/345145028.db2.gz MTFTYDLLHCGRQB-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN CCc1cc(C(N)=O)ccc1OC(F)(F)F ZINC000148109818 345250590 /nfs/dbraw/zinc/25/05/90/345250590.db2.gz RODIXLXGTCYTJA-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN CCN(c1ncc(Cl)cc1N)C1CC1 ZINC000148022691 345196631 /nfs/dbraw/zinc/19/66/31/345196631.db2.gz GEPGNFAKPWOZHX-UHFFFAOYSA-N 0 0 211.696 2.306 10 0 BEAERN CC(C)c1nccnc1NCC[C@H](O)C(F)F ZINC000631459435 345269186 /nfs/dbraw/zinc/26/91/86/345269186.db2.gz ATYQZZJWTXFIID-QMMMGPOBSA-N 0 0 245.273 2.028 10 0 BEAERN CNC(=S)c1ccc(Br)cc1F ZINC000167272036 345290731 /nfs/dbraw/zinc/29/07/31/345290731.db2.gz MUFLKMJJPJVLST-UHFFFAOYSA-N 0 0 248.120 2.483 10 0 BEAERN CCc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2 ZINC000720942605 537892945 /nfs/dbraw/zinc/89/29/45/537892945.db2.gz WQKWWPJXPCXBAU-SVRRBLITSA-N 0 0 215.247 2.456 10 0 BEAERN Nc1ccc(Cl)cc1SC1COC1 ZINC000131788694 345308677 /nfs/dbraw/zinc/30/86/77/345308677.db2.gz QWDZBFPNKPDMMU-UHFFFAOYSA-N 0 0 215.705 2.413 10 0 BEAERN CC1(C)CCc2ccccc2[C@@H]1NC(N)=O ZINC000132772556 345343704 /nfs/dbraw/zinc/34/37/04/345343704.db2.gz RTSSUODBPJBBMY-NSHDSACASA-N 0 0 218.300 2.368 10 0 BEAERN C[C@](O)(CO)c1ccc(Cl)c(Cl)c1 ZINC000132810829 345346603 /nfs/dbraw/zinc/34/66/03/345346603.db2.gz SSKJBGKPPQEJHP-VIFPVBQESA-N 0 0 221.083 2.193 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1ccc(N)cc1 ZINC000221441261 345366750 /nfs/dbraw/zinc/36/67/50/345366750.db2.gz IHRFCVGEZFRLGF-LLVKDONJSA-N 0 0 220.272 2.172 10 0 BEAERN CSc1ccc(NC[C@@]2(C)CCCO2)nn1 ZINC000301545686 187302719 /nfs/dbraw/zinc/30/27/19/187302719.db2.gz DRPFSXNCASWABB-LLVKDONJSA-N 0 0 239.344 2.180 10 0 BEAERN Cc1nn(-c2cc(C)cc(C)c2)cc1N ZINC000135726858 345452304 /nfs/dbraw/zinc/45/23/04/345452304.db2.gz HZZGZIDEHFDJPP-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN BrC1=CCCCC12OCCO2 ZINC000135740305 345453397 /nfs/dbraw/zinc/45/33/97/345453397.db2.gz QLTHAAHXQAPEKV-UHFFFAOYSA-N 0 0 219.078 2.192 10 0 BEAERN CC[C@@H](N[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974191 345427752 /nfs/dbraw/zinc/42/77/52/345427752.db2.gz BDRVDOLXPHAMQB-ZIAGYGMSSA-N 0 0 247.338 2.085 10 0 BEAERN CSC(C)(C)Cn1cnnc1Cl ZINC000229138615 345440571 /nfs/dbraw/zinc/44/05/71/345440571.db2.gz QVKFAELCOUHKBI-UHFFFAOYSA-N 0 0 205.714 2.073 10 0 BEAERN CN(C)CC(=O)c1sccc1Cl ZINC000228813023 345400051 /nfs/dbraw/zinc/40/00/51/345400051.db2.gz ZABDMPNRPYSSNT-UHFFFAOYSA-N 0 0 203.694 2.146 10 0 BEAERN CO[C@@H]1[C@@H](C)[C@H](NCC(C)(F)F)C1(C)C ZINC000378769943 345560862 /nfs/dbraw/zinc/56/08/62/345560862.db2.gz FIMDVCSJOKWBAY-XHNCKOQMSA-N 0 0 221.291 2.291 10 0 BEAERN FC(F)CNc1ccc(OC(F)F)cn1 ZINC000091729788 345603163 /nfs/dbraw/zinc/60/31/63/345603163.db2.gz ZUFCILUKLDHLII-UHFFFAOYSA-N 0 0 224.157 2.360 10 0 BEAERN C[C@@H](Cn1cc(N)cn1)CC(F)(F)F ZINC000402792940 537899124 /nfs/dbraw/zinc/89/91/24/537899124.db2.gz UGVZZCIQVKNHLP-ZCFIWIBFSA-N 0 0 207.199 2.054 10 0 BEAERN Cc1cc(Nc2cc(Cl)nc(C)n2)nn1C ZINC000092826094 345645023 /nfs/dbraw/zinc/64/50/23/345645023.db2.gz OIAOLTSHLAFUHM-UHFFFAOYSA-N 0 0 237.694 2.224 10 0 BEAERN CC(C)C(=O)[C@H]1Cc2cc(F)c(F)cc2O1 ZINC000675081566 537905387 /nfs/dbraw/zinc/90/53/87/537905387.db2.gz TUQSQPDXCRTLFK-LLVKDONJSA-N 0 0 226.222 2.493 10 0 BEAERN CCOC(=O)C(F)(F)c1ccc2c(c1)OCO2 ZINC000031829516 345679864 /nfs/dbraw/zinc/67/98/64/345679864.db2.gz DTVVZXVZBMSZAH-UHFFFAOYSA-N 0 0 244.193 2.070 10 0 BEAERN CCOC(=O)c1nc(C(C)(C)C)sc1N ZINC000167789631 347086914 /nfs/dbraw/zinc/08/69/14/347086914.db2.gz ZYUPXGYIXIBSCK-UHFFFAOYSA-N 0 0 228.317 2.200 10 0 BEAERN COC(=O)c1cc(F)cc2c(Cl)ncnc12 ZINC000114033356 345755960 /nfs/dbraw/zinc/75/59/60/345755960.db2.gz XYDPXMXCBWBJQT-UHFFFAOYSA-N 0 0 240.621 2.209 10 0 BEAERN Cc1ccc(N)c(C)c1NC(=O)C(F)(F)F ZINC000229555801 345724953 /nfs/dbraw/zinc/72/49/53/345724953.db2.gz NWDCVXXDRZGTSN-UHFFFAOYSA-N 0 0 232.205 2.386 10 0 BEAERN CC/C=C\CS(=O)(=O)c1ccccc1 ZINC000207657229 345758548 /nfs/dbraw/zinc/75/85/48/345758548.db2.gz NZMVQOQUPODABO-CLTKARDFSA-N 0 0 210.298 2.427 10 0 BEAERN O=C1Nc2ccc(Cl)cc2S[C@H]1CCO ZINC000207386508 345758771 /nfs/dbraw/zinc/75/87/71/345758771.db2.gz VVWQZOAXRYKRPU-QMMMGPOBSA-N 0 0 243.715 2.135 10 0 BEAERN Cc1cc(NC(=O)C(F)(F)F)c(C)cc1N ZINC000229559866 345738573 /nfs/dbraw/zinc/73/85/73/345738573.db2.gz BJBWMQUEHHMDGW-UHFFFAOYSA-N 0 0 232.205 2.386 10 0 BEAERN CC(C)(C)OC(=O)C[C@@H](CO)Cc1ccco1 ZINC000033994580 345814682 /nfs/dbraw/zinc/81/46/82/345814682.db2.gz AHBRRKZWWFSGEG-JTQLQIEISA-N 0 0 240.299 2.162 10 0 BEAERN Cc1c(CCO)c2cccc3c2n1CCC3 ZINC000034116760 345817251 /nfs/dbraw/zinc/81/72/51/345817251.db2.gz NWNSWDZTYMJFPW-UHFFFAOYSA-N 0 0 215.296 2.431 10 0 BEAERN COC(=O)[C@@](C)(N)Cc1ccc2ccccc2c1 ZINC000034147244 345818274 /nfs/dbraw/zinc/81/82/74/345818274.db2.gz VQRFJJGBBKYJKC-HNNXBMFYSA-N 0 0 243.306 2.273 10 0 BEAERN OC[C@@]1(c2ccccc2)COc2ccccc2O1 ZINC000034240300 345820422 /nfs/dbraw/zinc/82/04/22/345820422.db2.gz HTFLXNWDWOANAY-HNNXBMFYSA-N 0 0 242.274 2.346 10 0 BEAERN COC(=O)[C@@](C)(O)c1cc(Cl)ccc1Cl ZINC000050974128 345767645 /nfs/dbraw/zinc/76/76/45/345767645.db2.gz MJQHBILZWZYNTH-JTQLQIEISA-N 0 0 249.093 2.374 10 0 BEAERN CC(=O)c1cc2cc3c(cc2o1)OCO3 ZINC000034302998 345820713 /nfs/dbraw/zinc/82/07/13/345820713.db2.gz KQUYODNMMRLTDJ-UHFFFAOYSA-N 0 0 204.181 2.364 10 0 BEAERN CO[C@H](CO)COc1cccc2ccccc21 ZINC000034309962 345821169 /nfs/dbraw/zinc/82/11/69/345821169.db2.gz OFFLLPCFAOFUCA-GFCCVEGCSA-N 0 0 232.279 2.226 10 0 BEAERN C[C@@H]1CCn2cc([C@@H]3CCCC[NH2+]3)nc2C1 ZINC000258142955 345779698 /nfs/dbraw/zinc/77/96/98/345779698.db2.gz DDPRCFAYPXNLIP-MNOVXSKESA-N 0 0 219.332 2.280 10 0 BEAERN Cc1c[nH]c(=S)n1[C@H]1CCO[C@@H](C)C1 ZINC000235708248 345782449 /nfs/dbraw/zinc/78/24/49/345782449.db2.gz QJLQZXAINMVEBR-IUCAKERBSA-N 0 0 212.318 2.220 10 0 BEAERN COC(=O)C1=C(O)C2(CC1)CCCCC2 ZINC000306259796 537912464 /nfs/dbraw/zinc/91/24/64/537912464.db2.gz SRCBRCIOOWOQHA-VIFPVBQESA-N 0 0 210.273 2.089 10 0 BEAERN C[C@H]1C[C@H](Nc2cnnc(Cl)c2)CCO1 ZINC000235711866 345792753 /nfs/dbraw/zinc/79/27/53/345792753.db2.gz DOGDZAZMRVGGMS-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN COC(=O)c1ccc(CO)c2ccccc12 ZINC000135911361 345794123 /nfs/dbraw/zinc/79/41/23/345794123.db2.gz DDUCEEWYDOABBS-UHFFFAOYSA-N 0 0 216.236 2.119 10 0 BEAERN Cc1cc(Cn2nc(N)cc2C)cs1 ZINC000306216824 537911904 /nfs/dbraw/zinc/91/19/04/537911904.db2.gz CKBMXZKSSMFIET-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN CNc1ncc(C(F)(F)C(F)(F)F)cc1N ZINC000221510222 345864024 /nfs/dbraw/zinc/86/40/24/345864024.db2.gz MXQKKQVIUWADLJ-UHFFFAOYSA-N 0 0 241.163 2.360 10 0 BEAERN CCOC(=O)C=C(N)CCCc1ccccc1 ZINC000142703484 345864064 /nfs/dbraw/zinc/86/40/64/345864064.db2.gz QPDQAOZQXUWSRR-QBFSEMIESA-N 0 0 233.311 2.415 10 0 BEAERN COc1cccc([C@H]2CCOC(=O)C2)c1 ZINC000137752037 345850107 /nfs/dbraw/zinc/85/01/07/345850107.db2.gz YNEBGDQAIXKDCF-JTQLQIEISA-N 0 0 206.241 2.116 10 0 BEAERN C[C@]1(Nc2nsnc2Cl)CCCOC1 ZINC000235766408 345852034 /nfs/dbraw/zinc/85/20/34/345852034.db2.gz CDAFAMNWAAATBC-QMMMGPOBSA-N 0 0 233.724 2.173 10 0 BEAERN O=Cc1ccc(C(=O)OCc2ccccc2)o1 ZINC000140331691 345854836 /nfs/dbraw/zinc/85/48/36/345854836.db2.gz LTRVEQBBMOWQRT-UHFFFAOYSA-N 0 0 230.219 2.449 10 0 BEAERN COP(=O)(OC)c1cccc(Cl)c1 ZINC000219030518 345856268 /nfs/dbraw/zinc/85/62/68/345856268.db2.gz QHKAIMLZIPDGSR-UHFFFAOYSA-N 0 0 220.592 2.451 10 0 BEAERN COc1ccc(C[C@H](C)OC(C)=O)cc1 ZINC000140701056 345856873 /nfs/dbraw/zinc/85/68/73/345856873.db2.gz GLJCQWPVHWZTDY-VIFPVBQESA-N 0 0 208.257 2.189 10 0 BEAERN O=c1[nH]n2c(c1-c1ccccc1)CCCC2 ZINC000140750903 345856996 /nfs/dbraw/zinc/85/69/96/345856996.db2.gz YYAUJJKBPMEGJF-UHFFFAOYSA-N 0 0 214.268 2.180 10 0 BEAERN COC(=O)C1=Cc2cc(OC)ccc2SC1 ZINC000143074787 345864504 /nfs/dbraw/zinc/86/45/04/345864504.db2.gz KFWHKGBHAGRISB-UHFFFAOYSA-N 0 0 236.292 2.357 10 0 BEAERN CCn1c(CC2CC2)nc2c1ncnc2Cl ZINC000220277964 345861323 /nfs/dbraw/zinc/86/13/23/345861323.db2.gz HTBWEQJFDKHUBH-UHFFFAOYSA-N 0 0 236.706 2.452 10 0 BEAERN COc1cccc2oc(=O)c(C(C)=O)cc12 ZINC000220934007 345862583 /nfs/dbraw/zinc/86/25/83/345862583.db2.gz WWDWWHDRCIRWDT-UHFFFAOYSA-N 0 0 218.208 2.004 10 0 BEAERN COP(=O)(OC)OCC(=O)c1ccccc1 ZINC000034407895 345827070 /nfs/dbraw/zinc/82/70/70/345827070.db2.gz GQPBTZIVVLOTOR-UHFFFAOYSA-N 0 0 244.183 2.287 10 0 BEAERN COP(=O)(C[C@H](O)c1ccccc1)OC ZINC000034416602 345828419 /nfs/dbraw/zinc/82/84/19/345828419.db2.gz VFXXTNBZIOXZJV-JTQLQIEISA-N 0 0 230.200 2.206 10 0 BEAERN Cc1nc2c[n+]([O-])c3ccccc3c2s1 ZINC000034568309 345832201 /nfs/dbraw/zinc/83/22/01/345832201.db2.gz OSANBMVPRCOUHZ-UHFFFAOYSA-N 0 0 216.265 2.391 10 0 BEAERN Oc1cccc(O)c1CC[C@@H](O)c1ccccn1 ZINC000034564885 345832295 /nfs/dbraw/zinc/83/22/95/345832295.db2.gz LMEAKGZWNPEGAI-CQSZACIVSA-N 0 0 245.278 2.159 10 0 BEAERN CCOC(=O)[C@@H]1CNc2cc(C)cc(C)c2O1 ZINC000034432890 345833552 /nfs/dbraw/zinc/83/35/52/345833552.db2.gz VTTSQECDWIWOIC-NSHDSACASA-N 0 0 235.283 2.039 10 0 BEAERN CC(=O)O[C@H](C)c1cccc(Br)n1 ZINC000034587006 345834793 /nfs/dbraw/zinc/83/47/93/345834793.db2.gz AUDDBTZZNNWAEI-ZCFIWIBFSA-N 0 0 244.088 2.468 10 0 BEAERN COP(=O)(OC)c1ccc(Cl)cc1 ZINC000034485189 345835803 /nfs/dbraw/zinc/83/58/03/345835803.db2.gz UTGYZBPCVJGRBV-UHFFFAOYSA-N 0 0 220.592 2.451 10 0 BEAERN Cc1ccc([C@](C)([NH2+]C2CC2)C(=O)[O-])cc1 ZINC000037183444 178924349 /nfs/dbraw/zinc/92/43/49/178924349.db2.gz ZFHOKJJEAOKMGH-ZDUSSCGKSA-N 0 0 219.284 2.047 10 0 BEAERN CCCCOc1c(NC(C)(C)CC)c(=O)c1=O ZINC000034751021 345839839 /nfs/dbraw/zinc/83/98/39/345839839.db2.gz AONBEDNGWLEBOY-UHFFFAOYSA-N 0 0 239.315 2.062 10 0 BEAERN CCCCOC(=O)c1ccc2c(c1)COC2=O ZINC000143293320 345865642 /nfs/dbraw/zinc/86/56/42/345865642.db2.gz YWQVISRUQYLKRW-UHFFFAOYSA-N 0 0 234.251 2.314 10 0 BEAERN CSCCNc1nc(C)nc(C)c1F ZINC000307701645 345926804 /nfs/dbraw/zinc/92/68/04/345926804.db2.gz SGUWEMFLJVHIMC-UHFFFAOYSA-N 0 0 215.297 2.007 10 0 BEAERN CCOC(=O)CSc1cccc(Cl)n1 ZINC000082461766 290764524 /nfs/dbraw/zinc/76/45/24/290764524.db2.gz HAGFNPQBHYFKHP-UHFFFAOYSA-N 0 0 231.704 2.390 10 0 biogenic,in-vitro BEAERN Cc1cnccc1-c1cn[nH]c(=S)c1 ZINC000235792274 345904987 /nfs/dbraw/zinc/90/49/87/345904987.db2.gz NSXWNOHJRPHWIL-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN CCCCn1cc(C(=O)C(F)(F)F)cn1 ZINC000082589431 345910209 /nfs/dbraw/zinc/91/02/09/345910209.db2.gz RGALHFZQPDCJMT-UHFFFAOYSA-N 0 0 220.194 2.428 10 0 BEAERN CN(C)Cc1cc(N)ccc1Br ZINC000143686778 345911067 /nfs/dbraw/zinc/91/10/67/345911067.db2.gz FDEBPOHTKNQOPC-UHFFFAOYSA-N 0 0 229.121 2.093 10 0 BEAERN Cc1ccc(F)c(Br)c1CO ZINC000143952999 345914296 /nfs/dbraw/zinc/91/42/96/345914296.db2.gz FHWLMYNOVLZFRZ-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN COc1ccc(-c2nc(C=O)cs2)cn1 ZINC000166864955 345915119 /nfs/dbraw/zinc/91/51/19/345915119.db2.gz UOVGFKNEBPHFBQ-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN CC[C@@H](C(=O)NC1CC(CO)C1)c1ccccc1 ZINC000620886896 345953587 /nfs/dbraw/zinc/95/35/87/345953587.db2.gz JVFAAWMZSQFBRE-UXUKBGGZSA-N 0 0 247.338 2.067 10 0 BEAERN Clc1cccnc1N1CC[NH+]2CCC1CC2 ZINC000033979961 345961202 /nfs/dbraw/zinc/96/12/02/345961202.db2.gz LREZPSZJVBJXKM-UHFFFAOYSA-N 0 0 237.734 2.019 10 0 BEAERN C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790548 345938200 /nfs/dbraw/zinc/93/82/00/345938200.db2.gz QMNJMLCCYQHCSA-YPMHNXCESA-N 0 0 233.311 2.024 10 0 BEAERN Nc1cc(-c2ccoc2)nc(C2CC2)n1 ZINC000087908817 345940173 /nfs/dbraw/zinc/94/01/73/345940173.db2.gz IMLUFDVVEPCKQP-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN Cc1cc(=S)[nH]c(-c2cscn2)n1 ZINC000235833921 345944171 /nfs/dbraw/zinc/94/41/71/345944171.db2.gz CHTVYXPQMWKFAW-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Nc1cccnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000088417560 345944403 /nfs/dbraw/zinc/94/44/03/345944403.db2.gz ATKGDSZMGXQFBK-MRVPVSSYSA-N 0 0 245.248 2.443 10 0 BEAERN Cc1ccc2c(c1)NC(=O)[C@H](C(C)C)N2 ZINC000076639228 178947532 /nfs/dbraw/zinc/94/75/32/178947532.db2.gz IGSWSPLEALAFJK-NSHDSACASA-N 0 0 204.273 2.384 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1CCC=CCC1 ZINC000635688918 345974116 /nfs/dbraw/zinc/97/41/16/345974116.db2.gz BXALQPRLDNTYMO-GFCCVEGCSA-N 0 0 239.359 2.256 10 0 BEAERN Cc1ccc2oc(C(=O)N(C)[C@@H](C)CO)cc2c1 ZINC000135451002 187362187 /nfs/dbraw/zinc/36/21/87/187362187.db2.gz YPSUPPAGJUHEJL-JTQLQIEISA-N 0 0 247.294 2.194 10 0 BEAERN CCc1cc(O)ccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000191081931 345991002 /nfs/dbraw/zinc/99/10/02/345991002.db2.gz DKOQZBQLZSVLJF-TVQRCGJNSA-N 0 0 249.310 2.461 10 0 BEAERN C[C@H]1COc2c(N)cc(Br)cc2N1 ZINC000062533825 187361980 /nfs/dbraw/zinc/36/19/80/187361980.db2.gz RSALUYPCCQWPGQ-YFKPBYRVSA-N 0 0 243.104 2.224 10 0 BEAERN CC(C)COCc1ccccc1C(N)=S ZINC000019515765 187313261 /nfs/dbraw/zinc/31/32/61/187313261.db2.gz OAELGGDLRFWKBE-UHFFFAOYSA-N 0 0 223.341 2.493 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)c1ccccc1 ZINC000190242689 187313274 /nfs/dbraw/zinc/31/32/74/187313274.db2.gz QBYOKECIJIDJKE-YPMHNXCESA-N 0 0 233.311 2.465 10 0 BEAERN C/C=C/COc1ccc(C=O)cc1OC ZINC000019474826 187313516 /nfs/dbraw/zinc/31/35/16/187313516.db2.gz YPVWPRYEZKLSLT-ONEGZZNKSA-N 0 0 206.241 2.463 10 0 BEAERN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1O ZINC000200404031 346061140 /nfs/dbraw/zinc/06/11/40/346061140.db2.gz MHWOGQIKSLLULM-LLVKDONJSA-N 0 0 235.283 2.428 10 0 BEAERN CCc1c(Cl)ncnc1NCC(F)F ZINC000148005365 346031434 /nfs/dbraw/zinc/03/14/34/346031434.db2.gz MNALNFLPOFGGEW-UHFFFAOYSA-N 0 0 221.638 2.369 10 0 BEAERN CN(CC1CC1)c1ncc(Cl)cc1N ZINC000148061333 346032157 /nfs/dbraw/zinc/03/21/57/346032157.db2.gz UJQGUDPQBPRULK-UHFFFAOYSA-N 0 0 211.696 2.163 10 0 BEAERN NC(=S)c1ccc(OC2CCCC2)nc1 ZINC000019432460 187313860 /nfs/dbraw/zinc/31/38/60/187313860.db2.gz ZVOAHCOTEIOVRE-UHFFFAOYSA-N 0 0 222.313 2.037 10 0 BEAERN C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C=O)cc1 ZINC000095698650 346080456 /nfs/dbraw/zinc/08/04/56/346080456.db2.gz MBNVQEVQGYQVEE-ZETCQYMHSA-N 0 0 245.200 2.239 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)CC1CCCCC1 ZINC000120442045 187314898 /nfs/dbraw/zinc/31/48/98/187314898.db2.gz JETWNWUZWZAAGV-GFCCVEGCSA-N 0 0 241.375 2.480 10 0 BEAERN Cc1cc(C)n(-c2ccc(F)cc2N)n1 ZINC000019868855 187314942 /nfs/dbraw/zinc/31/49/42/187314942.db2.gz WDXAAMONBICUGU-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN NC(=S)Nc1cc(F)ccc1Cl ZINC000148394137 346088424 /nfs/dbraw/zinc/08/84/24/346088424.db2.gz RXUABKAQIFHVCM-UHFFFAOYSA-N 0 0 204.657 2.135 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1ccccc1F ZINC000096304374 346108549 /nfs/dbraw/zinc/10/85/49/346108549.db2.gz SJBDFRUXIUOGMY-VIFPVBQESA-N 0 0 249.241 2.101 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1ccccc1C ZINC000096304337 346108565 /nfs/dbraw/zinc/10/85/65/346108565.db2.gz WMMCEWZIGFVUKE-LLVKDONJSA-N 0 0 245.278 2.271 10 0 BEAERN COc1cc2[nH]cc(C=O)c2nc1Cl ZINC000096320733 346112314 /nfs/dbraw/zinc/11/23/14/346112314.db2.gz QDCQXOUZTCNLOQ-UHFFFAOYSA-N 0 0 210.620 2.037 10 0 BEAERN Cc1cc2c(ncc(Br)c2N)[nH]1 ZINC000096321052 346113014 /nfs/dbraw/zinc/11/30/14/346113014.db2.gz DPNFUYQWHKNIIV-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN CCNCC(F)(F)COCCCSC ZINC000685957024 537943694 /nfs/dbraw/zinc/94/36/94/537943694.db2.gz KJBDFHZIJHJULR-UHFFFAOYSA-N 0 0 227.320 2.001 10 0 BEAERN CNCC(F)(F)CO[C@H](C)CC(C)C ZINC000685957406 537944141 /nfs/dbraw/zinc/94/41/41/537944141.db2.gz XTZZRDNLPGFEIS-SECBINFHSA-N 0 0 209.280 2.292 10 0 BEAERN C/C=C/CN1C(=O)C(=O)c2cc(Cl)ccc21 ZINC000019966937 187315948 /nfs/dbraw/zinc/31/59/48/187315948.db2.gz UGBGLJOJXJXLEK-NSCUHMNNSA-N 0 0 235.670 2.445 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C1CCC=CCC1 ZINC000635982865 346137037 /nfs/dbraw/zinc/13/70/37/346137037.db2.gz IUXLDNZVLLWJHK-YPMHNXCESA-N 0 0 237.343 2.105 10 0 BEAERN COC(=O)[C@@]1(C[C@@H]2CO2)C[C@H](C)C[C@H](C)C1 ZINC000669371829 537949214 /nfs/dbraw/zinc/94/92/14/537949214.db2.gz ASEQTDBXIWOYQX-XZUYRWCXSA-N 0 0 226.316 2.391 10 0 BEAERN CNS(=O)(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000669375415 537954100 /nfs/dbraw/zinc/95/41/00/537954100.db2.gz JOGFDFBMGUZHGS-UHFFFAOYSA-N 0 0 233.377 2.141 10 0 BEAERN CC[C@H](c1ccc(Cl)cc1)S(=O)(=O)NC ZINC000669375436 537954310 /nfs/dbraw/zinc/95/43/10/537954310.db2.gz KIVFGFSXUZDUFB-SNVBAGLBSA-N 0 0 247.747 2.340 10 0 BEAERN CCOC(=O)/C=C/[C@H]1CCCC[C@H]1C=O ZINC000150287204 346169940 /nfs/dbraw/zinc/16/99/40/346169940.db2.gz NWXUWDUIJWVWOJ-SFEFJYQLSA-N 0 0 210.273 2.111 10 0 BEAERN CC[C@H](C(=O)N1CC=CCN1)c1ccccc1 ZINC000628226116 346173139 /nfs/dbraw/zinc/17/31/39/346173139.db2.gz AYGMOPCNTBOACE-ZDUSSCGKSA-N 0 0 230.311 2.083 10 0 BEAERN Cc1cnc(Cl)c(N[C@H]2CCOC2)c1 ZINC000235958828 346175616 /nfs/dbraw/zinc/17/56/16/346175616.db2.gz NVCURXQMHLIKHL-QMMMGPOBSA-N 0 0 212.680 2.244 10 0 BEAERN CCCC(=O)NC(=S)N1CCc2ccccc21 ZINC000000502942 168544847 /nfs/dbraw/zinc/54/48/47/168544847.db2.gz QFZDJPLHGOUYKQ-UHFFFAOYSA-N 0 0 248.351 2.250 10 0 BEAERN CNS(=O)(=O)[C@H](CC(C)C)c1ccccc1 ZINC000669375168 537952933 /nfs/dbraw/zinc/95/29/33/537952933.db2.gz FUZANQURCPLYAU-GFCCVEGCSA-N 0 0 241.356 2.323 10 0 BEAERN Fc1cc(F)cc([C@@H]2NCCS2)c1 ZINC000236154557 346200589 /nfs/dbraw/zinc/20/05/89/346200589.db2.gz BZJPTDFQUDYWHR-SECBINFHSA-N 0 0 201.241 2.300 10 0 BEAERN Nc1cc(Br)ccc1N1CCCO1 ZINC000136362663 346202853 /nfs/dbraw/zinc/20/28/53/346202853.db2.gz KDWWBESRWPSVRR-UHFFFAOYSA-N 0 0 243.104 2.173 10 0 BEAERN O[C@H](Cc1ccsc1)C1CCOCC1 ZINC000062137380 346206757 /nfs/dbraw/zinc/20/67/57/346206757.db2.gz KCNBKOCTDMICDX-LLVKDONJSA-N 0 0 212.314 2.078 10 0 BEAERN CC[C@H](O)c1cccnc1Br ZINC000034146071 346210136 /nfs/dbraw/zinc/21/01/36/346210136.db2.gz BLHGLKPMVKFVMH-ZETCQYMHSA-N 0 0 216.078 2.288 10 0 BEAERN CO[C@H](C)CNc1ccc(F)cc1F ZINC000166991131 346180301 /nfs/dbraw/zinc/18/03/01/346180301.db2.gz ZHCXWYPKCWVZIH-SSDOTTSWSA-N 0 0 201.216 2.412 10 0 BEAERN Cc1sc(-c2ccc(O)cc2)nc1N ZINC000235977847 346180303 /nfs/dbraw/zinc/18/03/03/346180303.db2.gz DALIIBSIDYRVRR-UHFFFAOYSA-N 0 0 206.270 2.406 10 0 BEAERN Clc1nsnc1Sc1ncco1 ZINC000236035271 346185406 /nfs/dbraw/zinc/18/54/06/346185406.db2.gz QTBHOJOLKLFTJL-UHFFFAOYSA-N 0 0 219.678 2.331 10 0 BEAERN Clc1ncnc(NC2CC2)c1Br ZINC000236070918 346189151 /nfs/dbraw/zinc/18/91/51/346189151.db2.gz AWVZGSFASQBEKA-UHFFFAOYSA-N 0 0 248.511 2.467 10 0 BEAERN C[C@H]1C[C@@H]1CNc1ncnc(Cl)c1C=O ZINC000167218367 346214010 /nfs/dbraw/zinc/21/40/10/346214010.db2.gz GQTKWZQKTOFXPX-NKWVEPMBSA-N 0 0 225.679 2.010 10 0 BEAERN C[C@H]1C[C@H]1CNc1nc(Cl)nnc1Cl ZINC000167217699 346214166 /nfs/dbraw/zinc/21/41/66/346214166.db2.gz AKWQWVZCFNDRFB-WHFBIAKZSA-N 0 0 233.102 2.246 10 0 BEAERN CNS(=O)(=O)[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000669375484 537955520 /nfs/dbraw/zinc/95/55/20/537955520.db2.gz LNFGCJSWBRGMIP-MNOVXSKESA-N 0 0 233.377 2.141 10 0 BEAERN Cn1cnc(C(=O)c2ccc(Cl)cc2)c1 ZINC000236109485 346196064 /nfs/dbraw/zinc/19/60/64/346196064.db2.gz ZOMKFPUNSWMUIE-UHFFFAOYSA-N 0 0 220.659 2.305 10 0 BEAERN Nc1cc(NC2CCSCC2)sn1 ZINC000236355973 346228686 /nfs/dbraw/zinc/22/86/86/346228686.db2.gz CFIZYYPUACUUTR-UHFFFAOYSA-N 0 0 215.347 2.033 10 0 BEAERN Nc1ccc(O)c2ncc(Br)cc12 ZINC000236353106 346231150 /nfs/dbraw/zinc/23/11/50/346231150.db2.gz JMUIFFNLXWDKOA-UHFFFAOYSA-N 0 0 239.072 2.285 10 0 BEAERN Cc1cccc(C(=O)N(C)c2ccc(O)cc2)n1 ZINC000020211163 179005433 /nfs/dbraw/zinc/00/54/33/179005433.db2.gz QNXLLJRPXNDGMA-UHFFFAOYSA-N 0 0 242.278 2.372 10 0 BEAERN Nc1nccc(-c2csc(Cl)c2)n1 ZINC000236387119 346233896 /nfs/dbraw/zinc/23/38/96/346233896.db2.gz IZKBTWASHXENGN-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CO[C@@H](C)C[C@H]1Cc2ccccc2C1=O ZINC000167253377 346223614 /nfs/dbraw/zinc/22/36/14/346223614.db2.gz HZWLBQKUKVATID-ONGXEEELSA-N 0 0 204.269 2.467 10 0 BEAERN COC[C@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000117202338 187317646 /nfs/dbraw/zinc/31/76/46/187317646.db2.gz SVUNZIFTVNSKFX-RYUDHWBXSA-N 0 0 227.348 2.306 10 0 BEAERN Cc1cccc(C(=O)N2CC[C@@H](CCO)C2)c1C ZINC000123033685 179011030 /nfs/dbraw/zinc/01/10/30/179011030.db2.gz MTGDIJIBLOTSIT-ZDUSSCGKSA-N 0 0 247.338 2.148 10 0 BEAERN Cc1cccc(C(=O)N2C[C@@H]3C[C@@H](C)O[C@@H]3C2)c1 ZINC000096070437 179012229 /nfs/dbraw/zinc/01/22/29/179012229.db2.gz QPGYBQGBMJCIPE-KWCYVHTRSA-N 0 0 245.322 2.244 10 0 BEAERN O[C@@H]1CCCc2c(F)cc(F)c(F)c21 ZINC000236524738 346246827 /nfs/dbraw/zinc/24/68/27/346246827.db2.gz NTDAIHPMLLHMLP-MRVPVSSYSA-N 0 0 202.175 2.474 10 0 BEAERN O[C@H](CC1OCCO1)c1cc(F)ccc1Cl ZINC000236533339 346247389 /nfs/dbraw/zinc/24/73/89/346247389.db2.gz NVXSFHZAFAPUSY-SNVBAGLBSA-N 0 0 246.665 2.276 10 0 BEAERN OC[C@](O)(C1=CCCCCC1)C(F)(F)F ZINC000675052260 537962297 /nfs/dbraw/zinc/96/22/97/537962297.db2.gz CIXGXBPWDYOIRC-VIFPVBQESA-N 0 0 224.222 2.163 10 0 BEAERN Cc1csc([C@@H](O)C2=CCCCO2)n1 ZINC000167489647 346254172 /nfs/dbraw/zinc/25/41/72/346254172.db2.gz SJCGQBYQDFQNLB-VIFPVBQESA-N 0 0 211.286 2.179 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CC2(C)C)c1N ZINC000045114961 179023769 /nfs/dbraw/zinc/02/37/69/179023769.db2.gz YYIYKYGFBYUYBY-JTQLQIEISA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCO[C@@H]2C)c1F ZINC000149544597 179024697 /nfs/dbraw/zinc/02/46/97/179024697.db2.gz DPUHZTKMCKVGHE-KOLCDFICSA-N 0 0 237.274 2.041 10 0 BEAERN CC1(C)CC=C([C@](O)(CO)C(F)(F)F)CC1 ZINC000675052620 537963868 /nfs/dbraw/zinc/96/38/68/537963868.db2.gz HAAUBCWOVPNAIX-SNVBAGLBSA-N 0 0 238.249 2.409 10 0 BEAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)C ZINC000122427097 187318953 /nfs/dbraw/zinc/31/89/53/187318953.db2.gz DMJUBSXQRVGJBN-GHMZBOCLSA-N 0 0 212.337 2.472 10 0 BEAERN COc1cccc(OCCCCCO)c1 ZINC000051020419 346268815 /nfs/dbraw/zinc/26/88/15/346268815.db2.gz DLCXYMGOOWHOEJ-UHFFFAOYSA-N 0 0 210.273 2.237 10 0 BEAERN O[C@H](C1CC1)[C@@H]1Cc2ccccc2S1 ZINC000136698046 346281612 /nfs/dbraw/zinc/28/16/12/346281612.db2.gz MKVGNKWCJGHZHO-NWDGAFQWSA-N 0 0 206.310 2.474 10 0 BEAERN FC(F)(F)c1c[nH]c(Br)n1 ZINC000034431448 346281663 /nfs/dbraw/zinc/28/16/63/346281663.db2.gz VFGFJTUKOPRNEJ-UHFFFAOYSA-N 0 0 214.972 2.191 10 0 BEAERN S=c1ccnc(Cc2cccs2)[nH]1 ZINC000236709055 346295447 /nfs/dbraw/zinc/29/54/47/346295447.db2.gz OPGISSMOHVOFQC-UHFFFAOYSA-N 0 0 208.311 2.418 10 0 BEAERN Cc1cccc(C)c1C(=O)NC[C@@H](O)C(C)(C)C ZINC000269645538 179032049 /nfs/dbraw/zinc/03/20/49/179032049.db2.gz YUHRKFMRPYVUOY-GFCCVEGCSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1cccc(C)c1C(=O)NC[C@H]1CCC[C@H]1O ZINC000137567259 179032101 /nfs/dbraw/zinc/03/21/01/179032101.db2.gz IUUUSVWNWGRRLR-CHWSQXEVSA-N 0 0 247.338 2.194 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C1CCC=CCC1 ZINC000636053022 346299888 /nfs/dbraw/zinc/29/98/88/346299888.db2.gz NEIBLLKSWPEUNF-WCQYABFASA-N 0 0 237.343 2.105 10 0 BEAERN [NH3+]Cc1csc2c1cccc2C(=O)[O-] ZINC000215370187 537967847 /nfs/dbraw/zinc/96/78/47/537967847.db2.gz PMORPVVEDABOCQ-UHFFFAOYSA-N 0 0 207.254 2.058 10 0 BEAERN Cc1[nH]nc(C(=O)Nc2c(C)cccc2C)c1N ZINC000050305368 179044087 /nfs/dbraw/zinc/04/40/87/179044087.db2.gz BMOQDBNIHUHKCW-UHFFFAOYSA-N 0 0 244.298 2.169 10 0 BEAERN Cc1cccc(CC(=S)N2CCCC2)n1 ZINC000039124854 179053006 /nfs/dbraw/zinc/05/30/06/179053006.db2.gz WWQSWWFBNBNGIX-UHFFFAOYSA-N 0 0 220.341 2.356 10 0 BEAERN Cc1cccc(CCNC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075980027 179057524 /nfs/dbraw/zinc/05/75/24/179057524.db2.gz XSNHXFCTSMAQNN-AAEUAGOBSA-N 0 0 232.327 2.245 10 0 BEAERN C[C@@H](c1ccncc1)N1CCC(=O)[C@H](C)C1 ZINC000049693730 488314309 /nfs/dbraw/zinc/31/43/09/488314309.db2.gz SOUQNDSSMUNRBD-MNOVXSKESA-N 0 0 218.300 2.054 10 0 BEAERN Cc1ncccc1-c1nc(Br)no1 ZINC000158565484 346398617 /nfs/dbraw/zinc/39/86/17/346398617.db2.gz CWNZEOISPNZXSG-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CC(C)NC(=O)c1cccc(N)c1Cl ZINC000158641295 346399672 /nfs/dbraw/zinc/39/96/72/346399672.db2.gz DNAKPAJMMOOQIK-UHFFFAOYSA-N 0 0 212.680 2.060 10 0 BEAERN Cc1cncc(C(=O)C(F)(F)Cl)c1 ZINC000158666896 346400412 /nfs/dbraw/zinc/40/04/12/346400412.db2.gz KLGHRICBBXNJPJ-UHFFFAOYSA-N 0 0 205.591 2.404 10 0 BEAERN O=C(NC1CC1)c1ccc(Cl)nc1Cl ZINC000148681594 346404970 /nfs/dbraw/zinc/40/49/70/346404970.db2.gz FPYQHCXFJVHZLN-UHFFFAOYSA-N 0 0 231.082 2.281 10 0 BEAERN Cc1c[nH]c2nc(-c3ccccc3)[nH]c(=O)c12 ZINC000148683353 346405252 /nfs/dbraw/zinc/40/52/52/346405252.db2.gz XJYLCCMCIVBPAJ-UHFFFAOYSA-N 0 0 225.251 2.227 10 0 BEAERN C[C@@H]1C[C@H](C)N(C2N=NC(=S)S2)C1 ZINC000158164485 346391069 /nfs/dbraw/zinc/39/10/69/346391069.db2.gz UYXSEYDKHUVYTE-RITPCOANSA-N 0 0 215.347 2.062 10 0 BEAERN Cc1cccc(CN2Cc3cccc(N)c3C2)n1 ZINC000051577558 179085074 /nfs/dbraw/zinc/08/50/74/179085074.db2.gz URUCVTZULBAZTH-UHFFFAOYSA-N 0 0 239.322 2.488 10 0 BEAERN CC1(C)COCCN1c1csc(C=O)c1 ZINC000160536695 346457463 /nfs/dbraw/zinc/45/74/63/346457463.db2.gz FWVASQQWXQTHDL-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN Cc1cccnc1-n1cc(Br)cn1 ZINC000051041348 346460416 /nfs/dbraw/zinc/46/04/16/346460416.db2.gz WNZGZQWALXKYIW-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN O=C1CCO[C@H](CCc2ccccc2)C1 ZINC000069850833 349962362 /nfs/dbraw/zinc/96/23/62/349962362.db2.gz UXPWWIZFVIHLHN-CYBMUJFWSA-N 0 0 204.269 2.367 10 0 BEAERN Cc1ncc(CNCc2cccc(C)n2)s1 ZINC000048329880 179095181 /nfs/dbraw/zinc/09/51/81/179095181.db2.gz IEVSJMAJEZQCOV-UHFFFAOYSA-N 0 0 233.340 2.445 10 0 BEAERN CCC[C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000170904607 346478301 /nfs/dbraw/zinc/47/83/01/346478301.db2.gz CSJSHCRTGOFIHJ-UWVGGRQHSA-N 0 0 215.362 2.387 10 0 BEAERN OC[C@@H]1[C@@H](c2ccc(F)c(F)c2)C1(F)F ZINC000675055056 537982034 /nfs/dbraw/zinc/98/20/34/537982034.db2.gz YJQJQYLEVSQYMF-HZGVNTEJSA-N 0 0 220.165 2.306 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)Cc2ccsc2)CO1 ZINC000162111174 346509831 /nfs/dbraw/zinc/50/98/31/346509831.db2.gz CWWNZYFHURVIBX-PSASIEDQSA-N 0 0 210.298 2.285 10 0 BEAERN C[C@@H]1CC[C@@H](n2ncc(C=O)c2N)C[C@@H]1C ZINC000725242368 537983133 /nfs/dbraw/zinc/98/31/33/537983133.db2.gz XKDMVAJLZHUDDE-WCABBAIRSA-N 0 0 221.304 2.275 10 0 BEAERN Cc1cccc(N(C(N)=S)C(C)C)c1 ZINC000039124870 179110976 /nfs/dbraw/zinc/11/09/76/179110976.db2.gz VMPLVAXXWMXCJI-UHFFFAOYSA-N 0 0 208.330 2.453 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)c1c(C)cccc1N ZINC000036733429 179119194 /nfs/dbraw/zinc/11/91/94/179119194.db2.gz TZBBJTLUNWTHHP-UHFFFAOYSA-N 0 0 244.298 2.169 10 0 BEAERN NC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000149170927 346577646 /nfs/dbraw/zinc/57/76/46/346577646.db2.gz YVUKUHREDBWHLJ-UHFFFAOYSA-N 0 0 235.026 2.001 10 0 BEAERN C[C@]1(C(=O)[C@@H]2CCCOC2)CCCS1 ZINC000164725118 346620426 /nfs/dbraw/zinc/62/04/26/346620426.db2.gz YGYGAMJWBZHTFU-MWLCHTKSSA-N 0 0 214.330 2.268 10 0 BEAERN CC[C@@H](O)CNc1ccc(N)cc1Cl ZINC000164107226 346591046 /nfs/dbraw/zinc/59/10/46/346591046.db2.gz XPPJYRMWEXTLHI-MRVPVSSYSA-N 0 0 214.696 2.105 10 0 BEAERN Nc1ccc(N2CCCO2)c(Br)c1 ZINC000164136394 346592781 /nfs/dbraw/zinc/59/27/81/346592781.db2.gz UMVJAVDFVCQVCS-UHFFFAOYSA-N 0 0 243.104 2.173 10 0 BEAERN CCNC(=S)N(C)c1ccccc1F ZINC000164293098 346598609 /nfs/dbraw/zinc/59/86/09/346598609.db2.gz CNVNSSRLJGIAGM-UHFFFAOYSA-N 0 0 212.293 2.156 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@H]([C@H](C)O)C1 ZINC000580701304 346603355 /nfs/dbraw/zinc/60/33/55/346603355.db2.gz DHTXHAJKUQPIDY-RYUDHWBXSA-N 0 0 249.358 2.197 10 0 BEAERN CCNC(=S)N1[C@H](C)CC[C@H]1CC ZINC000164488889 346606774 /nfs/dbraw/zinc/60/67/74/346606774.db2.gz XTKRUJIJUYTROU-RKDXNWHRSA-N 0 0 200.351 2.144 10 0 BEAERN COc1cc2c(cc1OC)C(C)(C)CN=C2 ZINC000164619057 346612877 /nfs/dbraw/zinc/61/28/77/346612877.db2.gz DBZYYELJDAQDLJ-UHFFFAOYSA-N 0 0 219.284 2.414 10 0 BEAERN CC[C@@H](C)Cc1nc(Br)no1 ZINC000164663095 346615474 /nfs/dbraw/zinc/61/54/74/346615474.db2.gz SMRDUKBEZWOUHT-RXMQYKEDSA-N 0 0 219.082 2.421 10 0 BEAERN N[C@H](c1csnn1)c1ccc(Cl)s1 ZINC000164703662 346618035 /nfs/dbraw/zinc/61/80/35/346618035.db2.gz PHPQCKPGZOSKOO-SSDOTTSWSA-N 0 0 231.733 2.301 10 0 BEAERN Cc1cccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000134926493 179136074 /nfs/dbraw/zinc/13/60/74/179136074.db2.gz BBMKQHFFOPHNMZ-QWRGUYRKSA-N 0 0 236.315 2.133 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000149262170 346663665 /nfs/dbraw/zinc/66/36/65/346663665.db2.gz HNKWRCUWLJJYGD-LLVKDONJSA-N 0 0 220.272 2.375 10 0 BEAERN Cc1cccc(NC(=O)C[C@@H](C)O)c1C ZINC000021952007 179129222 /nfs/dbraw/zinc/12/92/22/179129222.db2.gz UKFCWRVIWVAFNC-SECBINFHSA-N 0 0 207.273 2.013 10 0 BEAERN CC(=O)CCC(=O)N[C@H](C)C1CCCC1 ZINC000203580890 346640373 /nfs/dbraw/zinc/64/03/73/346640373.db2.gz NWZIRRJZDOETDS-SNVBAGLBSA-N 0 0 211.305 2.051 10 0 BEAERN Cc1cccc(NC(=O)[C@@H]2CCCO[C@@H]2C)n1 ZINC000188806194 179138421 /nfs/dbraw/zinc/13/84/21/179138421.db2.gz LOEBLFOHFXKHIX-GHMZBOCLSA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cccc(NC(=O)c2cc(N)c[nH]2)c1 ZINC000036861171 179142202 /nfs/dbraw/zinc/14/22/02/179142202.db2.gz NIPVAANHNDZJRC-UHFFFAOYSA-N 0 0 215.256 2.158 10 0 BEAERN Cc1cccc(NCC(=O)NCC(C)C)c1C ZINC000020055848 179144182 /nfs/dbraw/zinc/14/41/82/179144182.db2.gz HLWYIVCITCGHJH-UHFFFAOYSA-N 0 0 234.343 2.488 10 0 BEAERN Cc1cccc(NCc2ccn(C)n2)c1F ZINC000132529766 179149811 /nfs/dbraw/zinc/14/98/11/179149811.db2.gz KWHAVKYVRDOOHY-UHFFFAOYSA-N 0 0 219.263 2.480 10 0 BEAERN CC(C)c1cc(I)n[nH]1 ZINC000168646509 346739416 /nfs/dbraw/zinc/73/94/16/346739416.db2.gz XQEGAVHBHVYKKR-UHFFFAOYSA-N 0 0 236.056 2.138 10 0 BEAERN COC(=O)C1=C(O)[C@H](c2ccccc2)CCC1 ZINC000168771365 346743066 /nfs/dbraw/zinc/74/30/66/346743066.db2.gz SZKVDOPDAHZUIS-RYUDHWBXSA-N 0 0 232.279 2.312 10 0 BEAERN Cc1cccc(N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000037670698 179152976 /nfs/dbraw/zinc/15/29/76/179152976.db2.gz IFYNYQYEFNNXAS-QWRGUYRKSA-N 0 0 206.289 2.369 10 0 BEAERN Cc1cccc(N[C@@H](C(N)=O)C(C)(C)C)c1 ZINC000041051716 179153346 /nfs/dbraw/zinc/15/33/46/179153346.db2.gz YDDPEIHSTJRRLA-NSHDSACASA-N 0 0 220.316 2.307 10 0 BEAERN CC(C)Nc1ccc(C(N)=S)c(F)c1 ZINC000169002088 346750488 /nfs/dbraw/zinc/75/04/88/346750488.db2.gz OXBNRYPIFAHKNW-UHFFFAOYSA-N 0 0 212.293 2.280 10 0 BEAERN Cc1cccc(N[C@@H]2CCCCNC2=O)c1C ZINC000020055897 179154557 /nfs/dbraw/zinc/15/45/57/179154557.db2.gz SLRDBYWKQFCKIB-CYBMUJFWSA-N 0 0 232.327 2.384 10 0 BEAERN CCCC(=O)Nc1ccc(O)c([C@H](C)O)c1 ZINC000020030783 168564437 /nfs/dbraw/zinc/56/44/37/168564437.db2.gz MVIVDADDBIIXGJ-QMMMGPOBSA-N 0 0 223.272 2.184 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189942041 179161076 /nfs/dbraw/zinc/16/10/76/179161076.db2.gz XMMDGVQQISDVLL-QWRGUYRKSA-N 0 0 249.310 2.454 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCCC1CCCC1 ZINC000170806444 346796910 /nfs/dbraw/zinc/79/69/10/346796910.db2.gz LVUQGBZGXRRRBP-KOLCDFICSA-N 0 0 210.321 2.274 10 0 BEAERN CC1(C)CCN(Cc2nc(CO)cs2)CC1 ZINC000669380223 537986652 /nfs/dbraw/zinc/98/66/52/537986652.db2.gz VTUSXKZMOWJSMI-UHFFFAOYSA-N 0 0 240.372 2.257 10 0 BEAERN Cc1cccc(OC[C@@H]2CN(C)C(=O)O2)c1C ZINC000028705294 179171000 /nfs/dbraw/zinc/17/10/00/179171000.db2.gz UWNKJJCNLMBGKB-NSHDSACASA-N 0 0 235.283 2.133 10 0 BEAERN O=C(c1ccc(Cl)cc1)[C@@H]1COC(=O)C1 ZINC000039626302 347192680 /nfs/dbraw/zinc/19/26/80/347192680.db2.gz VQDBQMGPRBTKAK-QMMMGPOBSA-N 0 0 224.643 2.086 10 0 BEAERN Nc1cnc(SCC2CCCC2)nc1 ZINC000062835577 347170404 /nfs/dbraw/zinc/17/04/04/347170404.db2.gz HZBLCGHGVGFQSN-UHFFFAOYSA-N 0 0 209.318 2.341 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Cc1ccc(F)cc1 ZINC000038953856 347171228 /nfs/dbraw/zinc/17/12/28/347171228.db2.gz ZQNCMRMZOOBMQQ-VIFPVBQESA-N 0 0 238.258 2.137 10 0 BEAERN Cc1c(OCc2ccccc2)ccnc1CO ZINC000039150495 347181048 /nfs/dbraw/zinc/18/10/48/347181048.db2.gz IWAJCFFIPYZWCX-UHFFFAOYSA-N 0 0 229.279 2.461 10 0 BEAERN Cc1cccc([C@@H]2C=CS(=O)(=O)C2)c1C ZINC000040173740 179189439 /nfs/dbraw/zinc/18/94/39/179189439.db2.gz YNHNSGJZZXZAHV-LLVKDONJSA-N 0 0 222.309 2.329 10 0 BEAERN CCOC(=O)[C@@H]1CNc2cccc(Cl)c2O1 ZINC000060270879 347238797 /nfs/dbraw/zinc/23/87/97/347238797.db2.gz MUQOFNHCGYPMLH-VIFPVBQESA-N 0 0 241.674 2.076 10 0 BEAERN C[N@H+](C1CCCC1)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000250432646 362804876 /nfs/dbraw/zinc/80/48/76/362804876.db2.gz RKPWSNFVXQVJNK-MNOVXSKESA-N 0 0 211.305 2.114 10 0 BEAERN O=[N+]([O-])c1cnc(OC(F)(F)F)c(CF)c1 ZINC000390340322 347327564 /nfs/dbraw/zinc/32/75/64/347327564.db2.gz MQLJRQMPLGTGKS-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN CCOC(=O)[C@H]1C[C@H](c2ccccc2)CCN1 ZINC000138276995 347368216 /nfs/dbraw/zinc/36/82/16/347368216.db2.gz BFQQCYSPWIXGQG-CHWSQXEVSA-N 0 0 233.311 2.085 10 0 BEAERN Cc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)C(=O)[O-] ZINC000049357831 179220679 /nfs/dbraw/zinc/22/06/79/179220679.db2.gz KERSSBDLUYBLOW-CMPLNLGQSA-N 0 0 249.310 2.271 10 0 BEAERN O=c1[nH]cc(-c2cncc3ccccc32)cc1O ZINC000145249274 347388362 /nfs/dbraw/zinc/38/83/62/347388362.db2.gz ATWGTFJOWHXQCA-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN Cc1ccc(O)c(C(=O)N[C@@H](C)C(C)C)c1 ZINC000020304754 347394901 /nfs/dbraw/zinc/39/49/01/347394901.db2.gz YXBFJVKUICYJIZ-JTQLQIEISA-N 0 0 221.300 2.475 10 0 BEAERN Cc1cccc2nc3c(c(N)c12)CCCO3 ZINC000027405641 179231618 /nfs/dbraw/zinc/23/16/18/179231618.db2.gz BDRIZQJMKALXBR-UHFFFAOYSA-N 0 0 214.268 2.450 10 0 BEAERN Cc1cccc2sc(NC(N)=O)nc21 ZINC000201088964 179234698 /nfs/dbraw/zinc/23/46/98/179234698.db2.gz LVBOZAHYYFCNOB-UHFFFAOYSA-N 0 0 207.258 2.095 10 0 BEAERN CNc1cccc(C2C(C)=NN(C)C2=O)c1 ZINC000675055298 537990042 /nfs/dbraw/zinc/99/00/42/537990042.db2.gz ZLEAHCCOULUFLO-UHFFFAOYSA-N 0 0 217.272 2.143 10 0 BEAERN CCn1c(C)nnc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000195116994 347442453 /nfs/dbraw/zinc/44/24/53/347442453.db2.gz YKGHXTDLALTKGJ-NSHDSACASA-N 0 0 236.363 2.228 10 0 BEAERN OCCn1ccnc1SCc1ccccc1 ZINC000526059810 347443124 /nfs/dbraw/zinc/44/31/24/347443124.db2.gz MNLZGYJJOQLAJY-UHFFFAOYSA-N 0 0 234.324 2.168 10 0 BEAERN CC(C)C1=NC(Cl)=C2CCCN=C2N1 ZINC000616568201 347444731 /nfs/dbraw/zinc/44/47/31/347444731.db2.gz FZNBJQJXHLNLAL-UHFFFAOYSA-N 0 0 211.696 2.287 10 0 BEAERN CC(C)[S@](=N)(=O)C1CCSCC1 ZINC000616568321 347445840 /nfs/dbraw/zinc/44/58/40/347445840.db2.gz IKZGVVXQAHYIFJ-LBPRGKRZSA-N 0 0 207.364 2.337 10 0 BEAERN Cc1cccc2cnn(CCC(N)=S)c21 ZINC000045921622 179228673 /nfs/dbraw/zinc/22/86/73/179228673.db2.gz ACGXGDWYOZCQLO-UHFFFAOYSA-N 0 0 219.313 2.021 10 0 BEAERN FC(F)(F)c1cc(Cl)c2ncnn2c1 ZINC000616568969 347485928 /nfs/dbraw/zinc/48/59/28/347485928.db2.gz JXPYJRMOJOOFBV-UHFFFAOYSA-N 0 0 221.569 2.402 10 0 BEAERN Clc1cc2ncnn2cc1Br ZINC000616568784 347469803 /nfs/dbraw/zinc/46/98/03/347469803.db2.gz CYZXKNQRRPXFOB-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CCn1ncnc1-c1ccc(NC)cc1 ZINC000669380463 537990316 /nfs/dbraw/zinc/99/03/16/537990316.db2.gz NVMLNMDZMJQDAQ-UHFFFAOYSA-N 0 0 202.261 2.007 10 0 BEAERN CC(C)(C)Nc1nc(N)n(Cc2ccccc2)n1 ZINC000149744732 347508262 /nfs/dbraw/zinc/50/82/62/347508262.db2.gz MLHJGYMHPGVXIF-UHFFFAOYSA-N 0 0 245.330 2.119 10 0 BEAERN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000225673515 179250955 /nfs/dbraw/zinc/25/09/55/179250955.db2.gz JORRHDGNPFVZMY-TZMCWYRMSA-N 0 0 247.338 2.276 10 0 BEAERN Cc1ncccc1Oc1cc(F)ncn1 ZINC000149920063 347566024 /nfs/dbraw/zinc/56/60/24/347566024.db2.gz YUCZJQLWFHOXHK-UHFFFAOYSA-N 0 0 205.192 2.111 10 0 BEAERN Cc1ccccc1CC(=O)NC[C@H](O)C(C)(C)C ZINC000268649307 179259234 /nfs/dbraw/zinc/25/92/34/179259234.db2.gz DDRMEMXFTRRGIH-ZDUSSCGKSA-N 0 0 249.354 2.061 10 0 BEAERN Cc1ccccc1CC(=O)NC[C@@H](O)C(C)(C)C ZINC000268649305 179259470 /nfs/dbraw/zinc/25/94/70/179259470.db2.gz DDRMEMXFTRRGIH-CYBMUJFWSA-N 0 0 249.354 2.061 10 0 BEAERN Cc1ccccc1CC(=O)N[C@H]1C[C@H]1C ZINC000075529647 179260721 /nfs/dbraw/zinc/26/07/21/179260721.db2.gz MKQVWMCENLWKGO-PWSUYJOCSA-N 0 0 203.285 2.062 10 0 BEAERN CCN(C(=O)c1cccc(F)c1N)C1CC1 ZINC000054207210 1172093580 /nfs/dbraw/zinc/09/35/80/1172093580.db2.gz DLTYEDXJLJYKIB-UHFFFAOYSA-N 0 0 222.263 2.032 10 0 BEAERN Nc1c(F)cccc1C(=O)Nc1cccnc1 ZINC000054206097 1172094322 /nfs/dbraw/zinc/09/43/22/1172094322.db2.gz VMRCLBLXUYLBSR-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN Cc1ccccc1CCc1cc(N)on1 ZINC000041211083 179266818 /nfs/dbraw/zinc/26/68/18/179266818.db2.gz FSXZVWFAVBSNSM-UHFFFAOYSA-N 0 0 202.257 2.350 10 0 BEAERN Cc1ccccc1CCc1cc(N)n(C)n1 ZINC000041228469 179267393 /nfs/dbraw/zinc/26/73/93/179267393.db2.gz JKLGLIYMSZOZLL-UHFFFAOYSA-N 0 0 215.300 2.096 10 0 BEAERN COC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000028479697 323152689 /nfs/dbraw/zinc/15/26/89/323152689.db2.gz CORNDUVVHXRXAQ-UHFFFAOYSA-N 0 0 220.228 2.133 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC[C@H](O)CC(C)(C)C ZINC000172279771 347716869 /nfs/dbraw/zinc/71/68/69/347716869.db2.gz UOAIOLVAJUCSLN-GHMZBOCLSA-N 0 0 244.379 2.127 10 0 BEAERN Cc1ccccc1CNC(=O)[C@H]1CCCO[C@H]1C ZINC000190658107 179279349 /nfs/dbraw/zinc/27/93/49/179279349.db2.gz LCULYSHIMYDSOH-JSGCOSHPSA-N 0 0 247.338 2.426 10 0 BEAERN Cc1ccccc1N(C)c1ncc(N)cn1 ZINC000049979835 179294024 /nfs/dbraw/zinc/29/40/24/179294024.db2.gz GOHVFTQLMSNXHR-UHFFFAOYSA-N 0 0 214.272 2.135 10 0 BEAERN O=C1Cc2cc3c(cc2S1)CC(=O)S3 ZINC000196129084 347802505 /nfs/dbraw/zinc/80/25/05/347802505.db2.gz ODWSUCFXNQUUAT-UHFFFAOYSA-N 0 0 222.290 2.036 10 0 BEAERN CC(C)C(=O)NC[C@@H]1CCNc2ccccc21 ZINC000616569700 347806056 /nfs/dbraw/zinc/80/60/56/347806056.db2.gz BXRRGANKBYRTEM-NSHDSACASA-N 0 0 232.327 2.358 10 0 BEAERN Cc1nn(Cc2ccccc2C)c2[nH]nc(N)c12 ZINC000111728103 179294798 /nfs/dbraw/zinc/29/47/98/179294798.db2.gz BZUWDFGZULZTIV-UHFFFAOYSA-N 0 0 241.298 2.007 10 0 BEAERN Cc1ccccc1NCC(=O)NCC(C)C ZINC000020056204 179305189 /nfs/dbraw/zinc/30/51/89/179305189.db2.gz KBNMHCFMHVIHOI-UHFFFAOYSA-N 0 0 220.316 2.179 10 0 BEAERN CCn1cnc(C(C)C)c(Br)c1=O ZINC000725243389 537993723 /nfs/dbraw/zinc/99/37/23/537993723.db2.gz BGQHESMEHXSWOW-UHFFFAOYSA-N 0 0 245.120 2.149 10 0 BEAERN CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCS1 ZINC000253078356 347929094 /nfs/dbraw/zinc/92/90/94/347929094.db2.gz SXGVADQXINXLHC-JGPRNRPPSA-N 0 0 239.384 2.387 10 0 BEAERN O=c1snc(Cl)c(Cl)c1Cl ZINC000196618692 347952785 /nfs/dbraw/zinc/95/27/85/347952785.db2.gz LWVUYOGXSRSYRV-UHFFFAOYSA-N 0 0 216.476 2.464 10 0 BEAERN Cc1ccsc1-c1nn(C)c(N)c1C ZINC000036938072 347967351 /nfs/dbraw/zinc/96/73/51/347967351.db2.gz HLRYHKLKJKRAOO-UHFFFAOYSA-N 0 0 207.302 2.348 10 0 BEAERN CC(C)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000669381407 537996444 /nfs/dbraw/zinc/99/64/44/537996444.db2.gz IVYMWDUVSHLCEA-SRVKXCTJSA-N 0 0 245.388 2.141 10 0 BEAERN Cc1cccc2c1OCc1ncccc1[C@H]2O ZINC000196703697 347995483 /nfs/dbraw/zinc/99/54/83/347995483.db2.gz FGCNKQZFCRTECW-CYBMUJFWSA-N 0 0 227.263 2.364 10 0 BEAERN Clc1ccc(Sc2nncs2)nn1 ZINC000037066235 348018991 /nfs/dbraw/zinc/01/89/91/348018991.db2.gz ZBJTVJCVUMDTQN-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN Cc1ccccc1[C@H](C)N1C(=O)[C@@H](C)NC1=S ZINC000015569774 179333760 /nfs/dbraw/zinc/33/37/60/179333760.db2.gz NTCBCCPKFVKKGR-ZJUUUORDSA-N 0 0 248.351 2.161 10 0 BEAERN Cc1ccccc1[C@H](C)n1nccc1N ZINC000019689244 179340184 /nfs/dbraw/zinc/34/01/84/179340184.db2.gz HYQZVSPOVLIYCS-JTQLQIEISA-N 0 0 201.273 2.383 10 0 BEAERN Cc1nnnn1-c1cccc2ccccc21 ZINC000202646420 348034530 /nfs/dbraw/zinc/03/45/30/348034530.db2.gz PTTMMONNYVLHRZ-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN Cc1ccccc1[C@H](CC(=O)[O-])[NH+](C)C ZINC000057494618 179340891 /nfs/dbraw/zinc/34/08/91/179340891.db2.gz UVXYBIVMPXEVTM-NSHDSACASA-N 0 0 207.273 2.072 10 0 BEAERN COc1cc(OC)cc([Si](C)(C)C)c1 ZINC000196915095 348053833 /nfs/dbraw/zinc/05/38/33/348053833.db2.gz LPAACDPLYZJUAO-UHFFFAOYSA-N 0 0 210.349 2.249 10 0 BEAERN CCCc1c(Cl)nc2ccc(F)cn2c1=O ZINC000725244816 537997647 /nfs/dbraw/zinc/99/76/47/537997647.db2.gz MNBHTQUCXRRKRF-UHFFFAOYSA-N 0 0 240.665 2.440 10 0 BEAERN Cc1cccn2c(N)c(-c3ccccn3)nc12 ZINC000036222066 179355493 /nfs/dbraw/zinc/35/54/93/179355493.db2.gz XZDIHWUZZFOGMA-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1cccnc1-c1noc([C@H]2CCCC2=O)n1 ZINC000104060105 179358865 /nfs/dbraw/zinc/35/88/65/179358865.db2.gz NLWLYLNMPDCRLM-VIFPVBQESA-N 0 0 243.266 2.277 10 0 BEAERN Cc1cccc(Cl)c1N1CCOCC1=O ZINC000725244415 537998986 /nfs/dbraw/zinc/99/89/86/537998986.db2.gz OHOZRIWXKKTJBF-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN Cc1cccnc1COC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192107692 179385424 /nfs/dbraw/zinc/38/54/24/179385424.db2.gz PYFKSOZUXIGMCB-VXGBXAGGSA-N 0 0 249.310 2.248 10 0 BEAERN CCCC[C@@]1(CO)COc2ccccc2O1 ZINC000225005926 348274049 /nfs/dbraw/zinc/27/40/49/348274049.db2.gz WTYCDGKKFQOHSA-CYBMUJFWSA-N 0 0 222.284 2.379 10 0 BEAERN Cc1cccnc1N1Cc2ccc(N)cc2C1 ZINC000036683427 179389484 /nfs/dbraw/zinc/38/94/84/179389484.db2.gz CGICPLHMVZICMS-UHFFFAOYSA-N 0 0 225.295 2.492 10 0 BEAERN Cc1cccnc1N1C(=O)c2ccccc2C1=O ZINC000028760238 179388484 /nfs/dbraw/zinc/38/84/84/179388484.db2.gz MJPZDSDDTGJFNE-UHFFFAOYSA-N 0 0 238.246 2.191 10 0 BEAERN Cc1cccnc1Nc1ncnc(Cl)c1N ZINC000040571841 179395503 /nfs/dbraw/zinc/39/55/03/179395503.db2.gz JIRUHJLGAZQQCF-UHFFFAOYSA-N 0 0 235.678 2.159 10 0 BEAERN C[C@@H](C1CCCC1)[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000251513641 362883623 /nfs/dbraw/zinc/88/36/23/362883623.db2.gz IRLNKZUXTSEVPF-ONGXEEELSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccnc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000120041258 179392642 /nfs/dbraw/zinc/39/26/42/179392642.db2.gz IBTYZSSPFOTXMZ-NSHDSACASA-N 0 0 248.326 2.391 10 0 BEAERN Cc1cccnc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188805562 179392838 /nfs/dbraw/zinc/39/28/38/179392838.db2.gz VOXCGSWEJBSXFZ-GHMZBOCLSA-N 0 0 234.299 2.144 10 0 BEAERN CO[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037346718 348348470 /nfs/dbraw/zinc/34/84/70/348348470.db2.gz KVXYAISGYAYIHW-ZCFIWIBFSA-N 0 0 200.184 2.182 10 0 BEAERN CC[C@H](C)[C@H](O)[C@H]1CSCCS1 ZINC000251663439 362896218 /nfs/dbraw/zinc/89/62/18/362896218.db2.gz BYAUSGZLBFUUII-YIZRAAEISA-N 0 0 206.376 2.242 10 0 BEAERN Cc1ccn(-c2cncc(Br)c2)n1 ZINC000072192791 179399751 /nfs/dbraw/zinc/39/97/51/179399751.db2.gz PTTTWPNQMFSXQZ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1ccn(-c2c(N)cccc2Cl)n1 ZINC000020353474 179399871 /nfs/dbraw/zinc/39/98/71/179399871.db2.gz GFUPUOFHGJPKQQ-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CN(C)CC(=O)c1coc2ccccc12 ZINC000037333590 348339905 /nfs/dbraw/zinc/33/99/05/348339905.db2.gz LXJXXCSKFNMWEK-UHFFFAOYSA-N 0 0 203.241 2.177 10 0 BEAERN Cc1ccn2c(c1)nnc2NC(=O)[C@H](C)C1CC1 ZINC000121918743 179414253 /nfs/dbraw/zinc/41/42/53/179414253.db2.gz HZKVTHASODQFBT-SECBINFHSA-N 0 0 244.298 2.022 10 0 BEAERN C[C@@H]1C[C@@H](NOC(C)(C)C)C[C@H](C)O1 ZINC000251779300 362914371 /nfs/dbraw/zinc/91/43/71/362914371.db2.gz FLHUDVTVFCWBBI-ILWJIGKKSA-N 0 0 201.310 2.262 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@]2(CO2)C(F)(F)C1 ZINC000669382086 538002807 /nfs/dbraw/zinc/00/28/07/538002807.db2.gz GFTHGIFRDBRDLI-JTQLQIEISA-N 0 0 249.257 2.032 10 0 BEAERN CN(C)Cc1c(N)cccc1Br ZINC000037401838 348421370 /nfs/dbraw/zinc/42/13/70/348421370.db2.gz RVKPYBUBAMQVFV-UHFFFAOYSA-N 0 0 229.121 2.093 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)CC1CCCC1 ZINC000669382736 538004909 /nfs/dbraw/zinc/00/49/09/538004909.db2.gz KRRTZGAQXPJYNZ-MNOVXSKESA-N 0 0 232.707 2.464 10 0 BEAERN CC1=C[C@H](C)C[C@@H](C[C@@H](C[NH3+])C(=O)[O-])C1 ZINC000725246127 538005239 /nfs/dbraw/zinc/00/52/39/538005239.db2.gz KKFBXUGLHYXRPI-GDPRMGEGSA-N 0 0 211.305 2.028 10 0 BEAERN [NH3+]C[C@H](CC(=O)[O-])c1ccc(C(F)F)cc1 ZINC000124706442 538005725 /nfs/dbraw/zinc/00/57/25/538005725.db2.gz DDHADMKMBIDYEF-VIFPVBQESA-N 0 0 229.226 2.141 10 0 BEAERN COC(=O)[C@@]1(CC(C)C)OC12CCSCC2 ZINC000669383074 538007002 /nfs/dbraw/zinc/00/70/02/538007002.db2.gz FZNKIJLWGJWLIG-GFCCVEGCSA-N 0 0 244.356 2.240 10 0 BEAERN C[C@H]([C@H](C)C(=O)[O-])[N@@H+]1CCCCC[C@@H]1C ZINC000222030806 350000175 /nfs/dbraw/zinc/00/01/75/350000175.db2.gz MPLVJDCHHOLBJM-GARJFASQSA-N 0 0 213.321 2.360 10 0 BEAERN Cc1ccc(-c2nc(C)cc(=O)[nH]2)s1 ZINC000037504345 348627867 /nfs/dbraw/zinc/62/78/67/348627867.db2.gz OPANMMZSKAQAAV-UHFFFAOYSA-N 0 0 206.270 2.115 10 0 BEAERN CCOc1ccc(-n2oc(C)cc2=O)cc1 ZINC000207002237 348717730 /nfs/dbraw/zinc/71/77/30/348717730.db2.gz MQPKYEWETKLSFA-UHFFFAOYSA-N 0 0 219.240 2.138 10 0 BEAERN Cc1cnc(N[C@H]2CCC[C@@H](O)C2)s1 ZINC000302822694 179642184 /nfs/dbraw/zinc/64/21/84/179642184.db2.gz FEWFTQZXGZUTEK-DTWKUNHWSA-N 0 0 212.318 2.167 10 0 BEAERN COC(=O)[C@@]1(CC(C)C)OC12CCCC2 ZINC000669383659 538011281 /nfs/dbraw/zinc/01/12/81/538011281.db2.gz JPBJFIUTISIPGQ-GFCCVEGCSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ncc(-c2c(C)cncc2C)n1C ZINC000039105046 179663375 /nfs/dbraw/zinc/66/33/75/179663375.db2.gz XTKCNDIAWNLELY-UHFFFAOYSA-N 0 0 201.273 2.407 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12CCCC21CCC1 ZINC000669383564 538010962 /nfs/dbraw/zinc/01/09/62/538010962.db2.gz JKLCVVMYSPACMS-STQMWFEESA-N 0 0 224.300 2.431 10 0 BEAERN COC(=O)[C@@]1(CC(C)C)O[C@]1(C)C(C)C ZINC000669384057 538012138 /nfs/dbraw/zinc/01/21/38/538012138.db2.gz MZGRQABBEGKEJC-VXGBXAGGSA-N 0 0 214.305 2.389 10 0 BEAERN CC[C@@H](C)CNc1noc2c1CCOC2 ZINC000669384708 538017018 /nfs/dbraw/zinc/01/70/18/538017018.db2.gz BXJYRXSOGZULFM-MRVPVSSYSA-N 0 0 210.277 2.205 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2O)C1 ZINC000110915123 348928048 /nfs/dbraw/zinc/92/80/48/348928048.db2.gz NFMDPIFBYYEDDH-ZWNOBZJWSA-N 0 0 241.331 2.158 10 0 BEAERN CCOC1(C(N)=S)CCC(C)CC1 ZINC000159158003 348975132 /nfs/dbraw/zinc/97/51/32/348975132.db2.gz KEFBMYPHZKLVKX-UHFFFAOYSA-N 0 0 201.335 2.258 10 0 BEAERN Nc1ccc(=O)n(C2CCCCCC2)c1 ZINC000725249169 538019201 /nfs/dbraw/zinc/01/92/01/538019201.db2.gz SIJDSWCGWMPLAZ-UHFFFAOYSA-N 0 0 206.289 2.326 10 0 BEAERN C[C@H]1CCCC[C@@H]1n1cc(N)ccc1=O ZINC000725249256 538019253 /nfs/dbraw/zinc/01/92/53/538019253.db2.gz OCTALNHGXQOXRG-ONGXEEELSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@@H]1CCC[C@H](n2ccc(=O)c(N)c2)C1 ZINC000725249179 538019592 /nfs/dbraw/zinc/01/95/92/538019592.db2.gz VRVKFRNXANXZIQ-ZJUUUORDSA-N 0 0 206.289 2.182 10 0 BEAERN Cc1cnn(CCNc2ccc(F)cc2)c1 ZINC000053534438 179741141 /nfs/dbraw/zinc/74/11/41/179741141.db2.gz XMIXLHZMNOYAKW-UHFFFAOYSA-N 0 0 219.263 2.443 10 0 BEAERN Nc1ccn(CC[C@H]2CCCC2(F)F)n1 ZINC000725249800 538022778 /nfs/dbraw/zinc/02/27/78/538022778.db2.gz HRAZFGNYVKDTJO-MRVPVSSYSA-N 0 0 215.247 2.291 10 0 BEAERN O=Cc1ccc(F)c(-c2cccnn2)c1 ZINC000616573628 349072103 /nfs/dbraw/zinc/07/21/03/349072103.db2.gz GJQJWRUPYSEECR-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN CCC[C@@H](C)C(=O)Nc1cnc(N)c(OC)c1 ZINC000616574129 349076256 /nfs/dbraw/zinc/07/62/56/349076256.db2.gz XIIDMSUZHORYIG-MRVPVSSYSA-N 0 0 237.303 2.047 10 0 BEAERN CC(=O)c1ccc(OC(F)(F)F)c(N)c1 ZINC000616575497 349089836 /nfs/dbraw/zinc/08/98/36/349089836.db2.gz CYSFLDXRSXQDKB-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN CCOc1ccc(CO)c(OC(F)(F)F)c1 ZINC000616577145 349107640 /nfs/dbraw/zinc/10/76/40/349107640.db2.gz VNHQPWUPRJOLIQ-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CCOc1cc(CO)ccc1OC(F)(F)F ZINC000616575794 349094888 /nfs/dbraw/zinc/09/48/88/349094888.db2.gz FLVLEHMJHUUSBM-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CCCOc1cc(C(=O)OC)ccc1C=O ZINC000616577091 349105888 /nfs/dbraw/zinc/10/58/88/349105888.db2.gz DRNLCKJWCMOXIZ-UHFFFAOYSA-N 0 0 222.240 2.075 10 0 BEAERN CC1(C)OC(=O)O/C1=C\Br ZINC000012402015 190979132 /nfs/dbraw/zinc/97/91/32/190979132.db2.gz SLWVGAOIRONSFA-ARJAWSKDSA-N 0 0 207.023 2.168 10 0 BEAERN O=Cc1cnn(-c2csc(C(F)(F)F)n2)c1 ZINC000725253474 538037742 /nfs/dbraw/zinc/03/77/42/538037742.db2.gz LVCSSEJOGYGOMO-UHFFFAOYSA-N 0 0 247.201 2.160 10 0 BEAERN COC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000136895325 349265357 /nfs/dbraw/zinc/26/53/57/349265357.db2.gz KYZAQXQRFZBAQA-UHFFFAOYSA-N 0 0 248.065 2.105 10 0 BEAERN Cc1nc(Cl)nc(NC2CCCC2)c1N ZINC000039287038 349274535 /nfs/dbraw/zinc/27/45/35/349274535.db2.gz PJNOERZCERVDIT-UHFFFAOYSA-N 0 0 226.711 2.375 10 0 BEAERN O=C1CCc2cc(CN3CCSC3)ccc21 ZINC000060324800 349284226 /nfs/dbraw/zinc/28/42/26/349284226.db2.gz ZZDKQCAYHQUFEB-UHFFFAOYSA-N 0 0 233.336 2.322 10 0 BEAERN Cc1nc(-c2ccncc2)[nH]c(=S)c1C ZINC000045956193 179870318 /nfs/dbraw/zinc/87/03/18/179870318.db2.gz CSNJNSPJDCQJSD-UHFFFAOYSA-N 0 0 217.297 2.444 10 0 BEAERN Cc1nc(F)c([C@@H](C)O)cc1Br ZINC000217082560 350037167 /nfs/dbraw/zinc/03/71/67/350037167.db2.gz NEGFHEMVJPKMPC-RXMQYKEDSA-N 0 0 234.068 2.345 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC[C@H](C)[C@H](C)C2 ZINC000251689975 538049616 /nfs/dbraw/zinc/04/96/16/538049616.db2.gz HDTNXHNMXBIMSI-QCMRWSPLSA-N 0 0 212.289 2.143 10 0 BEAERN CCc1cc(Cl)nc([C@H]2CCOC2)n1 ZINC000051691307 350049206 /nfs/dbraw/zinc/04/92/06/350049206.db2.gz LALAGZAUHHSUAH-ZETCQYMHSA-N 0 0 212.680 2.196 10 0 BEAERN COc1ccc(CC[C@@H](O)C2CC2)cc1 ZINC000070778882 350055963 /nfs/dbraw/zinc/05/59/63/350055963.db2.gz XDWCULPYLPVQIF-CYBMUJFWSA-N 0 0 206.285 2.399 10 0 BEAERN C[S@](=O)c1ccc(Br)s1 ZINC000217645259 350067072 /nfs/dbraw/zinc/06/70/72/350067072.db2.gz AZBQFUOAHRPIAT-VIFPVBQESA-N 0 0 225.132 2.248 10 0 BEAERN Cc1nc(Cl)nc2c1ncn2C(C)C ZINC000004243292 179992505 /nfs/dbraw/zinc/99/25/05/179992505.db2.gz JSCNEGBFMQTSPQ-UHFFFAOYSA-N 0 0 210.668 2.369 10 0 BEAERN Cc1nc(N)sc1SCc1ccno1 ZINC000020254127 180000359 /nfs/dbraw/zinc/00/03/59/180000359.db2.gz OPUNMZWIYKXERC-UHFFFAOYSA-N 0 0 227.314 2.314 10 0 BEAERN Cc1nc(NC(=O)CC(C)C)sc1N ZINC000074372671 180007808 /nfs/dbraw/zinc/00/78/08/180007808.db2.gz HDFRBURKNCQQDI-UHFFFAOYSA-N 0 0 213.306 2.018 10 0 BEAERN Cc1nc(=NN)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000031863454 180020165 /nfs/dbraw/zinc/02/01/65/180020165.db2.gz OSBGCTKXBLXTBV-ZCFIWIBFSA-N 0 0 248.355 2.410 10 0 BEAERN Cc1[nH]c(=NN)sc1-c1cccs1 ZINC000057496578 180022150 /nfs/dbraw/zinc/02/21/50/180022150.db2.gz IIAOMYATWFZURM-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN Cc1[nH]c(=NN)sc1-c1ccccc1 ZINC000039105405 180022460 /nfs/dbraw/zinc/02/24/60/180022460.db2.gz UYZFHFIIWVZFNB-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN O=C(/C=C/C(=O)c1ccncc1)c1ccncc1 ZINC000039077017 350115185 /nfs/dbraw/zinc/11/51/85/350115185.db2.gz MPLAGUFMYYULLM-OWOJBTEDSA-N 0 0 238.246 2.098 10 0 BEAERN Cc1nc([C@H](C)NCc2cn[nH]c2)c(C)s1 ZINC000038006008 180052050 /nfs/dbraw/zinc/05/20/50/180052050.db2.gz OLHMQQOSGHEOFH-ZETCQYMHSA-N 0 0 236.344 2.334 10 0 BEAERN Cc1nc([C@H](N)c2cccc(Cl)c2)no1 ZINC000036762202 180053876 /nfs/dbraw/zinc/05/38/76/180053876.db2.gz UZQFOERGQUQMPV-SECBINFHSA-N 0 0 223.663 2.080 10 0 BEAERN Cc1nc2c(Cl)cccn2c1[C@@H](C)O ZINC000082695480 180064463 /nfs/dbraw/zinc/06/44/63/180064463.db2.gz XPLSAQSDOTVHIS-SSDOTTSWSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nc2c(cccc2OC[C@@H]2CO2)s1 ZINC000045236244 180065485 /nfs/dbraw/zinc/06/54/85/180065485.db2.gz DGXUENWMEDEVEG-QMMMGPOBSA-N 0 0 221.281 2.382 10 0 BEAERN CCS(=O)(=O)C[C@@H](C)Nc1cscc1C ZINC000132156537 191025666 /nfs/dbraw/zinc/02/56/66/191025666.db2.gz OVQFEOYQZYWRKG-SECBINFHSA-N 0 0 247.385 2.292 10 0 BEAERN Cc1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1 ZINC000009388452 180080888 /nfs/dbraw/zinc/08/08/88/180080888.db2.gz MORMPDRSXBWUMX-GFCCVEGCSA-N 0 0 246.266 2.254 10 0 BEAERN Cc1nc2cc([S@@](C)=O)ccc2s1 ZINC000045236247 180087833 /nfs/dbraw/zinc/08/78/33/180087833.db2.gz HSITZLZYYCYZDX-ZDUSSCGKSA-N 0 0 211.311 2.342 10 0 BEAERN CC[C@@H](c1ccc(Cl)cc1)S(N)(=O)=O ZINC000050350373 538056877 /nfs/dbraw/zinc/05/68/77/538056877.db2.gz DDHAHKGHCFZDIH-VIFPVBQESA-N 0 0 233.720 2.080 10 0 BEAERN Cc1nc2ccnc(Br)c2n1C ZINC000082360173 180106589 /nfs/dbraw/zinc/10/65/89/180106589.db2.gz WCULGIUHFJLXBA-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN C[C@H](C[C@H]1CCCO1)NC(=O)NC(C)(C)C ZINC000132738339 191035276 /nfs/dbraw/zinc/03/52/76/191035276.db2.gz CAAXTDRMYFZXGP-NXEZZACHSA-N 0 0 228.336 2.042 10 0 BEAERN CN(Cc1cscn1)c1ccnc(Cl)n1 ZINC000051850164 350162109 /nfs/dbraw/zinc/16/21/09/350162109.db2.gz GKHJSLUYZJKABR-UHFFFAOYSA-N 0 0 240.719 2.223 10 0 BEAERN Cc1ncc(C(=O)N[C@@H](C)CC2CC2)c(C)n1 ZINC000180761585 180131615 /nfs/dbraw/zinc/13/16/15/180131615.db2.gz QZANDOOTWQGYPW-QMMMGPOBSA-N 0 0 233.315 2.012 10 0 BEAERN CCCn1nc(-c2ccnn2C)cc1Cl ZINC000725257442 538064144 /nfs/dbraw/zinc/06/41/44/538064144.db2.gz PLFCNJDLRPDZSZ-UHFFFAOYSA-N 0 0 224.695 2.347 10 0 BEAERN Cc1nc2sc(C(C)C)nn2c1C=O ZINC000031974248 180115260 /nfs/dbraw/zinc/11/52/60/180115260.db2.gz XYXNTHWUXPYFQZ-UHFFFAOYSA-N 0 0 209.274 2.035 10 0 BEAERN Cc1nc[nH]c1CNc1ccc2n[nH]cc2c1 ZINC000054795162 180122356 /nfs/dbraw/zinc/12/23/56/180122356.db2.gz SRXAJJJWCXIARM-UHFFFAOYSA-N 0 0 227.271 2.207 10 0 BEAERN CCOC(=O)CSCc1cc(C)cc(O)c1 ZINC000098203856 191061862 /nfs/dbraw/zinc/06/18/62/191061862.db2.gz PTAQPPWCXLTFRZ-UHFFFAOYSA-N 0 0 240.324 2.497 10 0 BEAERN Cc1ncc(C(=O)N2CCS[C@@H](C)C2)s1 ZINC000171565088 180126698 /nfs/dbraw/zinc/12/66/98/180126698.db2.gz FIYCOKGEUCPXBV-ZETCQYMHSA-N 0 0 242.369 2.029 10 0 BEAERN C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(N)=S ZINC000221216175 350200390 /nfs/dbraw/zinc/20/03/90/350200390.db2.gz LUNIMLRNWIBNTC-IWSPIJDZSA-N 0 0 201.335 2.256 10 0 BEAERN Cc1ncc(CNc2c(C)nn(C)c2C)s1 ZINC000037797098 180160747 /nfs/dbraw/zinc/16/07/47/180160747.db2.gz CEZAIOZOBLUCPU-UHFFFAOYSA-N 0 0 236.344 2.414 10 0 BEAERN Cc1ncc(CS[C@@H](C)CO)c(C)c1O ZINC000001696627 180162436 /nfs/dbraw/zinc/16/24/36/180162436.db2.gz QFEHAQKYVWWSKY-ZETCQYMHSA-N 0 0 227.329 2.018 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000038095099 180163389 /nfs/dbraw/zinc/16/33/89/180163389.db2.gz HFHJCMSMDOUEQY-BXKDBHETSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1nccc(Oc2cccc(C)c2N)n1 ZINC000054936655 180206999 /nfs/dbraw/zinc/20/69/99/180206999.db2.gz GLJGCZWTPIJCSU-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1nccc(Oc2ccccc2N)n1 ZINC000054936621 180207426 /nfs/dbraw/zinc/20/74/26/180207426.db2.gz DNYXOWNYUXWYDE-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1nccc(Oc2cc(N)ccc2C)n1 ZINC000054936658 180207721 /nfs/dbraw/zinc/20/77/21/180207721.db2.gz GGGHZZMIOGBYMY-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)[C@@H]1C ZINC000222223798 350232531 /nfs/dbraw/zinc/23/25/31/350232531.db2.gz HOYCKZJFEHPZOY-JBLDHEPKSA-N 0 0 213.321 2.264 10 0 BEAERN O=C(OCc1ccccc1)[C@H]1CCCC1=O ZINC000033961898 350251477 /nfs/dbraw/zinc/25/14/77/350251477.db2.gz FSJLARHYALYBBD-NSHDSACASA-N 0 0 218.252 2.099 10 0 BEAERN CS(=O)(=O)C1(c2cccc(Cl)c2)CC1 ZINC000725258965 538078178 /nfs/dbraw/zinc/07/81/78/538078178.db2.gz JGJSWAJHDMUMOH-UHFFFAOYSA-N 0 0 230.716 2.374 10 0 BEAERN Brc1c[nH]nc1CC1CC1 ZINC000725261124 538085949 /nfs/dbraw/zinc/08/59/49/538085949.db2.gz NSHLVZUPRBUGCX-UHFFFAOYSA-N 0 0 201.067 2.125 10 0 BEAERN C[C@@H]1CC[C@H](C(C)(C)S(N)(=O)=O)C[C@@H]1C ZINC000725261544 538087059 /nfs/dbraw/zinc/08/70/59/538087059.db2.gz ZOFGRCQFNKJNHD-UTLUCORTSA-N 0 0 233.377 2.126 10 0 BEAERN OCc1csc(C2CCSCC2)n1 ZINC000223032382 350264036 /nfs/dbraw/zinc/26/40/36/350264036.db2.gz KXSKBUYEMXBULN-UHFFFAOYSA-N 0 0 215.343 2.246 10 0 BEAERN Cc1nccn1CCOc1ccc(C=O)cc1 ZINC000049330561 180261901 /nfs/dbraw/zinc/26/19/01/180261901.db2.gz PBQUQQJBWVCVKQ-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN CN(CC(F)(F)F)[C@@H]1CCCCCC1=O ZINC000037664121 350286255 /nfs/dbraw/zinc/28/62/55/350286255.db2.gz ZHOXUUORXMQHMV-MRVPVSSYSA-N 0 0 223.238 2.382 10 0 BEAERN CC(C)[C@H]1CCc2[nH]c(=NN)sc2C1 ZINC000054558114 350279030 /nfs/dbraw/zinc/27/90/30/350279030.db2.gz OYQOXUKWSQUXFY-ZETCQYMHSA-N 0 0 211.334 2.190 10 0 BEAERN Cc1ncn(Cc2nc(-c3ccoc3)no2)c1C ZINC000112980900 180289487 /nfs/dbraw/zinc/28/94/87/180289487.db2.gz VCSUJYSYIHZENI-UHFFFAOYSA-N 0 0 244.254 2.191 10 0 BEAERN CC(C)(C)C(=O)Cn1cc(Cl)cn1 ZINC000038053815 350300940 /nfs/dbraw/zinc/30/09/40/350300940.db2.gz RVHBZXRQGUPNHX-UHFFFAOYSA-N 0 0 200.669 2.152 10 0 BEAERN CSc1c(C[NH3+])cnc2ccccc21 ZINC000038063925 350301751 /nfs/dbraw/zinc/30/17/51/350301751.db2.gz WONRCHANWWLFEE-UHFFFAOYSA-N 0 0 204.298 2.415 10 0 BEAERN Cc1csc(CNCC(F)(F)F)n1 ZINC000038091610 350304535 /nfs/dbraw/zinc/30/45/35/350304535.db2.gz HPRFRHYMAKCOIJ-UHFFFAOYSA-N 0 0 210.224 2.103 10 0 BEAERN O=C(c1cnccn1)c1ccccc1Cl ZINC000038078368 350305116 /nfs/dbraw/zinc/30/51/16/350305116.db2.gz HLSKBSYUWHZSCP-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN Clc1ccc(NCC[C@@H]2CCCO2)nn1 ZINC000038097455 350305708 /nfs/dbraw/zinc/30/57/08/350305708.db2.gz CJSSDHOIUYKSDK-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN Cc1ncn(-c2cccc(F)c2N)c1C ZINC000051925450 180286403 /nfs/dbraw/zinc/28/64/03/180286403.db2.gz OISMQNKHVGJKGM-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN CC[C@](C)(Nc1cccc(C)c1)C(N)=O ZINC000037943497 350292980 /nfs/dbraw/zinc/29/29/80/350292980.db2.gz OOAKAEOEBHESFN-LBPRGKRZSA-N 0 0 206.289 2.061 10 0 BEAERN C[C@H](O[C@@H]1CCC[C@@H](O)C1)C(F)(F)F ZINC000225451797 350363267 /nfs/dbraw/zinc/36/32/67/350363267.db2.gz SWHUNYPNCWJXGH-XLPZGREQSA-N 0 0 212.211 2.257 10 0 BEAERN Cc1nn(-c2cc(N)ccn2)c(C)c1Cl ZINC000050585719 180326968 /nfs/dbraw/zinc/32/69/68/180326968.db2.gz FOUMAFSRTQVFOX-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1N ZINC000035728306 180328296 /nfs/dbraw/zinc/32/82/96/180328296.db2.gz RIWMYQYFCDYJEP-UHFFFAOYSA-N 0 0 223.226 2.350 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCC[C@H]1CCCO ZINC000069688465 350374744 /nfs/dbraw/zinc/37/47/44/350374744.db2.gz ARVMNPYBJPCQQL-NEPJUHHUSA-N 0 0 227.348 2.042 10 0 BEAERN Cc1nn(-c2ccccc2)c(N(C)C)c1C=O ZINC000001509480 180330333 /nfs/dbraw/zinc/33/03/33/180330333.db2.gz NJDSPCHTYKBODV-UHFFFAOYSA-N 0 0 229.283 2.059 10 0 BEAERN Cc1nn(-c2ccccc2Cl)c2[nH]nc(N)c12 ZINC000021950103 180331392 /nfs/dbraw/zinc/33/13/92/180331392.db2.gz BRTAREMMWWIMOP-UHFFFAOYSA-N 0 0 247.689 2.293 10 0 BEAERN CC(=O)C(C)(C)C(=O)Nc1ccccc1 ZINC000144434786 350397701 /nfs/dbraw/zinc/39/77/01/350397701.db2.gz IGXRHPQHOSWPQV-UHFFFAOYSA-N 0 0 205.257 2.240 10 0 BEAERN Cc1nn(C)c(C)c1NCc1cccnc1 ZINC000020134713 180343816 /nfs/dbraw/zinc/34/38/16/180343816.db2.gz WBJLDMJPTUIIPV-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN C[C@@H]1CCCCC[N@@H+]1[C@@H](C(=O)[O-])C1CC1 ZINC000226494765 350436694 /nfs/dbraw/zinc/43/66/94/350436694.db2.gz JIHFJSLRKGWQDF-MWLCHTKSSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1nn(C)c(Nc2ccccc2)c1N ZINC000036749112 180360163 /nfs/dbraw/zinc/36/01/63/180360163.db2.gz LGEDZHFVVAWWJF-UHFFFAOYSA-N 0 0 202.261 2.054 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccc(F)cc2)c1N ZINC000036131658 180351446 /nfs/dbraw/zinc/35/14/46/180351446.db2.gz KUTMLTXFTKWSDS-UHFFFAOYSA-N 0 0 248.305 2.086 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccccc2F)c1N ZINC000036131599 180351581 /nfs/dbraw/zinc/35/15/81/180351581.db2.gz MRCMHANOTULJDE-UHFFFAOYSA-N 0 0 248.305 2.086 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccsc2)c1N ZINC000036749412 180352821 /nfs/dbraw/zinc/35/28/21/180352821.db2.gz KVLJLRXLNKLCFG-UHFFFAOYSA-N 0 0 236.344 2.009 10 0 BEAERN Cc1nn(C)c(N(C)[C@H]2CCCC[C@@H]2C)c1N ZINC000042603236 180353600 /nfs/dbraw/zinc/35/36/00/180353600.db2.gz QJRKKVCXBOKFKX-ONGXEEELSA-N 0 0 236.363 2.326 10 0 BEAERN Cc1nn(C)c(N(CC(C)C)C(C)C)c1N ZINC000042579134 180353622 /nfs/dbraw/zinc/35/36/22/180353622.db2.gz VDBFPVYWXGNGOM-UHFFFAOYSA-N 0 0 224.352 2.182 10 0 BEAERN Cc1nn(C)c(N2CCCCCCC2)c1N ZINC000036748997 180354310 /nfs/dbraw/zinc/35/43/10/180354310.db2.gz DHHRCEMBCJDEAB-UHFFFAOYSA-N 0 0 222.336 2.081 10 0 BEAERN Cc1nn(C)c(N)c1C(=O)c1ccccc1Cl ZINC000029206552 180355014 /nfs/dbraw/zinc/35/50/14/180355014.db2.gz LNYHSCBGKWCAME-UHFFFAOYSA-N 0 0 249.701 2.195 10 0 BEAERN CCCc1c(N)n(CCC)nc1C(=O)OCC ZINC000725265366 538092299 /nfs/dbraw/zinc/09/22/99/538092299.db2.gz ODWRIZHHKRDKJI-UHFFFAOYSA-N 0 0 239.319 2.005 10 0 BEAERN COc1cc(F)cc2[nH]nc(Cl)c21 ZINC000014984168 350439346 /nfs/dbraw/zinc/43/93/46/350439346.db2.gz VHWQZSYERWARTM-UHFFFAOYSA-N 0 0 200.600 2.364 10 0 BEAERN Cc1nn(C)c(Oc2ccccc2F)c1C=O ZINC000020445322 180361701 /nfs/dbraw/zinc/36/17/01/180361701.db2.gz JUBCMALJMNMEKH-UHFFFAOYSA-N 0 0 234.230 2.472 10 0 BEAERN Cc1nn(C)c2c(N)nn(C3CCCCC3)c12 ZINC000045921342 180362198 /nfs/dbraw/zinc/36/21/98/180362198.db2.gz ZOLRADVZEWBCEO-UHFFFAOYSA-N 0 0 233.319 2.166 10 0 BEAERN Cc1nn(C)c2nc(-c3ccccc3)[nH]c(=O)c12 ZINC000261507010 180362898 /nfs/dbraw/zinc/36/28/98/180362898.db2.gz DLICNUMCJSUDDG-UHFFFAOYSA-N 0 0 240.266 2.044 10 0 BEAERN COC(=O)c1c(F)c(F)c(C)c(F)c1F ZINC000034309709 350466921 /nfs/dbraw/zinc/46/69/21/350466921.db2.gz RHPNCDOQOUOQOZ-UHFFFAOYSA-N 0 0 222.137 2.338 10 0 BEAERN CC(C)(C)CN1C(=S)N=NC1c1cnccn1 ZINC000725265508 538092650 /nfs/dbraw/zinc/09/26/50/538092650.db2.gz ARVIUQHEYWVJAT-UHFFFAOYSA-N 0 0 249.343 2.070 10 0 BEAERN COC(=O)c1ccnc2ccc(OC)cc21 ZINC000034226716 350464789 /nfs/dbraw/zinc/46/47/89/350464789.db2.gz UXVFOFFVXPRWBZ-UHFFFAOYSA-N 0 0 217.224 2.030 10 0 BEAERN COP(=O)(CC(=O)C(C)(C)C)OC ZINC000034266743 350465508 /nfs/dbraw/zinc/46/55/08/350465508.db2.gz KTJCJEABALSODG-UHFFFAOYSA-N 0 0 208.194 2.088 10 0 BEAERN O=c1c(Cl)nccn1-c1cccc(F)c1 ZINC000409422919 350474837 /nfs/dbraw/zinc/47/48/37/350474837.db2.gz MTAOBIRPGMCVDG-UHFFFAOYSA-N 0 0 224.622 2.025 10 0 BEAERN F[C@H]1CN[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000409422571 350475026 /nfs/dbraw/zinc/47/50/26/350475026.db2.gz GGEZZBAUZDCUFB-RNFRBKRXSA-N 0 0 239.275 2.171 10 0 BEAERN S=C1N=NC(c2cncnc2)N1C1CCCC1 ZINC000725265512 538093258 /nfs/dbraw/zinc/09/32/58/538093258.db2.gz CHKGFRDSYAEWLI-UHFFFAOYSA-N 0 0 247.327 2.139 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@@]12CCC[C@H]2C ZINC000252578967 538094446 /nfs/dbraw/zinc/09/44/46/538094446.db2.gz MOZKRANAIOFGIR-JLLWLGSASA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nn([C@@H]2CCCCC[C@@H]2O)c(N)c1Cl ZINC000054600341 180392167 /nfs/dbraw/zinc/39/21/67/180392167.db2.gz UJEXQNDFIIQHNX-BDAKNGLRSA-N 0 0 243.738 2.293 10 0 BEAERN Cc1nn([C@@H]2CCCCC[C@H]2O)c(C)c1C=O ZINC000054600421 180392456 /nfs/dbraw/zinc/39/24/56/180392456.db2.gz UMNFBNDKTFGYLU-CHWSQXEVSA-N 0 0 236.315 2.179 10 0 BEAERN Cc1nnc(-c2ccc(N)cc2)n1C(C)C ZINC000042030841 180396122 /nfs/dbraw/zinc/39/61/22/180396122.db2.gz GTCISYLJLBSSNW-UHFFFAOYSA-N 0 0 216.288 2.417 10 0 BEAERN COC(=O)c1coc2cc(OC)c(OC)cc12 ZINC000725266154 538093963 /nfs/dbraw/zinc/09/39/63/538093963.db2.gz QJYHPUYBWZQIIJ-UHFFFAOYSA-N 0 0 236.223 2.237 10 0 BEAERN Cc1nn2ccc(Br)cc2c1C=O ZINC000082328901 180394133 /nfs/dbraw/zinc/39/41/33/180394133.db2.gz ZXFGLALRGCCCFN-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN Cc1nn(CCCOc2ccccc2)cc1C=O ZINC000071151686 180387660 /nfs/dbraw/zinc/38/76/60/180387660.db2.gz MFHQUNXMJWXTSX-UHFFFAOYSA-N 0 0 244.294 2.473 10 0 BEAERN Cc1nn(C[C@@H](O)c2ccc(N)cc2)c(C)c1C ZINC000051324824 180390458 /nfs/dbraw/zinc/39/04/58/180390458.db2.gz JFCDIQQXDYHFNE-CQSZACIVSA-N 0 0 245.326 2.124 10 0 BEAERN COc1ccc([C@@H](C)NC(C)=O)cc1F ZINC000061241021 350505673 /nfs/dbraw/zinc/50/56/73/350505673.db2.gz BSWUKCZNTBJJHL-SSDOTTSWSA-N 0 0 211.236 2.031 10 0 BEAERN CCN1C(=S)N=NC1c1ccsc1 ZINC000228200332 350532828 /nfs/dbraw/zinc/53/28/28/350532828.db2.gz WXKKAFYUHFNEOS-UHFFFAOYSA-N 0 0 211.315 2.315 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1-c1ccccc1 ZINC000725266566 538095304 /nfs/dbraw/zinc/09/53/04/538095304.db2.gz OKDBTRVSJZAJEL-UHFFFAOYSA-N 0 0 245.282 2.427 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1C1(C)CCC1 ZINC000725266296 538095356 /nfs/dbraw/zinc/09/53/56/538095356.db2.gz FARHSVACBNYLMR-UHFFFAOYSA-N 0 0 237.303 2.202 10 0 BEAERN Cc1cncc(C(=O)c2cscn2)c1 ZINC000227949577 350521279 /nfs/dbraw/zinc/52/12/79/350521279.db2.gz DPZMFHVDNWBULW-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN Cc1csc2nc3c(n12)CSCC3 ZINC000228005427 350524382 /nfs/dbraw/zinc/52/43/82/350524382.db2.gz RWSFJNCYXPDRQN-UHFFFAOYSA-N 0 0 210.327 2.494 10 0 BEAERN CC[C@@H](Sc1ccc(F)c(F)c1)C(N)=O ZINC000061680084 350525435 /nfs/dbraw/zinc/52/54/35/350525435.db2.gz RLUWNGXPRVUZCR-SECBINFHSA-N 0 0 231.267 2.321 10 0 BEAERN CSc1cc(C(F)(F)F)cc(N)n1 ZINC000225956731 350568665 /nfs/dbraw/zinc/56/86/65/350568665.db2.gz ZXKJYFBRVDUFPU-UHFFFAOYSA-N 0 0 208.208 2.405 10 0 BEAERN Cc1nnc(COc2ccccc2N)n1C(C)C ZINC000104304228 180415619 /nfs/dbraw/zinc/41/56/19/180415619.db2.gz QBDOSDFRHMSBQQ-UHFFFAOYSA-N 0 0 246.314 2.329 10 0 BEAERN OCCCCOc1cccc(F)c1F ZINC000062611608 350547144 /nfs/dbraw/zinc/54/71/44/350547144.db2.gz XJNLAHYQGBPVFX-UHFFFAOYSA-N 0 0 202.200 2.116 10 0 BEAERN CC[C@@H](Nc1cn[nH]c(=O)c1Cl)C(C)C ZINC000066388078 350578641 /nfs/dbraw/zinc/57/86/41/350578641.db2.gz LHUJLASZWGAYDM-SSDOTTSWSA-N 0 0 229.711 2.270 10 0 BEAERN CC[N@@H+]1CCO[C@@H](c2ccccc2C(=O)[O-])CC1 ZINC000616593386 350580557 /nfs/dbraw/zinc/58/05/57/350580557.db2.gz JMIXGEMELSJSBR-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CCC[C@@H](CCCN[C@@H](CC)C(=O)OC)OC ZINC000725267009 538096555 /nfs/dbraw/zinc/09/65/55/538096555.db2.gz QBAACVBIZRRPMD-RYUDHWBXSA-N 0 0 245.363 2.123 10 0 BEAERN CC[N@@H+]1CCO[C@@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616593968 350584261 /nfs/dbraw/zinc/58/42/61/350584261.db2.gz NILRUVAKKBXJKF-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CC(C)(C)N1c2ccccc2CC[C@H]1C(N)=O ZINC000616594297 350593228 /nfs/dbraw/zinc/59/32/28/350593228.db2.gz PADQTGJQXOXIJI-LBPRGKRZSA-N 0 0 232.327 2.092 10 0 BEAERN CC(C)N1c2ccccc2CC[C@@H]1CO ZINC000616594861 350596836 /nfs/dbraw/zinc/59/68/36/350596836.db2.gz KZBRFQSJIXYKGE-GFCCVEGCSA-N 0 0 205.301 2.209 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H](CC)CC(F)F ZINC000725266633 538096769 /nfs/dbraw/zinc/09/67/69/538096769.db2.gz XCURYZHFDGZEBG-ZCFIWIBFSA-N 0 0 247.245 2.130 10 0 BEAERN Cc1noc(C)c1CCC(=O)N[C@H](C)C1CC1 ZINC000248380970 180466277 /nfs/dbraw/zinc/46/62/77/180466277.db2.gz RSHCBCQVJQRORL-MRVPVSSYSA-N 0 0 236.315 2.139 10 0 BEAERN COc1ccc2nc([C@H]3CCOC3)c(O)cc2c1 ZINC000725267411 538098239 /nfs/dbraw/zinc/09/82/39/538098239.db2.gz DOHNCTULJJBYTE-VIFPVBQESA-N 0 0 245.278 2.453 10 0 BEAERN C[C@@H](Nc1nncs1)c1cscn1 ZINC000232287597 350657266 /nfs/dbraw/zinc/65/72/66/350657266.db2.gz UIJPGKRMRGIAGI-RXMQYKEDSA-N 0 0 212.303 2.168 10 0 BEAERN COC1CC(Nc2cc(Cl)nnc2Cl)C1 ZINC000234751764 350703496 /nfs/dbraw/zinc/70/34/96/350703496.db2.gz MJHHKXKOGCWRRT-UHFFFAOYSA-N 0 0 248.113 2.373 10 0 BEAERN Nc1ccc2nc([C@@H]3CCOC3)c(O)cc2c1 ZINC000725267752 538099051 /nfs/dbraw/zinc/09/90/51/538099051.db2.gz VUWJLVGXUAQZJQ-MRVPVSSYSA-N 0 0 230.267 2.027 10 0 BEAERN CCCc1nc(Cl)c2c(n1)CCOC2 ZINC000233402298 350676348 /nfs/dbraw/zinc/67/63/48/350676348.db2.gz MVUYCPNXZLQHFY-UHFFFAOYSA-N 0 0 212.680 2.155 10 0 BEAERN CC[C@H]1OCC[C@H]1c1nc(Cl)ns1 ZINC000234125237 350691168 /nfs/dbraw/zinc/69/11/68/350691168.db2.gz DXFSGIIZRKJDGJ-PHDIDXHHSA-N 0 0 218.709 2.474 10 0 BEAERN C/C=C/C[C@@H](CO)Nc1nnc(CCC)s1 ZINC000302291255 191119452 /nfs/dbraw/zinc/11/94/52/191119452.db2.gz WTDAGKAWWUWCBQ-SGRBOOSSSA-N 0 0 241.360 2.230 10 0 BEAERN COc1cccc2cc(O)c([C@H]3CCOC3)nc21 ZINC000725267732 538099271 /nfs/dbraw/zinc/09/92/71/538099271.db2.gz UQXMBNPMQBSKQJ-JTQLQIEISA-N 0 0 245.278 2.453 10 0 BEAERN Cc1cc(=S)[nH]c(-c2cncs2)n1 ZINC000235833806 350724793 /nfs/dbraw/zinc/72/47/93/350724793.db2.gz KWUHDLQXGRTKNR-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Cc1cc(C)cc(-c2cc(=O)[nH]c(C)n2)c1 ZINC000235840250 350724995 /nfs/dbraw/zinc/72/49/95/350724995.db2.gz YBWBFRCPBDPINT-UHFFFAOYSA-N 0 0 214.268 2.362 10 0 BEAERN COC(C)(C)[C@H]1Nc2c(C)cccc2C[C@H]1O ZINC000725268050 538099487 /nfs/dbraw/zinc/09/94/87/538099487.db2.gz GWJUMZWIEGULJW-YPMHNXCESA-N 0 0 235.327 2.118 10 0 BEAERN O[C@@H](Cc1nccs1)c1ccccc1 ZINC000063037631 350787573 /nfs/dbraw/zinc/78/75/73/350787573.db2.gz VHHSGAORLNOTAZ-JTQLQIEISA-N 0 0 205.282 2.419 10 0 BEAERN CC(=O)N1CCC[C@H](c2ccc(N)cc2)CC1 ZINC000616602227 350790566 /nfs/dbraw/zinc/79/05/66/350790566.db2.gz YZVSWAKKTOXEPE-LBPRGKRZSA-N 0 0 232.327 2.385 10 0 BEAERN COc1cccc2nc(CC3CC3)c(NN)cc21 ZINC000725267942 538099335 /nfs/dbraw/zinc/09/93/35/538099335.db2.gz CTJKUIXUDQFCQF-UHFFFAOYSA-N 0 0 243.310 2.482 10 0 BEAERN CC(C)(C)N1CCCCC[C@@H]1S(C)(=O)=O ZINC000616606087 350796711 /nfs/dbraw/zinc/79/67/11/350796711.db2.gz YKVZBIMUVZQGQI-JTQLQIEISA-N 0 0 233.377 2.032 10 0 BEAERN CCOC(=O)N1CCC[C@H]1c1ccc(CO)cc1 ZINC000616607408 350801029 /nfs/dbraw/zinc/80/10/29/350801029.db2.gz QHQKJPDDHATRLM-ZDUSSCGKSA-N 0 0 249.310 2.472 10 0 BEAERN COC(=O)N1CCC[C@@H](OC(F)(F)F)CC1 ZINC000616609631 350803680 /nfs/dbraw/zinc/80/36/80/350803680.db2.gz FGKHSXLKHSESQX-SSDOTTSWSA-N 0 0 241.209 2.144 10 0 BEAERN NC(=O)N1CC[C@H](c2ccc3cccnc3c2)C1 ZINC000616610775 350806907 /nfs/dbraw/zinc/80/69/07/350806907.db2.gz CYHNZVJKNQFYAW-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN Cn1cnc([C@@H](O)c2cc(Cl)cs2)c1 ZINC000306677349 350831175 /nfs/dbraw/zinc/83/11/75/350831175.db2.gz YPIWANDTYZTXSZ-SECBINFHSA-N 0 0 228.704 2.217 10 0 BEAERN CO[C@H]1CCC[C@@H]1Oc1cccnc1F ZINC000306678780 350833473 /nfs/dbraw/zinc/83/34/73/350833473.db2.gz HEKMHYAFTYJGPQ-IUCAKERBSA-N 0 0 211.236 2.167 10 0 BEAERN N#CCCCCCNC1(C#N)CCCC1 ZINC000222280786 350836060 /nfs/dbraw/zinc/83/60/60/350836060.db2.gz VXBVFQLFMJSEMZ-UHFFFAOYSA-N 0 0 205.305 2.496 10 0 BEAERN Cc1csc([C@H](O)Cc2ccoc2)n1 ZINC000159518679 350836076 /nfs/dbraw/zinc/83/60/76/350836076.db2.gz GBOVMLJYBRAOPR-SECBINFHSA-N 0 0 209.270 2.321 10 0 BEAERN COc1cccc2c1N[C@H](C(C)(C)C)[C@H](O)C2 ZINC000725267933 538099623 /nfs/dbraw/zinc/09/96/23/538099623.db2.gz CIZNPIONEJULQT-MFKMUULPSA-N 0 0 235.327 2.439 10 0 BEAERN CC(=O)c1nc(N(C)C(C)C)sc1C ZINC000306684178 350842632 /nfs/dbraw/zinc/84/26/32/350842632.db2.gz YUVPZQSGEOBXAY-UHFFFAOYSA-N 0 0 212.318 2.499 10 0 BEAERN Cc1cnn(-c2cc(Cl)nc(Cl)n2)c1 ZINC000306689787 350844028 /nfs/dbraw/zinc/84/40/28/350844028.db2.gz OSBUDRHNWMRGKU-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN Nc1cn(Cc2ccccc2)nc1[C@H]1CCCO1 ZINC000306703815 350851368 /nfs/dbraw/zinc/85/13/68/350851368.db2.gz BMZOKAHEESDEKO-CYBMUJFWSA-N 0 0 243.310 2.365 10 0 BEAERN C[C@@]1([C@H]2CC(=O)CCO2)CCCS1 ZINC000306704945 350853467 /nfs/dbraw/zinc/85/34/67/350853467.db2.gz CSKGNJWIMXQSNR-ZJUUUORDSA-N 0 0 200.303 2.020 10 0 BEAERN C[C@@H](O)c1cc2c(cc1Br)OCC2 ZINC000306675351 350827109 /nfs/dbraw/zinc/82/71/09/350827109.db2.gz SIHKBQOZUYQMHD-ZCFIWIBFSA-N 0 0 243.100 2.437 10 0 BEAERN CC(=O)c1ccc(N2CC(C)(C)C2)nc1 ZINC000306731497 350900667 /nfs/dbraw/zinc/90/06/67/350900667.db2.gz GKVPNKNHQAEHMF-UHFFFAOYSA-N 0 0 204.273 2.130 10 0 BEAERN C[C@@H](Nc1cc(Cl)ncn1)C(F)F ZINC000306732537 350900945 /nfs/dbraw/zinc/90/09/45/350900945.db2.gz HHAREIABPHZWJI-SCSAIBSYSA-N 0 0 207.611 2.196 10 0 BEAERN CC1(C)CC[C@]1([NH2+]C1CCCC1)C(=O)[O-] ZINC000306734315 350905027 /nfs/dbraw/zinc/90/50/27/350905027.db2.gz USENQDOWTDDZLO-LBPRGKRZSA-N 0 0 211.305 2.162 10 0 BEAERN Nc1n[nH]cc1C(=O)Cc1csc(Cl)c1 ZINC000306737914 350909326 /nfs/dbraw/zinc/90/93/26/350909326.db2.gz ZSZFALBQRQLCLW-UHFFFAOYSA-N 0 0 241.703 2.132 10 0 BEAERN O[C@@]1(c2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC000252582258 350913023 /nfs/dbraw/zinc/91/30/23/350913023.db2.gz UWFRZUQZUBSMEN-JZYVYDRUSA-N 0 0 209.676 2.353 10 0 BEAERN Clc1n[nH]c([C@H]2Cc3ccccc3O2)n1 ZINC000128958824 350918656 /nfs/dbraw/zinc/91/86/56/350918656.db2.gz PHKVPNYZRZYJAU-MRVPVSSYSA-N 0 0 221.647 2.134 10 0 BEAERN CCOC(=O)N1CCC(c2cnoc2)CC1 ZINC000616619020 350925594 /nfs/dbraw/zinc/92/55/94/350925594.db2.gz FOTBZNUDIKGZIT-UHFFFAOYSA-N 0 0 224.260 2.011 10 0 BEAERN CC(C)[NH+]1CCC(OC(F)(F)F)CC1 ZINC000616619339 350926727 /nfs/dbraw/zinc/92/67/27/350926727.db2.gz KGIZMJDRZLHUAQ-UHFFFAOYSA-N 0 0 211.227 2.396 10 0 BEAERN O=C1NCCCN1c1ccsc1Cl ZINC000306740748 350930714 /nfs/dbraw/zinc/93/07/14/350930714.db2.gz CPJZCNWRJWGJMQ-UHFFFAOYSA-N 0 0 216.693 2.321 10 0 BEAERN COC(=O)N1CCC[C@H](c2cccc(CO)c2)C1 ZINC000616617610 350870067 /nfs/dbraw/zinc/87/00/67/350870067.db2.gz WYSPSKOFKUKRMM-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccccc2CO)C1 ZINC000616617613 350870107 /nfs/dbraw/zinc/87/01/07/350870107.db2.gz XACBSWUXQBXVJC-NSHDSACASA-N 0 0 249.310 2.125 10 0 BEAERN Cc1cc(C(=O)[C@@H](N)c2cccs2)sn1 ZINC000306712442 350873510 /nfs/dbraw/zinc/87/35/10/350873510.db2.gz UDXOOMBERNFTNV-VIFPVBQESA-N 0 0 238.337 2.396 10 0 BEAERN CCC1(c2nnc(Br)o2)CC1 ZINC000306718515 350878521 /nfs/dbraw/zinc/87/85/21/350878521.db2.gz WMLAPOHVOOIGBQ-UHFFFAOYSA-N 0 0 217.066 2.274 10 0 BEAERN CCCc1cc(Cl)nc(-c2cn[nH]c2)n1 ZINC000306721703 350888721 /nfs/dbraw/zinc/88/87/21/350888721.db2.gz FECRLDIJEZCLNJ-UHFFFAOYSA-N 0 0 222.679 2.473 10 0 BEAERN C[C@@H](CO)Nc1cc(F)ccc1Br ZINC000306726823 350897155 /nfs/dbraw/zinc/89/71/55/350897155.db2.gz AVECHQXABFCWHK-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN C[C@H](O)c1ccn(Cc2cncs2)c1 ZINC000159654218 350958140 /nfs/dbraw/zinc/95/81/40/350958140.db2.gz IBNPXAXQKHRTDL-QMMMGPOBSA-N 0 0 208.286 2.046 10 0 BEAERN C[C@@H]1CC[C@]12C(N)=NC(=O)N2Cc1ccccc1 ZINC000306756317 350969659 /nfs/dbraw/zinc/96/96/59/350969659.db2.gz QAJSHYIVFOYNEL-QMTHXVAHSA-N 0 0 243.310 2.148 10 0 BEAERN O=c1ccn(C2CCCCC2)c(=S)[nH]1 ZINC000052312665 350979524 /nfs/dbraw/zinc/97/95/24/350979524.db2.gz MXQOKTSVLLVOEQ-UHFFFAOYSA-N 0 0 210.302 2.411 10 0 BEAERN Cc1cc(Sc2cc(Cl)ncn2)n(C)n1 ZINC000052310333 350979539 /nfs/dbraw/zinc/97/95/39/350979539.db2.gz WNEIIKUMDYOMKE-UHFFFAOYSA-N 0 0 240.719 2.323 10 0 BEAERN C[C@H]1CCC[C@](O)(c2cnc(N)s2)C1 ZINC000159792082 350997466 /nfs/dbraw/zinc/99/74/66/350997466.db2.gz WQFPLGSKUUCNLC-OIBJUYFYSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@@H]1CCCC[C@@]1(O)c1cnc(N)s1 ZINC000159793784 350998011 /nfs/dbraw/zinc/99/80/11/350998011.db2.gz AAWCPEOQDSSRSW-XCBNKYQSSA-N 0 0 212.318 2.123 10 0 BEAERN Nc1ncc([C@H](O)[C@@H]2CC=CCC2)s1 ZINC000159823976 351009715 /nfs/dbraw/zinc/00/97/15/351009715.db2.gz SAMMIMSJDBKDPR-VXNVDRBHSA-N 0 0 210.302 2.115 10 0 BEAERN O=Cc1cc(OC(F)F)cc(Cl)n1 ZINC000306770534 351003581 /nfs/dbraw/zinc/00/35/81/351003581.db2.gz QPVUTGKQAQXWGG-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN Nc1cnccc1SCc1cncs1 ZINC000159624903 350955702 /nfs/dbraw/zinc/95/57/02/350955702.db2.gz YFYAMCTWOSXHTJ-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN CC[C@@H]1CC[C@@H](O)[C@@H](CC(C)(C)O)C1 ZINC000222425863 350956265 /nfs/dbraw/zinc/95/62/65/350956265.db2.gz QGUOBZDAVODRCD-GMTAPVOTSA-N 0 0 200.322 2.335 10 0 BEAERN CCOCC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000128998236 350956760 /nfs/dbraw/zinc/95/67/60/350956760.db2.gz YEDPMTQPCRTXSC-CYBMUJFWSA-N 0 0 249.354 2.421 10 0 BEAERN Cc1cc(F)ccc1O[C@@H](C)C(N)=S ZINC000129244014 351016227 /nfs/dbraw/zinc/01/62/27/351016227.db2.gz HMRQZWXWBLTVTQ-ZETCQYMHSA-N 0 0 213.277 2.188 10 0 BEAERN C[C@H](CO)Sc1ccncc1Br ZINC000159881600 351021770 /nfs/dbraw/zinc/02/17/70/351021770.db2.gz BANJXXVHJYFKIF-ZCFIWIBFSA-N 0 0 248.145 2.317 10 0 BEAERN C[C@@H](CO)Sc1ccncc1Br ZINC000159881455 351021961 /nfs/dbraw/zinc/02/19/61/351021961.db2.gz BANJXXVHJYFKIF-LURJTMIESA-N 0 0 248.145 2.317 10 0 BEAERN COc1cc(C)c2nc(Cl)[nH]c(=O)c2c1 ZINC000129306860 351038670 /nfs/dbraw/zinc/03/86/70/351038670.db2.gz UHBWUJYQROHOHC-UHFFFAOYSA-N 0 0 224.647 2.306 10 0 BEAERN Cc1cnc(CNc2ccc(Cl)nn2)o1 ZINC000231660650 351052396 /nfs/dbraw/zinc/05/23/96/351052396.db2.gz KMKUALGNBFOFHM-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN CCC[S@](=O)Nc1ccc(O)cc1C ZINC000306809399 351062047 /nfs/dbraw/zinc/06/20/47/351062047.db2.gz RWARUMCUALSYIA-AWEZNQCLSA-N 0 0 213.302 2.186 10 0 BEAERN COC(=O)N1CCC[C@H](c2cocn2)CC1 ZINC000616630286 351102392 /nfs/dbraw/zinc/10/23/92/351102392.db2.gz SFUCYXZRWUDIDT-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cncc2ccccc21 ZINC000616630806 351103346 /nfs/dbraw/zinc/10/33/46/351103346.db2.gz BSIKODLDCTXHQK-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cccc2cnccc21 ZINC000616632171 351111078 /nfs/dbraw/zinc/11/10/78/351111078.db2.gz IULMDZPBFVOJRH-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616633281 351114484 /nfs/dbraw/zinc/11/44/84/351114484.db2.gz OCGXKMCOJXELMI-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN CCN1CCOC[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000616636094 351123112 /nfs/dbraw/zinc/12/31/12/351123112.db2.gz ALHAGZWUUTYXEX-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN C[C@@H]1CC[C@]1([NH2+]C1CCCCC1)C(=O)[O-] ZINC000306811497 351079316 /nfs/dbraw/zinc/07/93/16/351079316.db2.gz XBBFJZYJCCKWBS-BXKDBHETSA-N 0 0 211.305 2.162 10 0 BEAERN C[C@H]1CC[C@@]1([NH2+]C1CCCCC1)C(=O)[O-] ZINC000306811498 351079320 /nfs/dbraw/zinc/07/93/20/351079320.db2.gz XBBFJZYJCCKWBS-CABZTGNLSA-N 0 0 211.305 2.162 10 0 BEAERN Cc1cocc1C(=O)c1ccc(F)cn1 ZINC000306811891 351080236 /nfs/dbraw/zinc/08/02/36/351080236.db2.gz XTYSIQIPOJDXNO-UHFFFAOYSA-N 0 0 205.188 2.353 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1c1ncc[nH]1 ZINC000616622874 351087623 /nfs/dbraw/zinc/08/76/23/351087623.db2.gz JNYZEBGZMXVRCX-SNVBAGLBSA-N 0 0 237.303 2.483 10 0 BEAERN COC(=O)N1CCCCC[C@H]1OC(F)(F)F ZINC000616622889 351087638 /nfs/dbraw/zinc/08/76/38/351087638.db2.gz HKOCHVSXFVKZBI-SSDOTTSWSA-N 0 0 241.209 2.491 10 0 BEAERN CNc1cccc([C@H]2CCCCN(C(N)=O)C2)c1 ZINC000616627491 351095962 /nfs/dbraw/zinc/09/59/62/351095962.db2.gz IDBXPXPRXMHLGU-LBPRGKRZSA-N 0 0 247.342 2.377 10 0 BEAERN O=c1cc[nH]n1-c1ccccc1Br ZINC000159941279 351125366 /nfs/dbraw/zinc/12/53/66/351125366.db2.gz RIKPXWZIGNMRHS-UHFFFAOYSA-N 0 0 239.072 2.340 10 0 BEAERN COC(=O)N1CCCC[C@H](c2ccon2)C1 ZINC000616628170 351097472 /nfs/dbraw/zinc/09/74/72/351097472.db2.gz KXONGSSIYZIQIM-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN COC(=O)N1CCC[C@H](C(F)F)CC1 ZINC000616629280 351100008 /nfs/dbraw/zinc/10/00/08/351100008.db2.gz NRXSSIGJJGHESM-ZETCQYMHSA-N 0 0 207.220 2.120 10 0 BEAERN c1nocc1[C@H]1COCCN1Cc1ccccc1 ZINC000616639886 351146026 /nfs/dbraw/zinc/14/60/26/351146026.db2.gz RWHCJZAWYOYDKL-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN CCN1CCOC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616641118 351147272 /nfs/dbraw/zinc/14/72/72/351147272.db2.gz ALHAGZWUUTYXEX-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CCN1CCOC[C@H]1c1cc2ccccc2nn1 ZINC000616641238 351147788 /nfs/dbraw/zinc/14/77/88/351147788.db2.gz GIVZKSVOMPMTJD-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CC[C@@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000306837693 351149183 /nfs/dbraw/zinc/14/91/83/351149183.db2.gz WHQYEAYIFGJQQM-CQSZACIVSA-N 0 0 249.310 2.482 10 0 BEAERN CN1CCO[C@H](c2cnc3ccccc3c2)C1 ZINC000616643465 351156685 /nfs/dbraw/zinc/15/66/85/351156685.db2.gz OEPBGDVWFWLXDN-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cn[nH]c2)C1 ZINC000616655337 351192725 /nfs/dbraw/zinc/19/27/25/351192725.db2.gz UTYUXTXNZZUFBO-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2c[nH]cn2)C1 ZINC000616655500 351192775 /nfs/dbraw/zinc/19/27/75/351192775.db2.gz XIYNRXFYCLSGNY-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN CC[N@@H+]1CCCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616650090 351173525 /nfs/dbraw/zinc/17/35/25/351173525.db2.gz SSJLBKOVFOOEDT-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2ccncc2)C1 ZINC000616652959 351187322 /nfs/dbraw/zinc/18/73/22/351187322.db2.gz KZRARGFDOCUFFY-GFCCVEGCSA-N 0 0 234.299 2.418 10 0 BEAERN COc1ccc([C@@H]2CN(C(C)=O)CCCO2)cc1 ZINC000616651717 351189106 /nfs/dbraw/zinc/18/91/06/351189106.db2.gz WQVPQZFWTMDWRV-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CC(C)(C)N1CCOC[C@@H]1c1ccncc1 ZINC000616637799 351134264 /nfs/dbraw/zinc/13/42/64/351134264.db2.gz PWJHYOWOSWPGKC-GFCCVEGCSA-N 0 0 220.316 2.253 10 0 BEAERN CCn1c(Cl)nc2cccc(C)c2c1=O ZINC000129341506 351139112 /nfs/dbraw/zinc/13/91/12/351139112.db2.gz KDOGBLFLLIBMDM-UHFFFAOYSA-N 0 0 222.675 2.378 10 0 BEAERN COCC(=O)CSCc1cccc(C)c1 ZINC000231698634 351142271 /nfs/dbraw/zinc/14/22/71/351142271.db2.gz VRZZAHVSTUTGCY-UHFFFAOYSA-N 0 0 224.325 2.444 10 0 BEAERN c1coc([C@@H]2COCCN2Cc2ccccc2)n1 ZINC000616639702 351143398 /nfs/dbraw/zinc/14/33/98/351143398.db2.gz SITZCJRAWBHYOG-ZDUSSCGKSA-N 0 0 244.294 2.248 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@H]1c1cnno1 ZINC000616669587 351229636 /nfs/dbraw/zinc/22/96/36/351229636.db2.gz KHADFEVFZDGGCI-LBPRGKRZSA-N 0 0 243.266 2.110 10 0 BEAERN COCc1csc([C@@H]2CSCCO2)n1 ZINC000231721552 351232368 /nfs/dbraw/zinc/23/23/68/351232368.db2.gz VGTWZUKKRUSXGN-QMMMGPOBSA-N 0 0 231.342 2.094 10 0 BEAERN Nc1ccc([C@H]2CNc3ccccc3C2)cn1 ZINC000616671424 351233585 /nfs/dbraw/zinc/23/35/85/351233585.db2.gz UJHFTVOTJHXKFB-GFCCVEGCSA-N 0 0 225.295 2.246 10 0 BEAERN CN1C[C@@H](c2cccnc2N)Cc2ccccc21 ZINC000616672366 351235255 /nfs/dbraw/zinc/23/52/55/351235255.db2.gz JCJNAFQLLIZZEA-LBPRGKRZSA-N 0 0 239.322 2.440 10 0 BEAERN CN1C[C@H](c2cnoc2)Cc2ccccc21 ZINC000616672230 351235386 /nfs/dbraw/zinc/23/53/86/351235386.db2.gz YCGLUEOPJBIWOM-LLVKDONJSA-N 0 0 214.268 2.451 10 0 BEAERN CCOC(=O)N1C[C@@H](OC)Cc2ccccc21 ZINC000616672457 351236029 /nfs/dbraw/zinc/23/60/29/351236029.db2.gz UXTHGIFIHJREJO-NSHDSACASA-N 0 0 235.283 2.221 10 0 BEAERN CC[C@@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616671782 351236501 /nfs/dbraw/zinc/23/65/01/351236501.db2.gz CMDWHBGQWTVIJR-SECBINFHSA-N 0 0 204.273 2.154 10 0 BEAERN NC(=O)N1C[C@H](C(F)F)Cc2ccccc21 ZINC000616673385 351237423 /nfs/dbraw/zinc/23/74/23/351237423.db2.gz MVSSCPBZWAWSJF-MRVPVSSYSA-N 0 0 226.226 2.009 10 0 BEAERN COC(=O)[C@H]1Cc2ccccc2N(C(C)C)C1 ZINC000616673909 351237941 /nfs/dbraw/zinc/23/79/41/351237941.db2.gz UNAJZNDFZLOCJM-LBPRGKRZSA-N 0 0 233.311 2.247 10 0 BEAERN CN1CC[C@H](c2ccc(N)nc2)c2ccccc21 ZINC000616674188 351238048 /nfs/dbraw/zinc/23/80/48/351238048.db2.gz BGORTGWSZKOSRV-GFCCVEGCSA-N 0 0 239.322 2.466 10 0 BEAERN c1ccc2c(c1)NCC[C@@H]2c1ccncn1 ZINC000616674411 351238578 /nfs/dbraw/zinc/23/85/78/351238578.db2.gz GWYFATZDUTWZLC-NSHDSACASA-N 0 0 211.268 2.424 10 0 BEAERN OCCN1CC[C@@H](c2cnoc2)c2ccccc21 ZINC000616673315 351240479 /nfs/dbraw/zinc/24/04/79/351240479.db2.gz XNZDYPNKOXFASO-LBPRGKRZSA-N 0 0 244.294 2.009 10 0 BEAERN CCN1CC[C@H](c2nnc[nH]2)c2ccccc21 ZINC000616676462 351241103 /nfs/dbraw/zinc/24/11/03/351241103.db2.gz WDVOKNQEXYKVRW-NSHDSACASA-N 0 0 228.299 2.167 10 0 BEAERN c1ccc2c(c1)NCC[C@H]2c1ccnnc1 ZINC000616674917 351242214 /nfs/dbraw/zinc/24/22/14/351242214.db2.gz KUTKCQXYLGHULX-NSHDSACASA-N 0 0 211.268 2.424 10 0 BEAERN NC(=O)N1CC[C@H](C(F)F)c2ccccc21 ZINC000616675084 351242310 /nfs/dbraw/zinc/24/23/10/351242310.db2.gz HQYQQHAOZDOXER-QMMMGPOBSA-N 0 0 226.226 2.324 10 0 BEAERN CN1CC[C@H](c2cnno2)c2ccccc21 ZINC000616674964 351242318 /nfs/dbraw/zinc/24/23/18/351242318.db2.gz GTAZKYWZXCXOMZ-JTQLQIEISA-N 0 0 215.256 2.041 10 0 BEAERN COC(=O)N1CC[C@@H](C(C)=O)c2ccccc21 ZINC000616675692 351243130 /nfs/dbraw/zinc/24/31/30/351243130.db2.gz OUWRQVQQSXETML-JTQLQIEISA-N 0 0 233.267 2.336 10 0 BEAERN COC(=O)N1CC[C@H](C(C)=O)c2ccccc21 ZINC000616675296 351243134 /nfs/dbraw/zinc/24/31/34/351243134.db2.gz OUWRQVQQSXETML-SNVBAGLBSA-N 0 0 233.267 2.336 10 0 BEAERN CCOC(=O)N1CCc2ccccc2[C@@H]1CCO ZINC000616677504 351244403 /nfs/dbraw/zinc/24/44/03/351244403.db2.gz PYYZPDOTAXPQLA-ZDUSSCGKSA-N 0 0 249.310 2.125 10 0 BEAERN CCN1CCc2ccccc2[C@@H]1c1ncc[nH]1 ZINC000616677391 351244453 /nfs/dbraw/zinc/24/44/53/351244453.db2.gz MMLUURGVLJCTGD-CYBMUJFWSA-N 0 0 227.311 2.377 10 0 BEAERN CN1C[C@@H](c2cnoc2)Nc2ccccc21 ZINC000616680914 351248114 /nfs/dbraw/zinc/24/81/14/351248114.db2.gz IUIOAXLWKNVCRT-NSHDSACASA-N 0 0 215.256 2.278 10 0 BEAERN NC(=O)N1CCc2ccccc2[C@H]1C(F)(F)F ZINC000616681054 351248665 /nfs/dbraw/zinc/24/86/65/351248665.db2.gz UFATXQOKAMEQKR-VIFPVBQESA-N 0 0 244.216 2.227 10 0 BEAERN CN1C[C@@H](c2ccno2)Nc2ccccc21 ZINC000616681002 351248696 /nfs/dbraw/zinc/24/86/96/351248696.db2.gz LRBYDUDEZLGZGZ-JTQLQIEISA-N 0 0 215.256 2.278 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1c1ncco1 ZINC000616681102 351248753 /nfs/dbraw/zinc/24/87/53/351248753.db2.gz UQRSPFXFFBJRPF-ZDUSSCGKSA-N 0 0 242.278 2.169 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ccncn1 ZINC000616682170 351252802 /nfs/dbraw/zinc/25/28/02/351252802.db2.gz DSSNNMXFUHZTHW-ZDUSSCGKSA-N 0 0 226.283 2.080 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1cn[nH]c1 ZINC000616682134 351252898 /nfs/dbraw/zinc/25/28/98/351252898.db2.gz BMZCASOWNKHTMN-ZDUSSCGKSA-N 0 0 228.299 2.403 10 0 BEAERN CN1c2ccccc2NC[C@H]1OC(F)(F)F ZINC000616683258 351254050 /nfs/dbraw/zinc/25/40/50/351254050.db2.gz FIRGYCVSLNMQKV-SECBINFHSA-N 0 0 232.205 2.411 10 0 BEAERN CN1C[C@H](c2cccnc2N)Nc2ccccc21 ZINC000616683261 351254126 /nfs/dbraw/zinc/25/41/26/351254126.db2.gz RHVJTVRVRKBYEN-GFCCVEGCSA-N 0 0 240.310 2.267 10 0 BEAERN CN1C[C@H](c2cnco2)Nc2ccccc21 ZINC000616684383 351255083 /nfs/dbraw/zinc/25/50/83/351255083.db2.gz YZOIHWJVHBXNIE-SNVBAGLBSA-N 0 0 215.256 2.278 10 0 BEAERN CC[C@H]1CNc2ccccc2N1C(C)=O ZINC000616685963 351255724 /nfs/dbraw/zinc/25/57/24/351255724.db2.gz XTXVMBLQTARQTA-JTQLQIEISA-N 0 0 204.273 2.244 10 0 BEAERN CC[C@H]1CN(C(=O)OC)c2ccccc2N1 ZINC000616684872 351255752 /nfs/dbraw/zinc/25/57/52/351255752.db2.gz LOGZBZRWDUYVHT-VIFPVBQESA-N 0 0 220.272 2.464 10 0 BEAERN CC[C@@H]1CN(C(=O)OC)c2ccccc2N1 ZINC000616685585 351257534 /nfs/dbraw/zinc/25/75/34/351257534.db2.gz LOGZBZRWDUYVHT-SECBINFHSA-N 0 0 220.272 2.464 10 0 BEAERN C[C@@H](CO)Nc1cc(Cl)ccc1F ZINC000306868192 351258679 /nfs/dbraw/zinc/25/86/79/351258679.db2.gz QRDDITZHQFUCIQ-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN CC(C)[C@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616689729 351259634 /nfs/dbraw/zinc/25/96/34/351259634.db2.gz LYFOOSKSBWAIDI-NSHDSACASA-N 0 0 218.300 2.400 10 0 BEAERN F[C@@H]1CCOCCN1Cc1ccccc1 ZINC000616659456 351207108 /nfs/dbraw/zinc/20/71/08/351207108.db2.gz NFDXGEZHZWMOQH-LBPRGKRZSA-N 0 0 209.264 2.205 10 0 BEAERN COc1ccccc1[C@H]1CCN(C(C)=O)CCO1 ZINC000616666134 351225474 /nfs/dbraw/zinc/22/54/74/351225474.db2.gz IBWRKSHHDFGQPI-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CNc1ccccc1[C@H]1CCN(C(C)=O)CCO1 ZINC000616666407 351226703 /nfs/dbraw/zinc/22/67/03/351226703.db2.gz RJKVJWXKBDQMRO-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN c1cc([C@H]2CNc3ccccc3C2)on1 ZINC000616668660 351227319 /nfs/dbraw/zinc/22/73/19/351227319.db2.gz DYJVAXFCZWYZPH-SNVBAGLBSA-N 0 0 200.241 2.426 10 0 BEAERN O=c1ccc(F)cn1Cc1cccs1 ZINC000306889648 351299057 /nfs/dbraw/zinc/29/90/57/351299057.db2.gz XOFKMGLHGPBKPC-UHFFFAOYSA-N 0 0 209.245 2.097 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]CC12CCCCCCC2 ZINC000068949617 351301936 /nfs/dbraw/zinc/30/19/36/351301936.db2.gz WHRKVMWYLRDSHA-SNVBAGLBSA-N 0 0 211.305 2.021 10 0 BEAERN CCC1(n2c(C)nnc2Cl)CCOCC1 ZINC000306890847 351303452 /nfs/dbraw/zinc/30/34/52/351303452.db2.gz ZLPDHUPFDFWSMF-UHFFFAOYSA-N 0 0 229.711 2.156 10 0 BEAERN Nc1cc(O)c(F)c(OC(F)(F)F)c1 ZINC000306899002 351310952 /nfs/dbraw/zinc/31/09/52/351310952.db2.gz YTFGEMWDBMQKFK-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN O[C@@H](c1occc1Br)C1CC1 ZINC000068981435 351312240 /nfs/dbraw/zinc/31/22/40/351312240.db2.gz FOWLTMNHULXPLG-SSDOTTSWSA-N 0 0 217.062 2.486 10 0 BEAERN O=C(c1cccnc1)C(F)(F)C(F)(F)F ZINC000228758729 351319898 /nfs/dbraw/zinc/31/98/98/351319898.db2.gz NVTLWUWUAJYISE-UHFFFAOYSA-N 0 0 225.116 2.462 10 0 BEAERN COc1cc(F)c(C(F)(F)F)cc1N ZINC000168173542 351331208 /nfs/dbraw/zinc/33/12/08/351331208.db2.gz QQOSPNFMSMFZQB-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC[C@@H](Nc1nc(C)cs1)[C@H](C)O ZINC000306879902 351271386 /nfs/dbraw/zinc/27/13/86/351271386.db2.gz KBPWFISQCWCTBW-JGVFFNPUSA-N 0 0 200.307 2.023 10 0 BEAERN Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000631126900 351377856 /nfs/dbraw/zinc/37/78/56/351377856.db2.gz NCNSVACMGGRYLP-ZSBIGDGJSA-N 0 0 238.331 2.276 10 0 BEAERN C=C(Cl)C(=O)Nc1ccc(Cl)nc1 ZINC000306977902 351397210 /nfs/dbraw/zinc/39/72/10/351397210.db2.gz DZICEFDLYDVAPT-UHFFFAOYSA-N 0 0 217.055 2.426 10 0 BEAERN C[C@@H]1[C@@H](C)CCN1C1N=NC(=S)S1 ZINC000306982068 351399995 /nfs/dbraw/zinc/39/99/95/351399995.db2.gz QYTZCPACSPGUEQ-NTSWFWBYSA-N 0 0 215.347 2.062 10 0 BEAERN C[C@@H]1CCN(C(=O)C2(Br)CCC2)C1 ZINC000306928113 351344157 /nfs/dbraw/zinc/34/41/57/351344157.db2.gz WWGLGINBWDTLCK-MRVPVSSYSA-N 0 0 246.148 2.172 10 0 BEAERN COC(=O)c1ccc(Cl)nc1C1CC1 ZINC000168238601 351348511 /nfs/dbraw/zinc/34/85/11/351348511.db2.gz ALZIOYZDLNQQDI-UHFFFAOYSA-N 0 0 211.648 2.399 10 0 BEAERN Cc1cc(C(=O)c2c(Cl)cnn2C)co1 ZINC000228779323 351348788 /nfs/dbraw/zinc/34/87/88/351348788.db2.gz CUXVDUALBCBXLU-UHFFFAOYSA-N 0 0 224.647 2.206 10 0 BEAERN CCC[C@@H](C)NC(=O)[C@H](C)NCc1ccco1 ZINC000034938487 351353480 /nfs/dbraw/zinc/35/34/80/351353480.db2.gz FNQCBVJILCBIEW-MNOVXSKESA-N 0 0 238.331 2.063 10 0 BEAERN CN[C@H](c1csc(C)n1)c1ccc[nH]1 ZINC000306935631 351360073 /nfs/dbraw/zinc/36/00/73/351360073.db2.gz HHTPSTGKTCPQMF-JTQLQIEISA-N 0 0 207.302 2.088 10 0 BEAERN C[N@H+](/C=C/C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000306938764 351360395 /nfs/dbraw/zinc/36/03/95/351360395.db2.gz JYSOTIXEFCNVEC-SZOOLBNJSA-N 0 0 209.289 2.095 10 0 BEAERN CC(=O)c1cnn(C/C(Cl)=C/Cl)c1 ZINC000307020863 351428840 /nfs/dbraw/zinc/42/88/40/351428840.db2.gz BONYWGHAEIJAFY-WAPJZHGLSA-N 0 0 219.071 2.405 10 0 BEAERN Cc1cc(-c2noc([C@@H](C)N)n2)cs1 ZINC000307033253 351432433 /nfs/dbraw/zinc/43/24/33/351432433.db2.gz LLMKXQKEHMBYCJ-ZCFIWIBFSA-N 0 0 209.274 2.126 10 0 BEAERN Cc1nc(C)c([C@H]2NCCCS2)s1 ZINC000307026520 351434357 /nfs/dbraw/zinc/43/43/57/351434357.db2.gz KBFJEKAGNJFVAU-VIFPVBQESA-N 0 0 214.359 2.485 10 0 BEAERN Nc1nnc([C@@H]2CCCC2(F)F)s1 ZINC000307040723 351443649 /nfs/dbraw/zinc/44/36/49/351443649.db2.gz MPUHPRIPLZDOAI-BYPYZUCNSA-N 0 0 205.233 2.023 10 0 BEAERN Cc1cnc([C@H]2NC[C@H](C)CS2)s1 ZINC000307051307 351453000 /nfs/dbraw/zinc/45/30/00/351453000.db2.gz SJBJMHVZIGXGIE-XPUUQOCRSA-N 0 0 214.359 2.423 10 0 BEAERN CC[C@@H](N[C@@H](C)C(=O)OC)c1ccccc1F ZINC000122497114 363030360 /nfs/dbraw/zinc/03/03/60/363030360.db2.gz DWPIAAIAIZXJAG-JOYOIKCWSA-N 0 0 239.290 2.428 10 0 BEAERN Cc1ccc(C(=O)[C@H](C)N2CCC2)cc1 ZINC000307064192 351460729 /nfs/dbraw/zinc/46/07/29/351460729.db2.gz QCBCTIFPHJRVBF-NSHDSACASA-N 0 0 203.285 2.272 10 0 BEAERN Cc1c(C=O)nc2c(C)cc(Cl)cn12 ZINC000307067398 351462531 /nfs/dbraw/zinc/46/25/31/351462531.db2.gz XNPFXAKMBXDNIF-UHFFFAOYSA-N 0 0 208.648 2.417 10 0 BEAERN Oc1cccc([C@H](O)C(F)F)c1Cl ZINC000306990785 351409601 /nfs/dbraw/zinc/40/96/01/351409601.db2.gz UHGUBVAARHDMNK-ZETCQYMHSA-N 0 0 208.591 2.344 10 0 BEAERN CO[C@H]1CC[C@H](OCc2ccccc2)CO1 ZINC000214526886 351416765 /nfs/dbraw/zinc/41/67/65/351416765.db2.gz RPWJABFKEMWTRZ-QWHCGFSZSA-N 0 0 222.284 2.355 10 0 BEAERN COC(=O)c1c(C)c(F)c(F)cc1F ZINC000307015049 351423139 /nfs/dbraw/zinc/42/31/39/351423139.db2.gz TWHZKOCAKDTFIN-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN C[C@H](O)c1ccc(N)cc1Br ZINC000307020056 351424612 /nfs/dbraw/zinc/42/46/12/351424612.db2.gz SLVOQUZPMDYEGU-YFKPBYRVSA-N 0 0 216.078 2.085 10 0 BEAERN Brc1nnc(N2CC=CCC2)s1 ZINC000307020083 351424724 /nfs/dbraw/zinc/42/47/24/351424724.db2.gz SPHNBMMWNVAYGZ-UHFFFAOYSA-N 0 0 246.133 2.067 10 0 BEAERN OC[C@@H]1CCC[C@H](Nc2nsnc2Cl)C1 ZINC000307145134 351498338 /nfs/dbraw/zinc/49/83/38/351498338.db2.gz IUJHOKWFLAISCD-RQJHMYQMSA-N 0 0 247.751 2.155 10 0 BEAERN O=C(c1ccns1)[C@H]1CSCCS1 ZINC000307147540 351500566 /nfs/dbraw/zinc/50/05/66/351500566.db2.gz OIHHSSQFWIENBB-SSDOTTSWSA-N 0 0 231.367 2.174 10 0 BEAERN Clc1ccn2c(Br)cnc2n1 ZINC000082343854 180596807 /nfs/dbraw/zinc/59/68/07/180596807.db2.gz FYWFJPNRYNRXPJ-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN Cc1ccc([C@@H](NN)C(F)F)cc1Cl ZINC000232004382 351507343 /nfs/dbraw/zinc/50/73/43/351507343.db2.gz UPIUOOAXOUZMQE-MRVPVSSYSA-N 0 0 220.650 2.418 10 0 BEAERN C/C(=C\Cl)CN1CCC(=O)[C@H](C)C1 ZINC000232003659 351507353 /nfs/dbraw/zinc/50/73/53/351507353.db2.gz QFQUCOMPOBDBIY-WHXYTISESA-N 0 0 201.697 2.040 10 0 BEAERN Nc1scnc1[C@H]1CCCSC1 ZINC000307157026 351508317 /nfs/dbraw/zinc/50/83/17/351508317.db2.gz PDZSXUJMLMMDGQ-LURJTMIESA-N 0 0 200.332 2.336 10 0 BEAERN CC(C)=CCNc1ncnc(Cl)c1N ZINC000228900874 351479116 /nfs/dbraw/zinc/47/91/16/351479116.db2.gz FCMVXZJQABOQEO-UHFFFAOYSA-N 0 0 212.684 2.090 10 0 BEAERN C[C@@H]1NC(=O)Oc2cn(-c3ccccc3)nc21 ZINC000725268151 538100402 /nfs/dbraw/zinc/10/04/02/538100402.db2.gz DSROCKWYXYLNDN-QMMMGPOBSA-N 0 0 229.239 2.035 10 0 BEAERN Clc1nc2cnc(Cl)nc2s1 ZINC000032236524 180601654 /nfs/dbraw/zinc/60/16/54/180601654.db2.gz CPBSXTOXLUDODA-UHFFFAOYSA-N 0 0 206.057 2.393 10 0 BEAERN Clc1nsnc1NCCc1ccco1 ZINC000042595591 180604350 /nfs/dbraw/zinc/60/43/50/180604350.db2.gz PRNSHYJRAGCKBH-UHFFFAOYSA-N 0 0 229.692 2.439 10 0 BEAERN Clc1nsnc1NCc1nccs1 ZINC000049540257 180604568 /nfs/dbraw/zinc/60/45/68/180604568.db2.gz CBHBXBFHVYCDNB-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN Cc1cc([C@@H]2N[C@H](C)CS2)sn1 ZINC000404459559 363060874 /nfs/dbraw/zinc/06/08/74/363060874.db2.gz ZDPLRNYCTNOQOF-HTRCEHHLSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@@H]1CCS[C@H](c2ccns2)N1 ZINC000404456306 363060917 /nfs/dbraw/zinc/06/09/17/363060917.db2.gz WBOWXIFGFZPRSY-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN CC1(C)SC[C@H]1n1ccc(=O)[nH]c1=S ZINC000307164610 351530974 /nfs/dbraw/zinc/53/09/74/351530974.db2.gz MLOBRVGNTJDNJV-ZCFIWIBFSA-N 0 0 228.342 2.385 10 0 BEAERN CCCc1csc(NC(=O)OC)n1 ZINC000307166285 351534151 /nfs/dbraw/zinc/53/41/51/351534151.db2.gz ORIJLVHFTNMXEC-UHFFFAOYSA-N 0 0 200.263 2.274 10 0 BEAERN CN(C(=O)C(C)(Cl)Cl)[C@@H]1CC1(C)C ZINC000307166541 351535900 /nfs/dbraw/zinc/53/59/00/351535900.db2.gz PEXLTWRJCKYCQH-ZCFIWIBFSA-N 0 0 224.131 2.437 10 0 BEAERN Cn1c(-c2ccccc2O)nc2cccnc21 ZINC000104307781 180607828 /nfs/dbraw/zinc/60/78/28/180607828.db2.gz HFSTTZKHTGFXGG-UHFFFAOYSA-N 0 0 225.251 2.341 10 0 BEAERN CC(=O)Oc1cccc(C(=O)C2CC2)c1 ZINC000226053252 351549928 /nfs/dbraw/zinc/54/99/28/351549928.db2.gz AYISYVIRNYFNLR-UHFFFAOYSA-N 0 0 204.225 2.205 10 0 BEAERN CC(C)[C@@H](C)n1cc(Br)c(N)n1 ZINC000307179383 351565396 /nfs/dbraw/zinc/56/53/96/351565396.db2.gz LTLQHBQATZBXCC-ZCFIWIBFSA-N 0 0 232.125 2.445 10 0 BEAERN CC(=O)c1cnc(CC(F)(F)F)s1 ZINC000054159141 351570397 /nfs/dbraw/zinc/57/03/97/351570397.db2.gz BOMKKZWRBWNPPQ-UHFFFAOYSA-N 0 0 209.192 2.451 10 0 BEAERN CC(=O)c1cnc(Cc2cccnc2)s1 ZINC000054159087 351570520 /nfs/dbraw/zinc/57/05/20/351570520.db2.gz CDPXWJHPYUSBIX-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN COC(C)(C)[C@@H]1Nc2ccc(C)cc2C[C@H]1O ZINC000725268476 538100647 /nfs/dbraw/zinc/10/06/47/538100647.db2.gz SBHIUBTUSUYNFQ-CHWSQXEVSA-N 0 0 235.327 2.118 10 0 BEAERN Cc1c(=S)[nH]cnc1-c1cnsc1 ZINC000404598796 351594115 /nfs/dbraw/zinc/59/41/15/351594115.db2.gz UJAFBZXIIBILBT-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Cc1nnc(N[C@@H](C)CC(F)F)s1 ZINC000307194787 351595175 /nfs/dbraw/zinc/59/51/75/351595175.db2.gz QBVROEWOHHGGCM-BYPYZUCNSA-N 0 0 207.249 2.302 10 0 BEAERN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942701 363073759 /nfs/dbraw/zinc/07/37/59/363073759.db2.gz HPKUMXLCLDGFQY-BDAKNGLRSA-N 0 0 238.287 2.136 10 0 BEAERN F[C@@H]1C[C@@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000606302877 351556707 /nfs/dbraw/zinc/55/67/07/351556707.db2.gz ALGRWOKPJOGDBJ-RNFRBKRXSA-N 0 0 228.185 2.430 10 0 BEAERN O=C(c1cnsc1)[C@H]1CSCCS1 ZINC000404639935 351683115 /nfs/dbraw/zinc/68/31/15/351683115.db2.gz KXNULNKFKMGVOJ-SSDOTTSWSA-N 0 0 231.367 2.174 10 0 BEAERN C[C@H]1[C@H](O)CCCN1c1cccc(Cl)n1 ZINC000307253637 351781071 /nfs/dbraw/zinc/78/10/71/351781071.db2.gz VTZNNWUFVLGZBU-DTWKUNHWSA-N 0 0 226.707 2.085 10 0 BEAERN C[C@H](NC1N=NC(=S)S1)C(C)(F)F ZINC000307255309 351791657 /nfs/dbraw/zinc/79/16/57/351791657.db2.gz APBXZKLXTKVNRL-VKHMYHEASA-N 0 0 225.289 2.282 10 0 BEAERN Nc1csc(C(=O)NCc2ccccc2)c1 ZINC000307245339 351753377 /nfs/dbraw/zinc/75/33/77/351753377.db2.gz METYQPJIMUMTFU-UHFFFAOYSA-N 0 0 232.308 2.260 10 0 BEAERN COc1ccc(Cl)c(C(N)=O)c1Cl ZINC000307245830 351754240 /nfs/dbraw/zinc/75/42/40/351754240.db2.gz WOLCPHYSXZBJLW-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN Cn1ncc(Cl)c1C(=O)C1CC(F)(F)C1 ZINC000307249935 351757633 /nfs/dbraw/zinc/75/76/33/351757633.db2.gz OZOCVYAGXFRADA-UHFFFAOYSA-N 0 0 234.633 2.302 10 0 BEAERN Cc1ncc(Br)c(N[C@H]2C[C@@H]2C)n1 ZINC000307274924 351829581 /nfs/dbraw/zinc/82/95/81/351829581.db2.gz OWWMYUBVWTZRTD-XNCJUZBTSA-N 0 0 242.120 2.368 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)O1 ZINC000178017645 366076769 /nfs/dbraw/zinc/07/67/69/366076769.db2.gz OOZGGZLOVUZTRB-ZANVPECISA-N 0 0 247.294 2.128 10 0 BEAERN CC(C)[C@@H](C)C(=O)Nc1cnc(Cl)cn1 ZINC000232112435 351813656 /nfs/dbraw/zinc/81/36/56/351813656.db2.gz HIRDGQWBJVMDOY-SSDOTTSWSA-N 0 0 227.695 2.361 10 0 BEAERN FCCNc1cc(Cl)nnc1Cl ZINC000307269390 351817423 /nfs/dbraw/zinc/81/74/23/351817423.db2.gz NCIVYHDBFJLQOB-UHFFFAOYSA-N 0 0 210.039 2.165 10 0 BEAERN Nc1c(F)cccc1Cc1nccs1 ZINC000232138192 351853122 /nfs/dbraw/zinc/85/31/22/351853122.db2.gz FTYMNQRIMLFZJV-UHFFFAOYSA-N 0 0 208.261 2.455 10 0 BEAERN COC[C@H](O)c1ccc(Cl)c(C)c1F ZINC000307292747 351903890 /nfs/dbraw/zinc/90/38/90/351903890.db2.gz DDPQDBGZSVQTLW-VIFPVBQESA-N 0 0 218.655 2.467 10 0 BEAERN CC(C)[C@H](C)Nc1ncnc2[nH]ccc21 ZINC000263809215 187572027 /nfs/dbraw/zinc/57/20/27/187572027.db2.gz SSBCFHGQPYOGJU-QMMMGPOBSA-N 0 0 204.277 2.414 10 0 BEAERN Cn1cc(Sc2ccccc2N)cn1 ZINC000042405933 180664857 /nfs/dbraw/zinc/66/48/57/180664857.db2.gz SCFKQAORTJYIPY-UHFFFAOYSA-N 0 0 205.286 2.154 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCO2 ZINC000001685932 187581094 /nfs/dbraw/zinc/58/10/94/187581094.db2.gz DPOZBCNKLCURCP-ZJUUUORDSA-N 0 0 234.251 2.082 10 0 BEAERN Nc1noc(CC2CCC2)c1Br ZINC000232175404 352032162 /nfs/dbraw/zinc/03/21/62/352032162.db2.gz DROLREAMQYKMNW-UHFFFAOYSA-N 0 0 231.093 2.362 10 0 BEAERN Cn1ccc(-c2cc(C(F)F)[nH]c(=S)n2)n1 ZINC000002538171 180680473 /nfs/dbraw/zinc/68/04/73/180680473.db2.gz HHKBVQITQPPZAW-UHFFFAOYSA-N 0 0 242.254 2.103 10 0 BEAERN CC(C)(CO)CNc1ccc(F)c(F)c1 ZINC000082711385 187604571 /nfs/dbraw/zinc/60/45/71/187604571.db2.gz NTGRBNNQWQLBFP-UHFFFAOYSA-N 0 0 215.243 2.395 10 0 BEAERN CC[C@@H]1CCCCN1c1c(N)c(C)nn1C ZINC000036749286 187596549 /nfs/dbraw/zinc/59/65/49/187596549.db2.gz BPNXYHFSQPQCJW-SNVBAGLBSA-N 0 0 222.336 2.080 10 0 BEAERN CC(C)c1nn(C)cc1NCC(F)F ZINC000300895769 363109025 /nfs/dbraw/zinc/10/90/25/363109025.db2.gz HNNRDHWCKWCGDZ-UHFFFAOYSA-N 0 0 203.236 2.221 10 0 BEAERN CC1=CC[C@@H](CN=[S@](C)(=O)N(C)C)CC1 ZINC000725270434 538102297 /nfs/dbraw/zinc/10/22/97/538102297.db2.gz LBIIBMLTSFNYTO-ABAIWWIYSA-N 0 0 230.377 2.307 10 0 BEAERN CC(C)COC(=O)c1ccc(F)c(N)c1 ZINC000041043730 187630527 /nfs/dbraw/zinc/63/05/27/187630527.db2.gz SMRATONGRQETPW-UHFFFAOYSA-N 0 0 211.236 2.221 10 0 BEAERN Cc1nnc(Sc2ncc(N)cc2C)s1 ZINC000052813824 187640956 /nfs/dbraw/zinc/64/09/56/187640956.db2.gz IMMVABAJJUCBPA-UHFFFAOYSA-N 0 0 238.341 2.283 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1CCCCCC1 ZINC000305072944 187644358 /nfs/dbraw/zinc/64/43/58/187644358.db2.gz PORIZDOOTSNQNN-LBPRGKRZSA-N 0 0 241.375 2.480 10 0 BEAERN CCCCC1(CCCC)OC[C@H](CO)O1 ZINC000005510553 187644520 /nfs/dbraw/zinc/64/45/20/187644520.db2.gz LBLQNULZTHESCY-NSHDSACASA-N 0 0 216.321 2.471 10 0 BEAERN CSC[C@@H](C)Nc1cnc(C)c(C)n1 ZINC000229070913 352332420 /nfs/dbraw/zinc/33/24/20/352332420.db2.gz HTYLHGRLGVBEFD-SSDOTTSWSA-N 0 0 211.334 2.257 10 0 BEAERN CC(C)(C)NC(=O)N[C@@H]1CCc2c1cccc2N ZINC000725271449 538103046 /nfs/dbraw/zinc/10/30/46/538103046.db2.gz NGZSQCXJUOKXAI-GFCCVEGCSA-N 0 0 247.342 2.354 10 0 BEAERN Nc1c[nH]c2ccc(C(F)(F)F)nc12 ZINC000044713077 352384212 /nfs/dbraw/zinc/38/42/12/352384212.db2.gz KDCSBNNFOZQMLV-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN CN(C)[S@](C)(=O)=NC[C@@H]1CCC[C@H](F)C1 ZINC000725271000 538103167 /nfs/dbraw/zinc/10/31/67/538103167.db2.gz XJZLUCFKAGJVMF-HFBDOXOYSA-N 0 0 236.356 2.089 10 0 BEAERN COCc1ccc(C(=O)NC2CCCC2)o1 ZINC000119824942 187701640 /nfs/dbraw/zinc/70/16/40/187701640.db2.gz OCBPBCAXYXJCMJ-UHFFFAOYSA-N 0 0 223.272 2.098 10 0 BEAERN CC(C)(C)C(=O)N[C@@H]1CCc2c1cccc2N ZINC000725271607 538103340 /nfs/dbraw/zinc/10/33/40/538103340.db2.gz QPAQNUAFJMKMGP-GFCCVEGCSA-N 0 0 232.327 2.418 10 0 BEAERN O=C(c1cc(Cl)ns1)N1CCCC1 ZINC000307368463 352455207 /nfs/dbraw/zinc/45/52/07/352455207.db2.gz NCDUAHCGTPWMMM-UHFFFAOYSA-N 0 0 216.693 2.033 10 0 BEAERN CC[S@@](=O)Nc1c(N)cccc1Cl ZINC000307378847 352477117 /nfs/dbraw/zinc/47/71/17/352477117.db2.gz CYECEZKJSQHXIH-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN C=CS(=O)(=O)N(C)C1CCCCCC1 ZINC000307380486 352481809 /nfs/dbraw/zinc/48/18/09/352481809.db2.gz YKKUXNRAQDNRJT-UHFFFAOYSA-N 0 0 217.334 2.114 10 0 BEAERN CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000725271961 538103951 /nfs/dbraw/zinc/10/39/51/538103951.db2.gz WSUZLLBJWWFDJQ-CSMHCCOUSA-N 0 0 239.237 2.028 10 0 BEAERN Nc1cccc2c1CC[C@H]2NC(=O)CC1CC1 ZINC000725271952 538103979 /nfs/dbraw/zinc/10/39/79/538103979.db2.gz WOXHQFWFDXCVAR-CYBMUJFWSA-N 0 0 230.311 2.172 10 0 BEAERN CC[C@@H](C)NC(=O)[C@H]1CCCC1(F)F ZINC000307383509 352510166 /nfs/dbraw/zinc/51/01/66/352510166.db2.gz DNTDXAXQJAMGGG-HTQZYQBOSA-N 0 0 205.248 2.337 10 0 BEAERN CC1(C)SC[C@@H]1Nc1ncc(N)s1 ZINC000307384761 352511962 /nfs/dbraw/zinc/51/19/62/352511962.db2.gz JZEGZGRBLHPPMB-YFKPBYRVSA-N 0 0 215.347 2.031 10 0 BEAERN Cn1ccnc1Oc1ccc(N)c(Cl)c1 ZINC000050606753 180752023 /nfs/dbraw/zinc/75/20/23/180752023.db2.gz WGKJPUVIPMJMLE-UHFFFAOYSA-N 0 0 223.663 2.448 10 0 BEAERN Cn1ncc(Br)c1C(=O)C(C)(C)F ZINC000307475280 352618697 /nfs/dbraw/zinc/61/86/97/352618697.db2.gz BGPBFODFNOTFLL-UHFFFAOYSA-N 0 0 249.083 2.113 10 0 BEAERN C[C@@H](Nc1cnns1)c1ccccn1 ZINC000232292029 352605854 /nfs/dbraw/zinc/60/58/54/352605854.db2.gz IYGUGLDJIKHLAB-SSDOTTSWSA-N 0 0 206.274 2.106 10 0 BEAERN COc1cc(N)c(C(F)(F)F)cc1F ZINC000307460842 352611043 /nfs/dbraw/zinc/61/10/43/352611043.db2.gz INMMZYLBPAYTQG-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN O=[S@](Nc1ccnc(Cl)n1)C1CCCC1 ZINC000307395299 352569263 /nfs/dbraw/zinc/56/92/63/352569263.db2.gz NHYXYMJYILCWBD-HNNXBMFYSA-N 0 0 245.735 2.148 10 0 BEAERN Clc1ncnc2cc3n(c21)CCCC3 ZINC000498035849 352569705 /nfs/dbraw/zinc/56/97/05/352569705.db2.gz LKGWBQKUDJWJJR-UHFFFAOYSA-N 0 0 207.664 2.421 10 0 BEAERN CCCCC(=O)[C@@H](C(=O)OCC)C(F)(F)F ZINC000498036365 352570035 /nfs/dbraw/zinc/57/00/35/352570035.db2.gz DBGNGAPVYJEOEE-QMMMGPOBSA-N 0 0 240.221 2.487 10 0 BEAERN CC/C(=C/c1ncc(Cl)n1C)[N+](=O)[O-] ZINC000300963154 352581330 /nfs/dbraw/zinc/58/13/30/352581330.db2.gz GLSSKPCVACOSFF-XQRVVYSFSA-N 0 0 215.640 2.101 10 0 BEAERN CO[C@H]1CCC[C@@H]1n1ccc(Br)n1 ZINC000307408006 352581743 /nfs/dbraw/zinc/58/17/43/352581743.db2.gz FENNEZQESFOMOZ-YUMQZZPRSA-N 0 0 245.120 2.386 10 0 BEAERN O=C([O-])[C@H]1CCCCCC[N@@H+]1C/C=C/Cl ZINC000300984022 352582109 /nfs/dbraw/zinc/58/21/09/352582109.db2.gz INGCNWMLPJCKEL-BREXMAIKSA-N 0 0 231.723 2.458 10 0 BEAERN Nc1ncnc(Cl)c1OCc1ccccc1 ZINC000307552611 352647959 /nfs/dbraw/zinc/64/79/59/352647959.db2.gz CQFRPBXQLNBFAS-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN CC1CCC([NH2+][C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000232436111 352665948 /nfs/dbraw/zinc/66/59/48/352665948.db2.gz RHOOYTCAXMSPEI-JPPWEJMLSA-N 0 0 211.305 2.018 10 0 BEAERN Clc1n[nH]c(-c2ccncc2Cl)n1 ZINC000307600796 352666988 /nfs/dbraw/zinc/66/69/88/352666988.db2.gz SYWZUEGEOOGSSX-UHFFFAOYSA-N 0 0 215.043 2.174 10 0 BEAERN NN=c1[nH]c2c(s1)CCC21CCCC1 ZINC000307602064 352667691 /nfs/dbraw/zinc/66/76/91/352667691.db2.gz VYCQTPIGGVURQA-UHFFFAOYSA-N 0 0 209.318 2.187 10 0 BEAERN S=C1N=NC(N2CCC3(CCC3)C2)S1 ZINC000307492153 352624420 /nfs/dbraw/zinc/62/44/20/352624420.db2.gz YYYCXEUMXNJDPS-UHFFFAOYSA-N 0 0 227.358 2.207 10 0 BEAERN COc1nccc2[nH]cc(Br)c21 ZINC000307520003 352633831 /nfs/dbraw/zinc/63/38/31/352633831.db2.gz XAVHLYSFWVCXBD-UHFFFAOYSA-N 0 0 227.061 2.286 10 0 BEAERN C[C@H]1CSC[C@@]1(O)Cc1ccccc1 ZINC000307529801 352635341 /nfs/dbraw/zinc/63/53/41/352635341.db2.gz PGKSKXOBJWGQCO-JQWIXIFHSA-N 0 0 208.326 2.343 10 0 BEAERN Brc1ccoc1CNc1cn[nH]c1 ZINC000232455966 352679961 /nfs/dbraw/zinc/67/99/61/352679961.db2.gz PGWITSJOUXMJRG-UHFFFAOYSA-N 0 0 242.076 2.377 10 0 BEAERN CC(C)(C)Nc1ncnc(N)c1Br ZINC000232494495 352756533 /nfs/dbraw/zinc/75/65/33/352756533.db2.gz OJFGGYSMESKEGH-UHFFFAOYSA-N 0 0 245.124 2.032 10 0 BEAERN Brc1nnc(-c2cncs2)s1 ZINC000232467087 352720887 /nfs/dbraw/zinc/72/08/87/352720887.db2.gz KOLSBQSPTJKNAW-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN Cc1nc(C)c(F)c(N2CC=C(C)CC2)n1 ZINC000334193368 352785495 /nfs/dbraw/zinc/78/54/95/352785495.db2.gz IKJVQZLJBSLTRK-UHFFFAOYSA-N 0 0 221.279 2.389 10 0 BEAERN Cn1nc(CCCc2cccs2)cc1N ZINC000036938165 180804333 /nfs/dbraw/zinc/80/43/33/180804333.db2.gz ODBOOZVVUPRMCR-UHFFFAOYSA-N 0 0 221.329 2.239 10 0 BEAERN CC(C)CSCCCNC(=O)N[C@@H]1C[C@@H]1C ZINC000124375902 187909081 /nfs/dbraw/zinc/90/90/81/187909081.db2.gz WKEBEADUTHGCQU-WDEREUQCSA-N 0 0 244.404 2.473 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(-c3ccccn3)no2)O1 ZINC000129139789 187909952 /nfs/dbraw/zinc/90/99/52/187909952.db2.gz UMUHDYWTGQGWJV-WPRPVWTQSA-N 0 0 231.255 2.372 10 0 BEAERN O=C(c1ccc(-n2cccc2)cc1)N1CCCO1 ZINC000125383739 187910238 /nfs/dbraw/zinc/91/02/38/187910238.db2.gz KIPSEJBNRNNGCT-UHFFFAOYSA-N 0 0 242.278 2.255 10 0 BEAERN CC(CO)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000004654867 187929133 /nfs/dbraw/zinc/92/91/33/187929133.db2.gz HHOUSCIEKLBSGQ-UHFFFAOYSA-N 0 0 244.290 2.396 10 0 in-vitro BEAERN Cn1ncc(Cl)c(NCc2ccccc2)c1=O ZINC000039414049 180817390 /nfs/dbraw/zinc/81/73/90/180817390.db2.gz XNDTTZOPIOYPGT-UHFFFAOYSA-N 0 0 249.701 2.046 10 0 BEAERN Cc1nn(C(C)C)c(C)c1NCc1cnn(C)c1 ZINC000037787631 187941172 /nfs/dbraw/zinc/94/11/72/187941172.db2.gz HGSUKDVCVRZQBE-UHFFFAOYSA-N 0 0 247.346 2.426 10 0 BEAERN CC1(CNc2ncc(Cl)cc2F)OCCO1 ZINC000307703120 353020327 /nfs/dbraw/zinc/02/03/27/353020327.db2.gz QQJZVALHCULWTR-UHFFFAOYSA-N 0 0 246.669 2.049 10 0 BEAERN Nc1c(Br)nccc1C(F)(F)F ZINC000306327614 353004537 /nfs/dbraw/zinc/00/45/37/353004537.db2.gz MUSAAFFJIAKLAC-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN CC(C)c1ccc(NC(=O)CC(N)=S)cc1 ZINC000020433150 187936657 /nfs/dbraw/zinc/93/66/57/187936657.db2.gz HHTFXVRBVOPEGW-UHFFFAOYSA-N 0 0 236.340 2.425 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nc(C)cc(OC)n1 ZINC000231663191 538106971 /nfs/dbraw/zinc/10/69/71/538106971.db2.gz FOHOTMJXPYILDK-ZJUUUORDSA-N 0 0 221.304 2.394 10 0 BEAERN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCCCC1 ZINC000023975724 187937535 /nfs/dbraw/zinc/93/75/35/187937535.db2.gz VXTGKZKIRLNZMG-BQYQJAHWSA-N 0 0 247.342 2.063 10 0 BEAERN COc1ccc(Br)c([C@@H](C)NO)c1 ZINC000306389484 353009130 /nfs/dbraw/zinc/00/91/30/353009130.db2.gz XYEWJACQJXSQLX-ZCFIWIBFSA-N 0 0 246.104 2.498 10 0 BEAERN CC(C)[NH+](CCn1cccc1C(=O)[O-])C(C)C ZINC000035431523 187939583 /nfs/dbraw/zinc/93/95/83/187939583.db2.gz OYMFNJRJXFNAJW-UHFFFAOYSA-N 0 0 238.331 2.305 10 0 BEAERN C/C=C/C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000095081865 187974143 /nfs/dbraw/zinc/97/41/43/187974143.db2.gz ADJLYUKGFXQIBH-FSIBCCDJSA-N 0 0 247.294 2.211 10 0 BEAERN Cc1ccc(CC(=O)NCC2CC2)s1 ZINC000057033157 187955192 /nfs/dbraw/zinc/95/51/92/187955192.db2.gz XGISRGHVJZJOTR-UHFFFAOYSA-N 0 0 209.314 2.125 10 0 BEAERN Cc1cnc(-c2nc(C=O)cs2)s1 ZINC000306862857 353043160 /nfs/dbraw/zinc/04/31/60/353043160.db2.gz JADXSGBMCKARNP-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN O=C(c1ccsn1)C1CCSCC1 ZINC000393705611 353043675 /nfs/dbraw/zinc/04/36/75/353043675.db2.gz QWAFBCFHABGQCM-UHFFFAOYSA-N 0 0 213.327 2.469 10 0 BEAERN Cc1ccc(Br)c(F)c1N ZINC000075915340 187963902 /nfs/dbraw/zinc/96/39/02/187963902.db2.gz VQNSEDIAEPUXJK-UHFFFAOYSA-N 0 0 204.042 2.479 10 0 BEAERN CC[C@H]1CCC(=O)[C@@H](CN2CCOC[C@@H]2C)C1 ZINC000053926965 188001043 /nfs/dbraw/zinc/00/10/43/188001043.db2.gz UVOIZJNUMYKICU-RWMBFGLXSA-N 0 0 239.359 2.103 10 0 BEAERN COCc1c(Br)cccc1NC#N ZINC000052832591 353108644 /nfs/dbraw/zinc/10/86/44/353108644.db2.gz KWEVAHZNQPRMTH-UHFFFAOYSA-N 0 0 241.088 2.488 10 0 BEAERN Cc1ncc([C@@H]2CCCCC(=O)C2)n1C ZINC000307722237 353111172 /nfs/dbraw/zinc/11/11/72/353111172.db2.gz RZQIQOHSUIHFAG-SNVBAGLBSA-N 0 0 206.289 2.345 10 0 BEAERN Cc1cccc(Br)c1[C@@H](C)NN ZINC000307532211 353081370 /nfs/dbraw/zinc/08/13/70/353081370.db2.gz YTNRSZSAACNSGU-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000103373106 187989173 /nfs/dbraw/zinc/98/91/73/187989173.db2.gz CESSVQHDRLRWFR-SDDRHHMPSA-N 0 0 227.348 2.306 10 0 BEAERN COc1ncc([C@]2(O)C[C@@H](C)[C@@H]2C)s1 ZINC000307739449 353121976 /nfs/dbraw/zinc/12/19/76/353121976.db2.gz YVVQOZSZONWUNN-FWWHASMVSA-N 0 0 213.302 2.015 10 0 BEAERN Cc1c(Br)cccc1C(N)=S ZINC000083357117 188009337 /nfs/dbraw/zinc/00/93/37/188009337.db2.gz UTHLAQVWNLYUQS-UHFFFAOYSA-N 0 0 230.130 2.392 10 0 BEAERN CC(C)C[C@@H](C)CC(=O)NCC1(C)COC1 ZINC000112620138 188015839 /nfs/dbraw/zinc/01/58/39/188015839.db2.gz WIRKQLYFVJXIQH-LLVKDONJSA-N 0 0 227.348 2.211 10 0 BEAERN CN(C)c1cccc(Cl)c1C(N)=S ZINC000052904293 353131983 /nfs/dbraw/zinc/13/19/83/353131983.db2.gz DOHLIRIRIKJBNH-UHFFFAOYSA-N 0 0 214.721 2.040 10 0 BEAERN CC(C)(O)C(=O)c1sccc1Br ZINC000232579399 353137323 /nfs/dbraw/zinc/13/73/23/353137323.db2.gz HDFKBDVCBXHOPE-UHFFFAOYSA-N 0 0 249.129 2.464 10 0 BEAERN Clc1cnc(CNc2cn[nH]c2)s1 ZINC000223024064 353119178 /nfs/dbraw/zinc/11/91/78/353119178.db2.gz IFTJBVHYGRGNSO-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN CC(C)COCCNc1ccnc(C2CC2)n1 ZINC000301236053 188043267 /nfs/dbraw/zinc/04/32/67/188043267.db2.gz KHVYQXHIMMXSCC-UHFFFAOYSA-N 0 0 235.331 2.439 10 0 BEAERN O=Cc1ccc2c(c1)sc1nccn21 ZINC000082381765 188004970 /nfs/dbraw/zinc/00/49/70/188004970.db2.gz MXDXZJBBQZRNSR-UHFFFAOYSA-N 0 0 202.238 2.362 10 0 BEAERN CC(C)(C)c1ccnc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000293118309 188050587 /nfs/dbraw/zinc/05/05/87/188050587.db2.gz QSOCFPDBIGHBIC-QWRGUYRKSA-N 0 0 249.358 2.347 10 0 BEAERN C[C@H](Nc1cn[nH]c(=O)c1Cl)c1ccco1 ZINC000048381246 353156793 /nfs/dbraw/zinc/15/67/93/353156793.db2.gz GOXMWQRBJQPZEM-LURJTMIESA-N 0 0 239.662 2.189 10 0 BEAERN CCC[C@H]1CCC[C@@H]1NCC(F)(F)CO ZINC000336759237 353168904 /nfs/dbraw/zinc/16/89/04/353168904.db2.gz KKQWMXGBCACJED-UWVGGRQHSA-N 0 0 221.291 2.172 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCC[C@H](C)C1 ZINC000079122424 538109717 /nfs/dbraw/zinc/10/97/17/538109717.db2.gz YGYVCGOCGZFVIZ-QWRGUYRKSA-N 0 0 212.337 2.472 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](C)C1 ZINC000079122425 538109722 /nfs/dbraw/zinc/10/97/22/538109722.db2.gz YGYVCGOCGZFVIZ-GHMZBOCLSA-N 0 0 212.337 2.472 10 0 BEAERN CCC[C@@H]1CCC[C@@H]1NCC(F)(F)CO ZINC000336759239 353168749 /nfs/dbraw/zinc/16/87/49/353168749.db2.gz KKQWMXGBCACJED-ZJUUUORDSA-N 0 0 221.291 2.172 10 0 BEAERN CC[C@@H]1CCC(=O)[C@H](C(OC)OC)C1 ZINC000121998292 538110298 /nfs/dbraw/zinc/11/02/98/538110298.db2.gz JSWCTMZUHHQGOO-RKDXNWHRSA-N 0 0 200.278 2.001 10 0 BEAERN COC(OC)[C@H]1C[C@@H](C(C)C)CCC1=O ZINC000122003944 538110392 /nfs/dbraw/zinc/11/03/92/538110392.db2.gz RSMLVERVKDMZOW-UWVGGRQHSA-N 0 0 214.305 2.247 10 0 BEAERN FC(F)(F)CNC[C@H]1OCCc2ccccc21 ZINC000037974016 180883595 /nfs/dbraw/zinc/88/35/95/180883595.db2.gz NDIPZQCOSJEJCC-LLVKDONJSA-N 0 0 245.244 2.452 10 0 BEAERN FC(F)(F)CNCc1ccc2c[nH]nc2c1 ZINC000061669973 180883987 /nfs/dbraw/zinc/88/39/87/180883987.db2.gz HNSHBAIOLNMVJD-UHFFFAOYSA-N 0 0 229.205 2.215 10 0 BEAERN CCc1cccc([C@@H](O)c2cn[nH]c2)c1 ZINC000309109206 538110484 /nfs/dbraw/zinc/11/04/84/538110484.db2.gz NKQVKAOWZLFTCA-GFCCVEGCSA-N 0 0 202.257 2.054 10 0 BEAERN FC(F)(F)[C@H]1COc2ccccc2N1 ZINC000071372601 180891497 /nfs/dbraw/zinc/89/14/97/180891497.db2.gz BDHQHFBJYYYQOI-MRVPVSSYSA-N 0 0 203.163 2.422 10 0 BEAERN FC(F)(F)[C@H]1CC[C@H](C(F)(F)F)N1 ZINC000047845115 180891602 /nfs/dbraw/zinc/89/16/02/180891602.db2.gz FZRPBFXDCLGOOC-QWWZWVQMSA-N 0 0 207.117 2.232 10 0 BEAERN Cc1nc([C@@H]2NCCCS2)cs1 ZINC000126787346 353255066 /nfs/dbraw/zinc/25/50/66/353255066.db2.gz HQLVWWPUDCEWRL-MRVPVSSYSA-N 0 0 200.332 2.177 10 0 BEAERN Cc1nc([C@H]2NC[C@H](C)S2)cs1 ZINC000126781998 353255232 /nfs/dbraw/zinc/25/52/32/353255232.db2.gz BQRPVBWGSFSVFZ-XNCJUZBTSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@@H]1CCN[C@@H](c2cscn2)S1 ZINC000126795520 353255446 /nfs/dbraw/zinc/25/54/46/353255446.db2.gz CYAZAFRNWPBAMQ-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN CC(C)c1cc(NCc2cncnc2)no1 ZINC000134443473 538112424 /nfs/dbraw/zinc/11/24/24/538112424.db2.gz QKVNYWRFTJMEEN-UHFFFAOYSA-N 0 0 218.260 2.200 10 0 BEAERN O=Cc1csc(C[C@@H]2CCCCO2)n1 ZINC000127830627 353274549 /nfs/dbraw/zinc/27/45/49/353274549.db2.gz XZIFGDVYSXNQEH-VIFPVBQESA-N 0 0 211.286 2.067 10 0 BEAERN CC(C)(C)C[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127667785 353274616 /nfs/dbraw/zinc/27/46/16/353274616.db2.gz TUBFVJWXKCLSQW-LBPRGKRZSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)N(C(=O)C1CC=CC1)C1CCOCC1 ZINC000121528961 188248902 /nfs/dbraw/zinc/24/89/02/188248902.db2.gz JXCKPNPHOPOAKX-UHFFFAOYSA-N 0 0 237.343 2.369 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCSC1 ZINC000121605240 188249240 /nfs/dbraw/zinc/24/92/40/188249240.db2.gz YTQMWAYICXVZIW-VHSXEESVSA-N 0 0 230.377 2.178 10 0 BEAERN CC(C)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117741212 188255604 /nfs/dbraw/zinc/25/56/04/188255604.db2.gz RTBROVSCUOZQQV-BXKDBHETSA-N 0 0 219.284 2.076 10 0 BEAERN CC(=O)CC(=S)NCc1ccccc1 ZINC000039369360 188256296 /nfs/dbraw/zinc/25/62/96/188256296.db2.gz XJEYSZYUSIDFDT-UHFFFAOYSA-N 0 0 207.298 2.083 10 0 BEAERN CC(C)=CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125279796 188256901 /nfs/dbraw/zinc/25/69/01/188256901.db2.gz IKYRCBLPUSIMNQ-UHFFFAOYSA-N 0 0 233.315 2.082 10 0 BEAERN C[C@@H]1CN(C(=O)NC2CCCCC2)CCS1 ZINC000122547309 324048136 /nfs/dbraw/zinc/04/81/36/324048136.db2.gz UKBTXHYYOFSKEG-SNVBAGLBSA-N 0 0 242.388 2.466 10 0 BEAERN COc1ccc(C)c2c(=O)[nH]c(Cl)nc12 ZINC000129331569 353309769 /nfs/dbraw/zinc/30/97/69/353309769.db2.gz GBYNPGAWBGTBLM-UHFFFAOYSA-N 0 0 224.647 2.306 10 0 BEAERN CC(=O)n1nc(-c2ccc(C)cc2)nc1C ZINC000027080658 188271071 /nfs/dbraw/zinc/27/10/71/188271071.db2.gz XTBQSHFANLHHGN-UHFFFAOYSA-N 0 0 215.256 2.222 10 0 BEAERN Cc1cc(C)c2c(c1)nc(Cl)n(C)c2=O ZINC000129349439 353310712 /nfs/dbraw/zinc/31/07/12/353310712.db2.gz BTXSLXJSCZKIGX-UHFFFAOYSA-N 0 0 222.675 2.204 10 0 BEAERN CCN(CC)c1ccc(C(=O)COC)cc1 ZINC000036202829 188278672 /nfs/dbraw/zinc/27/86/72/188278672.db2.gz XJSVDDLOUWYVCO-UHFFFAOYSA-N 0 0 221.300 2.362 10 0 BEAERN Cc1oncc1C(=O)Nc1c(C)ccc(N)c1C ZINC000019439240 188280670 /nfs/dbraw/zinc/28/06/70/188280670.db2.gz VONHNKZFNGONHD-UHFFFAOYSA-N 0 0 245.282 2.434 10 0 BEAERN CC1=NCCc2cc3c(cc21)OCCCO3 ZINC000017043800 188281207 /nfs/dbraw/zinc/28/12/07/188281207.db2.gz NGDSZPYFSDAQOZ-UHFFFAOYSA-N 0 0 217.268 2.213 10 0 BEAERN CSc1ccc(NCC(=O)NC2CC2)cc1 ZINC000020043748 188282185 /nfs/dbraw/zinc/28/21/85/188282185.db2.gz LCOKNTJKPOXRDE-UHFFFAOYSA-N 0 0 236.340 2.099 10 0 BEAERN CC(=O)CC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000037839306 188287968 /nfs/dbraw/zinc/28/79/68/188287968.db2.gz HVQYGDKMLYDPEV-UHFFFAOYSA-N 0 0 249.354 2.249 10 0 BEAERN Cc1nn(C(C)C)c(C)c1NC(=O)c1cn[nH]c1 ZINC000037791674 188288229 /nfs/dbraw/zinc/28/82/29/188288229.db2.gz WJPURWYUCLCFGO-UHFFFAOYSA-N 0 0 247.302 2.056 10 0 BEAERN Cc1ccc2oc([C@H](N)Cc3c[nH]cn3)nc2c1 ZINC000037746436 188288704 /nfs/dbraw/zinc/28/87/04/188288704.db2.gz FLVNTJJXWODRMY-SNVBAGLBSA-N 0 0 242.282 2.102 10 0 BEAERN Cn1ncc(Cl)c1C(=O)c1ccc(F)cc1 ZINC000075872229 188289018 /nfs/dbraw/zinc/28/90/18/188289018.db2.gz PAWZDLZJLAIUHB-UHFFFAOYSA-N 0 0 238.649 2.444 10 0 BEAERN CC(C)(C)Cc1nc([C@@H]2CCCCN2)no1 ZINC000040443525 188291784 /nfs/dbraw/zinc/29/17/84/188291784.db2.gz KMQJHHBPAJUEJY-VIFPVBQESA-N 0 0 223.320 2.473 10 0 BEAERN O=C([O-])[C@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000041261103 188293176 /nfs/dbraw/zinc/29/31/76/188293176.db2.gz BAHGLDWWITXLIS-AWEZNQCLSA-N 0 0 233.311 2.074 10 0 BEAERN Cc1cc(N)ccc1C(=O)N1CCCCC1 ZINC000044748043 188296892 /nfs/dbraw/zinc/29/68/92/188296892.db2.gz ZKLRPVVATOWTKG-UHFFFAOYSA-N 0 0 218.300 2.203 10 0 BEAERN Cc1cc(Cl)cc2c(N)c(C(=O)[O-])cnc12 ZINC000047913074 188297284 /nfs/dbraw/zinc/29/72/84/188297284.db2.gz XAJFQEZVBNGETG-UHFFFAOYSA-N 0 0 236.658 2.477 10 0 BEAERN CCCC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944733 188297768 /nfs/dbraw/zinc/29/77/68/188297768.db2.gz IFNQPANMRKEVEG-UHFFFAOYSA-N 0 0 244.342 2.372 10 0 BEAERN CC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000045727428 188297962 /nfs/dbraw/zinc/29/79/62/188297962.db2.gz AAUXWIYRVPLLIN-UHFFFAOYSA-N 0 0 221.256 2.210 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)Nc1cnn(C(C)C)c1 ZINC000061684383 188302494 /nfs/dbraw/zinc/30/24/94/188302494.db2.gz NFVANMBEMCRAMI-UHFFFAOYSA-N 0 0 247.302 2.056 10 0 BEAERN CC(C)(c1ccccc1)c1nccc(N)n1 ZINC000062773720 188303409 /nfs/dbraw/zinc/30/34/09/188303409.db2.gz DWJQBIDRZLKHHC-UHFFFAOYSA-N 0 0 213.284 2.385 10 0 BEAERN CCCn1ccnc(NCCC(F)(F)F)c1=O ZINC000063100553 188303985 /nfs/dbraw/zinc/30/39/85/188303985.db2.gz DYXOTVKVVONXSG-UHFFFAOYSA-N 0 0 249.236 2.018 10 0 BEAERN Nc1cc(-c2ccc3c(c2)CCC3)ncn1 ZINC000071518211 188305573 /nfs/dbraw/zinc/30/55/73/188305573.db2.gz FTGFAIAAHQCKKW-UHFFFAOYSA-N 0 0 211.268 2.215 10 0 BEAERN CC(C)Cc1nnc(Br)o1 ZINC000071509222 188305879 /nfs/dbraw/zinc/30/58/79/188305879.db2.gz CTSVZWLNSRTSSW-UHFFFAOYSA-N 0 0 205.055 2.031 10 0 BEAERN Clc1nc(Cl)nc(-c2ccncc2)n1 ZINC000072193568 188306732 /nfs/dbraw/zinc/30/67/32/188306732.db2.gz OROSJZHHNHRQIG-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN Cc1cccc([C@H]2Cc3n[nH]cc3[C@H](O)C2)c1 ZINC000072415147 188306841 /nfs/dbraw/zinc/30/68/41/188306841.db2.gz YIOZUUUIVBBTSO-SMDDNHRTSA-N 0 0 228.295 2.482 10 0 BEAERN CC(C)(C)c1nc(-c2cc(N)ccc2O)n[nH]1 ZINC000072237596 188307018 /nfs/dbraw/zinc/30/70/18/188307018.db2.gz VLINVQWKQMIORT-UHFFFAOYSA-N 0 0 232.287 2.057 10 0 BEAERN COc1ccc(CNc2cccnn2)cc1 ZINC000052815876 188259412 /nfs/dbraw/zinc/25/94/12/188259412.db2.gz SYGBTJVMKCBAQE-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN CC(C)(C)OC(=O)n1ccc2cc[nH]c(=O)c21 ZINC000098209807 188322383 /nfs/dbraw/zinc/32/23/83/188322383.db2.gz UUVKBXUBYQEJAJ-UHFFFAOYSA-N 0 0 234.255 2.113 10 0 BEAERN CC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1 ZINC000081172058 188312380 /nfs/dbraw/zinc/31/23/80/188312380.db2.gz IYCPOVPHBRZHCZ-UHFFFAOYSA-N 0 0 247.323 2.043 10 0 BEAERN Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)cc1C ZINC000089162296 188317537 /nfs/dbraw/zinc/31/75/37/188317537.db2.gz QLIJFPGSPMZTPZ-ZIAGYGMSSA-N 0 0 247.338 2.194 10 0 BEAERN BrC1=CN=C[C@@H](OC2CC2)C1 ZINC000095725288 188319987 /nfs/dbraw/zinc/31/99/87/188319987.db2.gz DXTMWWQYFSBUKV-QMMMGPOBSA-N 0 0 216.078 2.245 10 0 BEAERN BrC1=CN=C[C@H](OC2CC2)C1 ZINC000095725287 188320180 /nfs/dbraw/zinc/32/01/80/188320180.db2.gz DXTMWWQYFSBUKV-MRVPVSSYSA-N 0 0 216.078 2.245 10 0 BEAERN CCn1ccnc1C(=O)[C@@]1(C)CCCS1 ZINC000160161214 353359646 /nfs/dbraw/zinc/35/96/46/353359646.db2.gz TUNFJOCDLWTFBD-LLVKDONJSA-N 0 0 224.329 2.371 10 0 BEAERN COc1ccc([C@]2(C)CCC(=O)O2)cc1 ZINC000049813396 188326857 /nfs/dbraw/zinc/32/68/57/188326857.db2.gz QOJMQJHAHFTOGD-LBPRGKRZSA-N 0 0 206.241 2.247 10 0 BEAERN CC(C)(C)[C@H](O)CNc1ccnc(C2CC2)n1 ZINC000112334562 188327113 /nfs/dbraw/zinc/32/71/13/188327113.db2.gz ILYVLMQDQCVTDR-SNVBAGLBSA-N 0 0 235.331 2.173 10 0 BEAERN CC(C)CC(=O)NCC(=O)c1ccccc1 ZINC000049817091 188327533 /nfs/dbraw/zinc/32/75/33/188327533.db2.gz PSOBMBYVDVOXOJ-UHFFFAOYSA-N 0 0 219.284 2.032 10 0 BEAERN CC(C)N(C)C(=O)N[C@H]1COc2ccccc21 ZINC000121897758 188329048 /nfs/dbraw/zinc/32/90/48/188329048.db2.gz LBPPXCOVPXZFGC-NSHDSACASA-N 0 0 234.299 2.170 10 0 BEAERN CC(C)(O)CSCCNc1cccc(F)n1 ZINC000301316509 188336700 /nfs/dbraw/zinc/33/67/00/188336700.db2.gz NSYDGOJAKCYCEF-UHFFFAOYSA-N 0 0 244.335 2.137 10 0 BEAERN C/C=C/CSCC(=O)NC(C)(C)C ZINC000108415081 188337499 /nfs/dbraw/zinc/33/74/99/188337499.db2.gz IGGWWGIBZJMYHJ-AATRIKPKSA-N 0 0 201.335 2.210 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@H+](C)C1CCCCC1 ZINC000011799111 188339362 /nfs/dbraw/zinc/33/93/62/188339362.db2.gz YCHPYGDHSBEPPI-LLVKDONJSA-N 0 0 213.321 2.360 10 0 BEAERN CN(C)NCc1cc(F)cc(Br)c1 ZINC000214813920 353390651 /nfs/dbraw/zinc/39/06/51/353390651.db2.gz BKVSEVNQYQHUIV-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN CC1(C)CCN(c2ncccc2C=O)C1 ZINC000232780176 353393568 /nfs/dbraw/zinc/39/35/68/353393568.db2.gz GXOLQOXJQYOXMD-UHFFFAOYSA-N 0 0 204.273 2.130 10 0 BEAERN CC(=O)CCS(=O)(=O)c1ccc(C)cc1C ZINC000011896084 188340827 /nfs/dbraw/zinc/34/08/27/188340827.db2.gz YYCXIACGQQRDEL-UHFFFAOYSA-N 0 0 240.324 2.056 10 0 BEAERN CNc1ccnc(-c2ncc(Cl)s2)n1 ZINC000223222515 353368302 /nfs/dbraw/zinc/36/83/02/353368302.db2.gz LVEICXDMHNSGLY-UHFFFAOYSA-N 0 0 226.692 2.295 10 0 BEAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1C1CCC1 ZINC000165501871 353374101 /nfs/dbraw/zinc/37/41/01/353374101.db2.gz YEVXHDHKJZRXOG-DLOVCJGASA-N 0 0 248.326 2.134 10 0 BEAERN CC(=O)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000019410866 188349532 /nfs/dbraw/zinc/34/95/32/188349532.db2.gz QEWBFGXTKOFMGS-LLVKDONJSA-N 0 0 219.284 2.185 10 0 BEAERN CC1(C)C[C@H]1C(=O)Nc1ccnc(Cl)n1 ZINC000232784099 353418481 /nfs/dbraw/zinc/41/84/81/353418481.db2.gz RGTHTJZPGFFUMH-LURJTMIESA-N 0 0 225.679 2.115 10 0 BEAERN CC[C@@H](C(=O)C1CC1)C(=O)C(C)(F)F ZINC000308508254 538116858 /nfs/dbraw/zinc/11/68/58/538116858.db2.gz AWCZWSVNCLZMKR-ZETCQYMHSA-N 0 0 204.216 2.216 10 0 BEAERN CC(C)(SCC[NH+]1CCCCC1)C(=O)[O-] ZINC000058253571 188359299 /nfs/dbraw/zinc/35/92/99/188359299.db2.gz KWCQPDBPVSZXJH-UHFFFAOYSA-N 0 0 231.361 2.069 10 0 BEAERN CC(C)CC[C@@](C)(O)CNC(=O)N(C)C(C)C ZINC000190783187 353416279 /nfs/dbraw/zinc/41/62/79/353416279.db2.gz UTXUWDQQSRSOAX-CYBMUJFWSA-N 0 0 244.379 2.223 10 0 BEAERN O=C1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000300968183 363231718 /nfs/dbraw/zinc/23/17/18/363231718.db2.gz QHYOEDHFQDZMNZ-VIFPVBQESA-N 0 0 217.259 2.087 10 0 BEAERN Cc1cn(CCCOCc2ccccc2)nc1N ZINC000309870827 538117712 /nfs/dbraw/zinc/11/77/12/538117712.db2.gz QTDSSLNSEAMVJP-UHFFFAOYSA-N 0 0 245.326 2.381 10 0 BEAERN O=C(c1csnn1)c1cccc(F)c1F ZINC000160193361 353511766 /nfs/dbraw/zinc/51/17/66/353511766.db2.gz PCGRVNFKTOIYCJ-UHFFFAOYSA-N 0 0 226.207 2.047 10 0 BEAERN CC1([NH2+][C@@H]2CC[C@@H]2C(=O)[O-])CCCCC1 ZINC000232810738 353576632 /nfs/dbraw/zinc/57/66/32/353576632.db2.gz PZDJFNDHSQRQNR-VHSXEESVSA-N 0 0 211.305 2.162 10 0 BEAERN Cc1c[nH]c(=S)n1[C@H]1CCSC1 ZINC000231374936 353591743 /nfs/dbraw/zinc/59/17/43/353591743.db2.gz MWGPNKFVTYJNQC-ZETCQYMHSA-N 0 0 200.332 2.158 10 0 BEAERN CCc1nc(C)cc(N[C@](C)(CC)CCO)n1 ZINC000287958374 353594736 /nfs/dbraw/zinc/59/47/36/353594736.db2.gz SQUPGOVRQWGSQD-CYBMUJFWSA-N 0 0 237.347 2.310 10 0 BEAERN CCOC(=O)c1cccnc1N[C@@H]1C[C@H]1CC ZINC000231037287 353554058 /nfs/dbraw/zinc/55/40/58/353554058.db2.gz HKMVWABUUCPENL-MWLCHTKSSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1cccnc1N[C@H]1C[C@H]1CC ZINC000231037290 353554189 /nfs/dbraw/zinc/55/41/89/353554189.db2.gz HKMVWABUUCPENL-KOLCDFICSA-N 0 0 234.299 2.469 10 0 BEAERN CC1(CNc2nc(Cl)nc(Cl)n2)CC1 ZINC000232821875 353625137 /nfs/dbraw/zinc/62/51/37/353625137.db2.gz KITUQSBXMMFZFL-UHFFFAOYSA-N 0 0 233.102 2.390 10 0 BEAERN CC(C)(O)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000300972908 363244542 /nfs/dbraw/zinc/24/45/42/363244542.db2.gz QZIOFHPXDLPILH-ZETCQYMHSA-N 0 0 206.232 2.152 10 0 BEAERN C[C@@H](O)CNc1c(F)cccc1Br ZINC000232125665 353691784 /nfs/dbraw/zinc/69/17/84/353691784.db2.gz FUZOWKSFWUPUPV-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN C[C@H]1SCCC[C@@H]1Nc1cnns1 ZINC000232290897 353705964 /nfs/dbraw/zinc/70/59/64/353705964.db2.gz OFWZOOBDNIXDNQ-RQJHMYQMSA-N 0 0 215.347 2.234 10 0 BEAERN Fc1cccc(F)c1-n1nnc2cccnc21 ZINC000169320988 181000297 /nfs/dbraw/zinc/00/02/97/181000297.db2.gz XAXRQKLLSULHDH-UHFFFAOYSA-N 0 0 232.193 2.094 10 0 BEAERN Fc1cccc(N[C@@H]2C[C@H]3OCCC[C@@H]23)n1 ZINC000302604008 181001769 /nfs/dbraw/zinc/00/17/69/181001769.db2.gz ZHEXOJACFYWNNE-IVZWLZJFSA-N 0 0 222.263 2.200 10 0 BEAERN Fc1cccc(NCc2ccncc2)n1 ZINC000040711970 181002375 /nfs/dbraw/zinc/00/23/75/181002375.db2.gz DKDMMXJKAGYRMX-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1cccc(OCCCn2ccnc2)c1 ZINC000041233767 181003017 /nfs/dbraw/zinc/00/30/17/181003017.db2.gz LOHJNEREEJMCND-UHFFFAOYSA-N 0 0 220.247 2.491 10 0 BEAERN CC(C)[C@@H](C)Sc1nc(N)nc(Cl)n1 ZINC000232835638 353727041 /nfs/dbraw/zinc/72/70/41/353727041.db2.gz IRKUMSQZEVXFJP-RXMQYKEDSA-N 0 0 232.740 2.244 10 0 BEAERN C[C@H](O)CNc1nc2cc(Cl)ccc2[nH]1 ZINC000026474110 353797206 /nfs/dbraw/zinc/79/72/06/353797206.db2.gz FKHULXLAMAWWST-LURJTMIESA-N 0 0 225.679 2.009 10 0 BEAERN CNc1nc2ccc(C)cc2cc1C=O ZINC000218919109 353803984 /nfs/dbraw/zinc/80/39/84/353803984.db2.gz ZFHUCNMZYJZVCZ-UHFFFAOYSA-N 0 0 200.241 2.397 10 0 BEAERN Fc1cccnc1NCC[C@H]1CCCO1 ZINC000054700700 181016017 /nfs/dbraw/zinc/01/60/17/181016017.db2.gz MGZFBYYCKIBDMZ-SECBINFHSA-N 0 0 210.252 2.202 10 0 BEAERN CC1(C)C[C@@H]1C(=O)Nc1nccnc1Cl ZINC000232853723 353814084 /nfs/dbraw/zinc/81/40/84/353814084.db2.gz BVTYWCYDNJBJIB-ZCFIWIBFSA-N 0 0 225.679 2.115 10 0 BEAERN Fc1cnc(-c2ccccn2)nc1Cl ZINC000071864120 181017131 /nfs/dbraw/zinc/01/71/31/181017131.db2.gz XTWUJSDSBJYPKV-UHFFFAOYSA-N 0 0 209.611 2.331 10 0 BEAERN CCC[C@H]1C[C@@H]1NC1N=NC(=S)S1 ZINC000233448587 353816412 /nfs/dbraw/zinc/81/64/12/353816412.db2.gz KPOBNMOMWGSCKG-WDSKDSINSA-N 0 0 215.347 2.427 10 0 BEAERN Fc1cnc(N2CC[C@H]3CCCC[C@@H]32)nc1 ZINC000301765882 181017419 /nfs/dbraw/zinc/01/74/19/181017419.db2.gz HYOLCAGFPIKFAN-KOLCDFICSA-N 0 0 221.279 2.385 10 0 BEAERN Fc1cnc2[nH]c(C(F)(F)F)nc2c1 ZINC000074327128 181019113 /nfs/dbraw/zinc/01/91/13/181019113.db2.gz GEEASDIRXCXJHZ-UHFFFAOYSA-N 0 0 205.114 2.116 10 0 BEAERN Fc1cnc2[nH]ccc2c1-c1cn[nH]c1 ZINC000095937026 181020069 /nfs/dbraw/zinc/02/00/69/181020069.db2.gz IVJUBMAXESEUJZ-UHFFFAOYSA-N 0 0 202.192 2.092 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)cc1O ZINC000334539050 353926977 /nfs/dbraw/zinc/92/69/77/353926977.db2.gz PYVWQDODEKITJN-VXGBXAGGSA-N 0 0 231.295 2.325 10 0 BEAERN CC1CCN(C(=O)N2C[C@@H]3CCC[C@H]32)CC1 ZINC000334554841 353999572 /nfs/dbraw/zinc/99/95/72/353999572.db2.gz AQAFSRBABJHIRX-NWDGAFQWSA-N 0 0 222.332 2.323 10 0 BEAERN Cc1cn([C@H]2CCOC[C@@H]2C)c(=S)[nH]1 ZINC000301028274 363340875 /nfs/dbraw/zinc/34/08/75/363340875.db2.gz QGRBIPVSMMYLAE-CBAPKCEASA-N 0 0 212.318 2.078 10 0 BEAERN Nc1nnc([C@H]2CCC(F)(F)C2)s1 ZINC000301042610 363369417 /nfs/dbraw/zinc/36/94/17/363369417.db2.gz ZYUNYYXUAPFENS-BYPYZUCNSA-N 0 0 205.233 2.023 10 0 BEAERN Cc1cccc(N2CC3(CCC3)[C@H]3COC[C@H]32)n1 ZINC000334730286 354530208 /nfs/dbraw/zinc/53/02/08/354530208.db2.gz IEZKZZDJNDPPCN-QWHCGFSZSA-N 0 0 244.338 2.395 10 0 BEAERN Cc1ccnc(N2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000334732019 354532178 /nfs/dbraw/zinc/53/21/78/354532178.db2.gz ZCILTVMKTRSZOH-QWHCGFSZSA-N 0 0 244.338 2.395 10 0 BEAERN CC(C)c1cnc(N2C[C@@H](C)C[C@H](O)C2)s1 ZINC000334812004 354569166 /nfs/dbraw/zinc/56/91/66/354569166.db2.gz FRSJNQATNBETCU-UWVGGRQHSA-N 0 0 240.372 2.474 10 0 BEAERN C[C@H]1CN(C(=O)[C@@H]2CCCCS2)CCS1 ZINC000335125100 354767451 /nfs/dbraw/zinc/76/74/51/354767451.db2.gz QAQJRCUXJCQISA-UWVGGRQHSA-N 0 0 245.413 2.236 10 0 BEAERN CC[C@H](C)NC(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000346048175 354844179 /nfs/dbraw/zinc/84/41/79/354844179.db2.gz NCLBNJCSIKTIFT-HBNTYKKESA-N 0 0 242.363 2.288 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)c(C)n1 ZINC000335145020 354853843 /nfs/dbraw/zinc/85/38/43/354853843.db2.gz ZOONVQYZFZEKFQ-YPMHNXCESA-N 0 0 230.311 2.323 10 0 BEAERN CNc1ccnc2cc(Br)cnc21 ZINC000130600346 363435591 /nfs/dbraw/zinc/43/55/91/363435591.db2.gz NTXILVPOIXYBBR-UHFFFAOYSA-N 0 0 238.088 2.434 10 0 BEAERN COc1cccc(NC[C@@](C)(O)C(F)(F)F)c1 ZINC000383687820 354961986 /nfs/dbraw/zinc/96/19/86/354961986.db2.gz PZVNTHGQIUALTM-SNVBAGLBSA-N 0 0 249.232 2.420 10 0 BEAERN Cc1csc(NC(=O)N2C[C@H]3CCC[C@@H]32)n1 ZINC000335220043 355059750 /nfs/dbraw/zinc/05/97/50/355059750.db2.gz MYLWXVHJOGEPHS-BDAKNGLRSA-N 0 0 237.328 2.468 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(CCO)cc1 ZINC000002540671 355215357 /nfs/dbraw/zinc/21/53/57/355215357.db2.gz ODBQGWBBJACQND-UHFFFAOYSA-N 0 0 222.284 2.177 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1C[C@H]1C ZINC000413058020 191351611 /nfs/dbraw/zinc/35/16/11/191351611.db2.gz ZIVMEERQOMRBPT-ZJUUUORDSA-N 0 0 205.305 2.090 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000413544763 191394923 /nfs/dbraw/zinc/39/49/23/191394923.db2.gz YWKOUYZFLKNXMD-UTUOFQBUSA-N 0 0 249.358 2.247 10 0 BEAERN CSCCCCNC(=O)NC1CCCC1 ZINC000125061918 324630544 /nfs/dbraw/zinc/63/05/44/324630544.db2.gz FHNIPVHJHSAJST-UHFFFAOYSA-N 0 0 230.377 2.371 10 0 BEAERN COCCC1(CNc2nccnc2C(C)C)CC1 ZINC000413195297 191362286 /nfs/dbraw/zinc/36/22/86/191362286.db2.gz MUYSWADSFGDRSL-UHFFFAOYSA-N 0 0 249.358 2.251 10 0 BEAERN CC[C@@H](O)CCNc1nccnc1C(C)C ZINC000413204549 191363161 /nfs/dbraw/zinc/36/31/61/191363161.db2.gz PUCJFJCCOXZNLR-SNVBAGLBSA-N 0 0 223.320 2.173 10 0 BEAERN CC(C)c1nccnc1NCCC[C@@H](C)O ZINC000413259380 191366741 /nfs/dbraw/zinc/36/67/41/191366741.db2.gz DDDPGXCEHZDUMJ-SNVBAGLBSA-N 0 0 223.320 2.173 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CCSC1 ZINC000413259987 191367161 /nfs/dbraw/zinc/36/71/61/191367161.db2.gz FAJGOMQTWGITRK-JTQLQIEISA-N 0 0 237.372 2.187 10 0 BEAERN CC[C@@](C)(CNc1nccnc1C(C)C)OC ZINC000413309885 191371801 /nfs/dbraw/zinc/37/18/01/191371801.db2.gz GGGSDAVSVRIRBN-ZDUSSCGKSA-N 0 0 237.347 2.249 10 0 BEAERN COc1cc(O)c(F)c(Br)c1 ZINC000215838122 355371436 /nfs/dbraw/zinc/37/14/36/355371436.db2.gz MNERTPREHQGIDK-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN Cc1ccc([C@@H](NN)C(F)F)c(C)c1 ZINC000229800679 355372347 /nfs/dbraw/zinc/37/23/47/355372347.db2.gz DPOKTVDFSRAPBK-SECBINFHSA-N 0 0 200.232 2.073 10 0 BEAERN N=C(N)c1nc(-c2ccccc2)cs1 ZINC000075847700 181197976 /nfs/dbraw/zinc/19/79/76/181197976.db2.gz XJJWFMZGMOSXIL-UHFFFAOYSA-N 0 0 203.270 2.094 10 0 BEAERN CCCNc1ncnc(NC)c1Br ZINC000233199462 355645325 /nfs/dbraw/zinc/64/53/25/355645325.db2.gz DFGKTRNFMVVFBR-UHFFFAOYSA-N 0 0 245.124 2.103 10 0 BEAERN COc1cccc([C@]2(O)CCCSC2)c1 ZINC000084423264 355653615 /nfs/dbraw/zinc/65/36/15/355653615.db2.gz USAOKHPFKSORSC-LBPRGKRZSA-N 0 0 224.325 2.410 10 0 BEAERN O=C(c1ccc(F)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000335871508 355637745 /nfs/dbraw/zinc/63/77/45/355637745.db2.gz BORAPCAHSFBJGA-JQWIXIFHSA-N 0 0 219.259 2.450 10 0 BEAERN N=C(Oc1ccccc1)n1nnc2ccccc21 ZINC000090410955 181206159 /nfs/dbraw/zinc/20/61/59/181206159.db2.gz CXYBIWDNXGNUKD-UHFFFAOYSA-N 0 0 238.250 2.293 10 0 BEAERN CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000350731497 355751745 /nfs/dbraw/zinc/75/17/45/355751745.db2.gz ATWLDDKCAMWLGD-WDEREUQCSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H](O)[C@H](O)c1cccc(Cl)c1Cl ZINC000113397388 355888550 /nfs/dbraw/zinc/88/85/50/355888550.db2.gz FLKWPERUUCNAAU-ANLVUFKYSA-N 0 0 221.083 2.408 10 0 BEAERN O=C([C@@H]1CC12CCCCC2)N1CCCOCC1 ZINC000336075846 134073093 /nfs/dbraw/zinc/07/30/93/134073093.db2.gz VMORCGSOBMHUAT-LBPRGKRZSA-N 0 0 237.343 2.206 10 0 BEAERN NC(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC000033434279 181226246 /nfs/dbraw/zinc/22/62/46/181226246.db2.gz NRFMQOUIDGNXBF-UHFFFAOYSA-N 0 0 234.082 2.248 10 0 BEAERN NC(=O)CCOc1cccc(Cl)c1Cl ZINC000033434276 181226298 /nfs/dbraw/zinc/22/62/98/181226298.db2.gz SQSNEEAOQLOKLY-UHFFFAOYSA-N 0 0 234.082 2.248 10 0 BEAERN NC(=O)C[C@@H]1CCc2ccc(Cl)cc21 ZINC000041219132 181243768 /nfs/dbraw/zinc/24/37/68/181243768.db2.gz XLPJTXSMPSCMLT-QMMMGPOBSA-N 0 0 209.676 2.245 10 0 BEAERN NC(=O)C[C@H]1CCc2c1cccc2Cl ZINC000041219136 181246260 /nfs/dbraw/zinc/24/62/60/181246260.db2.gz IEKXNEYIKUHECK-SSDOTTSWSA-N 0 0 209.676 2.245 10 0 BEAERN NC(=O)Nc1ccc(N[C@@H]2CCSC2)cc1 ZINC000037136363 181262499 /nfs/dbraw/zinc/26/24/99/181262499.db2.gz CURDJCUHNALDGM-SNVBAGLBSA-N 0 0 237.328 2.095 10 0 BEAERN NC(=O)OCC1C2CC3CC(C2)CC1C3 ZINC000048520949 181264061 /nfs/dbraw/zinc/26/40/61/181264061.db2.gz IYDIBVFFOUDYDY-UHFFFAOYSA-N 0 0 209.289 2.154 10 0 BEAERN NC(=O)[C@@H](Nc1ccc(Cl)cc1)C1CC1 ZINC000041047423 181266791 /nfs/dbraw/zinc/26/67/91/181266791.db2.gz SOPRUXFLNCHESR-JTQLQIEISA-N 0 0 224.691 2.016 10 0 BEAERN O=C(CN1C[C@H]2CCC[C@@H]21)c1ccccc1F ZINC000639538470 356391021 /nfs/dbraw/zinc/39/10/21/356391021.db2.gz PDYXKHTYVFDEAE-MFKMUULPSA-N 0 0 233.286 2.493 10 0 BEAERN CC[N@@H+]1CCC[C@@H](Nc2ccc(F)cn2)C1 ZINC000041045452 358505216 /nfs/dbraw/zinc/50/52/16/358505216.db2.gz LLSKDLFXCKWESJ-LLVKDONJSA-N 0 0 223.295 2.117 10 0 BEAERN COc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)c(O)c1 ZINC000336143815 134101270 /nfs/dbraw/zinc/10/12/70/134101270.db2.gz YTSVPBQTWNFTCK-BXKDBHETSA-N 0 0 247.294 2.025 10 0 BEAERN Cc1cc(N2CCC23CCC3)nc(C)n1 ZINC000336148031 134103026 /nfs/dbraw/zinc/10/30/26/134103026.db2.gz PYFWYTQJSCCKGE-UHFFFAOYSA-N 0 0 203.289 2.226 10 0 BEAERN Cn1ccnc1Sc1nsnc1Cl ZINC000035232212 356422882 /nfs/dbraw/zinc/42/28/82/356422882.db2.gz HUOIFXXEEKVGSO-UHFFFAOYSA-N 0 0 232.721 2.076 10 0 BEAERN Cc1ccc(CNCc2ccccn2)nc1 ZINC000087782055 491092007 /nfs/dbraw/zinc/09/20/07/491092007.db2.gz VORMZOXDFGKMRR-UHFFFAOYSA-N 0 0 213.284 2.075 10 0 BEAERN Cc1cc(Br)c([N+](=O)[O-])cc1C=O ZINC000145926101 356481696 /nfs/dbraw/zinc/48/16/96/356481696.db2.gz BOCKCHHCYWRZGM-UHFFFAOYSA-N 0 0 244.044 2.478 10 0 BEAERN Cc1ccc([N+](=O)[O-])nc1Br ZINC000145653212 356481990 /nfs/dbraw/zinc/48/19/90/356481990.db2.gz APWJAJSLWVVADG-UHFFFAOYSA-N 0 0 217.022 2.061 10 0 BEAERN CCOP(=O)(OCC)[C@@](C)(O)CC ZINC000003138047 356469202 /nfs/dbraw/zinc/46/92/02/356469202.db2.gz QOASWXCRZUYTOP-MRVPVSSYSA-N 0 0 210.210 2.371 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)c1cccc(F)c1 ZINC000037941785 181277741 /nfs/dbraw/zinc/27/77/41/181277741.db2.gz JDBPOXHGZSHDNZ-CYBMUJFWSA-N 0 0 244.269 2.464 10 0 BEAERN CC1(C)CC[C@H](CN2CC(C(F)(F)F)C2)O1 ZINC000336189053 134122611 /nfs/dbraw/zinc/12/26/11/134122611.db2.gz YBKVKWRKPPVCGI-SECBINFHSA-N 0 0 237.265 2.438 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000613537506 363477290 /nfs/dbraw/zinc/47/72/90/363477290.db2.gz FEYSVVUVOJIWGY-GHMZBOCLSA-N 0 0 243.310 2.345 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000613537818 363479078 /nfs/dbraw/zinc/47/90/78/363479078.db2.gz JIWFSKGSEFHCIU-OLZOCXBDSA-N 0 0 242.322 2.372 10 0 BEAERN CC1(C)CN(C(=O)OCc2ccccc2)CC1=O ZINC000115448570 370663464 /nfs/dbraw/zinc/66/34/64/370663464.db2.gz NSXMOCLPUSHETI-UHFFFAOYSA-N 0 0 247.294 2.234 10 0 BEAERN CCCCN(C)C(=O)c1cccc(N)c1C ZINC000019392899 168766282 /nfs/dbraw/zinc/76/62/82/168766282.db2.gz DVPBVXBLYAFKPQ-UHFFFAOYSA-N 0 0 220.316 2.449 10 0 BEAERN CCc1nc(CNc2ncns2)cs1 ZINC000302518298 356619911 /nfs/dbraw/zinc/61/99/11/356619911.db2.gz ANPFYBQFWMZISU-UHFFFAOYSA-N 0 0 226.330 2.169 10 0 BEAERN O=Cc1cncc(-c2ccccc2C=O)c1 ZINC000675057643 538479749 /nfs/dbraw/zinc/47/97/49/538479749.db2.gz GSKANYXUBAYNBP-UHFFFAOYSA-N 0 0 211.220 2.374 10 0 BEAERN O=Cc1ccc(-c2cncc(C=O)c2)cc1 ZINC000675058014 538480449 /nfs/dbraw/zinc/48/04/49/538480449.db2.gz PNBLWGTWJMIYLR-UHFFFAOYSA-N 0 0 211.220 2.374 10 0 BEAERN Nc1c(F)ccc(-c2cncc(C=O)c2)c1F ZINC000675059290 538482878 /nfs/dbraw/zinc/48/28/78/538482878.db2.gz MSQJJACPBIAGCR-UHFFFAOYSA-N 0 0 234.205 2.422 10 0 BEAERN CCOc1ccc(NC(C)=O)c2c1CCCN2 ZINC000675051423 538474427 /nfs/dbraw/zinc/47/44/27/538474427.db2.gz KAKIWZJKRTZJFC-UHFFFAOYSA-N 0 0 234.299 2.402 10 0 BEAERN CCOC(=O)c1c(C=O)occ1C1CC1 ZINC000675051428 538474642 /nfs/dbraw/zinc/47/46/42/538474642.db2.gz KIPVLFGNWKEQKX-UHFFFAOYSA-N 0 0 208.213 2.146 10 0 BEAERN Cn1nc2c3cccc(Cl)c3[nH]cc-2c1=O ZINC000026507542 363537828 /nfs/dbraw/zinc/53/78/28/363537828.db2.gz WJLYTJLYGROIOD-UHFFFAOYSA-N 0 0 233.658 2.068 10 0 BEAERN CCc1cn2c(n1)[C@H](C(F)(F)F)NCCC2 ZINC000675067929 538496000 /nfs/dbraw/zinc/49/60/00/538496000.db2.gz LFYBHQSVRNACTL-MRVPVSSYSA-N 0 0 233.237 2.042 10 0 BEAERN C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000675059821 538485440 /nfs/dbraw/zinc/48/54/40/538485440.db2.gz NMAKUUUZVLYBOE-QNWJLWSRSA-N 0 0 239.359 2.369 10 0 BEAERN O=C([O-])[C@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 ZINC000675060153 538485798 /nfs/dbraw/zinc/48/57/98/538485798.db2.gz SNNFZXPLKYJSIO-GHMZBOCLSA-N 0 0 211.305 2.020 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 ZINC000675060155 538485918 /nfs/dbraw/zinc/48/59/18/538485918.db2.gz SNNFZXPLKYJSIO-MNOVXSKESA-N 0 0 211.305 2.020 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](C2CCCCCC2)C[NH2+]1 ZINC000675060083 538485995 /nfs/dbraw/zinc/48/59/95/538485995.db2.gz RQJBFHQJVGBEBI-NWDGAFQWSA-N 0 0 225.332 2.410 10 0 BEAERN CCC[C@H]1CCc2c(c[nH+]c(N)c2C(=O)[O-])C1 ZINC000675063765 538489998 /nfs/dbraw/zinc/48/99/98/538489998.db2.gz NYOIPPLJVRNNHP-QMMMGPOBSA-N 0 0 234.299 2.267 10 0 BEAERN CN(c1cncc(F)c1C=O)C(C)(C)C ZINC000675063766 538490222 /nfs/dbraw/zinc/49/02/22/538490222.db2.gz OBYGSMDMCIRZBO-UHFFFAOYSA-N 0 0 210.252 2.268 10 0 BEAERN O=Cc1ccc(N2CCC23CCC3)nc1 ZINC000675064956 538491940 /nfs/dbraw/zinc/49/19/40/538491940.db2.gz YKSWHHVJWQDALO-UHFFFAOYSA-N 0 0 202.257 2.027 10 0 BEAERN COC(=O)[C@@H]1CCCCN1c1ccc(C=O)cc1 ZINC000675067780 538495317 /nfs/dbraw/zinc/49/53/17/538495317.db2.gz JKWDJLIVCRPOHY-ZDUSSCGKSA-N 0 0 247.294 2.031 10 0 BEAERN CCC[C@H]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000083438251 538499124 /nfs/dbraw/zinc/49/91/24/538499124.db2.gz PUFBSPZUCPKIRH-UWVGGRQHSA-N 0 0 219.350 2.024 10 0 BEAERN CCC[C@@H]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000083438252 538499447 /nfs/dbraw/zinc/49/94/47/538499447.db2.gz PUFBSPZUCPKIRH-NXEZZACHSA-N 0 0 219.350 2.024 10 0 BEAERN Cn1ncc(N)c1-c1cccc(OC(F)F)c1 ZINC000675070159 538500146 /nfs/dbraw/zinc/50/01/46/538500146.db2.gz MQUNUEXWMTZNFI-UHFFFAOYSA-N 0 0 239.225 2.271 10 0 BEAERN C[C@H](C(=O)NCc1csc(N)n1)C(C)(C)C ZINC000675072859 538504342 /nfs/dbraw/zinc/50/43/42/538504342.db2.gz IVSOWVBKOVKUAV-SSDOTTSWSA-N 0 0 241.360 2.024 10 0 BEAERN COC(=O)c1nc(N[C@H]2C[C@H]2C)sc1C ZINC000167761889 134153660 /nfs/dbraw/zinc/15/36/60/134153660.db2.gz PSNXKWAARNJIMB-VDTYLAMSSA-N 0 0 226.301 2.058 10 0 BEAERN Clc1ccc(-c2cnn3cccnc23)cn1 ZINC000675074060 538507123 /nfs/dbraw/zinc/50/71/23/538507123.db2.gz WWBDJGQNMUHHBP-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN CCC(CC)Nc1nc(Cl)ncc1N ZINC000088384312 356666358 /nfs/dbraw/zinc/66/63/58/356666358.db2.gz ZVAFSYSVWUMNOU-UHFFFAOYSA-N 0 0 214.700 2.313 10 0 BEAERN COc1ncccc1-c1cc(Cl)cnc1N ZINC000380550761 356667836 /nfs/dbraw/zinc/66/78/36/356667836.db2.gz JSTPIJKYXXWUQY-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 BEAERN O=C(CC1CC1)[C@@H]1Cc2ccc(F)cc2O1 ZINC000675080311 538519485 /nfs/dbraw/zinc/51/94/85/538519485.db2.gz BVBQVAFAIYCYCW-ZDUSSCGKSA-N 0 0 220.243 2.498 10 0 BEAERN CCOC(=O)[C@@H]1OC12CCC(C)(C)CC2 ZINC000084324408 538530736 /nfs/dbraw/zinc/53/07/36/538530736.db2.gz YGEHNXIXXOHWBU-VIFPVBQESA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC[C@H](C)[C@@H]2C ZINC000084324753 538532251 /nfs/dbraw/zinc/53/22/51/538532251.db2.gz ZQQPYUNJELPDPA-GMOBBJLQSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)C[C@H]1CCNc2c(F)cccc21 ZINC000084782720 538534513 /nfs/dbraw/zinc/53/45/13/538534513.db2.gz IHDJWBQPFYQYQV-MRVPVSSYSA-N 0 0 223.247 2.288 10 0 BEAERN Cc1cccc(C(=O)CSCCCO)c1 ZINC000085163966 538536487 /nfs/dbraw/zinc/53/64/87/538536487.db2.gz GTEOVTFSVBAXPF-UHFFFAOYSA-N 0 0 224.325 2.293 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]12CCCC(C)(C)C2 ZINC000085657825 538543726 /nfs/dbraw/zinc/54/37/26/538543726.db2.gz OJWMMIVGYDUMJH-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)OC12CCC(C)(C)CC2 ZINC000085657724 538545218 /nfs/dbraw/zinc/54/52/18/538545218.db2.gz CFMZIOXFLCRZSB-LLVKDONJSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)c1nnc(-c2ccc(C=O)o2)o1 ZINC000675082248 538523516 /nfs/dbraw/zinc/52/35/16/538523516.db2.gz GBPULBJUVCPVPP-UHFFFAOYSA-N 0 0 206.201 2.266 10 0 BEAERN Fc1ccc(-c2nnc(C3CC3)o2)cn1 ZINC000675082663 538523744 /nfs/dbraw/zinc/52/37/44/538523744.db2.gz UHTZFEYFQDGCOL-UHFFFAOYSA-N 0 0 205.192 2.148 10 0 BEAERN O=Cc1ccccc1-c1nnc(C(F)F)o1 ZINC000675082659 538524317 /nfs/dbraw/zinc/52/43/17/538524317.db2.gz TUWHOTIJKAOKGR-UHFFFAOYSA-N 0 0 224.166 2.487 10 0 BEAERN CCOC[C@H](O)CCCc1ccccc1 ZINC000084063454 538527220 /nfs/dbraw/zinc/52/72/20/538527220.db2.gz LAQWGPFFIPCFNI-CYBMUJFWSA-N 0 0 208.301 2.407 10 0 BEAERN CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000111599343 166458631 /nfs/dbraw/zinc/45/86/31/166458631.db2.gz SPJGROWIUYYIJX-UFBFGSQYSA-N 0 0 217.268 2.027 10 0 BEAERN Nc1c(F)ccc(-c2ncccn2)c1F ZINC000225760123 538603637 /nfs/dbraw/zinc/60/36/37/538603637.db2.gz FXCZOJLQRYGNMC-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN CC1(C)CN(c2ccc(C=O)o2)CC(C)(C)O1 ZINC000226430766 538610511 /nfs/dbraw/zinc/61/05/11/538610511.db2.gz RXSGQJWMWSQGKK-UHFFFAOYSA-N 0 0 237.299 2.486 10 0 BEAERN CCOC(=O)c1noc([C@@H]2CCC[C@@H]2C)n1 ZINC000226696433 538613548 /nfs/dbraw/zinc/61/35/48/538613548.db2.gz UUUHJSMQNGBSJD-JGVFFNPUSA-N 0 0 224.260 2.150 10 0 BEAERN Brc1cnn2c1nccc2C1CC1 ZINC000217064596 538646911 /nfs/dbraw/zinc/64/69/11/538646911.db2.gz PQQUAKJBJIINRH-UHFFFAOYSA-N 0 0 238.088 2.369 10 0 BEAERN Brc1cc(OCC2CC2)ncn1 ZINC000160434026 356971859 /nfs/dbraw/zinc/97/18/59/356971859.db2.gz JQDQNWSMIVNIOE-UHFFFAOYSA-N 0 0 229.077 2.028 10 0 BEAERN CCCOc1cc(Br)ncn1 ZINC000160445625 356978547 /nfs/dbraw/zinc/97/85/47/356978547.db2.gz NTMIHEDBRSOYRC-UHFFFAOYSA-N 0 0 217.066 2.028 10 0 BEAERN CN(C)c1cc(Br)nc(C2CC2)n1 ZINC000160513726 357027864 /nfs/dbraw/zinc/02/78/64/357027864.db2.gz HXVUQMMKHYIPGZ-UHFFFAOYSA-N 0 0 242.120 2.183 10 0 BEAERN CCNc1cc(Br)nc(CC)n1 ZINC000160527482 357036039 /nfs/dbraw/zinc/03/60/39/357036039.db2.gz FPXIGNZQTOXXPO-UHFFFAOYSA-N 0 0 230.109 2.233 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000119110505 357009579 /nfs/dbraw/zinc/00/95/79/357009579.db2.gz RVGVESIZYNESII-IJLUTSLNSA-N 0 0 237.343 2.203 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000119110418 357009740 /nfs/dbraw/zinc/00/97/40/357009740.db2.gz RVGVESIZYNESII-UTUOFQBUSA-N 0 0 237.343 2.203 10 0 BEAERN COc1nn(C)cc1N[C@H](C(C)C)C1CC1 ZINC000390639152 357109211 /nfs/dbraw/zinc/10/92/11/357109211.db2.gz MMNLKPGEGNHTGU-LLVKDONJSA-N 0 0 223.320 2.275 10 0 BEAERN Cc1nc(Br)cc(N(C)C2CC2)n1 ZINC000160551109 357059055 /nfs/dbraw/zinc/05/90/55/357059055.db2.gz PACQGDQGPAFYJJ-UHFFFAOYSA-N 0 0 242.120 2.146 10 0 BEAERN CC[C@](C)(O)C(=O)c1ccc(C)c(F)c1 ZINC000223787430 357068030 /nfs/dbraw/zinc/06/80/30/357068030.db2.gz UGUGOYDMPNEYQX-LBPRGKRZSA-N 0 0 210.248 2.478 10 0 BEAERN CCOc1ccc2[nH]c(CC[C@H](C)O)nc2c1 ZINC000026462141 357135719 /nfs/dbraw/zinc/13/57/19/357135719.db2.gz JRSGGVWMLVQNHE-VIFPVBQESA-N 0 0 234.299 2.275 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H](C2CC2)C1 ZINC000399963686 357135736 /nfs/dbraw/zinc/13/57/36/357135736.db2.gz ABANKSWZECRSGH-FVCCEPFGSA-N 0 0 219.328 2.291 10 0 BEAERN Cc1nnc(Sc2csc(C=O)c2)[nH]1 ZINC000160638585 357151528 /nfs/dbraw/zinc/15/15/28/357151528.db2.gz PNQJXWVDIPLBGF-UHFFFAOYSA-N 0 0 225.298 2.138 10 0 BEAERN O=C(CC1CCOCC1)c1cccnc1 ZINC000053763966 357171616 /nfs/dbraw/zinc/17/16/16/357171616.db2.gz ZMANPTKDBLYRJM-UHFFFAOYSA-N 0 0 205.257 2.081 10 0 BEAERN O[C@H](Cc1ccsc1)c1cccnc1 ZINC000053783012 357180062 /nfs/dbraw/zinc/18/00/62/357180062.db2.gz SNTYWVFQOLHPCB-LLVKDONJSA-N 0 0 205.282 2.419 10 0 BEAERN Cc1nc2cc(-c3ccccc3)[nH]c2c(=O)[nH]1 ZINC000005322792 357277725 /nfs/dbraw/zinc/27/77/25/357277725.db2.gz STYBEFOTWSBSIV-UHFFFAOYSA-N 0 0 225.251 2.227 10 0 BEAERN COCCC1(C(=O)N[C@H](C)C(C)C)CCC1 ZINC000157489267 538827454 /nfs/dbraw/zinc/82/74/54/538827454.db2.gz JFLLASZCBULINX-LLVKDONJSA-N 0 0 227.348 2.354 10 0 BEAERN CC(C)OC(=O)CCSC1CCOCC1 ZINC000131441913 325152016 /nfs/dbraw/zinc/15/20/16/325152016.db2.gz RFRFPEZUXADNPK-UHFFFAOYSA-N 0 0 232.345 2.240 10 0 BEAERN CCOC(=O)c1n[nH]nc1-c1cc(C)cs1 ZINC000260933580 538854262 /nfs/dbraw/zinc/85/42/62/538854262.db2.gz HOWXVWYQSGQGQB-UHFFFAOYSA-N 0 0 237.284 2.018 10 0 BEAERN CC(C)CCCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000188230109 357535292 /nfs/dbraw/zinc/53/52/92/357535292.db2.gz BVGLBVHPHVVKAK-NWDGAFQWSA-N 0 0 227.348 2.354 10 0 BEAERN COC(=O)[C@@H](N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000230630154 357542497 /nfs/dbraw/zinc/54/24/97/357542497.db2.gz VIWIETQPBQCMDK-CABZTGNLSA-N 0 0 237.299 2.190 10 0 BEAERN CCC(=CC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)CC ZINC000188538082 357559540 /nfs/dbraw/zinc/55/95/40/357559540.db2.gz CYXJZKYGPJLZEW-UPJWGTAASA-N 0 0 237.343 2.417 10 0 BEAERN Cc1ccc(C)c(C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189074476 357603113 /nfs/dbraw/zinc/60/31/13/357603113.db2.gz LGBLPSKBEGASLP-CYBMUJFWSA-N 0 0 246.354 2.014 10 0 BEAERN CCOC1CC(N[C@@H](C)c2ncc(C)o2)C1 ZINC000231531920 357609441 /nfs/dbraw/zinc/60/94/41/357609441.db2.gz KONXFHDMSYVGHP-WHXUTIOJSA-N 0 0 224.304 2.201 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@H]1CCCO[C@H]1C ZINC000189529732 357642935 /nfs/dbraw/zinc/64/29/35/357642935.db2.gz NZKWVTBDSTUXCF-UWVGGRQHSA-N 0 0 249.301 2.304 10 0 BEAERN CCCN1C(=S)N=NC1C1CC(C)C1 ZINC000685950243 538893453 /nfs/dbraw/zinc/89/34/53/538893453.db2.gz UBOVHEFWIWJXIQ-UHFFFAOYSA-N 0 0 211.334 2.490 10 0 BEAERN FC(F)CN1C(=S)N=NC1c1ccoc1 ZINC000685950288 538893644 /nfs/dbraw/zinc/89/36/44/538893644.db2.gz WDJSUCZYHGXVQK-UHFFFAOYSA-N 0 0 231.227 2.092 10 0 BEAERN CN(c1ccc(N)c(OC(F)F)c1)C1CC1 ZINC000685950713 538894073 /nfs/dbraw/zinc/89/40/73/538894073.db2.gz WMQSXKMIOJNWOL-UHFFFAOYSA-N 0 0 228.242 2.469 10 0 BEAERN CCCC1(CNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000189350047 357633500 /nfs/dbraw/zinc/63/35/00/357633500.db2.gz YDNLELWNWKTMML-RYUDHWBXSA-N 0 0 239.359 2.498 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nc(C(=O)OCC)co1 ZINC000233444308 357723391 /nfs/dbraw/zinc/72/33/91/357723391.db2.gz BYHYTEUSGRJFRB-IUCAKERBSA-N 0 0 238.287 2.452 10 0 BEAERN CCC(CC)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190396772 357696109 /nfs/dbraw/zinc/69/61/09/357696109.db2.gz XAWVEXLQXFKJDR-KOLCDFICSA-N 0 0 213.321 2.106 10 0 BEAERN CCn1cc([C@@H]2CN(CC3CCC3)CCO2)cn1 ZINC000190791815 357731017 /nfs/dbraw/zinc/73/10/17/357731017.db2.gz FXZXJQGDLJZHFI-AWEZNQCLSA-N 0 0 249.358 2.076 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(CC(F)F)C1CC1 ZINC000191431425 357770245 /nfs/dbraw/zinc/77/02/45/357770245.db2.gz OIWCVZVNLDPOQV-PSASIEDQSA-N 0 0 247.285 2.058 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)c(C)c1 ZINC000075528040 325299299 /nfs/dbraw/zinc/29/92/99/325299299.db2.gz BVLKIVIVNVBQGC-PWSUYJOCSA-N 0 0 203.285 2.442 10 0 BEAERN COCCCc1cncc(Br)c1 ZINC000137908230 358017727 /nfs/dbraw/zinc/01/77/27/358017727.db2.gz XZYAXYUIRPNTSM-UHFFFAOYSA-N 0 0 230.105 2.423 10 0 BEAERN C[C@@H](Cl)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000036134227 358011925 /nfs/dbraw/zinc/01/19/25/358011925.db2.gz ZUQFYZUJPUDSRU-KOLCDFICSA-N 0 0 238.718 2.372 10 0 BEAERN Cc1cccc([C@@H](C)NC(=O)CCCCO)c1 ZINC000160321176 358045691 /nfs/dbraw/zinc/04/56/91/358045691.db2.gz MVXSSLOTGDNXKT-GFCCVEGCSA-N 0 0 235.327 2.335 10 0 BEAERN CCC(CC)NC(=O)N(C)[C@@H]1CCSC1 ZINC000133773470 325318178 /nfs/dbraw/zinc/31/81/78/325318178.db2.gz CPZWRHHHJYLZDW-SNVBAGLBSA-N 0 0 230.377 2.322 10 0 BEAERN CCCC(=O)N[C@@H](C)c1csc(C)n1 ZINC000170497165 134254456 /nfs/dbraw/zinc/25/44/56/134254456.db2.gz SHHSGFWUDHGXBD-ZETCQYMHSA-N 0 0 212.318 2.429 10 0 BEAERN COc1cnc2c(Br)nccc2c1 ZINC000584616048 358107788 /nfs/dbraw/zinc/10/77/88/358107788.db2.gz WCWRYIHKMDTLEC-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN I[C@]12CCC[C@H]1OCC2 ZINC000584630986 358117112 /nfs/dbraw/zinc/11/71/12/358117112.db2.gz WKQJYEURJZKHQQ-RQJHMYQMSA-N 0 0 238.068 2.133 10 0 BEAERN C[C@H]1CSC[C@@]1(O)c1cccc(F)c1 ZINC000307523587 491123173 /nfs/dbraw/zinc/12/31/73/491123173.db2.gz DSLWTKRKUTVPQD-KWQFWETISA-N 0 0 212.289 2.396 10 0 BEAERN Cn1nccc1CCc1ccc(F)c(F)c1 ZINC000221912228 358143293 /nfs/dbraw/zinc/14/32/93/358143293.db2.gz OQUVKAODPQFMPK-UHFFFAOYSA-N 0 0 222.238 2.484 10 0 BEAERN CCOC(=O)CCc1ccc(O)cc1CC ZINC000039102354 358214858 /nfs/dbraw/zinc/21/48/58/358214858.db2.gz DQRGLCLEGSZGSN-UHFFFAOYSA-N 0 0 222.284 2.450 10 0 BEAERN CC(=O)N1CCc2cc3[nH]cc(C)c3cc21 ZINC000039169624 358222272 /nfs/dbraw/zinc/22/22/72/358222272.db2.gz HQJKYNXISRRJFQ-UHFFFAOYSA-N 0 0 214.268 2.385 10 0 BEAERN COC(=O)/C(Cl)=C/c1ccccc1N ZINC000584611390 358275167 /nfs/dbraw/zinc/27/51/67/358275167.db2.gz AOKBCTTWVGTHQO-VURMDHGXSA-N 0 0 211.648 2.022 10 0 BEAERN CCCCCC[C@@H](CO)C(F)(F)CO ZINC000584611039 358275236 /nfs/dbraw/zinc/27/52/36/358275236.db2.gz XWNXDHADCGIEDR-VIFPVBQESA-N 0 0 210.264 2.193 10 0 BEAERN Cc1ncc(Br)c2[nH]c(=O)ccc12 ZINC000584615981 358280928 /nfs/dbraw/zinc/28/09/28/358280928.db2.gz KGZUPUSIDATSCW-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN CCCCC(=O)Cc1cccc2n[nH]nc21 ZINC000584612954 358277121 /nfs/dbraw/zinc/27/71/21/358277121.db2.gz YFOYDMRKQFTRQT-UHFFFAOYSA-N 0 0 217.272 2.260 10 0 BEAERN CCOc1cc(C(C)=O)cc(OCC)c1O ZINC000584613454 358277670 /nfs/dbraw/zinc/27/76/70/358277670.db2.gz IBOGOLRMWOHZQF-UHFFFAOYSA-N 0 0 224.256 2.392 10 0 BEAERN C[Si](C)(C)c1cn(Cc2ccc(F)cc2)nn1 ZINC000584613636 358277853 /nfs/dbraw/zinc/27/78/53/358277853.db2.gz UWBDBGOUFFWQCR-UHFFFAOYSA-N 0 0 249.365 2.011 10 0 BEAERN CC(C)(CNc1ccccn1)NCC(F)(F)F ZINC000584614577 358279544 /nfs/dbraw/zinc/27/95/44/358279544.db2.gz LNQSIWPTNXYFMK-UHFFFAOYSA-N 0 0 247.264 2.424 10 0 BEAERN CCOC(=O)[C@H]1COc2c(C)ccc(C)c2O1 ZINC000584615025 358279613 /nfs/dbraw/zinc/27/96/13/358279613.db2.gz GIAXAMDJQMLOMZ-SNVBAGLBSA-N 0 0 236.267 2.006 10 0 BEAERN CC(=O)Nc1ccc(OC2(C)CC2)nc1C ZINC000584591147 358249837 /nfs/dbraw/zinc/24/98/37/358249837.db2.gz KXAPLQMNDIDOCG-UHFFFAOYSA-N 0 0 220.272 2.280 10 0 BEAERN C[Si](C)(C)c1cc(F)c(N)cc1F ZINC000584591899 358250281 /nfs/dbraw/zinc/25/02/81/358250281.db2.gz TUJUPZJNDFKEOA-UHFFFAOYSA-N 0 0 201.292 2.092 10 0 BEAERN CN(C(=O)c1ccccc1)[C@H]1CC[C@H](CO)CC1 ZINC000584592825 358250993 /nfs/dbraw/zinc/25/09/93/358250993.db2.gz SEKVWVKXGAWJKS-MQMHXKEQSA-N 0 0 247.338 2.310 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172384057 134265657 /nfs/dbraw/zinc/26/56/57/134265657.db2.gz KWMMYHBLNSKVTP-NSHDSACASA-N 0 0 249.358 2.408 10 0 BEAERN CCCc1cc(OC)c(OC)c(C(=O)OC)c1 ZINC000584597284 358254620 /nfs/dbraw/zinc/25/46/20/358254620.db2.gz MPODGUZWTPGZOH-UHFFFAOYSA-N 0 0 238.283 2.443 10 0 BEAERN CC(=O)O[C@H]1CC[C@H]1C(=O)OCc1ccccc1 ZINC000584600609 358257137 /nfs/dbraw/zinc/25/71/37/358257137.db2.gz TUCBJJVNSNFITQ-OLZOCXBDSA-N 0 0 248.278 2.072 10 0 BEAERN COP(=O)(OC)c1ccc(F)c(F)c1 ZINC000584602328 358259912 /nfs/dbraw/zinc/25/99/12/358259912.db2.gz DFFKDIULJMOGJM-UHFFFAOYSA-N 0 0 222.127 2.076 10 0 BEAERN CCO[P@](N)(=O)c1c(C)cc(C)cc1C ZINC000584603240 358261436 /nfs/dbraw/zinc/26/14/36/358261436.db2.gz PYFMNGLYVOQXFX-OAHLLOKOSA-N 0 0 227.244 2.425 10 0 BEAERN OC1CCC2(CC1)OCC(c1ccccc1)CO2 ZINC000584615790 358280241 /nfs/dbraw/zinc/28/02/41/358280241.db2.gz GGGPLKHLEBWRNF-UHFFFAOYSA-N 0 0 248.322 2.448 10 0 BEAERN COc1cc2c(cc1OC)[C@H]1C[C@@H]2C[C@@H]1O ZINC000584615622 358280250 /nfs/dbraw/zinc/28/02/50/358280250.db2.gz VRINLEBFDCHMFO-ONOSFVFSSA-N 0 0 220.268 2.039 10 0 BEAERN CCO[P@@](=O)(CC)c1ccc(N)cc1 ZINC000584603753 358262385 /nfs/dbraw/zinc/26/23/85/358262385.db2.gz QKFNMQAFIOOYCH-AWEZNQCLSA-N 0 0 213.217 2.229 10 0 BEAERN COC(=O)/C(=C/N(C)C)Sc1ccccc1 ZINC000584606930 358266462 /nfs/dbraw/zinc/26/64/62/358266462.db2.gz YYMXWBBFZXZXGG-LUAWRHEFSA-N 0 0 237.324 2.355 10 0 BEAERN COC(=O)c1c(C)nc2cc(Cl)ccn21 ZINC000584607056 358267193 /nfs/dbraw/zinc/26/71/93/358267193.db2.gz YNJUCUZFXSUZMV-UHFFFAOYSA-N 0 0 224.647 2.083 10 0 BEAERN C[C@H]1NC(=S)N(C)C=C1c1ccccc1 ZINC000584607496 358267697 /nfs/dbraw/zinc/26/76/97/358267697.db2.gz MBAJXUVEJRXHDK-SECBINFHSA-N 0 0 218.325 2.236 10 0 BEAERN CCO[C@@H](Nc1ccccn1)C(F)(F)F ZINC000584607830 358268445 /nfs/dbraw/zinc/26/84/45/358268445.db2.gz JATUZVGSFWCPGS-MRVPVSSYSA-N 0 0 220.194 2.418 10 0 BEAERN CC(=O)Nc1cccc(C=O)c1Br ZINC000584607785 358268506 /nfs/dbraw/zinc/26/85/06/358268506.db2.gz FAQFXXNWJRPLFX-UHFFFAOYSA-N 0 0 242.072 2.220 10 0 BEAERN CCO[C@H](Nc1ccccn1)C(F)(F)F ZINC000584607831 358268550 /nfs/dbraw/zinc/26/85/50/358268550.db2.gz JATUZVGSFWCPGS-QMMMGPOBSA-N 0 0 220.194 2.418 10 0 BEAERN CCC[C@H](OC(C)=O)[C@@H](C)CCCO ZINC000584609170 358269900 /nfs/dbraw/zinc/26/99/00/358269900.db2.gz DDIGBWIKRKIQBS-ONGXEEELSA-N 0 0 202.294 2.127 10 0 BEAERN COc1ccc(/C=C(\CCCO)[N+](=O)[O-])cc1 ZINC000584609967 358271940 /nfs/dbraw/zinc/27/19/40/358271940.db2.gz CJEFDODUALAQOS-PKNBQFBNSA-N 0 0 237.255 2.085 10 0 BEAERN COC(=O)C=Cc1cccc(C(C)=O)c1 ZINC000584610024 358272588 /nfs/dbraw/zinc/27/25/88/358272588.db2.gz BXOOOHQIGMESQD-VOTSOKGWSA-N 0 0 204.225 2.075 10 0 BEAERN ClN(Cl)C[C@@H]1COc2ccccc2O1 ZINC000584610572 358273729 /nfs/dbraw/zinc/27/37/29/358273729.db2.gz SWWZNPSFAYEPCS-SSDOTTSWSA-N 0 0 234.082 2.436 10 0 BEAERN FC1CN(Cc2cc3c(ccnc3Cl)[nH]2)C1 ZINC000584619747 358286061 /nfs/dbraw/zinc/28/60/61/358286061.db2.gz BBSGVENBXNSUEG-UHFFFAOYSA-N 0 0 239.681 2.370 10 0 BEAERN C=Cc1cnnn1[C@H](OC)c1ccccc1 ZINC000584619827 358286314 /nfs/dbraw/zinc/28/63/14/358286314.db2.gz FJASIQKPVMWZQH-GFCCVEGCSA-N 0 0 215.256 2.114 10 0 BEAERN On1c2c(nc1-c1ccccn1)CCCC2 ZINC000584620049 358286865 /nfs/dbraw/zinc/28/68/65/358286865.db2.gz KHDLSIJCDBEVOS-UHFFFAOYSA-N 0 0 215.256 2.061 10 0 BEAERN CCOC(=O)C[C@]1(C)OC(=O)[C@@H]2CCCC[C@@H]21 ZINC000584619931 358286929 /nfs/dbraw/zinc/28/69/29/358286929.db2.gz IHSYFWPFMWNZED-NRUUGDAUSA-N 0 0 240.299 2.062 10 0 BEAERN COc1ccc(CC(=S)N(C)C)cc1OC ZINC000584621447 358288585 /nfs/dbraw/zinc/28/85/85/358288585.db2.gz IJGJTROALMXOFY-UHFFFAOYSA-N 0 0 239.340 2.135 10 0 BEAERN CCC(=O)c1nc(N)sc1C(F)(F)F ZINC000584621216 358288689 /nfs/dbraw/zinc/28/86/89/358288689.db2.gz ULYPABPTEGHPFO-UHFFFAOYSA-N 0 0 224.207 2.167 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@H]2C)c(=O)[nH]c1C ZINC000584621672 358289576 /nfs/dbraw/zinc/28/95/76/358289576.db2.gz BLJKSXCGVHMQLB-SECBINFHSA-N 0 0 234.299 2.029 10 0 BEAERN CC1([C@@H]2CC(=O)Nc3ccccc32)COC1 ZINC000584622159 358290236 /nfs/dbraw/zinc/29/02/36/358290236.db2.gz XYPYFPFPLUPDHS-SNVBAGLBSA-N 0 0 217.268 2.149 10 0 BEAERN CC(C)C(=O)C(F)(F)C(=O)Nc1ccccc1 ZINC000584622644 358290574 /nfs/dbraw/zinc/29/05/74/358290574.db2.gz PCYHGNXMWKKWRF-UHFFFAOYSA-N 0 0 241.237 2.486 10 0 BEAERN CCc1ccc(C(=O)N/C(C)=C\C(=O)OC)cc1 ZINC000584624489 358292373 /nfs/dbraw/zinc/29/23/73/358292373.db2.gz NHKZUZIZIXYPKP-KTKRTIGZSA-N 0 0 247.294 2.056 10 0 BEAERN Cc1cn(-c2ccc3c(c2)NC(=O)C3(C)C)cn1 ZINC000584625488 358294208 /nfs/dbraw/zinc/29/42/08/358294208.db2.gz GLQGMSYHQFNKBE-UHFFFAOYSA-N 0 0 241.294 2.410 10 0 BEAERN Nc1cc(Cl)c(N2CCNC2=O)c(Cl)c1 ZINC000584625680 358294885 /nfs/dbraw/zinc/29/48/85/358294885.db2.gz YQYISDHDNHKSBN-UHFFFAOYSA-N 0 0 246.097 2.105 10 0 BEAERN COc1ccc(-c2nc(N)cnc2C)c(C)c1 ZINC000584628298 358298109 /nfs/dbraw/zinc/29/81/09/358298109.db2.gz JOTQJWJQLVQCLX-UHFFFAOYSA-N 0 0 229.283 2.351 10 0 BEAERN Oc1ccccc1CC[C@@H](O)Cc1ccccn1 ZINC000584629459 358298462 /nfs/dbraw/zinc/29/84/62/358298462.db2.gz JMTKVGZRUVPAHL-CQSZACIVSA-N 0 0 243.306 2.323 10 0 BEAERN CC(=O)C(F)(F)[C@H](O)c1ccc(C)cc1 ZINC000584630715 358300747 /nfs/dbraw/zinc/30/07/47/358300747.db2.gz QBUNBQTZPGDQNL-SNVBAGLBSA-N 0 0 214.211 2.253 10 0 BEAERN C[C@H]1C(c2ccccc2)C=NC(=S)N1C ZINC000584630718 358300972 /nfs/dbraw/zinc/30/09/72/358300972.db2.gz QTAAUDMUFZFBMZ-VIFPVBQESA-N 0 0 218.325 2.236 10 0 BEAERN CC(=O)Nc1cc2sc(=O)oc2c(C)c1 ZINC000584647433 358301731 /nfs/dbraw/zinc/30/17/31/358301731.db2.gz SBESKNDKPRJDOA-UHFFFAOYSA-N 0 0 223.253 2.121 10 0 BEAERN COC(=O)c1cccc(-c2ccnn2C)c1C ZINC000584648090 358302778 /nfs/dbraw/zinc/30/27/78/358302778.db2.gz ZBBUIMAKNSBEHP-UHFFFAOYSA-N 0 0 230.267 2.182 10 0 BEAERN COc1ccc(P(=O)(OC)OC)cc1C ZINC000584648899 358303454 /nfs/dbraw/zinc/30/34/54/358303454.db2.gz SPJNUBVSTLVCML-UHFFFAOYSA-N 0 0 230.200 2.115 10 0 BEAERN Cc1cc(Oc2ccccc2)ncc1NN ZINC000584649749 358304207 /nfs/dbraw/zinc/30/42/07/358304207.db2.gz KEPZYFQIOHLXDT-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN CC1(c2cc(Cl)nnc2Cl)COC1 ZINC000584648999 358304338 /nfs/dbraw/zinc/30/43/38/358304338.db2.gz ROAMQBBJCYIGJE-UHFFFAOYSA-N 0 0 219.071 2.071 10 0 BEAERN Cc1cnc2cncc(Br)c2n1 ZINC000584649555 358304363 /nfs/dbraw/zinc/30/43/63/358304363.db2.gz BMOVQBQOMCJSGY-UHFFFAOYSA-N 0 0 224.061 2.096 10 0 BEAERN CC(C)N1C(=O)c2ccccc2O[C@@H]1C ZINC000584631919 358314066 /nfs/dbraw/zinc/31/40/66/358314066.db2.gz CJFZEZYGUVJRGO-SECBINFHSA-N 0 0 205.257 2.276 10 0 BEAERN O=C(Nc1ccnc(F)c1)c1ccccc1 ZINC000584657079 358308695 /nfs/dbraw/zinc/30/86/95/358308695.db2.gz FCWGFMSDKONIIZ-UHFFFAOYSA-N 0 0 216.215 2.473 10 0 BEAERN COC(=O)C1=NNN(c2ccc(Cl)cc2)C1 ZINC000584659004 358310692 /nfs/dbraw/zinc/31/06/92/358310692.db2.gz HWPLHTPPJQSZBI-SECBINFHSA-N 0 0 239.662 2.069 10 0 BEAERN O=C1CC[C@]2(CCCC2=O)N1Cc1ccccc1 ZINC000584616726 358281446 /nfs/dbraw/zinc/28/14/46/358281446.db2.gz VPDRNQICHUMKQB-HNNXBMFYSA-N 0 0 243.306 2.301 10 0 BEAERN C[C@H]1CCC=CN1S(=O)(=O)c1ccccc1 ZINC000584616560 358281565 /nfs/dbraw/zinc/28/15/65/358281565.db2.gz AQRAGTOLIISSOV-NSHDSACASA-N 0 0 237.324 2.373 10 0 BEAERN COC(=O)N(O)c1ccc(Br)cc1 ZINC000584643315 358328752 /nfs/dbraw/zinc/32/87/52/358328752.db2.gz HVWHCKMXQWCLIU-UHFFFAOYSA-N 0 0 246.060 2.411 10 0 BEAERN CSc1cc(Cl)c(C(N)=O)c(Cl)n1 ZINC000584644194 358329139 /nfs/dbraw/zinc/32/91/39/358329139.db2.gz YRCFVGSWJJWASH-UHFFFAOYSA-N 0 0 237.111 2.209 10 0 BEAERN CC(=O)N/C=C1/CCCC=C1Br ZINC000584646207 358331181 /nfs/dbraw/zinc/33/11/81/358331181.db2.gz PRWNHNIGLZOFBI-VURMDHGXSA-N 0 0 230.105 2.469 10 0 BEAERN CONC(=O)n1ccc2cc(C)ccc21 ZINC000584647394 358332226 /nfs/dbraw/zinc/33/22/26/358332226.db2.gz PYYWSEYZYVEGQI-UHFFFAOYSA-N 0 0 204.229 2.069 10 0 BEAERN c1ccc(OC[C@@H]2OCN3CCCC[C@H]23)cc1 ZINC000584632407 358314763 /nfs/dbraw/zinc/31/47/63/358314763.db2.gz FQHZTDWRPXUXBV-KGLIPLIRSA-N 0 0 233.311 2.276 10 0 BEAERN Nc1cnc2c(c1)CC(c1ccccc1)=N2 ZINC000584632524 358315166 /nfs/dbraw/zinc/31/51/66/358315166.db2.gz JFDXWQAUMSIART-UHFFFAOYSA-N 0 0 209.252 2.341 10 0 BEAERN O=c1[nH]c(NN2CCCCC2)nc2ccccc21 ZINC000584634199 358318450 /nfs/dbraw/zinc/31/84/50/358318450.db2.gz AJPPKCDIYGZDPI-UHFFFAOYSA-N 0 0 244.298 2.148 10 0 BEAERN CC1=N/C(=C/c2ccc(F)cc2)C(=O)N1C ZINC000584634649 358318915 /nfs/dbraw/zinc/31/89/15/358318915.db2.gz UJURFGXVHZINCU-YRNVUSSQSA-N 0 0 218.231 2.057 10 0 BEAERN Cc1ccc2c(c1Br)CC(=O)N2C ZINC000584635518 358319440 /nfs/dbraw/zinc/31/94/40/358319440.db2.gz RSYXMRQUWOWSKI-UHFFFAOYSA-N 0 0 240.100 2.276 10 0 BEAERN NC(=O)/C=C\c1nc(-c2ccccc2)cs1 ZINC000584636496 358320959 /nfs/dbraw/zinc/32/09/59/358320959.db2.gz VAVXHTPBQMGEQI-SREVYHEPSA-N 0 0 230.292 2.309 10 0 BEAERN O=C1CC[C@H](CF)N1c1ccccc1F ZINC000584636706 358321606 /nfs/dbraw/zinc/32/16/06/358321606.db2.gz WPHSFEBQPIWWPC-MRVPVSSYSA-N 0 0 211.211 2.291 10 0 BEAERN OCC(F)(F)c1c(Cl)cncc1Cl ZINC000584636740 358321626 /nfs/dbraw/zinc/32/16/26/358321626.db2.gz AYLGYBIJABXDQF-UHFFFAOYSA-N 0 0 228.025 2.473 10 0 BEAERN Cn1ccnc1-c1ccc2nsnc2c1 ZINC000584636990 358322272 /nfs/dbraw/zinc/32/22/72/358322272.db2.gz BNXAGHYQJHXOPE-UHFFFAOYSA-N 0 0 216.269 2.092 10 0 BEAERN O=c1[nH]nc2[nH]c(-c3ccccc3)cc(O)c1-2 ZINC000584639846 358325495 /nfs/dbraw/zinc/32/54/95/358325495.db2.gz HRVNEJWTDIYKRQ-UHFFFAOYSA-N 0 0 227.223 2.036 10 0 BEAERN CN(C1=N[C@]12CCSC2)c1ccccc1 ZINC000584642352 358327774 /nfs/dbraw/zinc/32/77/74/358327774.db2.gz GDCZWDWWGLOGMF-LBPRGKRZSA-N 0 0 218.325 2.411 10 0 BEAERN Cc1ccc(NC(C)C)cc1S(C)(=O)=O ZINC000134892566 325381319 /nfs/dbraw/zinc/38/13/19/325381319.db2.gz BWATVMSPKACUOV-UHFFFAOYSA-N 0 0 227.329 2.219 10 0 BEAERN Cc1cc(N)ccc1C(=O)Nc1cccnc1 ZINC000044748034 358393172 /nfs/dbraw/zinc/39/31/72/358393172.db2.gz ZHXPIRWOQINGOG-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@H]2C)c1C ZINC000230170933 358394732 /nfs/dbraw/zinc/39/47/32/358394732.db2.gz GYXBKKNIALXJTD-GMSGAONNSA-N 0 0 221.304 2.401 10 0 BEAERN CNc1ccc(-c2cccc(C(N)=O)c2)cc1 ZINC000230509661 358417071 /nfs/dbraw/zinc/41/70/71/358417071.db2.gz BRFOANOLVAJJPH-UHFFFAOYSA-N 0 0 226.279 2.494 10 0 BEAERN CCC[C@H](O)C(F)(F)Br ZINC000225649236 358428745 /nfs/dbraw/zinc/42/87/45/358428745.db2.gz VHGVTGYIJJHKLX-BYPYZUCNSA-N 0 0 203.026 2.135 10 0 BEAERN O=C1NCCN1c1ccc(Cl)cc1F ZINC000169081119 358546110 /nfs/dbraw/zinc/54/61/10/358546110.db2.gz WDFJRHSRIBFBRK-UHFFFAOYSA-N 0 0 214.627 2.009 10 0 BEAERN O=C1NCCN1c1cc(Cl)ccc1F ZINC000169080937 358546325 /nfs/dbraw/zinc/54/63/25/358546325.db2.gz CJHXRWYIARUSTI-UHFFFAOYSA-N 0 0 214.627 2.009 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000126712247 358554132 /nfs/dbraw/zinc/55/41/32/358554132.db2.gz IPPZMBHGQVWNHE-QJPTWQEYSA-N 0 0 227.348 2.495 10 0 BEAERN CN(C)c1ncccc1CNC(=O)CC(C)(C)C ZINC000043050750 358533493 /nfs/dbraw/zinc/53/34/93/358533493.db2.gz ANNUBQLDCXBLOA-UHFFFAOYSA-N 0 0 249.358 2.200 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000130581960 358632446 /nfs/dbraw/zinc/63/24/46/358632446.db2.gz RRDOWWPPVMMIAD-TUAOUCFPSA-N 0 0 225.332 2.203 10 0 BEAERN COCC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000048411410 358634126 /nfs/dbraw/zinc/63/41/26/358634126.db2.gz FCHQKPBXQXSYSW-AWEZNQCLSA-N 0 0 245.278 2.132 10 0 BEAERN CC(C)Cn1ccnc1CNC(=O)C1CC=CC1 ZINC000131091109 358660122 /nfs/dbraw/zinc/66/01/22/358660122.db2.gz IXSITGMTVVNPIJ-UHFFFAOYSA-N 0 0 247.342 2.122 10 0 BEAERN CSCCCCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000131136661 358662770 /nfs/dbraw/zinc/66/27/70/358662770.db2.gz FAWOCHPLOSAFGK-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN CC(C)OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000049085278 358669194 /nfs/dbraw/zinc/66/91/94/358669194.db2.gz VUGPJKJTNMWQEH-LBPRGKRZSA-N 0 0 249.310 2.051 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000049371968 358685480 /nfs/dbraw/zinc/68/54/80/358685480.db2.gz LRJNGQFQIQHYRL-HTQZYQBOSA-N 0 0 242.344 2.054 10 0 BEAERN CC[C@H](C)C(=O)Cn1cnc2ccccc2c1=O ZINC000133043758 358744313 /nfs/dbraw/zinc/74/43/13/358744313.db2.gz IAFMMLYZXCPIEG-JTQLQIEISA-N 0 0 244.294 2.012 10 0 BEAERN C[C@@H](CO)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000133398206 358752307 /nfs/dbraw/zinc/75/23/07/358752307.db2.gz RPCNMNLKYLBVKG-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@H]1C[C@@H]1CNc1cc(Br)ncn1 ZINC000160807376 358718884 /nfs/dbraw/zinc/71/88/84/358718884.db2.gz FXALUDGXHSEHHK-NKWVEPMBSA-N 0 0 242.120 2.307 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CCn2ccnc2C1 ZINC000132434660 358723012 /nfs/dbraw/zinc/72/30/12/358723012.db2.gz NXHUMKOXFNJULY-NSHDSACASA-N 0 0 249.358 2.140 10 0 BEAERN O=C(Cc1cccs1)NCc1cscn1 ZINC000050408157 358729177 /nfs/dbraw/zinc/72/91/77/358729177.db2.gz GMFNFWDOGSNVCG-UHFFFAOYSA-N 0 0 238.337 2.064 10 0 BEAERN Cc1ccccc1C(=O)NCc1cscn1 ZINC000050408012 358729243 /nfs/dbraw/zinc/72/92/43/358729243.db2.gz QUZPWTQVAANISQ-UHFFFAOYSA-N 0 0 232.308 2.382 10 0 BEAERN COc1cccc(C(=O)N2C[C@H](C)C[C@@H]2C)c1O ZINC000134989224 358814340 /nfs/dbraw/zinc/81/43/40/358814340.db2.gz JSAVFSWUZRTKMM-ZJUUUORDSA-N 0 0 249.310 2.271 10 0 BEAERN COc1cccc(C(=O)N2C[C@@H](C)C[C@H]2C)c1O ZINC000134989283 358814693 /nfs/dbraw/zinc/81/46/93/358814693.db2.gz JSAVFSWUZRTKMM-VHSXEESVSA-N 0 0 249.310 2.271 10 0 BEAERN CN(C[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000053398470 358826463 /nfs/dbraw/zinc/82/64/63/358826463.db2.gz DKLIYGUQOQEAHZ-CYBMUJFWSA-N 0 0 237.343 2.299 10 0 BEAERN COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000135148476 358822285 /nfs/dbraw/zinc/82/22/85/358822285.db2.gz HEUNTEZMGIVPCE-VHSXEESVSA-N 0 0 239.290 2.274 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCC[C@H]1CCCO ZINC000052758120 358791394 /nfs/dbraw/zinc/79/13/94/358791394.db2.gz KKADBXVMVJXVIW-NEPJUHHUSA-N 0 0 227.348 2.186 10 0 BEAERN CCCCCC(=O)N1CCC[C@@H]1CCCO ZINC000052758969 358792293 /nfs/dbraw/zinc/79/22/93/358792293.db2.gz KOSHLVNQYHFRHF-GFCCVEGCSA-N 0 0 227.348 2.330 10 0 BEAERN O=C(c1ccsc1)N1CCC[C@@H]1CCCO ZINC000052758663 358792528 /nfs/dbraw/zinc/79/25/28/358792528.db2.gz QIKSYAQFQSHKEG-LLVKDONJSA-N 0 0 239.340 2.125 10 0 BEAERN COc1ccc(CNc2cccnn2)cc1OC ZINC000052816072 358797875 /nfs/dbraw/zinc/79/78/75/358797875.db2.gz RTSWQQKZDWOPIR-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000135510315 358841895 /nfs/dbraw/zinc/84/18/95/358841895.db2.gz BSUOXOBRXWVAOI-UWVGGRQHSA-N 0 0 249.358 2.380 10 0 BEAERN CNC(=O)c1cccc(NCc2cncs2)c1 ZINC000054770165 358873831 /nfs/dbraw/zinc/87/38/31/358873831.db2.gz SKAYGMPYWFRXQI-UHFFFAOYSA-N 0 0 247.323 2.115 10 0 BEAERN C[C@H](CCc1ccccc1)SC[C@H](O)CO ZINC000177448953 134297904 /nfs/dbraw/zinc/29/79/04/134297904.db2.gz RLFZQSMJALCEGE-DGCLKSJQSA-N 0 0 240.368 2.094 10 0 BEAERN C[C@@H]1CC[C@@H]1Nc1cc(Br)ncn1 ZINC000306163093 358972489 /nfs/dbraw/zinc/97/24/89/358972489.db2.gz GKBPPXNUQVYRTL-RQJHMYQMSA-N 0 0 242.120 2.450 10 0 BEAERN C[C@H]1CC[C@H]1Nc1cc(Br)ncn1 ZINC000306163082 358972821 /nfs/dbraw/zinc/97/28/21/358972821.db2.gz GKBPPXNUQVYRTL-NKWVEPMBSA-N 0 0 242.120 2.450 10 0 BEAERN C[C@@H](CO)Nc1cc(F)ccc1Cl ZINC000306165370 358974185 /nfs/dbraw/zinc/97/41/85/358974185.db2.gz BOBYFCQNXIMNPE-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN FC1(Cc2csc(Cl)c2)CNC1 ZINC000306153785 358922704 /nfs/dbraw/zinc/92/27/04/358922704.db2.gz BAHXJQDQVODDSJ-UHFFFAOYSA-N 0 0 205.685 2.256 10 0 BEAERN COC(=O)c1c(F)cc(OC(F)F)cc1F ZINC000130193732 358930830 /nfs/dbraw/zinc/93/08/30/358930830.db2.gz LIADJSNCZRBSPL-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN CCOC(=O)CN[C@H]1CCCc2sccc21 ZINC000061328072 358932906 /nfs/dbraw/zinc/93/29/06/358932906.db2.gz JJFRLKSCSOCCSK-JTQLQIEISA-N 0 0 239.340 2.278 10 0 BEAERN CCc1occc1[C@@H](N)c1ccsn1 ZINC000306156885 358948031 /nfs/dbraw/zinc/94/80/31/358948031.db2.gz CTDDUFFJLQYOIK-SNVBAGLBSA-N 0 0 208.286 2.347 10 0 BEAERN COc1ncc([C@H]2NC[C@H](C)CS2)s1 ZINC000306158102 358953273 /nfs/dbraw/zinc/95/32/73/358953273.db2.gz DECCUPOPWKMGFQ-XPUUQOCRSA-N 0 0 230.358 2.123 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)c1ccco1 ZINC000070266448 359048936 /nfs/dbraw/zinc/04/89/36/359048936.db2.gz DBJKJABKIUREEN-SNVBAGLBSA-N 0 0 229.235 2.143 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)c1cscn1 ZINC000070069779 359040188 /nfs/dbraw/zinc/04/01/88/359040188.db2.gz DIICQXHLUVMLFN-SECBINFHSA-N 0 0 246.291 2.007 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC1N=NC(=S)S1 ZINC000300382857 358980145 /nfs/dbraw/zinc/98/01/45/358980145.db2.gz KPOBNMOMWGSCKG-RITPCOANSA-N 0 0 215.347 2.427 10 0 BEAERN CS[C@H]1CCCC[C@H]1NC(=O)n1ccnc1 ZINC000300385842 358980942 /nfs/dbraw/zinc/98/09/42/358980942.db2.gz KRNOFRZZVCSDAJ-ZJUUUORDSA-N 0 0 239.344 2.115 10 0 BEAERN CCC(=O)NCC(Cl)=C(Cl)Cl ZINC000306173698 358981195 /nfs/dbraw/zinc/98/11/95/358981195.db2.gz BOTYRHMLDWVPGY-UHFFFAOYSA-N 0 0 216.495 2.398 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000306174709 358983244 /nfs/dbraw/zinc/98/32/44/358983244.db2.gz BZNCZONABVTDBM-PHDIDXHHSA-N 0 0 218.709 2.122 10 0 BEAERN CC(C)CCCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000178036247 134302657 /nfs/dbraw/zinc/30/26/57/134302657.db2.gz GEJRAUAWZCZDCD-QWRGUYRKSA-N 0 0 213.321 2.106 10 0 BEAERN C[C@H](O)c1nc2c(ccc(Cl)c2F)[nH]1 ZINC000306179364 358992261 /nfs/dbraw/zinc/99/22/61/358992261.db2.gz FCQQNNQALIBORT-BYPYZUCNSA-N 0 0 214.627 2.409 10 0 BEAERN NC(=O)c1ccc(N[C@@H]2CCCSC2)cc1 ZINC000061571035 181299732 /nfs/dbraw/zinc/29/97/32/181299732.db2.gz WTKGRJQJORCYEU-LLVKDONJSA-N 0 0 236.340 2.093 10 0 BEAERN CC[C@@H](C(=O)OC)N1CCC[C@H]1c1ccco1 ZINC000247003795 359182320 /nfs/dbraw/zinc/18/23/20/359182320.db2.gz ODHVFZBZEREQRT-QWRGUYRKSA-N 0 0 237.299 2.368 10 0 BEAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2C[C@H]2C)C1 ZINC000247246474 359204908 /nfs/dbraw/zinc/20/49/08/359204908.db2.gz XJHPSRSEHJWPGO-YTWAJWBKSA-N 0 0 242.388 2.368 10 0 BEAERN Cc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247350530 359214458 /nfs/dbraw/zinc/21/44/58/359214458.db2.gz JVVSPQNQVPYCAQ-XQQFMLRXSA-N 0 0 248.326 2.011 10 0 BEAERN C[C@H](CCc1cccn1C)NC(=O)N[C@H]1C[C@@H]1C ZINC000247399241 359217745 /nfs/dbraw/zinc/21/77/45/359217745.db2.gz HQISASNSWJSROY-LOWVWBTDSA-N 0 0 249.358 2.054 10 0 BEAERN CN(c1nc(CO)cs1)C1CCCC1 ZINC000306204374 359293280 /nfs/dbraw/zinc/29/32/80/359293280.db2.gz NRVWHSKPBOGBQN-UHFFFAOYSA-N 0 0 212.318 2.014 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1ccc(SC)nn1 ZINC000306210556 359303007 /nfs/dbraw/zinc/30/30/07/359303007.db2.gz ISFUNPNNNFJAAU-SFYZADRCSA-N 0 0 209.318 2.409 10 0 BEAERN COC[C@H](C)Oc1nc(Cl)ncc1Cl ZINC000086621753 359303021 /nfs/dbraw/zinc/30/30/21/359303021.db2.gz MQNLDEFVGJJXAY-YFKPBYRVSA-N 0 0 237.086 2.197 10 0 BEAERN CCNC(=S)N[C@@]1(C)CCCC[C@@H]1C ZINC000306213180 359306630 /nfs/dbraw/zinc/30/66/30/359306630.db2.gz LEVCNBXOPSVVAP-ONGXEEELSA-N 0 0 214.378 2.439 10 0 BEAERN CC(=O)c1nc([C@H]2SCCS[C@H]2C)no1 ZINC000228188001 359360769 /nfs/dbraw/zinc/36/07/69/359360769.db2.gz MSUJHSONMAOHSK-BQBZGAKWSA-N 0 0 244.341 2.182 10 0 BEAERN N[C@@H](c1cnns1)c1ccsc1Cl ZINC000306216118 359322306 /nfs/dbraw/zinc/32/23/06/359322306.db2.gz BMLHHPZILIZJFE-ZCFIWIBFSA-N 0 0 231.733 2.301 10 0 BEAERN Nc1cc(=O)c2cc(Br)ccc2o1 ZINC000224333671 359335844 /nfs/dbraw/zinc/33/58/44/359335844.db2.gz ZJUZEQPGFLZYNN-UHFFFAOYSA-N 0 0 240.056 2.138 10 0 BEAERN CO[C@H](C)CNc1cc(Cl)nnc1Cl ZINC000224337757 359335933 /nfs/dbraw/zinc/33/59/33/359335933.db2.gz FCJGAKCHJVQZDU-RXMQYKEDSA-N 0 0 236.102 2.230 10 0 BEAERN C[C@@]1(O)CCC[C@]1(C)Cc1csnn1 ZINC000306218235 359336034 /nfs/dbraw/zinc/33/60/34/359336034.db2.gz FDNXYPWMDLJZCU-NXEZZACHSA-N 0 0 212.318 2.022 10 0 BEAERN C[C@]1(O)CCC[C@@]1(C)Cc1csnn1 ZINC000306218236 359336256 /nfs/dbraw/zinc/33/62/56/359336256.db2.gz FDNXYPWMDLJZCU-UWVGGRQHSA-N 0 0 212.318 2.022 10 0 BEAERN CS(C)(=O)=Nc1ccc(Cl)c(N)c1 ZINC000306222342 359344346 /nfs/dbraw/zinc/34/43/46/359344346.db2.gz WGYHEXCZBCKFLO-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN CC[C@H]1CC[C@](O)(Cc2csnn2)C1 ZINC000306220891 359346719 /nfs/dbraw/zinc/34/67/19/359346719.db2.gz IOEZTDQKAHDVTH-WCBMZHEXSA-N 0 0 212.318 2.022 10 0 BEAERN CCCCC(=O)NCc1cccc(C)n1 ZINC000130316170 359495928 /nfs/dbraw/zinc/49/59/28/359495928.db2.gz CNQVWAUKOGSRCJ-UHFFFAOYSA-N 0 0 206.289 2.196 10 0 BEAERN COc1nc2cc(F)c(Cl)cc2[nH]1 ZINC000306271185 359502775 /nfs/dbraw/zinc/50/27/75/359502775.db2.gz RNBKBJOSUFZEAW-UHFFFAOYSA-N 0 0 200.600 2.364 10 0 BEAERN Cc1ccn(Cc2csc(Cl)n2)n1 ZINC000306286970 359519281 /nfs/dbraw/zinc/51/92/81/359519281.db2.gz YCACUJNMQNHTRS-UHFFFAOYSA-N 0 0 213.693 2.350 10 0 BEAERN Cn1cnnc1-c1sccc1Br ZINC000228237448 359519449 /nfs/dbraw/zinc/51/94/49/359519449.db2.gz QLFAKTFBDBKKAZ-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN O[C@@H](c1ccsc1Cl)[C@H]1CCOC1 ZINC000306299155 359545766 /nfs/dbraw/zinc/54/57/66/359545766.db2.gz DVJUOEYHFSKUQH-POYBYMJQSA-N 0 0 218.705 2.471 10 0 BEAERN COCc1cnc(NCC2(F)CC2)s1 ZINC000379667310 359577576 /nfs/dbraw/zinc/57/75/76/359577576.db2.gz YLFHPVNKYOHAAH-UHFFFAOYSA-N 0 0 216.281 2.204 10 0 BEAERN OC[C@@]1(Cc2csc(Cl)c2)CCCO1 ZINC000306311773 359593468 /nfs/dbraw/zinc/59/34/68/359593468.db2.gz NBZIFCHGMRLBAI-JTQLQIEISA-N 0 0 232.732 2.486 10 0 BEAERN CN1CCC(O)(c2ccsc2Cl)CC1 ZINC000306322793 359606778 /nfs/dbraw/zinc/60/67/78/359606778.db2.gz UUNDMRNRWCKILP-UHFFFAOYSA-N 0 0 231.748 2.315 10 0 BEAERN COc1ccncc1-c1ccc(N)cc1OC ZINC000169166873 359621342 /nfs/dbraw/zinc/62/13/42/359621342.db2.gz WTUAQHVROKINJG-UHFFFAOYSA-N 0 0 230.267 2.348 10 0 BEAERN Cc1nc(CC2=NC(=O)CS2)cs1 ZINC000306333651 359633377 /nfs/dbraw/zinc/63/33/77/359633377.db2.gz IBJQVSHRGJDRTK-UHFFFAOYSA-N 0 0 212.299 2.204 10 0 BEAERN Cc1cnc(N2CCC2)c(Br)c1 ZINC000306334716 359635746 /nfs/dbraw/zinc/63/57/46/359635746.db2.gz JHFVDRWIIRUSII-UHFFFAOYSA-N 0 0 227.105 2.363 10 0 BEAERN CC(C)CNc1nc(Cl)nc2n[nH]cc21 ZINC000004353481 359651926 /nfs/dbraw/zinc/65/19/26/359651926.db2.gz GSXKNONABCQDDT-UHFFFAOYSA-N 0 0 225.683 2.074 10 0 BEAERN CCc1cc(NCc2ccccn2)c(=O)[nH]c1C ZINC000005847491 359662055 /nfs/dbraw/zinc/66/20/55/359662055.db2.gz IXAOXJKGZNSFFD-UHFFFAOYSA-N 0 0 243.310 2.253 10 0 BEAERN CCC1(c2nc(Br)no2)CC1 ZINC000306349965 359668996 /nfs/dbraw/zinc/66/89/96/359668996.db2.gz LKESUNJMXUOILU-UHFFFAOYSA-N 0 0 217.066 2.274 10 0 BEAERN O=C(c1sccc1F)N1CCSC1 ZINC000306349600 359669347 /nfs/dbraw/zinc/66/93/47/359669347.db2.gz KGFJPNAEBMHXGO-UHFFFAOYSA-N 0 0 217.290 2.034 10 0 BEAERN O=C1NCCCN1Cc1ccc(Cl)s1 ZINC000169176132 359671566 /nfs/dbraw/zinc/67/15/66/359671566.db2.gz AFVLMQVCCVKIQE-UHFFFAOYSA-N 0 0 230.720 2.317 10 0 BEAERN C[C@@H](CO)S[C@H]1CCOC2(CCC2)C1 ZINC000160994990 359684153 /nfs/dbraw/zinc/68/41/53/359684153.db2.gz HTMMYNLGUHYHDU-UWVGGRQHSA-N 0 0 216.346 2.202 10 0 BEAERN C[C@@H](CO)S[C@@H]1CCOC2(CCC2)C1 ZINC000160994750 359684342 /nfs/dbraw/zinc/68/43/42/359684342.db2.gz HTMMYNLGUHYHDU-VHSXEESVSA-N 0 0 216.346 2.202 10 0 BEAERN Cc1n[nH]c(C)c1N[C@H]1CSC[C@H]1C ZINC000306351270 359678026 /nfs/dbraw/zinc/67/80/26/359678026.db2.gz XDYZZOKWHJXIFW-MUWHJKNJSA-N 0 0 211.334 2.190 10 0 BEAERN C[C@@H](CO)Nc1nccc2ccsc21 ZINC000306387405 359741703 /nfs/dbraw/zinc/74/17/03/359741703.db2.gz NSQIVRWXCSGAPK-ZETCQYMHSA-N 0 0 208.286 2.089 10 0 BEAERN Clc1nc(NC2CCOCC2)cs1 ZINC000306388175 359742096 /nfs/dbraw/zinc/74/20/96/359742096.db2.gz UYWXMJVDDAZCTF-UHFFFAOYSA-N 0 0 218.709 2.387 10 0 BEAERN Nc1c(F)cccc1N[C@@H]1CCSC1 ZINC000231344736 359858586 /nfs/dbraw/zinc/85/85/86/359858586.db2.gz TUFSOWFROBLEFX-SSDOTTSWSA-N 0 0 212.293 2.325 10 0 BEAERN O=C(C=C1CCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000087134180 359900333 /nfs/dbraw/zinc/90/03/33/359900333.db2.gz RUJOWMMEUBZASP-QWHCGFSZSA-N 0 0 235.327 2.267 10 0 BEAERN C[C@H]1CC[C@@]1(CC(=O)[O-])[NH+]1CCCCC1 ZINC000306446538 360010519 /nfs/dbraw/zinc/01/05/19/360010519.db2.gz VBRXWWMTXMMLPK-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1C[C@H](C)[C@H]2O[C@@]2(c2ccnn2C)C1 ZINC000536960553 360014174 /nfs/dbraw/zinc/01/41/74/360014174.db2.gz RNMHVGCSZYDRSP-RBLKWDMZSA-N 0 0 206.289 2.080 10 0 BEAERN COc1ncccc1[C@H]1CCC(=O)[C@@H]1C ZINC000306450498 360021185 /nfs/dbraw/zinc/02/11/85/360021185.db2.gz CHMLHUGCWFEHLH-BDAKNGLRSA-N 0 0 205.257 2.173 10 0 BEAERN COc1ncccc1[C@H]1CCC(=O)[C@H]1C ZINC000306450500 360021388 /nfs/dbraw/zinc/02/13/88/360021388.db2.gz CHMLHUGCWFEHLH-IUCAKERBSA-N 0 0 205.257 2.173 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000089511246 360025349 /nfs/dbraw/zinc/02/53/49/360025349.db2.gz APFXUMCXKBMZER-YPMHNXCESA-N 0 0 249.285 2.024 10 0 BEAERN Cc1ccc(CN2CC(O)(C3CC3)C2)cc1C ZINC000089678319 360033770 /nfs/dbraw/zinc/03/37/70/360033770.db2.gz OPXSQRRKTBELOP-UHFFFAOYSA-N 0 0 231.339 2.260 10 0 BEAERN CCCNC(=O)Nc1ncc(Cl)s1 ZINC000306454595 360041607 /nfs/dbraw/zinc/04/16/07/360041607.db2.gz ZNCVIRAXAMBZAL-UHFFFAOYSA-N 0 0 219.697 2.328 10 0 BEAERN CC(C)SCc1nnc(C2CC2)n1C ZINC000091029415 360099551 /nfs/dbraw/zinc/09/95/51/360099551.db2.gz OVYFVPMRUDBLCX-UHFFFAOYSA-N 0 0 211.334 2.334 10 0 BEAERN N=c1sccn1C[C@@H]1CC1(Cl)Cl ZINC000306459199 360057416 /nfs/dbraw/zinc/05/74/16/360057416.db2.gz DJBPRRMIAUXZJH-YFKPBYRVSA-N 0 0 223.128 2.223 10 0 BEAERN Cc1cc(Br)cc(F)c1NC(N)=O ZINC000306462930 360074710 /nfs/dbraw/zinc/07/47/10/360074710.db2.gz HGHNHDORRBMFBI-UHFFFAOYSA-N 0 0 247.067 2.387 10 0 BEAERN CC(C)[C@H](O)[C@H](O)c1ccsc1Cl ZINC000306463144 360075145 /nfs/dbraw/zinc/07/51/45/360075145.db2.gz IBTZQWNFZBLSTE-JGVFFNPUSA-N 0 0 220.721 2.452 10 0 BEAERN Cc1nn(CC(F)(F)F)c(Cl)c1C=O ZINC000306469930 360087682 /nfs/dbraw/zinc/08/76/82/360087682.db2.gz WEFYXPFRKNGQFF-UHFFFAOYSA-N 0 0 226.585 2.220 10 0 BEAERN COC(=N)c1ccc(O)c(C(F)(F)F)c1 ZINC000228404360 360108464 /nfs/dbraw/zinc/10/84/64/360108464.db2.gz DSLDQZFRKDSALK-UHFFFAOYSA-N 0 0 219.162 2.383 10 0 BEAERN CC1(C)C(C(=O)N[C@H]2CCCC[C@H]2O)C1(C)C ZINC000091492539 360117367 /nfs/dbraw/zinc/11/73/67/360117367.db2.gz XPQFTLGZMSJUHV-VHSXEESVSA-N 0 0 239.359 2.088 10 0 BEAERN Cc1nc([C@@H](C)N2CC(F)C2)cs1 ZINC000306483598 360151965 /nfs/dbraw/zinc/15/19/65/360151965.db2.gz LQDQNTCVWSFDQX-ZCFIWIBFSA-N 0 0 200.282 2.166 10 0 BEAERN Cc1ccc(N[C@@H](C)CC(F)F)nn1 ZINC000306478663 360127037 /nfs/dbraw/zinc/12/70/37/360127037.db2.gz ZMLRFFRWKQXRKD-ZETCQYMHSA-N 0 0 201.220 2.241 10 0 BEAERN Cc1nc([C@H](C)N2CC(F)C2)cs1 ZINC000306483597 360152303 /nfs/dbraw/zinc/15/23/03/360152303.db2.gz LQDQNTCVWSFDQX-LURJTMIESA-N 0 0 200.282 2.166 10 0 BEAERN CC1CC(C(=O)O[C@H]2CCSC2)C1 ZINC000306483318 360152313 /nfs/dbraw/zinc/15/23/13/360152313.db2.gz FEGWELPNSYGSHK-HACHORDNSA-N 0 0 200.303 2.081 10 0 BEAERN Brc1coc(CNc2nnco2)c1 ZINC000306490324 360198597 /nfs/dbraw/zinc/19/85/97/360198597.db2.gz MXGMTDQPDOVKFN-UHFFFAOYSA-N 0 0 244.048 2.037 10 0 BEAERN CSc1noc(-c2cc(Cl)c[nH]2)n1 ZINC000306487771 360174975 /nfs/dbraw/zinc/17/49/75/360174975.db2.gz KCNCLWWODWZPDU-UHFFFAOYSA-N 0 0 215.665 2.440 10 0 BEAERN CCc1nnc(Cl)n1[C@@H]1CCSC1 ZINC000231417157 360273245 /nfs/dbraw/zinc/27/32/45/360273245.db2.gz JJKAHICRZSBDBS-ZCFIWIBFSA-N 0 0 217.725 2.172 10 0 BEAERN c1coc([C@@H]2CN(Cc3cc[nH]c3)CCO2)c1 ZINC000093841616 360283380 /nfs/dbraw/zinc/28/33/80/360283380.db2.gz BXJVBTPERBRFFF-ZDUSSCGKSA-N 0 0 232.283 2.181 10 0 BEAERN c1coc([C@H]2CN(Cc3cc[nH]c3)CCO2)c1 ZINC000093841617 360283422 /nfs/dbraw/zinc/28/34/22/360283422.db2.gz BXJVBTPERBRFFF-CYBMUJFWSA-N 0 0 232.283 2.181 10 0 BEAERN CC[C@@H](C)Nc1nc(Cl)c(CO)s1 ZINC000306515338 360341261 /nfs/dbraw/zinc/34/12/61/360341261.db2.gz CYKZWOMLCVBDOK-RXMQYKEDSA-N 0 0 220.725 2.499 10 0 BEAERN Brc1ncnc(-c2ccsc2)n1 ZINC000237982956 360313598 /nfs/dbraw/zinc/31/35/98/360313598.db2.gz LKZPQEMAOXTXTR-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@H](Nc1ncnc2c1CCCC2)[C@H]1CCCO1 ZINC000094727941 360315987 /nfs/dbraw/zinc/31/59/87/360315987.db2.gz ZZUZNNQAXISRDL-GXFFZTMASA-N 0 0 247.342 2.335 10 0 BEAERN CCC[S@@](=O)Nc1cccc(Cl)n1 ZINC000306522465 360363784 /nfs/dbraw/zinc/36/37/84/360363784.db2.gz PZDMPJAAKLIUFX-CYBMUJFWSA-N 0 0 218.709 2.221 10 0 BEAERN CC(Cl)(Cl)C(=O)N1CC[C@](C)(F)C1 ZINC000306526851 360367688 /nfs/dbraw/zinc/36/76/88/360367688.db2.gz VVHAHJFZEATEAJ-ZETCQYMHSA-N 0 0 228.094 2.141 10 0 BEAERN C[C@H]1CCCC[C@@]1(C)N1CN=NC1=S ZINC000306536039 360400196 /nfs/dbraw/zinc/40/01/96/360400196.db2.gz KGNUQIVVYLRJFN-WCBMZHEXSA-N 0 0 211.334 2.492 10 0 BEAERN C[C@@H]1CCCC[C@@]1(C)N1CN=NC1=S ZINC000306536035 360400318 /nfs/dbraw/zinc/40/03/18/360400318.db2.gz KGNUQIVVYLRJFN-PSASIEDQSA-N 0 0 211.334 2.492 10 0 BEAERN Cc1cnc(C(C)(C)NC2CSC2)s1 ZINC000306532568 360392492 /nfs/dbraw/zinc/39/24/92/360392492.db2.gz GTAZXWPTFZOFJM-UHFFFAOYSA-N 0 0 228.386 2.392 10 0 BEAERN COC(=O)c1cscc1[C@@H]1CCCO1 ZINC000306534463 360397341 /nfs/dbraw/zinc/39/73/41/360397341.db2.gz DSHPJIKXFBTHSQ-VIFPVBQESA-N 0 0 212.270 2.386 10 0 BEAERN CC(C)n1nccc1C(=O)c1cscn1 ZINC000300745910 360436929 /nfs/dbraw/zinc/43/69/29/360436929.db2.gz IYIBYPLMCBCUCQ-UHFFFAOYSA-N 0 0 221.285 2.152 10 0 BEAERN CC1(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000306537127 360403149 /nfs/dbraw/zinc/40/31/49/360403149.db2.gz LDGSQGHBKAYPRI-QMMMGPOBSA-N 0 0 222.115 2.239 10 0 BEAERN C[C@H](CO)Nc1cc(Br)ccc1F ZINC000306540064 360405524 /nfs/dbraw/zinc/40/55/24/360405524.db2.gz VSXAUEIFTJBYSF-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H](O)C2)c1C ZINC000614143565 363733687 /nfs/dbraw/zinc/73/36/87/363733687.db2.gz NULGFNCBUIBUTM-QWHCGFSZSA-N 0 0 247.338 2.337 10 0 BEAERN COc1cc(C(=O)c2cnc(C)s2)sn1 ZINC000306546438 360418032 /nfs/dbraw/zinc/41/80/32/360418032.db2.gz WTGRYGZDLZEXJJ-UHFFFAOYSA-N 0 0 240.309 2.148 10 0 BEAERN CC(=O)c1ccnc(Cc2cccs2)n1 ZINC000306553254 360426625 /nfs/dbraw/zinc/42/66/25/360426625.db2.gz BBADDZKUPVNDGA-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN COC(=O)Cc1cc(O)cc(Cl)c1Cl ZINC000306555725 360430145 /nfs/dbraw/zinc/43/01/45/360430145.db2.gz CSCMYJBDZONQBE-UHFFFAOYSA-N 0 0 235.066 2.415 10 0 BEAERN CCOc1nc(NC)nc2ccsc21 ZINC000306556445 360430690 /nfs/dbraw/zinc/43/06/90/360430690.db2.gz IJFRHYVVRLLOQU-UHFFFAOYSA-N 0 0 209.274 2.132 10 0 BEAERN O[C@H](c1ccc(Cl)o1)c1ccns1 ZINC000306580106 360470675 /nfs/dbraw/zinc/47/06/75/360470675.db2.gz NQOLBIMYQXKHKG-MRVPVSSYSA-N 0 0 215.661 2.471 10 0 BEAERN CCSCC[C@H](C)NC(=O)N[C@H]1C[C@H]1C ZINC000247467881 325591587 /nfs/dbraw/zinc/59/15/87/325591587.db2.gz RQYDWXFNLPZEST-UTLUCORTSA-N 0 0 230.377 2.226 10 0 BEAERN CC(C)(c1cccnc1)[C@@H](O)c1cccnc1 ZINC000005138217 360483577 /nfs/dbraw/zinc/48/35/77/360483577.db2.gz DDFNHFXLQJLFSX-ZDUSSCGKSA-N 0 0 228.295 2.488 10 0 world BEAERN O=C1C[C@H](c2cccc(Br)c2F)N1 ZINC000306582451 360483895 /nfs/dbraw/zinc/48/38/95/360483895.db2.gz DBJVLFUOKDMXIO-SSDOTTSWSA-N 0 0 244.063 2.149 10 0 BEAERN CCOC(=O)[C@H](C(=O)CC)c1ccccc1 ZINC000079520991 370668985 /nfs/dbraw/zinc/66/89/85/370668985.db2.gz BHZOYDWMQNKDNV-LBPRGKRZSA-N 0 0 220.268 2.312 10 0 BEAERN C=C(Cl)C(=O)NC1CCC(C)CC1 ZINC000306570841 360456929 /nfs/dbraw/zinc/45/69/29/360456929.db2.gz AGMJGYSYNWMXPG-UHFFFAOYSA-N 0 0 201.697 2.434 10 0 BEAERN C[C@H]1C[C@H](Nc2ncc(N)s2)CS1 ZINC000306578679 360468678 /nfs/dbraw/zinc/46/86/78/360468678.db2.gz MJFJQYKKSGNDKF-WDSKDSINSA-N 0 0 215.347 2.031 10 0 BEAERN C[C@H]1CN[C@H](c2c(Cl)cnn2C)SC1 ZINC000306599867 360520810 /nfs/dbraw/zinc/52/08/10/360520810.db2.gz SAJHVSFIIJOAIZ-RCOVLWMOSA-N 0 0 231.752 2.045 10 0 BEAERN CSC1CCN(c2ncc(C=O)s2)CC1 ZINC000300828248 360524243 /nfs/dbraw/zinc/52/42/43/360524243.db2.gz JWFLCIMOBOWQGT-UHFFFAOYSA-N 0 0 242.369 2.287 10 0 BEAERN CCc1nc(-c2ccc(C(C)=O)s2)nn1C ZINC000426495554 360525644 /nfs/dbraw/zinc/52/56/44/360525644.db2.gz BRDYCPWQPOAFDB-UHFFFAOYSA-N 0 0 235.312 2.309 10 0 BEAERN O[C@@H](Cc1sccc1Cl)c1cn[nH]c1 ZINC000306601927 360530242 /nfs/dbraw/zinc/53/02/42/360530242.db2.gz UYOPVFQYHIZWHG-QMMMGPOBSA-N 0 0 228.704 2.401 10 0 BEAERN Brc1cnc(-c2cncs2)cn1 ZINC000238039638 360537528 /nfs/dbraw/zinc/53/75/28/360537528.db2.gz QFDBIBCAJQIOPZ-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Cn1c(CSc2ccccn2)nnc1C1CC1 ZINC000130468158 360514114 /nfs/dbraw/zinc/51/41/14/360514114.db2.gz LHLCTBTXWLOILZ-UHFFFAOYSA-N 0 0 246.339 2.380 10 0 BEAERN CC(=O)Nc1ccc(C(C)(C)O)cc1C ZINC000238079807 360546881 /nfs/dbraw/zinc/54/68/81/360546881.db2.gz ICFBPLLYYCHAOL-UHFFFAOYSA-N 0 0 207.273 2.181 10 0 BEAERN CCn1nccc1NC1CCSCC1 ZINC000306610328 360615587 /nfs/dbraw/zinc/61/55/87/360615587.db2.gz FBTSZNVWOHHYCD-UHFFFAOYSA-N 0 0 211.334 2.211 10 0 BEAERN CC(C)(C)c1ccc2c(c1)NC(=O)C2=O ZINC000238140656 360610356 /nfs/dbraw/zinc/61/03/56/360610356.db2.gz ZWBXAOPNGYGYRB-UHFFFAOYSA-N 0 0 203.241 2.119 10 0 BEAERN CCOC(=O)Cc1cccc(Cl)c1OC ZINC000238260810 360761507 /nfs/dbraw/zinc/76/15/07/360761507.db2.gz XKTYNYQIBVCOKT-UHFFFAOYSA-N 0 0 228.675 2.454 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(Cl)c1 ZINC000238258339 360762878 /nfs/dbraw/zinc/76/28/78/360762878.db2.gz PJNBRZCUIJKNKW-UHFFFAOYSA-N 0 0 213.664 2.028 10 0 BEAERN C[C@@H](C1CC1)n1ncc2c1ncnc2Cl ZINC000040932185 360853887 /nfs/dbraw/zinc/85/38/87/360853887.db2.gz XHQJCWROWQBAKD-LURJTMIESA-N 0 0 222.679 2.451 10 0 BEAERN CCSc1cnc(Br)cn1 ZINC000238306981 360833617 /nfs/dbraw/zinc/83/36/17/360833617.db2.gz IKISOKNCUMEGCV-UHFFFAOYSA-N 0 0 219.107 2.351 10 0 BEAERN COC(=O)c1c(Cl)cc(OC)cc1OC ZINC000238324321 360875682 /nfs/dbraw/zinc/87/56/82/360875682.db2.gz ODYQOZZYLCBENL-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN NC(=S)CCCN1CCc2ccccc21 ZINC000019438229 181315016 /nfs/dbraw/zinc/31/50/16/181315016.db2.gz XTHDAQCZPYLRJH-UHFFFAOYSA-N 0 0 220.341 2.115 10 0 BEAERN NC(=S)Cc1cc(F)ccc1Cl ZINC000083344079 181317439 /nfs/dbraw/zinc/31/74/39/181317439.db2.gz FZTWVRDXJDTWEE-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN O=C(N[C@@]12C[C@@H]1CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000634087242 360899216 /nfs/dbraw/zinc/89/92/16/360899216.db2.gz RBIXBCBBDPOOQK-ZUDIRPEPSA-N 0 0 219.328 2.481 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2nnc(C3CC3)s2)C1 ZINC000309611395 491152473 /nfs/dbraw/zinc/15/24/73/491152473.db2.gz ZOXILCDWWJQQAS-RKDXNWHRSA-N 0 0 239.344 2.131 10 0 BEAERN COc1cncc(OC(F)(F)F)c1C ZINC000238347143 360909047 /nfs/dbraw/zinc/90/90/47/360909047.db2.gz VSSFYBMTUFTFAT-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1cnc(OC(F)(F)F)c(F)c1 ZINC000238342008 360909986 /nfs/dbraw/zinc/90/99/86/360909986.db2.gz HAAGGNMKZOLFLB-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN NC(=S)CCOc1ccccc1Cl ZINC000005592781 181316469 /nfs/dbraw/zinc/31/64/69/181316469.db2.gz GZICAKSGDNVPCK-UHFFFAOYSA-N 0 0 215.705 2.395 10 0 BEAERN NC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000034971902 181318655 /nfs/dbraw/zinc/31/86/55/181318655.db2.gz PMHXDYLJMNAAPX-UHFFFAOYSA-N 0 0 234.246 2.039 10 0 BEAERN NC(=S)Nc1c(F)cccc1Br ZINC000059439172 181319384 /nfs/dbraw/zinc/31/93/84/181319384.db2.gz IFOVNLDXKNVXNV-UHFFFAOYSA-N 0 0 249.108 2.244 10 0 BEAERN NC(=S)c1c(Cl)cncc1Cl ZINC000000076577 181320293 /nfs/dbraw/zinc/32/02/93/181320293.db2.gz VEUNRPIODXQIAS-UHFFFAOYSA-N 0 0 207.085 2.023 10 0 BEAERN NC(=S)c1cc(Cl)cnc1Cl ZINC000083344905 181320439 /nfs/dbraw/zinc/32/04/39/181320439.db2.gz IAQWRXGBTNRSMR-UHFFFAOYSA-N 0 0 207.085 2.023 10 0 BEAERN COC(=O)c1cc(OC(F)F)ccc1F ZINC000238374254 360980114 /nfs/dbraw/zinc/98/01/14/360980114.db2.gz YEVCJGLMQBVOKT-UHFFFAOYSA-N 0 0 220.146 2.214 10 0 BEAERN NC(=S)c1cc(NC2CCCCC2)ccn1 ZINC000061811776 181320556 /nfs/dbraw/zinc/32/05/56/181320556.db2.gz SECYBFOOVBVQSM-UHFFFAOYSA-N 0 0 235.356 2.460 10 0 BEAERN C[C@@H]1CC(=O)c2c(F)ccc(F)c2[S@]1=O ZINC000040973363 360983821 /nfs/dbraw/zinc/98/38/21/360983821.db2.gz CZDLLWJRTLAPGV-MQWCLQQTSA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)CCC[S@]2=O ZINC000040973038 360984174 /nfs/dbraw/zinc/98/41/74/360984174.db2.gz DMUVKZGDDYGJNB-HNNXBMFYSA-N 0 0 222.309 2.388 10 0 BEAERN COc1cccc(OC(F)(F)F)c1CO ZINC000238383368 360988815 /nfs/dbraw/zinc/98/88/15/360988815.db2.gz HLTQDLGJAAYMSW-UHFFFAOYSA-N 0 0 222.162 2.086 10 0 BEAERN COc1ccc(OC)c(OC(F)F)c1 ZINC000238386932 360988993 /nfs/dbraw/zinc/98/89/93/360988993.db2.gz QJADKYZWWXJMFW-UHFFFAOYSA-N 0 0 204.172 2.305 10 0 BEAERN NC(=S)c1ccccc1COCC1CC1 ZINC000019870865 181321236 /nfs/dbraw/zinc/32/12/36/181321236.db2.gz CETYAVOZYYWHNZ-UHFFFAOYSA-N 0 0 221.325 2.247 10 0 BEAERN NC(=S)c1ccccc1NC(=O)C1CCC1 ZINC000019477435 181321388 /nfs/dbraw/zinc/32/13/88/181321388.db2.gz QVQJKTGPPDCARX-UHFFFAOYSA-N 0 0 234.324 2.059 10 0 BEAERN NC(=S)c1cccnc1OC1CCCC1 ZINC000019510160 181321492 /nfs/dbraw/zinc/32/14/92/181321492.db2.gz TWOUDVGZBDEGPI-UHFFFAOYSA-N 0 0 222.313 2.037 10 0 BEAERN NC(=S)c1cccnc1NCC1CCCC1 ZINC000037258963 181321585 /nfs/dbraw/zinc/32/15/85/181321585.db2.gz JPMOXSSBGAIVSR-UHFFFAOYSA-N 0 0 235.356 2.318 10 0 BEAERN O[C@@H](c1cnsn1)c1ccc(Cl)cc1 ZINC000138641576 361034792 /nfs/dbraw/zinc/03/47/92/361034792.db2.gz QGLFOOMNEOXXLH-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN NC(=S)c1ccccc1OCc1ccco1 ZINC000020077308 181322067 /nfs/dbraw/zinc/32/20/67/181322067.db2.gz CJUHFYBWADJDOD-UHFFFAOYSA-N 0 0 233.292 2.493 10 0 BEAERN O=Cc1ccnc(Cl)c1OC(F)(F)F ZINC000238522030 361139495 /nfs/dbraw/zinc/13/94/95/361139495.db2.gz UHQBADDNIILWMW-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=Cc1c(Cl)ccnc1OC(F)(F)F ZINC000238549670 361143549 /nfs/dbraw/zinc/14/35/49/361143549.db2.gz KXRAXZVRJHVBLX-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN CC(C)N(O)Cc1cnc(Cl)s1 ZINC000306616799 361171690 /nfs/dbraw/zinc/17/16/90/361171690.db2.gz PNRCKWJLWVWBIS-UHFFFAOYSA-N 0 0 206.698 2.396 10 0 BEAERN Oc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238663942 361174955 /nfs/dbraw/zinc/17/49/55/361174955.db2.gz QYGCREZNXRSLSP-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Nc1ccccc1NCc1nccs1 ZINC000041043805 361181480 /nfs/dbraw/zinc/18/14/80/361181480.db2.gz BZVIBDVYVAYIAC-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN Fc1ccc(NCC[C@H]2CCCO2)nc1 ZINC000041045445 361183195 /nfs/dbraw/zinc/18/31/95/361183195.db2.gz OGOFBDKPIQIQFN-SNVBAGLBSA-N 0 0 210.252 2.202 10 0 BEAERN c1csc(Cc2nnc(C3CC3)[nH]2)c1 ZINC000041057738 361215442 /nfs/dbraw/zinc/21/54/42/361215442.db2.gz UJBKKJSCLXPNAJ-UHFFFAOYSA-N 0 0 205.286 2.334 10 0 BEAERN CC(=O)Nc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1C ZINC000171051552 361238546 /nfs/dbraw/zinc/23/85/46/361238546.db2.gz JTILTNCHRDOBJI-CABZTGNLSA-N 0 0 246.310 2.092 10 0 BEAERN C[C@H]1C[C@H](O)CN1Cc1csc(Cl)c1 ZINC000306628142 361298365 /nfs/dbraw/zinc/29/83/65/361298365.db2.gz JJADSGHYFRLAPI-CBAPKCEASA-N 0 0 231.748 2.357 10 0 BEAERN O=Cc1ccc(-c2cnccn2)c(F)c1 ZINC000161635890 370681210 /nfs/dbraw/zinc/68/12/10/370681210.db2.gz BSAHMCPFAGUEHZ-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN CC(C)CCN(C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000079620094 370681393 /nfs/dbraw/zinc/68/13/93/370681393.db2.gz ASRNNPQAGFCOQF-RYUDHWBXSA-N 0 0 242.363 2.241 10 0 BEAERN NC(=O)c1c(N)cccc1-c1ccccc1 ZINC000115662275 370684792 /nfs/dbraw/zinc/68/47/92/370684792.db2.gz YDHYSAGXZMGUQA-UHFFFAOYSA-N 0 0 212.252 2.035 10 0 BEAERN OCc1cc(OC(F)(F)F)ncc1Cl ZINC000238724811 361372009 /nfs/dbraw/zinc/37/20/09/361372009.db2.gz ROJLVHBHCLXACX-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Cc1c(Cl)ccc2ccc(=NN)[nH]c12 ZINC000070064006 361392741 /nfs/dbraw/zinc/39/27/41/361392741.db2.gz QSSMKLUEEWYNKO-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN CC[N@H+]1C[C@H](N[C@@H](C)c2cscn2)[C@@H](C)C1 ZINC000309894956 491157957 /nfs/dbraw/zinc/15/79/57/491157957.db2.gz FMUYRRQMOFLWDQ-DCAQKATOSA-N 0 0 239.388 2.134 10 0 BEAERN Cc1nnc(S[C@H]2CCC(=O)C2)s1 ZINC000070233994 361486393 /nfs/dbraw/zinc/48/63/93/361486393.db2.gz CYORHNODMDRFNQ-ZETCQYMHSA-N 0 0 214.315 2.060 10 0 BEAERN Clc1ccccc1OCc1ncon1 ZINC000070233906 361486525 /nfs/dbraw/zinc/48/65/25/361486525.db2.gz CMDOKQCGXXGMDQ-UHFFFAOYSA-N 0 0 210.620 2.302 10 0 BEAERN CCC(O)(CC)CN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000629633486 361524080 /nfs/dbraw/zinc/52/40/80/361524080.db2.gz IOZMVNDBHTURJX-ZSBIGDGJSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1CSCCN1c1ccccc1N ZINC000070559382 361536324 /nfs/dbraw/zinc/53/63/24/361536324.db2.gz XEZJVVGDNZLYSU-VIFPVBQESA-N 0 0 208.330 2.211 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)c2ncccn2)C1 ZINC000070566282 361561327 /nfs/dbraw/zinc/56/13/27/361561327.db2.gz VWKCLBAUHCLRJI-NXEZZACHSA-N 0 0 204.273 2.486 10 0 BEAERN CSC(C)(C)c1nc(C)c(C)c(N)n1 ZINC000306640588 361591123 /nfs/dbraw/zinc/59/11/23/361591123.db2.gz KLEZLWNLQDNLCR-UHFFFAOYSA-N 0 0 211.334 2.274 10 0 BEAERN O=C1NCCc2cc(Cl)cc(Cl)c21 ZINC000070587796 361577706 /nfs/dbraw/zinc/57/77/06/361577706.db2.gz OEVOVUNCEJZHTQ-UHFFFAOYSA-N 0 0 216.067 2.279 10 0 BEAERN CCC[C@@H]1CCCN(C(N)=S)CC1 ZINC000070613157 361625979 /nfs/dbraw/zinc/62/59/79/361625979.db2.gz NVORJPFOZQGQBE-SECBINFHSA-N 0 0 200.351 2.132 10 0 BEAERN CC(C)(C)[C@@H]1CCCN(C(N)=S)CC1 ZINC000070613163 361626886 /nfs/dbraw/zinc/62/68/86/361626886.db2.gz JCUPRVSXPCSBPT-SECBINFHSA-N 0 0 214.378 2.378 10 0 BEAERN Clc1cccnc1SC[C@@H]1CO1 ZINC000070615036 361629311 /nfs/dbraw/zinc/62/93/11/361629311.db2.gz HOIYYIVDGMUDHO-LURJTMIESA-N 0 0 201.678 2.226 10 0 BEAERN Clc1ccc(SC[C@H]2CO2)nc1 ZINC000070615035 361629616 /nfs/dbraw/zinc/62/96/16/361629616.db2.gz UBHUEZOITMKRKC-SSDOTTSWSA-N 0 0 201.678 2.226 10 0 BEAERN C[C@@H]1C[C@H]1c1ccc(CNCc2cn[nH]c2)o1 ZINC000038005674 361634203 /nfs/dbraw/zinc/63/42/03/361634203.db2.gz AKZAVPUAOWRSOF-BXKDBHETSA-N 0 0 231.299 2.416 10 0 BEAERN CC[C@@H](C)c1nnc2c(Cl)nccn21 ZINC000070616341 361632836 /nfs/dbraw/zinc/63/28/36/361632836.db2.gz NOKZZRVQCOTQJZ-ZCFIWIBFSA-N 0 0 210.668 2.291 10 0 BEAERN CC(C)(C)c1nnc2c(Cl)nccn21 ZINC000070616331 361632983 /nfs/dbraw/zinc/63/29/83/361632983.db2.gz FIECNWZKZMMWPY-UHFFFAOYSA-N 0 0 210.668 2.075 10 0 BEAERN C[C@@]1(C(=O)[O-])CCC[N@@H+]1C1CCCCC1 ZINC000070618119 361637796 /nfs/dbraw/zinc/63/77/96/361637796.db2.gz NLSMLAXULLHENU-LBPRGKRZSA-N 0 0 211.305 2.258 10 0 BEAERN C[C@H](Nc1ncccn1)c1nccs1 ZINC000070621396 361649808 /nfs/dbraw/zinc/64/98/08/361649808.db2.gz ZYGCQACEZNJMBU-ZETCQYMHSA-N 0 0 206.274 2.106 10 0 BEAERN CCn1nc(C)cc1-c1ccc(N)c(C)n1 ZINC000629742540 361677994 /nfs/dbraw/zinc/67/79/94/361677994.db2.gz BTCZJXURERTKBK-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCCSCC(=O)NCc1cccc(C)n1 ZINC000130624211 363819286 /nfs/dbraw/zinc/81/92/86/363819286.db2.gz IOPZGTFBRPWOJV-UHFFFAOYSA-N 0 0 238.356 2.149 10 0 BEAERN COCC(=O)[C@@H]1CCCc2sccc21 ZINC000161265731 363870157 /nfs/dbraw/zinc/87/01/57/363870157.db2.gz BFHGHTHGEBGHLG-MRVPVSSYSA-N 0 0 210.298 2.384 10 0 BEAERN CCc1cc(OC)c(OC)c(C(C)=O)c1 ZINC000214896567 363882590 /nfs/dbraw/zinc/88/25/90/363882590.db2.gz UQRZCCIOCIIWFL-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN C[C@@H]1CSCCN1Cc1ccc(C=O)o1 ZINC000161286629 363916668 /nfs/dbraw/zinc/91/66/68/363916668.db2.gz NJEHWFAGZFTVOY-SECBINFHSA-N 0 0 225.313 2.029 10 0 BEAERN COC(=O)[C@@]1(C(C)C)O[C@@]12CCC2(C)C ZINC000306339211 541312375 /nfs/dbraw/zinc/31/23/75/541312375.db2.gz YSPJHPISWYLHEL-VXGBXAGGSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@@]1(C(C)C)O[C@]12CCC2(C)C ZINC000306339209 541312465 /nfs/dbraw/zinc/31/24/65/541312465.db2.gz YSPJHPISWYLHEL-NWDGAFQWSA-N 0 0 212.289 2.143 10 0 BEAERN O=C(Cc1ccco1)c1ccc(F)cn1 ZINC000130675109 364018302 /nfs/dbraw/zinc/01/83/02/364018302.db2.gz PDZLNZXJTZOFJI-UHFFFAOYSA-N 0 0 205.188 2.239 10 0 BEAERN CCOC(=O)[C@H](CC(=O)[C@@H](C)CC)C(=O)CC ZINC000725248295 541330355 /nfs/dbraw/zinc/33/03/55/541330355.db2.gz QGRFBXNAJOIDTF-VHSXEESVSA-N 0 0 242.315 2.150 10 0 BEAERN O=C1CCCn2c(Br)ccc21 ZINC000116177166 370742617 /nfs/dbraw/zinc/74/26/17/370742617.db2.gz ODHYQNKOIVOQBQ-UHFFFAOYSA-N 0 0 214.062 2.227 10 0 BEAERN CC(C)c1csc(-c2cnc(N)nc2)n1 ZINC000630499536 364188240 /nfs/dbraw/zinc/18/82/40/364188240.db2.gz JWWJJZQJUVMLHK-UHFFFAOYSA-N 0 0 220.301 2.136 10 0 BEAERN Cc1nc(NC(=O)[C@@H]2CC[C@H](C)O2)sc1C ZINC000132273181 364235659 /nfs/dbraw/zinc/23/56/59/364235659.db2.gz GGGSRWBVAKRXEJ-RCOVLWMOSA-N 0 0 240.328 2.266 10 0 BEAERN Cc1nc(NC(=O)[C@@H]2CC[C@@H](C)O2)sc1C ZINC000132273595 364235818 /nfs/dbraw/zinc/23/58/18/364235818.db2.gz GGGSRWBVAKRXEJ-MUWHJKNJSA-N 0 0 240.328 2.266 10 0 BEAERN Cc1cccc(OCCNC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000170793403 364245305 /nfs/dbraw/zinc/24/53/05/364245305.db2.gz YJDTZVZTCZINMR-WCQYABFASA-N 0 0 248.326 2.081 10 0 BEAERN Cc1ccc(/C=C/C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000027852456 370779039 /nfs/dbraw/zinc/77/90/39/370779039.db2.gz PGNUEFAODSLBII-GPTOWFIXSA-N 0 0 249.310 2.285 10 0 BEAERN O[C@H]1COc2c1cccc2C(F)(F)F ZINC000116389642 370767500 /nfs/dbraw/zinc/76/75/00/370767500.db2.gz ZHRYCVCASICONT-ZETCQYMHSA-N 0 0 204.147 2.131 10 0 BEAERN CCc1ccc(O)c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000170807281 364284277 /nfs/dbraw/zinc/28/42/77/364284277.db2.gz RRFPHNIKQWWRCP-KCJUWKMLSA-N 0 0 219.284 2.093 10 0 BEAERN CC(C)(C)OC(=O)N1CCC(=O)C2(CCC2)C1 ZINC000079034203 541350045 /nfs/dbraw/zinc/35/00/45/541350045.db2.gz XCABBJCQOZYZKD-UHFFFAOYSA-N 0 0 239.315 2.367 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000170827973 364378507 /nfs/dbraw/zinc/37/85/07/364378507.db2.gz OWZYNZDZTPDPIQ-WPRPVWTQSA-N 0 0 248.330 2.304 10 0 BEAERN CCCN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000134053384 364385741 /nfs/dbraw/zinc/38/57/41/364385741.db2.gz MMVJFHGXGRIPGL-SNVBAGLBSA-N 0 0 226.345 2.235 10 0 BEAERN C[C@@H](O)CNc1ccc(Br)cc1F ZINC000037687770 364517085 /nfs/dbraw/zinc/51/70/85/364517085.db2.gz DJDGXNFXBBVTTB-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN OCc1ccc(COCc2ccccc2)o1 ZINC000161330881 364697533 /nfs/dbraw/zinc/69/75/33/364697533.db2.gz FNVWRJSUMHRFFS-UHFFFAOYSA-N 0 0 218.252 2.489 10 0 BEAERN O=C(CC1CC1)Nc1cnn(C2CCC2)c1 ZINC000669385111 541438497 /nfs/dbraw/zinc/43/84/97/541438497.db2.gz YRSZCNZSPCEQOY-UHFFFAOYSA-N 0 0 219.288 2.347 10 0 BEAERN COC(=O)[C@]1(C)O[C@]1(C)Cc1cccs1 ZINC000669383954 541437645 /nfs/dbraw/zinc/43/76/45/541437645.db2.gz YSRNYZNGAGWHEQ-MNOVXSKESA-N 0 0 226.297 2.011 10 0 BEAERN CC[C@]1(C(=O)OC)OC12CC(C(C)C)C2 ZINC000669384209 541437706 /nfs/dbraw/zinc/43/77/06/541437706.db2.gz QECXAKASQRRGNU-QEWOUOOISA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCC21CCCCC1 ZINC000669384163 541437856 /nfs/dbraw/zinc/43/78/56/541437856.db2.gz PHEBNYFCXSTNCE-AAEUAGOBSA-N 0 0 224.300 2.431 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC[C@H](C)[C@H]2C ZINC000252128725 541445735 /nfs/dbraw/zinc/44/57/35/541445735.db2.gz KLDNXGCAPDJNML-QCMRWSPLSA-N 0 0 212.289 2.143 10 0 BEAERN CCCC1(CCC)CC(C[NH3+])(C(=O)[O-])C1 ZINC000083172311 541450906 /nfs/dbraw/zinc/45/09/06/541450906.db2.gz LWGZTBZMLUEANM-UHFFFAOYSA-N 0 0 213.321 2.397 10 0 BEAERN CC(C)CCNC(=O)N1CCS[C@@H](C)C1 ZINC000171411377 365197186 /nfs/dbraw/zinc/19/71/86/365197186.db2.gz DTXZDCVJEASLHC-JTQLQIEISA-N 0 0 230.377 2.179 10 0 BEAERN COC[C@H](C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000171428437 365198738 /nfs/dbraw/zinc/19/87/38/365198738.db2.gz TVPFTSPIRJSFSB-JTQLQIEISA-N 0 0 239.290 2.067 10 0 BEAERN COC[C@H](C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000171447999 365201022 /nfs/dbraw/zinc/20/10/22/365201022.db2.gz HWVKXYMPUOBKSE-QWRGUYRKSA-N 0 0 227.348 2.304 10 0 BEAERN CC(C)n1ccc(CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000172332316 365312560 /nfs/dbraw/zinc/31/25/60/365312560.db2.gz GTCIVOBFXFLGES-RYUDHWBXSA-N 0 0 237.347 2.073 10 0 BEAERN O=Cc1cc(N2CC[C@H](CF)C2)cs1 ZINC000675064784 541466964 /nfs/dbraw/zinc/46/69/64/541466964.db2.gz SQQZTWFTVNYPAA-MRVPVSSYSA-N 0 0 213.277 2.356 10 0 BEAERN CC(C)[C@H]1CCNc2nc(C(F)(F)F)nn21 ZINC000232743139 541507199 /nfs/dbraw/zinc/50/71/99/541507199.db2.gz TYVOCJOZEWVYBT-ZCFIWIBFSA-N 0 0 234.225 2.310 10 0 BEAERN CC(C)[C@@H]1CCNc2nc(C(F)(F)F)nn21 ZINC000232691470 541505210 /nfs/dbraw/zinc/50/52/10/541505210.db2.gz TYVOCJOZEWVYBT-LURJTMIESA-N 0 0 234.225 2.310 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000183051163 366971410 /nfs/dbraw/zinc/97/14/10/366971410.db2.gz IDZDCYZHUHOOIG-ONGXEEELSA-N 0 0 235.283 2.207 10 0 BEAERN CC[C@@H]1CCC[C@]2(C1)O[C@@]2(Cl)C(=O)OC ZINC000233921484 541510387 /nfs/dbraw/zinc/51/03/87/541510387.db2.gz UVFFBHCJHZTPLG-IEBDPFPHSA-N 0 0 232.707 2.464 10 0 BEAERN CCc1nc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000234231869 541512262 /nfs/dbraw/zinc/51/22/62/541512262.db2.gz HHRTWMGVGAKZFM-PHDIDXHHSA-N 0 0 234.225 2.148 10 0 BEAERN CC(C)c1nc2n(n1)[C@H](C1CC1)CCN2 ZINC000232791422 541507865 /nfs/dbraw/zinc/50/78/65/541507865.db2.gz ZSDQEYUKHZSYME-VIFPVBQESA-N 0 0 206.293 2.168 10 0 BEAERN CC[C@@H]1[C@H](C)CNc2nc(C(F)(F)F)nn21 ZINC000233930777 541509556 /nfs/dbraw/zinc/50/95/56/541509556.db2.gz FEVYIFQCCOMPDP-PHDIDXHHSA-N 0 0 234.225 2.310 10 0 BEAERN C[C@@H]1C[C@H](C(=O)N2CCOCC2)CC(C)(C)C1 ZINC000183439207 367022746 /nfs/dbraw/zinc/02/27/46/367022746.db2.gz PPBHQLYRIMMDLX-NEPJUHHUSA-N 0 0 239.359 2.308 10 0 BEAERN CC[C@H](NC(=O)c1cccnc1)c1nccs1 ZINC000131033581 370859265 /nfs/dbraw/zinc/85/92/65/370859265.db2.gz ODRGQQVYECIXCG-JTQLQIEISA-N 0 0 247.323 2.419 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(COC)ncn1 ZINC000381410820 367396428 /nfs/dbraw/zinc/39/64/28/367396428.db2.gz ULWFFEWQADPQLF-ONGXEEELSA-N 0 0 221.304 2.224 10 0 BEAERN C[C@@H](N(C)C(=O)[C@H]1CCC[C@H]1C)C(C)(C)O ZINC000382814323 367561019 /nfs/dbraw/zinc/56/10/19/367561019.db2.gz RVCDBJXQOQLNOB-MXWKQRLJSA-N 0 0 227.348 2.040 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)/C=C/c1ccccc1 ZINC000384729956 367721519 /nfs/dbraw/zinc/72/15/19/367721519.db2.gz JHVXTXQDIOYCSH-MEBOZDAKSA-N 0 0 245.322 2.072 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CCCC1(C)C ZINC000384983898 367769562 /nfs/dbraw/zinc/76/95/62/367769562.db2.gz ZLGBWLZWWIDCKE-UTUOFQBUSA-N 0 0 239.359 2.185 10 0 BEAERN NC(=O)c1ccc(-c2cccc(O)c2)s1 ZINC000117103634 370874727 /nfs/dbraw/zinc/87/47/27/370874727.db2.gz LQSYOLVFFWKQRW-UHFFFAOYSA-N 0 0 219.265 2.220 10 0 BEAERN C[C@@H]1CC[C@@H](Nc2cc(F)ncn2)[C@H]1C ZINC000252718139 367827455 /nfs/dbraw/zinc/82/74/55/367827455.db2.gz DEUTZMVGTOIRKN-HRDYMLBCSA-N 0 0 209.268 2.462 10 0 BEAERN CC(C)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000014048161 367932100 /nfs/dbraw/zinc/93/21/00/367932100.db2.gz MOIGJGYFDSSLMR-UHFFFAOYSA-N 0 0 247.273 2.354 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000527391617 367998346 /nfs/dbraw/zinc/99/83/46/367998346.db2.gz KLWYXQNGYAYAGE-NSHDSACASA-N 0 0 249.310 2.239 10 0 BEAERN C[C@H]1Cc2ccccc2N1CC(=O)NC(C)(C)C ZINC000015255375 367937636 /nfs/dbraw/zinc/93/76/36/367937636.db2.gz SOBBSFACZARKBP-NSHDSACASA-N 0 0 246.354 2.352 10 0 BEAERN Cc1csc(C[C@@H](O)[C@H]2CCSC2)n1 ZINC000161379701 368139314 /nfs/dbraw/zinc/13/93/14/368139314.db2.gz MWQANHOPLNSYMR-DTWKUNHWSA-N 0 0 229.370 2.108 10 0 BEAERN Cc1csc(C[C@H](O)[C@@H]2CCSC2)n1 ZINC000161379337 368139318 /nfs/dbraw/zinc/13/93/18/368139318.db2.gz MWQANHOPLNSYMR-BDAKNGLRSA-N 0 0 229.370 2.108 10 0 BEAERN O[C@@H]1CCCCCC[C@H]1OCC(F)F ZINC000130745572 368140092 /nfs/dbraw/zinc/14/00/92/368140092.db2.gz XVNWRSNNXCTGRA-RKDXNWHRSA-N 0 0 208.248 2.352 10 0 BEAERN CCc1ccc(-c2cnnc(OC)n2)cc1 ZINC000033868568 368322586 /nfs/dbraw/zinc/32/25/86/368322586.db2.gz PUNSCCWTMKPOQF-UHFFFAOYSA-N 0 0 215.256 2.110 10 0 BEAERN C[C@H](NN)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000253026283 368304325 /nfs/dbraw/zinc/30/43/25/368304325.db2.gz ZWZGYZUBOBVMIL-XLPZGREQSA-N 0 0 210.243 2.207 10 0 BEAERN COC(=O)COc1cccnc1-c1ccsc1 ZINC000224230678 368366790 /nfs/dbraw/zinc/36/67/90/368366790.db2.gz SREUFSSRNDZKIP-UHFFFAOYSA-N 0 0 249.291 2.362 10 0 BEAERN Cc1cnc2c(NCc3ccccn3)nccn12 ZINC000038590516 368327660 /nfs/dbraw/zinc/32/76/60/368327660.db2.gz KXADGNMFPYYOQD-UHFFFAOYSA-N 0 0 239.282 2.045 10 0 BEAERN CCOC(=O)c1cccc(Cn2ccnc2)c1 ZINC000038764063 368327856 /nfs/dbraw/zinc/32/78/56/368327856.db2.gz XNOSGDSVSOKKGO-UHFFFAOYSA-N 0 0 230.267 2.108 10 0 BEAERN Clc1ccc2ncc(-c3ccncc3)n2n1 ZINC000042827391 368332460 /nfs/dbraw/zinc/33/24/60/368332460.db2.gz LMYGADXQYCPRJN-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN COC(=O)c1ccc(C=O)cc1C(F)(F)F ZINC000113968384 368341811 /nfs/dbraw/zinc/34/18/11/368341811.db2.gz CGGGWRDRBMSXOL-UHFFFAOYSA-N 0 0 232.157 2.305 10 0 BEAERN C[S@@](=O)c1nc2cc(F)ccc2s1 ZINC000116402446 368343507 /nfs/dbraw/zinc/34/35/07/368343507.db2.gz QGQBXPGCKPRNBE-ZDUSSCGKSA-N 0 0 215.274 2.173 10 0 BEAERN Cc1ncc(Br)cc1N(C)C ZINC000117933725 368344180 /nfs/dbraw/zinc/34/41/80/368344180.db2.gz WVACMOTWMYXSAM-UHFFFAOYSA-N 0 0 215.094 2.219 10 0 BEAERN Nc1nc2n[nH]c(-c3ccccc3)c2c(Cl)n1 ZINC000200044226 368353681 /nfs/dbraw/zinc/35/36/81/368353681.db2.gz FYBBSLFJNIOTQW-UHFFFAOYSA-N 0 0 245.673 2.256 10 0 BEAERN COC(=O)C[C@H]1c2ccc(O)cc2OC[C@H]1C ZINC000201083699 368354147 /nfs/dbraw/zinc/35/41/47/368354147.db2.gz VWPALTJCUVEPOG-LDYMZIIASA-N 0 0 236.267 2.067 10 0 BEAERN COc1ccc(C=O)c(Br)c1C#N ZINC000222267080 368362960 /nfs/dbraw/zinc/36/29/60/368362960.db2.gz AOLBFYBPZIPLQE-UHFFFAOYSA-N 0 0 240.056 2.142 10 0 BEAERN CCOC(=O)c1c(C)c2ccsc2[nH]c1=O ZINC000221861546 368363115 /nfs/dbraw/zinc/36/31/15/368363115.db2.gz LPAHUWUEBFJPJE-UHFFFAOYSA-N 0 0 237.280 2.075 10 0 BEAERN CNc1cc(-c2cc(C)ccc2F)nc(N)n1 ZINC000223292717 368364844 /nfs/dbraw/zinc/36/48/44/368364844.db2.gz PLHITTKDLSMQBA-UHFFFAOYSA-N 0 0 232.262 2.215 10 0 BEAERN COc1ccc2ncc([N+](=O)[O-])c(Cl)c2n1 ZINC000148123501 368394846 /nfs/dbraw/zinc/39/48/46/368394846.db2.gz LGJVWVDPSJTOFZ-UHFFFAOYSA-N 0 0 239.618 2.200 10 0 BEAERN CCCC(CCC)=NNc1cc(=O)[nH]cn1 ZINC000222073390 368416854 /nfs/dbraw/zinc/41/68/54/368416854.db2.gz YATBDEBGLWFOPP-UHFFFAOYSA-N 0 0 222.292 2.138 10 0 BEAERN CSCCC(=O)Nc1ccc(C)cn1 ZINC000058585433 368515761 /nfs/dbraw/zinc/51/57/61/368515761.db2.gz FPZIJELULUHZQW-UHFFFAOYSA-N 0 0 210.302 2.082 10 0 BEAERN C[C@H](O)c1nc(Br)ccc1F ZINC000117332109 370908090 /nfs/dbraw/zinc/90/80/90/370908090.db2.gz ZQYWYNROVIVJQA-BYPYZUCNSA-N 0 0 220.041 2.037 10 0 BEAERN Cc1nnc(NC(=O)N[C@H](C)C(C)(C)C)s1 ZINC000112384167 368870631 /nfs/dbraw/zinc/87/06/31/368870631.db2.gz YAFAVVWSHKICIQ-ZCFIWIBFSA-N 0 0 242.348 2.403 10 0 BEAERN COCCCCNC(=O)N[C@H](C)C(C)(C)C ZINC000112439755 368872011 /nfs/dbraw/zinc/87/20/11/368872011.db2.gz QPUNXFIUAAPDOT-SNVBAGLBSA-N 0 0 230.352 2.147 10 0 BEAERN CCOCCN(CC)C(=O)N[C@H](C)C(C)(C)C ZINC000112462695 368872548 /nfs/dbraw/zinc/87/25/48/368872548.db2.gz NFLADIOWMATBCC-LLVKDONJSA-N 0 0 244.379 2.489 10 0 BEAERN CCCN(C)C(=O)N[C@H](C)C(C)(C)C ZINC000112463718 368873345 /nfs/dbraw/zinc/87/33/45/368873345.db2.gz QFBUGIWURZSNCE-SECBINFHSA-N 0 0 200.326 2.472 10 0 BEAERN CCCOC(=O)c1ccc(C(=O)OCCC)o1 ZINC000113850986 368909666 /nfs/dbraw/zinc/90/96/66/368909666.db2.gz INULFORHAGYOGB-UHFFFAOYSA-N 0 0 240.255 2.413 10 0 BEAERN COC(=O)c1[nH]c2c(c1C(C)(C)C)C(=O)CC2 ZINC000115006830 368967282 /nfs/dbraw/zinc/96/72/82/368967282.db2.gz WLPCMOXFGBYZEP-UHFFFAOYSA-N 0 0 235.283 2.228 10 0 BEAERN COC(=O)c1cc2c([nH]1)CC[C@@H]2C(C)C ZINC000115008534 368967515 /nfs/dbraw/zinc/96/75/15/368967515.db2.gz CWDNVVMPGIFTAN-MRVPVSSYSA-N 0 0 207.273 2.487 10 0 BEAERN COC(=O)c1ccc2c(c1)OCC2(C)C ZINC000115045670 368970777 /nfs/dbraw/zinc/97/07/77/368970777.db2.gz ZYQFQWWHMVUFJY-UHFFFAOYSA-N 0 0 206.241 2.143 10 0 BEAERN Cc1cnc(C)c(C(=O)c2ccccc2)n1 ZINC000115106788 368975024 /nfs/dbraw/zinc/97/50/24/368975024.db2.gz YSRPKAMLQBANEL-UHFFFAOYSA-N 0 0 212.252 2.324 10 0 BEAERN c1ccc(C2CCC3(CC2)OCCO3)nc1 ZINC000114498651 368942325 /nfs/dbraw/zinc/94/23/25/368942325.db2.gz PRKNUJVXRDNGAU-UHFFFAOYSA-N 0 0 219.284 2.482 10 0 BEAERN Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1 ZINC000089539050 368945994 /nfs/dbraw/zinc/94/59/94/368945994.db2.gz LNYLMAHYVLPFNZ-UHFFFAOYSA-N 0 0 248.322 2.500 10 0 BEAERN CC(C)C[N@@H+](CC(=O)[O-])C[C@@H]1Cc2ccccc21 ZINC000090978138 369003361 /nfs/dbraw/zinc/00/33/61/369003361.db2.gz NQSWIEOEZJKARJ-ZDUSSCGKSA-N 0 0 247.338 2.369 10 0 BEAERN O[C@@H]1CCCCC[C@@H]1Nc1nccs1 ZINC000130798297 369019290 /nfs/dbraw/zinc/01/92/90/369019290.db2.gz ICKZGVFJORNFHI-DTWKUNHWSA-N 0 0 212.318 2.249 10 0 BEAERN Fc1ccc(-c2nc(-c3ccnnc3)no2)cc1 ZINC000116130434 369021905 /nfs/dbraw/zinc/02/19/05/369021905.db2.gz BWDMGSVZNSZQOB-UHFFFAOYSA-N 0 0 242.213 2.333 10 0 BEAERN O=C1CCC[C@H](n2nc3ccccc3n2)C1 ZINC000005949235 369031821 /nfs/dbraw/zinc/03/18/21/369031821.db2.gz REHWEYVGLVDDPD-VIFPVBQESA-N 0 0 215.256 2.116 10 0 BEAERN Cn1cc(-c2cnc(N)c3oc(Cl)cc32)cn1 ZINC000616220953 369062678 /nfs/dbraw/zinc/06/26/78/369062678.db2.gz KQNXDDLRFOGDEU-UHFFFAOYSA-N 0 0 248.673 2.464 10 0 BEAERN CCCOc1ccc2c(c1)C(=O)[C@@H](C)O2 ZINC000105738268 369065025 /nfs/dbraw/zinc/06/50/25/369065025.db2.gz CDMNSBJQQFDTPZ-MRVPVSSYSA-N 0 0 206.241 2.439 10 0 BEAERN OC1(c2ccc(Br)s2)CC1 ZINC000054346144 369067267 /nfs/dbraw/zinc/06/72/67/369067267.db2.gz RQVNWJPYLJKTEN-UHFFFAOYSA-N 0 0 219.103 2.492 10 0 BEAERN CC[C@H](C)Nc1nc(N)cc(Br)n1 ZINC000161444885 369089869 /nfs/dbraw/zinc/08/98/69/369089869.db2.gz HDBKCZBNVOCPCI-YFKPBYRVSA-N 0 0 245.124 2.032 10 0 BEAERN O[C@@H](Cc1ccco1)[C@@H]1CSCCS1 ZINC000130849318 369118683 /nfs/dbraw/zinc/11/86/83/369118683.db2.gz SBYZAGDJYAHWFS-UWVGGRQHSA-N 0 0 230.354 2.032 10 0 BEAERN Cc1nc([C@H](N)c2cncs2)sc1C ZINC000161499762 369121396 /nfs/dbraw/zinc/12/13/96/369121396.db2.gz LXLPAJUOTQBLMY-MRVPVSSYSA-N 0 0 225.342 2.265 10 0 BEAERN CC(C)N1c2ccccc2NC[C@@H]1c1cnno1 ZINC000616691826 369113790 /nfs/dbraw/zinc/11/37/90/369113790.db2.gz PGVZPDZBWCWEIP-GFCCVEGCSA-N 0 0 244.298 2.451 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1C(F)F ZINC000616691735 369114204 /nfs/dbraw/zinc/11/42/04/369114204.db2.gz MBWOHGGVMCCJSB-LLVKDONJSA-N 0 0 225.238 2.397 10 0 BEAERN CCC1(CNC(=O)c2ncncc2Cl)CC1 ZINC000178184933 134304556 /nfs/dbraw/zinc/30/45/56/134304556.db2.gz YOBYKWMVAZAYEV-UHFFFAOYSA-N 0 0 239.706 2.050 10 0 BEAERN O=C(Nc1cncc(F)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000304209243 369459730 /nfs/dbraw/zinc/45/97/30/369459730.db2.gz SCDILBLYHNGSRW-AYMMMOKOSA-N 0 0 220.247 2.205 10 0 BEAERN C[C@H]1C[C@H](c2nnc(Br)s2)CO1 ZINC000161679867 370960443 /nfs/dbraw/zinc/96/04/43/370960443.db2.gz UGLHOUBUIVWXNA-WHFBIAKZSA-N 0 0 249.133 2.193 10 0 BEAERN CN1c2ccccc2NC[C@H]1C(F)(F)F ZINC000215414309 370962739 /nfs/dbraw/zinc/96/27/39/370962739.db2.gz GBMIPIPJZASSPS-VIFPVBQESA-N 0 0 216.206 2.479 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H]1CCCCC1(C)C ZINC000157385641 326272169 /nfs/dbraw/zinc/27/21/69/326272169.db2.gz QZUMMRAPRCUELB-MNOVXSKESA-N 0 0 227.348 2.354 10 0 BEAERN Cc1ccc(N)c(C)c1I ZINC000307729869 370033335 /nfs/dbraw/zinc/03/33/35/370033335.db2.gz HOMDUFHREGBMQZ-UHFFFAOYSA-N 0 0 247.079 2.490 10 0 BEAERN O=C(CSCCO)c1c[nH]c2ccccc21 ZINC000006890556 370053915 /nfs/dbraw/zinc/05/39/15/370053915.db2.gz DYSJIHWSHCKCOQ-UHFFFAOYSA-N 0 0 235.308 2.076 10 0 BEAERN CCN1C(=S)N=NC1c1coc(C)c1 ZINC000161531824 370120982 /nfs/dbraw/zinc/12/09/82/370120982.db2.gz XZDWCRTYLIIAKQ-UHFFFAOYSA-N 0 0 209.274 2.155 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cn1ccc2ccccc21 ZINC000075508751 370140721 /nfs/dbraw/zinc/14/07/21/370140721.db2.gz YANAZDIREZPGIX-CMPLNLGQSA-N 0 0 228.295 2.166 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cn1ccc2ccccc21 ZINC000075508743 370140906 /nfs/dbraw/zinc/14/09/06/370140906.db2.gz YANAZDIREZPGIX-JQWIXIFHSA-N 0 0 228.295 2.166 10 0 BEAERN C[C@H](Nc1nccc2nccnc21)[C@H]1CCCO1 ZINC000621251506 370185143 /nfs/dbraw/zinc/18/51/43/370185143.db2.gz XJRBOPPZWXIYAD-GXSJLCMTSA-N 0 0 244.298 2.004 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1ccccc1F ZINC000075982695 370197352 /nfs/dbraw/zinc/19/73/52/370197352.db2.gz FIWJKECCVZTKBS-SKDRFNHKSA-N 0 0 236.290 2.376 10 0 BEAERN CC(C)c1nccnc1N1CC[C@H](C)[C@@H](CO)C1 ZINC000621349844 370284582 /nfs/dbraw/zinc/28/45/82/370284582.db2.gz VAJXKURPPSSFLH-NWDGAFQWSA-N 0 0 249.358 2.055 10 0 BEAERN CC(C)c1nccnc1N1CC[C@@H](C)[C@H](CO)C1 ZINC000621349843 370284703 /nfs/dbraw/zinc/28/47/03/370284703.db2.gz VAJXKURPPSSFLH-NEPJUHHUSA-N 0 0 249.358 2.055 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H](C)OCC1CC1 ZINC000112828201 370358051 /nfs/dbraw/zinc/35/80/51/370358051.db2.gz DGAPENPMYHLSJJ-SNVBAGLBSA-N 0 0 227.348 2.496 10 0 BEAERN O=C(c1cnsn1)c1ccc(Cl)s1 ZINC000161573296 370435646 /nfs/dbraw/zinc/43/56/46/370435646.db2.gz CIXAXVCRAIRSJV-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN CCOC(=O)c1cccc2[nH]cc(C=O)c21 ZINC000225368482 370417772 /nfs/dbraw/zinc/41/77/72/370417772.db2.gz PXPOPLHLQWIWOD-UHFFFAOYSA-N 0 0 217.224 2.157 10 0 BEAERN CSCCCCNC(=O)Nc1nccs1 ZINC000130959179 370479015 /nfs/dbraw/zinc/47/90/15/370479015.db2.gz AHHKCGNJLNCUCH-UHFFFAOYSA-N 0 0 245.373 2.408 10 0 BEAERN COC[C@H](O)c1ccc(Br)c(F)c1 ZINC000161587781 370503202 /nfs/dbraw/zinc/50/32/02/370503202.db2.gz OXPFXHFLYOXONH-VIFPVBQESA-N 0 0 249.079 2.268 10 0 BEAERN CCCCN(C)C(=O)N[C@H](C)C(C)C ZINC000078316490 370550073 /nfs/dbraw/zinc/55/00/73/370550073.db2.gz BPHIQQZLCPCDNC-SNVBAGLBSA-N 0 0 200.326 2.472 10 0 BEAERN CCOC(=O)C(C)(C)c1nc(C)cs1 ZINC000114279835 370550966 /nfs/dbraw/zinc/55/09/66/370550966.db2.gz ILSWHJSPJQQOAP-UHFFFAOYSA-N 0 0 213.302 2.292 10 0 BEAERN CC1(C)CS[C@@H](c2cncs2)N1 ZINC000161615328 370607115 /nfs/dbraw/zinc/60/71/15/370607115.db2.gz FUAVMSSTTHEGML-ZETCQYMHSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1CCN[C@@H](c2nccs2)S1 ZINC000161613145 370604956 /nfs/dbraw/zinc/60/49/56/370604956.db2.gz KUFJETDHPUWQDK-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1CCS[C@H](c2nccs2)N1 ZINC000161610837 370575452 /nfs/dbraw/zinc/57/54/52/370575452.db2.gz KEQYNCQDCSTRPL-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN O=C(OCc1ccccc1)[C@@H]1CCc2ccnn21 ZINC000115066407 370620572 /nfs/dbraw/zinc/62/05/72/370620572.db2.gz NXDMHZNTTCLSAN-ZDUSSCGKSA-N 0 0 242.278 2.114 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)[C@H](C)C1CC1 ZINC000079122178 370625228 /nfs/dbraw/zinc/62/52/28/370625228.db2.gz LTMHTAOUVXDZNJ-NXEZZACHSA-N 0 0 212.337 2.471 10 0 BEAERN CCOC(=O)c1c(N)sc2c1[C@@H](C)OC2 ZINC000118199578 370999441 /nfs/dbraw/zinc/99/94/41/370999441.db2.gz KLJKYVDLSMWVDE-RXMQYKEDSA-N 0 0 227.285 2.098 10 0 BEAERN Oc1ccc(-n2nnc3ccccc32)cc1 ZINC000070675361 371055071 /nfs/dbraw/zinc/05/50/71/371055071.db2.gz OGTQJMALTRZWID-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN NN1CCC[C@@H]1c1ccc(F)c(Cl)c1 ZINC000077306775 181510704 /nfs/dbraw/zinc/51/07/04/181510704.db2.gz BMTOADXFGPEHFM-SNVBAGLBSA-N 0 0 214.671 2.490 10 0 BEAERN NNc1nc(Cl)nc2c3ccccc3[nH]c21 ZINC000073737800 181520448 /nfs/dbraw/zinc/52/04/48/181520448.db2.gz VHZKHTHMUXAEDL-UHFFFAOYSA-N 0 0 233.662 2.050 10 0 BEAERN [NH3+][C@@H](CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000095749159 181545370 /nfs/dbraw/zinc/54/53/70/181545370.db2.gz YHEKYBSDNWZYJS-VIFPVBQESA-N 0 0 247.216 2.050 10 0 BEAERN N[C@H](c1ncon1)c1cc(Cl)cc(Cl)c1 ZINC000037425117 181561512 /nfs/dbraw/zinc/56/15/12/181561512.db2.gz CBXVRJVBFPDTOI-QMMMGPOBSA-N 0 0 244.081 2.425 10 0 BEAERN CCCC[N@H+](CC)[C@H](C(=O)[O-])C(C)C ZINC000011864703 168800935 /nfs/dbraw/zinc/80/09/35/168800935.db2.gz CODHOTAATMGGGT-JTQLQIEISA-N 0 0 201.310 2.218 10 0 BEAERN N[C@@H](c1ncon1)c1cccc(Cl)c1Cl ZINC000036761919 181568366 /nfs/dbraw/zinc/56/83/66/181568366.db2.gz SQYXDCLBJAGRMU-MRVPVSSYSA-N 0 0 244.081 2.425 10 0 BEAERN [NH3+][C@H](CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000020217228 181615397 /nfs/dbraw/zinc/61/53/97/181615397.db2.gz OQYBIFKDDQSXPH-CYBMUJFWSA-N 0 0 233.311 2.430 10 0 BEAERN CCCCN(CC)c1ccc(N)c2nonc21 ZINC000035675277 168803460 /nfs/dbraw/zinc/80/34/60/168803460.db2.gz DIBCXCXLAXXLRP-UHFFFAOYSA-N 0 0 234.303 2.431 10 0 BEAERN Nc1cc(-c2cncnc2)ccc1Cl ZINC000061692250 181675052 /nfs/dbraw/zinc/67/50/52/181675052.db2.gz QNXZYHUDMPMNDU-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cc(COC[C@@H]2CCOC2)ccc1Cl ZINC000049688840 181682803 /nfs/dbraw/zinc/68/28/03/181682803.db2.gz BUDJPUJBKFQECF-SNVBAGLBSA-N 0 0 241.718 2.475 10 0 BEAERN Nc1cc(Cl)ccc1C(=O)NC1CCC1 ZINC000052206449 181683488 /nfs/dbraw/zinc/68/34/88/181683488.db2.gz OTBSOEOFUDDEQV-UHFFFAOYSA-N 0 0 224.691 2.205 10 0 BEAERN C[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)CC[C@@H]2O1 ZINC000249687780 259547022 /nfs/dbraw/zinc/54/70/22/259547022.db2.gz HUYCUJGWCJULLP-SYQHCUMBSA-N 0 0 249.354 2.369 10 0 BEAERN Nc1cc(F)c(-n2nnc3ccccc32)c(F)c1 ZINC000038040236 181685267 /nfs/dbraw/zinc/68/52/67/181685267.db2.gz VAFXBMBELMNRKN-UHFFFAOYSA-N 0 0 246.220 2.281 10 0 BEAERN Nc1cc(F)c(OCC(F)(F)F)c(F)c1 ZINC000038040241 181685975 /nfs/dbraw/zinc/68/59/75/181685975.db2.gz QVTFHZRIPXPZMC-UHFFFAOYSA-N 0 0 227.132 2.488 10 0 BEAERN Nc1n[nH]cc1Sc1ccc(F)c(F)c1 ZINC000040999512 181663871 /nfs/dbraw/zinc/66/38/71/181663871.db2.gz BPDQPWMMGFIGQA-UHFFFAOYSA-N 0 0 227.239 2.421 10 0 BEAERN Nc1ccc(-c2nnnn2C2CCCCC2)cc1 ZINC000042013954 181697496 /nfs/dbraw/zinc/69/74/96/181697496.db2.gz KUKIVQQONHBPLT-UHFFFAOYSA-N 0 0 243.314 2.428 10 0 BEAERN Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000050698296 181701962 /nfs/dbraw/zinc/70/19/62/181701962.db2.gz YVMQHHRVUQMCRX-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN Nc1ccc(C(=O)Nc2ccon2)c(Cl)c1 ZINC000061685002 181702872 /nfs/dbraw/zinc/70/28/72/181702872.db2.gz IULDHPMEQILYMK-UHFFFAOYSA-N 0 0 237.646 2.163 10 0 BEAERN Nc1ccc(Cl)c(-c2nnc3ncccn32)c1 ZINC000037641936 181708310 /nfs/dbraw/zinc/70/83/10/181708310.db2.gz IVJKEOQLVKVCIF-UHFFFAOYSA-N 0 0 245.673 2.027 10 0 BEAERN Nc1ccc(Cl)nc1OC(F)(F)F ZINC000118592768 181709461 /nfs/dbraw/zinc/70/94/61/181709461.db2.gz VGWGHIZGQMKJBX-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Nc1cccc(NC(=O)COCc2ccco2)c1 ZINC000022166034 181746035 /nfs/dbraw/zinc/74/60/35/181746035.db2.gz WGGSALMLMZJPOX-UHFFFAOYSA-N 0 0 246.266 2.017 10 0 BEAERN Nc1ccc(OCCc2cccnc2)cc1F ZINC000063221514 181721005 /nfs/dbraw/zinc/72/10/05/181721005.db2.gz AEGDBLZSBYCQIS-UHFFFAOYSA-N 0 0 232.258 2.424 10 0 BEAERN Nc1ccc(OC[C@@H]2CCOC2)cc1Cl ZINC000050471183 181722592 /nfs/dbraw/zinc/72/25/92/181722592.db2.gz OLRHFYIZRUMFKW-MRVPVSSYSA-N 0 0 227.691 2.338 10 0 BEAERN Nc1ccc(OCc2cccs2)cn1 ZINC000049584498 181722667 /nfs/dbraw/zinc/72/26/67/181722667.db2.gz GMRQVOUOLKACQQ-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN Nc1ncc(Sc2ccc(N)cc2)s1 ZINC000000004841 181724975 /nfs/dbraw/zinc/72/49/75/181724975.db2.gz MRIJQSOIHVDNLA-UHFFFAOYSA-N 0 0 223.326 2.459 10 0 BEAERN Cc1sc2ncnc(N3CC=CCN3)c2c1C ZINC000624417121 371505187 /nfs/dbraw/zinc/50/51/87/371505187.db2.gz XTIFEMXWQOBOPW-UHFFFAOYSA-N 0 0 246.339 2.189 10 0 BEAERN Nc1cnccc1S[C@H]1CCCC[C@@H]1O ZINC000037691867 181770437 /nfs/dbraw/zinc/77/04/37/181770437.db2.gz SKUGJGVSBYLMDC-ONGXEEELSA-N 0 0 224.329 2.059 10 0 BEAERN Nc1ccccc1CCC(=O)NCc1ccco1 ZINC000020187321 181754068 /nfs/dbraw/zinc/75/40/68/181754068.db2.gz IATVDDMLQXTWBC-UHFFFAOYSA-N 0 0 244.294 2.111 10 0 BEAERN Nc1ccccc1CN1CCCCCC1=O ZINC000019282236 181754795 /nfs/dbraw/zinc/75/47/95/181754795.db2.gz FDFOULGMOMGXGN-UHFFFAOYSA-N 0 0 218.300 2.171 10 0 BEAERN Nc1ccccc1SC[C@H]1CCOCO1 ZINC000037035133 181758382 /nfs/dbraw/zinc/75/83/82/181758382.db2.gz SMIUKBYNZXVQFX-SECBINFHSA-N 0 0 225.313 2.124 10 0 BEAERN Cn1cc(Cc2nnc(N)s2)c2ccccc21 ZINC000021779296 371495629 /nfs/dbraw/zinc/49/56/29/371495629.db2.gz OGSOGKULSWVXPM-UHFFFAOYSA-N 0 0 244.323 2.203 10 0 BEAERN Nc1n[nH]c2cccc(OC(F)(F)F)c12 ZINC000096308750 181774545 /nfs/dbraw/zinc/77/45/45/181774545.db2.gz GRFVCBXRWSHTLR-UHFFFAOYSA-N 0 0 217.150 2.044 10 0 BEAERN O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH][nH]1 ZINC000161875352 371576087 /nfs/dbraw/zinc/57/60/87/371576087.db2.gz BKUSYCKJCCOTNB-UHFFFAOYSA-N 0 0 229.066 2.217 10 0 BEAERN CON[C@@H]1COc2c1cccc2Br ZINC000131366690 371595766 /nfs/dbraw/zinc/59/57/66/371595766.db2.gz YCSKQAMHULTJKT-MRVPVSSYSA-N 0 0 244.088 2.034 10 0 BEAERN CCc1ccccc1C1N=NC(=S)N1 ZINC000161996450 371599800 /nfs/dbraw/zinc/59/98/00/371599800.db2.gz BBWUQQWLRRMGDV-UHFFFAOYSA-N 0 0 205.286 2.323 10 0 BEAERN C[C@@H](CO)C[C@@H]1Cc2ccccc2C1=O ZINC000162014160 371601079 /nfs/dbraw/zinc/60/10/79/371601079.db2.gz BIQLZCDKXODZOC-MWLCHTKSSA-N 0 0 204.269 2.060 10 0 BEAERN C[C@H](CO)C[C@@H]1Cc2ccccc2C1=O ZINC000162014050 371601625 /nfs/dbraw/zinc/60/16/25/371601625.db2.gz BIQLZCDKXODZOC-GXSJLCMTSA-N 0 0 204.269 2.060 10 0 BEAERN CON[C@H]1COc2c1cc(C)cc2Cl ZINC000131464828 371607695 /nfs/dbraw/zinc/60/76/95/371607695.db2.gz RDWDNWXBTHKTOF-VIFPVBQESA-N 0 0 213.664 2.233 10 0 BEAERN CCn1cnc2c1c1ccccc1nc2N ZINC000028475597 371607950 /nfs/dbraw/zinc/60/79/50/371607950.db2.gz DCSYFLJHEAMUII-UHFFFAOYSA-N 0 0 212.256 2.187 10 0 BEAERN CCOc1nc2nc(Cl)c(C)c(Cl)n2n1 ZINC000162088775 371609506 /nfs/dbraw/zinc/60/95/06/371609506.db2.gz LKJULUFSTOLFOF-UHFFFAOYSA-N 0 0 247.085 2.138 10 0 BEAERN CC[C@@H](NC(=O)c1ccncc1)c1nccs1 ZINC000131477917 371609712 /nfs/dbraw/zinc/60/97/12/371609712.db2.gz FWRUMOPZBFOVKW-SNVBAGLBSA-N 0 0 247.323 2.419 10 0 BEAERN Cc1c2nnc(C(F)F)n2nc(Cl)c1C ZINC000162118915 371611822 /nfs/dbraw/zinc/61/18/22/371611822.db2.gz HWVATJWKDWXFCE-UHFFFAOYSA-N 0 0 232.621 2.332 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@H](O)Cc1ccncc1Cl ZINC000226445411 371668720 /nfs/dbraw/zinc/66/87/20/371668720.db2.gz DCECGQGAHBFCAO-HDBBIHSSSA-N 0 0 211.692 2.294 10 0 BEAERN C[C@@H]1C[C@H]1[C@@H](O)Cc1ccncc1Cl ZINC000226445419 371669578 /nfs/dbraw/zinc/66/95/78/371669578.db2.gz DCECGQGAHBFCAO-ZOFUNIGCSA-N 0 0 211.692 2.294 10 0 BEAERN CC(=O)c1ccc(Sc2cnn(C)c2)o1 ZINC000131591494 371628472 /nfs/dbraw/zinc/62/84/72/371628472.db2.gz RXIITMSKCUKEGT-UHFFFAOYSA-N 0 0 222.269 2.367 10 0 BEAERN CC(=O)c1ccc(Sc2nccn2C)o1 ZINC000131584673 371628610 /nfs/dbraw/zinc/62/86/10/371628610.db2.gz DRCPLRJKVVBVGV-UHFFFAOYSA-N 0 0 222.269 2.367 10 0 BEAERN O=C1CCN(c2c(F)cc(F)cc2Cl)C1 ZINC000215811241 371634365 /nfs/dbraw/zinc/63/43/65/371634365.db2.gz AGUKPLBYDMKIPG-UHFFFAOYSA-N 0 0 231.629 2.397 10 0 BEAERN COc1c(O)ccc(Br)c1F ZINC000215838057 371642208 /nfs/dbraw/zinc/64/22/08/371642208.db2.gz QNKIZDGWJLBICM-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN C[C@H](CO)Sc1c(N)cccc1Cl ZINC000162331801 371660635 /nfs/dbraw/zinc/66/06/35/371660635.db2.gz VFOWUFLLJZGXGP-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN C[C@@H](c1nccs1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398323 371660885 /nfs/dbraw/zinc/66/08/85/371660885.db2.gz DEYRKDJKGNULEA-DTWKUNHWSA-N 0 0 240.328 2.001 10 0 BEAERN Cc1sc(Cc2cccnc2)nc1N ZINC000131895858 371707743 /nfs/dbraw/zinc/70/77/43/371707743.db2.gz YLFOBQOMLAFLCI-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN CCOC(=O)N1C[C@H](C)Nc2ccccc21 ZINC000216264138 371729737 /nfs/dbraw/zinc/72/97/37/371729737.db2.gz QWSURLOVJBGXIL-VIFPVBQESA-N 0 0 220.272 2.464 10 0 BEAERN CN(Cc1ccccc1)c1ncc(N)s1 ZINC000226721644 371730691 /nfs/dbraw/zinc/73/06/91/371730691.db2.gz ADPIPCXLHPRVEP-UHFFFAOYSA-N 0 0 219.313 2.362 10 0 BEAERN O=Cc1c[nH]nc1-c1ccc(Br)o1 ZINC000131804506 371683635 /nfs/dbraw/zinc/68/36/35/371683635.db2.gz IDYNQFYXCPKDCJ-UHFFFAOYSA-N 0 0 241.044 2.245 10 0 BEAERN C[C@@H](Nc1cnn(C)c1)c1cncs1 ZINC000162457864 371688690 /nfs/dbraw/zinc/68/86/90/371688690.db2.gz JUCREGFVNZEKQY-SSDOTTSWSA-N 0 0 208.290 2.050 10 0 BEAERN Cc1cc(C(F)(F)F)ccc1C(=O)CN ZINC000226572560 371699915 /nfs/dbraw/zinc/69/99/15/371699915.db2.gz MNERKXCBWPVEPV-UHFFFAOYSA-N 0 0 217.190 2.155 10 0 BEAERN Cc1cc(F)cc(C2N=NC(=S)O2)c1 ZINC000131868193 371700228 /nfs/dbraw/zinc/70/02/28/371700228.db2.gz OBPNVOVQXNYLPR-UHFFFAOYSA-N 0 0 210.233 2.473 10 0 BEAERN O=Cc1c2c[nH]nc2ccc1Br ZINC000216130492 371702245 /nfs/dbraw/zinc/70/22/45/371702245.db2.gz AUTBNDOSEFBISV-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN Nc1cnc(N[C@H]2CCCSC2)s1 ZINC000226752712 371738486 /nfs/dbraw/zinc/73/84/86/371738486.db2.gz VBYUCBVMJMFHEB-LURJTMIESA-N 0 0 215.347 2.033 10 0 BEAERN C[C@@H](CO)S[C@@H](C)C(=O)c1ccccc1 ZINC000162670496 371743142 /nfs/dbraw/zinc/74/31/42/371743142.db2.gz LXGNPAMIWNOHHE-UWVGGRQHSA-N 0 0 224.325 2.372 10 0 BEAERN C[C@@H](S[C@@H](C)CO)C(=O)c1ccccc1 ZINC000162670685 371743542 /nfs/dbraw/zinc/74/35/42/371743542.db2.gz LXGNPAMIWNOHHE-VHSXEESVSA-N 0 0 224.325 2.372 10 0 BEAERN C[C@@H](CO)SCC(=O)c1cccc(F)c1 ZINC000162672165 371744578 /nfs/dbraw/zinc/74/45/78/371744578.db2.gz RJLYFCNDJAXJKJ-QMMMGPOBSA-N 0 0 228.288 2.122 10 0 BEAERN ONCc1cc(F)cc(C(F)(F)F)c1 ZINC000132076714 371750408 /nfs/dbraw/zinc/75/04/08/371750408.db2.gz XNMXLOJKTLZONE-UHFFFAOYSA-N 0 0 209.142 2.323 10 0 BEAERN CC(C)([NH3+])C(=O)c1cc2ccccc2o1 ZINC000132133288 371755467 /nfs/dbraw/zinc/75/54/67/371755467.db2.gz JHDSVSSESNGMIE-UHFFFAOYSA-N 0 0 203.241 2.353 10 0 BEAERN CC1(C)C[C@H](n2cnnc2Cl)CCO1 ZINC000216446581 371755829 /nfs/dbraw/zinc/75/58/29/371755829.db2.gz XYVIYYMHCADKQV-SSDOTTSWSA-N 0 0 215.684 2.062 10 0 BEAERN OCc1ccc(N[C@@H]2CCSC2)cc1 ZINC000132309639 371791972 /nfs/dbraw/zinc/79/19/72/371791972.db2.gz QGETZQAMTTUDLZ-LLVKDONJSA-N 0 0 209.314 2.096 10 0 BEAERN C[C@H](CCO)Nc1ccc(Cl)cc1N ZINC000132307546 371792120 /nfs/dbraw/zinc/79/21/20/371792120.db2.gz DOQPKQDXRRGAHH-SSDOTTSWSA-N 0 0 214.696 2.105 10 0 BEAERN CCCc1nc2c(s1)CC1(CC2)OCCO1 ZINC000304293902 371776014 /nfs/dbraw/zinc/77/60/14/371776014.db2.gz HPBGTHCVKPGDNM-UHFFFAOYSA-N 0 0 239.340 2.327 10 0 BEAERN Cc1nn(C)c2c1NC[C@@H](C(C)C)S2 ZINC000162723191 371830869 /nfs/dbraw/zinc/83/08/69/371830869.db2.gz PDRLPBUMNFJUBB-QMMMGPOBSA-N 0 0 211.334 2.271 10 0 BEAERN Nc1nn(C[C@@H]2CCCCO2)c2ccccc12 ZINC000054433358 181812729 /nfs/dbraw/zinc/81/27/29/181812729.db2.gz CPNLXXBPHKEYSG-JTQLQIEISA-N 0 0 231.299 2.188 10 0 BEAERN C[C@]1(C(=O)C2CCSCC2)C[C@@H]1F ZINC000401779841 371817115 /nfs/dbraw/zinc/81/71/15/371817115.db2.gz AVJMRLMHAFOIIN-WPRPVWTQSA-N 0 0 202.294 2.447 10 0 BEAERN Cc1ccnc2c1NC(=O)C[C@H](C)S2 ZINC000162703195 371824500 /nfs/dbraw/zinc/82/45/00/371824500.db2.gz NFWJXWORDPMLPE-ZETCQYMHSA-N 0 0 208.286 2.213 10 0 BEAERN Cc1cnc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000162702639 371824946 /nfs/dbraw/zinc/82/49/46/371824946.db2.gz WNUUWPQOCZXTME-SSDOTTSWSA-N 0 0 208.286 2.213 10 0 BEAERN CC(C)CNC(=O)[C@]1(C)CCCS1 ZINC000162776425 371847389 /nfs/dbraw/zinc/84/73/89/371847389.db2.gz DQXQGOQQLXFSIC-JTQLQIEISA-N 0 0 201.335 2.044 10 0 BEAERN CCCc1nc(Br)ns1 ZINC000230108063 371847903 /nfs/dbraw/zinc/84/79/03/371847903.db2.gz HCPUELWEIVAPGI-UHFFFAOYSA-N 0 0 207.096 2.253 10 0 BEAERN C[C@H]1C[C@H]1c1nc(Br)ns1 ZINC000230110069 371852950 /nfs/dbraw/zinc/85/29/50/371852950.db2.gz OTXAUPCDVSFOFE-IUYQGCFVSA-N 0 0 219.107 2.424 10 0 BEAERN O=C1CSC(C2CCSCC2)=N1 ZINC000402086942 371862308 /nfs/dbraw/zinc/86/23/08/371862308.db2.gz YOOKFENOIMBRDK-UHFFFAOYSA-N 0 0 201.316 2.459 10 0 BEAERN Cc1cnc(C(=O)c2ccsc2)nc1 ZINC000132578756 371864501 /nfs/dbraw/zinc/86/45/01/371864501.db2.gz KMMBZUKJFDZHCY-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CC1=CC2=NC(=O)CN2C=C1Br ZINC000402816743 371939516 /nfs/dbraw/zinc/93/95/16/371939516.db2.gz OPJSTPQQWOYIPJ-UHFFFAOYSA-N 0 0 227.061 2.111 10 0 BEAERN OC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000132866864 371939832 /nfs/dbraw/zinc/93/98/32/371939832.db2.gz AHVJGRYYWIJLNI-MRVPVSSYSA-N 0 0 207.056 2.019 10 0 BEAERN CCOc1ncc(N)cc1C(F)(F)F ZINC000217350079 371940865 /nfs/dbraw/zinc/94/08/65/371940865.db2.gz IMICPNJPQGVLPR-UHFFFAOYSA-N 0 0 206.167 2.081 10 0 BEAERN COC[C@@H](C)Nc1cccc(Cl)c1N ZINC000132668749 371891221 /nfs/dbraw/zinc/89/12/21/371891221.db2.gz QHQIOGAIAYBXGW-SSDOTTSWSA-N 0 0 214.696 2.369 10 0 BEAERN [NH3+]/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000162983059 371902581 /nfs/dbraw/zinc/90/25/81/371902581.db2.gz VMLGMRIWADCTBJ-XBXARRHUSA-N 0 0 232.066 2.378 10 0 BEAERN CC(=O)[C@@H](C)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227821983 371943700 /nfs/dbraw/zinc/94/37/00/371943700.db2.gz SASNTPKUGNGKSX-VXNVDRBHSA-N 0 0 223.238 2.238 10 0 BEAERN CN(Cc1ccoc1)c1ccnc(F)c1 ZINC000227641349 371913107 /nfs/dbraw/zinc/91/31/07/371913107.db2.gz OVVBBHGJGKQFIM-UHFFFAOYSA-N 0 0 206.220 2.450 10 0 BEAERN CO[C@H]1C(=O)C[C@@H]1OC1CCCCCC1 ZINC000132773171 371919544 /nfs/dbraw/zinc/91/95/44/371919544.db2.gz VBFRRYKHEGFCDD-RYUDHWBXSA-N 0 0 212.289 2.082 10 0 BEAERN CN(CC(F)F)c1ccnc(Cl)c1 ZINC000227689025 371921948 /nfs/dbraw/zinc/92/19/48/371921948.db2.gz JBPBMYYLVYQLKG-UHFFFAOYSA-N 0 0 206.623 2.436 10 0 BEAERN Cc1ccc(Cl)c(Cl)c1C(N)=O ZINC000230823103 371959944 /nfs/dbraw/zinc/95/99/44/371959944.db2.gz PMPXEUOREGDIAP-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000227992566 371969537 /nfs/dbraw/zinc/96/95/37/371969537.db2.gz QDPWJZWIAVRMET-HBNTYKKESA-N 0 0 211.305 2.114 10 0 BEAERN CCC[C@@H](C(C)=O)C(=O)NCCc1ccccc1 ZINC000217535867 371974367 /nfs/dbraw/zinc/97/43/67/371974367.db2.gz UASORKWQUVOZNC-AWEZNQCLSA-N 0 0 247.338 2.351 10 0 BEAERN NNc1c(F)ccc(F)c1Br ZINC000403275708 371981034 /nfs/dbraw/zinc/98/10/34/371981034.db2.gz LWOSBHLEELTIBF-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN CC[C@H]1SCCS[C@@H]1c1nsc(N)n1 ZINC000228072145 371985892 /nfs/dbraw/zinc/98/58/92/371985892.db2.gz RZQKGRWQBUBUPP-RITPCOANSA-N 0 0 247.414 2.420 10 0 BEAERN CC[C@H]1SCCS[C@H]1c1nsc(N)n1 ZINC000228072160 371986181 /nfs/dbraw/zinc/98/61/81/371986181.db2.gz RZQKGRWQBUBUPP-PHDIDXHHSA-N 0 0 247.414 2.420 10 0 BEAERN COC(=O)c1cc(N)cc(C(F)(F)F)c1OC ZINC000217631110 371988494 /nfs/dbraw/zinc/98/84/94/371988494.db2.gz APLAQTQBUJUJDL-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCN1CC(=O)Nc2c(Cl)cccc21 ZINC000163181377 371947665 /nfs/dbraw/zinc/94/76/65/371947665.db2.gz BWIKTGSXTJMJBR-UHFFFAOYSA-N 0 0 210.664 2.118 10 0 BEAERN FC(F)(F)Cn1nc2c(c1Cl)COCC2 ZINC000306436361 372020774 /nfs/dbraw/zinc/02/07/74/372020774.db2.gz CQYCYGPEVBHKGF-UHFFFAOYSA-N 0 0 240.612 2.172 10 0 BEAERN Cc1cn([C@@H]2CCSC2)c(=S)[nH]1 ZINC000231375064 372022335 /nfs/dbraw/zinc/02/23/35/372022335.db2.gz CHVHDJRTJHELNY-SSDOTTSWSA-N 0 0 200.332 2.158 10 0 BEAERN CC(C)(C)[C@@H](O)c1ncncc1Br ZINC000306441920 372022512 /nfs/dbraw/zinc/02/25/12/372022512.db2.gz VKZKKKPDSAZZAX-QMMMGPOBSA-N 0 0 245.120 2.319 10 0 BEAERN COC[C@H](C)c1nc2c(s1)C(=O)CCC2 ZINC000163692662 372031647 /nfs/dbraw/zinc/03/16/47/372031647.db2.gz PMFUXVUYNVJDSG-ZETCQYMHSA-N 0 0 225.313 2.412 10 0 BEAERN C[C@H](c1nnc2c(Cl)nccn21)C1CC1 ZINC000163711734 372037464 /nfs/dbraw/zinc/03/74/64/372037464.db2.gz OTAHLAWJYZTIRD-LURJTMIESA-N 0 0 222.679 2.291 10 0 BEAERN CC1(C)CN(c2cnc(Br)cn2)C1 ZINC000133442260 372049070 /nfs/dbraw/zinc/04/90/70/372049070.db2.gz QPMOKFNSCMJPRJ-UHFFFAOYSA-N 0 0 242.120 2.085 10 0 BEAERN NC(=S)NCc1cc(Cl)sc1Cl ZINC000306251549 372004251 /nfs/dbraw/zinc/00/42/51/372004251.db2.gz IJRALZMBDODUCL-UHFFFAOYSA-N 0 0 241.168 2.388 10 0 BEAERN COC[C@H](C)c1nc(C)c(C)c(Cl)n1 ZINC000163575617 372014260 /nfs/dbraw/zinc/01/42/60/372014260.db2.gz MCRFKIQZNRYWNA-LURJTMIESA-N 0 0 214.696 2.497 10 0 BEAERN Nc1nc(C(F)F)nc2ccsc21 ZINC000306367330 372014294 /nfs/dbraw/zinc/01/42/94/372014294.db2.gz HILVKGSDSQMAFR-UHFFFAOYSA-N 0 0 201.201 2.211 10 0 BEAERN CC(C)(O)C(C)(C)Nc1nccs1 ZINC000229028809 372109228 /nfs/dbraw/zinc/10/92/28/372109228.db2.gz UVUSUVITSACJRE-UHFFFAOYSA-N 0 0 200.307 2.105 10 0 BEAERN Cc1cccc(-n2ccc(Br)n2)n1 ZINC000307323268 372111685 /nfs/dbraw/zinc/11/16/85/372111685.db2.gz CXJUGGIQSCTYMD-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Fc1ccccc1NCc1cnns1 ZINC000307327121 372111808 /nfs/dbraw/zinc/11/18/08/372111808.db2.gz ODSBXHCQEKVFLN-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN O=C(C1CC1)N1CCO[C@H](c2ccsc2)C1 ZINC000120725385 181862708 /nfs/dbraw/zinc/86/27/08/181862708.db2.gz VSUCHVGLTAEYAK-NSHDSACASA-N 0 0 237.324 2.058 10 0 BEAERN C[C@@H](NC1=NC[C@H](C)S1)C(C)(F)F ZINC000306836997 372071914 /nfs/dbraw/zinc/07/19/14/372071914.db2.gz VGGVZYDIRLEGIF-NTSWFWBYSA-N 0 0 208.277 2.111 10 0 BEAERN Fc1cc(Br)cc(NC2COC2)c1 ZINC000307105757 372086877 /nfs/dbraw/zinc/08/68/77/372086877.db2.gz DGWSIOYRRBYKAI-UHFFFAOYSA-N 0 0 246.079 2.399 10 0 BEAERN Nc1ccc2c(N)nc(-c3ccccc3)nc2c1 ZINC000606301837 372090975 /nfs/dbraw/zinc/09/09/75/372090975.db2.gz GWFAWMXKXJKSEO-UHFFFAOYSA-N 0 0 236.278 2.292 10 0 BEAERN COC(=O)[C@H]1C[C@@H]2C[C@H](F)CC[C@H]2C1 ZINC000606303440 372093443 /nfs/dbraw/zinc/09/34/43/372093443.db2.gz FKFCPOWZHKWWCN-SGIHWFKDSA-N 0 0 200.253 2.324 10 0 BEAERN Cc1nc(-c2cnsc2)cc(=S)[nH]1 ZINC000404594522 372096154 /nfs/dbraw/zinc/09/61/54/372096154.db2.gz OWYUEVPCXINWDD-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Nc1cc(-c2nscc2Br)no1 ZINC000405036121 372134324 /nfs/dbraw/zinc/13/43/24/372134324.db2.gz QXKHEZANTVNJQI-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN C[C@@H]1CC[C@@H]1n1ncc(Br)c1N ZINC000307691949 372139819 /nfs/dbraw/zinc/13/98/19/372139819.db2.gz QQCJQJQEENSKRR-VDTYLAMSSA-N 0 0 230.109 2.199 10 0 BEAERN CC1N=NC(=S)N1CC1CCSCC1 ZINC000229308367 372140957 /nfs/dbraw/zinc/14/09/57/372140957.db2.gz GZIQOUBZNTYDQT-UHFFFAOYSA-N 0 0 229.374 2.018 10 0 BEAERN COC(=O)c1c(OC)ccc(OC)c1Cl ZINC000032255843 372168678 /nfs/dbraw/zinc/16/86/78/372168678.db2.gz QGWQTNFMHGPEDN-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN Clc1cc(NC2CC2)c(Cl)nn1 ZINC000134167437 372173008 /nfs/dbraw/zinc/17/30/08/372173008.db2.gz PYBMAGGIPBSNRA-UHFFFAOYSA-N 0 0 204.060 2.358 10 0 BEAERN CN(C)N[C@H]1CCSc2ccccc21 ZINC000134178903 372173752 /nfs/dbraw/zinc/17/37/52/372173752.db2.gz IYTFQFSBBWAOBO-JTQLQIEISA-N 0 0 208.330 2.290 10 0 BEAERN CC(C)(C)[C@H](NN)c1ccc(Cl)nc1 ZINC000229621682 372174847 /nfs/dbraw/zinc/17/48/47/372174847.db2.gz ZJJQIHDTXRYAGS-SECBINFHSA-N 0 0 213.712 2.286 10 0 BEAERN O=C1CCCc2oc(=O)c3ccccc3c21 ZINC000004228112 372176401 /nfs/dbraw/zinc/17/64/01/372176401.db2.gz MLQXXHGYZQLWJE-UHFFFAOYSA-N 0 0 214.220 2.312 10 0 BEAERN COC(=O)/C=C/c1cc(C)c(O)c(C)c1 ZINC000133872850 372125551 /nfs/dbraw/zinc/12/55/51/372125551.db2.gz FPVPBOMSWVSCLU-SNAWJCMRSA-N 0 0 206.241 2.195 10 0 BEAERN O=Cc1c(F)ccc(OC(F)F)c1F ZINC000307533393 372126940 /nfs/dbraw/zinc/12/69/40/372126940.db2.gz NZKYRMFUVNULOR-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN C[C@@H](Nc1nccnc1Cl)c1cn[nH]c1 ZINC000229733213 372187766 /nfs/dbraw/zinc/18/77/66/372187766.db2.gz NDLZKNGNMWAROH-ZCFIWIBFSA-N 0 0 223.667 2.026 10 0 BEAERN c1ccc(CONC[C@@H]2CCC=CO2)cc1 ZINC000134266765 372189270 /nfs/dbraw/zinc/18/92/70/372189270.db2.gz JLJQSAUFYBUWMD-ZDUSSCGKSA-N 0 0 219.284 2.401 10 0 BEAERN c1ccc(CONC[C@H]2CCC=CO2)cc1 ZINC000134266788 372189811 /nfs/dbraw/zinc/18/98/11/372189811.db2.gz JLJQSAUFYBUWMD-CYBMUJFWSA-N 0 0 219.284 2.401 10 0 BEAERN Cc1ccc([C@H](NN)C(F)F)cc1C ZINC000229803290 372196695 /nfs/dbraw/zinc/19/66/95/372196695.db2.gz FOEZTHGQSGKFPM-VIFPVBQESA-N 0 0 200.232 2.073 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000139948917 372296168 /nfs/dbraw/zinc/29/61/68/372296168.db2.gz SLYQEJBYVKKBNK-YPMHNXCESA-N 0 0 249.310 2.168 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000139949205 372296207 /nfs/dbraw/zinc/29/62/07/372296207.db2.gz SLYQEJBYVKKBNK-WCQYABFASA-N 0 0 249.310 2.168 10 0 BEAERN CCCCN1c2ccc(F)cc2C(=O)C1=O ZINC000008731870 168825009 /nfs/dbraw/zinc/82/50/09/168825009.db2.gz CNVDMOOPZHYFTR-UHFFFAOYSA-N 0 0 221.231 2.155 10 0 BEAERN O=C(CC1=CCCCC1)N1CC[C@H](CCO)C1 ZINC000123115653 181883558 /nfs/dbraw/zinc/88/35/58/181883558.db2.gz CFPHIHWNFDNJCI-CYBMUJFWSA-N 0 0 237.343 2.108 10 0 BEAERN Cc1ccc(OCC(=O)N[C@H]2C[C@H]2C)c(C)c1 ZINC000171059838 372283627 /nfs/dbraw/zinc/28/36/27/372283627.db2.gz LNFNSOPAVTXKGA-PWSUYJOCSA-N 0 0 233.311 2.207 10 0 BEAERN C[C@H](O)c1cc(F)ccc1N1CCCC1=O ZINC000139999011 372338535 /nfs/dbraw/zinc/33/85/35/372338535.db2.gz GUWNJZLHZQVLRG-QMMMGPOBSA-N 0 0 223.247 2.006 10 0 BEAERN CCC1CCC(NC(=O)CCOC)CC1 ZINC000171267996 372528513 /nfs/dbraw/zinc/52/85/13/372528513.db2.gz VRABBZPOXJJFET-UHFFFAOYSA-N 0 0 213.321 2.108 10 0 BEAERN COC[C@H](C)C(=O)NCc1cc2ccccc2o1 ZINC000171451101 372589010 /nfs/dbraw/zinc/58/90/10/372589010.db2.gz XXMXXVKWTCOQJX-JTQLQIEISA-N 0 0 247.294 2.332 10 0 BEAERN C[C@H]1CN(C(=O)CC(C)(C)C)CCS1 ZINC000171573709 372698689 /nfs/dbraw/zinc/69/86/89/372698689.db2.gz DCNALBHTERMAGR-VIFPVBQESA-N 0 0 215.362 2.387 10 0 BEAERN O=C(CF)NCc1ccc(Br)cc1 ZINC000003643983 181954559 /nfs/dbraw/zinc/95/45/59/181954559.db2.gz ZRGCGXABDWGNHA-UHFFFAOYSA-N 0 0 246.079 2.035 10 0 BEAERN Cc1cc(C)c(O)c(Br)n1 ZINC000140669272 372748068 /nfs/dbraw/zinc/74/80/68/372748068.db2.gz ZYPNEBPBGANTQX-UHFFFAOYSA-N 0 0 202.051 2.167 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccc2ncccc2c1 ZINC000140846067 372807715 /nfs/dbraw/zinc/80/77/15/372807715.db2.gz MWQPXLZDUJNNNA-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN Cc1ccc2c(c1)C(=O)C[C@H](C)[S@@]2=O ZINC000038974449 372838870 /nfs/dbraw/zinc/83/88/70/372838870.db2.gz YZSUKYPILWHVQV-RMLUDKJBSA-N 0 0 208.282 2.078 10 0 BEAERN O=C(CSc1ccc(F)cc1)N1CCCO1 ZINC000125436117 182009319 /nfs/dbraw/zinc/00/93/19/182009319.db2.gz REHMCUITVJWDCP-UHFFFAOYSA-N 0 0 241.287 2.082 10 0 BEAERN COC(=O)/C=C/c1ccc(OC)c(C)c1 ZINC000039192798 372901212 /nfs/dbraw/zinc/90/12/12/372901212.db2.gz FPSKIGPILLXUNA-FNORWQNLSA-N 0 0 206.241 2.190 10 0 BEAERN Cc1ccc2cc(CO)c(=O)n(CC(C)C)c2c1 ZINC000039288599 372932440 /nfs/dbraw/zinc/93/24/40/372932440.db2.gz ZTSPJCMCIUYMRX-UHFFFAOYSA-N 0 0 245.322 2.458 10 0 BEAERN O=C(Cc1ccccc1F)CN1C[C@H]2CC[C@@H]1C2 ZINC000049716424 182045279 /nfs/dbraw/zinc/04/52/79/182045279.db2.gz VPIKTLYSZADDQA-WCQYABFASA-N 0 0 247.313 2.422 10 0 BEAERN O=C(Cc1cccs1)OCCc1ccncc1 ZINC000098087690 182053265 /nfs/dbraw/zinc/05/32/65/182053265.db2.gz PMJRKDOVDOLSGX-UHFFFAOYSA-N 0 0 247.319 2.472 10 0 BEAERN O=C(Cc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000034940199 182061844 /nfs/dbraw/zinc/06/18/44/182061844.db2.gz JUGGPLIAUBVOSV-LBPRGKRZSA-N 0 0 231.251 2.118 10 0 BEAERN O=C(Cc1ccoc1)N[C@@H]1COc2ccccc21 ZINC000121674946 182056859 /nfs/dbraw/zinc/05/68/59/182056859.db2.gz NOTOWVOQQROMSF-GFCCVEGCSA-N 0 0 243.262 2.072 10 0 BEAERN O=C(CN1CCc2sccc2C1)C1CC1 ZINC000068895605 373087328 /nfs/dbraw/zinc/08/73/28/373087328.db2.gz JGJBFLWTFHMNEZ-UHFFFAOYSA-N 0 0 221.325 2.085 10 0 BEAERN Cc1[nH]c(C(=O)[C@H]2CCOC2)c(C)c1C ZINC000068944215 373095212 /nfs/dbraw/zinc/09/52/12/373095212.db2.gz ZAJWDUKPYJMSGX-JTQLQIEISA-N 0 0 207.273 2.159 10 0 BEAERN CC(C)(C)[C@H]1CCc2[nH]c(C=O)nc2C1 ZINC000068945606 373095392 /nfs/dbraw/zinc/09/53/92/373095392.db2.gz ZCKGHWJARIRQKU-QMMMGPOBSA-N 0 0 206.289 2.373 10 0 BEAERN O=Cc1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000068945582 373097135 /nfs/dbraw/zinc/09/71/35/373097135.db2.gz QSEXPJKYOJCOBR-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN CCn1nccc1-c1ccccc1C=O ZINC000069022557 373105999 /nfs/dbraw/zinc/10/59/99/373105999.db2.gz KPAROZWFRJGOJD-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CC(=O)c1cccc(-c2ccnn2C)c1 ZINC000069020239 373106476 /nfs/dbraw/zinc/10/64/76/373106476.db2.gz VYEOHFGVLUVMNZ-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN OCc1c(F)cc(OC(F)F)cc1F ZINC000142368118 373216853 /nfs/dbraw/zinc/21/68/53/373216853.db2.gz DTUTVFNBZBRDFZ-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN CC(=O)O[C@H]1CCCc2cc(C)cnc21 ZINC000039213581 205466151 /nfs/dbraw/zinc/46/61/51/205466151.db2.gz RPDAFZMUVCBGSA-NSHDSACASA-N 0 0 205.257 2.331 10 0 BEAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1CC1 ZINC000041423784 205466729 /nfs/dbraw/zinc/46/67/29/205466729.db2.gz CHEVYIPWKNMXMC-BXUZGUMPSA-N 0 0 245.322 2.385 10 0 BEAERN O=C(NC1CC1)N1C[C@H]2CCCCC[C@H]21 ZINC000370253804 182095840 /nfs/dbraw/zinc/09/58/40/182095840.db2.gz ZRNJMVFBTMXFGU-MWLCHTKSSA-N 0 0 208.305 2.123 10 0 BEAERN O=C(NC1CCCC1)C(=O)c1ccc(F)cc1 ZINC000049827117 182107962 /nfs/dbraw/zinc/10/79/62/182107962.db2.gz ZXIPKVKRTOYOKP-UHFFFAOYSA-N 0 0 235.258 2.067 10 0 BEAERN O=C(NC1CCSCC1)N1C[C@@H]2CCC[C@@H]21 ZINC000336526352 182118209 /nfs/dbraw/zinc/11/82/09/182118209.db2.gz BJBFQQKMMJTGHQ-ONGXEEELSA-N 0 0 240.372 2.076 10 0 BEAERN O=C(NC1CCSCC1)N1C[C@H]2CCC[C@@H]21 ZINC000336526350 182118540 /nfs/dbraw/zinc/11/85/40/182118540.db2.gz BJBFQQKMMJTGHQ-KOLCDFICSA-N 0 0 240.372 2.076 10 0 BEAERN Nc1ccn(-c2ncc(Cl)cc2Cl)n1 ZINC000040516811 373419512 /nfs/dbraw/zinc/41/95/12/373419512.db2.gz BTCYTVKXUQJDPR-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN O=C(NCC(F)(F)F)c1cnccc1Cl ZINC000088109228 182124291 /nfs/dbraw/zinc/12/42/91/182124291.db2.gz OFXUBDKVOCYRDU-UHFFFAOYSA-N 0 0 238.596 2.027 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000180958526 205661935 /nfs/dbraw/zinc/66/19/35/205661935.db2.gz ZGKLJIOPDCMJIR-KXUCPTDWSA-N 0 0 240.347 2.040 10 0 BEAERN O=C(NCCC1=CCCC1)c1cscn1 ZINC000130948155 182151279 /nfs/dbraw/zinc/15/12/79/182151279.db2.gz CXIWONPZEJCMCK-UHFFFAOYSA-N 0 0 222.313 2.373 10 0 BEAERN C[C@@H]1CSCCN1c1cc(Cl)ncn1 ZINC000069762783 373728577 /nfs/dbraw/zinc/72/85/77/373728577.db2.gz OFULEJSUNWJBIC-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN CCCC[C@@H](C)C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633870562 373828231 /nfs/dbraw/zinc/82/82/31/373828231.db2.gz HSOGTNFLNDAOSK-IJLUTSLNSA-N 0 0 227.348 2.185 10 0 BEAERN CC(C)C[C@@H](C)C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633871122 373829615 /nfs/dbraw/zinc/82/96/15/373829615.db2.gz TVOFMQHLJFTECK-IJLUTSLNSA-N 0 0 227.348 2.040 10 0 BEAERN O=C(NC[C@@H]1CCCCC1=O)c1ccccc1 ZINC000015771156 182223379 /nfs/dbraw/zinc/22/33/79/182223379.db2.gz FREXZTZMFIJEMQ-LBPRGKRZSA-N 0 0 231.295 2.176 10 0 BEAERN COC(=O)CCC(=O)c1ccc(C)cc1F ZINC000381444966 374121105 /nfs/dbraw/zinc/12/11/05/374121105.db2.gz AUCKUQDPCCIHPA-UHFFFAOYSA-N 0 0 224.231 2.270 10 0 BEAERN COc1c(F)cc(C(C)=O)c(F)c1F ZINC000143102840 374135103 /nfs/dbraw/zinc/13/51/03/374135103.db2.gz ISUWCCMJJYMMQD-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN Nc1ccc(Oc2nncs2)c(F)c1 ZINC000069967096 374104861 /nfs/dbraw/zinc/10/48/61/374104861.db2.gz MLYGWSNLHROIGF-UHFFFAOYSA-N 0 0 211.221 2.052 10 0 BEAERN Cc1ccc(N)c(Oc2nncs2)c1 ZINC000069967089 374104948 /nfs/dbraw/zinc/10/49/48/374104948.db2.gz BQGHQFJJNJDOFP-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccon1 ZINC000111049038 182230468 /nfs/dbraw/zinc/23/04/68/182230468.db2.gz CZFNLVWYINTOPM-RYUDHWBXSA-N 0 0 242.278 2.208 10 0 BEAERN CSCCC(=O)c1ccc2c(c1)OCCO2 ZINC000069984310 374106712 /nfs/dbraw/zinc/10/67/12/374106712.db2.gz CKDYPCRDKRXFQI-UHFFFAOYSA-N 0 0 238.308 2.394 10 0 BEAERN CCC(C)(C)CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000192203024 205945553 /nfs/dbraw/zinc/94/55/53/205945553.db2.gz ZFNJUKFQLIJDIF-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN C[C@H](NC1=N[C@H](C)CS1)c1nccs1 ZINC000070734423 374182283 /nfs/dbraw/zinc/18/22/83/374182283.db2.gz QLKDZTVYOWHRIN-RQJHMYQMSA-N 0 0 227.358 2.285 10 0 BEAERN CONCc1ccc(F)c(Br)c1 ZINC000070268923 374136837 /nfs/dbraw/zinc/13/68/37/374136837.db2.gz LVDANPSICFUZKD-UHFFFAOYSA-N 0 0 234.068 2.239 10 0 BEAERN CNN=Cc1ccc(Br)s1 ZINC000381937211 374169095 /nfs/dbraw/zinc/16/90/95/374169095.db2.gz UFPKYFADXJTQBM-UHFFFAOYSA-N 0 0 219.107 2.064 10 0 BEAERN Cc1cccc(C(=O)c2ccc[nH]2)c1N ZINC000070671503 374171076 /nfs/dbraw/zinc/17/10/76/374171076.db2.gz MEPZLOLEUHCNOG-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN C[C@H]1CN(c2nsnc2Cl)CC(C)(C)O1 ZINC000041684194 374174756 /nfs/dbraw/zinc/17/47/56/374174756.db2.gz AYFFILIVLNFNSS-LURJTMIESA-N 0 0 247.751 2.195 10 0 BEAERN Cc1ccn(CC(=O)c2ccccc2)n1 ZINC000070685686 374176723 /nfs/dbraw/zinc/17/67/23/374176723.db2.gz WKVDALDKLHYMOH-UHFFFAOYSA-N 0 0 200.241 2.074 10 0 BEAERN CC[C@H](C(N)=S)n1cc(Cl)c(C)n1 ZINC000070689378 374177285 /nfs/dbraw/zinc/17/72/85/374177285.db2.gz PDJGWQVTMPJTDA-SSDOTTSWSA-N 0 0 217.725 2.082 10 0 BEAERN Cc1nn(-c2cccc(F)n2)cc1Cl ZINC000070703993 374178164 /nfs/dbraw/zinc/17/81/64/374178164.db2.gz MFANCVXZFIETED-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN O=C(NCc1cccc(O)c1)c1ccc(O)cc1 ZINC000038032078 182254811 /nfs/dbraw/zinc/25/48/11/182254811.db2.gz JAFNQDQGIMVBFG-UHFFFAOYSA-N 0 0 243.262 2.028 10 0 BEAERN CC(=O)c1csc(N2CC[C@@H](C)C2)n1 ZINC000070849528 374204658 /nfs/dbraw/zinc/20/46/58/374204658.db2.gz CVFCRBDNSHXOTB-SSDOTTSWSA-N 0 0 210.302 2.192 10 0 BEAERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000110452366 182246738 /nfs/dbraw/zinc/24/67/38/182246738.db2.gz GYSAQTOHXOGHNK-CHWSQXEVSA-N 0 0 215.296 2.316 10 0 BEAERN Cc1cc2nc3c(c(Cl)n2n1)CCC3 ZINC000071466633 374271928 /nfs/dbraw/zinc/27/19/28/374271928.db2.gz XZHXUOLQVBQPFA-UHFFFAOYSA-N 0 0 207.664 2.180 10 0 BEAERN Nc1ccc(-c2cccc3c(=O)[nH][nH]c32)cc1 ZINC000143627838 374234433 /nfs/dbraw/zinc/23/44/33/374234433.db2.gz PUXUMHYQPKBOJU-UHFFFAOYSA-N 0 0 225.251 2.105 10 0 BEAERN O[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000070963604 374235527 /nfs/dbraw/zinc/23/55/27/374235527.db2.gz SKYMIWXAXSIIHI-NSHDSACASA-N 0 0 212.676 2.034 10 0 BEAERN CC(C)Cc1noc([C@@H]2CCCC2=O)n1 ZINC000070996687 374237797 /nfs/dbraw/zinc/23/77/97/374237797.db2.gz CIRXXOQEZWMLIC-MRVPVSSYSA-N 0 0 208.261 2.105 10 0 BEAERN CC(=O)[C@H](C)c1nc(-c2cccs2)no1 ZINC000070996671 374238072 /nfs/dbraw/zinc/23/80/72/374238072.db2.gz WKWGMNXLARQYDP-LURJTMIESA-N 0 0 222.269 2.491 10 0 BEAERN CC(=O)[C@H](C)c1nc(-c2ccsc2)no1 ZINC000070996994 374238761 /nfs/dbraw/zinc/23/87/61/374238761.db2.gz BRVCBAJSVKNUEO-LURJTMIESA-N 0 0 222.269 2.491 10 0 BEAERN CC(=O)[C@H](C)c1nc(-c2ccco2)no1 ZINC000070997084 374238876 /nfs/dbraw/zinc/23/88/76/374238876.db2.gz GAVRCIVARZWIFP-LURJTMIESA-N 0 0 206.201 2.022 10 0 BEAERN CN(C)c1nc(Cl)c2c(n1)CCCCC2 ZINC000071002685 374240092 /nfs/dbraw/zinc/24/00/92/374240092.db2.gz BUOPCAYAHOSQLH-UHFFFAOYSA-N 0 0 225.723 2.465 10 0 BEAERN O[C@H](Cc1ccc(Br)cn1)C1CC1 ZINC000071004942 374240869 /nfs/dbraw/zinc/24/08/69/374240869.db2.gz IMLADJRFNWBGNM-SNVBAGLBSA-N 0 0 242.116 2.158 10 0 BEAERN Clc1ccc2nc(-c3ccncc3)cn2n1 ZINC000042769036 374287723 /nfs/dbraw/zinc/28/77/23/374287723.db2.gz PWXQCAAXMHCNGQ-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN O=C(N[C@H]1C[C@H]1c1ccccc1)C(F)(F)F ZINC000032137337 182344806 /nfs/dbraw/zinc/34/48/06/182344806.db2.gz ONHHCCWIZDGBTO-IUCAKERBSA-N 0 0 229.201 2.221 10 0 BEAERN O=C(N[C@H]1CCc2c1cccc2F)[C@H]1CCCO1 ZINC000049352595 182340764 /nfs/dbraw/zinc/34/07/64/182340764.db2.gz DDUSJOMASJUXSJ-QWHCGFSZSA-N 0 0 249.285 2.108 10 0 BEAERN O=C(N[C@H]1CCc2ccccc21)N1CCCC1 ZINC000045299426 182341532 /nfs/dbraw/zinc/34/15/32/182341532.db2.gz XWUNUDGZVGXIAZ-ZDUSSCGKSA-N 0 0 230.311 2.479 10 0 BEAERN O=C(Nc1cc[nH]n1)c1cc2ccccc2o1 ZINC000042413965 182351810 /nfs/dbraw/zinc/35/18/10/182351810.db2.gz YMGLUQLKOCGZMX-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1CO ZINC000219069731 182375903 /nfs/dbraw/zinc/37/59/03/182375903.db2.gz SBUOBHLFSAHRPF-WCQYABFASA-N 0 0 248.326 2.359 10 0 BEAERN O=C(Nc1ccccn1)[C@H]1C[C@H]1c1ccco1 ZINC000123374429 182382219 /nfs/dbraw/zinc/38/22/19/182382219.db2.gz UGVVOUOPQWRPOR-ZJUUUORDSA-N 0 0 228.251 2.417 10 0 BEAERN O=C(Nc1cccnc1)c1ccc2ocnc2c1 ZINC000103265269 182383595 /nfs/dbraw/zinc/38/35/95/182383595.db2.gz ZMHMHCDHXFTWCZ-UHFFFAOYSA-N 0 0 239.234 2.475 10 0 BEAERN O=C(Nc1ccnc2ccccc21)c1cc[nH]n1 ZINC000211643277 182385464 /nfs/dbraw/zinc/38/54/64/182385464.db2.gz YJAIZVSBTLYYAS-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN CCCCNc1cc2c(cc1N)NC(=O)CC2 ZINC000035341228 168878791 /nfs/dbraw/zinc/87/87/91/168878791.db2.gz BAKAOAPJQAYXSL-UHFFFAOYSA-N 0 0 233.315 2.366 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000037967434 182502722 /nfs/dbraw/zinc/50/27/22/182502722.db2.gz DWMMVCRETSCSTF-NSHDSACASA-N 0 0 239.702 2.465 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](c2cc(F)ccc2Cl)[NH2+]1 ZINC000096878366 182540174 /nfs/dbraw/zinc/54/01/74/182540174.db2.gz GXSMBQVVSPVWKL-NXEZZACHSA-N 0 0 243.665 2.357 10 0 BEAERN CCOC(=O)CN[C@H](CC)c1cccs1 ZINC000037472528 170226782 /nfs/dbraw/zinc/22/67/82/170226782.db2.gz STSCRUHPXADQSJ-SECBINFHSA-N 0 0 227.329 2.352 10 0 BEAERN O=C(c1ccc2c(c1)CCN2)C(F)(F)F ZINC000031947566 182666198 /nfs/dbraw/zinc/66/61/98/182666198.db2.gz GZQQFXOKCWGAHP-UHFFFAOYSA-N 0 0 215.174 2.400 10 0 BEAERN CCCCOCC(=O)Nc1ccc(C)cc1N ZINC000037285475 168893361 /nfs/dbraw/zinc/89/33/61/168893361.db2.gz PJOWIOCARAOVCX-UHFFFAOYSA-N 0 0 236.315 2.332 10 0 BEAERN O=C(n1cnc2ccccc21)C(F)(F)F ZINC000075284824 182710838 /nfs/dbraw/zinc/71/08/38/182710838.db2.gz BQOFNPFNXUEMPE-UHFFFAOYSA-N 0 0 214.146 2.239 10 0 BEAERN O=C1CC2(CN1)CCC(C(F)(F)F)CC2 ZINC000085134389 182721016 /nfs/dbraw/zinc/72/10/16/182721016.db2.gz FCRFMIMSOZJWGA-UHFFFAOYSA-N 0 0 221.222 2.245 10 0 BEAERN O=C1CCC2=C(CCc3cc(F)ccc32)N1 ZINC000013861366 182725081 /nfs/dbraw/zinc/72/50/81/182725081.db2.gz FYCUNXXKORUIDD-UHFFFAOYSA-N 0 0 217.243 2.393 10 0 BEAERN O=C(c1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000071556887 182755575 /nfs/dbraw/zinc/75/55/75/182755575.db2.gz LXRXWCSMBGTMQS-UHFFFAOYSA-N 0 0 243.184 2.316 10 0 BEAERN O=C1CCOc2cc(Br)ccc2N1 ZINC000062533530 182745121 /nfs/dbraw/zinc/74/51/21/182745121.db2.gz KBSBYIYQCNVRBQ-UHFFFAOYSA-N 0 0 242.072 2.170 10 0 BEAERN O=C1Cc2ccncc2N1Cc1ccccc1 ZINC000299889814 182788686 /nfs/dbraw/zinc/78/86/86/182788686.db2.gz PBRVXYAJETYUEH-UHFFFAOYSA-N 0 0 224.263 2.171 10 0 BEAERN CCCCOC[C@@H](O)CN1CCc2ccccc21 ZINC000033674603 168905559 /nfs/dbraw/zinc/90/55/59/168905559.db2.gz HKFNAOQJKVWBNH-AWEZNQCLSA-N 0 0 249.354 2.227 10 0 BEAERN O=C1c2ccccc2C(=O)N1CCc1ccco1 ZINC000049830431 182844886 /nfs/dbraw/zinc/84/48/86/182844886.db2.gz DDBXDGNRINFYTP-UHFFFAOYSA-N 0 0 241.246 2.118 10 0 BEAERN CCOC(=O)c1cc(Cl)nc(SC)n1 ZINC000001676610 170292370 /nfs/dbraw/zinc/29/23/70/170292370.db2.gz QXACMWWXHUOJFI-UHFFFAOYSA-N 0 0 232.692 2.029 10 0 BEAERN CCOC(=O)c1ccc2c(ccn2C)c1 ZINC000259137496 170297928 /nfs/dbraw/zinc/29/79/28/170297928.db2.gz IJCDMVAHVLDCPF-UHFFFAOYSA-N 0 0 203.241 2.355 10 0 BEAERN O=Cc1c(-c2ccncc2)nc2sccn12 ZINC000051951699 182859181 /nfs/dbraw/zinc/85/91/81/182859181.db2.gz NXCJMMOKFQJPSX-UHFFFAOYSA-N 0 0 229.264 2.270 10 0 BEAERN O=Cc1cc(CCc2cccnc2)ccc1O ZINC000082293777 182862358 /nfs/dbraw/zinc/86/23/58/182862358.db2.gz PIUSRGYVMMEPRU-UHFFFAOYSA-N 0 0 227.263 2.385 10 0 BEAERN O=Cc1cc2ccccc2nc1-n1cccn1 ZINC000034957047 182864577 /nfs/dbraw/zinc/86/45/77/182864577.db2.gz CIOSOBQAPFNDPF-UHFFFAOYSA-N 0 0 223.235 2.233 10 0 BEAERN O=Cc1cncc(Br)c1OC1CC1 ZINC000095741667 182874327 /nfs/dbraw/zinc/87/43/27/182874327.db2.gz RLOHKLRGZUWNSW-UHFFFAOYSA-N 0 0 242.072 2.198 10 0 BEAERN CCCCO[C@@H](C)C(=O)N[C@@H](C)C(C)C ZINC000123897057 168909428 /nfs/dbraw/zinc/90/94/28/168909428.db2.gz HDVIYUVGJBQCJE-QWRGUYRKSA-N 0 0 215.337 2.352 10 0 BEAERN CC(C)C[C@@H](C)NC(=O)c1ncncc1Cl ZINC000178687884 134312854 /nfs/dbraw/zinc/31/28/54/134312854.db2.gz KFERHQKVOSGCTD-MRVPVSSYSA-N 0 0 241.722 2.294 10 0 BEAERN O=S(=O)(c1cccc(F)c1)c1ccccn1 ZINC000201337595 182904549 /nfs/dbraw/zinc/90/45/49/182904549.db2.gz XASCTPHZGQGZGE-UHFFFAOYSA-N 0 0 237.255 2.054 10 0 BEAERN O=S1(=O)CC=C(c2ccccc2Cl)C1 ZINC000040173754 182907917 /nfs/dbraw/zinc/90/79/17/182907917.db2.gz ATCLMISCRVZVOJ-UHFFFAOYSA-N 0 0 228.700 2.152 10 0 BEAERN O=c1[nH]cc(-c2ccncc2)cc1Cl ZINC000047212543 182976386 /nfs/dbraw/zinc/97/63/86/182976386.db2.gz KJNIGBGATASAIU-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1[nH]c2cccnc2c2ccsc21 ZINC000013555215 182976454 /nfs/dbraw/zinc/97/64/54/182976454.db2.gz DFGAHPGOXCAQBB-UHFFFAOYSA-N 0 0 202.238 2.138 10 0 BEAERN O=c1ccc2[nH]ccc2n1-c1ccccc1 ZINC000164967897 183000857 /nfs/dbraw/zinc/00/08/57/183000857.db2.gz XQVIKYZMZNDFFP-UHFFFAOYSA-N 0 0 210.236 2.319 10 0 BEAERN O=c1ccc2cc(-c3cccnc3)cc(O)c2[nH]1 ZINC000026499291 183001464 /nfs/dbraw/zinc/00/14/64/183001464.db2.gz TWDQTAOEKCWGDR-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN O=c1oc(-c2ccc(Cl)cc2)ns1 ZINC000000335110 183011807 /nfs/dbraw/zinc/01/18/07/183011807.db2.gz FHAPVFFWHRPZFA-UHFFFAOYSA-N 0 0 213.645 2.417 10 0 BEAERN O=c1ncc(-c2ccccc2Cl)c[nH]1 ZINC000034103151 183011841 /nfs/dbraw/zinc/01/18/41/183011841.db2.gz JIFHLLWARYNFLN-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1cc[nH]c(-c2c(F)cccc2F)c1 ZINC000065355753 182995699 /nfs/dbraw/zinc/99/56/99/182995699.db2.gz ZZIXDTZSNYXASP-UHFFFAOYSA-N 0 0 207.179 2.320 10 0 BEAERN OC1CCC(Nc2ccnc(Cl)c2)CC1 ZINC000223585674 183029273 /nfs/dbraw/zinc/02/92/73/183029273.db2.gz JEODAVSRQIFWHX-UHFFFAOYSA-N 0 0 226.707 2.450 10 0 BEAERN OC1CCC(Nc2ncnc3ccsc32)CC1 ZINC000009256510 183029796 /nfs/dbraw/zinc/02/97/96/183029796.db2.gz BPNVTQIAIYGUDL-UHFFFAOYSA-N 0 0 249.339 2.407 10 0 BEAERN O=c1scnn1CCC(Cl)(Cl)Cl ZINC000187699014 183014495 /nfs/dbraw/zinc/01/44/95/183014495.db2.gz WIHLYIRSMDRVFO-UHFFFAOYSA-N 0 0 247.534 2.065 10 0 BEAERN O=C1CCC[C@H](c2nc(CC(F)(F)F)no2)N1 ZINC000329766676 183025500 /nfs/dbraw/zinc/02/55/00/183025500.db2.gz YLZKDONQJFFNQZ-RXMQYKEDSA-N 0 0 249.192 2.356 10 0 BEAERN O=C1NCc2c1cccc2N[C@@H]1CCCOCC1 ZINC000329450233 183025654 /nfs/dbraw/zinc/02/56/54/183025654.db2.gz OPZGHFNSCUJHGC-SNVBAGLBSA-N 0 0 246.310 2.486 10 0 BEAERN OCCC1(CNc2ccnc(C3CC3)n2)CCC1 ZINC000132632587 183042712 /nfs/dbraw/zinc/04/27/12/183042712.db2.gz KELHTADNYMFCBJ-UHFFFAOYSA-N 0 0 247.342 2.319 10 0 BEAERN OC1c2ccccc2C(O)c2ccccc21 ZINC000030730360 183032691 /nfs/dbraw/zinc/03/26/91/183032691.db2.gz WJPAOCLCEGUSMF-UHFFFAOYSA-N 0 0 212.248 2.163 10 0 in-vitro BEAERN OCCCCCc1nc2cc(F)ccc2[nH]1 ZINC000026462231 183049135 /nfs/dbraw/zinc/04/91/35/183049135.db2.gz UUHFKXHYCRVPEH-UHFFFAOYSA-N 0 0 222.263 2.407 10 0 BEAERN OCC1(Nc2ccc(F)cc2)CCSCC1 ZINC000041058900 183039935 /nfs/dbraw/zinc/03/99/35/183039935.db2.gz CUSCWUCOTKWYKM-UHFFFAOYSA-N 0 0 241.331 2.496 10 0 BEAERN OCCCNc1nccc2sccc21 ZINC000035687746 183060860 /nfs/dbraw/zinc/06/08/60/183060860.db2.gz JWYAPTUBXUEJNY-UHFFFAOYSA-N 0 0 208.286 2.091 10 0 BEAERN OCCN(c1ccc(F)cn1)C1CCCCC1 ZINC000042525763 183071888 /nfs/dbraw/zinc/07/18/88/183071888.db2.gz XLGIYRHDZYFSRM-UHFFFAOYSA-N 0 0 238.306 2.352 10 0 BEAERN OC[C@@H](Nc1ccccc1Cl)[C@@H]1CCOC1 ZINC000038113499 183111712 /nfs/dbraw/zinc/11/17/12/183111712.db2.gz VUAIFYBMOOVCKD-BXKDBHETSA-N 0 0 241.718 2.149 10 0 BEAERN OC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006116732 183113741 /nfs/dbraw/zinc/11/37/41/183113741.db2.gz IMXUYOYYNZMNDM-CQSZACIVSA-N 0 0 244.290 2.086 10 0 BEAERN OCC[C@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000229349410 183099053 /nfs/dbraw/zinc/09/90/53/183099053.db2.gz PKRCCHMXJBAHEK-GFCCVEGCSA-N 0 0 242.322 2.444 10 0 BEAERN OCCc1ccc(C2=C[C@H](O)CCC2)cc1 ZINC000033865055 183100805 /nfs/dbraw/zinc/10/08/05/183100805.db2.gz YRTJDFIGZGHQFZ-CQSZACIVSA-N 0 0 218.296 2.150 10 0 BEAERN CCCC[C@H](O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000040247799 169012816 /nfs/dbraw/zinc/01/28/16/169012816.db2.gz YSMCJHYGJQYXGE-NSHDSACASA-N 0 0 220.272 2.080 10 0 BEAERN OC[C@@H](NC1CC1)c1c(F)cccc1Cl ZINC000038124301 183107513 /nfs/dbraw/zinc/10/75/13/183107513.db2.gz NDLWRGZJJTUERI-SNVBAGLBSA-N 0 0 229.682 2.265 10 0 BEAERN OC[C@@H](Nc1ccncc1Cl)c1ccco1 ZINC000301595379 183111300 /nfs/dbraw/zinc/11/13/00/183111300.db2.gz YWZJXKKNNYYBHA-SNVBAGLBSA-N 0 0 238.674 2.474 10 0 BEAERN CCCCc1cc(NC(=O)CSC)n[nH]1 ZINC000049496252 169018510 /nfs/dbraw/zinc/01/85/10/169018510.db2.gz KLWPTVWKQGVLIM-UHFFFAOYSA-N 0 0 227.333 2.054 10 0 BEAERN OC[C@@]1(Nc2ccccc2F)CCCSC1 ZINC000061590889 183136257 /nfs/dbraw/zinc/13/62/57/183136257.db2.gz UVLWZHCTRARMKU-LBPRGKRZSA-N 0 0 241.331 2.496 10 0 BEAERN OC[C@H](Nc1ccccc1F)[C@H]1CCCOC1 ZINC000104313203 183142130 /nfs/dbraw/zinc/14/21/30/183142130.db2.gz QIXYGEWRDCEWCI-GWCFXTLKSA-N 0 0 239.290 2.025 10 0 BEAERN OC[C@H](Nc1cccc(F)c1)C1CCOCC1 ZINC000052179735 183142399 /nfs/dbraw/zinc/14/23/99/183142399.db2.gz ODUUPPHQKRCMCY-ZDUSSCGKSA-N 0 0 239.290 2.025 10 0 BEAERN CCCC[P@](=O)([O-])C1=CC[C@@H]([NH3+])C1 ZINC000035923715 169015894 /nfs/dbraw/zinc/01/58/94/169015894.db2.gz WCUPFODMXRJZNL-MRVPVSSYSA-N 0 0 203.222 2.062 10 0 BEAERN CCCC[C@]1(CC)COC(=O)[C@@H]1N(C)C ZINC000039101660 169016571 /nfs/dbraw/zinc/01/65/71/169016571.db2.gz QSNAHENBSYMGGT-CMPLNLGQSA-N 0 0 213.321 2.060 10 0 BEAERN CCCCN1C(=S)N=NC1c1ccccn1 ZINC000034974873 169035413 /nfs/dbraw/zinc/03/54/13/169035413.db2.gz MMAQMBCGGLTSIN-UHFFFAOYSA-N 0 0 234.328 2.429 10 0 BEAERN CCCCn1nc(C)c(Br)c1N ZINC000020313769 169038591 /nfs/dbraw/zinc/03/85/91/169038591.db2.gz FYEMIRVQUPJGEY-UHFFFAOYSA-N 0 0 232.125 2.336 10 0 BEAERN OCc1ccc(Cn2cc[nH]c2=S)cc1 ZINC000026673311 183165080 /nfs/dbraw/zinc/16/50/80/183165080.db2.gz SZNDZIPMPIXBCW-UHFFFAOYSA-N 0 0 220.297 2.086 10 0 BEAERN OCc1c[nH]c(-c2ccc3ccccc3n2)n1 ZINC000063076646 183160500 /nfs/dbraw/zinc/16/05/00/183160500.db2.gz IAUPFYIPVDAVTJ-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN OCc1ccc(-c2ccc(Cl)cn2)nc1 ZINC000072204252 183161704 /nfs/dbraw/zinc/16/17/04/183161704.db2.gz NTKIZVJUSONTHO-UHFFFAOYSA-N 0 0 220.659 2.289 10 0 BEAERN OCc1ccc2cc(Br)ccc2n1 ZINC000057349118 183167632 /nfs/dbraw/zinc/16/76/32/183167632.db2.gz FAYMUBBAEWEMTD-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1cccc(N[C@@H]2CCCSC2)c1 ZINC000061576912 183168079 /nfs/dbraw/zinc/16/80/79/183168079.db2.gz XEBJYIYZTDDHQG-GFCCVEGCSA-N 0 0 223.341 2.486 10 0 BEAERN OCc1ccccc1OCCc1cccnc1 ZINC000041251155 183168613 /nfs/dbraw/zinc/16/86/13/183168613.db2.gz VFADQZHYAAXIBJ-UHFFFAOYSA-N 0 0 229.279 2.195 10 0 BEAERN O[C@@H](Nc1ccccn1)c1ccccc1 ZINC000238697477 183184660 /nfs/dbraw/zinc/18/46/60/183184660.db2.gz SSFJOXFHWQTMIK-GFCCVEGCSA-N 0 0 200.241 2.185 10 0 BEAERN OCc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000021304047 183170244 /nfs/dbraw/zinc/17/02/44/183170244.db2.gz MKCVZJGVLCKGLS-UHFFFAOYSA-N 0 0 242.200 2.383 10 0 BEAERN OCc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000054723973 183170424 /nfs/dbraw/zinc/17/04/24/183170424.db2.gz GPZLZLBNPJDWDG-UHFFFAOYSA-N 0 0 222.675 2.077 10 0 BEAERN OCc1nc2ccc(Br)cc2o1 ZINC000035323057 183170505 /nfs/dbraw/zinc/17/05/05/183170505.db2.gz VLOCHTRDDAURDT-UHFFFAOYSA-N 0 0 228.045 2.083 10 0 BEAERN OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000036757631 183170581 /nfs/dbraw/zinc/17/05/81/183170581.db2.gz NBXQCZNJLJIPER-UHFFFAOYSA-N 0 0 209.632 2.487 10 0 BEAERN OCc1nc(Cl)sc1-c1ccncc1 ZINC000261507288 183170742 /nfs/dbraw/zinc/17/07/42/183170742.db2.gz HECQPEVZJUWELX-UHFFFAOYSA-N 0 0 226.688 2.351 10 0 BEAERN OCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000003913705 183170935 /nfs/dbraw/zinc/17/09/35/183170935.db2.gz JQYNINUMSIOMCX-UHFFFAOYSA-N 0 0 239.278 2.155 10 0 BEAERN OCc1csc(Cc2ccc(F)cc2)n1 ZINC000057904320 183171017 /nfs/dbraw/zinc/17/10/17/183171017.db2.gz VTXDZKBABQMCAW-UHFFFAOYSA-N 0 0 223.272 2.365 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1 ZINC000037689949 183196106 /nfs/dbraw/zinc/19/61/06/183196106.db2.gz GHHMEAYJZGADKE-WDEREUQCSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1cc(F)cc(F)c1F ZINC000061095552 183196703 /nfs/dbraw/zinc/19/67/03/183196703.db2.gz ZNEAUVXMGUHAAP-PSASIEDQSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000077307789 183201212 /nfs/dbraw/zinc/20/12/12/183201212.db2.gz OYEMDWUAHYVOKT-MRVPVSSYSA-N 0 0 215.655 2.050 10 0 BEAERN O[C@@H](c1ccccn1)C(Cl)(Cl)Cl ZINC000033884257 183185602 /nfs/dbraw/zinc/18/56/02/183185602.db2.gz VQQUQMTWROHDAY-LURJTMIESA-N 0 0 226.490 2.485 10 0 BEAERN CCCN(C)C(=O)c1cc(C)ccc1N ZINC000053001008 169059904 /nfs/dbraw/zinc/05/99/04/169059904.db2.gz ZJYFTMCLLGBTFC-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN O[C@@H](c1cccnc1)c1c(F)cccc1F ZINC000064555236 183187255 /nfs/dbraw/zinc/18/72/55/183187255.db2.gz MRFPRLOKUONAII-LBPRGKRZSA-N 0 0 221.206 2.442 10 0 BEAERN CCCN(C)C(=O)c1ccc2c(c1)CCN2 ZINC000037098488 169061367 /nfs/dbraw/zinc/06/13/67/169061367.db2.gz XIIINTJAKAWFFA-UHFFFAOYSA-N 0 0 218.300 2.137 10 0 BEAERN CCCN(C)C(=O)c1nc(NC)ccc1Cl ZINC000050748580 169063220 /nfs/dbraw/zinc/06/32/20/169063220.db2.gz PBQOYDZYHOFTKR-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN O[C@@H]1CCCC[C@H]1Nc1cnc2c(n1)CCCC2 ZINC000311188761 183192661 /nfs/dbraw/zinc/19/26/61/183192661.db2.gz CSZULZMKOOVJBU-CHWSQXEVSA-N 0 0 247.342 2.071 10 0 BEAERN O[C@@]1(c2cccc(OC(F)(F)F)c2)CCOC1 ZINC000104062202 183217978 /nfs/dbraw/zinc/21/79/78/183217978.db2.gz BZLUCSMEAYXUIQ-JTQLQIEISA-N 0 0 248.200 2.193 10 0 BEAERN O[C@H](Cc1cccc(F)c1F)c1cnccn1 ZINC000053784954 183227123 /nfs/dbraw/zinc/22/71/23/183227123.db2.gz WQSWOJNAHQHMGP-LLVKDONJSA-N 0 0 236.221 2.031 10 0 BEAERN O[C@@H](c1ccc2ncccc2c1)c1cncnc1 ZINC000062801864 183230425 /nfs/dbraw/zinc/23/04/25/183230425.db2.gz HJCCHXFDSQWCGK-AWEZNQCLSA-N 0 0 237.262 2.107 10 0 BEAERN CCCN(C)c1nc2c(c(Cl)n1)CCC2 ZINC000057345612 169090752 /nfs/dbraw/zinc/09/07/52/169090752.db2.gz NKQFSMDEQPRDNU-UHFFFAOYSA-N 0 0 225.723 2.465 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ccncc1Cl ZINC000086831353 183237991 /nfs/dbraw/zinc/23/79/91/183237991.db2.gz CBNIWJWTEPHWGK-KWQFWETISA-N 0 0 226.707 2.308 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ccnc(Cl)c1 ZINC000277021156 183238151 /nfs/dbraw/zinc/23/81/51/183238151.db2.gz CMUHPWVGKHZPAL-BDAKNGLRSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1cccc(F)c1F ZINC000040230640 183238631 /nfs/dbraw/zinc/23/86/31/183238631.db2.gz PXGUFSJDHAOITJ-SCZZXKLOSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1 ZINC000095078326 183241287 /nfs/dbraw/zinc/24/12/87/183241287.db2.gz MRMDGCNXLFLUKH-JQWIXIFHSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@H]1CCc2c1cccc2O[C@H]1CCCC[C@@H]1O ZINC000062800799 183242818 /nfs/dbraw/zinc/24/28/18/183242818.db2.gz ZCXPKROVEDZAMN-YDHLFZDLSA-N 0 0 248.322 2.349 10 0 BEAERN CCCN(CC)C(=O)c1cc(C)ccc1N ZINC000053000915 169117657 /nfs/dbraw/zinc/11/76/57/169117657.db2.gz UYLPMLXDGDDWDP-UHFFFAOYSA-N 0 0 220.316 2.449 10 0 BEAERN CCCN(CC)C(=O)c1c(C)cccc1N ZINC000037094283 169117771 /nfs/dbraw/zinc/11/77/71/169117771.db2.gz IUVZWHWLUIGONV-UHFFFAOYSA-N 0 0 220.316 2.449 10 0 BEAERN O[C@H]1COC[C@H]1Nc1ccc(Cl)cc1Cl ZINC000037875549 183246505 /nfs/dbraw/zinc/24/65/05/183246505.db2.gz UJOXEFGZDRAWRG-ZJUUUORDSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1COC[C@H]1Nc1cc(Cl)ccc1Cl ZINC000037874034 183246696 /nfs/dbraw/zinc/24/66/96/183246696.db2.gz IDESMBLWNFZUJP-ZJUUUORDSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1C[C@@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415213 183248566 /nfs/dbraw/zinc/24/85/66/183248566.db2.gz LTCOYNNCHWPNEU-ZANVPECISA-N 0 0 232.258 2.312 10 0 BEAERN O[C@H]1CCCC[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000112554872 183232339 /nfs/dbraw/zinc/23/23/39/183232339.db2.gz VHZWUVRBEDKISB-QWRGUYRKSA-N 0 0 233.315 2.069 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1ncc(Cl)cn1 ZINC000093538347 183232789 /nfs/dbraw/zinc/23/27/89/183232789.db2.gz YXGODRJCLWLOEY-WPRPVWTQSA-N 0 0 241.722 2.093 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1cccc(F)c1F ZINC000040230641 183236647 /nfs/dbraw/zinc/23/66/47/183236647.db2.gz PXGUFSJDHAOITJ-WPRPVWTQSA-N 0 0 213.227 2.290 10 0 BEAERN Oc1ccc2c(c1)OC[C@H]2NCc1cscn1 ZINC000104435131 183281639 /nfs/dbraw/zinc/28/16/39/183281639.db2.gz UODKHPAIKVPXDH-LLVKDONJSA-N 0 0 248.307 2.072 10 0 BEAERN Oc1ccc(F)cc1-c1ncccc1O ZINC000065339033 183275751 /nfs/dbraw/zinc/27/57/51/183275751.db2.gz JQYKRMHZFMZMTA-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN Oc1ccc(Oc2ncnc3c2CCC3)cc1 ZINC000061277820 183277436 /nfs/dbraw/zinc/27/74/36/183277436.db2.gz IIIVXEZCBWXPGQ-UHFFFAOYSA-N 0 0 228.251 2.463 10 0 BEAERN Oc1ccc2c(c1)OC[C@H]2NCc1cccnc1 ZINC000020141124 183281117 /nfs/dbraw/zinc/28/11/17/183281117.db2.gz BTVYKEWAMOVDKN-CYBMUJFWSA-N 0 0 242.278 2.011 10 0 BEAERN CCCN(CCC)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121852633 169143251 /nfs/dbraw/zinc/14/32/51/169143251.db2.gz ONISZZWWZCGMQN-MNOVXSKESA-N 0 0 213.321 2.203 10 0 BEAERN Oc1cccc(NCn2nnc3ccccc32)c1 ZINC000003072023 183292303 /nfs/dbraw/zinc/29/23/03/183292303.db2.gz KHVZXMJTXSNNJO-UHFFFAOYSA-N 0 0 240.266 2.207 10 0 BEAERN Oc1cccc(Cn2cnc3ncccc32)c1 ZINC000253578523 183292943 /nfs/dbraw/zinc/29/29/43/183292943.db2.gz YLYPSXMOEVMDML-UHFFFAOYSA-N 0 0 225.251 2.185 10 0 BEAERN Oc1cccc2c1CCC[C@@H]2N1CCOCC1 ZINC000082299790 183294797 /nfs/dbraw/zinc/29/47/97/183294797.db2.gz RMEKLEBQALGKBX-ZDUSSCGKSA-N 0 0 233.311 2.102 10 0 BEAERN CCCN(CCO)c1cccc(F)c1[C@H](C)O ZINC000042453035 169168246 /nfs/dbraw/zinc/16/82/46/169168246.db2.gz FXBBNXJQCVTBIO-JTQLQIEISA-N 0 0 241.306 2.088 10 0 BEAERN S=c1[nH]nc(CC2CC2)n1C[C@@H]1CCCO1 ZINC000073739442 183314996 /nfs/dbraw/zinc/31/49/96/183314996.db2.gz BLIXJBJLLKPAEL-VIFPVBQESA-N 0 0 239.344 2.072 10 0 BEAERN [O-][n+]1cc(Cl)c(Cl)c(Br)c1 ZINC000299888986 183318529 /nfs/dbraw/zinc/31/85/29/183318529.db2.gz BNYNWGTXKRPFBC-UHFFFAOYSA-N 0 0 242.887 2.389 10 0 BEAERN O=c1[nH]c(C(F)(F)F)nc2cc(F)ccc21 ZINC000299888894 183308277 /nfs/dbraw/zinc/30/82/77/183308277.db2.gz AEMBALJFOFFSIU-UHFFFAOYSA-N 0 0 232.136 2.493 10 0 BEAERN O=c1ncc(Oc2ccc(F)cc2)c[nH]1 ZINC000025982506 183308812 /nfs/dbraw/zinc/30/88/12/183308812.db2.gz WNCFGOFWIZVPPD-UHFFFAOYSA-N 0 0 206.176 2.114 10 0 BEAERN O=C1N=NC(c2nc3cc(Cl)ccc3o2)O1 ZINC000028249319 183309367 /nfs/dbraw/zinc/30/93/67/183309367.db2.gz NXIPAFMSTLUXKR-UHFFFAOYSA-N 0 0 237.602 2.237 10 0 BEAERN O=c1[nH]ncc2cn(-c3cccc(Cl)c3)nc21 ZINC000020272339 183310569 /nfs/dbraw/zinc/31/05/69/183310569.db2.gz OMGOJMOYRFOIMY-UHFFFAOYSA-N 0 0 246.657 2.175 10 0 BEAERN CCCN1CCO[C@H](c2cccc3n[nH]cc32)C1 ZINC000089196294 169205885 /nfs/dbraw/zinc/20/58/85/169205885.db2.gz BNGQBVLWWLBHNB-AWEZNQCLSA-N 0 0 245.326 2.346 10 0 BEAERN CCC[N@@H+]1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592204 169210274 /nfs/dbraw/zinc/21/02/74/169210274.db2.gz YGPLUMOKNPDQIP-JTQLQIEISA-N 0 0 225.313 2.142 10 0 BEAERN c1cc2c(c(OC[C@@H]3CCOCO3)c1)NCCC2 ZINC000038056285 183365428 /nfs/dbraw/zinc/36/54/28/183365428.db2.gz SBAIBLRZMCJQKK-LBPRGKRZSA-N 0 0 249.310 2.187 10 0 BEAERN CCCNC(=O)N(CCC)C[C@H]1CCCCO1 ZINC000106511613 169234469 /nfs/dbraw/zinc/23/44/69/169234469.db2.gz TUDQRJVMKPKGOX-GFCCVEGCSA-N 0 0 242.363 2.387 10 0 BEAERN CCCNC(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000036744390 169235828 /nfs/dbraw/zinc/23/58/28/169235828.db2.gz VJIRCRQJFSDDBN-VIFPVBQESA-N 0 0 233.315 2.139 10 0 BEAERN CCCNC(=O)N[C@@H](CC)c1nccs1 ZINC000121960447 169238152 /nfs/dbraw/zinc/23/81/52/169238152.db2.gz ZNKKVZLXLJFWBB-QMMMGPOBSA-N 0 0 227.333 2.303 10 0 BEAERN CCCNC(=O)Nc1c(C)cccc1N ZINC000036925560 169239269 /nfs/dbraw/zinc/23/92/69/169239269.db2.gz JLIQILBQWJDJLI-UHFFFAOYSA-N 0 0 207.277 2.109 10 0 BEAERN c1cc(-c2ccccc2)oc1C1=NCCN1 ZINC000035033786 183379285 /nfs/dbraw/zinc/37/92/85/183379285.db2.gz HNPLGLAMYJQFOS-UHFFFAOYSA-N 0 0 212.252 2.296 10 0 in-vivo BEAERN c1c2cc3c(cc2nn1-c1ccccn1)OCO3 ZINC000091690725 183385850 /nfs/dbraw/zinc/38/58/50/183385850.db2.gz UAYSKYCYSVTGKR-UHFFFAOYSA-N 0 0 239.234 2.149 10 0 BEAERN CCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117566838 169249580 /nfs/dbraw/zinc/24/95/80/169249580.db2.gz JCERQWGPZCQABM-SKDRFNHKSA-N 0 0 219.284 2.077 10 0 BEAERN c1cc(-c2ncccn2)n(-c2ccccc2)n1 ZINC000072190519 183388167 /nfs/dbraw/zinc/38/81/67/183388167.db2.gz SGTORNCEQRJMOK-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN CCC[NH2+]Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000049850766 169268292 /nfs/dbraw/zinc/26/82/92/169268292.db2.gz NOFGMKBVTORWJF-SNVBAGLBSA-N 0 0 237.299 2.038 10 0 BEAERN c1ccc(CCNc2ccnc(C3CC3)n2)nc1 ZINC000110111506 183395360 /nfs/dbraw/zinc/39/53/60/183395360.db2.gz VQWDYHDGULVAGU-UHFFFAOYSA-N 0 0 240.310 2.404 10 0 BEAERN CCCOC(=O)c1c(N)c(F)c(F)cc1F ZINC000061119429 169300775 /nfs/dbraw/zinc/30/07/75/169300775.db2.gz FNJFNXOILNWOAI-UHFFFAOYSA-N 0 0 233.189 2.253 10 0 BEAERN CCCOC(=O)c1cc2c[nH]nc2cc1C ZINC000089196882 169300998 /nfs/dbraw/zinc/30/09/98/169300998.db2.gz SDUYFTKWJSDKNK-UHFFFAOYSA-N 0 0 218.256 2.438 10 0 BEAERN CCCOCC(=O)c1cc(OC)ccc1OC ZINC000055234549 169309030 /nfs/dbraw/zinc/30/90/30/169309030.db2.gz ZCEIXLMNROPOHV-UHFFFAOYSA-N 0 0 238.283 2.313 10 0 BEAERN CCCOCc1noc(CC(=O)C(C)(C)C)n1 ZINC000104062789 169310982 /nfs/dbraw/zinc/31/09/82/169310982.db2.gz NERVCAKRPIHAEV-UHFFFAOYSA-N 0 0 240.303 2.154 10 0 BEAERN CCCOc1c(OC)cccc1C(N)=S ZINC000005592434 169314221 /nfs/dbraw/zinc/31/42/21/169314221.db2.gz JFZFSYZOBAPIKA-UHFFFAOYSA-N 0 0 225.313 2.118 10 0 BEAERN CCCOc1cc(NC)nc(CCC)n1 ZINC000082483085 169315872 /nfs/dbraw/zinc/31/58/72/169315872.db2.gz YBEKBGVIZANAJI-UHFFFAOYSA-N 0 0 209.293 2.260 10 0 BEAERN CCCNc1cc(-c2ccncc2)[nH]n1 ZINC000062668117 169293370 /nfs/dbraw/zinc/29/33/70/169293370.db2.gz PWEHLXZFOKTYRA-UHFFFAOYSA-N 0 0 202.261 2.294 10 0 BEAERN CCCNc1cc(S(C)(=O)=O)ccc1F ZINC000037058246 169294257 /nfs/dbraw/zinc/29/42/57/169294257.db2.gz NKVXQRILWKLAAI-UHFFFAOYSA-N 0 0 231.292 2.051 10 0 BEAERN CCCNc1cccc(C(=O)NC(C)(C)C)n1 ZINC000051069123 169294630 /nfs/dbraw/zinc/29/46/30/169294630.db2.gz AGMMOEINOHFOIL-UHFFFAOYSA-N 0 0 235.331 2.432 10 0 BEAERN CCCNc1cccc(C(=O)N[C@H]2C[C@H]2C)n1 ZINC000052303674 169295167 /nfs/dbraw/zinc/29/51/67/169295167.db2.gz ZSASQBJSCDJPLL-KOLCDFICSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1ncnc(N2CCCCCC2)c1N ZINC000040707621 169296973 /nfs/dbraw/zinc/29/69/73/169296973.db2.gz XXWRKWGIUPZLOV-UHFFFAOYSA-N 0 0 249.362 2.261 10 0 BEAERN CCCNc1ncccc1CN1CCO[C@@H](C)C1 ZINC000052709897 169297131 /nfs/dbraw/zinc/29/71/31/169297131.db2.gz YAAIUPUSGUPOGF-LBPRGKRZSA-N 0 0 249.358 2.124 10 0 BEAERN CCCOc1ccc([C@@H](O)c2ncccn2)cc1 ZINC000055262981 169321371 /nfs/dbraw/zinc/32/13/71/169321371.db2.gz IYERCTPUEYUQSD-CYBMUJFWSA-N 0 0 244.294 2.347 10 0 BEAERN c1ccc2sc([C@H]3COCCO3)nc2c1 ZINC000045237836 183462214 /nfs/dbraw/zinc/46/22/14/183462214.db2.gz NMBQSSCCGVRHSZ-SECBINFHSA-N 0 0 221.281 2.384 10 0 BEAERN CCCOc1ncc(Br)cc1N ZINC000040713982 169328198 /nfs/dbraw/zinc/32/81/98/169328198.db2.gz RFEZOGQTWGDJTP-UHFFFAOYSA-N 0 0 231.093 2.215 10 0 BEAERN CCCOc1ncnc(NCCC(C)C)c1N ZINC000082488411 169328731 /nfs/dbraw/zinc/32/87/31/169328731.db2.gz DAEMTYXHBILDLT-UHFFFAOYSA-N 0 0 238.335 2.306 10 0 BEAERN CCCS(=O)(=O)Cc1cc(N)ccc1Cl ZINC000035320462 169329818 /nfs/dbraw/zinc/32/98/18/169329818.db2.gz FXVJGUOOKZTLFZ-UHFFFAOYSA-N 0 0 247.747 2.247 10 0 BEAERN CCCS(=O)(=O)Nc1ccc(N)c(Cl)c1 ZINC000036288487 169334050 /nfs/dbraw/zinc/33/40/50/169334050.db2.gz CUHXQNNGTINKRM-UHFFFAOYSA-N 0 0 248.735 2.074 10 0 BEAERN CCCS(=O)(=O)c1nc2ccccc2s1 ZINC000211755563 169334907 /nfs/dbraw/zinc/33/49/07/169334907.db2.gz SKEKNPWXIGZUEH-UHFFFAOYSA-N 0 0 241.337 2.480 10 0 BEAERN CCCS(=O)(=O)c1ccc(N)cc1Cl ZINC000019426856 169335178 /nfs/dbraw/zinc/33/51/78/169335178.db2.gz XUIBRBZIWKTCRQ-UHFFFAOYSA-N 0 0 233.720 2.106 10 0 BEAERN c1ccc2c(c1)NCC[C@H]2[C@H]1COCCO1 ZINC000019509060 183451332 /nfs/dbraw/zinc/45/13/32/183451332.db2.gz YVKBZHZOLHETEE-DGCLKSJQSA-N 0 0 219.284 2.001 10 0 BEAERN CCC[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000001695194 169366356 /nfs/dbraw/zinc/36/63/56/169366356.db2.gz MEVAQQNEPXNEFX-SECBINFHSA-N 0 0 217.268 2.471 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cc(N)ccc1F ZINC000035651375 169368195 /nfs/dbraw/zinc/36/81/95/169368195.db2.gz NLASBJDWFMGZPK-MRVPVSSYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC[C@@H](C)CN[C@H](C(=O)OC)C(C)C ZINC000035346219 169361139 /nfs/dbraw/zinc/36/11/39/169361139.db2.gz UZWJGDUPJSTRLD-MNOVXSKESA-N 0 0 215.337 2.210 10 0 BEAERN CCC[C@@H](C)Nc1cc2nc[nH]c(=O)c2cc1N ZINC000035081881 169371658 /nfs/dbraw/zinc/37/16/58/169371658.db2.gz WFYRUHYXFKZNMU-MRVPVSSYSA-N 0 0 246.314 2.106 10 0 BEAERN CCC[C@@H](C)Nc1ccc(C(N)=O)cc1 ZINC000019911749 169371815 /nfs/dbraw/zinc/37/18/15/169371815.db2.gz OCEPBGLCPRYIGY-SECBINFHSA-N 0 0 206.289 2.386 10 0 BEAERN CCC[C@@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020095069 169372161 /nfs/dbraw/zinc/37/21/61/169372161.db2.gz HSECEWHPVGNCEA-MRVPVSSYSA-N 0 0 219.288 2.457 10 0 BEAERN CCC[C@@H](C)Nc1ccc2c(c1)C(=O)NC2=O ZINC000019966518 169372726 /nfs/dbraw/zinc/37/27/26/169372726.db2.gz FHTOONPQQYAGHV-MRVPVSSYSA-N 0 0 232.283 2.171 10 0 BEAERN Cc1cnc([C@H](C)NCc2cccnc2)o1 ZINC000220879532 134316442 /nfs/dbraw/zinc/31/64/42/134316442.db2.gz MDEMSMSZKJNSMX-JTQLQIEISA-N 0 0 217.272 2.229 10 0 BEAERN CCSc1nc2sccc2c(N)n1 ZINC000022133151 170657259 /nfs/dbraw/zinc/65/72/59/170657259.db2.gz QJQUMHDZZLOBLC-UHFFFAOYSA-N 0 0 211.315 2.386 10 0 BEAERN Nc1nnc([C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000129485508 259598462 /nfs/dbraw/zinc/59/84/62/259598462.db2.gz SOPMGZYDIAZLBQ-RITPCOANSA-N 0 0 235.209 2.488 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000180101211 134326130 /nfs/dbraw/zinc/32/61/30/134326130.db2.gz ZEEFNGJSIDCBID-WUHRBBMRSA-N 0 0 241.375 2.336 10 0 BEAERN CCC[C@@](C)([NH2+]Cc1ncccc1C)C(=O)[O-] ZINC000114809462 169454596 /nfs/dbraw/zinc/45/45/96/169454596.db2.gz ADMRIRQVCNBMMA-CYBMUJFWSA-N 0 0 236.315 2.123 10 0 BEAERN CCC[C@]1(C)Nc2ccccc2C(=O)N1 ZINC000062716758 169461321 /nfs/dbraw/zinc/46/13/21/169461321.db2.gz BGMXSMAJEIIENP-GFCCVEGCSA-N 0 0 204.273 2.358 10 0 BEAERN CCC[C@H](C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116123582 169470349 /nfs/dbraw/zinc/47/03/49/169470349.db2.gz NCCZZRUGSNQXKC-NWDGAFQWSA-N 0 0 249.358 2.172 10 0 BEAERN CCC[C@H](C)NC(=O)[C@@H]1CNc2ccccc2O1 ZINC000019424448 169492727 /nfs/dbraw/zinc/49/27/27/169492727.db2.gz DGEHTLYWYLCFAR-GWCFXTLKSA-N 0 0 248.326 2.164 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ncccc1C(=O)NC ZINC000301462176 169534801 /nfs/dbraw/zinc/53/48/01/169534801.db2.gz VAIGLAZHVXYOOB-ONGXEEELSA-N 0 0 233.315 2.042 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cnn(C)c(=O)c1Cl ZINC000231662266 169535093 /nfs/dbraw/zinc/53/50/93/169535093.db2.gz APNFHTJGTJNRTB-YUMQZZPRSA-N 0 0 241.722 2.034 10 0 BEAERN CCC[C@](C)([NH2+]Cc1ncccc1C)C(=O)[O-] ZINC000114809460 169549493 /nfs/dbraw/zinc/54/94/93/169549493.db2.gz ADMRIRQVCNBMMA-ZDUSSCGKSA-N 0 0 236.315 2.123 10 0 BEAERN CCC[C@](C)(Nc1ccccc1OC)C(N)=O ZINC000037944875 169550045 /nfs/dbraw/zinc/55/00/45/169550045.db2.gz NXMSZHIDKJIWMJ-ZDUSSCGKSA-N 0 0 236.315 2.151 10 0 BEAERN CCC[S@](=O)Cc1cccc(N)c1C ZINC000040967620 169559881 /nfs/dbraw/zinc/55/98/81/169559881.db2.gz QUNKQNGKNKASTP-CQSZACIVSA-N 0 0 211.330 2.236 10 0 BEAERN CCCc1cc(NC(=O)CC(F)(F)F)n[nH]1 ZINC000110847188 169565799 /nfs/dbraw/zinc/56/57/99/169565799.db2.gz JQSJKQYWACJZJC-UHFFFAOYSA-N 0 0 235.209 2.253 10 0 BEAERN CCCc1cc(NC(=O)CC(C)C)n[nH]1 ZINC000109911086 169566085 /nfs/dbraw/zinc/56/60/85/169566085.db2.gz TUZVLFUELPAJLM-UHFFFAOYSA-N 0 0 209.293 2.347 10 0 BEAERN CCCc1ccccc1NC(=O)c1c[nH]nc1N ZINC000049561731 169578701 /nfs/dbraw/zinc/57/87/01/169578701.db2.gz KBMUTSWBTJXMBQ-UHFFFAOYSA-N 0 0 244.298 2.197 10 0 BEAERN CCCc1nnc(NC[C@H]2CCCO2)s1 ZINC000301662868 169598382 /nfs/dbraw/zinc/59/83/82/169598382.db2.gz KMKQBPQOOIJRAV-MRVPVSSYSA-N 0 0 227.333 2.082 10 0 BEAERN CCCc1nnc(NC[C@@H](C)C[C@@H](C)O)s1 ZINC000301666089 169598133 /nfs/dbraw/zinc/59/81/33/169598133.db2.gz MBZHKUFBBDFVSH-DTWKUNHWSA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1noc(COc2cccc(O)c2)n1 ZINC000049339104 169603429 /nfs/dbraw/zinc/60/34/29/169603429.db2.gz LFAYYTDCWGUMEC-UHFFFAOYSA-N 0 0 234.255 2.307 10 0 BEAERN CCCc1noc(Cc2ccc(O)cc2)n1 ZINC000082644462 169604861 /nfs/dbraw/zinc/60/48/61/169604861.db2.gz KIYDQFFJRGKACC-UHFFFAOYSA-N 0 0 218.256 2.319 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccsc1 ZINC000225650140 134356474 /nfs/dbraw/zinc/35/64/74/134356474.db2.gz MIBKEUIOIAZUCA-MWLCHTKSSA-N 0 0 239.340 2.029 10 0 BEAERN CCCn1cc(NCc2ccccn2)ccc1=O ZINC000037774543 169620976 /nfs/dbraw/zinc/62/09/76/169620976.db2.gz HYNHKETZSVEBLS-UHFFFAOYSA-N 0 0 243.310 2.265 10 0 BEAERN CCN(C(=O)[C@@H]1CCCO1)[C@@H](C)c1cccnc1 ZINC000115230218 169649572 /nfs/dbraw/zinc/64/95/72/169649572.db2.gz VOXJSJBVOFANPV-AAEUAGOBSA-N 0 0 248.326 2.170 10 0 BEAERN CCN(C(=O)c1c(C)cccc1N)C(C)C ZINC000037081484 169655264 /nfs/dbraw/zinc/65/52/64/169655264.db2.gz QCLWOVIFAQJGRG-UHFFFAOYSA-N 0 0 220.316 2.448 10 0 BEAERN CCN(C(=O)c1ccc(F)cc1)[C@H](C)COC ZINC000037983955 169657952 /nfs/dbraw/zinc/65/79/52/169657952.db2.gz QFBKFYKCLBOYTH-SNVBAGLBSA-N 0 0 239.290 2.323 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccncc1Br ZINC000306525781 383842140 /nfs/dbraw/zinc/84/21/40/383842140.db2.gz RIRZVTHMASDRTG-NKWVEPMBSA-N 0 0 245.120 2.025 10 0 BEAERN Cc1ccncc1N[C@@H]1CCO[C@H](C)C1 ZINC000069891313 383852690 /nfs/dbraw/zinc/85/26/90/383852690.db2.gz HPJVWBYQYATATQ-GHMZBOCLSA-N 0 0 206.289 2.369 10 0 BEAERN O=c1[nH]c2ncccc2cc1C(F)(F)F ZINC000066339843 383857122 /nfs/dbraw/zinc/85/71/22/383857122.db2.gz OYKNOXHXBMKDKF-UHFFFAOYSA-N 0 0 214.146 2.354 10 0 BEAERN c1nc(CNc2ccc3nccnc3n2)cs1 ZINC000111144362 383835108 /nfs/dbraw/zinc/83/51/08/383835108.db2.gz RRIQHACEHUVFLM-UHFFFAOYSA-N 0 0 243.295 2.093 10 0 BEAERN Nc1nc(-c2ncc(Cl)cc2Cl)ns1 ZINC000067173753 383915607 /nfs/dbraw/zinc/91/56/07/383915607.db2.gz LMSXDQOODTZTRC-UHFFFAOYSA-N 0 0 247.110 2.489 10 0 BEAERN CCC[N@@H+](CC(=O)[O-])C[C@H]1Cc2ccccc21 ZINC000090978079 383923140 /nfs/dbraw/zinc/92/31/40/383923140.db2.gz KNMAOFLPMIFBDT-GFCCVEGCSA-N 0 0 233.311 2.123 10 0 BEAERN O=C(/C=C1\CCc2ccccc21)NC1CC1 ZINC000027328813 383923870 /nfs/dbraw/zinc/92/38/70/383923870.db2.gz BBZBPDYEQNZIEH-PKNBQFBNSA-N 0 0 213.280 2.295 10 0 BEAERN COC(=O)N1CCC(Nc2cccc(C)n2)CC1 ZINC000116815404 383928257 /nfs/dbraw/zinc/92/82/57/383928257.db2.gz MXPQAYFZDQPPRZ-UHFFFAOYSA-N 0 0 249.314 2.033 10 0 BEAERN O[C@]12CCCC[C@H]1CN(c1ccccn1)CC2 ZINC000220368049 383933345 /nfs/dbraw/zinc/93/33/45/383933345.db2.gz GEZYFZZSJHDVBT-JSGCOSHPSA-N 0 0 232.327 2.213 10 0 BEAERN CCOc1cccc(C[NH2+]Cc2cncnc2)c1 ZINC000054767897 383978246 /nfs/dbraw/zinc/97/82/46/383978246.db2.gz AWIPQALGZSMNNL-UHFFFAOYSA-N 0 0 243.310 2.165 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCSC(C)(C)CC1 ZINC000335846831 384001894 /nfs/dbraw/zinc/00/18/94/384001894.db2.gz HPZHGYCVHZWWER-ZJUUUORDSA-N 0 0 242.388 2.322 10 0 BEAERN Cn1cc([C@@H]2CCNc3ccccc32)cn1 ZINC000068592008 384002348 /nfs/dbraw/zinc/00/23/48/384002348.db2.gz RVOVQFCLTLINBR-NSHDSACASA-N 0 0 213.284 2.368 10 0 BEAERN COc1c(CNc2ccc(F)cc2)c(C)nn1C ZINC000089784674 383997802 /nfs/dbraw/zinc/99/78/02/383997802.db2.gz DDNQTGNETMNOKZ-UHFFFAOYSA-N 0 0 249.289 2.488 10 0 BEAERN CC/C(=C\c1cnc2ccccn12)[N+](=O)[O-] ZINC000089201074 383944159 /nfs/dbraw/zinc/94/41/59/383944159.db2.gz RRGQUDMHXJAMDM-VQHVLOKHSA-N 0 0 217.228 2.362 10 0 BEAERN COC(=O)c1cnc2cccc(C(F)(F)F)n12 ZINC000089201794 383944874 /nfs/dbraw/zinc/94/48/74/383944874.db2.gz NPZANMJKWYIJQL-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN CCC[C@H](C)Nc1ncnc2c(C)[nH]nc21 ZINC000089211989 383946465 /nfs/dbraw/zinc/94/64/65/383946465.db2.gz DFVMVCXIPAUYBE-ZETCQYMHSA-N 0 0 219.292 2.262 10 0 BEAERN Cc1nc2c(Br)[nH]nc2c(Cl)n1 ZINC000089211905 383946978 /nfs/dbraw/zinc/94/69/78/383946978.db2.gz OSZPWLPXANUKEE-UHFFFAOYSA-N 0 0 247.483 2.077 10 0 BEAERN Cc1[nH]nc2ccnc(NCC(C)C)c21 ZINC000089220148 383949141 /nfs/dbraw/zinc/94/91/41/383949141.db2.gz NLDAIFRXCXQTMF-UHFFFAOYSA-N 0 0 204.277 2.334 10 0 BEAERN Cc1[nH]nc2ccnc(OCC(C)C)c21 ZINC000089220175 383949417 /nfs/dbraw/zinc/94/94/17/383949417.db2.gz JXWAMWZRXNBXPW-UHFFFAOYSA-N 0 0 205.261 2.301 10 0 BEAERN CSc1nc2n[nH]c(C)c2c(Cl)n1 ZINC000089222654 383949546 /nfs/dbraw/zinc/94/95/46/383949546.db2.gz QWQOORFSBIQZND-UHFFFAOYSA-N 0 0 214.681 2.037 10 0 BEAERN CS[C@@]1(Cl)C(=O)Nc2ncc(Cl)cc21 ZINC000089222161 383949593 /nfs/dbraw/zinc/94/95/93/383949593.db2.gz YOGQQSFXFCXFSE-MRVPVSSYSA-N 0 0 249.122 2.442 10 0 BEAERN Fc1c2cc[nH]c2cnc1Br ZINC000089212944 383950258 /nfs/dbraw/zinc/95/02/58/383950258.db2.gz TWSNTQZJFNEWJU-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN O=C(Nc1cc2[nH]ccc2cn1)c1ccccc1 ZINC000089220858 383950261 /nfs/dbraw/zinc/95/02/61/383950261.db2.gz CTUYNWBMAJIJHS-UHFFFAOYSA-N 0 0 237.262 2.237 10 0 BEAERN O=C(C1=CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000335848739 384005521 /nfs/dbraw/zinc/00/55/21/384005521.db2.gz QGFOPKAVDGOTQF-HIFRSBDPSA-N 0 0 249.354 2.250 10 0 BEAERN CCOc1ccc(OCC)c(C#N)c1F ZINC000575650024 384014639 /nfs/dbraw/zinc/01/46/39/384014639.db2.gz KOUBBSQUUQYEKO-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCOc1cc(C(C)=O)c(C#N)cc1C ZINC000575650817 384049823 /nfs/dbraw/zinc/04/98/23/384049823.db2.gz XZIUFIYETIFVHX-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CC(C)(C)c1ccc2c(cn[nH]c2=O)c1 ZINC000114436120 384035603 /nfs/dbraw/zinc/03/56/03/384035603.db2.gz ZPZRICGIJPWFOH-UHFFFAOYSA-N 0 0 202.257 2.221 10 0 BEAERN N#Cc1cc(C=O)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575650857 384053767 /nfs/dbraw/zinc/05/37/67/384053767.db2.gz TXNULRKLAMYEPK-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCN(C(=O)c1cn[nH]c1)[C@H](C)c1cccnc1 ZINC000115472492 384085398 /nfs/dbraw/zinc/08/53/98/384085398.db2.gz ZAZOLNSGAZPMLS-SNVBAGLBSA-N 0 0 244.298 2.028 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000644907328 384087476 /nfs/dbraw/zinc/08/74/76/384087476.db2.gz JZIKZOSJTKKJBB-QWRGUYRKSA-N 0 0 241.375 2.478 10 0 BEAERN O=Cc1ccc2ncnc(N3CCCCC3)c2c1 ZINC000090669306 384068037 /nfs/dbraw/zinc/06/80/37/384068037.db2.gz CKKSNLZKPPCKQA-UHFFFAOYSA-N 0 0 241.294 2.433 10 0 BEAERN CCN(C(=O)[C@@H]1CCCO1)[C@H](C)c1cccnc1 ZINC000115230220 384072713 /nfs/dbraw/zinc/07/27/13/384072713.db2.gz VOXJSJBVOFANPV-YPMHNXCESA-N 0 0 248.326 2.170 10 0 BEAERN CCN(C(=O)c1cc[nH]n1)[C@@H](C)c1cccnc1 ZINC000115224012 384073048 /nfs/dbraw/zinc/07/30/48/384073048.db2.gz CAALNBUEMUHISS-JTQLQIEISA-N 0 0 244.298 2.028 10 0 BEAERN CCOc1cc(C#N)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575651181 384073883 /nfs/dbraw/zinc/07/38/83/384073883.db2.gz YSQOGXLOALJWCP-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN O=C([O-])C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC000038343340 384081564 /nfs/dbraw/zinc/08/15/64/384081564.db2.gz NQMZOUPXUUAMAM-YOGCLGLASA-N 0 0 223.316 2.114 10 0 BEAERN Cc1[nH]nc2c1[C@@H](O)C[C@H](c1ccccc1O)C2 ZINC000072415257 384099096 /nfs/dbraw/zinc/09/90/96/384099096.db2.gz SNRANHLTJDUOAN-RNCFNFMXSA-N 0 0 244.294 2.187 10 0 BEAERN CN(C)N=c1nc(-c2ccccc2)cc[nH]1 ZINC000072416661 384117968 /nfs/dbraw/zinc/11/79/68/384117968.db2.gz YFCVVIJFOFFAJP-UHFFFAOYSA-N 0 0 214.272 2.032 10 0 BEAERN Cc1ccc(C2=NN3CCN=C3C(C)=C2)cc1 ZINC000039110873 384105773 /nfs/dbraw/zinc/10/57/73/384105773.db2.gz CWDCQQNDDRFNLR-UHFFFAOYSA-N 0 0 225.295 2.373 10 0 BEAERN CC1=CC2=NCCN2N=C1c1ccccc1 ZINC000039109117 384106753 /nfs/dbraw/zinc/10/67/53/384106753.db2.gz DOJOLFKPEVJWFR-UHFFFAOYSA-N 0 0 211.268 2.065 10 0 BEAERN Cc1ncsc1-c1nc(Br)no1 ZINC000156581642 384112595 /nfs/dbraw/zinc/11/25/95/384112595.db2.gz LVNIOEUJOLFZET-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN CCC[C@H](C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116123576 384116695 /nfs/dbraw/zinc/11/66/95/384116695.db2.gz NCCZZRUGSNQXKC-RYUDHWBXSA-N 0 0 249.358 2.172 10 0 BEAERN Cc1cc(-c2ccc(F)cc2)nc(NC#N)n1 ZINC000072417291 384136173 /nfs/dbraw/zinc/13/61/73/384136173.db2.gz ACIQGFBHZFECMW-UHFFFAOYSA-N 0 0 228.230 2.484 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)nc1 ZINC000336559859 384137140 /nfs/dbraw/zinc/13/71/40/384137140.db2.gz VXKMXXOREHALJV-QWRGUYRKSA-N 0 0 231.299 2.406 10 0 BEAERN COC(=O)C1(CC2CC2)CCC(=O)CC1 ZINC000091351910 384120904 /nfs/dbraw/zinc/12/09/04/384120904.db2.gz DPMSBMTUFXHKDI-UHFFFAOYSA-N 0 0 210.273 2.089 10 0 BEAERN Cc1ccc(C)c(OCCC(N)=S)c1 ZINC000005592774 384121191 /nfs/dbraw/zinc/12/11/91/384121191.db2.gz RWKRRWQQYREFSC-UHFFFAOYSA-N 0 0 209.314 2.358 10 0 BEAERN Nc1cnnc(-c2ccc(Cl)cc2)c1 ZINC000091366486 384122858 /nfs/dbraw/zinc/12/28/58/384122858.db2.gz XRFPXYCBFFSBOQ-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Cc1noc(-c2ccc(N)c(Cl)c2)n1 ZINC000070622042 384124557 /nfs/dbraw/zinc/12/45/57/384124557.db2.gz HFKOIPBWEHJCQH-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN Clc1cc(N2CCCC2)c(Cl)nn1 ZINC000116944709 384159844 /nfs/dbraw/zinc/15/98/44/384159844.db2.gz LOTUUJWLCBIHGJ-UHFFFAOYSA-N 0 0 218.087 2.384 10 0 BEAERN Cc1cnn(CCNC(=O)CCC2CCCC2)c1 ZINC000117811116 384182183 /nfs/dbraw/zinc/18/21/83/384182183.db2.gz UUDSHJPTDFFIII-UHFFFAOYSA-N 0 0 249.358 2.278 10 0 BEAERN CCOC(=O)C(Cl)=NNc1ccc(F)cc1 ZINC000256091352 384203571 /nfs/dbraw/zinc/20/35/71/384203571.db2.gz VVERUMZUZIFIQN-UHFFFAOYSA-N 0 0 244.653 2.353 10 0 BEAERN CNc1cc(-c2ccc(OC)cc2)cnc1N ZINC000504729544 533045562 /nfs/dbraw/zinc/04/55/62/533045562.db2.gz PRWWNZHYITWHFH-UHFFFAOYSA-N 0 0 229.283 2.381 10 0 BEAERN O[C@H](c1occc1Br)C(F)F ZINC000156660609 384188323 /nfs/dbraw/zinc/18/83/23/384188323.db2.gz CAYYLUXIZYZENP-SCSAIBSYSA-N 0 0 227.004 2.341 10 0 BEAERN O=C(c1ccc(Cl)cn1)N1C[C@@H]2CCC[C@@H]21 ZINC000336590309 384189342 /nfs/dbraw/zinc/18/93/42/384189342.db2.gz JTNAFOZKBVMJHL-KWQFWETISA-N 0 0 236.702 2.360 10 0 BEAERN COCc1c[nH]c2ccc(C(=O)OC)cc12 ZINC000118198423 384193311 /nfs/dbraw/zinc/19/33/11/384193311.db2.gz WAYXZKMZVNUFGR-UHFFFAOYSA-N 0 0 219.240 2.101 10 0 BEAERN CCOCc1ccc(Br)nc1 ZINC000072194556 384200433 /nfs/dbraw/zinc/20/04/33/384200433.db2.gz ORZKLFQWFCTCFJ-UHFFFAOYSA-N 0 0 216.078 2.381 10 0 BEAERN C[C@@H](NC(=O)[C@@H](C)c1ccccc1)[C@@H]1CCCO1 ZINC000119326838 384262060 /nfs/dbraw/zinc/26/20/60/384262060.db2.gz UIKBYENWINJJOH-SCRDCRAPSA-N 0 0 247.338 2.474 10 0 BEAERN CCc1nsc(NC[C@H]2CCCC[C@H]2O)n1 ZINC000083669529 384320820 /nfs/dbraw/zinc/32/08/20/384320820.db2.gz QGQWDRFNTOTENB-RKDXNWHRSA-N 0 0 241.360 2.064 10 0 BEAERN CONC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000133897413 384320924 /nfs/dbraw/zinc/32/09/24/384320924.db2.gz GUXAZMFLGPYUGO-JOYOIKCWSA-N 0 0 234.299 2.486 10 0 BEAERN CC[C@@H](C)OCC(=O)N[C@@H]1COc2ccccc21 ZINC000119553201 384283092 /nfs/dbraw/zinc/28/30/92/384283092.db2.gz ZONWILDYDPSSPM-ZYHUDNBSSA-N 0 0 249.310 2.051 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)c(C)c1 ZINC000133441278 384294053 /nfs/dbraw/zinc/29/40/53/384294053.db2.gz ZJVKHLWTSXVHGK-NEPJUHHUSA-N 0 0 235.327 2.050 10 0 BEAERN O=C([O-])C1CCC2(CC[N@@H+](C3CC3)C2)CC1 ZINC000095077901 384356360 /nfs/dbraw/zinc/35/63/60/384356360.db2.gz FJQGLOFGDJIHPS-UHFFFAOYSA-N 0 0 223.316 2.116 10 0 BEAERN Cn1nccc1CCC(=O)NC1(C)CCCCC1 ZINC000120549149 384361852 /nfs/dbraw/zinc/36/18/52/384361852.db2.gz RICDHFQRKUPBTF-UHFFFAOYSA-N 0 0 249.358 2.192 10 0 BEAERN CC[C@@H]1CN(Cc2ccccc2)C(=O)CC1=O ZINC000095093408 384363609 /nfs/dbraw/zinc/36/36/09/384363609.db2.gz ADSHHHOEECKWOW-GFCCVEGCSA-N 0 0 231.295 2.014 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000134571996 384366868 /nfs/dbraw/zinc/36/68/68/384366868.db2.gz YVLRTDKMKMHTNM-RKDXNWHRSA-N 0 0 217.272 2.152 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ccc(Cl)cn1 ZINC000134570339 384367463 /nfs/dbraw/zinc/36/74/63/384367463.db2.gz OBKWBCGLPAASKB-VXNVDRBHSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncc(Cl)cc1F ZINC000134573086 384367950 /nfs/dbraw/zinc/36/79/50/384367950.db2.gz WPLHLCBIWLGKQT-IMTBSYHQSA-N 0 0 230.670 2.463 10 0 BEAERN Cc1nc(Cl)cc(N[C@H]2CCO[C@@H]2C)n1 ZINC000134584276 384372298 /nfs/dbraw/zinc/37/22/98/384372298.db2.gz YMNQHPRVYYZHJV-SVRRBLITSA-N 0 0 227.695 2.028 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000075513635 384326754 /nfs/dbraw/zinc/32/67/54/384326754.db2.gz WADQUWGGTKWCHG-SFYZADRCSA-N 0 0 247.323 2.276 10 0 BEAERN COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@H]1C ZINC000075512037 384328100 /nfs/dbraw/zinc/32/81/00/384328100.db2.gz WLFZGTLPLKKACB-XCBNKYQSSA-N 0 0 239.702 2.487 10 0 BEAERN CCC1(NC(=O)c2cc(C)[nH]c(=O)c2)CCC1 ZINC000134046754 384328828 /nfs/dbraw/zinc/32/88/28/384328828.db2.gz PULJONBSNWKRCQ-UHFFFAOYSA-N 0 0 234.299 2.158 10 0 BEAERN Cc1ccn2c(C(=O)C(F)(F)F)cnc2c1 ZINC000012616070 384329067 /nfs/dbraw/zinc/32/90/67/384329067.db2.gz GNYLDWWBOFRMLP-UHFFFAOYSA-N 0 0 228.173 2.388 10 0 BEAERN Fc1ccc(Cc2nc(Cl)no2)cc1 ZINC000095774196 384395094 /nfs/dbraw/zinc/39/50/94/384395094.db2.gz OYMGSSCFJMVHRO-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN COC(=O)c1ccc(-c2ccon2)cc1 ZINC000095830381 384399848 /nfs/dbraw/zinc/39/98/48/384399848.db2.gz KZOVPXBJPFKVFA-UHFFFAOYSA-N 0 0 203.197 2.128 10 0 BEAERN CC[C@H](NC(=O)N1CCCC1)c1nccs1 ZINC000121187412 384401126 /nfs/dbraw/zinc/40/11/26/384401126.db2.gz ITVKVELPGFMRBZ-VIFPVBQESA-N 0 0 239.344 2.400 10 0 BEAERN COc1c(F)c(C=O)ccc1OC(F)F ZINC000575659529 384405307 /nfs/dbraw/zinc/40/53/07/384405307.db2.gz FWHWRZHZQGCRQB-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN O=C1c2cccn2-c2c(Br)c[nH]c21 ZINC000045817559 384408509 /nfs/dbraw/zinc/40/85/09/384408509.db2.gz ABGPKSFYHBKPKH-UHFFFAOYSA-N 0 0 237.056 2.112 10 0 BEAERN Nc1nc(Cl)c(Cl)c(C(F)(F)F)n1 ZINC000095929600 384409598 /nfs/dbraw/zinc/40/95/98/384409598.db2.gz LVZJHCCHDPNTSB-UHFFFAOYSA-N 0 0 231.992 2.384 10 0 BEAERN CC(C)(C)OC(=O)NCc1ncc(Cl)cn1 ZINC000095930643 384410595 /nfs/dbraw/zinc/41/05/95/384410595.db2.gz BENCZHUTKWOPCH-UHFFFAOYSA-N 0 0 243.694 2.155 10 0 BEAERN CC(C)OC(=O)NCCOCC1CCCC1 ZINC000313473688 384411445 /nfs/dbraw/zinc/41/14/45/384411445.db2.gz OTSDCXHNWHZJOS-UHFFFAOYSA-N 0 0 229.320 2.328 10 0 BEAERN Cc1cc2[nH][nH]c(=O)c2c(Br)c1 ZINC000014983300 384411498 /nfs/dbraw/zinc/41/14/98/384411498.db2.gz ZELKMMTZKCAEGZ-UHFFFAOYSA-N 0 0 227.061 2.339 10 0 BEAERN CCc1ccccc1CNC(=O)N[C@H]1C[C@H]1C ZINC000077563025 384411830 /nfs/dbraw/zinc/41/18/30/384411830.db2.gz PVRXDLLZEKLNKN-MFKMUULPSA-N 0 0 232.327 2.457 10 0 BEAERN CCN1CC[C@@H](S(C)(=O)=O)c2ccccc21 ZINC000616673717 384412612 /nfs/dbraw/zinc/41/26/12/384412612.db2.gz ZDFXNALHJUBNSK-GFCCVEGCSA-N 0 0 239.340 2.002 10 0 BEAERN Cc1cc(CO)c(F)cc1OC(F)F ZINC000575662006 384418213 /nfs/dbraw/zinc/41/82/13/384418213.db2.gz ZCBUZHUOBFASNG-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COc1c(O)c(C)ccc1OC(F)F ZINC000575664600 384427313 /nfs/dbraw/zinc/42/73/13/384427313.db2.gz JGRLNQWTCBXMHB-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN FC(F)(F)c1conc1Br ZINC000095635371 384385618 /nfs/dbraw/zinc/38/56/18/384385618.db2.gz OYOSUPWUVOHYNZ-UHFFFAOYSA-N 0 0 215.956 2.456 10 0 BEAERN C[C@@H](CO)N(C)C(=O)c1cccc2ccccc21 ZINC000135455714 384445365 /nfs/dbraw/zinc/44/53/65/384445365.db2.gz GDWFSEVNDOZDEY-NSHDSACASA-N 0 0 243.306 2.293 10 0 BEAERN CSCCC(=O)Nc1ncc(C(C)=O)s1 ZINC000135448965 384446678 /nfs/dbraw/zinc/44/66/78/384446678.db2.gz KCYGQMXWALRQJY-UHFFFAOYSA-N 0 0 244.341 2.037 10 0 BEAERN CCC[C@H](C(=O)NCc1ccnn1C)C(C)C ZINC000135550224 384451243 /nfs/dbraw/zinc/45/12/43/384451243.db2.gz BPSRAYDMEFDVMI-LBPRGKRZSA-N 0 0 237.347 2.109 10 0 BEAERN CCC1(NC(=O)c2cccc(OC)c2O)CCC1 ZINC000135589263 384453037 /nfs/dbraw/zinc/45/30/37/384453037.db2.gz YSTAFCSAWULUEG-UHFFFAOYSA-N 0 0 249.310 2.463 10 0 BEAERN CCOC(=O)Cc1cc(C)c(O)cc1C ZINC000260797865 384453485 /nfs/dbraw/zinc/45/34/85/384453485.db2.gz ANGJNSIARVBKMD-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN CC1(C(=O)NCCc2cc(F)ccc2F)CC1 ZINC000121820580 384438883 /nfs/dbraw/zinc/43/88/83/384438883.db2.gz SUAKPQZSVRYNBG-UHFFFAOYSA-N 0 0 239.265 2.424 10 0 BEAERN C[C@H]1CN[C@H](c2cscn2)SC1 ZINC000126792518 384469746 /nfs/dbraw/zinc/46/97/46/384469746.db2.gz QMEMKJHWKDQQJB-XPUUQOCRSA-N 0 0 200.332 2.114 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cnc(Cl)cc1C ZINC000135994916 384475466 /nfs/dbraw/zinc/47/54/66/384475466.db2.gz RUVJBMWMBUSBLQ-MRVPVSSYSA-N 0 0 242.706 2.264 10 0 BEAERN c1ccc(NC[C@@H]2CC23CCOCC3)nc1 ZINC000336475885 384476892 /nfs/dbraw/zinc/47/68/92/384476892.db2.gz KZLWRFURURUNDW-NSHDSACASA-N 0 0 218.300 2.310 10 0 BEAERN CNc1nc(Cl)nc(NCc2ccccc2)n1 ZINC000000405314 384478153 /nfs/dbraw/zinc/47/81/53/384478153.db2.gz ZKKRVKURDBHDSA-UHFFFAOYSA-N 0 0 249.705 2.179 10 0 BEAERN COC(=O)[C@H]1CC[C@H](c2ccc(C)cc2)CN1 ZINC000079026372 384480377 /nfs/dbraw/zinc/48/03/77/384480377.db2.gz YRQYNUYPGNPAHW-QWHCGFSZSA-N 0 0 233.311 2.004 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCC2CCC(C)CC2)O1 ZINC000150792220 384506074 /nfs/dbraw/zinc/50/60/74/384506074.db2.gz ROCNQLJFXJUYOC-MVKMKZAISA-N 0 0 239.359 2.496 10 0 BEAERN Cc1n[nH]c(C)c1N[C@H]1CCCSC1 ZINC000061573130 384508192 /nfs/dbraw/zinc/50/81/92/384508192.db2.gz HLDOJVSBHUFTMO-VIFPVBQESA-N 0 0 211.334 2.334 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CC(C)(C)C1CC1 ZINC000334533628 384510027 /nfs/dbraw/zinc/51/00/27/384510027.db2.gz OREMHSXFWVFCSU-CMPLNLGQSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)C(C)(C)C(C)(F)F ZINC000334533835 384510633 /nfs/dbraw/zinc/51/06/33/384510633.db2.gz GNNPEXOSSGYBDC-IUCAKERBSA-N 0 0 249.301 2.040 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(Cc2cccc(F)c2F)C1 ZINC000334745742 384487564 /nfs/dbraw/zinc/48/75/64/384487564.db2.gz KGOYOAWIEUPPNS-MWLCHTKSSA-N 0 0 241.281 2.168 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncnc2c1CCCCC2 ZINC000149960465 384488734 /nfs/dbraw/zinc/48/87/34/384488734.db2.gz VTBGXJCJDWDVLV-PWSUYJOCSA-N 0 0 247.342 2.335 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000336100246 384492942 /nfs/dbraw/zinc/49/29/42/384492942.db2.gz QYCKCMBBXUCNTO-QWRGUYRKSA-N 0 0 242.363 2.240 10 0 BEAERN CCN(CC)c1ccc(N2CC[C@@H](CO)C2)cc1 ZINC000011736402 384535931 /nfs/dbraw/zinc/53/59/31/384535931.db2.gz MGZPLHNDNDDMAP-CYBMUJFWSA-N 0 0 248.370 2.351 10 0 BEAERN CC(=O)NC1CCC(Nc2cnccc2C)CC1 ZINC000161693430 384517648 /nfs/dbraw/zinc/51/76/48/384517648.db2.gz WUGBTIVLMHLOAS-UHFFFAOYSA-N 0 0 247.342 2.249 10 0 BEAERN CCOC(=O)Cc1c(O)ccc(C)c1C ZINC000261008300 384546223 /nfs/dbraw/zinc/54/62/23/384546223.db2.gz XRKFIFUZTBXLST-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@H]1CC[C@H](C)O1 ZINC000151209523 384547900 /nfs/dbraw/zinc/54/79/00/384547900.db2.gz ROQQVXSMCMTYCY-DTWKUNHWSA-N 0 0 235.274 2.058 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)Nc1ccsc1 ZINC000137835524 384550270 /nfs/dbraw/zinc/55/02/70/384550270.db2.gz COGFKPMCVIIOHY-VXNVDRBHSA-N 0 0 226.301 2.047 10 0 BEAERN CCOC(=O)Cc1cc(OC)c(O)cc1Cl ZINC000258234244 384550777 /nfs/dbraw/zinc/55/07/77/384550777.db2.gz LGCIXAMIYINFON-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CS[C@@H](C)C(=O)N1CCCC1(C)C ZINC000102918646 384586495 /nfs/dbraw/zinc/58/64/95/384586495.db2.gz GCUYFUQDHFELDX-QMMMGPOBSA-N 0 0 201.335 2.139 10 0 BEAERN CO[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103054003 384588911 /nfs/dbraw/zinc/58/89/11/384588911.db2.gz VVSPVNWOCTZWEY-UTUOFQBUSA-N 0 0 227.348 2.352 10 0 BEAERN CC1(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000151322120 384563948 /nfs/dbraw/zinc/56/39/48/384563948.db2.gz WKZFDVFAFRDSOQ-JTQLQIEISA-N 0 0 217.268 2.036 10 0 BEAERN O=C(CCC[N@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000049773420 384565302 /nfs/dbraw/zinc/56/53/02/384565302.db2.gz LTOFTYZTPKPFAV-CQSZACIVSA-N 0 0 247.338 2.106 10 0 BEAERN CCOC(=O)C(=O)c1cccc(C)c1Cl ZINC000258356629 384567630 /nfs/dbraw/zinc/56/76/30/384567630.db2.gz GCDFXPVYSMVIQN-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN CC/C=C/CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000184416465 384602849 /nfs/dbraw/zinc/60/28/49/384602849.db2.gz HHQZJVATYDBVKO-BLDJZWNYSA-N 0 0 233.311 2.294 10 0 BEAERN COC[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000103365370 384608920 /nfs/dbraw/zinc/60/89/20/384608920.db2.gz YOFVOXBYUHEPPR-HBNTYKKESA-N 0 0 213.321 2.058 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000103357265 384609068 /nfs/dbraw/zinc/60/90/68/384609068.db2.gz OSNJWUCDNIOTNP-JTQLQIEISA-N 0 0 237.299 2.225 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000103356960 384609779 /nfs/dbraw/zinc/60/97/79/384609779.db2.gz BLUCMENPKVVOQP-LURJTMIESA-N 0 0 247.216 2.325 10 0 BEAERN O=c1[nH]c2ncccc2c2sccc21 ZINC000139307158 384610115 /nfs/dbraw/zinc/61/01/15/384610115.db2.gz IJYXPNAXRVDKHS-UHFFFAOYSA-N 0 0 202.238 2.138 10 0 BEAERN O=C1Nc2ccccc2[C@@H]1Cc1ccncc1 ZINC000139363505 384613180 /nfs/dbraw/zinc/61/31/80/384613180.db2.gz WZAHPBIKCLXYOE-LBPRGKRZSA-N 0 0 224.263 2.360 10 0 BEAERN Cc1ccc(CC[NH+]2CCN(C3CC3)CC2)cc1 ZINC000124110699 384614969 /nfs/dbraw/zinc/61/49/69/384614969.db2.gz CQQOYJLCJJBXNT-UHFFFAOYSA-N 0 0 244.382 2.318 10 0 BEAERN C[N@@H+]1C=C[C@H](C(=O)[O-])C=C1Cc1ccccc1 ZINC000100168035 384621222 /nfs/dbraw/zinc/62/12/22/384621222.db2.gz GNGLPEVQDXXSTN-LBPRGKRZSA-N 0 0 229.279 2.273 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1cc(Cl)ncn1 ZINC000050376732 384622080 /nfs/dbraw/zinc/62/20/80/384622080.db2.gz KDYNANQYWUDQMS-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN N[C@H]1c2cc(F)ccc2N(C2CCCC2)C1=O ZINC000100236584 384626392 /nfs/dbraw/zinc/62/63/92/384626392.db2.gz JURVBVFQBLFRLX-LBPRGKRZSA-N 0 0 234.274 2.115 10 0 BEAERN CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]2C)C1 ZINC000103516609 384628355 /nfs/dbraw/zinc/62/83/55/384628355.db2.gz XZXVTAPOWWVKKC-AXFHLTTASA-N 0 0 210.321 2.226 10 0 BEAERN COC(=O)c1ccoc1-c1ccccn1 ZINC000098178949 384599016 /nfs/dbraw/zinc/59/90/16/384599016.db2.gz UGXWXIDQIZSCIL-UHFFFAOYSA-N 0 0 203.197 2.128 10 0 BEAERN CCOC[C@H](C)Nc1ncnc2ccccc21 ZINC000044726054 384663007 /nfs/dbraw/zinc/66/30/07/384663007.db2.gz ZIGUVMJYPCMZCU-JTQLQIEISA-N 0 0 231.299 2.467 10 0 BEAERN COc1cc(OC)cc(-c2noc(Cl)n2)c1 ZINC000037926889 384666287 /nfs/dbraw/zinc/66/62/87/384666287.db2.gz RVOCAEMKKUEUMS-UHFFFAOYSA-N 0 0 240.646 2.407 10 0 BEAERN c1ccc2c(c1)CC[C@H](Nc1cnccn1)C2 ZINC000051449029 384667992 /nfs/dbraw/zinc/66/79/92/384667992.db2.gz ONJPUABEFOLRSZ-ZDUSSCGKSA-N 0 0 225.295 2.446 10 0 BEAERN COc1cc(Br)cc2c1NCC2 ZINC000082351139 384672957 /nfs/dbraw/zinc/67/29/57/384672957.db2.gz YTYXZSLBHPKSGD-UHFFFAOYSA-N 0 0 228.089 2.426 10 0 BEAERN CC(C)C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000082255496 384652906 /nfs/dbraw/zinc/65/29/06/384652906.db2.gz FUSQIGOUIUCEFI-GFCCVEGCSA-N 0 0 232.327 2.038 10 0 BEAERN Brc1nc([C@H]2CCCO2)co1 ZINC000258750360 384655066 /nfs/dbraw/zinc/65/50/66/384655066.db2.gz CWYAXFVOQSCGOR-ZCFIWIBFSA-N 0 0 218.050 2.289 10 0 BEAERN O=C(c1ccco1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000082277802 384660012 /nfs/dbraw/zinc/66/00/12/384660012.db2.gz QKFJALOLFMCYLR-LLVKDONJSA-N 0 0 245.282 2.370 10 0 BEAERN CC[C@H](C)CN(C)Cc1nnc(C)n1CC ZINC000171950121 384681572 /nfs/dbraw/zinc/68/15/72/384681572.db2.gz UWRWWCUXMLMIGE-JTQLQIEISA-N 0 0 224.352 2.084 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000309881922 384689446 /nfs/dbraw/zinc/68/94/46/384689446.db2.gz VWAMPJXAXXBVBY-JZYVYDRUSA-N 0 0 221.279 2.443 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nccn2C)s1 ZINC000125187009 384702698 /nfs/dbraw/zinc/70/26/98/384702698.db2.gz NFNVFYLQNYEHFR-SECBINFHSA-N 0 0 236.344 2.036 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c(C)c1 ZINC000051989513 384707169 /nfs/dbraw/zinc/70/71/69/384707169.db2.gz VUYKHUYBXXANEK-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN CON(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000185349986 384708855 /nfs/dbraw/zinc/70/88/55/384708855.db2.gz SDMNTCOIGTUVIK-LBPRGKRZSA-N 0 0 234.299 2.267 10 0 BEAERN CCS(=O)(=O)c1ccccc1N[C@@H]1C[C@H]1C ZINC000052291048 384727849 /nfs/dbraw/zinc/72/78/49/384727849.db2.gz QVRZTZGIXWIJLW-MWLCHTKSSA-N 0 0 239.340 2.301 10 0 BEAERN c1cc(N2CCOC3(CCC3)C2)nc(C2CC2)n1 ZINC000125463329 384717743 /nfs/dbraw/zinc/71/77/43/384717743.db2.gz MVHWOINMROKPFY-UHFFFAOYSA-N 0 0 245.326 2.113 10 0 BEAERN O=C(c1ccco1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000125473978 384717884 /nfs/dbraw/zinc/71/78/84/384717884.db2.gz RVDCHRBSSOLJRE-RISCZKNCSA-N 0 0 249.310 2.047 10 0 BEAERN CCc1ccc(CCC(=O)N2CCCO2)cc1 ZINC000125431365 384719619 /nfs/dbraw/zinc/71/96/19/384719619.db2.gz VJBDZPZAKKOGIF-UHFFFAOYSA-N 0 0 233.311 2.346 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000052299107 384733282 /nfs/dbraw/zinc/73/32/82/384733282.db2.gz OJOQLMIOZWXTFG-NOZJJQNGSA-N 0 0 228.295 2.235 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000648156345 384747990 /nfs/dbraw/zinc/74/79/90/384747990.db2.gz AVEMFEWMQDSOLE-MROQNXINSA-N 0 0 239.359 2.088 10 0 BEAERN CC(C)n1nnnc1CN1[C@H](C)CCC[C@@H]1C ZINC000108864376 384755647 /nfs/dbraw/zinc/75/56/47/384755647.db2.gz KAOAKSOBCMXKAU-PHIMTYICSA-N 0 0 237.351 2.017 10 0 BEAERN CCN(CC)C(=O)NOCc1ccccc1 ZINC000103321351 384759330 /nfs/dbraw/zinc/75/93/30/384759330.db2.gz VVROQHUFUVIVAV-UHFFFAOYSA-N 0 0 222.288 2.170 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000103356940 384762467 /nfs/dbraw/zinc/76/24/67/384762467.db2.gz WWSUKVHRTQXSSD-STQMWFEESA-N 0 0 249.354 2.406 10 0 BEAERN CCc1cc(OC)cc(C(N)=O)c1SC ZINC000575702546 384763328 /nfs/dbraw/zinc/76/33/28/384763328.db2.gz GOUSPHJHTQCEBX-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CCc1ccccc1NC(=O)[C@@H](C)COC ZINC000103358655 384764312 /nfs/dbraw/zinc/76/43/12/384764312.db2.gz RPHWQBPTVBCDIX-JTQLQIEISA-N 0 0 221.300 2.470 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000103378095 384764561 /nfs/dbraw/zinc/76/45/61/384764561.db2.gz ZSAHECJORDZLLN-UWVGGRQHSA-N 0 0 241.356 2.078 10 0 BEAERN CCOc1ccc(OC(=O)[C@@H](C)COC)cc1 ZINC000103358230 384764712 /nfs/dbraw/zinc/76/47/12/384764712.db2.gz KLJWPILTIMJQFM-JTQLQIEISA-N 0 0 238.283 2.273 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000103378098 384765310 /nfs/dbraw/zinc/76/53/10/384765310.db2.gz ZSAHECJORDZLLN-ZJUUUORDSA-N 0 0 241.356 2.078 10 0 BEAERN COC[C@@H](C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000103373188 384765765 /nfs/dbraw/zinc/76/57/65/384765765.db2.gz HKSYFDZVXRTUHI-NXEZZACHSA-N 0 0 225.288 2.082 10 0 BEAERN COC[C@H](C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000103388174 384768819 /nfs/dbraw/zinc/76/88/19/384768819.db2.gz QFECPFAYDJSZHX-JSGCOSHPSA-N 0 0 247.338 2.285 10 0 BEAERN Nc1nc(-c2ccc(Cl)cn2)cs1 ZINC000072204280 384819924 /nfs/dbraw/zinc/81/99/24/384819924.db2.gz SFZJNQNTZUIQHX-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cc1ccc(C(N)=O)c(C(F)(F)F)c1F ZINC000575710092 384830501 /nfs/dbraw/zinc/83/05/01/384830501.db2.gz PKUHPIFLKIZRBX-UHFFFAOYSA-N 0 0 221.153 2.252 10 0 BEAERN CC(C)OC(=O)N[C@@H]1CSC1(C)C ZINC000306830951 384835417 /nfs/dbraw/zinc/83/54/17/384835417.db2.gz LZINBUHHDGUTQJ-SSDOTTSWSA-N 0 0 203.307 2.015 10 0 BEAERN O=C1OCc2cc(Br)sc21 ZINC000145944746 384787904 /nfs/dbraw/zinc/78/79/04/384787904.db2.gz HBIDOOVHQAJXKB-UHFFFAOYSA-N 0 0 219.059 2.181 10 0 BEAERN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2O)o1 ZINC000038097770 384795856 /nfs/dbraw/zinc/79/58/56/384795856.db2.gz PXDKFBIBUWXTRY-AXFHLTTASA-N 0 0 209.289 2.152 10 0 BEAERN Cc1ccc(C)c(C(=O)N2C[C@H](C)C[C@@H](O)C2)c1 ZINC000335083662 384797533 /nfs/dbraw/zinc/79/75/33/384797533.db2.gz MSUCBSHNXXNGMP-DGCLKSJQSA-N 0 0 247.338 2.146 10 0 BEAERN Fc1ccc(-n2nccc2-c2ncccn2)cc1 ZINC000072190524 384804610 /nfs/dbraw/zinc/80/46/10/384804610.db2.gz SVUIVTLFODOLTF-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN Cc1cnn(-c2cncc(Br)c2)c1 ZINC000072192788 384811827 /nfs/dbraw/zinc/81/18/27/384811827.db2.gz AUXATFWHCOQRSE-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103163338 384814824 /nfs/dbraw/zinc/81/48/24/384814824.db2.gz HBFJRJQQPZMYBZ-GHMZBOCLSA-N 0 0 233.377 2.141 10 0 BEAERN COc1cc(C=O)c(F)c(SC)c1 ZINC000575708561 384815139 /nfs/dbraw/zinc/81/51/39/384815139.db2.gz RVUNYAXPJPTJDW-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN CC(=O)c1c(N)cc(OC(F)F)cc1F ZINC000575716209 384873487 /nfs/dbraw/zinc/87/34/87/384873487.db2.gz NZLAHPHBRFDQJZ-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN c1cn(C[C@H]2CCCc3ncccc32)cn1 ZINC000013808184 384874402 /nfs/dbraw/zinc/87/44/02/384874402.db2.gz JFGSPJCAHNGXLH-LLVKDONJSA-N 0 0 213.284 2.398 10 0 BEAERN Cc1cnc([C@@H](C)NCCc2cscn2)o1 ZINC000336757472 384876094 /nfs/dbraw/zinc/87/60/94/384876094.db2.gz ZCHYPOIUUXSXCI-SECBINFHSA-N 0 0 237.328 2.333 10 0 BEAERN CCOc1cc(N)cc(C(C)=O)c1CC ZINC000575716506 384877848 /nfs/dbraw/zinc/87/78/48/384877848.db2.gz DLELABUYJUFULU-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN Cc1ncc(CN2[C@H](C)COC[C@H]2C)s1 ZINC000077370522 384880517 /nfs/dbraw/zinc/88/05/17/384880517.db2.gz GWYMAQHENXDJBQ-RKDXNWHRSA-N 0 0 226.345 2.061 10 0 BEAERN c1csc([C@@H](Nc2ncccn2)C2CC2)n1 ZINC000301378333 384880830 /nfs/dbraw/zinc/88/08/30/384880830.db2.gz XKBNCAAKBCDOLI-VIFPVBQESA-N 0 0 232.312 2.496 10 0 BEAERN CCc1cccc(CC(=O)N[C@H]2C[C@H]2C)c1 ZINC000123376159 384882603 /nfs/dbraw/zinc/88/26/03/384882603.db2.gz DQMJMRUXMZOULI-MFKMUULPSA-N 0 0 217.312 2.316 10 0 BEAERN CC(C)C(=O)N(C)CCc1ccc(F)cc1 ZINC000055368566 384882839 /nfs/dbraw/zinc/88/28/39/384882839.db2.gz AOIWVAHAFYMBKA-UHFFFAOYSA-N 0 0 223.291 2.483 10 0 BEAERN COc1cc(N)cc(OC(F)F)c1C(C)=O ZINC000575717587 384883068 /nfs/dbraw/zinc/88/30/68/384883068.db2.gz SYCFZNZOUKJSFS-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nc(CCOC)ns1 ZINC000301529524 384890007 /nfs/dbraw/zinc/89/00/07/384890007.db2.gz HCWGCLKIZXTUPR-DTWKUNHWSA-N 0 0 241.360 2.328 10 0 BEAERN CSc1ccc(NC[C@]2(C)CCCO2)nn1 ZINC000301545687 384890105 /nfs/dbraw/zinc/89/01/05/384890105.db2.gz DRPFSXNCASWABB-NSHDSACASA-N 0 0 239.344 2.180 10 0 BEAERN Nc1onc2c1cnc1c(F)cc(F)cc21 ZINC000072237083 384841815 /nfs/dbraw/zinc/84/18/15/384841815.db2.gz CFUYIFZGKQOFEU-UHFFFAOYSA-N 0 0 221.166 2.236 10 0 BEAERN CC(C)C1CCC(C(=O)[O-])([NH+](C)C)CC1 ZINC000054557591 384843571 /nfs/dbraw/zinc/84/35/71/384843571.db2.gz YTYZAZJTJBBZGU-UHFFFAOYSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)(C)c1nc(-c2ccc(O)c(N)c2)n[nH]1 ZINC000072237564 384845587 /nfs/dbraw/zinc/84/55/87/384845587.db2.gz BJUJWAKEECRKQJ-UHFFFAOYSA-N 0 0 232.287 2.057 10 0 BEAERN COC(=O)c1c(C)cc(Cl)cc1O ZINC000575713301 384858674 /nfs/dbraw/zinc/85/86/74/384858674.db2.gz WSSKCOKZNJXLOQ-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CC(=O)c1csc(Br)n1 ZINC000084305922 384859835 /nfs/dbraw/zinc/85/98/35/384859835.db2.gz KMLXESRYDSFCOJ-UHFFFAOYSA-N 0 0 206.064 2.108 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(c2ccc3ccccc3n2)C1 ZINC000335237989 384864716 /nfs/dbraw/zinc/86/47/16/384864716.db2.gz OGGDZPGNAHNOPJ-DGCLKSJQSA-N 0 0 242.322 2.442 10 0 BEAERN Cc1sccc1-c1cc(NN)ccn1 ZINC000227863070 384951083 /nfs/dbraw/zinc/95/10/83/384951083.db2.gz HNOCIZPXAYITPW-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN COC[C@H](O)CN(c1ccc(F)cc1)C(C)C ZINC000127877136 384957681 /nfs/dbraw/zinc/95/76/81/384957681.db2.gz SDPSYBGCRMBWCL-CYBMUJFWSA-N 0 0 241.306 2.048 10 0 BEAERN Nc1cc(N)c(Cl)c(Br)c1 ZINC000575720393 384892913 /nfs/dbraw/zinc/89/29/13/384892913.db2.gz VJCSZRGPIQGAJK-UHFFFAOYSA-N 0 0 221.485 2.267 10 0 BEAERN CO[C@@H](C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000055700765 384893272 /nfs/dbraw/zinc/89/32/72/384893272.db2.gz JSMBMSJHBJKFGR-ZETCQYMHSA-N 0 0 234.255 2.110 10 0 BEAERN CCOc1c(N)cc(N)cc1Br ZINC000575719963 384894353 /nfs/dbraw/zinc/89/43/53/384894353.db2.gz QDRVTPSPYJTQEY-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN Nc1c(O)c(Cl)ccc1OC(F)F ZINC000575720639 384895443 /nfs/dbraw/zinc/89/54/43/384895443.db2.gz NSJNKOKNTKROTL-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CC(C)(C)Cc1nc(Br)no1 ZINC000156572283 384895809 /nfs/dbraw/zinc/89/58/09/384895809.db2.gz ZCPCQISGOUUNOZ-UHFFFAOYSA-N 0 0 219.082 2.421 10 0 BEAERN COc1cc(N)cc(OC(F)F)c1C ZINC000575723268 384901975 /nfs/dbraw/zinc/90/19/75/384901975.db2.gz OGMNYXVCLLCIPT-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCCc1nnc(NC[C@H]2CCC[C@@H]2O)s1 ZINC000301647933 384902859 /nfs/dbraw/zinc/90/28/59/384902859.db2.gz FDGFOVBWLUGPDW-BDAKNGLRSA-N 0 0 241.360 2.064 10 0 BEAERN COc1cc(OC(F)F)cc(C)c1N ZINC000575723636 384905736 /nfs/dbraw/zinc/90/57/36/384905736.db2.gz RXKZYBDMPCSGBF-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)c1c(CC)cc(N)cc1OCC ZINC000575724155 384906207 /nfs/dbraw/zinc/90/62/07/384906207.db2.gz WTDSIMXSEWLWNT-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCCc1nnc(NC[C@@H](C)C[C@H](C)O)s1 ZINC000301666090 384906363 /nfs/dbraw/zinc/90/63/63/384906363.db2.gz MBZHKUFBBDFVSH-IUCAKERBSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(CC)c1C ZINC000575724278 384907911 /nfs/dbraw/zinc/90/79/11/384907911.db2.gz DGCPQWOUFDNEOZ-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncnc2ccccc21 ZINC000150027727 384958805 /nfs/dbraw/zinc/95/88/05/384958805.db2.gz HDANHKZJPCGWAG-KOLCDFICSA-N 0 0 229.283 2.219 10 0 BEAERN O=Cc1ccc(Br)c2cncnc12 ZINC000095835581 384913978 /nfs/dbraw/zinc/91/39/78/384913978.db2.gz DJVLTFWZJRRQLD-UHFFFAOYSA-N 0 0 237.056 2.205 10 0 BEAERN COc1cc(O)c(N)c(C(F)(F)F)c1 ZINC000575727444 384915781 /nfs/dbraw/zinc/91/57/81/384915781.db2.gz FCTWYAHLZXPAAO-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Nc1ccc(C2(CO)CCCCC2)cc1 ZINC000071478615 384918759 /nfs/dbraw/zinc/91/87/59/384918759.db2.gz TYJOQRKZPOPSQE-UHFFFAOYSA-N 0 0 205.301 2.463 10 0 BEAERN Cc1c(N)ccc(O)c1OC(F)(F)F ZINC000575729225 384919006 /nfs/dbraw/zinc/91/90/06/384919006.db2.gz XXHFPWCLZMCLGH-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN CC(C)COC[C@H](C)Nc1ncc(F)cn1 ZINC000301790279 384920675 /nfs/dbraw/zinc/92/06/75/384920675.db2.gz RAUOPQQAEUYUQM-VIFPVBQESA-N 0 0 227.283 2.089 10 0 BEAERN Cc1cscc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000175522582 384921059 /nfs/dbraw/zinc/92/10/59/384921059.db2.gz ZDUMDLYVTZVXMF-KOLCDFICSA-N 0 0 239.340 2.354 10 0 BEAERN C[N@H+](CCO)Cc1ccc(C(C)(C)C)s1 ZINC000127924344 384921468 /nfs/dbraw/zinc/92/14/68/384921468.db2.gz BYUGKLFRLBZKJZ-UHFFFAOYSA-N 0 0 227.373 2.470 10 0 BEAERN COc1c(C)ccc(OC(F)(F)F)c1CO ZINC000575730095 384925730 /nfs/dbraw/zinc/92/57/30/384925730.db2.gz SFOPYRQQERAQDR-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN C[C@H](N(C)Cc1nnc(C2CC2)n1C)C1(C)CC1 ZINC000177239371 384927351 /nfs/dbraw/zinc/92/73/51/384927351.db2.gz LESHKGADHAXUFG-JTQLQIEISA-N 0 0 248.374 2.313 10 0 BEAERN CCn1ccnc1C[S@@](=O)[C@H](C)C(C)C ZINC000177296151 384946894 /nfs/dbraw/zinc/94/68/94/384946894.db2.gz NDRAOQJHIPGCDA-MEBBXXQBSA-N 0 0 228.361 2.196 10 0 BEAERN CCC(CC)[S@](=O)Cc1nccn1CC ZINC000177295347 384947192 /nfs/dbraw/zinc/94/71/92/384947192.db2.gz QSNSJALPRYVSOJ-OAHLLOKOSA-N 0 0 228.361 2.340 10 0 BEAERN CSC(C)(C)CNc1nccnc1N(C)C ZINC000302199047 384978451 /nfs/dbraw/zinc/97/84/51/384978451.db2.gz QMTDFZXGFLKVCF-UHFFFAOYSA-N 0 0 240.376 2.096 10 0 BEAERN CC[C@H]1C[C@H]1Nc1ncnc(Cl)c1NC ZINC000302542308 384998484 /nfs/dbraw/zinc/99/84/84/384998484.db2.gz IBFXNGXWLXVILM-NKWVEPMBSA-N 0 0 226.711 2.382 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000310364777 385012186 /nfs/dbraw/zinc/01/21/86/385012186.db2.gz VRJRDSWYWXQWSJ-GHMZBOCLSA-N 0 0 241.375 2.336 10 0 BEAERN CCC[C@H](OC)c1noc(C[C@H](O)C(C)C)n1 ZINC000156899352 385012668 /nfs/dbraw/zinc/01/26/68/385012668.db2.gz SWVVHNHDBHWBGX-UWVGGRQHSA-N 0 0 242.319 2.117 10 0 BEAERN CC(C)COCCNc1ncccc1F ZINC000129843827 385013391 /nfs/dbraw/zinc/01/33/91/385013391.db2.gz HLFCZNQBEQJDMG-UHFFFAOYSA-N 0 0 212.268 2.305 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000058576304 385014857 /nfs/dbraw/zinc/01/48/57/385014857.db2.gz AYQUQPPDSKSHIS-JQWIXIFHSA-N 0 0 248.326 2.464 10 0 BEAERN Cc1cnn(CCNc2ncc(C)s2)c1 ZINC000302077715 384964456 /nfs/dbraw/zinc/96/44/56/384964456.db2.gz AOOULQGNXOODGO-UHFFFAOYSA-N 0 0 222.317 2.069 10 0 BEAERN COC[C@@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000150738237 385052613 /nfs/dbraw/zinc/05/26/13/385052613.db2.gz DNVLZOUBZBECJJ-LLVKDONJSA-N 0 0 227.348 2.211 10 0 BEAERN C/C=C(\C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000176380789 385075611 /nfs/dbraw/zinc/07/56/11/385075611.db2.gz ZBHJXIYVEOOQAA-AAXQSMANSA-N 0 0 241.331 2.141 10 0 BEAERN CCC1(CNC(=O)CCc2ccnn2C)CCC1 ZINC000128865303 385081338 /nfs/dbraw/zinc/08/13/38/385081338.db2.gz LNJXHCYZZMELNL-UHFFFAOYSA-N 0 0 249.358 2.049 10 0 BEAERN C[N@H+](Cc1cccc2c1NCC2)C1CC1 ZINC000130478129 385044055 /nfs/dbraw/zinc/04/40/55/385044055.db2.gz SCLHMFZPKRXGLO-UHFFFAOYSA-N 0 0 202.301 2.249 10 0 BEAERN CS[C@@H](C)CNC(=O)[C@@H](C)c1cccnc1 ZINC000129107228 385110751 /nfs/dbraw/zinc/11/07/51/385110751.db2.gz PXRHOYZMMUJKTQ-UWVGGRQHSA-N 0 0 238.356 2.053 10 0 BEAERN FC(F)(F)COc1nc(Cl)nc(Cl)n1 ZINC000061517674 385119488 /nfs/dbraw/zinc/11/94/88/385119488.db2.gz GCFFNZUYUQOBOT-UHFFFAOYSA-N 0 0 247.991 2.120 10 0 BEAERN O=c1[nH]c2cc(Br)cc(F)c2o1 ZINC000052066128 385129987 /nfs/dbraw/zinc/12/99/87/385129987.db2.gz FOJMRBYYEDHXSO-UHFFFAOYSA-N 0 0 232.008 2.023 10 0 BEAERN CC[C@H](C)CN(CC)Cc1nnnn1C(C)C ZINC000177854329 385130384 /nfs/dbraw/zinc/13/03/84/385130384.db2.gz PGLCGISWBHWWQM-NSHDSACASA-N 0 0 239.367 2.122 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1O ZINC000189219985 385137272 /nfs/dbraw/zinc/13/72/72/385137272.db2.gz KDUYNUQZWRFSDC-UWVGGRQHSA-N 0 0 235.283 2.146 10 0 BEAERN CCc1ccccc1C(=O)NC[C@@H](O)C(C)(C)C ZINC000131426445 385087289 /nfs/dbraw/zinc/08/72/89/385087289.db2.gz NDELBZIOXVZELR-CYBMUJFWSA-N 0 0 249.354 2.386 10 0 BEAERN Cc1ccnc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000188804817 385090525 /nfs/dbraw/zinc/09/05/25/385090525.db2.gz GCUSXTOGKUVQLH-MNOVXSKESA-N 0 0 234.299 2.144 10 0 BEAERN Cc1ccc(O)c(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000189795813 385183250 /nfs/dbraw/zinc/18/32/50/385183250.db2.gz MVHZRDAOHLCUHP-QWRGUYRKSA-N 0 0 249.310 2.454 10 0 BEAERN CN(C[C@H](O)C(F)(F)F)c1ccc(F)cc1 ZINC000109706802 385186062 /nfs/dbraw/zinc/18/60/62/385186062.db2.gz MEEAKHNKXTXQTA-VIFPVBQESA-N 0 0 237.196 2.185 10 0 BEAERN Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)c(C)n1 ZINC000176761096 385146235 /nfs/dbraw/zinc/14/62/35/385146235.db2.gz JHOZNUVJNARALK-WRWORJQWSA-N 0 0 219.288 2.228 10 0 BEAERN Cc1ccnc(Oc2ccc(CCO)cc2)n1 ZINC000157317306 385146613 /nfs/dbraw/zinc/14/66/13/385146613.db2.gz AXONMSRZHRJQLM-UHFFFAOYSA-N 0 0 230.267 2.112 10 0 BEAERN O=Cc1c(Cl)nc(C2CC2)nc1Cl ZINC000066327943 385151939 /nfs/dbraw/zinc/15/19/39/385151939.db2.gz GQHMQHMPAVEDMZ-UHFFFAOYSA-N 0 0 217.055 2.473 10 0 BEAERN COCCc1ccccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000189411007 385153298 /nfs/dbraw/zinc/15/32/98/385153298.db2.gz APMSMPRIAJAJGX-GXFFZTMASA-N 0 0 248.326 2.405 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000189398301 385154647 /nfs/dbraw/zinc/15/46/47/385154647.db2.gz HCLUPPBABJDEQB-JOYOIKCWSA-N 0 0 235.283 2.146 10 0 BEAERN c1cc(N2CCCCC2)nc(C2CC2)n1 ZINC000110110636 385212932 /nfs/dbraw/zinc/21/29/32/385212932.db2.gz DQINEMYRJRXPNJ-UHFFFAOYSA-N 0 0 203.289 2.344 10 0 BEAERN CCc1ccccc1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000152841842 385214803 /nfs/dbraw/zinc/21/48/03/385214803.db2.gz JMGUCIMFVHIXLB-JSGCOSHPSA-N 0 0 247.338 2.140 10 0 BEAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCOCC1 ZINC000158135837 385228113 /nfs/dbraw/zinc/22/81/13/385228113.db2.gz LEKJQKIYELBLCL-QWHCGFSZSA-N 0 0 237.343 2.062 10 0 BEAERN COC(=O)c1ccc(N[C@@H](C)c2ccco2)nn1 ZINC000037527460 385229151 /nfs/dbraw/zinc/22/91/51/385229151.db2.gz LWPAJXHVRINDRU-QMMMGPOBSA-N 0 0 247.254 2.029 10 0 BEAERN O=C([O-])[C@@H]1CCCCC[C@@H]1[NH+]1CCCC1 ZINC000062749994 385230509 /nfs/dbraw/zinc/23/05/09/385230509.db2.gz NRPZXXWESCLWHS-MNOVXSKESA-N 0 0 211.305 2.116 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H]1[NH+]1CCCCCC1 ZINC000062750325 385230653 /nfs/dbraw/zinc/23/06/53/385230653.db2.gz AAHQIJOTSMDMSQ-MNOVXSKESA-N 0 0 211.305 2.116 10 0 BEAERN Clc1nccc(Cc2cccnc2)n1 ZINC000064033913 385243683 /nfs/dbraw/zinc/24/36/83/385243683.db2.gz NKYCEVZRVCRKJY-UHFFFAOYSA-N 0 0 205.648 2.116 10 0 BEAERN Nc1nonc1-c1ccc(F)cc1Cl ZINC000062608921 385243799 /nfs/dbraw/zinc/24/37/99/385243799.db2.gz BZYRFYAQUODISM-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN C[C@H]1CN(c2ccnc(C3CC3)n2)CCS1 ZINC000110540990 385246589 /nfs/dbraw/zinc/24/65/89/385246589.db2.gz FQARUFKOQXOGKO-VIFPVBQESA-N 0 0 235.356 2.296 10 0 BEAERN Cc1cc(C)c(C)c(OCC(N)=S)c1 ZINC000005592667 385204113 /nfs/dbraw/zinc/20/41/13/385204113.db2.gz UALHFMZNEABOJN-UHFFFAOYSA-N 0 0 209.314 2.277 10 0 BEAERN CCCCCC(=O)NC[C@@H](O)C(C)(C)C ZINC000120304801 385308260 /nfs/dbraw/zinc/30/82/60/385308260.db2.gz FLRLIWJXLSQYPR-SNVBAGLBSA-N 0 0 215.337 2.090 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@H]2CC[C@@H](C)C2)c1 ZINC000130585326 385264232 /nfs/dbraw/zinc/26/42/32/385264232.db2.gz CNYKMLUQOGZBRH-YPMHNXCESA-N 0 0 249.358 2.134 10 0 BEAERN Cc1cc(N)nn1C[C@H]1C[C@H]1c1ccccc1 ZINC000575601989 385267577 /nfs/dbraw/zinc/26/75/77/385267577.db2.gz JPOPFOVLQMHFBU-OLZOCXBDSA-N 0 0 227.311 2.408 10 0 BEAERN C[C@@](F)(C[NH3+])c1occc1Br ZINC000156449993 385284896 /nfs/dbraw/zinc/28/48/96/385284896.db2.gz LANHHVLGLJMZMT-SSDOTTSWSA-N 0 0 222.057 2.186 10 0 BEAERN CCOP(=O)(Cc1ccno1)OCC ZINC000034519268 385285656 /nfs/dbraw/zinc/28/56/56/385285656.db2.gz FQAKOJSAHJPOCA-UHFFFAOYSA-N 0 0 219.177 2.441 10 0 BEAERN CCO[C@@H]1C=CC(c2ccccc2)=NO1 ZINC000034590228 385287102 /nfs/dbraw/zinc/28/71/02/385287102.db2.gz SPUCSHYJLIWXBM-LBPRGKRZSA-N 0 0 203.241 2.340 10 0 BEAERN Cc1cc(C)n(CC(=O)NCCC2=CCCC2)n1 ZINC000130971832 385299430 /nfs/dbraw/zinc/29/94/30/385299430.db2.gz IHQDAGVRIROURT-UHFFFAOYSA-N 0 0 247.342 2.117 10 0 BEAERN Nc1ccc(C(=O)NCc2ccccc2)cc1F ZINC000054405237 385330257 /nfs/dbraw/zinc/33/02/57/385330257.db2.gz TVWBATHEYSHUJR-UHFFFAOYSA-N 0 0 244.269 2.338 10 0 BEAERN C[C@@H](NC(=O)C1CCCCC1)c1ccon1 ZINC000408057659 385334092 /nfs/dbraw/zinc/33/40/92/385334092.db2.gz XPIOHOUIECXDET-SECBINFHSA-N 0 0 222.288 2.432 10 0 BEAERN Cc1ccc(N2C(=O)c3cccn3C2=O)cc1 ZINC000015782428 385342541 /nfs/dbraw/zinc/34/25/41/385342541.db2.gz BILFGSLEYUUYFH-UHFFFAOYSA-N 0 0 226.235 2.425 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)C2CCCCCC2)C1 ZINC000335355706 385344919 /nfs/dbraw/zinc/34/49/19/385344919.db2.gz FUINHGKFQSRKTI-DGCLKSJQSA-N 0 0 239.359 2.186 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(Cl)nc1C ZINC000192484936 385358651 /nfs/dbraw/zinc/35/86/51/385358651.db2.gz UADFDLJHFMDNGO-SSDOTTSWSA-N 0 0 242.706 2.264 10 0 BEAERN CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)C(C)C ZINC000165274151 385372010 /nfs/dbraw/zinc/37/20/10/385372010.db2.gz DKLVGYZHJFBJRP-GFCCVEGCSA-N 0 0 244.294 2.250 10 0 BEAERN Cc1nc(N2CCCC[C@H]2C)nc(C)c1N ZINC000409428887 385326571 /nfs/dbraw/zinc/32/65/71/385326571.db2.gz PPHXGBLZYLLQQX-MRVPVSSYSA-N 0 0 220.320 2.054 10 0 BEAERN CCOC[C@H]1CCCN1c1ccccc1N ZINC000409428806 385327249 /nfs/dbraw/zinc/32/72/49/385327249.db2.gz NIIHEEXYKMFTTE-LLVKDONJSA-N 0 0 220.316 2.274 10 0 BEAERN CCN(CCc1nccs1)C(=O)C(C)C ZINC000131337949 385327574 /nfs/dbraw/zinc/32/75/74/385327574.db2.gz UZOPJLGJZZAGBV-UHFFFAOYSA-N 0 0 226.345 2.190 10 0 BEAERN Cc1ccc(CNC(=O)C[C@@H](O)C(C)C)c(C)c1 ZINC000155470439 385391985 /nfs/dbraw/zinc/39/19/85/385391985.db2.gz HDRNDYCQDCONML-CQSZACIVSA-N 0 0 249.354 2.327 10 0 BEAERN O=C1CCCC[C@H](c2nc(C3CCCC3)no2)N1 ZINC000193305111 385392281 /nfs/dbraw/zinc/39/22/81/385392281.db2.gz YVOAEXZIVPDNTR-SNVBAGLBSA-N 0 0 249.314 2.459 10 0 BEAERN COc1nn(C)cc1N[C@@H](C)CC(C)C ZINC000309085535 385411291 /nfs/dbraw/zinc/41/12/91/385411291.db2.gz XAZVTNGBWTWSMR-VIFPVBQESA-N 0 0 211.309 2.275 10 0 BEAERN COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000170793469 385446379 /nfs/dbraw/zinc/44/63/79/385446379.db2.gz UKRHMDQOJKKBGL-GZMMTYOYSA-N 0 0 248.282 2.003 10 0 BEAERN Cc1ccc(OCCNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000170808960 385448363 /nfs/dbraw/zinc/44/83/63/385448363.db2.gz NVEFFDKEQNLLDK-YPMHNXCESA-N 0 0 248.326 2.081 10 0 BEAERN COCc1cccc(CN2[C@H](C)COC[C@H]2C)c1 ZINC000179222013 385452087 /nfs/dbraw/zinc/45/20/87/385452087.db2.gz DPGMBBAYMDMPIK-CHWSQXEVSA-N 0 0 249.354 2.442 10 0 BEAERN [NH3+][C@H](c1cccs1)C1(C(=O)[O-])CCC1 ZINC000259477761 385474667 /nfs/dbraw/zinc/47/46/67/385474667.db2.gz POCCSEWNQPVRRQ-MRVPVSSYSA-N 0 0 211.286 2.003 10 0 BEAERN C[C@H](c1nc(Br)no1)C1CC1 ZINC000156581215 385458833 /nfs/dbraw/zinc/45/88/33/385458833.db2.gz QTLYHNHLQJOVGZ-BYPYZUCNSA-N 0 0 217.066 2.346 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@H]3C[C@@H]3C)cc2n1 ZINC000171506494 385491588 /nfs/dbraw/zinc/49/15/88/385491588.db2.gz FAYIADATXLSNMN-CBAPKCEASA-N 0 0 230.267 2.274 10 0 BEAERN C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1CC(=O)[O-] ZINC000309312526 385531649 /nfs/dbraw/zinc/53/16/49/385531649.db2.gz CHRHGGSUWUDPGF-BDAKNGLRSA-N 0 0 225.313 2.011 10 0 BEAERN Cc1cnc(CN2[C@@H](C)COC[C@@H]2C)s1 ZINC000180506971 385526685 /nfs/dbraw/zinc/52/66/85/385526685.db2.gz ABSWWVDGFOGXCO-IUCAKERBSA-N 0 0 226.345 2.061 10 0 BEAERN CO[C@@H](C)CCC(=O)N[C@@H]1COc2ccccc21 ZINC000181257757 385569036 /nfs/dbraw/zinc/56/90/36/385569036.db2.gz QMUUWCZRTNSHQA-CMPLNLGQSA-N 0 0 249.310 2.051 10 0 BEAERN CCOC(=O)c1cc(OC)c(F)c(OC)c1 ZINC000259910573 385593645 /nfs/dbraw/zinc/59/36/45/385593645.db2.gz FXKBMZAQQUWFTQ-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN COC(=O)c1cc(F)cc(OC)c1Cl ZINC000259946395 385613955 /nfs/dbraw/zinc/61/39/55/385613955.db2.gz FGHDZOMEBNGXKF-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CC(C)CC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197873 385608011 /nfs/dbraw/zinc/60/80/11/385608011.db2.gz KGHPLOGGUZRMIJ-JTQLQIEISA-N 0 0 238.335 2.083 10 0 BEAERN CC(C)CCCNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000337343151 385610883 /nfs/dbraw/zinc/61/08/83/385610883.db2.gz XEZULBWESKOTAD-RYUDHWBXSA-N 0 0 242.363 2.289 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc(C)c1F ZINC000182295190 385653901 /nfs/dbraw/zinc/65/39/01/385653901.db2.gz FNJFGPBZDGSIPZ-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN CC(C)(O)C(=O)c1cccc(Br)c1 ZINC000259130980 385655080 /nfs/dbraw/zinc/65/50/80/385655080.db2.gz JJVNDZHGUYIGEX-UHFFFAOYSA-N 0 0 243.100 2.403 10 0 BEAERN O=C(NC1CCC1)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000645215098 385674616 /nfs/dbraw/zinc/67/46/16/385674616.db2.gz ZHHDUFFXFKECMA-JMJZKYOTSA-N 0 0 208.305 2.027 10 0 BEAERN Fc1cc(-c2cc[nH]n2)ccc1-n1cccn1 ZINC000253566422 385684913 /nfs/dbraw/zinc/68/49/13/385684913.db2.gz IXMZMIBTWKBHSY-UHFFFAOYSA-N 0 0 228.230 2.402 10 0 BEAERN CC(=O)OCCc1cccc(F)c1F ZINC000211749667 385691405 /nfs/dbraw/zinc/69/14/05/385691405.db2.gz YXQZSDAAGWRBOR-UHFFFAOYSA-N 0 0 200.184 2.070 10 0 BEAERN c1nc([C@@H]2CCCCN2[C@H]2C=CCCC2)n[nH]1 ZINC000182694622 385694067 /nfs/dbraw/zinc/69/40/67/385694067.db2.gz RTPJCMUFWGKKPA-RYUDHWBXSA-N 0 0 232.331 2.440 10 0 BEAERN C[C@]1(O)CC=CC(=O)[C@H]1C(=O)c1ccccc1 ZINC000211852390 385697613 /nfs/dbraw/zinc/69/76/13/385697613.db2.gz KUYXUKKXBUWTRS-JSGCOSHPSA-N 0 0 230.263 2.248 10 0 BEAERN COC(=O)c1c(O)ccc(C)c1Br ZINC000260099880 385670914 /nfs/dbraw/zinc/67/09/14/385670914.db2.gz NBURESWWCRWNHA-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN CC1(C)CCC(CSC[C@@H](O)CO)CC1 ZINC000185694447 385736361 /nfs/dbraw/zinc/73/63/61/385736361.db2.gz CVUCNSGRTNPZAW-NSHDSACASA-N 0 0 232.389 2.289 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)CCSC ZINC000336655548 385759354 /nfs/dbraw/zinc/75/93/54/385759354.db2.gz OYNRZYJLCAKRRD-BDAKNGLRSA-N 0 0 201.335 2.044 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1c1ccno1 ZINC000616584180 385725568 /nfs/dbraw/zinc/72/55/68/385725568.db2.gz IATOJQMUZOJGMO-CQSZACIVSA-N 0 0 242.278 2.169 10 0 BEAERN COC(=O)[C@@]1(C)CC[C@@](C(=O)OC)(C(C)C)C1 ZINC000216078112 385858347 /nfs/dbraw/zinc/85/83/47/385858347.db2.gz DZSWKBZPPVWXQL-STQMWFEESA-N 0 0 242.315 2.165 10 0 BEAERN CC1(C)CCCN1C1N=NC(=S)S1 ZINC000063072478 385789654 /nfs/dbraw/zinc/78/96/54/385789654.db2.gz NFSAAQCOEWXJBQ-UHFFFAOYSA-N 0 0 215.347 2.206 10 0 BEAERN OC[C@H](O)CSCC/C=C/c1ccccc1 ZINC000323556184 385884143 /nfs/dbraw/zinc/88/41/43/385884143.db2.gz HNJFTRORJVYNDU-GBVBUYCNSA-N 0 0 238.352 2.176 10 0 BEAERN C[C@@H]1CC[C@H](N2CN=NC2=S)CS1 ZINC000575536122 385909872 /nfs/dbraw/zinc/90/98/72/385909872.db2.gz TVNXYADSEYJAJC-RQJHMYQMSA-N 0 0 215.347 2.023 10 0 BEAERN Cc1cscc1C(=O)c1ccn(C)n1 ZINC000231969717 385921183 /nfs/dbraw/zinc/92/11/83/385921183.db2.gz WBEGPUHBXHCJPS-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN CCN(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000121955206 385872484 /nfs/dbraw/zinc/87/24/84/385872484.db2.gz JLLYMUQMEDAJSA-SECBINFHSA-N 0 0 210.277 2.310 10 0 BEAERN CCCNC(=O)c1cc(F)cnc1Cl ZINC000220355026 385965271 /nfs/dbraw/zinc/96/52/71/385965271.db2.gz LFLWSWRXLBZMPX-UHFFFAOYSA-N 0 0 216.643 2.014 10 0 BEAERN CCOC(=O)c1ccc(C(=O)C2CC2)o1 ZINC000261119333 386006645 /nfs/dbraw/zinc/00/66/45/386006645.db2.gz DBUNFIAWDOTOQU-UHFFFAOYSA-N 0 0 208.213 2.049 10 0 BEAERN CCOC(=O)c1nc(OC)ccc1C(F)(F)F ZINC000261201277 386011662 /nfs/dbraw/zinc/01/16/62/386011662.db2.gz ZKHJGYJNWZADPM-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN COC(=O)c1cc2c(o1)CCCC2(F)F ZINC000261296681 386014645 /nfs/dbraw/zinc/01/46/45/386014645.db2.gz OHBXIUMNEIIPHC-UHFFFAOYSA-N 0 0 216.183 2.494 10 0 BEAERN Cc1nc(C(=O)N2C[C@@H]3CCC[C@H]32)c(C)s1 ZINC000334454046 386103017 /nfs/dbraw/zinc/10/30/17/386103017.db2.gz DXMMMIVSDKLVOZ-VHSXEESVSA-N 0 0 236.340 2.384 10 0 BEAERN Nc1cc(Cl)nc(NCCCF)c1 ZINC000307349571 386109803 /nfs/dbraw/zinc/10/98/03/386109803.db2.gz SEXPIKMQVPQNHT-UHFFFAOYSA-N 0 0 203.648 2.089 10 0 BEAERN CC(C)(C(=O)N[C@@H]1CCCCC[C@H]1O)C(F)F ZINC000335139656 386115628 /nfs/dbraw/zinc/11/56/28/386115628.db2.gz XEKWGRQWQYBZMQ-RKDXNWHRSA-N 0 0 249.301 2.088 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccon1 ZINC000408336746 386124247 /nfs/dbraw/zinc/12/42/47/386124247.db2.gz PSKFJRMYLCKESO-SFYZADRCSA-N 0 0 244.241 2.287 10 0 BEAERN C[C@]1(O)CCC[C@H]1NOCc1ccccc1 ZINC000307715539 386069875 /nfs/dbraw/zinc/06/98/75/386069875.db2.gz HXMMZNXCDQZFRK-OLZOCXBDSA-N 0 0 221.300 2.011 10 0 BEAERN C[C@@H](O)C(=O)c1c(F)c(F)ccc1Cl ZINC000307714743 386070616 /nfs/dbraw/zinc/07/06/16/386070616.db2.gz DQWPLEWFPLCXQW-SCSAIBSYSA-N 0 0 220.602 2.182 10 0 BEAERN C[C@@H](c1nncn1C1CC1)C(C)(F)F ZINC000307715011 386073075 /nfs/dbraw/zinc/07/30/75/386073075.db2.gz FFORUNRBIPSCIP-LURJTMIESA-N 0 0 201.220 2.372 10 0 BEAERN Cn1cccc1C(=O)CN1C[C@@H]2CCCCC[C@@H]21 ZINC000366100295 386079037 /nfs/dbraw/zinc/07/90/37/386079037.db2.gz YEECOEKJVDVLDL-STQMWFEESA-N 0 0 246.354 2.472 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@H]1C[C@H]1C ZINC000189775692 386089302 /nfs/dbraw/zinc/08/93/02/386089302.db2.gz POUSPPORSKSCFY-ZJUUUORDSA-N 0 0 212.337 2.376 10 0 BEAERN O=Cc1nnc(-c2sccc2F)s1 ZINC000575573761 386165716 /nfs/dbraw/zinc/16/57/16/386165716.db2.gz ZZAZRNIDGCLQKA-UHFFFAOYSA-N 0 0 214.246 2.218 10 0 BEAERN Fc1c[nH]c(Br)cc1=S ZINC000307182386 386131545 /nfs/dbraw/zinc/13/15/45/386131545.db2.gz UWIAPWFCUOFLSQ-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN CSCCCCNc1cc(Cl)nc(N)n1 ZINC000124700741 386142536 /nfs/dbraw/zinc/14/25/36/386142536.db2.gz XUGSHKIKPRSZQV-UHFFFAOYSA-N 0 0 246.767 2.267 10 0 BEAERN Cc1ccncc1N[C@@H]1COC(C)(C)C1 ZINC000335359541 386203050 /nfs/dbraw/zinc/20/30/50/386203050.db2.gz RRYKNCFCYJTADK-JTQLQIEISA-N 0 0 206.289 2.369 10 0 BEAERN Cc1c(F)c(Br)ccc1[C@H](C)NN ZINC000575577379 386192996 /nfs/dbraw/zinc/19/29/96/386192996.db2.gz XBYMHDXJVKUTLQ-LURJTMIESA-N 0 0 247.111 2.421 10 0 BEAERN C[C@H]1C[C@]1(C)Nc1cc(Br)ncn1 ZINC000575587963 386309466 /nfs/dbraw/zinc/30/94/66/386309466.db2.gz ASBWNYLAJUVFGB-RCOVLWMOSA-N 0 0 242.120 2.450 10 0 BEAERN C[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC000133406944 386322363 /nfs/dbraw/zinc/32/23/63/386322363.db2.gz KSEKZKTZMRBKAN-NWDGAFQWSA-N 0 0 249.354 2.097 10 0 BEAERN CC1CC(c2nc(Br)no2)C1 ZINC000575597539 386386336 /nfs/dbraw/zinc/38/63/36/386386336.db2.gz APYKMTSCOREFCL-UHFFFAOYSA-N 0 0 217.066 2.346 10 0 BEAERN CSC1(C(=O)N[C@H](C)C(C)C)CC1 ZINC000188292591 386354196 /nfs/dbraw/zinc/35/41/96/386354196.db2.gz DSSCEKXXEWWPRL-MRVPVSSYSA-N 0 0 201.335 2.043 10 0 BEAERN C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C1)[C@H]1CCCO1 ZINC000408405469 386337695 /nfs/dbraw/zinc/33/76/95/386337695.db2.gz JOJIHTIEHBXRQD-NOOOWODRSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)CC1=CCCCC1 ZINC000399179389 386438312 /nfs/dbraw/zinc/43/83/12/386438312.db2.gz JJGARBBESFZUQL-AAEUAGOBSA-N 0 0 237.343 2.249 10 0 BEAERN CC(C)CC[C@H]([NH3+])C[C@@H](C)CC(=O)[O-] ZINC000521400536 386445712 /nfs/dbraw/zinc/44/57/12/386445712.db2.gz AEUGXLQMCCKHKC-ZJUUUORDSA-N 0 0 201.310 2.251 10 0 BEAERN CC(C)n1ccnc1CS[C@@H](C)[C@@H](C)O ZINC000266243415 386417774 /nfs/dbraw/zinc/41/77/74/386417774.db2.gz MUEKPJMPOXFYTK-ZJUUUORDSA-N 0 0 228.361 2.467 10 0 BEAERN COC(=O)c1[nH]c2cc(C)ccc2c1C=O ZINC000575602665 386431043 /nfs/dbraw/zinc/43/10/43/386431043.db2.gz RYUZAVOHSUMZRA-UHFFFAOYSA-N 0 0 217.224 2.075 10 0 BEAERN CC[S@](=N)(=O)c1ccc(Cl)cn1 ZINC000521399411 386431884 /nfs/dbraw/zinc/43/18/84/386431884.db2.gz NIDWUPXJXVTBPG-LBPRGKRZSA-N 0 0 204.682 2.161 10 0 BEAERN CN=[S@](C)(=O)c1ccccc1Cl ZINC000521399886 386433946 /nfs/dbraw/zinc/43/39/46/386433946.db2.gz YEJMQAYLSFFYMF-GFCCVEGCSA-N 0 0 203.694 2.427 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C1C(C)(C)C1(C)C ZINC000399195769 386452454 /nfs/dbraw/zinc/45/24/54/386452454.db2.gz LJTUTSPUIBPIPQ-VHSXEESVSA-N 0 0 239.359 2.040 10 0 BEAERN CCOC(=O)[C@@H]1CC(=O)c2cccc(C)c2C1 ZINC000521399786 386434431 /nfs/dbraw/zinc/43/44/31/386434431.db2.gz QQNVKPTUIKKOED-JTQLQIEISA-N 0 0 232.279 2.303 10 0 BEAERN CC(C)n1ccnc1CSC[C@@H](C)CO ZINC000266857739 386475163 /nfs/dbraw/zinc/47/51/63/386475163.db2.gz VHDPKGKDOCUDBW-JTQLQIEISA-N 0 0 228.361 2.326 10 0 BEAERN COC(=O)c1ccc2nc(C(F)F)n(C)c2c1 ZINC000299889412 386498032 /nfs/dbraw/zinc/49/80/32/386498032.db2.gz IYSMGZXVJJNSOC-UHFFFAOYSA-N 0 0 240.209 2.298 10 0 BEAERN CC(C)(C)OC(=O)c1noc2c1cccc2N ZINC000299889135 386498261 /nfs/dbraw/zinc/49/82/61/386498261.db2.gz DXORWYXKOJKPDP-UHFFFAOYSA-N 0 0 234.255 2.365 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1cccc(N)n1 ZINC000135415443 386511088 /nfs/dbraw/zinc/51/10/88/386511088.db2.gz BQRBECVGNIUHSG-NSHDSACASA-N 0 0 247.342 2.459 10 0 BEAERN CC1([C@@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F)CC1 ZINC000521401157 386454339 /nfs/dbraw/zinc/45/43/39/386454339.db2.gz GEEMPKQPMBVBLZ-BQBZGAKWSA-N 0 0 239.237 2.157 10 0 BEAERN CCc1cc(C#N)cc(OC(F)F)c1CO ZINC000575641749 386574779 /nfs/dbraw/zinc/57/47/79/386574779.db2.gz YAQJKCOUDWDLEU-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN CCOc1cc(C#N)c(CC)cc1C=O ZINC000575643283 386582269 /nfs/dbraw/zinc/58/22/69/386582269.db2.gz OYLGTCPSWKLIHW-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1ccc(N)cn1 ZINC000124344800 386588928 /nfs/dbraw/zinc/58/89/28/386588928.db2.gz FBFUHBWUPUVBAP-LBPRGKRZSA-N 0 0 247.342 2.459 10 0 BEAERN Cc1cc(N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575637682 386549188 /nfs/dbraw/zinc/54/91/88/386549188.db2.gz HXAWAIHDWMRIFG-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COc1c(C#N)cc(C(C)=O)cc1OC(F)F ZINC000575639492 386561253 /nfs/dbraw/zinc/56/12/53/386561253.db2.gz IKMGDCRVDUUQTJ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1cc(C)c(N)c(C(F)(F)F)c1 ZINC000575639425 386561382 /nfs/dbraw/zinc/56/13/82/386561382.db2.gz GONYKIFBLOGMMB-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COC(=O)c1cc(N)c(C(F)(F)F)c(OC)c1 ZINC000575640422 386567516 /nfs/dbraw/zinc/56/75/16/386567516.db2.gz MROMMIRNLLUMIE-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1cc(C=O)cc(C#N)c1OC(F)F ZINC000575640623 386571003 /nfs/dbraw/zinc/57/10/03/386571003.db2.gz JXBRNDDWWWDNOM-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN COC(=O)c1cc(N)c(C)cc1C(F)(F)F ZINC000575640719 386571260 /nfs/dbraw/zinc/57/12/60/386571260.db2.gz OFPXIMZTETYQRK-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COc1ccc(OC(F)F)c(C)c1C#N ZINC000575641086 386571708 /nfs/dbraw/zinc/57/17/08/386571708.db2.gz MXHBZLJXLWGDNC-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN Cc1c(C#N)cc(C=O)cc1OC(F)F ZINC000575641210 386573799 /nfs/dbraw/zinc/57/37/99/386573799.db2.gz OKOLTAKPVWTOLU-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN Fc1ccc(Br)c(=S)[nH]1 ZINC000307416988 386646469 /nfs/dbraw/zinc/64/64/69/386646469.db2.gz FRLXMDGMBTXLAE-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN CCOC(=O)Cc1ncccc1OC(F)(F)F ZINC000575340459 386685177 /nfs/dbraw/zinc/68/51/77/386685177.db2.gz LVWOULQJYLCGBD-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CC2(C1)CCCOC2 ZINC000335478023 386703001 /nfs/dbraw/zinc/70/30/01/386703001.db2.gz MCHYNDZCKBOTOY-NWDGAFQWSA-N 0 0 237.343 2.062 10 0 BEAERN CC(=O)N1CCC(C(=O)c2cccc(F)c2)CC1 ZINC000575357610 386732877 /nfs/dbraw/zinc/73/28/77/386732877.db2.gz TVEYNAAAGHLWED-UHFFFAOYSA-N 0 0 249.285 2.267 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccc(F)c(F)c1 ZINC000575358088 386733887 /nfs/dbraw/zinc/73/38/87/386733887.db2.gz JAFBCWGMUPEWRV-UHFFFAOYSA-N 0 0 242.221 2.489 10 0 BEAERN CC(=O)N1CCC(C(=O)c2ccccc2C)CC1 ZINC000575358749 386757987 /nfs/dbraw/zinc/75/79/87/386757987.db2.gz PXTIGJHCMXBTHS-UHFFFAOYSA-N 0 0 245.322 2.436 10 0 BEAERN CC(=O)OCC(=O)c1ccc(OC(F)F)cc1 ZINC000575360433 386760841 /nfs/dbraw/zinc/76/08/41/386760841.db2.gz DCJGOIRKKDSPHC-UHFFFAOYSA-N 0 0 244.193 2.034 10 0 BEAERN C[C@@H](COCc1ccccc1)NCc1cocn1 ZINC000192319904 386765208 /nfs/dbraw/zinc/76/52/08/386765208.db2.gz HEHHVMYTDBLZJG-LBPRGKRZSA-N 0 0 246.310 2.370 10 0 BEAERN CC[C@H](OC)c1noc([C@@H]2CCCOCC2)n1 ZINC000329665909 386773629 /nfs/dbraw/zinc/77/36/29/386773629.db2.gz KRYBAWSDCIYLMS-ZJUUUORDSA-N 0 0 240.303 2.451 10 0 BEAERN CCOC(=O)c1cnc(C)c(OC(F)(F)F)c1 ZINC000575375136 386800776 /nfs/dbraw/zinc/80/07/76/386800776.db2.gz QBMUCUNKFZPBAM-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN O=C1CN(Cc2ccccc2)c2ncccc2N1 ZINC000575451707 386805097 /nfs/dbraw/zinc/80/50/97/386805097.db2.gz JPNUEMZFWRCIHY-UHFFFAOYSA-N 0 0 239.278 2.040 10 0 BEAERN CNc1nn2cc(C(C)(C)C)nc2s1 ZINC000301078253 386815489 /nfs/dbraw/zinc/81/54/89/386815489.db2.gz IYSSRAOTUMTVCQ-UHFFFAOYSA-N 0 0 210.306 2.130 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)NCC)cn1 ZINC000301414165 386842790 /nfs/dbraw/zinc/84/27/90/386842790.db2.gz BHHJUWAGOYXBTR-PWSUYJOCSA-N 0 0 247.342 2.432 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1ncccc1C(=O)NC ZINC000301462174 386845139 /nfs/dbraw/zinc/84/51/39/386845139.db2.gz VAIGLAZHVXYOOB-KOLCDFICSA-N 0 0 233.315 2.042 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1(C)CCCC1 ZINC000324313504 386871458 /nfs/dbraw/zinc/87/14/58/386871458.db2.gz FPYSROKODLPJGH-SNVBAGLBSA-N 0 0 227.348 2.090 10 0 BEAERN O=C(NC1CCCC1)N1C[C@@H]2CCC[C@@H]21 ZINC000334834318 386874891 /nfs/dbraw/zinc/87/48/91/386874891.db2.gz MSOGYLFUVCKZDA-ONGXEEELSA-N 0 0 208.305 2.123 10 0 BEAERN Cc1cnc(N[C@@H]2CCCCC[C@@H]2CO)nc1 ZINC000301855663 386884397 /nfs/dbraw/zinc/88/43/97/386884397.db2.gz YTOHLBOJKWCLMC-VXGBXAGGSA-N 0 0 235.331 2.138 10 0 BEAERN Cc1cnc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc1 ZINC000301843687 386885464 /nfs/dbraw/zinc/88/54/64/386885464.db2.gz RQTKGFXAWTVMIW-UTUOFQBUSA-N 0 0 247.342 2.035 10 0 BEAERN CC[C@@H](CN[C@@H](C)c1ncc(C)o1)OC ZINC000336739634 386886878 /nfs/dbraw/zinc/88/68/78/386886878.db2.gz SPVNWLJSPBCAHE-UWVGGRQHSA-N 0 0 212.293 2.059 10 0 BEAERN CCc1cc(N[C@H](CO)c2ccco2)nc(C)n1 ZINC000302075027 386900929 /nfs/dbraw/zinc/90/09/29/386900929.db2.gz GQXKNJDGFDPUBC-LLVKDONJSA-N 0 0 247.298 2.086 10 0 BEAERN Cc1cc(CN(C)c2cc(C)c(C)nn2)no1 ZINC000302263277 386920192 /nfs/dbraw/zinc/92/01/92/386920192.db2.gz DTGBMQIDCKACAL-UHFFFAOYSA-N 0 0 232.287 2.026 10 0 BEAERN O=C(c1ccon1)N1CCC[C@H]1c1ccco1 ZINC000116211775 386929075 /nfs/dbraw/zinc/92/90/75/386929075.db2.gz IMUTTZRWHYPODA-JTQLQIEISA-N 0 0 232.239 2.245 10 0 BEAERN Cc1nc(CN2CCC[C@H]2c2ccco2)no1 ZINC000116290904 386930292 /nfs/dbraw/zinc/93/02/92/386930292.db2.gz BFFJEXZGACMLGZ-JTQLQIEISA-N 0 0 233.271 2.308 10 0 BEAERN Cc1cnc(N[C@@H]2CCC[C@H](O)C2)s1 ZINC000302822693 386938426 /nfs/dbraw/zinc/93/84/26/386938426.db2.gz FEWFTQZXGZUTEK-BDAKNGLRSA-N 0 0 212.318 2.167 10 0 BEAERN Cc1cnc(N[C@@H]2CCC[C@@H](O)C2)s1 ZINC000302822696 386938549 /nfs/dbraw/zinc/93/85/49/386938549.db2.gz FEWFTQZXGZUTEK-RKDXNWHRSA-N 0 0 212.318 2.167 10 0 BEAERN Cc1cnc(N[C@H](C)[C@@H]2CCCO2)s1 ZINC000302848041 386941280 /nfs/dbraw/zinc/94/12/80/386941280.db2.gz OPQYLUPEXXPQHR-BDAKNGLRSA-N 0 0 212.318 2.431 10 0 BEAERN CCCC[C@H](C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324324401 386957807 /nfs/dbraw/zinc/95/78/07/386957807.db2.gz IUCFSNUBWRPYSE-WDEREUQCSA-N 0 0 229.364 2.336 10 0 BEAERN CCOCCOc1ccc(F)cc1F ZINC000575191202 386980732 /nfs/dbraw/zinc/98/07/32/386980732.db2.gz OLYZWOLFIDVIET-UHFFFAOYSA-N 0 0 201.192 2.447 10 0 BEAERN CCCn1cc(CNCc2nccs2)cn1 ZINC000116914344 386997802 /nfs/dbraw/zinc/99/78/02/386997802.db2.gz ZIEFBYGOEMZKCC-UHFFFAOYSA-N 0 0 236.344 2.039 10 0 BEAERN CC[C@H]1CCCN(C(=O)[C@H](C)COC)CC1 ZINC000117160332 387008895 /nfs/dbraw/zinc/00/88/95/387008895.db2.gz ROPXBXTUZSINRB-NEPJUHHUSA-N 0 0 227.348 2.308 10 0 BEAERN Nc1ccc(Br)cc1N1CCC1 ZINC000307641574 387008872 /nfs/dbraw/zinc/00/88/72/387008872.db2.gz JJZARVQIYMPSJX-UHFFFAOYSA-N 0 0 227.105 2.241 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1ccc(F)cc1F ZINC000399481940 387005899 /nfs/dbraw/zinc/00/58/99/387005899.db2.gz QKLYFCAUZWBQMY-JOYOIKCWSA-N 0 0 241.281 2.310 10 0 BEAERN CC(C)(C)CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398694027 386951445 /nfs/dbraw/zinc/95/14/45/386951445.db2.gz DDKRDPCUDJGEOW-QJPTWQEYSA-N 0 0 239.359 2.042 10 0 BEAERN O=C1OCC[C@H]1N1CC=C(c2cccs2)CC1 ZINC000117894462 387031296 /nfs/dbraw/zinc/03/12/96/387031296.db2.gz KSRYMTZONDYDPI-LLVKDONJSA-N 0 0 249.335 2.153 10 0 BEAERN COC(=O)c1c(OC)cnc2ccc(F)cc21 ZINC000575419765 387031469 /nfs/dbraw/zinc/03/14/69/387031469.db2.gz MEHCESXARMXUNO-UHFFFAOYSA-N 0 0 235.214 2.169 10 0 BEAERN Nc1cc(Cl)cnc1-c1cncs1 ZINC000575461797 387032040 /nfs/dbraw/zinc/03/20/40/387032040.db2.gz OYUWPUUMCWGZRX-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cc1ncsc1-c1cn[nH]c(=S)c1 ZINC000575577822 387036186 /nfs/dbraw/zinc/03/61/86/387036186.db2.gz OAAZPZUVPIIKJR-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CCOc1cc(OC)cc(O)c1OC(F)F ZINC000575657270 387043628 /nfs/dbraw/zinc/04/36/28/387043628.db2.gz RPNMXIRIABDIPI-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1cc(O)c(C=O)c(OC(F)F)c1 ZINC000575657283 387043658 /nfs/dbraw/zinc/04/36/58/387043658.db2.gz RVVQLQXIKHXKNZ-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCc1cc(OC)c(CO)c(OC(F)F)c1 ZINC000575657787 387044448 /nfs/dbraw/zinc/04/44/48/387044448.db2.gz PEYYFCGYPDYRKZ-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Cc1c(=S)[nH]cnc1-c1cncs1 ZINC000575464097 387044526 /nfs/dbraw/zinc/04/45/26/387044526.db2.gz AUHFDEPOEMQLPO-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CCOc1c(OC)ccc(CO)c1OC(F)F ZINC000575658115 387046047 /nfs/dbraw/zinc/04/60/47/387046047.db2.gz PVAXIZPZJKICGE-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1cc(OC(F)F)c(OC)cc1CO ZINC000575658985 387049932 /nfs/dbraw/zinc/04/99/32/387049932.db2.gz YFVUQEBKOFIKGA-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN COc1ccc(F)c(OC(F)F)c1C=O ZINC000575660059 387052657 /nfs/dbraw/zinc/05/26/57/387052657.db2.gz OSBHOJAZINGLLG-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(F)c(C=O)c(OC(F)F)c1 ZINC000575660045 387052732 /nfs/dbraw/zinc/05/27/32/387052732.db2.gz OFYCEEJYCHFAEN-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C[C@H]1CC[C@@H](n2cnc3c(c2=O)CCCC3)C1 ZINC000334968536 387053100 /nfs/dbraw/zinc/05/31/00/387053100.db2.gz RRRSYTYJPMTLEW-WDEREUQCSA-N 0 0 232.327 2.483 10 0 BEAERN C[C@H](C(=O)N1CCC[C@@H](O)[C@H]1C)C(C)(C)C ZINC000399077089 387053225 /nfs/dbraw/zinc/05/32/25/387053225.db2.gz QSABNEYIYXJSTR-GMTAPVOTSA-N 0 0 227.348 2.040 10 0 BEAERN C[C@]1(c2nc([C@@H]3CC34CC4)no2)CCCOC1 ZINC000334971735 387057138 /nfs/dbraw/zinc/05/71/38/387057138.db2.gz XXMGAYALNFREBD-CABZTGNLSA-N 0 0 234.299 2.405 10 0 BEAERN C[C@@H]1C[C@]1(C)c1onc(N)c1Br ZINC000575583588 387058647 /nfs/dbraw/zinc/05/86/47/387058647.db2.gz OHSYOMVIURQSKR-VHWMUFPASA-N 0 0 231.093 2.147 10 0 BEAERN CC[C@H](NN)c1ccsc1Br ZINC000575582694 387059160 /nfs/dbraw/zinc/05/91/60/387059160.db2.gz RUSFVHFPQQJRND-LURJTMIESA-N 0 0 235.150 2.425 10 0 BEAERN CN(C[C@H]1CCCCO1)c1ccnc(C2CC2)n1 ZINC000110260358 387060765 /nfs/dbraw/zinc/06/07/65/387060765.db2.gz APMCVIJBOJCRIN-GFCCVEGCSA-N 0 0 247.342 2.359 10 0 BEAERN C[C@@H]1CN[C@@H](c2cncc(Cl)c2)S1 ZINC000575576247 387021674 /nfs/dbraw/zinc/02/16/74/387021674.db2.gz LNFWOJRBDXOZPB-HZGVNTEJSA-N 0 0 214.721 2.459 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)C1CC1 ZINC000117631686 387024691 /nfs/dbraw/zinc/02/46/91/387024691.db2.gz DZELJLMHAPPMJE-TVQRCGJNSA-N 0 0 231.295 2.172 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCC1CC1 ZINC000117750211 387028177 /nfs/dbraw/zinc/02/81/77/387028177.db2.gz YSTXENNBJAQDDC-ZANVPECISA-N 0 0 231.295 2.077 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000324406233 387076293 /nfs/dbraw/zinc/07/62/93/387076293.db2.gz IXLZEVSCZNPBAW-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1ncc(-c2cnc[nH]c2=S)s1 ZINC000575467291 387079462 /nfs/dbraw/zinc/07/94/62/387079462.db2.gz QZYDQKDAYVDGCN-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC(=O)c1cc([O-])cc(OC(F)F)c1C=O ZINC000575661882 387104295 /nfs/dbraw/zinc/10/42/95/387104295.db2.gz SUTOXGVOFWFZGH-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN F[C@H]1CCCN(c2nsnc2Cl)C1 ZINC000575471192 387106375 /nfs/dbraw/zinc/10/63/75/387106375.db2.gz CFMSYPHMHVNMRC-YFKPBYRVSA-N 0 0 221.688 2.130 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)Nc1ccncc1 ZINC000112713206 387109666 /nfs/dbraw/zinc/10/96/66/387109666.db2.gz XHELBFVLBQHWJS-VIFPVBQESA-N 0 0 219.288 2.392 10 0 BEAERN COc1cc(C=O)c(C(C)=O)cc1OC(F)F ZINC000575661628 387113114 /nfs/dbraw/zinc/11/31/14/387113114.db2.gz OIGZUWCQJWMJIG-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1CC ZINC000333984365 387128153 /nfs/dbraw/zinc/12/81/53/387128153.db2.gz FMIKZJVJALVMGY-USZNOCQGSA-N 0 0 240.347 2.042 10 0 BEAERN CCc1c(C)nc2snc(CO)c2c1C ZINC000536955953 387129779 /nfs/dbraw/zinc/12/97/79/387129779.db2.gz VQVOSFQOOKKAKT-UHFFFAOYSA-N 0 0 222.313 2.363 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)CCC1CC1 ZINC000119801558 387146376 /nfs/dbraw/zinc/14/63/76/387146376.db2.gz ZGFQWUDZUIXKLG-JTQLQIEISA-N 0 0 212.337 2.472 10 0 BEAERN Cc1c(CO)ccc(F)c1OC(F)F ZINC000575662012 387150707 /nfs/dbraw/zinc/15/07/07/387150707.db2.gz ZJHNMZSAFIYWMM-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCn1nccc1N=S(=O)(CC)CC ZINC000536951538 387163492 /nfs/dbraw/zinc/16/34/92/387163492.db2.gz SHQGQPQEMZWNCG-UHFFFAOYSA-N 0 0 215.322 2.042 10 0 BEAERN Cc1ccccc1-c1cc(=O)n2c(n1)CCC2 ZINC000536951226 387163616 /nfs/dbraw/zinc/16/36/16/387163616.db2.gz OCJYNKULJJOYOA-UHFFFAOYSA-N 0 0 226.279 2.165 10 0 BEAERN CC(F)(F)c1noc(CC2(O)CCCC2)n1 ZINC000536953126 387164535 /nfs/dbraw/zinc/16/45/35/387164535.db2.gz FVFDITYQJXICTH-UHFFFAOYSA-N 0 0 232.230 2.029 10 0 BEAERN Cc1ccccc1[C@@H](C[NH3+])C1(C(=O)[O-])CCC1 ZINC000536952185 387165403 /nfs/dbraw/zinc/16/54/03/387165403.db2.gz BFSOAOTZTOXCEA-GFCCVEGCSA-N 0 0 233.311 2.292 10 0 BEAERN [NH3+]C[C@H](c1cccc(O)c1)C1(C(=O)[O-])CCCC1 ZINC000536953010 387166072 /nfs/dbraw/zinc/16/60/72/387166072.db2.gz GNESECIEJCRHNF-GFCCVEGCSA-N 0 0 249.310 2.080 10 0 BEAERN CCCn1nccc1[C@@H]1CNC(=O)C12CCCC2 ZINC000536953385 387166552 /nfs/dbraw/zinc/16/65/52/387166552.db2.gz JHEISGABXKQJAY-NSHDSACASA-N 0 0 247.342 2.067 10 0 BEAERN Brc1scnc1CNC1CC1 ZINC000575482204 387184060 /nfs/dbraw/zinc/18/40/60/387184060.db2.gz FDWUVJYZDWNZTF-UHFFFAOYSA-N 0 0 233.134 2.158 10 0 BEAERN CCOCCC1(C(=O)N[C@H]2C[C@H]2C)CCC1 ZINC000120605636 387191769 /nfs/dbraw/zinc/19/17/69/387191769.db2.gz IZECPOUBZFKVRA-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN COC(=O)c1cc2ccncc2cc1F ZINC000575441114 387137581 /nfs/dbraw/zinc/13/75/81/387137581.db2.gz ZXSBTXVOYWWNMI-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN CCOC(=O)c1cc(Cl)cc2c1NC(=O)C2 ZINC000575441770 387138764 /nfs/dbraw/zinc/13/87/64/387138764.db2.gz AFMQRTKJFTVBJX-UHFFFAOYSA-N 0 0 239.658 2.011 10 0 BEAERN Cc1c[nH]c(=S)n1C1(C(F)F)CC1 ZINC000575585299 387141058 /nfs/dbraw/zinc/14/10/58/387141058.db2.gz KUCXRJMPSVCJSZ-UHFFFAOYSA-N 0 0 204.245 2.234 10 0 BEAERN Cn1cc(Br)c(C(=O)C(C)(C)C)n1 ZINC000575483506 387204429 /nfs/dbraw/zinc/20/44/29/387204429.db2.gz QIHZWMINEAODEF-UHFFFAOYSA-N 0 0 245.120 2.411 10 0 BEAERN CSc1ccc(-n2nc(C)c(C)c2C)nn1 ZINC000064542090 387211858 /nfs/dbraw/zinc/21/18/58/387211858.db2.gz MXSXSQQWKYWTSL-UHFFFAOYSA-N 0 0 234.328 2.309 10 0 BEAERN CCO[C@@H]1C[C@@H](Nc2cn(C)nc2C)C12CCC2 ZINC000187779543 387212059 /nfs/dbraw/zinc/21/20/59/387212059.db2.gz KRFIYDMUWPGDIQ-CHWSQXEVSA-N 0 0 249.358 2.488 10 0 BEAERN CCO[C@H]1C[C@@H](Nc2cn(C)nc2C)C12CCC2 ZINC000187779563 387212638 /nfs/dbraw/zinc/21/26/38/387212638.db2.gz KRFIYDMUWPGDIQ-OLZOCXBDSA-N 0 0 249.358 2.488 10 0 BEAERN C[C@H](N(C)C(=O)[C@H]1CC[C@@H](C)O1)C1(C)CC1 ZINC000120378308 387234628 /nfs/dbraw/zinc/23/46/28/387234628.db2.gz HXAWTWBTJQNNEI-OUAUKWLOSA-N 0 0 225.332 2.201 10 0 BEAERN CCC[C@](C)(O)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000230173801 387239780 /nfs/dbraw/zinc/23/97/80/387239780.db2.gz BKPHFOGCVJVLAQ-GVXVVHGQSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCC1(O)CCCCC1 ZINC000230173474 387239851 /nfs/dbraw/zinc/23/98/51/387239851.db2.gz JVXNGIPUDMNUJX-NEPJUHHUSA-N 0 0 239.359 2.234 10 0 BEAERN CC(C)CN(C(=O)[C@H]1CCCO[C@@H]1C)C1CC1 ZINC000188064213 387248582 /nfs/dbraw/zinc/24/85/82/387248582.db2.gz PKNPOSLTNPAXKP-YPMHNXCESA-N 0 0 239.359 2.449 10 0 BEAERN CC(C)C1(CNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000120488119 387249709 /nfs/dbraw/zinc/24/97/09/387249709.db2.gz KBBSSIHPLITVJN-GHMZBOCLSA-N 0 0 225.332 2.106 10 0 BEAERN COc1cc(OC(F)F)c(O)cc1C(C)=O ZINC000575662581 387194555 /nfs/dbraw/zinc/19/45/55/387194555.db2.gz BLKUMGXBFWYDKC-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN Cc1csc([C@](C)(N)C(F)(F)F)n1 ZINC000575589640 387198198 /nfs/dbraw/zinc/19/81/98/387198198.db2.gz NIGBUFXQPFISCX-LURJTMIESA-N 0 0 210.224 2.188 10 0 BEAERN COc1cc(C)c(OC(F)F)c(C=O)c1 ZINC000575665615 387316115 /nfs/dbraw/zinc/31/61/15/387316115.db2.gz RLEAWWUTLAPESY-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COCC1=CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000188165731 387254207 /nfs/dbraw/zinc/25/42/07/387254207.db2.gz YIYJPLXRAPBLFE-NSHDSACASA-N 0 0 240.347 2.019 10 0 BEAERN Cc1c(C=O)cc(O)cc1OC(F)F ZINC000575663038 387269416 /nfs/dbraw/zinc/26/94/16/387269416.db2.gz QCMOAZDHUSDEFL-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN CC(C)c1nccn1Cc1nnc(C2CC2)n1C ZINC000120797401 387270467 /nfs/dbraw/zinc/27/04/67/387270467.db2.gz MRZYFEZGXBMPDO-UHFFFAOYSA-N 0 0 245.330 2.061 10 0 BEAERN Cc1cc(C=O)c(O)cc1OC(F)F ZINC000575663122 387270664 /nfs/dbraw/zinc/27/06/64/387270664.db2.gz QHOPDWWGUNEIIN-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(C)c(OC(F)F)cc1O ZINC000575664538 387291305 /nfs/dbraw/zinc/29/13/05/387291305.db2.gz IANXHWWRIODCAW-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CC(C)OC(=O)N[C@H](C)CC(F)(F)F ZINC000232663768 387293298 /nfs/dbraw/zinc/29/32/98/387293298.db2.gz UGIJWQPOSNWGFV-ZCFIWIBFSA-N 0 0 213.199 2.462 10 0 BEAERN CO[C@H](C)c1nc(C)c(Br)c(F)n1 ZINC000575600104 387357955 /nfs/dbraw/zinc/35/79/55/387357955.db2.gz JTNFLGIYEJJUER-RXMQYKEDSA-N 0 0 249.083 2.394 10 0 BEAERN O[C@H](c1cccnc1Br)C(F)F ZINC000575601404 387358894 /nfs/dbraw/zinc/35/88/94/387358894.db2.gz FASSTAJQGFUMDT-RXMQYKEDSA-N 0 0 238.031 2.143 10 0 BEAERN COCc1cc(C=O)cc(Cl)c1OC ZINC000575602997 387366454 /nfs/dbraw/zinc/36/64/54/387366454.db2.gz XYOMUBMOIWFRBP-UHFFFAOYSA-N 0 0 214.648 2.308 10 0 BEAERN Cc1nn(CC(F)(F)F)cc1C[NH2+]C1CC1 ZINC000575602078 387368685 /nfs/dbraw/zinc/36/86/85/387368685.db2.gz HVMSEMMYFYMHJB-UHFFFAOYSA-N 0 0 233.237 2.006 10 0 BEAERN O=[S@@]1CCC[C@H](C(F)(F)F)CC1 ZINC000575602756 387372833 /nfs/dbraw/zinc/37/28/33/387372833.db2.gz WHTFFSJJDVLKSH-PWCHPLFNSA-N 0 0 200.225 2.098 10 0 BEAERN O=[S@]1CCC[C@H](C(F)(F)F)CC1 ZINC000575602755 387373245 /nfs/dbraw/zinc/37/32/45/387373245.db2.gz WHTFFSJJDVLKSH-QTTZVWFDSA-N 0 0 200.225 2.098 10 0 BEAERN O=Cc1cc(Br)c(F)c(C=O)c1 ZINC000575689184 387375377 /nfs/dbraw/zinc/37/53/77/387375377.db2.gz SQNLGVQDQSMLBV-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN CC(=O)c1cc(O)cc(O)c1Br ZINC000575686128 387375533 /nfs/dbraw/zinc/37/55/33/387375533.db2.gz PATONBJIOZEWNI-UHFFFAOYSA-N 0 0 231.045 2.063 10 0 BEAERN COc1ccc(O)c(C)c1OC(F)F ZINC000575666704 387320001 /nfs/dbraw/zinc/32/00/01/387320001.db2.gz YYQDSSZGCOHNDD-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CC1(C(=O)NCCc2ccsc2)CC1 ZINC000121257327 387320863 /nfs/dbraw/zinc/32/08/63/387320863.db2.gz DGCFKSKRWLSQBQ-UHFFFAOYSA-N 0 0 209.314 2.207 10 0 BEAERN CC(C)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000121261154 387320879 /nfs/dbraw/zinc/32/08/79/387320879.db2.gz HRWBHRYABTZAGQ-NSHDSACASA-N 0 0 239.340 2.304 10 0 BEAERN CCOc1cc(C(F)F)c(CO)cc1O ZINC000575668961 387323713 /nfs/dbraw/zinc/32/37/13/387323713.db2.gz WBAJXPWBYMDIIY-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN NNc1cc(Br)c(F)cc1F ZINC000228181679 387328287 /nfs/dbraw/zinc/32/82/87/387328287.db2.gz QQVCSINTXBKYQE-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN Cc1cc(C=O)c(CO)c(C(F)F)c1 ZINC000575669492 387328403 /nfs/dbraw/zinc/32/84/03/387328403.db2.gz YBEGBWWSLGCKQM-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN Cc1cc(CO)cc(C(F)F)c1C=O ZINC000575669481 387328544 /nfs/dbraw/zinc/32/85/44/387328544.db2.gz XLGVSEBIDYPYOW-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CC(=O)c1cc(C(F)F)cc(O)c1C=O ZINC000575669809 387330635 /nfs/dbraw/zinc/33/06/35/387330635.db2.gz OWLZJHCMTOXLBD-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN CCOc1c(CO)cc(O)cc1C(F)F ZINC000575669113 387332858 /nfs/dbraw/zinc/33/28/58/387332858.db2.gz YSQXCFHLZJMIAU-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN COc1cc(C)c(C(F)F)cc1CO ZINC000575671212 387332992 /nfs/dbraw/zinc/33/29/92/387332992.db2.gz PRRVSUGJKFXPNT-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(O)cc(OC)c1C(F)(F)F ZINC000575671947 387340761 /nfs/dbraw/zinc/34/07/61/387340761.db2.gz RXTJHNIFOCKYMQ-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN CC1CC(O)(c2cccnc2Br)C1 ZINC000575596412 387342952 /nfs/dbraw/zinc/34/29/52/387342952.db2.gz GUAOITMCVDHGMG-UHFFFAOYSA-N 0 0 242.116 2.462 10 0 BEAERN C[C@@H]1[C@@H](C)CN1c1nsnc1Cl ZINC000575599489 387348157 /nfs/dbraw/zinc/34/81/57/387348157.db2.gz LOYPGIROJCRKAW-CRCLSJGQSA-N 0 0 203.698 2.036 10 0 BEAERN C[C@@H]1CN(c2cc(Br)ncn2)[C@@H]1C ZINC000575599234 387351001 /nfs/dbraw/zinc/35/10/01/387351001.db2.gz CWWJKVVDKUYJJM-RNFRBKRXSA-N 0 0 242.120 2.084 10 0 BEAERN CC(=O)c1cc(N)c(C(F)(F)F)cc1O ZINC000575718651 387426184 /nfs/dbraw/zinc/42/61/84/387426184.db2.gz HSJHQCPGNNBNIP-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)cc(N)c1O ZINC000575719309 387427660 /nfs/dbraw/zinc/42/76/60/387427660.db2.gz PPOLOYFAIXIVFQ-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CCOC(=O)c1c(C)cc(CC)cc1N ZINC000575725192 387461439 /nfs/dbraw/zinc/46/14/39/387461439.db2.gz UYQKGXCYLPTPOB-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN COC(=O)c1c(F)ccc(O)c1C(F)(F)F ZINC000575714681 387428340 /nfs/dbraw/zinc/42/83/40/387428340.db2.gz VBGKVTVRTVADFV-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COc1c(N)ccc(C(F)(F)F)c1C(C)=O ZINC000575716726 387433315 /nfs/dbraw/zinc/43/33/15/387433315.db2.gz KQHLWFVXAHWYJX-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CC(=O)c1c(F)cc(N)cc1OC(F)F ZINC000575716769 387433808 /nfs/dbraw/zinc/43/38/08/387433808.db2.gz WGTDSZDSGCRICS-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN Nc1cc(O)c(Br)c(Cl)c1 ZINC000575719911 387439827 /nfs/dbraw/zinc/43/98/27/387439827.db2.gz OVCLBWZUSUYELR-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CCOc1cc(N)c(Br)c(N)c1 ZINC000575719799 387440199 /nfs/dbraw/zinc/44/01/99/387440199.db2.gz LBRGTRYBRDJXRU-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN Nc1c(O)ccc(Br)c1Cl ZINC000575720181 387441763 /nfs/dbraw/zinc/44/17/63/387441763.db2.gz SDFYQMCRZVAVAK-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CCOc1cc(OC)c(N)c(OCC)c1 ZINC000575721692 387444048 /nfs/dbraw/zinc/44/40/48/387444048.db2.gz REBQENCTJXQUDV-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN C[C@]1(C[C@@H]2CSCC2=O)CC1(F)F ZINC000575522680 387444204 /nfs/dbraw/zinc/44/42/04/387444204.db2.gz BUDLPNRPSREPDT-SVRRBLITSA-N 0 0 206.257 2.354 10 0 BEAERN Nc1cc(N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575722172 387444403 /nfs/dbraw/zinc/44/44/03/387444403.db2.gz DBUXFAVAHKUWBG-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN Nc1cc(N)c(OC(F)F)c(C(F)F)c1 ZINC000575722229 387444410 /nfs/dbraw/zinc/44/44/10/387444410.db2.gz FERCNAVVDHJBSZ-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN NC(=O)NCc1cc2cscc2s1 ZINC000575522499 387445235 /nfs/dbraw/zinc/44/52/35/387445235.db2.gz FELWCTTYSFVOFX-UHFFFAOYSA-N 0 0 212.299 2.131 10 0 BEAERN CCOc1cc(N)c(Br)c(OC)c1 ZINC000575722353 387445373 /nfs/dbraw/zinc/44/53/73/387445373.db2.gz IHILPCPLDHYATN-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOC(=O)c1c(F)cc(N)cc1CC ZINC000575723573 387445907 /nfs/dbraw/zinc/44/59/07/387445907.db2.gz CHTSZQSYIONATQ-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)Cc1c(N)cc(CC)cc1F ZINC000575724195 387447399 /nfs/dbraw/zinc/44/73/99/387447399.db2.gz YTGIFHJBVNMPSZ-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)c1cc(CC)c(N)cc1F ZINC000575724145 387447940 /nfs/dbraw/zinc/44/79/40/387447940.db2.gz WFGMPBRLBVEIAN-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1c(N)cc(CC)cc1OCC ZINC000575723908 387448120 /nfs/dbraw/zinc/44/81/20/387448120.db2.gz IOPRBMDFVSBNMH-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)Cc1cc(OCC)cc(N)c1C ZINC000575723733 387448203 /nfs/dbraw/zinc/44/82/03/387448203.db2.gz DVZSNPPQEPIHEK-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN C[C@H]1CC[C@@H]1NC1N=NC(=S)S1 ZINC000306277533 387456550 /nfs/dbraw/zinc/45/65/50/387456550.db2.gz NSMVXMRZFVIFKG-WHFBIAKZSA-N 0 0 201.320 2.037 10 0 BEAERN COc1ccc(C(F)(F)F)c(N)c1O ZINC000575727362 387462383 /nfs/dbraw/zinc/46/23/83/387462383.db2.gz DBJDYOYKRUZVMV-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@@H]2CC[C@H]2C1 ZINC000575524485 387458937 /nfs/dbraw/zinc/45/89/37/387458937.db2.gz CFTOFHCOMBRTEC-STQMWFEESA-N 0 0 230.311 2.238 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000122011212 387459438 /nfs/dbraw/zinc/45/94/38/387459438.db2.gz PWBQYFWCGCVRKD-MNOVXSKESA-N 0 0 241.306 2.324 10 0 BEAERN C[C@H](O)CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000121619044 387388486 /nfs/dbraw/zinc/38/84/86/387388486.db2.gz TZUSXVYMHYILSS-UHTWSYAYSA-N 0 0 239.359 2.090 10 0 BEAERN CC1(C)CC(C(=O)N2CCC[C@H]2CCCO)C1 ZINC000354523427 387389022 /nfs/dbraw/zinc/38/90/22/387389022.db2.gz UNLFNBFXHHHHGF-LBPRGKRZSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000121637854 387389705 /nfs/dbraw/zinc/38/97/05/387389705.db2.gz BWZXYFCJBNHYER-NTZNESFSSA-N 0 0 233.311 2.431 10 0 BEAERN CCOc1c(C)ccc(CC)c1C(N)=O ZINC000575695280 387395362 /nfs/dbraw/zinc/39/53/62/387395362.db2.gz HNSIAWSAYZBJOO-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CC1(C)CC(C(=O)N[C@H]2CCCC[C@@H]2CO)C1 ZINC000336572980 387397808 /nfs/dbraw/zinc/39/78/08/387397808.db2.gz ZGXOUVJTMWURRM-PWSUYJOCSA-N 0 0 239.359 2.090 10 0 BEAERN CCOc1cc(C(N)=O)c(C)cc1CC ZINC000575697118 387398442 /nfs/dbraw/zinc/39/84/42/387398442.db2.gz URVNOMOPRCWCBF-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CCCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121742789 387402865 /nfs/dbraw/zinc/40/28/65/387402865.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 0 0 208.309 2.132 10 0 BEAERN COc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121727865 387403616 /nfs/dbraw/zinc/40/36/16/387403616.db2.gz PJYXHUJTTNFYKX-SKDRFNHKSA-N 0 0 235.283 2.201 10 0 BEAERN CCc1c(C=O)cc(C(F)(F)F)cc1C(N)=O ZINC000575701784 387405044 /nfs/dbraw/zinc/40/50/44/387405044.db2.gz CTJGFYUIUWPGJA-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN O=Cc1cc(C(F)(F)F)cc(O)c1F ZINC000575704927 387409532 /nfs/dbraw/zinc/40/95/32/387409532.db2.gz RNTJRFSXKNEVOA-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN COc1c(F)ccc(CO)c1SC ZINC000575707499 387411040 /nfs/dbraw/zinc/41/10/40/387411040.db2.gz CUWWOVQBKSEFEC-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN O=Cc1cc(OC(F)(F)F)c(CO)cc1F ZINC000575705722 387411203 /nfs/dbraw/zinc/41/12/03/387411203.db2.gz LSDBSAVDFCQNRX-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN Cc1cc(OC(F)(F)F)cc(C(N)=O)c1F ZINC000575708432 387412100 /nfs/dbraw/zinc/41/21/00/387412100.db2.gz DISUFDXTJXRABG-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COc1ccc(F)c(CO)c1C(F)(F)F ZINC000575708303 387412596 /nfs/dbraw/zinc/41/25/96/387412596.db2.gz CJQDLWGMSFAMNM-UHFFFAOYSA-N 0 0 224.153 2.345 10 0 BEAERN COC(=O)c1cc(OC)c(F)cc1Cl ZINC000575712123 387415536 /nfs/dbraw/zinc/41/55/36/387415536.db2.gz CDEWOOUNPAQJFW-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN Cc1cc(C)cc(OCC[C@H]2CNC(=O)O2)c1 ZINC000584627002 387503594 /nfs/dbraw/zinc/50/35/94/387503594.db2.gz AUGMTOSSFBYBFV-NSHDSACASA-N 0 0 235.283 2.181 10 0 BEAERN COc1cc2nn(C)cc2cc1Br ZINC000584626226 387504040 /nfs/dbraw/zinc/50/40/40/387504040.db2.gz JHAGYXYBHGOMJH-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN CCCCCCOc1nccn2cnnc12 ZINC000584640876 387507059 /nfs/dbraw/zinc/50/70/59/387507059.db2.gz HFRBMZDRMXEJFT-UHFFFAOYSA-N 0 0 220.276 2.083 10 0 BEAERN CO[C@H](C)C1CCN(c2ncc(N)cc2C)CC1 ZINC000584645436 387507775 /nfs/dbraw/zinc/50/77/75/387507775.db2.gz LKULNCVUDOOYFF-LLVKDONJSA-N 0 0 249.358 2.224 10 0 BEAERN CC(C)(C)OCCS[C@@H]1CCCCNC1=O ZINC000108414222 387532011 /nfs/dbraw/zinc/53/20/11/387532011.db2.gz HYHGLEQOXAOYNU-SNVBAGLBSA-N 0 0 245.388 2.203 10 0 BEAERN Cc1ccc(Br)c2nc(C=O)cn21 ZINC000575526613 387535376 /nfs/dbraw/zinc/53/53/76/387535376.db2.gz WQWIYZOTYNNZOA-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN CCN(CC)C(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000355510718 387544551 /nfs/dbraw/zinc/54/45/51/387544551.db2.gz MHZJNAQHZNIAOG-QWRGUYRKSA-N 0 0 242.363 2.241 10 0 BEAERN COc1c(C)cc(CO)cc1OC(F)(F)F ZINC000575728638 387465632 /nfs/dbraw/zinc/46/56/32/387465632.db2.gz GAFBUGZOBRVRGO-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN Cc1cc(O)c(N)cc1OC(F)(F)F ZINC000575728524 387466446 /nfs/dbraw/zinc/46/64/46/387466446.db2.gz QXVGDAYSOABQAF-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1cc(CO)c(C)c(OC(F)(F)F)c1 ZINC000575730037 387468320 /nfs/dbraw/zinc/46/83/20/387468320.db2.gz RCBAAHBYFQCGQO-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1c(C)c(CO)ccc1OC(F)(F)F ZINC000575729234 387469166 /nfs/dbraw/zinc/46/91/66/387469166.db2.gz KDMNXMUOFWIZLN-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(C)cc(CO)c1OC(F)(F)F ZINC000575728960 387469293 /nfs/dbraw/zinc/46/92/93/387469293.db2.gz IATHMBMLNLVROX-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN Cc1cc(N)c(O)c(OC(F)(F)F)c1 ZINC000575729189 387470290 /nfs/dbraw/zinc/47/02/90/387470290.db2.gz WOBRWUFRJFZERG-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN CC[C@H](CO)Nc1nccc2sccc21 ZINC000035687771 387479871 /nfs/dbraw/zinc/47/98/71/387479871.db2.gz YFPZYOVOLLFCPN-MRVPVSSYSA-N 0 0 222.313 2.479 10 0 BEAERN CN(C)c1ccc(F)c(Cl)c1C=O ZINC000575539452 387583549 /nfs/dbraw/zinc/58/35/49/387583549.db2.gz XBJMXKNNUVWOJJ-UHFFFAOYSA-N 0 0 201.628 2.358 10 0 BEAERN Cc1nn(C[C@@H]2C[C@@H]2C)c(N)c1Br ZINC000575539653 387583820 /nfs/dbraw/zinc/58/38/20/387583820.db2.gz YYANMGAOLQNPDI-FSPLSTOPSA-N 0 0 244.136 2.192 10 0 BEAERN C[C@H]1CCN1C(=O)C1=CC(=S)CS1 ZINC000575536922 387584862 /nfs/dbraw/zinc/58/48/62/387584862.db2.gz YOXNEPYNJCPNNV-LURJTMIESA-N 0 0 213.327 2.271 10 0 BEAERN C[C@@H]1C[C@H]1CNc1cnn(C)c1Br ZINC000575540968 387590450 /nfs/dbraw/zinc/59/04/50/387590450.db2.gz HVAJSMURPORWDM-RQJHMYQMSA-N 0 0 244.136 2.251 10 0 BEAERN C[C@@H](c1cscn1)n1cc[nH]c1=S ZINC000575542723 387592616 /nfs/dbraw/zinc/59/26/16/387592616.db2.gz WNSHGCJAJNQEMC-LURJTMIESA-N 0 0 211.315 2.238 10 0 BEAERN CCC[C@H](C)C(=O)N(C)C[C@H]1CCCO1 ZINC000122809228 387605937 /nfs/dbraw/zinc/60/59/37/387605937.db2.gz KIWUVTIIXZVGIZ-WDEREUQCSA-N 0 0 213.321 2.060 10 0 BEAERN Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000122929484 387619490 /nfs/dbraw/zinc/61/94/90/387619490.db2.gz UBLLJFMVMICSFP-JQWIXIFHSA-N 0 0 237.299 2.114 10 0 BEAERN CC(C)CC1(CNC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000124575994 387624132 /nfs/dbraw/zinc/62/41/32/387624132.db2.gz YJXIJVQUJJQEML-NWDGAFQWSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H](CC1CCCC1)C(=O)NCC1(C)COC1 ZINC000114277159 387626786 /nfs/dbraw/zinc/62/67/86/387626786.db2.gz YWHGSNKCUWVDLO-NSHDSACASA-N 0 0 239.359 2.356 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](O)CC[C@H]1C ZINC000422039600 387545029 /nfs/dbraw/zinc/54/50/29/387545029.db2.gz RTTZNNBXKRZXFO-IJLUTSLNSA-N 0 0 241.375 2.431 10 0 BEAERN Cc1cncc(NCc2nc(C)ccc2O)c1 ZINC000119635827 387554769 /nfs/dbraw/zinc/55/47/69/387554769.db2.gz XRPVRSRHNLROJN-UHFFFAOYSA-N 0 0 229.283 2.411 10 0 BEAERN O=C(C=C1CCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000119740573 387555150 /nfs/dbraw/zinc/55/51/50/387555150.db2.gz BZOPMIGIJUXRBW-UHFFFAOYSA-N 0 0 245.326 2.226 10 0 BEAERN COC(=O)CCCCCNC(=O)CCC(C)C ZINC000035153377 387555716 /nfs/dbraw/zinc/55/57/16/387555716.db2.gz YLXXDMDSNSKXHX-UHFFFAOYSA-N 0 0 243.347 2.272 10 0 BEAERN CC(C)=CCN[C@H](C)c1nnc2n1CCCC2 ZINC000120142507 387562090 /nfs/dbraw/zinc/56/20/90/387562090.db2.gz GLDGBAWNKXJKOC-LLVKDONJSA-N 0 0 234.347 2.231 10 0 BEAERN CC[C@H](CC1CCCC1)C(=O)N1CC(CO)C1 ZINC000122644703 387571739 /nfs/dbraw/zinc/57/17/39/387571739.db2.gz NADNAIIRTUXLEC-CYBMUJFWSA-N 0 0 239.359 2.044 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125131573 387646755 /nfs/dbraw/zinc/64/67/55/387646755.db2.gz QXUNIBBVPRWYDH-SNVBAGLBSA-N 0 0 235.331 2.162 10 0 BEAERN CSCCCCNC(=O)Cc1ccoc1 ZINC000125380927 387654990 /nfs/dbraw/zinc/65/49/90/387654990.db2.gz BTOLBYJXWWFVNM-UHFFFAOYSA-N 0 0 227.329 2.082 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1cn[nH]c1 ZINC000125446517 387656341 /nfs/dbraw/zinc/65/63/41/387656341.db2.gz WAFCVWYTKWAUAJ-NSHDSACASA-N 0 0 221.304 2.205 10 0 BEAERN CCCCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123167253 387659665 /nfs/dbraw/zinc/65/96/65/387659665.db2.gz XXIQKLWTCYNQHL-CYBMUJFWSA-N 0 0 248.326 2.252 10 0 BEAERN CCc1cccc(CC(=O)Nc2cnccn2)c1 ZINC000126856807 387697136 /nfs/dbraw/zinc/69/71/36/387697136.db2.gz BFDXEFZGORREMH-UHFFFAOYSA-N 0 0 241.294 2.220 10 0 BEAERN Cc1cc([C@]2([NH3+])CCS[C@H]2C)sn1 ZINC000575560190 387701334 /nfs/dbraw/zinc/70/13/34/387701334.db2.gz JDENQBIJCXTZSA-CBAPKCEASA-N 0 0 214.359 2.131 10 0 BEAERN Cc1cc([C@@]2([NH3+])CCS[C@H]2C)sn1 ZINC000575560193 387701857 /nfs/dbraw/zinc/70/18/57/387701857.db2.gz JDENQBIJCXTZSA-IONNQARKSA-N 0 0 214.359 2.131 10 0 BEAERN CC(C)=CC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000127216085 387709870 /nfs/dbraw/zinc/70/98/70/387709870.db2.gz MHHDXBSPTYXTSG-VHDGCEQUSA-N 0 0 227.307 2.407 10 0 BEAERN Cc1c(Cl)ncnc1N[C@H](C)CF ZINC000575573114 387755458 /nfs/dbraw/zinc/75/54/58/387755458.db2.gz ZAYNAIWBJIWEDN-RXMQYKEDSA-N 0 0 203.648 2.208 10 0 BEAERN Cc1cc(-c2nnc(C=O)s2)cs1 ZINC000575568397 387728379 /nfs/dbraw/zinc/72/83/79/387728379.db2.gz DNHBEHAYDXSAPI-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN C[C@@H](CF)Nc1cc(Br)ncn1 ZINC000575571523 387741353 /nfs/dbraw/zinc/74/13/53/387741353.db2.gz PNYCMSYWQBZEML-YFKPBYRVSA-N 0 0 234.072 2.009 10 0 BEAERN CCCCCC(=O)N1CCCC[C@H](CO)C1 ZINC000378198697 387771641 /nfs/dbraw/zinc/77/16/41/387771641.db2.gz CHXVJJWLLOJMHE-LBPRGKRZSA-N 0 0 227.348 2.188 10 0 BEAERN CC(C)(C)CC(=O)N1CCCC[C@@H](CO)C1 ZINC000378198958 387771901 /nfs/dbraw/zinc/77/19/01/387771901.db2.gz BVTOKWGEXXRHNO-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN CCCCCC(=O)N1CCCC[C@@H](CO)C1 ZINC000378198696 387772241 /nfs/dbraw/zinc/77/22/41/387772241.db2.gz CHXVJJWLLOJMHE-GFCCVEGCSA-N 0 0 227.348 2.188 10 0 BEAERN Cc1nnc(CN(C)CC2CCCCC2)n1C ZINC000047541648 387775989 /nfs/dbraw/zinc/77/59/89/387775989.db2.gz MIAKNNCGMYSISO-UHFFFAOYSA-N 0 0 236.363 2.136 10 0 BEAERN O=C(c1cnsn1)N1CCC[C@H]1c1ccco1 ZINC000116039179 387758492 /nfs/dbraw/zinc/75/84/92/387758492.db2.gz YETODQYQIZKPAY-VIFPVBQESA-N 0 0 249.295 2.108 10 0 BEAERN Nc1cc2c(cc1C(F)(F)F)CCN2 ZINC000575624926 387821944 /nfs/dbraw/zinc/82/19/44/387821944.db2.gz UFTVVHSMCGZXBI-UHFFFAOYSA-N 0 0 202.179 2.256 10 0 BEAERN CCOc1cc(OC(F)F)cc(C=O)c1C#N ZINC000575638643 387832136 /nfs/dbraw/zinc/83/21/36/387832136.db2.gz KJKKOEBXYRHDIC-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1ccc([N+](=O)[O-])c(CO)c1C(F)(F)F ZINC000575637833 387832760 /nfs/dbraw/zinc/83/27/60/387832760.db2.gz ILEWZTQTTLGBLG-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(C#N)c(OC(F)F)cc1C=O ZINC000575637862 387832800 /nfs/dbraw/zinc/83/28/00/387832800.db2.gz AIWLOMTVFMTUTC-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1cc([N+](=O)[O-])cc(N)c1OC(F)(F)F ZINC000575638107 387832996 /nfs/dbraw/zinc/83/29/96/387832996.db2.gz OHPWGOATMKZQBQ-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1N ZINC000575638225 387833617 /nfs/dbraw/zinc/83/36/17/387833617.db2.gz QQCGPJAYNRYHSS-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1cc(C#N)cc(OC(F)F)c1C=O ZINC000575638300 387833825 /nfs/dbraw/zinc/83/38/25/387833825.db2.gz GCKZTUDLZJFXKP-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1cc(C)cc(C(F)(F)F)c1N ZINC000575638857 387833832 /nfs/dbraw/zinc/83/38/32/387833832.db2.gz DSRVRSWFJSXUMN-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN Cc1ccc(N)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575638231 387834361 /nfs/dbraw/zinc/83/43/61/387834361.db2.gz QTZQGTSJLZYFAT-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COc1c(F)ccc(OC(F)F)c1C#N ZINC000575638834 387834375 /nfs/dbraw/zinc/83/43/75/387834375.db2.gz APXKXHGWOOTHAJ-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1c(C#N)ccc(C(C)=O)c1OC(F)F ZINC000575638938 387834424 /nfs/dbraw/zinc/83/44/24/387834424.db2.gz BSTDEWIMYVAYHB-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(OC(F)F)cc(CO)c1C#N ZINC000575638989 387834578 /nfs/dbraw/zinc/83/45/78/387834578.db2.gz MISKORUNGQMYOH-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN N#Cc1cc(C=O)cc(OC(F)F)c1F ZINC000575639186 387835523 /nfs/dbraw/zinc/83/55/23/387835523.db2.gz FCBXCHAPYYHXAR-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1N ZINC000575638421 387835921 /nfs/dbraw/zinc/83/59/21/387835921.db2.gz SVTTYHWSVXCLPU-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1ccc(C#N)c(CO)c1OC(F)F ZINC000575638490 387835957 /nfs/dbraw/zinc/83/59/57/387835957.db2.gz IMEDBUAUDIVOBL-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN N#Cc1ccc(OC(F)F)c(F)c1C=O ZINC000575639215 387836138 /nfs/dbraw/zinc/83/61/38/387836138.db2.gz FSABKCYURILAHG-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCOc1ccc(C#N)c(C(F)F)c1CO ZINC000575639604 387836939 /nfs/dbraw/zinc/83/69/39/387836939.db2.gz AXBFQTTZAPBSLA-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1c(C#N)ccc(OC(F)F)c1F ZINC000575640160 387838143 /nfs/dbraw/zinc/83/81/43/387838143.db2.gz LHXFDXLNPFMJEU-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1ccc(C=O)c(OC(F)F)c1C#N ZINC000575640313 387838172 /nfs/dbraw/zinc/83/81/72/387838172.db2.gz XZOIRIXYCJRCIZ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(C#N)c(C(F)F)c(CO)c1 ZINC000575640277 387838245 /nfs/dbraw/zinc/83/82/45/387838245.db2.gz FRPQDOJZWANPEB-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(CO)cc(C#N)c1C(F)F ZINC000575639992 387838284 /nfs/dbraw/zinc/83/82/84/387838284.db2.gz DFQDCYWGFGKEQM-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1c(C=O)ccc(OC(F)F)c1C#N ZINC000575640142 387838344 /nfs/dbraw/zinc/83/83/44/387838344.db2.gz VWJAOBCJOLNZAP-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(C)c(OC(F)F)cc1C#N ZINC000575639982 387838348 /nfs/dbraw/zinc/83/83/48/387838348.db2.gz FCBNEWYEJJCBET-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCc1cc(C(N)=O)cc(C#N)c1C(F)F ZINC000575640007 387838400 /nfs/dbraw/zinc/83/84/00/387838400.db2.gz DKYQVYUEZKVGPB-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCOc1ccc(CO)c(C#N)c1OC(F)F ZINC000575640414 387839357 /nfs/dbraw/zinc/83/93/57/387839357.db2.gz YORFGMGITOKOMJ-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN CCOc1ccc(OC(F)F)c(CO)c1C#N ZINC000575640495 387839916 /nfs/dbraw/zinc/83/99/16/387839916.db2.gz ZEUZUVFDBHHLHS-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1c(C)c(N)ccc1OC(F)(F)F ZINC000575641605 387842499 /nfs/dbraw/zinc/84/24/99/387842499.db2.gz XANJSOBWQXTQGI-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCc1cc(CO)cc(OC(F)F)c1C#N ZINC000575641721 387842763 /nfs/dbraw/zinc/84/27/63/387842763.db2.gz XWGUAJZAWAJAOC-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)c(N)cc1OC ZINC000575641583 387842849 /nfs/dbraw/zinc/84/28/49/387842849.db2.gz WRIKVKANEMFUFC-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1cc(C=O)c(OC(F)F)cc1C#N ZINC000575641466 387844921 /nfs/dbraw/zinc/84/49/21/387844921.db2.gz PAZRFFVQSZYJOL-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN COc1c(C)cc(OC(F)F)cc1C#N ZINC000575642090 387845955 /nfs/dbraw/zinc/84/59/55/387845955.db2.gz WMWYOUTXHZEHEK-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CC(C)CNC(=O)C[C@@H](C)c1cccnc1 ZINC000062618156 387853341 /nfs/dbraw/zinc/85/33/41/387853341.db2.gz BZHCAXWIFAXHMB-LLVKDONJSA-N 0 0 220.316 2.347 10 0 BEAERN CCC(=O)N1CCn2c(cc3ccccc32)C1 ZINC000062616430 387853532 /nfs/dbraw/zinc/85/35/32/387853532.db2.gz RHEHOYHWTMKJRV-UHFFFAOYSA-N 0 0 228.295 2.394 10 0 BEAERN C[C@H](CC(=O)N1CCCC1)c1cccnc1 ZINC000062618426 387853652 /nfs/dbraw/zinc/85/36/52/387853652.db2.gz CGTJYHVVGPTWOY-LLVKDONJSA-N 0 0 218.300 2.198 10 0 BEAERN COc1c(C=O)c(C#N)ccc1C(F)(F)F ZINC000575645452 387874550 /nfs/dbraw/zinc/87/45/50/387874550.db2.gz BZRWNWLBHCTSIE-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCOc1cc(C#N)cc(CC)c1C=O ZINC000575643419 387865063 /nfs/dbraw/zinc/86/50/63/387865063.db2.gz QGWSSMUXDXSPNG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1c(F)c(CO)ccc1C(F)(F)F ZINC000575644544 387872189 /nfs/dbraw/zinc/87/21/89/387872189.db2.gz BDHRJPKINWVKBU-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1cc([N+](=O)[O-])cc(OC)c1C#N ZINC000575650096 387889772 /nfs/dbraw/zinc/88/97/72/387889772.db2.gz VZUODGREFKEWFL-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN COc1cc(C#N)cc(C(F)(F)F)c1C=O ZINC000575649940 387890086 /nfs/dbraw/zinc/89/00/86/387890086.db2.gz UMWUCEWNUSHAQO-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C=O ZINC000575650624 387890090 /nfs/dbraw/zinc/89/00/90/387890090.db2.gz RPLNIRGVCFESDQ-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575650594 387890198 /nfs/dbraw/zinc/89/01/98/387890198.db2.gz RHAOENKGJXONLH-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN N#Cc1cc(F)c(CO)cc1OC(F)(F)F ZINC000575648066 387891271 /nfs/dbraw/zinc/89/12/71/387891271.db2.gz PIRKBAIJVBKDJA-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1c(C#N)cc(C(F)(F)F)cc1C(N)=O ZINC000575648420 387892992 /nfs/dbraw/zinc/89/29/92/387892992.db2.gz OEURHQUYYXEDQK-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1c(F)ccc(CO)c1OC(F)F ZINC000575653209 387894218 /nfs/dbraw/zinc/89/42/18/387894218.db2.gz ATZPSUVCFOLHRU-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN Cc1cc(OC(F)F)cc(C)c1C(N)=O ZINC000575653051 387894439 /nfs/dbraw/zinc/89/44/39/387894439.db2.gz SCWZDMNONVRXNV-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN COc1cc(O)c(OC(F)F)c(OC)c1 ZINC000575653035 387894645 /nfs/dbraw/zinc/89/46/45/387894645.db2.gz RLTQAYPNIVHJJI-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN COc1cc(OC(F)F)c(OC)cc1O ZINC000575653080 387894947 /nfs/dbraw/zinc/89/49/47/387894947.db2.gz UAKBOMQGRYKDTG-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN CCc1c(O)c(C=O)ccc1OC(F)F ZINC000575653369 387895915 /nfs/dbraw/zinc/89/59/15/387895915.db2.gz FXDPWUAWHYWUGM-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN N#Cc1cc(C(F)F)cc(F)c1CO ZINC000575644646 387876311 /nfs/dbraw/zinc/87/63/11/387876311.db2.gz ZVAYXVTUSLQHGI-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCc1cc(OC)c([N+](=O)[O-])cc1C#N ZINC000575645940 387876341 /nfs/dbraw/zinc/87/63/41/387876341.db2.gz GGVVHCJEKYVSKT-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1c(C#N)ccc(OC)c1C(C)=O ZINC000575644587 387876742 /nfs/dbraw/zinc/87/67/42/387876742.db2.gz HZMGEEHVZMZEGA-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1ccc(C#N)c(C(F)(F)F)c1CO ZINC000575645158 387879420 /nfs/dbraw/zinc/87/94/20/387879420.db2.gz AMAQSROZJIRGGP-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN Cc1cc(C#N)c(CO)c(C(F)(F)F)c1 ZINC000575646424 387880567 /nfs/dbraw/zinc/88/05/67/387880567.db2.gz JKUYZKFPYHZWCH-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN N#Cc1c(F)cc(C(F)(F)F)cc1CO ZINC000575646637 387881834 /nfs/dbraw/zinc/88/18/34/387881834.db2.gz JFTZDGYBDMYAQD-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1c(OC)ccc(C#N)c1C(C)=O ZINC000575646772 387882142 /nfs/dbraw/zinc/88/21/42/387882142.db2.gz PLFHNSRPQQBAJO-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)cc(C)c1C(C)=O ZINC000575646621 387882560 /nfs/dbraw/zinc/88/25/60/387882560.db2.gz IZFRQAIBEKPCEG-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1cc(C#N)c(OCC)c([N+](=O)[O-])c1 ZINC000575646579 387882570 /nfs/dbraw/zinc/88/25/70/387882570.db2.gz BAFBJZRMPXFHNU-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CCOc1cc([N+](=O)[O-])c(C(C)=O)cc1C#N ZINC000575647724 387883088 /nfs/dbraw/zinc/88/30/88/387883088.db2.gz JIJUGTKOYLTRMT-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN N#Cc1c(F)cc(C=O)cc1OC(F)(F)F ZINC000575646894 387883450 /nfs/dbraw/zinc/88/34/50/387883450.db2.gz JSZLIVUMELQXHZ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN Nc1ccc(Br)c2nsnc21 ZINC000064871457 387884253 /nfs/dbraw/zinc/88/42/53/387884253.db2.gz GGMBPLFZHIBCJQ-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN CCc1c(C#N)ccc(C(N)=O)c1C(F)(F)F ZINC000575650959 387885433 /nfs/dbraw/zinc/88/54/33/387885433.db2.gz ZGUNCNBAYUXUJA-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1cc(OC)c(C#N)cc1[N+](=O)[O-] ZINC000575648995 387886286 /nfs/dbraw/zinc/88/62/86/387886286.db2.gz SIEDPZHCWWUIFG-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1cc(OC)c(C(C)=O)cc1C#N ZINC000575649130 387886407 /nfs/dbraw/zinc/88/64/07/387886407.db2.gz ZUCARJJNVBGRIP-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)c([N+](=O)[O-])cc1C(C)=O ZINC000575651118 387887022 /nfs/dbraw/zinc/88/70/22/387887022.db2.gz WSWNDURQLFOQED-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCOc1c(O)ccc(C#N)c1OCC ZINC000575651307 387887760 /nfs/dbraw/zinc/88/77/60/387887760.db2.gz UMCHVOBCXWKDTG-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CCOc1c(C)c(C(C)=O)ccc1C#N ZINC000575649762 387887889 /nfs/dbraw/zinc/88/78/89/387887889.db2.gz SOQKQBZPTBPYJC-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN N#Cc1cc(C=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575649814 387887943 /nfs/dbraw/zinc/88/79/43/387887943.db2.gz PTYHEUVVDYBSHR-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCOc1cc(F)cc(C#N)c1OCC ZINC000575651436 387898778 /nfs/dbraw/zinc/89/87/78/387898778.db2.gz YOSZOZYOZKTEDZ-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN N#Cc1cc(F)c(CO)cc1C(F)(F)F ZINC000575650308 387889193 /nfs/dbraw/zinc/88/91/93/387889193.db2.gz WYBGYGKYJKHTCA-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1ccc([N+](=O)[O-])c(C#N)c1C(C)=O ZINC000575650205 387889384 /nfs/dbraw/zinc/88/93/84/387889384.db2.gz WZTUUDLDLQZZIF-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN OCc1cc(C(F)F)c(O)cc1OC(F)F ZINC000575651775 387899303 /nfs/dbraw/zinc/89/93/03/387899303.db2.gz CKIADASZQLIKDK-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(F)F ZINC000194895919 387900264 /nfs/dbraw/zinc/90/02/64/387900264.db2.gz SYAXTCQHGNDOOS-VIFPVBQESA-N 0 0 241.237 2.200 10 0 BEAERN Cc1cc(C)c(OC(F)F)c(CO)c1 ZINC000575652372 387900700 /nfs/dbraw/zinc/90/07/00/387900700.db2.gz FBZHKVXOZZQFRQ-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN CC(C)=CCN1CCO[C@H](c2nccs2)C1 ZINC000195521532 387921293 /nfs/dbraw/zinc/92/12/93/387921293.db2.gz ZHZZCAMGQICVGY-NSHDSACASA-N 0 0 238.356 2.483 10 0 BEAERN Cc1cc(C(N)=S)c2ccccc2n1 ZINC000082464077 177831661 /nfs/dbraw/zinc/83/16/61/177831661.db2.gz QFUOZZUMPPLADG-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CC12CCCCC2 ZINC000245623773 387967446 /nfs/dbraw/zinc/96/74/46/387967446.db2.gz SCLZJAGAHLOEJS-VWYCJHECSA-N 0 0 222.332 2.417 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H](C)C2)O1 ZINC000246040135 388004112 /nfs/dbraw/zinc/00/41/12/388004112.db2.gz OUIOIGKSWRGNSM-WYUUTHIRSA-N 0 0 225.332 2.249 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1N ZINC000020522407 177798390 /nfs/dbraw/zinc/79/83/90/177798390.db2.gz VVGWBADJAPPIKH-JTQLQIEISA-N 0 0 220.316 2.352 10 0 BEAERN C[C@H](c1cccnc1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000246131340 388012270 /nfs/dbraw/zinc/01/22/70/388012270.db2.gz ZPAXXTJWMPICOX-NQBHXWOUSA-N 0 0 248.326 2.169 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)C1 ZINC000246125144 388012345 /nfs/dbraw/zinc/01/23/45/388012345.db2.gz YZDNFGUHENDDQP-AGIUHOORSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@H](Cc1cccs1)NC(=O)N[C@H]1C[C@H]1C ZINC000246176028 388015192 /nfs/dbraw/zinc/01/51/92/388015192.db2.gz DTDQTTCZLAAPOB-KKZNHRDASA-N 0 0 238.356 2.387 10 0 BEAERN C[C@H](Cc1cccs1)NC(=O)N[C@H]1C[C@@H]1C ZINC000246176029 388015527 /nfs/dbraw/zinc/01/55/27/388015527.db2.gz DTDQTTCZLAAPOB-NGZCFLSTSA-N 0 0 238.356 2.387 10 0 BEAERN CC(C)c1nsc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000084232784 388074949 /nfs/dbraw/zinc/07/49/49/388074949.db2.gz PYJCQGDKCOLQKE-IUCAKERBSA-N 0 0 241.360 2.234 10 0 BEAERN CCc1nnc(CN2CCCC[C@@H]2CC)n1C ZINC000195007302 388082392 /nfs/dbraw/zinc/08/23/92/388082392.db2.gz JLRVNHMXTVZVAJ-NSHDSACASA-N 0 0 236.363 2.142 10 0 BEAERN COC[C@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195032694 388083756 /nfs/dbraw/zinc/08/37/56/388083756.db2.gz WDGMDEHWFYSQHF-JTQLQIEISA-N 0 0 237.299 2.225 10 0 BEAERN O=C(N1CCC(=O)c2ccccc21)C(F)(F)F ZINC000071324050 388087158 /nfs/dbraw/zinc/08/71/58/388087158.db2.gz CYGCLFHAEQVDIA-UHFFFAOYSA-N 0 0 243.184 2.168 10 0 BEAERN CCCCN(CC)Cc1nnc(C)n1CC ZINC000195063482 388087247 /nfs/dbraw/zinc/08/72/47/388087247.db2.gz LMQPYRPBXZHHPH-UHFFFAOYSA-N 0 0 224.352 2.228 10 0 BEAERN CCCCN(CC)Cc1nnc(C2CC2)n1C ZINC000195063416 388087775 /nfs/dbraw/zinc/08/77/75/388087775.db2.gz IKWLIPUAZHIINZ-UHFFFAOYSA-N 0 0 236.363 2.315 10 0 BEAERN Cc1cc(N[C@@H](C)C(C)(C)C)n2ncnc2n1 ZINC000085705332 388095621 /nfs/dbraw/zinc/09/56/21/388095621.db2.gz FLCJOJLHAJFBAQ-VIFPVBQESA-N 0 0 233.319 2.279 10 0 BEAERN CC[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000195073456 388096863 /nfs/dbraw/zinc/09/68/63/388096863.db2.gz RDNZQSDSCWTTJF-LLVKDONJSA-N 0 0 248.374 2.315 10 0 BEAERN CC[C@@H]1CCCN(Cc2nnc(C)n2CC)C1 ZINC000195073561 388096971 /nfs/dbraw/zinc/09/69/71/388096971.db2.gz XGTVEBQBZGWLBD-GFCCVEGCSA-N 0 0 236.363 2.228 10 0 BEAERN CC1(C)OCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000306667594 388112015 /nfs/dbraw/zinc/11/20/15/388112015.db2.gz FCNWEAHWTKASDS-LBPRGKRZSA-N 0 0 249.310 2.480 10 0 BEAERN Cc1ccncc1N[C@@H](C)[C@@H]1CCOC1 ZINC000162945971 388254952 /nfs/dbraw/zinc/25/49/52/388254952.db2.gz VMXLNZHIMYDRKN-WDEREUQCSA-N 0 0 206.289 2.227 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2C3)ccc1N ZINC000049715775 177770260 /nfs/dbraw/zinc/77/02/60/177770260.db2.gz DONAEAUPTZJYNC-PWSUYJOCSA-N 0 0 230.311 2.202 10 0 BEAERN CSc1ccccc1-c1cnc(=O)[nH]c1 ZINC000065344646 388259214 /nfs/dbraw/zinc/25/92/14/388259214.db2.gz QMFYBAHMBVXKHD-UHFFFAOYSA-N 0 0 218.281 2.159 10 0 BEAERN Cc1cnc(N2CCS[C@@H](C)C2)s1 ZINC000302879934 388345934 /nfs/dbraw/zinc/34/59/34/388345934.db2.gz HZEQACPJEIGGCP-QMMMGPOBSA-N 0 0 214.359 2.393 10 0 BEAERN Cc1cnc(NCC[C@@H]2CCCO2)s1 ZINC000302862108 388346536 /nfs/dbraw/zinc/34/65/36/388346536.db2.gz VVVHXAHQFZZNOG-VIFPVBQESA-N 0 0 212.318 2.433 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cccnc1F ZINC000233390349 388346627 /nfs/dbraw/zinc/34/66/27/388346627.db2.gz CMUFMCWDBDNDKT-WCBMZHEXSA-N 0 0 222.263 2.139 10 0 BEAERN CCOC[C@H](NC(=O)OC(C)C)C(C)C ZINC000233753532 388348642 /nfs/dbraw/zinc/34/86/42/388348642.db2.gz YWLQUPONQSREJY-JTQLQIEISA-N 0 0 217.309 2.182 10 0 BEAERN COC[C@H](C)Nc1cc2c[nH]nc2cc1C ZINC000276898075 388351404 /nfs/dbraw/zinc/35/14/04/388351404.db2.gz MXLOMJCIIRNPNP-VIFPVBQESA-N 0 0 219.288 2.318 10 0 BEAERN Fc1cnccc1NCC=C(Cl)Cl ZINC000575521192 388356900 /nfs/dbraw/zinc/35/69/00/388356900.db2.gz YDJQQFNLBPJTAU-UHFFFAOYSA-N 0 0 221.062 2.374 10 0 BEAERN CCn1ccnc1CS[C@H]1CCO[C@H]1C ZINC000163362331 388360535 /nfs/dbraw/zinc/36/05/35/388360535.db2.gz LCLGFOMACGDBHN-UWVGGRQHSA-N 0 0 226.345 2.314 10 0 BEAERN CCn1ccnc1CS[C@H]1CCO[C@@H]1C ZINC000163362108 388360540 /nfs/dbraw/zinc/36/05/40/388360540.db2.gz LCLGFOMACGDBHN-ZJUUUORDSA-N 0 0 226.345 2.314 10 0 BEAERN Cc1onc(-c2ccc(N(C)C)cc2)c1CO ZINC000057520358 388361429 /nfs/dbraw/zinc/36/14/29/388361429.db2.gz BWZKCDLIONAJDQ-UHFFFAOYSA-N 0 0 232.283 2.208 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(O)ccc1Cl ZINC000235294267 388367094 /nfs/dbraw/zinc/36/70/94/388367094.db2.gz PNNKIFOLXMKSNA-LDWIPMOCSA-N 0 0 225.675 2.184 10 0 BEAERN CCCCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175745075 388439744 /nfs/dbraw/zinc/43/97/44/388439744.db2.gz NQGJACSOKWJGHD-JTQLQIEISA-N 0 0 243.347 2.365 10 0 BEAERN CC[C@H](C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175754071 388440331 /nfs/dbraw/zinc/44/03/31/388440331.db2.gz ATPVPDWDDPDSPC-VHSXEESVSA-N 0 0 243.347 2.221 10 0 BEAERN Cc1cnc(C)c(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000378671014 388481189 /nfs/dbraw/zinc/48/11/89/388481189.db2.gz KAJNPLFXAIAOLH-QJPTWQEYSA-N 0 0 217.316 2.116 10 0 BEAERN FC(F)(F)n1ccc(Br)n1 ZINC000575601572 388474624 /nfs/dbraw/zinc/47/46/24/388474624.db2.gz IVJXBORLXJBYLF-UHFFFAOYSA-N 0 0 214.972 2.122 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc(C2CC2)ns1 ZINC000134572913 388477110 /nfs/dbraw/zinc/47/71/10/388477110.db2.gz UIEBGICSWMWFDM-XPUUQOCRSA-N 0 0 225.317 2.005 10 0 BEAERN CSCCC(=O)Nc1ccc(C)cc1O ZINC000040413255 388414985 /nfs/dbraw/zinc/41/49/85/388414985.db2.gz AFRVGNIFBIIZLF-UHFFFAOYSA-N 0 0 225.313 2.392 10 0 BEAERN Cc1ccc([C@H](C)NCc2cn[nH]n2)cc1C ZINC000296279420 388420921 /nfs/dbraw/zinc/42/09/21/388420921.db2.gz KVOKGNGEFWCLDR-NSHDSACASA-N 0 0 230.315 2.272 10 0 BEAERN CC(C)CCNc1ncnc(Cl)c1N ZINC000040572065 388421431 /nfs/dbraw/zinc/42/14/31/388421431.db2.gz JCHRMLBVCCANPV-UHFFFAOYSA-N 0 0 214.700 2.170 10 0 BEAERN Cc1csc2[nH]c(Cl)nc(=O)c12 ZINC000066055043 388547126 /nfs/dbraw/zinc/54/71/26/388547126.db2.gz CXTGAZPHAAPHJP-UHFFFAOYSA-N 0 0 200.650 2.359 10 0 BEAERN CC(C)C1(NCc2nc(C3CC3)no2)CC1 ZINC000339514320 388485203 /nfs/dbraw/zinc/48/52/03/388485203.db2.gz JQXNLCVWRLGNOS-UHFFFAOYSA-N 0 0 221.304 2.225 10 0 BEAERN CC(C)C1(N[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000339519869 388485357 /nfs/dbraw/zinc/48/53/57/388485357.db2.gz VBLJHSSCSSUOEY-SNVBAGLBSA-N 0 0 227.348 2.495 10 0 BEAERN CC[C@@H](C)CN(CC)C(=O)[C@@H](C)COC ZINC000177983873 388494550 /nfs/dbraw/zinc/49/45/50/388494550.db2.gz JFTKLYNVRFDKFF-MNOVXSKESA-N 0 0 215.337 2.164 10 0 BEAERN Cc1ccncc1CNCC(F)(F)F ZINC000135428341 388495274 /nfs/dbraw/zinc/49/52/74/388495274.db2.gz BLCPCPFEJOAPGQ-UHFFFAOYSA-N 0 0 204.195 2.042 10 0 BEAERN CC[C@@H](NC(=O)C1CC(C)C1)c1ncc[nH]1 ZINC000548077855 388508348 /nfs/dbraw/zinc/50/83/48/388508348.db2.gz GZUKXKRHRKKXPC-UDNWOFFPSA-N 0 0 221.304 2.023 10 0 BEAERN Cc1noc([C@H](C)NC2(C(C)C)CC2)n1 ZINC000378863037 388527402 /nfs/dbraw/zinc/52/74/02/388527402.db2.gz UTOYWBYAKFLXOJ-QMMMGPOBSA-N 0 0 209.293 2.217 10 0 BEAERN Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000001619651 388586712 /nfs/dbraw/zinc/58/67/12/388586712.db2.gz NUOSUXKIGQANEH-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN O=C1N[C@@H]2CCCC[C@H]2c2ccccc21 ZINC000001595650 388586929 /nfs/dbraw/zinc/58/69/29/388586929.db2.gz CQQBPJQEIHYWQX-CMPLNLGQSA-N 0 0 201.269 2.456 10 0 in-vivo BEAERN Cc1ccc([C@@]23CCC(=O)N2CCCO3)cc1 ZINC000003636660 388588245 /nfs/dbraw/zinc/58/82/45/388588245.db2.gz WLZOVDLKCXHTKP-AWEZNQCLSA-N 0 0 231.295 2.191 10 0 BEAERN Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000302198567 388588444 /nfs/dbraw/zinc/58/84/44/388588444.db2.gz YHGQGBMBPOOIFT-HTQZYQBOSA-N 0 0 212.318 2.065 10 0 BEAERN CSCc1nc(N)cc(C(C)(C)C)n1 ZINC000054497160 388594246 /nfs/dbraw/zinc/59/42/46/388594246.db2.gz MGMWEVWBTNXZLY-UHFFFAOYSA-N 0 0 211.334 2.219 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000246102061 388617437 /nfs/dbraw/zinc/61/74/37/388617437.db2.gz WLZYLBJQBROVQX-HBNTYKKESA-N 0 0 213.321 2.058 10 0 BEAERN O=C(NCC1CCCCC1)c1ccc(O)cc1O ZINC000220049530 388600445 /nfs/dbraw/zinc/60/04/45/388600445.db2.gz QZUYZCIVMUASFM-UHFFFAOYSA-N 0 0 249.310 2.408 10 0 BEAERN C[C@@H]1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1C ZINC000245897492 388609267 /nfs/dbraw/zinc/60/92/67/388609267.db2.gz KQLQUULYXQSPJM-GHMZBOCLSA-N 0 0 248.374 2.170 10 0 BEAERN CCC[C@@H]1SCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000246014471 388613228 /nfs/dbraw/zinc/61/32/28/388613228.db2.gz LPBQXDRAPZSGBT-MXWKQRLJSA-N 0 0 243.372 2.256 10 0 BEAERN CCOC(=O)c1nccc(C(F)(F)F)c1OC ZINC000575397468 388615492 /nfs/dbraw/zinc/61/54/92/388615492.db2.gz RCZNJPUHALFLMG-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)C(C)(C)O ZINC000358575226 388554458 /nfs/dbraw/zinc/55/44/58/388554458.db2.gz DSQNSFZTYILGHM-AXFHLTTASA-N 0 0 227.348 2.088 10 0 BEAERN Cc1nc2n[nH]c(Br)c2c(Cl)n1 ZINC000066322906 388683186 /nfs/dbraw/zinc/68/31/86/388683186.db2.gz LZXVEZIBXLYVRF-UHFFFAOYSA-N 0 0 247.483 2.077 10 0 BEAERN CCC[C@@H](C)NC(=O)NCC[C@@H]1CCCO1 ZINC000642618371 388620791 /nfs/dbraw/zinc/62/07/91/388620791.db2.gz WVEJYUHQWZKJBE-MNOVXSKESA-N 0 0 228.336 2.043 10 0 BEAERN CN(C(=O)OC(C)(C)C)c1ccnc(N)c1 ZINC000230505856 388637613 /nfs/dbraw/zinc/63/76/13/388637613.db2.gz MHPRTYRPHIWORU-UHFFFAOYSA-N 0 0 223.276 2.035 10 0 BEAERN CSc1ccc(NC2CC=CC2)nn1 ZINC000301626255 388641224 /nfs/dbraw/zinc/64/12/24/388641224.db2.gz HKCZPEXBZJBGOW-UHFFFAOYSA-N 0 0 207.302 2.329 10 0 BEAERN CN(Cc1ccc(Cl)cc1)C(=O)c1cn[nH]c1 ZINC000037652602 388646540 /nfs/dbraw/zinc/64/65/40/388646540.db2.gz WYUDQNLEJMKEMA-UHFFFAOYSA-N 0 0 249.701 2.335 10 0 BEAERN CC(C)n1nnnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000247223890 388660853 /nfs/dbraw/zinc/66/08/53/388660853.db2.gz CXYCNRLEVRUOHZ-VXGBXAGGSA-N 0 0 249.362 2.019 10 0 BEAERN COc1cc(O)c(Cl)c(OC)c1C ZINC000075602889 388660971 /nfs/dbraw/zinc/66/09/71/388660971.db2.gz YWJUSEYMIHBBMO-UHFFFAOYSA-N 0 0 202.637 2.371 10 0 BEAERN CCC(C)(C)NC(=O)CCCSC ZINC000127953451 388734137 /nfs/dbraw/zinc/73/41/37/388734137.db2.gz YNNKGMARVLZQMS-UHFFFAOYSA-N 0 0 203.351 2.434 10 0 BEAERN Cc1ncc(C(=O)[C@H]2CCSC2)s1 ZINC000575450581 388734118 /nfs/dbraw/zinc/73/41/18/388734118.db2.gz LNGBIJYQFUYGFD-ZETCQYMHSA-N 0 0 213.327 2.387 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000249855106 388734443 /nfs/dbraw/zinc/73/44/43/388734443.db2.gz FVFFKVJTRWOWHF-ZDEQEGDKSA-N 0 0 239.359 2.496 10 0 BEAERN Cc1cccc(CNC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000128135257 388738584 /nfs/dbraw/zinc/73/85/84/388738584.db2.gz SHZVHLOFCDUJFP-WCQYABFASA-N 0 0 233.311 2.179 10 0 BEAERN CC1CC(C(=O)N[C@@H](CO)C2CCCCC2)C1 ZINC000538888916 388739134 /nfs/dbraw/zinc/73/91/34/388739134.db2.gz XQGOMWKOMNQOHJ-GDKBPFBDSA-N 0 0 239.359 2.090 10 0 BEAERN CC[C@@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000192846231 388687082 /nfs/dbraw/zinc/68/70/82/388687082.db2.gz MHYHQPNRNSINMY-YPMHNXCESA-N 0 0 237.347 2.075 10 0 BEAERN CC[C@@H](NC(=O)c1cnc(Cl)cn1)C(C)C ZINC000225939904 388693148 /nfs/dbraw/zinc/69/31/48/388693148.db2.gz SHQMCKVVDBNCOP-MRVPVSSYSA-N 0 0 241.722 2.294 10 0 BEAERN CCC[C@H](CC)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000195279313 388703856 /nfs/dbraw/zinc/70/38/56/388703856.db2.gz MMPSIFZKGYXZHH-SRVKXCTJSA-N 0 0 242.363 2.432 10 0 BEAERN CC(C)OC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000127864396 388732688 /nfs/dbraw/zinc/73/26/88/388732688.db2.gz FWTKKDXRLNOUPY-BDAKNGLRSA-N 0 0 217.334 2.357 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nnc(C)c(C)n1 ZINC000229548496 388793343 /nfs/dbraw/zinc/79/33/43/388793343.db2.gz RIZBNDTVLACZJR-UWVGGRQHSA-N 0 0 206.293 2.089 10 0 BEAERN COc1cccc(CNC(=O)c2ccsc2)n1 ZINC000128433562 388760280 /nfs/dbraw/zinc/76/02/80/388760280.db2.gz QPZOYPGCVHPOOK-UHFFFAOYSA-N 0 0 248.307 2.082 10 0 BEAERN O=C1COC[C@H]1Cc1csc(Cl)c1 ZINC000575454451 388763093 /nfs/dbraw/zinc/76/30/93/388763093.db2.gz QGRYEWLRCJCNTK-SSDOTTSWSA-N 0 0 216.689 2.160 10 0 BEAERN O=C(NCC1CC(O)C1)C1CCCCCCC1 ZINC000091538111 388765171 /nfs/dbraw/zinc/76/51/71/388765171.db2.gz KWLLPSKUWYOASU-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN CC[C@@H](COC)N[C@@H](C)c1ncc(C)o1 ZINC000230095787 388814619 /nfs/dbraw/zinc/81/46/19/388814619.db2.gz AAZAVLRHLMMGMJ-UWVGGRQHSA-N 0 0 212.293 2.059 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC000230175980 388819408 /nfs/dbraw/zinc/81/94/08/388819408.db2.gz PPAXPTABRBKRBN-VHSXEESVSA-N 0 0 225.332 2.154 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C)n[nH]1 ZINC000230182924 388819511 /nfs/dbraw/zinc/81/95/11/388819511.db2.gz CWSNSFGHLDBPMB-CBAPKCEASA-N 0 0 207.277 2.093 10 0 BEAERN Fc1ncnc2c1CN(Cc1ccccc1)CC2 ZINC000575461838 388820949 /nfs/dbraw/zinc/82/09/49/388820949.db2.gz XGKCOPJXWGIVLH-UHFFFAOYSA-N 0 0 243.285 2.174 10 0 BEAERN CC(C)OC(=O)N[C@@H](C)CC(F)(F)F ZINC000232662546 388856058 /nfs/dbraw/zinc/85/60/58/388856058.db2.gz UGIJWQPOSNWGFV-LURJTMIESA-N 0 0 213.199 2.462 10 0 BEAERN CCN(CCO)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000163088652 388858060 /nfs/dbraw/zinc/85/80/60/388858060.db2.gz YSNWBJPBNIFJMN-STQMWFEESA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H](O)c1cc(N)cc(Br)c1 ZINC000575479758 388862256 /nfs/dbraw/zinc/86/22/56/388862256.db2.gz PPPXGOJJWQDKFD-YFKPBYRVSA-N 0 0 216.078 2.085 10 0 BEAERN CC(C)n1nccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000337202138 388849907 /nfs/dbraw/zinc/84/99/07/388849907.db2.gz GPCJYVNYSFHBCL-DGCLKSJQSA-N 0 0 237.347 2.121 10 0 BEAERN CCOC(=O)c1cncc(OC(F)(F)F)c1C ZINC000575375139 388883970 /nfs/dbraw/zinc/88/39/70/388883970.db2.gz QQHJNGTVTFRMBS-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CC1CC(C(=O)N2CCNCc3ccccc32)C1 ZINC000564837695 388892507 /nfs/dbraw/zinc/89/25/07/388892507.db2.gz UOPCIYYDKIBCKX-UHFFFAOYSA-N 0 0 244.338 2.169 10 0 BEAERN C[C@@H]1CCCCC[C@@H]1N(C)C(N)=S ZINC000575490176 388912088 /nfs/dbraw/zinc/91/20/88/388912088.db2.gz YYVXRXVGYCXJLE-BDAKNGLRSA-N 0 0 200.351 2.131 10 0 BEAERN Cc1nc(-c2nc(N)c(C)s2)cs1 ZINC000575492155 388933330 /nfs/dbraw/zinc/93/33/30/388933330.db2.gz YZYHJVRFWUWMBR-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN CN(C)c1c(N)cc(Br)cc1F ZINC000575493035 388942928 /nfs/dbraw/zinc/94/29/28/388942928.db2.gz NLHDQHFZZWKXDH-UHFFFAOYSA-N 0 0 233.084 2.236 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)s1 ZINC000268677029 389002878 /nfs/dbraw/zinc/00/28/78/389002878.db2.gz FTGLISJXWPPOJU-SNVBAGLBSA-N 0 0 241.356 2.193 10 0 BEAERN CC[C@H](O)c1cc(N)ccc1Br ZINC000575501009 388990580 /nfs/dbraw/zinc/99/05/80/388990580.db2.gz IWYILABZTBVBPD-VIFPVBQESA-N 0 0 230.105 2.475 10 0 BEAERN Cc1cnc(N[C@@H](C)[C@H]2CCCO2)nc1C ZINC000270730376 389013844 /nfs/dbraw/zinc/01/38/44/389013844.db2.gz UGSWIYZDIVBCJV-WDEREUQCSA-N 0 0 221.304 2.073 10 0 BEAERN C[C@H]1CCc2ccccc2N1CC(N)=S ZINC000019507431 132325633 /nfs/dbraw/zinc/32/56/33/132325633.db2.gz WWIKILAZOASPGP-VIFPVBQESA-N 0 0 220.341 2.114 10 0 BEAERN C[C@@H]1CN(c2ccc(Cl)cc2N)CCO1 ZINC000021960280 132332061 /nfs/dbraw/zinc/33/20/61/132332061.db2.gz KVTFFOLXOLDRIE-MRVPVSSYSA-N 0 0 226.707 2.147 10 0 BEAERN C[C@H]1COCCN1c1c(N)cccc1Cl ZINC000035774405 132339412 /nfs/dbraw/zinc/33/94/12/132339412.db2.gz PDXRLRHJBMMZKZ-QMMMGPOBSA-N 0 0 226.707 2.147 10 0 BEAERN Nc1cccnc1N1CCC(C(F)(F)F)CC1 ZINC000036047415 132340079 /nfs/dbraw/zinc/34/00/79/132340079.db2.gz TZYOIOYMQYIUDR-UHFFFAOYSA-N 0 0 245.248 2.443 10 0 BEAERN CCN(C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000117600407 169678099 /nfs/dbraw/zinc/67/80/99/169678099.db2.gz FGJXLJJOHGGXMG-LLVKDONJSA-N 0 0 233.311 2.421 10 0 BEAERN CO[C@@H](CN[C@H](C)c1ncc(C)o1)C1CC1 ZINC000400257923 533372579 /nfs/dbraw/zinc/37/25/79/533372579.db2.gz RNTKLXCYLGZUOQ-KOLCDFICSA-N 0 0 224.304 2.059 10 0 BEAERN CO[C@@H]1C[C@@H](NC(=O)OC(C)C)C12CCC2 ZINC000496680718 533535654 /nfs/dbraw/zinc/53/56/54/533535654.db2.gz WRJUFSREJYGTKR-NXEZZACHSA-N 0 0 227.304 2.079 10 0 BEAERN Cc1ccnc(N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000268321069 132192528 /nfs/dbraw/zinc/19/25/28/132192528.db2.gz MYHNYULIEGVXQD-GHMZBOCLSA-N 0 0 206.289 2.004 10 0 BEAERN Clc1cc(N2CC[C@H]3OCC[C@H]3C2)ccn1 ZINC000369690705 132284570 /nfs/dbraw/zinc/28/45/70/132284570.db2.gz BVPUEGIESVRKSY-GXSJLCMTSA-N 0 0 238.718 2.350 10 0 BEAERN O=C(c1cccnc1)N1CCOc2ccccc21 ZINC000024586280 132287986 /nfs/dbraw/zinc/28/79/86/132287986.db2.gz WAXWWVTYJQEEAH-UHFFFAOYSA-N 0 0 240.262 2.121 10 0 BEAERN C[C@@H]1CCCN(c2ccc(CO)cc2)C1 ZINC000026513691 132293582 /nfs/dbraw/zinc/29/35/82/132293582.db2.gz PFJSYYPDGWEWJG-LLVKDONJSA-N 0 0 205.301 2.415 10 0 BEAERN O=S1(=O)CCCCN1c1ccc(Cl)cc1 ZINC000041296779 132297180 /nfs/dbraw/zinc/29/71/80/132297180.db2.gz BVKRBMONCTXMLJ-UHFFFAOYSA-N 0 0 245.731 2.270 10 0 BEAERN C[C@@H]1CN(c2ncccc2Cl)CCC1=O ZINC000090659435 132311608 /nfs/dbraw/zinc/31/16/08/132311608.db2.gz UVPCMAPULITPKN-MRVPVSSYSA-N 0 0 224.691 2.150 10 0 BEAERN CC(C)c1ccc(N2CCN(C(N)=O)CC2)cc1 ZINC000000386757 132313533 /nfs/dbraw/zinc/31/35/33/132313533.db2.gz OKGWEDYXAADQSA-UHFFFAOYSA-N 0 0 247.342 2.011 10 0 BEAERN Nc1ccc(N2CCCCC2=O)c(Cl)c1 ZINC000019420694 132324813 /nfs/dbraw/zinc/32/48/13/132324813.db2.gz GPCVLJNLHGVMSI-UHFFFAOYSA-N 0 0 224.691 2.439 10 0 BEAERN C[C@H]1CCCCN1c1ccc(C(N)=S)cn1 ZINC000019471821 132325109 /nfs/dbraw/zinc/32/51/09/132325109.db2.gz HQEYZTBUAQXBRD-VIFPVBQESA-N 0 0 235.356 2.095 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ccc(C(N)=S)cn2)C1 ZINC000019805757 132327704 /nfs/dbraw/zinc/32/77/04/132327704.db2.gz QBVYFLSXRRMJES-NXEZZACHSA-N 0 0 249.383 2.198 10 0 BEAERN CCNC(=O)N1CCCc2ccccc21 ZINC000021298803 132331960 /nfs/dbraw/zinc/33/19/60/132331960.db2.gz KBCYXCAGNKMZBW-UHFFFAOYSA-N 0 0 204.273 2.169 10 0 BEAERN C[C@H]1CN(c2ccc(N)cc2Cl)CCO1 ZINC000021958181 132332152 /nfs/dbraw/zinc/33/21/52/132332152.db2.gz GAMRITJSMHUNTI-QMMMGPOBSA-N 0 0 226.707 2.147 10 0 BEAERN Nc1ccccc1N1CCCC[C@@H]1CCO ZINC000022219404 132332608 /nfs/dbraw/zinc/33/26/08/132332608.db2.gz DBVDKJXPZZDZNH-LLVKDONJSA-N 0 0 220.316 2.010 10 0 BEAERN Nc1ccccc1N1CCCC[C@H]1CCO ZINC000022219407 132332609 /nfs/dbraw/zinc/33/26/09/132332609.db2.gz DBVDKJXPZZDZNH-NSHDSACASA-N 0 0 220.316 2.010 10 0 BEAERN C[C@@H]1COCCN1c1ccc(N)cc1Cl ZINC000035774426 132339460 /nfs/dbraw/zinc/33/94/60/132339460.db2.gz KVGGIFLBAALOKO-MRVPVSSYSA-N 0 0 226.707 2.147 10 0 BEAERN Cc1ccc(N2C[C@@H](C)OC[C@@H]2C)c(N)c1 ZINC000035783745 132339641 /nfs/dbraw/zinc/33/96/41/132339641.db2.gz UAEXTEVKEXPSJF-WDEREUQCSA-N 0 0 220.316 2.191 10 0 BEAERN Cc1cc(N)ccc1N1C[C@H](C)OC[C@@H]1C ZINC000035783747 132339669 /nfs/dbraw/zinc/33/96/69/132339669.db2.gz YAZNNCQRIDUXCC-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1ccc(F)cc1N ZINC000036131881 132340092 /nfs/dbraw/zinc/34/00/92/132340092.db2.gz VODJJAAXFYHVPU-MWLCHTKSSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@@H]1CCCN(c2ccc(N)cn2)C1 ZINC000036168906 132340258 /nfs/dbraw/zinc/34/02/58/132340258.db2.gz WVULPOFEYJOZNC-SNVBAGLBSA-N 0 0 205.305 2.290 10 0 BEAERN CC[C@@H]1CCCN(c2cc(C(N)=S)ccn2)C1 ZINC000036170032 132340281 /nfs/dbraw/zinc/34/02/81/132340281.db2.gz WIGIQVXQHVVYHE-SNVBAGLBSA-N 0 0 249.383 2.342 10 0 BEAERN CC[C@@H]1CCCN(c2ccc(N)c(OC)n2)C1 ZINC000036168972 132340324 /nfs/dbraw/zinc/34/03/24/132340324.db2.gz WXOZTDYBPVXRQI-SNVBAGLBSA-N 0 0 235.331 2.299 10 0 BEAERN CC[C@@H]1CN(c2ccc(C)cc2N)CCO1 ZINC000036769288 132342484 /nfs/dbraw/zinc/34/24/84/132342484.db2.gz DRMVSSXMZLPHCK-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@@H]1CN(c2ccc(F)cc2N)CCO1 ZINC000036769308 132342487 /nfs/dbraw/zinc/34/24/87/132342487.db2.gz ZUYKTUWDRLULJF-SNVBAGLBSA-N 0 0 224.279 2.023 10 0 BEAERN CC[C@@H]1CN(c2ccc([C@@H](C)O)cc2)CCO1 ZINC000036770311 132342711 /nfs/dbraw/zinc/34/27/11/132342711.db2.gz QSLDQIVPKKGSKC-BXUZGUMPSA-N 0 0 235.327 2.355 10 0 BEAERN Nc1ccc(N2CCCCC2)nc1OCC1CC1 ZINC000037066372 132343343 /nfs/dbraw/zinc/34/33/43/132343343.db2.gz CKBQVLXEZGKWRN-UHFFFAOYSA-N 0 0 247.342 2.443 10 0 BEAERN C[C@@H](CN1CCCc2ccccc21)C(N)=S ZINC000036986861 132343358 /nfs/dbraw/zinc/34/33/58/132343358.db2.gz UQUIDEWHDDKPLK-JTQLQIEISA-N 0 0 234.368 2.361 10 0 BEAERN C[C@H]1CN(c2ccc(F)cc2C=O)C[C@H](C)O1 ZINC000037233692 132343594 /nfs/dbraw/zinc/34/35/94/132343594.db2.gz RNUQESWOTDOHNX-UWVGGRQHSA-N 0 0 237.274 2.252 10 0 BEAERN O[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000040412294 132347361 /nfs/dbraw/zinc/34/73/61/132347361.db2.gz RGALWXNFYHORMP-GFCCVEGCSA-N 0 0 228.295 2.196 10 0 BEAERN CC1(C)COCCN1c1ccc(F)cc1N ZINC000042461633 132352206 /nfs/dbraw/zinc/35/22/06/132352206.db2.gz NPIZGVJASLAHIP-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1cc(N2CCOCC2(C)C)ccc1N ZINC000042461679 132352307 /nfs/dbraw/zinc/35/23/07/132352307.db2.gz MCACRRXFQJHXIJ-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN C[C@H]1c2ccsc2CCN1c1ncc(N)cn1 ZINC000042740667 132352435 /nfs/dbraw/zinc/35/24/35/132352435.db2.gz HTLSDYAUTZURFF-QMMMGPOBSA-N 0 0 246.339 2.244 10 0 BEAERN C[C@@H]1CN(c2ccc(N(C)C)cc2)CCC1=O ZINC000049693760 132356565 /nfs/dbraw/zinc/35/65/65/132356565.db2.gz DPLYQLOVYBJMPL-LLVKDONJSA-N 0 0 232.327 2.168 10 0 BEAERN COCc1ccccc1N1CCC(=O)C[C@H]1C ZINC000049713797 132357881 /nfs/dbraw/zinc/35/78/81/132357881.db2.gz FUFPLEQBCFVKLY-LLVKDONJSA-N 0 0 233.311 2.391 10 0 BEAERN NC(=S)Cc1ccc(N2CCCCC2=O)cc1 ZINC000051602202 132361532 /nfs/dbraw/zinc/36/15/32/132361532.db2.gz ULNKPXABHZRPCT-UHFFFAOYSA-N 0 0 248.351 2.032 10 0 BEAERN CC[C@@H]1CN(c2cc(F)ccc2N)CCO1 ZINC000052120394 132361957 /nfs/dbraw/zinc/36/19/57/132361957.db2.gz CNRKILTWWAVASD-SNVBAGLBSA-N 0 0 224.279 2.023 10 0 BEAERN CC[C@H]1COCCN1c1cc(N)ccc1C ZINC000053735098 132363664 /nfs/dbraw/zinc/36/36/64/132363664.db2.gz MWDUDZGQNQLXOH-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@H](O)c1ccc2c(c1)CCC(=O)N2C ZINC000058112075 132368065 /nfs/dbraw/zinc/36/80/65/132368065.db2.gz GSNPGXNNUGMTNF-LBPRGKRZSA-N 0 0 219.284 2.039 10 0 BEAERN CC(C)[C@H](O)c1ccc2c(c1)CCC(=O)N2C ZINC000058112084 132368041 /nfs/dbraw/zinc/36/80/41/132368041.db2.gz YATWDZIKXIPXQA-AWEZNQCLSA-N 0 0 233.311 2.285 10 0 BEAERN C[C@@H]1C[C@@H](C)CCN1c1ccc(N)nc1 ZINC000060392678 132368815 /nfs/dbraw/zinc/36/88/15/132368815.db2.gz PCSUEKQCXWMLJB-VHSXEESVSA-N 0 0 205.305 2.289 10 0 BEAERN CC1(C)CCN(c2ccc(N)nc2)CC1 ZINC000061819242 132387266 /nfs/dbraw/zinc/38/72/66/132387266.db2.gz RHZKCRKMDUUIEQ-UHFFFAOYSA-N 0 0 205.305 2.290 10 0 BEAERN OCc1ccc(N2CCC3(CCCC3)CC2)nn1 ZINC000062955423 132388785 /nfs/dbraw/zinc/38/87/85/132388785.db2.gz FVSDZNRYMHXDBW-UHFFFAOYSA-N 0 0 247.342 2.130 10 0 BEAERN c1ccc(N2CCO[C@@H](c3ccncn3)C2)cc1 ZINC000072187502 132395589 /nfs/dbraw/zinc/39/55/89/132395589.db2.gz XDLZWERTYXCGNY-CQSZACIVSA-N 0 0 241.294 2.055 10 0 BEAERN CC[C@@H]1CN(c2ccccc2[C@H](C)O)CCO1 ZINC000103916266 132433765 /nfs/dbraw/zinc/43/37/65/132433765.db2.gz JETYLBAOSNJJKR-NWDGAFQWSA-N 0 0 235.327 2.355 10 0 BEAERN O=C(c1ncccc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000334255669 133599790 /nfs/dbraw/zinc/59/97/90/133599790.db2.gz YTMYLECUZOGOLO-SCZZXKLOSA-N 0 0 236.702 2.360 10 0 BEAERN Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]32)c(=O)[nH]1 ZINC000334317194 133617995 /nfs/dbraw/zinc/61/79/95/133617995.db2.gz UMIZARGSAOPGMC-QWRGUYRKSA-N 0 0 246.310 2.029 10 0 BEAERN CC(C)[C@H]1N(C(=O)C2CC=CC2)C[C@]12CCCO2 ZINC000335445839 133848204 /nfs/dbraw/zinc/84/82/04/133848204.db2.gz XZCGGWKZZRIHJP-UKRRQHHQSA-N 0 0 249.354 2.369 10 0 BEAERN Cc1ccc(F)c(NCc2nnnn2C(C)C)c1 ZINC000349767480 133908301 /nfs/dbraw/zinc/90/83/01/133908301.db2.gz JEBHIUXHNBJGNC-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCCn2nccc21 ZINC000335795375 133910385 /nfs/dbraw/zinc/91/03/85/133910385.db2.gz QKUJINAQHQAVJL-WDEREUQCSA-N 0 0 233.315 2.056 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC(F)(F)C2)n1 ZINC000335803482 133914641 /nfs/dbraw/zinc/91/46/41/133914641.db2.gz DZQJZJWEMRLNQS-UHFFFAOYSA-N 0 0 231.221 2.078 10 0 BEAERN COC(CNC(=O)C[C@H](C)CC(C)(C)C)OC ZINC000061940408 1172718170 /nfs/dbraw/zinc/71/81/70/1172718170.db2.gz FGNZMWUIKRRVOY-JTQLQIEISA-N 0 0 245.363 2.184 10 0 BEAERN C[C@H]1CC(CNC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000335961690 134026899 /nfs/dbraw/zinc/02/68/99/134026899.db2.gz FAQTZOXTQCADAE-UWVGGRQHSA-N 0 0 242.363 2.288 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC[C@H]2C)n1 ZINC000336031936 134058896 /nfs/dbraw/zinc/05/88/96/134058896.db2.gz QEYVNSPHDFVWKI-SSDOTTSWSA-N 0 0 209.268 2.221 10 0 BEAERN O=C(NCC1CC(F)(F)C1)N1C[C@@H]2CCC[C@H]21 ZINC000336099487 134081178 /nfs/dbraw/zinc/08/11/78/134081178.db2.gz ZJQGMVLUBOOQOO-VHSXEESVSA-N 0 0 244.285 2.226 10 0 BEAERN Cc1cc(N2CC[C@@H]3CCC[C@H]32)nc(C)n1 ZINC000336143963 134101481 /nfs/dbraw/zinc/10/14/81/134101481.db2.gz DOVKHXRBVYGGIW-NWDGAFQWSA-N 0 0 217.316 2.472 10 0 BEAERN CCC1(O)CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000336179630 134117702 /nfs/dbraw/zinc/11/77/02/134117702.db2.gz RTJQTKHIYAOBKP-NWDGAFQWSA-N 0 0 239.359 2.186 10 0 BEAERN CC1(C)CC[C@@H](CN2CC(C(F)(F)F)C2)O1 ZINC000336189054 134122745 /nfs/dbraw/zinc/12/27/45/134122745.db2.gz YBKVKWRKPPVCGI-VIFPVBQESA-N 0 0 237.265 2.438 10 0 BEAERN CCC[C@@H]([NH2+]CCc1cccc(C)c1)C(=O)[O-] ZINC000216519525 134148934 /nfs/dbraw/zinc/14/89/34/134148934.db2.gz UNABYFBSGQAQEX-CYBMUJFWSA-N 0 0 235.327 2.380 10 0 BEAERN Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000172295633 134265379 /nfs/dbraw/zinc/26/53/79/134265379.db2.gz ODDVTIGDQKBBGQ-NSHDSACASA-N 0 0 245.282 2.288 10 0 BEAERN Cc1ccc([C@@H]2CCCCN2C(N)=O)o1 ZINC000173761082 134275006 /nfs/dbraw/zinc/27/50/06/134275006.db2.gz ZVFDTXBJECEMHA-VIFPVBQESA-N 0 0 208.261 2.194 10 0 BEAERN CCSCC[C@H](C)N(C)C(=O)[C@@H](C)COC ZINC000175576173 134288038 /nfs/dbraw/zinc/28/80/38/134288038.db2.gz HWJVZROWVJPQBF-QWRGUYRKSA-N 0 0 247.404 2.259 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)c1ncncc1Cl ZINC000176480108 134291601 /nfs/dbraw/zinc/29/16/01/134291601.db2.gz GWLJHFJSDICMGD-ZETCQYMHSA-N 0 0 239.706 2.048 10 0 BEAERN C[C@H](CCc1ccccc1)SC[C@@H](O)CO ZINC000177448986 134298096 /nfs/dbraw/zinc/29/80/96/134298096.db2.gz RLFZQSMJALCEGE-YPMHNXCESA-N 0 0 240.368 2.094 10 0 BEAERN Cc1cc(CN[C@H](C)c2cncc(F)c2)no1 ZINC000222683112 134333570 /nfs/dbraw/zinc/33/35/70/134333570.db2.gz GGJGCSKUFSYVOJ-SECBINFHSA-N 0 0 235.262 2.368 10 0 BEAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccoc1 ZINC000181257074 134334433 /nfs/dbraw/zinc/33/44/33/134334433.db2.gz NWJNSSWQGWGYKT-SKDRFNHKSA-N 0 0 246.314 2.365 10 0 BEAERN Cc1oncc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000181682767 134338820 /nfs/dbraw/zinc/33/88/20/134338820.db2.gz RVCQQBVZAMFDAI-ZDUSSCGKSA-N 0 0 246.314 2.054 10 0 BEAERN COCCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183450490 134351558 /nfs/dbraw/zinc/35/15/58/134351558.db2.gz VEHVLTMSLDRJQW-WDEREUQCSA-N 0 0 227.348 2.211 10 0 BEAERN OC[C@@H](O)CSCC1CCCCCC1 ZINC000183890146 134356970 /nfs/dbraw/zinc/35/69/70/134356970.db2.gz ARNKIEZBBLCVHC-LLVKDONJSA-N 0 0 218.362 2.043 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cccc2c1OCC[C@@H]2O ZINC000184574658 134363705 /nfs/dbraw/zinc/36/37/05/134363705.db2.gz LMVRXCXOQLHRRS-GAFUQQFSSA-N 0 0 249.310 2.092 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2ccncc2F)o1 ZINC000226613393 134368152 /nfs/dbraw/zinc/36/81/52/134368152.db2.gz HCRSIDWNFOQSKA-MRVPVSSYSA-N 0 0 249.245 2.008 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000185196175 134372804 /nfs/dbraw/zinc/37/28/04/134372804.db2.gz RUIHJUYRLXHVTR-TUAOUCFPSA-N 0 0 227.348 2.352 10 0 BEAERN COCCC(C)(C)CNC(=O)N[C@H](C)C(C)C ZINC000185455821 134380610 /nfs/dbraw/zinc/38/06/10/134380610.db2.gz YUTXFOZBPCWNRP-LLVKDONJSA-N 0 0 244.379 2.393 10 0 BEAERN C[C@@H](NCC(F)(F)F)c1cncc(F)c1 ZINC000228578725 134414874 /nfs/dbraw/zinc/41/48/74/134414874.db2.gz WPZBVBOVHGFJEQ-ZCFIWIBFSA-N 0 0 222.185 2.434 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000187777863 134472936 /nfs/dbraw/zinc/47/29/36/134472936.db2.gz MZASSYJSZTXZLS-UHTWSYAYSA-N 0 0 247.342 2.098 10 0 BEAERN CSCCCCCNC(=O)N[C@@H]1C[C@@H]1C ZINC000187784001 134473111 /nfs/dbraw/zinc/47/31/11/134473111.db2.gz FRFBXZQTOKXLTB-VHSXEESVSA-N 0 0 230.377 2.227 10 0 BEAERN Clc1cncc(N[C@H]2CCO[C@H]2C2CC2)n1 ZINC000230307447 134495003 /nfs/dbraw/zinc/49/50/03/134495003.db2.gz QMGSFIMOEUVJLW-KWQFWETISA-N 0 0 239.706 2.109 10 0 BEAERN CCCCN(CC)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190435653 134560944 /nfs/dbraw/zinc/56/09/44/134560944.db2.gz GMMFQFPDFXHSKO-VXGBXAGGSA-N 0 0 227.348 2.450 10 0 BEAERN CCN(CC1CC1)C(=O)[C@H]1CCCO[C@H]1C ZINC000191629216 134574043 /nfs/dbraw/zinc/57/40/43/134574043.db2.gz JZPGSMLEVIZEPV-JQWIXIFHSA-N 0 0 225.332 2.060 10 0 BEAERN O=C(OCC1CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000192885469 134589774 /nfs/dbraw/zinc/58/97/74/134589774.db2.gz ZZLMNZWSMROBJB-UHFFFAOYSA-N 0 0 249.314 2.136 10 0 BEAERN CCCc1nnc(NC[C@@]2(C)CCCO2)s1 ZINC000153498817 134637841 /nfs/dbraw/zinc/63/78/41/134637841.db2.gz ARJYJGJQXWJTGO-LLVKDONJSA-N 0 0 241.360 2.472 10 0 BEAERN CSCC[C@H](CO)Nc1ccnc(Cl)c1 ZINC000154573056 134672844 /nfs/dbraw/zinc/67/28/44/134672844.db2.gz RLLKFIDEIWGERW-SECBINFHSA-N 0 0 246.763 2.261 10 0 BEAERN Cc1ccc(CCC(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000133580242 134684320 /nfs/dbraw/zinc/68/43/20/134684320.db2.gz SBFKLHQRSXYIAO-OLZOCXBDSA-N 0 0 249.354 2.061 10 0 BEAERN COC[C@H](C)C(=O)N1CCCC[C@H](SC)C1 ZINC000134147235 134702788 /nfs/dbraw/zinc/70/27/88/134702788.db2.gz YAHLYZCCZDEJCF-QWRGUYRKSA-N 0 0 245.388 2.013 10 0 BEAERN CC(=O)N1CCn2c(cc3ccccc32)C1 ZINC000062616427 134808232 /nfs/dbraw/zinc/80/82/32/134808232.db2.gz TXOPKEAAIPUZAJ-UHFFFAOYSA-N 0 0 214.268 2.003 10 0 BEAERN C[C@H](C(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000245481451 134855092 /nfs/dbraw/zinc/85/50/92/134855092.db2.gz YJKOTDIBWIIUFC-UHTWSYAYSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2CCC2)O1 ZINC000245961506 134872459 /nfs/dbraw/zinc/87/24/59/134872459.db2.gz CWLOEVOYKUBMDL-WXHSDQCUSA-N 0 0 237.343 2.345 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)CC[C@@H]2C)O1 ZINC000246133602 134877454 /nfs/dbraw/zinc/87/74/54/134877454.db2.gz ZUFQWXPPXNSGCA-WRWGMCAJSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@H](Cc1cccs1)NC(=O)N[C@@H]1C[C@@H]1C ZINC000246176021 134878522 /nfs/dbraw/zinc/87/85/22/134878522.db2.gz DTDQTTCZLAAPOB-IQJOONFLSA-N 0 0 238.356 2.387 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000246178499 134879063 /nfs/dbraw/zinc/87/90/63/134879063.db2.gz FQZJVLDLUNIJJD-USWWRNFRSA-N 0 0 246.310 2.218 10 0 BEAERN CCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246168387 134879091 /nfs/dbraw/zinc/87/90/91/134879091.db2.gz HJPMLWFUOOUKLV-YNEHKIRRSA-N 0 0 230.311 2.034 10 0 BEAERN CC1(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000177737351 134905281 /nfs/dbraw/zinc/90/52/81/134905281.db2.gz OFKDHKXHAOXKNA-LLVKDONJSA-N 0 0 231.295 2.427 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000246676843 134958075 /nfs/dbraw/zinc/95/80/75/134958075.db2.gz GWLRNZNVYOHVNT-ADDUCUOXSA-N 0 0 241.334 2.415 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCOC2)CC(C)(C)C1 ZINC000248555205 135003619 /nfs/dbraw/zinc/00/36/19/135003619.db2.gz LKVGATXFKNDEGY-UTUOFQBUSA-N 0 0 239.359 2.354 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1Cc1nnc(C2CC2)n1C ZINC000076148936 135013385 /nfs/dbraw/zinc/01/33/85/135013385.db2.gz SUZDUGZKJKLUCI-WDEREUQCSA-N 0 0 248.374 2.313 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000248807555 135021442 /nfs/dbraw/zinc/02/14/42/135021442.db2.gz BOCXACXCZGFZOF-QNWHQSFQSA-N 0 0 239.359 2.306 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC1(C)C ZINC000249627943 135042353 /nfs/dbraw/zinc/04/23/53/135042353.db2.gz QVJIXBIVPORGGK-SRVKXCTJSA-N 0 0 239.359 2.496 10 0 BEAERN CCCCCNC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249771338 135045700 /nfs/dbraw/zinc/04/57/00/135045700.db2.gz JLUCJONTMBNBDF-QJPTWQEYSA-N 0 0 240.347 2.043 10 0 BEAERN C[C@H](NC(=O)N1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000251569892 135071404 /nfs/dbraw/zinc/07/14/04/135071404.db2.gz AQJIYFXQUCKCSB-GRYCIOLGSA-N 0 0 240.347 2.138 10 0 BEAERN CC/C=C(\C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000252007647 135082707 /nfs/dbraw/zinc/08/27/07/135082707.db2.gz XEXAXQYBKUHUCZ-ZKYAPIFESA-N 0 0 223.316 2.026 10 0 BEAERN COc1ccc([C@H]2C[C@H](C)N(C(C)=O)C2)cc1 ZINC000078188395 135109792 /nfs/dbraw/zinc/10/97/92/135109792.db2.gz JOCXEWQVQNZDTD-GWCFXTLKSA-N 0 0 233.311 2.420 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000253278361 135125443 /nfs/dbraw/zinc/12/54/43/135125443.db2.gz NXZGXGQSDNDVCV-SDDRHHMPSA-N 0 0 227.348 2.306 10 0 BEAERN Cc1cccc(CC[N@@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000258866416 135135509 /nfs/dbraw/zinc/13/55/09/135135509.db2.gz KOQBNYPJSWORTF-LBPRGKRZSA-N 0 0 235.327 2.190 10 0 BEAERN Nc1cccc2c1CCCN2Cc1csnn1 ZINC000261543907 135184492 /nfs/dbraw/zinc/18/44/92/135184492.db2.gz DFZUKLLCYLJYNW-UHFFFAOYSA-N 0 0 246.339 2.073 10 0 BEAERN Nc1cccc2c1CCCN2CC[C@H]1CCOC1 ZINC000261897169 135261283 /nfs/dbraw/zinc/26/12/83/135261283.db2.gz VEIVJZUGWLRFSR-LBPRGKRZSA-N 0 0 246.354 2.448 10 0 BEAERN CC[C@H]1CC[C@H](c2nc(CNC)no2)CC1 ZINC000262116504 135280008 /nfs/dbraw/zinc/28/00/08/135280008.db2.gz BNXKKISAYVBIBY-MGCOHNPYSA-N 0 0 223.320 2.473 10 0 BEAERN O=C(CC1CCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000079614539 135342125 /nfs/dbraw/zinc/34/21/25/135342125.db2.gz GYZUJSKEHLXWLG-QWHCGFSZSA-N 0 0 237.343 2.347 10 0 BEAERN Cc1ccc2c(c1)[C@@H]([NH+]1CC(C(=O)[O-])C1)[C@@H](C)C2 ZINC000263524480 135357757 /nfs/dbraw/zinc/35/77/57/135357757.db2.gz SQKOLNHFTJIJQD-HZMBPMFUSA-N 0 0 245.322 2.245 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@@H]1CCCn2ccnc21 ZINC000081803052 135389274 /nfs/dbraw/zinc/38/92/74/135389274.db2.gz GCJOJEPGQFATGN-VXGBXAGGSA-N 0 0 249.358 2.169 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@H]1CCCn2ccnc21 ZINC000081803056 135389797 /nfs/dbraw/zinc/38/97/97/135389797.db2.gz GCJOJEPGQFATGN-NEPJUHHUSA-N 0 0 249.358 2.169 10 0 BEAERN Cc1ccccc1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000077206929 135392151 /nfs/dbraw/zinc/39/21/51/135392151.db2.gz MLDWZEORVQIVBS-TZMCWYRMSA-N 0 0 247.338 2.276 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ncnc2c1CCCC2 ZINC000087308167 135504744 /nfs/dbraw/zinc/50/47/44/135504744.db2.gz KSENUMKVIMSWQQ-KWQFWETISA-N 0 0 203.289 2.176 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC(=O)CC1(C)C ZINC000334922068 135842183 /nfs/dbraw/zinc/84/21/83/135842183.db2.gz OBIUJIZGHGEQHQ-KOLCDFICSA-N 0 0 223.316 2.003 10 0 BEAERN CC1(C)CC[C@@H](N2C(=O)CC(C)(C)C2=O)C1 ZINC000335056448 135875208 /nfs/dbraw/zinc/87/52/08/135875208.db2.gz KXKIQZRFKCJZSW-SECBINFHSA-N 0 0 223.316 2.350 10 0 BEAERN Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]32)s1 ZINC000335329628 136053426 /nfs/dbraw/zinc/05/34/26/136053426.db2.gz YAJFJBRRCJWTRH-UWVGGRQHSA-N 0 0 236.340 2.384 10 0 BEAERN CCC[C@H]1NC(=O)N(C2CCC(C)CC2)C1=O ZINC000348476394 136080121 /nfs/dbraw/zinc/08/01/21/136080121.db2.gz JYVLKGZQFLSLFT-VQXHTEKXSA-N 0 0 238.331 2.286 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1CC2(CCC2)C1 ZINC000335374646 136085164 /nfs/dbraw/zinc/08/51/64/136085164.db2.gz FZVNWSOAJZCLRQ-GHMZBOCLSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CC2(C)CCCC2)C1 ZINC000335383995 136088217 /nfs/dbraw/zinc/08/82/17/136088217.db2.gz JUQZKYBJQMVHOK-VXGBXAGGSA-N 0 0 239.359 2.186 10 0 BEAERN CNc1ncccc1C(=O)NCCCC(C)C ZINC000062098112 1172738422 /nfs/dbraw/zinc/73/84/22/1172738422.db2.gz PPVOMJYGNVWQFF-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN CC(C)CN1c2ccc(F)cc2C(=O)C1=O ZINC000019967084 166963411 /nfs/dbraw/zinc/96/34/11/166963411.db2.gz NEKDFQURAGWOEE-UHFFFAOYSA-N 0 0 221.231 2.011 10 0 BEAERN CC(C)CNC(=O)CNc1ccc(F)c(F)c1 ZINC000020050300 166985080 /nfs/dbraw/zinc/98/50/80/166985080.db2.gz BBTGMBZSMRHZAN-UHFFFAOYSA-N 0 0 242.269 2.149 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C1C(C)(C)C1(C)C ZINC000336233772 397732638 /nfs/dbraw/zinc/73/26/38/397732638.db2.gz HYFQCDAYPWGVFT-VHSXEESVSA-N 0 0 239.359 2.040 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C(C)(C)C(C)(C)C ZINC000336233726 397733426 /nfs/dbraw/zinc/73/34/26/397733426.db2.gz CGGMFOWSQVOSGY-MNOVXSKESA-N 0 0 241.375 2.431 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2ccccn2)C1 ZINC000301777321 397791900 /nfs/dbraw/zinc/79/19/00/397791900.db2.gz LUKYABURMBEMIP-GHMZBOCLSA-N 0 0 206.289 2.451 10 0 BEAERN CCC(CC)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178300375 397845472 /nfs/dbraw/zinc/84/54/72/397845472.db2.gz VYKMEDLZKVCBHD-UONOGXRCSA-N 0 0 247.338 2.197 10 0 BEAERN CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(C)nc1C ZINC000179273969 397852388 /nfs/dbraw/zinc/85/23/88/397852388.db2.gz LJPDAQDTFMAPKT-PRHODGIISA-N 0 0 236.315 2.044 10 0 BEAERN CC[C@](C)(OC)C(=O)Nc1ccccc1OC ZINC000170228871 397822664 /nfs/dbraw/zinc/82/26/64/397822664.db2.gz DDUFNGVHPORJFT-ZDUSSCGKSA-N 0 0 237.299 2.449 10 0 BEAERN CC[C@H](O)c1cc(N)cc(Br)c1 ZINC000575478712 397956741 /nfs/dbraw/zinc/95/67/41/397956741.db2.gz JYQQPZRUBUTUSW-VIFPVBQESA-N 0 0 230.105 2.475 10 0 BEAERN Nc1ccnc(C(F)(F)F)c1Br ZINC000306945679 397960557 /nfs/dbraw/zinc/96/05/57/397960557.db2.gz AONLLLWXAWNGRE-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN Cc1ccc(F)c(C2=NC(=O)CS2)c1 ZINC000306986626 397962784 /nfs/dbraw/zinc/96/27/84/397962784.db2.gz PESZGCKYFCJPCE-UHFFFAOYSA-N 0 0 209.245 2.154 10 0 BEAERN Cc1nn(C)c(CC(=O)C(C)(C)F)c1Cl ZINC000306866985 397923730 /nfs/dbraw/zinc/92/37/30/397923730.db2.gz OUWNOSQHVGAENI-UHFFFAOYSA-N 0 0 232.686 2.242 10 0 BEAERN Cc1nc2cnccc2n1-c1ccc(O)cc1 ZINC000144630140 397992646 /nfs/dbraw/zinc/99/26/46/397992646.db2.gz HTDWUITVLGIKSQ-UHFFFAOYSA-N 0 0 225.251 2.435 10 0 BEAERN Clc1nsnc1-c1cncs1 ZINC000575470875 398002500 /nfs/dbraw/zinc/00/25/00/398002500.db2.gz AXQUKKRIQLLPPI-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN Clc1nsnc1S[C@@H]1CCOC1 ZINC000575597312 398013811 /nfs/dbraw/zinc/01/38/11/398013811.db2.gz ZMZNEDKHJMDNKO-SCSAIBSYSA-N 0 0 222.722 2.073 10 0 BEAERN Brc1ccoc1CNc1c[nH]cn1 ZINC000306662499 398016755 /nfs/dbraw/zinc/01/67/55/398016755.db2.gz PSISSSRCTKSRNK-UHFFFAOYSA-N 0 0 242.076 2.377 10 0 BEAERN CC[C@]1(C)C[C@H]1NC1N=NC(=S)S1 ZINC000307122356 397982313 /nfs/dbraw/zinc/98/23/13/397982313.db2.gz LOYBHWJLUXPXQM-SVGQVSJJSA-N 0 0 215.347 2.427 10 0 BEAERN F[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000616581270 398043273 /nfs/dbraw/zinc/04/32/73/398043273.db2.gz KWKWVKSNUXPUBK-HBNTYKKESA-N 0 0 201.285 2.036 10 0 BEAERN O=C1c2cccc(O)c2Cc2c(O)cccc21 ZINC000013606497 397986522 /nfs/dbraw/zinc/98/65/22/397986522.db2.gz BGECJMUUSSERAU-UHFFFAOYSA-N 0 0 226.231 2.233 10 0 in-vivo BEAERN O=Cc1cc(-n2ccnc2)nc2ccccc12 ZINC000197448626 397989105 /nfs/dbraw/zinc/98/91/05/397989105.db2.gz DJZMDHATIHIYHL-UHFFFAOYSA-N 0 0 223.235 2.233 10 0 BEAERN C[C@@H](C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000584593991 398077061 /nfs/dbraw/zinc/07/70/61/398077061.db2.gz NMZRFEAJLDMIDB-LLVKDONJSA-N 0 0 232.327 2.266 10 0 BEAERN CCCCN1OC(CN)=N[C@H]1c1ccccc1 ZINC000584613930 398077894 /nfs/dbraw/zinc/07/78/94/398077894.db2.gz OKPSJLQFICJBLI-CYBMUJFWSA-N 0 0 233.315 2.090 10 0 BEAERN O=c1nc(-c2ccccc2)oc2cnccc12 ZINC000584627491 398080135 /nfs/dbraw/zinc/08/01/35/398080135.db2.gz RYJUAPDGFNROTI-UHFFFAOYSA-N 0 0 224.219 2.250 10 0 BEAERN CC(C)=C[C@]1(C)O[C@H]1C(=O)OC(C)(C)C ZINC000584658077 398081910 /nfs/dbraw/zinc/08/19/10/398081910.db2.gz LDLAKGBXPMPOFQ-CABZTGNLSA-N 0 0 212.289 2.452 10 0 BEAERN CO[C@@]1(C)OC(=O)c2cc(Cl)ccc21 ZINC000584639674 398084025 /nfs/dbraw/zinc/08/40/25/398084025.db2.gz MKXLNRZYEXHSJF-JTQLQIEISA-N 0 0 212.632 2.330 10 0 BEAERN O=C1c2ccccc2O[C@@]1(O)Cc1ccccc1 ZINC000013376423 398087875 /nfs/dbraw/zinc/08/78/75/398087875.db2.gz VKYKBJAXUAMRLH-HNNXBMFYSA-N 0 0 240.258 2.193 10 0 BEAERN CCOc1cc(OC)cc(CC)c1C=O ZINC000575697516 398057915 /nfs/dbraw/zinc/05/79/15/398057915.db2.gz XOWWJMIKPDIXAF-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN C[C@H](NC(=O)C1(C)CC1)[C@@H]1COc2ccccc21 ZINC000128905644 398097809 /nfs/dbraw/zinc/09/78/09/398097809.db2.gz UXXXUEIYLMUPOD-JQWIXIFHSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@H](Oc1cccc(F)c1)C(=O)N[C@H]1C[C@@H]1C ZINC000246229739 398121405 /nfs/dbraw/zinc/12/14/05/398121405.db2.gz TVNMVFXSTJGKKR-AUTRQRHGSA-N 0 0 237.274 2.118 10 0 BEAERN CC(C)CNc1nc(-c2cccnc2)no1 ZINC000053751019 167018803 /nfs/dbraw/zinc/01/88/03/167018803.db2.gz DLQGHEFMYFYVEB-UHFFFAOYSA-N 0 0 218.260 2.200 10 0 BEAERN CC(C)COCC(=O)Nc1ccc(F)cc1N ZINC000019271308 167023723 /nfs/dbraw/zinc/02/37/23/167023723.db2.gz AMXSQRMSUGXBAJ-UHFFFAOYSA-N 0 0 240.278 2.019 10 0 BEAERN CC(C)[NH2+][C@@]1(CO)CCSc2ccccc21 ZINC000038115602 167136789 /nfs/dbraw/zinc/13/67/89/167136789.db2.gz KJMZKCXOXOGNQH-CYBMUJFWSA-N 0 0 237.368 2.368 10 0 BEAERN Cc1ccc(CC(=O)NCC[C@@H]2CCCO2)cc1 ZINC000058667311 487564994 /nfs/dbraw/zinc/56/49/94/487564994.db2.gz ABKZMVSEQSINQP-AWEZNQCLSA-N 0 0 247.338 2.223 10 0 BEAERN CC(C)OC(=O)c1ccc2c(c1)CCN2 ZINC000035220432 167171493 /nfs/dbraw/zinc/17/14/93/167171493.db2.gz AVBNTFGVRIFLET-UHFFFAOYSA-N 0 0 205.257 2.220 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000125838161 322910175 /nfs/dbraw/zinc/91/01/75/322910175.db2.gz KOOJHNJVHOGPNA-IRCOFANPSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)S(=O)(=O)Cc1ccc(Cl)c(N)c1 ZINC000037687144 167317148 /nfs/dbraw/zinc/31/71/48/167317148.db2.gz XWZLXBSBBYXJCK-UHFFFAOYSA-N 0 0 247.747 2.245 10 0 BEAERN CC(C)S(=O)(=O)Nc1cc(N)ccc1Cl ZINC000037657290 167319433 /nfs/dbraw/zinc/31/94/33/167319433.db2.gz GIASVVPJAMHTMG-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN COc1ccccc1[C@@H](O)c1ccncc1 ZINC000037464870 409738909 /nfs/dbraw/zinc/73/89/09/409738909.db2.gz XYPCEJQEJKZAIM-ZDUSSCGKSA-N 0 0 215.252 2.172 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)c2ncccc2N)C[C@@H]1C ZINC000132738160 409779783 /nfs/dbraw/zinc/77/97/83/409779783.db2.gz RHVDRRSBBHBBRU-VWYCJHECSA-N 0 0 247.342 2.218 10 0 BEAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)CCCCO ZINC000215247958 409902833 /nfs/dbraw/zinc/90/28/33/409902833.db2.gz ZZEQYTXKWDYZNU-QWHCGFSZSA-N 0 0 241.375 2.480 10 0 BEAERN Brc1cc([C@@H]2CCCOC2)ncn1 ZINC000072193224 166096077 /nfs/dbraw/zinc/09/60/77/166096077.db2.gz XLOPYCWICKQQDV-SSDOTTSWSA-N 0 0 243.104 2.133 10 0 BEAERN CC(C)SCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000389338678 410175012 /nfs/dbraw/zinc/17/50/12/410175012.db2.gz POBHSITYPGXTLQ-JGPRNRPPSA-N 0 0 227.373 2.290 10 0 BEAERN CCCc1nccnc1NC[C@H]1C[C@@H]1C ZINC000663389677 410176772 /nfs/dbraw/zinc/17/67/72/410176772.db2.gz UGADHEHFUGVGFE-VHSXEESVSA-N 0 0 205.305 2.497 10 0 BEAERN Brc1ccnc(-c2ccoc2)n1 ZINC000044117085 166103361 /nfs/dbraw/zinc/10/33/61/166103361.db2.gz GXHMTPHBVJKQEK-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cn(-c2ccccc2)nn1 ZINC000040435050 166105042 /nfs/dbraw/zinc/10/50/42/166105042.db2.gz IGYBJQSJWJEAFW-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cnc([C@@H]2CCOC2)s1 ZINC000044122112 166105130 /nfs/dbraw/zinc/10/51/30/166105130.db2.gz SAFOVFGXNWFXCM-RXMQYKEDSA-N 0 0 234.118 2.410 10 0 BEAERN CCN(CC)C(=O)[C@H](C)Oc1cccc(O)c1 ZINC000034962421 169758334 /nfs/dbraw/zinc/75/83/34/169758334.db2.gz GMQJMEWNNVTVGG-JTQLQIEISA-N 0 0 237.299 2.028 10 0 BEAERN CCN(CC)C(=O)c1cc(N)c(C)s1 ZINC000040292143 169759987 /nfs/dbraw/zinc/75/99/87/169759987.db2.gz RAUHYUBUSDAWDS-UHFFFAOYSA-N 0 0 212.318 2.121 10 0 BEAERN CC(=O)c1ccc(-n2nnc3cccnc32)cc1 ZINC000169321755 166451841 /nfs/dbraw/zinc/45/18/41/166451841.db2.gz WYQINUYKBGKMRY-UHFFFAOYSA-N 0 0 238.250 2.018 10 0 BEAERN CC(=O)c1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052300369 166477178 /nfs/dbraw/zinc/47/71/78/166477178.db2.gz PBELQLGUMZTIKU-QPUJVOFHSA-N 0 0 232.283 2.419 10 0 BEAERN CC(C)(C)Nc1cc2c(cc1N)OCCO2 ZINC000020584625 166637855 /nfs/dbraw/zinc/63/78/55/166637855.db2.gz MFYGLQRITWNQBR-UHFFFAOYSA-N 0 0 222.288 2.250 10 0 BEAERN CC(C)(C)OC(=O)NCc1ccc(C=O)o1 ZINC000098096008 166663842 /nfs/dbraw/zinc/66/38/42/166663842.db2.gz FFICYFMBXHWYSV-UHFFFAOYSA-N 0 0 225.244 2.117 10 0 BEAERN CC(C)CCNC(=O)c1cc(N)ccc1F ZINC000035651419 166854931 /nfs/dbraw/zinc/85/49/31/166854931.db2.gz FVSPXUUJKWKTMD-UHFFFAOYSA-N 0 0 224.279 2.184 10 0 BEAERN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651124219 410820549 /nfs/dbraw/zinc/82/05/49/410820549.db2.gz CKFHFLRKLCSHPE-MBJXGIAVSA-N 0 0 249.354 2.008 10 0 BEAERN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651124221 410821906 /nfs/dbraw/zinc/82/19/06/410821906.db2.gz CKFHFLRKLCSHPE-XVIXHAIJSA-N 0 0 249.354 2.008 10 0 BEAERN CC(C)COC(=O)c1ccc2c(c1)CCN2 ZINC000019722376 167022476 /nfs/dbraw/zinc/02/24/76/167022476.db2.gz XFWPZMGFRBNUPJ-UHFFFAOYSA-N 0 0 219.284 2.467 10 0 BEAERN CC(C)NC(=O)CCNc1c(F)cccc1F ZINC000054048095 167044314 /nfs/dbraw/zinc/04/43/14/167044314.db2.gz CYMYWRWHJPVZQY-UHFFFAOYSA-N 0 0 242.269 2.291 10 0 BEAERN CC(C)NC(=O)Cn1c2ccccc2[nH]c1=S ZINC000036781953 167065351 /nfs/dbraw/zinc/06/53/51/167065351.db2.gz PEVQGUWUHUTGLX-UHFFFAOYSA-N 0 0 249.339 2.223 10 0 BEAERN CC(C)NC(=O)N1c2ccc(N)cc2C[C@H]1C ZINC000036744400 167071051 /nfs/dbraw/zinc/07/10/51/167071051.db2.gz KJAFMANUPOYHOM-SECBINFHSA-N 0 0 233.315 2.138 10 0 BEAERN CC(C)NC(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000368451331 167071969 /nfs/dbraw/zinc/07/19/69/167071969.db2.gz RFHMGZDZMXCHKT-QWRGUYRKSA-N 0 0 210.321 2.369 10 0 BEAERN CC(C)NC(=O)NCC[C@H]1CNc2ccccc21 ZINC000020209452 167074362 /nfs/dbraw/zinc/07/43/62/167074362.db2.gz UAIXURURPDVDMP-NSHDSACASA-N 0 0 247.342 2.293 10 0 BEAERN CC(C)NC(=O)N[C@@H](C)c1ccc(N)cc1 ZINC000037178827 167075098 /nfs/dbraw/zinc/07/50/98/167075098.db2.gz GVEHYKBPQDDSAR-VIFPVBQESA-N 0 0 221.304 2.037 10 0 BEAERN CC(C)NC(=O)Nc1ccc(Cl)cc1N ZINC000020209089 167076807 /nfs/dbraw/zinc/07/68/07/167076807.db2.gz BMUDXAIBQTZEMR-UHFFFAOYSA-N 0 0 227.695 2.452 10 0 BEAERN CC(C)N[C@H](c1ccco1)c1nccn1C ZINC000037186246 167140720 /nfs/dbraw/zinc/14/07/20/167140720.db2.gz DQJFARSAYPGNAN-LLVKDONJSA-N 0 0 219.288 2.101 10 0 BEAERN CC(C)Nc1ccc(-n2cccn2)nc1 ZINC000037019875 167145348 /nfs/dbraw/zinc/14/53/48/167145348.db2.gz HKLFDGJCZZCQJJ-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)Nc1nc(Cc2ccccc2)no1 ZINC000053750500 167150645 /nfs/dbraw/zinc/15/06/45/167150645.db2.gz DZKOUVSJFFDZDW-UHFFFAOYSA-N 0 0 217.272 2.481 10 0 BEAERN CC(C)Nc1ncnc(Nc2ccccn2)c1N ZINC000040708149 167151691 /nfs/dbraw/zinc/15/16/91/167151691.db2.gz ILAWFIOPDSUPFG-UHFFFAOYSA-N 0 0 244.302 2.018 10 0 BEAERN CC(C)OC(=O)CN(C)Cc1ccc(F)cc1 ZINC000049826129 167159310 /nfs/dbraw/zinc/15/93/10/167159310.db2.gz QRAMKBNUBSGVAN-UHFFFAOYSA-N 0 0 239.290 2.209 10 0 BEAERN CC(C)OC(=O)c1ccc(F)c(F)c1N ZINC000040230887 167171700 /nfs/dbraw/zinc/17/17/00/167171700.db2.gz RCGPHXOOLBVARO-UHFFFAOYSA-N 0 0 215.199 2.112 10 0 BEAERN CC(C)OC(=O)c1cnccc1OC(C)C ZINC000238856408 167174433 /nfs/dbraw/zinc/17/44/33/167174433.db2.gz VZGDGTIJRAXBBD-UHFFFAOYSA-N 0 0 223.272 2.434 10 0 BEAERN CC(C)OCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000122700803 167183027 /nfs/dbraw/zinc/18/30/27/167183027.db2.gz LARPNQLVOUDHCZ-WDEREUQCSA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)OCC(=O)Nc1ccc(Cl)cc1N ZINC000019265053 167192041 /nfs/dbraw/zinc/19/20/41/167192041.db2.gz CQSFLSLJMBJAKA-UHFFFAOYSA-N 0 0 242.706 2.286 10 0 BEAERN CC[NH+](CC)CCn1c(C)cc(C(=O)[O-])c1C ZINC000022166925 169784241 /nfs/dbraw/zinc/78/42/41/169784241.db2.gz MIRXBQLVQPHGOC-UHFFFAOYSA-N 0 0 238.331 2.145 10 0 BEAERN CC(C)Oc1ccc(Cn2nccc2N)cc1 ZINC000037742703 167295597 /nfs/dbraw/zinc/29/55/97/167295597.db2.gz XJDXTMFGDHKEGA-UHFFFAOYSA-N 0 0 231.299 2.301 10 0 BEAERN CC(C)Oc1ccc(NC[C@@H](C)C(N)=O)cc1 ZINC000037227433 167296941 /nfs/dbraw/zinc/29/69/41/167296941.db2.gz GSCRWVGVUZIEQY-SNVBAGLBSA-N 0 0 236.315 2.007 10 0 BEAERN CC(C)Oc1cccc([C@@H](O)Cc2ncc[nH]2)c1 ZINC000061666984 167308451 /nfs/dbraw/zinc/30/84/51/167308451.db2.gz ADOIMIKLLVYUMP-ZDUSSCGKSA-N 0 0 246.310 2.473 10 0 BEAERN CC(C)Oc1nc(N(C)C(C)C)ccc1N ZINC000037066367 167312829 /nfs/dbraw/zinc/31/28/29/167312829.db2.gz NWHYPUGQLMOEOK-UHFFFAOYSA-N 0 0 223.320 2.296 10 0 BEAERN CC(C)Oc1cncc(C=O)c1OC1CC1 ZINC000095723214 167312966 /nfs/dbraw/zinc/31/29/66/167312966.db2.gz QPOSJARHFSZSGA-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1cnc(C=O)c(OC2CC2)c1 ZINC000095720696 167313104 /nfs/dbraw/zinc/31/31/04/167313104.db2.gz DHQXBQPGOSBDEB-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Sc1ccc2c(c1)NC(=O)[C@H]2N ZINC000103080857 167339004 /nfs/dbraw/zinc/33/90/04/167339004.db2.gz FRFXNLAIRLWBRN-JTQLQIEISA-N 0 0 222.313 2.139 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1CCCO ZINC000069688460 167348696 /nfs/dbraw/zinc/34/86/96/167348696.db2.gz ARVMNPYBJPCQQL-VXGBXAGGSA-N 0 0 227.348 2.042 10 0 BEAERN CC(C)[C@@H](C)[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000037931044 167370392 /nfs/dbraw/zinc/37/03/92/167370392.db2.gz CGLWJEXCECBVNP-SECBINFHSA-N 0 0 236.315 2.448 10 0 BEAERN CC(C)[C@@H](C)N(C)c1ncnc(Cl)c1N ZINC000062362809 167371623 /nfs/dbraw/zinc/37/16/23/167371623.db2.gz UQBBAFGJQZLTSG-SSDOTTSWSA-N 0 0 228.727 2.193 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H]1COc2ccccc2C1 ZINC000248293869 167378874 /nfs/dbraw/zinc/37/88/74/167378874.db2.gz VPQVFLWWPVDMBD-DGCLKSJQSA-N 0 0 247.338 2.398 10 0 BEAERN CC(C)[C@@H](C)Nc1cc2c(cc1N)CC(=O)N2 ZINC000035345309 167385575 /nfs/dbraw/zinc/38/55/75/167385575.db2.gz CPMDQANXRYRFFM-MRVPVSSYSA-N 0 0 233.315 2.220 10 0 BEAERN CC(C)[C@@H](C)Nc1ncnc(Cl)c1N ZINC000062362424 167387250 /nfs/dbraw/zinc/38/72/50/167387250.db2.gz DXMIAUWFXOCETQ-ZCFIWIBFSA-N 0 0 214.700 2.169 10 0 BEAERN CCC(=O)NC1(c2ccccc2OC)CC1 ZINC000041532199 410925275 /nfs/dbraw/zinc/92/52/75/410925275.db2.gz SDAOMPFUIGETIN-UHFFFAOYSA-N 0 0 219.284 2.211 10 0 BEAERN O=C1[C@H]2CCCC2=NN1C1CCCCC1 ZINC000104707510 410946834 /nfs/dbraw/zinc/94/68/34/410946834.db2.gz XODGXTAHGQDFHD-JTQLQIEISA-N 0 0 206.289 2.317 10 0 BEAERN CC[NH+](CC)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062750086 169796760 /nfs/dbraw/zinc/79/67/60/169796760.db2.gz BIEIQYHHIFMXIK-WDEREUQCSA-N 0 0 213.321 2.362 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C1(C)CCCCC1 ZINC000399209787 411024432 /nfs/dbraw/zinc/02/44/32/411024432.db2.gz QJBKHAZTQMRVMH-RYUDHWBXSA-N 0 0 239.359 2.329 10 0 BEAERN CC[NH+](CC)[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000037360602 169798277 /nfs/dbraw/zinc/79/82/77/169798277.db2.gz REANAGYDASPAIE-PWSUYJOCSA-N 0 0 213.321 2.362 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C1(C)CCCCC1 ZINC000399209785 411025821 /nfs/dbraw/zinc/02/58/21/411025821.db2.gz QJBKHAZTQMRVMH-NWDGAFQWSA-N 0 0 239.359 2.329 10 0 BEAERN CCCc1cc(C(=O)N[C@@H](C)C(C)C)[nH]n1 ZINC000044225113 411133208 /nfs/dbraw/zinc/13/32/08/411133208.db2.gz CRVAAUMQULLTOP-VIFPVBQESA-N 0 0 223.320 2.137 10 0 BEAERN CC(C)c1ccccc1OCCC(=O)CO ZINC000071524387 167642612 /nfs/dbraw/zinc/64/26/12/167642612.db2.gz SPIIUAVHPDKADZ-UHFFFAOYSA-N 0 0 222.284 2.140 10 0 BEAERN CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044860441 411141298 /nfs/dbraw/zinc/14/12/98/411141298.db2.gz ZVDFEOVJAOCCMX-HTQZYQBOSA-N 0 0 209.211 2.244 10 0 BEAERN CC(C)c1nc(-c2ccc(F)cc2N)n[nH]1 ZINC000041058540 167656363 /nfs/dbraw/zinc/65/63/63/167656363.db2.gz WZZNCVWWUWCANZ-UHFFFAOYSA-N 0 0 220.251 2.316 10 0 BEAERN CCC[C@@H](C)NC(=O)N1CCS[C@@H](C)C1 ZINC000590951569 411123437 /nfs/dbraw/zinc/12/34/37/411123437.db2.gz YYGLUCOOPAKPPH-ZJUUUORDSA-N 0 0 230.377 2.322 10 0 BEAERN CC(C)CCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116115949 411181701 /nfs/dbraw/zinc/18/17/01/411181701.db2.gz KJQXPDFKBAHRHQ-GFCCVEGCSA-N 0 0 249.358 2.172 10 0 BEAERN CO[C@@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116044234 411181842 /nfs/dbraw/zinc/18/18/42/411181842.db2.gz BZPFZEIBMUWXRH-QWRGUYRKSA-N 0 0 237.299 2.368 10 0 BEAERN C[C@@H]1CC[C@@H](C)[NH+]1Cc1ncccc1C(=O)[O-] ZINC000652440738 411243330 /nfs/dbraw/zinc/24/33/30/411243330.db2.gz YKLMFOIPZZSBTM-NXEZZACHSA-N 0 0 234.299 2.153 10 0 BEAERN CCCC[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000062182860 411182760 /nfs/dbraw/zinc/18/27/60/411182760.db2.gz WLENRBFPRMPUFD-UHFFFAOYSA-N 0 0 222.288 2.012 10 0 BEAERN C[C@H](c1ccccc1Cl)S(C)(=O)=O ZINC000058593863 411190861 /nfs/dbraw/zinc/19/08/61/411190861.db2.gz BIHSPBNWEKUNPP-SSDOTTSWSA-N 0 0 218.705 2.446 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000246387019 411205924 /nfs/dbraw/zinc/20/59/24/411205924.db2.gz UXULUHZVLWLCGD-IGJVIKARSA-N 0 0 245.322 2.323 10 0 BEAERN CCC[C@H](C)NC(=O)NCc1cccc(C)n1 ZINC000049242412 411229628 /nfs/dbraw/zinc/22/96/28/411229628.db2.gz OFXYCROMQZIGER-JTQLQIEISA-N 0 0 235.331 2.378 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H]2C[C@H](O)C2(C)C)n1 ZINC000129142089 411232522 /nfs/dbraw/zinc/23/25/22/411232522.db2.gz NPOMNKDVZWIHDN-NEPJUHHUSA-N 0 0 249.358 2.480 10 0 BEAERN CC(F)(F)CC(=O)Nc1cccc(F)n1 ZINC000277464733 167814156 /nfs/dbraw/zinc/81/41/56/167814156.db2.gz LWNGKBDEZOXUMX-UHFFFAOYSA-N 0 0 218.178 2.205 10 0 BEAERN CCN(CC)c1cnc(Br)cn1 ZINC000044117719 169805651 /nfs/dbraw/zinc/80/56/51/169805651.db2.gz FPJSTJXRYOXZJY-UHFFFAOYSA-N 0 0 230.109 2.085 10 0 BEAERN CCN(CC)c1nc2ccccc2c(=O)o1 ZINC000013528665 169805708 /nfs/dbraw/zinc/80/57/08/169805708.db2.gz YUOGOXAGVKDFJT-UHFFFAOYSA-N 0 0 218.256 2.034 10 0 BEAERN CC1(C)CC(=O)CN1C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335148039 167882417 /nfs/dbraw/zinc/88/24/17/167882417.db2.gz KZKBYUGAIQEBIZ-VHSXEESVSA-N 0 0 241.306 2.095 10 0 BEAERN Cc1cnc([C@H](C)NCCO[C@H]2CC2(F)F)o1 ZINC000656684009 411326358 /nfs/dbraw/zinc/32/63/58/411326358.db2.gz RRXDMMDQBHNDRO-IUCAKERBSA-N 0 0 246.257 2.058 10 0 BEAERN c1nc2c(n1C1CCOCC1)CCCC2 ZINC000130483777 411339088 /nfs/dbraw/zinc/33/90/88/411339088.db2.gz DNRDILKKMCHWPC-UHFFFAOYSA-N 0 0 206.289 2.113 10 0 BEAERN CC1(CCNc2ccncc2Cl)OCCO1 ZINC000302175612 168022557 /nfs/dbraw/zinc/02/25/57/168022557.db2.gz WVUSXZVLPSDXSI-UHFFFAOYSA-N 0 0 242.706 2.300 10 0 BEAERN CC1=C(c2nc(-c3ncon3)no2)CCC1 ZINC000329596120 168089239 /nfs/dbraw/zinc/08/92/39/168089239.db2.gz PBEYVMNOBRLYIV-UHFFFAOYSA-N 0 0 218.216 2.077 10 0 BEAERN CC1=CC(C)=C(c2ccccc2)C(O)(O)C1 ZINC000039119165 168093319 /nfs/dbraw/zinc/09/33/19/168093319.db2.gz SJEVCTSHNOUWCP-UHFFFAOYSA-N 0 0 216.280 2.491 10 0 BEAERN CC1=NC(=O)N[C@](C)(c2ccccc2)C1 ZINC000040227569 168126957 /nfs/dbraw/zinc/12/69/57/168126957.db2.gz CGOWCIIVQJIVDZ-LBPRGKRZSA-N 0 0 202.257 2.118 10 0 BEAERN CCOc1ccc(CO)c(OC(F)F)c1C#N ZINC000575639131 411381832 /nfs/dbraw/zinc/38/18/32/411381832.db2.gz OWVMXUIGPDZSTC-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN C[C@@H](c1cccc(N)c1)N1C(=O)CC(C)CC1=O ZINC000061828474 168138613 /nfs/dbraw/zinc/13/86/13/168138613.db2.gz QOVGLAOYLUPFGI-JTQLQIEISA-N 0 0 246.310 2.115 10 0 BEAERN C[C@H](CC(=O)[O-])[N@H+](C)C1CCC(C)CC1 ZINC000042487883 168160242 /nfs/dbraw/zinc/16/02/42/168160242.db2.gz OEKBRCIUQAQCCY-HSOILSAZSA-N 0 0 213.321 2.360 10 0 BEAERN CC1CCC([NH2+]CC2CC2)(C(=O)[O-])CC1 ZINC000037967249 168162638 /nfs/dbraw/zinc/16/26/38/168162638.db2.gz DSXKRTWRIYJBDW-UHFFFAOYSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@H]1CN(C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000127546504 168173849 /nfs/dbraw/zinc/17/38/49/168173849.db2.gz UNSQMTQXTDINCG-TXEJJXNPSA-N 0 0 224.348 2.426 10 0 BEAERN CC1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000019836898 168176351 /nfs/dbraw/zinc/17/63/51/168176351.db2.gz GGAQTXPAHUHFBZ-UHFFFAOYSA-N 0 0 219.284 2.264 10 0 BEAERN CC1CC[NH+]([C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000062749945 168187613 /nfs/dbraw/zinc/18/76/13/168187613.db2.gz RQINSGDKJQGRHO-NEPJUHHUSA-N 0 0 225.332 2.362 10 0 BEAERN CNc1ccc([C@H]2CCCCN2C(N)=O)cc1 ZINC000616615276 411389798 /nfs/dbraw/zinc/38/97/98/411389798.db2.gz ULTVSVMQBQQXCC-GFCCVEGCSA-N 0 0 233.315 2.334 10 0 BEAERN CCC(=O)N(Cc1cccc(N)c1)C(C)C ZINC000035365469 168213159 /nfs/dbraw/zinc/21/31/59/168213159.db2.gz WQQSFYUOOZEZOS-UHFFFAOYSA-N 0 0 220.316 2.416 10 0 BEAERN CCC(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000081613784 168226711 /nfs/dbraw/zinc/22/67/11/168226711.db2.gz PTBXHLUVJXIRSH-LLVKDONJSA-N 0 0 232.327 2.264 10 0 BEAERN CCC(=O)NCCc1cc(CC)ccc1OC ZINC000000018250 168229651 /nfs/dbraw/zinc/22/96/51/168229651.db2.gz MDSMCTKSWZZVTN-UHFFFAOYSA-N 0 0 235.327 2.326 10 0 BEAERN CCC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110441583 168231946 /nfs/dbraw/zinc/23/19/46/168231946.db2.gz ZCHLMGBSCYZROM-RYUDHWBXSA-N 0 0 203.285 2.316 10 0 BEAERN CCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000126368942 168233843 /nfs/dbraw/zinc/23/38/43/168233843.db2.gz WTKCDSVWXRGFGZ-UHFFFAOYSA-N 0 0 221.304 2.024 10 0 BEAERN CCC(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 ZINC000012550100 168236562 /nfs/dbraw/zinc/23/65/62/168236562.db2.gz ZHEQJZSZZIHXBX-LBPRGKRZSA-N 0 0 243.310 2.220 10 0 BEAERN CCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000006263693 168236601 /nfs/dbraw/zinc/23/66/01/168236601.db2.gz GAQVMWPKRCPWTH-VIFPVBQESA-N 0 0 237.299 2.291 10 0 BEAERN CCC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000128826728 168239626 /nfs/dbraw/zinc/23/96/26/168239626.db2.gz HJBTURRSNCZYLY-KOLCDFICSA-N 0 0 219.284 2.077 10 0 BEAERN CCC(=O)Nc1ncnc2oc(C)c(C)c21 ZINC000118200032 168248290 /nfs/dbraw/zinc/24/82/90/168248290.db2.gz FSRUZMKEVVVOSG-UHFFFAOYSA-N 0 0 219.244 2.188 10 0 BEAERN CCC(=O)Oc1ccc2nc(N)sc2c1 ZINC000045237328 168251381 /nfs/dbraw/zinc/25/13/81/168251381.db2.gz ZRIHHYPHUZUDGP-UHFFFAOYSA-N 0 0 222.269 2.194 10 0 BEAERN CCC(=O)[C@@H](C)Cn1nnc2ccccc21 ZINC000005307453 168251424 /nfs/dbraw/zinc/25/14/24/168251424.db2.gz KBPZTFKIKKDMJP-VIFPVBQESA-N 0 0 217.272 2.047 10 0 BEAERN CCC(=O)[C@H](C)CNC(=O)c1ccc(OC)cc1 ZINC000005711064 168251925 /nfs/dbraw/zinc/25/19/25/168251925.db2.gz OTIMCKSOSNNBEJ-SNVBAGLBSA-N 0 0 249.310 2.040 10 0 BEAERN CCC(=O)c1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000054716326 168253438 /nfs/dbraw/zinc/25/34/38/168253438.db2.gz UKWVMUOXDWQRSH-NSHDSACASA-N 0 0 236.315 2.272 10 0 BEAERN CCC(=O)c1cc(Cl)cc(C(=O)OC)c1O ZINC000039612850 168254385 /nfs/dbraw/zinc/25/43/85/168254385.db2.gz HVZAKAOQYKNFST-UHFFFAOYSA-N 0 0 242.658 2.425 10 0 BEAERN CCC(=O)c1c(OC)cc(COC)cc1OC ZINC000098179284 168254663 /nfs/dbraw/zinc/25/46/63/168254663.db2.gz GUYCLNDWQRJPOM-UHFFFAOYSA-N 0 0 238.283 2.443 10 0 BEAERN CCC(Br)(CC)C(=O)OC ZINC000001841262 168260235 /nfs/dbraw/zinc/26/02/35/168260235.db2.gz GYXGJKGWKZTXMX-UHFFFAOYSA-N 0 0 209.083 2.113 10 0 BEAERN CCC(C)(C)C1CCC([NH3+])(C(=O)[O-])CC1 ZINC000019474718 168270603 /nfs/dbraw/zinc/27/06/03/168270603.db2.gz BKSPXIXPHWKCMR-UHFFFAOYSA-N 0 0 213.321 2.395 10 0 BEAERN CCC(C)(C)C(=O)Nc1nnc2cc(C)ccn21 ZINC000121782141 168270704 /nfs/dbraw/zinc/27/07/04/168270704.db2.gz UKNKSTMIEYWSLR-UHFFFAOYSA-N 0 0 246.314 2.412 10 0 BEAERN CCC(C)(C)CNc1nccnc1N(C)C ZINC000302811752 168282197 /nfs/dbraw/zinc/28/21/97/168282197.db2.gz YXYFLOVIPHDAPG-UHFFFAOYSA-N 0 0 222.336 2.391 10 0 BEAERN CCC(C)(C)NC(=O)c1sccc1N ZINC000040292106 168298267 /nfs/dbraw/zinc/29/82/67/168298267.db2.gz HSCMQLXXMKCDPL-UHFFFAOYSA-N 0 0 212.318 2.249 10 0 BEAERN CCC(C)(C)Nc1cc(Cl)nc(N)n1 ZINC000059376241 168302941 /nfs/dbraw/zinc/30/29/41/168302941.db2.gz HFAXUOIQWVFERE-UHFFFAOYSA-N 0 0 214.700 2.313 10 0 BEAERN CCC(C)(C)Nc1nc(C)cc(OC)n1 ZINC000124331950 168303509 /nfs/dbraw/zinc/30/35/09/168303509.db2.gz LHOKLPBLBWHDSK-UHFFFAOYSA-N 0 0 209.293 2.394 10 0 BEAERN CCC(C)(CC)NC(=O)NC[C@]1(C)CCCO1 ZINC000121325436 168308208 /nfs/dbraw/zinc/30/82/08/168308208.db2.gz AGVDAVFSYLGDTC-ZDUSSCGKSA-N 0 0 242.363 2.433 10 0 BEAERN CC(C)[C@](C)(O)Cn1nccc1-c1cccnc1 ZINC000185031303 411399567 /nfs/dbraw/zinc/39/95/67/411399567.db2.gz NKUDKWZOBGOKFM-CQSZACIVSA-N 0 0 245.326 2.352 10 0 BEAERN CC(=O)N1CCCOC[C@@H]1c1ccccc1F ZINC000616648289 411410788 /nfs/dbraw/zinc/41/07/88/411410788.db2.gz KYMFQEBVQHSCEM-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1ccnnc1 ZINC000616683762 411414931 /nfs/dbraw/zinc/41/49/31/411414931.db2.gz QQZZYNIJTOHLPM-AWEZNQCLSA-N 0 0 240.310 2.470 10 0 BEAERN CCN(CCn1ccc(N)n1)c1ccccc1C ZINC000071377824 169878128 /nfs/dbraw/zinc/87/81/28/169878128.db2.gz HLDFQZRKGWHUCX-UHFFFAOYSA-N 0 0 244.342 2.300 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H](C)C[C@@H](C)O)n1 ZINC000122512339 411433782 /nfs/dbraw/zinc/43/37/82/411433782.db2.gz YKWJHOZOUBEXSN-MWLCHTKSSA-N 0 0 237.347 2.480 10 0 BEAERN C/C=C/C=C/CC1=C(C[C@H](C)O)C(=O)OC1 ZINC000015267655 411433954 /nfs/dbraw/zinc/43/39/54/411433954.db2.gz KELRJXQJITUJOU-POOPIXKXSA-N 0 0 222.284 2.133 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000122505337 411434303 /nfs/dbraw/zinc/43/43/03/411434303.db2.gz AMSXZPOTGBNRSS-GHMZBOCLSA-N 0 0 235.331 2.498 10 0 BEAERN CCCN(CCO)c1nc(C)cc(C(C)C)n1 ZINC000122626265 411435241 /nfs/dbraw/zinc/43/52/41/411435241.db2.gz ICGPPKVGYMXWIV-UHFFFAOYSA-N 0 0 237.347 2.117 10 0 BEAERN CCC1(COC(=S)SC)COCOC1 ZINC000002243765 411437426 /nfs/dbraw/zinc/43/74/26/411437426.db2.gz IFUPIHLFWCNWFD-UHFFFAOYSA-N 0 0 236.358 2.052 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1n[nH]c2c1CCCC2 ZINC000126680882 411451470 /nfs/dbraw/zinc/45/14/70/411451470.db2.gz XGCXRENVKCPWNH-SECBINFHSA-N 0 0 235.331 2.063 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1n[nH]c2c1CCCC2 ZINC000126681149 411452228 /nfs/dbraw/zinc/45/22/28/411452228.db2.gz XGCXRENVKCPWNH-VIFPVBQESA-N 0 0 235.331 2.063 10 0 BEAERN CCC(CC)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000127202661 411474749 /nfs/dbraw/zinc/47/47/49/411474749.db2.gz XJOSGGASOXKLOJ-ONGXEEELSA-N 0 0 213.321 2.106 10 0 BEAERN CCN(c1c(C=O)c(C)nn1C)C1CCCC1 ZINC000035766556 169941529 /nfs/dbraw/zinc/94/15/29/169941529.db2.gz LCWFPYJCGZADFJ-UHFFFAOYSA-N 0 0 235.331 2.310 10 0 BEAERN CCN1Cc2c(ccc(OC)c2Cl)C1=O ZINC000089210987 170041123 /nfs/dbraw/zinc/04/11/23/170041123.db2.gz AZEOYSHAMHFFQW-UHFFFAOYSA-N 0 0 225.675 2.324 10 0 BEAERN CCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005716099 170067203 /nfs/dbraw/zinc/06/72/03/170067203.db2.gz SWLZIVUAJRDELF-UHFFFAOYSA-N 0 0 235.327 2.499 10 0 BEAERN CCNC(=O)Nc1c(N)cccc1Cl ZINC000050352886 170083680 /nfs/dbraw/zinc/08/36/80/170083680.db2.gz CXFWYMKYJCVXCM-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN CCNC(=O)Nc1cc(N)ccc1N1CCCC1 ZINC000049455999 170084706 /nfs/dbraw/zinc/08/47/06/170084706.db2.gz SSVKWKBMBACQCL-UHFFFAOYSA-N 0 0 248.330 2.010 10 0 BEAERN CCNC(=O)Nc1nc2ccc(N)cc2s1 ZINC000036949193 170085381 /nfs/dbraw/zinc/08/53/81/170085381.db2.gz PNSLWDAIUJZNEV-UHFFFAOYSA-N 0 0 236.300 2.020 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(C)ccc1F ZINC000020360160 170089373 /nfs/dbraw/zinc/08/93/73/170089373.db2.gz GOTVMUSHANOEDC-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000019488474 170093000 /nfs/dbraw/zinc/09/30/00/170093000.db2.gz WJTOLXVWWOKPJN-GXSJLCMTSA-N 0 0 218.300 2.110 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061095991 170096432 /nfs/dbraw/zinc/09/64/32/170096432.db2.gz IGFZSFGPCNVPFB-LURJTMIESA-N 0 0 246.232 2.040 10 0 BEAERN CCNC(=O)c1cc(NCC2CCC2)ccn1 ZINC000035674085 170100686 /nfs/dbraw/zinc/10/06/86/170100686.db2.gz DYZKXWJVGJNKKZ-UHFFFAOYSA-N 0 0 233.315 2.043 10 0 BEAERN CCNC(=O)c1cc(NC2CCCC2)ccn1 ZINC000035673948 170100938 /nfs/dbraw/zinc/10/09/38/170100938.db2.gz SJRWCUBSBZDIOL-UHFFFAOYSA-N 0 0 233.315 2.186 10 0 BEAERN CCNC(=O)c1ccc(NC)c(C(F)(F)F)c1 ZINC000050725999 170102125 /nfs/dbraw/zinc/10/21/25/170102125.db2.gz XFKLCJAYWNLVOD-UHFFFAOYSA-N 0 0 246.232 2.497 10 0 BEAERN CCN[C@H](c1nnc(C)o1)c1ccccc1 ZINC000050618088 170148673 /nfs/dbraw/zinc/14/86/73/170148673.db2.gz LUTUGJVPRMOPRA-NSHDSACASA-N 0 0 217.272 2.077 10 0 BEAERN CCN[C@@H](c1cccc(F)c1)c1ncccn1 ZINC000037536330 170148690 /nfs/dbraw/zinc/14/86/90/170148690.db2.gz WWJRKVHDYVRHQH-LBPRGKRZSA-N 0 0 231.274 2.315 10 0 BEAERN CC[NH2+][C@@]1(C(=O)[O-])C[C@H](C)CC(C)(C)C1 ZINC000037181622 170154881 /nfs/dbraw/zinc/15/48/81/170154881.db2.gz HUBYCANCIPUNHQ-SKDRFNHKSA-N 0 0 213.321 2.266 10 0 BEAERN CC[NH2+][C@@]1(C(=O)[O-])C[C@@H](C)CC(C)(C)C1 ZINC000037181626 170154965 /nfs/dbraw/zinc/15/49/65/170154965.db2.gz HUBYCANCIPUNHQ-CABZTGNLSA-N 0 0 213.321 2.266 10 0 BEAERN CC[NH2+][C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000037181467 170155395 /nfs/dbraw/zinc/15/53/95/170155395.db2.gz AJNKHTGNNJPKDB-LLVKDONJSA-N 0 0 227.691 2.249 10 0 BEAERN CCN[C@@]1(C(=O)OC)C[C@H](C)CC(C)(C)C1 ZINC000037446813 170156193 /nfs/dbraw/zinc/15/61/93/170156193.db2.gz XKYGWQYMCXBNBN-MFKMUULPSA-N 0 0 227.348 2.354 10 0 BEAERN CCN[C@](C)(C(=O)OC)c1cc(C)ccc1C ZINC000037446688 170170289 /nfs/dbraw/zinc/17/02/89/170170289.db2.gz RGIYHBOPNMSLFC-AWEZNQCLSA-N 0 0 235.327 2.301 10 0 BEAERN CCN[C@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000037446682 170170800 /nfs/dbraw/zinc/17/08/00/170170800.db2.gz BKPNIPJKVUDJRB-AWEZNQCLSA-N 0 0 235.327 2.301 10 0 BEAERN CCNc1cc(C(C)C)nc(-c2cnn(C)c2)n1 ZINC000050865329 170171142 /nfs/dbraw/zinc/17/11/42/170171142.db2.gz LHABFYAGSRBMNI-UHFFFAOYSA-N 0 0 245.330 2.432 10 0 BEAERN CCNc1cc(C(=O)N2C[C@@H]3CC[C@H]2C3)ccn1 ZINC000050778453 170171550 /nfs/dbraw/zinc/17/15/50/170171550.db2.gz BCOLKFGGAUKAQH-PWSUYJOCSA-N 0 0 245.326 2.138 10 0 BEAERN CCNc1cc(Cl)ccc1C(N)=S ZINC000062787881 170172454 /nfs/dbraw/zinc/17/24/54/170172454.db2.gz IWPJNWWCOPESOS-UHFFFAOYSA-N 0 0 214.721 2.406 10 0 BEAERN CCNc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000037030932 170172838 /nfs/dbraw/zinc/17/28/38/170172838.db2.gz GHGCCNAYOILNNK-UHFFFAOYSA-N 0 0 203.245 2.214 10 0 BEAERN CCNc1cc(OCC(C)C)nc(COC)n1 ZINC000082492050 170172888 /nfs/dbraw/zinc/17/28/88/170172888.db2.gz ONLWVEYMRCYVQP-UHFFFAOYSA-N 0 0 239.319 2.090 10 0 BEAERN CCNc1cc(Cn2ccnc2C)ccn1 ZINC000052732168 170172928 /nfs/dbraw/zinc/17/29/28/170172928.db2.gz FMDDRBJIFIOFCG-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCNc1ccc(-c2nnnn2C2CC2)cc1 ZINC000062796968 170172953 /nfs/dbraw/zinc/17/29/53/170172953.db2.gz ZVCKPVILAQOIAE-UHFFFAOYSA-N 0 0 229.287 2.107 10 0 BEAERN CCNc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000052303333 170173233 /nfs/dbraw/zinc/17/32/33/170173233.db2.gz OBXKJGYSXBCFHH-BXKDBHETSA-N 0 0 218.300 2.257 10 0 BEAERN CCNc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000052303330 170173921 /nfs/dbraw/zinc/17/39/21/170173921.db2.gz OBXKJGYSXBCFHH-CABZTGNLSA-N 0 0 218.300 2.257 10 0 BEAERN CCNc1ccc(Cl)c(C(=O)NC2CC2)n1 ZINC000050725532 170173934 /nfs/dbraw/zinc/17/39/34/170173934.db2.gz QCQAEFUKLWAQFM-UHFFFAOYSA-N 0 0 239.706 2.059 10 0 BEAERN CCNc1ccc(Cn2cncn2)c(C)c1 ZINC000005312176 170174092 /nfs/dbraw/zinc/17/40/92/170174092.db2.gz KTRKYGAYSVHXHT-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCNc1ccnc(Cc2nc(C)cs2)n1 ZINC000055269837 170175118 /nfs/dbraw/zinc/17/51/18/170175118.db2.gz QKUPGOXFPRNQPG-UHFFFAOYSA-N 0 0 234.328 2.264 10 0 BEAERN CCNc1nc(CO)nc2sc(C)c(C)c21 ZINC000050832818 170175947 /nfs/dbraw/zinc/17/59/47/170175947.db2.gz CSNNCRSYZZPRNA-UHFFFAOYSA-N 0 0 237.328 2.232 10 0 BEAERN CCNc1nc([C@@H]2CCOC2)nc(C)c1CC ZINC000051691593 170176778 /nfs/dbraw/zinc/17/67/78/170176778.db2.gz LSXWRTDWAGXGPJ-SNVBAGLBSA-N 0 0 235.331 2.283 10 0 BEAERN CCNc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000054527167 170176973 /nfs/dbraw/zinc/17/69/73/170176973.db2.gz HUGCAHQHVIUBCS-UHFFFAOYSA-N 0 0 220.272 2.090 10 0 BEAERN CCNc1ncccc1C(=O)N[C@H]1CCC[C@H]1C ZINC000104152074 170178320 /nfs/dbraw/zinc/17/83/20/170178320.db2.gz LGUBPEYSGALGGE-PWSUYJOCSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1ncccc1C(=O)NC(C)(C)C ZINC000050724740 170178369 /nfs/dbraw/zinc/17/83/69/170178369.db2.gz LNPBWYXQGDGQSH-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCNc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040707385 170178457 /nfs/dbraw/zinc/17/84/57/170178457.db2.gz RWMDVLOADKTARV-UHFFFAOYSA-N 0 0 247.277 2.373 10 0 BEAERN CCOC(=N)[C@H](O)c1cc(F)ccc1C ZINC000141092897 170179934 /nfs/dbraw/zinc/17/99/34/170179934.db2.gz QFHYFFLSAZPIGT-SNVBAGLBSA-N 0 0 211.236 2.181 10 0 BEAERN CCOC(=N)[C@H](O)c1c(F)cccc1F ZINC000039135035 170180494 /nfs/dbraw/zinc/18/04/94/170180494.db2.gz QHDLAILXXBEEPB-SECBINFHSA-N 0 0 215.199 2.012 10 0 BEAERN CCOC(=O)C(C(=O)OCC)[C@H]1C=CCCC1 ZINC000005574372 170185486 /nfs/dbraw/zinc/18/54/86/170185486.db2.gz QAPHYQDNTJEPAD-JTQLQIEISA-N 0 0 240.299 2.085 10 0 BEAERN CCOC(=O)C(C)(C)Nc1ccccc1OC ZINC000037961661 170187858 /nfs/dbraw/zinc/18/78/58/170187858.db2.gz LFYOHKHCRLTGQU-UHFFFAOYSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)C1(NCC2CC2)CCC(C)CC1 ZINC000037968068 170190947 /nfs/dbraw/zinc/19/09/47/170190947.db2.gz YXTJLMBSVZKTQU-UHFFFAOYSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)CC1=CC[C@@H](C(=O)OCC)CC1 ZINC000095091737 170198242 /nfs/dbraw/zinc/19/82/42/170198242.db2.gz MKWUMZAFGNGUAU-LLVKDONJSA-N 0 0 240.299 2.229 10 0 BEAERN CCOC(=O)C[C@@H](C)c1ccc(O)cc1 ZINC000146332129 170230973 /nfs/dbraw/zinc/23/09/73/170230973.db2.gz VRDBGARLKWLHGR-SECBINFHSA-N 0 0 208.257 2.449 10 0 BEAERN CCOC(=O)C[C@H]1Cc2ccc(OC)cc2C1 ZINC000091297236 170234634 /nfs/dbraw/zinc/23/46/34/170234634.db2.gz IHAWUOQWFRVIKZ-JTQLQIEISA-N 0 0 234.295 2.363 10 0 BEAERN CCOC(=O)Cc1c(C)ccnc1Cl ZINC000095763962 170234698 /nfs/dbraw/zinc/23/46/98/170234698.db2.gz PHUCYIPMSNVKGX-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1cc2ccccc2cn1 ZINC000144435345 170235241 /nfs/dbraw/zinc/23/52/41/170235241.db2.gz OKJLVESDSBKESP-UHFFFAOYSA-N 0 0 215.252 2.340 10 0 BEAERN CCOC(=O)Cc1ccc(OC(F)(F)F)cn1 ZINC000095760860 170236284 /nfs/dbraw/zinc/23/62/84/170236284.db2.gz KKVWHTZLFNEPTJ-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN CCOC(=O)Cc1nccc(Cl)c1C ZINC000095763974 170237162 /nfs/dbraw/zinc/23/71/62/170237162.db2.gz MJRAAFPYMYSGIY-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)N(C)c1ccccc1C(=O)OC ZINC000035176627 170237574 /nfs/dbraw/zinc/23/75/74/170237574.db2.gz VTVLUMGAXTVWSM-UHFFFAOYSA-N 0 0 237.255 2.066 10 0 BEAERN CCOC(=O)N(C)CCOc1ccccc1 ZINC000070237208 170237707 /nfs/dbraw/zinc/23/77/07/170237707.db2.gz MAYRMVJHGBSJQA-UHFFFAOYSA-N 0 0 223.272 2.154 10 0 BEAERN CCOC(=O)N(C)Cc1cccc(F)c1 ZINC000070237220 170237860 /nfs/dbraw/zinc/23/78/60/170237860.db2.gz TXSWSFQMNBDSLX-UHFFFAOYSA-N 0 0 211.236 2.414 10 0 BEAERN CCOC(=O)N[C@H](C)c1ccc(N)cc1 ZINC000037178844 170243152 /nfs/dbraw/zinc/24/31/52/170243152.db2.gz WFJHNRYTVHNJOO-MRVPVSSYSA-N 0 0 208.261 2.076 10 0 BEAERN CCOC(=O)[C@@H](N)Cc1ccc2ccccc2c1 ZINC000033631675 170253956 /nfs/dbraw/zinc/25/39/56/170253956.db2.gz WMWUVPBDJARXRB-AWEZNQCLSA-N 0 0 243.306 2.273 10 0 BEAERN CCOC(=O)[C@@H](N)c1ccc(Cl)c(F)c1 ZINC000049808681 170254747 /nfs/dbraw/zinc/25/47/47/170254747.db2.gz SAEQJTISUUDSCS-VIFPVBQESA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)[C@H](C)CC1CCOCC1 ZINC000095829236 170264128 /nfs/dbraw/zinc/26/41/28/170264128.db2.gz CQSBWIZPUJXIKT-SECBINFHSA-N 0 0 200.278 2.002 10 0 BEAERN CCOC(=O)[C@H](CC)C(=O)Cc1ccccc1 ZINC000034614092 170271314 /nfs/dbraw/zinc/27/13/14/170271314.db2.gz IMSSDDKOLKKRAW-GFCCVEGCSA-N 0 0 234.295 2.388 10 0 BEAERN CCOC(=O)[C@H](CC)CC(OCC)OCC ZINC000074942449 170272124 /nfs/dbraw/zinc/27/21/24/170272124.db2.gz PMCCDXCFKJPNRD-SNVBAGLBSA-N 0 0 232.320 2.365 10 0 BEAERN CCOC(=O)[C@H](CC)C1(O)CCCCC1 ZINC000005921952 170272202 /nfs/dbraw/zinc/27/22/02/170272202.db2.gz CPCOUDFALHSPMH-JTQLQIEISA-N 0 0 214.305 2.271 10 0 BEAERN CCOC(=O)[C@H](N)c1c(F)cccc1Cl ZINC000033734782 170274880 /nfs/dbraw/zinc/27/48/80/170274880.db2.gz UODQUDLEPFWQSA-SECBINFHSA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)C1=C(O)CC[C@H](C(C)C)C1 ZINC000054556967 170282228 /nfs/dbraw/zinc/28/22/28/170282228.db2.gz BSEGZDIJFOLZPJ-UWVGGRQHSA-N 0 0 212.289 2.191 10 0 BEAERN CCOC(=O)[C@](C)(NC)c1ccc(C)c(C)c1 ZINC000037458727 170283530 /nfs/dbraw/zinc/28/35/30/170283530.db2.gz LQDVSHSDAZDGFG-CQSZACIVSA-N 0 0 235.327 2.301 10 0 BEAERN CCOC(=O)[C@](O)(CC)c1ccc(CC)cc1 ZINC000050975922 170285935 /nfs/dbraw/zinc/28/59/35/170285935.db2.gz PJNDTTWCYGYCJY-AWEZNQCLSA-N 0 0 236.311 2.410 10 0 BEAERN CCOC(=O)c1c2c(sc1NC)CCC2 ZINC000062790329 170289358 /nfs/dbraw/zinc/28/93/58/170289358.db2.gz WVVFHXWNSLSIIS-UHFFFAOYSA-N 0 0 225.313 2.455 10 0 BEAERN CCOC(=O)c1cc(=O)c2cc(C)ccc2o1 ZINC000003602773 170290805 /nfs/dbraw/zinc/29/08/05/170290805.db2.gz OUPTVBRQLKDPCJ-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN CCOC(=O)c1cc(N)ccc1N[C@@H]1C[C@@H]1C ZINC000052300253 170292577 /nfs/dbraw/zinc/29/25/77/170292577.db2.gz ICCIBYAEMZRMBN-QPUJVOFHSA-N 0 0 234.299 2.266 10 0 BEAERN CCOC(=O)c1cc(O)c2c(O)cccc2c1 ZINC000013335471 170293070 /nfs/dbraw/zinc/29/30/70/170293070.db2.gz YQFUTDWACFTRFS-UHFFFAOYSA-N 0 0 232.235 2.428 10 0 BEAERN CCOC(=O)c1ccc(-n2ccnc2CC)nc1 ZINC000104289605 170294814 /nfs/dbraw/zinc/29/48/14/170294814.db2.gz ACHIJNFOWBQXFH-UHFFFAOYSA-N 0 0 245.282 2.006 10 0 BEAERN CCOC(=O)c1ccc(N)c(OCC(C)C)c1 ZINC000036226020 170296299 /nfs/dbraw/zinc/29/62/99/170296299.db2.gz GPEIMRLRUNRALA-UHFFFAOYSA-N 0 0 237.299 2.480 10 0 BEAERN CCOC(=O)c1ccc(OC(F)(F)F)cn1 ZINC000215771538 170296830 /nfs/dbraw/zinc/29/68/30/170296830.db2.gz YLVIKQRKRHVAIM-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN CCOC(=O)c1ccc(Nc2ncccn2)cc1 ZINC000095830702 170296936 /nfs/dbraw/zinc/29/69/36/170296936.db2.gz QZNMTAJPWIVICE-UHFFFAOYSA-N 0 0 243.266 2.397 10 0 BEAERN CCOC(=O)c1ccc2c(c1)NCCS2 ZINC000095884100 170297778 /nfs/dbraw/zinc/29/77/78/170297778.db2.gz WEBVPJXZRILETE-UHFFFAOYSA-N 0 0 223.297 2.381 10 0 BEAERN CCOC(=O)c1ccc2c(c1N)CCCC2 ZINC000037475448 170297920 /nfs/dbraw/zinc/29/79/20/170297920.db2.gz DVGAEENPRGDCBC-UHFFFAOYSA-N 0 0 219.284 2.324 10 0 BEAERN CCOC(=O)c1ccc2cc(C)cn2c1 ZINC000032220362 170297957 /nfs/dbraw/zinc/29/79/57/170297957.db2.gz ZABPHXXMYIIXDW-UHFFFAOYSA-N 0 0 203.241 2.424 10 0 BEAERN CCOC(=O)c1ccn2c(cc(C)c2C=O)c1 ZINC000039193201 170300670 /nfs/dbraw/zinc/30/06/70/170300670.db2.gz VAEAVVSZRPAFPF-UHFFFAOYSA-N 0 0 231.251 2.237 10 0 BEAERN CCOC(=O)c1cnc(Cl)c(F)c1 ZINC000047203084 170301952 /nfs/dbraw/zinc/30/19/52/170301952.db2.gz XZVMOGBJMVPVDP-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1cnn(-c2cccc(F)c2)c1 ZINC000072190606 170303080 /nfs/dbraw/zinc/30/30/80/170303080.db2.gz ODJLLGNVSOVCLZ-UHFFFAOYSA-N 0 0 234.230 2.188 10 0 BEAERN CCOC(=O)c1nccn1-c1ccccc1 ZINC000095936072 170308495 /nfs/dbraw/zinc/30/84/95/170308495.db2.gz FMEWHHFNVCTQJT-UHFFFAOYSA-N 0 0 216.240 2.049 10 0 BEAERN CCOC(=O)c1nn(C(C)C)c(Cl)c1C=O ZINC000098177683 170309210 /nfs/dbraw/zinc/30/92/10/170309210.db2.gz YTWZRWYHZOYHER-UHFFFAOYSA-N 0 0 244.678 2.107 10 0 BEAERN CCOC(=O)c1oc2c(cc(F)cc2F)c1N ZINC000096029071 170309453 /nfs/dbraw/zinc/30/94/53/170309453.db2.gz XHCXGGGGIMJOCO-UHFFFAOYSA-N 0 0 241.193 2.470 10 0 BEAERN CCOC(=O)c1sccc1OCC ZINC000039098943 170310831 /nfs/dbraw/zinc/31/08/31/170310831.db2.gz IVRSHMKAWVAAGT-UHFFFAOYSA-N 0 0 200.259 2.324 10 0 BEAERN CCOC(=O)n1ccc2ccc(F)nc21 ZINC000095937097 170311923 /nfs/dbraw/zinc/31/19/23/170311923.db2.gz AQWZOKHXSFTHOI-UHFFFAOYSA-N 0 0 208.192 2.180 10 0 BEAERN CCOC(OCC)c1cn(-c2ccccc2)nn1 ZINC000029127743 170317083 /nfs/dbraw/zinc/31/70/83/170317083.db2.gz KMJRSCLJOQTZTA-UHFFFAOYSA-N 0 0 247.298 2.339 10 0 BEAERN CCOC1=CC(=O)Nc2ccccc2C1 ZINC000039099201 170319752 /nfs/dbraw/zinc/31/97/52/170319752.db2.gz FMQNKWCWDJHOCZ-UHFFFAOYSA-N 0 0 203.241 2.102 10 0 BEAERN CCOC1=CC(=O)Oc2ccccc2C1 ZINC000034415300 170320292 /nfs/dbraw/zinc/32/02/92/170320292.db2.gz OEFXMXAQWZPQHZ-UHFFFAOYSA-N 0 0 204.225 2.069 10 0 BEAERN CCOC1=NC(=O)C[C@H]2C(C)=CCC[C@@H]12 ZINC000039099541 170320877 /nfs/dbraw/zinc/32/08/77/170320877.db2.gz XPGHVQAQJLBFDH-ZJUUUORDSA-N 0 0 207.273 2.324 10 0 BEAERN CCOC1=NC(=O)C[C@@H]2C(C)=CCC[C@@H]12 ZINC000256011547 170320958 /nfs/dbraw/zinc/32/09/58/170320958.db2.gz XPGHVQAQJLBFDH-NXEZZACHSA-N 0 0 207.273 2.324 10 0 BEAERN CCOCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000170840227 170362126 /nfs/dbraw/zinc/36/21/26/170362126.db2.gz VADCREOYBGYVMB-GFCCVEGCSA-N 0 0 249.310 2.053 10 0 BEAERN CCOCCCCNc1cc(C)c(C)nn1 ZINC000302823231 170370338 /nfs/dbraw/zinc/37/03/38/170370338.db2.gz URPYWBPOTDDSKJ-UHFFFAOYSA-N 0 0 223.320 2.322 10 0 BEAERN CCOCCN(CC)C(=O)CCCSC ZINC000120357961 170392956 /nfs/dbraw/zinc/39/29/56/170392956.db2.gz AYAPYJWBAHIBEU-UHFFFAOYSA-N 0 0 233.377 2.015 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCC[C@@H](O)C1 ZINC000663393108 411645796 /nfs/dbraw/zinc/64/57/96/411645796.db2.gz FIQHEMRDKIXCMB-GHMZBOCLSA-N 0 0 235.331 2.145 10 0 BEAERN COCc1nc(CNCC2=CCCC2)cs1 ZINC000657749993 411592811 /nfs/dbraw/zinc/59/28/11/411592811.db2.gz WNNPOJLMRHOXIX-UHFFFAOYSA-N 0 0 238.356 2.489 10 0 BEAERN CCOCc1csc([C@H](C)COC)n1 ZINC000185926801 170458770 /nfs/dbraw/zinc/45/87/70/170458770.db2.gz AZJKSQUXKBBHSK-MRVPVSSYSA-N 0 0 215.318 2.430 10 0 BEAERN CCOCc1nc(NC)ccc1Cl ZINC000061639894 170460380 /nfs/dbraw/zinc/46/03/80/170460380.db2.gz NFNCXUFFBBLJCW-UHFFFAOYSA-N 0 0 200.669 2.313 10 0 BEAERN CCO[C@@H](C)c1nc(-c2ccc(OC)nc2)no1 ZINC000109591269 170476606 /nfs/dbraw/zinc/47/66/06/170476606.db2.gz ZXZHNNIJCRBDRE-QMMMGPOBSA-N 0 0 249.270 2.238 10 0 BEAERN CCO[C@H]1C=CC(c2ccccc2)=NO1 ZINC000034590230 170504669 /nfs/dbraw/zinc/50/46/69/170504669.db2.gz SPUCSHYJLIWXBM-GFCCVEGCSA-N 0 0 203.241 2.340 10 0 BEAERN CCOc1ccc(O[C@H](C)[C@H](C)O)cc1 ZINC000044194455 170556795 /nfs/dbraw/zinc/55/67/95/170556795.db2.gz DAIGYRCKHLCKGR-VHSXEESVSA-N 0 0 210.273 2.233 10 0 BEAERN CCCc1nccnc1N(C)CC1(O)CCCC1 ZINC000663740858 411736629 /nfs/dbraw/zinc/73/66/29/411736629.db2.gz HRBSKMHXNFBHHO-UHFFFAOYSA-N 0 0 249.358 2.170 10 0 BEAERN CCOc1cccc2cc(CC)c(=NN)[nH]c21 ZINC000011634064 170588335 /nfs/dbraw/zinc/58/83/35/170588335.db2.gz OGLIJLHZRMSBLB-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN CCOc1ccccc1NCCCC(=O)OC ZINC000037286454 170594615 /nfs/dbraw/zinc/59/46/15/170594615.db2.gz RNBVVKKDEBJPDS-UHFFFAOYSA-N 0 0 237.299 2.450 10 0 BEAERN CCOc1ncnc(NC2CCCCC2)c1N ZINC000040708673 170605470 /nfs/dbraw/zinc/60/54/70/170605470.db2.gz IRDJVVUKWQPJTJ-UHFFFAOYSA-N 0 0 236.319 2.202 10 0 BEAERN CCCc1nccnc1NC[C@@H](C)CCCO ZINC000663954378 411789788 /nfs/dbraw/zinc/78/97/88/411789788.db2.gz ZPICTQFZKKPPIG-NSHDSACASA-N 0 0 237.347 2.250 10 0 BEAERN CC[C@@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000058728145 170682274 /nfs/dbraw/zinc/68/22/74/170682274.db2.gz UADUCRMAAADTAY-MWLCHTKSSA-N 0 0 219.284 2.282 10 0 BEAERN CC[C@@H](C)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000019390398 170683107 /nfs/dbraw/zinc/68/31/07/170683107.db2.gz HJVYJFCNGVOOJL-ZYHUDNBSSA-N 0 0 232.327 2.186 10 0 BEAERN CC[C@@H](C)CN1c2cc(F)ccc2C(=O)C1=O ZINC000050425262 170703020 /nfs/dbraw/zinc/70/30/20/170703020.db2.gz SIFYKOPWRUZQMR-MRVPVSSYSA-N 0 0 235.258 2.401 10 0 BEAERN CC[C@@H](C)CNC(=O)c1cc(C)ccc1N ZINC000054492384 170706084 /nfs/dbraw/zinc/70/60/84/170706084.db2.gz CWMDZGLAXRFDIJ-SECBINFHSA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@@H](C)N(C)C(=O)c1ccc2c[nH]nc2c1 ZINC000061670244 170721995 /nfs/dbraw/zinc/72/19/95/170721995.db2.gz YMWWFZRYYRUYHN-SECBINFHSA-N 0 0 231.299 2.433 10 0 BEAERN Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000664056818 411832608 /nfs/dbraw/zinc/83/26/08/411832608.db2.gz URKLLNBSJHFMLY-HBNTYKKESA-N 0 0 203.289 2.386 10 0 BEAERN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1O ZINC000036896781 170745267 /nfs/dbraw/zinc/74/52/67/170745267.db2.gz GAGXPHRXJFPLOO-NXEZZACHSA-N 0 0 237.299 2.074 10 0 BEAERN COC(=O)[C@H](C)c1cc(N)nc2ccccc21 ZINC000606303164 411849823 /nfs/dbraw/zinc/84/98/23/411849823.db2.gz PFYIHEDILXCMMA-MRVPVSSYSA-N 0 0 230.267 2.094 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(C)ccc1N ZINC000050201095 170748149 /nfs/dbraw/zinc/74/81/49/170748149.db2.gz RNNGPWCEILGMBM-SECBINFHSA-N 0 0 206.289 2.106 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1ccnc(N)c1 ZINC000616623106 411854547 /nfs/dbraw/zinc/85/45/47/411854547.db2.gz BUZHKNHBOHRDEA-GFCCVEGCSA-N 0 0 233.315 2.127 10 0 BEAERN CC[C@@H](C)[C@@H](C)Nc1cnn(CCOC)c1 ZINC000037090286 170774724 /nfs/dbraw/zinc/77/47/24/170774724.db2.gz UDRXYEJHVMWWRZ-GHMZBOCLSA-N 0 0 225.336 2.376 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)c2ncccc2N)[C@@H]1C ZINC000132293999 411897827 /nfs/dbraw/zinc/89/78/27/411897827.db2.gz ZQLLLXMPBZJZAE-CKYFFXLPSA-N 0 0 247.342 2.218 10 0 BEAERN CCCC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000219778504 411903247 /nfs/dbraw/zinc/90/32/47/411903247.db2.gz NBSJNHPWIZOKRF-ZDUSSCGKSA-N 0 0 233.311 2.044 10 0 BEAERN CC[C@@H](C)[C@H](C)Nc1c(N)c(C)nn1C ZINC000042552634 170792200 /nfs/dbraw/zinc/79/22/00/170792200.db2.gz JJFFPFDNCNEKPP-SFYZADRCSA-N 0 0 210.325 2.157 10 0 BEAERN CC[C@@H](C)[S@](=O)c1nc2cc(N)ccc2[nH]1 ZINC000042196069 170802658 /nfs/dbraw/zinc/80/26/58/170802658.db2.gz VYQNOGVMAUQSRA-VGDKGRGNSA-N 0 0 237.328 2.051 10 0 BEAERN CC(C)(C)CC(=O)NCC[C@@H]1CCCO1 ZINC000071853259 411916263 /nfs/dbraw/zinc/91/62/63/411916263.db2.gz NIVHLWUMBRRZLI-JTQLQIEISA-N 0 0 213.321 2.108 10 0 BEAERN CCCc1nccnc1N[C@@H]1COC(C)(C)C1 ZINC000664146210 411873280 /nfs/dbraw/zinc/87/32/80/411873280.db2.gz VVAIHQFRRNPWKW-JTQLQIEISA-N 0 0 235.331 2.409 10 0 BEAERN CC[C@@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000049240656 170906119 /nfs/dbraw/zinc/90/61/19/170906119.db2.gz KGKZVMTVOSOJEL-GFCCVEGCSA-N 0 0 241.356 2.400 10 0 BEAERN CCC[C@H]([NH2+]C[C@H](OC)C1CCCC1)C(=O)[O-] ZINC000662203618 412024679 /nfs/dbraw/zinc/02/46/79/412024679.db2.gz CUSYKHBEUZEODW-RYUDHWBXSA-N 0 0 243.347 2.035 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1OCC(N)=S ZINC000019478228 170968367 /nfs/dbraw/zinc/96/83/67/170968367.db2.gz KSZAJNCZTHDHFF-BDAKNGLRSA-N 0 0 201.335 2.258 10 0 BEAERN CC[C@@H]1CCCC[C@H]1[NH2+]C(C)(C)C(=O)[O-] ZINC000042583340 170970703 /nfs/dbraw/zinc/97/07/03/170970703.db2.gz GIHPXZXDCDVLFW-NXEZZACHSA-N 0 0 213.321 2.408 10 0 BEAERN CC[C@@H]1CCN1Cc1cc(Br)no1 ZINC000292388383 171024712 /nfs/dbraw/zinc/02/47/12/171024712.db2.gz KESXWAIJOJOVGK-SSDOTTSWSA-N 0 0 245.120 2.421 10 0 BEAERN CC[C@@H]1CC[C@H]1Nc1cn(C)nc1OC ZINC000336754958 171060390 /nfs/dbraw/zinc/06/03/90/171060390.db2.gz HUVJWWXZYMDYGI-RKDXNWHRSA-N 0 0 209.293 2.029 10 0 BEAERN CC[C@@H]1CN(c2ccccc2)C(=S)N1 ZINC000039101149 171097866 /nfs/dbraw/zinc/09/78/66/171097866.db2.gz PNXKMXVXFYOYIX-SECBINFHSA-N 0 0 206.314 2.160 10 0 BEAERN CC[C@@H]1CSC(NCc2cnc(C)s2)=[NH+]1 ZINC000049534270 171113782 /nfs/dbraw/zinc/11/37/82/171113782.db2.gz KMZFDKSJDILOLN-MRVPVSSYSA-N 0 0 241.385 2.423 10 0 BEAERN CC[C@@H]1Nc2cc(C)c(C)cc2NC1=O ZINC000039100916 171150978 /nfs/dbraw/zinc/15/09/78/171150978.db2.gz ATSVGONHDLRFKY-VIFPVBQESA-N 0 0 204.273 2.446 10 0 BEAERN CC[C@@H]1Oc2cc(Cl)ccc2NC1=O ZINC000073634863 171152564 /nfs/dbraw/zinc/15/25/64/171152564.db2.gz AQYUDDHSOMUEDP-QMMMGPOBSA-N 0 0 211.648 2.450 10 0 BEAERN CC[C@@H]1c2cccn2CCN1Cc1ncc[nH]1 ZINC000065403294 171162486 /nfs/dbraw/zinc/16/24/86/171162486.db2.gz HJSDORWIRXVNJD-LLVKDONJSA-N 0 0 230.315 2.178 10 0 BEAERN CC[C@@](C)(CCO)Nc1nc(C2CC2)ns1 ZINC000092684502 171167179 /nfs/dbraw/zinc/16/71/79/171167179.db2.gz YAFILNDROZLADZ-NSHDSACASA-N 0 0 241.360 2.379 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2ccsc2)n1 ZINC000041052955 171172231 /nfs/dbraw/zinc/17/22/31/171172231.db2.gz MHQYWRBNTNOMIW-SNVBAGLBSA-N 0 0 223.301 2.382 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2ccoc2C)n1 ZINC000041052957 171172604 /nfs/dbraw/zinc/17/26/04/171172604.db2.gz QPEZJQHXMVBBFE-LLVKDONJSA-N 0 0 221.260 2.222 10 0 BEAERN CC[C@@]1(/C=C\c2ccco2)COC(=O)N1 ZINC000090373035 171194959 /nfs/dbraw/zinc/19/49/59/171194959.db2.gz LAMZKQIFGILXDS-ISALQUGTSA-N 0 0 207.229 2.181 10 0 BEAERN CC[C@@]1(C)OC(=O)c2c1cc(O)c(C)c2O ZINC000015204906 171209158 /nfs/dbraw/zinc/20/91/58/171209158.db2.gz NQVZUYJZFVVHKX-GFCCVEGCSA-N 0 0 222.240 2.202 10 0 BEAERN CC[C@H](C(N)=O)n1cnc2cc(C)c(C)cc21 ZINC000061679536 171246491 /nfs/dbraw/zinc/24/64/91/171246491.db2.gz XYDOPUVOKVBLOS-LLVKDONJSA-N 0 0 231.299 2.090 10 0 BEAERN CC[C@H](C)C(=O)N1CCC(=O)Nc2ccccc21 ZINC000118619176 171247219 /nfs/dbraw/zinc/24/72/19/171247219.db2.gz RYIPZXOYNNYTAI-JTQLQIEISA-N 0 0 246.310 2.408 10 0 BEAERN CC[C@H](C)C(=O)N[C@@H](C)c1cccc(N)c1 ZINC000037177712 171253268 /nfs/dbraw/zinc/25/32/68/171253268.db2.gz NRONVVZPOXWCPP-UWVGGRQHSA-N 0 0 220.316 2.492 10 0 BEAERN CC[C@H](C)C(=O)N[C@H](C)c1ccc(N)cc1 ZINC000037177432 171253742 /nfs/dbraw/zinc/25/37/42/171253742.db2.gz HEZYBGPTCIRQKT-VHSXEESVSA-N 0 0 220.316 2.492 10 0 BEAERN CC[C@H](C)CN(C)C(=O)c1cc(NC)ccn1 ZINC000050748646 171271692 /nfs/dbraw/zinc/27/16/92/171271692.db2.gz XOHWRXWIVCXXOA-JTQLQIEISA-N 0 0 235.331 2.241 10 0 BEAERN CC[C@H](C)CNC(=O)c1nc(N)ccc1Cl ZINC000054492643 171283493 /nfs/dbraw/zinc/28/34/93/171283493.db2.gz NLAXSHWWWUQTHM-ZETCQYMHSA-N 0 0 241.722 2.093 10 0 BEAERN CC[C@H](C)CNC1N=NC(=S)S1 ZINC000054475003 171289604 /nfs/dbraw/zinc/28/96/04/171289604.db2.gz OSFFIZIPCCXANE-YFKPBYRVSA-N 0 0 203.336 2.285 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(N)c(F)cc1F ZINC000042269071 171303487 /nfs/dbraw/zinc/30/34/87/171303487.db2.gz WJCNFYGBTMQHDQ-ZETCQYMHSA-N 0 0 242.269 2.418 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@H]1CNc2ccccc2O1 ZINC000037110267 171304253 /nfs/dbraw/zinc/30/42/53/171304253.db2.gz SWDHAXPZNORJEI-GXFFZTMASA-N 0 0 248.326 2.116 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc(F)c(N)c1 ZINC000035279885 171305104 /nfs/dbraw/zinc/30/51/04/171305104.db2.gz DBIKGJUKZPNOJM-QMMMGPOBSA-N 0 0 224.279 2.278 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cccc(N)c1C ZINC000037109104 171305206 /nfs/dbraw/zinc/30/52/06/171305206.db2.gz DCUFMVHQNNFNQL-VIFPVBQESA-N 0 0 220.316 2.448 10 0 BEAERN CC[C@H](C)[N@H+](CC)Cc1cccnc1C(=O)[O-] ZINC000062751481 171311746 /nfs/dbraw/zinc/31/17/46/171311746.db2.gz STDMBHNXMRUOJV-JTQLQIEISA-N 0 0 236.315 2.400 10 0 BEAERN CC[C@H](C)NC(=O)CCc1cccc(N)c1 ZINC000020186896 171323694 /nfs/dbraw/zinc/32/36/94/171323694.db2.gz HHORHNHNECBJJL-JTQLQIEISA-N 0 0 220.316 2.116 10 0 BEAERN CC[C@H](C)NC(=O)c1nn(CC)cc1Cl ZINC000002765949 171338525 /nfs/dbraw/zinc/33/85/25/171338525.db2.gz PZWWDWJYQAJZRD-ZETCQYMHSA-N 0 0 229.711 2.085 10 0 BEAERN CC[C@H](C)[NH2+][C@@](C)(C(=O)[O-])c1ccc(O)cc1 ZINC000038066261 171347546 /nfs/dbraw/zinc/34/75/46/171347546.db2.gz PCOLSLGFSIFMQN-TVQRCGJNSA-N 0 0 237.299 2.080 10 0 BEAERN CC[C@H](C)Nc1ccc(-n2cncn2)cc1 ZINC000037769081 171349948 /nfs/dbraw/zinc/34/99/48/171349948.db2.gz VPWLQVMGHVXGAJ-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)Nc1nc2ccccc2c(=O)o1 ZINC000027547268 171350475 /nfs/dbraw/zinc/35/04/75/171350475.db2.gz VXENMBJTJLSOFB-QMMMGPOBSA-N 0 0 218.256 2.398 10 0 BEAERN CC[C@H](C)Nc1nccc2n[nH]c(C)c21 ZINC000089220145 171350777 /nfs/dbraw/zinc/35/07/77/171350777.db2.gz WMBMFNBXMGAYOE-ZETCQYMHSA-N 0 0 204.277 2.477 10 0 BEAERN CC[C@H](C)Nc1cccc(-n2cnnc2)c1 ZINC000036991092 171350907 /nfs/dbraw/zinc/35/09/07/171350907.db2.gz GVBFNCMDWQEUBQ-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)OCC(=O)Nc1c(C)cccc1N ZINC000048263983 171354262 /nfs/dbraw/zinc/35/42/62/171354262.db2.gz OSLAKYFKCNEDEZ-JTQLQIEISA-N 0 0 236.315 2.331 10 0 BEAERN CC[C@H](C)OCc1cc(N)cc2c1OCOC2 ZINC000048263916 171355285 /nfs/dbraw/zinc/35/52/85/171355285.db2.gz VNVBJBAJWXDLGP-VIFPVBQESA-N 0 0 237.299 2.450 10 0 BEAERN CC[C@H](C)O[C@H](C)C(=O)Nc1ccccc1N ZINC000048263590 171355550 /nfs/dbraw/zinc/35/55/50/171355550.db2.gz AQMYNYFFYPMRAZ-VHSXEESVSA-N 0 0 236.315 2.411 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1cc(N)cn1CC ZINC000042550938 171387904 /nfs/dbraw/zinc/38/79/04/171387904.db2.gz UCRLHKDPJISEMP-UWVGGRQHSA-N 0 0 237.347 2.255 10 0 BEAERN CC[C@H](Nc1cccc(F)c1)C(=O)OC ZINC000037962099 171551656 /nfs/dbraw/zinc/55/16/56/171551656.db2.gz NGKWSZHLGZZSDO-JTQLQIEISA-N 0 0 211.236 2.189 10 0 BEAERN CC[C@H](Nc1cccc([C@H](C)OC)c1)C(N)=O ZINC000112541871 171552016 /nfs/dbraw/zinc/55/20/16/171552016.db2.gz OLEXVVFSINTFFN-CABZTGNLSA-N 0 0 236.315 2.070 10 0 BEAERN CC[C@H](O)CNc1ccc(F)c(F)c1F ZINC000037688442 171577500 /nfs/dbraw/zinc/57/75/00/171577500.db2.gz NTEYHBADKSWBQN-LURJTMIESA-N 0 0 219.206 2.287 10 0 BEAERN CC[C@H]1CCCN(c2c(C=O)c(C)nn2C)C1 ZINC000036169939 171617831 /nfs/dbraw/zinc/61/78/31/171617831.db2.gz XNUBOZSPAYDXTD-NSHDSACASA-N 0 0 235.331 2.167 10 0 BEAERN CC[C@H]1CCCN1c1cnc(C(C)C)nc1CO ZINC000050364954 171622027 /nfs/dbraw/zinc/62/20/27/171622027.db2.gz UHRLLSIHAMIBMQ-NSHDSACASA-N 0 0 249.358 2.471 10 0 BEAERN Nc1cccnc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000132751128 412248568 /nfs/dbraw/zinc/24/85/68/412248568.db2.gz MDZGIZQMUVVAMK-ZYHUDNBSSA-N 0 0 245.326 2.069 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nccnc1OC(C)C ZINC000302220071 171678005 /nfs/dbraw/zinc/67/80/05/171678005.db2.gz LVFVBXHGYSUYCU-UWVGGRQHSA-N 0 0 221.304 2.474 10 0 BEAERN CC[C@](C)([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000037952237 171698159 /nfs/dbraw/zinc/69/81/59/171698159.db2.gz UYTGAFNJZDKUEO-LBPRGKRZSA-N 0 0 207.273 2.030 10 0 BEAERN CC[C@](O)(Cc1cnn(C)c1)c1ccccc1 ZINC000050541503 171710637 /nfs/dbraw/zinc/71/06/37/171710637.db2.gz OGCGMZRDKXEGQJ-AWEZNQCLSA-N 0 0 230.311 2.260 10 0 BEAERN CCC1(CC)CCN(C(=O)c2ncccc2N)C1 ZINC000132800473 412292010 /nfs/dbraw/zinc/29/20/10/412292010.db2.gz GTLOBLOXBKXMBV-UHFFFAOYSA-N 0 0 247.342 2.316 10 0 BEAERN CCc1ccc(-n2nnc3cccnc32)cc1 ZINC000169321758 171782095 /nfs/dbraw/zinc/78/20/95/171782095.db2.gz BKJSCSZNNZWEEE-UHFFFAOYSA-N 0 0 224.267 2.378 10 0 BEAERN CCc1ccc(NC(=O)c2ccccn2)cc1N ZINC000036742770 171819926 /nfs/dbraw/zinc/81/99/26/171819926.db2.gz BVIYJLVWKZIECE-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CCc1ccc(OCCn2ccc(N)n2)cc1 ZINC000071378798 171827324 /nfs/dbraw/zinc/82/73/24/171827324.db2.gz ZXWDYYIQZWFYIB-UHFFFAOYSA-N 0 0 231.299 2.107 10 0 BEAERN CCc1ccc([C@H]2CCCCN2C(N)=O)o1 ZINC000173761122 171844510 /nfs/dbraw/zinc/84/45/10/171844510.db2.gz HCYGJUAKTQIRRM-SNVBAGLBSA-N 0 0 222.288 2.448 10 0 BEAERN CCc1cccc(NCc2nnc(C)n2C)c1 ZINC000035696022 171863000 /nfs/dbraw/zinc/86/30/00/171863000.db2.gz IJIBQEAMZZQQRV-UHFFFAOYSA-N 0 0 230.315 2.298 10 0 BEAERN CCc1ccccc1CNC(=O)N[C@H]1C[C@@H]1C ZINC000077563021 171880191 /nfs/dbraw/zinc/88/01/91/171880191.db2.gz PVRXDLLZEKLNKN-GWCFXTLKSA-N 0 0 232.327 2.457 10 0 BEAERN CCc1ccccc1N[C@@H]1CCCCNC1=O ZINC000020053944 171889132 /nfs/dbraw/zinc/88/91/32/171889132.db2.gz SIKVONMEILHBMP-CYBMUJFWSA-N 0 0 232.327 2.330 10 0 BEAERN CCc1nc(N)cc(-c2ccoc2C)n1 ZINC000044262614 171995511 /nfs/dbraw/zinc/99/55/11/171995511.db2.gz HWYBHHIVZDUOGC-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nc(N)nc(C2(c3ccccc3)CC2)n1 ZINC000104388991 171995515 /nfs/dbraw/zinc/99/55/15/171995515.db2.gz FIEIHFONSVFDKO-UHFFFAOYSA-N 0 0 240.310 2.096 10 0 BEAERN CCc1nc(N)n(-c2ccc(C)cc2C)n1 ZINC000054404628 171995687 /nfs/dbraw/zinc/99/56/87/171995687.db2.gz DUYAGALGCIZBGL-UHFFFAOYSA-N 0 0 216.288 2.029 10 0 BEAERN CCc1nc([C@@H](N)c2sccc2C)no1 ZINC000041674661 172003733 /nfs/dbraw/zinc/00/37/33/172003733.db2.gz VBOFFZOJXGRWBJ-QMMMGPOBSA-N 0 0 223.301 2.050 10 0 BEAERN CCc1nc([C@H](N)c2ccccc2Cl)no1 ZINC000036763096 172007286 /nfs/dbraw/zinc/00/72/86/172007286.db2.gz HPDDQFASKVEEDL-SNVBAGLBSA-N 0 0 237.690 2.334 10 0 BEAERN CCc1nccn1CC(=O)Nc1cccc(C)c1 ZINC000108658029 172025635 /nfs/dbraw/zinc/02/56/35/172025635.db2.gz GRYOUCKGWCJTDG-UHFFFAOYSA-N 0 0 243.310 2.393 10 0 BEAERN CCc1nccn1[C@@H](C)C(=O)NCCC(C)C ZINC000104301588 172029596 /nfs/dbraw/zinc/02/95/96/172029596.db2.gz OKEBZLLTCCWOAK-NSHDSACASA-N 0 0 237.347 2.169 10 0 BEAERN CCc1nccn1[C@@H](C)C(=O)N1CCCCCC1 ZINC000104298201 172029661 /nfs/dbraw/zinc/02/96/61/172029661.db2.gz KOYQXJUZLRKDBV-LBPRGKRZSA-N 0 0 249.358 2.409 10 0 BEAERN CCc1noc(-c2cc(C)ccc2N)n1 ZINC000020563966 172070796 /nfs/dbraw/zinc/07/07/96/172070796.db2.gz LCZMLOGMZFKVPJ-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1noc(-c2c(N)cccc2F)n1 ZINC000035306960 172071315 /nfs/dbraw/zinc/07/13/15/172071315.db2.gz BTWWGGUKKFZGIZ-UHFFFAOYSA-N 0 0 207.208 2.020 10 0 BEAERN CCc1oc(C(=O)N(C)c2cnn(C)c2)cc1C ZINC000118973892 172110224 /nfs/dbraw/zinc/11/02/24/172110224.db2.gz AZMFCCQYIDCYFX-UHFFFAOYSA-N 0 0 247.298 2.161 10 0 BEAERN CCc1oc(C(=O)Nc2cc(C)[nH]n2)cc1C ZINC000121303350 172111189 /nfs/dbraw/zinc/11/11/89/172111189.db2.gz PKLXNZBXHHQZLF-UHFFFAOYSA-N 0 0 233.271 2.434 10 0 BEAERN CCc1onc(C)c1NC(=O)N[C@H]1C[C@@H]1C ZINC000089443984 172125976 /nfs/dbraw/zinc/12/59/76/172125976.db2.gz MSPZGGKKPYJYBL-XPUUQOCRSA-N 0 0 223.276 2.075 10 0 BEAERN CCc1sc(C(=O)N2CCCO2)cc1C ZINC000125363769 172128637 /nfs/dbraw/zinc/12/86/37/172128637.db2.gz RQKXNYJPDSUPTK-UHFFFAOYSA-N 0 0 225.313 2.396 10 0 BEAERN CCn1c2ccccc2nc1-c1cc(N)n[nH]1 ZINC000075880108 172130244 /nfs/dbraw/zinc/13/02/44/172130244.db2.gz VKMYJBOQJUQSCB-UHFFFAOYSA-N 0 0 227.271 2.029 10 0 BEAERN CCn1c(=O)ccc2cnc(NC(C)(C)C)nc21 ZINC000013835400 172132118 /nfs/dbraw/zinc/13/21/18/172132118.db2.gz QUHNSFFOKVRSKA-UHFFFAOYSA-N 0 0 246.314 2.022 10 0 BEAERN CCn1c(C(C)(C)C)c(N)c(=O)n1C(C)C ZINC000040933257 172133048 /nfs/dbraw/zinc/13/30/48/172133048.db2.gz ATRSYXILRCEGAP-UHFFFAOYSA-N 0 0 225.336 2.130 10 0 BEAERN CCn1c(C(C)C)n[n-]c1=[NH+]C(C)(C)C ZINC000336748798 172134832 /nfs/dbraw/zinc/13/48/32/172134832.db2.gz CVTSZHYQBMKHAX-UHFFFAOYSA-N 0 0 210.325 2.054 10 0 BEAERN CCn1c(C2CC2)c(N)c(=O)n1C1CCCC1 ZINC000103954532 172142262 /nfs/dbraw/zinc/14/22/62/172142262.db2.gz GZINKEPSBWWVMB-UHFFFAOYSA-N 0 0 235.331 2.244 10 0 BEAERN CCn1cc(-c2cc(F)ccc2N)cn1 ZINC000043462510 172149150 /nfs/dbraw/zinc/14/91/50/172149150.db2.gz DIEDRNQDCKSWED-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1cc(C[C@@]2(O)CCc3ccccc32)cn1 ZINC000050541415 172176644 /nfs/dbraw/zinc/17/66/44/172176644.db2.gz CEYLNYPYLASGFQ-HNNXBMFYSA-N 0 0 242.322 2.280 10 0 BEAERN CCn1cc(CSc2ccc(N)nc2)cn1 ZINC000050540104 172176729 /nfs/dbraw/zinc/17/67/29/172176729.db2.gz IVWHCSUPTQWURM-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1cc(C[C@@H](O)Cc2ccc(F)cc2)cn1 ZINC000050542034 172177132 /nfs/dbraw/zinc/17/71/32/172177132.db2.gz SFFLAQQKYLCJDJ-AWEZNQCLSA-N 0 0 248.301 2.188 10 0 BEAERN CCn1cc(N)cc1C(=O)OC1CCCC1 ZINC000042373349 172178865 /nfs/dbraw/zinc/17/88/65/172178865.db2.gz AMMMHCLIAPWTBB-UHFFFAOYSA-N 0 0 222.288 2.190 10 0 BEAERN CCn1cc(NC(=O)c2cccc(N)c2C)cn1 ZINC000035779637 172183846 /nfs/dbraw/zinc/18/38/46/172183846.db2.gz WWUKGLQJTFRNGU-UHFFFAOYSA-N 0 0 244.298 2.046 10 0 BEAERN CCn1cc(N[C@@H](C)C2(C)CC2)ccc1=O ZINC000037774135 172186496 /nfs/dbraw/zinc/18/64/96/172186496.db2.gz SZLRTORBMBHQQA-JTQLQIEISA-N 0 0 220.316 2.469 10 0 BEAERN CCn1cc(N[C@H](C)c2ccccn2)ccc1=O ZINC000037773868 172188847 /nfs/dbraw/zinc/18/88/47/172188847.db2.gz WWLHRAXFEAEPHC-LLVKDONJSA-N 0 0 243.310 2.436 10 0 BEAERN CCn1cccc1C(=O)Nc1ccc(F)c(N)c1 ZINC000063202321 172203286 /nfs/dbraw/zinc/20/32/86/172203286.db2.gz HZLCSIZRGUXQKU-UHFFFAOYSA-N 0 0 247.273 2.482 10 0 BEAERN CCn1cccc1CNCc1cc(C)no1 ZINC000085609324 172207281 /nfs/dbraw/zinc/20/72/81/172207281.db2.gz AJGDCIQWZCXXDV-UHFFFAOYSA-N 0 0 219.288 2.094 10 0 BEAERN CCn1cccc1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000091025322 172209581 /nfs/dbraw/zinc/20/95/81/172209581.db2.gz JMWPQSUHUUQRMN-LLVKDONJSA-N 0 0 246.358 2.401 10 0 BEAERN CCn1ccnc1Oc1cc(N)ccc1OC ZINC000050614335 172227925 /nfs/dbraw/zinc/22/79/25/172227925.db2.gz FOTLPUJJVKPFST-UHFFFAOYSA-N 0 0 233.271 2.286 10 0 BEAERN CCn1ccnc1[C@@H](NC)c1ccoc1C ZINC000041048686 172229272 /nfs/dbraw/zinc/22/92/72/172229272.db2.gz YYRPHTXGQULCPL-NSHDSACASA-N 0 0 219.288 2.113 10 0 BEAERN CCn1cnc(-c2ccc(F)cc2)c1N ZINC000104900893 172230707 /nfs/dbraw/zinc/23/07/07/172230707.db2.gz MPDHTLDVRSAERS-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1cnn(Cc2ccccc2)c1=S ZINC000039102171 172233170 /nfs/dbraw/zinc/23/31/70/172233170.db2.gz CUYQXNMTIGDUCP-UHFFFAOYSA-N 0 0 219.313 2.482 10 0 BEAERN CCn1nccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000120327841 172265642 /nfs/dbraw/zinc/26/56/42/172265642.db2.gz NIGLPWNAPSCJRQ-KBPBESRZSA-N 0 0 249.358 2.046 10 0 BEAERN CN(C#N)c1nccc(-c2ccccc2)n1 ZINC000072467789 172292436 /nfs/dbraw/zinc/29/24/36/172292436.db2.gz XQURFNACLWCKFX-UHFFFAOYSA-N 0 0 210.240 2.061 10 0 BEAERN CN(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 ZINC000172300191 172323398 /nfs/dbraw/zinc/32/33/98/172323398.db2.gz IKNCJJSYKWXCKI-LBPRGKRZSA-N 0 0 246.310 2.314 10 0 BEAERN CN(C(=O)c1ccc(F)cc1)C1CCOCC1 ZINC000037735378 172340156 /nfs/dbraw/zinc/34/01/56/172340156.db2.gz CCAPHVAPUBHCJZ-UHFFFAOYSA-N 0 0 237.274 2.077 10 0 BEAERN CN(C(=O)c1cccc(O)c1)c1ccccn1 ZINC000019839077 172341867 /nfs/dbraw/zinc/34/18/67/172341867.db2.gz KZSZXJMDETUYCN-UHFFFAOYSA-N 0 0 228.251 2.064 10 0 BEAERN CN(C(=O)c1ccco1)c1cccc(N)c1 ZINC000041021866 172344267 /nfs/dbraw/zinc/34/42/67/172344267.db2.gz YLNRCRXBXWEGAI-UHFFFAOYSA-N 0 0 216.240 2.138 10 0 BEAERN CN(C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116210688 172377314 /nfs/dbraw/zinc/37/73/14/172377314.db2.gz JDLXSJRKRHNLFM-SECBINFHSA-N 0 0 208.261 2.098 10 0 BEAERN CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081526 172385283 /nfs/dbraw/zinc/38/52/83/172385283.db2.gz IKFDINYPKWAPJC-RKDXNWHRSA-N 0 0 225.238 2.157 10 0 BEAERN CN(C)C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000040295567 172388376 /nfs/dbraw/zinc/38/83/76/172388376.db2.gz MJDGRDGSPYARHA-UHFFFAOYSA-N 0 0 233.098 2.277 10 0 BEAERN CN(C)C(=O)c1ccc(OC2CC2)cc1F ZINC000095722496 172390646 /nfs/dbraw/zinc/39/06/46/172390646.db2.gz NKCZESOEYXAAMK-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)C(=O)c1cccc(O)c1CC1CC1 ZINC000095711720 172391214 /nfs/dbraw/zinc/39/12/14/172391214.db2.gz SYRFDKBDNVBQAF-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1cccc(CC2CC2)c1O ZINC000095711717 172391201 /nfs/dbraw/zinc/39/12/01/172391201.db2.gz MSPYTUBIBJUFCB-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)c1ccc(NC[C@H]2CCCO2)cc1 ZINC000035164365 172557262 /nfs/dbraw/zinc/55/72/62/172557262.db2.gz PDJBYOMQLSCWFV-CYBMUJFWSA-N 0 0 220.316 2.344 10 0 BEAERN CN(C)c1cccc(N(C)C)c1OC1CC1 ZINC000095725418 172567546 /nfs/dbraw/zinc/56/75/46/172567546.db2.gz GSMKKOCKNHFBRN-UHFFFAOYSA-N 0 0 220.316 2.360 10 0 BEAERN CN(CCc1ccncc1)c1cccc(F)c1N ZINC000048259342 172791708 /nfs/dbraw/zinc/79/17/08/172791708.db2.gz TTXKYLMRQSJZLQ-UHFFFAOYSA-N 0 0 245.301 2.482 10 0 BEAERN CN(CCc1ccncc1)c1ccc(F)cc1N ZINC000048259352 172793106 /nfs/dbraw/zinc/79/31/06/172793106.db2.gz GAPQWFHTHYECEF-UHFFFAOYSA-N 0 0 245.301 2.482 10 0 BEAERN CN(Cc1ccccn1)c1ccccc1CO ZINC000036777803 172883136 /nfs/dbraw/zinc/88/31/36/172883136.db2.gz MYCQFSQTTRSAJP-UHFFFAOYSA-N 0 0 228.295 2.210 10 0 BEAERN CN(c1ncc(Br)cc1N)C1CC1 ZINC000040713682 172954398 /nfs/dbraw/zinc/95/43/98/172954398.db2.gz FYQPDPCXLWSGGR-UHFFFAOYSA-N 0 0 242.120 2.025 10 0 BEAERN CN1C(=O)NC[C@@H]1c1cccc(Cl)c1 ZINC000077304353 172969820 /nfs/dbraw/zinc/96/98/20/172969820.db2.gz YONJWOZGVKXEQR-SECBINFHSA-N 0 0 210.664 2.036 10 0 BEAERN CN1CCO[C@H]1c1c(F)cccc1Cl ZINC000049815905 173109112 /nfs/dbraw/zinc/10/91/12/173109112.db2.gz GHRQUDBNMBIFBJ-JTQLQIEISA-N 0 0 215.655 2.440 10 0 BEAERN CNC(=O)CCCSc1ccccc1 ZINC000068324694 173243601 /nfs/dbraw/zinc/24/36/01/173243601.db2.gz HTNAPRSOHGUFDK-UHFFFAOYSA-N 0 0 209.314 2.305 10 0 BEAERN CNC(=O)CCNc1cccc2ccccc21 ZINC000051757958 173261908 /nfs/dbraw/zinc/26/19/08/173261908.db2.gz HZONZDNUVMOVTE-UHFFFAOYSA-N 0 0 228.295 2.388 10 0 BEAERN CNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000182412635 173291848 /nfs/dbraw/zinc/29/18/48/173291848.db2.gz ZDTNEDRFFKYFON-SKDRFNHKSA-N 0 0 218.300 2.157 10 0 BEAERN CNC(=O)Nc1ccc(NCC2CC2)cc1 ZINC000037135688 173292924 /nfs/dbraw/zinc/29/29/24/173292924.db2.gz IQNHOABREMNWGC-UHFFFAOYSA-N 0 0 219.288 2.260 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(Cl)cc1F ZINC000042212235 173304051 /nfs/dbraw/zinc/30/40/51/173304051.db2.gz DHGVFKFDVGPWAV-LURJTMIESA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)c1cc(OC2CC2)cc(SC)c1 ZINC000095723859 173309745 /nfs/dbraw/zinc/30/97/45/173309745.db2.gz GUAUMXFVYGWQCC-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1cc(O)cc(C(C)(C)C)c1 ZINC000095712147 173309875 /nfs/dbraw/zinc/30/98/75/173309875.db2.gz JJSCTJWVVQVLCM-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1cc(OC2CC2)ccc1SC ZINC000095719534 173309983 /nfs/dbraw/zinc/30/99/83/173309983.db2.gz NBUGHMVVUFESFT-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(C)(C)C(=O)O[C@H]1CCCC[C@@H]1C ZINC000061171911 173319690 /nfs/dbraw/zinc/31/96/90/173319690.db2.gz BQKAJEVCHCXMHG-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN CNCC(=O)OCc1cc(C(C)C)ccc1C ZINC000077371363 173334960 /nfs/dbraw/zinc/33/49/60/173334960.db2.gz UNFINBICVKHHFP-UHFFFAOYSA-N 0 0 235.327 2.381 10 0 BEAERN CNCc1nnc(Cc2ccccc2Cl)o1 ZINC000050615426 173397482 /nfs/dbraw/zinc/39/74/82/173397482.db2.gz LYRGUVYJDUFBAF-UHFFFAOYSA-N 0 0 237.690 2.033 10 0 BEAERN C[NH2+][C@@H](C(=O)[O-])c1csc2ccccc21 ZINC000054465100 173411141 /nfs/dbraw/zinc/41/11/41/173411141.db2.gz ZRBIIGJYHFTKOJ-SNVBAGLBSA-N 0 0 221.281 2.246 10 0 BEAERN CNc1cc(C(=O)Nc2ccccc2)ccn1 ZINC000050724245 173472824 /nfs/dbraw/zinc/47/28/24/173472824.db2.gz HYBVONWDNRBQCY-UHFFFAOYSA-N 0 0 227.267 2.376 10 0 BEAERN CNc1ccnc(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000104367442 173483702 /nfs/dbraw/zinc/48/37/02/173483702.db2.gz LJMMPMPQDVSZBF-NSHDSACASA-N 0 0 247.342 2.386 10 0 BEAERN CNc1cnc(OC(C)C)c(OC2CC2)c1 ZINC000095730234 173484133 /nfs/dbraw/zinc/48/41/33/173484133.db2.gz IMUATSHGFUJZCS-UHFFFAOYSA-N 0 0 222.288 2.452 10 0 BEAERN CNc1ccnc(OC(C)C)c1OC1CC1 ZINC000095730667 173484476 /nfs/dbraw/zinc/48/44/76/173484476.db2.gz JXSBBNGAJQBHHM-UHFFFAOYSA-N 0 0 222.288 2.452 10 0 BEAERN CNc1ncccc1C(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000051751858 173488891 /nfs/dbraw/zinc/48/88/91/173488891.db2.gz OWMYUXUMOBLLCH-MNOVXSKESA-N 0 0 247.342 2.384 10 0 BEAERN COC(=O)CCC(=O)c1ccc(OC)cc1C ZINC000074418918 173526656 /nfs/dbraw/zinc/52/66/56/173526656.db2.gz KKHBHMKNNHALQU-UHFFFAOYSA-N 0 0 236.267 2.140 10 0 BEAERN COC(=O)COc1cccc2ccc(C)nc21 ZINC000037406318 173614574 /nfs/dbraw/zinc/61/45/74/173614574.db2.gz FBHHLHOICXSXIM-UHFFFAOYSA-N 0 0 231.251 2.095 10 0 BEAERN COC(=O)C[C@H](C)Nc1cc(F)cc(F)c1F ZINC000061095532 173633808 /nfs/dbraw/zinc/63/38/08/173633808.db2.gz ACNHVCIZPGRLAY-LURJTMIESA-N 0 0 247.216 2.467 10 0 BEAERN COC(=O)[C@@H](NC1CC1)c1cc(C)ccc1C ZINC000049670789 173710630 /nfs/dbraw/zinc/71/06/30/173710630.db2.gz NEYKPWRQIODVEK-ZDUSSCGKSA-N 0 0 233.311 2.270 10 0 BEAERN COC(=O)[C@@H](Nc1cccc(OC)c1)C(C)C ZINC000039320240 173713083 /nfs/dbraw/zinc/71/30/83/173713083.db2.gz HSQVXSKUZIZBNA-LBPRGKRZSA-N 0 0 237.299 2.305 10 0 BEAERN COC(=O)c1ccc(C2=NOC(C)(C)C2)cc1 ZINC000211942816 173871760 /nfs/dbraw/zinc/87/17/60/173871760.db2.gz FXNWNPUEKXKFLZ-UHFFFAOYSA-N 0 0 233.267 2.376 10 0 BEAERN COC(=O)c1cccn2cc(C(F)(F)F)nc12 ZINC000089201716 173901329 /nfs/dbraw/zinc/90/13/29/173901329.db2.gz POOJTUQMPJMMHR-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN COC(OC)(OC)c1ccc(C)cc1C ZINC000098178050 173964517 /nfs/dbraw/zinc/96/45/17/173964517.db2.gz CWPJDEYLTRDENH-UHFFFAOYSA-N 0 0 210.273 2.353 10 0 BEAERN COC1=CC(=O)O[C@H](c2ccccc2)C1 ZINC000021999093 174012472 /nfs/dbraw/zinc/01/24/72/174012472.db2.gz QJWYZCXQARCGMV-NSHDSACASA-N 0 0 204.225 2.205 10 0 BEAERN COc1ccc2c(c1OC)CC=C(OC)C2 ZINC000091363884 174013838 /nfs/dbraw/zinc/01/38/38/174013838.db2.gz OOQRLWBOHWQDAT-UHFFFAOYSA-N 0 0 220.268 2.333 10 0 BEAERN COCC(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000045199729 174040593 /nfs/dbraw/zinc/04/05/93/174040593.db2.gz IQMBDGQMEOYZNP-UHFFFAOYSA-N 0 0 233.311 2.132 10 0 BEAERN COCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162731077 174053692 /nfs/dbraw/zinc/05/36/92/174053692.db2.gz PKZZCFQIBUIQPA-GXFFZTMASA-N 0 0 233.311 2.388 10 0 BEAERN COCC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000041575381 174055103 /nfs/dbraw/zinc/05/51/03/174055103.db2.gz UTXRWQHXJLAYNH-IJLUTSLNSA-N 0 0 227.348 2.210 10 0 BEAERN COCC(=O)c1cc(Br)ccc1F ZINC000036180163 174062675 /nfs/dbraw/zinc/06/26/75/174062675.db2.gz WXXNAEKSYSOKAO-UHFFFAOYSA-N 0 0 247.063 2.417 10 0 BEAERN COCCC(=O)c1ccc(F)c(F)c1 ZINC000041210193 174139112 /nfs/dbraw/zinc/13/91/12/174139112.db2.gz HMVBQPFHHRRHAR-UHFFFAOYSA-N 0 0 200.184 2.184 10 0 BEAERN COCCC(=O)c1ccc(OC)c(F)c1 ZINC000038534713 174139348 /nfs/dbraw/zinc/13/93/48/174139348.db2.gz STQAZMGRTNKLKL-UHFFFAOYSA-N 0 0 212.220 2.054 10 0 BEAERN COCCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022211520 174169540 /nfs/dbraw/zinc/16/95/40/174169540.db2.gz UZOFADVLWBZAPX-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN COCCCCNC(=O)N1CCCC(C)(C)C1 ZINC000112743430 174195723 /nfs/dbraw/zinc/19/57/23/174195723.db2.gz FMEMJDHSDNBFCS-UHFFFAOYSA-N 0 0 242.363 2.245 10 0 BEAERN COCCCO[C@H](C)C(=O)c1ccc(F)cc1 ZINC000037747519 174256239 /nfs/dbraw/zinc/25/62/39/174256239.db2.gz QONCVHNFZPVZCO-SNVBAGLBSA-N 0 0 240.274 2.450 10 0 BEAERN COCCN(CC(=O)c1ccco1)CC(C)C ZINC000042370445 174286119 /nfs/dbraw/zinc/28/61/19/174286119.db2.gz XAGVKRFNGMJOPR-UHFFFAOYSA-N 0 0 239.315 2.067 10 0 BEAERN COCCNc1n[nH]c2c1CCCCCC2 ZINC000062669794 174340779 /nfs/dbraw/zinc/34/07/79/174340779.db2.gz BIUKPJCHWRRQDL-UHFFFAOYSA-N 0 0 223.320 2.127 10 0 BEAERN COCCNc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000062669615 174341033 /nfs/dbraw/zinc/34/10/33/174341033.db2.gz WHILQGKORPGZJQ-UHFFFAOYSA-N 0 0 235.262 2.274 10 0 BEAERN COCCNc1nc2c(s1)CCCCC2 ZINC000062986989 174342341 /nfs/dbraw/zinc/34/23/41/174342341.db2.gz AGOJRBBJQHZDKZ-UHFFFAOYSA-N 0 0 226.345 2.470 10 0 BEAERN COCCNc1nnc(Cl)c2ccccc21 ZINC000050529094 174342494 /nfs/dbraw/zinc/34/24/94/174342494.db2.gz IZQXYAZLYWEKDF-UHFFFAOYSA-N 0 0 237.690 2.342 10 0 BEAERN COCCNc1nc2cc(F)ccc2s1 ZINC000037206179 174343154 /nfs/dbraw/zinc/34/31/54/174343154.db2.gz AELFJAOPWFPUOA-UHFFFAOYSA-N 0 0 226.276 2.494 10 0 BEAERN COCCOc1cccc(Cl)c1C=O ZINC000020079454 174370082 /nfs/dbraw/zinc/37/00/82/174370082.db2.gz UAZPTWIAAZZGTQ-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN COCCSc1nc2cc(N)ccc2o1 ZINC000048750705 174377078 /nfs/dbraw/zinc/37/70/78/174377078.db2.gz GWCUHYGFMCZMET-UHFFFAOYSA-N 0 0 224.285 2.149 10 0 BEAERN COCC[C@@H](N)c1nc2cc(C)ccc2o1 ZINC000052785524 174392868 /nfs/dbraw/zinc/39/28/68/174392868.db2.gz YWCSBNFMDGUTRJ-SECBINFHSA-N 0 0 220.272 2.173 10 0 BEAERN COCC[C@H](C)NC(=O)NC1CCCCC1 ZINC000101761240 174403719 /nfs/dbraw/zinc/40/37/19/174403719.db2.gz KQGBHBVXELVSJE-JTQLQIEISA-N 0 0 228.336 2.043 10 0 BEAERN COC[C@@H](C)C(=O)NCC1(c2ccccc2)CC1 ZINC000103363023 174436461 /nfs/dbraw/zinc/43/64/61/174436461.db2.gz ZLOKYHNNFFNVSQ-GFCCVEGCSA-N 0 0 247.338 2.117 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000103356107 174438214 /nfs/dbraw/zinc/43/82/14/174438214.db2.gz AOGQIBZBQKCTSG-SNVBAGLBSA-N 0 0 207.273 2.216 10 0 BEAERN COC[C@@H](C)C(=O)Oc1c(C)cccc1C ZINC000103356336 174438935 /nfs/dbraw/zinc/43/89/35/174438935.db2.gz GFIUQFWGSARZBU-LLVKDONJSA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186547127 174461526 /nfs/dbraw/zinc/46/15/26/174461526.db2.gz NVBXQUKTNSSVBS-SECBINFHSA-N 0 0 249.314 2.111 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000103355784 174528421 /nfs/dbraw/zinc/52/84/21/174528421.db2.gz IQSPBYTVSGDCMN-VIFPVBQESA-N 0 0 235.283 2.110 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000103370414 174528847 /nfs/dbraw/zinc/52/88/47/174528847.db2.gz ATHAGSMCGLZBKO-QMMMGPOBSA-N 0 0 248.282 2.357 10 0 BEAERN COC[C@H](C)Nc1cc(OC)c(OC)cc1C ZINC000053173729 174553044 /nfs/dbraw/zinc/55/30/44/174553044.db2.gz VWIBAWDAAREGMN-JTQLQIEISA-N 0 0 239.315 2.459 10 0 BEAERN COC[C@H](C)Nc1ccc(C)c(O)c1C ZINC000053174364 174553238 /nfs/dbraw/zinc/55/32/38/174553238.db2.gz VTGIHSNVXPTMFN-VIFPVBQESA-N 0 0 209.289 2.456 10 0 BEAERN COCc1ccc(C(=O)N[C@H](C)CC2CC2)o1 ZINC000112689053 174620897 /nfs/dbraw/zinc/62/08/97/174620897.db2.gz ICLAZZRHNWQWAD-SECBINFHSA-N 0 0 237.299 2.344 10 0 BEAERN COCc1cccc(N[C@@H](C)CC(=O)OC)c1 ZINC000049507776 174632901 /nfs/dbraw/zinc/63/29/01/174632901.db2.gz GCVXZJODPVUGSV-JTQLQIEISA-N 0 0 237.299 2.197 10 0 BEAERN COCc1nsc(NCC2(C3CC3)CC2)n1 ZINC000301784470 174652408 /nfs/dbraw/zinc/65/24/08/174652408.db2.gz VBUJTPCNESQTNY-UHFFFAOYSA-N 0 0 239.344 2.287 10 0 BEAERN CON(C)c1ccc(N)c(C(F)(F)F)c1 ZINC000036825519 174659926 /nfs/dbraw/zinc/65/99/26/174659926.db2.gz GNNYSYDOYDEMGP-UHFFFAOYSA-N 0 0 220.194 2.285 10 0 BEAERN COP(=O)(OC)Oc1noc(C)c1Cl ZINC000003624055 174669951 /nfs/dbraw/zinc/66/99/51/174669951.db2.gz IHOQQPRHMUUQTN-UHFFFAOYSA-N 0 0 241.567 2.416 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2nc(C)cc(C)n2)C1 ZINC000301773594 174752149 /nfs/dbraw/zinc/75/21/49/174752149.db2.gz KIJLHBHYSNOXBW-NWDGAFQWSA-N 0 0 235.331 2.463 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1cc(C)cc2ncnn21 ZINC000050374758 174753754 /nfs/dbraw/zinc/75/37/54/174753754.db2.gz ZZFFZSZNDWQDHH-GHMZBOCLSA-N 0 0 246.314 2.017 10 0 BEAERN COc1cc(F)ccc1NC(=O)CSC ZINC000026025130 174994390 /nfs/dbraw/zinc/99/43/90/174994390.db2.gz LLTKKUUTJHJBBV-UHFFFAOYSA-N 0 0 229.276 2.136 10 0 BEAERN COc1cc(NCC[C@@H]2CCCO2)ccc1N ZINC000104248012 175002475 /nfs/dbraw/zinc/00/24/75/175002475.db2.gz SNUPHDFGAWPWQE-NSHDSACASA-N 0 0 236.315 2.258 10 0 BEAERN COc1cc(OC)c(C(=O)C2CC2)cc1OC ZINC000083255689 175006176 /nfs/dbraw/zinc/00/61/76/175006176.db2.gz MLGHBHYHUREJKF-UHFFFAOYSA-N 0 0 236.267 2.305 10 0 BEAERN COc1cc(OC)c(OC)c2c1C[C@@H](C)C2=O ZINC000041269287 175007076 /nfs/dbraw/zinc/00/70/76/175007076.db2.gz WXQKCNLPPUVQCD-SSDOTTSWSA-N 0 0 236.267 2.087 10 0 BEAERN COc1cc2c(c(OC)c1)C[C@@H](C)C2=O ZINC000041214612 175008735 /nfs/dbraw/zinc/00/87/35/175008735.db2.gz CGPMIGVCTGOFSM-SSDOTTSWSA-N 0 0 206.241 2.079 10 0 BEAERN COc1cc2c(c(OC)c1)C[C@H](C)C2=O ZINC000041214614 175008949 /nfs/dbraw/zinc/00/89/49/175008949.db2.gz CGPMIGVCTGOFSM-ZETCQYMHSA-N 0 0 206.241 2.079 10 0 BEAERN COc1cc2ncc3c(C)[nH]nc3c2c(OC)c1 ZINC000085346332 175009524 /nfs/dbraw/zinc/00/95/24/175009524.db2.gz GDUXYGURMDUFLR-UHFFFAOYSA-N 0 0 243.266 2.437 10 0 BEAERN COc1cc(OC)cc(C2CC(=O)CC(=O)C2)c1 ZINC000102923606 175010228 /nfs/dbraw/zinc/01/02/28/175010228.db2.gz DVSOUYRRLAEPAO-UHFFFAOYSA-N 0 0 248.278 2.110 10 0 BEAERN COc1cc2c(cc1Cl)NC(=O)[C@H]2C ZINC000105904921 175022241 /nfs/dbraw/zinc/02/22/41/175022241.db2.gz FAWJLWJXEXQQTC-YFKPBYRVSA-N 0 0 211.648 2.404 10 0 BEAERN COc1cc2c(cc1OC)-c1nocc1CC2 ZINC000169337827 175023625 /nfs/dbraw/zinc/02/36/25/175023625.db2.gz WTKZGXMSOCPUSI-UHFFFAOYSA-N 0 0 231.251 2.457 10 0 BEAERN COc1cc2nc(Cl)cc(N)c2cc1OC ZINC000044564076 175028144 /nfs/dbraw/zinc/02/81/44/175028144.db2.gz ZTNGPDYIUBFNBJ-UHFFFAOYSA-N 0 0 238.674 2.488 10 0 BEAERN COc1ccc(-c2c(N)noc2C)cc1 ZINC000082532044 175029612 /nfs/dbraw/zinc/02/96/12/175029612.db2.gz OBVHPTYHZHMVTP-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)cc1F ZINC000065355837 175030129 /nfs/dbraw/zinc/03/01/29/175030129.db2.gz FLQDYRDXCOBLRH-UHFFFAOYSA-N 0 0 219.215 2.190 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)c(OC)c1 ZINC000065355927 175030169 /nfs/dbraw/zinc/03/01/69/175030169.db2.gz FYRJXIRMIZPVSI-UHFFFAOYSA-N 0 0 231.251 2.059 10 0 BEAERN COc1ccc(-c2cc3c[nH]c(=O)nc3o2)cc1 ZINC000090547422 175032524 /nfs/dbraw/zinc/03/25/24/175032524.db2.gz LRERUZHDNYEGAC-UHFFFAOYSA-N 0 0 242.234 2.192 10 0 BEAERN COc1ccc(-c2ccc(CO)cn2)c(OC)c1 ZINC000039927643 175033308 /nfs/dbraw/zinc/03/33/08/175033308.db2.gz XYQYYHMBUZVRPA-UHFFFAOYSA-N 0 0 245.278 2.258 10 0 BEAERN COc1ccc(-c2nc3cccnc3[nH]2)cc1N ZINC000000027433 175041034 /nfs/dbraw/zinc/04/10/34/175041034.db2.gz ABASISWQMOMCKV-UHFFFAOYSA-N 0 0 240.266 2.216 10 0 BEAERN COc1ccc(-c2nc3cc[nH]cc-3n2)c(O)c1 ZINC000071166743 175041094 /nfs/dbraw/zinc/04/10/94/175041094.db2.gz FVQIIKKZQUARCH-UHFFFAOYSA-N 0 0 241.250 2.339 10 0 BEAERN COc1ccc(-c2nn(C)cc2C=O)cc1F ZINC000036894389 175041723 /nfs/dbraw/zinc/04/17/23/175041723.db2.gz BQHAHBDUIBDGQZ-UHFFFAOYSA-N 0 0 234.230 2.047 10 0 BEAERN COc1ccc(-c2ncon2)c(F)c1F ZINC000096102603 175041756 /nfs/dbraw/zinc/04/17/56/175041756.db2.gz MMPHFMORIGYKGP-UHFFFAOYSA-N 0 0 212.155 2.023 10 0 BEAERN COc1ccc(-c2noc(C)c2CO)cc1OC ZINC000057537497 175042472 /nfs/dbraw/zinc/04/24/72/175042472.db2.gz HIXKXBDXLHFYOF-UHFFFAOYSA-N 0 0 249.266 2.160 10 0 BEAERN COc1ccc(-c2noc(Cl)n2)cc1OC ZINC000037926785 175043387 /nfs/dbraw/zinc/04/33/87/175043387.db2.gz JHEMIGZRMCNGNU-UHFFFAOYSA-N 0 0 240.646 2.407 10 0 BEAERN COc1ccc(-n2nc(CO)cc2C(C)C)cc1 ZINC000019045806 175045063 /nfs/dbraw/zinc/04/50/63/175045063.db2.gz FLTYPJUJIMKXEV-UHFFFAOYSA-N 0 0 246.310 2.497 10 0 BEAERN COc1ccc(/C=C/[C@@H](C)O)c(OC)c1 ZINC000077301544 175047001 /nfs/dbraw/zinc/04/70/01/175047001.db2.gz QBNFSFYVEDASLN-XNPJLODASA-N 0 0 208.257 2.098 10 0 BEAERN COc1ccc(/C=C2/SC(=N)NC2=O)cc1C ZINC000006826013 175048446 /nfs/dbraw/zinc/04/84/46/175048446.db2.gz UQWZUYRJBDWUAS-UXBLZVDNSA-N 0 0 248.307 2.142 10 0 BEAERN COc1ccc(/C=C\C(=O)n2cccn2)cc1 ZINC000033456146 175048668 /nfs/dbraw/zinc/04/86/68/175048668.db2.gz OMBMXJJLTXUBFL-YVMONPNESA-N 0 0 228.251 2.245 10 0 BEAERN COc1ccc(Br)c2c1NCC2 ZINC000049564784 175051096 /nfs/dbraw/zinc/05/10/96/175051096.db2.gz MXYNQADQNSWJKN-UHFFFAOYSA-N 0 0 228.089 2.426 10 0 BEAERN COc1ccc(C(=O)CN)c(Cl)c1Cl ZINC000083255731 175053571 /nfs/dbraw/zinc/05/35/71/175053571.db2.gz FRGFGSHFSVHQCT-UHFFFAOYSA-N 0 0 234.082 2.143 10 0 BEAERN COc1ccc(C(=O)N2CCC[C@H](C)C2)c(N)c1 ZINC000082697704 175057046 /nfs/dbraw/zinc/05/70/46/175057046.db2.gz VJRIYVZHAZJOBG-JTQLQIEISA-N 0 0 248.326 2.150 10 0 BEAERN COc1ccc(C)c2c1c(C=O)cn2C ZINC000058823935 175071269 /nfs/dbraw/zinc/07/12/69/175071269.db2.gz VYKQCMZFSKBTBN-UHFFFAOYSA-N 0 0 203.241 2.308 10 0 BEAERN COc1ccc(C)cc1-c1[nH]nc(N)c1C ZINC000052943695 175072472 /nfs/dbraw/zinc/07/24/72/175072472.db2.gz XVHXHXVHANMXOH-UHFFFAOYSA-N 0 0 217.272 2.284 10 0 BEAERN COc1ccc(C)cc1C(=O)Cc1ncc[nH]1 ZINC000052943413 175073132 /nfs/dbraw/zinc/07/31/32/175073132.db2.gz VOHSPYDTRQLGOA-UHFFFAOYSA-N 0 0 230.267 2.152 10 0 BEAERN COc1ccc(C)cc1C[C@H](O)c1cnccn1 ZINC000050706408 175077056 /nfs/dbraw/zinc/07/70/56/175077056.db2.gz KEJSIJDXLDHREF-ZDUSSCGKSA-N 0 0 244.294 2.070 10 0 BEAERN COc1ccc(C)cc1[C@H](C)n1nccc1N ZINC000019689210 175082614 /nfs/dbraw/zinc/08/26/14/175082614.db2.gz TWQGKYBRILKSQP-JTQLQIEISA-N 0 0 231.299 2.392 10 0 BEAERN COc1ccc(C2(C)OCCO2)cc1C ZINC000057495279 175083733 /nfs/dbraw/zinc/08/37/33/175083733.db2.gz KFSSBZUQINYCIS-UHFFFAOYSA-N 0 0 208.257 2.223 10 0 BEAERN COc1ccc(CCC(C)=O)c(OC)c1 ZINC000009280619 175088617 /nfs/dbraw/zinc/08/86/17/175088617.db2.gz XVDBFSJIRHTDCP-UHFFFAOYSA-N 0 0 208.257 2.225 10 0 BEAERN COc1ccc(CO)cc1OC/C=C/Cl ZINC000020032220 175113270 /nfs/dbraw/zinc/11/32/70/175113270.db2.gz VMTUDTRPYDVNIW-GORDUTHDSA-N 0 0 228.675 2.319 10 0 BEAERN COc1ccc(C[C@@H](C)[C@H](C)O)cc1F ZINC000041226265 175115703 /nfs/dbraw/zinc/11/57/03/175115703.db2.gz KQKPDDWAVWYDSZ-BDAKNGLRSA-N 0 0 212.264 2.394 10 0 BEAERN COc1ccc(C[C@H](O)CC2CC2)cc1OC ZINC000062137887 175116847 /nfs/dbraw/zinc/11/68/47/175116847.db2.gz WZVVXCUUIXWSMH-GFCCVEGCSA-N 0 0 236.311 2.407 10 0 BEAERN COc1ccc(Cl)cc1CCCO ZINC000001686551 175120430 /nfs/dbraw/zinc/12/04/30/175120430.db2.gz CQXPRDKBHWNPMJ-UHFFFAOYSA-N 0 0 200.665 2.274 10 0 BEAERN COc1ccc(F)c(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000151886056 175125311 /nfs/dbraw/zinc/12/53/11/175125311.db2.gz ZTFMGTPLKOJFFU-OIBJUYFYSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(F)cc1Cn1nc(C)c(N)c1C ZINC000071564118 175131513 /nfs/dbraw/zinc/13/15/13/175131513.db2.gz XWVGQUJSJKAATL-UHFFFAOYSA-N 0 0 249.289 2.278 10 0 BEAERN COc1ccc(F)cc1[C@@H](N)c1cscn1 ZINC000062355059 175132792 /nfs/dbraw/zinc/13/27/92/175132792.db2.gz PVWQHMAMHGGEIO-LLVKDONJSA-N 0 0 238.287 2.339 10 0 BEAERN COc1ccc(N)c(C(=O)N(C)CC(C)C)c1 ZINC000037846899 175137479 /nfs/dbraw/zinc/13/74/79/175137479.db2.gz UEYUBPVCDRYJAJ-UHFFFAOYSA-N 0 0 236.315 2.005 10 0 BEAERN COc1ccc(N)c(F)c1Br ZINC000238362720 175137588 /nfs/dbraw/zinc/13/75/88/175137588.db2.gz HSADDMONOMGFHW-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN COc1ccc(N)cc1Cn1cnc(C)c1C ZINC000051925947 175138581 /nfs/dbraw/zinc/13/85/81/175138581.db2.gz XWWMOJYZXWLLIE-UHFFFAOYSA-N 0 0 231.299 2.139 10 0 BEAERN COc1ccc(-n2cc3[nH]cccc-3c2=O)cc1 ZINC000089223356 175140212 /nfs/dbraw/zinc/14/02/12/175140212.db2.gz VHHRYDNHXKVRTH-UHFFFAOYSA-N 0 0 240.262 2.251 10 0 BEAERN COc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000121762652 175145951 /nfs/dbraw/zinc/14/59/51/175145951.db2.gz GLMGDJKCOVHHTK-CABZTGNLSA-N 0 0 235.283 2.201 10 0 BEAERN COc1ccc(NCC(=O)NC(C)(C)C)cc1 ZINC000020056114 175149702 /nfs/dbraw/zinc/14/97/02/175149702.db2.gz RWJCQTPMLLOBJV-UHFFFAOYSA-N 0 0 236.315 2.022 10 0 BEAERN COc1ccc(NCCCO)cc1Cl ZINC000041571243 175151186 /nfs/dbraw/zinc/15/11/86/175151186.db2.gz GXYTXXCKNDUUDK-UHFFFAOYSA-N 0 0 215.680 2.143 10 0 BEAERN COc1ccc(N[C@H](C)CCCO)cc1 ZINC000058826880 175154900 /nfs/dbraw/zinc/15/49/00/175154900.db2.gz RRASNKGCZNQMFK-SNVBAGLBSA-N 0 0 209.289 2.268 10 0 BEAERN COc1ccc(N[C@](C)(C(N)=O)C(C)C)cc1 ZINC000037941416 175156262 /nfs/dbraw/zinc/15/62/62/175156262.db2.gz WWKITDYCKXHLMJ-ZDUSSCGKSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccc(OC)c(CCC(C)=O)c1 ZINC000011631242 175165452 /nfs/dbraw/zinc/16/54/52/175165452.db2.gz VSHJVOQBBGHZMW-UHFFFAOYSA-N 0 0 208.257 2.225 10 0 BEAERN COc1ccc(OC)c2c1CCCC[C@H]2O ZINC000019727048 175170433 /nfs/dbraw/zinc/17/04/33/175170433.db2.gz ZAWJVGSDPOYSFT-SNVBAGLBSA-N 0 0 222.284 2.464 10 0 BEAERN COc1ccc(OC)c2c1NCC2(C)C ZINC000082594260 175170505 /nfs/dbraw/zinc/17/05/05/175170505.db2.gz UCOAIVILRFSUHA-UHFFFAOYSA-N 0 0 207.273 2.407 10 0 BEAERN COc1ccc(OC)c2c1C[C@H](C)CN2 ZINC000011633223 175170542 /nfs/dbraw/zinc/17/05/42/175170542.db2.gz HAIDAJGYSWYVAU-QMMMGPOBSA-N 0 0 207.273 2.308 10 0 BEAERN COc1ccc(OC)c2c1CCCC[C@@H]2O ZINC000019727047 175170863 /nfs/dbraw/zinc/17/08/63/175170863.db2.gz ZAWJVGSDPOYSFT-JTQLQIEISA-N 0 0 222.284 2.464 10 0 BEAERN COc1ccc([C@@H](N)C(F)F)cc1F ZINC000087688371 175179336 /nfs/dbraw/zinc/17/93/36/175179336.db2.gz BSJSZDJLQOBJEX-MRVPVSSYSA-N 0 0 205.179 2.099 10 0 BEAERN COc1ccc([C@@H](O)C2CC2)c(OC)c1 ZINC000036158443 175181032 /nfs/dbraw/zinc/18/10/32/175181032.db2.gz AILJQYXIGBQFLC-LBPRGKRZSA-N 0 0 208.257 2.147 10 0 BEAERN COc1ccc([C@@H]2OCOC[C@H]2C)cc1 ZINC000001599430 175186503 /nfs/dbraw/zinc/18/65/03/175186503.db2.gz ZHEZIDHIKDDZLJ-BXKDBHETSA-N 0 0 208.257 2.377 10 0 BEAERN COc1ccc([C@H](C(=O)[O-])[NH+]2CCCC2)cc1C ZINC000041303248 175187221 /nfs/dbraw/zinc/18/72/21/175187221.db2.gz ACPCACMIUOZVEO-CYBMUJFWSA-N 0 0 249.310 2.225 10 0 BEAERN COc1ccc([C@H](CC(=O)[O-])[NH+]2CCCC2)cc1 ZINC000006645502 175190530 /nfs/dbraw/zinc/19/05/30/175190530.db2.gz ZGIKMFWNEWMNMP-ZDUSSCGKSA-N 0 0 249.310 2.307 10 0 BEAERN COc1ccc2c(c1)CCC[C@@H]2n1nccc1N ZINC000019384881 175207465 /nfs/dbraw/zinc/20/74/65/175207465.db2.gz YYEFUWZJYSNOAE-ZDUSSCGKSA-N 0 0 243.310 2.400 10 0 BEAERN COc1ccc2c(c1)CC[C@@H](CC(C)=O)C2=O ZINC000005120838 175210125 /nfs/dbraw/zinc/21/01/25/175210125.db2.gz CIZOOAUTMGXOPZ-NSHDSACASA-N 0 0 232.279 2.419 10 0 BEAERN COc1ccc2c(c1)CN[C@H](C(F)(F)F)C2 ZINC000095761479 175210507 /nfs/dbraw/zinc/21/05/07/175210507.db2.gz OGPMRJBPAGCZJI-JTQLQIEISA-N 0 0 231.217 2.272 10 0 BEAERN COc1ccc2c(c1)CN[C@@H](C(F)(F)F)C2 ZINC000095761480 175211040 /nfs/dbraw/zinc/21/10/40/175211040.db2.gz OGPMRJBPAGCZJI-SNVBAGLBSA-N 0 0 231.217 2.272 10 0 BEAERN COc1ccc2c(c1)NC(=O)CC(C)=N2 ZINC000100879725 175211561 /nfs/dbraw/zinc/21/15/61/175211561.db2.gz HCWXFJRNUPKVOP-UHFFFAOYSA-N 0 0 204.229 2.130 10 0 BEAERN COc1ccc2c(c1)nc([C@H](C)O)n2C1CC1 ZINC000076079582 175219507 /nfs/dbraw/zinc/21/95/07/175219507.db2.gz HGZKEYDNBFZOKK-QMMMGPOBSA-N 0 0 232.283 2.433 10 0 BEAERN COc1ccc2c(c1OC)C[C@H](C)C2=O ZINC000021989874 175222533 /nfs/dbraw/zinc/22/25/33/175222533.db2.gz RRGLXSHXUVBPPY-ZETCQYMHSA-N 0 0 206.241 2.079 10 0 BEAERN COc1ccc2c3c1C(=O)CC[C@H]3CO2 ZINC000005813054 175224108 /nfs/dbraw/zinc/22/41/08/175224108.db2.gz FVNOBZGVALPCAP-ZETCQYMHSA-N 0 0 204.225 2.148 10 0 BEAERN COc1ccc2cc[nH]c2c1OC(C)=O ZINC000038271714 175225621 /nfs/dbraw/zinc/22/56/21/175225621.db2.gz FSCSFKKOTIIWTO-UHFFFAOYSA-N 0 0 205.213 2.102 10 0 BEAERN COc1ccc2oc(C(N)=O)c(OC(C)C)c2c1 ZINC000013603770 175231494 /nfs/dbraw/zinc/23/14/94/175231494.db2.gz MMKNKHIEUJNORL-UHFFFAOYSA-N 0 0 249.266 2.328 10 0 BEAERN COc1c2cc(OC)ccc2sc1C(N)=O ZINC000013603728 175232601 /nfs/dbraw/zinc/23/26/01/175232601.db2.gz WOYSHYDZQGNISB-UHFFFAOYSA-N 0 0 237.280 2.017 10 0 BEAERN COc1cccc(-c2nnc(Cl)o2)c1 ZINC000071512343 175237251 /nfs/dbraw/zinc/23/72/51/175237251.db2.gz ILRXTYMPLFATGY-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN COc1cccc(C(=O)[C@@H]2CCCOC2)c1 ZINC000082365627 175247532 /nfs/dbraw/zinc/24/75/32/175247532.db2.gz MYEUHCLFSPIVLM-LLVKDONJSA-N 0 0 220.268 2.305 10 0 BEAERN COc1cccc(CNC(=O)CC(C)(C)C)n1 ZINC000128318139 175261479 /nfs/dbraw/zinc/26/14/79/175261479.db2.gz ADNMMNMRCSFSMS-UHFFFAOYSA-N 0 0 236.315 2.143 10 0 BEAERN COc1cccc(CNc2ccc(=O)n(C)c2)c1 ZINC000037785502 175268896 /nfs/dbraw/zinc/26/88/96/175268896.db2.gz SKSFBPKGGLZIMI-UHFFFAOYSA-N 0 0 244.294 2.006 10 0 BEAERN COc1cccc(COc2ncccc2N)c1 ZINC000019513460 175269423 /nfs/dbraw/zinc/26/94/23/175269423.db2.gz NJPFVLFIKQTZIK-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1cccc(C[C@@H](O)Cc2cccnc2)c1 ZINC000053787700 175271528 /nfs/dbraw/zinc/27/15/28/175271528.db2.gz TVSMFWMRVXDHJH-CQSZACIVSA-N 0 0 243.306 2.236 10 0 BEAERN COc1cccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000190249992 175277225 /nfs/dbraw/zinc/27/72/25/175277225.db2.gz QDERATYTJLBLGQ-ZWNOBZJWSA-N 0 0 249.310 2.449 10 0 BEAERN COc1cccc(NCC(C)(C)CO)c1 ZINC000082711377 175277904 /nfs/dbraw/zinc/27/79/04/175277904.db2.gz BXDRAUQBEOAQMC-UHFFFAOYSA-N 0 0 209.289 2.126 10 0 BEAERN COc1cccc(NCCOC2CCCC2)n1 ZINC000104446518 175279377 /nfs/dbraw/zinc/27/93/77/175279377.db2.gz FGEZWOAPWSSJQX-UHFFFAOYSA-N 0 0 236.315 2.461 10 0 BEAERN COc1cccc(N[C@@H]2CCC[C@@H]2O)c1 ZINC000037689954 175279667 /nfs/dbraw/zinc/27/96/67/175279667.db2.gz UKSQVZQOJMECGH-NEPJUHHUSA-N 0 0 207.273 2.021 10 0 BEAERN COc1cccc(N[C@@H]2CCC[C@H]2O)c1 ZINC000037689956 175279930 /nfs/dbraw/zinc/27/99/30/175279930.db2.gz UKSQVZQOJMECGH-VXGBXAGGSA-N 0 0 207.273 2.021 10 0 BEAERN COc1cccc(OC)c1OCCC(C)=O ZINC000032014739 175281378 /nfs/dbraw/zinc/28/13/78/175281378.db2.gz CGNWTFGYJLGJAH-UHFFFAOYSA-N 0 0 224.256 2.062 10 0 BEAERN COc1cccc([C@@H](N)c2ccco2)c1 ZINC000041211508 175288958 /nfs/dbraw/zinc/28/89/58/175288958.db2.gz IAKGWTDIFHJSLM-GFCCVEGCSA-N 0 0 203.241 2.336 10 0 BEAERN COc1cccc([C@H](C)n2nc(C)cc2N)c1 ZINC000043664521 175294386 /nfs/dbraw/zinc/29/43/86/175294386.db2.gz VOIXMGNOIWCATI-JTQLQIEISA-N 0 0 231.299 2.392 10 0 BEAERN COc1cccc([C@H](N)c2noc(C3CC3)n2)c1 ZINC000036764292 175295217 /nfs/dbraw/zinc/29/52/17/175295217.db2.gz FFUOKYQHEISPKM-NSHDSACASA-N 0 0 245.282 2.004 10 0 BEAERN COc1cccc([C@H](O)c2cccnc2)c1 ZINC000037464749 175295858 /nfs/dbraw/zinc/29/58/58/175295858.db2.gz GAWZSLWDVWXAKD-ZDUSSCGKSA-N 0 0 215.252 2.172 10 0 BEAERN COc1cccc([C@H]2S[C@@H](C)C(=O)N2C)c1 ZINC000045030051 175296563 /nfs/dbraw/zinc/29/65/63/175296563.db2.gz CIMGNDBUESRXOC-QPUJVOFHSA-N 0 0 237.324 2.288 10 0 BEAERN COc1cccc2c(Br)nn(C)c21 ZINC000095930304 175298129 /nfs/dbraw/zinc/29/81/29/175298129.db2.gz OYOZGBXVCIOFQJ-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1cccc2c1NC(=O)OC2(C)C ZINC000003620320 175303928 /nfs/dbraw/zinc/30/39/28/175303928.db2.gz NIZXOVYCLLXMQN-UHFFFAOYSA-N 0 0 207.229 2.492 10 0 BEAERN COc1ccccc1-c1cc(=O)[nH]c(C2CC2)n1 ZINC000044119540 175308009 /nfs/dbraw/zinc/30/80/09/175308009.db2.gz BCXMHPMNALSRSG-UHFFFAOYSA-N 0 0 242.278 2.323 10 0 BEAERN COc1ccccc1C(=O)CN1CCCCC1 ZINC000034981339 175316564 /nfs/dbraw/zinc/31/65/64/175316564.db2.gz NGGNZBIUGFMJLQ-UHFFFAOYSA-N 0 0 233.311 2.364 10 0 BEAERN COc1ccccc1CCC(=O)N[C@H]1C[C@H]1C ZINC000171071735 175322185 /nfs/dbraw/zinc/32/21/85/175322185.db2.gz QVURTPIIZJQCRJ-PWSUYJOCSA-N 0 0 233.311 2.152 10 0 BEAERN COc1ccccc1C[C@@H](O)C[C@@H]1CCCO1 ZINC000043457743 175332440 /nfs/dbraw/zinc/33/24/40/175332440.db2.gz PNXONXAMWSJRKZ-OLZOCXBDSA-N 0 0 236.311 2.168 10 0 BEAERN COc1ccccc1C[C@H](C)n1nccc1N ZINC000037734843 175333390 /nfs/dbraw/zinc/33/33/90/175333390.db2.gz WWBASMKQFQAOEE-JTQLQIEISA-N 0 0 231.299 2.278 10 0 BEAERN COc1ccccc1NC(C)=C1CCOC1=O ZINC000004049844 175335799 /nfs/dbraw/zinc/33/57/99/175335799.db2.gz PWTMXXFSSKUZQM-KTKRTIGZSA-N 0 0 233.267 2.328 10 0 BEAERN COc1ccccc1NC[C@@H]1CCCO1 ZINC000020040076 175338031 /nfs/dbraw/zinc/33/80/31/175338031.db2.gz OOHYLJYRXOKLIY-JTQLQIEISA-N 0 0 207.273 2.286 10 0 BEAERN COc1ccccc1N[C@@H](C)C(=O)N1CCCC1 ZINC000057324350 175338499 /nfs/dbraw/zinc/33/84/99/175338499.db2.gz RGIBHXNQMMXNNH-NSHDSACASA-N 0 0 248.326 2.118 10 0 BEAERN COc1ccccc1N[C@H](CC(C)C)C(N)=O ZINC000037944850 175339086 /nfs/dbraw/zinc/33/90/86/175339086.db2.gz VPMGLMYSSFKLSH-LLVKDONJSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccccc1Oc1cc(N)ccn1 ZINC000043569413 175343021 /nfs/dbraw/zinc/34/30/21/175343021.db2.gz MUAHIMMYOBKFGC-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccccc1[C@H](C)CC(=O)N1CCCO1 ZINC000134212505 175350694 /nfs/dbraw/zinc/35/06/94/175350694.db2.gz GQEVBKXLBHJDGK-LLVKDONJSA-N 0 0 249.310 2.353 10 0 BEAERN COc1ccccc1[C@H](C)NCc1ncc[nH]1 ZINC000049714623 175352327 /nfs/dbraw/zinc/35/23/27/175352327.db2.gz IYMRFAIBULXWFI-JTQLQIEISA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccccc1[C@H]([NH2+]C1CCCC1)C(=O)[O-] ZINC000037969099 175353014 /nfs/dbraw/zinc/35/30/14/175353014.db2.gz BTSLEWRYYKWQRG-ZDUSSCGKSA-N 0 0 249.310 2.353 10 0 BEAERN COc1ccccc1[C@H](C)n1nccc1N ZINC000019262157 175353788 /nfs/dbraw/zinc/35/37/88/175353788.db2.gz QBPHHRXMTUSKCZ-VIFPVBQESA-N 0 0 217.272 2.083 10 0 BEAERN COc1cnc(C(=O)OC(C)(C)C)c(C)c1 ZINC000299888889 175381171 /nfs/dbraw/zinc/38/11/71/175381171.db2.gz ABQRVBPUHAUNHL-UHFFFAOYSA-N 0 0 223.272 2.354 10 0 BEAERN COc1nc(Cl)nc(C2CCCC2)n1 ZINC000072192377 175392459 /nfs/dbraw/zinc/39/24/59/175392459.db2.gz SKQNAJIPLMZQPL-UHFFFAOYSA-N 0 0 213.668 2.191 10 0 BEAERN COc1nc(N(C)Cc2cccs2)ccc1N ZINC000035716853 175392640 /nfs/dbraw/zinc/39/26/40/175392640.db2.gz PPNFNLOIURNCJP-UHFFFAOYSA-N 0 0 249.339 2.370 10 0 BEAERN COc1nc(N2CCc3ccccc32)ccc1N ZINC000037066471 175393737 /nfs/dbraw/zinc/39/37/37/175393737.db2.gz NPIWIMPTNIFOMN-UHFFFAOYSA-N 0 0 241.294 2.367 10 0 BEAERN COc1nc(NC(C2CC2)C2CC2)ccc1N ZINC000049234682 175395694 /nfs/dbraw/zinc/39/56/94/175395694.db2.gz CAELQAOAOPMRNL-UHFFFAOYSA-N 0 0 233.315 2.273 10 0 BEAERN COc1nc(N[C@H](C)Cc2ccco2)ccc1N ZINC000042586964 175395754 /nfs/dbraw/zinc/39/57/54/175395754.db2.gz HACMYASVZCALMB-SECBINFHSA-N 0 0 247.298 2.309 10 0 BEAERN COc1nc(N[C@@H](C)c2ccccn2)ccc1N ZINC000035694657 175396156 /nfs/dbraw/zinc/39/61/56/175396156.db2.gz OHTBNNHNSDEDGM-VIFPVBQESA-N 0 0 244.298 2.241 10 0 BEAERN COc1ncccc1-c1nc2cc(N)ccc2o1 ZINC000061444773 175404291 /nfs/dbraw/zinc/40/42/91/175404291.db2.gz WYJHAKJKITWVIL-UHFFFAOYSA-N 0 0 241.250 2.481 10 0 BEAERN COc1ncccc1C(=O)N[C@H](C)CC1CC1 ZINC000112604265 175405972 /nfs/dbraw/zinc/40/59/72/175405972.db2.gz BUBHPHOBLBIWIS-SECBINFHSA-N 0 0 234.299 2.009 10 0 BEAERN CS(=O)(=O)c1cccc(NC2CCCC2)c1 ZINC000037763239 175439428 /nfs/dbraw/zinc/43/94/28/175439428.db2.gz OXFMNXLRHJOEAN-UHFFFAOYSA-N 0 0 239.340 2.445 10 0 BEAERN C[C@@H](C(=O)[O-])[NH+]1CCC(Oc2ccccc2)CC1 ZINC000237483928 175625492 /nfs/dbraw/zinc/62/54/92/175625492.db2.gz ABFSIZAIFUWLFS-NSHDSACASA-N 0 0 249.310 2.003 10 0 BEAERN C[C@@H](Cc1ccccc1)n1nccc1N ZINC000039320443 175773790 /nfs/dbraw/zinc/77/37/90/175773790.db2.gz FBAMSFKKQIEHPX-JTQLQIEISA-N 0 0 201.273 2.269 10 0 BEAERN C[C@@H](NC(=O)C1CCCC1)c1ccncc1 ZINC000006125201 175827414 /nfs/dbraw/zinc/82/74/14/175827414.db2.gz CXOCBPLDUNCIOH-SNVBAGLBSA-N 0 0 218.300 2.449 10 0 BEAERN C[C@@H](NC(=O)c1cc(N)c[nH]1)c1ccsc1 ZINC000061330655 175847734 /nfs/dbraw/zinc/84/77/34/175847734.db2.gz ABTGPSXFIMIXCR-SSDOTTSWSA-N 0 0 235.312 2.149 10 0 BEAERN C[C@@H](NC(=O)c1ccc(O)cc1)c1ccco1 ZINC000035134877 175849030 /nfs/dbraw/zinc/84/90/30/175849030.db2.gz VVMHKFGSEUCOQS-SECBINFHSA-N 0 0 231.251 2.476 10 0 BEAERN C[C@@H](Nc1nc(Cl)nc(Cl)n1)C1CC1 ZINC000061518299 175936823 /nfs/dbraw/zinc/93/68/23/175936823.db2.gz JOMHKXVVUJRCSO-SCSAIBSYSA-N 0 0 233.102 2.389 10 0 BEAERN C[C@@H](O)CCNC(=O)CC(C)(C)c1ccccc1 ZINC000136033708 175956407 /nfs/dbraw/zinc/95/64/07/175956407.db2.gz FSDBDJNZPRFSFF-GFCCVEGCSA-N 0 0 249.354 2.241 10 0 BEAERN C[C@@H](O)Cc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000082430557 175990195 /nfs/dbraw/zinc/99/01/95/175990195.db2.gz JLFNCYIBVWVQEI-BBBLOLIVSA-N 0 0 224.304 2.287 10 0 BEAERN C[C@@H](O)c1ccccc1O[C@H]1CCCC[C@H]1O ZINC000103961568 175999988 /nfs/dbraw/zinc/99/99/88/175999988.db2.gz JWNWMCQNVLYHMK-QKCSRTOESA-N 0 0 236.311 2.422 10 0 BEAERN C[C@@H](O)c1ccccc1N1CCC[C@@H]1CCCO ZINC000052761080 176000092 /nfs/dbraw/zinc/00/00/92/176000092.db2.gz VWXLMMWTSBSDPV-CHWSQXEVSA-N 0 0 249.354 2.481 10 0 BEAERN C[C@@H](O)c1ccccc1NCc1cnn(C)c1 ZINC000049542603 176000375 /nfs/dbraw/zinc/00/03/75/176000375.db2.gz LIUUSCHTDKKZJM-SNVBAGLBSA-N 0 0 231.299 2.086 10 0 BEAERN C[C@@H](O)c1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000040390158 176000589 /nfs/dbraw/zinc/00/05/89/176000589.db2.gz GXEXZHZFGAUWAS-MNOVXSKESA-N 0 0 246.310 2.269 10 0 BEAERN C[C@@H](ON)c1ccc(Br)cc1 ZINC000019728756 176003223 /nfs/dbraw/zinc/00/32/23/176003223.db2.gz PCDWXUITARQEBC-ZCFIWIBFSA-N 0 0 216.078 2.400 10 0 BEAERN C[C@@H](Sc1nncn1C)c1ccc(N)cc1 ZINC000040909289 176011187 /nfs/dbraw/zinc/01/11/87/176011187.db2.gz WSNMNXDKCKHGDQ-MRVPVSSYSA-N 0 0 234.328 2.251 10 0 BEAERN C[C@@H](c1cc2cccnc2s1)N(O)C(N)=O ZINC000013762758 176012942 /nfs/dbraw/zinc/01/29/42/176012942.db2.gz LUNSFLGCWMZYJD-LURJTMIESA-N 0 0 237.284 2.127 10 0 BEAERN C[C@@H](c1ccc(F)c(F)c1)n1nccc1N ZINC000019689278 176014265 /nfs/dbraw/zinc/01/42/65/176014265.db2.gz ILRILRVSQTXMFE-ZETCQYMHSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@@H](c1ccccn1)n1ncc(Cl)c1N ZINC000043665312 176027327 /nfs/dbraw/zinc/02/73/27/176027327.db2.gz IXVQMUWIGKOBKP-ZETCQYMHSA-N 0 0 222.679 2.123 10 0 BEAERN C[C@@H](c1c[nH]cn1)c1ccccc1C=O ZINC000221591418 176035616 /nfs/dbraw/zinc/03/56/16/176035616.db2.gz WRFDNTNQHCBPMN-SECBINFHSA-N 0 0 200.241 2.374 10 0 BEAERN C[C@H](c1ccnn1C)c1nc([C@@H]2CC2(C)C)no1 ZINC000333768601 176038699 /nfs/dbraw/zinc/03/86/99/176038699.db2.gz DXNIXRJBCKIZSB-BDAKNGLRSA-N 0 0 246.314 2.468 10 0 BEAERN C[C@@H](c1nc2ccccc2c(=O)n1N)C(C)(C)C ZINC000082309791 176039063 /nfs/dbraw/zinc/03/90/63/176039063.db2.gz KSPKNGUTOUEHIM-VIFPVBQESA-N 0 0 245.326 2.260 10 0 BEAERN C[C@@H]1CC(=O)N(CCC(=O)c2ccc(F)cc2)C1 ZINC000062816941 176048394 /nfs/dbraw/zinc/04/83/94/176048394.db2.gz FNLPFJQLFIFJIZ-SNVBAGLBSA-N 0 0 249.285 2.267 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000037183495 176052784 /nfs/dbraw/zinc/05/27/84/176052784.db2.gz TXAIXBCNNUNUAV-RNCFNFMXSA-N 0 0 225.332 2.408 10 0 BEAERN C[C@@H]1CC(C)(C)Nc2c(C(N)=O)cccc21 ZINC000072416611 176052820 /nfs/dbraw/zinc/05/28/20/176052820.db2.gz NYJQHEVNPFYNDE-MRVPVSSYSA-N 0 0 218.300 2.483 10 0 BEAERN C[C@@H]1CCC(O)=C(C(=O)C(F)(F)F)C1 ZINC000100137924 176061097 /nfs/dbraw/zinc/06/10/97/176061097.db2.gz LRZQEIYNXWNUGL-RITPCOANSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H]1CCCCN1C(=O)c1ccc(O)cc1 ZINC000019837088 176069885 /nfs/dbraw/zinc/06/98/85/176069885.db2.gz MIWIOBXJABIOLT-SNVBAGLBSA-N 0 0 219.284 2.407 10 0 BEAERN C[C@@H]1CCCC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000062182838 176073756 /nfs/dbraw/zinc/07/37/56/176073756.db2.gz JYURMLPKIJNKIG-SNVBAGLBSA-N 0 0 234.299 2.154 10 0 BEAERN C[C@@H]1CCCC[C@H]1[N@H+](C)C(C)(C)C(=O)[O-] ZINC000042613702 176085606 /nfs/dbraw/zinc/08/56/06/176085606.db2.gz VPBVSRLICHJPHS-NXEZZACHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H]1CCCC[C@H]1NC(=O)CCc1ccnn1C ZINC000118946755 176086573 /nfs/dbraw/zinc/08/65/73/176086573.db2.gz HCMOVFQCAGQBMJ-DGCLKSJQSA-N 0 0 249.358 2.048 10 0 BEAERN C[C@@H]1CCCC[C@H]1OCc1nnsc1N ZINC000050831661 176089937 /nfs/dbraw/zinc/08/99/37/176089937.db2.gz TWWGCIQVKBATDC-VXNVDRBHSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@@H]1CCCN(C(=O)CCc2ccnn2C)CC1 ZINC000121313010 176091939 /nfs/dbraw/zinc/09/19/39/176091939.db2.gz JGHIHCZLBJWBFS-GFCCVEGCSA-N 0 0 249.358 2.001 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000019837480 176095693 /nfs/dbraw/zinc/09/56/93/176095693.db2.gz FDOLEMWGLGFUJT-SNVBAGLBSA-N 0 0 219.284 2.264 10 0 BEAERN C[C@@H]1CCCN1C(=O)N[C@H]1COc2ccccc21 ZINC000176042310 176105475 /nfs/dbraw/zinc/10/54/75/176105475.db2.gz QHSJLHXBMWPKDX-PWSUYJOCSA-N 0 0 246.310 2.314 10 0 BEAERN C[C@@H]1CCCN1c1cc2c(cc1N)NC(=O)CC2 ZINC000037910157 176111221 /nfs/dbraw/zinc/11/12/21/176111221.db2.gz BAWXWPDDPZNKHO-SECBINFHSA-N 0 0 245.326 2.142 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](CCO)C2)C1 ZINC000340262504 176112938 /nfs/dbraw/zinc/11/29/38/176112938.db2.gz FEBWWEDXDKQAEQ-JHJVBQTASA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](CO)CC1 ZINC000356041528 176126026 /nfs/dbraw/zinc/12/60/26/176126026.db2.gz GNCHWFPXJMOVSU-AGIUHOORSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@]1(O)CCC[C@H]1C ZINC000328042583 176127098 /nfs/dbraw/zinc/12/70/98/176127098.db2.gz XSDHPOZSQCDPGM-NRWUCQMLSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H](CCNC(=O)N(C)C)C1 ZINC000115487848 176137566 /nfs/dbraw/zinc/13/75/66/176137566.db2.gz VJCKXLVUVIQCJK-GHMZBOCLSA-N 0 0 212.337 2.474 10 0 BEAERN C[C@@H]1CCC[C@H](S(=O)(=O)c2ccccc2)O1 ZINC000090398430 176145779 /nfs/dbraw/zinc/14/57/79/176145779.db2.gz AFIIKHQFAIXQJB-PWSUYJOCSA-N 0 0 240.324 2.375 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](CO)CC1 ZINC000356041533 176146565 /nfs/dbraw/zinc/14/65/65/176146565.db2.gz GNCHWFPXJMOVSU-JHJVBQTASA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCCc2sc(N)c(C(=O)N(C)C)c21 ZINC000104278813 176153840 /nfs/dbraw/zinc/15/38/40/176153840.db2.gz OWNWMAFEOPSYAO-SSDOTTSWSA-N 0 0 238.356 2.472 10 0 BEAERN C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2N)C1 ZINC000040716626 176162659 /nfs/dbraw/zinc/16/26/59/176162659.db2.gz BKAHHRHNZUXFRV-MRVPVSSYSA-N 0 0 238.718 2.404 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(Cl)nc1 ZINC000162106628 176191403 /nfs/dbraw/zinc/19/14/03/176191403.db2.gz HKKISIMCRDIXIV-XCBNKYQSSA-N 0 0 240.690 2.099 10 0 BEAERN C[C@@H]1CCO[C@@H]1c1nc(C(C)(C)C)no1 ZINC000128725018 176192059 /nfs/dbraw/zinc/19/20/59/176192059.db2.gz VQAVMLDVASUYIM-SFYZADRCSA-N 0 0 210.277 2.465 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC2(C)C)O1 ZINC000119876221 176196277 /nfs/dbraw/zinc/19/62/77/176196277.db2.gz CSLREDOMCAWKEG-OUAUKWLOSA-N 0 0 225.332 2.249 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2F)O1 ZINC000122012257 176196836 /nfs/dbraw/zinc/19/68/36/176196836.db2.gz YBKBJIAFHOGTBC-HQJQHLMTSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2)O1 ZINC000125167164 176221607 /nfs/dbraw/zinc/22/16/07/176221607.db2.gz LCNVJIYMPNLIKG-RDDDGLTNSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CC[C@H](c2nc(-c3ncon3)no2)C1 ZINC000329634206 176235850 /nfs/dbraw/zinc/23/58/50/176235850.db2.gz XLKHKVRXFVZWSO-RQJHMYQMSA-N 0 0 220.232 2.023 10 0 BEAERN C[C@@H]1CC[C@]2(O)C(=O)CC[C@@H]3[C@@H]([C@@H]12)C3(C)C ZINC000261491097 176238145 /nfs/dbraw/zinc/23/81/45/176238145.db2.gz BEQYXBYLUJTQJC-PWRJXJELSA-N 0 0 222.328 2.399 10 0 BEAERN C[C@@H]1CN(Cc2ccc(Cl)cc2N)CCO1 ZINC000050442823 176302782 /nfs/dbraw/zinc/30/27/82/176302782.db2.gz MHVLPKSPZHAXMD-SECBINFHSA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1COc2c(N)cc(Br)cc2N1 ZINC000062533819 176348215 /nfs/dbraw/zinc/34/82/15/176348215.db2.gz RSALUYPCCQWPGQ-RXMQYKEDSA-N 0 0 243.104 2.224 10 0 BEAERN C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CC[N@@H+]1C ZINC000123943198 176370431 /nfs/dbraw/zinc/37/04/31/176370431.db2.gz VCHGUWOUJUHHKI-NEPJUHHUSA-N 0 0 240.391 2.364 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000128277090 176398751 /nfs/dbraw/zinc/39/87/51/176398751.db2.gz SBVZORIVNQJZLG-VYODUFISSA-N 0 0 236.702 2.273 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000052299101 176399380 /nfs/dbraw/zinc/39/93/80/176399380.db2.gz OJOQLMIOZWXTFG-RNCFNFMXSA-N 0 0 228.295 2.235 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000115360710 176399513 /nfs/dbraw/zinc/39/95/13/176399513.db2.gz FHWOKMVEWXIFSM-SKDRFNHKSA-N 0 0 233.286 2.382 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccoc1Br ZINC000193320243 176403788 /nfs/dbraw/zinc/40/37/88/176403788.db2.gz HSTPWDZPHKHSAE-VDTYLAMSSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nnc(-c2ccon2)s1 ZINC000287763105 176405937 /nfs/dbraw/zinc/40/59/37/176405937.db2.gz HNAKNNSJJKSXLT-VDTYLAMSSA-N 0 0 222.273 2.013 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncnc2sccc21 ZINC000134574138 176482376 /nfs/dbraw/zinc/48/23/76/176482376.db2.gz LTRYVXXGTIRXPW-IONNQARKSA-N 0 0 235.312 2.281 10 0 BEAERN C[C@H](C[NH2+][C@H]1CCCc2sccc21)C(=O)[O-] ZINC000061362339 176685842 /nfs/dbraw/zinc/68/58/42/176685842.db2.gz LQVSEPMAQADUCX-SCZZXKLOSA-N 0 0 239.340 2.436 10 0 BEAERN C[C@@H](NC(=O)c1cc2ccccc2o1)[C@H](C)CO ZINC000133502996 176710221 /nfs/dbraw/zinc/71/02/21/176710221.db2.gz URAVZJWGBUIYEK-NXEZZACHSA-N 0 0 247.294 2.180 10 0 BEAERN O=C(Nc1ccccn1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000665853275 487635236 /nfs/dbraw/zinc/63/52/36/487635236.db2.gz CQENKYMTYLPIPJ-ILWJIGKKSA-N 0 0 202.257 2.066 10 0 BEAERN C[C@H](NC(=O)C(C)(C)C)c1ccccc1N ZINC000037177841 176786080 /nfs/dbraw/zinc/78/60/80/176786080.db2.gz HEZVIILRDNFSQB-VIFPVBQESA-N 0 0 220.316 2.492 10 0 BEAERN C[C@H](NC(=O)Cn1cccc1)c1ccccc1 ZINC000005055429 176797023 /nfs/dbraw/zinc/79/70/23/176797023.db2.gz ZFQSYFATBMFAOM-LBPRGKRZSA-N 0 0 228.295 2.366 10 0 BEAERN C[C@H](Nc1ccc(N)cc1F)[C@@H]1CCCO1 ZINC000035734640 176933598 /nfs/dbraw/zinc/93/35/98/176933598.db2.gz GJECEGDTGICBQB-UFBFGSQYSA-N 0 0 224.279 2.387 10 0 BEAERN C[C@H](Nc1nccc2sccc21)C(=O)N(C)C ZINC000042571985 176939367 /nfs/dbraw/zinc/93/93/67/176939367.db2.gz HBYROGPUGDDSJQ-QMMMGPOBSA-N 0 0 249.339 2.185 10 0 BEAERN C[C@H](O)/C=C/c1ccc2c(c1)OCCCO2 ZINC000077330092 176940923 /nfs/dbraw/zinc/94/09/23/176940923.db2.gz HINAWRZFIZFDRF-FSIBCCDJSA-N 0 0 220.268 2.242 10 0 BEAERN C[C@@H](Oc1cccc(Cl)c1)[C@H](C)O ZINC000087138845 177005649 /nfs/dbraw/zinc/00/56/49/177005649.db2.gz JJZYAAZUKOCISV-JGVFFNPUSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@H](O)[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054933768 177012630 /nfs/dbraw/zinc/01/26/30/177012630.db2.gz NHLWCUKOVNVLMZ-BQBZGAKWSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@H](O)c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037691982 177017221 /nfs/dbraw/zinc/01/72/21/177017221.db2.gz KBJQSCPMZRYBAX-LEWSCRJBSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1cnc2c(Br)cccn12 ZINC000082695714 177017908 /nfs/dbraw/zinc/01/79/08/177017908.db2.gz TUUDJZOFHWNMKK-LURJTMIESA-N 0 0 241.088 2.150 10 0 BEAERN C[C@H](O)c1ccccc1NC1CCOCC1 ZINC000049542827 177018155 /nfs/dbraw/zinc/01/81/55/177018155.db2.gz FBKVVQLYABVGOE-JTQLQIEISA-N 0 0 221.300 2.331 10 0 BEAERN C[C@H](OCCC(N)=S)c1ccccc1 ZINC000019432615 177020951 /nfs/dbraw/zinc/02/09/51/177020951.db2.gz OPTYZGKZDGCPSH-VIFPVBQESA-N 0 0 209.314 2.440 10 0 BEAERN C[C@H](SC[C@H](O)CO)c1ccc(F)c(F)c1 ZINC000177407218 177027796 /nfs/dbraw/zinc/02/77/96/177027796.db2.gz AWURPRUECVORAH-IONNQARKSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@H](c1ccc(F)cc1)n1nccc1N ZINC000019689242 177033836 /nfs/dbraw/zinc/03/38/36/177033836.db2.gz NPLKYMSZVQVJAK-MRVPVSSYSA-N 0 0 205.236 2.214 10 0 BEAERN C[C@H](c1cccc(N)c1)N1CCCOC1=O ZINC000041054546 177036049 /nfs/dbraw/zinc/03/60/49/177036049.db2.gz UGDLGHHIDBDIIR-SECBINFHSA-N 0 0 220.272 2.172 10 0 BEAERN C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000082366584 177039064 /nfs/dbraw/zinc/03/90/64/177039064.db2.gz WUQVGKNYSGCODM-ZYHUDNBSSA-N 0 0 219.284 2.297 10 0 BEAERN C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003744889 177042081 /nfs/dbraw/zinc/04/20/81/177042081.db2.gz VJDFYOPYWBOWDZ-BXKDBHETSA-N 0 0 237.274 2.436 10 0 BEAERN C[C@H]1CC(=O)Nc2cccc(Cl)c2O1 ZINC000062525485 177062887 /nfs/dbraw/zinc/06/28/87/177062887.db2.gz OHUQKGOFTFCTLD-LURJTMIESA-N 0 0 211.648 2.450 10 0 BEAERN C[C@H]1CCC[N@H+](CC2(C(=O)[O-])CCCC2)C1 ZINC000049820202 177096365 /nfs/dbraw/zinc/09/63/65/177096365.db2.gz SQYKAFRAFHJISF-NSHDSACASA-N 0 0 225.332 2.363 10 0 BEAERN C[C@H]1CCCN(c2nc3sccn3c2C=O)C1 ZINC000022157379 177105783 /nfs/dbraw/zinc/10/57/83/177105783.db2.gz DLOUXTBIPWPCIF-VIFPVBQESA-N 0 0 249.339 2.445 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cc(F)c(N)c(F)c1 ZINC000063004070 177107841 /nfs/dbraw/zinc/10/78/41/177107841.db2.gz DJXFAXOWJYPANN-ZETCQYMHSA-N 0 0 240.253 2.172 10 0 BEAERN C[C@H]1CCC[N@@H+]1CC1(C(=O)[O-])CCCC1 ZINC000051286387 177109262 /nfs/dbraw/zinc/10/92/62/177109262.db2.gz NBKQERWXKDWXFZ-JTQLQIEISA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)Cc2nnsc2N)C1 ZINC000050815458 177121683 /nfs/dbraw/zinc/12/16/83/177121683.db2.gz BOAUKDHGUFTXDG-DTWKUNHWSA-N 0 0 240.376 2.131 10 0 BEAERN C[C@H]1[C@H](NC(=O)c2ccc(N)nc2)CCC[C@@H]1C ZINC000050698518 177122349 /nfs/dbraw/zinc/12/23/49/177122349.db2.gz AUMLUIQYKHJSGA-HOSYDEDBSA-N 0 0 247.342 2.218 10 0 BEAERN C[C@H]1CCC[C@@H](c2nc(-c3ncon3)no2)C1 ZINC000329632660 177123370 /nfs/dbraw/zinc/12/33/70/177123370.db2.gz WVMVBWXOGBPGBB-JGVFFNPUSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@H]1CCC[C@@H](Oc2ncc(N)cn2)C1 ZINC000040456105 177123537 /nfs/dbraw/zinc/12/35/37/177123537.db2.gz OEXAIGIVOUVQMM-WCBMZHEXSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@H]1CCCC(C(=O)C(F)(F)F)=C1O ZINC000100137909 177128596 /nfs/dbraw/zinc/12/85/96/177128596.db2.gz WDJMNYHBUNCQKM-WDSKDSINSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ncccc1O ZINC000037760598 177136125 /nfs/dbraw/zinc/13/61/25/177136125.db2.gz CCSZDVDQIIKZNJ-AXFHLTTASA-N 0 0 248.326 2.342 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NC1CCC(CO)CC1 ZINC000345187492 177138858 /nfs/dbraw/zinc/13/88/58/177138858.db2.gz LXVNPTHQEZLQID-YWPUVAFDSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1CCC[C@H](Oc2ncc(N)cn2)C1 ZINC000040456102 177139108 /nfs/dbraw/zinc/13/91/08/177139108.db2.gz OEXAIGIVOUVQMM-WPRPVWTQSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@H]1CCC[C@H](Oc2ccc(N)c(C(N)=O)c2)C1 ZINC000041670293 177139396 /nfs/dbraw/zinc/13/93/96/177139396.db2.gz FKPMJIZLNCJCEP-UWVGGRQHSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@H]1CCC[C@H]1c1nc(Cc2cncn2C)no1 ZINC000329598277 177143627 /nfs/dbraw/zinc/14/36/27/177143627.db2.gz JHUZQHVNMXAFMH-GXSJLCMTSA-N 0 0 246.314 2.298 10 0 BEAERN C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(N)cc1N ZINC000051728870 177153512 /nfs/dbraw/zinc/15/35/12/177153512.db2.gz WLPNYZWACAKBCX-VHSXEESVSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(F)c2)O1 ZINC000122047517 177197134 /nfs/dbraw/zinc/19/71/34/177197134.db2.gz TUTXNSTVIMUTIE-WRWORJQWSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@H]1CC[C@H](CO)CN1c1nc2ccccc2o1 ZINC000119352984 177202958 /nfs/dbraw/zinc/20/29/58/177202958.db2.gz FYEZLQUGSSRIJX-QWRGUYRKSA-N 0 0 246.310 2.425 10 0 BEAERN C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H](C)O1 ZINC000336231475 177211801 /nfs/dbraw/zinc/21/18/01/177211801.db2.gz MCUQUSTYEPBQER-IUCAKERBSA-N 0 0 249.301 2.304 10 0 BEAERN C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H](C)O1 ZINC000336231393 177212066 /nfs/dbraw/zinc/21/20/66/177212066.db2.gz BFFNBBRWDLGOGD-QWRGUYRKSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@H]1CN(C(=O)C2=CCCCC2)C[C@H](C)O1 ZINC000336468608 177213444 /nfs/dbraw/zinc/21/34/44/177213444.db2.gz XZLABYDEQUDUMM-QWRGUYRKSA-N 0 0 223.316 2.123 10 0 BEAERN C[C@H](C(=O)N1CCS[C@@H](C)C1)C(F)(F)F ZINC000334662832 177222134 /nfs/dbraw/zinc/22/21/34/177222134.db2.gz AKUMXFUXWRLHPU-NKWVEPMBSA-N 0 0 241.278 2.149 10 0 BEAERN C[C@H]1CN(Cc2ccccc2)CC(=O)[C@@H]1C ZINC000068592832 177264667 /nfs/dbraw/zinc/26/46/67/177264667.db2.gz XAROUNQNJBQCKU-NWDGAFQWSA-N 0 0 217.312 2.344 10 0 BEAERN C[C@H]1COCCN1Cc1ccc(Cl)c(N)c1 ZINC000035773473 177292010 /nfs/dbraw/zinc/29/20/10/177292010.db2.gz MNXXIRKDCVILTH-VIFPVBQESA-N 0 0 240.734 2.143 10 0 BEAERN C[C@H]1COCCN1Cc1cc(N)ccc1Cl ZINC000035773470 177292175 /nfs/dbraw/zinc/29/21/75/177292175.db2.gz NSDSMZNXKHVHQN-VIFPVBQESA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccc(Cl)nc1 ZINC000077657757 177299347 /nfs/dbraw/zinc/29/93/47/177299347.db2.gz CUXSZMGMLJXMIO-AOOOYVTPSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccoc1Cl ZINC000192318314 177299527 /nfs/dbraw/zinc/29/95/27/177299527.db2.gz RKLNCSGRFJHTAE-YUMQZZPRSA-N 0 0 243.690 2.182 10 0 BEAERN C[C@H]1COC[C@H](CCc2cccc(F)c2)[NH2+]1 ZINC000071525003 177299935 /nfs/dbraw/zinc/29/99/35/177299935.db2.gz YJCLAYFHACVXAX-GWCFXTLKSA-N 0 0 223.291 2.135 10 0 BEAERN C[C@H]1COC[C@H](CCc2ccccc2F)[NH2+]1 ZINC000071524995 177300449 /nfs/dbraw/zinc/30/04/49/177300449.db2.gz SJJYQOSMMAKIBA-JQWIXIFHSA-N 0 0 223.291 2.135 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1ccsc1 ZINC000075526747 177346744 /nfs/dbraw/zinc/34/67/44/177346744.db2.gz LSAKASFGABYOKV-WPRPVWTQSA-N 0 0 209.314 2.205 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000151220642 177347370 /nfs/dbraw/zinc/34/73/70/177347370.db2.gz ZEFNWVPVJWZHCV-CPCISQLKSA-N 0 0 225.238 2.032 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCc2cc(F)ccc2C1 ZINC000093790850 177347480 /nfs/dbraw/zinc/34/74/80/177347480.db2.gz RPHHSCNRYYTGMW-ZANVPECISA-N 0 0 248.301 2.302 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000075521624 177348069 /nfs/dbraw/zinc/34/80/69/177348069.db2.gz VTGCXHZDEFSJJA-WKEGUHRASA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)cc1N ZINC000052268182 177349229 /nfs/dbraw/zinc/34/92/29/177349229.db2.gz LFMZPZFVADHOKJ-WKEGUHRASA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nnc(C(F)(F)F)s1 ZINC000154297435 177350897 /nfs/dbraw/zinc/35/08/97/177350897.db2.gz UFKGVSCMWBFTIE-IMJSIDKUSA-N 0 0 223.223 2.377 10 0 BEAERN C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)C)CC[N@@H+]1C ZINC000123942966 177363862 /nfs/dbraw/zinc/36/38/62/177363862.db2.gz VCHGUWOUJUHHKI-NWDGAFQWSA-N 0 0 240.391 2.364 10 0 BEAERN C[C@H]1C[C@H](N2CCCC2=O)c2c(N)cccc2N1 ZINC000005798620 177366174 /nfs/dbraw/zinc/36/61/74/177366174.db2.gz TZWOYVQTRTVIIE-CABZTGNLSA-N 0 0 245.326 2.136 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000075531510 177382873 /nfs/dbraw/zinc/38/28/73/177382873.db2.gz CAHMTZVSSCSEPO-CMPLNLGQSA-N 0 0 215.296 2.243 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1cc(F)c(F)cc1F ZINC000120238387 177383115 /nfs/dbraw/zinc/38/31/15/177383115.db2.gz CXGBDCVBVDMWHQ-UPONEAKYSA-N 0 0 243.228 2.171 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCCc1cccc(F)c1 ZINC000075981942 177384418 /nfs/dbraw/zinc/38/44/18/177384418.db2.gz GWDPOTAVQMYMRY-JOYOIKCWSA-N 0 0 236.290 2.076 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(N(C)C)cc1F ZINC000123372464 177384685 /nfs/dbraw/zinc/38/46/85/177384685.db2.gz ILWUWTISTYTKHI-QPUJVOFHSA-N 0 0 236.290 2.030 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2c(c1)CCCN2 ZINC000052289768 177384858 /nfs/dbraw/zinc/38/48/58/177384858.db2.gz VBATYTCYUPLMDR-TVQRCGJNSA-N 0 0 230.311 2.183 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(-c2ccccc2)no1 ZINC000075513421 177384999 /nfs/dbraw/zinc/38/49/99/177384999.db2.gz KSBSOXRIGUOUQX-GXSJLCMTSA-N 0 0 242.278 2.480 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cn(C)c2ccccc12 ZINC000075526305 177385449 /nfs/dbraw/zinc/38/54/49/177385449.db2.gz APZSAHVMDYXYIA-JOYOIKCWSA-N 0 0 228.295 2.317 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccccc1OC(F)F ZINC000171056788 177385641 /nfs/dbraw/zinc/38/56/41/177385641.db2.gz HJGVJNOJYXGJSB-IONNQARKSA-N 0 0 241.237 2.426 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccnc2ccccc21 ZINC000075526001 177385707 /nfs/dbraw/zinc/38/57/07/177385707.db2.gz FGDNYYSEWFRDIU-TVQRCGJNSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@H]1c1ccc(Cn2nccc2N)o1 ZINC000019689306 177387517 /nfs/dbraw/zinc/38/75/17/177387517.db2.gz JERNGQKRMBYCJB-WCBMZHEXSA-N 0 0 217.272 2.230 10 0 BEAERN C[C@H]1Cc2c(cnn2-c2ccccc2)[C@H](O)C1 ZINC000072415611 177388093 /nfs/dbraw/zinc/38/80/93/177388093.db2.gz ZUEHBCOOXCCMKK-IINYFYTJSA-N 0 0 228.295 2.488 10 0 BEAERN C[C@H]1Cc2cc([C@H](O)[C@@H]3CCCOC3)ccc2O1 ZINC000062239948 177388603 /nfs/dbraw/zinc/38/86/03/177388603.db2.gz AOJUXLIRBRJSJZ-NVBFEUDRSA-N 0 0 248.322 2.470 10 0 BEAERN C[C@H]1Cc2cc(N)ccc2N1C(=O)C1CCC1 ZINC000036742617 177388871 /nfs/dbraw/zinc/38/88/71/177388871.db2.gz GFMXNXUOGYWXKI-VIFPVBQESA-N 0 0 230.311 2.347 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CCC(C)(C)C ZINC000334622840 177435703 /nfs/dbraw/zinc/43/57/03/177435703.db2.gz PTTYHQBSVVPSGP-WDEREUQCSA-N 0 0 227.348 2.185 10 0 BEAERN C[C@](C(=O)[O-])(c1cccc(F)c1)[NH+]1CCCC1 ZINC000037360045 177441024 /nfs/dbraw/zinc/44/10/24/177441024.db2.gz VNOLWAZXYLVRTQ-CYBMUJFWSA-N 0 0 237.274 2.221 10 0 BEAERN C[C@]([NH3+])(Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000238515019 177444383 /nfs/dbraw/zinc/44/43/83/177444383.db2.gz MENMPBUDAVKYGS-JTQLQIEISA-N 0 0 248.109 2.338 10 0 BEAERN Cc1[nH]c(=S)sc1CC(=O)N[C@H]1C[C@@H]1C ZINC000171054837 177504849 /nfs/dbraw/zinc/50/48/49/177504849.db2.gz ZRSOTIVILPAFSP-FSPLSTOPSA-N 0 0 242.369 2.181 10 0 BEAERN Cc1[nH]cc(N)c1C(=O)c1ccccc1F ZINC000082286638 177517617 /nfs/dbraw/zinc/51/76/17/177517617.db2.gz YSBJGEWDKMZUQX-UHFFFAOYSA-N 0 0 218.231 2.275 10 0 BEAERN Cc1[nH]cc2c1c(=O)n(O)c1ccccc21 ZINC000038812676 177518636 /nfs/dbraw/zinc/51/86/36/177518636.db2.gz OOZBBAKJRVIBCB-UHFFFAOYSA-N 0 0 214.224 2.029 10 0 BEAERN Cc1c(N)cccc1C(=O)N[C@@H](C)C(C)C ZINC000020522401 177612330 /nfs/dbraw/zinc/61/23/30/177612330.db2.gz LFQDDVSZBSKNBJ-JTQLQIEISA-N 0 0 220.316 2.352 10 0 BEAERN Cc1c(N)cccc1NC(=O)[C@H](C)OC1CCC1 ZINC000050519114 177614436 /nfs/dbraw/zinc/61/44/36/177614436.db2.gz VROFGTZOMINILX-JTQLQIEISA-N 0 0 248.326 2.473 10 0 BEAERN Cc1c(N)n[nH]c1-c1ccc(F)cc1F ZINC000036936055 177615580 /nfs/dbraw/zinc/61/55/80/177615580.db2.gz HCIHIZLOZSIUBU-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000481447281 225214750 /nfs/dbraw/zinc/21/47/50/225214750.db2.gz ANRUMOIHEXZFOR-BJDJZHNGSA-N 0 0 240.347 2.042 10 0 BEAERN CO[C@H](CN[C@H](C)c1ncc(C)o1)C1CC1 ZINC000400257925 226338483 /nfs/dbraw/zinc/33/84/83/226338483.db2.gz RNTKLXCYLGZUOQ-MWLCHTKSSA-N 0 0 224.304 2.059 10 0 BEAERN CCC1(C(=O)N[C@H]2CCC[C@H](O)C2)CCCC1 ZINC000674917232 487654607 /nfs/dbraw/zinc/65/46/07/487654607.db2.gz DHUKWYJLQWSQMV-RYUDHWBXSA-N 0 0 239.359 2.377 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000408025158 487660002 /nfs/dbraw/zinc/66/00/02/487660002.db2.gz ONOASHVESGJOOK-RHYQMDGZSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000680927892 487672599 /nfs/dbraw/zinc/67/25/99/487672599.db2.gz OMBUYRDEWDCGHF-SRVKXCTJSA-N 0 0 227.348 2.088 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)OCC(F)(F)F ZINC000231694520 262916974 /nfs/dbraw/zinc/91/69/74/262916974.db2.gz HTVKEIKGORHVLS-BQBZGAKWSA-N 0 0 225.210 2.464 10 0 BEAERN O=c1c2c([n-]n1-c1ccc(F)cc1F)CCC2 ZINC000104707190 487713173 /nfs/dbraw/zinc/71/31/73/487713173.db2.gz BVJIVMNSSNTXDP-MRVPVSSYSA-N 0 0 236.221 2.468 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCC[C@H](O)C1 ZINC000665692725 487731681 /nfs/dbraw/zinc/73/16/81/487731681.db2.gz ONUNYNYEOJYETA-QWRGUYRKSA-N 0 0 235.331 2.315 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@H](CCO)C1 ZINC000665698720 487733022 /nfs/dbraw/zinc/73/30/22/487733022.db2.gz LDAWXAASNRMGEP-LBPRGKRZSA-N 0 0 249.358 2.199 10 0 BEAERN Cc1csc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000250898929 487744376 /nfs/dbraw/zinc/74/43/76/487744376.db2.gz LTTPWVSBYVMEPJ-ILWJIGKKSA-N 0 0 236.340 2.114 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000681241741 487757832 /nfs/dbraw/zinc/75/78/32/487757832.db2.gz POYCBMHQZDFBDW-SDDRHHMPSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1nn(CCOc2ccccc2)c(C)c1N ZINC000043458172 487776902 /nfs/dbraw/zinc/77/69/02/487776902.db2.gz YKOSUCZOANCAQN-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN Cc1cc(C(=O)NCc2ccnn2C)sc1C ZINC000047458061 487782909 /nfs/dbraw/zinc/78/29/09/487782909.db2.gz UNTSROVQHIGJLQ-UHFFFAOYSA-N 0 0 249.339 2.028 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cc(C(C)(C)C)ncn1 ZINC000310361226 487801380 /nfs/dbraw/zinc/80/13/80/487801380.db2.gz KIAWXAKVGSJTGM-VHSXEESVSA-N 0 0 235.331 2.363 10 0 BEAERN CC(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000496019965 527827349 /nfs/dbraw/zinc/82/73/49/527827349.db2.gz JJQWSENDONVHGW-HBNTYKKESA-N 0 0 239.315 2.079 10 0 BEAERN CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000676334625 487839186 /nfs/dbraw/zinc/83/91/86/487839186.db2.gz BOTFKCDFZHHMSN-CHWSQXEVSA-N 0 0 247.338 2.282 10 0 BEAERN CC1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000681961468 487872976 /nfs/dbraw/zinc/87/29/76/487872976.db2.gz MZFUJPOTQXGQQZ-VXGBXAGGSA-N 0 0 239.359 2.377 10 0 BEAERN CC1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCCCC1 ZINC000681961463 487872849 /nfs/dbraw/zinc/87/28/49/487872849.db2.gz MZFUJPOTQXGQQZ-NEPJUHHUSA-N 0 0 239.359 2.377 10 0 BEAERN CC[C@H]1CC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304149676 487873931 /nfs/dbraw/zinc/87/39/31/487873931.db2.gz CDCRHKKYBWYEIF-JTQLQIEISA-N 0 0 234.299 2.012 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000083407071 487906812 /nfs/dbraw/zinc/90/68/12/487906812.db2.gz FNULAZXOGDXQNQ-WDEREUQCSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1cnc(NC(C)(C)COC(C)C)nc1 ZINC000396365220 487917569 /nfs/dbraw/zinc/91/75/69/487917569.db2.gz LKCJZXCDKYVLLI-UHFFFAOYSA-N 0 0 223.320 2.401 10 0 BEAERN C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000253066232 487927186 /nfs/dbraw/zinc/92/71/86/487927186.db2.gz IZNNANQNJVYQKF-CSYMLDBXSA-N 0 0 207.317 2.289 10 0 BEAERN Cc1ccc(-c2nc(C(N)=O)cs2)cc1 ZINC000048387337 322845780 /nfs/dbraw/zinc/84/57/80/322845780.db2.gz XDELSFKRENSZFQ-UHFFFAOYSA-N 0 0 218.281 2.217 10 0 BEAERN Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000128135013 323006407 /nfs/dbraw/zinc/00/64/07/323006407.db2.gz SHZVHLOFCDUJFP-AAEUAGOBSA-N 0 0 233.311 2.179 10 0 BEAERN CC[C@@H](C)OCC(=O)N[C@H](C)C(C)(C)C ZINC000131829352 323013591 /nfs/dbraw/zinc/01/35/91/323013591.db2.gz IQTMBDFCAOBQLK-NXEZZACHSA-N 0 0 215.337 2.352 10 0 BEAERN CCC1(CNC(=O)[C@H](C)COC)CCCC1 ZINC000154915800 323059293 /nfs/dbraw/zinc/05/92/93/323059293.db2.gz WPBJUMBVEUPIQF-LLVKDONJSA-N 0 0 227.348 2.356 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CCCCC1(C)C ZINC000157385498 323069459 /nfs/dbraw/zinc/06/94/59/323069459.db2.gz QZUMMRAPRCUELB-QWRGUYRKSA-N 0 0 227.348 2.354 10 0 BEAERN CCCN(CC(C)(C)O)C(=O)C1CC(C)C1 ZINC000531477558 323098177 /nfs/dbraw/zinc/09/81/77/323098177.db2.gz XFFNYPKIGUYSJO-UHFFFAOYSA-N 0 0 227.348 2.042 10 0 BEAERN OC1CC(CNc2ccnc(C(F)(F)F)c2)C1 ZINC000310159655 323128402 /nfs/dbraw/zinc/12/84/02/323128402.db2.gz LNHYRHXHTPVRFK-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CCOC[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC000111277029 323159103 /nfs/dbraw/zinc/15/91/03/323159103.db2.gz MYNYJFJNUKLRTF-JTQLQIEISA-N 0 0 246.310 2.323 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cn2)O1 ZINC000134090232 323189756 /nfs/dbraw/zinc/18/97/56/323189756.db2.gz GKJGFCKXTMKFCL-APPZFPTMSA-N 0 0 240.690 2.241 10 0 BEAERN COc1ccc([C@]2(O)CCS[C@H]2C)cc1 ZINC000211606675 323195212 /nfs/dbraw/zinc/19/52/12/323195212.db2.gz GKFDHHJFWKWFML-CABZTGNLSA-N 0 0 224.325 2.408 10 0 BEAERN [NH3+][C@@H](C[C@H](CC(=O)[O-])C(F)(F)F)C1CCC1 ZINC000521401955 323201156 /nfs/dbraw/zinc/20/11/56/323201156.db2.gz SKLJFECGQHXLOG-SFYZADRCSA-N 0 0 239.237 2.157 10 0 BEAERN CC[C@@H]1CCN1Cc1nnsc1Cl ZINC000307560167 323321809 /nfs/dbraw/zinc/32/18/09/323321809.db2.gz HDALXXZASPLDBC-ZCFIWIBFSA-N 0 0 217.725 2.176 10 0 BEAERN O=C(NCCC1CCCC1)c1ccccn1 ZINC000044705196 323824770 /nfs/dbraw/zinc/82/47/70/323824770.db2.gz ALYIUYMDOVGHGR-UHFFFAOYSA-N 0 0 218.300 2.392 10 0 BEAERN CC(C)COC1CCN(C(=O)C2CC2)CC1 ZINC000055909718 323904366 /nfs/dbraw/zinc/90/43/66/323904366.db2.gz BXZQFNNGJAQNQW-UHFFFAOYSA-N 0 0 225.332 2.060 10 0 BEAERN CCn1ccnc1C[S@](=O)c1cccs1 ZINC000119791444 323937138 /nfs/dbraw/zinc/93/71/38/323937138.db2.gz RGJLJKAHBZYHDT-OAHLLOKOSA-N 0 0 240.353 2.272 10 0 BEAERN C[C@H]1CCCc2nc(C(C)(C)C)cc(=O)n21 ZINC000536950797 323955124 /nfs/dbraw/zinc/95/51/24/323955124.db2.gz KCNABPMGLMKMKI-VIFPVBQESA-N 0 0 220.316 2.438 10 0 BEAERN CC(C)c1cc(=O)n2c(n1)CC(C)(C)CC2 ZINC000536951478 323956749 /nfs/dbraw/zinc/95/67/49/323956749.db2.gz RFWCGMUCFFIAQF-UHFFFAOYSA-N 0 0 220.316 2.339 10 0 BEAERN [NH3+]C[C@@H](c1ccc(O)cc1)C1(C(=O)[O-])CCCC1 ZINC000536953048 323959811 /nfs/dbraw/zinc/95/98/11/323959811.db2.gz GQRGKUCIADYHIA-LBPRGKRZSA-N 0 0 249.310 2.080 10 0 BEAERN CC(C)Oc1cc2ccccc2c(N)n1 ZINC000536957338 323967698 /nfs/dbraw/zinc/96/76/98/323967698.db2.gz CCDGRCGALWVDKQ-UHFFFAOYSA-N 0 0 202.257 2.435 10 0 BEAERN COc1ccccc1N1CCC[C@H](C(C)=O)C1=O ZINC000536957681 323968563 /nfs/dbraw/zinc/96/85/63/323968563.db2.gz CXMJMIGEHOWRJU-LLVKDONJSA-N 0 0 247.294 2.027 10 0 BEAERN Cn1ccc(-c2ccc(C=O)cc2)c1C=O ZINC000536959079 323971050 /nfs/dbraw/zinc/97/10/50/323971050.db2.gz OKTIROUQVRYQTO-UHFFFAOYSA-N 0 0 213.236 2.317 10 0 BEAERN CCC[C@H](C(=O)NCC1(C)COC1)C(C)C ZINC000121943975 324023968 /nfs/dbraw/zinc/02/39/68/324023968.db2.gz QVQZVRWYAATDRY-NSHDSACASA-N 0 0 227.348 2.211 10 0 BEAERN C[C@]1(CNC(=O)NC2CCCCC2)CCCO1 ZINC000122504311 324047472 /nfs/dbraw/zinc/04/74/72/324047472.db2.gz GIYTUJNUQSVXAH-CYBMUJFWSA-N 0 0 240.347 2.187 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1(C)CCC1 ZINC000188992638 324184573 /nfs/dbraw/zinc/18/45/73/324184573.db2.gz MFOMHXIMBQXEGF-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN COCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000062226474 324211769 /nfs/dbraw/zinc/21/17/69/324211769.db2.gz OCEBWNWTLWJDBA-KGLIPLIRSA-N 0 0 247.338 2.333 10 0 BEAERN CCn1ccnc1Cn1ccnc1C1CC1 ZINC000530131579 324491390 /nfs/dbraw/zinc/49/13/90/324491390.db2.gz PGRNXPBIJKTDOD-UHFFFAOYSA-N 0 0 216.288 2.025 10 0 BEAERN CC(C)(C)NC(=O)CSCC1CC1 ZINC000126146888 324681528 /nfs/dbraw/zinc/68/15/28/324681528.db2.gz CPUUEHPOVDNHJG-UHFFFAOYSA-N 0 0 201.335 2.044 10 0 BEAERN Cc1cccc(CNC(=O)N2[C@H](C)CC[C@H]2C)n1 ZINC000127087311 324744605 /nfs/dbraw/zinc/74/46/05/324744605.db2.gz PBCNTLBCYURTMA-VXGBXAGGSA-N 0 0 247.342 2.472 10 0 BEAERN CC1(C)CCCC[C@H]1C(=O)NCC1CC(O)C1 ZINC000226624891 324805672 /nfs/dbraw/zinc/80/56/72/324805672.db2.gz IMGSDKWOGINQGS-MCIGGMRASA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000068543052 324881842 /nfs/dbraw/zinc/88/18/42/324881842.db2.gz GGKHBTCJXJCMIA-WDEREUQCSA-N 0 0 242.363 2.240 10 0 BEAERN CCCCNC(=O)N1CC[C@H](C(C)C)C1 ZINC000130003561 325003310 /nfs/dbraw/zinc/00/33/10/325003310.db2.gz IWHNVOUQJNOPGX-NSHDSACASA-N 0 0 212.337 2.474 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NCC(C)C ZINC000130200970 325023235 /nfs/dbraw/zinc/02/32/35/325023235.db2.gz SIYAFIFYABWHLY-UHFFFAOYSA-N 0 0 213.321 2.154 10 0 BEAERN C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C)C1 ZINC000542393013 325023828 /nfs/dbraw/zinc/02/38/28/325023828.db2.gz AZTUUXDGVDWJHU-YVECIDJPSA-N 0 0 239.359 2.042 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2C)o1 ZINC000070937683 325045555 /nfs/dbraw/zinc/04/55/55/325045555.db2.gz BPLHLDYTVVSCFV-SECBINFHSA-N 0 0 233.271 2.111 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)Nc1ccncc1 ZINC000130453153 325053137 /nfs/dbraw/zinc/05/31/37/325053137.db2.gz DPKHLKMILHJUCJ-UHFFFAOYSA-N 0 0 234.299 2.416 10 0 BEAERN Cc1ncsc1C(=O)NCc1cccc(C)n1 ZINC000130583243 325068935 /nfs/dbraw/zinc/06/89/35/325068935.db2.gz YCVDQLIZZAWRLT-UHFFFAOYSA-N 0 0 247.323 2.085 10 0 BEAERN CCCN(C(=O)[C@H](C)C1CCOCC1)C1CC1 ZINC000130698932 325081827 /nfs/dbraw/zinc/08/18/27/325081827.db2.gz RKTYQMJMEFTRLW-LLVKDONJSA-N 0 0 239.359 2.450 10 0 BEAERN CCC(C)(C)NC(=O)CSC1CCOCC1 ZINC000130790287 325088095 /nfs/dbraw/zinc/08/80/95/325088095.db2.gz KBTVWASMCKMRII-UHFFFAOYSA-N 0 0 245.388 2.203 10 0 BEAERN CC[C@H](SC)C(=O)NCCCCSC ZINC000130801026 325090373 /nfs/dbraw/zinc/09/03/73/325090373.db2.gz WKPJRUWXBVBZOD-VIFPVBQESA-N 0 0 235.418 2.387 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCCC2=CCCC2)O1 ZINC000131121042 325119376 /nfs/dbraw/zinc/11/93/76/325119376.db2.gz GAYBWUZUIYDUAX-ZYHUDNBSSA-N 0 0 223.316 2.171 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCCC2=CCCC2)O1 ZINC000131121241 325119456 /nfs/dbraw/zinc/11/94/56/325119456.db2.gz GAYBWUZUIYDUAX-CMPLNLGQSA-N 0 0 223.316 2.171 10 0 BEAERN CC(=O)c1c[nH]c(C(=O)NCCC2=CCCC2)c1 ZINC000131244835 325129125 /nfs/dbraw/zinc/12/91/25/325129125.db2.gz FDIZIYLPHHEUIR-UHFFFAOYSA-N 0 0 246.310 2.448 10 0 BEAERN CCOc1cccnc1C(=O)N1CC[C@H](CC)C1 ZINC000131252114 325130531 /nfs/dbraw/zinc/13/05/31/325130531.db2.gz WNTYEOZUFRRPLK-NSHDSACASA-N 0 0 248.326 2.352 10 0 BEAERN CS[C@H](C)CNC(=O)c1ccc(C)nc1C ZINC000131316701 325136618 /nfs/dbraw/zinc/13/66/18/325136618.db2.gz MVFQXFMVXNLESY-SECBINFHSA-N 0 0 238.356 2.180 10 0 BEAERN C[C@H]1CC[C@H](C)N1C(=O)NCc1cscn1 ZINC000131611740 325170581 /nfs/dbraw/zinc/17/05/81/325170581.db2.gz VDTGAWKRUBNXFD-IUCAKERBSA-N 0 0 239.344 2.226 10 0 BEAERN COC[C@@H](C)CNc1cccc(C(=O)OC)c1 ZINC000131721341 325179246 /nfs/dbraw/zinc/17/92/46/325179246.db2.gz HQCBHXQTSWIBOF-JTQLQIEISA-N 0 0 237.299 2.168 10 0 BEAERN CSCCCc1nc(-c2ccccn2)no1 ZINC000132586989 325227154 /nfs/dbraw/zinc/22/71/54/325227154.db2.gz PFDSDICIENAYPU-UHFFFAOYSA-N 0 0 235.312 2.427 10 0 BEAERN Cc1cccc(CC(=O)N[C@H]2C[C@H]2C)c1 ZINC000075509460 325298448 /nfs/dbraw/zinc/29/84/48/325298448.db2.gz QIJNMVJZOYPMMF-PWSUYJOCSA-N 0 0 203.285 2.062 10 0 BEAERN CS[C@@H](C)CNC(=O)N[C@@H](C)C(C)C ZINC000133682069 325309101 /nfs/dbraw/zinc/30/91/01/325309101.db2.gz YPVFXXNDCWRIOJ-IUCAKERBSA-N 0 0 218.366 2.082 10 0 BEAERN CS[C@H](C)CNC(=O)N1CCCC1(C)C ZINC000133878017 325326283 /nfs/dbraw/zinc/32/62/83/325326283.db2.gz IAXXNRJBHLOOFP-SECBINFHSA-N 0 0 230.377 2.322 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)CC(C)(C)C ZINC000076366291 325342245 /nfs/dbraw/zinc/34/22/45/325342245.db2.gz FXZUMOLCXYYLSE-NXEZZACHSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1ncn(CC(=O)Nc2ccccc2F)c1C ZINC000134590623 325366531 /nfs/dbraw/zinc/36/65/31/325366531.db2.gz JOLKFSDKEXLUNJ-UHFFFAOYSA-N 0 0 247.273 2.278 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)[C@@H](C)OC ZINC000134721711 325373296 /nfs/dbraw/zinc/37/32/96/325373296.db2.gz YKMVKSKWSDYPKT-GHMZBOCLSA-N 0 0 213.321 2.203 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2cnn(C)c2)o1 ZINC000134933183 325383344 /nfs/dbraw/zinc/38/33/44/325383344.db2.gz HXAYKCUZXBQLBC-UHFFFAOYSA-N 0 0 233.271 2.136 10 0 BEAERN COc1cc(OC)nc(NC[C@@H](C)C(C)C)n1 ZINC000135004425 325388019 /nfs/dbraw/zinc/38/80/19/325388019.db2.gz OIBMYSKZAVQNTM-SECBINFHSA-N 0 0 239.319 2.198 10 0 BEAERN Fc1cnc(N[C@H]2COc3ccccc32)nc1 ZINC000135393601 325410652 /nfs/dbraw/zinc/41/06/52/325410652.db2.gz MWGNRIZDKRHPOG-JTQLQIEISA-N 0 0 231.230 2.161 10 0 BEAERN CCc1cnccc1C(=O)NCCC(C)C ZINC000136048913 325438933 /nfs/dbraw/zinc/43/89/33/325438933.db2.gz QVWRKUPZCKYWGY-UHFFFAOYSA-N 0 0 220.316 2.420 10 0 BEAERN CC(C)COCCNc1cccc(F)n1 ZINC000136180215 325445158 /nfs/dbraw/zinc/44/51/58/325445158.db2.gz MGVPUNPRZIBACJ-UHFFFAOYSA-N 0 0 212.268 2.305 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2C)C1 ZINC000245484323 325506771 /nfs/dbraw/zinc/50/67/71/325506771.db2.gz HEUWHRUWBWTLJE-WOPDTQHZSA-N 0 0 224.348 2.472 10 0 BEAERN Cc1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000246534451 325570963 /nfs/dbraw/zinc/57/09/63/325570963.db2.gz PRTWPJTZGRDCFK-JZYVYDRUSA-N 0 0 219.288 2.093 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)O1 ZINC000248631819 325615325 /nfs/dbraw/zinc/61/53/25/325615325.db2.gz WRKIVMYXBSORSV-KIJLLGNVSA-N 0 0 239.359 2.495 10 0 BEAERN CCN(CCO)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000163088544 325768631 /nfs/dbraw/zinc/76/86/31/325768631.db2.gz YSNWBJPBNIFJMN-QWHCGFSZSA-N 0 0 239.359 2.044 10 0 BEAERN CCCC[C@H](CC)COC(=O)[C@@H]1CO1 ZINC000060121539 487970643 /nfs/dbraw/zinc/97/06/43/487970643.db2.gz CRHQOSXUXQSUQY-UWVGGRQHSA-N 0 0 200.278 2.145 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCC1(C2CC2)CCC1 ZINC000155258247 326190245 /nfs/dbraw/zinc/19/02/45/326190245.db2.gz FNXJDPWJVMRISZ-GXSJLCMTSA-N 0 0 222.332 2.274 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000156530783 326234578 /nfs/dbraw/zinc/23/45/78/326234578.db2.gz QAIWMTKPUSUHTG-CABZTGNLSA-N 0 0 235.283 2.207 10 0 BEAERN CCC[C@@H](O)CNc1nc(C)cc(C(C)C)n1 ZINC000134447660 487983387 /nfs/dbraw/zinc/98/33/87/487983387.db2.gz ZKKBKFOMOLCOCZ-LLVKDONJSA-N 0 0 237.347 2.481 10 0 BEAERN Cc1ccccc1C(=O)NCC[C@@H]1CCCO1 ZINC000074217289 487995562 /nfs/dbraw/zinc/99/55/62/487995562.db2.gz HNTHUOMMCYVBAE-LBPRGKRZSA-N 0 0 233.311 2.294 10 0 BEAERN Cc1nn(C)cc1-c1ccc(C)cc1N ZINC000134873433 488002832 /nfs/dbraw/zinc/00/28/32/488002832.db2.gz RKYGZNWQYNYDNG-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CN1c2cc(N)ccc2C=C2C=CC(N)=CC21 ZINC000584640742 488022556 /nfs/dbraw/zinc/02/25/56/488022556.db2.gz NLROCEWTIPMDKX-UHFFFAOYSA-N 0 0 224.287 2.046 10 0 BEAERN Nc1ccc2c(c1)C1(CCCC1)C(=O)N2 ZINC000057937820 488049045 /nfs/dbraw/zinc/04/90/45/488049045.db2.gz JQDIPXUDEHVBKN-UHFFFAOYSA-N 0 0 202.257 2.033 10 0 BEAERN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000673906585 487475882 /nfs/dbraw/zinc/47/58/82/487475882.db2.gz RMWBPPWHKVMYRP-GHMZBOCLSA-N 0 0 227.348 2.232 10 0 BEAERN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000673906586 487475949 /nfs/dbraw/zinc/47/59/49/487475949.db2.gz RMWBPPWHKVMYRP-MNOVXSKESA-N 0 0 227.348 2.232 10 0 BEAERN Cc1ccc(CCC(=O)NCCOC(C)C)cc1 ZINC000062317060 487497631 /nfs/dbraw/zinc/49/76/31/487497631.db2.gz MLAAKVXDGCFOCK-UHFFFAOYSA-N 0 0 249.354 2.469 10 0 BEAERN Cn1c2ccccc2nc1N[C@@H]1CCC[C@@H](O)C1 ZINC000677807656 487503499 /nfs/dbraw/zinc/50/34/99/487503499.db2.gz MNCZFKFPZNEGCX-GHMZBOCLSA-N 0 0 245.326 2.289 10 0 BEAERN Cn1c2ccccc2nc1N[C@H]1CCC[C@@H](O)C1 ZINC000677807659 487503750 /nfs/dbraw/zinc/50/37/50/487503750.db2.gz MNCZFKFPZNEGCX-WDEREUQCSA-N 0 0 245.326 2.289 10 0 BEAERN C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(C)(C)C ZINC000112307931 487515264 /nfs/dbraw/zinc/51/52/64/487515264.db2.gz YXEXHMQEYSIDIM-SECBINFHSA-N 0 0 249.358 2.453 10 0 BEAERN O=C(Nc1ccccc1O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300451693 487517271 /nfs/dbraw/zinc/51/72/71/487517271.db2.gz AIUIKGUEQGJANH-ILWJIGKKSA-N 0 0 217.268 2.377 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)n2ncnc2n1 ZINC000645382893 487946703 /nfs/dbraw/zinc/94/67/03/487946703.db2.gz SGGYCVYVFWVFOH-HBNTYKKESA-N 0 0 243.314 2.033 10 0 BEAERN CCOc1cccc(N[C@H]2CO[C@H](C3CC3)C2)n1 ZINC000667906901 488152553 /nfs/dbraw/zinc/15/25/53/488152553.db2.gz ATTITONXUBETCW-NEPJUHHUSA-N 0 0 248.326 2.460 10 0 BEAERN Cc1cncc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667912384 488154333 /nfs/dbraw/zinc/15/43/33/488154333.db2.gz HDTOJHBGWLIBOU-OLZOCXBDSA-N 0 0 218.300 2.369 10 0 BEAERN C[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000394780103 488155225 /nfs/dbraw/zinc/15/52/25/488155225.db2.gz GAVTVIMRFWTDCF-FDYHWXHSSA-N 0 0 239.359 2.465 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000404598843 488170375 /nfs/dbraw/zinc/17/03/75/488170375.db2.gz UMNAGYHKWCFBKO-PWSUYJOCSA-N 0 0 247.342 2.121 10 0 BEAERN CC(F)(F)CCC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000673388098 488284070 /nfs/dbraw/zinc/28/40/70/488284070.db2.gz PBSVIEMVHGDTLN-NXEZZACHSA-N 0 0 249.301 2.232 10 0 BEAERN CCc1cc(N[C@@H]2CCC[C@@H](O)C2)nc(C)n1 ZINC000679836935 488367536 /nfs/dbraw/zinc/36/75/36/488367536.db2.gz BHNNVCBUYSYAGT-VXGBXAGGSA-N 0 0 235.331 2.063 10 0 BEAERN CC(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000214705822 490050750 /nfs/dbraw/zinc/05/07/50/490050750.db2.gz JOSFJALFHUWUAY-JTQLQIEISA-N 0 0 241.331 2.469 10 0 BEAERN C[C@@H](CO)CN1c2ccccc2CC[C@@H]1C ZINC000120565271 490064416 /nfs/dbraw/zinc/06/44/16/490064416.db2.gz JYRMQAJKYVNWIJ-NEPJUHHUSA-N 0 0 219.328 2.456 10 0 BEAERN COC[C@@H](C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000110376634 490105403 /nfs/dbraw/zinc/10/54/03/490105403.db2.gz HCQWBPMNXVHWJX-DGCLKSJQSA-N 0 0 247.338 2.115 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000110376631 490105542 /nfs/dbraw/zinc/10/55/42/490105542.db2.gz HCQWBPMNXVHWJX-WCQYABFASA-N 0 0 247.338 2.115 10 0 BEAERN CCOC(=O)[C@]1(CC)CC[C@@H](C)[C@]1(C)O ZINC000584658707 490179492 /nfs/dbraw/zinc/17/94/92/490179492.db2.gz IRVBSOOKWNKBKR-USWWRNFRSA-N 0 0 214.305 2.127 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)O1 ZINC000246071828 490202549 /nfs/dbraw/zinc/20/25/49/490202549.db2.gz SEFILMHQPJMJOX-WISYIIOYSA-N 0 0 225.332 2.249 10 0 BEAERN CC(C)c1nn(C)cc1Br ZINC000078770743 490236553 /nfs/dbraw/zinc/23/65/53/490236553.db2.gz DVZCDEXRXWUCQK-UHFFFAOYSA-N 0 0 203.083 2.306 10 0 BEAERN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000253066234 490270647 /nfs/dbraw/zinc/27/06/47/490270647.db2.gz IZNNANQNJVYQKF-PZWNZHSQSA-N 0 0 207.317 2.289 10 0 BEAERN CC[C@](C)(CCO)Nc1ncnc2c1CCCC2 ZINC000217814931 490485856 /nfs/dbraw/zinc/48/58/56/490485856.db2.gz KBKGNOLKZAYACK-CQSZACIVSA-N 0 0 249.358 2.318 10 0 BEAERN CCCCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000220588100 490618722 /nfs/dbraw/zinc/61/87/22/490618722.db2.gz YYEUHHPFMYPLFZ-NSHDSACASA-N 0 0 249.358 2.129 10 0 BEAERN OCCCc1cccc(NCc2cncnc2)c1 ZINC000136223236 491054608 /nfs/dbraw/zinc/05/46/08/491054608.db2.gz TYEBSTIWJZIIAI-UHFFFAOYSA-N 0 0 243.310 2.014 10 0 BEAERN CCCN1c2ccccc2C2(CC2)C1=O ZINC000584646090 491071125 /nfs/dbraw/zinc/07/11/25/491071125.db2.gz MQQDHKKNDBMNKG-UHFFFAOYSA-N 0 0 201.269 2.475 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)NCCCF)o1 ZINC000137195681 491092940 /nfs/dbraw/zinc/09/29/40/491092940.db2.gz RJILYHJZGOPBTC-VIFPVBQESA-N 0 0 228.267 2.308 10 0 BEAERN C[C@@H]1CSC[C@]1(O)c1ccccc1F ZINC000307518691 491123183 /nfs/dbraw/zinc/12/31/83/491123183.db2.gz VKLJMCKHZKJNMB-LDYMZIIASA-N 0 0 212.289 2.396 10 0 BEAERN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@H]2C)s1 ZINC000124623394 491128122 /nfs/dbraw/zinc/12/81/22/491128122.db2.gz PJZCETQAGJCAFA-PSASIEDQSA-N 0 0 238.356 2.108 10 0 BEAERN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@H]1C ZINC000131858931 491133527 /nfs/dbraw/zinc/13/35/27/491133527.db2.gz WZOSNEOWUOHSDJ-NXEZZACHSA-N 0 0 238.356 2.190 10 0 BEAERN CCC[C@H](O)Cc1nc([C@H](C)CC)no1 ZINC000082563098 491148336 /nfs/dbraw/zinc/14/83/36/491148336.db2.gz MKRXDSWLBWACNF-BDAKNGLRSA-N 0 0 212.293 2.287 10 0 BEAERN CC(=O)c1cnc([C@@H](O)C2CCC2)s1 ZINC000757132352 582506886 /nfs/dbraw/zinc/50/68/86/582506886.db2.gz STTMGBHCTOETLL-VIFPVBQESA-N 0 0 211.286 2.179 10 0 BEAERN CC[C@@H](C)[C@H](O)c1nc(C(=O)OC)cs1 ZINC000757133803 582510354 /nfs/dbraw/zinc/51/03/54/582510354.db2.gz WUHMJIIWFGFSPR-SVRRBLITSA-N 0 0 229.301 2.009 10 0 BEAERN FCCN1C(=S)N=NC1c1cccc(F)c1 ZINC000757133821 582510580 /nfs/dbraw/zinc/51/05/80/582510580.db2.gz VDLNBADSFIHYJT-UHFFFAOYSA-N 0 0 241.266 2.342 10 0 BEAERN CC[C@@H]1CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757153860 582538626 /nfs/dbraw/zinc/53/86/26/582538626.db2.gz ZPZSBZKSFDYYRE-OCCSQVGLSA-N 0 0 239.359 2.452 10 0 BEAERN COCC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757155905 582539520 /nfs/dbraw/zinc/53/95/20/582539520.db2.gz DYPYAYJGZIZRDM-UHFFFAOYSA-N 0 0 212.676 2.406 10 0 BEAERN Cc1ccoc1CSC[C@@H](C)CO ZINC000757166434 582547572 /nfs/dbraw/zinc/54/75/72/582547572.db2.gz UBXHRXFLHWMXKM-QMMMGPOBSA-N 0 0 200.303 2.450 10 0 BEAERN CC[C@H](SCc1ccc(Cl)o1)C(N)=O ZINC000757170537 582550502 /nfs/dbraw/zinc/55/05/02/582550502.db2.gz QLXMWQVUOZTVNY-ZETCQYMHSA-N 0 0 233.720 2.430 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@H](c2ccccc2)[NH2+]1 ZINC000757216038 582560426 /nfs/dbraw/zinc/56/04/26/582560426.db2.gz OTGWKHMAHHGUKV-ADEWGFFLSA-N 0 0 219.284 2.200 10 0 BEAERN CC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000215085644 582687596 /nfs/dbraw/zinc/68/75/96/582687596.db2.gz RAJZCIOEJRDKLT-SNVBAGLBSA-N 0 0 227.304 2.223 10 0 BEAERN Nc1cccc(OCc2nc(C3CC3)no2)c1 ZINC000038055086 518197877 /nfs/dbraw/zinc/19/78/77/518197877.db2.gz GBJMBAPQDWDNCK-UHFFFAOYSA-N 0 0 231.255 2.108 10 0 BEAERN C1CC1c1noc(-c2n[nH]c3c2CCCC3)n1 ZINC000229003856 518578509 /nfs/dbraw/zinc/57/85/09/518578509.db2.gz JNNPWLQYBIIMRX-UHFFFAOYSA-N 0 0 230.271 2.216 10 0 BEAERN CC(C)c1ccc(N2CCNC2=O)cc1 ZINC000146160685 519836813 /nfs/dbraw/zinc/83/68/13/519836813.db2.gz YBGBAEWESINONS-UHFFFAOYSA-N 0 0 204.273 2.340 10 0 BEAERN CC(C)c1cccc(-n2cc[nH]c2=O)c1 ZINC000229013777 519840815 /nfs/dbraw/zinc/84/08/15/519840815.db2.gz LPSWHPOPLRNOSK-UHFFFAOYSA-N 0 0 202.257 2.289 10 0 BEAERN CC(=O)NCCc1nc(-c2ccccc2)oc1C ZINC000062093886 534464609 /nfs/dbraw/zinc/46/46/09/534464609.db2.gz DGJQMFWANHDYBC-UHFFFAOYSA-N 0 0 244.294 2.329 10 0 BEAERN CCOC(=O)C(C)(C)CCCC(C)=O ZINC000334163782 520414215 /nfs/dbraw/zinc/41/42/15/520414215.db2.gz FPBRSWXMVOLWOS-UHFFFAOYSA-N 0 0 200.278 2.335 10 0 BEAERN CC1=NO[C@H](CC(=O)OCc2ccccc2)C1 ZINC000072203304 520900259 /nfs/dbraw/zinc/90/02/59/520900259.db2.gz MJCDHTHWDBPTFN-LBPRGKRZSA-N 0 0 233.267 2.285 10 0 BEAERN Cc1noc(C)c1CC(=O)O[C@@H](C)C(C)C ZINC000127966553 582823488 /nfs/dbraw/zinc/82/34/88/582823488.db2.gz HDIXFUZOIXMNKY-VIFPVBQESA-N 0 0 225.288 2.422 10 0 BEAERN CN(C)[C@@H](CO)c1ccccc1Br ZINC000095532573 522033965 /nfs/dbraw/zinc/03/39/65/522033965.db2.gz AKLBBTPITRWLKV-JTQLQIEISA-N 0 0 244.132 2.044 10 0 BEAERN CC(C)(C)CNC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000336006962 534609259 /nfs/dbraw/zinc/60/92/59/534609259.db2.gz JGEDRLCNEMKEJY-ZJUUUORDSA-N 0 0 210.321 2.226 10 0 BEAERN COC(=O)c1ccc(OCC(C)(C)C)c(N)c1 ZINC000072226442 522143132 /nfs/dbraw/zinc/14/31/32/522143132.db2.gz PXLSWNJTXJXNAT-UHFFFAOYSA-N 0 0 237.299 2.480 10 0 BEAERN COC(=O)Cn1c2ccccc2nc1C(C)C ZINC000026438739 523388890 /nfs/dbraw/zinc/38/88/90/523388890.db2.gz SNRPCTWPCCVUSY-UHFFFAOYSA-N 0 0 232.283 2.333 10 0 BEAERN COC(=O)[C@@](C)(c1cccc(Cl)c1)N(C)C ZINC000095532543 523820165 /nfs/dbraw/zinc/82/01/65/523820165.db2.gz SZZRXQOWNBWHHH-GFCCVEGCSA-N 0 0 241.718 2.290 10 0 BEAERN CN1c2ccccc2C(=O)[C@@H]2C=CC=C[C@H]21 ZINC000242548417 524033623 /nfs/dbraw/zinc/03/36/23/524033623.db2.gz LKBQKXBDNZMHJZ-ZYHUDNBSSA-N 0 0 211.264 2.430 10 0 BEAERN COc1cccc([C@@H](O)c2c(C)noc2C)c1 ZINC000062709878 524105700 /nfs/dbraw/zinc/10/57/00/524105700.db2.gz NRXWYNIHIITYKA-CYBMUJFWSA-N 0 0 233.267 2.382 10 0 BEAERN COc1ccc2c(C)c(C)/c(=N\O)oc2c1 ZINC000032500162 525496382 /nfs/dbraw/zinc/49/63/82/525496382.db2.gz XKYDZDUSRIZDKJ-OUKQBFOZSA-N 0 0 219.240 2.348 10 0 BEAERN Cc1ccn2c(Br)ncc2c1 ZINC000107389742 525606808 /nfs/dbraw/zinc/60/68/08/525606808.db2.gz JYTSHTYUTMGFMU-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN Cc1ccc(-c2noc(-c3ccc[nH]3)n2)n1C ZINC000229003235 525869461 /nfs/dbraw/zinc/86/94/61/525869461.db2.gz TUBNGGBNOYOAPW-UHFFFAOYSA-N 0 0 228.255 2.379 10 0 BEAERN Cc1ccc(-c2noc([C@H](N)CC(C)C)n2)n1C ZINC000229002910 525886698 /nfs/dbraw/zinc/88/66/98/525886698.db2.gz VJBONRIFAHKLJW-SNVBAGLBSA-N 0 0 248.330 2.429 10 0 BEAERN CC(=O)c1cccc(N2CCCCC2=O)c1 ZINC000036904853 534889520 /nfs/dbraw/zinc/88/95/20/534889520.db2.gz WFSCOUWTMWHNHG-UHFFFAOYSA-N 0 0 217.268 2.406 10 0 BEAERN N[C@@H](c1noc(C(F)F)n1)c1ccc(F)cc1 ZINC000095532887 527340159 /nfs/dbraw/zinc/34/01/59/527340159.db2.gz UTJHWNJNVQBCTI-SSDOTTSWSA-N 0 0 243.188 2.194 10 0 BEAERN OCCSCc1ccc(O)c2ncccc12 ZINC000057347349 527559993 /nfs/dbraw/zinc/55/99/93/527559993.db2.gz OHVCPOSPWZTQQM-UHFFFAOYSA-N 0 0 235.308 2.166 10 0 BEAERN Nc1nc2ccc(C(F)(F)F)nc2s1 ZINC000228966323 527561105 /nfs/dbraw/zinc/56/11/05/527561105.db2.gz YIKXKONKPHPXNK-UHFFFAOYSA-N 0 0 219.191 2.292 10 0 BEAERN COC1(C(=O)N2C[C@H]3CCC[C@H]32)CCCCC1 ZINC000335339310 536527079 /nfs/dbraw/zinc/52/70/79/536527079.db2.gz RYJIOQRRCJMLNM-VXGBXAGGSA-N 0 0 237.343 2.347 10 0 BEAERN CC(C)(C)c1cc(=O)[nH]c(N2CCCCC2)n1 ZINC000022449038 535102161 /nfs/dbraw/zinc/10/21/61/535102161.db2.gz IVBSIICFXSVPJN-UHFFFAOYSA-N 0 0 235.331 2.058 10 0 BEAERN CC(C)CN1CCN(c2cccs2)C(=O)C1 ZINC000186059531 535105140 /nfs/dbraw/zinc/10/51/40/535105140.db2.gz RELFYVWPZWPHJW-UHFFFAOYSA-N 0 0 238.356 2.053 10 0 BEAERN CCC1(C(=O)N2C[C@H]3CCC[C@H]32)CCOCC1 ZINC000334225053 535235708 /nfs/dbraw/zinc/23/57/08/535235708.db2.gz APZSSMSCVDJEFI-VXGBXAGGSA-N 0 0 237.343 2.204 10 0 BEAERN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248475066 535297377 /nfs/dbraw/zinc/29/73/77/535297377.db2.gz MJHBUSTUJYLPNF-FMSGJZPZSA-N 0 0 239.359 2.352 10 0 BEAERN CCCN(CCC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000079487400 535319087 /nfs/dbraw/zinc/31/90/87/535319087.db2.gz VPAYDJUSVHRXLW-NWDGAFQWSA-N 0 0 242.363 2.386 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178543071 535340235 /nfs/dbraw/zinc/34/02/35/535340235.db2.gz NKLLLSVAJKVUEC-YPMHNXCESA-N 0 0 249.285 2.024 10 0 BEAERN CCCc1cc(N2CCC[C@H](CCO)C2)ncn1 ZINC000051895277 535397279 /nfs/dbraw/zinc/39/72/79/535397279.db2.gz IPCLCZYUKYVQML-GFCCVEGCSA-N 0 0 249.358 2.028 10 0 BEAERN CCOC1CCN(c2cccc(N)c2)CC1 ZINC000040689395 535401335 /nfs/dbraw/zinc/40/13/35/535401335.db2.gz PMSUMRUZKUFRKR-UHFFFAOYSA-N 0 0 220.316 2.274 10 0 BEAERN CCNC(=O)c1cccnc1N1CCC[C@H](C)C1 ZINC000064552302 535450901 /nfs/dbraw/zinc/45/09/01/535450901.db2.gz VDQYMSINWOIREM-NSHDSACASA-N 0 0 247.342 2.068 10 0 BEAERN CC[C@@H]1COCCN1c1ccc(N)cc1C ZINC000036322868 535837340 /nfs/dbraw/zinc/83/73/40/535837340.db2.gz GFUXYQSKFHIVTC-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@]1(C)CCCN(C(=O)[C@H](C)COC)C1 ZINC000173499664 535900816 /nfs/dbraw/zinc/90/08/16/535900816.db2.gz FDXCXZYXURCOAD-DGCLKSJQSA-N 0 0 227.348 2.308 10 0 BEAERN CC[C@@]1(C)CN(c2cc(C)c(C)nn2)CCO1 ZINC000302686464 536060015 /nfs/dbraw/zinc/06/00/15/536060015.db2.gz UAVZCZJSAHOMFY-ZDUSSCGKSA-N 0 0 235.331 2.099 10 0 BEAERN CC[C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000255842105 536108879 /nfs/dbraw/zinc/10/88/79/536108879.db2.gz FMUDOKYUBAHSKT-QJPTWQEYSA-N 0 0 225.332 2.203 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187658179 536143888 /nfs/dbraw/zinc/14/38/88/536143888.db2.gz PSBZYXYNKOAOPZ-VIFPVBQESA-N 0 0 246.310 2.052 10 0 BEAERN COC[C@@H](C)CNC(=O)Nc1ccccc1 ZINC000049176847 536504756 /nfs/dbraw/zinc/50/47/56/536504756.db2.gz MJUORZJSASWVPJ-JTQLQIEISA-N 0 0 222.288 2.091 10 0 BEAERN COC(=O)[C@H](CC(C)C)N1CCS[C@@H](C)C1 ZINC000352016505 536651482 /nfs/dbraw/zinc/65/14/82/536651482.db2.gz XREYJZPYQJIVEU-QWRGUYRKSA-N 0 0 245.388 2.011 10 0 BEAERN COC1CCN(c2c(N)ccc(F)c2F)CC1 ZINC000053164879 536755332 /nfs/dbraw/zinc/75/53/32/536755332.db2.gz YODALVDVJMAUKP-UHFFFAOYSA-N 0 0 242.269 2.162 10 0 BEAERN Cc1ncsc1I ZINC000148897533 537886665 /nfs/dbraw/zinc/88/66/65/537886665.db2.gz JEAJRVVZXOQLIO-UHFFFAOYSA-N 0 0 225.054 2.056 10 0 BEAERN Cn1nccc1-c1cc(=O)c2ccc(F)cc2[nH]1 ZINC000725257175 538060945 /nfs/dbraw/zinc/06/09/45/538060945.db2.gz IBLFVVPRDGRSBJ-UHFFFAOYSA-N 0 0 243.241 2.068 10 0 BEAERN Cc1c(N)cnn1C[C@H](C)CC(F)F ZINC000704918676 582950027 /nfs/dbraw/zinc/95/00/27/582950027.db2.gz MIBDTCWIDZHNEA-ZCFIWIBFSA-N 0 0 203.236 2.065 10 0 BEAERN Nc1nn(COC2CCCC2)cc1Cl ZINC000307338513 566278404 /nfs/dbraw/zinc/27/84/04/566278404.db2.gz UQLIHZNRXVPYAR-UHFFFAOYSA-N 0 0 215.684 2.035 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCC21CCC1 ZINC000307324753 566278447 /nfs/dbraw/zinc/27/84/47/566278447.db2.gz KFTZGIRMTBIUBV-QWRGUYRKSA-N 0 0 230.691 2.218 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CCCC21CCC1 ZINC000307324383 566278651 /nfs/dbraw/zinc/27/86/51/566278651.db2.gz KFTZGIRMTBIUBV-GHMZBOCLSA-N 0 0 230.691 2.218 10 0 BEAERN CC[C@H]1C[C@H]1Cn1cc(Br)c(N)n1 ZINC000723052006 566281274 /nfs/dbraw/zinc/28/12/74/566281274.db2.gz MBXRUTNNSOFQRU-BQBZGAKWSA-N 0 0 244.136 2.274 10 0 BEAERN Cc1cc(N)nn1CC[C@H]1C[C@@H]1C1CC1 ZINC000714771544 566295530 /nfs/dbraw/zinc/29/55/30/566295530.db2.gz QTJUKZLVPHEAHQ-WDEREUQCSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1c(Cl)c2cc(N)ccc2n(C)c1=O ZINC000725259360 566305650 /nfs/dbraw/zinc/30/56/50/566305650.db2.gz FCSDLBUJLGEKFW-UHFFFAOYSA-N 0 0 222.675 2.083 10 0 BEAERN CCOc1cc(OC(F)F)ccc1N ZINC000725260944 566307980 /nfs/dbraw/zinc/30/79/80/566307980.db2.gz AJHRETLYESEJML-UHFFFAOYSA-N 0 0 203.188 2.269 10 0 BEAERN CNS(=O)(=O)[C@@H](C)c1c(C)cc(C)cc1C ZINC000669375966 566422026 /nfs/dbraw/zinc/42/20/26/566422026.db2.gz ZXIWQCAVBRVDCJ-NSHDSACASA-N 0 0 241.356 2.222 10 0 BEAERN c1cc2n(n1)[C@@H](c1ccsc1)CCN2 ZINC000232480490 566491335 /nfs/dbraw/zinc/49/13/35/566491335.db2.gz GWHBHUIITAPQJK-SECBINFHSA-N 0 0 205.286 2.350 10 0 BEAERN COC(OC)[C@H](C)C(=O)c1ccsc1 ZINC000394367526 582965548 /nfs/dbraw/zinc/96/55/48/582965548.db2.gz UHLTZMAUNAVFAU-SSDOTTSWSA-N 0 0 214.286 2.186 10 0 BEAERN CCOC(=O)[C@H]1O[C@]1(CC)C1CCCC1 ZINC000395783673 583068024 /nfs/dbraw/zinc/06/80/24/583068024.db2.gz ROFMEHFHULHEGS-ZYHUDNBSSA-N 0 0 212.289 2.287 10 0 BEAERN Nc1nonc1-c1nc2ccccc2n1C1CC1 ZINC000034321506 581100469 /nfs/dbraw/zinc/10/04/69/581100469.db2.gz YJNUPBNOZDKQMS-UHFFFAOYSA-N 0 0 241.254 2.003 10 0 BEAERN O=c1[nH]c2ccc(O)cc2c2c1CSCC2 ZINC000049070624 581101147 /nfs/dbraw/zinc/10/11/47/581101147.db2.gz VNZCDYGKQLKZKC-UHFFFAOYSA-N 0 0 233.292 2.023 10 0 BEAERN CCCOCCOC(=O)CC[C@H]1CCCCO1 ZINC000111961333 588777378 /nfs/dbraw/zinc/77/73/78/588777378.db2.gz XJZPPIIZQTUNDL-GFCCVEGCSA-N 0 0 244.331 2.306 10 0 BEAERN Cc1noc([C@@H](C)OC(=O)C(C)(C)C)n1 ZINC000111987748 588777831 /nfs/dbraw/zinc/77/78/31/588777831.db2.gz HSZCWKHSRIMZNH-ZCFIWIBFSA-N 0 0 212.249 2.028 10 0 BEAERN Cc1nnc([C@H](C)OC(=O)C[C@H]2C=CCC2)o1 ZINC000112157171 588783603 /nfs/dbraw/zinc/78/36/03/588783603.db2.gz NDNJVYUSSNSGPM-WPRPVWTQSA-N 0 0 236.271 2.339 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CSCCS1)C(C)(C)C ZINC000112251352 588788741 /nfs/dbraw/zinc/78/87/41/588788741.db2.gz ANSYKPSHQZRDLR-RKDXNWHRSA-N 0 0 247.429 2.386 10 0 BEAERN CC(C)NC(=O)CCCC(=O)Oc1ccccc1 ZINC000112270365 588789056 /nfs/dbraw/zinc/78/90/56/588789056.db2.gz PPVZHNGRFYXWFC-UHFFFAOYSA-N 0 0 249.310 2.287 10 0 BEAERN CCOc1ccc(C(=O)Nc2n[nH]cc2C)cc1 ZINC000112634959 588807947 /nfs/dbraw/zinc/80/79/47/588807947.db2.gz YTRSPSPXKAKTBT-UHFFFAOYSA-N 0 0 245.282 2.369 10 0 BEAERN Nc1ccc(=O)n(CC2CCCCC2)c1 ZINC000019514724 582458500 /nfs/dbraw/zinc/45/85/00/582458500.db2.gz DVWGIGIWJINJGQ-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN COC(OC)[C@H](C)C(=O)C1CCCC1 ZINC000387486072 582458768 /nfs/dbraw/zinc/45/87/68/582458768.db2.gz XLRFNEYEOCELOZ-MRVPVSSYSA-N 0 0 200.278 2.001 10 0 BEAERN Nc1nn(CC(F)(F)C(F)F)cc1Cl ZINC000020348911 582459329 /nfs/dbraw/zinc/45/93/29/582459329.db2.gz DRPBBACYMJUMPJ-UHFFFAOYSA-N 0 0 231.580 2.019 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CC(C)(C)C[C@@H]2C ZINC000234588647 582460558 /nfs/dbraw/zinc/46/05/58/582460558.db2.gz PCHBNHYDPCTXGS-KPXOXKRLSA-N 0 0 212.289 2.143 10 0 BEAERN C[C@H](CCc1ccccc1)C[C@H](C[NH3+])C(=O)[O-] ZINC000145923757 582496405 /nfs/dbraw/zinc/49/64/05/582496405.db2.gz OAMLTMAKONMRPS-DGCLKSJQSA-N 0 0 235.327 2.305 10 0 BEAERN Cc1ccc(-n2ncc3ncccc32)nc1 ZINC000757122863 582497801 /nfs/dbraw/zinc/49/78/01/582497801.db2.gz YMOLUNOPSAIBHV-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN C[C@@H](CCO)CNc1ccc2c(c1)CCN2C ZINC000757124216 582499168 /nfs/dbraw/zinc/49/91/68/582499168.db2.gz CBMPVVQTOMBNFP-NSHDSACASA-N 0 0 234.343 2.109 10 0 BEAERN Cc1nc(C(=O)C(C)(C)C)sc1CCO ZINC000757124828 582499268 /nfs/dbraw/zinc/49/92/68/582499268.db2.gz PDRYPDZRVNUMFL-UHFFFAOYSA-N 0 0 227.329 2.215 10 0 BEAERN C[C@H]1C[C@H]1C(=O)c1ncc(C2OCCO2)s1 ZINC000757124843 582499360 /nfs/dbraw/zinc/49/93/60/582499360.db2.gz PQCUKSJWVYJJKE-NKWVEPMBSA-N 0 0 239.296 2.027 10 0 BEAERN C[C@H](CCO)CNc1ccc2c(c1)CCN2C ZINC000757124213 582499658 /nfs/dbraw/zinc/49/96/58/582499658.db2.gz CBMPVVQTOMBNFP-LLVKDONJSA-N 0 0 234.343 2.109 10 0 BEAERN COC(=O)c1sc([C@H](O)C(C)(C)C)nc1C ZINC000757125662 582499785 /nfs/dbraw/zinc/49/97/85/582499785.db2.gz FJMQMFRNRUMZQW-QMMMGPOBSA-N 0 0 243.328 2.318 10 0 BEAERN C[C@@H](O)CCCNc1ccc2c(c1)CCN2C ZINC000757125659 582500137 /nfs/dbraw/zinc/50/01/37/582500137.db2.gz FITHDZVQROGJKP-LLVKDONJSA-N 0 0 234.343 2.252 10 0 BEAERN CCC[C@H](O)c1nc(CC)c(N)s1 ZINC000757125777 582500634 /nfs/dbraw/zinc/50/06/34/582500634.db2.gz GBIDPYAINGZQJE-ZETCQYMHSA-N 0 0 200.307 2.121 10 0 BEAERN Cc1nc([C@@H](O)C2CCC2)sc1C=O ZINC000757133904 582510672 /nfs/dbraw/zinc/51/06/72/582510672.db2.gz XRLUYORTKATBCU-VIFPVBQESA-N 0 0 211.286 2.098 10 0 BEAERN CCc1nc([C@@H](O)C(C)(C)F)sc1N ZINC000757133849 582510732 /nfs/dbraw/zinc/51/07/32/582510732.db2.gz WWBMRJSRMRSBMA-ZCFIWIBFSA-N 0 0 218.297 2.069 10 0 BEAERN Cc1cc(CSC[C@H](O)CO)ccc1Cl ZINC000757145596 582528561 /nfs/dbraw/zinc/52/85/61/582528561.db2.gz ODCAOYDCDUZOKT-SNVBAGLBSA-N 0 0 246.759 2.235 10 0 BEAERN C[C@@H]1CC(C)(C)O[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757154268 582539230 /nfs/dbraw/zinc/53/92/30/582539230.db2.gz ZQIVZGSPZXDTCQ-SKDRFNHKSA-N 0 0 213.321 2.059 10 0 BEAERN Cc1cc(=S)n([C@@H](C)C2CCOCC2)[nH]1 ZINC000757165773 582548281 /nfs/dbraw/zinc/54/82/81/582548281.db2.gz LZEQDNCNONMPMQ-VIFPVBQESA-N 0 0 226.345 2.468 10 0 BEAERN CCc1ccc(CS[C@@H](C)CO)o1 ZINC000757172566 582551664 /nfs/dbraw/zinc/55/16/64/582551664.db2.gz YBMKEADBEHAECR-QMMMGPOBSA-N 0 0 200.303 2.456 10 0 BEAERN Cc1cccc(-c2c(N)[nH]c(=S)[nH]c2=O)c1 ZINC000757178648 582552808 /nfs/dbraw/zinc/55/28/08/582552808.db2.gz AAPPPDFYMPRKPI-UHFFFAOYSA-N 0 0 233.296 2.029 10 0 BEAERN Cc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1Cl ZINC000757185399 582554691 /nfs/dbraw/zinc/55/46/91/582554691.db2.gz UIVDTNDWZYDAAL-ZJUUUORDSA-N 0 0 239.702 2.036 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2cccc(C)c2)C1 ZINC000757186299 582555189 /nfs/dbraw/zinc/55/51/89/582555189.db2.gz GALFQMKOWLYPAI-STQMWFEESA-N 0 0 233.311 2.115 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1cc2ccccc2s1 ZINC000757193751 582557478 /nfs/dbraw/zinc/55/74/78/582557478.db2.gz RPFMRGCMXARLSP-ZJUUUORDSA-N 0 0 247.319 2.289 10 0 BEAERN CC(=O)c1cccc([C@H]2C[C@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757218513 582562359 /nfs/dbraw/zinc/56/23/59/582562359.db2.gz VMBKSYXFTIZGIY-CHWSQXEVSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](c2ccsc2)[NH2+]1 ZINC000757218559 582562546 /nfs/dbraw/zinc/56/25/46/582562546.db2.gz WFGBCZNXWLLJBA-QNSHHTMESA-N 0 0 225.313 2.262 10 0 BEAERN CC(=O)c1cccc([C@@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757218516 582562559 /nfs/dbraw/zinc/56/25/59/582562559.db2.gz VMBKSYXFTIZGIY-STQMWFEESA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1C[C@@H](C)n2nc3cc(N)ccc3c2N1 ZINC000235409851 582578257 /nfs/dbraw/zinc/57/82/57/582578257.db2.gz LSMBTORJRSPJBF-HTQZYQBOSA-N 0 0 216.288 2.384 10 0 BEAERN C[C@H]1CCNc2nc(-c3ccccc3)nn21 ZINC000235617917 582595997 /nfs/dbraw/zinc/59/59/97/582595997.db2.gz WATGONKSJYMKSL-VIFPVBQESA-N 0 0 214.272 2.322 10 0 BEAERN Cc1cn(-c2ccc(C=O)cc2C)cn1 ZINC000147662772 582607788 /nfs/dbraw/zinc/60/77/88/582607788.db2.gz OGQRUOPMBAYGCA-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN Cc1cc(C[C@@H](O)c2cn[nH]c2)cs1 ZINC000306526902 582653233 /nfs/dbraw/zinc/65/32/33/582653233.db2.gz WAGBDVHSNKEGDB-SNVBAGLBSA-N 0 0 208.286 2.056 10 0 BEAERN Cc1cc(N)nn1C[C@H]1CCC[C@@H](C)C1 ZINC000379775685 582683419 /nfs/dbraw/zinc/68/34/19/582683419.db2.gz CUJOJBCBKTVXSL-KOLCDFICSA-N 0 0 207.321 2.430 10 0 BEAERN CC(C)(C)[C@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000348694922 582729127 /nfs/dbraw/zinc/72/91/27/582729127.db2.gz SMSYLWBCJVXDNA-JTQLQIEISA-N 0 0 238.331 2.286 10 0 BEAERN Cn1ccc(-c2ccc(F)cc2C=O)n1 ZINC000236114086 582738475 /nfs/dbraw/zinc/73/84/75/582738475.db2.gz XFVDNQAUYYCZRM-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CCCOCC(=O)OCc1ccoc1C ZINC000113677336 588848328 /nfs/dbraw/zinc/84/83/28/588848328.db2.gz UMSXUPZKFJFONR-UHFFFAOYSA-N 0 0 212.245 2.058 10 0 BEAERN CC(C)[C@H](C)OC(=O)CNC(=O)CC(C)(C)C ZINC000127682431 582817522 /nfs/dbraw/zinc/81/75/22/582817522.db2.gz YSRFSYYXZUFDMM-JTQLQIEISA-N 0 0 243.347 2.127 10 0 BEAERN CCOC(=O)c1nn(C(C)C)c(N)c1C1CC1 ZINC000260661450 582881248 /nfs/dbraw/zinc/88/12/48/582881248.db2.gz HLXWTPJLCDXNNQ-UHFFFAOYSA-N 0 0 237.303 2.100 10 0 BEAERN C=COCCOC(=O)c1cc(F)ccc1C ZINC000128373659 583058848 /nfs/dbraw/zinc/05/88/48/583058848.db2.gz ZFTSVTHERKSCNY-UHFFFAOYSA-N 0 0 224.231 2.451 10 0 BEAERN CCOC(CC(=O)[C@@H]1CC1(C)C)OCC ZINC000397680609 583106052 /nfs/dbraw/zinc/10/60/52/583106052.db2.gz LUWRJNHKDVKKBP-VIFPVBQESA-N 0 0 214.305 2.391 10 0 BEAERN Cc1occc1COC(=O)CC1CCOCC1 ZINC000117534626 589103104 /nfs/dbraw/zinc/10/31/04/589103104.db2.gz MOYZZUGNKUVXEZ-UHFFFAOYSA-N 0 0 238.283 2.448 10 0 BEAERN CN(CC1CCCCC1)c1ncc(C=O)cn1 ZINC000126288032 583205774 /nfs/dbraw/zinc/20/57/74/583205774.db2.gz PDDKDMCICCKWBJ-UHFFFAOYSA-N 0 0 233.315 2.306 10 0 BEAERN C[C@@H]1CCC[C@H](N(C)c2ncc(C=O)cn2)C1 ZINC000126288280 583205870 /nfs/dbraw/zinc/20/58/70/583205870.db2.gz HSDXGBHJHPBLRU-PWSUYJOCSA-N 0 0 233.315 2.304 10 0 BEAERN CC[C@@H]1CCCN(c2ncc(C=O)cn2)CC1 ZINC000126331495 583206609 /nfs/dbraw/zinc/20/66/09/583206609.db2.gz SRTSWTFSJNOGLX-LLVKDONJSA-N 0 0 233.315 2.306 10 0 BEAERN C[C@H]1CCCCCN1c1ncc(C=O)cn1 ZINC000126416665 583213546 /nfs/dbraw/zinc/21/35/46/583213546.db2.gz JWGLJZDBVPTPAH-JTQLQIEISA-N 0 0 219.288 2.058 10 0 BEAERN CNC(=S)NCC[C@H]1CCC[C@H](C)C1 ZINC000123839217 583571406 /nfs/dbraw/zinc/57/14/06/583571406.db2.gz HNMKMMOBROBAQK-VHSXEESVSA-N 0 0 214.378 2.297 10 0 BEAERN CC(C)COC(=O)c1cccc(-n2cncn2)c1 ZINC000115736002 588925414 /nfs/dbraw/zinc/92/54/14/588925414.db2.gz KCPFCDRRGDILDG-UHFFFAOYSA-N 0 0 245.282 2.080 10 0 BEAERN CC(=O)c1ccc(-n2cc(Cl)c(C)n2)cn1 ZINC000148007426 583822736 /nfs/dbraw/zinc/82/27/36/583822736.db2.gz OUNHEIHMECDBMA-UHFFFAOYSA-N 0 0 235.674 2.432 10 0 BEAERN CCC1(C)CCN(Cc2nn(C)cc2C=O)CC1 ZINC000675052784 583916030 /nfs/dbraw/zinc/91/60/30/583916030.db2.gz AMOHCQPNXFVNOY-UHFFFAOYSA-N 0 0 249.358 2.245 10 0 BEAERN Cn1ccnc1COC(=O)/C=C/c1ccccc1 ZINC000122030277 584116534 /nfs/dbraw/zinc/11/65/34/584116534.db2.gz XUCWFTHONITHEW-BQYQJAHWSA-N 0 0 242.278 2.177 10 0 BEAERN CCc1noc(C(=O)N[C@@H](C)c2ccc(C)o2)n1 ZINC000902612167 584643744 /nfs/dbraw/zinc/64/37/44/584643744.db2.gz GVBWNURDCIVTNZ-QMMMGPOBSA-N 0 0 249.270 2.024 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 ZINC000231501514 585030100 /nfs/dbraw/zinc/03/01/00/585030100.db2.gz MOTKQUFMKZGIBV-IJLUTSLNSA-N 0 0 239.359 2.496 10 0 BEAERN CO[C@@H](C)C(=O)O[C@@H](c1ccccn1)C(C)C ZINC000121323068 585043989 /nfs/dbraw/zinc/04/39/89/585043989.db2.gz WZLLYYVDKBEWBY-CMPLNLGQSA-N 0 0 237.299 2.357 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC2CCCCC2)O1 ZINC000121354536 585085963 /nfs/dbraw/zinc/08/59/63/585085963.db2.gz ZOGYFUIQVYDSEP-KOLCDFICSA-N 0 0 212.289 2.430 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC2CCCCC2)O1 ZINC000121354228 585085982 /nfs/dbraw/zinc/08/59/82/585085982.db2.gz ZOGYFUIQVYDSEP-MWLCHTKSSA-N 0 0 212.289 2.430 10 0 BEAERN CS[C@@H](C)C(=O)OCC1CCCC1 ZINC000103336163 585096550 /nfs/dbraw/zinc/09/65/50/585096550.db2.gz LPFKDCVJSFAZOV-QMMMGPOBSA-N 0 0 202.319 2.471 10 0 BEAERN CCCCC[C@H](C)NC(=O)[C@@H](C)COC ZINC000103357356 585096803 /nfs/dbraw/zinc/09/68/03/585096803.db2.gz LQZRIOSNBTWEDH-QWRGUYRKSA-N 0 0 215.337 2.354 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccc(OC)cc1 ZINC000103357649 585096785 /nfs/dbraw/zinc/09/67/85/585096785.db2.gz SKDUVSIRSICRTI-JTQLQIEISA-N 0 0 238.283 2.021 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccccc1OC ZINC000103357670 585096887 /nfs/dbraw/zinc/09/68/87/585096887.db2.gz KEBMOINZRGEVBY-SNVBAGLBSA-N 0 0 238.283 2.021 10 0 BEAERN COC[C@H](C)C(=O)OCC1CCCCC1 ZINC000103551778 585335856 /nfs/dbraw/zinc/33/58/56/585335856.db2.gz DZUAURUFCAUJIS-JTQLQIEISA-N 0 0 214.305 2.392 10 0 BEAERN COC[C@H](C)C(=O)OCCC(C)(C)C ZINC000103552563 585335949 /nfs/dbraw/zinc/33/59/49/585335949.db2.gz ZOOJLUBMJMIKKM-VIFPVBQESA-N 0 0 202.294 2.248 10 0 BEAERN CN(C)c1nc(C(F)(F)F)nc2[nH]ccc21 ZINC000757566040 586305515 /nfs/dbraw/zinc/30/55/15/586305515.db2.gz KBUYRMHBQHATHA-UHFFFAOYSA-N 0 0 230.193 2.043 10 0 BEAERN CC(=O)c1cc(C(=O)OC[C@H]2C[C@H]2C)n(C)c1 ZINC000103686893 586410769 /nfs/dbraw/zinc/41/07/69/586410769.db2.gz INMQABCBFTWDEK-LDYMZIIASA-N 0 0 235.283 2.041 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H](C)Cc1ccccc1 ZINC000103696112 586417261 /nfs/dbraw/zinc/41/72/61/586417261.db2.gz VIPCLKZWPDTFSV-RYUDHWBXSA-N 0 0 236.311 2.443 10 0 BEAERN C[C@@H](CCO)Nc1ccc2c(ccn2C)c1 ZINC000757129777 586426204 /nfs/dbraw/zinc/42/62/04/586426204.db2.gz MYLVKHSUCQKVFH-JTQLQIEISA-N 0 0 218.300 2.361 10 0 BEAERN C[C@@H](Nc1cc2ccccc2[nH]1)[C@H](C)O ZINC000757137280 586427241 /nfs/dbraw/zinc/42/72/41/586427241.db2.gz YSMXQZIWKUMALE-BDAKNGLRSA-N 0 0 204.273 2.349 10 0 BEAERN c1coc([C@@H]2CCO[C@@]3(CCSC3)N2)c1 ZINC000757151714 586429579 /nfs/dbraw/zinc/42/95/79/586429579.db2.gz RHGAARVGDQFPST-GXSJLCMTSA-N 0 0 225.313 2.164 10 0 BEAERN Cc1cc(Cn2ccc(N)n2)ccc1Cl ZINC000757160665 586431269 /nfs/dbraw/zinc/43/12/69/586431269.db2.gz SEVZJWYSBREARV-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CCc1ccc(CSCCOCCO)o1 ZINC000757169616 586431271 /nfs/dbraw/zinc/43/12/71/586431271.db2.gz JSLHGJFWDACKOX-UHFFFAOYSA-N 0 0 230.329 2.084 10 0 BEAERN NC(=O)CCSCc1ccc(Cl)o1 ZINC000757171770 586432976 /nfs/dbraw/zinc/43/29/76/586432976.db2.gz VUYPWNZGIKUMRW-UHFFFAOYSA-N 0 0 219.693 2.042 10 0 BEAERN CCOC(=O)[C@]1(F)C[C@H](C(C)C)CCC1=O ZINC000757182040 586433424 /nfs/dbraw/zinc/43/34/24/586433424.db2.gz FFARWKSEJFLGDS-SKDRFNHKSA-N 0 0 230.279 2.283 10 0 BEAERN CCOC(=O)[C@]1(F)CC(C)(C)CCC1=O ZINC000757184514 586434144 /nfs/dbraw/zinc/43/41/44/586434144.db2.gz YDSHKHRBLILPJS-NSHDSACASA-N 0 0 216.252 2.037 10 0 BEAERN CCOC(=O)c1nc(N)sc1[C@@H](C)CC ZINC000757186022 586434770 /nfs/dbraw/zinc/43/47/70/586434770.db2.gz FUCMDQYPRXNBTJ-LURJTMIESA-N 0 0 228.317 2.416 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2C)C1 ZINC000757188970 586434963 /nfs/dbraw/zinc/43/49/63/586434963.db2.gz IXEDRNZXUWECHQ-CHWSQXEVSA-N 0 0 233.311 2.115 10 0 BEAERN CCC1(CC)/C(=C\C(=O)OC)C[C@H]1OC ZINC000757192999 586435908 /nfs/dbraw/zinc/43/59/08/586435908.db2.gz XUDQBFNOUALJRA-HSTULFTRSA-N 0 0 212.289 2.311 10 0 BEAERN Cc1cccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)[O-])c1C ZINC000757192404 586436038 /nfs/dbraw/zinc/43/60/38/586436038.db2.gz OJPDHQQLFMAREL-QWHCGFSZSA-N 0 0 233.311 2.033 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1cc2ccccc2s1 ZINC000757193748 586436274 /nfs/dbraw/zinc/43/62/74/586436274.db2.gz RPFMRGCMXARLSP-NXEZZACHSA-N 0 0 247.319 2.289 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C)cc2)C1 ZINC000757193683 586436339 /nfs/dbraw/zinc/43/63/39/586436339.db2.gz UGCFXVSZZYCOQK-STQMWFEESA-N 0 0 233.311 2.115 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1csc2ccccc21 ZINC000757195075 586436497 /nfs/dbraw/zinc/43/64/97/586436497.db2.gz YXKMJTJIGGLECQ-VHSXEESVSA-N 0 0 247.319 2.289 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1cccc2ccsc21 ZINC000757194224 586436552 /nfs/dbraw/zinc/43/65/52/586436552.db2.gz WSLNUSFWAOGZAC-GHMZBOCLSA-N 0 0 247.319 2.289 10 0 BEAERN C[C@@H]1CCC[NH2+][C@H]1c1cccc(C(=O)[O-])c1 ZINC000757212189 586438806 /nfs/dbraw/zinc/43/88/06/586438806.db2.gz HOPOQDLZOBZTEH-BXKDBHETSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1CCC[NH2+][C@H]1c1cccc(C(=O)[O-])c1 ZINC000757212191 586438807 /nfs/dbraw/zinc/43/88/07/586438807.db2.gz HOPOQDLZOBZTEH-JOYOIKCWSA-N 0 0 219.284 2.445 10 0 BEAERN CC(=O)c1cccc([C@@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757212558 586439524 /nfs/dbraw/zinc/43/95/24/586439524.db2.gz IVHXNZVNZCEIKV-OLZOCXBDSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@H](c2cccs2)[NH2+]1 ZINC000757214314 586440209 /nfs/dbraw/zinc/44/02/09/586440209.db2.gz LWLMVPNMOIHAKX-HRDYMLBCSA-N 0 0 225.313 2.262 10 0 BEAERN CC(=O)c1ccc([C@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757216679 586441336 /nfs/dbraw/zinc/44/13/36/586441336.db2.gz PUPMEVFJDQQVHI-OLZOCXBDSA-N 0 0 247.294 2.157 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218251 586441870 /nfs/dbraw/zinc/44/18/70/586441870.db2.gz URLBDRMTJHQOPY-JQWIXIFHSA-N 0 0 244.294 2.088 10 0 BEAERN O=C([O-])[C@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757220409 586442065 /nfs/dbraw/zinc/44/20/65/586442065.db2.gz ZBGNPABWOUHBPE-AAEUAGOBSA-N 0 0 244.294 2.293 10 0 BEAERN CC(=O)c1ccc([C@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)cc1 ZINC000757220103 586442118 /nfs/dbraw/zinc/44/21/18/586442118.db2.gz ZXKKPYGKEPRLBC-CHWSQXEVSA-N 0 0 247.294 2.015 10 0 BEAERN Cc1sc([C@@H]2C[NH2+]CC[C@H]2C)cc1C(=O)[O-] ZINC000757239248 586444093 /nfs/dbraw/zinc/44/40/93/586444093.db2.gz TWMZFUZXJBDQQU-GMSGAONNSA-N 0 0 239.340 2.468 10 0 BEAERN Cc1sc([C@H]2C[NH2+]CC[C@H]2C)cc1C(=O)[O-] ZINC000757239256 586444469 /nfs/dbraw/zinc/44/44/69/586444469.db2.gz TWMZFUZXJBDQQU-XCBNKYQSSA-N 0 0 239.340 2.468 10 0 BEAERN CC(C)c1nc2[nH]ccc2c(N(C)C)n1 ZINC000757564032 586461200 /nfs/dbraw/zinc/46/12/00/586461200.db2.gz AVDDWOUFXXHVTJ-UHFFFAOYSA-N 0 0 204.277 2.147 10 0 BEAERN CC(C)Nc1nc([C@H]2CCOC2)nc2[nH]ccc21 ZINC000757565791 586461504 /nfs/dbraw/zinc/46/15/04/586461504.db2.gz IDAXMTWEQVZRNK-VIFPVBQESA-N 0 0 246.314 2.282 10 0 BEAERN CC(C)Nc1nc([C@@H]2CCOC2)nc2[nH]ccc21 ZINC000757565788 586461613 /nfs/dbraw/zinc/46/16/13/586461613.db2.gz IDAXMTWEQVZRNK-SECBINFHSA-N 0 0 246.314 2.282 10 0 BEAERN CCS[C@H](C)c1nc2[nH]ccc2c(N)n1 ZINC000757568900 586462156 /nfs/dbraw/zinc/46/21/56/586462156.db2.gz RYSIPGHGOQVQJY-ZCFIWIBFSA-N 0 0 222.317 2.306 10 0 BEAERN CN(C)c1nc(-c2nccs2)nc2[nH]ccc21 ZINC000757570779 586462509 /nfs/dbraw/zinc/46/25/09/586462509.db2.gz YVZSSLCQWRVALI-UHFFFAOYSA-N 0 0 245.311 2.147 10 0 BEAERN CC[C@H](C)c1nc2[nH]ccc2c(NC)n1 ZINC000757570316 586462717 /nfs/dbraw/zinc/46/27/17/586462717.db2.gz WQDLYXRXOJYEDR-ZETCQYMHSA-N 0 0 204.277 2.465 10 0 BEAERN COC[C@H](C)C(=O)OCc1sc(C)nc1C ZINC000103824636 586883623 /nfs/dbraw/zinc/88/36/23/586883623.db2.gz KIHDVDZBGFKFKP-ZETCQYMHSA-N 0 0 243.328 2.086 10 0 BEAERN CS[C@H](C)C(=O)OCc1scnc1C ZINC000105548209 588199754 /nfs/dbraw/zinc/19/97/54/588199754.db2.gz UQHMUPSCAYEZGH-SSDOTTSWSA-N 0 0 231.342 2.246 10 0 BEAERN CCCC(=O)NCC(=O)Oc1ccc(C)c(C)c1 ZINC000105755060 588220819 /nfs/dbraw/zinc/22/08/19/588220819.db2.gz VWEYAEBYOLNJFI-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN CCCC(=O)NCC(=O)OCCC1CCCC1 ZINC000105767677 588222163 /nfs/dbraw/zinc/22/21/63/588222163.db2.gz KLUADHCFEUSLIR-UHFFFAOYSA-N 0 0 241.331 2.026 10 0 BEAERN CCOC(CN(C)Cc1ccc(C)o1)OCC ZINC000106365385 588268977 /nfs/dbraw/zinc/26/89/77/588268977.db2.gz PARWVZGRJSWBRY-UHFFFAOYSA-N 0 0 241.331 2.419 10 0 BEAERN CCc1ccc(C(=O)O[C@@H]2CCOC2)s1 ZINC000107013623 588322534 /nfs/dbraw/zinc/32/25/34/588322534.db2.gz MDGHXRMXGBVUGA-MRVPVSSYSA-N 0 0 226.297 2.256 10 0 BEAERN NC(=O)c1sccc1SC(F)F ZINC000107204060 588342047 /nfs/dbraw/zinc/34/20/47/588342047.db2.gz PBKJDQDIMXVWBP-UHFFFAOYSA-N 0 0 209.242 2.162 10 0 BEAERN CCCOCCOC(=O)c1ccccc1OC ZINC000107414057 588362441 /nfs/dbraw/zinc/36/24/41/588362441.db2.gz ZGHJYHLBUGNWST-UHFFFAOYSA-N 0 0 238.283 2.279 10 0 BEAERN CCOCC(=O)OC[C@@H]1CCc2ccccc21 ZINC000107881978 588414693 /nfs/dbraw/zinc/41/46/93/588414693.db2.gz ZCYJVMBMLLHCOB-LBPRGKRZSA-N 0 0 234.295 2.296 10 0 BEAERN O=C(Nc1ccon1)c1ccc2cc[nH]c2c1 ZINC000107928797 588420823 /nfs/dbraw/zinc/42/08/23/588420823.db2.gz XUAVIUZVPMFCPW-UHFFFAOYSA-N 0 0 227.223 2.408 10 0 BEAERN Cc1ccccc1CC(=O)OCC(=O)C1CC1 ZINC000109367541 588556267 /nfs/dbraw/zinc/55/62/67/588556267.db2.gz SKMABLYHGTZQAJ-UHFFFAOYSA-N 0 0 232.279 2.060 10 0 BEAERN O=C(/C=C/c1cccs1)OCC(=O)C1CC1 ZINC000109367355 588556540 /nfs/dbraw/zinc/55/65/40/588556540.db2.gz AFCYBVYOLUYGQW-AATRIKPKSA-N 0 0 236.292 2.284 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000201912081 589136263 /nfs/dbraw/zinc/13/62/63/589136263.db2.gz VGJWDNICLIDGSO-ZDUSSCGKSA-N 0 0 231.295 2.128 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000201912057 589136386 /nfs/dbraw/zinc/13/63/86/589136386.db2.gz VGJWDNICLIDGSO-CYBMUJFWSA-N 0 0 231.295 2.128 10 0 BEAERN COC(=O)[C@H](CC(C)C)OC(=O)CC(C)C ZINC000118911121 589205020 /nfs/dbraw/zinc/20/50/20/589205020.db2.gz XQPPMQJQTBDRFO-JTQLQIEISA-N 0 0 230.304 2.163 10 0 BEAERN O=C(OC1CC1)c1cncc(Br)c1 ZINC000204435582 589333622 /nfs/dbraw/zinc/33/36/22/589333622.db2.gz QLJQJAZTFOQCNB-UHFFFAOYSA-N 0 0 242.072 2.163 10 0 BEAERN CC[C@H](C)OC(=O)CCc1ccncc1 ZINC000119821525 589335520 /nfs/dbraw/zinc/33/55/20/589335520.db2.gz BKGBMKDWLWJWLE-JTQLQIEISA-N 0 0 207.273 2.356 10 0 BEAERN CCc1cc(C)c(C(=O)OCCc2cn[nH]c2)o1 ZINC000120340250 589404951 /nfs/dbraw/zinc/40/49/51/589404951.db2.gz JHPOIZPNBPBUQM-UHFFFAOYSA-N 0 0 248.282 2.273 10 0 BEAERN CCC(C)(CC)C(=O)OCC(=O)C1CC1 ZINC000121755938 589529768 /nfs/dbraw/zinc/52/97/68/589529768.db2.gz QPOACULMHLYLQB-UHFFFAOYSA-N 0 0 212.289 2.335 10 0 BEAERN Cc1ccc(C)c(C(=O)OCc2nccn2C)c1 ZINC000122033172 589550441 /nfs/dbraw/zinc/55/04/41/589550441.db2.gz MXLBNCOCSYVUCE-UHFFFAOYSA-N 0 0 244.294 2.394 10 0 BEAERN C[C@H](OC(=O)C=C1CCC1)[C@@H]1CCOC1 ZINC000122043823 589551446 /nfs/dbraw/zinc/55/14/46/589551446.db2.gz USHAXIGQUCHWPC-GXSJLCMTSA-N 0 0 210.273 2.065 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCc2ccc(F)cc2)O1 ZINC000122303931 589577501 /nfs/dbraw/zinc/57/75/01/589577501.db2.gz BPTGJSTYPHBUIC-SKDRFNHKSA-N 0 0 238.258 2.436 10 0 BEAERN CCCCCOC(=O)[C@@H]1CC[C@H](C)O1 ZINC000122370316 589584858 /nfs/dbraw/zinc/58/48/58/589584858.db2.gz LQERGCQNMPIEOO-UWVGGRQHSA-N 0 0 200.278 2.287 10 0 BEAERN CCCCCOC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000122370796 589584955 /nfs/dbraw/zinc/58/49/55/589584955.db2.gz LQERGCQNMPIEOO-ZJUUUORDSA-N 0 0 200.278 2.287 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCCc2ccncc2)O1 ZINC000122379864 589584961 /nfs/dbraw/zinc/58/49/61/589584961.db2.gz NADVJYCXXAPHJI-DGCLKSJQSA-N 0 0 249.310 2.125 10 0 BEAERN CC(C)c1nn(C)cc1-c1ncccc1N ZINC000122623433 589610472 /nfs/dbraw/zinc/61/04/72/589610472.db2.gz DLQJKUHYJWFSOL-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCC2CCCC2)O1 ZINC000122647442 589613830 /nfs/dbraw/zinc/61/38/30/589613830.db2.gz XNLHMCQFQFOYBB-ONGXEEELSA-N 0 0 212.289 2.287 10 0 BEAERN CC/C=C/CCOC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000122651500 589613952 /nfs/dbraw/zinc/61/39/52/589613952.db2.gz CQSPSLSKVKLPJD-ZJRFNNFUSA-N 0 0 212.289 2.453 10 0 BEAERN O=C(C[C@@H]1C=CCC1)OC[C@H]1CCCO1 ZINC000122862269 589639949 /nfs/dbraw/zinc/63/99/49/589639949.db2.gz RFSGKIWQDGOLSU-GHMZBOCLSA-N 0 0 210.273 2.065 10 0 BEAERN CC/C=C/COC(=O)C1(CCOC)CC1 ZINC000122913949 589643475 /nfs/dbraw/zinc/64/34/75/589643475.db2.gz KIBARNBNSVSNQA-SNAWJCMRSA-N 0 0 212.289 2.313 10 0 BEAERN CC(C)[C@H](C)CNC(=O)c1cccc(F)n1 ZINC000122998524 589648202 /nfs/dbraw/zinc/64/82/02/589648202.db2.gz VHIHFVGXCAZTRU-SECBINFHSA-N 0 0 224.279 2.243 10 0 BEAERN O=C(OCC(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000123117686 589662763 /nfs/dbraw/zinc/66/27/63/589662763.db2.gz ORBDRWQODJHONS-GSVOUGTGSA-N 0 0 237.004 2.286 10 0 BEAERN CCOCCOCC(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000123397033 589695897 /nfs/dbraw/zinc/69/58/97/589695897.db2.gz KBQKLIUOWJRFPH-NWDGAFQWSA-N 0 0 244.331 2.161 10 0 BEAERN COC[C@H](C)NC(=S)N[C@@H](C)C1CCCC1 ZINC000123621175 589758514 /nfs/dbraw/zinc/75/85/14/589758514.db2.gz LFHDQVQYUDXUNK-UWVGGRQHSA-N 0 0 244.404 2.064 10 0 BEAERN Cn1ccnc1COC(=O)CC1CCCC1 ZINC000123625599 589758872 /nfs/dbraw/zinc/75/88/72/589758872.db2.gz LVGLOLJJIBHEQJ-UHFFFAOYSA-N 0 0 222.288 2.044 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCCc2cccs2)O1 ZINC000123686621 589770022 /nfs/dbraw/zinc/77/00/22/589770022.db2.gz ZABJURMDXZGUFB-ONGXEEELSA-N 0 0 240.324 2.401 10 0 BEAERN CC/C=C(\C)C(=O)OCc1nncn1CCC ZINC000124146097 589951454 /nfs/dbraw/zinc/95/14/54/589951454.db2.gz CNFHWTRILNNNFS-UXBLZVDNSA-N 0 0 237.303 2.088 10 0 BEAERN Cc1ccc(N)cc1NC(=O)CCOCC1CC1 ZINC000019870567 590023051 /nfs/dbraw/zinc/02/30/51/590023051.db2.gz PNJKQMCPOSEFGY-UHFFFAOYSA-N 0 0 248.326 2.332 10 0 BEAERN COC(=O)C1(C(=O)Oc2cc(C)cc(C)c2)CC1 ZINC000124676729 590071905 /nfs/dbraw/zinc/07/19/05/590071905.db2.gz DVYTZCYZBRBTGN-UHFFFAOYSA-N 0 0 248.278 2.162 10 0 BEAERN CCCCCCC(=O)N1CCN(C2CC2)CC1 ZINC000124772937 590084320 /nfs/dbraw/zinc/08/43/20/590084320.db2.gz QLOISENHRAKPMB-UHFFFAOYSA-N 0 0 238.375 2.263 10 0 BEAERN Cc1ccc(OC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000124778370 590085008 /nfs/dbraw/zinc/08/50/08/590085008.db2.gz CNQAXBYHFOEZDS-CMPLNLGQSA-N 0 0 220.268 2.468 10 0 BEAERN COc1ccccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000124787524 590085638 /nfs/dbraw/zinc/08/56/38/590085638.db2.gz BPSVEYZYDCRNST-JOYOIKCWSA-N 0 0 236.267 2.168 10 0 BEAERN COc1ccccc1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000124787319 590085707 /nfs/dbraw/zinc/08/57/07/590085707.db2.gz BPSVEYZYDCRNST-BXKDBHETSA-N 0 0 236.267 2.168 10 0 BEAERN C[C@H](O)c1ccc(N2C[C@H](C)[C@@H](C)C2)nc1 ZINC000124946435 590102788 /nfs/dbraw/zinc/10/27/88/590102788.db2.gz PVXBIHAUUMMMFM-DCAQKATOSA-N 0 0 220.316 2.227 10 0 BEAERN Cc1occc1COC(=O)[C@H]1CC[C@@H](C)O1 ZINC000124965856 590106275 /nfs/dbraw/zinc/10/62/75/590106275.db2.gz FOJQMGBHHVVUEH-LDYMZIIASA-N 0 0 224.256 2.199 10 0 BEAERN CCCNC(=O)CNc1cccc(C)c1C(C)=O ZINC000125104827 590120783 /nfs/dbraw/zinc/12/07/83/590120783.db2.gz PUWFBVJBVZYPSV-UHFFFAOYSA-N 0 0 248.326 2.136 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC2(C3CC3)CC2)O1 ZINC000125486529 590166474 /nfs/dbraw/zinc/16/64/74/590166474.db2.gz MITXKHGREUXFEG-SCZZXKLOSA-N 0 0 210.273 2.040 10 0 BEAERN O=C(Cc1ccoc1)OCCc1cccnc1 ZINC000125581425 590171795 /nfs/dbraw/zinc/17/17/95/590171795.db2.gz HNVLBXDMMFZLQO-UHFFFAOYSA-N 0 0 231.251 2.003 10 0 BEAERN CC/C=C/COC(=O)c1cnn2c1CCCC2 ZINC000125651818 590176549 /nfs/dbraw/zinc/17/65/49/590176549.db2.gz IKOBCBYMYZMDHC-ZZXKWVIFSA-N 0 0 234.299 2.342 10 0 BEAERN CS[C@H](C)C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000126621440 590376279 /nfs/dbraw/zinc/37/62/79/590376279.db2.gz DCHJLIZPSAFQIC-DOLQZWNJSA-N 0 0 244.356 2.095 10 0 BEAERN COc1ccc(-c2ccc(C=O)o2)cn1 ZINC000022200967 590383661 /nfs/dbraw/zinc/38/36/61/590383661.db2.gz SBTBYRGOBAEJOK-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN CCn1cc(C(=O)OC2(C)CCC2)cn1 ZINC000126747529 590432342 /nfs/dbraw/zinc/43/23/42/590432342.db2.gz HYASVLRQYCPTSF-UHFFFAOYSA-N 0 0 208.261 2.002 10 0 BEAERN CCc1cc(C)c(C(=O)OCCn2cccn2)o1 ZINC000126793733 590445782 /nfs/dbraw/zinc/44/57/82/590445782.db2.gz BWWCPWQBXPCWJR-UHFFFAOYSA-N 0 0 248.282 2.204 10 0 BEAERN CCc1cc(C)c(C(=O)OCC(=O)C2CC2)o1 ZINC000126807321 590458532 /nfs/dbraw/zinc/45/85/32/590458532.db2.gz BJVGGBVKZJWNOS-UHFFFAOYSA-N 0 0 236.267 2.286 10 0 BEAERN CCc1cc(C)c(C(=O)OCC2(C)COC2)o1 ZINC000126821539 590462152 /nfs/dbraw/zinc/46/21/52/590462152.db2.gz OXPUEXVWCARVPB-UHFFFAOYSA-N 0 0 238.283 2.344 10 0 BEAERN CC1(OC(=O)CC[C@H]2CCOC2)CCC1 ZINC000126906466 590493851 /nfs/dbraw/zinc/49/38/51/590493851.db2.gz DXOLQCQACOREIY-JTQLQIEISA-N 0 0 212.289 2.289 10 0 BEAERN CCN1CCCC[C@H]1C(=O)O[C@@H](C)C(C)C ZINC000126958739 590514918 /nfs/dbraw/zinc/51/49/18/590514918.db2.gz GDZTYSRALHGVCG-RYUDHWBXSA-N 0 0 227.348 2.449 10 0 BEAERN CC1(OC(=O)Cc2ccc3c(c2)OCO3)CCC1 ZINC000126987247 590527274 /nfs/dbraw/zinc/52/72/74/590527274.db2.gz XTLKJPOLGAYGEG-UHFFFAOYSA-N 0 0 248.278 2.444 10 0 BEAERN CC(C)=CC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000127211603 590594338 /nfs/dbraw/zinc/59/43/38/590594338.db2.gz XQOYYQXXSFWQGL-ADEWGFFLSA-N 0 0 224.300 2.309 10 0 BEAERN CC(C)=CC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000127212014 590594403 /nfs/dbraw/zinc/59/44/03/590594403.db2.gz XQOYYQXXSFWQGL-ZMLRMANQSA-N 0 0 224.300 2.309 10 0 BEAERN CC(C)[C@@H](C)OC(=O)c1ccc2c(c1)nnn2C ZINC000127374778 590635439 /nfs/dbraw/zinc/63/54/39/590635439.db2.gz AJBAQYOPGRGNKJ-SECBINFHSA-N 0 0 247.298 2.170 10 0 BEAERN CC(C)CCC(=O)NCC(=O)O[C@@H](C)C(C)C ZINC000127606307 590723437 /nfs/dbraw/zinc/72/34/37/590723437.db2.gz PYMWXVWXIUBNIE-NSHDSACASA-N 0 0 243.347 2.127 10 0 BEAERN C[C@H](Cn1cccn1)OC(=O)C(C1CC1)C1CC1 ZINC000127747600 590767893 /nfs/dbraw/zinc/76/78/93/590767893.db2.gz BQFOVRQVKODZIX-SNVBAGLBSA-N 0 0 248.326 2.251 10 0 BEAERN CC(C)[C@@H](C)OC(=O)c1cncc(F)c1 ZINC000127843834 590813505 /nfs/dbraw/zinc/81/35/05/590813505.db2.gz UKDJULORZREITF-MRVPVSSYSA-N 0 0 211.236 2.422 10 0 BEAERN CC(C)[C@H](C)OC(=O)CCOC[C@H]1CCCO1 ZINC000127899236 590842476 /nfs/dbraw/zinc/84/24/76/590842476.db2.gz GNJDNFDHILGPOY-NWDGAFQWSA-N 0 0 244.331 2.160 10 0 BEAERN COc1ccc([C@H]2CCCC(=O)N2)cc1F ZINC000210731830 590961317 /nfs/dbraw/zinc/96/13/17/590961317.db2.gz GEMVPVXWRXBTIO-SNVBAGLBSA-N 0 0 223.247 2.176 10 0 BEAERN C=COCCOC(=O)C1(c2ccccc2)CC1 ZINC000128358628 591003958 /nfs/dbraw/zinc/00/39/58/591003958.db2.gz HRMHZJURZXLCQN-UHFFFAOYSA-N 0 0 232.279 2.422 10 0 BEAERN CC1(OC(=O)[C@@H]2CSCCS2)CCC1 ZINC000128505698 591097916 /nfs/dbraw/zinc/09/79/16/591097916.db2.gz FSJOHZRUKANVCL-QMMMGPOBSA-N 0 0 232.370 2.321 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C/C(Cl)=C/Cl ZINC000128610864 591140759 /nfs/dbraw/zinc/14/07/59/591140759.db2.gz NAMAWTPFJFKGKD-FUIYBJOISA-N 0 0 224.131 2.415 10 0 BEAERN Cc1cccc(OCCn2ccc([C@H](C)O)n2)c1 ZINC000128681909 591151070 /nfs/dbraw/zinc/15/10/70/591151070.db2.gz BPHBKGZIGPBFKY-LBPRGKRZSA-N 0 0 246.310 2.324 10 0 BEAERN Cc1nc(Cn2ccc([C@H](C)O)n2)sc1C ZINC000128909250 591176395 /nfs/dbraw/zinc/17/63/95/591176395.db2.gz YVLOWWBMKVODMP-QMMMGPOBSA-N 0 0 237.328 2.058 10 0 BEAERN CN(CC1CC1)C(=O)CSC(C)(C)C ZINC000127440105 636560992 /nfs/dbraw/zinc/56/09/92/636560992.db2.gz GXYAUSCOSUMNBD-UHFFFAOYSA-N 0 0 215.362 2.387 10 0 BEAERN Cc1cc(F)ccc1OC[C@@H](O)C1CC1 ZINC000129289788 591275676 /nfs/dbraw/zinc/27/56/76/591275676.db2.gz BMKKAUWHUXFYOJ-LLVKDONJSA-N 0 0 210.248 2.284 10 0 BEAERN CC/C=C(\C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000212329458 591353389 /nfs/dbraw/zinc/35/33/89/591353389.db2.gz BMVJCACBNQZFNU-RZZPXTMHSA-N 0 0 225.332 2.010 10 0 BEAERN CN(CC1CCCCC1)C(=O)n1ccnc1 ZINC000129895377 591418596 /nfs/dbraw/zinc/41/85/96/591418596.db2.gz ZYJWRTJSOVFVNM-UHFFFAOYSA-N 0 0 221.304 2.363 10 0 BEAERN CC(C)NC(=S)N1CC[C@@H](C(C)C)C1 ZINC000130078636 591434956 /nfs/dbraw/zinc/43/49/56/591434956.db2.gz QSUVFVRLAGBBAN-SNVBAGLBSA-N 0 0 214.378 2.247 10 0 BEAERN C[C@H](O)c1ccc(N(C)Cc2ccncc2)nc1 ZINC000213227668 591455758 /nfs/dbraw/zinc/45/57/58/591455758.db2.gz BWCPWKVKJZNCGJ-NSHDSACASA-N 0 0 243.310 2.166 10 0 BEAERN C[C@H](O)c1ccc(N(C)Cc2ccoc2)nc1 ZINC000213243090 591457411 /nfs/dbraw/zinc/45/74/11/591457411.db2.gz HDOMCCBGIILPPO-JTQLQIEISA-N 0 0 232.283 2.364 10 0 BEAERN Cc1c(CCC(=O)OC2(C3CC3)CC2)cnn1C ZINC000130507323 591476170 /nfs/dbraw/zinc/47/61/70/591476170.db2.gz PQSUBPDDZHQOGK-UHFFFAOYSA-N 0 0 248.326 2.147 10 0 BEAERN COCCCCOC(=O)CCCSC ZINC000131094844 591552048 /nfs/dbraw/zinc/55/20/48/591552048.db2.gz XVZUEZMPAOTMGY-UHFFFAOYSA-N 0 0 220.334 2.099 10 0 BEAERN CC(=O)NCCCCCC(=O)OC1(C)CCC1 ZINC000131093908 591552319 /nfs/dbraw/zinc/55/23/19/591552319.db2.gz CJSCFVILUOOAFN-UHFFFAOYSA-N 0 0 241.331 2.169 10 0 BEAERN CSCCCC(=O)OCCc1cccnc1 ZINC000131206486 591571880 /nfs/dbraw/zinc/57/18/80/591571880.db2.gz PIUZZWRWWBJLJR-UHFFFAOYSA-N 0 0 239.340 2.311 10 0 BEAERN COC[C@@H](C)CNc1ccc2c(c1)OCCO2 ZINC000131687904 591640625 /nfs/dbraw/zinc/64/06/25/591640625.db2.gz KXXCCOTXPWHVPV-JTQLQIEISA-N 0 0 237.299 2.152 10 0 BEAERN CCCOCCOC(=O)/C=C/c1cncc(C)c1 ZINC000131899604 591675944 /nfs/dbraw/zinc/67/59/44/591675944.db2.gz JWKANWMZAZYAJS-SNAWJCMRSA-N 0 0 249.310 2.373 10 0 BEAERN CC(C)c1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000131938135 591678172 /nfs/dbraw/zinc/67/81/72/591678172.db2.gz IKXFHCPEVSFECB-MRVPVSSYSA-N 0 0 245.369 2.169 10 0 BEAERN O=C(CCc1ccncc1)OCC[C@H]1CCCO1 ZINC000132087261 591688060 /nfs/dbraw/zinc/68/80/60/591688060.db2.gz XGTBWTJSHQLYJY-CYBMUJFWSA-N 0 0 249.310 2.127 10 0 BEAERN CO[C@H](C)CCOC(=O)/C=C/c1cncc(C)c1 ZINC000132135674 591689562 /nfs/dbraw/zinc/68/95/62/591689562.db2.gz GETXYYGGCLZJRO-ZYOFXKKJSA-N 0 0 249.310 2.371 10 0 BEAERN O=C(OC1(C2CC2)CC1)[C@@H]1CCCCO1 ZINC000132147765 591690299 /nfs/dbraw/zinc/69/02/99/591690299.db2.gz OLFDPFVDQYDGGC-JTQLQIEISA-N 0 0 210.273 2.041 10 0 BEAERN CO[C@H](C)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000132247012 591695236 /nfs/dbraw/zinc/69/52/36/591695236.db2.gz WHXNCLDAAJNNQK-RKDXNWHRSA-N 0 0 248.282 2.202 10 0 BEAERN COC[C@H](OC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000132286882 591698469 /nfs/dbraw/zinc/69/84/69/591698469.db2.gz RACRVWLSFFPVAJ-NEPJUHHUSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@H](OC(=O)[C@H]1CC=CCC1)C1CC1 ZINC000132286532 591698487 /nfs/dbraw/zinc/69/84/87/591698487.db2.gz RACRVWLSFFPVAJ-RYUDHWBXSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@@H](OC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000132287041 591698493 /nfs/dbraw/zinc/69/84/93/591698493.db2.gz RACRVWLSFFPVAJ-VXGBXAGGSA-N 0 0 224.300 2.311 10 0 BEAERN CC1(C)OC[C@H](COC(=O)[C@H]2CC=CCC2)O1 ZINC000132981836 591753636 /nfs/dbraw/zinc/75/36/36/591753636.db2.gz MJQZYZBLFOOYKX-QWRGUYRKSA-N 0 0 240.299 2.037 10 0 BEAERN CC1(C)OC[C@H](COC(=O)[C@@H]2CC=CCC2)O1 ZINC000132982254 591754969 /nfs/dbraw/zinc/75/49/69/591754969.db2.gz MJQZYZBLFOOYKX-MNOVXSKESA-N 0 0 240.299 2.037 10 0 BEAERN CN(CCc1ccncc1)C(=O)N1CCCCC1 ZINC000133633450 591843521 /nfs/dbraw/zinc/84/35/21/591843521.db2.gz OWXRFCLVYRLDSK-UHFFFAOYSA-N 0 0 247.342 2.162 10 0 BEAERN Cc1ccccc1OCCn1ccc([C@@H](C)O)n1 ZINC000133706150 591849542 /nfs/dbraw/zinc/84/95/42/591849542.db2.gz UVHKXQALZGSHEF-GFCCVEGCSA-N 0 0 246.310 2.324 10 0 BEAERN C[C@H](O)c1ccn(CCCOc2ccccc2)n1 ZINC000133706936 591850292 /nfs/dbraw/zinc/85/02/92/591850292.db2.gz MZYHANDXWUUBJR-LBPRGKRZSA-N 0 0 246.310 2.406 10 0 BEAERN CCCCCCC(=O)N1CCC(=O)[C@H](C)C1 ZINC000133747141 591852769 /nfs/dbraw/zinc/85/27/69/591852769.db2.gz OGGLGIDWARVMGG-LLVKDONJSA-N 0 0 225.332 2.394 10 0 BEAERN CNc1ncc(C(=O)NCC2(C)CCC2)s1 ZINC000133888604 591868233 /nfs/dbraw/zinc/86/82/33/591868233.db2.gz CHRRGQWNQPASMY-UHFFFAOYSA-N 0 0 239.344 2.105 10 0 BEAERN CCCCCCOC(=O)c1ncccc1N ZINC000133950150 591870504 /nfs/dbraw/zinc/87/05/04/591870504.db2.gz IPSUOYCIAOGXBG-UHFFFAOYSA-N 0 0 222.288 2.401 10 0 BEAERN Cc1nnc(CNCc2ccccc2C)s1 ZINC000134664963 591946279 /nfs/dbraw/zinc/94/62/79/591946279.db2.gz JOWGRZUWLVUQRH-UHFFFAOYSA-N 0 0 233.340 2.445 10 0 BEAERN Cc1nnc(CNCc2ccc(F)cc2)s1 ZINC000134663999 591946758 /nfs/dbraw/zinc/94/67/58/591946758.db2.gz WZKKCHLOMCXIGY-UHFFFAOYSA-N 0 0 237.303 2.275 10 0 BEAERN Cc1nnc(CN[C@H](C)CC(F)(F)F)s1 ZINC000134722083 591947565 /nfs/dbraw/zinc/94/75/65/591947565.db2.gz JMHXFWAWXAGKQI-RXMQYKEDSA-N 0 0 239.266 2.277 10 0 BEAERN C[C@@H](Sc1ccccn1)C(=O)OCC(F)F ZINC000135044751 591979341 /nfs/dbraw/zinc/97/93/41/591979341.db2.gz ZGXAPURIWKXMBG-SSDOTTSWSA-N 0 0 247.266 2.371 10 0 BEAERN CC(=O)CCN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC000135197173 591994967 /nfs/dbraw/zinc/99/49/67/591994967.db2.gz VCGORRQORACVDH-UHFFFAOYSA-N 0 0 244.294 2.219 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2ccc(N)cc2)C1 ZINC000135287017 592003258 /nfs/dbraw/zinc/00/32/58/592003258.db2.gz FSURGYJEWZJHMU-LBPRGKRZSA-N 0 0 232.327 2.387 10 0 BEAERN OC1(CNOC2CCCC2)CCCCC1 ZINC000137010824 592153069 /nfs/dbraw/zinc/15/30/69/592153069.db2.gz JOJYXPBAVQXCKV-UHFFFAOYSA-N 0 0 213.321 2.145 10 0 BEAERN CCN(C(=O)NC)c1nnc(C(C)(C)C)s1 ZINC000138355943 592267708 /nfs/dbraw/zinc/26/77/08/592267708.db2.gz SXHBKICEQKVUJV-UHFFFAOYSA-N 0 0 242.348 2.001 10 0 BEAERN Cc1nc([C@@H](O)C(F)(F)F)sc1C ZINC000138959394 592323235 /nfs/dbraw/zinc/32/32/35/592323235.db2.gz CDKOMTHQLLYIMO-RXMQYKEDSA-N 0 0 211.208 2.356 10 0 BEAERN CC(C)[C@@H]1CCC[C@]2(C[NH2+]C[C@H]2C(=O)[O-])C1 ZINC000300237058 592505043 /nfs/dbraw/zinc/50/50/43/592505043.db2.gz VMAGTRGTYYXJPK-NTZNESFSSA-N 0 0 225.332 2.123 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000300239681 592505203 /nfs/dbraw/zinc/50/52/03/592505203.db2.gz BXAUQOPWQMQQJI-BNOWGMLFSA-N 0 0 247.338 2.272 10 0 BEAERN CC[C@@H]1CC[C@H](C)N1c1ncc(C=O)cn1 ZINC000126429881 592724544 /nfs/dbraw/zinc/72/45/44/592724544.db2.gz JASHVYYOLUMONJ-GXSJLCMTSA-N 0 0 219.288 2.056 10 0 BEAERN Cc1ccncc1N[C@H]1COCC1(C)C ZINC000312998496 634430565 /nfs/dbraw/zinc/43/05/65/634430565.db2.gz MDXWLLAZVNPVQA-NSHDSACASA-N 0 0 206.289 2.227 10 0 BEAERN O[C@@H]1CCN(CC2CC2)c2ccccc21 ZINC000124908552 634436842 /nfs/dbraw/zinc/43/68/42/634436842.db2.gz PESNFPHBCCTCAA-CYBMUJFWSA-N 0 0 203.285 2.340 10 0 BEAERN CC[C@@H]1CN(c2ccc(C=O)o2)C[C@@H](CC)O1 ZINC000398649241 634611667 /nfs/dbraw/zinc/61/16/67/634611667.db2.gz YBKAMQMFSGNUJY-GHMZBOCLSA-N 0 0 237.299 2.486 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccccc1 ZINC000234159876 635550301 /nfs/dbraw/zinc/55/03/01/635550301.db2.gz MYKRVFYVUNERMY-VXGBXAGGSA-N 0 0 219.284 2.440 10 0 BEAERN CCN(c1ncc(C=O)cn1)C1CCCC1 ZINC000126384820 635605720 /nfs/dbraw/zinc/60/57/20/635605720.db2.gz ZSTMYAZTEZPLCJ-UHFFFAOYSA-N 0 0 219.288 2.058 10 0 BEAERN O=C(OCCc1cccnc1)[C@H]1C[C@H]1C1CC1 ZINC000176132322 631535664 /nfs/dbraw/zinc/53/56/64/631535664.db2.gz ZUMCMOGTDMQXSQ-STQMWFEESA-N 0 0 231.295 2.213 10 0 BEAERN CCC[C@H](N)c1nc(-c2ccc(F)cn2)no1 ZINC000094043726 631574592 /nfs/dbraw/zinc/57/45/92/631574592.db2.gz RTYQGLRBXKSFOI-QMMMGPOBSA-N 0 0 236.250 2.071 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000308888391 631714390 /nfs/dbraw/zinc/71/43/90/631714390.db2.gz VDFSAQOEJQJEAW-WPRPVWTQSA-N 0 0 226.707 2.450 10 0 BEAERN C[C@@H](COc1ccccc1)OC(=O)C1CC1 ZINC000121716517 631724899 /nfs/dbraw/zinc/72/48/99/631724899.db2.gz ALDIMOBJGAWXOA-JTQLQIEISA-N 0 0 220.268 2.407 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1[C@H]1C[C@H]1C ZINC000043375649 631776912 /nfs/dbraw/zinc/77/69/12/631776912.db2.gz YGYDOBNKLYHJNJ-BDAKNGLRSA-N 0 0 207.321 2.324 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccnc2ccsc21 ZINC000309037152 631807238 /nfs/dbraw/zinc/80/72/38/631807238.db2.gz IVPSTGKGPNMPKZ-JGVFFNPUSA-N 0 0 222.313 2.478 10 0 BEAERN COc1ccc2nc(CC3CC3)c(NN)cc2c1 ZINC000725268654 631863728 /nfs/dbraw/zinc/86/37/28/631863728.db2.gz XQJYTCOKTCTAEH-UHFFFAOYSA-N 0 0 243.310 2.482 10 0 BEAERN CSCCCCCCNC(=O)n1ccnc1 ZINC000235100022 631952001 /nfs/dbraw/zinc/95/20/01/631952001.db2.gz JHIAUZOGHOUGDE-UHFFFAOYSA-N 0 0 241.360 2.364 10 0 BEAERN CS[C@@H]1CC[C@@H](NC(=O)OC(C)C)C1 ZINC000235121389 632008686 /nfs/dbraw/zinc/00/86/86/632008686.db2.gz LEHDNIVXSXSDDY-RKDXNWHRSA-N 0 0 217.334 2.405 10 0 BEAERN CC[C@H](C)COC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248281924 632112863 /nfs/dbraw/zinc/11/28/63/632112863.db2.gz VNBBRQKMSZYCQS-AEJSXWLSSA-N 0 0 200.278 2.143 10 0 BEAERN Cc1cccc([C@@H](C)NC(=O)C(F)F)c1 ZINC000235210419 632537737 /nfs/dbraw/zinc/53/77/37/632537737.db2.gz JDHAKQDFQUUSSZ-MRVPVSSYSA-N 0 0 213.227 2.437 10 0 BEAERN C[C@@H]1CCC[C@@H](CNC(=O)n2ccnc2)C1 ZINC000235294343 632614970 /nfs/dbraw/zinc/61/49/70/632614970.db2.gz YTSCYNVZEMCKSP-GHMZBOCLSA-N 0 0 221.304 2.267 10 0 BEAERN C=CCCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192107795 632726295 /nfs/dbraw/zinc/72/62/95/632726295.db2.gz HYEMBFWXUIHFJS-QWRGUYRKSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@H]1CCC[C@@H](CNC(=O)n2ccnc2)C1 ZINC000235605257 632795921 /nfs/dbraw/zinc/79/59/21/632795921.db2.gz YTSCYNVZEMCKSP-WDEREUQCSA-N 0 0 221.304 2.267 10 0 BEAERN CC[C@H](C)OCC(=O)O[C@@H](C)C1CCOCC1 ZINC000155249034 632855994 /nfs/dbraw/zinc/85/59/94/632855994.db2.gz GAMGUYWZDCUQGC-QWRGUYRKSA-N 0 0 244.331 2.160 10 0 BEAERN Nc1nn(Cc2cncc(Cl)c2)cc1Cl ZINC000703659100 633029896 /nfs/dbraw/zinc/02/98/96/633029896.db2.gz RCZHMQSWHDOGIW-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Cc1cc(Cn2ncc(N)c2C)cs1 ZINC000704872411 633092415 /nfs/dbraw/zinc/09/24/15/633092415.db2.gz HBDFYTOUXYQHQS-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN O[C@@H](C[C@H]1CCCC1(F)F)c1cn[nH]c1 ZINC000394296117 633159231 /nfs/dbraw/zinc/15/92/31/633159231.db2.gz PNAOAWTUUKGZFZ-BDAKNGLRSA-N 0 0 216.231 2.269 10 0 BEAERN CC(C)(C)[C@H](O)COc1ccc(C=O)cc1F ZINC000304211286 635937474 /nfs/dbraw/zinc/93/74/74/635937474.db2.gz FDXWPCAGUXNVEG-GFCCVEGCSA-N 0 0 240.274 2.424 10 0 BEAERN O=C(CCn1cccn1)OCc1cccc(F)c1 ZINC000126688121 635951015 /nfs/dbraw/zinc/95/10/15/635951015.db2.gz YQQYXQHLJCMYSY-UHFFFAOYSA-N 0 0 248.257 2.156 10 0 BEAERN CC(C)OC(=O)N[C@H]1CCS[C@H]1C ZINC000307617422 635990559 /nfs/dbraw/zinc/99/05/59/635990559.db2.gz RKGCNXQFVKFAPC-YUMQZZPRSA-N 0 0 203.307 2.015 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000309901635 633916119 /nfs/dbraw/zinc/91/61/19/633916119.db2.gz HYCZELZCWBTJGU-NKWVEPMBSA-N 0 0 234.221 2.282 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000309977607 634012516 /nfs/dbraw/zinc/01/25/16/634012516.db2.gz UKXBTDBNJTUPLA-NKWVEPMBSA-N 0 0 234.221 2.282 10 0 BEAERN CCOC[C@H](C)OC(=O)Cc1ccccc1F ZINC000190768915 634193608 /nfs/dbraw/zinc/19/36/08/634193608.db2.gz DAPGQHHHYKYFLR-JTQLQIEISA-N 0 0 240.274 2.336 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccncc1CC ZINC000190756566 634194463 /nfs/dbraw/zinc/19/44/63/634194463.db2.gz AAGQJXTYIWSIEL-JTQLQIEISA-N 0 0 237.299 2.226 10 0 BEAERN CCOC[C@H](C)OC(=O)c1scnc1C ZINC000190784233 634194507 /nfs/dbraw/zinc/19/45/07/634194507.db2.gz QCKZNZCYQQHAJG-ZETCQYMHSA-N 0 0 229.301 2.033 10 0 BEAERN O[C@@H]1CCN(C[C@@H]2CCCCO2)c2ccccc21 ZINC000123442858 634240237 /nfs/dbraw/zinc/24/02/37/634240237.db2.gz KGYDFKYPRLVDLS-SWLSCSKDSA-N 0 0 247.338 2.499 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CCCO[C@H]1C)C(C)(C)C#N ZINC000248853834 635117129 /nfs/dbraw/zinc/11/71/29/635117129.db2.gz CZPANZWZNOYMMA-AXFHLTTASA-N 0 0 239.315 2.283 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)O[C@H](C#N)C(C)(C)C ZINC000248997941 635117685 /nfs/dbraw/zinc/11/76/85/635117685.db2.gz KOKBFOFKHUIQRD-GARJFASQSA-N 0 0 239.315 2.283 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)O[C@H](C#N)C(C)(C)C ZINC000248997944 635118518 /nfs/dbraw/zinc/11/85/18/635118518.db2.gz KOKBFOFKHUIQRD-HBNTYKKESA-N 0 0 239.315 2.283 10 0 BEAERN OCCC[C@H]1CCCN1CC(F)(F)C(F)F ZINC000303142528 635926025 /nfs/dbraw/zinc/92/60/25/635926025.db2.gz BEZKMNNJKYTFLU-MRVPVSSYSA-N 0 0 243.244 2.124 10 0 BEAERN C[C@@H](OC(=O)c1ccccc1)[C@H]1CCOC1 ZINC000079175708 636253722 /nfs/dbraw/zinc/25/37/22/636253722.db2.gz LYKVTKWOGVWGHG-PWSUYJOCSA-N 0 0 220.268 2.268 10 0 BEAERN COC(=O)C1(C[C@H]2CO2)CCC(F)(F)CC1 ZINC000669372377 636548117 /nfs/dbraw/zinc/54/81/17/636548117.db2.gz OPSPXJYBTWRICN-QMMMGPOBSA-N 0 0 234.242 2.144 10 0 BEAERN O[C@H]1CCN(CC[C@@H]2CCCO2)c2ccccc21 ZINC000123589198 636700106 /nfs/dbraw/zinc/70/01/06/636700106.db2.gz UNVMFUHMZBLSEC-WFASDCNBSA-N 0 0 247.338 2.499 10 0 BEAERN O=C1C[C@H](c2ccc(Cl)c(F)c2)CN1 ZINC000203889521 636703282 /nfs/dbraw/zinc/70/32/82/636703282.db2.gz ZBKPOKJCSNNXCY-ZETCQYMHSA-N 0 0 213.639 2.083 10 0 BEAERN C[C@H]1CC[C@H]([NH2+]Cc2cc(C(=O)[O-])co2)C1 ZINC000128494170 637080127 /nfs/dbraw/zinc/08/01/27/637080127.db2.gz QDOOJFMSOAZNKH-WPRPVWTQSA-N 0 0 223.272 2.256 10 0 BEAERN CC[C@H](C(=O)N[C@H](C)[C@@H](C)O)c1ccccc1 ZINC000346400490 637105508 /nfs/dbraw/zinc/10/55/08/637105508.db2.gz JUHVZRRSNXHWIN-WZRBSPASSA-N 0 0 235.327 2.066 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)[C@@H](C)O)ccc1Cl ZINC000346410661 637110647 /nfs/dbraw/zinc/11/06/47/637110647.db2.gz MOCLEOSVZDYDEI-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000346418460 637111284 /nfs/dbraw/zinc/11/12/84/637111284.db2.gz NMKKUYVGNZDXKQ-MNOVXSKESA-N 0 0 235.327 2.309 10 0 BEAERN Cc1csc(C(=O)N[C@H](C)[C@H](C)O)c1Cl ZINC000346420967 637115077 /nfs/dbraw/zinc/11/50/77/637115077.db2.gz APEIBNJZUIMNCG-RQJHMYQMSA-N 0 0 247.747 2.209 10 0 BEAERN Cc1c2ccccc2oc1C(=O)N[C@@H](C)[C@H](C)O ZINC000346431195 637125548 /nfs/dbraw/zinc/12/55/48/637125548.db2.gz SLFOISDOYXYVCB-UWVGGRQHSA-N 0 0 247.294 2.240 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1ccc2sccc2c1 ZINC000346431106 637125559 /nfs/dbraw/zinc/12/55/59/637125559.db2.gz ZRAYSXCZRRUFLF-IUCAKERBSA-N 0 0 249.335 2.400 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1ccc2sccc2c1 ZINC000346431105 637126438 /nfs/dbraw/zinc/12/64/38/637126438.db2.gz ZRAYSXCZRRUFLF-DTWKUNHWSA-N 0 0 249.335 2.400 10 0 BEAERN Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H](C)O ZINC000346440840 637140865 /nfs/dbraw/zinc/14/08/65/637140865.db2.gz ZHCJILWDFARZEG-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)O)cc1Cl ZINC000346467248 637145691 /nfs/dbraw/zinc/14/56/91/637145691.db2.gz PMCSJHGAJKDYMK-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000346540356 637166275 /nfs/dbraw/zinc/16/62/75/637166275.db2.gz YMESTGCYXJUPDO-GHMZBOCLSA-N 0 0 249.354 2.483 10 0 BEAERN COC(=O)[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000043368845 638283849 /nfs/dbraw/zinc/28/38/49/638283849.db2.gz ZWHZNGQAOBBNDN-MRVPVSSYSA-N 0 0 224.231 2.208 10 0 BEAERN Cc1noc(COc2cccc([C@H](C)O)c2)n1 ZINC000035627708 639765422 /nfs/dbraw/zinc/76/54/22/639765422.db2.gz UHDNMBYYHVVEGL-QMMMGPOBSA-N 0 0 234.255 2.010 10 0 BEAERN CCC(=O)c1ccc(-n2ccnc2C)cn1 ZINC000164250766 640456975 /nfs/dbraw/zinc/45/69/75/640456975.db2.gz GCOLEFSLTMXVHM-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN C/C(=C\C(=O)NCc1cscn1)C1CC1 ZINC000056693614 640561675 /nfs/dbraw/zinc/56/16/75/640561675.db2.gz RILPZORSTSHQOL-XBXARRHUSA-N 0 0 222.313 2.116 10 0 BEAERN COc1c2c(sc1C(=O)NC(C)C)CCC2 ZINC000223472804 640563515 /nfs/dbraw/zinc/56/35/15/640563515.db2.gz UTDSPSFMCSDQFZ-UHFFFAOYSA-N 0 0 239.340 2.384 10 0 BEAERN Nc1ccn(Cc2cc(F)ccc2Cl)n1 ZINC000165948032 640604210 /nfs/dbraw/zinc/60/42/10/640604210.db2.gz PGGUDCOSKORESF-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CO[C@@H](C)Cn1ccc2ccc(N)cc21 ZINC000167138968 640704507 /nfs/dbraw/zinc/70/45/07/640704507.db2.gz KTIGJQLHTFCACR-VIFPVBQESA-N 0 0 204.273 2.258 10 0 BEAERN Cc1nc(-c2cc(N)ccc2Cl)n(C)n1 ZINC000054499253 640705611 /nfs/dbraw/zinc/70/56/11/640705611.db2.gz AUMRYUZAXHGCJM-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN CCOC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000038916878 640726256 /nfs/dbraw/zinc/72/62/56/640726256.db2.gz CEFIIPLENCZTDM-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN Cc1ccc(N)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000157807218 640739639 /nfs/dbraw/zinc/73/96/39/640739639.db2.gz BYENKHQTQQEADM-BXKDBHETSA-N 0 0 234.299 2.083 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2cccc(F)n2)o1 ZINC000226674737 640790162 /nfs/dbraw/zinc/79/01/62/640790162.db2.gz UQBRXACEFNJRLC-QMMMGPOBSA-N 0 0 249.245 2.008 10 0 BEAERN CC[C@H](SC)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000158212128 640824851 /nfs/dbraw/zinc/82/48/51/640824851.db2.gz AKMTXUDTXOEOCH-AEJSXWLSSA-N 0 0 232.345 2.096 10 0 BEAERN CCN(C(=O)N[C@@H]1COc2ccccc21)C1CC1 ZINC000060587342 640870370 /nfs/dbraw/zinc/87/03/70/640870370.db2.gz NQMGMBRCAQUKLX-GFCCVEGCSA-N 0 0 246.310 2.314 10 0 BEAERN CC(C)[C@@H](C)Nc1ncnc2c1CCC2 ZINC000061276683 640948221 /nfs/dbraw/zinc/94/82/21/640948221.db2.gz GMXVTQMUTYMYPS-SECBINFHSA-N 0 0 205.305 2.422 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)COc1ccc2c(c1)CCC2 ZINC000171068849 640954015 /nfs/dbraw/zinc/95/40/15/640954015.db2.gz VLDXVSYLEDEMGY-YGRLFVJLSA-N 0 0 245.322 2.079 10 0 BEAERN CCc1cccc2c1OC[C@@H](C(C)=O)C2 ZINC000675064343 640960925 /nfs/dbraw/zinc/96/09/25/640960925.db2.gz YFYGEHAZDHGDBM-LBPRGKRZSA-N 0 0 204.269 2.389 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Oc1cc(C)ccc1C ZINC000171175203 640961102 /nfs/dbraw/zinc/96/11/02/640961102.db2.gz HOKBBQMBJIJFRP-GHMZBOCLSA-N 0 0 248.278 2.018 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)OC1CCCCCC1 ZINC000171174890 640961134 /nfs/dbraw/zinc/96/11/34/640961134.db2.gz QUGZJDJDXXWGHI-GHMZBOCLSA-N 0 0 240.299 2.062 10 0 BEAERN COCCC(=O)C=C(O)C1CCCCC1 ZINC000061442216 640965390 /nfs/dbraw/zinc/96/53/90/640965390.db2.gz BHUFTPWPGKGAGC-UHFFFAOYSA-N 0 0 212.289 2.132 10 0 BEAERN CN[C@H](C)c1nc([C@H]2CCCCS2)no1 ZINC000087700276 640979193 /nfs/dbraw/zinc/97/91/93/640979193.db2.gz HEQNWESWWBRWNE-HTQZYQBOSA-N 0 0 227.333 2.308 10 0 BEAERN CCONC(=O)NC1CCC(CC)CC1 ZINC000171580351 640991505 /nfs/dbraw/zinc/99/15/05/640991505.db2.gz ZPCJUHOTGJJOAT-UHFFFAOYSA-N 0 0 214.309 2.206 10 0 BEAERN CN(C)c1nc(/C=C\c2ccccc2)nn1C ZINC000229981847 641001716 /nfs/dbraw/zinc/00/17/16/641001716.db2.gz ZJICGPNUJHPGLL-KTKRTIGZSA-N 0 0 228.299 2.052 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC/C=C/c1ccccc1 ZINC000171853249 641016361 /nfs/dbraw/zinc/01/63/61/641016361.db2.gz IZDSJGPONIIBHC-XPDZNBDNSA-N 0 0 230.311 2.407 10 0 BEAERN CCCNc1cc(N[C@@H]2C[C@@H]2C)ncn1 ZINC000087827521 641059034 /nfs/dbraw/zinc/05/90/34/641059034.db2.gz GCXUXSUJNJOVHU-DTWKUNHWSA-N 0 0 206.293 2.119 10 0 BEAERN CCc1csc(NC2CC(OC)C2)n1 ZINC000230593287 641069570 /nfs/dbraw/zinc/06/95/70/641069570.db2.gz VONHHALZPVYBMD-UHFFFAOYSA-N 0 0 212.318 2.295 10 0 BEAERN CC(C)C(=O)N1CCN(c2ccccc2)[C@@H](C)C1 ZINC000062690688 641075074 /nfs/dbraw/zinc/07/50/74/641075074.db2.gz SFCNOHFTRNUTBA-ZDUSSCGKSA-N 0 0 246.354 2.380 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@@H](O)c2ccccc2)o1 ZINC000230642624 641076712 /nfs/dbraw/zinc/07/67/12/641076712.db2.gz NOIJKMFYYKJXSD-DGCLKSJQSA-N 0 0 246.310 2.367 10 0 BEAERN COCCOC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000174019459 641228961 /nfs/dbraw/zinc/22/89/61/641228961.db2.gz DRMLLGYMZYBFHO-RYUDHWBXSA-N 0 0 226.316 2.392 10 0 BEAERN CCC(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000174129364 641252008 /nfs/dbraw/zinc/25/20/08/641252008.db2.gz ZTUJXWSUFIQRNB-SECBINFHSA-N 0 0 236.267 2.472 10 0 BEAERN CCc1c(N)n[nH]c1-c1sccc1OC ZINC000088028637 641254359 /nfs/dbraw/zinc/25/43/59/641254359.db2.gz PMSYXTJNAUVIJO-UHFFFAOYSA-N 0 0 223.301 2.291 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[NH2+][C@H](C)C(C)C ZINC000232423156 641275097 /nfs/dbraw/zinc/27/50/97/641275097.db2.gz PFFGDTJOUFAHFK-MRVPVSSYSA-N 0 0 225.288 2.420 10 0 BEAERN CC(C)COc1c(N)cncc1Br ZINC000232583037 641306612 /nfs/dbraw/zinc/30/66/12/641306612.db2.gz CJTLEGCNJHTICK-UHFFFAOYSA-N 0 0 245.120 2.461 10 0 BEAERN CC[C@@H](C)C(=O)O[C@H](C)C1CCOCC1 ZINC000151677390 641456111 /nfs/dbraw/zinc/45/61/11/641456111.db2.gz MMVHDXNSRISVEB-NXEZZACHSA-N 0 0 214.305 2.391 10 0 BEAERN CC[C@H](C)C(=O)O[C@H](C)C1CCOCC1 ZINC000151677451 641456659 /nfs/dbraw/zinc/45/66/59/641456659.db2.gz MMVHDXNSRISVEB-VHSXEESVSA-N 0 0 214.305 2.391 10 0 BEAERN Nc1ccc(C(=O)NCCc2ccsc2)cc1 ZINC000042596860 641556209 /nfs/dbraw/zinc/55/62/09/641556209.db2.gz FNHUSALZCGEINR-UHFFFAOYSA-N 0 0 246.335 2.303 10 0 BEAERN C[C@H](OC(=O)C1(C)CC1)C1CCOCC1 ZINC000156013730 641590753 /nfs/dbraw/zinc/59/07/53/641590753.db2.gz NJLYTFJHNCWMQM-VIFPVBQESA-N 0 0 212.289 2.145 10 0 BEAERN CSC(C)(C)CNC(=O)N[C@H](C)C(C)C ZINC000174746730 641674568 /nfs/dbraw/zinc/67/45/68/641674568.db2.gz UJKXQHKDPMIUEV-SECBINFHSA-N 0 0 232.393 2.472 10 0 BEAERN Nc1cc(-c2c(F)ccc(F)c2F)[nH]n1 ZINC000075879871 641778044 /nfs/dbraw/zinc/77/80/44/641778044.db2.gz LJVZONMYONYPCE-UHFFFAOYSA-N 0 0 213.162 2.076 10 0 BEAERN CC1(CNC(=O)n2ccnc2)CCCCC1 ZINC000232844027 641850558 /nfs/dbraw/zinc/85/05/58/641850558.db2.gz ZPSBRXUBSXALBF-UHFFFAOYSA-N 0 0 221.304 2.411 10 0 BEAERN CCOC[C@H](C)OC(=O)CCc1ccoc1 ZINC000190763792 641884881 /nfs/dbraw/zinc/88/48/81/641884881.db2.gz ZKUKCLRXNYQKKL-JTQLQIEISA-N 0 0 226.272 2.180 10 0 BEAERN CCOC[C@H](C)OC(=O)CCc1ccco1 ZINC000190760685 641885561 /nfs/dbraw/zinc/88/55/61/641885561.db2.gz NERMRSIRUMHYKE-JTQLQIEISA-N 0 0 226.272 2.180 10 0 BEAERN CC(C)(C)OC(=O)/C=C/C1CCOCC1 ZINC000078067762 641897102 /nfs/dbraw/zinc/89/71/02/641897102.db2.gz AVMKJHOPTXNTBU-SNAWJCMRSA-N 0 0 212.289 2.311 10 0 BEAERN CSCCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192104574 641962006 /nfs/dbraw/zinc/96/20/06/641962006.db2.gz VIRLFSNYVDUKBC-NXEZZACHSA-N 0 0 232.345 2.098 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OC1CCCC1 ZINC000192107189 641963671 /nfs/dbraw/zinc/96/36/71/641963671.db2.gz RKBUKEXKFUNMTP-ONGXEEELSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@@H]1CCn2nc(C(F)(F)F)cc2N1 ZINC000235358200 642455150 /nfs/dbraw/zinc/45/51/50/642455150.db2.gz CQYVUHMJIALFNW-RXMQYKEDSA-N 0 0 205.183 2.106 10 0 BEAERN CSCCCC(=O)OC[C@@H]1C[C@H]1C ZINC000308166773 642476462 /nfs/dbraw/zinc/47/64/62/642476462.db2.gz AAABCNJYSZOXPL-BDAKNGLRSA-N 0 0 202.319 2.329 10 0 BEAERN CC(C)(C)SCC(=O)NC[C@@H](O)C(C)(C)C ZINC000305066694 642633785 /nfs/dbraw/zinc/63/37/85/642633785.db2.gz MIXYHFCLPFDIKB-SECBINFHSA-N 0 0 247.404 2.041 10 0 BEAERN CC[C@H](C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175226618 642663315 /nfs/dbraw/zinc/66/33/15/642663315.db2.gz DMHDZQXHFUVEME-IVZWLZJFSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H](OC(=O)c1ccsc1)[C@H]1CCOC1 ZINC000175232786 642663656 /nfs/dbraw/zinc/66/36/56/642663656.db2.gz LJWKRTHEXDQYFZ-IUCAKERBSA-N 0 0 226.297 2.330 10 0 BEAERN CCCCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175236668 642664316 /nfs/dbraw/zinc/66/43/16/642664316.db2.gz KXVRQWDJHYYZPI-UWVGGRQHSA-N 0 0 200.278 2.145 10 0 BEAERN CCCc1nccn1-c1ncccc1C=O ZINC000233371474 642665148 /nfs/dbraw/zinc/66/51/48/642665148.db2.gz UEZCJAMEPHFURG-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN C[C@H](OC(=O)CSC(C)(C)C)[C@@H]1CCOC1 ZINC000175287626 642670591 /nfs/dbraw/zinc/67/05/91/642670591.db2.gz VSVIUPDVZNMKOU-VHSXEESVSA-N 0 0 246.372 2.486 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(O)cc1C ZINC000233948358 642712782 /nfs/dbraw/zinc/71/27/82/642712782.db2.gz PYXDNOAEXNHMKG-AAEUAGOBSA-N 0 0 249.310 2.454 10 0 BEAERN O=C(N[C@H]1CCCC[C@@H]1CO)OC1CCCC1 ZINC000306093288 642721398 /nfs/dbraw/zinc/72/13/98/642721398.db2.gz KTPZLLZTASNGNV-PWSUYJOCSA-N 0 0 241.331 2.206 10 0 BEAERN CCn1nccc1-c1ccc(C=O)cc1 ZINC000069022576 642820402 /nfs/dbraw/zinc/82/04/02/642820402.db2.gz GOGFMYMNUIIEEJ-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN c1csc(CN[C@@H]2COc3ccccc32)n1 ZINC000069606620 642883312 /nfs/dbraw/zinc/88/33/12/642883312.db2.gz SMAPNEKITWBUEE-SNVBAGLBSA-N 0 0 232.308 2.366 10 0 BEAERN Cc1ccc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991897 642932202 /nfs/dbraw/zinc/93/22/02/642932202.db2.gz GYHNUILEPMUMHN-OLZOCXBDSA-N 0 0 233.311 2.033 10 0 BEAERN O[C@@H](CSc1cnccn1)c1ccccc1 ZINC000070159882 642979021 /nfs/dbraw/zinc/97/90/21/642979021.db2.gz SUQLTKGKZXKUOW-NSHDSACASA-N 0 0 232.308 2.302 10 0 BEAERN CCCCOC(=O)c1ccc(COC)o1 ZINC000118011440 643040182 /nfs/dbraw/zinc/04/01/82/643040182.db2.gz UWUOYBNXDZCSNF-UHFFFAOYSA-N 0 0 212.245 2.383 10 0 BEAERN CC[C@H](NC(=O)n1ccnc1)c1nccs1 ZINC000070734507 643067531 /nfs/dbraw/zinc/06/75/31/643067531.db2.gz SQZKMRAABQFEDM-QMMMGPOBSA-N 0 0 236.300 2.049 10 0 BEAERN C/C(=C\C(=O)OCC(F)(F)F)C1CC1 ZINC000120081488 643077492 /nfs/dbraw/zinc/07/74/92/643077492.db2.gz UFSBFGBWYUCGJA-GQCTYLIASA-N 0 0 208.179 2.448 10 0 BEAERN O=C(Nc1nncs1)N1CCCCCCC1 ZINC000043130459 643148001 /nfs/dbraw/zinc/14/80/01/643148001.db2.gz YRSOBJDKAPJXDQ-UHFFFAOYSA-N 0 0 240.332 2.336 10 0 BEAERN N#CC1(COC(=O)[C@H]2C[C@H]2C2CC2)CCC1 ZINC000183830923 643171201 /nfs/dbraw/zinc/17/12/01/643171201.db2.gz UEANOTHZXNVHBE-QWRGUYRKSA-N 0 0 219.284 2.270 10 0 BEAERN Cc1nscc1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000184570282 643217797 /nfs/dbraw/zinc/21/77/97/643217797.db2.gz OOTFMFYLIPOXAF-IUCAKERBSA-N 0 0 241.312 2.033 10 0 BEAERN Cc1nscc1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000184570299 643217915 /nfs/dbraw/zinc/21/79/15/643217915.db2.gz OOTFMFYLIPOXAF-BDAKNGLRSA-N 0 0 241.312 2.033 10 0 BEAERN CC1(C)CCC[C@@H]1CNC(=O)n1ccnc1 ZINC000306744813 643232319 /nfs/dbraw/zinc/23/23/19/643232319.db2.gz YWDVFOZUBVDNEV-SNVBAGLBSA-N 0 0 221.304 2.267 10 0 BEAERN Cc1cc(C)cc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991894 643255390 /nfs/dbraw/zinc/25/53/90/643255390.db2.gz HCZBPUVNGFFTIP-STQMWFEESA-N 0 0 233.311 2.033 10 0 BEAERN CC[C@H](C)c1noc(-c2ccc(N)nc2)n1 ZINC000082561099 643343702 /nfs/dbraw/zinc/34/37/02/643343702.db2.gz TVNXJILEXKKEML-ZETCQYMHSA-N 0 0 218.260 2.227 10 0 BEAERN CCC[C@@H]([NH2+]CCc1cccs1)C(=O)[O-] ZINC000082602633 643353402 /nfs/dbraw/zinc/35/34/02/643353402.db2.gz BCURGZKDTGLTDB-SNVBAGLBSA-N 0 0 227.329 2.134 10 0 BEAERN CCC[C@H]([NH2+]CCc1cccs1)C(=O)[O-] ZINC000082602632 643353859 /nfs/dbraw/zinc/35/38/59/643353859.db2.gz BCURGZKDTGLTDB-JTQLQIEISA-N 0 0 227.329 2.134 10 0 BEAERN COC(=O)[C@@]1(F)C[C@@H](C(C)(C)C)CCC1=O ZINC000757183596 643359413 /nfs/dbraw/zinc/35/94/13/643359413.db2.gz PYHLEWJAJZGRTL-QPUJVOFHSA-N 0 0 230.279 2.283 10 0 BEAERN CCOC(=O)/C=C(/C)c1ccc2c(c1)OCCO2 ZINC000757192817 643364322 /nfs/dbraw/zinc/36/43/22/643364322.db2.gz VIDJZGXGOAEIJA-NTMALXAHSA-N 0 0 248.278 2.424 10 0 BEAERN CC1(C)CCCC[C@@H]1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757192974 643364378 /nfs/dbraw/zinc/36/43/78/643364378.db2.gz OYLSFGLRSLJXPY-OUAUKWLOSA-N 0 0 225.332 2.123 10 0 BEAERN CC[C@H](NC)c1nc(CC(C)(C)C)no1 ZINC000082673387 643365390 /nfs/dbraw/zinc/36/53/90/643365390.db2.gz BOYNBBDVFRPENW-QMMMGPOBSA-N 0 0 211.309 2.329 10 0 BEAERN C[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C3CC3)cc2)C1 ZINC000757192589 643366630 /nfs/dbraw/zinc/36/66/30/643366630.db2.gz QNXSMUBJCYSFHF-ZIAGYGMSSA-N 0 0 245.322 2.294 10 0 BEAERN O=C1C[C@H](c2cccc(Br)c2)N1 ZINC000082762343 643374865 /nfs/dbraw/zinc/37/48/65/643374865.db2.gz UGKCNPSBLTUIHR-MRVPVSSYSA-N 0 0 226.073 2.010 10 0 BEAERN O=C1C[C@@H](c2ccc(Br)s2)N1 ZINC000082762522 643375362 /nfs/dbraw/zinc/37/53/62/643375362.db2.gz RMXMMQUJXGTZHW-BYPYZUCNSA-N 0 0 232.102 2.072 10 0 BEAERN CCC(=O)OCC(Cl)(Cl)Cl ZINC000032164999 643414435 /nfs/dbraw/zinc/41/44/35/643414435.db2.gz MEFWWUOADZDECZ-UHFFFAOYSA-N 0 0 205.468 2.310 10 0 BEAERN Clc1ncccc1CNCc1ccccn1 ZINC000083360492 643439752 /nfs/dbraw/zinc/43/97/52/643439752.db2.gz LSTSDFSULZIZRM-UHFFFAOYSA-N 0 0 233.702 2.420 10 0 BEAERN CC(Cl)(Cl)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000307535776 643496744 /nfs/dbraw/zinc/49/67/44/643496744.db2.gz NSEKPFFNTKDXOY-BQBZGAKWSA-N 0 0 222.115 2.191 10 0 BEAERN CC(Cl)(Cl)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000307535778 643497268 /nfs/dbraw/zinc/49/72/68/643497268.db2.gz NSEKPFFNTKDXOY-NKWVEPMBSA-N 0 0 222.115 2.191 10 0 BEAERN CCN[C@H](C)c1nc(CC(C)(C)C)no1 ZINC000082675405 643521118 /nfs/dbraw/zinc/52/11/18/643521118.db2.gz LRGSUSORORHDPU-MRVPVSSYSA-N 0 0 211.309 2.329 10 0 BEAERN CCc1c(N)n(C)nc1-c1ccc(Cl)o1 ZINC000234146216 643533087 /nfs/dbraw/zinc/53/30/87/643533087.db2.gz OEQGLEWASRLVAR-UHFFFAOYSA-N 0 0 225.679 2.478 10 0 BEAERN CC(C)OC(=O)N[C@H]1CCS[C@@H]1C ZINC000307617419 643538863 /nfs/dbraw/zinc/53/88/63/643538863.db2.gz RKGCNXQFVKFAPC-SFYZADRCSA-N 0 0 203.307 2.015 10 0 BEAERN CCCC[C@H](CC)C(=O)N[C@@H](C)[C@H](C)O ZINC000346472755 643573512 /nfs/dbraw/zinc/57/35/12/643573512.db2.gz RDMQBMYQXQWLOE-DCAQKATOSA-N 0 0 215.337 2.088 10 0 BEAERN CCCNc1cc(C(=O)OCC)c(N)cc1F ZINC000050018417 643577068 /nfs/dbraw/zinc/57/70/68/643577068.db2.gz KKPBDXYIMUPMJV-UHFFFAOYSA-N 0 0 240.278 2.407 10 0 BEAERN CCOC(=O)c1cc(NC2CC2)c(F)cc1N ZINC000050018509 643577121 /nfs/dbraw/zinc/57/71/21/643577121.db2.gz BDNDVFMJNPCZBJ-UHFFFAOYSA-N 0 0 238.262 2.159 10 0 BEAERN CC(C)N=c1ccccn1C(=O)[C@H]1CC[C@H](C)O1 ZINC000255188089 643582612 /nfs/dbraw/zinc/58/26/12/643582612.db2.gz BWMUAHQCPLDIFC-NWDGAFQWSA-N 0 0 248.326 2.005 10 0 BEAERN OC[C@]12CC=CC[C@]1(CO)c1ccccc1CC2 ZINC000196252280 643623648 /nfs/dbraw/zinc/62/36/48/643623648.db2.gz CYHXCIAJIUKFLX-CVEARBPZSA-N 0 0 244.334 2.192 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1cccc(Cl)n1 ZINC000084239386 643653359 /nfs/dbraw/zinc/65/33/59/643653359.db2.gz JRAYRAATGALYRT-RKDXNWHRSA-N 0 0 226.707 2.308 10 0 BEAERN COC(=O)/C=C/c1ccnc2ccccc12 ZINC000036456498 643688536 /nfs/dbraw/zinc/68/85/36/643688536.db2.gz VMJQPCJJXUJJQM-VOTSOKGWSA-N 0 0 213.236 2.421 10 0 BEAERN CCOC(COc1cccc(C)n1)OCC ZINC000192190301 644135211 /nfs/dbraw/zinc/13/52/11/644135211.db2.gz OVBGITKLSVNHTE-UHFFFAOYSA-N 0 0 225.288 2.168 10 0 BEAERN Cc1occc1COC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192232725 644139510 /nfs/dbraw/zinc/13/95/10/644139510.db2.gz UXIMNOHXSZKKSC-ZYHUDNBSSA-N 0 0 238.283 2.446 10 0 BEAERN Cc1occc1COC(=O)[C@@H]1CCCO[C@H]1C ZINC000192232736 644139667 /nfs/dbraw/zinc/13/96/67/644139667.db2.gz UXIMNOHXSZKKSC-CMPLNLGQSA-N 0 0 238.283 2.446 10 0 BEAERN Cc1ncc(C(=O)O[C@H](C)[C@@H]2CCOC2)s1 ZINC000079175246 644158667 /nfs/dbraw/zinc/15/86/67/644158667.db2.gz DTBHVHWLYXXCDD-VXNVDRBHSA-N 0 0 241.312 2.033 10 0 BEAERN Cc1ncc(C(=O)O[C@H](C)[C@H]2CCOC2)s1 ZINC000079175248 644159308 /nfs/dbraw/zinc/15/93/08/644159308.db2.gz DTBHVHWLYXXCDD-APPZFPTMSA-N 0 0 241.312 2.033 10 0 BEAERN Clc1cccc(N[C@@H]2CCCn3ncnc32)n1 ZINC000192799055 644184561 /nfs/dbraw/zinc/18/45/61/644184561.db2.gz ZDBHNJAIPWMIDR-MRVPVSSYSA-N 0 0 249.705 2.274 10 0 BEAERN CO[C@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000194564919 644329864 /nfs/dbraw/zinc/32/98/64/644329864.db2.gz WKVUNPLOWKCHIK-JGVFFNPUSA-N 0 0 214.286 2.387 10 0 BEAERN Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])cc1C ZINC000082343126 644371536 /nfs/dbraw/zinc/37/15/36/644371536.db2.gz BAPLKOOJUQCAQN-STQMWFEESA-N 0 0 233.311 2.033 10 0 BEAERN CC[C@@H](C)C[C@H](C)NC(=O)n1ccnc1 ZINC000083865584 644412067 /nfs/dbraw/zinc/41/20/67/644412067.db2.gz RJGCRERQOGWXJV-ZJUUUORDSA-N 0 0 209.293 2.266 10 0 BEAERN CONC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087026871 644475254 /nfs/dbraw/zinc/47/52/54/644475254.db2.gz VCKGTHYNDYDNQL-QMMMGPOBSA-N 0 0 226.251 2.056 10 0 BEAERN COCCC[C@H](C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000245534457 644530260 /nfs/dbraw/zinc/53/02/60/644530260.db2.gz DYQOMMPIGBQCLL-TUAOUCFPSA-N 0 0 244.331 2.017 10 0 BEAERN CO[C@H](C)CCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246096492 644562765 /nfs/dbraw/zinc/56/27/65/644562765.db2.gz HRLPPKSFHKUFEW-DVVUODLYSA-N 0 0 212.289 2.001 10 0 BEAERN CC(C)[C@H](C)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000247081854 644620811 /nfs/dbraw/zinc/62/08/11/644620811.db2.gz QLJQFYFQMMKUSA-DCAQKATOSA-N 0 0 214.305 2.247 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248277893 644673164 /nfs/dbraw/zinc/67/31/64/644673164.db2.gz TYXQFSVMFBABEA-BBBLOLIVSA-N 0 0 200.278 2.142 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CCCO[C@H]1C)C(F)(F)F ZINC000248859588 644701714 /nfs/dbraw/zinc/70/17/14/644701714.db2.gz GAJMDWAZNZNWBJ-RNJXMRFFSA-N 0 0 240.221 2.296 10 0 BEAERN CCOC[C@H](C)OC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000248898036 644704232 /nfs/dbraw/zinc/70/42/32/644704232.db2.gz URMMPTZXSILJGJ-GRYCIOLGSA-N 0 0 244.331 2.302 10 0 BEAERN CCCCc1nc2[nH]ccc2c(NC)n1 ZINC000757569654 644849099 /nfs/dbraw/zinc/84/90/99/644849099.db2.gz UTPUMFLZDGMVAB-UHFFFAOYSA-N 0 0 204.277 2.294 10 0 BEAERN COc1ccc(C23CC(C2)CC3=O)cc1 ZINC000757543044 644870449 /nfs/dbraw/zinc/87/04/49/644870449.db2.gz LJWMYHGMUOHUNB-UHFFFAOYSA-N 0 0 202.253 2.316 10 0 BEAERN CC(C)(C)[C@H](O)COc1ccc(F)cc1C=O ZINC000304262249 644883857 /nfs/dbraw/zinc/88/38/57/644883857.db2.gz UCMLAGHNSWWHRQ-GFCCVEGCSA-N 0 0 240.274 2.424 10 0 BEAERN CC(C)(C)[C@@H](O)COc1ccc(F)cc1C=O ZINC000304262251 644884363 /nfs/dbraw/zinc/88/43/63/644884363.db2.gz UCMLAGHNSWWHRQ-LBPRGKRZSA-N 0 0 240.274 2.424 10 0 BEAERN O=C(NCCC1CCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252958927 644927945 /nfs/dbraw/zinc/92/79/45/644927945.db2.gz TYMHHRGVUPZJQH-ZSBIGDGJSA-N 0 0 207.317 2.339 10 0 BEAERN C[C@@H](O)c1ccc(N2CCS[C@H](C)C2)nc1 ZINC000123568193 645760815 /nfs/dbraw/zinc/76/08/15/645760815.db2.gz YMAOANHBWBOPJK-NXEZZACHSA-N 0 0 238.356 2.077 10 0 BEAERN CC(C)COC(=O)c1cnn2c1CCCC2 ZINC000125635491 645781993 /nfs/dbraw/zinc/78/19/93/645781993.db2.gz JGFAYNRFARKHSJ-UHFFFAOYSA-N 0 0 222.288 2.032 10 0 BEAERN CC1(C)OC[C@H](COC(=O)CC2CCCC2)O1 ZINC000132955897 645857010 /nfs/dbraw/zinc/85/70/10/645857010.db2.gz ZKYOYTFWDPXYKH-NSHDSACASA-N 0 0 242.315 2.261 10 0 BEAERN FC(F)(F)CN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723644045 711529474 /nfs/dbraw/zinc/52/94/74/711529474.db2.gz NUSHROBGCGSWEB-OPRDCNLKSA-N 0 0 237.265 2.344 10 0 BEAERN C[C@H]1CCC(=O)CN1CC1CC(C)(C)C1 ZINC000725635272 711667609 /nfs/dbraw/zinc/66/76/09/711667609.db2.gz HZOURFQDSCNIGM-JTQLQIEISA-N 0 0 209.333 2.476 10 0 BEAERN Cc1cnc([C@H](C)NCc2nocc2C)o1 ZINC000720411421 711684121 /nfs/dbraw/zinc/68/41/21/711684121.db2.gz XXJQSPMJWOECLG-VIFPVBQESA-N 0 0 221.260 2.130 10 0 BEAERN O=C(N1CCCCC1)N1CCCSCC1 ZINC000136127098 711687132 /nfs/dbraw/zinc/68/71/32/711687132.db2.gz FTXVBVYHFBQOAA-UHFFFAOYSA-N 0 0 228.361 2.031 10 0 BEAERN COC(C)(C)CCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192108343 711708133 /nfs/dbraw/zinc/70/81/33/711708133.db2.gz WJJYGTYMRRLMRJ-WDEREUQCSA-N 0 0 244.331 2.160 10 0 BEAERN CC[C@@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000179706423 711884785 /nfs/dbraw/zinc/88/47/85/711884785.db2.gz APAQVDZOOOXNMP-KPPDAEKUSA-N 0 0 242.315 2.308 10 0 BEAERN CSC1CC(Nc2nccc(C)n2)C1 ZINC000708263427 712184807 /nfs/dbraw/zinc/18/48/07/712184807.db2.gz VSFWKXCIDFEHJE-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN CCC(C)(C)c1noc(C[C@@H](O)C(C)C)n1 ZINC000710736776 712255543 /nfs/dbraw/zinc/25/55/43/712255543.db2.gz HKYNPICADWDKOI-SECBINFHSA-N 0 0 226.320 2.317 10 0 BEAERN CC(C)OC(=O)N1CC[C@H](c2nccs2)C1 ZINC000710593472 712263788 /nfs/dbraw/zinc/26/37/88/712263788.db2.gz BCWAJLXAGBPMIE-VIFPVBQESA-N 0 0 240.328 2.477 10 0 BEAERN COC1(OC)CC[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000711042461 712275918 /nfs/dbraw/zinc/27/59/18/712275918.db2.gz QSZKMUUYWAKUCO-CMPLNLGQSA-N 0 0 239.315 2.390 10 0 BEAERN CC(C)OC(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000711849737 712335788 /nfs/dbraw/zinc/33/57/88/712335788.db2.gz LLCCDXDRQVJSLV-NWDGAFQWSA-N 0 0 241.331 2.326 10 0 BEAERN C[C@@H](O)C1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000712588111 712434556 /nfs/dbraw/zinc/43/45/56/712434556.db2.gz SJVHXBUUZSBXMH-WZRBSPASSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H](NCC(F)(F)C(F)F)[C@@H]1CCCO1 ZINC000379904086 712622761 /nfs/dbraw/zinc/62/27/61/712622761.db2.gz JKRQZUILYKADKH-BQBZGAKWSA-N 0 0 229.217 2.044 10 0 BEAERN C[C@@H](Nc1nc(Cl)cs1)c1cn(C)nn1 ZINC000720583941 712854733 /nfs/dbraw/zinc/85/47/33/712854733.db2.gz NMEJDCGTLDHHNL-RXMQYKEDSA-N 0 0 243.723 2.098 10 0 BEAERN CCO[C@@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000133061351 710967789 /nfs/dbraw/zinc/96/77/89/710967789.db2.gz UQTIDHXZBAVXGB-GFCCVEGCSA-N 0 0 240.347 2.093 10 0 BEAERN CCn1cc(-c2cccc(C(C)=O)c2)nn1 ZINC000722041931 712902284 /nfs/dbraw/zinc/90/22/84/712902284.db2.gz SJWRZDSDOIJHNX-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN CCC[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000216579925 711448722 /nfs/dbraw/zinc/44/87/22/711448722.db2.gz LEEJRCYQUGSFIN-AGIUHOORSA-N 0 0 233.311 2.385 10 0 BEAERN Cc1cnc(CN[C@H](C)c2cnccn2)c(C)c1 ZINC000724048586 711557886 /nfs/dbraw/zinc/55/78/86/711557886.db2.gz NJGCOKOQNHNIMH-GFCCVEGCSA-N 0 0 242.326 2.339 10 0 BEAERN Cc1cnc(CNCc2ncc(C)cc2C)o1 ZINC000724095681 711560481 /nfs/dbraw/zinc/56/04/81/711560481.db2.gz MGGVVVPGULOBQJ-UHFFFAOYSA-N 0 0 231.299 2.285 10 0 BEAERN CC(C)=CC(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000724280948 711573860 /nfs/dbraw/zinc/57/38/60/711573860.db2.gz GENJMYZLEZGWAP-GHMZBOCLSA-N 0 0 225.332 2.272 10 0 BEAERN CC(C)NC(=S)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000136227773 711646878 /nfs/dbraw/zinc/64/68/78/711646878.db2.gz AFWCTQQFUKOLQZ-VXGBXAGGSA-N 0 0 234.368 2.415 10 0 BEAERN CCCNC(=S)N[C@@H](CC)C(C)C ZINC000136201158 711690309 /nfs/dbraw/zinc/69/03/09/711690309.db2.gz IESMJBXWGFEQBR-VIFPVBQESA-N 0 0 202.367 2.295 10 0 BEAERN C1CC(c2nc3n(n2)[C@@H]2CCC[C@@H]2CN3)C1 ZINC000232572076 711760959 /nfs/dbraw/zinc/76/09/59/711760959.db2.gz ZBENSINPCIKVIE-NXEZZACHSA-N 0 0 218.304 2.312 10 0 BEAERN CC(C)c1nccnc1N1CC[C@@H](C(C)(C)O)C1 ZINC000721781724 711769511 /nfs/dbraw/zinc/76/95/11/711769511.db2.gz CGPQCCICDNYCEK-LLVKDONJSA-N 0 0 249.358 2.197 10 0 BEAERN O=C(Nc1ccc2c(c1)COC2)N1CC2(CC2)C1 ZINC000334694556 711776508 /nfs/dbraw/zinc/77/65/08/711776508.db2.gz ZHGKGWCYLSMAML-UHFFFAOYSA-N 0 0 244.294 2.345 10 0 BEAERN C=CCNC(=S)N1CCc2cc(OC)ccc21 ZINC000058466031 711875324 /nfs/dbraw/zinc/87/53/24/711875324.db2.gz JQFLAQVALHFZIM-UHFFFAOYSA-N 0 0 248.351 2.118 10 0 BEAERN C[C@H](O)c1ccn(Cc2ccc3c(c2)CCC3)n1 ZINC000185469393 711906399 /nfs/dbraw/zinc/90/63/99/711906399.db2.gz ITUBTQVUYRYJQQ-NSHDSACASA-N 0 0 242.322 2.473 10 0 BEAERN CN(CCc1ccccn1)C(=O)N1CCCCC1 ZINC000131417647 711918834 /nfs/dbraw/zinc/91/88/34/711918834.db2.gz WLDXGZMOLGXSMW-UHFFFAOYSA-N 0 0 247.342 2.162 10 0 BEAERN Cc1cccc(CNC(=O)/C=C/c2ccco2)n1 ZINC000134117003 711982297 /nfs/dbraw/zinc/98/22/97/711982297.db2.gz INGFFBUCDYWLDR-BQYQJAHWSA-N 0 0 242.278 2.313 10 0 BEAERN Cc1nc(N)ccc1-c1cn2c(n1)CCCC2 ZINC000706167568 712141507 /nfs/dbraw/zinc/14/15/07/712141507.db2.gz XDSYZKNOSFIOCI-UHFFFAOYSA-N 0 0 228.299 2.172 10 0 BEAERN CC(C)CNC(=S)N1C[C@@H]2CCC[C@H]21 ZINC000706848520 712157016 /nfs/dbraw/zinc/15/70/16/712157016.db2.gz NDTHSYUATLAJCM-VHSXEESVSA-N 0 0 212.362 2.001 10 0 BEAERN CCC[C@H](NC1CC(SC)C1)C(=O)OCC ZINC000707021949 712164188 /nfs/dbraw/zinc/16/41/88/712164188.db2.gz MCAAWFINODPVTF-ILDUYXDCSA-N 0 0 245.388 2.202 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)C1 ZINC000707772391 712177729 /nfs/dbraw/zinc/17/77/29/712177729.db2.gz GLPYVKCOCFFAHH-JWZAGAIZSA-N 0 0 249.354 2.106 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000707804482 712178121 /nfs/dbraw/zinc/17/81/21/712178121.db2.gz DMCKJRRZOXWWPW-JTQLQIEISA-N 0 0 237.324 2.189 10 0 BEAERN CCCCC(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707787218 712178149 /nfs/dbraw/zinc/17/81/49/712178149.db2.gz UDCZAVLTGPTTGP-NSHDSACASA-N 0 0 211.305 2.004 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC000707804141 712178603 /nfs/dbraw/zinc/17/86/03/712178603.db2.gz CHPLVYIUYGOLNB-LBPRGKRZSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000707806037 712179313 /nfs/dbraw/zinc/17/93/13/712179313.db2.gz KSHKCQKWGGFYMP-SYQHCUMBSA-N 0 0 249.354 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC000707831873 712179796 /nfs/dbraw/zinc/17/97/96/712179796.db2.gz FLRVVEPWOIXIMN-ZWNOBZJWSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C)C1 ZINC000707841389 712179859 /nfs/dbraw/zinc/17/98/59/712179859.db2.gz WAMZLUVXDJUUQR-RAIGVLPGSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000707840994 712180042 /nfs/dbraw/zinc/18/00/42/712180042.db2.gz VHWSKUYUPCUHPB-CYBMUJFWSA-N 0 0 237.343 2.394 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000707862098 712180423 /nfs/dbraw/zinc/18/04/23/712180423.db2.gz SKZJOXRWHJECKI-SYTKJHMZSA-N 0 0 247.294 2.120 10 0 BEAERN CSC1CC(Nc2ccc(C)nn2)C1 ZINC000708262165 712184699 /nfs/dbraw/zinc/18/46/99/712184699.db2.gz SDDVYIFCOSKXLU-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN Cc1conc1CN[C@H]1CCc2c1cccc2O ZINC000708315315 712186144 /nfs/dbraw/zinc/18/61/44/712186144.db2.gz NWKSXCPBIWEYSR-LBPRGKRZSA-N 0 0 244.294 2.466 10 0 BEAERN CC[C@H](CC(=O)N[C@H](C)[C@H](C)O)C(C)(C)C ZINC000711141889 712286306 /nfs/dbraw/zinc/28/63/06/712286306.db2.gz LJNSTPLWHBIEOD-OUAUKWLOSA-N 0 0 229.364 2.334 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nccn2C2CC2)o1 ZINC000711739027 712321288 /nfs/dbraw/zinc/32/12/88/712321288.db2.gz PDNDYSFUVBLBQN-SNVBAGLBSA-N 0 0 246.314 2.365 10 0 BEAERN COc1cnc(-c2ccc(C=O)s2)cn1 ZINC000702194223 712356540 /nfs/dbraw/zinc/35/65/40/712356540.db2.gz LHUPVWSAVQXJCW-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)[C@@H]1C[C@@H]1C ZINC000712939075 712450290 /nfs/dbraw/zinc/45/02/90/712450290.db2.gz WZWQUEYFKVOCRR-CUEABSMRSA-N 0 0 237.343 2.264 10 0 BEAERN COCC1CC(Nc2ncnc3c2CCCC3)C1 ZINC000713942966 712474061 /nfs/dbraw/zinc/47/40/61/712474061.db2.gz HGEQSZNRVNPVNJ-UHFFFAOYSA-N 0 0 247.342 2.192 10 0 BEAERN COC1CC(CNc2cccc(CO)c2)C1 ZINC000714567109 712494804 /nfs/dbraw/zinc/49/48/04/712494804.db2.gz UWPBYFWJRVFYQC-UHFFFAOYSA-N 0 0 221.300 2.016 10 0 BEAERN Cc1cc([C@H](C)N[C@@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885436 712539837 /nfs/dbraw/zinc/53/98/37/712539837.db2.gz SDWKILIAIBIXAN-UWVGGRQHSA-N 0 0 248.330 2.437 10 0 BEAERN CC(C)OC(=O)NCC[C@@H]1CCCS1 ZINC000716023423 712546735 /nfs/dbraw/zinc/54/67/35/712546735.db2.gz VUPONDVJBSSMKU-VIFPVBQESA-N 0 0 217.334 2.407 10 0 BEAERN Nc1ccc(S[C@H]2CCOC2=O)c(Cl)c1 ZINC000037205009 712553287 /nfs/dbraw/zinc/55/32/87/712553287.db2.gz RLJFSCZDCRUNCN-VIFPVBQESA-N 0 0 243.715 2.330 10 0 BEAERN COC(=O)CCCNc1nc(Cl)cs1 ZINC000716463493 712562747 /nfs/dbraw/zinc/56/27/47/712562747.db2.gz DEWURQAQBXKQFP-UHFFFAOYSA-N 0 0 234.708 2.162 10 0 BEAERN COC1CC(Nc2ccc([N+](=O)[O-])s2)C1 ZINC000379929201 712631525 /nfs/dbraw/zinc/63/15/25/712631525.db2.gz NHZAXKWARXWOCW-UHFFFAOYSA-N 0 0 228.273 2.246 10 0 BEAERN O=C(c1cscc1C(F)F)N1CC=CCN1 ZINC000717243463 712641445 /nfs/dbraw/zinc/64/14/45/712641445.db2.gz MCPIIWIDWIBKKY-UHFFFAOYSA-N 0 0 244.266 2.202 10 0 BEAERN CC(C)OC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000717367631 712652562 /nfs/dbraw/zinc/65/25/62/712652562.db2.gz ASPINWWJACLUSD-JTQLQIEISA-N 0 0 229.320 2.326 10 0 BEAERN CCOC(=O)/C=C(\C)NCc1ccc(OC)cc1 ZINC000950757471 712726379 /nfs/dbraw/zinc/72/63/79/712726379.db2.gz IBNXSFPADAFXKP-PKNBQFBNSA-N 0 0 249.310 2.252 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2cc(C)co2)C1 ZINC000718502156 712767788 /nfs/dbraw/zinc/76/77/88/712767788.db2.gz SMBSDISZUFUIQU-NSHDSACASA-N 0 0 235.283 2.029 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccnc2ncccc12 ZINC000718933315 712788584 /nfs/dbraw/zinc/78/85/84/712788584.db2.gz PLCKCCAPUHLMQW-KOLCDFICSA-N 0 0 229.283 2.219 10 0 BEAERN O=C(NCC1CC(O)C1)[C@@H]1CCC=CCCC1 ZINC000719112612 712798131 /nfs/dbraw/zinc/79/81/31/712798131.db2.gz YAZQTRVEOWUTTG-OTTFEQOBSA-N 0 0 237.343 2.010 10 0 BEAERN CC1CC(C(=O)N2CCC[C@@H](C(C)(C)O)C2)C1 ZINC000719707136 712823091 /nfs/dbraw/zinc/82/30/91/712823091.db2.gz PHFNMUWUPOELHC-HTAVTVPLSA-N 0 0 239.359 2.042 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nocc2C)o1 ZINC000720411417 712840590 /nfs/dbraw/zinc/84/05/90/712840590.db2.gz XXJQSPMJWOECLG-SECBINFHSA-N 0 0 221.260 2.130 10 0 BEAERN Cc1ccc(C)c(CN[C@@H](C)c2cn(C)nn2)c1 ZINC000720595770 712856350 /nfs/dbraw/zinc/85/63/50/712856350.db2.gz NFMIKZOSLMCXSL-LBPRGKRZSA-N 0 0 244.342 2.283 10 0 BEAERN CC/C=C(/C)C(=O)O[C@H](C)COCC ZINC000588586903 959411220 /nfs/dbraw/zinc/41/12/20/959411220.db2.gz BLMOTHVXWAFETG-UJICNMFASA-N 0 0 200.278 2.311 10 0 BEAERN COc1ccccc1Oc1ncc(C=O)cn1 ZINC000126374655 1166361970 /nfs/dbraw/zinc/36/19/70/1166361970.db2.gz HGGJQYFPJRBDGT-UHFFFAOYSA-N 0 0 230.223 2.090 10 0 BEAERN CC1CCN(C(=O)c2cc(F)ccc2N)CC1 ZINC000036882789 1166557517 /nfs/dbraw/zinc/55/75/17/1166557517.db2.gz WDXXHTRSINYIAN-UHFFFAOYSA-N 0 0 236.290 2.280 10 0 BEAERN CC[C@@H](C)C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC000694004024 976662573 /nfs/dbraw/zinc/66/25/73/976662573.db2.gz JPYRMTDAFCTRPH-SECBINFHSA-N 0 0 201.310 2.218 10 0 BEAERN C/C(=C/C[N@@H+]1C[C@@H]2CCCC[C@@]21C)C(=O)[O-] ZINC000706033451 977306552 /nfs/dbraw/zinc/30/65/52/977306552.db2.gz NVVPGPOGVFRUCX-GVCSVAHDSA-N 0 0 223.316 2.282 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CC[C@H]1CC=CCC1)C1CC1 ZINC000706884626 977366537 /nfs/dbraw/zinc/36/65/37/977366537.db2.gz XUEXMSMMDXSPIQ-JQWIXIFHSA-N 0 0 223.316 2.186 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708821165 977444336 /nfs/dbraw/zinc/44/43/36/977444336.db2.gz DEHYNMNPXUDTLA-VXGBXAGGSA-N 0 0 225.332 2.362 10 0 BEAERN COC(=O)c1c(C)onc1-c1cccs1 ZINC000057515614 1169152229 /nfs/dbraw/zinc/15/22/29/1169152229.db2.gz HULXBISUIRCDTH-UHFFFAOYSA-N 0 0 223.253 2.498 10 0 BEAERN C/C=C/C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000106072700 971569666 /nfs/dbraw/zinc/56/96/66/971569666.db2.gz VOCYWHHEFWDCFC-CDAZIORVSA-N 0 0 233.267 2.169 10 0 BEAERN Cc1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c(F)c1 ZINC000686308000 954609634 /nfs/dbraw/zinc/60/96/34/954609634.db2.gz ARSAEQWZKOCDFL-JTQLQIEISA-N 0 0 239.290 2.287 10 0 BEAERN CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)[O-])CO1 ZINC000688534452 954626310 /nfs/dbraw/zinc/62/63/10/954626310.db2.gz DVHWLLYZAIJQMJ-NWDGAFQWSA-N 0 0 249.310 2.042 10 0 BEAERN C[C@@H]1CC[C@@H]([NH2+]CCCCC(=O)[O-])CS1 ZINC000689527652 954661166 /nfs/dbraw/zinc/66/11/66/954661166.db2.gz UOIJCPFSRFVLJJ-NXEZZACHSA-N 0 0 231.361 2.115 10 0 BEAERN C[C@@H]1CC[C@H]([NH2+]CCCCC(=O)[O-])CS1 ZINC000689527658 954661265 /nfs/dbraw/zinc/66/12/65/954661265.db2.gz UOIJCPFSRFVLJJ-ZJUUUORDSA-N 0 0 231.361 2.115 10 0 BEAERN CC(C)(C)C[N@H+](CCCCF)CC(=O)[O-] ZINC000692599305 954701838 /nfs/dbraw/zinc/70/18/38/954701838.db2.gz IGXKRUNDNWNRGL-UHFFFAOYSA-N 0 0 219.300 2.169 10 0 BEAERN C[C@@H](C[NH2+][C@H]1CCC12CCCC2)C(=O)[O-] ZINC000694397554 954774793 /nfs/dbraw/zinc/77/47/93/954774793.db2.gz QCVLFWGDDOVSCK-UWVGGRQHSA-N 0 0 211.305 2.020 10 0 BEAERN O=C([O-])CCCC[NH2+]C1(C2CCC2)CC1 ZINC000697401633 954825760 /nfs/dbraw/zinc/82/57/60/954825760.db2.gz ZSBUQOGAUZKOJW-UHFFFAOYSA-N 0 0 211.305 2.164 10 0 BEAERN O=C([O-])CCCC[NH2+]Cc1ccncc1Cl ZINC000704378429 954925188 /nfs/dbraw/zinc/92/51/88/954925188.db2.gz LMLBLWWZNZKIAN-UHFFFAOYSA-N 0 0 242.706 2.080 10 0 BEAERN CO[C@H]1CCC[C@@H]([NH2+]CCCCC(=O)[O-])CC1 ZINC000718375737 955157711 /nfs/dbraw/zinc/15/77/11/955157711.db2.gz VRRXHMJOTSBARC-NEPJUHHUSA-N 0 0 243.347 2.179 10 0 BEAERN CC/C=C(/C)C(=O)N1CCOc2nc(C)ccc21 ZINC000588383153 958072377 /nfs/dbraw/zinc/07/23/77/958072377.db2.gz PVFSKLLPGRCNKJ-YHYXMXQVSA-N 0 0 246.310 2.472 10 0 BEAERN CCC[C@@H](C)OC(=O)/C=C\c1ccncn1 ZINC000588443750 958532190 /nfs/dbraw/zinc/53/21/90/958532190.db2.gz DCSVZVYSDZIJAG-WWQCOOJYSA-N 0 0 220.272 2.222 10 0 BEAERN C=COCCOC(=O)/C=C\c1cccs1 ZINC000588448019 958558941 /nfs/dbraw/zinc/55/89/41/958558941.db2.gz OHDITTKQJHLUDO-WAYWQWQTSA-N 0 0 224.281 2.465 10 0 BEAERN C=COCCOC(=O)/C=C\c1cncc(C)c1 ZINC000588448005 958562797 /nfs/dbraw/zinc/56/27/97/958562797.db2.gz FQWUTRUXXJNOOC-PLNGDYQASA-N 0 0 233.267 2.107 10 0 BEAERN O=C(/C=C\c1ccncn1)OCc1ccsc1 ZINC000588468208 958694149 /nfs/dbraw/zinc/69/41/49/958694149.db2.gz CBKXLAJPDZCKBF-UPHRSURJSA-N 0 0 246.291 2.295 10 0 BEAERN O=C(/C=C\c1ccncn1)OCc1cccs1 ZINC000588468266 958697319 /nfs/dbraw/zinc/69/73/19/958697319.db2.gz RDZGTORIKKGEMD-ARJAWSKDSA-N 0 0 246.291 2.295 10 0 BEAERN C[C@@H]1OCC[C@@H]1OC(=O)/C=C\c1ccccc1 ZINC000588492497 958820193 /nfs/dbraw/zinc/82/01/93/958820193.db2.gz LTWNOKPPSFPGPN-BYOMZUQQSA-N 0 0 232.279 2.420 10 0 BEAERN COC(=O)C[C@@H](C)OC(=O)/C(C)=C\C(C)(C)C ZINC000588509747 958875070 /nfs/dbraw/zinc/87/50/70/958875070.db2.gz PMRSNSKBENINSK-HSTULFTRSA-N 0 0 242.315 2.474 10 0 BEAERN C/C=C(\CC)C(=O)O[C@@H](C)Cn1cccn1 ZINC000588569946 959259891 /nfs/dbraw/zinc/25/98/91/959259891.db2.gz KXWCFAGSZSVVBR-KRPLZJQNSA-N 0 0 222.288 2.171 10 0 BEAERN CCn1cc(OC(=O)/C=C(/C)C2CC2)cn1 ZINC000588588354 959467867 /nfs/dbraw/zinc/46/78/67/959467867.db2.gz FFBRGOIEHSWCLL-TWGQIWQCSA-N 0 0 220.272 2.165 10 0 BEAERN Cc1cnn(CCC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112250474 960860671 /nfs/dbraw/zinc/86/06/71/960860671.db2.gz CVAUBKRAPASUFX-LLVKDONJSA-N 0 0 237.347 2.132 10 0 BEAERN c1nnc(NCc2nc3c(s2)CCC3)s1 ZINC000134422660 962780248 /nfs/dbraw/zinc/78/02/48/962780248.db2.gz YRMHDPKSIOLHMG-UHFFFAOYSA-N 0 0 238.341 2.095 10 0 BEAERN Nc1cccnc1-c1nc(-c2ccsc2)no1 ZINC000132892979 967737949 /nfs/dbraw/zinc/73/79/49/967737949.db2.gz KDJKNJASULFGOM-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN C[C@@H](SCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695277231 968958198 /nfs/dbraw/zinc/95/81/98/968958198.db2.gz XRBAPWDAKAXSQZ-SNVBAGLBSA-N 0 0 231.361 2.069 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706339653 969015019 /nfs/dbraw/zinc/01/50/19/969015019.db2.gz AMWLEBFOFGMBDL-IUCAKERBSA-N 0 0 235.274 2.073 10 0 BEAERN Cc1coc(C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000718053332 969098007 /nfs/dbraw/zinc/09/80/07/969098007.db2.gz PWUGNAYRLJPWRR-LBPRGKRZSA-N 0 0 223.272 2.027 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+]Cc1ccnc2ccccc12 ZINC000719621218 969106446 /nfs/dbraw/zinc/10/64/46/969106446.db2.gz PGTLKSHWKRISRZ-SNVBAGLBSA-N 0 0 244.294 2.188 10 0 BEAERN CC(C)C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000724236474 969125251 /nfs/dbraw/zinc/12/52/51/969125251.db2.gz CHGQYVYWCIEAIM-NOOOWODRSA-N 0 0 243.347 2.031 10 0 BEAERN CC(C)C1(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1 ZINC000687538864 976145559 /nfs/dbraw/zinc/14/55/59/976145559.db2.gz YTXSWGNTJPJMTE-AAEUAGOBSA-N 0 0 239.359 2.465 10 0 BEAERN O=C([O-])CC1(C[N@@H+]2CCC23CCCC3)CC1 ZINC000688001404 976159910 /nfs/dbraw/zinc/15/99/10/976159910.db2.gz ZQIMBCMOZSJPRC-UHFFFAOYSA-N 0 0 223.316 2.260 10 0 BEAERN CO[C@H](C)C[N@H+](CCC(C)(C)C(=O)[O-])C(C)C ZINC000688113391 976169487 /nfs/dbraw/zinc/16/94/87/976169487.db2.gz CUOACUPWRDSLRZ-LLVKDONJSA-N 0 0 245.363 2.233 10 0 BEAERN O=C([O-])[C@H]([NH2+]CCCC1CCC1)C1CC1 ZINC000688392505 976176318 /nfs/dbraw/zinc/17/63/18/976176318.db2.gz QSXQBKDHDFVQPB-LLVKDONJSA-N 0 0 211.305 2.020 10 0 BEAERN C[NH+](C)CCSCc1csc(C(=O)[O-])c1 ZINC000689170391 976237784 /nfs/dbraw/zinc/23/77/84/976237784.db2.gz DQVHLIVGDGZZEL-UHFFFAOYSA-N 0 0 245.369 2.241 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000689346870 976251118 /nfs/dbraw/zinc/25/11/18/976251118.db2.gz OQNMQGLKDXZFEQ-WCBMZHEXSA-N 0 0 235.274 2.265 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689377169 976253022 /nfs/dbraw/zinc/25/30/22/976253022.db2.gz QROIQZOHWOCWHW-HUYFXPKMSA-N 0 0 229.295 2.089 10 0 BEAERN C[C@@H]1CCC[C@H]([N@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628039 976378702 /nfs/dbraw/zinc/37/87/02/976378702.db2.gz LAFNUKPNKPQDAX-MNOVXSKESA-N 0 0 225.332 2.362 10 0 BEAERN C[N@H+](CC1CC(F)(F)C1)C(C)(C)CC(=O)[O-] ZINC000694074545 976666358 /nfs/dbraw/zinc/66/63/58/976666358.db2.gz ITFQFPNFQYGBMY-UHFFFAOYSA-N 0 0 235.274 2.217 10 0 BEAERN CC(C)[C@@H]1CCC[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000694571818 976701145 /nfs/dbraw/zinc/70/11/45/976701145.db2.gz UJSPMCMKAQVFKA-LLVKDONJSA-N 0 0 225.332 2.219 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CC2)C1 ZINC000695084134 976776216 /nfs/dbraw/zinc/77/62/16/976776216.db2.gz RMAXJRGKNXMCMZ-NWDGAFQWSA-N 0 0 225.332 2.218 10 0 BEAERN Cc1[nH]c(C[NH2+][C@@]2(C)CC2(C)C)cc1C(=O)[O-] ZINC000702028923 977059538 /nfs/dbraw/zinc/05/95/38/977059538.db2.gz IXKOCILPJRNRGR-ZDUSSCGKSA-N 0 0 236.315 2.300 10 0 BEAERN CC1(C)C[C@]1(C)[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000702022890 977059730 /nfs/dbraw/zinc/05/97/30/977059730.db2.gz MRXSIHJZDBGCPF-NSHDSACASA-N 0 0 240.328 2.120 10 0 BEAERN C[N@H+](Cc1cncc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000702657851 977100423 /nfs/dbraw/zinc/10/04/23/977100423.db2.gz WLUFMRWULCOTTM-UHFFFAOYSA-N 0 0 242.706 2.030 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CCc1cccc(F)c1 ZINC000703256979 977160072 /nfs/dbraw/zinc/16/00/72/977160072.db2.gz MPYCTZDPHVKHPU-UHFFFAOYSA-N 0 0 239.290 2.211 10 0 BEAERN O=C([O-])c1ccoc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706324845 977312618 /nfs/dbraw/zinc/31/26/18/977312618.db2.gz IXKVBARZYNTGDK-ZETCQYMHSA-N 0 0 245.225 2.065 10 0 BEAERN O=C([O-])c1occc1C[NH+]1CCC2(CC2)CC1 ZINC000706392247 977313730 /nfs/dbraw/zinc/31/37/30/977313730.db2.gz MURPRTFFBISDDX-UHFFFAOYSA-N 0 0 235.283 2.354 10 0 BEAERN C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])C1(C)CC1 ZINC000706509105 977346348 /nfs/dbraw/zinc/34/63/48/977346348.db2.gz XDWTWFASNPQIDP-SECBINFHSA-N 0 0 213.321 2.266 10 0 BEAERN C[C@@H]([NH2+]Cc1nc(C(=O)[O-])cs1)C1(C)CC1 ZINC000706599398 977355747 /nfs/dbraw/zinc/35/57/47/977355747.db2.gz QEGJVOHXSBEBQD-SSDOTTSWSA-N 0 0 240.328 2.120 10 0 BEAERN C[C@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])[C@H]1C ZINC000706744915 977360357 /nfs/dbraw/zinc/36/03/57/977360357.db2.gz UOBZVYHGLDLNCQ-QWRGUYRKSA-N 0 0 249.310 2.104 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000706745627 977360584 /nfs/dbraw/zinc/36/05/84/977360584.db2.gz XRPACLRSOQPPJJ-DTWKUNHWSA-N 0 0 237.274 2.364 10 0 BEAERN O=C([O-])c1occc1C[N@@H+]1CCC12CCCC2 ZINC000707307891 977383072 /nfs/dbraw/zinc/38/30/72/977383072.db2.gz UKSLSWWPGCKUHK-UHFFFAOYSA-N 0 0 235.283 2.496 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CCC23CCCC3)nc1 ZINC000707352782 977388044 /nfs/dbraw/zinc/38/80/44/977388044.db2.gz RZWUNKCTNKDZMC-UHFFFAOYSA-N 0 0 246.310 2.298 10 0 BEAERN CC[C@](C)([NH2+]Cc1sc(C)nc1C)C(=O)[O-] ZINC000707924101 977404214 /nfs/dbraw/zinc/40/42/14/977404214.db2.gz KPDCDLOXEZHRGH-NSHDSACASA-N 0 0 242.344 2.103 10 0 BEAERN C[C@H]([NH2+]CCC(=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000709124346 977453490 /nfs/dbraw/zinc/45/34/90/977453490.db2.gz NDZBGJFVBWBXMN-JBLDHEPKSA-N 0 0 211.305 2.020 10 0 BEAERN CC(C)=CCC[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710230344 977496415 /nfs/dbraw/zinc/49/64/15/977496415.db2.gz TZKLCOGYHXWZCZ-AAEUAGOBSA-N 0 0 225.332 2.385 10 0 BEAERN CCC(C)(C)CC[NH2+][C@](CC)(COC)C(=O)[O-] ZINC000711294759 977533926 /nfs/dbraw/zinc/53/39/26/977533926.db2.gz JFKREAQEUFYUIV-CYBMUJFWSA-N 0 0 245.363 2.282 10 0 BEAERN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])cs2)[C@@H]1C ZINC000711424374 977546107 /nfs/dbraw/zinc/54/61/07/977546107.db2.gz XTNQKSWBDDPEPU-HTQZYQBOSA-N 0 0 225.313 2.287 10 0 BEAERN CC(C)(C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC000712381233 977581853 /nfs/dbraw/zinc/58/18/53/977581853.db2.gz ABYFOXFHUGFUGV-GARJFASQSA-N 0 0 225.332 2.266 10 0 BEAERN C=C/C=C\CC[NH2+][C@H](CCCC)C(=O)[O-] ZINC000713456467 977636618 /nfs/dbraw/zinc/63/66/18/977636618.db2.gz TWDWEZHAMVWFSN-JPVGGKMYSA-N 0 0 211.305 2.352 10 0 BEAERN CCC[NH+](CCC)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000714815590 977680506 /nfs/dbraw/zinc/68/05/06/977680506.db2.gz ZVGZAKYUHHYSAG-IUCAKERBSA-N 0 0 235.274 2.074 10 0 BEAERN CCC1(C[NH2+]C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CCC1 ZINC000715243822 977703205 /nfs/dbraw/zinc/70/32/05/977703205.db2.gz FJUSCMQOMCQVEA-RKDXNWHRSA-N 0 0 247.285 2.122 10 0 BEAERN CC1(C)CC[C@H]([NH2+]C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC000715248577 977706387 /nfs/dbraw/zinc/70/63/87/977706387.db2.gz MZPPVODBBFUSSN-DJLDLDEBSA-N 0 0 247.285 2.121 10 0 BEAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000716459636 977840001 /nfs/dbraw/zinc/84/00/01/977840001.db2.gz FKRQCODDTFCDEY-QTKMDUPCSA-N 0 0 249.310 2.360 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000718058844 977937813 /nfs/dbraw/zinc/93/78/13/977937813.db2.gz QFIYGXRWWMAZLD-DRZSPHRISA-N 0 0 249.310 2.273 10 0 BEAERN C/C(=C\C[N@@H+](C)C1(C)CCCC1)C(=O)[O-] ZINC000720330886 978028300 /nfs/dbraw/zinc/02/83/00/978028300.db2.gz JKDRDRLUIXHVHH-UXBLZVDNSA-N 0 0 211.305 2.282 10 0 BEAERN C/C(=C/C[N@@H+](C)C1(C)CCCC1)C(=O)[O-] ZINC000720330576 978028461 /nfs/dbraw/zinc/02/84/61/978028461.db2.gz JKDRDRLUIXHVHH-POHAHGRESA-N 0 0 211.305 2.282 10 0 BEAERN C=CC(=O)N[C@@H](C)c1ccccc1OC ZINC000036334406 1170910559 /nfs/dbraw/zinc/91/05/59/1170910559.db2.gz PVNMEYOQUZDFAU-VIFPVBQESA-N 0 0 205.257 2.058 10 0 BEAERN C=CC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000037002420 1170927688 /nfs/dbraw/zinc/92/76/88/1170927688.db2.gz OCHASYACJUPBOJ-VIFPVBQESA-N 0 0 235.283 2.067 10 0 BEAERN Nc1ccc(F)cc1C(=O)NC[C@H]1CC=CCC1 ZINC000045628594 1171452074 /nfs/dbraw/zinc/45/20/74/1171452074.db2.gz XIRVSJLOVOSUJZ-JTQLQIEISA-N 0 0 248.301 2.494 10 0 BEAERN CCCC1CCN(C(=O)c2cc(N)ccn2)CC1 ZINC000050907348 1171851552 /nfs/dbraw/zinc/85/15/52/1171851552.db2.gz QHNVBYJBMFSROK-UHFFFAOYSA-N 0 0 247.342 2.316 10 0 BEAERN Cc1cccc2c1N[C@H](C1CCC1)[C@@H](O)C2 ZINC000685963664 538910652 /nfs/dbraw/zinc/91/06/52/538910652.db2.gz VLBUDJHRNCHKBG-GXTWGEPZSA-N 0 0 217.312 2.493 10 0 BEAERN NC(=O)c1ccc(/C=C/Br)cc1 ZINC000685963707 538910462 /nfs/dbraw/zinc/91/04/62/538910462.db2.gz CQFRXFQUIQPCJX-AATRIKPKSA-N 0 0 226.073 2.151 10 0 BEAERN CCOC(=O)C(F)(F)c1cccs1 ZINC000038974342 136208922 /nfs/dbraw/zinc/20/89/22/136208922.db2.gz CSDXDWRLRVJHKF-UHFFFAOYSA-N 0 0 206.213 2.403 10 0 BEAERN CNCC(F)(F)CO[C@H](C)C1CCC1 ZINC000685956855 538901395 /nfs/dbraw/zinc/90/13/95/538901395.db2.gz LOGQGLRGGQIUDM-MRVPVSSYSA-N 0 0 207.264 2.046 10 0 BEAERN O=Cc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956004 538901610 /nfs/dbraw/zinc/90/16/10/538901610.db2.gz IGDFEIJOJWMPJS-UHFFFAOYSA-N 0 0 225.462 2.116 10 0 BEAERN CC[C@@H](OCC(F)(F)C[NH3+])C1CCC1 ZINC000685955911 538901704 /nfs/dbraw/zinc/90/17/04/538901704.db2.gz SSBLIRZQMKRGBB-SECBINFHSA-N 0 0 207.264 2.176 10 0 BEAERN CCc1cc(N)nc(C(Cl)(Cl)Cl)n1 ZINC000685955990 538901736 /nfs/dbraw/zinc/90/17/36/538901736.db2.gz HRGYVNVUOPUHRG-UHFFFAOYSA-N 0 0 240.521 2.448 10 0 BEAERN CNCC(F)(F)COCc1cccs1 ZINC000685957193 538904500 /nfs/dbraw/zinc/90/45/00/538904500.db2.gz UIJSKXMRCOLSIJ-UHFFFAOYSA-N 0 0 221.272 2.119 10 0 BEAERN CCNCC(F)(F)COC(CC)CC ZINC000685957733 538904934 /nfs/dbraw/zinc/90/49/34/538904934.db2.gz ZLIQZNOQMXVYJS-UHFFFAOYSA-N 0 0 209.280 2.436 10 0 BEAERN C[C@@H]1C(=O)NC2(CCCCC2)[C@H]1C1CC1 ZINC000685958371 538905808 /nfs/dbraw/zinc/90/58/08/538905808.db2.gz MQDRICIMGKDYMZ-GXSJLCMTSA-N 0 0 207.317 2.481 10 0 BEAERN CO[C@@H](C)[C@@]1(C)CC(=O)NC12CCCCC2 ZINC000685958574 538905918 /nfs/dbraw/zinc/90/59/18/538905918.db2.gz AGCDHQJWKHZYNX-CMPLNLGQSA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@@]1(COC)CC(=O)NC12CCCCC2 ZINC000685958942 538906432 /nfs/dbraw/zinc/90/64/32/538906432.db2.gz ILSZYIASCINPPD-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN O=C1CC2(CCCCC2)C2(CCOCC2)N1 ZINC000685958659 538906475 /nfs/dbraw/zinc/90/64/75/538906475.db2.gz CXTWOXWQQYPPLN-UHFFFAOYSA-N 0 0 223.316 2.006 10 0 BEAERN CCOC[C@]1(C)CC(=O)NC12CCCCC2 ZINC000685959599 538906960 /nfs/dbraw/zinc/90/69/60/538906960.db2.gz QDDYPIMJGQYZIZ-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN Cc1nc(C(Cl)(Cl)Cl)ncc1N ZINC000685959865 538907142 /nfs/dbraw/zinc/90/71/42/538907142.db2.gz TZTLBPIGSWPKHA-UHFFFAOYSA-N 0 0 226.494 2.194 10 0 BEAERN CCCC[C@]1(C)CC(=O)NC12CCOCC2 ZINC000685960079 538907274 /nfs/dbraw/zinc/90/72/74/538907274.db2.gz YYTFOOLCZAMMQF-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN CCC(C)(CC)NC(=O)c1cscn1 ZINC000112827694 168311558 /nfs/dbraw/zinc/31/15/58/168311558.db2.gz NWOJONMWBKGTAO-UHFFFAOYSA-N 0 0 212.318 2.452 10 0 BEAERN CC(=O)[C@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000685961809 538908566 /nfs/dbraw/zinc/90/85/66/538908566.db2.gz OLLWYUZVZVRNGN-WDEREUQCSA-N 0 0 239.315 2.435 10 0 BEAERN CCC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1 ZINC000685962471 538909079 /nfs/dbraw/zinc/90/90/79/538909079.db2.gz JJSWLCPYTFXRGL-UHFFFAOYSA-N 0 0 227.304 2.365 10 0 BEAERN CCC[C@H]1Nc2c(C)cccc2C[C@H]1O ZINC000685962952 538909642 /nfs/dbraw/zinc/90/96/42/538909642.db2.gz BJPYHBQNKYSLFZ-VXGBXAGGSA-N 0 0 205.301 2.493 10 0 BEAERN CC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685962885 538909691 /nfs/dbraw/zinc/90/96/91/538909691.db2.gz YPQNRSNEVYNHOE-KOLCDFICSA-N 0 0 241.331 2.469 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccccc2C[C@H]1O ZINC000685963004 538909696 /nfs/dbraw/zinc/90/96/96/538909696.db2.gz CZBBQHOHSNEHJK-BIMULSAOSA-N 0 0 205.301 2.430 10 0 BEAERN CC[C@H]1Nc2ccc(OC)cc2C[C@]1(C)O ZINC000685963291 538909763 /nfs/dbraw/zinc/90/97/63/538909763.db2.gz LIDPGLXEHGJWHE-OLZOCXBDSA-N 0 0 221.300 2.193 10 0 BEAERN CCC[C@@H]1Nc2ccc(OC)cc2C[C@H]1O ZINC000685963470 538910273 /nfs/dbraw/zinc/91/02/73/538910273.db2.gz PBIRPYWPWCICBL-QWHCGFSZSA-N 0 0 221.300 2.193 10 0 BEAERN CC1(C)CCc2nn(C3CC3)c(N)c2C1 ZINC000685952396 538896351 /nfs/dbraw/zinc/89/63/51/538896351.db2.gz JIFGFQHIPQYROF-UHFFFAOYSA-N 0 0 205.305 2.315 10 0 BEAERN CCC[C@H]1Nc2c(cccc2OC)C[C@@H]1O ZINC000685963911 538910773 /nfs/dbraw/zinc/91/07/73/538910773.db2.gz ZJVPXHSSSNFSSW-MNOVXSKESA-N 0 0 221.300 2.193 10 0 BEAERN Cc1ccc(Cn2cnc(N)c2)c(Cl)c1 ZINC000685964298 538911072 /nfs/dbraw/zinc/91/10/72/538911072.db2.gz OPGKNBMRPFMFFV-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CCC(CC)Cn1cc([O-])c([C@H](C)[NH3+])n1 ZINC000685965467 538911913 /nfs/dbraw/zinc/91/19/13/538911913.db2.gz FVZZGRDEIRASCL-QMMMGPOBSA-N 0 0 211.309 2.045 10 0 BEAERN CCC(CC)Cn1cc([O-])c([C@@H](C)[NH3+])n1 ZINC000685965466 538911983 /nfs/dbraw/zinc/91/19/83/538911983.db2.gz FVZZGRDEIRASCL-MRVPVSSYSA-N 0 0 211.309 2.045 10 0 BEAERN Cc1cccc2c1N[C@H](CC1CC1)[C@H](O)C2 ZINC000685963391 538912783 /nfs/dbraw/zinc/91/27/83/538912783.db2.gz NHDRQSBMRGICAS-CHWSQXEVSA-N 0 0 217.312 2.493 10 0 BEAERN Clc1ccc(NC2CCOCC2)nc1 ZINC000036320002 343978462 /nfs/dbraw/zinc/97/84/62/343978462.db2.gz XULNJBHNDBMLRX-UHFFFAOYSA-N 0 0 212.680 2.326 10 0 BEAERN CC(C)C(=O)NC/C=C/c1ccccc1 ZINC000112584983 398145643 /nfs/dbraw/zinc/14/56/43/398145643.db2.gz WCCAFSXXSMZZDH-RMKNXTFCSA-N 0 0 203.285 2.472 10 0 BEAERN C=CC(=O)Nc1ncc(Br)s1 ZINC000036334951 343978925 /nfs/dbraw/zinc/97/89/25/343978925.db2.gz RNPLTGXROKFXMQ-UHFFFAOYSA-N 0 0 233.090 2.030 10 0 BEAERN Cc1ccc([C@H](C)n2cc(N)cn2)cc1 ZINC000616588738 349501759 /nfs/dbraw/zinc/50/17/59/349501759.db2.gz FGZAVWLRYFNERF-JTQLQIEISA-N 0 0 201.273 2.383 10 0 BEAERN Cc1cc(CN2[C@@H]3CCC[C@H]2CC(=O)C3)on1 ZINC000054601150 178010106 /nfs/dbraw/zinc/01/01/06/178010106.db2.gz HGLSLRWCIDNCCM-PHIMTYICSA-N 0 0 234.299 2.069 10 0 BEAERN O=c1[nH]ccc2cc(Br)sc21 ZINC000071482389 398154017 /nfs/dbraw/zinc/15/40/17/398154017.db2.gz QBRRKBBDPKCJFZ-UHFFFAOYSA-N 0 0 230.086 2.352 10 0 BEAERN C/C=C/CC(C)(C(=O)OCC)C(=O)OCC ZINC000036421227 398170147 /nfs/dbraw/zinc/17/01/47/398170147.db2.gz IQNYGXDWDROBQI-VMPITWQZSA-N 0 0 228.288 2.085 10 0 BEAERN CCC(CC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116118126 168336483 /nfs/dbraw/zinc/33/64/83/168336483.db2.gz CHCXAWVBAOQIGC-LBPRGKRZSA-N 0 0 249.358 2.172 10 0 BEAERN Cc1cc(CNc2cc(C)nc(Cl)n2)on1 ZINC000052814914 178041670 /nfs/dbraw/zinc/04/16/70/178041670.db2.gz QDPFHCNCYZQHLK-UHFFFAOYSA-N 0 0 238.678 2.347 10 0 BEAERN Cc1cc(CNc2ccc(N)cc2F)on1 ZINC000044988222 178043552 /nfs/dbraw/zinc/04/35/52/178043552.db2.gz BRTPPBVBXJHGNM-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2cnn(C)c2)cc(C)c1O ZINC000035737463 178044520 /nfs/dbraw/zinc/04/45/20/178044520.db2.gz LBSARGWRQSADJJ-UHFFFAOYSA-N 0 0 231.299 2.355 10 0 BEAERN Cc1cc(Cc2nc3ccccc3[nH]2)n[nH]1 ZINC000196551924 178058893 /nfs/dbraw/zinc/05/88/93/178058893.db2.gz ZYNDPLANGWCCEO-UHFFFAOYSA-N 0 0 212.256 2.185 10 0 BEAERN Cc1cc(Cl)ccc1Nc1ncnc(N)c1N ZINC000040703139 178069505 /nfs/dbraw/zinc/06/95/05/178069505.db2.gz XCTJBSQROKENFJ-UHFFFAOYSA-N 0 0 249.705 2.346 10 0 BEAERN Cc1cc(Cl)n(C[C@@H](O)C(C)(C)C)n1 ZINC000000159838 178071634 /nfs/dbraw/zinc/07/16/34/178071634.db2.gz KVKMLCOOTHLZHI-MRVPVSSYSA-N 0 0 216.712 2.252 10 0 BEAERN Cc1cc(Cl)nc([C@H]2CCCOC2)n1 ZINC000082580550 178072640 /nfs/dbraw/zinc/07/26/40/178072640.db2.gz MGYKBBLANQYASV-QMMMGPOBSA-N 0 0 212.680 2.332 10 0 BEAERN C[C@@H]1CCC(=O)[C@@H](C[C@@H](O)C(F)(F)F)C1 ZINC000222366426 398185702 /nfs/dbraw/zinc/18/57/02/398185702.db2.gz UPOZZPRYKBXIEN-ZXFLCMHBSA-N 0 0 224.222 2.305 10 0 BEAERN COc1ncc(C2=C[C@@H](O)CCC2)s1 ZINC000307641368 398186199 /nfs/dbraw/zinc/18/61/99/398186199.db2.gz INGPFFDKYAVCHT-QMMMGPOBSA-N 0 0 211.286 2.080 10 0 BEAERN Cc1cc(F)ccc1-c1nccc(N)n1 ZINC000072191751 178081169 /nfs/dbraw/zinc/08/11/69/178081169.db2.gz VOMPTQPVRXOIEK-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@H]1C[C@@H]1C ZINC000137521619 178083885 /nfs/dbraw/zinc/08/38/85/178083885.db2.gz LNXSVISQHBUHNI-KWQFWETISA-N 0 0 207.248 2.272 10 0 BEAERN Cc1cc(F)ccc1NCC(=O)NC(C)C ZINC000020054489 178089342 /nfs/dbraw/zinc/08/93/42/178089342.db2.gz HYCNSLRUAWDCQD-UHFFFAOYSA-N 0 0 224.279 2.071 10 0 BEAERN Cc1cc(F)ccc1NC(=O)c1cccnc1N ZINC000050699727 178090209 /nfs/dbraw/zinc/09/02/09/178090209.db2.gz OUQXCEBMFQKQPE-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1cc(F)ccc1[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000050579820 178092325 /nfs/dbraw/zinc/09/23/25/178092325.db2.gz FIORHCHNUIDSFL-NSHDSACASA-N 0 0 223.247 2.012 10 0 BEAERN O=C(c1nc[nH]n1)c1ccc(Cl)cc1Cl ZINC000306766093 398193162 /nfs/dbraw/zinc/19/31/62/398193162.db2.gz NTXGKEWLWISSGK-UHFFFAOYSA-N 0 0 242.065 2.343 10 0 BEAERN Cc1cc(N(C)C[C@@H]2CCCO2)ccc1N ZINC000042463701 178098524 /nfs/dbraw/zinc/09/85/24/178098524.db2.gz KSVOSQYUIJDUFU-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1NC1CCC(O)CC1 ZINC000034978351 178106056 /nfs/dbraw/zinc/10/60/56/178106056.db2.gz JUXZWQDGSBALBY-UHFFFAOYSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(N)ccc1NC[C@H]1CCOC1 ZINC000061146684 178106378 /nfs/dbraw/zinc/10/63/78/178106378.db2.gz IQKOXMGNAJSMFB-SNVBAGLBSA-N 0 0 206.289 2.026 10 0 BEAERN Cc1cc(N)ccc1SCC(C)(C)O ZINC000037692449 178106482 /nfs/dbraw/zinc/10/64/82/178106482.db2.gz YFLOHBGDZJHBBT-UHFFFAOYSA-N 0 0 211.330 2.440 10 0 BEAERN Cc1cc(N)ccc1NC[C@@H]1CCOC1 ZINC000061146683 178106864 /nfs/dbraw/zinc/10/68/64/178106864.db2.gz IQKOXMGNAJSMFB-JTQLQIEISA-N 0 0 206.289 2.026 10 0 BEAERN Cc1cc(N)ccc1OCC1CCOCC1 ZINC000052146425 178107042 /nfs/dbraw/zinc/10/70/42/178107042.db2.gz LBLJKGBKYOWCFC-UHFFFAOYSA-N 0 0 221.300 2.383 10 0 BEAERN Cc1cc(N)ccc1N[C@@H](C)Cn1ccnc1 ZINC000049234744 178107049 /nfs/dbraw/zinc/10/70/49/178107049.db2.gz MGYUHPYDRZVBRB-NSHDSACASA-N 0 0 230.315 2.274 10 0 BEAERN c1cnc2c(c1)nccc2NCC[C@@H]1CCCO1 ZINC000386114916 398197804 /nfs/dbraw/zinc/19/78/04/398197804.db2.gz UWYATBPZNDHHPN-NSHDSACASA-N 0 0 243.310 2.033 10 0 BEAERN Cc1cc(N)ccc1[C@@H](N)C(F)(F)F ZINC000072191419 178108123 /nfs/dbraw/zinc/10/81/23/178108123.db2.gz MXOGRNMHUYLOHZ-MRVPVSSYSA-N 0 0 204.195 2.139 10 0 BEAERN CC[C@@]1(O)COc2c(C)ccc(C)c2O1 ZINC000536954396 398198141 /nfs/dbraw/zinc/19/81/41/398198141.db2.gz MCWKRIBOTCPGKA-LBPRGKRZSA-N 0 0 208.257 2.173 10 0 BEAERN Cc1cc(N)nc(Cc2ccc(F)cc2)n1 ZINC000050845093 178109384 /nfs/dbraw/zinc/10/93/84/178109384.db2.gz URPZSMBWEQIBGJ-UHFFFAOYSA-N 0 0 217.247 2.097 10 0 BEAERN Cc1cc(N)nn1C/C=C/c1ccccc1 ZINC000067799435 178110790 /nfs/dbraw/zinc/11/07/90/178110790.db2.gz WLSXXAYQZYSYSD-VMPITWQZSA-N 0 0 213.284 2.487 10 0 BEAERN Cc1cc(N)nn1CCCOc1ccc(F)cc1 ZINC000067799278 178111674 /nfs/dbraw/zinc/11/16/74/178111674.db2.gz SMFYONAEJHSGNO-UHFFFAOYSA-N 0 0 249.289 2.382 10 0 BEAERN C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H](C)O1 ZINC000162723350 538924428 /nfs/dbraw/zinc/92/44/28/538924428.db2.gz BVEBOVCCAHWFLI-NXEZZACHSA-N 0 0 237.343 2.058 10 0 BEAERN CC1(C)SC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000393825058 343983243 /nfs/dbraw/zinc/98/32/43/343983243.db2.gz YVAHCFCXAGVTKO-UTINFBMNSA-N 0 0 225.357 2.043 10 0 BEAERN CN1CCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616637749 398213671 /nfs/dbraw/zinc/21/36/71/398213671.db2.gz PKZQYQPUYAZDQF-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)ccc1O ZINC000189668313 178145295 /nfs/dbraw/zinc/14/52/95/178145295.db2.gz NNKDNLYMVSBPEN-ZYHUDNBSSA-N 0 0 249.310 2.454 10 0 BEAERN c1cc([C@H]2COCCN2Cc2ccccc2)no1 ZINC000616640536 398216224 /nfs/dbraw/zinc/21/62/24/398216224.db2.gz WZHSWFHMRSKAEG-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616612300 349517728 /nfs/dbraw/zinc/51/77/28/349517728.db2.gz QOXIAPHFPKXEGG-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 ZINC000048602532 178146904 /nfs/dbraw/zinc/14/69/04/178146904.db2.gz YKHNCWFDUNJCAJ-IVZWLZJFSA-N 0 0 219.288 2.093 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)ccc1O ZINC000189668367 178147566 /nfs/dbraw/zinc/14/75/66/178147566.db2.gz NNKDNLYMVSBPEN-JQWIXIFHSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(NC(=O)[C@H]2OCC[C@H]2C)ccc1O ZINC000119650252 178149207 /nfs/dbraw/zinc/14/92/07/178149207.db2.gz ZAAWVVUDZUYMLT-PELKAZGASA-N 0 0 235.283 2.064 10 0 BEAERN Cc1cc(NC(=O)c2ccc(Cl)nc2)on1 ZINC000019384810 178149795 /nfs/dbraw/zinc/14/97/95/178149795.db2.gz GAWQQNZAQBPKEK-UHFFFAOYSA-N 0 0 237.646 2.284 10 0 BEAERN Cc1cc(NC(=O)c2cc(C)on2)n(C(C)C)n1 ZINC000013657090 178150536 /nfs/dbraw/zinc/15/05/36/178150536.db2.gz LGPNUWPZCOSCPQ-UHFFFAOYSA-N 0 0 248.286 2.321 10 0 BEAERN O=C(c1ccc2c(c1)CCCN2)N1CCCC1 ZINC000019722828 538927568 /nfs/dbraw/zinc/92/75/68/538927568.db2.gz SRSOYDWXNUNNQU-UHFFFAOYSA-N 0 0 230.311 2.281 10 0 BEAERN Cc1cc(NCC2(C)COC2)nc(C(C)C)n1 ZINC000112695860 178156385 /nfs/dbraw/zinc/15/63/85/178156385.db2.gz YLQUHLLXXUZZRS-UHFFFAOYSA-N 0 0 235.331 2.357 10 0 BEAERN Cc1cc(NCC(C)(C)CO)nc(C(C)C)n1 ZINC000124274898 178156669 /nfs/dbraw/zinc/15/66/69/178156669.db2.gz GBSITDHMMGFITA-UHFFFAOYSA-N 0 0 237.347 2.339 10 0 BEAERN O=C(NC1CC=CC1)C1(Br)CCC1 ZINC000127186495 398211004 /nfs/dbraw/zinc/21/10/04/398211004.db2.gz VGWFWJQFRGHWFF-UHFFFAOYSA-N 0 0 244.132 2.139 10 0 BEAERN Cn1cnc(C(=O)[C@H]2CCCC2(C)C)c1 ZINC000306563978 398211209 /nfs/dbraw/zinc/21/12/09/398211209.db2.gz WAVNBXPYMNIBRX-SECBINFHSA-N 0 0 206.289 2.429 10 0 BEAERN CCC(CC)CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000120715465 168345570 /nfs/dbraw/zinc/34/55/70/168345570.db2.gz FEMODGGYWYNAQH-JQWIXIFHSA-N 0 0 227.348 2.496 10 0 BEAERN Cc1cc(NC[C@@H]2CCCCO2)nc(Cl)n1 ZINC000052814835 178165129 /nfs/dbraw/zinc/16/51/29/178165129.db2.gz WGPLCESKZWTTPY-VIFPVBQESA-N 0 0 241.722 2.419 10 0 BEAERN Cc1cc(NCC[C@@H]2CCCO2)nnc1C ZINC000301164871 178163057 /nfs/dbraw/zinc/16/30/57/178163057.db2.gz DEBNUOVTCQCXRJ-NSHDSACASA-N 0 0 221.304 2.074 10 0 BEAERN CNc1snc(N)c1-c1csc(C)n1 ZINC000234547052 343985672 /nfs/dbraw/zinc/98/56/72/343985672.db2.gz WEROIUCXQZOFKH-UHFFFAOYSA-N 0 0 226.330 2.199 10 0 BEAERN Cc1cc(NN)c2cccc(OC(F)F)c2n1 ZINC000051170189 178175996 /nfs/dbraw/zinc/17/59/96/178175996.db2.gz XWHOHALMMLCLAT-UHFFFAOYSA-N 0 0 239.225 2.430 10 0 BEAERN CC(C)=CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160634168 136222135 /nfs/dbraw/zinc/22/21/35/136222135.db2.gz LCYSTJPSDCSDAN-OCCSQVGLSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1cc(N[C@@H]2CCC(=O)NC23CCC3)ncn1 ZINC000328738773 178181413 /nfs/dbraw/zinc/18/14/13/178181413.db2.gz KXJDJFBUMJQPFX-SNVBAGLBSA-N 0 0 246.314 2.239 10 0 BEAERN C[C@@H]1CC[C@H]1Nc1ncnc(Cl)c1C=O ZINC000306859974 398223330 /nfs/dbraw/zinc/22/33/30/398223330.db2.gz DKXPSKJHWZGVKZ-HTRCEHHLSA-N 0 0 225.679 2.153 10 0 BEAERN Cc1cc(O)c(-c2ccnc(N)n2)cc1Cl ZINC000015022179 178193861 /nfs/dbraw/zinc/19/38/61/178193861.db2.gz KXTVFBAUIPWOPB-UHFFFAOYSA-N 0 0 235.674 2.393 10 0 BEAERN Cc1ncsc1Cn1cc[nH]c1=S ZINC000070837318 361781455 /nfs/dbraw/zinc/78/14/55/361781455.db2.gz UDJOZEQVEJGGNB-UHFFFAOYSA-N 0 0 211.315 2.359 10 0 BEAERN Cc1cc(Oc2ccccc2)c[n+]([O-])c1 ZINC000027985777 178216051 /nfs/dbraw/zinc/21/60/51/178216051.db2.gz UZFQJTRTUBSADT-UHFFFAOYSA-N 0 0 201.225 2.421 10 0 BEAERN O=C(CC1(O)CCCCC1)N1C[C@@H]2CCC[C@H]21 ZINC000334196103 136224238 /nfs/dbraw/zinc/22/42/38/136224238.db2.gz KXKCJEZGEXIWBY-NWDGAFQWSA-N 0 0 237.343 2.083 10 0 BEAERN Cc1cc(=S)[nH]c(-c2ccncc2)n1 ZINC000045956183 178218471 /nfs/dbraw/zinc/21/84/71/178218471.db2.gz MGFBREOBJZEWLO-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN Cc1c(Cl)nnc(N(C)C2CC2)c1C ZINC000070820789 361771645 /nfs/dbraw/zinc/77/16/45/361771645.db2.gz SGVOSVXWASMSNO-UHFFFAOYSA-N 0 0 211.696 2.345 10 0 BEAERN CC[C@H](C)CC1N=NC(=S)N1C1CC1 ZINC000164428568 538933109 /nfs/dbraw/zinc/93/31/09/538933109.db2.gz DJIUPSXTDJMFFX-ZETCQYMHSA-N 0 0 211.334 2.490 10 0 BEAERN Cc1cc([C@@H]([NH3+])CC(=O)[O-])c2ccccc2n1 ZINC000083327208 178235479 /nfs/dbraw/zinc/23/54/79/178235479.db2.gz ZBCWAPMQZZNSPI-NSHDSACASA-N 0 0 230.267 2.018 10 0 BEAERN Cc1cc([C@@H]([NH2+]C(C)C)C(=O)[O-])c(C)s1 ZINC000049687652 178237187 /nfs/dbraw/zinc/23/71/87/178237187.db2.gz MGQOAMICNNCONO-SNVBAGLBSA-N 0 0 227.329 2.489 10 0 BEAERN Cc1cc([C@@H]2CNC(=O)O2)ccc1Cl ZINC000075456302 178242984 /nfs/dbraw/zinc/24/29/84/178242984.db2.gz YSUVQSJRPBMKFX-VIFPVBQESA-N 0 0 211.648 2.429 10 0 BEAERN Cc1cc2c(ncnc2C(=O)OC(C)(C)C)n1C ZINC000097758741 178278162 /nfs/dbraw/zinc/27/81/62/178278162.db2.gz GSDDTSWBRNCXAR-UHFFFAOYSA-N 0 0 247.298 2.232 10 0 BEAERN Cc1cc2c([nH]1)c(=O)n(O)c1ccccc21 ZINC000034146008 178282171 /nfs/dbraw/zinc/28/21/71/178282171.db2.gz DUERYRFAFPDREP-UHFFFAOYSA-N 0 0 214.224 2.029 10 0 BEAERN Cc1cc2ccccc2n1CC(=O)N[C@H]1C[C@@H]1C ZINC000068150150 178297406 /nfs/dbraw/zinc/29/74/06/178297406.db2.gz ISAIGCFHFUQSSK-GWCFXTLKSA-N 0 0 242.322 2.474 10 0 BEAERN Cc1cc2cccc(Cl)c2[nH]c1=NN ZINC000011633997 178297941 /nfs/dbraw/zinc/29/79/41/178297941.db2.gz AXEMBQBOWXBICU-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN Cc1cc2nc(NCCO)sc2cc1C ZINC000045237254 178302599 /nfs/dbraw/zinc/30/25/99/178302599.db2.gz ZDBFWAJVMBLBCE-UHFFFAOYSA-N 0 0 222.313 2.317 10 0 BEAERN Cc1cc2onc(CCO)c2cc1Cl ZINC000031887526 178307677 /nfs/dbraw/zinc/30/76/77/178307677.db2.gz BAAJBTCYKIAJBH-UHFFFAOYSA-N 0 0 211.648 2.324 10 0 BEAERN Cc1cc[nH]c1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000280526016 178310286 /nfs/dbraw/zinc/31/02/86/178310286.db2.gz GGMQRRUMECPUIT-NEPJUHHUSA-N 0 0 248.326 2.107 10 0 BEAERN Cc1ccc(-c2cc(Cl)nc(N)n2)cn1 ZINC000202493670 178320940 /nfs/dbraw/zinc/32/09/40/178320940.db2.gz ASRVJHKMYLHTCV-UHFFFAOYSA-N 0 0 220.663 2.083 10 0 BEAERN Cc1ccc(-n2nnc(CO)c2C(C)C)cc1F ZINC000045892794 178350147 /nfs/dbraw/zinc/35/01/47/178350147.db2.gz PJHFCAXJQBFWMH-UHFFFAOYSA-N 0 0 249.289 2.331 10 0 BEAERN Cc1ccc(-c2nccc(N)n2)cc1F ZINC000050846982 178337899 /nfs/dbraw/zinc/33/78/99/178337899.db2.gz OUEZWPZJPYNTTR-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN CCC(CC)N(C)c1cc2c(cc1N)CC(=O)N2 ZINC000036788882 168368740 /nfs/dbraw/zinc/36/87/40/168368740.db2.gz GHBPHJFDJCOITG-UHFFFAOYSA-N 0 0 247.342 2.388 10 0 BEAERN CC(C)(NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000393857464 343995989 /nfs/dbraw/zinc/99/59/89/343995989.db2.gz PBKDAIAWIWJCKA-RNLVFQAGSA-N 0 0 235.249 2.490 10 0 BEAERN Cc1ccc(-n2nnc(CO)c2C(C)(C)C)cc1 ZINC000045892111 178349978 /nfs/dbraw/zinc/34/99/78/178349978.db2.gz MRBNRTPBNNYHDB-UHFFFAOYSA-N 0 0 245.326 2.366 10 0 BEAERN CC[C@H](NCc1cnn(C)c1C)C(F)(F)F ZINC000336781818 398255676 /nfs/dbraw/zinc/25/56/76/398255676.db2.gz VUDYEHVHCFOGQO-VIFPVBQESA-N 0 0 235.253 2.159 10 0 BEAERN Cc1ccc(-c2nc([C@H]3CCCO3)n[nH]2)cc1N ZINC000072236724 178330998 /nfs/dbraw/zinc/33/09/98/178330998.db2.gz CAUMFEHGHKZPCT-LLVKDONJSA-N 0 0 244.298 2.214 10 0 BEAERN Cc1ccc(-c2n[nH]c(=S)[nH]2)c(C)n1 ZINC000055331009 178331887 /nfs/dbraw/zinc/33/18/87/178331887.db2.gz MUJXRFJBEGKXIJ-UHFFFAOYSA-N 0 0 206.274 2.146 10 0 BEAERN Cc1ccc(Br)cc1CCO ZINC000001578041 178362233 /nfs/dbraw/zinc/36/22/33/178362233.db2.gz HYGIGDGTNFPMLJ-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN Cc1ccc(-n2nnc3cccnc32)c(C)c1 ZINC000169320979 178350903 /nfs/dbraw/zinc/35/09/03/178350903.db2.gz NXFPJLHBUBRYJK-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN Cc1ccc(C(=O)N(C)CC(F)(F)F)c(C)n1 ZINC000119865691 178376773 /nfs/dbraw/zinc/37/67/73/178376773.db2.gz DSCLCMMIJTYGQK-UHFFFAOYSA-N 0 0 246.232 2.333 10 0 BEAERN CCC(CC)N(CCO)c1cccc(F)c1N ZINC000042501277 168374355 /nfs/dbraw/zinc/37/43/55/168374355.db2.gz DPDXHUFTBDHHQH-UHFFFAOYSA-N 0 0 240.322 2.395 10 0 BEAERN Cc1ccc(C(=O)N(CCO)C(C)C)cc1C ZINC000036792980 178382105 /nfs/dbraw/zinc/38/21/05/178382105.db2.gz ZDIDRIWRXOFHDX-UHFFFAOYSA-N 0 0 235.327 2.146 10 0 BEAERN Nc1cnn(Cc2cc(Cl)ccc2F)c1 ZINC000231106692 538952245 /nfs/dbraw/zinc/95/22/45/538952245.db2.gz OHQYLBWVRRGKDA-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CCC(CC)N(CCO)c1ccc(C=O)cc1 ZINC000042510063 168374815 /nfs/dbraw/zinc/37/48/15/168374815.db2.gz ZNIRSYPIERLBNY-UHFFFAOYSA-N 0 0 235.327 2.486 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2cccc(CO)c2)C1 ZINC000616612778 349579189 /nfs/dbraw/zinc/57/91/89/349579189.db2.gz IYILKSPAKOEYLN-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN Cc1ccc(C(=O)N2CC[C@H](CCO)C2)cc1C ZINC000123012379 178397319 /nfs/dbraw/zinc/39/73/19/178397319.db2.gz RBHDNMSKXKCBDM-CYBMUJFWSA-N 0 0 247.338 2.148 10 0 BEAERN CCC(CC)N1C(=O)Cc2cnc(Cl)nc21 ZINC000088384054 168375833 /nfs/dbraw/zinc/37/58/33/168375833.db2.gz MKDZXFUXPZTKFF-UHFFFAOYSA-N 0 0 239.706 2.208 10 0 BEAERN CCC(CC)N(CCOC)c1ccc(N)cn1 ZINC000042614494 168375861 /nfs/dbraw/zinc/37/58/61/168375861.db2.gz GMURCDSJZKDUEG-UHFFFAOYSA-N 0 0 237.347 2.305 10 0 BEAERN CC1=[N+](C)c2ccc(C(=O)[O-])cc2C1(C)C ZINC000035092041 538955478 /nfs/dbraw/zinc/95/54/78/538955478.db2.gz FBTCSMZMRJKXBI-UHFFFAOYSA-O 0 0 218.276 2.411 10 0 BEAERN C[C@@H]1CCCC[C@H]1n1c(N)n[nH]c1=S ZINC000070881368 361834089 /nfs/dbraw/zinc/83/40/89/361834089.db2.gz DEBZTKLCXXWDEX-RNFRBKRXSA-N 0 0 212.322 2.274 10 0 BEAERN CCCC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405519344 538959895 /nfs/dbraw/zinc/95/98/95/538959895.db2.gz UKKIXHSVJNDVQW-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN CN(CC(=O)c1ccoc1)C(=O)OC(C)(C)C ZINC000405469847 538960018 /nfs/dbraw/zinc/96/00/18/538960018.db2.gz CKIAQABBFYZACV-UHFFFAOYSA-N 0 0 239.271 2.329 10 0 BEAERN CC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000405571535 538960255 /nfs/dbraw/zinc/96/02/55/538960255.db2.gz BHFXTRVWKGWHNU-KOLCDFICSA-N 0 0 241.331 2.469 10 0 BEAERN COC(=O)Cc1nccc2sccc21 ZINC000259835766 349609407 /nfs/dbraw/zinc/60/94/07/349609407.db2.gz RVZUDFUTIUYTNP-UHFFFAOYSA-N 0 0 207.254 2.012 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ccc(N)nc1 ZINC000616613282 349610243 /nfs/dbraw/zinc/61/02/43/349610243.db2.gz SRXMGKQIQBGTNH-LLVKDONJSA-N 0 0 249.314 2.178 10 0 BEAERN Cc1nc2c3c(cccc3F)nn2c(C)n1 ZINC000047218707 342670597 /nfs/dbraw/zinc/67/05/97/342670597.db2.gz REYKQQFESBOWFH-UHFFFAOYSA-N 0 0 216.219 2.033 10 0 BEAERN CC[C@@H](C)[C@H](C)n1c(N)n[nH]c1=S ZINC000070882732 361850315 /nfs/dbraw/zinc/85/03/15/361850315.db2.gz MDJKUTWQDJHETJ-RITPCOANSA-N 0 0 200.311 2.130 10 0 BEAERN CCC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406069085 538962972 /nfs/dbraw/zinc/96/29/72/538962972.db2.gz PAIMOPYSJVUJEB-JTQLQIEISA-N 0 0 227.304 2.269 10 0 BEAERN CSc1nc(-c2ccccc2)cc(=O)n1C ZINC000001511448 342702219 /nfs/dbraw/zinc/70/22/19/342702219.db2.gz PCZRLUJUGWVYHT-UHFFFAOYSA-N 0 0 232.308 2.169 10 0 BEAERN COC(=O)c1c(Cl)ccc(O)c1Cl ZINC000144613211 342705912 /nfs/dbraw/zinc/70/59/12/342705912.db2.gz VQMDSJOGHWUVSO-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN CCOc1cc2c(cc1OC)C(C)=NCC2 ZINC000001641333 342706880 /nfs/dbraw/zinc/70/68/80/342706880.db2.gz ZYAQPWZMOVNFDF-UHFFFAOYSA-N 0 0 219.284 2.459 10 0 BEAERN c1nn(Cc2ccccc2)cc1[C@H]1NCCS1 ZINC000306650301 361843779 /nfs/dbraw/zinc/84/37/79/361843779.db2.gz HICDCJBMLCPBTB-ZDUSSCGKSA-N 0 0 245.351 2.266 10 0 BEAERN CC(=O)NC1Cc2cccc3cccc(c32)C1 ZINC000000021623 398277256 /nfs/dbraw/zinc/27/72/56/398277256.db2.gz NSODBKSYAOTJPJ-UHFFFAOYSA-N 0 0 225.291 2.443 10 0 in-vivo BEAERN c1n[nH]cc1CNc1nc2ccccc2o1 ZINC000038008276 538964530 /nfs/dbraw/zinc/96/45/30/538964530.db2.gz LJMIIQXTRUOWQO-UHFFFAOYSA-N 0 0 214.228 2.163 10 0 BEAERN CCC(CC)NC(=O)c1ccc(O)cc1 ZINC000019837272 168385500 /nfs/dbraw/zinc/38/55/00/168385500.db2.gz PXFXMUPNNMIGDU-UHFFFAOYSA-N 0 0 207.273 2.311 10 0 BEAERN Nc1cnc(-c2cccc3ccccc32)c(N)n1 ZINC000035570160 342729878 /nfs/dbraw/zinc/72/98/78/342729878.db2.gz ICRHXJKFAWYADY-UHFFFAOYSA-N 0 0 236.278 2.461 10 0 BEAERN CCN(CC)C(=S)C(=O)Nc1ccccc1 ZINC000003178238 342731506 /nfs/dbraw/zinc/73/15/06/342731506.db2.gz ZFCYUALSZWKWDL-UHFFFAOYSA-N 0 0 236.340 2.294 10 0 BEAERN Cc1ccc2nc(NCCO)sc2c1 ZINC000003210857 342731723 /nfs/dbraw/zinc/73/17/23/342731723.db2.gz VDYBNWKSXFOKNH-UHFFFAOYSA-N 0 0 208.286 2.009 10 0 BEAERN CC(C)[C@H](NN)c1ccc(Br)o1 ZINC000126841963 342733097 /nfs/dbraw/zinc/73/30/97/342733097.db2.gz NLVKWBOIJOOBLG-QMMMGPOBSA-N 0 0 233.109 2.203 10 0 BEAERN OCCSCc1nc2ccccc2o1 ZINC000035611744 342753063 /nfs/dbraw/zinc/75/30/63/342753063.db2.gz PEBNNEQHEHCLPW-UHFFFAOYSA-N 0 0 209.270 2.053 10 0 BEAERN CC(=O)c1ccc2c(c1)C[C@@H](CCCO)C2 ZINC000216137630 342755873 /nfs/dbraw/zinc/75/58/73/342755873.db2.gz GGQFQAQAGLCWLZ-NSHDSACASA-N 0 0 218.296 2.377 10 0 BEAERN CCCc1nc(CSC2CCOCC2)no1 ZINC000130801400 323011959 /nfs/dbraw/zinc/01/19/59/323011959.db2.gz XSVFERFDZULXOT-UHFFFAOYSA-N 0 0 242.344 2.434 10 0 BEAERN COC(=O)C(=O)CC(C)(C)c1ccccc1 ZINC000138111450 342758064 /nfs/dbraw/zinc/75/80/64/342758064.db2.gz DVDFGBQOFICTNV-UHFFFAOYSA-N 0 0 220.268 2.096 10 0 BEAERN OCc1cccc(CCO[C@@H]2CCCCO2)c1 ZINC000145278213 342760938 /nfs/dbraw/zinc/76/09/38/342760938.db2.gz OQFWAYGCAARWRO-CQSZACIVSA-N 0 0 236.311 2.265 10 0 BEAERN Nc1ccc2nn(-c3ccccc3)nc2c1N=O ZINC000005280075 342761595 /nfs/dbraw/zinc/76/15/95/342761595.db2.gz XLXYLZPOTPUVQC-UHFFFAOYSA-N 0 0 239.238 2.401 10 0 BEAERN COC(=O)c1ccc(C(C)(C)OC)cc1 ZINC000145478213 342761632 /nfs/dbraw/zinc/76/16/32/342761632.db2.gz PVZBSPRBBLXEEY-UHFFFAOYSA-N 0 0 208.257 2.355 10 0 BEAERN CC1(C)COc2ccc(Br)nc2N1 ZINC000145659197 342762309 /nfs/dbraw/zinc/76/23/09/342762309.db2.gz XSOBYFRZZMBSJY-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCC1 ZINC000005488435 342764716 /nfs/dbraw/zinc/76/47/16/342764716.db2.gz YDVBLKDIWQKVIL-QWHCGFSZSA-N 0 0 215.296 2.413 10 0 BEAERN O=C1CCN(c2cccc3cccnc32)CC1 ZINC000146211157 342766729 /nfs/dbraw/zinc/76/67/29/342766729.db2.gz PJGGDDGDZNJASL-UHFFFAOYSA-N 0 0 226.279 2.404 10 0 BEAERN CCOC(=O)[C@@H]1Cc2cc(OC)ccc2C(=O)C1 ZINC000146275383 342767436 /nfs/dbraw/zinc/76/74/36/342767436.db2.gz QMRXULBFPJRJGZ-SNVBAGLBSA-N 0 0 248.278 2.003 10 0 BEAERN Cn1c(=O)onc1-c1[nH]c2ccccc2c1Cl ZINC000146249969 342768406 /nfs/dbraw/zinc/76/84/06/342768406.db2.gz JZJDVSDDYQGYIG-UHFFFAOYSA-N 0 0 249.657 2.175 10 0 BEAERN O=c1oc2cc(F)ccc2cc1-c1c[nH]cn1 ZINC000146596484 342770114 /nfs/dbraw/zinc/77/01/14/342770114.db2.gz WUHLZUNVABSIHH-UHFFFAOYSA-N 0 0 230.198 2.322 10 0 BEAERN CCc1cc(CCc2ccccn2)c(=O)[nH]c1C ZINC000005847358 342770384 /nfs/dbraw/zinc/77/03/84/342770384.db2.gz BZSUGNSPDPOGES-UHFFFAOYSA-N 0 0 242.322 2.426 10 0 BEAERN C/C=C/[C@@H](CF)N1C(=O)c2ccccc2C1=O ZINC000146782529 342771958 /nfs/dbraw/zinc/77/19/58/342771958.db2.gz YYORIIZWGKWFEC-MAHOQKISSA-N 0 0 233.242 2.197 10 0 BEAERN COc1cc2c(c(OC)c1)[C@H]1C=CO[C@H]1O2 ZINC000006017668 342772826 /nfs/dbraw/zinc/77/28/26/342772826.db2.gz KEFXQTPQVMBKRL-PELKAZGASA-N 0 0 220.224 2.050 10 0 BEAERN Cc1nn(C(C)(C)C)cc1C(=O)N[C@H]1C[C@H]1C ZINC000184241056 538968512 /nfs/dbraw/zinc/96/85/12/538968512.db2.gz SEBNKHSRBKRQPV-KCJUWKMLSA-N 0 0 235.331 2.085 10 0 BEAERN CC(C)(C)N1C[C@H](CO)O[C@H]1c1ccccc1 ZINC000006493037 342778649 /nfs/dbraw/zinc/77/86/49/342778649.db2.gz JERBWURCWWHQBK-OLZOCXBDSA-N 0 0 235.327 2.177 10 0 BEAERN CC(C)Oc1c(N)ccc2c1CCCC(=O)N2C ZINC000150296970 342800350 /nfs/dbraw/zinc/80/03/50/342800350.db2.gz JLTVWDFRZOWIBE-UHFFFAOYSA-N 0 0 248.326 2.355 10 0 BEAERN O=C([O-])[C@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000008698866 342802270 /nfs/dbraw/zinc/80/22/70/342802270.db2.gz LWQZLYKNHGMXSX-QWRGUYRKSA-N 0 0 239.340 2.481 10 0 BEAERN Oc1ccc2c(c1)[C@@]13CCCC[C@H]1N(C2)NCC3 ZINC000147756324 342780319 /nfs/dbraw/zinc/78/03/19/342780319.db2.gz URQPUQKGGMPUDA-CABCVRRESA-N 0 0 244.338 2.297 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)NCc2ccccc2)CO1 ZINC000401412703 342786728 /nfs/dbraw/zinc/78/67/28/342786728.db2.gz SNQFPGYMXUKNQR-AAEUAGOBSA-N 0 0 248.326 2.053 10 0 BEAERN Cc1ccc([C@@H](O)c2ccc(O)cc2)nc1 ZINC000148356164 342790634 /nfs/dbraw/zinc/79/06/34/342790634.db2.gz OFEAIKKESNQESB-ZDUSSCGKSA-N 0 0 215.252 2.177 10 0 BEAERN CON(C)C(=O)c1cc(C=O)c2ccccc2c1 ZINC000148751510 342792565 /nfs/dbraw/zinc/79/25/65/342792565.db2.gz WLHKKZJPZCGINP-UHFFFAOYSA-N 0 0 243.262 2.286 10 0 BEAERN c1cc2c(ncc3ncc(N4CCCCC4)n32)[nH]1 ZINC000149504683 342794250 /nfs/dbraw/zinc/79/42/50/342794250.db2.gz JOGPSCMRUSVGQT-UHFFFAOYSA-N 0 0 241.298 2.201 10 0 BEAERN N#C[C@@H](NCc1ccccc1)[C@@H]1CCCCO1 ZINC000149826673 342794825 /nfs/dbraw/zinc/79/48/25/342794825.db2.gz MLWXFRGPXWBEQL-KGLIPLIRSA-N 0 0 230.311 2.237 10 0 BEAERN CC(C)[N@@H+]1Cc2ccccc2[C@@H]1CC(=O)[O-] ZINC000149792072 342794959 /nfs/dbraw/zinc/79/49/59/342794959.db2.gz DVWGICSQDVNBJR-LBPRGKRZSA-N 0 0 219.284 2.426 10 0 BEAERN O=C(O[C@@H]1CC[C@H]2C(=O)C[C@@H]21)c1ccccc1 ZINC000150026791 342795818 /nfs/dbraw/zinc/79/58/18/342795818.db2.gz GNDYVUUIJUDHMI-NTZNESFSSA-N 0 0 230.263 2.211 10 0 BEAERN CC[C@@H](NN)[C@@H]1CSc2ccccc21 ZINC000126877938 342797355 /nfs/dbraw/zinc/79/73/55/342797355.db2.gz ZFVIURXTQXDKLX-NXEZZACHSA-N 0 0 208.330 2.118 10 0 BEAERN CC[C@]1(C)CN(C(=O)N[C@H](C)C(C)C)CCO1 ZINC000187725835 538977223 /nfs/dbraw/zinc/97/72/23/538977223.db2.gz KGJRVIZGOJSAIR-DGCLKSJQSA-N 0 0 242.363 2.241 10 0 BEAERN CC[C@]1(C)CN(C(=O)N[C@@H](C)C(C)C)CCO1 ZINC000187725797 538977237 /nfs/dbraw/zinc/97/72/37/538977237.db2.gz KGJRVIZGOJSAIR-WCQYABFASA-N 0 0 242.363 2.241 10 0 BEAERN CC[C@@]1(C)CN(C(=O)N[C@H](C)C(C)C)CCO1 ZINC000187725850 538977242 /nfs/dbraw/zinc/97/72/42/538977242.db2.gz KGJRVIZGOJSAIR-YPMHNXCESA-N 0 0 242.363 2.241 10 0 BEAERN CCSCC[NH2+]Cc1cnc(C)s1 ZINC000128900365 398290383 /nfs/dbraw/zinc/29/03/83/398290383.db2.gz QUTSKCKHWPDJRW-UHFFFAOYSA-N 0 0 216.375 2.294 10 0 BEAERN CC(C)CCN(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000188299406 538978204 /nfs/dbraw/zinc/97/82/04/538978204.db2.gz WKDUURXZDOUWNX-RYUDHWBXSA-N 0 0 227.348 2.306 10 0 BEAERN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)C2=O ZINC000035962662 342811411 /nfs/dbraw/zinc/81/14/11/342811411.db2.gz TWMONWHWHWPJFW-YNEHKIRRSA-N 0 0 215.296 2.206 10 0 BEAERN Brc1cnccc1N1CC=CC1 ZINC000126995124 342811891 /nfs/dbraw/zinc/81/18/91/342811891.db2.gz ZXEVGTVPMLMGAZ-UHFFFAOYSA-N 0 0 225.089 2.220 10 0 BEAERN Oc1cccc(Sc2nncs2)c1 ZINC000127044276 342816518 /nfs/dbraw/zinc/81/65/18/342816518.db2.gz AHCQSQLKUHCZFE-UHFFFAOYSA-N 0 0 210.283 2.395 10 0 BEAERN CCC(CC)Nc1ncnc(Cl)c1N ZINC000060836966 168395066 /nfs/dbraw/zinc/39/50/66/168395066.db2.gz NUWDJRGDMMUSJT-UHFFFAOYSA-N 0 0 214.700 2.313 10 0 BEAERN CCC(CC)Nc1ncccc1C(N)=S ZINC000019440336 168395210 /nfs/dbraw/zinc/39/52/10/168395210.db2.gz IMVMIGDIGGMYGX-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN C[C@H]1Oc2cc(F)c(Cl)cc2[C@@H]1O ZINC000134396514 342822057 /nfs/dbraw/zinc/82/20/57/342822057.db2.gz YXWKEVMNAUHHJN-ALFREKQPSA-N 0 0 202.612 2.293 10 0 BEAERN CCCn1ncc2c1nc(C)nc2Cl ZINC000040927318 538974200 /nfs/dbraw/zinc/97/42/00/538974200.db2.gz ODFGEXYNGXFXKC-UHFFFAOYSA-N 0 0 210.668 2.198 10 0 BEAERN CCC(CC)Nc1ccc(C(N)=O)cc1 ZINC000019911430 168394251 /nfs/dbraw/zinc/39/42/51/168394251.db2.gz XPFWEMXDNCCQHO-UHFFFAOYSA-N 0 0 206.289 2.386 10 0 BEAERN NN[C@H](c1ccccc1Br)C1CC1 ZINC000097510459 342806898 /nfs/dbraw/zinc/80/68/98/342806898.db2.gz XLLGDGMGEBNOID-JTQLQIEISA-N 0 0 241.132 2.364 10 0 BEAERN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NO ZINC000127071074 342829387 /nfs/dbraw/zinc/82/93/87/342829387.db2.gz FDAKBZMSUJEDDJ-VHSXEESVSA-N 0 0 244.335 2.049 10 0 BEAERN CN(C)c1cccc(O[C@@H]2CCC[C@@H]2O)c1 ZINC000044367546 538988792 /nfs/dbraw/zinc/98/87/92/538988792.db2.gz QKFLHODGQJTEGU-QWHCGFSZSA-N 0 0 221.300 2.045 10 0 BEAERN CC1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000190410881 538988913 /nfs/dbraw/zinc/98/89/13/538988913.db2.gz KFGGFMNGGWGONH-NWDGAFQWSA-N 0 0 225.332 2.060 10 0 BEAERN C/C(=C/Cl)Cn1nc(C)c(CO)c1C ZINC000308478662 342829938 /nfs/dbraw/zinc/82/99/38/342829938.db2.gz VSEREJKRXHLWBL-DAXSKMNVSA-N 0 0 214.696 2.135 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(C)CC1CCCC1 ZINC000190681718 538990441 /nfs/dbraw/zinc/99/04/41/538990441.db2.gz URJZPFCRJXCIQQ-DGCLKSJQSA-N 0 0 239.359 2.450 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CCCO[C@H]1C)C1CC1 ZINC000191193707 538992038 /nfs/dbraw/zinc/99/20/38/538992038.db2.gz JCLWBBOLLCHTKX-CMPLNLGQSA-N 0 0 225.332 2.201 10 0 BEAERN CC(C)c1nnc(Cl)n1C[C@H]1CCCO1 ZINC000071052584 361936987 /nfs/dbraw/zinc/93/69/87/361936987.db2.gz RPBBVWGLXXOSQJ-MRVPVSSYSA-N 0 0 229.711 2.234 10 0 BEAERN COc1ccc(C)cc1-n1cnnc1Cl ZINC000071052772 361937166 /nfs/dbraw/zinc/93/71/66/361937166.db2.gz DMEMDMLHTHDLRL-UHFFFAOYSA-N 0 0 223.663 2.238 10 0 BEAERN CCC[C@]1(C(=O)OCC)O[C@@]12CC[C@@H]2C ZINC000379899421 538981746 /nfs/dbraw/zinc/98/17/46/538981746.db2.gz DUAVVJAQCPJCTL-MVWJERBFSA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)[C@@]1(CC)O[C@@]12CCC2(C)C ZINC000379981826 538983058 /nfs/dbraw/zinc/98/30/58/538983058.db2.gz SNSDMNSHERNTLZ-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN COCc1cccc(-n2cnnc2Cl)c1 ZINC000071056953 361940461 /nfs/dbraw/zinc/94/04/61/361940461.db2.gz TZQCPYULWMUVIP-UHFFFAOYSA-N 0 0 223.663 2.067 10 0 BEAERN Brc1nnc([C@H]2CCCOC2)s1 ZINC000071051762 361941120 /nfs/dbraw/zinc/94/11/20/361941120.db2.gz FKAUFTRDPFGWTN-YFKPBYRVSA-N 0 0 249.133 2.195 10 0 BEAERN Cc1cccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1O ZINC000189805408 538985380 /nfs/dbraw/zinc/98/53/80/538985380.db2.gz VPBOWLQYASTPLF-GHMZBOCLSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1noc2ncnc(N[C@@H](C)C(C)C)c12 ZINC000193380393 539005473 /nfs/dbraw/zinc/00/54/73/539005473.db2.gz HTXGDRQEYXYHNA-ZETCQYMHSA-N 0 0 220.276 2.383 10 0 BEAERN CC(C)c1ccc([C@@H](C)S(N)(=O)=O)cc1 ZINC000050350235 539010734 /nfs/dbraw/zinc/01/07/34/539010734.db2.gz IPUDPMNYYWFYRK-SECBINFHSA-N 0 0 227.329 2.160 10 0 BEAERN CCOC(=O)C(C)(C)[C@@H](O)c1ccc(F)cc1 ZINC000052257050 539011903 /nfs/dbraw/zinc/01/19/03/539011903.db2.gz CYUBCYQMVMAQSW-NSHDSACASA-N 0 0 240.274 2.448 10 0 BEAERN COCCNc1nc2ccccc2nc1Cl ZINC000382779692 361979363 /nfs/dbraw/zinc/97/93/63/361979363.db2.gz DUQOGTBSENZEGR-UHFFFAOYSA-N 0 0 237.690 2.342 10 0 BEAERN COc1ccc(NC(C)=O)c2c1CCCN2 ZINC000390562124 539026494 /nfs/dbraw/zinc/02/64/94/539026494.db2.gz SHWDEEHMPWCSRF-UHFFFAOYSA-N 0 0 220.272 2.012 10 0 BEAERN CC(C)(C)OC(=O)c1cccc2[nH]c(N)nc21 ZINC000725265321 539026952 /nfs/dbraw/zinc/02/69/52/539026952.db2.gz ZWEZDSIJCNLVRD-UHFFFAOYSA-N 0 0 233.271 2.100 10 0 BEAERN C[C@@H](Cn1cc(N)ccc1=O)C(C)(C)C ZINC000710768968 539028195 /nfs/dbraw/zinc/02/81/95/539028195.db2.gz NZPAQBTTZFLHHH-VIFPVBQESA-N 0 0 208.305 2.113 10 0 BEAERN CCCCOC(=O)[C@H]1CC[C@@H](CO)CC1 ZINC000382672846 361973014 /nfs/dbraw/zinc/97/30/14/361973014.db2.gz DDZJSPUFLMBOLX-PHIMTYICSA-N 0 0 214.305 2.128 10 0 BEAERN CCOC(=O)C=C([O-])c1cccc(C)c1C ZINC000382708124 361974752 /nfs/dbraw/zinc/97/47/52/361974752.db2.gz VNCGYMBNHCQUPX-UHFFFAOYSA-N 0 0 220.268 2.439 10 0 BEAERN CC(=O)OCC(=O)c1cc(Cl)ccc1C ZINC000382703528 361977518 /nfs/dbraw/zinc/97/75/18/361977518.db2.gz QLAAWYZXLPSFJX-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN O=C[C@H]1CC[C@@H](O[C@H]2CCCCO2)CC1 ZINC000382706626 361977658 /nfs/dbraw/zinc/97/76/58/361977658.db2.gz UBAIPBDQUUKELJ-TUAOUCFPSA-N 0 0 212.289 2.287 10 0 BEAERN Nc1ccccc1N1CCCSCC1 ZINC000042443808 361999773 /nfs/dbraw/zinc/99/97/73/361999773.db2.gz FIYXENBSYDDCJC-UHFFFAOYSA-N 0 0 208.330 2.212 10 0 BEAERN Cc1c(C=O)sc2nc(C)nc(C)c12 ZINC000012505776 342852917 /nfs/dbraw/zinc/85/29/17/342852917.db2.gz OKENMBBFFPMGDP-UHFFFAOYSA-N 0 0 206.270 2.429 10 0 BEAERN C[C@@H]1OCC[C@]1(O)c1ccccc1Cl ZINC000134440047 342854171 /nfs/dbraw/zinc/85/41/71/342854171.db2.gz JGTXLLULQSUCEW-GZMMTYOYSA-N 0 0 212.676 2.336 10 0 BEAERN CSCCCC(=O)N(C)c1ccccn1 ZINC000134523605 342861305 /nfs/dbraw/zinc/86/13/05/342861305.db2.gz JXAUXKZJSYHODA-UHFFFAOYSA-N 0 0 224.329 2.188 10 0 BEAERN O=c1cc(-c2sccc2Cl)cn[nH]1 ZINC000229973554 342861851 /nfs/dbraw/zinc/86/18/51/342861851.db2.gz XWJQUPSQZGSJTG-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN C[C@@H]1OCC[C@@H]1N(C)c1ccc(C=O)s1 ZINC000134720643 342878567 /nfs/dbraw/zinc/87/85/67/342878567.db2.gz DYMNWCROYOUJBO-WPRPVWTQSA-N 0 0 225.313 2.174 10 0 BEAERN C[C@H](N)c1nnc([C@]2(C)CCCS2)s1 ZINC000164993168 342864103 /nfs/dbraw/zinc/86/41/03/342864103.db2.gz UYNCQRMAXFWFDD-RCOVLWMOSA-N 0 0 229.374 2.300 10 0 BEAERN O=C1CSC[C@@H]1Cc1cccc(F)c1 ZINC000134555677 342865779 /nfs/dbraw/zinc/86/57/79/342865779.db2.gz NIFVDEKDJAGMJH-VIFPVBQESA-N 0 0 210.273 2.300 10 0 BEAERN O=C1CSC[C@H]1Cc1cc(F)ccc1F ZINC000134560383 342866072 /nfs/dbraw/zinc/86/60/72/342866072.db2.gz NVLCHMMMBUBECT-MRVPVSSYSA-N 0 0 228.263 2.439 10 0 BEAERN Cc1ncsc1CC[C@H]1CSCC1=O ZINC000134567540 342868692 /nfs/dbraw/zinc/86/86/92/342868692.db2.gz YGNQHNPZMZZYDK-QMMMGPOBSA-N 0 0 227.354 2.316 10 0 BEAERN Cc1nc(N[C@@H]2CCO[C@@H]2C)sc1C ZINC000134568943 342868864 /nfs/dbraw/zinc/86/88/64/342868864.db2.gz RSIBGVRXFDAFEA-VXNVDRBHSA-N 0 0 212.318 2.349 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1 ZINC000077102502 398306133 /nfs/dbraw/zinc/30/61/33/398306133.db2.gz OXQURTWYCJLOPI-STQMWFEESA-N 0 0 233.311 2.028 10 0 BEAERN O=C(CC1CCCCC1)N[C@H]1CCC[C@@H](O)C1 ZINC000077102468 398306204 /nfs/dbraw/zinc/30/62/04/398306204.db2.gz NXTQHTHYWGAKMV-QWHCGFSZSA-N 0 0 239.359 2.377 10 0 BEAERN O=C(CCC1CCCC1)N[C@H]1CCC[C@H](O)C1 ZINC000077102470 398306329 /nfs/dbraw/zinc/30/63/29/398306329.db2.gz JACFKLSDMGJYPY-STQMWFEESA-N 0 0 239.359 2.377 10 0 BEAERN CC[NH2+]Cc1ccoc1Br ZINC000233508594 342869479 /nfs/dbraw/zinc/86/94/79/342869479.db2.gz UWOIUNOXNBLTAT-UHFFFAOYSA-N 0 0 204.067 2.152 10 0 BEAERN CCOC(=O)CC1CCC2(COC2)CC1 ZINC000308787318 342871440 /nfs/dbraw/zinc/87/14/40/342871440.db2.gz AJJFTKHMHUKUFV-UHFFFAOYSA-N 0 0 212.289 2.146 10 0 in-vitro BEAERN CC[C@H](CCC(C)=O)C(=O)OC(C)C ZINC000077292392 398308186 /nfs/dbraw/zinc/30/81/86/398308186.db2.gz WJFOSFRSGSCPFE-SNVBAGLBSA-N 0 0 200.278 2.333 10 0 in-vitro BEAERN CC(C)(CO)Nc1ccncc1Br ZINC000165046729 342872414 /nfs/dbraw/zinc/87/24/14/342872414.db2.gz BFPLCZNOSQCEOI-UHFFFAOYSA-N 0 0 245.120 2.027 10 0 BEAERN CCOC(=O)c1cnc(Nc2ccccc2)nc1 ZINC000059856641 342873351 /nfs/dbraw/zinc/87/33/51/342873351.db2.gz VDFXHOLXBPOFSI-UHFFFAOYSA-N 0 0 243.266 2.397 10 0 BEAERN CCOC(=O)Cc1c(C)cc(C)cc1OC ZINC000233675361 342877287 /nfs/dbraw/zinc/87/72/87/342877287.db2.gz LLIQPXBEKRZYFV-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN CCC[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000233327573 342856667 /nfs/dbraw/zinc/85/66/67/342856667.db2.gz BUHHPNSNMXXIHW-JTQLQIEISA-N 0 0 243.347 2.404 10 0 BEAERN Clc1csc(OC[C@H]2CCCO2)n1 ZINC000164917964 342857096 /nfs/dbraw/zinc/85/70/96/342857096.db2.gz OMONTCBSSJUIAD-ZCFIWIBFSA-N 0 0 219.693 2.354 10 0 BEAERN NN[C@H](c1sccc1Cl)C(F)(F)F ZINC000229965816 342859434 /nfs/dbraw/zinc/85/94/34/342859434.db2.gz MXFCYOSAWDPMRG-RXMQYKEDSA-N 0 0 230.642 2.468 10 0 BEAERN CSCCCC(=O)N1CCS[C@H](C)C1 ZINC000134841359 342898741 /nfs/dbraw/zinc/89/87/41/342898741.db2.gz ZTVBOPPIMXYTQP-SECBINFHSA-N 0 0 233.402 2.094 10 0 BEAERN CNc1cnccc1C(=O)NCc1ccccc1 ZINC000134741402 342881138 /nfs/dbraw/zinc/88/11/38/342881138.db2.gz XXWLNCUIASYVQW-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN COc1c(Cl)ncnc1N1CCC[C@@H]1C ZINC000134742735 342881146 /nfs/dbraw/zinc/88/11/46/342881146.db2.gz LBXSEFKWGDLSQR-ZETCQYMHSA-N 0 0 227.695 2.127 10 0 BEAERN COc1cccc(F)c1[C@H](C)NCc1cn[nH]c1 ZINC000134773054 342884238 /nfs/dbraw/zinc/88/42/38/342884238.db2.gz AUVHCKVUPCCCRN-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN Cc1ccc(C(N)=S)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000050428813 178458406 /nfs/dbraw/zinc/45/84/06/178458406.db2.gz DVPYXQJIRKMLMH-PSASIEDQSA-N 0 0 248.351 2.224 10 0 BEAERN Cc1ccc(C(N)=S)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000050428812 178458432 /nfs/dbraw/zinc/45/84/32/178458432.db2.gz DVPYXQJIRKMLMH-WPRPVWTQSA-N 0 0 248.351 2.224 10 0 BEAERN C[C@H]1OCC[C@H]1N(C)c1nc(Cl)cs1 ZINC000165228144 342886764 /nfs/dbraw/zinc/88/67/64/342886764.db2.gz FZFUZQDBBYCBEY-RNFRBKRXSA-N 0 0 232.736 2.410 10 0 BEAERN CCSc1nc(N)nc2sccc21 ZINC000233824723 342887419 /nfs/dbraw/zinc/88/74/19/342887419.db2.gz PDZNAAFIAYETOE-UHFFFAOYSA-N 0 0 211.315 2.386 10 0 BEAERN Cc1cc(Br)cc2[nH]nc(C=O)c21 ZINC000014984648 342890179 /nfs/dbraw/zinc/89/01/79/342890179.db2.gz KJXCFVGXKBJLRY-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN CN(c1ncncc1Br)C1CCC1 ZINC000133039255 398321781 /nfs/dbraw/zinc/32/17/81/398321781.db2.gz OUYPAZNFODFQKK-UHFFFAOYSA-N 0 0 242.120 2.228 10 0 BEAERN Cc1ccc(Br)c(NC=O)c1 ZINC000134866572 342909375 /nfs/dbraw/zinc/90/93/75/342909375.db2.gz RZYMGEAPYZNYTG-UHFFFAOYSA-N 0 0 214.062 2.326 10 0 BEAERN CCOC(=O)c1cc(C)c(OC)cc1OC ZINC000309174189 342903422 /nfs/dbraw/zinc/90/34/22/342903422.db2.gz SYPJEOHZSCQDNX-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN COC(=O)c1nc([C@@H]2CCCO2)sc1C ZINC000167687877 346874464 /nfs/dbraw/zinc/87/44/64/346874464.db2.gz OCVYDNBKUXUTQX-ZETCQYMHSA-N 0 0 227.285 2.090 10 0 BEAERN CSCCC(=O)Nc1cccnc1Cl ZINC000219819842 342926231 /nfs/dbraw/zinc/92/62/31/342926231.db2.gz AWONFHHNZARYCR-UHFFFAOYSA-N 0 0 230.720 2.427 10 0 BEAERN Clc1nnc(Cc2cccs2)o1 ZINC000157752340 342915051 /nfs/dbraw/zinc/91/50/51/342915051.db2.gz CECWSCSPHPRRJG-UHFFFAOYSA-N 0 0 200.650 2.375 10 0 BEAERN COc1cc(C)cc(Br)c1O ZINC000034516269 346872900 /nfs/dbraw/zinc/87/29/00/346872900.db2.gz SVTTWWUPRPXUDA-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N[C@H](C)C(C)C ZINC000036980819 342915287 /nfs/dbraw/zinc/91/52/87/342915287.db2.gz UFTRVJLFQQSVBA-GHMZBOCLSA-N 0 0 215.337 2.208 10 0 BEAERN COC(=O)c1nc(-c2cncs2)sc1C ZINC000167684229 346873210 /nfs/dbraw/zinc/87/32/10/346873210.db2.gz LZPGQPNPECTOSM-UHFFFAOYSA-N 0 0 240.309 2.362 10 0 BEAERN CC[C@@H]1OCC[C@H]1c1nnc(Cl)o1 ZINC000233970603 342916692 /nfs/dbraw/zinc/91/66/92/342916692.db2.gz DIXDPHTYKINTDC-RITPCOANSA-N 0 0 202.641 2.006 10 0 BEAERN CCCc1nccnc1NCC(F)(F)CC ZINC000624560423 344010660 /nfs/dbraw/zinc/01/06/60/344010660.db2.gz CVDCWWNYHDXLOX-UHFFFAOYSA-N 0 0 229.274 2.308 10 0 BEAERN CCc1cnc(NC(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000174199563 346878715 /nfs/dbraw/zinc/87/87/15/346878715.db2.gz IMHCHMCDEFQIFF-POYBYMJQSA-N 0 0 225.317 2.235 10 0 BEAERN Cc1csc(C[C@]2(F)CCC[NH2+]C2)n1 ZINC000158086971 398327821 /nfs/dbraw/zinc/32/78/21/398327821.db2.gz BWQCKYPNUKCPEA-SNVBAGLBSA-N 0 0 214.309 2.086 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CCOCC12CCC2 ZINC000152048901 398328073 /nfs/dbraw/zinc/32/80/73/398328073.db2.gz LQWRHEGZTYNTRE-GFCCVEGCSA-N 0 0 239.359 2.450 10 0 BEAERN COCCSCC(=O)c1cccc(F)c1 ZINC000037352330 342929556 /nfs/dbraw/zinc/92/95/56/342929556.db2.gz ORTQAVCDMOXIIV-UHFFFAOYSA-N 0 0 228.288 2.388 10 0 BEAERN C[C@@H]1Cc2c(c(F)c(F)cc2F)[C@@H]1O ZINC000235395059 398337267 /nfs/dbraw/zinc/33/72/67/398337267.db2.gz YNZALJAEJDYPFP-PHNJOPHVSA-N 0 0 202.175 2.330 10 0 BEAERN CC1(C)O[C@H]1C(=O)c1coc2ccc(O)cc12 ZINC000000163766 398332029 /nfs/dbraw/zinc/33/20/29/398332029.db2.gz DQRBAQAWVBMNKP-LBPRGKRZSA-N 0 0 232.235 2.499 10 0 BEAERN CNc1ccc(Cl)cc1C(=O)N(C)C ZINC000050723933 398333826 /nfs/dbraw/zinc/33/38/26/398333826.db2.gz YUKWZZPWEDMBCQ-UHFFFAOYSA-N 0 0 212.680 2.084 10 0 BEAERN NOCc1ccc(F)cc1C(F)(F)F ZINC000116916973 342938858 /nfs/dbraw/zinc/93/88/58/342938858.db2.gz ZBZKWNULAVSUFS-UHFFFAOYSA-N 0 0 209.142 2.235 10 0 BEAERN COC(=O)c1csc(NC(C)(C)C)n1 ZINC000167693548 346888769 /nfs/dbraw/zinc/88/87/69/346888769.db2.gz IQHDNPLUUOGLSH-UHFFFAOYSA-N 0 0 214.290 2.140 10 0 BEAERN CCCCN(C)C(=O)c1cccc(OC)c1O ZINC000019838860 342959635 /nfs/dbraw/zinc/95/96/35/342959635.db2.gz QVAHJHKAHNPTDR-UHFFFAOYSA-N 0 0 237.299 2.273 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1C ZINC000246934184 342959927 /nfs/dbraw/zinc/95/99/27/342959927.db2.gz MTZPLHASNSZGLO-OUCADQQQSA-N 0 0 247.338 2.364 10 0 BEAERN OCc1ccc2c(c1)ncn2[C@@H]1CCCCO1 ZINC000117291985 342962906 /nfs/dbraw/zinc/96/29/06/342962906.db2.gz SXMSPTVJRGTDFT-ZDUSSCGKSA-N 0 0 232.283 2.228 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CCCO[C@H](C)C1 ZINC000171422256 534930451 /nfs/dbraw/zinc/93/04/51/534930451.db2.gz PCOURLOLZKBTMY-VXGBXAGGSA-N 0 0 227.348 2.306 10 0 BEAERN CCC12CO[C@H](C(C)C)N1[C@@H](C(C)C)OC2 ZINC000019942964 342963928 /nfs/dbraw/zinc/96/39/28/342963928.db2.gz ZFNYRUONSKXJOW-VXGBXAGGSA-N 0 0 227.348 2.462 10 0 BEAERN Cc1ccc(C)c(C[C@]2(C(=O)[O-])CCC[NH2+]C2)c1 ZINC000041299221 178476965 /nfs/dbraw/zinc/47/69/65/178476965.db2.gz FKMCUIAFTBAYDK-OAHLLOKOSA-N 0 0 247.338 2.300 10 0 BEAERN CC1(C)OC(=O)C=C(c2cccc(C#N)c2)O1 ZINC000036373451 342979942 /nfs/dbraw/zinc/97/99/42/342979942.db2.gz RAVMZWQUVKTGBS-UHFFFAOYSA-N 0 0 229.235 2.209 10 0 BEAERN C=C(C)[C@H]1CC=C(C)C(=O)[C@H]1OCOC ZINC000036467275 343014542 /nfs/dbraw/zinc/01/45/42/343014542.db2.gz JOIKLCTUOMKGCA-PWSUYJOCSA-N 0 0 210.273 2.087 10 0 BEAERN Cc1cccc(CNCc2cscn2)n1 ZINC000048556836 343040047 /nfs/dbraw/zinc/04/00/47/343040047.db2.gz ATTDNEBTNOXAAP-UHFFFAOYSA-N 0 0 219.313 2.136 10 0 BEAERN FC(F)(F)c1ccn(-c2cc(Cl)ncn2)n1 ZINC000043298916 343040740 /nfs/dbraw/zinc/04/07/40/343040740.db2.gz BJTARVJZWSPSQK-UHFFFAOYSA-N 0 0 248.595 2.335 10 0 BEAERN Cc1[nH]nc(N)c1C(=O)Nc1cc(C)ccc1C ZINC000036939615 178482027 /nfs/dbraw/zinc/48/20/27/178482027.db2.gz KWIQTEUAIJJJDE-UHFFFAOYSA-N 0 0 244.298 2.169 10 0 BEAERN CC(=O)OCC(=O)c1cccc(C)c1Cl ZINC000308819694 346922825 /nfs/dbraw/zinc/92/28/25/346922825.db2.gz XOVZSWBRSLQPTQ-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN CCOC(=O)c1nc2cc(C)ccc2nc1C ZINC000118835579 343057937 /nfs/dbraw/zinc/05/79/37/343057937.db2.gz QUBWQNKETIZMAL-UHFFFAOYSA-N 0 0 230.267 2.423 10 0 BEAERN O=C(Nc1ccccn1)C(F)(F)C(F)(F)F ZINC000013208265 343073257 /nfs/dbraw/zinc/07/32/57/343073257.db2.gz JQYFAABAVUMTKR-UHFFFAOYSA-N 0 0 240.131 2.218 10 0 BEAERN CCOC(=O)[C@@H](C)Cc1ccc(O)cc1 ZINC000118890782 343059738 /nfs/dbraw/zinc/05/97/38/343059738.db2.gz PGFGDJRYGGZGOE-VIFPVBQESA-N 0 0 208.257 2.134 10 0 BEAERN CCCc1c(Cl)nc(N)nc1Cl ZINC000012649620 343063601 /nfs/dbraw/zinc/06/36/01/343063601.db2.gz UMCVUZJGRZJJQZ-UHFFFAOYSA-N 0 0 206.076 2.318 10 0 BEAERN CCCCOc1ccc(C(=O)OC)c(N)c1 ZINC000140001111 343068778 /nfs/dbraw/zinc/06/87/78/343068778.db2.gz WJZBIRKQESLYPC-UHFFFAOYSA-N 0 0 223.272 2.234 10 0 BEAERN O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@H]1F ZINC000144247289 362015287 /nfs/dbraw/zinc/01/52/87/362015287.db2.gz CBVCQKFZRIJARM-GHMZBOCLSA-N 0 0 233.242 2.173 10 0 BEAERN CNc1c2cnn(C3CCCC3)c2ncc1N ZINC000584881903 343079934 /nfs/dbraw/zinc/07/99/34/343079934.db2.gz HEBBXNVMFURVBG-UHFFFAOYSA-N 0 0 231.303 2.170 10 0 BEAERN CC(C)CNC(=O)c1cc(Cl)nc(Cl)n1 ZINC000584880152 343080219 /nfs/dbraw/zinc/08/02/19/343080219.db2.gz AHHYUWLSUCEAIS-UHFFFAOYSA-N 0 0 248.113 2.169 10 0 BEAERN CC(C)n1nc(C2OCCO2)c2ccc(N)cc21 ZINC000584880224 343080983 /nfs/dbraw/zinc/08/09/83/343080983.db2.gz HSJOIGSBVYHIIH-UHFFFAOYSA-N 0 0 247.298 2.245 10 0 BEAERN CCC(=C(N)N)C(=O)N[C@H](CC)c1ccccc1 ZINC000584880967 343081525 /nfs/dbraw/zinc/08/15/25/343081525.db2.gz TYWXIDDHXXORFL-VXGBXAGGSA-N 0 0 247.342 2.216 10 0 BEAERN CCC(=C(N)N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000584880961 343081631 /nfs/dbraw/zinc/08/16/31/343081631.db2.gz TYWXIDDHXXORFL-NEPJUHHUSA-N 0 0 247.342 2.216 10 0 BEAERN CC(=O)Cc1cc2c(C)ccnc2nc1C ZINC000584880711 343081684 /nfs/dbraw/zinc/08/16/84/343081684.db2.gz HVEDZOYFNCJODJ-UHFFFAOYSA-N 0 0 214.268 2.378 10 0 BEAERN O=Cc1c2c(nn1CC(F)(F)F)CCCC2 ZINC000584881206 343082047 /nfs/dbraw/zinc/08/20/47/343082047.db2.gz YWABKUAVZLODFX-UHFFFAOYSA-N 0 0 232.205 2.137 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(ccc(C)c2F)N1 ZINC000584881113 343082069 /nfs/dbraw/zinc/08/20/69/343082069.db2.gz CLJCXBWIPVLHPU-SNVBAGLBSA-N 0 0 223.247 2.034 10 0 BEAERN COc1ncc(C(=O)c2ccoc2C)s1 ZINC000306668516 362024962 /nfs/dbraw/zinc/02/49/62/362024962.db2.gz KIAFPRREOWIPNQ-UHFFFAOYSA-N 0 0 223.253 2.284 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(ccc(C)c2C)N1 ZINC000584882040 343083828 /nfs/dbraw/zinc/08/38/28/343083828.db2.gz YDOBIKSVYCSBCO-LBPRGKRZSA-N 0 0 219.284 2.203 10 0 BEAERN CC(C)CC(=O)Nc1ccc(C=O)cc1 ZINC000222976904 343076501 /nfs/dbraw/zinc/07/65/01/343076501.db2.gz UTRVXTCNRIAFER-UHFFFAOYSA-N 0 0 205.257 2.484 10 0 BEAERN O=C(Cc1cccs1)C1(O)CCCC1 ZINC000236474826 343098063 /nfs/dbraw/zinc/09/80/63/343098063.db2.gz LMERXLIBAKYMAP-UHFFFAOYSA-N 0 0 210.298 2.165 10 0 BEAERN CCOC(OCC)C(=O)C(CC)CC ZINC000043504192 343101325 /nfs/dbraw/zinc/10/13/25/343101325.db2.gz AHONWARPSHVYNV-UHFFFAOYSA-N 0 0 202.294 2.391 10 0 BEAERN C=Cc1cccc(C(=O)C(=O)OCC)c1 ZINC000043504644 343101751 /nfs/dbraw/zinc/10/17/51/343101751.db2.gz MLRAMIISVAPYOH-UHFFFAOYSA-N 0 0 204.225 2.075 10 0 BEAERN C[C@H]1OC(=O)N(c2ccnc(Cl)n2)C1(C)C ZINC000142047682 343103392 /nfs/dbraw/zinc/10/33/92/343103392.db2.gz FBFYMBJCSDYXRL-ZCFIWIBFSA-N 0 0 241.678 2.254 10 0 BEAERN O=c1c(O)c(O)cccc1-c1ccccc1 ZINC000013775878 343104073 /nfs/dbraw/zinc/10/40/73/343104073.db2.gz YWTYQKFAKCEALI-UHFFFAOYSA-N 0 0 214.220 2.125 10 0 BEAERN Cc1ccc2[nH]c3nc(=O)n(C)c-3cc2c1C ZINC000013824609 343105294 /nfs/dbraw/zinc/10/52/94/343105294.db2.gz PJRUEHQERHHYKI-UHFFFAOYSA-N 0 0 227.267 2.032 10 0 BEAERN CN1C(=O)CC[C@@H]2c3ccccc3CC[C@H]21 ZINC000013861377 343107094 /nfs/dbraw/zinc/10/70/94/343107094.db2.gz GREXNIICGIQJBG-CHWSQXEVSA-N 0 0 215.296 2.337 10 0 BEAERN CCCCCCSC1=CC(=O)N(C)C1=O ZINC000142621711 343111109 /nfs/dbraw/zinc/11/11/09/343111109.db2.gz LEFVWHTWGWCLHK-UHFFFAOYSA-N 0 0 227.329 2.182 10 0 BEAERN CCOC(=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000143188085 343118010 /nfs/dbraw/zinc/11/80/10/343118010.db2.gz KYECHMKNCJVJPQ-UHFFFAOYSA-N 0 0 243.646 2.354 10 0 BEAERN C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062750129 346927455 /nfs/dbraw/zinc/92/74/55/346927455.db2.gz GLEUJJKLVVLIQL-OUAUKWLOSA-N 0 0 211.305 2.114 10 0 BEAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1c1cccc(Cl)c1 ZINC000250649878 343123451 /nfs/dbraw/zinc/12/34/51/343123451.db2.gz WKLWDSQICCQFGI-KOLCDFICSA-N 0 0 239.702 2.417 10 0 BEAERN CC(C)(C)SCC(=O)Nc1ncccc1O ZINC000028024494 343126551 /nfs/dbraw/zinc/12/65/51/343126551.db2.gz LPWLFVPBYQVKLJ-UHFFFAOYSA-N 0 0 240.328 2.257 10 0 BEAERN Cc1ccc(Nc2cc(N(C)C)nc(N)n2)cc1 ZINC000144240372 343131474 /nfs/dbraw/zinc/13/14/74/343131474.db2.gz ZELCPRFPXKJDKC-UHFFFAOYSA-N 0 0 243.314 2.177 10 0 BEAERN Cc1cnc(Sc2nccnc2Cl)nc1 ZINC000043538496 343132340 /nfs/dbraw/zinc/13/23/40/343132340.db2.gz HIRLVXUHKQFPRG-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN CN(Cc1ccoc1)c1nccnc1Cl ZINC000043537952 343133410 /nfs/dbraw/zinc/13/34/10/343133410.db2.gz ACHHXNKHLSUTEO-UHFFFAOYSA-N 0 0 223.663 2.359 10 0 BEAERN COc1ccc2c(c1)[C@@H](N1CCCC1=O)CC2 ZINC000165069075 343134178 /nfs/dbraw/zinc/13/41/78/343134178.db2.gz PFOSMZZDJBMZMO-ZDUSSCGKSA-N 0 0 231.295 2.305 10 0 BEAERN Cc1n[nH]c2c1c(=O)[nH]c1ccc(Cl)cc21 ZINC000028956968 343135254 /nfs/dbraw/zinc/13/52/54/343135254.db2.gz AYVAHPLCRORVEN-UHFFFAOYSA-N 0 0 233.658 2.366 10 0 BEAERN C=CC(=O)Oc1ccc(C(=O)OCCC)cc1 ZINC000014969005 343136904 /nfs/dbraw/zinc/13/69/04/343136904.db2.gz CYNCOZVAZDIBKD-UHFFFAOYSA-N 0 0 234.251 2.345 10 0 BEAERN COc1ccc(-c2[nH]c(=O)cnc2C)c(C)c1 ZINC000144803724 343138683 /nfs/dbraw/zinc/13/86/83/343138683.db2.gz DUODERVXAUAHNW-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN CC(=O)Nc1cc(O)c(C(C)=O)cc1Cl ZINC000144877960 343141419 /nfs/dbraw/zinc/14/14/19/343141419.db2.gz OGIAEEFTOLBXOB-UHFFFAOYSA-N 0 0 227.647 2.207 10 0 BEAERN Cc1cc(-c2csc(=NN)[nH]2)c(C)o1 ZINC000043560047 343144327 /nfs/dbraw/zinc/14/43/27/343144327.db2.gz NWAHUVRCBATVLM-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN Cc1n[nH]c(C)c1CN[C@H](C)c1cscn1 ZINC000127840568 343178956 /nfs/dbraw/zinc/17/89/56/343178956.db2.gz DARCQNJRXKGRQK-SECBINFHSA-N 0 0 236.344 2.334 10 0 BEAERN CC(=O)Nc1cc(N)cc(-n2cccc2)c1 ZINC000145273409 343157598 /nfs/dbraw/zinc/15/75/98/343157598.db2.gz AOEYWYQJWTYHMU-UHFFFAOYSA-N 0 0 215.256 2.018 10 0 BEAERN CCSCC[C@H](C)Nc1cccnn1 ZINC000127340605 343170171 /nfs/dbraw/zinc/17/01/71/343170171.db2.gz TWJXRMXJILKTIN-VIFPVBQESA-N 0 0 211.334 2.420 10 0 BEAERN c1cnnc(NCC2CCSCC2)c1 ZINC000127189881 343172317 /nfs/dbraw/zinc/17/23/17/343172317.db2.gz SZINNVJSAGQGTJ-UHFFFAOYSA-N 0 0 209.318 2.032 10 0 BEAERN COCCn1ccc2cc(OC)ccc21 ZINC000128569425 343174880 /nfs/dbraw/zinc/17/48/80/343174880.db2.gz JLKYYRBANXBKSQ-UHFFFAOYSA-N 0 0 205.257 2.296 10 0 BEAERN COc1ccc2c(c1)O[C@@H]([C@@H]1CCCO1)CC2=O ZINC000164968522 343208256 /nfs/dbraw/zinc/20/82/56/343208256.db2.gz ZSDRPJOMLRMERL-GXTWGEPZSA-N 0 0 248.278 2.208 10 0 BEAERN CC[C@@H](C)C(=O)Nc1cc(Cl)ncn1 ZINC000233971187 343215820 /nfs/dbraw/zinc/21/58/20/343215820.db2.gz PXJFGBSIUHVWSD-ZCFIWIBFSA-N 0 0 213.668 2.115 10 0 BEAERN CCc1cc2cc(OC)ccc2nc1N ZINC000032099274 343229565 /nfs/dbraw/zinc/22/95/65/343229565.db2.gz GDUAUDCEJSHDON-UHFFFAOYSA-N 0 0 202.257 2.388 10 0 BEAERN CCc1cc(C(=O)N(C)Cc2ccc(C)o2)[nH]n1 ZINC000032194816 343230724 /nfs/dbraw/zinc/23/07/24/343230724.db2.gz UGTOBWSARPIROG-UHFFFAOYSA-N 0 0 247.298 2.146 10 0 BEAERN C[C@@]1([C@@H](NN)C2CCCC2)CCCS1 ZINC000127128272 343233395 /nfs/dbraw/zinc/23/33/95/343233395.db2.gz IXICWNWGFOEUJH-QWRGUYRKSA-N 0 0 214.378 2.294 10 0 BEAERN C/C=C/C[C@@H](Cc1ccccc1)C(N)=O ZINC000238016776 343238030 /nfs/dbraw/zinc/23/80/30/343238030.db2.gz GNUHQRXHWQAVAC-JDGPPOGSSA-N 0 0 203.285 2.297 10 0 BEAERN CC[C@H](C)CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000139770369 136277273 /nfs/dbraw/zinc/27/72/73/136277273.db2.gz WLCFAZPTAZLJRT-DCAQKATOSA-N 0 0 213.321 2.106 10 0 BEAERN CC(C)(C)OC(=O)Nc1ncc(F)cc1N ZINC000238084707 343240856 /nfs/dbraw/zinc/24/08/56/343240856.db2.gz IRXIZPBVMMAMKJ-UHFFFAOYSA-N 0 0 227.239 2.150 10 0 BEAERN CCCCCCNC(=O)[C@@H]1CCCC1=O ZINC000238240860 343252434 /nfs/dbraw/zinc/25/24/34/343252434.db2.gz YTGLHFFYJGSGCH-SNVBAGLBSA-N 0 0 211.305 2.052 10 0 BEAERN Cc1ccc(C)c2c1NC(=O)C21O[C@H](C)[C@@H](C)O1 ZINC000026463624 178506033 /nfs/dbraw/zinc/50/60/33/178506033.db2.gz JMDKBWFVNOCQPB-NXEZZACHSA-N 0 0 247.294 2.232 10 0 BEAERN Cc1ccc(CNc2nnc(N)s2)cc1 ZINC000033413720 343253485 /nfs/dbraw/zinc/25/34/85/343253485.db2.gz GYSYUVHFIRQOIJ-UHFFFAOYSA-N 0 0 220.301 2.041 10 0 BEAERN CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000132409706 343223865 /nfs/dbraw/zinc/22/38/65/343223865.db2.gz ZQCVFJPSYDNERE-KKOKHZNYSA-N 0 0 240.347 2.042 10 0 BEAERN CCCCOc1nc2c(cc1C(N)=O)CCCC2 ZINC000033895403 343262614 /nfs/dbraw/zinc/26/26/14/343262614.db2.gz PJHQNYWOGRNLEA-UHFFFAOYSA-N 0 0 248.326 2.238 10 0 BEAERN CC(C)[C@H](C)CC(=O)Nc1ccc2nncn2c1 ZINC000179634138 534936246 /nfs/dbraw/zinc/93/62/46/534936246.db2.gz XKWQDBBICYDVMJ-SNVBAGLBSA-N 0 0 246.314 2.350 10 0 BEAERN C[C@@H](O)c1ccccc1I ZINC000034336867 343268436 /nfs/dbraw/zinc/26/84/36/343268436.db2.gz CAHJBZUREGQOFC-ZCFIWIBFSA-N 0 0 248.063 2.345 10 0 BEAERN C[C@H]1CC(=O)Nc2cc(Cl)ccc2N1 ZINC000034476265 343271926 /nfs/dbraw/zinc/27/19/26/343271926.db2.gz MLNJBEDBXIHZNJ-LURJTMIESA-N 0 0 210.664 2.483 10 0 BEAERN O=C(CCCCCO)OCc1ccccc1 ZINC000034499510 343273419 /nfs/dbraw/zinc/27/34/19/343273419.db2.gz OODHJPDDRCGXMP-UHFFFAOYSA-N 0 0 222.284 2.283 10 0 BEAERN O=C(OCc1ccccc1)N1CC[C@H](F)C1 ZINC000034496973 343273518 /nfs/dbraw/zinc/27/35/18/343273518.db2.gz DGQYMNWQXVFIBE-NSHDSACASA-N 0 0 223.247 2.367 10 0 BEAERN CCc1c2ccccc2[nH]c(=O)c1C(C)=O ZINC000034544059 343274556 /nfs/dbraw/zinc/27/45/56/343274556.db2.gz CSERVQREEAKIJF-UHFFFAOYSA-N 0 0 215.252 2.293 10 0 BEAERN CCOC(=O)OCC(=O)c1ccccc1 ZINC000139127624 343277474 /nfs/dbraw/zinc/27/74/74/343277474.db2.gz UGZFJXVSUFTOIB-UHFFFAOYSA-N 0 0 208.213 2.042 10 0 BEAERN CC(C)(C)c1nnc2ccc(Cl)nn21 ZINC000034962789 343282006 /nfs/dbraw/zinc/28/20/06/343282006.db2.gz OIAUBHCLFFRPGV-UHFFFAOYSA-N 0 0 210.668 2.075 10 0 BEAERN C[C@@H](NC(=O)NC[C@@]1(C)CCCO1)C(C)(C)C ZINC000122298312 343319671 /nfs/dbraw/zinc/31/96/71/343319671.db2.gz WKUNTMGLORIUSA-ZWNOBZJWSA-N 0 0 242.363 2.289 10 0 BEAERN CCOc1cc(N)cc(OCC)c1OCC ZINC000036684063 343322472 /nfs/dbraw/zinc/32/24/72/343322472.db2.gz WQTFKYLFKOBGSG-UHFFFAOYSA-N 0 0 225.288 2.465 10 0 BEAERN Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000036683535 343322533 /nfs/dbraw/zinc/32/25/33/343322533.db2.gz JESIGGUZBUVBCP-UHFFFAOYSA-N 0 0 216.206 2.147 10 0 BEAERN COC(=O)C(=O)c1csc2ccccc12 ZINC000165420099 343294135 /nfs/dbraw/zinc/29/41/35/343294135.db2.gz VLPJNVBYSDVPMM-UHFFFAOYSA-N 0 0 220.249 2.257 10 0 BEAERN COC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000165429220 343314396 /nfs/dbraw/zinc/31/43/96/343314396.db2.gz WLGSCYIUUCKGLN-UHFFFAOYSA-N 0 0 248.065 2.105 10 0 BEAERN C[C@@H](O)c1cnc(-c2ccccc2)nc1N(C)C ZINC000147264680 343372197 /nfs/dbraw/zinc/37/21/97/343372197.db2.gz TUUWKLABOSFGFZ-SNVBAGLBSA-N 0 0 243.310 2.263 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nsnc1Cl ZINC000234152920 343348405 /nfs/dbraw/zinc/34/84/05/343348405.db2.gz RINBFDFLGACHCY-WHFBIAKZSA-N 0 0 203.698 2.402 10 0 BEAERN CCOc1cccc(CNCc2nccn2C)c1 ZINC000037679917 343351293 /nfs/dbraw/zinc/35/12/93/343351293.db2.gz DNTGCRSTKUELIE-UHFFFAOYSA-N 0 0 245.326 2.109 10 0 BEAERN N[C@@H](c1cnc2ccccc2c1)c1cnccn1 ZINC000037761877 343353996 /nfs/dbraw/zinc/35/39/96/343353996.db2.gz VPODSAXKJBLBHK-AWEZNQCLSA-N 0 0 236.278 2.073 10 0 BEAERN C[C@@H](NCc1ccnn1C)c1ccccc1F ZINC000037764624 343354313 /nfs/dbraw/zinc/35/43/13/343354313.db2.gz PZPSQEACVMVISR-SNVBAGLBSA-N 0 0 233.290 2.410 10 0 BEAERN CC[C@H]1OCC[C@@H]1c1nc(Cl)ns1 ZINC000234106014 343354519 /nfs/dbraw/zinc/35/45/19/343354519.db2.gz DXFSGIIZRKJDGJ-NTSWFWBYSA-N 0 0 218.709 2.474 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOCC12CCC2 ZINC000335672215 136313503 /nfs/dbraw/zinc/31/35/03/136313503.db2.gz GKLLCZWPJVJRMW-NWDGAFQWSA-N 0 0 237.343 2.204 10 0 BEAERN CCOc1cc2c(c(NC)c1)C[C@H](C)O2 ZINC000039099486 343383008 /nfs/dbraw/zinc/38/30/08/343383008.db2.gz SJQHFLQOHFSEAJ-QMMMGPOBSA-N 0 0 207.273 2.450 10 0 BEAERN CC[C@H]1N=C(c2ccccc2)C(=O)S1 ZINC000039101057 343384132 /nfs/dbraw/zinc/38/41/32/343384132.db2.gz CWZXHBZBDMAHDB-VIFPVBQESA-N 0 0 205.282 2.485 10 0 BEAERN Cc1ccncc1-c1c(N)cccc1O ZINC000039117569 343385362 /nfs/dbraw/zinc/38/53/62/343385362.db2.gz YJLXZONKWTZULF-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN Nc1nc2ccc3nc(N)sc3c2s1 ZINC000039192300 343386871 /nfs/dbraw/zinc/38/68/71/343386871.db2.gz PZIJVVZKCURJTA-UHFFFAOYSA-N 0 0 222.298 2.070 10 0 BEAERN CC(=O)Nc1ccc(Cl)nc1Cl ZINC000039254037 343387731 /nfs/dbraw/zinc/38/77/31/343387731.db2.gz HDVOIMDTRXHDQW-UHFFFAOYSA-N 0 0 205.044 2.347 10 0 BEAERN CO[C@]1(C)CC(=O)N(c2ccc(Cl)cc2)O1 ZINC000039250769 343387878 /nfs/dbraw/zinc/38/78/78/343387878.db2.gz KPYDTKLDVPQZIJ-NSHDSACASA-N 0 0 241.674 2.371 10 0 BEAERN CCCCCCOC(=O)n1ccccc1=O ZINC000148928522 343411923 /nfs/dbraw/zinc/41/19/23/343411923.db2.gz DZLJFRPISRQEDS-UHFFFAOYSA-N 0 0 223.272 2.413 10 0 BEAERN CC[C@H]1C[C@H]1Nc1cc(Br)ncn1 ZINC000234127667 343424524 /nfs/dbraw/zinc/42/45/24/343424524.db2.gz KJYSXHVIFQPPGF-NKWVEPMBSA-N 0 0 242.120 2.450 10 0 BEAERN Cc1cn2cc(NC(=O)C(C)C)ccc2n1 ZINC000041304816 343418203 /nfs/dbraw/zinc/41/82/03/343418203.db2.gz AACLUQLRYITHJN-UHFFFAOYSA-N 0 0 217.272 2.237 10 0 BEAERN CNc1ncnc2c(Br)cccc12 ZINC000041474478 343420516 /nfs/dbraw/zinc/42/05/16/343420516.db2.gz HNNLWPALAGFIEH-UHFFFAOYSA-N 0 0 238.088 2.434 10 0 BEAERN COC(=O)c1cc2cccnc2c(Cl)c1N ZINC000202302849 343421112 /nfs/dbraw/zinc/42/11/12/343421112.db2.gz RWYPQEVUFIMHEN-UHFFFAOYSA-N 0 0 236.658 2.257 10 0 BEAERN CC(=O)c1cc(CO)c(O)c(C(C)(C)C)c1 ZINC000149363667 343425654 /nfs/dbraw/zinc/42/56/54/343425654.db2.gz ZDSMKZWLXKCDLB-UHFFFAOYSA-N 0 0 222.284 2.385 10 0 BEAERN Cc1nsc(C)c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000335897105 136359063 /nfs/dbraw/zinc/35/90/63/136359063.db2.gz LIUWDVRSLJDRCU-NXEZZACHSA-N 0 0 236.340 2.384 10 0 BEAERN Cc1nc(N2CCOCC(F)(F)C2)sc1C ZINC000335898856 136359899 /nfs/dbraw/zinc/35/98/99/136359899.db2.gz PQRMYLBHAKTPOL-UHFFFAOYSA-N 0 0 248.298 2.232 10 0 BEAERN CCOC(=O)[C@@H](C)CC(=O)c1ccc(O)cc1 ZINC000202710084 343456743 /nfs/dbraw/zinc/45/67/43/343456743.db2.gz QSEAEFJIKLPWEJ-VIFPVBQESA-N 0 0 236.267 2.164 10 0 BEAERN CC(C)Nc1nnc(Br)s1 ZINC000060311925 343479001 /nfs/dbraw/zinc/47/90/01/343479001.db2.gz NPCNNGSDTDHAAZ-UHFFFAOYSA-N 0 0 222.111 2.121 10 0 BEAERN Cc1ccncc1N[C@H]1CCCOCC1 ZINC000083425740 343484850 /nfs/dbraw/zinc/48/48/50/343484850.db2.gz QSCZLGUKAKRAQF-NSHDSACASA-N 0 0 206.289 2.371 10 0 BEAERN Cc1ccncc1N[C@@H]1CCCOCC1 ZINC000083425739 343484887 /nfs/dbraw/zinc/48/48/87/343484887.db2.gz QSCZLGUKAKRAQF-LLVKDONJSA-N 0 0 206.289 2.371 10 0 BEAERN Cc1c(Cl)nc2ccc(Cl)nn12 ZINC000149932186 343461792 /nfs/dbraw/zinc/46/17/92/343461792.db2.gz OTKILFZDYGSFMD-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN COC(=O)c1cc(C2CCCCC2)ncn1 ZINC000261138531 349814519 /nfs/dbraw/zinc/81/45/19/349814519.db2.gz OKVWTHURTDPSDA-UHFFFAOYSA-N 0 0 220.272 2.311 10 0 BEAERN CCOC(=O)C[C@H](OC)c1cccc(O)c1 ZINC000261119604 349815031 /nfs/dbraw/zinc/81/50/31/349815031.db2.gz GOFAKGXALSFMFF-NSHDSACASA-N 0 0 224.256 2.033 10 0 BEAERN COC(=O)N1CCCC[C@H](c2ccccn2)C1 ZINC000616629067 343526162 /nfs/dbraw/zinc/52/61/62/343526162.db2.gz NYZWEGODFCJCFJ-NSHDSACASA-N 0 0 234.299 2.418 10 0 BEAERN COC(=S)N=c1[nH]c2ccccc2s1 ZINC000045236035 343526398 /nfs/dbraw/zinc/52/63/98/343526398.db2.gz FCLIWOCHZAADOX-UHFFFAOYSA-N 0 0 224.310 2.061 10 0 BEAERN Cc1ccc2sc([S@@](C)=O)nc2c1 ZINC000045238150 343527220 /nfs/dbraw/zinc/52/72/20/343527220.db2.gz JRZYATGCJSCBLO-ZDUSSCGKSA-N 0 0 211.311 2.342 10 0 BEAERN CSCC(=O)N(C)Cc1cccc(F)c1 ZINC000045672298 343532457 /nfs/dbraw/zinc/53/24/57/343532457.db2.gz YVUYBDHGGVPWJQ-UHFFFAOYSA-N 0 0 227.304 2.147 10 0 BEAERN Cc1c(N2CCCC2)ccc2ccc(=O)[nH]c21 ZINC000045809447 343534939 /nfs/dbraw/zinc/53/49/39/343534939.db2.gz INVDZJJOHSNJKU-UHFFFAOYSA-N 0 0 228.295 2.437 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1c1cnoc1 ZINC000616678975 343535721 /nfs/dbraw/zinc/53/57/21/343535721.db2.gz AJRDHVIPFWWWLG-CQSZACIVSA-N 0 0 242.278 2.169 10 0 BEAERN CCN(C(=O)c1n[nH]c2ccc(N)cc21)C(C)C ZINC000048278002 343575454 /nfs/dbraw/zinc/57/54/54/343575454.db2.gz HTFGOERCQNBEKY-UHFFFAOYSA-N 0 0 246.314 2.016 10 0 BEAERN C[C@@H]1C[C@H](C)N(Cc2nnc(Cl)s2)C1 ZINC000157780814 343552303 /nfs/dbraw/zinc/55/23/03/343552303.db2.gz KIYXFUSGHSYDIF-RQJHMYQMSA-N 0 0 231.752 2.422 10 0 BEAERN C[C@@H]1C[C@@H](C)N(Cc2nnc(Cl)s2)C1 ZINC000157781128 343554746 /nfs/dbraw/zinc/55/47/46/343554746.db2.gz KIYXFUSGHSYDIF-RNFRBKRXSA-N 0 0 231.752 2.422 10 0 BEAERN FC(F)(F)CNc1cc(Cl)ncn1 ZINC000048631186 343585083 /nfs/dbraw/zinc/58/50/83/343585083.db2.gz AFJWHMUIRIKVHZ-UHFFFAOYSA-N 0 0 211.574 2.104 10 0 BEAERN COc1cc(N2CCC[C@@H]2c2ccco2)ncn1 ZINC000124847997 343586185 /nfs/dbraw/zinc/58/61/85/343586185.db2.gz MEASRMZAEOBPPV-SNVBAGLBSA-N 0 0 245.282 2.420 10 0 BEAERN N[C@@H](c1cnns1)c1ccc(Cl)cc1 ZINC000135042508 343587347 /nfs/dbraw/zinc/58/73/47/343587347.db2.gz RXZJBEJVPASMDB-SECBINFHSA-N 0 0 225.704 2.240 10 0 BEAERN Cc1ccccc1Cc1nc[nH]c(=O)c1C ZINC000167193344 343587850 /nfs/dbraw/zinc/58/78/50/343587850.db2.gz IKIZUMXVKWOESN-UHFFFAOYSA-N 0 0 214.268 2.390 10 0 BEAERN CC(C)(C)[S@@](=O)NC1CCCCC1 ZINC000204778199 343590312 /nfs/dbraw/zinc/59/03/12/343590312.db2.gz FOSDVDCBCWKMQF-CYBMUJFWSA-N 0 0 203.351 2.371 10 0 BEAERN COCCOc1cc(F)c(Cl)cc1N ZINC000085104906 343580154 /nfs/dbraw/zinc/58/01/54/343580154.db2.gz DGRDPACWUDQNCF-UHFFFAOYSA-N 0 0 219.643 2.087 10 0 BEAERN c1cc2c(s1)[C@H](c1cscn1)NCC2 ZINC000712526237 537790592 /nfs/dbraw/zinc/79/05/92/537790592.db2.gz IISXSFKNEVONOB-VIFPVBQESA-N 0 0 222.338 2.440 10 0 BEAERN COC(=O)[C@H](C)Nc1cc(C)ccc1F ZINC000043626740 343617568 /nfs/dbraw/zinc/61/75/68/343617568.db2.gz GPHODMDPGDHJRP-QMMMGPOBSA-N 0 0 211.236 2.108 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)c1cccnc1 ZINC000234171894 343598400 /nfs/dbraw/zinc/59/84/00/343598400.db2.gz OVMPLANLJZDFMI-GHMZBOCLSA-N 0 0 205.257 2.079 10 0 BEAERN c1ccc(CNN2CSCCSC2)cc1 ZINC000205662820 343641392 /nfs/dbraw/zinc/64/13/92/343641392.db2.gz DDRZNBGUTGXTOS-UHFFFAOYSA-N 0 0 240.397 2.388 10 0 BEAERN CCC(C)(C)Cn1c(C)c(N)ccc1=O ZINC000713208135 537797655 /nfs/dbraw/zinc/79/76/55/537797655.db2.gz RQWZNUWVJZZJCD-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN NNc1ccnc(-c2ccc(Cl)s2)n1 ZINC000051169014 343623188 /nfs/dbraw/zinc/62/31/88/343623188.db2.gz ICHGDQSZVGDLEK-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN Cc1ccc([C@H](C)Nc2cc(C#N)ncn2)o1 ZINC000379782840 343624748 /nfs/dbraw/zinc/62/47/48/343624748.db2.gz XXJMHEHVKKYPJB-VIFPVBQESA-N 0 0 228.255 2.423 10 0 BEAERN CC(=O)Cc1oc2c(c1C)C(=O)CCC2 ZINC000205417014 343627049 /nfs/dbraw/zinc/62/70/49/343627049.db2.gz VDPFUEGVCBZRHK-UHFFFAOYSA-N 0 0 206.241 2.239 10 0 BEAERN CCOC(=O)c1cnc(N[C@@H]2C[C@@H]2C)s1 ZINC000309067289 349825176 /nfs/dbraw/zinc/82/51/76/349825176.db2.gz AFYOBKXDGPHAIP-NKWVEPMBSA-N 0 0 226.301 2.140 10 0 BEAERN C[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000196301263 343630486 /nfs/dbraw/zinc/63/04/86/343630486.db2.gz DZRFOKQUFQQYNV-SSDOTTSWSA-N 0 0 223.659 2.239 10 0 BEAERN C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379926775 343656363 /nfs/dbraw/zinc/65/63/63/343656363.db2.gz LXTWBMBUDRWFLS-HHKYUTTNSA-N 0 0 225.357 2.043 10 0 BEAERN COC(=O)c1ccnc(C)c1OC(F)(F)F ZINC000309512460 343661839 /nfs/dbraw/zinc/66/18/39/343661839.db2.gz RBFFGGLHQGGFMO-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cn1c(CN2CCCCC2)nnc1C1CCC1 ZINC000125882572 343666574 /nfs/dbraw/zinc/66/65/74/343666574.db2.gz OGNSEPWNYVAMLQ-UHFFFAOYSA-N 0 0 234.347 2.069 10 0 BEAERN Cc1cccc(NC(=O)N[C@@H]2CCC[C@H](O)C2)c1 ZINC000077103027 343666770 /nfs/dbraw/zinc/66/67/70/343666770.db2.gz DQRZFJPRBISOSK-OLZOCXBDSA-N 0 0 248.326 2.420 10 0 BEAERN Cc1cccc(NC(=O)N[C@H]2CCC[C@H](O)C2)c1 ZINC000077103028 343666965 /nfs/dbraw/zinc/66/69/65/343666965.db2.gz DQRZFJPRBISOSK-STQMWFEESA-N 0 0 248.326 2.420 10 0 BEAERN C[C@@H](C1CC1)n1ncc(Br)c1N ZINC000043666207 343697038 /nfs/dbraw/zinc/69/70/38/343697038.db2.gz ZFNXIBIVKKJJDB-YFKPBYRVSA-N 0 0 230.109 2.199 10 0 BEAERN C[C@@H]1SCC[C@@]1(O)Cc1ccccc1 ZINC000107149897 343706822 /nfs/dbraw/zinc/70/68/22/343706822.db2.gz DUXWLRMHMNZCFH-CMPLNLGQSA-N 0 0 208.326 2.486 10 0 BEAERN Nc1cccnc1N1CCC[C@H]1c1cccnc1 ZINC000036132043 343681814 /nfs/dbraw/zinc/68/18/14/343681814.db2.gz WBBZCFJDYHAAGZ-ZDUSSCGKSA-N 0 0 240.310 2.400 10 0 BEAERN NNc1ccnc2c(Cl)cc(F)cc12 ZINC000051151970 346963151 /nfs/dbraw/zinc/96/31/51/346963151.db2.gz LBSHKZBQSQUDTO-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN C/C=C/C(=O)OCc1ccccc1OC ZINC000060502940 343718705 /nfs/dbraw/zinc/71/87/05/343718705.db2.gz DBFNUHSCRKRIAV-ZZXKWVIFSA-N 0 0 206.241 2.315 10 0 BEAERN C[C@H](NN)c1cc2c(s1)CCSC2 ZINC000127153440 343772218 /nfs/dbraw/zinc/77/22/18/343772218.db2.gz MEAIJRYOIMAZSR-LURJTMIESA-N 0 0 214.359 2.062 10 0 BEAERN CCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000074912997 534950471 /nfs/dbraw/zinc/95/04/71/534950471.db2.gz CNFCBOKSLBOSAT-LLVKDONJSA-N 0 0 219.284 2.427 10 0 BEAERN FC(F)(F)CNc1ccc(Cl)nn1 ZINC000021059703 343775646 /nfs/dbraw/zinc/77/56/46/343775646.db2.gz ZOUCEAGYDFAIKL-UHFFFAOYSA-N 0 0 211.574 2.104 10 0 BEAERN O=Cc1ccc(-c2cncnc2)cc1F ZINC000026543866 343776791 /nfs/dbraw/zinc/77/67/91/343776791.db2.gz HVDQDOVHFOKSDL-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN OC[C@@H](Nc1nccnc1Cl)c1ccccc1 ZINC000063012025 343747471 /nfs/dbraw/zinc/74/74/71/343747471.db2.gz KUKKCJOILAIKPW-SNVBAGLBSA-N 0 0 249.701 2.276 10 0 BEAERN OC[C@H](Nc1nccnc1Cl)c1ccccc1 ZINC000063012026 343747495 /nfs/dbraw/zinc/74/74/95/343747495.db2.gz KUKKCJOILAIKPW-JTQLQIEISA-N 0 0 249.701 2.276 10 0 BEAERN COc1cc(OC)cc([C@H]2NCCS2)c1 ZINC000035416541 343779767 /nfs/dbraw/zinc/77/97/67/343779767.db2.gz SWDFKTPJWKUBOS-NSHDSACASA-N 0 0 225.313 2.039 10 0 BEAERN Nc1cc(-c2ccco2)nc(C2CC2)n1 ZINC000044262899 343780896 /nfs/dbraw/zinc/78/08/96/343780896.db2.gz PUKIUHXFMDJPKG-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN FC(F)(F)CNc1ccnc(Cl)n1 ZINC000051849387 343788891 /nfs/dbraw/zinc/78/88/91/343788891.db2.gz CWBYVXHXALFFFB-UHFFFAOYSA-N 0 0 211.574 2.104 10 0 BEAERN CCOC[C@@H]1CCCCN1c1ncccc1N ZINC000313233653 343791452 /nfs/dbraw/zinc/79/14/52/343791452.db2.gz CETALFSSBXRFDK-NSHDSACASA-N 0 0 235.331 2.059 10 0 BEAERN [NH3+]Cc1nc(C2CCCC2)n2ccccc12 ZINC000212371357 343791760 /nfs/dbraw/zinc/79/17/60/343791760.db2.gz PPCYZLCFGQDBDG-UHFFFAOYSA-N 0 0 215.300 2.451 10 0 BEAERN O=Cc1cc(C(F)(F)F)nn1CC1CC1 ZINC000219414656 343793103 /nfs/dbraw/zinc/79/31/03/343793103.db2.gz LKWLEUAZPMFNIQ-UHFFFAOYSA-N 0 0 218.178 2.124 10 0 BEAERN Cc1sc(-c2ccncc2F)nc1N ZINC000131924583 344038149 /nfs/dbraw/zinc/03/81/49/344038149.db2.gz ATLIRVGSBGYDAN-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Nc1ccc(N2CC[C@@H](C(F)(F)F)C2)nc1 ZINC000304399237 343796878 /nfs/dbraw/zinc/79/68/78/343796878.db2.gz MKFDGQQTFATWIN-SSDOTTSWSA-N 0 0 231.221 2.052 10 0 BEAERN CCOC(=O)c1cc(C2CC2)sc1N ZINC000409426641 343798512 /nfs/dbraw/zinc/79/85/12/343798512.db2.gz RORPLLDQHDWZHY-UHFFFAOYSA-N 0 0 211.286 2.384 10 0 BEAERN C[C@H](C(=O)[O-])[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000409427267 343800535 /nfs/dbraw/zinc/80/05/35/343800535.db2.gz IMXHXIJHFGVYBL-ZYHUDNBSSA-N 0 0 234.299 2.082 10 0 BEAERN COC1(C(F)(F)F)CN(c2ccccc2N)C1 ZINC000409432787 343827562 /nfs/dbraw/zinc/82/75/62/343827562.db2.gz LVWNKBZWRFLKGN-UHFFFAOYSA-N 0 0 246.232 2.036 10 0 BEAERN CC(C)Cn1cccc1-c1noc([C@@H](C)N)n1 ZINC000409421986 343812276 /nfs/dbraw/zinc/81/22/76/343812276.db2.gz AXGKCGVPPLGQLB-SECBINFHSA-N 0 0 234.303 2.214 10 0 BEAERN CC(C)Cn1cccc1-c1noc([C@H](C)N)n1 ZINC000409421987 343812348 /nfs/dbraw/zinc/81/23/48/343812348.db2.gz AXGKCGVPPLGQLB-VIFPVBQESA-N 0 0 234.303 2.214 10 0 BEAERN F[C@@H]1CN[C@H](c2nc(C3CCCC3)no2)C1 ZINC000409423411 343815177 /nfs/dbraw/zinc/81/51/77/343815177.db2.gz NZDTWGJVZPFTEM-IUCAKERBSA-N 0 0 225.267 2.100 10 0 BEAERN F[C@H]1CN[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000409423412 343815348 /nfs/dbraw/zinc/81/53/48/343815348.db2.gz NZDTWGJVZPFTEM-RKDXNWHRSA-N 0 0 225.267 2.100 10 0 BEAERN Cc1ccn2cc(-c3cccc(N)c3)nc2n1 ZINC000409425574 343819888 /nfs/dbraw/zinc/81/98/88/343819888.db2.gz AHFBVFDQWAUGGG-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN C[C@@H](Oc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000409432135 343825291 /nfs/dbraw/zinc/82/52/91/343825291.db2.gz UHSWQCFZZHVQQF-MRVPVSSYSA-N 0 0 232.239 2.028 10 0 BEAERN COC[C@H]1CN(c2ccccc2N)CC1(C)C ZINC000409432453 343826567 /nfs/dbraw/zinc/82/65/67/343826567.db2.gz LIXSHKFFSZJSOT-LLVKDONJSA-N 0 0 234.343 2.378 10 0 BEAERN COC[C@H]1CCCCN1c1ccccc1N ZINC000396009645 343810814 /nfs/dbraw/zinc/81/08/14/343810814.db2.gz QQNVQMJBIWWXAE-LLVKDONJSA-N 0 0 220.316 2.274 10 0 BEAERN CCc1[nH]nc(-c2ccoc2)c1C(=O)OC ZINC000409440697 343853478 /nfs/dbraw/zinc/85/34/78/343853478.db2.gz NYIOWNHVUANFLS-UHFFFAOYSA-N 0 0 220.228 2.019 10 0 BEAERN CCc1n[nH]c(CC)c1CCC(=N)OC ZINC000409440981 343854524 /nfs/dbraw/zinc/85/45/24/343854524.db2.gz OWOJVHMICBOJBH-UHFFFAOYSA-N 0 0 209.293 2.091 10 0 BEAERN CCc1cc(-c2cccs2)nn1CCO ZINC000409441044 343855122 /nfs/dbraw/zinc/85/51/22/343855122.db2.gz PMWVJTIVGPGGRA-UHFFFAOYSA-N 0 0 222.313 2.166 10 0 BEAERN COc1nn(C)cc1N[C@H]1CC[C@@H]1C1CC1 ZINC000336697231 537825166 /nfs/dbraw/zinc/82/51/66/537825166.db2.gz MFONAFWFLSEHCD-ZJUUUORDSA-N 0 0 221.304 2.029 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](CC)C1CCSCC1 ZINC000409435954 343836811 /nfs/dbraw/zinc/83/68/11/343836811.db2.gz XLURHAIZYMJCTN-SNVBAGLBSA-N 0 0 231.361 2.067 10 0 BEAERN c1cncc(-c2n[nH]c3c2CSCC3)c1 ZINC000409436843 343841372 /nfs/dbraw/zinc/84/13/72/343841372.db2.gz BIUWWTXANHFALH-UHFFFAOYSA-N 0 0 217.297 2.261 10 0 BEAERN OCc1cn(CC2CC2)nc1-c1ccccc1 ZINC000409436863 343841448 /nfs/dbraw/zinc/84/14/48/343841448.db2.gz BQUYZGSHHLPNDD-UHFFFAOYSA-N 0 0 228.295 2.452 10 0 BEAERN O=Cc1cn(CC2CC2)nc1-c1ccccn1 ZINC000409436844 343841453 /nfs/dbraw/zinc/84/14/53/343841453.db2.gz BIWOPCZVRHVQTI-UHFFFAOYSA-N 0 0 227.267 2.168 10 0 BEAERN O=c1[nH]c(=S)cc(-c2cccs2)[nH]1 ZINC000409436989 343841738 /nfs/dbraw/zinc/84/17/38/343841738.db2.gz AUCBPMYZPQDRLT-UHFFFAOYSA-N 0 0 210.283 2.199 10 0 BEAERN CCn1c(=O)[nH]c(=S)cc1-c1cccs1 ZINC000409436962 343841925 /nfs/dbraw/zinc/84/19/25/343841925.db2.gz AQLWYQVLLWRZTI-UHFFFAOYSA-N 0 0 238.337 2.280 10 0 BEAERN CC(C)n1ccn2nc(-c3cnccn3)cc21 ZINC000409437234 343842781 /nfs/dbraw/zinc/84/27/81/343842781.db2.gz FBJWRTJPCAAZEZ-UHFFFAOYSA-N 0 0 227.271 2.174 10 0 BEAERN Cc1nn2ccn(C)c2c1-c1ccncc1 ZINC000409438790 343845409 /nfs/dbraw/zinc/84/54/09/343845409.db2.gz OUHMBDHCABAZPS-UHFFFAOYSA-N 0 0 212.256 2.043 10 0 BEAERN OCc1c(C2CCC2)n[nH]c1C1CCC1 ZINC000409439079 343846380 /nfs/dbraw/zinc/84/63/80/343846380.db2.gz GQLMHAFSEAVVMK-UHFFFAOYSA-N 0 0 206.289 2.437 10 0 BEAERN Cc1ccc(-c2cc(=S)[nH]c(=O)n2C)cc1C ZINC000409439095 343846573 /nfs/dbraw/zinc/84/65/73/343846573.db2.gz PPIQRQIYWZFJSX-UHFFFAOYSA-N 0 0 246.335 2.353 10 0 BEAERN NCc1noc([C@@H](C2CCCC2)n2cccc2)n1 ZINC000409439217 343847136 /nfs/dbraw/zinc/84/71/36/343847136.db2.gz GDBGHZREJXTMTM-GFCCVEGCSA-N 0 0 246.314 2.109 10 0 BEAERN OCCc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409439397 343847608 /nfs/dbraw/zinc/84/76/08/343847608.db2.gz PHBFHJHHTZKMFS-UHFFFAOYSA-N 0 0 234.221 2.231 10 0 BEAERN CCn1nc(-c2cccnc2)c2c1CCOC2 ZINC000409439648 343848006 /nfs/dbraw/zinc/84/80/06/343848006.db2.gz PZBVJLQTXPGZCH-UHFFFAOYSA-N 0 0 229.283 2.038 10 0 BEAERN CCCn1c(-c2cccnc2)cc(=S)[nH]c1=O ZINC000409440749 343852424 /nfs/dbraw/zinc/85/24/24/343852424.db2.gz YWFMFMCCACLXFF-UHFFFAOYSA-N 0 0 247.323 2.004 10 0 BEAERN Cc1cccc(Cl)c1-n1cc(C=O)nn1 ZINC000585143467 343877463 /nfs/dbraw/zinc/87/74/63/343877463.db2.gz VBZSCPVNJGLNJS-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000122564232 178598702 /nfs/dbraw/zinc/59/87/02/178598702.db2.gz RIODTORLQDQBLF-DGCLKSJQSA-N 0 0 233.311 2.179 10 0 BEAERN Nc1cc(-c2cccs2)nn1C[C@@H]1CCCO1 ZINC000409441399 343858915 /nfs/dbraw/zinc/85/89/15/343858915.db2.gz XLRKUUFEYLKPSH-VIFPVBQESA-N 0 0 249.339 2.373 10 0 BEAERN COC(=O)c1c(C(C)C)n[nH]c1C(C)C ZINC000409441334 343858978 /nfs/dbraw/zinc/85/89/78/343858978.db2.gz REKAJPKWZBNTLL-UHFFFAOYSA-N 0 0 210.277 2.443 10 0 BEAERN COC(=O)c1c(C(F)(F)F)n[nH]c1C1CCC1 ZINC000409441655 343860693 /nfs/dbraw/zinc/86/06/93/343860693.db2.gz SMEMWGGWCACLGT-UHFFFAOYSA-N 0 0 248.204 2.483 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)OC(C)(C)C ZINC000113048157 537830175 /nfs/dbraw/zinc/83/01/75/537830175.db2.gz ABUPJBWQVITJLQ-IUCAKERBSA-N 0 0 215.293 2.031 10 0 BEAERN NC(=O)c1cc(-c2ccccc2)nn1C(F)F ZINC000409443452 343867285 /nfs/dbraw/zinc/86/72/85/343867285.db2.gz NFIPPVUDBKBSRB-UHFFFAOYSA-N 0 0 237.209 2.044 10 0 BEAERN CCOC(=O)c1cc([C@@H](C)CC)nc(C)n1 ZINC000575622833 343875176 /nfs/dbraw/zinc/87/51/76/343875176.db2.gz VLISUAQSVAXMFQ-QMMMGPOBSA-N 0 0 222.288 2.475 10 0 BEAERN CCCCc1cc(C(=O)OC)nc(C2CC2)n1 ZINC000575622738 343875233 /nfs/dbraw/zinc/87/52/33/343875233.db2.gz SQZFLEJSJUQPMC-UHFFFAOYSA-N 0 0 234.299 2.483 10 0 BEAERN CC(C)n1c(=O)cc(-c2cccs2)[nH]c1=O ZINC000575622910 343875259 /nfs/dbraw/zinc/87/52/59/343875259.db2.gz YZXJHHVJXIJIAT-UHFFFAOYSA-N 0 0 236.296 2.258 10 0 BEAERN Cc1csc(NC(C)(C)[C@H](C)O)n1 ZINC000128431277 347005786 /nfs/dbraw/zinc/00/57/86/347005786.db2.gz KDTQBTDJQKBBLC-ZETCQYMHSA-N 0 0 200.307 2.023 10 0 BEAERN C[C@@H](O)C(C)(C)Nc1ccc(Cl)cn1 ZINC000128430303 347006105 /nfs/dbraw/zinc/00/61/05/347006105.db2.gz GIJCVHRVHCFKLX-SSDOTTSWSA-N 0 0 214.696 2.306 10 0 BEAERN Cc1c(N)cnn1CC[C@@H]1C[C@@H]1C1CC1 ZINC000714785467 537832207 /nfs/dbraw/zinc/83/22/07/537832207.db2.gz XCURRFOJVMJGHA-GHMZBOCLSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1c(N)cnn1CC[C@H]1C[C@H]1C1CC1 ZINC000714785469 537832801 /nfs/dbraw/zinc/83/28/01/537832801.db2.gz XCURRFOJVMJGHA-QWRGUYRKSA-N 0 0 205.305 2.210 10 0 BEAERN Cc1cccc(F)c1N1CN=NC1=S ZINC000135240463 343974622 /nfs/dbraw/zinc/97/46/22/343974622.db2.gz AEGAUETWELXYNB-UHFFFAOYSA-N 0 0 209.249 2.004 10 0 BEAERN CC(C)(O)CSc1cc(N)cc(F)c1 ZINC000070588929 343952765 /nfs/dbraw/zinc/95/27/65/343952765.db2.gz JTRNOPGDVREETJ-UHFFFAOYSA-N 0 0 215.293 2.271 10 0 BEAERN CC[C@H]1Cc2ccc(Cl)cc2C(=O)N1 ZINC000070587889 343952849 /nfs/dbraw/zinc/95/28/49/343952849.db2.gz BYPDYUUNELBLMO-VIFPVBQESA-N 0 0 209.676 2.405 10 0 BEAERN CCc1ccc(-n2cnnc2Cl)cc1 ZINC000071053062 343959997 /nfs/dbraw/zinc/95/99/97/343959997.db2.gz NDOXEFQQSNENCR-UHFFFAOYSA-N 0 0 207.664 2.483 10 0 BEAERN C[C@H]1COCCN1c1cc(Cl)nnc1Cl ZINC000127227066 344055505 /nfs/dbraw/zinc/05/55/05/344055505.db2.gz FRANGXJGIYHMMZ-LURJTMIESA-N 0 0 248.113 2.009 10 0 BEAERN CC[C@@H]1CS[C@H](c2cscn2)N1 ZINC000126797886 344104769 /nfs/dbraw/zinc/10/47/69/344104769.db2.gz DUWRVNWUVSRZNS-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN CC1(C)CC(Cn2cc(CCCO)cn2)C1 ZINC000585142964 344176317 /nfs/dbraw/zinc/17/63/17/344176317.db2.gz KSOZMJBRFQUJNA-UHFFFAOYSA-N 0 0 222.332 2.244 10 0 BEAERN Nc1cn(-c2cncc(Cl)c2)nc1Cl ZINC000216141175 344141354 /nfs/dbraw/zinc/14/13/54/344141354.db2.gz SDKRLSAJIKWRMD-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@@H](C)CC[C@@H]2C ZINC000234600624 344155554 /nfs/dbraw/zinc/15/55/54/344155554.db2.gz OICVUWWHSSDCBR-UUTMEEIUSA-N 0 0 232.707 2.320 10 0 BEAERN CCOc1cccc([C@H](O)CC[C@H]2CO2)c1 ZINC000616572050 344182773 /nfs/dbraw/zinc/18/27/73/344182773.db2.gz TVWONEYDQNRHSI-QWHCGFSZSA-N 0 0 222.284 2.298 10 0 BEAERN Clc1ccc(CNc2ncnc3[nH]ccc32)o1 ZINC000588894984 344199480 /nfs/dbraw/zinc/19/94/80/344199480.db2.gz LHVUQDNYFSPXAR-UHFFFAOYSA-N 0 0 248.673 2.238 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CC(C)(C)C1 ZINC000217763968 344206626 /nfs/dbraw/zinc/20/66/26/344206626.db2.gz YSBZINBIZFCHTH-VHSXEESVSA-N 0 0 243.347 2.451 10 0 BEAERN Cc1cc(C2N=NC(=S)S2)ccn1 ZINC000235882055 344266223 /nfs/dbraw/zinc/26/62/23/344266223.db2.gz CFEZHXQTJAFEJP-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC(=O)Cc1nsc(N2CCCCCC2)n1 ZINC000219197516 344267464 /nfs/dbraw/zinc/26/74/64/344267464.db2.gz DHRVMPLORNPRJU-UHFFFAOYSA-N 0 0 239.344 2.050 10 0 BEAERN CC(C)(C)NC(=O)c1cc(F)cnc1Cl ZINC000220389979 344267760 /nfs/dbraw/zinc/26/77/60/344267760.db2.gz SZWXCTFPFYGRKP-UHFFFAOYSA-N 0 0 230.670 2.402 10 0 BEAERN Cc1nc(Br)c2cc(O)ccc2n1 ZINC000235935683 344273991 /nfs/dbraw/zinc/27/39/91/344273991.db2.gz SPCNFSRTPRXLBB-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN COC(=O)Cc1cc(OC)c(Cl)cc1F ZINC000219805440 344297587 /nfs/dbraw/zinc/29/75/87/344297587.db2.gz BPHYGLQDNAAXGF-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN c1nnoc1[C@H]1CCNc2ccccc21 ZINC000616585974 344278117 /nfs/dbraw/zinc/27/81/17/344278117.db2.gz AHHUERZPHIAEIP-VIFPVBQESA-N 0 0 201.229 2.017 10 0 BEAERN Cc1cc(-n2ccnc2)cc2ccc(=O)[nH]c12 ZINC000027647133 344283228 /nfs/dbraw/zinc/28/32/28/344283228.db2.gz XVINWTXHTFLUPD-UHFFFAOYSA-N 0 0 225.251 2.022 10 0 BEAERN Cc1cc(-n2cccn2)cc2ccc(=O)[nH]c12 ZINC000027653233 344284367 /nfs/dbraw/zinc/28/43/67/344284367.db2.gz HMBMHXWNXMNKBR-UHFFFAOYSA-N 0 0 225.251 2.022 10 0 BEAERN Clc1nccnc1Sc1ncc[nH]1 ZINC000236063320 344291464 /nfs/dbraw/zinc/29/14/64/344291464.db2.gz YXPSMOKXRGNAKB-UHFFFAOYSA-N 0 0 212.665 2.004 10 0 BEAERN CC(=O)N1CC(C)(C)c2cc(O)ccc21 ZINC000143538848 344332606 /nfs/dbraw/zinc/33/26/06/344332606.db2.gz AFBOHIVNJUEYQE-UHFFFAOYSA-N 0 0 205.257 2.036 10 0 BEAERN CC(C)[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000220758243 344355163 /nfs/dbraw/zinc/35/51/63/344355163.db2.gz GRESNQMQDUOIQR-SNVBAGLBSA-N 0 0 229.320 2.278 10 0 BEAERN Nc1cc(-c2csc(Br)c2)[nH]n1 ZINC000236358987 344356865 /nfs/dbraw/zinc/35/68/65/344356865.db2.gz GYQXVVOYRHTZTE-UHFFFAOYSA-N 0 0 244.117 2.483 10 0 BEAERN CC1(C)CCCN1C(=O)c1ccncc1F ZINC000132806850 344308442 /nfs/dbraw/zinc/30/84/42/344308442.db2.gz MFGDQCLNAURMMK-UHFFFAOYSA-N 0 0 222.263 2.235 10 0 BEAERN CC(C)N(C(=O)c1ccc(N)c(N)c1)C(C)C ZINC000139555928 344403803 /nfs/dbraw/zinc/40/38/03/344403803.db2.gz AZCDNEVJFOFPMM-UHFFFAOYSA-N 0 0 235.331 2.110 10 0 BEAERN CC[C@H](OC)c1nsc(Br)n1 ZINC000166037006 344409349 /nfs/dbraw/zinc/40/93/49/344409349.db2.gz CMIFDZBSJQHGBT-BYPYZUCNSA-N 0 0 237.122 2.398 10 0 BEAERN CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000055910221 344449147 /nfs/dbraw/zinc/44/91/47/344449147.db2.gz UIJYZTLNZJBWHI-YPMHNXCESA-N 0 0 239.359 2.306 10 0 BEAERN Cc1nsc(N[C@@H]2CCC[C@@H](O)C2)c1C#N ZINC000381501713 344513369 /nfs/dbraw/zinc/51/33/69/344513369.db2.gz PMBKHWFHBVQART-RKDXNWHRSA-N 0 0 237.328 2.039 10 0 BEAERN C/C(=C\Cl)Cn1c(C)[nH+]cc1C(=O)[O-] ZINC000381561506 344521562 /nfs/dbraw/zinc/52/15/62/344521562.db2.gz OUOAEIVLIMTCTK-ZZXKWVIFSA-N 0 0 214.652 2.032 10 0 BEAERN CCOC(OCC)C(=O)c1cccc(F)c1 ZINC000043504033 344523936 /nfs/dbraw/zinc/52/39/36/344523936.db2.gz FVWIKTXLLALXKT-UHFFFAOYSA-N 0 0 226.247 2.408 10 0 BEAERN CS[C@@H]1CCC[C@H]1Nc1ncns1 ZINC000230344522 344527347 /nfs/dbraw/zinc/52/73/47/344527347.db2.gz SFFIMHFDABUPJW-RNFRBKRXSA-N 0 0 215.347 2.234 10 0 BEAERN CS[C@H]1CCC[C@H]1Nc1ncns1 ZINC000230344524 344527381 /nfs/dbraw/zinc/52/73/81/344527381.db2.gz SFFIMHFDABUPJW-RQJHMYQMSA-N 0 0 215.347 2.234 10 0 BEAERN C[C@@H]1C[C@H](C)CN1c1nsnc1Cl ZINC000158098620 344541948 /nfs/dbraw/zinc/54/19/48/344541948.db2.gz WKAPMKXRTMDUSK-NTSWFWBYSA-N 0 0 217.725 2.426 10 0 BEAERN CC(C)C(=O)c1cccc2nccnc21 ZINC000158245496 344574640 /nfs/dbraw/zinc/57/46/40/344574640.db2.gz QWGLJIMJXBABTF-UHFFFAOYSA-N 0 0 200.241 2.469 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2ncc[nH]2)C1 ZINC000230367475 344546597 /nfs/dbraw/zinc/54/65/97/344546597.db2.gz UOEVAHWPNIHAGN-VIFPVBQESA-N 0 0 237.303 2.134 10 0 BEAERN CN1c2cc(C(F)(F)F)ccc2CC1=O ZINC000259238595 344556517 /nfs/dbraw/zinc/55/65/17/344556517.db2.gz DTBZNEBZWRRQGD-UHFFFAOYSA-N 0 0 215.174 2.224 10 0 BEAERN C[C@@H]1CSCCN1CC(=O)C1CCCC1 ZINC000158257315 344575737 /nfs/dbraw/zinc/57/57/37/344575737.db2.gz LZMBNSASUCPBLG-SNVBAGLBSA-N 0 0 227.373 2.183 10 0 BEAERN OCc1ccc(C(F)(F)F)c(OC(F)F)n1 ZINC000396096645 344598987 /nfs/dbraw/zinc/59/89/87/344598987.db2.gz NATWGNALCBKFCS-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN CCc1nc(CNC(=O)CCSC)cs1 ZINC000107614201 347056424 /nfs/dbraw/zinc/05/64/24/347056424.db2.gz UTFFILJPAOFDSJ-UHFFFAOYSA-N 0 0 244.385 2.075 10 0 BEAERN CCOC(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000396096268 344598901 /nfs/dbraw/zinc/59/89/01/344598901.db2.gz MOOBKZQTDYZIRB-UHFFFAOYSA-N 0 0 223.228 2.388 10 0 BEAERN CCOC(=O)c1cncc(F)c1C(F)(F)F ZINC000396124015 344609340 /nfs/dbraw/zinc/60/93/40/344609340.db2.gz GDKPQYLVCJBKBZ-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1F ZINC000396123519 344609538 /nfs/dbraw/zinc/60/95/38/344609538.db2.gz ZRPDSZYNYRVIST-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN COc1cc(F)cc(OC(F)F)c1OC ZINC000396130768 344612258 /nfs/dbraw/zinc/61/22/58/344612258.db2.gz ZMUKJFZAKQZWQG-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN COC(=O)c1cc(Cl)nc(OC(F)F)c1 ZINC000396134783 344612778 /nfs/dbraw/zinc/61/27/78/344612778.db2.gz FKSLAYMTIILYBG-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)c1cc(O)cc(C#N)c1CC ZINC000396138816 344614783 /nfs/dbraw/zinc/61/47/83/344614783.db2.gz SIOBKCNPPSYEBW-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(C)c1C ZINC000396139454 344615185 /nfs/dbraw/zinc/61/51/85/344615185.db2.gz UVKYAHSTRXWHIX-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C#N)cc1O ZINC000396140690 344615576 /nfs/dbraw/zinc/61/55/76/344615576.db2.gz BFVLFVRWNUBLMV-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(C#N)c1F ZINC000396141014 344615645 /nfs/dbraw/zinc/61/56/45/344615645.db2.gz CINCAFVLEITBLE-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)c1cc(C#N)c(Cl)cc1OC ZINC000396142859 344616672 /nfs/dbraw/zinc/61/66/72/344616672.db2.gz KGDVWYMHTXKLCT-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C#N)c(OC)c1 ZINC000396144109 344617350 /nfs/dbraw/zinc/61/73/50/344617350.db2.gz CFGLCVLZQGNFMH-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN N#Cc1cc(N)c(F)cc1OC(F)(F)F ZINC000396143981 344617458 /nfs/dbraw/zinc/61/74/58/344617458.db2.gz NQLSFIWBVNKQPC-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)c1c(Cl)c(C#N)ccc1OC ZINC000396144151 344617560 /nfs/dbraw/zinc/61/75/60/344617560.db2.gz CNVFOKGXNCKVBS-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1c(F)ccc(F)c1C#N ZINC000396144673 344617776 /nfs/dbraw/zinc/61/77/76/344617776.db2.gz PSHJKVJXTNAXIF-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN Cc1ccc(F)cc1Nc1ncc(N)cn1 ZINC000040455525 178691880 /nfs/dbraw/zinc/69/18/80/178691880.db2.gz XQGVDUKYLPWPAR-UHFFFAOYSA-N 0 0 218.235 2.250 10 0 BEAERN OCc1nc(OC(F)F)ccc1C(F)(F)F ZINC000396093447 344600124 /nfs/dbraw/zinc/60/01/24/344600124.db2.gz HJSLHRPVEMPEFB-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN CCOC(=O)Cc1cc(O)cc(C)c1C ZINC000396100259 344602339 /nfs/dbraw/zinc/60/23/39/344602339.db2.gz SSHWLXWECWQVHX-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN OCc1cc(C(F)(F)F)cnc1OC(F)F ZINC000396102705 344602758 /nfs/dbraw/zinc/60/27/58/344602758.db2.gz XBSHZBOCHOTOBA-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1cc(C(F)(F)F)cc(OC(F)F)n1 ZINC000396102707 344602902 /nfs/dbraw/zinc/60/29/02/344602902.db2.gz XBWDMMRKTOWIRS-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN CCOC(=O)c1cnc(C(F)(F)F)cc1F ZINC000396108737 344604854 /nfs/dbraw/zinc/60/48/54/344604854.db2.gz CHSRGWMOQXSVEE-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN COC(=O)c1c(F)ccnc1C(F)(F)F ZINC000396112276 344605772 /nfs/dbraw/zinc/60/57/72/344605772.db2.gz KZODLCWPYYUYSB-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN Nc1ccc([N+](=O)[O-])c(F)c1C(F)(F)F ZINC000396112790 344606119 /nfs/dbraw/zinc/60/61/19/344606119.db2.gz BYRISGHLJYQHRN-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN Nc1c(F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000396114967 344606322 /nfs/dbraw/zinc/60/63/22/344606322.db2.gz GQYSXRMAUILPDN-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN COC(=O)c1nc(F)ccc1C(F)(F)F ZINC000396114575 344606403 /nfs/dbraw/zinc/60/64/03/344606403.db2.gz PLXWKRRFNQOYAJ-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN COC(=O)Cc1c(C)ccc(Cl)c1C#N ZINC000396144926 344618208 /nfs/dbraw/zinc/61/82/08/344618208.db2.gz QWOGIKYXEPNRNJ-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CN(C)c1ccc(CO)cc1OC(F)(F)F ZINC000396118818 344608035 /nfs/dbraw/zinc/60/80/35/344608035.db2.gz IUXXXQWBENCOIX-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CCOC(=O)c1c(F)cc(F)c(OC)c1F ZINC000396121088 344608462 /nfs/dbraw/zinc/60/84/62/344608462.db2.gz TXJFPPFULYICSQ-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN OCc1c[nH]c2cc(Br)ccc12 ZINC000050165973 344650656 /nfs/dbraw/zinc/65/06/56/344650656.db2.gz RCOHYZGYMCGKKS-UHFFFAOYSA-N 0 0 226.073 2.423 10 0 BEAERN N#CNCc1ccc(Br)cc1 ZINC000052832236 344669768 /nfs/dbraw/zinc/66/97/68/344669768.db2.gz DTPFERKKFUNSRW-UHFFFAOYSA-N 0 0 211.062 2.020 10 0 BEAERN CSC[C@H](C)Nc1nsnc1Cl ZINC000127909166 344676295 /nfs/dbraw/zinc/67/62/95/344676295.db2.gz YWZFRWXLMZSAQU-BYPYZUCNSA-N 0 0 223.754 2.355 10 0 BEAERN COC(=O)c1c(Cl)ccc(OC)c1C#N ZINC000396145820 344619195 /nfs/dbraw/zinc/61/91/95/344619195.db2.gz UNAJLBSJNZXBEN-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(C)c1F ZINC000396146389 344619508 /nfs/dbraw/zinc/61/95/08/344619508.db2.gz WDDNFMFCBXNTNS-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(OC)c1Cl ZINC000396146558 344620089 /nfs/dbraw/zinc/62/00/89/344620089.db2.gz JYFTZVYHBHVDEP-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1ccc(OC)c(C)c1C#N ZINC000396147567 344620946 /nfs/dbraw/zinc/62/09/46/344620946.db2.gz FORVCOPNWPEKJP-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN N#Cc1c(F)ccc(N)c1OC(F)(F)F ZINC000396147831 344621487 /nfs/dbraw/zinc/62/14/87/344621487.db2.gz YOQBQTQPBFWAFP-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)Cc1cc(O)c(C#N)cc1Cl ZINC000396148313 344622386 /nfs/dbraw/zinc/62/23/86/344622386.db2.gz NAVOTTTXEPKNME-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN CCc1cc(C#N)cc(CC(=O)OC)c1C ZINC000396149523 344623072 /nfs/dbraw/zinc/62/30/72/344623072.db2.gz OOEILUIRUYMQGP-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN COC(=O)c1cc(C#N)c(OC)cc1Cl ZINC000396151256 344624185 /nfs/dbraw/zinc/62/41/85/344624185.db2.gz QRYKCSHJQXEHSL-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCc1c(C)ccc(C#N)c1C(=O)OC ZINC000396152003 344624674 /nfs/dbraw/zinc/62/46/74/344624674.db2.gz COERJNMYAGBJTA-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN COC(=O)c1ccc(F)c(C(F)F)c1C#N ZINC000396153193 344625634 /nfs/dbraw/zinc/62/56/34/344625634.db2.gz DPCFLRWEVXGPRC-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN COC(=O)c1ccc(C#N)c(F)c1C(F)F ZINC000396153845 344626130 /nfs/dbraw/zinc/62/61/30/344626130.db2.gz OVTRTZAYYQHALT-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1cc(C#N)c(Cl)c(CC(=O)OC)c1 ZINC000396155337 344626947 /nfs/dbraw/zinc/62/69/47/344626947.db2.gz GTSQLKIBKMOJIJ-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(C#N)c1OC ZINC000396155792 344627352 /nfs/dbraw/zinc/62/73/52/344627352.db2.gz WOEMRTXCIYYRQK-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCc1c(CC(=O)OC)ccc(Cl)c1C#N ZINC000396156002 344627468 /nfs/dbraw/zinc/62/74/68/344627468.db2.gz HPBLHJAACNVYCO-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)Cc1c(F)ccc(C)c1C#N ZINC000396156679 344628092 /nfs/dbraw/zinc/62/80/92/344628092.db2.gz IEJYXLHLWXFOAE-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1c(Cl)cc(F)cc1C#N ZINC000396156578 344628122 /nfs/dbraw/zinc/62/81/22/344628122.db2.gz XSCKYGZTBKAVDR-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)c1ccc([N+](=O)[O-])c(C)c1Cl ZINC000396157443 344628790 /nfs/dbraw/zinc/62/87/90/344628790.db2.gz ZALPCHOWUXTWSE-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCc1cc(C)cc(C(=O)OC)c1C#N ZINC000396158240 344629432 /nfs/dbraw/zinc/62/94/32/344629432.db2.gz KHLGOTYHMOJBHK-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN COC(=O)c1ccc(C)c(Cl)c1[N+](=O)[O-] ZINC000396157945 344629619 /nfs/dbraw/zinc/62/96/19/344629619.db2.gz ZUOFXUALWAENNG-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCc1ccc(C#N)c(C)c1C(=O)OC ZINC000396168619 344630511 /nfs/dbraw/zinc/63/05/11/344630511.db2.gz XHMSZZKDEPOBCX-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(C=O)c1Cl ZINC000396169965 344630819 /nfs/dbraw/zinc/63/08/19/344630819.db2.gz ZOKOVBRTWHCWDX-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)c1cc(CC)c(C#N)cc1F ZINC000396158470 344631975 /nfs/dbraw/zinc/63/19/75/344631975.db2.gz KWEDIWKVEBCVIU-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1ccc(C)c(C#N)c1OC ZINC000396159522 344632518 /nfs/dbraw/zinc/63/25/18/344632518.db2.gz WMZZXMVQJLBVLZ-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCOC(=O)c1cc(C#N)c(F)c(CC)c1 ZINC000396160273 344633199 /nfs/dbraw/zinc/63/31/99/344633199.db2.gz MLWGNIIDXGJBFB-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN COC(=O)Cc1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000396164214 344635501 /nfs/dbraw/zinc/63/55/01/344635501.db2.gz RDQPNBBRWDXDPX-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1cc(C#N)c(CC(=O)OC)cc1Cl ZINC000396166061 344635970 /nfs/dbraw/zinc/63/59/70/344635970.db2.gz TZSCLQDRORZTNW-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CN(Cc1ccco1)[C@H]1CCCCC1=O ZINC000050133904 344646867 /nfs/dbraw/zinc/64/68/67/344646867.db2.gz IWRYXLSQKRLZDF-NSHDSACASA-N 0 0 207.273 2.223 10 0 BEAERN CN(Cc1ccoc1)[C@@H]1CCCCC1=O ZINC000050151012 344649356 /nfs/dbraw/zinc/64/93/56/344649356.db2.gz QSCLHNMRTCOPFT-LLVKDONJSA-N 0 0 207.273 2.223 10 0 BEAERN O=C(Cc1ccncc1)C(F)(F)Cl ZINC000158688595 344719859 /nfs/dbraw/zinc/71/98/59/344719859.db2.gz KYIDNWFFKAJLBU-UHFFFAOYSA-N 0 0 205.591 2.025 10 0 BEAERN COC(=O)Nc1cc(Br)ccn1 ZINC000227654114 344727995 /nfs/dbraw/zinc/72/79/95/344727995.db2.gz PLDIAMANHQVSOP-UHFFFAOYSA-N 0 0 231.049 2.022 10 0 BEAERN Cc1ccc(N(CCO)C2CCCC2)c(N)c1 ZINC000042502239 178701224 /nfs/dbraw/zinc/70/12/24/178701224.db2.gz VKCGOVLZKHTKSV-UHFFFAOYSA-N 0 0 234.343 2.319 10 0 BEAERN Cc1nc(C[C@H](O)C(F)(F)Cl)sc1C ZINC000158721099 344732333 /nfs/dbraw/zinc/73/23/33/344732333.db2.gz NCNJZLXWHLIWRB-LURJTMIESA-N 0 0 241.690 2.495 10 0 BEAERN CC(=O)c1cnc(N2CCCSCC2)s1 ZINC000054863738 344732420 /nfs/dbraw/zinc/73/24/20/344732420.db2.gz GYPSBPWMLRCKRA-UHFFFAOYSA-N 0 0 242.369 2.289 10 0 BEAERN O=C1C[C@H](c2ccc(Cl)cc2Cl)NN1 ZINC000221368028 344736769 /nfs/dbraw/zinc/73/67/69/344736769.db2.gz MICQEZPSGSQCQV-MRVPVSSYSA-N 0 0 231.082 2.059 10 0 BEAERN Cc1ccncc1[C@@H]1NC[C@H](C)CS1 ZINC000135523703 344741868 /nfs/dbraw/zinc/74/18/68/344741868.db2.gz DMIJTWBGLWNXTE-GZMMTYOYSA-N 0 0 208.330 2.361 10 0 BEAERN Cc1nn(C)cc1CNc1ccsc1 ZINC000127925835 344683583 /nfs/dbraw/zinc/68/35/83/344683583.db2.gz FCSLPUDHXJCXQK-UHFFFAOYSA-N 0 0 207.302 2.402 10 0 BEAERN Cc1ccc(N)cc1C(=O)N[C@H]1CC1(C)C ZINC000045115185 178706078 /nfs/dbraw/zinc/70/60/78/178706078.db2.gz WYLNZXYGQAESMK-NSHDSACASA-N 0 0 218.300 2.106 10 0 BEAERN Cc1nn([C@@H](C)CC(N)=S)c(C)c1Cl ZINC000050586772 344715469 /nfs/dbraw/zinc/71/54/69/344715469.db2.gz SPQZVKFMGIIJRX-YFKPBYRVSA-N 0 0 231.752 2.391 10 0 BEAERN O=C1C[C@@H](c2cc(F)ccc2F)SCCN1 ZINC000231562050 344716026 /nfs/dbraw/zinc/71/60/26/344716026.db2.gz XYRHVWMMLIQAFA-JTQLQIEISA-N 0 0 243.278 2.259 10 0 BEAERN Cc1ccc(N)cc1N(CCO)C1CCCC1 ZINC000053735418 178708766 /nfs/dbraw/zinc/70/87/66/178708766.db2.gz LVRSXGAJUNCLGT-UHFFFAOYSA-N 0 0 234.343 2.319 10 0 BEAERN CC(C)=C(F)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153117698 344754163 /nfs/dbraw/zinc/75/41/63/344754163.db2.gz QULXDLKTFBOUQN-WDEREUQCSA-N 0 0 241.306 2.420 10 0 BEAERN CSc1c(N)nsc1NC1CC1 ZINC000235059490 344754444 /nfs/dbraw/zinc/75/44/44/344754444.db2.gz GWVCDXCLYVDNQI-UHFFFAOYSA-N 0 0 201.320 2.022 10 0 BEAERN CC(C)OC(=O)c1cc(N)cc(Cl)c1 ZINC000166165426 344754898 /nfs/dbraw/zinc/75/48/98/344754898.db2.gz FGQGWHAUIDWTCN-UHFFFAOYSA-N 0 0 213.664 2.487 10 0 BEAERN CCC1(NC(=O)c2cscn2)CCC1 ZINC000128980285 168495019 /nfs/dbraw/zinc/49/50/19/168495019.db2.gz OHTFFZFVDVJWLQ-UHFFFAOYSA-N 0 0 210.302 2.206 10 0 BEAERN CC1(C)CC[C@@H](C[C@H]2CSCC2=O)O1 ZINC000166209241 344789479 /nfs/dbraw/zinc/78/94/79/344789479.db2.gz HEUDUCYMUIYRKW-IUCAKERBSA-N 0 0 214.330 2.266 10 0 BEAERN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H]2C)on1 ZINC000075978354 344789577 /nfs/dbraw/zinc/78/95/77/344789577.db2.gz KYFOCISSJRUBMT-LSJOCFKGSA-N 0 0 249.314 2.238 10 0 BEAERN C[C@@H]1C=C([C@](O)(CO)C(F)(F)F)C[C@@H](C)C1 ZINC000675053204 537862024 /nfs/dbraw/zinc/86/20/24/537862024.db2.gz LTDPCPJNJXHONE-OYNCUSHFSA-N 0 0 238.249 2.265 10 0 BEAERN Cc1cn(C[C@@H]2CCC(F)(F)C2)nc1N ZINC000300852914 537865160 /nfs/dbraw/zinc/86/51/60/537865160.db2.gz JXQUPDPYPXDHIP-MRVPVSSYSA-N 0 0 215.247 2.209 10 0 BEAERN C[C@@]1(C(=O)[O-])CCCC[C@H]1[NH+]1CCCC1 ZINC000135659567 344839488 /nfs/dbraw/zinc/83/94/88/344839488.db2.gz JIRBGWGRSXUUAF-ZYHUDNBSSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1cn(C[C@H]2CCC(F)(F)C2)nc1N ZINC000300852917 537865407 /nfs/dbraw/zinc/86/54/07/537865407.db2.gz JXQUPDPYPXDHIP-QMMMGPOBSA-N 0 0 215.247 2.209 10 0 BEAERN CS[C@@H]1CCC[C@@H]1N1C(=S)N=NC1C ZINC000235214610 344846596 /nfs/dbraw/zinc/84/65/96/344846596.db2.gz IBWLMPCGNLCLEG-JGVFFNPUSA-N 0 0 229.374 2.332 10 0 BEAERN Cc1ccc(NC(=O)c2ccoc2)cc1N ZINC000019474902 178753020 /nfs/dbraw/zinc/75/30/20/178753020.db2.gz BHILPHLQBAUABI-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN Cc1nn(CCc2ccsc2)c(C)c1N ZINC000070534802 537868469 /nfs/dbraw/zinc/86/84/69/537868469.db2.gz DYYAJUREZBNFCL-UHFFFAOYSA-N 0 0 221.329 2.386 10 0 BEAERN C[C@@H]1O[C@]1(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004955341 344860359 /nfs/dbraw/zinc/86/03/59/344860359.db2.gz PHJIDIOTCJJTEN-KWKHLRMHSA-N 0 0 247.250 2.355 10 0 BEAERN O=c1c(Cl)c(Cl)ncn1C/C=C/Cl ZINC000166288738 344842869 /nfs/dbraw/zinc/84/28/69/344842869.db2.gz KCQQWLGLBGIKJK-OWOJBTEDSA-N 0 0 239.489 2.303 10 0 BEAERN Cc1cc(N)nn1C[C@H]1CCC(F)(F)C1 ZINC000300873361 537867413 /nfs/dbraw/zinc/86/74/13/537867413.db2.gz LIENWVAYBPRACY-QMMMGPOBSA-N 0 0 215.247 2.209 10 0 BEAERN CS[C@H]1CCC[C@@H]1N1C(=S)N=NC1C ZINC000235203634 344845160 /nfs/dbraw/zinc/84/51/60/344845160.db2.gz IBWLMPCGNLCLEG-YUMQZZPRSA-N 0 0 229.374 2.332 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000153408833 344871196 /nfs/dbraw/zinc/87/11/96/344871196.db2.gz BECWGGOPFVVVDW-GXTWGEPZSA-N 0 0 239.359 2.308 10 0 BEAERN CCn1cc(N)c(-c2ccccc2C)n1 ZINC000135742320 344874601 /nfs/dbraw/zinc/87/46/01/344874601.db2.gz MNJDLQZUOWEWSF-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN C[C@@H](Cc1ccc(Cl)cc1Cl)NN ZINC000033610668 344874666 /nfs/dbraw/zinc/87/46/66/344874666.db2.gz QNVIZSYMNMPZAL-LURJTMIESA-N 0 0 219.115 2.388 10 0 BEAERN C[C@@H]1CCC[N@H+](C2CCCC2)[C@@H]1C(=O)[O-] ZINC000235297458 344876179 /nfs/dbraw/zinc/87/61/79/344876179.db2.gz HLCSYCPBHPNBHN-KOLCDFICSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1c(Cl)ncnc1Cl ZINC000235298597 344876411 /nfs/dbraw/zinc/87/64/11/344876411.db2.gz FBNBTQXWJNQQPR-UHNVWZDZSA-N 0 0 246.097 2.378 10 0 BEAERN O[C@H]1CCCCC[C@@H]1OCC(F)(F)F ZINC000044192404 344899210 /nfs/dbraw/zinc/89/92/10/344899210.db2.gz LBHMYOCBSDQNSW-YUMQZZPRSA-N 0 0 212.211 2.259 10 0 BEAERN C[C@@H]1C[C@H](C)N(c2ncccc2C=O)C1 ZINC000235419187 344906234 /nfs/dbraw/zinc/90/62/34/344906234.db2.gz ZEZRWHZBSDBSAG-ZJUUUORDSA-N 0 0 204.273 2.129 10 0 BEAERN CCCCSCCC(=O)N[C@H]1C[C@H]1C ZINC000120971561 344906647 /nfs/dbraw/zinc/90/66/47/344906647.db2.gz ZGVMQROAQHLXMU-ZJUUUORDSA-N 0 0 215.362 2.434 10 0 BEAERN C[C@H](NC(=O)NCC1CCCC1)[C@@H]1CCCO1 ZINC000078936225 344922779 /nfs/dbraw/zinc/92/27/79/344922779.db2.gz IFCBCEOUVLASHF-JQWIXIFHSA-N 0 0 240.347 2.043 10 0 BEAERN O=Cc1cnc(-c2ccncc2F)s1 ZINC000135897311 344927539 /nfs/dbraw/zinc/92/75/39/344927539.db2.gz HNYAKLZSFFYWML-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN CN(c1ccc(C=O)s1)C1CCOCC1 ZINC000070609275 537873776 /nfs/dbraw/zinc/87/37/76/537873776.db2.gz VAHRBKAXAPTWCI-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN O=c1cn[nH]c2cc(Br)c(F)cc12 ZINC000667366232 537875357 /nfs/dbraw/zinc/87/53/57/537875357.db2.gz WFQFTXLXESQQKD-UHFFFAOYSA-N 0 0 243.035 2.237 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cnccc1Cl ZINC000166655567 344951920 /nfs/dbraw/zinc/95/19/20/344951920.db2.gz VCYDRRUODVSAPG-CBAPKCEASA-N 0 0 212.680 2.324 10 0 BEAERN C[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C ZINC000235607949 344953377 /nfs/dbraw/zinc/95/33/77/344953377.db2.gz ABJFUDFLKDLFCX-UWVGGRQHSA-N 0 0 213.321 2.218 10 0 BEAERN CC(=O)c1c(O)ccc(Br)c1O ZINC000033823405 344955360 /nfs/dbraw/zinc/95/53/60/344955360.db2.gz MZSDKOBKEFEBJF-UHFFFAOYSA-N 0 0 231.045 2.063 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000238080146 344959674 /nfs/dbraw/zinc/95/96/74/344959674.db2.gz VVLJDHFNQZHHJA-SNVBAGLBSA-N 0 0 237.303 2.482 10 0 BEAERN C[C@H]1SCC[C@@]1(O)C(F)(F)Br ZINC000235632256 344960590 /nfs/dbraw/zinc/96/05/90/344960590.db2.gz YGVUKWBSEVHBSY-UHNVWZDZSA-N 0 0 247.104 2.231 10 0 BEAERN C[C@@H]1C[C@@H](CNc2ccncc2F)C[C@H](C)O1 ZINC000641551440 362496481 /nfs/dbraw/zinc/49/64/81/362496481.db2.gz HBHNFGFZICSZHF-JGPRNRPPSA-N 0 0 238.306 2.258 10 0 BEAERN Cc1ccnc(C(=O)Cc2cncs2)c1 ZINC000166725349 344974468 /nfs/dbraw/zinc/97/44/68/344974468.db2.gz AUMNISQJKQFCDA-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN Clc1ccncc1N[C@H]1CCCOC1 ZINC000166619248 344943806 /nfs/dbraw/zinc/94/38/06/344943806.db2.gz UBWAFHOVMYTDJF-QMMMGPOBSA-N 0 0 212.680 2.326 10 0 BEAERN CCc1ccc(N)c(I)c1 ZINC000135956044 344946367 /nfs/dbraw/zinc/94/63/67/344946367.db2.gz CDIVITZCXSLLQQ-UHFFFAOYSA-N 0 0 247.079 2.436 10 0 BEAERN COC(=O)c1cccc(OC(F)(F)F)c1O ZINC000044200190 344946521 /nfs/dbraw/zinc/94/65/21/344946521.db2.gz OOJYGUGOTJXBBM-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1cnccc1Cl ZINC000166655235 344951709 /nfs/dbraw/zinc/95/17/09/344951709.db2.gz VCYDRRUODVSAPG-VXNVDRBHSA-N 0 0 212.680 2.324 10 0 BEAERN Cc1c(N)cnn1Cc1cccc(C)c1 ZINC000070823864 537883452 /nfs/dbraw/zinc/88/34/52/537883452.db2.gz DZVJKWIYJCUZNH-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN C[C@H](C1CC1)N(C)C1N=NC(=S)S1 ZINC000044241500 344991356 /nfs/dbraw/zinc/99/13/56/344991356.db2.gz CGALJKAXKVSEEH-RXMQYKEDSA-N 0 0 215.347 2.062 10 0 BEAERN CC(C)OCCCNC(=O)N[C@@H](C)C(C)C ZINC000078433953 537882950 /nfs/dbraw/zinc/88/29/50/537882950.db2.gz AZXDFWCBQKGAKD-NSHDSACASA-N 0 0 230.352 2.145 10 0 BEAERN COc1nccc(OC(F)(F)F)c1F ZINC000238428194 345047273 /nfs/dbraw/zinc/04/72/73/345047273.db2.gz FTSPLBDBCIXLAM-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN Cc1ncc(C=O)cc1OC(F)(F)F ZINC000238466701 345053834 /nfs/dbraw/zinc/05/38/34/345053834.db2.gz ORWRPCORNDLTAY-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1cc(CNCc2ccc3c(c2)OCO3)on1 ZINC000044300902 345015393 /nfs/dbraw/zinc/01/53/93/345015393.db2.gz FWNCFLILZMGSIX-UHFFFAOYSA-N 0 0 246.266 2.002 10 0 BEAERN Cc1nnc([C@@H](NC(C)C)c2ccccc2)[nH]1 ZINC000154161543 345015474 /nfs/dbraw/zinc/01/54/74/345015474.db2.gz ULWBPRKSZDFWIR-LBPRGKRZSA-N 0 0 230.315 2.201 10 0 BEAERN CN[C@@H](c1scnc1C)C(F)(F)F ZINC000238324807 345024550 /nfs/dbraw/zinc/02/45/50/345024550.db2.gz ZIPJOHWCRCGTJA-LURJTMIESA-N 0 0 210.224 2.274 10 0 BEAERN COc1cncc(OC(F)(F)F)c1F ZINC000238347310 345027513 /nfs/dbraw/zinc/02/75/13/345027513.db2.gz JYBFOZRERUSQSV-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1ccc(C)c(OC(F)(F)F)n1 ZINC000238362950 345029811 /nfs/dbraw/zinc/02/98/11/345029811.db2.gz SZMQKZCKQXIAFO-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1ccc(N)c(OC(F)(F)F)c1 ZINC000238363118 345030022 /nfs/dbraw/zinc/03/00/22/345030022.db2.gz AAAJEVJYUGJEOY-UHFFFAOYSA-N 0 0 207.151 2.176 10 0 BEAERN COc1c(C)cncc1OC(F)(F)F ZINC000238368979 345031242 /nfs/dbraw/zinc/03/12/42/345031242.db2.gz BKWHNZMYYMLQEF-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1cc(F)ncc1OC(F)(F)F ZINC000238360561 345031338 /nfs/dbraw/zinc/03/13/38/345031338.db2.gz ULRKWVZFRRSOHW-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1ccn2nccc2c1Br ZINC000238369594 345032223 /nfs/dbraw/zinc/03/22/23/345032223.db2.gz WVIAMBYANNECGD-UHFFFAOYSA-N 0 0 227.061 2.105 10 0 BEAERN COc1ccnc(OC(F)(F)F)c1F ZINC000238385641 345034740 /nfs/dbraw/zinc/03/47/40/345034740.db2.gz MDVDNHQFYFHLDA-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cccc(OC(F)(F)F)c1C=O ZINC000238383293 345036960 /nfs/dbraw/zinc/03/69/60/345036960.db2.gz AAFNHJQZSHIWIR-UHFFFAOYSA-N 0 0 220.146 2.406 10 0 BEAERN COC(=O)Cc1c(F)cc(Cl)cc1F ZINC000238382136 345036969 /nfs/dbraw/zinc/03/69/69/345036969.db2.gz YOZDAKUOSIILAL-UHFFFAOYSA-N 0 0 220.602 2.334 10 0 BEAERN Cc1ccn2nc(Cl)nc(Cl)c12 ZINC000238464685 345053340 /nfs/dbraw/zinc/05/33/40/345053340.db2.gz WZYVAVDRBLIVAC-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN CC(C)c1cc(N[C@@H](C)[C@H](C)CO)ncn1 ZINC000125631314 345087307 /nfs/dbraw/zinc/08/73/07/345087307.db2.gz WRRZSTUHQWWXAR-ZJUUUORDSA-N 0 0 223.320 2.029 10 0 BEAERN Cc1c(O)c(C=O)ccc1Br ZINC000238534066 345071224 /nfs/dbraw/zinc/07/12/24/345071224.db2.gz GAWIABCPLBYYMX-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN Fc1ccn2nccc2c1Br ZINC000238546673 345074698 /nfs/dbraw/zinc/07/46/98/345074698.db2.gz FAPQZPJQUXMHRM-UHFFFAOYSA-N 0 0 215.025 2.236 10 0 BEAERN Cc1cc(N)c(Br)cc1O ZINC000238556264 345077956 /nfs/dbraw/zinc/07/79/56/345077956.db2.gz KUZLLWZYJUZQKL-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN NNc1c(F)cc(Br)cc1F ZINC000238578899 345081075 /nfs/dbraw/zinc/08/10/75/345081075.db2.gz JPYALDKDRCVWTJ-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN CCC[C@@H]1CN(C(=O)OC(C)C)CCO1 ZINC000497195978 323083283 /nfs/dbraw/zinc/08/32/83/323083283.db2.gz XSVXOHZYICGTJO-SNVBAGLBSA-N 0 0 215.293 2.032 10 0 BEAERN Cc1ccc(N2CC[C@H](CO)C2)cc1Cl ZINC000011892901 345055677 /nfs/dbraw/zinc/05/56/77/345055677.db2.gz OZFMFTFJNDRWKP-JTQLQIEISA-N 0 0 225.719 2.467 10 0 BEAERN Cc1ccc(Oc2ncncc2CO)cc1C ZINC000020386325 178822154 /nfs/dbraw/zinc/82/21/54/178822154.db2.gz RSGJNBJCNKGHPO-UHFFFAOYSA-N 0 0 230.267 2.378 10 0 BEAERN Cc1cc2[nH]nc(N)c2cc1Br ZINC000238493692 345059435 /nfs/dbraw/zinc/05/94/35/345059435.db2.gz IWHJNCHTNOAFMY-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN Cc1ccc(OC[C@H](O)COC(C)C)cc1 ZINC000034544351 178814816 /nfs/dbraw/zinc/81/48/16/178814816.db2.gz VTUGAQGEZFPUPW-GFCCVEGCSA-N 0 0 224.300 2.160 10 0 BEAERN Cc1cnc(C=O)c(OC(F)(F)F)c1 ZINC000238514567 345067622 /nfs/dbraw/zinc/06/76/22/345067622.db2.gz BNLLFAHPVIHGPK-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN OCc1cncc(Cl)c1OC(F)(F)F ZINC000238729432 345120273 /nfs/dbraw/zinc/12/02/73/345120273.db2.gz HHFOCHPHQZLCNI-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN N[C@@H](c1ncccc1Cl)C(F)(F)F ZINC000238643707 345101297 /nfs/dbraw/zinc/10/12/97/345101297.db2.gz WEZUHRTZHOSAPV-LURJTMIESA-N 0 0 210.586 2.297 10 0 BEAERN FC(F)c1nc2ccc(Br)cn2n1 ZINC000238662835 345104767 /nfs/dbraw/zinc/10/47/67/345104767.db2.gz GMRWWXDHQJSCQE-UHFFFAOYSA-N 0 0 248.030 2.429 10 0 BEAERN Nc1cc(Cl)cnc1OC(F)(F)F ZINC000238676589 345106719 /nfs/dbraw/zinc/10/67/19/345106719.db2.gz PKAVKRBRCAPZQB-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Oc1cncc(Cl)c1OC(F)(F)F ZINC000238674063 345106796 /nfs/dbraw/zinc/10/67/96/345106796.db2.gz DNXRHJNXXRMVFA-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN CCC1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000121625511 168520090 /nfs/dbraw/zinc/52/00/90/168520090.db2.gz UXZCPECKTMJLGS-UHFFFAOYSA-N 0 0 235.331 2.119 10 0 BEAERN CC[C@@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000152229250 537890027 /nfs/dbraw/zinc/89/00/27/537890027.db2.gz ZMAWXYVHMBNPNW-GHMZBOCLSA-N 0 0 212.337 2.472 10 0 BEAERN CC(C)Cc1ccc2ccc(=O)[nH]c2n1 ZINC000143888996 345140573 /nfs/dbraw/zinc/14/05/73/345140573.db2.gz AQZVADXGNIAZGH-UHFFFAOYSA-N 0 0 202.257 2.122 10 0 BEAERN Cc1cc(Br)cc(NC(N)=S)c1 ZINC000145988653 345233998 /nfs/dbraw/zinc/23/39/98/345233998.db2.gz JOMBLZGSERDVJY-UHFFFAOYSA-N 0 0 245.145 2.413 10 0 BEAERN CC(C)(C)c1nnc(Cl)n1CC(F)F ZINC000148099871 345245485 /nfs/dbraw/zinc/24/54/85/345245485.db2.gz PKQVYRNHQDQRIJ-UHFFFAOYSA-N 0 0 223.654 2.494 10 0 BEAERN Nc1ncc(Br)cc1C1CC1 ZINC000146174726 345253591 /nfs/dbraw/zinc/25/35/91/345253591.db2.gz OKTWRKGTAMDDEZ-UHFFFAOYSA-N 0 0 213.078 2.304 10 0 BEAERN CCc1cnn2c1N[C@@H](C)C[C@H]2C(F)F ZINC000720939433 537891380 /nfs/dbraw/zinc/89/13/80/537891380.db2.gz DNZYCONWIQRQCD-XPUUQOCRSA-N 0 0 215.247 2.456 10 0 BEAERN C[C@H]1CSCCN1c1ccnc(F)c1 ZINC000227644471 345261220 /nfs/dbraw/zinc/26/12/20/345261220.db2.gz BWQOMOXSQGRCFO-QMMMGPOBSA-N 0 0 212.293 2.162 10 0 BEAERN Cc1cccc(NC(N)=S)c1Br ZINC000131216642 345294816 /nfs/dbraw/zinc/29/48/16/345294816.db2.gz IMOKCLOUESHSBZ-UHFFFAOYSA-N 0 0 245.145 2.413 10 0 BEAERN OCC[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000132258427 345324009 /nfs/dbraw/zinc/32/40/09/345324009.db2.gz IQJVLLLWNLNZOB-MRVPVSSYSA-N 0 0 231.748 2.361 10 0 BEAERN Cc1ccc([C@@H](C)O)c(OCc2cnn(C)c2)c1 ZINC000104332237 178853121 /nfs/dbraw/zinc/85/31/21/178853121.db2.gz OGDCTZMIYXJTIL-LLVKDONJSA-N 0 0 246.310 2.361 10 0 BEAERN C[C@H]1CN(c2csc(C=O)c2)[C@@H](C)CO1 ZINC000228564915 345366329 /nfs/dbraw/zinc/36/63/29/345366329.db2.gz QJCYYJXCLYFBTJ-IUCAKERBSA-N 0 0 225.313 2.174 10 0 BEAERN CCOCc1nc2c(c(Cl)n1)CSC2 ZINC000134643705 345417410 /nfs/dbraw/zinc/41/74/10/345417410.db2.gz DNKOIGGCLYVLNA-UHFFFAOYSA-N 0 0 230.720 2.413 10 0 BEAERN CCCc1cc(O)ccc1OCC(=O)OCC ZINC000167299438 345505723 /nfs/dbraw/zinc/50/57/23/345505723.db2.gz JJHXEWBXGMMWKR-UHFFFAOYSA-N 0 0 238.283 2.287 10 0 BEAERN CCCCN(CCCC)c1ccc(N)nn1 ZINC000159892240 345479912 /nfs/dbraw/zinc/47/99/12/345479912.db2.gz GXDBYMYFXZTWSU-UHFFFAOYSA-N 0 0 222.336 2.465 10 0 BEAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1cccc(Cl)c1 ZINC000250649879 345484825 /nfs/dbraw/zinc/48/48/25/345484825.db2.gz WKLWDSQICCQFGI-ONGXEEELSA-N 0 0 239.702 2.417 10 0 BEAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000250650808 345484906 /nfs/dbraw/zinc/48/49/06/345484906.db2.gz WQDFALBSBODLEE-KOLCDFICSA-N 0 0 239.702 2.417 10 0 BEAERN OC[C@@H](Nc1ncccc1Cl)c1ccco1 ZINC000088726508 345544800 /nfs/dbraw/zinc/54/48/00/345544800.db2.gz BHCPLNNBLWWDNQ-SECBINFHSA-N 0 0 238.674 2.474 10 0 BEAERN CCOC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000070242070 345545816 /nfs/dbraw/zinc/54/58/16/345545816.db2.gz VCWKFLJLPRUTSA-ZETCQYMHSA-N 0 0 225.210 2.417 10 0 BEAERN C[C@@H](Nc1nnc(C(F)F)s1)[C@H]1CCCO1 ZINC000091427262 345592028 /nfs/dbraw/zinc/59/20/28/345592028.db2.gz ZOPKEJSKDPFAAU-PHDIDXHHSA-N 0 0 249.286 2.455 10 0 BEAERN CC(C)c1noc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000091427097 345592048 /nfs/dbraw/zinc/59/20/48/345592048.db2.gz DYIYOROUYDBQOA-DTWKUNHWSA-N 0 0 225.292 2.172 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)NC(C)C)o1 ZINC000047464139 178885910 /nfs/dbraw/zinc/88/59/10/178885910.db2.gz DBXXCULVOOFZRT-VIFPVBQESA-N 0 0 210.277 2.357 10 0 BEAERN COc1ccccc1NC(=O)C(C)(C)F ZINC000092815002 345644131 /nfs/dbraw/zinc/64/41/31/345644131.db2.gz WJABGALHQXBKLP-UHFFFAOYSA-N 0 0 211.236 2.382 10 0 BEAERN Cc1ccc([C@H](C)Nc2ncc(N)cn2)o1 ZINC000049194211 178901075 /nfs/dbraw/zinc/90/10/75/178901075.db2.gz LIYCKDIQFYBOEQ-QMMMGPOBSA-N 0 0 218.260 2.133 10 0 BEAERN c1cncc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000095234877 345684423 /nfs/dbraw/zinc/68/44/23/345684423.db2.gz UMKYJQRSSCJJLH-UHFFFAOYSA-N 0 0 239.238 2.054 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)c1ccoc1Cl ZINC000236039948 537909071 /nfs/dbraw/zinc/90/90/71/537909071.db2.gz QZCWZOVEOVHDHO-QMMMGPOBSA-N 0 0 243.690 2.232 10 0 BEAERN O=c1ccc2c(F)ccc(Br)c2[nH]1 ZINC000230561764 345744354 /nfs/dbraw/zinc/74/43/54/345744354.db2.gz HZZHNYQJRWOJOY-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN CCCCOc1cc(C=O)ccc1C(=O)OC ZINC000113968374 345754969 /nfs/dbraw/zinc/75/49/69/345754969.db2.gz FIKBYSIYPIRVFD-UHFFFAOYSA-N 0 0 236.267 2.465 10 0 BEAERN COC(=O)/C=C/c1ccc(Cl)cc1C=O ZINC000114360510 345756662 /nfs/dbraw/zinc/75/66/62/345756662.db2.gz CEDZDMRWXZLDIE-HWKANZROSA-N 0 0 224.643 2.339 10 0 BEAERN CCOC(=O)Cn1ccc2cc(F)c(F)cc21 ZINC000206291035 345757978 /nfs/dbraw/zinc/75/79/78/345757978.db2.gz QQARXJANJOKWBE-UHFFFAOYSA-N 0 0 239.221 2.483 10 0 BEAERN CC(=O)CCC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000201892979 345729599 /nfs/dbraw/zinc/72/95/99/345729599.db2.gz TTWYYQKXEPEYTO-CQSZACIVSA-N 0 0 245.322 2.029 10 0 BEAERN CCOP(=O)(OCC)[C@@H](C)CC(=O)OC ZINC000136203631 345808574 /nfs/dbraw/zinc/80/85/74/345808574.db2.gz JCZIZOCGOQNCPH-QMMMGPOBSA-N 0 0 238.220 2.204 10 0 BEAERN Nc1ccc2sc(CN3CCOCC3)cc2c1 ZINC000136272314 345810461 /nfs/dbraw/zinc/81/04/61/345810461.db2.gz FSZCVSHQVWJBGB-UHFFFAOYSA-N 0 0 248.351 2.316 10 0 BEAERN O=C1CC(=O)N2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000136547415 345815471 /nfs/dbraw/zinc/81/54/71/345815471.db2.gz ARNIQOGBNGZAFV-IUODEOHRSA-N 0 0 243.306 2.124 10 0 BEAERN Cc1ccc([C@H]2CC[C@@H](C(=O)[O-])[NH2+]2)cc1C ZINC000082366582 178920292 /nfs/dbraw/zinc/92/02/92/178920292.db2.gz FIILFHCJAIWFRF-NEPJUHHUSA-N 0 0 219.284 2.181 10 0 BEAERN CCOP(=O)(OCC)[C@@H](C)C(=O)Cl ZINC000140876220 345824382 /nfs/dbraw/zinc/82/43/82/345824382.db2.gz JKFLEOKWOWWAMF-LURJTMIESA-N 0 0 228.612 2.406 10 0 BEAERN COC(=O)[C@](C)(N)Cc1cccc2ccccc21 ZINC000034147241 345818329 /nfs/dbraw/zinc/81/83/29/345818329.db2.gz DSVUEEGFTQCBSR-OAHLLOKOSA-N 0 0 243.306 2.273 10 0 BEAERN CC(C)c1nc2ccccc2c(=O)n1C ZINC000034180576 345818658 /nfs/dbraw/zinc/81/86/58/345818658.db2.gz MINYANMTSJPKGR-UHFFFAOYSA-N 0 0 202.257 2.057 10 0 BEAERN CCOC(=O)C[C@@H]1CCC[C@@H](CCC#N)C1=O ZINC000034182305 345818770 /nfs/dbraw/zinc/81/87/70/345818770.db2.gz NTBNGFKXIYKZGR-QWRGUYRKSA-N 0 0 237.299 2.229 10 0 BEAERN COC(=O)Cc1cccc(-n2cccc2)c1 ZINC000034211561 345819469 /nfs/dbraw/zinc/81/94/69/345819469.db2.gz IVAXWDGIXUDGOO-UHFFFAOYSA-N 0 0 215.252 2.193 10 0 BEAERN CN(C)Cc1nc(Cl)ccc1Cl ZINC000061630348 345761679 /nfs/dbraw/zinc/76/16/79/345761679.db2.gz SLXWDNBNBVKRKC-UHFFFAOYSA-N 0 0 205.088 2.450 10 0 BEAERN CC(C)(F)[C@H](O)COCc1ccccc1 ZINC000138318380 345762987 /nfs/dbraw/zinc/76/29/87/345762987.db2.gz AYXLONZZJWSGII-LLVKDONJSA-N 0 0 212.264 2.312 10 0 BEAERN COC(=O)[C@@]1(O)CCCC[C@H]1C(C)(C)C ZINC000050974898 345767286 /nfs/dbraw/zinc/76/72/86/345767286.db2.gz YCYCFFASFQXDDV-JOYOIKCWSA-N 0 0 214.305 2.127 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)N1CCC(=O)Nc2ccccc21 ZINC000118618667 345770826 /nfs/dbraw/zinc/77/08/26/345770826.db2.gz DFDGQADQNRHGNB-NXEZZACHSA-N 0 0 244.294 2.018 10 0 BEAERN O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCCCCl ZINC000138490824 345771349 /nfs/dbraw/zinc/77/13/49/345771349.db2.gz VFNGULYKOYQZNT-UWVGGRQHSA-N 0 0 243.734 2.181 10 0 BEAERN Cc1ccc(-c2cn3c(n2)[C@@H](O)CCC3)o1 ZINC000258609838 345785027 /nfs/dbraw/zinc/78/50/27/345785027.db2.gz VTHMCRYAHKDIJE-JTQLQIEISA-N 0 0 218.256 2.279 10 0 BEAERN CCOC(=O)/C=C(\C)CC(C)(C)OC ZINC000137303226 345841478 /nfs/dbraw/zinc/84/14/78/345841478.db2.gz XETHESWZNOLXDD-VQHVLOKHSA-N 0 0 200.278 2.311 10 0 BEAERN CCCC[C@@H](CC)CC(=O)NCC[C@@H](C)O ZINC000136100812 345841641 /nfs/dbraw/zinc/84/16/41/345841641.db2.gz MZNUSQRZHVNLAK-VXGBXAGGSA-N 0 0 229.364 2.480 10 0 BEAERN CCOC(=O)c1ccc2c(c1)N=C(C)CC(=O)N2 ZINC000137391102 345843536 /nfs/dbraw/zinc/84/35/36/345843536.db2.gz MZKMBQLPEKYMHY-UHFFFAOYSA-N 0 0 246.266 2.298 10 0 BEAERN CCCCOc1cccc(N2CCC(=O)N2)c1 ZINC000169344324 345845531 /nfs/dbraw/zinc/84/55/31/345845531.db2.gz LOEDCGHCAGJGEO-UHFFFAOYSA-N 0 0 234.299 2.107 10 0 BEAERN CNc1ccc2c(c1)N(Cc1c[nH]cn1)CC2 ZINC000034894179 345845650 /nfs/dbraw/zinc/84/56/50/345845650.db2.gz OBLUYOWXNJNRKH-UHFFFAOYSA-N 0 0 228.299 2.014 10 0 BEAERN O[C@@H]1CC=C(COCc2ccccc2)C1 ZINC000035027536 345847245 /nfs/dbraw/zinc/84/72/45/345847245.db2.gz QEKFYKWOFIQWGT-CYBMUJFWSA-N 0 0 204.269 2.284 10 0 BEAERN O[C@H]1CC=C(COCc2ccccc2)C1 ZINC000035027534 345847392 /nfs/dbraw/zinc/84/73/92/345847392.db2.gz QEKFYKWOFIQWGT-ZDUSSCGKSA-N 0 0 204.269 2.284 10 0 BEAERN CCc1ccc(C(=O)N2CCCCC2)c(N)c1 ZINC000035065073 345848228 /nfs/dbraw/zinc/84/82/28/345848228.db2.gz CXCMEPPGQOXIFP-UHFFFAOYSA-N 0 0 232.327 2.457 10 0 BEAERN COC(=O)N(C)c1cc(F)cnc1Cl ZINC000215807025 345848923 /nfs/dbraw/zinc/84/89/23/345848923.db2.gz TZGUCTWZNBDZRO-UHFFFAOYSA-N 0 0 218.615 2.077 10 0 BEAERN CCCCOC(=S)SCOC(C)=O ZINC000218481929 345852142 /nfs/dbraw/zinc/85/21/42/345852142.db2.gz KRPMDSKDPOBXIH-UHFFFAOYSA-N 0 0 222.331 2.342 10 0 BEAERN CCOC(=O)C1=NN(CC)[C@H](c2ccccc2)C1 ZINC000219171028 345856613 /nfs/dbraw/zinc/85/66/13/345856613.db2.gz TZZHTIXUACCJKP-ZDUSSCGKSA-N 0 0 246.310 2.372 10 0 BEAERN CC(C)[C@H](NN)c1c(F)cccc1F ZINC000166835866 345856690 /nfs/dbraw/zinc/85/66/90/345856690.db2.gz ZENCYQYTIZBPRV-JTQLQIEISA-N 0 0 200.232 2.125 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@H]1c1ccccc1OC ZINC000140780277 345858388 /nfs/dbraw/zinc/85/83/88/345858388.db2.gz DXSIVBWICLKCAB-GHMZBOCLSA-N 0 0 220.268 2.362 10 0 BEAERN OCc1scc(Br)c1F ZINC000219349773 345858675 /nfs/dbraw/zinc/85/86/75/345858675.db2.gz DUHKGVTZTQETOP-UHFFFAOYSA-N 0 0 211.055 2.142 10 0 BEAERN COC(=O)c1cccc(C(=O)CCC(C)=O)c1 ZINC000141693958 345861226 /nfs/dbraw/zinc/86/12/26/345861226.db2.gz UWJFRUFVRJHKBS-UHFFFAOYSA-N 0 0 234.251 2.025 10 0 BEAERN Cc1cc(C)c2c(c1)-c1n[nH]c(=O)cc1CC2 ZINC000034416396 345828715 /nfs/dbraw/zinc/82/87/15/345828715.db2.gz ODHMXMSITKIHJK-UHFFFAOYSA-N 0 0 226.279 2.152 10 0 BEAERN CCCN(C(=O)CC)[C@@H]1Cc2ccc(N)cc2C1 ZINC000034507674 345830004 /nfs/dbraw/zinc/83/00/04/345830004.db2.gz VCUHHBFADQDQHB-CQSZACIVSA-N 0 0 246.354 2.385 10 0 BEAERN O=C1NC[C@@H]2c3ccccc3Cc3cccc1c32 ZINC000034542883 345831183 /nfs/dbraw/zinc/83/11/83/345831183.db2.gz UBKSESMRWIQZNZ-CQSZACIVSA-N 0 0 235.286 2.466 10 0 BEAERN CC(C)(CO)[C@@H](O)c1ccc(Cl)cc1 ZINC000034563490 345832236 /nfs/dbraw/zinc/83/22/36/345832236.db2.gz ZGUSKNKWSOITFK-JTQLQIEISA-N 0 0 214.692 2.392 10 0 BEAERN CC(=O)N(C)c1cnc(C=O)c2ccccc21 ZINC000034432119 345832597 /nfs/dbraw/zinc/83/25/97/345832597.db2.gz PHZHQMCGJPLQBE-UHFFFAOYSA-N 0 0 228.251 2.030 10 0 BEAERN COC(=O)/C=C/O[C@@H](C)c1ccccc1 ZINC000034428113 345832872 /nfs/dbraw/zinc/83/28/72/345832872.db2.gz TTWBRETZECGSOT-DDXVTDLHSA-N 0 0 206.241 2.451 10 0 BEAERN N=C1N[C@H]2CCCC[C@H]2Oc2ccsc21 ZINC000142529492 345863283 /nfs/dbraw/zinc/86/32/83/345863283.db2.gz HIFDQIOQNLMRHW-JGVFFNPUSA-N 0 0 222.313 2.157 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Cc1ccc(F)cc1 ZINC000136994735 345835660 /nfs/dbraw/zinc/83/56/60/345835660.db2.gz ZQNCMRMZOOBMQQ-SECBINFHSA-N 0 0 238.258 2.137 10 0 BEAERN Cc1ccc([C@H]2NC(=O)[C@H]3CCCCN32)cc1F ZINC000078758171 178923996 /nfs/dbraw/zinc/92/39/96/178923996.db2.gz NDVZDQBWPWNPBH-OLZOCXBDSA-N 0 0 248.301 2.117 10 0 BEAERN O=C1CCC(CO)(c2ccc(F)cc2)CC1 ZINC000142924255 345864794 /nfs/dbraw/zinc/86/47/94/345864794.db2.gz TVYLYWMMRSAMIK-UHFFFAOYSA-N 0 0 222.259 2.199 10 0 BEAERN O=C(NC[C@@H]1CCC[C@@H]1O)C1CCC=CCC1 ZINC000635619227 345896311 /nfs/dbraw/zinc/89/63/11/345896311.db2.gz YCPCTBUZHMEZBR-STQMWFEESA-N 0 0 237.343 2.010 10 0 BEAERN Cc1ccccc1Cn1ccnc1C=O ZINC000051003492 345875254 /nfs/dbraw/zinc/87/52/54/345875254.db2.gz YGMXADVMQOLMGB-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC1CCC2CC1 ZINC000307094031 537920472 /nfs/dbraw/zinc/92/04/72/537920472.db2.gz BSEQNTQIUUFVIA-SLDGDWOWSA-N 0 0 230.691 2.074 10 0 BEAERN C[C@H](C=O)N(C)c1ccc2c(C#N)nccc2c1 ZINC000143445042 345901462 /nfs/dbraw/zinc/90/14/62/345901462.db2.gz HLJKSQQNTDXYIP-SNVBAGLBSA-N 0 0 239.278 2.130 10 0 BEAERN COC(=O)C[C@@H](c1ncco1)c1ccc(O)cc1 ZINC000143745854 345912347 /nfs/dbraw/zinc/91/23/47/345912347.db2.gz RSROMXMQWVWHSU-LLVKDONJSA-N 0 0 247.250 2.075 10 0 BEAERN O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC=CCN1 ZINC000628222257 345960672 /nfs/dbraw/zinc/96/06/72/345960672.db2.gz KXKOXAWITNTKCZ-MELADBBJSA-N 0 0 248.370 2.496 10 0 BEAERN Cc1nc(C)c(Br)c(=S)[nH]1 ZINC000235825556 345937253 /nfs/dbraw/zinc/93/72/53/345937253.db2.gz XLFYMUDDGICDKQ-UHFFFAOYSA-N 0 0 219.107 2.145 10 0 BEAERN Clc1cc(-c2cnccn2)nc(C2CC2)n1 ZINC000087908788 345939961 /nfs/dbraw/zinc/93/99/61/345939961.db2.gz ZQLLVUJWJAHXRY-UHFFFAOYSA-N 0 0 232.674 2.464 10 0 BEAERN CCOC(=O)C1=C(O)C(C)(C)CCCC1 ZINC000719189621 537927526 /nfs/dbraw/zinc/92/75/26/537927526.db2.gz NRCHPTGGEQJFEK-SECBINFHSA-N 0 0 212.289 2.335 10 0 BEAERN CC1CC(C(=O)Nc2ccccc2N)C1 ZINC000381465357 345968991 /nfs/dbraw/zinc/96/89/91/345968991.db2.gz MKNZHOMBBDCGRE-UHFFFAOYSA-N 0 0 204.273 2.253 10 0 BEAERN CCOC(=O)c1cc(F)cc(OC)c1OC ZINC000390422342 345969711 /nfs/dbraw/zinc/96/97/11/345969711.db2.gz RNWAIORQINNPBO-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN COC(=O)c1c(C#N)cccc1OC(C)C ZINC000390435491 345974053 /nfs/dbraw/zinc/97/40/53/345974053.db2.gz IIJZJDBTIWTNQX-UHFFFAOYSA-N 0 0 219.240 2.132 10 0 BEAERN C[C@@H]1C[C@@H]1Cn1ncc2ccc(N)cc21 ZINC000722664558 537929490 /nfs/dbraw/zinc/92/94/90/537929490.db2.gz KCVRBXBIITUHIW-PSASIEDQSA-N 0 0 201.273 2.275 10 0 BEAERN COC(=O)C(C)(C)CSC[C@H](O)C(C)(C)C ZINC000601086683 346016981 /nfs/dbraw/zinc/01/69/81/346016981.db2.gz MFMFMHZDUICFGD-VIFPVBQESA-N 0 0 248.388 2.326 10 0 BEAERN Cn1ccnc1-c1ccc(Br)cn1 ZINC000148037923 346032106 /nfs/dbraw/zinc/03/21/06/346032106.db2.gz LRPOWXKFAVZZDX-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN CC[C@@](C)(O)Cc1cn2ccsc2n1 ZINC000148916760 346067863 /nfs/dbraw/zinc/06/78/63/346067863.db2.gz YULITBNFYJJPMK-SNVBAGLBSA-N 0 0 210.302 2.099 10 0 BEAERN O=c1c(O)cccn1Cc1cccc(Cl)c1 ZINC000096173253 346102845 /nfs/dbraw/zinc/10/28/45/346102845.db2.gz VIWSANOEUHNZFR-UHFFFAOYSA-N 0 0 235.670 2.256 10 0 BEAERN C[C@H]1Oc2cc(F)c(Br)cc2[C@H]1O ZINC000148424206 346107949 /nfs/dbraw/zinc/10/79/49/346107949.db2.gz NTOGOVAYUFKNDL-MOFOKWOHSA-N 0 0 247.063 2.403 10 0 BEAERN C[C@H](NC(=O)N1CCCC1(C)C)[C@H]1CCCO1 ZINC000077515956 537947855 /nfs/dbraw/zinc/94/78/55/537947855.db2.gz WTBSZZFLTKHONV-WDEREUQCSA-N 0 0 240.347 2.138 10 0 BEAERN C[C@H](NC(=O)N1CCCC1(C)C)[C@@H]1CCCO1 ZINC000077515947 537947944 /nfs/dbraw/zinc/94/79/44/537947944.db2.gz WTBSZZFLTKHONV-QWRGUYRKSA-N 0 0 240.347 2.138 10 0 BEAERN COC(=O)c1cnc2[nH]c(C)cc2c1Cl ZINC000096321054 346112990 /nfs/dbraw/zinc/11/29/90/346112990.db2.gz ZGNXPPAQNIVNAX-UHFFFAOYSA-N 0 0 224.647 2.311 10 0 BEAERN Cc1ccc2oc(-c3nc(CN)no3)cc2c1 ZINC000042894296 178985774 /nfs/dbraw/zinc/98/57/74/178985774.db2.gz YAKRJZPJQRWHTH-UHFFFAOYSA-N 0 0 229.239 2.250 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C1CCC=CCC1 ZINC000635982864 346136641 /nfs/dbraw/zinc/13/66/41/346136641.db2.gz IUXLDNZVLLWJHK-WCQYABFASA-N 0 0 237.343 2.105 10 0 BEAERN CCOC(=O)/C=C/[C@@H]1CCCC[C@@H]1C=O ZINC000150286534 346169881 /nfs/dbraw/zinc/16/98/81/346169881.db2.gz NWXUWDUIJWVWOJ-IAYMVZNDSA-N 0 0 210.273 2.111 10 0 BEAERN C[C@@H](CC(=O)N1CC=CCN1)CC(C)(C)C ZINC000628225151 346172489 /nfs/dbraw/zinc/17/24/89/346172489.db2.gz NTILETMKMCGLMZ-NSHDSACASA-N 0 0 224.348 2.352 10 0 BEAERN Cc1coc(S[C@@H]2CCCC[C@H]2O)n1 ZINC000235941027 346173637 /nfs/dbraw/zinc/17/36/37/346173637.db2.gz ZEYQHFLSPGWJPK-RKDXNWHRSA-N 0 0 213.302 2.379 10 0 BEAERN Cc1nc(-c2ccc(Cl)s2)cc(=O)[nH]1 ZINC000235949386 346174131 /nfs/dbraw/zinc/17/41/31/346174131.db2.gz IGMSZFWSSUBNDY-UHFFFAOYSA-N 0 0 226.688 2.460 10 0 BEAERN CO[C@H](C)CNc1cc(F)ccc1F ZINC000166980576 346174654 /nfs/dbraw/zinc/17/46/54/346174654.db2.gz DRUZKHWCAGMQET-SSDOTTSWSA-N 0 0 201.216 2.412 10 0 BEAERN CCOC(=O)c1cc(C=O)oc1C(F)F ZINC000669372673 537950522 /nfs/dbraw/zinc/95/05/22/537950522.db2.gz WCAMQPOHDQBGGM-UHFFFAOYSA-N 0 0 218.155 2.206 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CC[C@@H](C)[C@@H](C)C1 ZINC000669372718 537950663 /nfs/dbraw/zinc/95/06/63/537950663.db2.gz XLKZZSXQPPMRNL-LSCVPOLPSA-N 0 0 226.316 2.391 10 0 BEAERN O=C1C[C@@H](c2cc(F)ccc2Br)N1 ZINC000236156077 346200701 /nfs/dbraw/zinc/20/07/01/346200701.db2.gz BLCAAHOTZSJOFE-QMMMGPOBSA-N 0 0 244.063 2.149 10 0 BEAERN O=C(Nc1cccc2[nH]cnc21)C(F)(F)F ZINC000136264882 346182374 /nfs/dbraw/zinc/18/23/74/346182374.db2.gz UBUHGFFMICHVRW-UHFFFAOYSA-N 0 0 229.161 2.064 10 0 BEAERN CCN(CC)c1cccc(OC(C)=O)c1 ZINC000005316479 346185850 /nfs/dbraw/zinc/18/58/50/346185850.db2.gz SUQCWYXUPPYMOQ-UHFFFAOYSA-N 0 0 207.273 2.458 10 0 BEAERN O=CNc1cc(Br)cnc1Cl ZINC000236045700 346186494 /nfs/dbraw/zinc/18/64/94/346186494.db2.gz FPSMEWRMDFNKOK-UHFFFAOYSA-N 0 0 235.468 2.066 10 0 BEAERN Clc1ccc(NCc2ccncn2)nc1 ZINC000236060723 346187025 /nfs/dbraw/zinc/18/70/25/346187025.db2.gz WOFAFTRFVRTMQT-UHFFFAOYSA-N 0 0 220.663 2.137 10 0 BEAERN Cn1ncc(Cl)c1[C@H](O)[C@@H]1CC1(C)C ZINC000236087823 346191012 /nfs/dbraw/zinc/19/10/12/346191012.db2.gz KKNKPDXQYZSFFO-IMTBSYHQSA-N 0 0 214.696 2.153 10 0 BEAERN Cn1cc(N)c(-c2csc(Cl)c2)n1 ZINC000236102291 346196129 /nfs/dbraw/zinc/19/61/29/346196129.db2.gz HIRWJBGQOQPIGO-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN CC(C)(C)OC(=O)c1c(O)cccc1O ZINC000167092916 346196175 /nfs/dbraw/zinc/19/61/75/346196175.db2.gz LOAIEMGJNYJODE-UHFFFAOYSA-N 0 0 210.229 2.053 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCCc2ccccc21 ZINC000669375690 537955587 /nfs/dbraw/zinc/95/55/87/537955587.db2.gz QMZJLGYTHHROGX-LBPRGKRZSA-N 0 0 239.340 2.003 10 0 BEAERN Cc1cccc(C(=O)CN2CCCO[C@@H](C)C2)c1 ZINC000061919851 179004297 /nfs/dbraw/zinc/00/42/97/179004297.db2.gz ZGBRIODFVORUHA-ZDUSSCGKSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1cccc(C(=O)N(C)C[C@@H]2CCCO2)c1 ZINC000058965002 179004926 /nfs/dbraw/zinc/00/49/26/179004926.db2.gz LAFQHQMDMSNHEE-ZDUSSCGKSA-N 0 0 233.311 2.246 10 0 BEAERN Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1N ZINC000036782771 179005012 /nfs/dbraw/zinc/00/50/12/179005012.db2.gz LXTICUWVAGSTKA-JTQLQIEISA-N 0 0 232.327 2.448 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245901232 537957861 /nfs/dbraw/zinc/95/78/61/537957861.db2.gz LEUAYPDBIKIQJQ-GMTAPVOTSA-N 0 0 242.363 2.286 10 0 BEAERN Cc1cccc(C(=O)N(C)Cc2ccco2)c1N ZINC000035124645 179005666 /nfs/dbraw/zinc/00/56/66/179005666.db2.gz ZOUXLEXNIBCVNA-UHFFFAOYSA-N 0 0 244.294 2.442 10 0 BEAERN Cc1cccc(C(=O)N2CCCC[C@@H](CO)C2)c1 ZINC000378199921 179007610 /nfs/dbraw/zinc/00/76/10/179007610.db2.gz FZEVVCGMDTTXCK-CYBMUJFWSA-N 0 0 247.338 2.230 10 0 BEAERN Cc1cccc(C(=O)N2CCCC[C@H](CO)C2)c1 ZINC000378199922 179008164 /nfs/dbraw/zinc/00/81/64/179008164.db2.gz FZEVVCGMDTTXCK-ZDUSSCGKSA-N 0 0 247.338 2.230 10 0 BEAERN CO[C@H](C)C[C@H]1Cc2ccccc2C1=O ZINC000167253491 346223540 /nfs/dbraw/zinc/22/35/40/346223540.db2.gz HZWLBQKUKVATID-KOLCDFICSA-N 0 0 204.269 2.467 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@H](C)C2)c1N ZINC000022142959 179008987 /nfs/dbraw/zinc/00/89/87/179008987.db2.gz XCJHHJQUYOZXKX-JTQLQIEISA-N 0 0 232.327 2.449 10 0 BEAERN N[C@H](C1=CCCO1)c1ncccc1Cl ZINC000236317410 346224872 /nfs/dbraw/zinc/22/48/72/346224872.db2.gz RYMRACBOCXAKRD-SECBINFHSA-N 0 0 210.664 2.039 10 0 BEAERN O=C(Cc1cccs1)[C@@H]1CCCOC1 ZINC000062236725 346225576 /nfs/dbraw/zinc/22/55/76/346225576.db2.gz RBCFXHTWCDNKAQ-SECBINFHSA-N 0 0 210.298 2.286 10 0 BEAERN O=C(c1ccccc1)c1ccccc1CO ZINC000034216122 346226435 /nfs/dbraw/zinc/22/64/35/346226435.db2.gz LQMCLODQWWUWLH-UHFFFAOYSA-N 0 0 212.248 2.410 10 0 BEAERN O[C@@H](c1cscn1)c1ccc(F)cc1 ZINC000062359164 346242576 /nfs/dbraw/zinc/24/25/76/346242576.db2.gz HSXVVHBJPHMROK-SNVBAGLBSA-N 0 0 209.245 2.364 10 0 BEAERN CC(C)(C)N1Cc2c(cccc2N)C1=O ZINC000147865511 537958836 /nfs/dbraw/zinc/95/88/36/537958836.db2.gz WYYHSHNASPPXAX-UHFFFAOYSA-N 0 0 204.273 2.023 10 0 BEAERN O[C@@H](c1ccc(Cl)o1)C1CCOCC1 ZINC000236540344 346247824 /nfs/dbraw/zinc/24/78/24/346247824.db2.gz BTYMRLCZVHHECJ-SNVBAGLBSA-N 0 0 216.664 2.393 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(OC)c1O ZINC000034338480 346247826 /nfs/dbraw/zinc/24/78/26/346247826.db2.gz USDLJVFGAWPXMX-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CC[C@@H](c1cccc(Cl)c1)S(=O)(=O)NC ZINC000669375675 537959310 /nfs/dbraw/zinc/95/93/10/537959310.db2.gz QHZHFXDGILJHMQ-JTQLQIEISA-N 0 0 247.747 2.340 10 0 BEAERN S=c1[nH]ccc2cc3c(cc21)OCO3 ZINC000236605016 346257525 /nfs/dbraw/zinc/25/75/25/346257525.db2.gz WYWVWENCQYWVJQ-UHFFFAOYSA-N 0 0 205.238 2.252 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)C2CC2)c1N ZINC000035141244 179023660 /nfs/dbraw/zinc/02/36/60/179023660.db2.gz UIWXNAVUTNRKNT-SECBINFHSA-N 0 0 218.300 2.106 10 0 BEAERN COc1ccc([C@@H](N)C(=O)C2CCC2)cc1 ZINC000669376655 537962778 /nfs/dbraw/zinc/96/27/78/537962778.db2.gz FTKHJPOGXXXXOM-GFCCVEGCSA-N 0 0 219.284 2.064 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2C[C@H]2C)c1F ZINC000161581025 179024722 /nfs/dbraw/zinc/02/47/22/179024722.db2.gz QNUXDVHVCLCGSF-SCZZXKLOSA-N 0 0 207.248 2.272 10 0 BEAERN Cc1cccc(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077206578 179018851 /nfs/dbraw/zinc/01/88/51/179018851.db2.gz LFWBLFDUOMMUGZ-ZIAGYGMSSA-N 0 0 247.338 2.276 10 0 BEAERN C[C@H]1CC(=O)c2cc(Cl)ccc2[S@@]1=O ZINC000034432160 346282256 /nfs/dbraw/zinc/28/22/56/346282256.db2.gz GFTINLQPJYHDSC-MDAAJZPYSA-N 0 0 228.700 2.423 10 0 BEAERN Cc1n[nH]c2cc(Cl)c(F)cc2c1=O ZINC000669376794 537962624 /nfs/dbraw/zinc/96/26/24/537962624.db2.gz RPNCMWSIMQSQFK-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN O=C(CCCSCCO)c1ccccc1 ZINC000034491753 346299570 /nfs/dbraw/zinc/29/95/70/346299570.db2.gz SAGDTTIQGFJUNH-UHFFFAOYSA-N 0 0 224.325 2.375 10 0 BEAERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1C[C@H]1C ZINC000332938557 537966175 /nfs/dbraw/zinc/96/61/75/537966175.db2.gz PENRDRYXRSCVLM-XCBNKYQSSA-N 0 0 234.299 2.074 10 0 BEAERN CCCNC(=O)Nc1cccc2c1CCN2 ZINC000669378620 537967916 /nfs/dbraw/zinc/96/79/16/537967916.db2.gz JKVZPNUYHRORGT-UHFFFAOYSA-N 0 0 219.288 2.186 10 0 BEAERN Cc1cccc(C)c1N[C@@H]1CCOC1=O ZINC000039236717 179045056 /nfs/dbraw/zinc/04/50/56/179045056.db2.gz QNCHSVFDXFQFLD-SNVBAGLBSA-N 0 0 205.257 2.031 10 0 BEAERN Cc1cccc(CCCSC[C@@H](O)CO)c1 ZINC000182364553 179055601 /nfs/dbraw/zinc/05/56/01/179055601.db2.gz XLIJLTAOQJRWKC-ZDUSSCGKSA-N 0 0 240.368 2.014 10 0 BEAERN COc1nn(C)cc1NC1CC(C(C)C)C1 ZINC000381578541 346382796 /nfs/dbraw/zinc/38/27/96/346382796.db2.gz DHSYPTVLMWUFSI-UHFFFAOYSA-N 0 0 223.320 2.275 10 0 BEAERN Cc1cc(NC(=O)C(F)(F)F)ccc1O ZINC000148662326 346383576 /nfs/dbraw/zinc/38/35/76/346383576.db2.gz GDRBMKNCXJKGML-UHFFFAOYSA-N 0 0 219.162 2.201 10 0 BEAERN Cc1cc(C)cc(C[C@H](O)C(F)F)c1 ZINC000157645587 346384388 /nfs/dbraw/zinc/38/43/88/346384388.db2.gz KFKJRLMVMDSRIN-JTQLQIEISA-N 0 0 200.228 2.472 10 0 BEAERN Cc1cccc(CNCc2cccc(O)c2)n1 ZINC000048329634 179096232 /nfs/dbraw/zinc/09/62/32/179096232.db2.gz VKMQPHALCKXGOR-UHFFFAOYSA-N 0 0 228.295 2.385 10 0 BEAERN COCC(=O)[C@H]1CCCc2sccc21 ZINC000161265868 346482195 /nfs/dbraw/zinc/48/21/95/346482195.db2.gz BFHGHTHGEBGHLG-QMMMGPOBSA-N 0 0 210.298 2.384 10 0 BEAERN CC(C)C(=O)Cc1cn2ccsc2n1 ZINC000149003126 346512962 /nfs/dbraw/zinc/51/29/62/346512962.db2.gz UZLFFFWGLDWNLP-UHFFFAOYSA-N 0 0 208.286 2.163 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)CC(C)C ZINC000037098824 179119337 /nfs/dbraw/zinc/11/93/37/179119337.db2.gz YZPMMUNMAIAYJO-UHFFFAOYSA-N 0 0 220.316 2.305 10 0 BEAERN CC(C)(C)OC(=O)NCC(=O)Cc1ccccc1 ZINC000149048784 346530220 /nfs/dbraw/zinc/53/02/20/346530220.db2.gz SEAKODXEERHRIJ-UHFFFAOYSA-N 0 0 249.310 2.323 10 0 BEAERN Cc1cccc(N(C)C[C@H](O)C(F)(F)F)c1 ZINC000109706824 179115233 /nfs/dbraw/zinc/11/52/33/179115233.db2.gz DJCBZTLHETVHKZ-JTQLQIEISA-N 0 0 233.233 2.354 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)c1ccccn1 ZINC000019812083 179119143 /nfs/dbraw/zinc/11/91/43/179119143.db2.gz SKJPHILHSLSOPC-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CC(C)(C)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000192772730 365822453 /nfs/dbraw/zinc/82/24/53/365822453.db2.gz LLJSSKRKWTWEGC-QWRGUYRKSA-N 0 0 235.327 2.374 10 0 BEAERN CC(=O)CCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000201809881 346577351 /nfs/dbraw/zinc/57/73/51/346577351.db2.gz OLJYZAYNXFAULW-JTQLQIEISA-N 0 0 223.272 2.134 10 0 BEAERN CC(=O)CCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000203097261 346620741 /nfs/dbraw/zinc/62/07/41/346620741.db2.gz HTBDHKJZKGEMIZ-CHWSQXEVSA-N 0 0 231.295 2.028 10 0 BEAERN CC[C@](O)(c1ccc(F)cn1)C(F)F ZINC000164277428 346598099 /nfs/dbraw/zinc/59/80/99/346598099.db2.gz LBSRGKLRTZACBK-VIFPVBQESA-N 0 0 205.179 2.083 10 0 BEAERN CNC1(C(F)(F)F)CCC(OC)CC1 ZINC000164336133 346601537 /nfs/dbraw/zinc/60/15/37/346601537.db2.gz AYOROLDZNCUHFQ-UHFFFAOYSA-N 0 0 211.227 2.096 10 0 BEAERN Brc1ccc(N2CCCCO2)nc1 ZINC000164389468 346603332 /nfs/dbraw/zinc/60/33/32/346603332.db2.gz CQISJMMAPNNYEO-UHFFFAOYSA-N 0 0 243.104 2.376 10 0 BEAERN CC[C@@H](C)Cc1nnc2cncc(Cl)n21 ZINC000164426919 346604667 /nfs/dbraw/zinc/60/46/67/346604667.db2.gz KMWYBVYLTMDKNF-SSDOTTSWSA-N 0 0 224.695 2.366 10 0 BEAERN Cc1cccc(NC(=O)CN(C)CC(F)F)c1 ZINC000103489891 179127198 /nfs/dbraw/zinc/12/71/98/179127198.db2.gz OXUITHCVECAUBO-UHFFFAOYSA-N 0 0 242.269 2.130 10 0 BEAERN CC(C)(CO)SCC(=O)c1ccccc1 ZINC000381852840 346610805 /nfs/dbraw/zinc/61/08/05/346610805.db2.gz GAEIZEFYGXAIAA-UHFFFAOYSA-N 0 0 224.325 2.373 10 0 BEAERN C[C@]1(C(=O)[C@@H]2CCCCO2)CCCS1 ZINC000164751347 346622993 /nfs/dbraw/zinc/62/29/93/346622993.db2.gz ABVAJZLREXXWIH-GXSJLCMTSA-N 0 0 214.330 2.410 10 0 BEAERN Cc1cccc(N)c1C(=O)NC(C)(C)C ZINC000022175454 179119529 /nfs/dbraw/zinc/11/95/29/179119529.db2.gz HMZMMUQGXZNHOC-UHFFFAOYSA-N 0 0 206.289 2.106 10 0 BEAERN Cc1nc(Cl)cc(=O)n1Cc1ccccc1 ZINC000164701912 346618304 /nfs/dbraw/zinc/61/83/04/346618304.db2.gz IGBSFNYZFOZVLK-UHFFFAOYSA-N 0 0 234.686 2.253 10 0 BEAERN Cc1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)c1 ZINC000089165021 179134508 /nfs/dbraw/zinc/13/45/08/179134508.db2.gz NMIZGWVQHVIPTA-AAEUAGOBSA-N 0 0 248.326 2.278 10 0 BEAERN CNC(=O)c1cc(Cl)c(Cl)nc1Cl ZINC000585681293 346653723 /nfs/dbraw/zinc/65/37/23/346653723.db2.gz RAUXHBFXVQQVBA-UHFFFAOYSA-N 0 0 239.489 2.401 10 0 BEAERN CSCCC(=O)Nc1cccc(O)c1 ZINC000020252727 259392917 /nfs/dbraw/zinc/39/29/17/259392917.db2.gz WCRNWADJFIPXTB-UHFFFAOYSA-N 0 0 211.286 2.084 10 0 BEAERN CC(=O)CCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000203511555 346636773 /nfs/dbraw/zinc/63/67/73/346636773.db2.gz KYICKQLVVKMSQN-UWVGGRQHSA-N 0 0 211.305 2.003 10 0 BEAERN CC(=O)CCC(=O)N[C@@H](C)C1CCCC1 ZINC000203580887 346640293 /nfs/dbraw/zinc/64/02/93/346640293.db2.gz NWZIRRJZDOETDS-JTQLQIEISA-N 0 0 211.305 2.051 10 0 BEAERN Cc1cccc(NCCN2CCO[C@H](C)C2)c1 ZINC000053343874 179145402 /nfs/dbraw/zinc/14/54/02/179145402.db2.gz KRFQBHVEGVBVED-CYBMUJFWSA-N 0 0 234.343 2.128 10 0 BEAERN Cc1cccnc1Cn1ccc(C=O)c1 ZINC000167070098 346697140 /nfs/dbraw/zinc/69/71/40/346697140.db2.gz PFWUUBXAZNXOSK-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Cc1cccc(N[C@H](C)C(=O)N(C)C)c1C ZINC000058181507 179155806 /nfs/dbraw/zinc/15/58/06/179155806.db2.gz XPVOZWJHNXZIHH-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN COc1ccc(-c2cccc(N)n2)cc1C=O ZINC000725242661 537986318 /nfs/dbraw/zinc/98/63/18/537986318.db2.gz RELANLCXDROZGZ-UHFFFAOYSA-N 0 0 228.251 2.152 10 0 BEAERN COC(=O)C1=C(O)[C@H](c2ccccc2)CCC1 ZINC000168771257 346743158 /nfs/dbraw/zinc/74/31/58/346743158.db2.gz SZKVDOPDAHZUIS-NWDGAFQWSA-N 0 0 232.279 2.312 10 0 BEAERN O=C(CC(F)(F)F)Nc1nccnc1Cl ZINC000230686183 346755677 /nfs/dbraw/zinc/75/56/77/346755677.db2.gz LCCDVOCIGRMKJZ-UHFFFAOYSA-N 0 0 239.584 2.021 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189942000 179160939 /nfs/dbraw/zinc/16/09/39/179160939.db2.gz XMMDGVQQISDVLL-MNOVXSKESA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cccc(OCCN2CCC(=O)C[C@H]2C)c1 ZINC000042896900 179167287 /nfs/dbraw/zinc/16/72/87/179167287.db2.gz LEALDUPTPNBORJ-CYBMUJFWSA-N 0 0 247.338 2.427 10 0 BEAERN CCc1nc(CCNc2ncc(C)s2)no1 ZINC000309621808 347123013 /nfs/dbraw/zinc/12/30/13/347123013.db2.gz FNJDZEQKZQVPDN-UHFFFAOYSA-N 0 0 238.316 2.052 10 0 BEAERN Cc1cccc(S(=O)(=O)C2CCC2)c1 ZINC000039108993 179176234 /nfs/dbraw/zinc/17/62/34/179176234.db2.gz KYWCBTUISVILQB-UHFFFAOYSA-N 0 0 210.298 2.321 10 0 BEAERN CCOC(=O)[C@@H]1CC[C@H](c2ccc(C)cc2)N1 ZINC000039020078 347175043 /nfs/dbraw/zinc/17/50/43/347175043.db2.gz SMUGUNFHUFWAIU-OLZOCXBDSA-N 0 0 233.311 2.351 10 0 BEAERN COC(=O)/C=C1\CCc2cc(OC)ccc2C1 ZINC000039120639 347179167 /nfs/dbraw/zinc/17/91/67/347179167.db2.gz ZEIISBHTJMDPFS-CSKARUKUSA-N 0 0 232.279 2.283 10 0 BEAERN CCc1[nH]c2ccc(OC)cc2c1CC(=O)OC ZINC000039151585 347181304 /nfs/dbraw/zinc/18/13/04/347181304.db2.gz DWESVWYMRUKKMY-UHFFFAOYSA-N 0 0 247.294 2.454 10 0 BEAERN COc1ccc(-c2cccc(=O)c(O)c2O)cc1 ZINC000039151363 347181383 /nfs/dbraw/zinc/18/13/83/347181383.db2.gz FZVVMVJRJPESNG-UHFFFAOYSA-N 0 0 244.246 2.134 10 0 BEAERN NC(=O)c1cccc2cc(-c3ccncc3)cnc21 ZINC000059086151 347227481 /nfs/dbraw/zinc/22/74/81/347227481.db2.gz NTYSAUBYAYBFMP-UHFFFAOYSA-N 0 0 249.273 2.396 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000187964686 347270378 /nfs/dbraw/zinc/27/03/78/347270378.db2.gz NSWANSZQHREGTC-IJLUTSLNSA-N 0 0 227.348 2.210 10 0 BEAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190436320 347330439 /nfs/dbraw/zinc/33/04/39/347330439.db2.gz HSIHRDHCABGCII-LPWJVIDDSA-N 0 0 239.359 2.496 10 0 BEAERN Clc1cnc2c(c1)NC[C@H]1CCCN21 ZINC000149595423 347354719 /nfs/dbraw/zinc/35/47/19/347354719.db2.gz SOPZXRMRUYXMRI-MRVPVSSYSA-N 0 0 209.680 2.129 10 0 BEAERN CC[C@H](CSC)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189998401 347318530 /nfs/dbraw/zinc/31/85/30/347318530.db2.gz BYFZAHAYTWDADL-MXWKQRLJSA-N 0 0 245.388 2.059 10 0 BEAERN CCC(=O)Nc1ccc(-n2[nH]c(C)cc2=O)cc1 ZINC000168900244 347405752 /nfs/dbraw/zinc/40/57/52/347405752.db2.gz LQOAAJMJOIDWDM-UHFFFAOYSA-N 0 0 245.282 2.148 10 0 BEAERN O=C(OCc1ccccc1)[C@H]1CCC[C@H](O)C1 ZINC000118826757 347365853 /nfs/dbraw/zinc/36/58/53/347365853.db2.gz NEAMXHCILVUVBV-STQMWFEESA-N 0 0 234.295 2.281 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CCN1 ZINC000138276887 347368132 /nfs/dbraw/zinc/36/81/32/347368132.db2.gz BFQQCYSPWIXGQG-OLZOCXBDSA-N 0 0 233.311 2.085 10 0 BEAERN CC(C)c1cc(Cl)nc(-c2nc[nH]n2)n1 ZINC000036755708 347449362 /nfs/dbraw/zinc/44/93/62/347449362.db2.gz HLGOVJSXFUCBFV-UHFFFAOYSA-N 0 0 223.667 2.039 10 0 BEAERN CCC(CC)NC(=O)N1CCC[C@H](COC)C1 ZINC000113577076 535062462 /nfs/dbraw/zinc/06/24/62/535062462.db2.gz AJIRTZWUZSPKSC-NSHDSACASA-N 0 0 242.363 2.243 10 0 BEAERN CC[C@@H](C)Cc1nc2cc(C)cc(O)n2n1 ZINC000725243158 537991009 /nfs/dbraw/zinc/99/10/09/537991009.db2.gz NCGZPQRVMQYLSI-MRVPVSSYSA-N 0 0 219.288 2.332 10 0 BEAERN Cc1ccccc1C(=O)c1cc(C=O)n(C)c1 ZINC000009280519 179253342 /nfs/dbraw/zinc/25/33/42/179253342.db2.gz LCEGDEWQIPQTOF-UHFFFAOYSA-N 0 0 227.263 2.377 10 0 BEAERN CCc1nc2cc(C(C)C)cc(O)n2n1 ZINC000725243099 537991039 /nfs/dbraw/zinc/99/10/39/537991039.db2.gz KNUBZKMMNXQBTO-UHFFFAOYSA-N 0 0 205.261 2.121 10 0 BEAERN Cc1nc2cc(C3CCCC3)cc(O)n2n1 ZINC000725243364 537991047 /nfs/dbraw/zinc/99/10/47/537991047.db2.gz ZHVQXWCKHOVPHW-UHFFFAOYSA-N 0 0 217.272 2.401 10 0 BEAERN C[C@@H](Nc1cc(F)ncn1)c1ccco1 ZINC000149986745 347579394 /nfs/dbraw/zinc/57/93/94/347579394.db2.gz OTEBRVDANGGCHJ-SSDOTTSWSA-N 0 0 207.208 2.382 10 0 BEAERN COC(=O)[C@]1(CC(C)C)O[C@]12C[C@@H](C)[C@@H]2C ZINC000669384654 537992100 /nfs/dbraw/zinc/99/21/00/537992100.db2.gz ZHAXUSVURBEICX-URBCHYCLSA-N 0 0 226.316 2.389 10 0 BEAERN Cc1ccccc1CNC(=O)N[C@H]1C[C@@H]1C ZINC000075982292 179279385 /nfs/dbraw/zinc/27/93/85/179279385.db2.gz GWYMDNBTKJBFGA-JQWIXIFHSA-N 0 0 218.300 2.203 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)NCc1ccccc1C ZINC000048266070 179279922 /nfs/dbraw/zinc/27/99/22/179279922.db2.gz LFCLSTFHUCKPKB-UHFFFAOYSA-N 0 0 243.310 2.265 10 0 BEAERN Cc1ccccc1CNc1cnns1 ZINC000083344417 179286291 /nfs/dbraw/zinc/28/62/91/179286291.db2.gz SAQIYAYHJTXVNW-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CCC[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)C(=O)OCC ZINC000592182386 347759533 /nfs/dbraw/zinc/75/95/33/347759533.db2.gz SLTIAPVEVYAXBR-LOWDOPEQSA-N 0 0 239.359 2.496 10 0 BEAERN CCCC[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)C(=O)OC ZINC000592182806 347759820 /nfs/dbraw/zinc/75/98/20/347759820.db2.gz VNJAQGKLTUGBOG-LOWDOPEQSA-N 0 0 239.359 2.496 10 0 BEAERN CCCC(CC)(C(=O)OCC)C(=O)OCC ZINC000002515956 168579008 /nfs/dbraw/zinc/57/90/08/168579008.db2.gz ZXENWBHSTGAEEW-UHFFFAOYSA-N 0 0 230.304 2.309 10 0 BEAERN CC(=O)c1cc(N)c(F)cc1Br ZINC000616569590 347801179 /nfs/dbraw/zinc/80/11/79/347801179.db2.gz WKCWYIKMJSXPJO-UHFFFAOYSA-N 0 0 232.052 2.373 10 0 BEAERN COc1ccc(Cc2nc(C(C)=O)c[nH]2)cc1 ZINC000196188603 347818400 /nfs/dbraw/zinc/81/84/00/347818400.db2.gz RUDUCDCPLHTLHR-UHFFFAOYSA-N 0 0 230.267 2.212 10 0 BEAERN CCCc1cc(C(=O)OCC)nc(Cl)n1 ZINC000669380871 537992956 /nfs/dbraw/zinc/99/29/56/537992956.db2.gz ZIHJTYPZYHABPM-UHFFFAOYSA-N 0 0 228.679 2.259 10 0 BEAERN CCO[P@@](=O)(OC)c1ccccc1 ZINC000196087015 347786602 /nfs/dbraw/zinc/78/66/02/347786602.db2.gz YDEBUXIHAJWXQR-ZDUSSCGKSA-N 0 0 200.174 2.188 10 0 BEAERN Cc1cc2nc(C3CCC3)nn2c(O)c1 ZINC000725243253 537992769 /nfs/dbraw/zinc/99/27/69/537992769.db2.gz SLPLENJGGKTXFV-UHFFFAOYSA-N 0 0 203.245 2.011 10 0 BEAERN Cc1ccccc1NCC(=O)NC(C)(C)C ZINC000020056207 179304591 /nfs/dbraw/zinc/30/45/91/179304591.db2.gz PCRSHVRPKDOULJ-UHFFFAOYSA-N 0 0 220.316 2.322 10 0 BEAERN Cc1nn(C)c(Nc2ccccc2C)c1N ZINC000036749225 179308190 /nfs/dbraw/zinc/30/81/90/179308190.db2.gz LQERYMJESJFRCV-UHFFFAOYSA-N 0 0 216.288 2.363 10 0 BEAERN Cc1ccccc1N[C@@](C)(C(N)=O)C(C)C ZINC000037942050 179306947 /nfs/dbraw/zinc/30/69/47/179306947.db2.gz AEHPGQHEKHMKCD-CYBMUJFWSA-N 0 0 220.316 2.307 10 0 BEAERN O=C1c2ccccc2[C@@H]2CCCC[C@]12OCCO ZINC000196495370 347909787 /nfs/dbraw/zinc/90/97/87/347909787.db2.gz PZLUFHNWRVRWKW-DZGCQCFKSA-N 0 0 246.306 2.288 10 0 BEAERN Cc1nc2c(cnn2CC(C)C)c(Cl)n1 ZINC000036928368 347964534 /nfs/dbraw/zinc/96/45/34/347964534.db2.gz PRXBXCGJOOGBGC-UHFFFAOYSA-N 0 0 224.695 2.444 10 0 BEAERN Cc1ccccc1[C@@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000037967447 179326103 /nfs/dbraw/zinc/32/61/03/179326103.db2.gz VVOJENAMYBDMDM-GFCCVEGCSA-N 0 0 219.284 2.120 10 0 BEAERN C=CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037012521 348010560 /nfs/dbraw/zinc/01/05/60/348010560.db2.gz KXXKPDSGQYBHOZ-HTQZYQBOSA-N 0 0 221.222 2.410 10 0 BEAERN Nc1cc(Br)ccc1SCCO ZINC000037117030 348019121 /nfs/dbraw/zinc/01/91/21/348019121.db2.gz KZGWDLAZHLUIDL-UHFFFAOYSA-N 0 0 248.145 2.116 10 0 BEAERN Cc1ccccc1[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000037183039 179333360 /nfs/dbraw/zinc/33/33/60/179333360.db2.gz BAHZVISTUPSJIA-CYBMUJFWSA-N 0 0 221.300 2.293 10 0 BEAERN C=C(C)[C@H]1Cc2c(ccc(C=O)c2O)O1 ZINC000196842644 348032966 /nfs/dbraw/zinc/03/29/66/348032966.db2.gz MUUPNIQFJFPAAN-LLVKDONJSA-N 0 0 204.225 2.084 10 0 BEAERN Nc1c[nH]c2c1c(F)c(F)c(F)c2F ZINC000669382149 537997079 /nfs/dbraw/zinc/99/70/79/537997079.db2.gz HMACELIACFPPAW-UHFFFAOYSA-N 0 0 204.126 2.307 10 0 BEAERN O=C(C(F)F)N1CCC(c2nccs2)CC1 ZINC000373322969 187386738 /nfs/dbraw/zinc/38/67/38/187386738.db2.gz KHZIHOALHPGICQ-UHFFFAOYSA-N 0 0 246.282 2.114 10 0 BEAERN CCOC(=O)[C@@H]1Cc2ccc(C(C)=O)cc2C1 ZINC000216136479 349982233 /nfs/dbraw/zinc/98/22/33/349982233.db2.gz UEZLJJAVQVKWPI-CYBMUJFWSA-N 0 0 232.279 2.167 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669382370 537999553 /nfs/dbraw/zinc/99/95/53/537999553.db2.gz GZVAKJKPAHJUTM-RSLMWUCJSA-N 0 0 224.300 2.287 10 0 BEAERN CC[C@@H]1CCCCC[C@@]12O[C@@H]2C(=O)OC ZINC000669382171 537998778 /nfs/dbraw/zinc/99/87/78/537998778.db2.gz BELVBADZAGUGDX-CKYFFXLPSA-N 0 0 212.289 2.287 10 0 BEAERN CC(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000103473084 187391531 /nfs/dbraw/zinc/39/15/31/187391531.db2.gz LIBHCEZKEZRGSF-LLVKDONJSA-N 0 0 238.356 2.302 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C2CC2)C2CCCC2)O1 ZINC000152400443 323180682 /nfs/dbraw/zinc/18/06/82/323180682.db2.gz NILIYDXGQKEBCA-ZWNOBZJWSA-N 0 0 237.343 2.488 10 0 BEAERN Cc1cccnc1Oc1ncccc1N ZINC000000481261 179395077 /nfs/dbraw/zinc/39/50/77/179395077.db2.gz DBIRLLRWCKHXIP-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CC(C)[C@H](C)Nc1ncnc2ccncc21 ZINC000336696641 187393758 /nfs/dbraw/zinc/39/37/58/187393758.db2.gz YUINOPCUNLLVTJ-VIFPVBQESA-N 0 0 216.288 2.481 10 0 BEAERN C[C@@H]1C[NH2+][C@]2(CCN(Cc3ccccc3)C2)S1 ZINC000159136196 348302792 /nfs/dbraw/zinc/30/27/92/348302792.db2.gz GKZOUYGOKJLIIK-TZMCWYRMSA-N 0 0 248.395 2.314 10 0 BEAERN Cc1cccnc1NC(=O)Cc1cccc(N)c1 ZINC000052922300 179390179 /nfs/dbraw/zinc/39/01/79/179390179.db2.gz WJNMXRWKAKALIP-UHFFFAOYSA-N 0 0 241.294 2.153 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@]2(CO2)C(F)(F)C1 ZINC000669382091 538001989 /nfs/dbraw/zinc/00/19/89/538001989.db2.gz GFTHGIFRDBRDLI-SNVBAGLBSA-N 0 0 249.257 2.032 10 0 BEAERN Cc1cccnc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000188805581 179392188 /nfs/dbraw/zinc/39/21/88/179392188.db2.gz VOXCGSWEJBSXFZ-MNOVXSKESA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cccnc1NC(=O)[C@H](C)C1CCOCC1 ZINC000120041355 179392778 /nfs/dbraw/zinc/39/27/78/179392778.db2.gz IBTYZSSPFOTXMZ-LLVKDONJSA-N 0 0 248.326 2.391 10 0 BEAERN Cc1cccnc1NC(=O)c1sccc1N ZINC000040301706 179393925 /nfs/dbraw/zinc/39/39/25/179393925.db2.gz WJHPGJCIJGDNGA-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN CC(=O)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000041531593 187394757 /nfs/dbraw/zinc/39/47/57/187394757.db2.gz YNSMQHRGEZYEEO-AWEZNQCLSA-N 0 0 244.269 2.446 10 0 BEAERN CC(=O)Nc1cccc(C(=O)N(C)CC(C)C)c1 ZINC000045469936 187395066 /nfs/dbraw/zinc/39/50/66/187395066.db2.gz DPUDPDAPHIKGLI-UHFFFAOYSA-N 0 0 248.326 2.373 10 0 BEAERN Cc1nccc(CNc2ccccc2N(C)C)n1 ZINC000054790488 187395089 /nfs/dbraw/zinc/39/50/89/187395089.db2.gz XJXHZUYIDUQPRE-UHFFFAOYSA-N 0 0 242.326 2.463 10 0 BEAERN Cc1ccnc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000301360619 179427852 /nfs/dbraw/zinc/42/78/52/179427852.db2.gz OPHAYNUVZFWISZ-UTUOFQBUSA-N 0 0 247.342 2.035 10 0 BEAERN CN(C(=O)Cc1ccccc1)C(C)(C)C ZINC000204839267 348412233 /nfs/dbraw/zinc/41/22/33/348412233.db2.gz WXIKWQWXGSKDFU-UHFFFAOYSA-N 0 0 205.301 2.486 10 0 BEAERN Fc1ccc(OC(F)F)c(C[C@@H]2CO2)c1 ZINC000669382643 538003388 /nfs/dbraw/zinc/00/33/88/538003388.db2.gz IDGBVQZILLIFAG-MRVPVSSYSA-N 0 0 218.174 2.368 10 0 BEAERN CC(C)(C)[C@@H](O)Cn1cc(Br)cn1 ZINC000072219946 187396308 /nfs/dbraw/zinc/39/63/08/187396308.db2.gz YFUCZBSRFZJZGN-QMMMGPOBSA-N 0 0 247.136 2.053 10 0 BEAERN C[Si](C)(C)CCSC[C@H]1COCO1 ZINC000725245926 538004592 /nfs/dbraw/zinc/00/45/92/538004592.db2.gz NVJJVEYAAXMMBV-SECBINFHSA-N 0 0 220.410 2.431 10 0 BEAERN CCc1cc(N)n(-c2cc(F)ccc2F)n1 ZINC000669382922 538004827 /nfs/dbraw/zinc/00/48/27/538004827.db2.gz NTYLJHZWBRXDIF-UHFFFAOYSA-N 0 0 223.226 2.295 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCCCC[C@H]2C ZINC000669382724 538005242 /nfs/dbraw/zinc/00/52/42/538005242.db2.gz KGPJJXYECQROEE-SCVCMEIPSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ccnc(Oc2cccc(N)c2)n1 ZINC000061859542 179463766 /nfs/dbraw/zinc/46/37/66/179463766.db2.gz MNJUSMLHEICYAQ-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN O=Cc1cnn(CCCc2ccccc2)c1 ZINC000054716149 348466476 /nfs/dbraw/zinc/46/64/76/348466476.db2.gz UWFKDOMLNVPYNX-UHFFFAOYSA-N 0 0 214.268 2.328 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12C[C@@H]1CCCC[C@@H]12 ZINC000669383070 538006151 /nfs/dbraw/zinc/00/61/51/538006151.db2.gz MGNRVKPYKACDPG-OINDSLJFSA-N 0 0 230.691 2.074 10 0 BEAERN CCCc1nccnc1NCC1(SC)CC1 ZINC000596216200 348468291 /nfs/dbraw/zinc/46/82/91/348468291.db2.gz WJIVDOMOQWZHQT-UHFFFAOYSA-N 0 0 237.372 2.159 10 0 BEAERN CCCC[C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCC[N@H+]12 ZINC000669382972 538006749 /nfs/dbraw/zinc/00/67/49/538006749.db2.gz QCORUKFZTKNLCS-VWYCJHECSA-N 0 0 211.305 2.114 10 0 BEAERN CC(C)(C[C@H](C[NH3+])C(=O)[O-])c1ccccc1 ZINC000725246244 538006296 /nfs/dbraw/zinc/00/62/96/538006296.db2.gz MFSUSBCDOPQHKG-SNVBAGLBSA-N 0 0 221.300 2.014 10 0 BEAERN COc1ncc(-c2ccsc2C=O)cn1 ZINC000725246236 538006379 /nfs/dbraw/zinc/00/63/79/538006379.db2.gz SNYYCSDZQSMILY-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN CC[C@@]1(C)O[C@]1(CC(C)C)C(=O)OC ZINC000669383402 538008731 /nfs/dbraw/zinc/00/87/31/538008731.db2.gz HLXDANZFIMHIMA-GHMZBOCLSA-N 0 0 200.278 2.143 10 0 BEAERN O=C1OC[C@@H]2CCc3ccccc3C=C[C@@H]12 ZINC000048522926 348658220 /nfs/dbraw/zinc/65/82/20/348658220.db2.gz OSRNKRFHCGGMKD-QWHCGFSZSA-N 0 0 214.264 2.435 10 0 BEAERN C[C@H]1C[C@H]1Nc1nnc(-c2ccccn2)s1 ZINC000273571353 187399738 /nfs/dbraw/zinc/39/97/38/187399738.db2.gz DFWOMLQVSFBSJL-IONNQARKSA-N 0 0 232.312 2.420 10 0 BEAERN COC(=O)[C@]1(CC(C)C)O[C@]12CC[C@@H]1C[C@@H]12 ZINC000669383168 538009337 /nfs/dbraw/zinc/00/93/37/538009337.db2.gz GMKBORFGPDERFB-URBCHYCLSA-N 0 0 224.300 2.143 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]1(C)C1CCCC1 ZINC000669383698 538011080 /nfs/dbraw/zinc/01/10/80/538011080.db2.gz JQXQNDGBMHVQHF-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1c(N)cn(C(C)C)c(=O)c1Br ZINC000725246991 538011647 /nfs/dbraw/zinc/01/16/47/538011647.db2.gz CRGKVLRQDQFZOL-UHFFFAOYSA-N 0 0 245.120 2.082 10 0 BEAERN CC[C@H](C)n1c2ccc(N)cc2oc1=O ZINC000725247417 538011675 /nfs/dbraw/zinc/01/16/75/538011675.db2.gz UYICEMWSWDLWCK-ZETCQYMHSA-N 0 0 206.245 2.148 10 0 BEAERN COc1ccccc1C1(O)CCSCC1 ZINC000084423260 348808532 /nfs/dbraw/zinc/80/85/32/348808532.db2.gz VVBFSAYJMALRRR-UHFFFAOYSA-N 0 0 224.325 2.410 10 0 BEAERN COc1ccc([C@]2(O)CCCSC2)cc1 ZINC000084423268 348809111 /nfs/dbraw/zinc/80/91/11/348809111.db2.gz BORPPFRBEMHVMS-LBPRGKRZSA-N 0 0 224.325 2.410 10 0 BEAERN O=Cc1c(O)ccc(F)c1Br ZINC000213238175 348814805 /nfs/dbraw/zinc/81/48/05/348814805.db2.gz HRMRQEBLDLBPEG-UHFFFAOYSA-N 0 0 219.009 2.106 10 0 BEAERN Cc1sc([C@@H]2CC(=O)N2)cc1Br ZINC000227975221 348816718 /nfs/dbraw/zinc/81/67/18/348816718.db2.gz QDUOAVACHAYGOO-LURJTMIESA-N 0 0 246.129 2.380 10 0 BEAERN Cc1nc(CNc2cncc(C)n2)c(C)s1 ZINC000302182183 179682272 /nfs/dbraw/zinc/68/22/72/179682272.db2.gz YVEHPSBBJSVSKF-UHFFFAOYSA-N 0 0 234.328 2.470 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCCC[C@@H]2C ZINC000669383896 538012519 /nfs/dbraw/zinc/01/25/19/538012519.db2.gz XHBPZFNSIIJAGK-GDPRMGEGSA-N 0 0 232.707 2.464 10 0 BEAERN CN[C@H](C)c1nc(Cc2cccc(F)c2)no1 ZINC000054053254 348849825 /nfs/dbraw/zinc/84/98/25/348849825.db2.gz CYYFPWFEXMXVDO-MRVPVSSYSA-N 0 0 235.262 2.080 10 0 BEAERN C[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000054074760 348876074 /nfs/dbraw/zinc/87/60/74/348876074.db2.gz BZHCZWUNYXLXEG-BXUZGUMPSA-N 0 0 246.354 2.130 10 0 BEAERN Cc1cc(=O)n([C@@H](C)CC(C)C)cc1N ZINC000725249037 538017880 /nfs/dbraw/zinc/01/78/80/538017880.db2.gz UGYYQLHCAZFTPD-JTQLQIEISA-N 0 0 208.305 2.346 10 0 BEAERN CCc1noc2[nH]c(CC3CC3)cc(=O)c12 ZINC000669384509 538016382 /nfs/dbraw/zinc/01/63/82/538016382.db2.gz XHDHTDZPDYPCDQ-UHFFFAOYSA-N 0 0 218.256 2.443 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2O)C1 ZINC000110915119 348928044 /nfs/dbraw/zinc/92/80/44/348928044.db2.gz NFMDPIFBYYEDDH-GWCFXTLKSA-N 0 0 241.331 2.158 10 0 BEAERN C[C@H]1CCCC[C@@H]1n1cccc(N)c1=O ZINC000725249274 538019295 /nfs/dbraw/zinc/01/92/95/538019295.db2.gz VPIOONZCQCJKDP-ONGXEEELSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@@H]1CCC[C@@H](n2ccc(=O)c(N)c2)C1 ZINC000725249176 538019378 /nfs/dbraw/zinc/01/93/78/538019378.db2.gz VRVKFRNXANXZIQ-NXEZZACHSA-N 0 0 206.289 2.182 10 0 BEAERN COC(=O)C1=C(O)CCc2ccc(OC)cc21 ZINC000198833972 348991387 /nfs/dbraw/zinc/99/13/87/348991387.db2.gz VQSYULOVJSHIQC-UHFFFAOYSA-N 0 0 234.251 2.084 10 0 BEAERN C[C@H]1CCC[C@@H](n2cc(N)ccc2=O)C1 ZINC000725249198 538019720 /nfs/dbraw/zinc/01/97/20/538019720.db2.gz ZDHCCBKQROTCQO-GXSJLCMTSA-N 0 0 206.289 2.182 10 0 BEAERN CCC[C@@H](C)CC(=O)N(C)C[C@H]1CCCO1 ZINC000133387953 348951088 /nfs/dbraw/zinc/95/10/88/348951088.db2.gz LMEFWRMJPCCZOQ-VXGBXAGGSA-N 0 0 227.348 2.450 10 0 BEAERN Cc1csc(C(=O)N2C[C@H](O)CC[C@@H]2C)c1 ZINC000399292222 323203172 /nfs/dbraw/zinc/20/31/72/323203172.db2.gz MSYIBSKTKFNHMK-VHSXEESVSA-N 0 0 239.340 2.042 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(N)c2nonc21 ZINC000035675466 187422240 /nfs/dbraw/zinc/42/22/40/187422240.db2.gz GNJSVCQPDHCEQH-ZETCQYMHSA-N 0 0 220.276 2.261 10 0 BEAERN Cc1cnn([C@@H](C)c2cccc(N)c2)c1 ZINC000040908298 179744546 /nfs/dbraw/zinc/74/45/46/179744546.db2.gz IGABJUVBMWMYJG-JTQLQIEISA-N 0 0 201.273 2.383 10 0 BEAERN O=Cc1cccc(-c2cccnn2)c1F ZINC000616574983 349077911 /nfs/dbraw/zinc/07/79/11/349077911.db2.gz SIOVQLFMNADNOQ-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN O=Cc1cccc(-c2ncccn2)c1F ZINC000616574551 349079306 /nfs/dbraw/zinc/07/93/06/349079306.db2.gz NFMFYXSXXKJWCX-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN CCn1ccnc1-c1csc(C=O)c1 ZINC000616574575 349079889 /nfs/dbraw/zinc/07/98/89/349079889.db2.gz NVRCCUZANSJXCD-UHFFFAOYSA-N 0 0 206.270 2.444 10 0 BEAERN O[C@@H](C1=CCCCO1)[C@H]1CCCCS1 ZINC000167857643 349080169 /nfs/dbraw/zinc/08/01/69/349080169.db2.gz DAFVANOBWOONKO-MNOVXSKESA-N 0 0 214.330 2.327 10 0 BEAERN COC(=O)c1c(C=O)cccc1OC(F)(F)F ZINC000616575126 349088081 /nfs/dbraw/zinc/08/80/81/349088081.db2.gz ALRHOZOIFPAPIV-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN CC[C@H](C)[C@@H](O)CNC(=O)N[C@H](C)C(C)(C)C ZINC000246864727 349107684 /nfs/dbraw/zinc/10/76/84/349107684.db2.gz RWEKMCXCYCGRFD-AXFHLTTASA-N 0 0 244.379 2.127 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)ccc1C=O ZINC000616576941 349098514 /nfs/dbraw/zinc/09/85/14/349098514.db2.gz UPFXWDYTNOPRCD-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN OC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000308920078 349067802 /nfs/dbraw/zinc/06/78/02/349067802.db2.gz IMLVDMPYOLEWGP-GZMMTYOYSA-N 0 0 246.137 2.464 10 0 BEAERN Cc1coc(CN(C)C(=O)OC(C)(C)C)n1 ZINC000142237476 349180543 /nfs/dbraw/zinc/18/05/43/349180543.db2.gz RRTBJXVYGJPYQL-UHFFFAOYSA-N 0 0 226.276 2.350 10 0 BEAERN Cc1csc(NC(=O)[C@H]2CCCO[C@H]2C)n1 ZINC000188970941 179787914 /nfs/dbraw/zinc/78/79/14/179787914.db2.gz RJYTZFLDOBOMSL-IUCAKERBSA-N 0 0 240.328 2.205 10 0 BEAERN Cc1csc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000035736221 179789234 /nfs/dbraw/zinc/78/92/34/179789234.db2.gz KXBGQMVPSYHLSY-DTWKUNHWSA-N 0 0 212.318 2.431 10 0 BEAERN Cc1nc2c(cc(N)cc2Br)[nH]1 ZINC000059098850 349203156 /nfs/dbraw/zinc/20/31/56/349203156.db2.gz MEMLMNQGUZOILD-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN CSc1nc(Cl)nc2c1ccn2C ZINC000201044805 349249463 /nfs/dbraw/zinc/24/94/63/349249463.db2.gz NBPIFLDIQIGAHW-UHFFFAOYSA-N 0 0 213.693 2.344 10 0 BEAERN Cc1n[nH]c(C)c1NCc1cncs1 ZINC000054770533 179829320 /nfs/dbraw/zinc/82/93/20/179829320.db2.gz RBZGLEPYUDFAGQ-UHFFFAOYSA-N 0 0 208.290 2.095 10 0 BEAERN Cc1cc(C)cc(N[C@@H]2COC[C@H]2F)c1 ZINC000616581487 349264335 /nfs/dbraw/zinc/26/43/35/349264335.db2.gz UXSITRJYXVFDTQ-VXGBXAGGSA-N 0 0 209.264 2.452 10 0 BEAERN CCOC(=O)/C=C/c1ccccc1OC(C)=O ZINC000039283064 349266617 /nfs/dbraw/zinc/26/66/17/349266617.db2.gz POICHNAROFCHAS-CMDGGOBGSA-N 0 0 234.251 2.188 10 0 BEAERN Cc1nc(-c2cc(N)ccc2Cl)no1 ZINC000082533319 179862806 /nfs/dbraw/zinc/86/28/06/179862806.db2.gz VUUUSAMKCOZFSB-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1c1cnco1 ZINC000616584294 349332304 /nfs/dbraw/zinc/33/23/04/349332304.db2.gz KMLBXHLWDBNIMK-LBPRGKRZSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(-c2ccc(N)cc2)[nH]c(=O)c1C(C)C ZINC000071397962 179864396 /nfs/dbraw/zinc/86/43/96/179864396.db2.gz CMCWXVXZFPGIBF-UHFFFAOYSA-N 0 0 243.310 2.451 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1c1ccno1 ZINC000616585045 349365510 /nfs/dbraw/zinc/36/55/10/349365510.db2.gz PTLXXIQWBPIENR-LBPRGKRZSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(C)c(F)c(NC[C@@H](C)C(C)C)n1 ZINC000336657298 179915066 /nfs/dbraw/zinc/91/50/66/179915066.db2.gz IFGAAKLOVOUGEA-MRVPVSSYSA-N 0 0 225.311 2.358 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ccc(N)nc1 ZINC000616586394 349407969 /nfs/dbraw/zinc/40/79/69/349407969.db2.gz VWSVHXRYRBPFFY-ZDUSSCGKSA-N 0 0 240.310 2.097 10 0 BEAERN CC(=O)[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000616586204 349387406 /nfs/dbraw/zinc/38/74/06/349387406.db2.gz JDGLCBKIFBTTBP-NSHDSACASA-N 0 0 217.268 2.116 10 0 BEAERN C[C@H]1CSCCN(c2ccc(C=O)o2)C1 ZINC000306769643 538045510 /nfs/dbraw/zinc/04/55/10/538045510.db2.gz QJAJGEAIOMNSIL-SECBINFHSA-N 0 0 225.313 2.281 10 0 BEAERN CCCn1nc(C(=O)OC)c([C@@H](C)CC)c1N ZINC000725254386 538045515 /nfs/dbraw/zinc/04/55/15/538045515.db2.gz MDFTYVOTMKLRHI-QMMMGPOBSA-N 0 0 239.319 2.175 10 0 BEAERN Cc1nc(CCCC(=O)N[C@H]2C[C@H]2C)cs1 ZINC000176158058 179930298 /nfs/dbraw/zinc/93/02/98/179930298.db2.gz CWUJMIIOKSMVEU-KCJUWKMLSA-N 0 0 238.356 2.299 10 0 BEAERN CC1(C)C[C@H]1Nc1nnc(C(F)F)o1 ZINC000307154119 191002537 /nfs/dbraw/zinc/00/25/37/191002537.db2.gz CPPMIBXFCQPBOS-SCSAIBSYSA-N 0 0 203.192 2.218 10 0 BEAERN Cc1nc(CCNC(=O)OC(C)C)cs1 ZINC000226227094 179935848 /nfs/dbraw/zinc/93/58/48/179935848.db2.gz VSPLGCHMQVXVDO-UHFFFAOYSA-N 0 0 228.317 2.129 10 0 BEAERN COc1cc(F)cc(N2CCC(=O)CC2)c1 ZINC000300891961 349418097 /nfs/dbraw/zinc/41/80/97/349418097.db2.gz FRRVUQFJKGHTMC-UHFFFAOYSA-N 0 0 223.247 2.004 10 0 BEAERN Cn1ccc2scc(Br)c2c1=O ZINC000217922576 350077248 /nfs/dbraw/zinc/07/72/48/350077248.db2.gz IHFOKWDRGYBJRR-UHFFFAOYSA-N 0 0 244.113 2.363 10 0 BEAERN Clc1nc(Cl)nc(-c2ccco2)n1 ZINC000072193570 191004692 /nfs/dbraw/zinc/00/46/92/191004692.db2.gz XUEVHEAHNBGPCC-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN O=C1c2occc2-c2nccc3ccnc1c32 ZINC000211034855 350071205 /nfs/dbraw/zinc/07/12/05/350071205.db2.gz OZYPIVQAXDVTGK-UHFFFAOYSA-N 0 0 222.203 2.434 10 0 BEAERN Cc1nc(-c2cccnc2)cc(=S)[nH]1 ZINC000045956394 180028413 /nfs/dbraw/zinc/02/84/13/180028413.db2.gz KBGNXORITWTVDB-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN Cc1nc(N)sc1SCc1cnccn1 ZINC000035286885 180000936 /nfs/dbraw/zinc/00/09/36/180000936.db2.gz JLGMZLNSMGINIE-UHFFFAOYSA-N 0 0 238.341 2.116 10 0 BEAERN Cc1nc(N)sc1SC[C@@H]1CCOC1 ZINC000049688890 180001371 /nfs/dbraw/zinc/00/13/71/180001371.db2.gz WZQPZDSMFJOJPI-SSDOTTSWSA-N 0 0 230.358 2.162 10 0 BEAERN Cc1nc(N)sc1SCCn1ccnc1 ZINC000020254129 180001434 /nfs/dbraw/zinc/00/14/34/180001434.db2.gz SYAPJBIOHWWIMT-UHFFFAOYSA-N 0 0 240.357 2.023 10 0 BEAERN C[C@@H]1C[C@@H](C)CCN1C1N=NC(=S)S1 ZINC000051747391 350088119 /nfs/dbraw/zinc/08/81/19/350088119.db2.gz UQOUCGURWQJDNV-NKWVEPMBSA-N 0 0 229.374 2.452 10 0 BEAERN COC(=O)[C@H](CC(C)C)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000302693221 350092410 /nfs/dbraw/zinc/09/24/10/350092410.db2.gz TWYFLGVKGLPSGA-LOWDOPEQSA-N 0 0 239.359 2.352 10 0 BEAERN Cc1nc(=NN)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000031863456 180020660 /nfs/dbraw/zinc/02/06/60/180020660.db2.gz OSBGCTKXBLXTBV-LURJTMIESA-N 0 0 248.355 2.410 10 0 BEAERN CCC1(CNC(=O)N[C@H]2CCO[C@@H]2C)CCC1 ZINC000131554605 191015736 /nfs/dbraw/zinc/01/57/36/191015736.db2.gz KLLCYSOTGFDDNH-MNOVXSKESA-N 0 0 240.347 2.043 10 0 BEAERN C[C@@H]1CC[C@H](O)[C@@H](OCC(F)(F)F)C1 ZINC000222154213 350127828 /nfs/dbraw/zinc/12/78/28/350127828.db2.gz WEZFJKWJVOOSEZ-CSMHCCOUSA-N 0 0 212.211 2.115 10 0 BEAERN COc1cc(C=O)c(OC)c(/C=C/C(C)=O)c1 ZINC000059315556 350116962 /nfs/dbraw/zinc/11/69/62/350116962.db2.gz PPHLXYZYZHWSPB-SNAWJCMRSA-N 0 0 234.251 2.119 10 0 BEAERN Cc1nc([C@@H]2CCCN2C(=O)N(C)C)cs1 ZINC000188007538 180042533 /nfs/dbraw/zinc/04/25/33/180042533.db2.gz SSZBPPAVPXIKNP-JTQLQIEISA-N 0 0 239.344 2.270 10 0 BEAERN Cc1nc([C@H](N)c2c(F)cccc2Cl)no1 ZINC000036762495 180053355 /nfs/dbraw/zinc/05/33/55/180053355.db2.gz BJXJXAOQRLYKDD-SECBINFHSA-N 0 0 241.653 2.219 10 0 BEAERN Cc1nc([C@H]2CC2(C)C)sc1CCO ZINC000083346768 180055245 /nfs/dbraw/zinc/05/52/45/180055245.db2.gz QZPMLNHNLXQAQJ-MRVPVSSYSA-N 0 0 211.330 2.500 10 0 BEAERN CCCn1nnc(C(=O)OC)c1C1CCCC1 ZINC000725255673 538052682 /nfs/dbraw/zinc/05/26/82/538052682.db2.gz HSRUPQPAOWJXBC-UHFFFAOYSA-N 0 0 237.303 2.132 10 0 BEAERN CC[C@@H](NC(=O)[C@H](C)SC)C(C)C ZINC000057413702 350127151 /nfs/dbraw/zinc/12/71/51/350127151.db2.gz HJMCOEJXTPYFJC-DTWKUNHWSA-N 0 0 203.351 2.289 10 0 BEAERN Cc1nc2cc(OC[C@H]3CO3)ccc2s1 ZINC000022010720 180084365 /nfs/dbraw/zinc/08/43/65/180084365.db2.gz YSPRCDGVFRVBED-VIFPVBQESA-N 0 0 221.281 2.382 10 0 BEAERN CS[C@H](C)CNC(=O)NC1CCCCC1 ZINC000132207265 191027732 /nfs/dbraw/zinc/02/77/32/191027732.db2.gz ORZIQXFQAQHWLT-SECBINFHSA-N 0 0 230.377 2.370 10 0 BEAERN Cc1nc2c(c(=O)[nH]1)-c1cc(Cl)ccc1CC2 ZINC000013832472 180067911 /nfs/dbraw/zinc/06/79/11/180067911.db2.gz HYYWEADLXVTLIU-UHFFFAOYSA-N 0 0 246.697 2.497 10 0 BEAERN Cc1nc2c(cc1-c1ccncc1)CCC(=O)N2 ZINC000013733712 180070723 /nfs/dbraw/zinc/07/07/23/180070723.db2.gz BEAOZZCRGBRVNO-UHFFFAOYSA-N 0 0 239.278 2.337 10 0 BEAERN Cc1nc2ccccc2nc1NC[C@H](O)C(C)C ZINC000125168383 180106089 /nfs/dbraw/zinc/10/60/89/180106089.db2.gz VUPXIEKTRDUJNB-ZDUSSCGKSA-N 0 0 245.326 2.367 10 0 BEAERN Cc1ccc(CN[C@H]2CCCn3nc(C)nc32)o1 ZINC000083475804 180111561 /nfs/dbraw/zinc/11/15/61/180111561.db2.gz ZRFQVGACBRKXBD-LBPRGKRZSA-N 0 0 246.314 2.113 10 0 BEAERN CN(Cc1ccoc1)c1ccnc(Cl)n1 ZINC000051849705 350162545 /nfs/dbraw/zinc/16/25/45/350162545.db2.gz ULHZDGNLAJLXDB-UHFFFAOYSA-N 0 0 223.663 2.359 10 0 BEAERN Cc1ncc(CN(C)C(=O)N[C@H]2C[C@H]2C)s1 ZINC000170808128 180137352 /nfs/dbraw/zinc/13/73/52/180137352.db2.gz BJLBBVPUWTZYEG-XCBNKYQSSA-N 0 0 239.344 2.001 10 0 BEAERN Cc1nc2ncnc(N)c2c(-c2ccco2)c1C ZINC000009696490 180115522 /nfs/dbraw/zinc/11/55/22/180115522.db2.gz BVRVGKMMIKTASN-UHFFFAOYSA-N 0 0 240.266 2.484 10 0 BEAERN Cc1nc2scc(C3CC3)n2c1C=O ZINC000078210750 180117241 /nfs/dbraw/zinc/11/72/41/180117241.db2.gz UFCKNCUHZMOQSN-UHFFFAOYSA-N 0 0 206.270 2.394 10 0 BEAERN Cc1ncc(-c2cc(N)nc(C3CC3)n2)s1 ZINC000044119396 180121957 /nfs/dbraw/zinc/12/19/57/180121957.db2.gz HACPKEGNKIYKDV-UHFFFAOYSA-N 0 0 232.312 2.368 10 0 BEAERN Cn1nccc1C1=NN(C(C)(C)C)C(=S)C1 ZINC000725257690 538066477 /nfs/dbraw/zinc/06/64/77/538066477.db2.gz UQDWBAZIMOMAOD-UHFFFAOYSA-N 0 0 236.344 2.327 10 0 BEAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H](C)O ZINC000100096858 191062171 /nfs/dbraw/zinc/06/21/71/191062171.db2.gz UJNOLBSYLSYIBM-FIQHERPVSA-N 0 0 228.332 2.371 10 0 BEAERN Cc1ncc(CN[C@H](C)c2cc[nH]n2)s1 ZINC000040997855 180158804 /nfs/dbraw/zinc/15/88/04/180158804.db2.gz MIJSYHBQYRDHLE-SSDOTTSWSA-N 0 0 222.317 2.025 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@H](C)c1ccco1 ZINC000038095150 180163692 /nfs/dbraw/zinc/16/36/92/180163692.db2.gz IHZGQZBOJAXTPA-SECBINFHSA-N 0 0 245.282 2.056 10 0 BEAERN Cc1ncc(N)cc1C(=O)NC1CCC(C)CC1 ZINC000038094824 180164110 /nfs/dbraw/zinc/16/41/10/180164110.db2.gz LXEYZCPUVKRINW-UHFFFAOYSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000038095098 180164116 /nfs/dbraw/zinc/16/41/16/180164116.db2.gz HFHJCMSMDOUEQY-CABZTGNLSA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncsc1[C@@H](C)NCc1ccnc(C)n1 ZINC000038037795 180191742 /nfs/dbraw/zinc/19/17/42/180191742.db2.gz HQNOJFLIYLQAMR-MRVPVSSYSA-N 0 0 248.355 2.401 10 0 BEAERN Clc1nc(N2CCSCC2)cs1 ZINC000060446688 350220226 /nfs/dbraw/zinc/22/02/26/350220226.db2.gz MEWYBVDNDMXSTE-UHFFFAOYSA-N 0 0 220.750 2.350 10 0 BEAERN Cc1nccn1-c1ccc(Br)cn1 ZINC000042388682 180229155 /nfs/dbraw/zinc/22/91/55/180229155.db2.gz CLGVFOBRJVIWJL-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1nccn1-c1ncccc1NCC1CC1 ZINC000037772551 180230649 /nfs/dbraw/zinc/23/06/49/180230649.db2.gz IUSSRXJIBWGJOG-UHFFFAOYSA-N 0 0 228.299 2.398 10 0 BEAERN CC(C)c1csc(NC(=O)[C@H]2CCCO2)n1 ZINC000025404984 350249785 /nfs/dbraw/zinc/24/97/85/350249785.db2.gz UWCXREPVOLUJCK-SECBINFHSA-N 0 0 240.328 2.384 10 0 BEAERN CCNc1cc2c(cc1F)nc(C)[nH]c2=O ZINC000725261774 538086624 /nfs/dbraw/zinc/08/66/24/538086624.db2.gz HGIVZBXODMELGL-UHFFFAOYSA-N 0 0 221.235 2.215 10 0 BEAERN Cc1nccn1CCc1ccccc1N ZINC000052918767 180262065 /nfs/dbraw/zinc/26/20/65/180262065.db2.gz QSUZCKUBOLBOCI-UHFFFAOYSA-N 0 0 201.273 2.016 10 0 BEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CC(C)C ZINC000177190227 180264244 /nfs/dbraw/zinc/26/42/44/180264244.db2.gz PMSMFUXAFBXAFX-ZDUSSCGKSA-N 0 0 249.358 2.229 10 0 BEAERN O=Cc1ccccc1-n1cc(Cl)cn1 ZINC000038053666 350300037 /nfs/dbraw/zinc/30/00/37/350300037.db2.gz GCFLDWJZEWUEAE-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN Clc1ccc(NCCc2ccco2)nn1 ZINC000038059617 350300966 /nfs/dbraw/zinc/30/09/66/350300966.db2.gz ARALHSQKRVZCAP-UHFFFAOYSA-N 0 0 223.663 2.378 10 0 BEAERN Oc1ccc(SCc2ncon2)cc1 ZINC000038078946 350305435 /nfs/dbraw/zinc/30/54/35/350305435.db2.gz DDBFSUBZQFRJKF-UHFFFAOYSA-N 0 0 208.242 2.068 10 0 BEAERN COc1cc([C@H](C)O)cc(Cl)c1OC ZINC000037895530 350291147 /nfs/dbraw/zinc/29/11/47/350291147.db2.gz SVDVSPGNBRTKHY-LURJTMIESA-N 0 0 216.664 2.411 10 0 BEAERN COC(=N)c1cc(Cl)c2c(c1)OCCO2 ZINC000037928098 350291883 /nfs/dbraw/zinc/29/18/83/350291883.db2.gz LYGBGXVOBIQQET-UHFFFAOYSA-N 0 0 227.647 2.083 10 0 BEAERN C[C@@H](c1ccco1)N(C)Cc1cncnc1 ZINC000131023758 490468284 /nfs/dbraw/zinc/46/82/84/490468284.db2.gz WTBBJKSPOXYFJW-JTQLQIEISA-N 0 0 217.272 2.263 10 0 BEAERN N#CCc1cc(N)c(C(F)(F)F)cc1F ZINC000396044420 350365097 /nfs/dbraw/zinc/36/50/97/350365097.db2.gz YGTNRHPCYRCDSY-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN C[C@](O)(c1ccco1)C(F)(F)Br ZINC000225679641 350370051 /nfs/dbraw/zinc/37/00/51/350370051.db2.gz IGAFTNFBAOIHFC-LURJTMIESA-N 0 0 241.031 2.475 10 0 BEAERN Cc1nn(-c2ncccc2N)c(C)c1Cl ZINC000020353348 180332797 /nfs/dbraw/zinc/33/27/97/180332797.db2.gz DLCCVPWHTBTWHP-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cc1ncsc1CN1[C@@H](C)COC[C@@H]1C ZINC000093607449 180318490 /nfs/dbraw/zinc/31/84/90/180318490.db2.gz OFQRVFFOALBTNK-IUCAKERBSA-N 0 0 226.345 2.061 10 0 BEAERN Cc1nn(C)c(C)c1NC[C@H]1CCC=CO1 ZINC000050267619 180343259 /nfs/dbraw/zinc/34/32/59/180343259.db2.gz GIZKSACHDJGCGC-LLVKDONJSA-N 0 0 221.304 2.142 10 0 BEAERN CC(C)Cc1ncncc1Br ZINC000082326428 187447488 /nfs/dbraw/zinc/44/74/88/187447488.db2.gz FHPIYXTYQKZMBN-UHFFFAOYSA-N 0 0 215.094 2.438 10 0 BEAERN Cc1nn(C)c(C)c1NCc1ccc(O)cc1 ZINC000020134534 180344146 /nfs/dbraw/zinc/34/41/46/180344146.db2.gz BJDILRGIRBUIBP-UHFFFAOYSA-N 0 0 231.299 2.355 10 0 BEAERN Cc1nn(C)c(Nc2cc(F)cc(F)c2)c1N ZINC000036749207 180360371 /nfs/dbraw/zinc/36/03/71/180360371.db2.gz CCJYIFDMZYPGMD-UHFFFAOYSA-N 0 0 238.241 2.333 10 0 BEAERN Cc1nn(C)c(N(C)[C@H](C)C(C)(C)C)c1C=O ZINC000042770040 180352929 /nfs/dbraw/zinc/35/29/29/180352929.db2.gz BNTUQSZXMYVLED-SNVBAGLBSA-N 0 0 237.347 2.412 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H](C)C(C)(C)C)c1C=O ZINC000042770036 180353226 /nfs/dbraw/zinc/35/32/26/180353226.db2.gz BNTUQSZXMYVLED-JTQLQIEISA-N 0 0 237.347 2.412 10 0 BEAERN Cc1nn(C)c(N)c1Sc1ccccc1N ZINC000036948418 180355671 /nfs/dbraw/zinc/35/56/71/180355671.db2.gz MKKZVRUFBSKJFB-UHFFFAOYSA-N 0 0 234.328 2.044 10 0 BEAERN Cc1nn(C)c(N[C@@H](C)CCc2ccco2)c1N ZINC000049564459 180358035 /nfs/dbraw/zinc/35/80/35/180358035.db2.gz LCKJSVPPBLCEHH-VIFPVBQESA-N 0 0 248.330 2.337 10 0 BEAERN C[N@@H+]1CCOC[C@H](c2cncc3ccccc32)C1 ZINC000616591859 350416215 /nfs/dbraw/zinc/41/62/15/350416215.db2.gz AJPDTGPDHFQDKZ-CYBMUJFWSA-N 0 0 242.322 2.280 10 0 BEAERN O=C1c2ccccc2-c2c1c(O)ccc2O ZINC000032249564 350420385 /nfs/dbraw/zinc/42/03/85/350420385.db2.gz HVOYPCLFJHHOLC-UHFFFAOYSA-N 0 0 212.204 2.309 10 0 BEAERN CCC(=O)NCCc1ccc2c(c1)CCCN2 ZINC000725264991 538093414 /nfs/dbraw/zinc/09/34/14/538093414.db2.gz KXMGYIKODHLQCF-UHFFFAOYSA-N 0 0 232.327 2.113 10 0 BEAERN CC[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000227006733 350472489 /nfs/dbraw/zinc/47/24/89/350472489.db2.gz QGHBLFVVNOKYTK-GZMMTYOYSA-N 0 0 207.248 2.354 10 0 BEAERN COc1cc2n[nH]c(C=O)c2c(Cl)c1 ZINC000014984595 350473404 /nfs/dbraw/zinc/47/34/04/350473404.db2.gz SDIYDRWCLATXJR-UHFFFAOYSA-N 0 0 210.620 2.037 10 0 BEAERN OCCn1nc(-c2ccsc2)c2c1CCCC2 ZINC000409437301 350480352 /nfs/dbraw/zinc/48/03/52/350480352.db2.gz FVASSZHHLYWZKD-UHFFFAOYSA-N 0 0 248.351 2.483 10 0 BEAERN Cc1nn([C@@H]2CCCCO2)c(Cl)c1C=O ZINC000095774210 180392510 /nfs/dbraw/zinc/39/25/10/180392510.db2.gz ZWJHSPKJYOUCHY-VIFPVBQESA-N 0 0 228.679 2.357 10 0 BEAERN CC[C@@H](NCc1cnn(C)c1C)C(F)(F)F ZINC000336781817 350511132 /nfs/dbraw/zinc/51/11/32/350511132.db2.gz VUDYEHVHCFOGQO-SECBINFHSA-N 0 0 235.253 2.159 10 0 BEAERN Cc1nn(CC(C)(C)C)c(N)c1Cl ZINC000043667976 180386005 /nfs/dbraw/zinc/38/60/05/180386005.db2.gz DHRJHBAGAGEJJM-UHFFFAOYSA-N 0 0 201.701 2.473 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(O)cc1O ZINC000227616694 350503976 /nfs/dbraw/zinc/50/39/76/350503976.db2.gz WXCZMVVQMIBRCA-GZMMTYOYSA-N 0 0 235.283 2.016 10 0 BEAERN CCOC(=O)c1nn(C(C)C)c(N)c1C(F)F ZINC000725265740 538094376 /nfs/dbraw/zinc/09/43/76/538094376.db2.gz YEWXOPCNPFMMRG-UHFFFAOYSA-N 0 0 247.245 2.161 10 0 BEAERN Cc1nn2c(nccc2Cl)c1Br ZINC000238538602 180395386 /nfs/dbraw/zinc/39/53/86/180395386.db2.gz AGDZQYWRQHXGDV-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Cc1nc(-c2nncn2C2CC2)cs1 ZINC000228230901 350534394 /nfs/dbraw/zinc/53/43/94/350534394.db2.gz WOXDRYBEGAHSSF-UHFFFAOYSA-N 0 0 206.274 2.045 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1-c1ccoc1 ZINC000725266500 538095076 /nfs/dbraw/zinc/09/50/76/538095076.db2.gz DSWZFXNZBACREC-UHFFFAOYSA-N 0 0 235.243 2.020 10 0 BEAERN CC[C@@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000152229078 538095233 /nfs/dbraw/zinc/09/52/33/538095233.db2.gz ZMAWXYVHMBNPNW-WDEREUQCSA-N 0 0 212.337 2.472 10 0 BEAERN COCCSCC(=O)c1ccc(F)cc1 ZINC000037352368 362967239 /nfs/dbraw/zinc/96/72/39/362967239.db2.gz FEZYHWOBVCDHAS-UHFFFAOYSA-N 0 0 228.288 2.388 10 0 BEAERN COCCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000128822891 350561702 /nfs/dbraw/zinc/56/17/02/350561702.db2.gz VAMWATZAXIJPGN-ZDUSSCGKSA-N 0 0 249.354 2.421 10 0 BEAERN Cc1nnc(NCc2ccc(O)cc2)s1 ZINC000083351318 180434856 /nfs/dbraw/zinc/43/48/56/180434856.db2.gz DRIVZPWDQUVBOX-UHFFFAOYSA-N 0 0 221.285 2.164 10 0 BEAERN Cc1nnc(N[C@@H](C)c2csc(C)n2)o1 ZINC000309031614 180435994 /nfs/dbraw/zinc/43/59/94/180435994.db2.gz FDCNXIUEWAFVHR-YFKPBYRVSA-N 0 0 224.289 2.316 10 0 BEAERN CC(C)[N@@H+]1CCO[C@@H](c2ccccc2N)CC1 ZINC000616595252 350606667 /nfs/dbraw/zinc/60/66/67/350606667.db2.gz VFVJWBWCVWONBW-CQSZACIVSA-N 0 0 234.343 2.441 10 0 BEAERN CCCCCC(=O)Nc1cnc(N(C)C)nc1 ZINC000125679003 168642448 /nfs/dbraw/zinc/64/24/48/168642448.db2.gz VRYWKWDHBNFECV-UHFFFAOYSA-N 0 0 236.319 2.061 10 0 BEAERN CC(=O)OCC(F)(F)[C@H](F)C(F)(F)F ZINC000098210602 187457822 /nfs/dbraw/zinc/45/78/22/187457822.db2.gz HBRIAAIICOEFEL-BYPYZUCNSA-N 0 0 224.100 2.085 10 0 BEAERN CC(C)Cc1nsc(N[C@H]2CCO[C@@H]2C)n1 ZINC000302366032 191119540 /nfs/dbraw/zinc/11/95/40/191119540.db2.gz GANRSQDZVOYIIS-BDAKNGLRSA-N 0 0 241.360 2.326 10 0 BEAERN CCC[C@H](N[C@H](C)C(C)C)C(=O)OCC ZINC000096593308 350678609 /nfs/dbraw/zinc/67/86/09/350678609.db2.gz RHQVJASGVIDHAI-MNOVXSKESA-N 0 0 215.337 2.352 10 0 BEAERN CSC(=C[N+](=O)[O-])Nc1ccc(O)cc1F ZINC000100381851 191117342 /nfs/dbraw/zinc/11/73/42/191117342.db2.gz BHJZOMXYVPCLJQ-UITAMQMPSA-N 0 0 244.247 2.382 10 0 BEAERN CC[N@@H+]1CCOCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616598830 350687341 /nfs/dbraw/zinc/68/73/41/350687341.db2.gz SMZOKYNUDWNUHD-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CC(C)[N@@H+]1CCOCC[C@H]1c1ccncc1 ZINC000616598791 350689203 /nfs/dbraw/zinc/68/92/03/350689203.db2.gz RGKWLLYAEVTYRX-ZDUSSCGKSA-N 0 0 220.316 2.253 10 0 BEAERN Cc1noc(CSc2ccccc2N)n1 ZINC000020254077 180491444 /nfs/dbraw/zinc/49/14/44/180491444.db2.gz WFDJLGGNVTXHGI-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CC[N@@H+]1CCOCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616599826 350759230 /nfs/dbraw/zinc/75/92/30/350759230.db2.gz XMVWRLFSBHESQH-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@@H](C(C)(C)C)N2 ZINC000725267905 538099253 /nfs/dbraw/zinc/09/92/53/538099253.db2.gz BRIGUYNCPUQXOR-AAEUAGOBSA-N 0 0 235.327 2.439 10 0 BEAERN O[C@@H](Cc1csc(Cl)c1)[C@H]1CCCO1 ZINC000306672483 350815199 /nfs/dbraw/zinc/81/51/99/350815199.db2.gz MCPAHZXPAHVEOL-DTWKUNHWSA-N 0 0 232.732 2.484 10 0 BEAERN COc1ccc2c(c1)N[C@H](CC1CC1)[C@@H](O)C2 ZINC000725267986 538099444 /nfs/dbraw/zinc/09/94/44/538099444.db2.gz DSEXDWFWADAOSH-KGLIPLIRSA-N 0 0 233.311 2.193 10 0 BEAERN NC(=O)N1CCC[C@H](c2ccccc2F)CC1 ZINC000616600278 350779491 /nfs/dbraw/zinc/77/94/91/350779491.db2.gz GSBYPQSHOWOXOV-JTQLQIEISA-N 0 0 236.290 2.474 10 0 BEAERN CN1CCO[C@@H](c2ccnc3ccccc32)C1 ZINC000616601691 350786813 /nfs/dbraw/zinc/78/68/13/350786813.db2.gz FQUNWBKUPWYTRA-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cncnc2)C1 ZINC000616601806 350786914 /nfs/dbraw/zinc/78/69/14/350786914.db2.gz GDVQJYGSJQGNDH-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CCN1CCOC[C@H]1c1cccc2nnccc21 ZINC000616601937 350789883 /nfs/dbraw/zinc/78/98/83/350789883.db2.gz QLNBANKIFZAGEA-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CC(=O)N1CCCC[C@H](c2cccc(N)c2)C1 ZINC000616603940 350795831 /nfs/dbraw/zinc/79/58/31/350795831.db2.gz ZAMSMJODBWUYGS-ZDUSSCGKSA-N 0 0 232.327 2.385 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1ccc(CO)cc1 ZINC000616608153 350796552 /nfs/dbraw/zinc/79/65/52/350796552.db2.gz YQKLRKXJACVGRO-GFCCVEGCSA-N 0 0 235.283 2.082 10 0 BEAERN c1nc([C@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000616606727 350798064 /nfs/dbraw/zinc/79/80/64/350798064.db2.gz IZASERADKSPDGF-GFCCVEGCSA-N 0 0 228.299 2.142 10 0 BEAERN CCOC(=O)N1CCC[C@@H]1c1cccc(CO)c1 ZINC000616606942 350798827 /nfs/dbraw/zinc/79/88/27/350798827.db2.gz MJEWGOVXBPQSLA-CYBMUJFWSA-N 0 0 249.310 2.472 10 0 BEAERN COC(=O)N1CCC(c2ccccc2CO)CC1 ZINC000616609396 350805640 /nfs/dbraw/zinc/80/56/40/350805640.db2.gz VGRVXGSTIRXHKS-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN CC(=O)N1CCC[C@H]1c1cnnc2ccccc21 ZINC000616610497 350806449 /nfs/dbraw/zinc/80/64/49/350806449.db2.gz RKWOHAZCLKKLCH-AWEZNQCLSA-N 0 0 241.294 2.313 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccccc1F ZINC000616610822 350806735 /nfs/dbraw/zinc/80/67/35/350806735.db2.gz XVFAYUNWLMQLBI-JTQLQIEISA-N 0 0 208.236 2.041 10 0 BEAERN NC(=O)N1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616610808 350807057 /nfs/dbraw/zinc/80/70/57/350807057.db2.gz FIMPVHQFQROJIG-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cnoc2)C1 ZINC000616609953 350807866 /nfs/dbraw/zinc/80/78/66/350807866.db2.gz MXMBMCDTFLJSDC-VIFPVBQESA-N 0 0 238.287 2.399 10 0 BEAERN CCOC(=O)N1CC[C@H](c2ccncc2)C1 ZINC000616610384 350808501 /nfs/dbraw/zinc/80/85/01/350808501.db2.gz PPDUEZBMPIKHJI-NSHDSACASA-N 0 0 220.272 2.027 10 0 BEAERN CNc1ccc([C@H]2CCN(C(C)=O)C2)cc1 ZINC000616611471 350809290 /nfs/dbraw/zinc/80/92/90/350809290.db2.gz FAENCGATWGOFCX-LBPRGKRZSA-N 0 0 218.300 2.064 10 0 BEAERN CNc1ccccc1[C@@H]1CCN(C(C)=O)C1 ZINC000616611404 350809445 /nfs/dbraw/zinc/80/94/45/350809445.db2.gz DSIQGGQFODTQQX-LLVKDONJSA-N 0 0 218.300 2.064 10 0 BEAERN CS[C@H]1CC[C@@H]1Nc1nc(C)ns1 ZINC000306676710 350829276 /nfs/dbraw/zinc/82/92/76/350829276.db2.gz WWTUNJGLAVENJV-BQBZGAKWSA-N 0 0 215.347 2.152 10 0 BEAERN Cn1cnc([C@H](O)c2cc(Cl)cs2)c1 ZINC000306677350 350831130 /nfs/dbraw/zinc/83/11/30/350831130.db2.gz YPIWANDTYZTXSZ-VIFPVBQESA-N 0 0 228.704 2.217 10 0 BEAERN CN(c1nsnc1Cl)C(C)(C)C ZINC000306677882 350832526 /nfs/dbraw/zinc/83/25/26/350832526.db2.gz HJBIRQMOVTYMDO-UHFFFAOYSA-N 0 0 205.714 2.426 10 0 BEAERN Nc1cnc(NC[C@@H]2CCCSC2)s1 ZINC000306680062 350835042 /nfs/dbraw/zinc/83/50/42/350835042.db2.gz JNOIYBAVQQFMQG-ZETCQYMHSA-N 0 0 229.374 2.280 10 0 BEAERN C[C@]1(c2nc(CCO)cs2)CCCS1 ZINC000306681409 350838389 /nfs/dbraw/zinc/83/83/89/350838389.db2.gz OAWFOYVOLHHDIB-SNVBAGLBSA-N 0 0 229.370 2.420 10 0 BEAERN COc1ccsc1[C@H](O)c1ccsn1 ZINC000306683775 350841415 /nfs/dbraw/zinc/84/14/15/350841415.db2.gz XMCQXYZTKJUASH-MRVPVSSYSA-N 0 0 227.310 2.295 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1ccccc1N ZINC000616614958 350844051 /nfs/dbraw/zinc/84/40/51/350844051.db2.gz NMDDVVSAPGWYDZ-CYBMUJFWSA-N 0 0 218.300 2.342 10 0 BEAERN CC(C)(C)C[C@@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000725267919 538099658 /nfs/dbraw/zinc/09/96/58/538099658.db2.gz BYYSOWRDOIFWTN-STQMWFEESA-N 0 0 234.343 2.403 10 0 BEAERN Cc1cc(CC(=O)c2nccn2C)cs1 ZINC000306695035 350847112 /nfs/dbraw/zinc/84/71/12/350847112.db2.gz VOBVCEQBUDROGQ-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN CCC(=O)Nc1cc(Cl)cc(F)n1 ZINC000306699713 350848976 /nfs/dbraw/zinc/84/89/76/350848976.db2.gz FCTNXBQQOJYQEX-UHFFFAOYSA-N 0 0 202.616 2.223 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cccnc1N ZINC000616615760 350850365 /nfs/dbraw/zinc/85/03/65/350850365.db2.gz QSTBMSVAVSRCQV-NSHDSACASA-N 0 0 249.314 2.347 10 0 BEAERN CC[C@H](C)[C@H]1Nc2cccc(OC)c2C[C@H]1O ZINC000725268120 538099518 /nfs/dbraw/zinc/09/95/18/538099518.db2.gz KORBCDRVELFZGW-MRCXROJRSA-N 0 0 235.327 2.439 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@H](CC1CC1)N2 ZINC000725268042 538099524 /nfs/dbraw/zinc/09/95/24/538099524.db2.gz GVLSIDSAZUXEDJ-KBPBESRZSA-N 0 0 233.311 2.193 10 0 BEAERN COc1ncccc1-c1nccc(Cl)n1 ZINC000306675582 350826211 /nfs/dbraw/zinc/82/62/11/350826211.db2.gz SUYXDAPTYDJNJC-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN CN1CCSC[C@@H]1C(=O)CC1(C)CCC1 ZINC000306676639 350828302 /nfs/dbraw/zinc/82/83/02/350828302.db2.gz WQQDPSKERXHTCZ-SNVBAGLBSA-N 0 0 227.373 2.183 10 0 BEAERN Clc1cncnc1N[C@@H]1CC[C@H]2C[C@H]21 ZINC000306730723 350899973 /nfs/dbraw/zinc/89/99/73/350899973.db2.gz PRXVEHSFZSMDLD-LKEWCRSYSA-N 0 0 209.680 2.340 10 0 BEAERN CC1(C)CC[C@H]1[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000306733218 350903223 /nfs/dbraw/zinc/90/32/23/350903223.db2.gz SRMGQRXFWSSQCG-NXEZZACHSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)[C@H]2CCCS2)O1 ZINC000251831957 350904538 /nfs/dbraw/zinc/90/45/38/350904538.db2.gz NLVRRSFWNJPYMH-IWSPIJDZSA-N 0 0 200.303 2.019 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000251956340 350907256 /nfs/dbraw/zinc/90/72/56/350907256.db2.gz XFZQLRGEXKSAOV-GMTAPVOTSA-N 0 0 213.321 2.216 10 0 BEAERN Brc1nnc([C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000253119725 350919052 /nfs/dbraw/zinc/91/90/52/350919052.db2.gz HQPCQBBIXUIGNV-FPFOFBBKSA-N 0 0 229.077 2.346 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccccc2N)C1 ZINC000616618705 350922042 /nfs/dbraw/zinc/92/20/42/350922042.db2.gz STBAFSGKWHJNBK-SNVBAGLBSA-N 0 0 234.299 2.215 10 0 BEAERN CCOC(=O)N1CCC(OC(F)(F)F)CC1 ZINC000616619481 350927556 /nfs/dbraw/zinc/92/75/56/350927556.db2.gz QLJKVJLOYCRSGZ-UHFFFAOYSA-N 0 0 241.209 2.144 10 0 BEAERN COC(C)(C)[C@@H]1Nc2c(C)cccc2C[C@H]1O ZINC000725268048 538099690 /nfs/dbraw/zinc/09/96/90/538099690.db2.gz GWJUMZWIEGULJW-DGCLKSJQSA-N 0 0 235.327 2.118 10 0 BEAERN CCn1c(Cl)nc2ccsc2c1=O ZINC000306713823 350873970 /nfs/dbraw/zinc/87/39/70/350873970.db2.gz ZHEOMVPPDZBMIT-UHFFFAOYSA-N 0 0 214.677 2.131 10 0 BEAERN Cc1oc(-c2cnn(C)c2)nc1Br ZINC000040544479 180527969 /nfs/dbraw/zinc/52/79/69/180527969.db2.gz PUERVCRUKLVUKH-UHFFFAOYSA-N 0 0 242.076 2.146 10 0 BEAERN OC[C@]1(Cc2sccc2Cl)CCOC1 ZINC000306723242 350892166 /nfs/dbraw/zinc/89/21/66/350892166.db2.gz GQSMLIWDKSDLBN-SNVBAGLBSA-N 0 0 232.732 2.343 10 0 BEAERN CC(=O)c1csc(C[C@@H]2CCCCO2)n1 ZINC000129047158 350964946 /nfs/dbraw/zinc/96/49/46/350964946.db2.gz VREFHENYXIWXLY-VIFPVBQESA-N 0 0 225.313 2.457 10 0 BEAERN C[C@@H]1SCCC[C@@]1(O)Cc1cncs1 ZINC000159673666 350971785 /nfs/dbraw/zinc/97/17/85/350971785.db2.gz JCGQHVCOXIICFO-WCBMZHEXSA-N 0 0 229.370 2.332 10 0 BEAERN O=C(c1cnns1)c1cc(F)cc(F)c1 ZINC000159688340 350973738 /nfs/dbraw/zinc/97/37/38/350973738.db2.gz KDYAHMQWGBCPCD-UHFFFAOYSA-N 0 0 226.207 2.047 10 0 BEAERN O=c1ccn(CC2CCCC2)c(=S)[nH]1 ZINC000052312784 350979676 /nfs/dbraw/zinc/97/96/76/350979676.db2.gz IMGKTJBVGOLYKI-UHFFFAOYSA-N 0 0 210.302 2.096 10 0 BEAERN Cc1cccc(-c2nnc(N)o2)c1Cl ZINC000129078353 350981604 /nfs/dbraw/zinc/98/16/04/350981604.db2.gz FEEMXGSEEYTICC-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN COCc1cc(=S)n(C(C)(C)C)[nH]1 ZINC000052305164 350983209 /nfs/dbraw/zinc/98/32/09/350983209.db2.gz CERODUHEALQEDB-UHFFFAOYSA-N 0 0 200.307 2.073 10 0 BEAERN C[C@@H]1CC[C@H](O)[C@H](Cc2cncs2)C1 ZINC000159746214 350992997 /nfs/dbraw/zinc/99/29/97/350992997.db2.gz IPHKZLWICSYNIW-YWVKMMECSA-N 0 0 211.330 2.483 10 0 BEAERN Cc1cccc2cc(NN)c([C@@H]3CCOC3)nc12 ZINC000725267970 538099744 /nfs/dbraw/zinc/09/97/44/538099744.db2.gz DHEXTQWYYBYJJA-LLVKDONJSA-N 0 0 243.310 2.333 10 0 BEAERN CC(C)[S@@](=O)Nc1cnccc1Cl ZINC000306769751 350997486 /nfs/dbraw/zinc/99/74/86/350997486.db2.gz AJLMLEKICFKTCD-CYBMUJFWSA-N 0 0 218.709 2.219 10 0 BEAERN Nc1ncc([C@@H](O)[C@@H]2CC=CCC2)s1 ZINC000159824096 351009712 /nfs/dbraw/zinc/00/97/12/351009712.db2.gz SAMMIMSJDBKDPR-APPZFPTMSA-N 0 0 210.302 2.115 10 0 BEAERN Cc1ccsc1[C@@H](O)c1cnc(N)s1 ZINC000159812001 351005213 /nfs/dbraw/zinc/00/52/13/351005213.db2.gz DOXCMOQQPOKQHH-ZETCQYMHSA-N 0 0 226.326 2.177 10 0 BEAERN C[C@@H]1CC[C@@](CC(=O)[O-])([NH+](C)C)C[C@H]1C ZINC000251939769 362990360 /nfs/dbraw/zinc/99/03/60/362990360.db2.gz VYOQGYNPLRXNNC-CKYFFXLPSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1csc([C@@H]2NC[C@H](C)S2)n1 ZINC000159620057 350953157 /nfs/dbraw/zinc/95/31/57/350953157.db2.gz GULUYKCQKQRDBU-NKWVEPMBSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1csc([C@H]2N[C@H](C)CS2)n1 ZINC000159620682 350953259 /nfs/dbraw/zinc/95/32/59/350953259.db2.gz UYQCUIJCYAOLLK-SVRRBLITSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1sc(C(=O)OC2CCC2)cc1N ZINC000052146325 180557622 /nfs/dbraw/zinc/55/76/22/180557622.db2.gz DARNGSIAXUJXDW-UHFFFAOYSA-N 0 0 211.286 2.348 10 0 BEAERN OC[C@H](F)Cc1ccccc1Br ZINC000257923170 351065325 /nfs/dbraw/zinc/06/53/25/351065325.db2.gz DLDVCYNMNRJUTC-MRVPVSSYSA-N 0 0 233.080 2.322 10 0 BEAERN Nc1ncc(Cc2ccncc2Cl)s1 ZINC000159885597 351021768 /nfs/dbraw/zinc/02/17/68/351021768.db2.gz KLISEMVNZGLJKU-UHFFFAOYSA-N 0 0 225.704 2.365 10 0 BEAERN CCC(CC)Cn1cc2c(n1)[C@@H](C)NC(=O)O2 ZINC000725268246 538099991 /nfs/dbraw/zinc/09/99/91/538099991.db2.gz VSTJQVIOFWRWRM-MRVPVSSYSA-N 0 0 237.303 2.482 10 0 BEAERN CCCc1cc2ncc(Br)cn2n1 ZINC000129301875 351034692 /nfs/dbraw/zinc/03/46/92/351034692.db2.gz XCNLINRTWAPHAW-UHFFFAOYSA-N 0 0 240.104 2.444 10 0 BEAERN C[C@@H]1CC[C@H](n2cc(C=O)nn2)C[C@H]1C ZINC000251968228 362999425 /nfs/dbraw/zinc/99/94/25/362999425.db2.gz XZJABTICCBUPTO-KKZNHRDASA-N 0 0 207.277 2.088 10 0 BEAERN CCC=NNC(=O)c1ccccc1Cl ZINC000257353737 351045614 /nfs/dbraw/zinc/04/56/14/351045614.db2.gz SVDNSGUMVAEXKV-UHFFFAOYSA-N 0 0 210.664 2.466 10 0 BEAERN C[C@@H]1CC[C@](CC(=O)[O-])([NH+](C)C)C[C@H]1C ZINC000251939770 362990830 /nfs/dbraw/zinc/99/08/30/362990830.db2.gz VYOQGYNPLRXNNC-FOGDFJRCSA-N 0 0 213.321 2.218 10 0 BEAERN O=[S@](Nc1ccc(Cl)nn1)C1CCCC1 ZINC000306802219 351055347 /nfs/dbraw/zinc/05/53/47/351055347.db2.gz ADBSGXYHBPRUPE-HNNXBMFYSA-N 0 0 245.735 2.148 10 0 BEAERN CC[S@](=O)Nc1ccc(Cl)cc1N ZINC000306803625 351057476 /nfs/dbraw/zinc/05/74/76/351057476.db2.gz WBSUTSNHRCDUFX-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN Cc1cnc(Cl)cc1O[C@H]1CC[N@@H+](C)C1 ZINC000306808012 351060429 /nfs/dbraw/zinc/06/04/29/351060429.db2.gz NUOKTURGQJQCBV-VIFPVBQESA-N 0 0 226.707 2.126 10 0 BEAERN CC1(C)CCC[C@@]1(O)c1cnc(N)s1 ZINC000159846928 351013183 /nfs/dbraw/zinc/01/31/83/351013183.db2.gz YEHLDZWKQXDMKC-SNVBAGLBSA-N 0 0 212.318 2.123 10 0 BEAERN CC(=O)N1CCC[C@@H](c2ccncc2)CC1 ZINC000616629664 351100717 /nfs/dbraw/zinc/10/07/17/351100717.db2.gz ZBMUFDCACQZNCQ-GFCCVEGCSA-N 0 0 218.300 2.198 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccon2)CC1 ZINC000616629632 351100787 /nfs/dbraw/zinc/10/07/87/351100787.db2.gz IJAYKIUTHIFVSX-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN NC(=O)N1CCCC[C@H](c2ccccc2F)C1 ZINC000616630503 351103567 /nfs/dbraw/zinc/10/35/67/351103567.db2.gz YXPFPYIJRSFGPL-JTQLQIEISA-N 0 0 236.290 2.474 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2ccc(N)cc2)C1 ZINC000616631000 351104470 /nfs/dbraw/zinc/10/44/70/351104470.db2.gz XJZTZWKNBDMDLU-CYBMUJFWSA-N 0 0 232.327 2.385 10 0 BEAERN COC(=O)N1CCC[C@@H](c2cnoc2)CC1 ZINC000616631399 351105396 /nfs/dbraw/zinc/10/53/96/351105396.db2.gz SNWXTPQPMYPYQA-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN Cc1sccc1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000296227460 180561724 /nfs/dbraw/zinc/56/17/24/180561724.db2.gz WSGFQMZYOLYMKP-KCJUWKMLSA-N 0 0 239.340 2.042 10 0 BEAERN CC(=O)N1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616631769 351108386 /nfs/dbraw/zinc/10/83/86/351108386.db2.gz HWEDBTPYKSQSJA-CQSZACIVSA-N 0 0 241.294 2.313 10 0 BEAERN CCOC(=O)N1CCC[C@@H]1c1ccccc1CO ZINC000616633601 351115445 /nfs/dbraw/zinc/11/54/45/351115445.db2.gz OAILGSJUZTWYPB-CYBMUJFWSA-N 0 0 249.310 2.472 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@H](C1CCC1)N2 ZINC000725268382 538100064 /nfs/dbraw/zinc/10/00/64/538100064.db2.gz PFHLGLYHXAZHHF-JSGCOSHPSA-N 0 0 233.311 2.193 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1ccccc1CO ZINC000616633624 351116220 /nfs/dbraw/zinc/11/62/20/351116220.db2.gz OOEMDHSYYZTAOQ-GFCCVEGCSA-N 0 0 235.283 2.082 10 0 BEAERN CCN1CCOC[C@@H]1c1ccccc1F ZINC000616636135 351122858 /nfs/dbraw/zinc/12/28/58/351122858.db2.gz AUEWXUDNQOXBAX-GFCCVEGCSA-N 0 0 209.264 2.219 10 0 BEAERN CCCC(=O)N(C)CCc1ccccc1OC ZINC000036111410 358459947 /nfs/dbraw/zinc/45/99/47/358459947.db2.gz MIGXBTUTQJAIFX-UHFFFAOYSA-N 0 0 235.327 2.496 10 0 BEAERN Cc1sc(N)c(C(=O)N(C)C)c1C(C)C ZINC000103132980 180558251 /nfs/dbraw/zinc/55/82/51/180558251.db2.gz JXYYADQBTBFSIZ-UHFFFAOYSA-N 0 0 226.345 2.464 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1c1cn[nH]c1 ZINC000616622436 351086181 /nfs/dbraw/zinc/08/61/81/351086181.db2.gz YGABSZNLIJDSPS-NSHDSACASA-N 0 0 237.303 2.483 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1ccc(N)cc1 ZINC000616623300 351088329 /nfs/dbraw/zinc/08/83/29/351088329.db2.gz DAOYHPKMZZZCOM-GFCCVEGCSA-N 0 0 233.315 2.265 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1cccnc1N ZINC000616623297 351088593 /nfs/dbraw/zinc/08/85/93/351088593.db2.gz CZWFFEDGOWAPJH-GFCCVEGCSA-N 0 0 233.315 2.127 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1ccon1 ZINC000616623904 351090038 /nfs/dbraw/zinc/09/00/38/351090038.db2.gz NVFMMMAWOXBBRM-NSHDSACASA-N 0 0 208.261 2.138 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1ncco1 ZINC000616624824 351093009 /nfs/dbraw/zinc/09/30/09/351093009.db2.gz YXGBGGOSOPFOEW-JTQLQIEISA-N 0 0 208.261 2.138 10 0 BEAERN O=c1cc[nH]n1Cc1ccccc1Cl ZINC000159947563 351125227 /nfs/dbraw/zinc/12/52/27/351125227.db2.gz ZRJVDKYZUROTBN-UHFFFAOYSA-N 0 0 208.648 2.290 10 0 BEAERN CC(=O)N1CCCC[C@H](c2ccccn2)C1 ZINC000616627514 351095541 /nfs/dbraw/zinc/09/55/41/351095541.db2.gz JCNXYXJVLACORR-LBPRGKRZSA-N 0 0 218.300 2.198 10 0 BEAERN CCOC(=O)N1CCC[C@H](n2cccn2)CC1 ZINC000616627684 351095644 /nfs/dbraw/zinc/09/56/44/351095644.db2.gz KRPORQIGVPQFMA-NSHDSACASA-N 0 0 237.303 2.067 10 0 BEAERN NC(=O)N1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616627844 351096420 /nfs/dbraw/zinc/09/64/20/351096420.db2.gz JCKDZGRQIAMMDE-SNVBAGLBSA-N 0 0 236.290 2.474 10 0 BEAERN CC(=O)N1CCC[C@@H](c2cccc(N)c2)CC1 ZINC000616628350 351097744 /nfs/dbraw/zinc/09/77/44/351097744.db2.gz QGEUXSDFNYOVAX-GFCCVEGCSA-N 0 0 232.327 2.385 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccc(OC)cc2C[C@@H]1O ZINC000725268320 538100018 /nfs/dbraw/zinc/10/00/18/538100018.db2.gz MGHWNBRBOMISSS-HERUPUMHSA-N 0 0 235.327 2.439 10 0 BEAERN Nc1cc(Cl)cnc1NCCCF ZINC000306833772 351146560 /nfs/dbraw/zinc/14/65/60/351146560.db2.gz OLUJIMLWXRCJPH-UHFFFAOYSA-N 0 0 203.648 2.089 10 0 BEAERN CCN1CCOC[C@H]1c1ccc2nnccc2c1 ZINC000616641568 351149774 /nfs/dbraw/zinc/14/97/74/351149774.db2.gz JCVYKXVNCWVJEA-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CCN1CCO[C@H](c2ccccc2NC)C1 ZINC000616643491 351157539 /nfs/dbraw/zinc/15/75/39/351157539.db2.gz PQJSOZHGTGRLSL-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN CC(C)[N@@H+]1CCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616646578 351171383 /nfs/dbraw/zinc/17/13/83/351171383.db2.gz JKPRZYNBYSKNNW-ZDUSSCGKSA-N 0 0 249.310 2.167 10 0 BEAERN CC(C)N1CCCOC[C@@H]1C(F)(F)F ZINC000616646825 351172080 /nfs/dbraw/zinc/17/20/80/351172080.db2.gz WPNOCMMHSJRBRW-MRVPVSSYSA-N 0 0 211.227 2.048 10 0 BEAERN COc1cccc([C@H]2COCCCN2C(C)=O)c1 ZINC000616649788 351180088 /nfs/dbraw/zinc/18/00/88/351180088.db2.gz YPZOVJLXJXTPFJ-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CNc1ccccc1[C@@H]1CN(C(C)=O)CCCO1 ZINC000616650976 351181148 /nfs/dbraw/zinc/18/11/48/351181148.db2.gz NEVYVNMWCDQNNR-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CS[C@@H](C)C1 ZINC000306857655 351183781 /nfs/dbraw/zinc/18/37/81/351183781.db2.gz DPLRSNBANUAGKJ-CAHLUQPWSA-N 0 0 217.725 2.306 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cncnc2)C1 ZINC000616650537 351184561 /nfs/dbraw/zinc/18/45/61/351184561.db2.gz GDVQJYGSJQGNDH-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN F[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000616650600 351184711 /nfs/dbraw/zinc/18/47/11/351184711.db2.gz BKYJPCZWKXYEGB-GFCCVEGCSA-N 0 0 209.264 2.205 10 0 BEAERN CC[N@@H+]1CCCO[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616652071 351189975 /nfs/dbraw/zinc/18/99/75/351189975.db2.gz CYFWYWXHUDBZNX-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CCOC(=O)[C@@H]1CCc2sc(=S)[nH]c21 ZINC000306822706 351128613 /nfs/dbraw/zinc/12/86/13/351128613.db2.gz OAVSTTBXLOBWBO-RXMQYKEDSA-N 0 0 229.326 2.025 10 0 BEAERN O=C1CCCCN1Cc1ccnc(Cl)c1 ZINC000052719111 351131430 /nfs/dbraw/zinc/13/14/30/351131430.db2.gz RUYMZACEAOYUKZ-UHFFFAOYSA-N 0 0 224.691 2.248 10 0 BEAERN Cc1cc(CO[C@H]2CCOC2)cc(Cl)n1 ZINC000306826507 351135771 /nfs/dbraw/zinc/13/57/71/351135771.db2.gz ZMCUAUGPIRKALS-JTQLQIEISA-N 0 0 227.691 2.349 10 0 BEAERN CN1C[C@H](c2ccc(N)nc2)Cc2ccccc21 ZINC000616669894 351229428 /nfs/dbraw/zinc/22/94/28/351229428.db2.gz JQYHFBCXWMYUBM-CYBMUJFWSA-N 0 0 239.322 2.270 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1c1cnco1 ZINC000616668438 351230468 /nfs/dbraw/zinc/23/04/68/351230468.db2.gz JURMQHWNNVSIBL-CYBMUJFWSA-N 0 0 244.294 2.161 10 0 BEAERN OCCN1CC[C@@H](c2ccno2)c2ccccc21 ZINC000616670821 351231208 /nfs/dbraw/zinc/23/12/08/351231208.db2.gz CCBVUNRXXHZSOO-GFCCVEGCSA-N 0 0 244.294 2.009 10 0 BEAERN CN1CC[C@@H](c2ccnnc2)c2ccccc21 ZINC000616670940 351231292 /nfs/dbraw/zinc/23/12/92/351231292.db2.gz FBMDXJMDJLYGRF-LBPRGKRZSA-N 0 0 225.295 2.448 10 0 BEAERN Nc1cccc([C@@H]2CNc3ccccc3C2)n1 ZINC000616671112 351231866 /nfs/dbraw/zinc/23/18/66/351231866.db2.gz YHQAZAIZARKECC-NSHDSACASA-N 0 0 225.295 2.416 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@@H](C(C)(C)C)N2 ZINC000725268356 538100102 /nfs/dbraw/zinc/10/01/02/538100102.db2.gz NHMWXHCWGZIPBZ-STQMWFEESA-N 0 0 235.327 2.439 10 0 BEAERN CC(=O)N1C[C@H](C(F)F)Cc2ccccc21 ZINC000616673774 351237979 /nfs/dbraw/zinc/23/79/79/351237979.db2.gz SAWMWYMVGNVQSW-SNVBAGLBSA-N 0 0 225.238 2.477 10 0 BEAERN CN1C[C@@H](c2ncco2)Cc2ccccc21 ZINC000616674231 351238771 /nfs/dbraw/zinc/23/87/71/351238771.db2.gz XLYWSSRUVGKWSK-NSHDSACASA-N 0 0 214.268 2.451 10 0 BEAERN CCN1CC[C@@H](Nc2cc[nH]n2)c2ccccc21 ZINC000616672652 351239659 /nfs/dbraw/zinc/23/96/59/351239659.db2.gz OPQCUEROYHQYPB-GFCCVEGCSA-N 0 0 242.326 2.215 10 0 BEAERN CCN1CC[C@@H](c2nnc[nH]2)c2ccccc21 ZINC000616673284 351240105 /nfs/dbraw/zinc/24/01/05/351240105.db2.gz WDVOKNQEXYKVRW-LLVKDONJSA-N 0 0 228.299 2.167 10 0 BEAERN CN1C[C@@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616673189 351240212 /nfs/dbraw/zinc/24/02/12/351240212.db2.gz PJNMEHYYSTUKAJ-NSHDSACASA-N 0 0 213.284 2.186 10 0 BEAERN CCN1C[C@@H](c2ccnnc2)Nc2ccccc21 ZINC000616680751 351247790 /nfs/dbraw/zinc/24/77/90/351247790.db2.gz GREYLKXZJTUOKI-ZDUSSCGKSA-N 0 0 240.310 2.470 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1ncccn1 ZINC000616683575 351252157 /nfs/dbraw/zinc/25/21/57/351252157.db2.gz SEVFADIBVGJLRS-CYBMUJFWSA-N 0 0 240.310 2.470 10 0 BEAERN CCOC(=O)[C@@H]1CN(C(C)C)c2ccccc2N1 ZINC000616681857 351252189 /nfs/dbraw/zinc/25/21/89/351252189.db2.gz XXYVZEJUCOAJQE-LBPRGKRZSA-N 0 0 248.326 2.259 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cocn1 ZINC000616682501 351252877 /nfs/dbraw/zinc/25/28/77/351252877.db2.gz GZYCJAVFMSJHTK-LBPRGKRZSA-N 0 0 215.256 2.278 10 0 BEAERN CN1C[C@H](c2cn[nH]c2)Nc2ccccc21 ZINC000616682200 351252990 /nfs/dbraw/zinc/25/29/90/351252990.db2.gz GTUAWYDICZRNGW-LLVKDONJSA-N 0 0 214.272 2.013 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@H]1OC ZINC000616682690 351253520 /nfs/dbraw/zinc/25/35/20/351253520.db2.gz BHUKKNBUJKBSEJ-LLVKDONJSA-N 0 0 236.271 2.048 10 0 BEAERN CCOC(=O)[C@@H]1CNc2ccccc2N1C(C)C ZINC000616685185 351254203 /nfs/dbraw/zinc/25/42/03/351254203.db2.gz QNVCLJJTVYXVLI-ZDUSSCGKSA-N 0 0 248.326 2.259 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ccon1 ZINC000616683319 351254253 /nfs/dbraw/zinc/25/42/53/351254253.db2.gz NJQSVJJYSRLWOC-LBPRGKRZSA-N 0 0 215.256 2.278 10 0 BEAERN CC[C@@H]1CNc2ccccc2N1C(=O)OC ZINC000616685430 351257801 /nfs/dbraw/zinc/25/78/01/351257801.db2.gz VOEFRBGOMLPMCA-SECBINFHSA-N 0 0 220.272 2.464 10 0 BEAERN CC[C@H]1Cc2ccccc2N(S(C)(=O)=O)C1 ZINC000616690383 351259575 /nfs/dbraw/zinc/25/95/75/351259575.db2.gz OIUPPKYNNPNQPX-JTQLQIEISA-N 0 0 239.340 2.035 10 0 BEAERN COC(=O)N1CCCC[C@@H](C(F)F)C1 ZINC000616654232 351195582 /nfs/dbraw/zinc/19/55/82/351195582.db2.gz QMAMOHYRDVDSMP-SSDOTTSWSA-N 0 0 207.220 2.120 10 0 BEAERN CCOC(=O)N1CCOCC[C@H]1C(C)(C)C ZINC000616656825 351197583 /nfs/dbraw/zinc/19/75/83/351197583.db2.gz HRDBFVPNMNOJNP-JTQLQIEISA-N 0 0 229.320 2.280 10 0 BEAERN COC(=O)N1c2ccccc2CC[C@@H]1C(C)=O ZINC000616667298 351224165 /nfs/dbraw/zinc/22/41/65/351224165.db2.gz GWDFKASLBTVTCW-LLVKDONJSA-N 0 0 233.267 2.163 10 0 BEAERN CN1c2ccccc2CC[C@H]1c1cnno1 ZINC000616668591 351227521 /nfs/dbraw/zinc/22/75/21/351227521.db2.gz ANVKYINSWOCNMF-NSHDSACASA-N 0 0 215.256 2.193 10 0 BEAERN OCc1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000068945749 351300600 /nfs/dbraw/zinc/30/06/00/351300600.db2.gz PXVQCGHVSMNPDP-UHFFFAOYSA-N 0 0 208.648 2.222 10 0 BEAERN CCOc1cc(OC)cc(OC)c1C(C)=O ZINC000005906077 351300794 /nfs/dbraw/zinc/30/07/94/351300794.db2.gz FWPNVPQGFSNPKI-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN Cc1csc(CC(=O)c2ccco2)n1 ZINC000068979425 351309703 /nfs/dbraw/zinc/30/97/03/351309703.db2.gz CYJVXDUMKLLHAN-UHFFFAOYSA-N 0 0 207.254 2.470 10 0 BEAERN Nc1cnc(Cl)cc1Br ZINC000306909901 351324296 /nfs/dbraw/zinc/32/42/96/351324296.db2.gz HVHPDQJBQOEOQO-UHFFFAOYSA-N 0 0 207.458 2.080 10 0 BEAERN CC[C@H](Nc1nc(C)cs1)[C@@H](C)O ZINC000306879903 351271470 /nfs/dbraw/zinc/27/14/70/351271470.db2.gz KBPWFISQCWCTBW-SFYZADRCSA-N 0 0 200.307 2.023 10 0 BEAERN Brc1ccn(CCC2CC2)n1 ZINC000306880826 351278260 /nfs/dbraw/zinc/27/82/60/351278260.db2.gz KZUTXHUZIUPXEW-UHFFFAOYSA-N 0 0 215.094 2.446 10 0 BEAERN Nc1cc(N)c(OC(F)(F)F)cc1Cl ZINC000306989352 351405158 /nfs/dbraw/zinc/40/51/58/351405158.db2.gz HEKISMAKUHRWPU-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN Cc1cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)on1 ZINC000631126889 351377911 /nfs/dbraw/zinc/37/79/11/351377911.db2.gz NCNSVACMGGRYLP-QWRGUYRKSA-N 0 0 238.331 2.276 10 0 BEAERN CC(C)(C)NC(=O)[C@H]1CCCC1(F)F ZINC000306962377 351383885 /nfs/dbraw/zinc/38/38/85/351383885.db2.gz FYVGMEMBWURGGQ-SSDOTTSWSA-N 0 0 205.248 2.337 10 0 BEAERN Cc1ccc(C)c([C@H]2C=CS(=O)(=O)C2)c1 ZINC000040173778 351392219 /nfs/dbraw/zinc/39/22/19/351392219.db2.gz XDZVBGAUQPLSNL-NSHDSACASA-N 0 0 222.309 2.329 10 0 BEAERN Cc1ccc([C@H]2C=CS(=O)(=O)C2)cc1C ZINC000040173760 351392897 /nfs/dbraw/zinc/39/28/97/351392897.db2.gz DQSBSYXLFOIAEC-LBPRGKRZSA-N 0 0 222.309 2.329 10 0 BEAERN Cc1ncsc1C(=O)c1cscn1 ZINC000306978661 351396987 /nfs/dbraw/zinc/39/69/87/351396987.db2.gz DCLZWTABEBZYBO-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN C[C@@H]1CCN(C2N=NC(=S)S2)[C@H]1C ZINC000306982073 351399567 /nfs/dbraw/zinc/39/95/67/351399567.db2.gz QYTZCPACSPGUEQ-RITPCOANSA-N 0 0 215.347 2.062 10 0 BEAERN CCCNc1nc(C(F)(F)F)ns1 ZINC000228772222 351345304 /nfs/dbraw/zinc/34/53/04/351345304.db2.gz NCCJTMKBQIINIX-UHFFFAOYSA-N 0 0 211.212 2.379 10 0 BEAERN NC(=O)c1ccc(Cl)c(OC(F)F)c1 ZINC000306929375 351345896 /nfs/dbraw/zinc/34/58/96/351345896.db2.gz BBGZWZDOOBVMMG-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN Cc1ccsc1C(=O)c1ccnn1C ZINC000168241661 351349312 /nfs/dbraw/zinc/34/93/12/351349312.db2.gz LLCFUGYFYZRELD-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN Clc1ccc(OCCc2ccccn2)nn1 ZINC000034958479 351364503 /nfs/dbraw/zinc/36/45/03/351364503.db2.gz PXVUVLULQPBDBJ-UHFFFAOYSA-N 0 0 235.674 2.147 10 0 BEAERN Cc1c[nH]c(N(C)Cc2ccsc2)n1 ZINC000307021427 351429574 /nfs/dbraw/zinc/42/95/74/351429574.db2.gz BGLKDJAEWXLRPC-UHFFFAOYSA-N 0 0 207.302 2.416 10 0 BEAERN Cc1ccc(N[S@](=O)C(C)C)c(O)c1 ZINC000307031814 351432980 /nfs/dbraw/zinc/43/29/80/351432980.db2.gz FQFDOVZMWNOFJT-CQSZACIVSA-N 0 0 213.302 2.185 10 0 BEAERN O[C@@H](CN1CCC1)c1sccc1Cl ZINC000307031887 351433128 /nfs/dbraw/zinc/43/31/28/351433128.db2.gz QTZUJCIUWODGRG-QMMMGPOBSA-N 0 0 217.721 2.141 10 0 BEAERN C[C@H](N1C(=S)N=NC1C)C(C)(F)F ZINC000307039632 351437066 /nfs/dbraw/zinc/43/70/66/351437066.db2.gz IQUOUFZVVSMVAV-BYPYZUCNSA-N 0 0 207.249 2.091 10 0 BEAERN CC1(C)OC[C@H](Cc2ccsc2)[C@H]1O ZINC000307035883 351437812 /nfs/dbraw/zinc/43/78/12/351437812.db2.gz WCKSOFVZWJYSQP-VHSXEESVSA-N 0 0 212.314 2.077 10 0 BEAERN Cc1c[nH]c([C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC000307047127 351447374 /nfs/dbraw/zinc/44/73/74/351447374.db2.gz ZRKYSWVEXKRSQX-MRVPVSSYSA-N 0 0 239.319 2.346 10 0 BEAERN Cc1cc([C@H]2NC[C@H](C)S2)sn1 ZINC000404439024 351449926 /nfs/dbraw/zinc/44/99/26/351449926.db2.gz IRMBHIPFURHQLB-XPUUQOCRSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1cnc([C@H]2NC[C@@H](C)CS2)s1 ZINC000307051306 351453608 /nfs/dbraw/zinc/45/36/08/351453608.db2.gz SJBJMHVZIGXGIE-SVRRBLITSA-N 0 0 214.359 2.423 10 0 BEAERN CC(C)OCc1cc(Br)no1 ZINC000307056109 351456113 /nfs/dbraw/zinc/45/61/13/351456113.db2.gz BJEFBCKWXBKTFT-UHFFFAOYSA-N 0 0 220.066 2.362 10 0 BEAERN Cc1nc([C@H](O)Cc2ccsc2)co1 ZINC000307059698 351458368 /nfs/dbraw/zinc/45/83/68/351458368.db2.gz IIONQXDUWVUPRT-SNVBAGLBSA-N 0 0 209.270 2.321 10 0 BEAERN Cc1ccc(C(=O)[C@@H](C)N2CCC2)cc1 ZINC000307064191 351461074 /nfs/dbraw/zinc/46/10/74/351461074.db2.gz QCBCTIFPHJRVBF-LLVKDONJSA-N 0 0 203.285 2.272 10 0 BEAERN Clc1cc(NCc2ccno2)ccn1 ZINC000231915011 351461581 /nfs/dbraw/zinc/46/15/81/351461581.db2.gz FHKYAQLEWKSVQE-UHFFFAOYSA-N 0 0 209.636 2.335 10 0 BEAERN Brc1c[nH]nc1[C@@H]1CCCO1 ZINC000307065086 351461712 /nfs/dbraw/zinc/46/17/12/351461712.db2.gz QUYFONMUNGUCGO-LURJTMIESA-N 0 0 217.066 2.024 10 0 BEAERN C[C@]1(C(=O)C[C@@H]2CCOC2)CCCS1 ZINC000307068598 351463530 /nfs/dbraw/zinc/46/35/30/351463530.db2.gz WVRGYNZZYMAMMK-GXSJLCMTSA-N 0 0 214.330 2.268 10 0 BEAERN C[C@@H](NC1=NCCCS1)C(F)(F)F ZINC000307070387 351463908 /nfs/dbraw/zinc/46/39/08/351463908.db2.gz FDEQYZCYGLXPBX-RXMQYKEDSA-N 0 0 212.240 2.020 10 0 BEAERN C[C@H](O)c1csc(N2CCC[C@H]2C)n1 ZINC000252097136 363030949 /nfs/dbraw/zinc/03/09/49/363030949.db2.gz FPTFXQOSPMKURC-SFYZADRCSA-N 0 0 212.318 2.185 10 0 BEAERN Oc1cccc([C@@H](O)C(F)F)c1Cl ZINC000306990784 351409470 /nfs/dbraw/zinc/40/94/70/351409470.db2.gz UHGUBVAARHDMNK-SSDOTTSWSA-N 0 0 208.591 2.344 10 0 BEAERN CC[C@@H](N[C@H](C)C(=O)OC)c1ccccc1F ZINC000122511909 363032242 /nfs/dbraw/zinc/03/22/42/363032242.db2.gz DWPIAAIAIZXJAG-BXKDBHETSA-N 0 0 239.290 2.428 10 0 BEAERN C[C@@H]1C[C@H](n2ncc(Br)c2N)[C@@H]1C ZINC000307074568 351464649 /nfs/dbraw/zinc/46/46/49/351464649.db2.gz NBPOUXGGZFWYSM-JKMUOGBPSA-N 0 0 244.136 2.445 10 0 BEAERN Cc1nsc(N[C@H](C)C(F)(F)F)n1 ZINC000307139368 351495419 /nfs/dbraw/zinc/49/54/19/351495419.db2.gz BTFPIASJDWDTBE-GSVOUGTGSA-N 0 0 211.212 2.209 10 0 BEAERN C[C@]1([C@@H](O)c2cscn2)CCCS1 ZINC000307144058 351501877 /nfs/dbraw/zinc/50/18/77/351501877.db2.gz FSSBUHVDWXGPLJ-DTWKUNHWSA-N 0 0 215.343 2.462 10 0 BEAERN C[C@@H]1CSC[C@@]12[NH2+]CC[C@@H](C)S2 ZINC000307153487 351506621 /nfs/dbraw/zinc/50/66/21/351506621.db2.gz JYUUFYPDMVRQCO-HLTSFMKQSA-N 0 0 203.376 2.181 10 0 BEAERN NNc1cc2ccccc2nc1C1CCOCC1 ZINC000725268280 538100373 /nfs/dbraw/zinc/10/03/73/538100373.db2.gz KVINLYYJTNSCCI-UHFFFAOYSA-N 0 0 243.310 2.414 10 0 BEAERN OC[C@@H]1CCO[C@H]1c1sccc1Cl ZINC000307160283 351511882 /nfs/dbraw/zinc/51/18/82/351511882.db2.gz VSAPGURKFWAJEA-POYBYMJQSA-N 0 0 218.705 2.471 10 0 BEAERN Cc1cc(-c2nc(C=O)cs2)sn1 ZINC000404462192 351468479 /nfs/dbraw/zinc/46/84/79/351468479.db2.gz URGIVDFPSZLYFS-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN O=c1[nH]ccn1-c1c(Cl)cccc1Cl ZINC000231938375 351472609 /nfs/dbraw/zinc/47/26/09/351472609.db2.gz RSQWXMOZBGNXTP-UHFFFAOYSA-N 0 0 229.066 2.472 10 0 BEAERN Clc1cnccc1CNCc1ccccn1 ZINC000083360493 180599980 /nfs/dbraw/zinc/59/99/80/180599980.db2.gz LOPJQERWDCCJDP-UHFFFAOYSA-N 0 0 233.702 2.420 10 0 BEAERN Nc1ncc(Br)cc1NCC1CC1 ZINC000218275093 351479532 /nfs/dbraw/zinc/47/95/32/351479532.db2.gz BKKBJCOLKGSZJJ-UHFFFAOYSA-N 0 0 242.120 2.248 10 0 BEAERN COCc1nc(Cl)cc(NC2(C)CC2)n1 ZINC000228910155 351484352 /nfs/dbraw/zinc/48/43/52/351484352.db2.gz DBTKSQAUOARILT-UHFFFAOYSA-N 0 0 227.695 2.241 10 0 BEAERN CC(C)c1ncn([C@H]2CCCC(=O)C2)n1 ZINC000307115945 351487721 /nfs/dbraw/zinc/48/77/21/351487721.db2.gz DVAIJOUDVOEBDE-VIFPVBQESA-N 0 0 207.277 2.086 10 0 BEAERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](O)C2)s1 ZINC000390795744 363060047 /nfs/dbraw/zinc/06/00/47/363060047.db2.gz QWHLJZBIIRPHCS-HTQZYQBOSA-N 0 0 242.300 2.372 10 0 BEAERN C/C(=C\Cl)C[C@@H]1CCCCNC1=O ZINC000232017038 351529583 /nfs/dbraw/zinc/52/95/83/351529583.db2.gz LDEMIGITVWHMDC-FLOXNTQESA-N 0 0 201.697 2.435 10 0 BEAERN COc1ccc2c(c1)N[C@@H](C(C)(C)C)[C@H](O)C2 ZINC000725268297 538100416 /nfs/dbraw/zinc/10/04/16/538100416.db2.gz LQGKOJFYBKIHQS-CHWSQXEVSA-N 0 0 235.327 2.439 10 0 BEAERN O=Cc1cc(O)cc(Br)c1F ZINC000307168023 351538090 /nfs/dbraw/zinc/53/80/90/351538090.db2.gz TYMDDDOABCJFHV-UHFFFAOYSA-N 0 0 219.009 2.106 10 0 BEAERN CCc1c(C)nc(CN2CCC2)nc1Cl ZINC000307168519 351542723 /nfs/dbraw/zinc/54/27/23/351542723.db2.gz VIUGNTOIQPCUPA-UHFFFAOYSA-N 0 0 225.723 2.207 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000307178733 351565636 /nfs/dbraw/zinc/56/56/36/351565636.db2.gz JNLWOMSRTBXKQN-VXNVDRBHSA-N 0 0 201.697 2.434 10 0 BEAERN COc1cccc2cc(NN)c(C3CC3)nc21 ZINC000725268437 538100629 /nfs/dbraw/zinc/10/06/29/538100629.db2.gz QTAKYBUSYPLDHJ-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN CCc1cnc2sc(Br)nn12 ZINC000054159060 351570473 /nfs/dbraw/zinc/57/04/73/351570473.db2.gz FQHZTXCEIGMQFM-UHFFFAOYSA-N 0 0 232.106 2.116 10 0 BEAERN OC1CCC(CSc2ncns2)CC1 ZINC000307182026 351574806 /nfs/dbraw/zinc/57/48/06/351574806.db2.gz NPRVQCKZDMGELA-UHFFFAOYSA-N 0 0 230.358 2.181 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ncc(Cl)s1 ZINC000307187983 351589785 /nfs/dbraw/zinc/58/97/85/351589785.db2.gz AUBBFRJGVHZCCD-NTSWFWBYSA-N 0 0 218.709 2.122 10 0 BEAERN COc1ncc([C@@]2(O)CCC[C@H]2C)s1 ZINC000307204188 351606587 /nfs/dbraw/zinc/60/65/87/351606587.db2.gz FOIKPDAQNYIJDZ-GMSGAONNSA-N 0 0 213.302 2.159 10 0 BEAERN Nc1nc(-c2ccc(OC(F)F)nc2)cs1 ZINC000606302129 351553503 /nfs/dbraw/zinc/55/35/03/351553503.db2.gz CVPHICYJBUKUGF-UHFFFAOYSA-N 0 0 243.238 2.219 10 0 BEAERN CCc1cccc2c1N[C@@H](C(C)(C)OC)[C@@H](O)C2 ZINC000725268443 538100592 /nfs/dbraw/zinc/10/05/92/538100592.db2.gz QXPZIEURHMSTJW-GXTWGEPZSA-N 0 0 249.354 2.372 10 0 BEAERN COC(=O)C[C@@H]1COc2ccc(C)cc21 ZINC000606302777 351558589 /nfs/dbraw/zinc/55/85/89/351558589.db2.gz VZCQAETVEAKXDH-SECBINFHSA-N 0 0 206.241 2.034 10 0 BEAERN COC(=O)[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2F ZINC000606303402 351559714 /nfs/dbraw/zinc/55/97/14/351559714.db2.gz DUZWTZXPMOBZAS-LAEOZQHASA-N 0 0 200.253 2.324 10 0 BEAERN C[C@]1(C(=O)NC2CCC2)CC1(Cl)Cl ZINC000307221102 351644457 /nfs/dbraw/zinc/64/44/57/351644457.db2.gz PKXJYKCOGXAFAD-MRVPVSSYSA-N 0 0 222.115 2.239 10 0 BEAERN C[C@H]1C[C@H](NC2N=NC(=S)S2)CS1 ZINC000307214999 351616164 /nfs/dbraw/zinc/61/61/64/351616164.db2.gz SFSJZHQNZHXCCY-WHFBIAKZSA-N 0 0 233.387 2.133 10 0 BEAERN CCS[C@H]1CCN(c2ncc(N)s2)C1 ZINC000307215816 351618180 /nfs/dbraw/zinc/61/81/80/351618180.db2.gz BLLMSZOPKQQPMW-ZETCQYMHSA-N 0 0 229.374 2.057 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@H](C1CCC1)N2 ZINC000725268453 538100898 /nfs/dbraw/zinc/10/08/98/538100898.db2.gz RHFQPZOLNUKTMM-KGLIPLIRSA-N 0 0 233.311 2.193 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](O)[C@@H](C(F)F)N2 ZINC000725268586 538100829 /nfs/dbraw/zinc/10/08/29/538100829.db2.gz WJEAUXRNVNYHKH-QWRGUYRKSA-N 0 0 243.253 2.048 10 0 BEAERN CC[S@@](=O)Nc1cnc(Cl)c(C)c1 ZINC000307236632 351725824 /nfs/dbraw/zinc/72/58/24/351725824.db2.gz NTUYGECXWBFZRH-CYBMUJFWSA-N 0 0 218.709 2.139 10 0 BEAERN NN[C@@H](C1CC(F)(F)C1)C1CCCC1 ZINC000307237544 351726416 /nfs/dbraw/zinc/72/64/16/351726416.db2.gz GTLQPFVGGPTJOK-SECBINFHSA-N 0 0 204.264 2.054 10 0 BEAERN CC(C)n1nccc1[C@@H](N)C(C)(F)F ZINC000307253305 351780236 /nfs/dbraw/zinc/78/02/36/351780236.db2.gz VAMJXFSLEYBJBX-MRVPVSSYSA-N 0 0 203.236 2.119 10 0 BEAERN C[C@H](CC(C)(C)O)Nc1cc(Cl)ncn1 ZINC000307254935 351787045 /nfs/dbraw/zinc/78/70/45/351787045.db2.gz YUWZCJUZTJOSAC-SSDOTTSWSA-N 0 0 229.711 2.091 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)c1cncnc1 ZINC000307254679 351789153 /nfs/dbraw/zinc/78/91/53/351789153.db2.gz YEMVYNPJYCLDLG-MWLCHTKSSA-N 0 0 204.273 2.486 10 0 BEAERN Cc1cnc(Cl)nc1N1CC(C)(C)C1 ZINC000307255835 351789919 /nfs/dbraw/zinc/78/99/19/351789919.db2.gz ACGSCPRHQMIFLH-UHFFFAOYSA-N 0 0 211.696 2.285 10 0 BEAERN CC(C)Oc1cnn(-c2nsnc2Cl)c1 ZINC000307255868 351790870 /nfs/dbraw/zinc/79/08/70/351790870.db2.gz AMPYJICINZBTNE-UHFFFAOYSA-N 0 0 244.707 2.164 10 0 BEAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000307256456 351791311 /nfs/dbraw/zinc/79/13/11/351791311.db2.gz APSZNWWKVCAISO-SNVBAGLBSA-N 0 0 229.320 2.422 10 0 BEAERN CCN(c1cccc(Cl)n1)[C@H]1CCOC1 ZINC000307271954 351823076 /nfs/dbraw/zinc/82/30/76/351823076.db2.gz DCCDCNCMJMHEER-VIFPVBQESA-N 0 0 226.707 2.350 10 0 BEAERN COc1ccc([C@@H](N)c2cncs2)s1 ZINC000307262527 351809480 /nfs/dbraw/zinc/80/94/80/351809480.db2.gz XHEDSTTWEPMQPH-SECBINFHSA-N 0 0 226.326 2.261 10 0 BEAERN CSc1cc(C(F)(F)F)ncc1N ZINC000232136954 351853210 /nfs/dbraw/zinc/85/32/10/351853210.db2.gz RICTXZNYWPNJHR-UHFFFAOYSA-N 0 0 208.208 2.405 10 0 BEAERN Cn1cc(Cl)c2nc(Cl)ncc21 ZINC000299890147 180654244 /nfs/dbraw/zinc/65/42/44/180654244.db2.gz UVBCHSJUEUKQAC-UHFFFAOYSA-N 0 0 202.044 2.275 10 0 BEAERN C[C@@H]1CN(C2=NC(=O)CS2)C[C@H](C)S1 ZINC000307281805 351843995 /nfs/dbraw/zinc/84/39/95/351843995.db2.gz KEOPSLQAPYZAAK-KNVOCYPGSA-N 0 0 230.358 2.179 10 0 BEAERN Cn1cc(CNc2ccc(Cl)cc2N)cn1 ZINC000041054648 180652703 /nfs/dbraw/zinc/65/27/03/180652703.db2.gz NNOLSJJQOSOOGO-UHFFFAOYSA-N 0 0 236.706 2.268 10 0 BEAERN O=C(C[C@H]1CCCC1(F)F)c1ncc[nH]1 ZINC000307303426 351927504 /nfs/dbraw/zinc/92/75/04/351927504.db2.gz BTKAKZHTDZJZSF-SSDOTTSWSA-N 0 0 214.215 2.418 10 0 BEAERN Nc1ccc(N)c(OC(F)(F)F)c1Cl ZINC000307297413 351905051 /nfs/dbraw/zinc/90/50/51/351905051.db2.gz UISYIAZOCFKNHM-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN C[C@H](N1CCS[C@H](C)C1)C(F)(F)F ZINC000307297546 351905232 /nfs/dbraw/zinc/90/52/32/351905232.db2.gz SFYPDORTSUYVCL-RQJHMYQMSA-N 0 0 213.268 2.375 10 0 BEAERN CC(=O)c1nc(-c2cnsc2)cs1 ZINC000404725957 351949700 /nfs/dbraw/zinc/94/97/00/351949700.db2.gz NTWPBFJXBWASMJ-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN C/C(=C\Cl)CN1CCCC[C@H]1C=O ZINC000393366725 351952084 /nfs/dbraw/zinc/95/20/84/351952084.db2.gz GACXPYKHOCBLDW-ZKXNXJMVSA-N 0 0 201.697 2.182 10 0 BEAERN Cn1cc(Oc2nc3cc(F)ccc3o2)cn1 ZINC000302401661 180663263 /nfs/dbraw/zinc/66/32/63/180663263.db2.gz DYCONPWMUOUFSY-UHFFFAOYSA-N 0 0 233.202 2.493 10 0 BEAERN CC(C)[S@@](=O)Nc1cc(Cl)ccn1 ZINC000307332469 352048399 /nfs/dbraw/zinc/04/83/99/352048399.db2.gz PUQKGXMFTCFDEI-CYBMUJFWSA-N 0 0 218.709 2.219 10 0 BEAERN Cc1cc(C)cc(NCC2OCCO2)c1 ZINC000307334654 352054095 /nfs/dbraw/zinc/05/40/95/352054095.db2.gz BBOOIESCTRDILS-UHFFFAOYSA-N 0 0 207.273 2.088 10 0 BEAERN CC[C@H](C)N(C)c1cnc(Br)cn1 ZINC000307336949 352055582 /nfs/dbraw/zinc/05/55/82/352055582.db2.gz FRKJEQMDUUJAQY-ZETCQYMHSA-N 0 0 244.136 2.474 10 0 BEAERN CN(C)[S@](C)(=O)=NCC1CCC(F)CC1 ZINC000725270023 538101950 /nfs/dbraw/zinc/10/19/50/538101950.db2.gz CQAIZINDRYNTSU-HKJQSTPSSA-N 0 0 236.356 2.089 10 0 BEAERN Cc1cc(C[C@H](O)[C@H]2CCCO2)cs1 ZINC000307323966 352019110 /nfs/dbraw/zinc/01/91/10/352019110.db2.gz DGJYRVNSJVACOY-WDEREUQCSA-N 0 0 212.314 2.139 10 0 BEAERN COC(=O)c1cccc(OC(C)(C)C)n1 ZINC000044200170 352207061 /nfs/dbraw/zinc/20/70/61/352207061.db2.gz OACLCKBBFAJFDI-UHFFFAOYSA-N 0 0 209.245 2.046 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1O ZINC000219379625 363134617 /nfs/dbraw/zinc/13/46/17/363134617.db2.gz CBZNOKAFOMSSLW-KXUCPTDWSA-N 0 0 229.320 2.061 10 0 BEAERN CC(=O)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000300943554 363177205 /nfs/dbraw/zinc/17/72/05/363177205.db2.gz SMTSNFZPVIPXDX-ZCFIWIBFSA-N 0 0 216.187 2.175 10 0 BEAERN CC(=O)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000300943553 363177373 /nfs/dbraw/zinc/17/73/73/363177373.db2.gz SMTSNFZPVIPXDX-LURJTMIESA-N 0 0 216.187 2.175 10 0 BEAERN NC(=S)CC(=O)Nc1ccsc1Cl ZINC000307355667 352323972 /nfs/dbraw/zinc/32/39/72/352323972.db2.gz YLVMFISRUYHIGF-UHFFFAOYSA-N 0 0 234.733 2.016 10 0 BEAERN COc1cc(C=O)c2c(Cl)c[nH]c2n1 ZINC000044712616 352383669 /nfs/dbraw/zinc/38/36/69/352383669.db2.gz KIKDGNHCFXXKEZ-UHFFFAOYSA-N 0 0 210.620 2.037 10 0 BEAERN Nc1cccc2c1CC[C@H]2NC(=O)C1CCC1 ZINC000725272168 538103691 /nfs/dbraw/zinc/10/36/91/538103691.db2.gz ZBHGQOSTYPPXAZ-CYBMUJFWSA-N 0 0 230.311 2.172 10 0 BEAERN O[C@@H](Cn1ccnc1)c1ccsc1Cl ZINC000307363855 352449954 /nfs/dbraw/zinc/44/99/54/352449954.db2.gz KGHBHFJLFPTBCG-QMMMGPOBSA-N 0 0 228.704 2.332 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCCC1(C)C ZINC000307374800 352473831 /nfs/dbraw/zinc/47/38/31/352473831.db2.gz TZKAGORNQYXABF-QMMMGPOBSA-N 0 0 201.697 2.434 10 0 BEAERN CC(C)CNC(=O)N[C@H]1CCc2c1cccc2N ZINC000725271500 538103578 /nfs/dbraw/zinc/10/35/78/538103578.db2.gz NVVAXXOIINNSFE-ZDUSSCGKSA-N 0 0 247.342 2.211 10 0 BEAERN Nc1cc(-c2cscc2Br)[nH]n1 ZINC000404801040 352484751 /nfs/dbraw/zinc/48/47/51/352484751.db2.gz IHFCUPVGZSHVGQ-UHFFFAOYSA-N 0 0 244.117 2.313 10 0 BEAERN Cc1cc(C(=O)c2ccc[nH]2)cc(C)n1 ZINC000307389218 352546382 /nfs/dbraw/zinc/54/63/82/352546382.db2.gz PZCPFVXSADNNDM-UHFFFAOYSA-N 0 0 200.241 2.258 10 0 BEAERN O[C@@H](c1ccsn1)[C@@H]1CCCS1 ZINC000307388389 352548053 /nfs/dbraw/zinc/54/80/53/352548053.db2.gz HEXIXJKDMJPWBA-YUMQZZPRSA-N 0 0 201.316 2.072 10 0 BEAERN O[C@H](c1ccsn1)[C@H]1CCCS1 ZINC000307388386 352548099 /nfs/dbraw/zinc/54/80/99/352548099.db2.gz HEXIXJKDMJPWBA-HTQZYQBOSA-N 0 0 201.316 2.072 10 0 BEAERN CCCOC(=O)Nc1cc(Cl)ncn1 ZINC000307388350 352548106 /nfs/dbraw/zinc/54/81/06/352548106.db2.gz GXRMFKDUBLVDPN-UHFFFAOYSA-N 0 0 215.640 2.089 10 0 BEAERN Cc1csc(CC(=O)c2ccc[nH]2)n1 ZINC000307388379 352548233 /nfs/dbraw/zinc/54/82/33/352548233.db2.gz HECZGKBPEBVVIW-UHFFFAOYSA-N 0 0 206.270 2.205 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000252172446 363190650 /nfs/dbraw/zinc/19/06/50/363190650.db2.gz RKMVPFVFWBQOCA-DSYKOEDSSA-N 0 0 209.211 2.100 10 0 BEAERN CCOC(=O)Cc1c(C)cc(F)cc1C#N ZINC000396167779 352550595 /nfs/dbraw/zinc/55/05/95/352550595.db2.gz YKOFVKFTDRAALY-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN C[C@@H]1SC[C@H]([C@H](O)C2CC2)S[C@H]1C ZINC000300023498 352552632 /nfs/dbraw/zinc/55/26/32/352552632.db2.gz CTLZWFZXOYZLBG-AKEJEFCPSA-N 0 0 218.387 2.383 10 0 BEAERN C[C@@]1([C@@H](O)C(F)(F)F)CCCS1 ZINC000307409730 352586303 /nfs/dbraw/zinc/58/63/03/352586303.db2.gz FWEBQXMUDUGNQZ-RITPCOANSA-N 0 0 200.225 2.195 10 0 BEAERN C[C@H]1COCC[C@H]1Nc1nsnc1Cl ZINC000301048450 352586416 /nfs/dbraw/zinc/58/64/16/352586416.db2.gz ZECRHCHDWZTNSF-NTSWFWBYSA-N 0 0 233.724 2.028 10 0 BEAERN N[C@@H](c1cnsc1)c1ccc(Cl)o1 ZINC000404833585 352588153 /nfs/dbraw/zinc/58/81/53/352588153.db2.gz JBACMXGDNBLWTL-QMMMGPOBSA-N 0 0 214.677 2.438 10 0 BEAERN COC(=O)c1cc([O-])c(Cl)cc1Cl ZINC000307417263 352589245 /nfs/dbraw/zinc/58/92/45/352589245.db2.gz JWACFOLONSQNOX-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN Cc1nn2cc(-c3ccoc3)nc2s1 ZINC000232279896 352592634 /nfs/dbraw/zinc/59/26/34/352592634.db2.gz HHRNONDWFROMKQ-UHFFFAOYSA-N 0 0 205.242 2.359 10 0 BEAERN Cc1cc2c(cc1Br)OCC2=O ZINC000307437678 352596657 /nfs/dbraw/zinc/59/66/57/352596657.db2.gz MBOSETFJVIENQT-UHFFFAOYSA-N 0 0 227.057 2.333 10 0 BEAERN [NH3+][C@H](c1ccsc1)C1(C(=O)[O-])CCC1 ZINC000307444188 352597239 /nfs/dbraw/zinc/59/72/39/352597239.db2.gz BOEGUNFIXSRXKF-MRVPVSSYSA-N 0 0 211.286 2.003 10 0 BEAERN Nc1ccc(OC(F)(F)F)c(F)c1O ZINC000307440851 352597255 /nfs/dbraw/zinc/59/72/55/352597255.db2.gz YHMUZPAMXVXQPK-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN Brc1ccc(CC[C@H]2CO2)o1 ZINC000307450765 352606815 /nfs/dbraw/zinc/60/68/15/352606815.db2.gz RQURKDBYXDGRIE-ZETCQYMHSA-N 0 0 217.062 2.374 10 0 BEAERN CCc1c[nH]nc1NC(=O)NCc1ccccc1 ZINC000232306063 352610939 /nfs/dbraw/zinc/61/09/39/352610939.db2.gz KKHZNVCAPNCXAR-UHFFFAOYSA-N 0 0 244.298 2.294 10 0 BEAERN Cc1[nH]nc(NC(=O)NCc2ccccc2)c1C ZINC000232306058 352611267 /nfs/dbraw/zinc/61/12/67/352611267.db2.gz TWUREKYCODSTJW-UHFFFAOYSA-N 0 0 244.298 2.348 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)C(F)(F)Cl)C1 ZINC000307465762 352615068 /nfs/dbraw/zinc/61/50/68/352615068.db2.gz AKWOGVDGHOHGJX-WDSKDSINSA-N 0 0 211.639 2.123 10 0 BEAERN FC1(F)CC[C@H](c2nc(Cl)n[nH]2)C1 ZINC000300847574 352576511 /nfs/dbraw/zinc/57/65/11/352576511.db2.gz HKYOIOXDGPFFND-BYPYZUCNSA-N 0 0 207.611 2.361 10 0 BEAERN COC(=O)c1c(C)cc(Br)cc1N ZINC000307404218 352579815 /nfs/dbraw/zinc/57/98/15/352579815.db2.gz CBAOMJIFYQHHIM-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN N[C@@H](c1ccns1)c1sccc1F ZINC000307536006 352640311 /nfs/dbraw/zinc/64/03/11/352640311.db2.gz KNVYXJVMANSQKF-ZETCQYMHSA-N 0 0 214.290 2.392 10 0 BEAERN COc1c(N)ccc(F)c1C(F)(F)F ZINC000307539972 352644381 /nfs/dbraw/zinc/64/43/81/352644381.db2.gz ZWECBISOYCAZRN-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN Cc1c(F)cncc1I ZINC000307540957 352645188 /nfs/dbraw/zinc/64/51/88/352645188.db2.gz WWDFFDCBLBEPLB-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN C[C@H]1Sc2cc(F)c(F)cc2NC1=O ZINC000307542690 352645986 /nfs/dbraw/zinc/64/59/86/352645986.db2.gz ZPWWMZWCHYSNBJ-SCSAIBSYSA-N 0 0 215.224 2.398 10 0 BEAERN Fc1cccnc1-n1ccc(Br)n1 ZINC000218563089 352650061 /nfs/dbraw/zinc/65/00/61/352650061.db2.gz FUXSRKAELNZNLB-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN CC(C)(C)c1ccc(Cn2cnc(N)n2)cc1 ZINC000037730067 187769651 /nfs/dbraw/zinc/76/96/51/187769651.db2.gz PDNIXPCTBSBERF-UHFFFAOYSA-N 0 0 230.315 2.206 10 0 BEAERN CC1CCC([NH2+][C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000232436108 352665957 /nfs/dbraw/zinc/66/59/57/352665957.db2.gz RHOOYTCAXMSPEI-WFBLGPOFSA-N 0 0 211.305 2.018 10 0 BEAERN CCC1C(=O)C(=O)N[C@@H]1c1ccccc1 ZINC000196515138 187779044 /nfs/dbraw/zinc/77/90/44/187779044.db2.gz MJIPYHYOMWTTQE-SNVBAGLBSA-N 0 0 203.241 2.080 10 0 BEAERN Cc1ccsc1[C@@]1(C)CC[C@@H](CO)O1 ZINC000307481266 352620819 /nfs/dbraw/zinc/62/08/19/352620819.db2.gz PLSADXVCYXLAPO-GXSJLCMTSA-N 0 0 212.314 2.443 10 0 BEAERN CCNc1cccc(C(=O)N[C@H](C)C2CC2)n1 ZINC000051070723 187781470 /nfs/dbraw/zinc/78/14/70/187781470.db2.gz UMTZBPKTTNGPCT-SECBINFHSA-N 0 0 233.315 2.042 10 0 BEAERN CC(C)c1nc(-c2ccc(F)cc2)c(N)n1N ZINC000052839938 187781738 /nfs/dbraw/zinc/78/17/38/187781738.db2.gz FZTYKEASOYNRQY-UHFFFAOYSA-N 0 0 234.278 2.109 10 0 BEAERN CC(C)[S@](=O)Nc1cccc(Cl)n1 ZINC000307497928 352626071 /nfs/dbraw/zinc/62/60/71/352626071.db2.gz SIKKBJXSNBIHOW-ZDUSSCGKSA-N 0 0 218.709 2.219 10 0 BEAERN Cc1nn(C)cc1C(=O)[C@H]1CCC[C@H]1C ZINC000307499080 352627065 /nfs/dbraw/zinc/62/70/65/352627065.db2.gz KXWRTRLWUVITJV-SCZZXKLOSA-N 0 0 206.289 2.347 10 0 BEAERN CCc1ccc([C@@H](O)CN2C[C@H](C)CC2=O)cc1 ZINC000062817600 187784664 /nfs/dbraw/zinc/78/46/64/187784664.db2.gz LWGGVTGQEOFBRN-RISCZKNCSA-N 0 0 247.338 2.151 10 0 BEAERN Cc1nccc(CNc2cccc(N)c2C)n1 ZINC000062725204 187784927 /nfs/dbraw/zinc/78/49/27/187784927.db2.gz WALMSNHZLMNODM-UHFFFAOYSA-N 0 0 228.299 2.288 10 0 BEAERN CON(C)C[C@@H]1Cc2ccccc2S1 ZINC000307518462 352632787 /nfs/dbraw/zinc/63/27/87/352632787.db2.gz YLWQOKZIYHVRJL-JTQLQIEISA-N 0 0 209.314 2.197 10 0 BEAERN O=Cc1cncc(Cl)c1Br ZINC000307523660 352634305 /nfs/dbraw/zinc/63/43/05/352634305.db2.gz FGQISPPOEJYIGB-UHFFFAOYSA-N 0 0 220.453 2.310 10 0 BEAERN Brc1ncc(-c2ccoc2)cn1 ZINC000072192091 187788257 /nfs/dbraw/zinc/78/82/57/187788257.db2.gz ZVMMTKMJQJYKEM-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1nc2ncccc2s1 ZINC000089229279 187799734 /nfs/dbraw/zinc/79/97/34/187799734.db2.gz HGRCOOVYWVFSQV-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN CNc1ncc(Br)cc1OC1CC1 ZINC000095729009 187800209 /nfs/dbraw/zinc/80/02/09/187800209.db2.gz FTEHZRVOIKMCOD-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000103373180 187803766 /nfs/dbraw/zinc/80/37/66/187803766.db2.gz HKSYFDZVXRTUHI-UWVGGRQHSA-N 0 0 225.288 2.082 10 0 BEAERN CC(C)[C@H](c1nc(-c2cccnc2)no1)[C@H](C)O ZINC000104055689 187804279 /nfs/dbraw/zinc/80/42/79/187804279.db2.gz NNNXJVOCBZPJDQ-ONGXEEELSA-N 0 0 247.298 2.252 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1-c1ccoc1 ZINC000043375461 187805468 /nfs/dbraw/zinc/80/54/68/187805468.db2.gz UEMDXVJVLOEMIK-UHFFFAOYSA-N 0 0 205.261 2.450 10 0 BEAERN Cc1nnc(Sc2cccc(F)c2N)o1 ZINC000051037624 187809383 /nfs/dbraw/zinc/80/93/83/187809383.db2.gz WBFIGIGFDCGBOY-UHFFFAOYSA-N 0 0 225.248 2.251 10 0 BEAERN CC(C)[C@H](O)CC(=O)Nc1ccccc1F ZINC000153808169 187813090 /nfs/dbraw/zinc/81/30/90/187813090.db2.gz YSEUIZOSHDSDDH-LLVKDONJSA-N 0 0 225.263 2.171 10 0 BEAERN Brc1ncccc1NC1CC1 ZINC000232458678 352678536 /nfs/dbraw/zinc/67/85/36/352678536.db2.gz ROSILNGIVYZXFP-UHFFFAOYSA-N 0 0 213.078 2.418 10 0 BEAERN Clc1nnc(NCc2cscn2)s1 ZINC000307638123 352726594 /nfs/dbraw/zinc/72/65/94/352726594.db2.gz ZPAVKADBWUZIIO-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(C(N)=S)cn1 ZINC000020523605 187829500 /nfs/dbraw/zinc/82/95/00/187829500.db2.gz OLXCTYFFAYZSPC-QMMMGPOBSA-N 0 0 223.345 2.172 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC[C@@H](C)C2)n1 ZINC000334197675 352788906 /nfs/dbraw/zinc/78/89/06/352788906.db2.gz LNDZDOFRFMNIGJ-MRVPVSSYSA-N 0 0 223.295 2.469 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC[C@H](C)C2)n1 ZINC000334197679 352789798 /nfs/dbraw/zinc/78/97/98/352789798.db2.gz LNDZDOFRFMNIGJ-QMMMGPOBSA-N 0 0 223.295 2.469 10 0 BEAERN CN(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000334201058 352794105 /nfs/dbraw/zinc/79/41/05/352794105.db2.gz QWTBYBLPQBZEHK-UHFFFAOYSA-N 0 0 238.253 2.379 10 0 BEAERN Cc1nc(C(=O)[C@@H]2CCSC2)cs1 ZINC000307689594 352933573 /nfs/dbraw/zinc/93/35/73/352933573.db2.gz KFFGVEPTUUPAOS-SSDOTTSWSA-N 0 0 213.327 2.387 10 0 BEAERN Cc1nc(C(=O)[C@H]2CCSC2)cs1 ZINC000307689595 352933844 /nfs/dbraw/zinc/93/38/44/352933844.db2.gz KFFGVEPTUUPAOS-ZETCQYMHSA-N 0 0 213.327 2.387 10 0 BEAERN Cc1cc(N(C)CC(F)(F)F)nc(Cl)n1 ZINC000052814439 352983511 /nfs/dbraw/zinc/98/35/11/352983511.db2.gz FXMCPDFDYGOGSL-UHFFFAOYSA-N 0 0 239.628 2.437 10 0 BEAERN C[C@@H]1SCC[C@H]1NC1N=NC(=S)S1 ZINC000306179422 352988602 /nfs/dbraw/zinc/98/86/02/352988602.db2.gz GYIBDVVLBXIJNI-CRCLSJGQSA-N 0 0 233.387 2.133 10 0 BEAERN COC(=O)c1sccc1SC(=O)N(C)C ZINC000071781207 323940283 /nfs/dbraw/zinc/94/02/83/323940283.db2.gz FKIOSCMUMOQGQX-UHFFFAOYSA-N 0 0 245.325 2.308 10 0 BEAERN COc1cc(N)cc(COC2CCC2)c1 ZINC000088042336 323941031 /nfs/dbraw/zinc/94/10/31/323941031.db2.gz NTMDWCQLOYDCOA-UHFFFAOYSA-N 0 0 207.273 2.347 10 0 BEAERN c1nn(Cc2ccccc2)cc1[C@@H]1NCCS1 ZINC000306650299 353032138 /nfs/dbraw/zinc/03/21/38/353032138.db2.gz HICDCJBMLCPBTB-CYBMUJFWSA-N 0 0 245.351 2.266 10 0 BEAERN CCCOc1nc(N)nc2ccsc21 ZINC000306673062 353033459 /nfs/dbraw/zinc/03/34/59/353033459.db2.gz MUCMSSCEXSEXBW-UHFFFAOYSA-N 0 0 209.274 2.062 10 0 BEAERN CCC1(CC)C(=O)N[C@@H]1[C@@H]1CCSC1 ZINC000306214560 352995710 /nfs/dbraw/zinc/99/57/10/352995710.db2.gz ZANAKRDKSLYSGO-RKDXNWHRSA-N 0 0 213.346 2.044 10 0 BEAERN C[C@H]1CCSCCN1NC(C)(C)C ZINC000306295983 353002885 /nfs/dbraw/zinc/00/28/85/353002885.db2.gz WQLANOHEMNHLDU-VIFPVBQESA-N 0 0 202.367 2.117 10 0 BEAERN C/C=C/Cn1c2ccncc2[nH]c1=S ZINC000307247819 353063093 /nfs/dbraw/zinc/06/30/93/353063093.db2.gz MXPDWFXPKCBTAL-NSCUHMNNSA-N 0 0 205.286 2.296 10 0 BEAERN CC(C)Nc1ncc(CO)cc1Br ZINC000306781067 353037893 /nfs/dbraw/zinc/03/78/93/353037893.db2.gz FBIAFSUKVIQZRG-UHFFFAOYSA-N 0 0 245.120 2.157 10 0 BEAERN CON(C)Cc1coc(Br)c1 ZINC000306795023 353038353 /nfs/dbraw/zinc/03/83/53/353038353.db2.gz GFQFFPVOCZHASK-UHFFFAOYSA-N 0 0 220.066 2.035 10 0 BEAERN COc1ccc([C@@H](N)C(C)(F)F)s1 ZINC000307059042 353052231 /nfs/dbraw/zinc/05/22/31/353052231.db2.gz MLHLCQOMLBZQHS-SSDOTTSWSA-N 0 0 207.245 2.412 10 0 BEAERN C[C@@H](O)CNc1cc(F)cc(Br)c1 ZINC000307075926 353053295 /nfs/dbraw/zinc/05/32/95/353053295.db2.gz KSYGQYCRBCLOPQ-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN Cc1nc(Cl)cc(Sc2nncs2)n1 ZINC000052837755 353108935 /nfs/dbraw/zinc/10/89/35/353108935.db2.gz UPIBHIJSRZYYLU-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN Cc1nnc(Sc2cc(Cl)nc(C)n2)o1 ZINC000052837833 353109157 /nfs/dbraw/zinc/10/91/57/353109157.db2.gz HKRACCDJCBYBHJ-UHFFFAOYSA-N 0 0 242.691 2.281 10 0 BEAERN c1nc(-c2cnn3ccccc23)cs1 ZINC000307460965 353078353 /nfs/dbraw/zinc/07/83/53/353078353.db2.gz FNNSMBMSTAJVSR-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN Nc1cc(Cl)cnc1-c1cscn1 ZINC000307507198 353080163 /nfs/dbraw/zinc/08/01/63/353080163.db2.gz ZEBUTHDETLTDSK-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1cc(OC(F)(F)F)c(F)cc1O ZINC000307527132 353080435 /nfs/dbraw/zinc/08/04/35/353080435.db2.gz IZKAZCLXOIPHAI-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CSc1ncc(N)cc1C(F)(F)F ZINC000307639674 353089934 /nfs/dbraw/zinc/08/99/34/353089934.db2.gz CNEVXCZEORDIKZ-UHFFFAOYSA-N 0 0 208.208 2.405 10 0 BEAERN FC1(F)CC[C@@H](n2cnnc2Cl)C1 ZINC000307657461 353091153 /nfs/dbraw/zinc/09/11/53/353091153.db2.gz BLALHMIYQNIOEA-RXMQYKEDSA-N 0 0 207.611 2.292 10 0 BEAERN COc1cc(-c2nsc(Cl)n2)sn1 ZINC000307705949 353094835 /nfs/dbraw/zinc/09/48/35/353094835.db2.gz WPHQBPZNTKNMQK-UHFFFAOYSA-N 0 0 233.705 2.324 10 0 BEAERN CC1(C)OCC[C@H]1Nc1nsnc1Cl ZINC000307706758 353099427 /nfs/dbraw/zinc/09/94/27/353099427.db2.gz YFPGTWJSOWOKMM-RXMQYKEDSA-N 0 0 233.724 2.171 10 0 BEAERN COc1ncc([C@]2(O)C[C@@H](C)[C@H]2C)s1 ZINC000307739451 353121952 /nfs/dbraw/zinc/12/19/52/353121952.db2.gz YVVQOZSZONWUNN-XSSZXYGBSA-N 0 0 213.302 2.015 10 0 BEAERN Nc1ccn(Cc2sccc2Cl)n1 ZINC000307750056 353126251 /nfs/dbraw/zinc/12/62/51/353126251.db2.gz IPFMYTNBGLGCOP-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN Clc1nccc(S[C@H]2CCOC2)n1 ZINC000307751904 353128363 /nfs/dbraw/zinc/12/83/63/353128363.db2.gz PREZDGJPKZMJEA-LURJTMIESA-N 0 0 216.693 2.011 10 0 BEAERN O[C@H](Cc1cccs1)c1cccnc1 ZINC000052900222 353129724 /nfs/dbraw/zinc/12/97/24/353129724.db2.gz UAYLDUWGRBAJCR-LLVKDONJSA-N 0 0 205.282 2.419 10 0 BEAERN COCc1cc(Cl)n2nc(C)c(C)c2n1 ZINC000129453460 353130979 /nfs/dbraw/zinc/13/09/79/353130979.db2.gz BMRDKDONOQMWOC-UHFFFAOYSA-N 0 0 225.679 2.146 10 0 BEAERN Fc1cnc(Cl)nc1NC1CC=CC1 ZINC000229328711 353121270 /nfs/dbraw/zinc/12/12/70/353121270.db2.gz VKCAKWGWVOSWSD-UHFFFAOYSA-N 0 0 213.643 2.400 10 0 BEAERN CCc1nc2n(c1C(=O)OC(C)C)CCCC2 ZINC000536955499 323965675 /nfs/dbraw/zinc/96/56/75/323965675.db2.gz UJPGJFAYGSHACP-UHFFFAOYSA-N 0 0 236.315 2.347 10 0 BEAERN C[C@H]1OC(=O)C[C@@H]1Sc1ccccc1 ZINC000196531832 188086234 /nfs/dbraw/zinc/08/62/34/188086234.db2.gz CRFRWRWBBAVMGO-SCZZXKLOSA-N 0 0 208.282 2.483 10 0 BEAERN CC1(C)CCC(C[C@H](C[NH3+])C(=O)[O-])CC1 ZINC000308914032 538108885 /nfs/dbraw/zinc/10/88/85/538108885.db2.gz NHBDQNBNSXQTRO-SNVBAGLBSA-N 0 0 213.321 2.252 10 0 BEAERN CCOC(=O)c1cc(N)n(C(C)(C)C)c1 ZINC000143215980 353156101 /nfs/dbraw/zinc/15/61/01/353156101.db2.gz MYWVEOXSLYXBOV-UHFFFAOYSA-N 0 0 210.277 2.002 10 0 BEAERN O=c1[nH]c(-c2cccc(F)c2)nc2c1CCCC2 ZINC000042404109 188083697 /nfs/dbraw/zinc/08/36/97/188083697.db2.gz RIOHMNLIKUWBKY-UHFFFAOYSA-N 0 0 244.269 2.455 10 0 BEAERN COC(=O)CCC(=O)NC1CCC(C)(C)CC1 ZINC000128178227 188085526 /nfs/dbraw/zinc/08/55/26/188085526.db2.gz AUKRNQMULSFZOP-UHFFFAOYSA-N 0 0 241.331 2.025 10 0 BEAERN CC(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000147066881 538109392 /nfs/dbraw/zinc/10/93/92/538109392.db2.gz NAPCCAHFOLFWRQ-ZIAGYGMSSA-N 0 0 247.338 2.475 10 0 BEAERN O=c1oc2ccc(Br)cc2o1 ZINC000000396952 188099494 /nfs/dbraw/zinc/09/94/94/188099494.db2.gz UQWVVWRKDLHZCR-UHFFFAOYSA-N 0 0 215.002 2.149 10 0 BEAERN CC1(C)CCC(Cn2cc(N)nn2)CC1 ZINC000308956058 538109633 /nfs/dbraw/zinc/10/96/33/538109633.db2.gz ZGUZDZZLZCMYFW-UHFFFAOYSA-N 0 0 208.309 2.077 10 0 BEAERN C[C@@H]1CO[C@H](c2cc(F)ccc2F)C[NH2+]1 ZINC000036673462 188103576 /nfs/dbraw/zinc/10/35/76/188103576.db2.gz LQUOGVNESKSVEG-HQJQHLMTSA-N 0 0 213.227 2.014 10 0 BEAERN CC(C)(C)c1ccc(N2C[C@H](CO)CC2=O)cc1 ZINC000011893531 188105070 /nfs/dbraw/zinc/10/50/70/188105070.db2.gz JNAJKHICKLJMLV-LLVKDONJSA-N 0 0 247.338 2.329 10 0 BEAERN NC(=S)c1ccc(NC2CCCCC2)nc1 ZINC000019441702 188107633 /nfs/dbraw/zinc/10/76/33/188107633.db2.gz WXDYBLGFHIQVNT-UHFFFAOYSA-N 0 0 235.356 2.460 10 0 BEAERN NC(=S)c1cccc(NC(=O)C2CCC2)c1 ZINC000019474270 188108055 /nfs/dbraw/zinc/10/80/55/188108055.db2.gz PJVCATYDTXJEAI-UHFFFAOYSA-N 0 0 234.324 2.059 10 0 BEAERN CC(C)NC(=O)[C@H](C)Nc1c(F)cccc1F ZINC000020359491 188108644 /nfs/dbraw/zinc/10/86/44/188108644.db2.gz NUDLJTXQLRTWPM-QMMMGPOBSA-N 0 0 242.269 2.290 10 0 BEAERN Cc1ccc2c(c1)N1C(=O)CC[C@]1(C)N2 ZINC000028013758 188110528 /nfs/dbraw/zinc/11/05/28/188110528.db2.gz WGEVGPGMGLSOMI-GFCCVEGCSA-N 0 0 202.257 2.264 10 0 BEAERN CC(C)(C)Oc1cnc(Br)cn1 ZINC000035635808 188111439 /nfs/dbraw/zinc/11/14/39/188111439.db2.gz VQXSMBFFWDPCNI-UHFFFAOYSA-N 0 0 231.093 2.416 10 0 BEAERN CC(C)N(Cc1cccc(N)c1)C(=O)C1CC1 ZINC000035365519 188111696 /nfs/dbraw/zinc/11/16/96/188111696.db2.gz YJZSNMDAYUTTHU-UHFFFAOYSA-N 0 0 232.327 2.416 10 0 BEAERN CCN(CC)c1ccc(Br)nn1 ZINC000044118026 188122810 /nfs/dbraw/zinc/12/28/10/188122810.db2.gz OYRCNECJYOINBC-UHFFFAOYSA-N 0 0 230.109 2.085 10 0 BEAERN CC(=O)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000037790704 188114543 /nfs/dbraw/zinc/11/45/43/188114543.db2.gz OKYPTRNZFIGAPA-NSHDSACASA-N 0 0 233.311 2.021 10 0 BEAERN CC1(C)c2[nH]c3ccccc3c2C(=O)[C@@H]1O ZINC000073390188 188115133 /nfs/dbraw/zinc/11/51/33/188115133.db2.gz QLFDLIVQYIHVGJ-LBPRGKRZSA-N 0 0 215.252 2.003 10 0 in-vitro BEAERN CNc1nccn2c(-c3ccccc3)cnc12 ZINC000038392501 188116769 /nfs/dbraw/zinc/11/67/69/188116769.db2.gz ZEKHPSLCEFXFCW-UHFFFAOYSA-N 0 0 224.267 2.438 10 0 BEAERN CCOC(CC(=O)c1ccco1)OCC ZINC000121988457 538110315 /nfs/dbraw/zinc/11/03/15/538110315.db2.gz UEUMJMVKWVTYQP-UHFFFAOYSA-N 0 0 212.245 2.252 10 0 BEAERN CC[C@@H]1CCC(=O)[C@@H](C(OC)OC)C1 ZINC000121998659 538110328 /nfs/dbraw/zinc/11/03/28/538110328.db2.gz JSWCTMZUHHQGOO-BDAKNGLRSA-N 0 0 200.278 2.001 10 0 BEAERN CCOC(CC(=O)c1nccs1)OCC ZINC000122011597 538110464 /nfs/dbraw/zinc/11/04/64/538110464.db2.gz UIBSCYUTBZBJSQ-UHFFFAOYSA-N 0 0 229.301 2.115 10 0 BEAERN Cc1cc(N)n(Cc2ccc(F)cc2F)n1 ZINC000043664066 188123162 /nfs/dbraw/zinc/12/31/62/188123162.db2.gz DXMPCXFDOJSALY-UHFFFAOYSA-N 0 0 223.226 2.100 10 0 BEAERN CC(C)[C@H](C)n1ncc(Br)c1N ZINC000043666143 188122563 /nfs/dbraw/zinc/12/25/63/188122563.db2.gz AIUIONGYONLWTB-LURJTMIESA-N 0 0 232.125 2.445 10 0 BEAERN Cc1ccc(Br)c2c(C=O)n[nH]c21 ZINC000014985899 188105976 /nfs/dbraw/zinc/10/59/76/188105976.db2.gz JUURLZOFXNRLOT-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000013233769 188106118 /nfs/dbraw/zinc/10/61/18/188106118.db2.gz JLLLDVVHSNUMHE-UHFFFAOYSA-N 0 0 237.262 2.329 10 0 BEAERN CC(C)=CCC/C(C)=C/COC[C@@H](O)CO ZINC000013479523 188106164 /nfs/dbraw/zinc/10/61/64/188106164.db2.gz IQRUWPCHSJLQDA-WHGQRRHOSA-N 0 0 228.332 2.049 10 0 BEAERN Nc1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000050445476 188125959 /nfs/dbraw/zinc/12/59/59/188125959.db2.gz ARGBQYBMAQMBFL-UHFFFAOYSA-N 0 0 234.686 2.132 10 0 BEAERN CCCn1cnnc1-c1c(N)cccc1F ZINC000054497928 188127032 /nfs/dbraw/zinc/12/70/32/188127032.db2.gz FICUCLAWWZOGFH-UHFFFAOYSA-N 0 0 220.251 2.076 10 0 BEAERN CC(C)[C@H]([NH2+]CCc1ccc(F)cc1)C(=O)[O-] ZINC000057529786 188127589 /nfs/dbraw/zinc/12/75/89/188127589.db2.gz CNWBWRJKICPVLK-LBPRGKRZSA-N 0 0 239.290 2.067 10 0 BEAERN Brc1nccn1Cc1ccncc1 ZINC000057529153 188127656 /nfs/dbraw/zinc/12/76/56/188127656.db2.gz DHFYCWPYTOZOFT-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN CCC[NH2+][C@@H](CCOC1CCCCC1)C(=O)[O-] ZINC000062545841 188128757 /nfs/dbraw/zinc/12/87/57/188128757.db2.gz YNYHDVQCLMIPPV-LBPRGKRZSA-N 0 0 243.347 2.179 10 0 BEAERN Cc1cccc(CNc2ncnc(Cl)c2N)n1 ZINC000062364360 188128816 /nfs/dbraw/zinc/12/88/16/188128816.db2.gz PFOQJZVMRPONCO-UHFFFAOYSA-N 0 0 249.705 2.028 10 0 BEAERN COc1cc(OC)cc(-c2ccc(O)cn2)c1 ZINC000065355940 188129504 /nfs/dbraw/zinc/12/95/04/188129504.db2.gz QMEHAWFAGHADDY-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN Brc1ncc2sccn12 ZINC000075842552 188133246 /nfs/dbraw/zinc/13/32/46/188133246.db2.gz XTALNJGOOPXCHO-UHFFFAOYSA-N 0 0 203.064 2.158 10 0 BEAERN COc1ccc([C@@H](C(=O)[O-])[N@H+](C)CC2CC2)cc1 ZINC000077427153 188136265 /nfs/dbraw/zinc/13/62/65/188136265.db2.gz SKYGQMKZXBJAOD-ZDUSSCGKSA-N 0 0 249.310 2.163 10 0 BEAERN CC(=O)c1cnc(C(F)(F)F)nc1C ZINC000082380787 188138234 /nfs/dbraw/zinc/13/82/34/188138234.db2.gz CZMMURXWXCPBHD-UHFFFAOYSA-N 0 0 204.151 2.006 10 0 BEAERN CC(=O)c1ccc(O[C@H]2CCCCC2=O)cc1O ZINC000082311577 188138490 /nfs/dbraw/zinc/13/84/90/188138490.db2.gz IAEBHAAVXXYAAQ-AWEZNQCLSA-N 0 0 248.278 2.485 10 0 BEAERN CC(C)N(CCO)c1c(N)cccc1Cl ZINC000042478952 188151395 /nfs/dbraw/zinc/15/13/95/188151395.db2.gz XQBYAYJTJDNVBR-UHFFFAOYSA-N 0 0 228.723 2.129 10 0 BEAERN CC(=O)OCCc1c(C)nc(Cl)nc1Cl ZINC000049070759 188152763 /nfs/dbraw/zinc/15/27/63/188152763.db2.gz MYNYICKVYAHDJL-UHFFFAOYSA-N 0 0 249.097 2.197 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000112858828 188153859 /nfs/dbraw/zinc/15/38/59/188153859.db2.gz RZYJGZLDIZECSD-GXTWGEPZSA-N 0 0 248.370 2.450 10 0 BEAERN Cc1nnc(Sc2ccc(N)c(C)c2)o1 ZINC000051037606 188155037 /nfs/dbraw/zinc/15/50/37/188155037.db2.gz KEMBHQFWVNQGOR-UHFFFAOYSA-N 0 0 221.285 2.420 10 0 BEAERN Cc1cc(N)cnc1N(C)[C@H](C)C1CC1 ZINC000052812769 188158063 /nfs/dbraw/zinc/15/80/63/188158063.db2.gz QCBNNAWNOFSNEW-SECBINFHSA-N 0 0 205.305 2.207 10 0 BEAERN Cc1cc(N)cnc1N(C)[C@H](C)C(C)C ZINC000052812775 188158227 /nfs/dbraw/zinc/15/82/27/188158227.db2.gz FNGLUHXRQAFPAR-SNVBAGLBSA-N 0 0 207.321 2.453 10 0 BEAERN CSc1ccc(NC[C@H](O)C(C)(C)C)nn1 ZINC000301269252 188160081 /nfs/dbraw/zinc/16/00/81/188160081.db2.gz NAZWNVGCTJWCHT-QMMMGPOBSA-N 0 0 241.360 2.017 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172260105 188162495 /nfs/dbraw/zinc/16/24/95/188162495.db2.gz MNGRLTKEXLVIKI-NWDGAFQWSA-N 0 0 249.358 2.028 10 0 BEAERN CSc1ccc(OC2CC2)c(N(C)C)n1 ZINC000095732923 188147321 /nfs/dbraw/zinc/14/73/21/188147321.db2.gz JJGSHKSJMYRNOF-UHFFFAOYSA-N 0 0 224.329 2.411 10 0 BEAERN CC(=O)C(N=O)C(=O)Nc1ccccc1 ZINC000100235531 188149436 /nfs/dbraw/zinc/14/94/36/188149436.db2.gz HMVFHMLPFAZHEW-CLFYSBASSA-N 0 0 206.201 2.181 10 0 BEAERN CC(=O)C1c2ccccc2N(C)C1=S ZINC000100956172 188149989 /nfs/dbraw/zinc/14/99/89/188149989.db2.gz DPCFTAHMQKZTBS-JTQLQIEISA-N 0 0 205.282 2.136 10 0 BEAERN C=Cn1cc(CN2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000193759999 188175745 /nfs/dbraw/zinc/17/57/45/188175745.db2.gz ZHIKMPIWYVKHMD-KBPBESRZSA-N 0 0 247.342 2.127 10 0 BEAERN Cc1nc(N)n(-c2ccc(C)c(Cl)c2)n1 ZINC000054404516 188176979 /nfs/dbraw/zinc/17/69/79/188176979.db2.gz BMVGTXKXPMMDBF-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cc1nccn1-c1ccc(N)c(Cl)c1 ZINC000082656004 188177858 /nfs/dbraw/zinc/17/78/58/188177858.db2.gz HNNGGNOHXWUUKO-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CC(=O)C1(c2ccc3c(c2)OCO3)CC1 ZINC000062523028 188183994 /nfs/dbraw/zinc/18/39/94/188183994.db2.gz WLAXFBZAGLBNRK-UHFFFAOYSA-N 0 0 204.225 2.036 10 0 BEAERN CCc1ccc(O[C@@H](C)[C@@H](C)O)c(OC)c1 ZINC000230343408 188186643 /nfs/dbraw/zinc/18/66/43/188186643.db2.gz NCHFCHZOEUSZNG-ZJUUUORDSA-N 0 0 224.300 2.406 10 0 BEAERN FC1(F)COCCN(c2ncccc2Cl)C1 ZINC000288774703 180918315 /nfs/dbraw/zinc/91/83/15/180918315.db2.gz DBZUYWHEXQZAMF-UHFFFAOYSA-N 0 0 248.660 2.207 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)c(O)c1 ZINC000336593472 188230777 /nfs/dbraw/zinc/23/07/77/188230777.db2.gz SGZMQXJWBKFQIP-ZYHUDNBSSA-N 0 0 231.295 2.325 10 0 BEAERN C[C@@H]1CC(C[NH2+]Cc2cscn2)C[C@@H](C)O1 ZINC000282055815 188222985 /nfs/dbraw/zinc/22/29/85/188222985.db2.gz AZCYHSZIRQZYGD-NXEZZACHSA-N 0 0 240.372 2.436 10 0 BEAERN C[C@H]1COc2ccc(Cl)cc2NC1=O ZINC000062525467 188224038 /nfs/dbraw/zinc/22/40/38/188224038.db2.gz YCCGAUYLIMSTHF-LURJTMIESA-N 0 0 211.648 2.307 10 0 BEAERN c1cc2c(NCc3ccccc3)nccn2n1 ZINC000129089308 353309014 /nfs/dbraw/zinc/30/90/14/353309014.db2.gz LQNVDNFPFMMSCQ-UHFFFAOYSA-N 0 0 224.267 2.341 10 0 BEAERN O=C1OCc2ccc(Br)cc2O1 ZINC000216568346 538115656 /nfs/dbraw/zinc/11/56/56/538115656.db2.gz BNJROIULCRZXSD-UHFFFAOYSA-N 0 0 229.029 2.478 10 0 BEAERN Cc1cccnc1-n1ccc(Br)n1 ZINC000223201709 353353063 /nfs/dbraw/zinc/35/30/63/353353063.db2.gz MCOOMQWGWYRXLU-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)COC(C)(C)C ZINC000226516594 363219161 /nfs/dbraw/zinc/21/91/61/363219161.db2.gz PPHBVNPBBNZFQB-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN Fc1cc(OC[C@H]2CO2)ccc1Br ZINC000075880972 180954733 /nfs/dbraw/zinc/95/47/33/180954733.db2.gz ASSVNPJYYSBDGR-ZETCQYMHSA-N 0 0 247.063 2.366 10 0 BEAERN CC(C)n1cc(-c2nc(C=O)cs2)cn1 ZINC000232787041 353414099 /nfs/dbraw/zinc/41/40/99/353414099.db2.gz RNVFJANIHVBQBG-UHFFFAOYSA-N 0 0 221.285 2.400 10 0 BEAERN Fc1cc(OC[C@@H]2CO2)ccc1Br ZINC000075880971 180954374 /nfs/dbraw/zinc/95/43/74/180954374.db2.gz ASSVNPJYYSBDGR-SSDOTTSWSA-N 0 0 247.063 2.366 10 0 BEAERN CC(C)CCC1N=NC(=S)N1C1CC1 ZINC000228206947 538117762 /nfs/dbraw/zinc/11/77/62/538117762.db2.gz JSEQLKVBVKAIQD-UHFFFAOYSA-N 0 0 211.334 2.490 10 0 BEAERN CC[C@@]1(C2CCCC2)O[C@@]1(Cl)C(=O)OC ZINC000387629789 538117665 /nfs/dbraw/zinc/11/76/65/538117665.db2.gz DZYOSMXQMMEYBA-QWRGUYRKSA-N 0 0 232.707 2.464 10 0 BEAERN Cc1c[nH]c(=S)n1[C@@H]1CCSC1 ZINC000231374914 353591289 /nfs/dbraw/zinc/59/12/89/353591289.db2.gz MWGPNKFVTYJNQC-SSDOTTSWSA-N 0 0 200.332 2.158 10 0 BEAERN O=Cc1nccc2c(Br)c[nH]c21 ZINC000095920072 353596270 /nfs/dbraw/zinc/59/62/70/353596270.db2.gz XOJZWAFIKHPTOQ-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN C[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC[C@H]1C(C)C ZINC000252424105 363239263 /nfs/dbraw/zinc/23/92/63/363239263.db2.gz DZSABYUNKXUJLX-JBLDHEPKSA-N 0 0 213.321 2.121 10 0 BEAERN CC1(CNc2nc(Cl)ncc2F)CC1 ZINC000232822531 353634383 /nfs/dbraw/zinc/63/43/83/353634383.db2.gz WTRZFYANUYBYNK-UHFFFAOYSA-N 0 0 215.659 2.481 10 0 BEAERN COc1ccc(Cn2cccc2)cc1N ZINC000037905337 188463211 /nfs/dbraw/zinc/46/32/11/188463211.db2.gz IQEDRJDYKDIADK-UHFFFAOYSA-N 0 0 202.257 2.127 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nnnn1-c1ccccc1 ZINC000231663230 353641742 /nfs/dbraw/zinc/64/17/42/353641742.db2.gz KUKYZQDYBFYBHE-JQWIXIFHSA-N 0 0 243.314 2.263 10 0 BEAERN COCc1csc(-c2cncs2)n1 ZINC000231721036 353648199 /nfs/dbraw/zinc/64/81/99/353648199.db2.gz HLOCBWJKOTWGKU-UHFFFAOYSA-N 0 0 212.299 2.413 10 0 BEAERN Fc1cc(Br)c2c(c1)NCCO2 ZINC000039941565 188473450 /nfs/dbraw/zinc/47/34/50/188473450.db2.gz VPXLNVOXIWWZTC-UHFFFAOYSA-N 0 0 232.052 2.393 10 0 BEAERN C[C@@H]1COCC[C@@H]1c1nc(Cl)ns1 ZINC000300979531 363247309 /nfs/dbraw/zinc/24/73/09/363247309.db2.gz HZMYBLDZSVQISQ-RITPCOANSA-N 0 0 218.709 2.332 10 0 BEAERN Cc1cccc(NC(=O)c2ccc(F)c(N)c2)n1 ZINC000035056360 188466744 /nfs/dbraw/zinc/46/67/44/188466744.db2.gz MDLTUNPMNNCQPR-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1cc(Br)c(N)c(C=O)c1 ZINC000034586176 188466825 /nfs/dbraw/zinc/46/68/25/188466825.db2.gz YGTPLJBXIOJOPK-UHFFFAOYSA-N 0 0 214.062 2.152 10 0 BEAERN CC(C)[C@H](O)C(F)(F)C(=O)c1ccco1 ZINC000039055753 188471320 /nfs/dbraw/zinc/47/13/20/188471320.db2.gz NOONVIFYAGPTLM-QMMMGPOBSA-N 0 0 218.199 2.115 10 0 BEAERN C=Cc1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000072194422 188489500 /nfs/dbraw/zinc/48/95/00/188489500.db2.gz PAGUNWMOLOQVJA-UHFFFAOYSA-N 0 0 222.240 2.272 10 0 BEAERN Clc1ccc(CNc2cnns2)o1 ZINC000232290169 353706008 /nfs/dbraw/zinc/70/60/08/353706008.db2.gz VBNGFHGFSYSXMH-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(N)=S ZINC000044670712 188480700 /nfs/dbraw/zinc/48/07/00/188480700.db2.gz RQWMTNZGUIFXTR-QMMMGPOBSA-N 0 0 246.376 2.212 10 0 BEAERN Fc1cccc(NCc2cnccn2)c1F ZINC000054766590 181001671 /nfs/dbraw/zinc/00/16/71/181001671.db2.gz NRFBBTDEHDMIMJ-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Fc1cccc(N[C@@H]2C[C@@H]3OCCC[C@H]23)n1 ZINC000302604007 181001824 /nfs/dbraw/zinc/00/18/24/181001824.db2.gz ZHEXOJACFYWNNE-BBBLOLIVSA-N 0 0 222.263 2.200 10 0 BEAERN CC(C)(O)[C@@H](O)c1cc(F)ccc1Cl ZINC000232567014 353735386 /nfs/dbraw/zinc/73/53/86/353735386.db2.gz HPMMOSQGUDWSFS-VIFPVBQESA-N 0 0 218.655 2.283 10 0 BEAERN CCCCCNc1cc(C(N)=S)ccn1 ZINC000019516324 168721512 /nfs/dbraw/zinc/72/15/12/168721512.db2.gz BGELUMGSRYGHGJ-UHFFFAOYSA-N 0 0 223.345 2.318 10 0 BEAERN COc1ccccc1[C@H](O)Cc1ccncc1 ZINC000053134305 353749766 /nfs/dbraw/zinc/74/97/66/353749766.db2.gz PTLDFYKCCDVJJH-CYBMUJFWSA-N 0 0 229.279 2.366 10 0 BEAERN Cc1sccc1[C@@H](O)[C@@H](O)C(C)C ZINC000232761344 353769417 /nfs/dbraw/zinc/76/94/17/353769417.db2.gz TYOLQOWVHLWPJF-VHSXEESVSA-N 0 0 200.303 2.107 10 0 BEAERN CC(C)COC(=O)c1c(N)cccc1F ZINC000040750600 188499200 /nfs/dbraw/zinc/49/92/00/188499200.db2.gz HEYKCHJCOIETAX-UHFFFAOYSA-N 0 0 211.236 2.221 10 0 BEAERN Cc1cccc(CNC(=O)CCC(C)C)n1 ZINC000130495738 188513004 /nfs/dbraw/zinc/51/30/04/188513004.db2.gz OSIOBOYIRXRKRB-UHFFFAOYSA-N 0 0 220.316 2.442 10 0 BEAERN Fc1ccn2c(Br)cnc2c1 ZINC000089202074 181017522 /nfs/dbraw/zinc/01/75/22/181017522.db2.gz JIWHAZGZFYOGCD-UHFFFAOYSA-N 0 0 215.025 2.236 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1[C@@H]1C[C@@H]1C ZINC000043375655 188506498 /nfs/dbraw/zinc/50/64/98/188506498.db2.gz YGYDOBNKLYHJNJ-DTWKUNHWSA-N 0 0 207.321 2.324 10 0 BEAERN CC1(CNC2N=NC(=S)S2)CCC1 ZINC000232845930 353789477 /nfs/dbraw/zinc/78/94/77/353789477.db2.gz CRRRZHILAPPZIH-UHFFFAOYSA-N 0 0 215.347 2.429 10 0 BEAERN Fc1nc2[nH]cnc2c(OCc2ccccc2)n1 ZINC000013602299 181021487 /nfs/dbraw/zinc/02/14/87/181021487.db2.gz LBDUBRVDQRTAPK-UHFFFAOYSA-N 0 0 244.229 2.071 10 0 BEAERN CCCCCNc1ncccc1C(N)=S ZINC000019805622 168723537 /nfs/dbraw/zinc/72/35/37/168723537.db2.gz YMDGGSKVBUTDER-UHFFFAOYSA-N 0 0 223.345 2.318 10 0 BEAERN CC1(C)C[C@@H]1c1nnc(Br)o1 ZINC000232864415 353885974 /nfs/dbraw/zinc/88/59/74/353885974.db2.gz XSVIBJRFZLFZPH-SCSAIBSYSA-N 0 0 217.066 2.346 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)cc1O ZINC000334539047 353927096 /nfs/dbraw/zinc/92/70/96/353927096.db2.gz PYVWQDODEKITJN-NWDGAFQWSA-N 0 0 231.295 2.325 10 0 BEAERN CC1(NC(=O)c2cc(F)cnc2Cl)CC1 ZINC000232872059 353967195 /nfs/dbraw/zinc/96/71/95/353967195.db2.gz XULWHOZGVVBAQF-UHFFFAOYSA-N 0 0 228.654 2.156 10 0 BEAERN C[C@H]1CC=CC[C@@H]1C(=O)N1CC=CCC1 ZINC000033864744 188539205 /nfs/dbraw/zinc/53/92/05/188539205.db2.gz XOSMTRXKSZLBST-RYUDHWBXSA-N 0 0 205.301 2.377 10 0 BEAERN Cc1c(N)n[nH]c1[C@@H]1CCC(F)(F)C1 ZINC000301011318 363294127 /nfs/dbraw/zinc/29/41/27/363294127.db2.gz OGJAVKAAJUHBFW-ZCFIWIBFSA-N 0 0 201.220 2.203 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1COc2ccccc2C1 ZINC000248293870 188548311 /nfs/dbraw/zinc/54/83/11/188548311.db2.gz VPQVFLWWPVDMBD-WCQYABFASA-N 0 0 247.338 2.398 10 0 BEAERN O=C(C1CCCC1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334567327 354089837 /nfs/dbraw/zinc/08/98/37/354089837.db2.gz TWTAFIMXQOCGOZ-STQMWFEESA-N 0 0 249.354 2.204 10 0 BEAERN CCSCCN[C@H](C)c1ncc(C)o1 ZINC000230646656 363315717 /nfs/dbraw/zinc/31/57/17/363315717.db2.gz YMSIURWEHPIMFC-SECBINFHSA-N 0 0 214.334 2.387 10 0 BEAERN NC(=S)c1ccc2cccc(F)c2n1 ZINC000062569493 188582486 /nfs/dbraw/zinc/58/24/86/188582486.db2.gz UCXXFPVPWWXYHZ-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN CN(C)N[C@@H]1CCSc2ccccc21 ZINC000134178725 354163725 /nfs/dbraw/zinc/16/37/25/354163725.db2.gz IYTFQFSBBWAOBO-SNVBAGLBSA-N 0 0 208.330 2.290 10 0 BEAERN Cc1cn([C@@H]2CCOC[C@@H]2C)c(=S)[nH]1 ZINC000301028275 363340474 /nfs/dbraw/zinc/34/04/74/363340474.db2.gz QGRBIPVSMMYLAE-IONNQARKSA-N 0 0 212.318 2.078 10 0 BEAERN Cc1cnc([C@@H](C)NCc2cc[nH]c2)o1 ZINC000231529350 363344246 /nfs/dbraw/zinc/34/42/46/363344246.db2.gz UVVHPZNGUCBGES-SECBINFHSA-N 0 0 205.261 2.162 10 0 BEAERN C[C@H]1CN(C(=O)CC2CC(C)(C)C2)C[C@H](C)O1 ZINC000334597409 354232237 /nfs/dbraw/zinc/23/22/37/354232237.db2.gz RZKDOWMKBBQXTQ-QWRGUYRKSA-N 0 0 239.359 2.449 10 0 BEAERN Cc1cc(C)c(C(=O)N2[C@H](C)COC[C@H]2C)o1 ZINC000334641178 354397198 /nfs/dbraw/zinc/39/71/98/354397198.db2.gz MWBVNCONYRBNKI-NXEZZACHSA-N 0 0 237.299 2.146 10 0 BEAERN CC1(C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)CCC1 ZINC000334751020 354475906 /nfs/dbraw/zinc/47/59/06/354475906.db2.gz MLOZXTYQGXIGBL-NWDGAFQWSA-N 0 0 249.354 2.204 10 0 BEAERN c1ccc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)nc1 ZINC000334727545 354528003 /nfs/dbraw/zinc/52/80/03/354528003.db2.gz LINITZYMFMQAPF-NEPJUHHUSA-N 0 0 230.311 2.087 10 0 BEAERN Fc1cccnc1N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334730879 354531404 /nfs/dbraw/zinc/53/14/04/354531404.db2.gz OYORJUJQNIZUHK-CMPLNLGQSA-N 0 0 248.301 2.226 10 0 BEAERN O=C(N[C@@H]1CC12CCCC2)N1CC[C@H](F)C1 ZINC000334703256 354496536 /nfs/dbraw/zinc/49/65/36/354496536.db2.gz QGCUNRXQXJPDBZ-VHSXEESVSA-N 0 0 226.295 2.073 10 0 BEAERN C([C@@H]1CCC2(CCCCC2)O1)N1CCOCC1 ZINC000190929633 354565408 /nfs/dbraw/zinc/56/54/08/354565408.db2.gz MKRBJNFDWMFRFY-ZDUSSCGKSA-N 0 0 239.359 2.201 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CS[C@@H](C)C1 ZINC000334808881 354565751 /nfs/dbraw/zinc/56/57/51/354565751.db2.gz ZCHPRBOATPUSLE-VHSXEESVSA-N 0 0 237.372 2.328 10 0 BEAERN C[C@@H]1CC(CNC(=O)C(C)(C)C)C[C@@H](C)O1 ZINC000335934924 134012383 /nfs/dbraw/zinc/01/23/83/134012383.db2.gz IFRXGXXYVZGUCN-NXEZZACHSA-N 0 0 227.348 2.352 10 0 BEAERN C=COCCCNC(=O)NCc1ccccc1 ZINC000219001529 354606060 /nfs/dbraw/zinc/60/60/60/354606060.db2.gz WQBJSQLNGMNLLD-UHFFFAOYSA-N 0 0 234.299 2.036 10 0 BEAERN C[C@H]1CN(C(=O)C(C)(C)C2CC2)CCS1 ZINC000335083521 354616774 /nfs/dbraw/zinc/61/67/74/354616774.db2.gz FKAMVOJJDIUFOW-VIFPVBQESA-N 0 0 227.373 2.387 10 0 BEAERN Cn1c(Cl)cnc1[C@H](O)C(C)(C)C ZINC000301050106 363395611 /nfs/dbraw/zinc/39/56/11/363395611.db2.gz ZTZDWNOFGGMKQZ-ZETCQYMHSA-N 0 0 202.685 2.153 10 0 BEAERN CCCC(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000040437004 358491539 /nfs/dbraw/zinc/49/15/39/358491539.db2.gz XAROSBYKTKJUHL-UHFFFAOYSA-N 0 0 243.310 2.493 10 0 BEAERN Cc1csc(NC(=O)N2C[C@H]3CCC[C@H]32)n1 ZINC000335220046 355059416 /nfs/dbraw/zinc/05/94/16/355059416.db2.gz MYLWXVHJOGEPHS-RKDXNWHRSA-N 0 0 237.328 2.468 10 0 BEAERN Cc1csc(NC(=O)N2C[C@@H]3CCC[C@@H]32)n1 ZINC000335220045 355059558 /nfs/dbraw/zinc/05/95/58/355059558.db2.gz MYLWXVHJOGEPHS-IUCAKERBSA-N 0 0 237.328 2.468 10 0 BEAERN Cc1cccnc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000335221636 355061842 /nfs/dbraw/zinc/06/18/42/355061842.db2.gz UXMRKXTYTRKTPL-QWRGUYRKSA-N 0 0 231.299 2.406 10 0 BEAERN CSc1ccc(-c2cc(N)n(C)n2)cc1 ZINC000084011750 355221605 /nfs/dbraw/zinc/22/16/05/355221605.db2.gz UPOHCPYJIOSIMK-UHFFFAOYSA-N 0 0 219.313 2.391 10 0 BEAERN Cn1ccnc1-c1cccc(Br)n1 ZINC000084026055 355223696 /nfs/dbraw/zinc/22/36/96/355223696.db2.gz ROOHYDKLKOMESN-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCCSC1 ZINC000413167459 191360364 /nfs/dbraw/zinc/36/03/64/191360364.db2.gz HRRIEEOCIZEIMM-JTQLQIEISA-N 0 0 237.372 2.329 10 0 BEAERN CC(C)c1nccnc1NCC1(C)CC1 ZINC000413172834 191360753 /nfs/dbraw/zinc/36/07/53/191360753.db2.gz OJTFHNVYANITKB-UHFFFAOYSA-N 0 0 205.305 2.234 10 0 BEAERN CC(C)c1nccnc1NCc1cccc(O)c1 ZINC000413068132 191351637 /nfs/dbraw/zinc/35/16/37/191351637.db2.gz KQJMTZXHUPUZHU-UHFFFAOYSA-N 0 0 243.310 2.340 10 0 BEAERN CC(C)c1nccnc1NC[C@]1(C)CCCO1 ZINC000413188475 191362487 /nfs/dbraw/zinc/36/24/87/191362487.db2.gz UREDJONTSNOQFG-ZDUSSCGKSA-N 0 0 235.331 2.003 10 0 BEAERN CO[C@@H]1C[C@@H](Nc2nccnc2C(C)C)C1(C)C ZINC000413183705 191362608 /nfs/dbraw/zinc/36/26/08/191362608.db2.gz INXIJUHWDCNMMW-GHMZBOCLSA-N 0 0 249.358 2.247 10 0 BEAERN CCC[C@@H](CNc1nccnc1C(C)C)OC ZINC000413294883 191368563 /nfs/dbraw/zinc/36/85/63/191368563.db2.gz AUZDXGKEDGGWCX-NSHDSACASA-N 0 0 237.347 2.249 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CC12CCOCC2 ZINC000413313351 191371735 /nfs/dbraw/zinc/37/17/35/191371735.db2.gz HIVHRDUSXHVHNA-NSHDSACASA-N 0 0 247.342 2.003 10 0 BEAERN O[C@@H](c1ccc2c(c1)COC2)C(F)F ZINC000129622269 355363000 /nfs/dbraw/zinc/36/30/00/355363000.db2.gz PLSQLONZBFEGME-VIFPVBQESA-N 0 0 200.184 2.015 10 0 BEAERN COc1c(O)ccc(F)c1Br ZINC000215837994 355371553 /nfs/dbraw/zinc/37/15/53/355371553.db2.gz SCGWOBSEDAWHPL-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN C[C@H]1OCC(=O)[C@@H]1CC=C(Cl)Cl ZINC000405911225 355380691 /nfs/dbraw/zinc/38/06/91/355380691.db2.gz ZKXJNRDUUQWJKB-PHDIDXHHSA-N 0 0 209.072 2.300 10 0 BEAERN CC(F)(F)C(C)(C)c1n[nH]c(=S)[nH]1 ZINC000405911293 355380783 /nfs/dbraw/zinc/38/07/83/355380783.db2.gz GQRUTETVXIJUHF-UHFFFAOYSA-N 0 0 207.249 2.026 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC=C(F)C1 ZINC000383805129 355353165 /nfs/dbraw/zinc/35/31/65/355353165.db2.gz CRJJXAGQHYWZJM-ILWJIGKKSA-N 0 0 209.264 2.118 10 0 BEAERN Cc1cc(Br)c(F)c(N)c1N ZINC000160231811 355354729 /nfs/dbraw/zinc/35/47/29/355354729.db2.gz PUJZEGYMLHBKEC-UHFFFAOYSA-N 0 0 219.057 2.061 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCn2nccc21 ZINC000335795373 355451099 /nfs/dbraw/zinc/45/10/99/355451099.db2.gz QKUJINAQHQAVJL-MNOVXSKESA-N 0 0 233.315 2.056 10 0 BEAERN N=C(N)c1ncc(Cl)c(Cl)c1Cl ZINC000071186726 181197085 /nfs/dbraw/zinc/19/70/85/181197085.db2.gz SYOSWGKKUJZWOV-UHFFFAOYSA-N 0 0 224.478 2.326 10 0 BEAERN C[C@H]1Oc2cc(F)c(Cl)cc2C1=O ZINC000134373798 355589753 /nfs/dbraw/zinc/58/97/53/355589753.db2.gz QIXCQYWPKWRJNK-SCSAIBSYSA-N 0 0 200.596 2.443 10 0 BEAERN CCC(CC)CNC(=O)c1cc(C)nn1CC ZINC000134374437 355592399 /nfs/dbraw/zinc/59/23/99/355592399.db2.gz CWHLRBYWSYYNFG-UHFFFAOYSA-N 0 0 237.347 2.377 10 0 BEAERN Nc1ccc2[nH]c(SC3CC3)nc2c1 ZINC000166578930 355697198 /nfs/dbraw/zinc/69/71/98/355697198.db2.gz PXVYBRQUXUANFY-UHFFFAOYSA-N 0 0 205.286 2.400 10 0 BEAERN CC1CCC([C@H](O)c2cnsn2)CC1 ZINC000160271006 355774868 /nfs/dbraw/zinc/77/48/68/355774868.db2.gz MREZMMHOHLTPSH-KTOWXAHTSA-N 0 0 212.318 2.398 10 0 BEAERN OCc1c(Cl)cncc1C(F)(F)F ZINC000168401488 355771623 /nfs/dbraw/zinc/77/16/23/355771623.db2.gz WOXXTMPEJAHGBG-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN Nc1ccc(Br)cc1[C@H](O)C1CC1 ZINC000168537069 355885753 /nfs/dbraw/zinc/88/57/53/355885753.db2.gz WOHWELZMZLQOAE-SNVBAGLBSA-N 0 0 242.116 2.475 10 0 BEAERN CCOC[C@@H]1CCCN(C(=O)CCSC)C1 ZINC000113831201 355977737 /nfs/dbraw/zinc/97/77/37/355977737.db2.gz WDQPGEDJNGMVPA-LLVKDONJSA-N 0 0 245.388 2.015 10 0 BEAERN CC[C@@H](OC)c1noc([C@@H]2CCCOCC2)n1 ZINC000329665906 355990162 /nfs/dbraw/zinc/99/01/62/355990162.db2.gz KRYBAWSDCIYLMS-NXEZZACHSA-N 0 0 240.303 2.451 10 0 BEAERN CCC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(C)o1 ZINC000216490439 356064148 /nfs/dbraw/zinc/06/41/48/356064148.db2.gz FMSCYWCUYFHTCY-LLVKDONJSA-N 0 0 225.288 2.273 10 0 BEAERN NC(=O)Cc1ccc(NCC2CCCC2)cc1 ZINC000050271757 181247657 /nfs/dbraw/zinc/24/76/57/181247657.db2.gz ZNIHBIJBDXAXKV-UHFFFAOYSA-N 0 0 232.327 2.317 10 0 BEAERN NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151250858 181261609 /nfs/dbraw/zinc/26/16/09/181261609.db2.gz WBLIHMRWXUXLSA-NSHDSACASA-N 0 0 246.310 2.491 10 0 BEAERN Nc1ccsc1C(=O)NC1CCCC1 ZINC000040292309 356421939 /nfs/dbraw/zinc/42/19/39/356421939.db2.gz ITZVGHFFDTUPPI-UHFFFAOYSA-N 0 0 210.302 2.003 10 0 BEAERN N[C@@H]1CNc2ccc(Cl)cc2C1(F)F ZINC000137477193 356422104 /nfs/dbraw/zinc/42/21/04/356422104.db2.gz RVGXPJKIVKHUSN-MRVPVSSYSA-N 0 0 218.634 2.185 10 0 BEAERN CCCC(=O)[C@H]1Cc2ccccc2CN1 ZINC000167849466 356448955 /nfs/dbraw/zinc/44/89/55/356448955.db2.gz RTOHLNAPKTZAGC-GFCCVEGCSA-N 0 0 203.285 2.070 10 0 BEAERN CCOC(=O)c1c(F)ccnc1C(F)(F)F ZINC000396123769 356454278 /nfs/dbraw/zinc/45/42/78/356454278.db2.gz FKKNDCRKVHCIDC-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CCc1ccc(C#N)c(C(=O)OC)c1C ZINC000396164251 356463230 /nfs/dbraw/zinc/46/32/30/356463230.db2.gz RGUHTCRESQQAEI-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN COC(=O)C=C(C)Nc1ccc(C#N)cc1 ZINC000384191926 356472698 /nfs/dbraw/zinc/47/26/98/356472698.db2.gz RGFSXHWZYMUMPB-CLFYSBASSA-N 0 0 216.240 2.047 10 0 BEAERN NC(=S)Cc1ccc(Br)cc1F ZINC000035284959 356473965 /nfs/dbraw/zinc/47/39/65/356473965.db2.gz LGQMMHWVYAFPBS-UHFFFAOYSA-N 0 0 248.120 2.417 10 0 BEAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C)CC[C@@H]1C ZINC000179683928 366286065 /nfs/dbraw/zinc/28/60/65/366286065.db2.gz KQLQUULYXQSPJM-QWRGUYRKSA-N 0 0 248.374 2.170 10 0 BEAERN CCOC(=O)c1c(C)cccc1OCOC ZINC000090556422 363490584 /nfs/dbraw/zinc/49/05/84/363490584.db2.gz LEDJZPFPONMQTA-UHFFFAOYSA-N 0 0 224.256 2.154 10 0 BEAERN CCC(F)(F)CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000639678241 356594745 /nfs/dbraw/zinc/59/47/45/356594745.db2.gz XGKSABLJXJHANQ-HBNTYKKESA-N 0 0 233.302 2.125 10 0 BEAERN O=Cc1cncc(-c2ccc(CO)cc2)c1 ZINC000675057630 538480147 /nfs/dbraw/zinc/48/01/47/538480147.db2.gz GGNWQLJXHNQHHS-UHFFFAOYSA-N 0 0 213.236 2.053 10 0 BEAERN C[C@H]1C[C@H]([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000675059258 538484205 /nfs/dbraw/zinc/48/42/05/538484205.db2.gz FMVPZHCQTVWAQO-KSSYENDESA-N 0 0 239.359 2.369 10 0 BEAERN Cc1cccc([C@H]2CC[C@H](CO)OC2)c1 ZINC000675058472 538481268 /nfs/dbraw/zinc/48/12/68/538481268.db2.gz HRHHQCXCBPPWBA-QWHCGFSZSA-N 0 0 206.285 2.250 10 0 BEAERN OC[C@@H]1CC[C@@H](c2ccccc2F)CO1 ZINC000675058641 538482229 /nfs/dbraw/zinc/48/22/29/538482229.db2.gz QHCCPBVXCOUVTP-ZJUUUORDSA-N 0 0 210.248 2.081 10 0 BEAERN CC1CCC([C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059585 538484373 /nfs/dbraw/zinc/48/43/73/538484373.db2.gz JOBVBNRHYYENKK-MMVSWEMESA-N 0 0 225.332 2.266 10 0 BEAERN CC(C)CNOCCOc1ccccc1 ZINC000675055546 538475997 /nfs/dbraw/zinc/47/59/97/538475997.db2.gz VXVKRLGEXJHJDW-UHFFFAOYSA-N 0 0 209.289 2.243 10 0 BEAERN C[C@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000675059261 538484021 /nfs/dbraw/zinc/48/40/21/538484021.db2.gz FMVPZHCQTVWAQO-SJHCENCUSA-N 0 0 239.359 2.369 10 0 BEAERN C[C@H]1C[C@H]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000675059257 538484478 /nfs/dbraw/zinc/48/44/78/538484478.db2.gz FMVPZHCQTVWAQO-CKIKVBCHSA-N 0 0 239.359 2.369 10 0 BEAERN CCc1cnc(Br)c2cncnc12 ZINC000675063655 538489995 /nfs/dbraw/zinc/48/99/95/538489995.db2.gz JJYAKNKOJXZFNY-UHFFFAOYSA-N 0 0 238.088 2.350 10 0 BEAERN Cn1ncc(N)c1-c1cncc(C(F)F)c1 ZINC000675068499 538497134 /nfs/dbraw/zinc/49/71/34/538497134.db2.gz AZFSIJVUYXHAKI-UHFFFAOYSA-N 0 0 224.214 2.002 10 0 BEAERN Cc1cn2c(n1)[C@@H](CC(F)(F)F)NCCC2 ZINC000675068095 538495662 /nfs/dbraw/zinc/49/56/62/538495662.db2.gz MPIJNVKLSHGQOJ-MRVPVSSYSA-N 0 0 233.237 2.178 10 0 BEAERN CCCc1cn2c(n1)[C@H](C(F)(F)F)NCCC2 ZINC000675068072 538495814 /nfs/dbraw/zinc/49/58/14/538495814.db2.gz MLWHTZJCDXJMBJ-SECBINFHSA-N 0 0 247.264 2.432 10 0 BEAERN CNc1cccc(-c2cnn3cccnc23)c1 ZINC000675072903 538504178 /nfs/dbraw/zinc/50/41/78/538504178.db2.gz PGLPLGHXMRQYHZ-UHFFFAOYSA-N 0 0 224.267 2.438 10 0 BEAERN CC(C)c1nn(C)cc1[C@H]1CCC(=O)C1 ZINC000675068846 538497652 /nfs/dbraw/zinc/49/76/52/538497652.db2.gz DZVLUYIIOBIGCJ-VIFPVBQESA-N 0 0 206.289 2.380 10 0 BEAERN CCCCC[C@H]1[NH2+][C@@H](CC(=O)[O-])CS1 ZINC000675078218 538515308 /nfs/dbraw/zinc/51/53/08/538515308.db2.gz CEKSYUHAMKWVJI-IUCAKERBSA-N 0 0 217.334 2.073 10 0 BEAERN CCOc1c(Br)ccnc1F ZINC000675080956 538521337 /nfs/dbraw/zinc/52/13/37/538521337.db2.gz YKZXKPSCGMQYRT-UHFFFAOYSA-N 0 0 220.041 2.382 10 0 BEAERN CC(C)C(=O)[C@H]1Cc2ccc(F)cc2O1 ZINC000675081331 538521675 /nfs/dbraw/zinc/52/16/75/538521675.db2.gz RDTXXCVEORAMAO-LLVKDONJSA-N 0 0 208.232 2.354 10 0 BEAERN CC(C)C(=O)[C@@H]1Cc2cc(F)cc(F)c2O1 ZINC000675081286 538521720 /nfs/dbraw/zinc/52/17/20/538521720.db2.gz PLDJBRMQGRNEOJ-JTQLQIEISA-N 0 0 226.222 2.493 10 0 BEAERN CCCC(=O)[C@H]1Cc2ccc(F)cc2O1 ZINC000675081222 538522564 /nfs/dbraw/zinc/52/25/64/538522564.db2.gz MSZLVQHMTSSNKL-GFCCVEGCSA-N 0 0 208.232 2.498 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12C[C@H](C)CC[C@@H]2C ZINC000084324824 538532804 /nfs/dbraw/zinc/53/28/04/538532804.db2.gz XZNCUFBYQKZXCO-WDCWCFNPSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)CC[C@@H]1CNc2ccccc2C1 ZINC000084780368 538533613 /nfs/dbraw/zinc/53/36/13/538533613.db2.gz ISOSGXXXRXQYAK-JTQLQIEISA-N 0 0 219.284 2.224 10 0 BEAERN CCOC(=O)c1noc(-c2cscc2C)n1 ZINC000086816905 538559896 /nfs/dbraw/zinc/55/98/96/538559896.db2.gz GNQOOWDPNLDUMK-UHFFFAOYSA-N 0 0 238.268 2.283 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@@]12CC[C@@H](C)C2 ZINC000220855027 538547647 /nfs/dbraw/zinc/54/76/47/538547647.db2.gz XXGJCPZAQQQKHU-JLLWLGSASA-N 0 0 212.289 2.143 10 0 BEAERN Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000034961981 356703048 /nfs/dbraw/zinc/70/30/48/356703048.db2.gz GOGHYMATGSGROR-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN COC(=O)c1csc(-c2ccoc2C)n1 ZINC000160402792 356705257 /nfs/dbraw/zinc/70/52/57/356705257.db2.gz QDTYFOMMEMXQGZ-UHFFFAOYSA-N 0 0 223.253 2.498 10 0 BEAERN O=Cc1cc(-c2nnc(C3CC3)o2)cs1 ZINC000675082692 538524065 /nfs/dbraw/zinc/52/40/65/538524065.db2.gz XIWNZULWFAXTOQ-UHFFFAOYSA-N 0 0 220.253 2.488 10 0 BEAERN CCc1cc(Br)nc(C)n1 ZINC000084082110 538526845 /nfs/dbraw/zinc/52/68/45/538526845.db2.gz IGHDUMSIXOYOGW-UHFFFAOYSA-N 0 0 201.067 2.110 10 0 BEAERN COC(=O)c1ccc2oc(C(C)=O)cc2c1 ZINC000084250081 538529474 /nfs/dbraw/zinc/52/94/74/538529474.db2.gz SRPYVGHZFOSLGB-UHFFFAOYSA-N 0 0 218.208 2.422 10 0 BEAERN Nc1ccccc1-c1cnn(CCF)c1 ZINC000087775443 538569583 /nfs/dbraw/zinc/56/95/83/538569583.db2.gz DPBANQQHALFSLW-UHFFFAOYSA-N 0 0 205.236 2.102 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)COC2 ZINC000092166526 538595449 /nfs/dbraw/zinc/59/54/49/538595449.db2.gz JQCWCCHMDXOXIE-UFBFGSQYSA-N 0 0 232.283 2.247 10 0 BEAERN Nc1cccc2c1ccn2[C@H]1CCOC1 ZINC000224416239 538597493 /nfs/dbraw/zinc/59/74/93/538597493.db2.gz XDOYWSNBJXPGBC-VIFPVBQESA-N 0 0 202.257 2.185 10 0 BEAERN CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000324014692 356710937 /nfs/dbraw/zinc/71/09/37/356710937.db2.gz OROQWNYVAKANQH-WRWGMCAJSA-N 0 0 207.317 2.337 10 0 BEAERN CCO[S@](=O)c1ccc(Cl)cc1 ZINC000095752059 538609964 /nfs/dbraw/zinc/60/99/64/538609964.db2.gz ARAFKHFXHSVTEI-GFCCVEGCSA-N 0 0 204.678 2.399 10 0 BEAERN COC(CC(=O)c1cccc(F)c1)OC ZINC000096993501 538616498 /nfs/dbraw/zinc/61/64/98/538616498.db2.gz GLLAMZSRVBCZRQ-UHFFFAOYSA-N 0 0 212.220 2.017 10 0 BEAERN CCc1noc(C)c1NC(=O)N[C@H]1C[C@H]1C ZINC000155253259 538706895 /nfs/dbraw/zinc/70/68/95/538706895.db2.gz DPGHBQBADKMSSS-MUWHJKNJSA-N 0 0 223.276 2.075 10 0 BEAERN Cc1ccccc1[C@H]([NH3+])C(C)(C)C(=O)[O-] ZINC000214824990 356965013 /nfs/dbraw/zinc/96/50/13/356965013.db2.gz LJYBZBVYFDFBTC-JTQLQIEISA-N 0 0 207.273 2.106 10 0 BEAERN Cc1cccc([C@@H]([NH3+])C(C)(C)C(=O)[O-])c1 ZINC000214825365 356965652 /nfs/dbraw/zinc/96/56/52/356965652.db2.gz QANISQLXXCLSOM-SNVBAGLBSA-N 0 0 207.273 2.106 10 0 BEAERN Cc1cc(Br)cn2cc(C=O)nc12 ZINC000129824772 356979647 /nfs/dbraw/zinc/97/96/47/356979647.db2.gz WBFAJDXFKXAAFF-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN Cc1ccc(O[C@@H](C)C(N)=S)cc1F ZINC000226419264 356983906 /nfs/dbraw/zinc/98/39/06/356983906.db2.gz XBICVVNTSXFSGH-ZETCQYMHSA-N 0 0 213.277 2.188 10 0 BEAERN Oc1ccccc1-n1ccc(Br)n1 ZINC000217088133 356990906 /nfs/dbraw/zinc/99/09/06/356990906.db2.gz JBLNFYFHNUOHCV-UHFFFAOYSA-N 0 0 239.072 2.340 10 0 BEAERN c1ccc(CNNOCc2ccccc2)cc1 ZINC000223728657 357033008 /nfs/dbraw/zinc/03/30/08/357033008.db2.gz IHSQOEIRNGGVHP-UHFFFAOYSA-N 0 0 228.295 2.413 10 0 BEAERN Cc1ccc([C@]2(O)CCSC2)cc1F ZINC000223734834 357035194 /nfs/dbraw/zinc/03/51/94/357035194.db2.gz QWLZPCWEIVJJLN-NSHDSACASA-N 0 0 212.289 2.459 10 0 BEAERN Cc1ccc([C@@]2(O)CCSC2)cc1F ZINC000223734777 357035452 /nfs/dbraw/zinc/03/54/52/357035452.db2.gz QWLZPCWEIVJJLN-LLVKDONJSA-N 0 0 212.289 2.459 10 0 BEAERN CCCCNc1cc(Br)ncn1 ZINC000160533910 357042379 /nfs/dbraw/zinc/04/23/79/357042379.db2.gz YKQBMTDAWNXPRN-UHFFFAOYSA-N 0 0 230.109 2.451 10 0 BEAERN C[C@H](O)CCc1nc2cc(F)ccc2[nH]1 ZINC000026462107 357135742 /nfs/dbraw/zinc/13/57/42/357135742.db2.gz WTQPTKOSFPCKIH-ZETCQYMHSA-N 0 0 208.236 2.015 10 0 BEAERN O=Cc1cc(Sc2nccc(=O)[nH]2)cs1 ZINC000160628858 357141652 /nfs/dbraw/zinc/14/16/52/357141652.db2.gz NVGNNQNKSNXNOJ-UHFFFAOYSA-N 0 0 238.293 2.207 10 0 BEAERN Fc1ccc2c(c1)sc1nnc([S-])n21 ZINC000026443817 357121161 /nfs/dbraw/zinc/12/11/61/357121161.db2.gz VAOMMTWFLKKYKP-UHFFFAOYSA-N 0 0 225.273 2.372 10 0 BEAERN CCc1nc2ccc(Cl)cn2c1C=O ZINC000224013512 357208564 /nfs/dbraw/zinc/20/85/64/357208564.db2.gz PRVKQVKBHFTEAO-UHFFFAOYSA-N 0 0 208.648 2.363 10 0 BEAERN COc1ccc(Cl)c(C=O)c1OC ZINC000137665078 357229643 /nfs/dbraw/zinc/22/96/43/357229643.db2.gz DSUYRXXQDVYHQC-UHFFFAOYSA-N 0 0 200.621 2.170 10 0 BEAERN Cc1cc([C@H](NN)c2ccco2)cs1 ZINC000168826163 357246205 /nfs/dbraw/zinc/24/62/05/357246205.db2.gz BRPQISXJJXEFHL-JTQLQIEISA-N 0 0 208.286 2.202 10 0 BEAERN COC(=O)c1c(Cl)onc1C1CCC1 ZINC000259632197 538826309 /nfs/dbraw/zinc/82/63/09/538826309.db2.gz HSILQGOUOMDWPR-UHFFFAOYSA-N 0 0 215.636 2.382 10 0 BEAERN CCOC(=O)c1c(CC)noc1Cl ZINC000259908163 538833682 /nfs/dbraw/zinc/83/36/82/538833682.db2.gz YJIJNMIBZAODLP-UHFFFAOYSA-N 0 0 203.625 2.067 10 0 BEAERN Cc1cc(F)cc(N2CCC(=O)CC2)c1 ZINC000085731263 357390214 /nfs/dbraw/zinc/39/02/14/357390214.db2.gz IPVOQOHYMFLGHV-UHFFFAOYSA-N 0 0 207.248 2.303 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCNc3ccccc32)O1 ZINC000395164330 357416119 /nfs/dbraw/zinc/41/61/19/357416119.db2.gz OHYNKRGCONZOSX-ZWNOBZJWSA-N 0 0 246.310 2.013 10 0 BEAERN CC[C@H]1CCN(C(=O)CCCSC)C1 ZINC000131701009 325178786 /nfs/dbraw/zinc/17/87/86/325178786.db2.gz ZKASNMVRSPCXIW-JTQLQIEISA-N 0 0 215.362 2.388 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccc(CO)cc2)o1 ZINC000230647219 357544647 /nfs/dbraw/zinc/54/46/47/357544647.db2.gz ZGASUHFFLDZYNB-NSHDSACASA-N 0 0 246.310 2.326 10 0 BEAERN Cc1cnc([C@H](C)NCCOCC(C)C)o1 ZINC000231741738 357623405 /nfs/dbraw/zinc/62/34/05/357623405.db2.gz DYZVZMGADIGXFR-NSHDSACASA-N 0 0 226.320 2.306 10 0 BEAERN CCC(C)(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000158820641 538867648 /nfs/dbraw/zinc/86/76/48/538867648.db2.gz BIPWDFGHWKJPBF-WDEREUQCSA-N 0 0 227.348 2.496 10 0 BEAERN CCC[C@@H]1CN(C(=O)N[C@H](C)C(C)C)CCO1 ZINC000159184928 538875639 /nfs/dbraw/zinc/87/56/39/538875639.db2.gz RGZKTZBUXAJVBC-VXGBXAGGSA-N 0 0 242.363 2.241 10 0 BEAERN c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000189147523 357606675 /nfs/dbraw/zinc/60/66/75/357606675.db2.gz NCKSIESBZUQBSN-NWDGAFQWSA-N 0 0 246.358 2.425 10 0 BEAERN CC(C)C1(CNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000189167512 357607568 /nfs/dbraw/zinc/60/75/68/357607568.db2.gz MSHKRIBKQXKOOL-RYUDHWBXSA-N 0 0 239.359 2.354 10 0 BEAERN CC(C)C1(CNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000189167489 357607668 /nfs/dbraw/zinc/60/76/68/357607668.db2.gz MSHKRIBKQXKOOL-NEPJUHHUSA-N 0 0 239.359 2.354 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1ccnc(N(C)C)n1 ZINC000231663943 357618945 /nfs/dbraw/zinc/61/89/45/357618945.db2.gz JKAZSBKQGITOIZ-NXEZZACHSA-N 0 0 220.320 2.143 10 0 BEAERN O=C1C[C@H](c2cc(Br)cs2)CN1 ZINC000685939408 538886534 /nfs/dbraw/zinc/88/65/34/538886534.db2.gz USWZSKJTLCGTRW-YFKPBYRVSA-N 0 0 246.129 2.114 10 0 BEAERN CCOC(=O)[C@]12C[C@H]1CCN2Cc1ccccc1 ZINC000685945566 538886802 /nfs/dbraw/zinc/88/68/02/538886802.db2.gz YYGAAWJSHBOCKE-HIFRSBDPSA-N 0 0 245.322 2.214 10 0 BEAERN CC1(C(=O)N2CC[C@@H](CCO)C2)CCCCC1 ZINC000232238890 357649745 /nfs/dbraw/zinc/64/97/45/357649745.db2.gz QTLMXYMNKUWUOY-LBPRGKRZSA-N 0 0 239.359 2.188 10 0 BEAERN CC(C)CC(=O)NCC[C@H]1CCCC[C@H]1O ZINC000685946983 538888794 /nfs/dbraw/zinc/88/87/94/538888794.db2.gz HODRZSSORVAEFD-VXGBXAGGSA-N 0 0 227.348 2.090 10 0 BEAERN CCn1cc2ncc(Br)cc2n1 ZINC000685948581 538891092 /nfs/dbraw/zinc/89/10/92/538891092.db2.gz CEKXXZRJHYZFNR-UHFFFAOYSA-N 0 0 226.077 2.214 10 0 BEAERN CNC(=O)c1ccc(Cl)c2ccoc21 ZINC000685948550 538891194 /nfs/dbraw/zinc/89/11/94/538891194.db2.gz BHBGIJKAUJBUPP-UHFFFAOYSA-N 0 0 209.632 2.446 10 0 BEAERN CCOC[C@H](NC(=O)N[C@@H](C)C(C)C)C(C)C ZINC000189716791 357664273 /nfs/dbraw/zinc/66/42/73/357664273.db2.gz KZZLWKAYDHWKGT-RYUDHWBXSA-N 0 0 244.379 2.391 10 0 BEAERN CC1(C)CCC[C@H]([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])C1 ZINC000685949694 538892957 /nfs/dbraw/zinc/89/29/57/538892957.db2.gz AVANJWWITKURQU-DCAQKATOSA-N 0 0 225.332 2.123 10 0 BEAERN CCC(F)(F)c1n[nH]c(=S)n1CC(F)F ZINC000685949666 538893136 /nfs/dbraw/zinc/89/31/36/538893136.db2.gz GVPSSROSHJPFAG-UHFFFAOYSA-N 0 0 243.229 2.334 10 0 BEAERN CC(C)(C)C1N=NC(=S)N1CC(F)(F)F ZINC000685950119 538893298 /nfs/dbraw/zinc/89/32/98/538893298.db2.gz NPLPFXZCJZQUBB-UHFFFAOYSA-N 0 0 239.266 2.427 10 0 BEAERN S=C1N=NC(c2cnoc2)N1C1CCCC1 ZINC000685950155 538893364 /nfs/dbraw/zinc/89/33/64/538893364.db2.gz PHETUPFEHUZMHU-UHFFFAOYSA-N 0 0 236.300 2.337 10 0 BEAERN CCCCCC1N=NC(=S)N1CCOCC ZINC000685950028 538893420 /nfs/dbraw/zinc/89/34/20/538893420.db2.gz LUSIRMKMUIUMGY-UHFFFAOYSA-N 0 0 243.376 2.336 10 0 BEAERN CCn1c(C(F)(F)CC)n[nH]c1=S ZINC000685950282 538893599 /nfs/dbraw/zinc/89/35/99/538893599.db2.gz VRRFXLCMROOTLM-UHFFFAOYSA-N 0 0 207.249 2.089 10 0 BEAERN CCCCN1C(=S)N=NC1C(C)(C)OC ZINC000685950060 538893608 /nfs/dbraw/zinc/89/36/08/538893608.db2.gz MEVFNJKEQPPOSW-UHFFFAOYSA-N 0 0 229.349 2.248 10 0 BEAERN C[C@@H](COCc1ccccc1)Cn1cc(N)cn1 ZINC000685951037 538894320 /nfs/dbraw/zinc/89/43/20/538894320.db2.gz CLCHRGRSXMHXIH-GFCCVEGCSA-N 0 0 245.326 2.318 10 0 BEAERN COC(=O)[C@H]1COc2ccc(Cl)c(F)c21 ZINC000685951844 538895175 /nfs/dbraw/zinc/89/51/75/538895175.db2.gz IOHWQFDYCGONIN-YFKPBYRVSA-N 0 0 230.622 2.128 10 0 BEAERN COC(=O)[C@H]1Cc2cc(Cl)c(C)cc2O1 ZINC000685951679 538895281 /nfs/dbraw/zinc/89/52/81/538895281.db2.gz FIHWBIALIJUHQR-SNVBAGLBSA-N 0 0 226.659 2.125 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H](C)[C@H](C)CC ZINC000685952924 538895436 /nfs/dbraw/zinc/89/54/36/538895436.db2.gz HENYVYZDTCBJGH-HTQZYQBOSA-N 0 0 225.292 2.131 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000190296811 357699182 /nfs/dbraw/zinc/69/91/82/357699182.db2.gz BOCXACXCZGFZOF-YVECIDJPSA-N 0 0 239.359 2.306 10 0 BEAERN CCCN(CCC)C(=O)[C@H]1CCCO[C@H]1C ZINC000190304071 357700200 /nfs/dbraw/zinc/70/02/00/357700200.db2.gz VMMKKWZAQVFWQV-RYUDHWBXSA-N 0 0 227.348 2.450 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190862454 357727470 /nfs/dbraw/zinc/72/74/70/357727470.db2.gz DETLOAWWCGFOBJ-HBNTYKKESA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)N(C)C(=O)NCC1(O)CCCCCC1 ZINC000190768173 357731049 /nfs/dbraw/zinc/73/10/49/357731049.db2.gz QMPIEOBIDZBYIY-UHFFFAOYSA-N 0 0 242.363 2.122 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H]2CC[C@@H](C)O2)o1 ZINC000235317380 357865131 /nfs/dbraw/zinc/86/51/31/357865131.db2.gz KIDIVRBVKRXEKP-DVVUODLYSA-N 0 0 224.304 2.201 10 0 BEAERN CCn1ncnc1CN1CCC[C@@H]1c1ccco1 ZINC000193350462 357879528 /nfs/dbraw/zinc/87/95/28/357879528.db2.gz KOXQLCBGLBSFEK-LLVKDONJSA-N 0 0 246.314 2.228 10 0 BEAERN CCc1cc(Cl)nc(C[C@H]2CCOC2)n1 ZINC000168928573 358000505 /nfs/dbraw/zinc/00/05/05/358000505.db2.gz IAKZIEWWSVRRRP-MRVPVSSYSA-N 0 0 226.707 2.271 10 0 BEAERN CCCCC/C=C\C(F)(F)[C@H](O)CO ZINC000035575823 358003988 /nfs/dbraw/zinc/00/39/88/358003988.db2.gz OEAAJMDKDLUQLD-ATJFRQLMSA-N 0 0 208.248 2.111 10 0 BEAERN NC(=O)[C@H]1C[C@@H]1c1ccccc1Br ZINC000168997387 358007484 /nfs/dbraw/zinc/00/74/84/358007484.db2.gz JESQDZMMQLLXIU-SFYZADRCSA-N 0 0 240.100 2.038 10 0 BEAERN C[C@H](Cl)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000036134222 358012303 /nfs/dbraw/zinc/01/23/03/358012303.db2.gz ZUQFYZUJPUDSRU-GXSJLCMTSA-N 0 0 238.718 2.372 10 0 BEAERN OCCCCOc1ccc(F)cc1F ZINC000035650267 358013102 /nfs/dbraw/zinc/01/31/02/358013102.db2.gz FBHVILUSXYFVAJ-UHFFFAOYSA-N 0 0 202.200 2.116 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000103385188 358045733 /nfs/dbraw/zinc/04/57/33/358045733.db2.gz AGNHEYSORONOCQ-QMMMGPOBSA-N 0 0 243.253 2.210 10 0 BEAERN Cc1nc([C@H](C)NC(=O)c2ccccn2)cs1 ZINC000170497104 134254409 /nfs/dbraw/zinc/25/44/09/134254409.db2.gz DWAXLGAXISMCNV-QMMMGPOBSA-N 0 0 247.323 2.338 10 0 BEAERN Cc1cccc([C@H](NN)C(F)(F)F)c1 ZINC000169052437 358098535 /nfs/dbraw/zinc/09/85/35/358098535.db2.gz BCIIDRRIWJXNHH-QMMMGPOBSA-N 0 0 204.195 2.062 10 0 BEAERN ClN(Cl)C[C@H]1COc2ccccc2O1 ZINC000584610812 358106654 /nfs/dbraw/zinc/10/66/54/358106654.db2.gz SWWZNPSFAYEPCS-ZETCQYMHSA-N 0 0 234.082 2.436 10 0 BEAERN CC(C)N(C(=O)[C@H]1CC1(C)C)C1CCOCC1 ZINC000134148434 325346034 /nfs/dbraw/zinc/34/60/34/325346034.db2.gz RRAULEGBKWWAQF-GFCCVEGCSA-N 0 0 239.359 2.449 10 0 BEAERN CC(C)CCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000222208058 358158406 /nfs/dbraw/zinc/15/84/06/358158406.db2.gz BKHURYIDUWOGFH-UHFFFAOYSA-N 0 0 244.682 2.496 10 0 BEAERN CSCCCC(=O)N(C)Cc1cc(C)on1 ZINC000134583362 325365878 /nfs/dbraw/zinc/36/58/78/325365878.db2.gz YTBNHFQIKQWUSI-UHFFFAOYSA-N 0 0 242.344 2.085 10 0 BEAERN COc1ccccc1CCN(C)C(=O)[C@H]1C[C@H]1C ZINC000104456172 358231862 /nfs/dbraw/zinc/23/18/62/358231862.db2.gz DMHSAIHCBCZDRD-YPMHNXCESA-N 0 0 247.338 2.352 10 0 BEAERN COc1ccccc1CCN(C)C(=O)[C@@H]1C[C@@H]1C ZINC000104456181 358232084 /nfs/dbraw/zinc/23/20/84/358232084.db2.gz DMHSAIHCBCZDRD-WCQYABFASA-N 0 0 247.338 2.352 10 0 BEAERN CC(=O)CCCNC(=O)c1ccc(C)cc1 ZINC000224360890 358232584 /nfs/dbraw/zinc/23/25/84/358232584.db2.gz PVAXUOGOAOEAOA-UHFFFAOYSA-N 0 0 219.284 2.094 10 0 BEAERN CC(C)(C)C(=O)COc1ccc(CO)cc1 ZINC000040411098 358235736 /nfs/dbraw/zinc/23/57/36/358235736.db2.gz ILPGSWIFLYOXBD-UHFFFAOYSA-N 0 0 222.284 2.173 10 0 BEAERN Cc1csc(C2=NNC(=O)[C@H]3C=CC=C[C@H]23)c1 ZINC000584612852 358276246 /nfs/dbraw/zinc/27/62/46/358276246.db2.gz OLIQCIVIDJGJQZ-UWVGGRQHSA-N 0 0 244.319 2.249 10 0 BEAERN COc1ccc2c(c1OC)CC[C@@H](C)C2=O ZINC000584612809 358276491 /nfs/dbraw/zinc/27/64/91/358276491.db2.gz LAAZEDGBJJNQDX-MRVPVSSYSA-N 0 0 220.268 2.469 10 0 BEAERN CCCCOc1c(CCO)cccc1OC ZINC000584595086 358252774 /nfs/dbraw/zinc/25/27/74/358252774.db2.gz QCVXWCAYYQFABH-UHFFFAOYSA-N 0 0 224.300 2.409 10 0 BEAERN COC(=O)[C@@H]1CCC[C@](C(=O)OC)(C(C)C)C1 ZINC000584615257 358279860 /nfs/dbraw/zinc/27/98/60/358279860.db2.gz XBBPJCGIXSVFDS-ZWNOBZJWSA-N 0 0 242.315 2.165 10 0 BEAERN COC(=O)C[C@@H](C)c1cccc(N)c1C ZINC000584596289 358253814 /nfs/dbraw/zinc/25/38/14/358253814.db2.gz LXBSDLOCQLOKTR-MRVPVSSYSA-N 0 0 207.273 2.244 10 0 BEAERN NC(=O)[C@]1(Cc2ccccc2)Cc2ccccc21 ZINC000584599886 358256577 /nfs/dbraw/zinc/25/65/77/358256577.db2.gz VVTZYEXYORKQAV-MRXNPFEDSA-N 0 0 237.302 2.209 10 0 BEAERN CC(=O)Sc1ccc2nn(C)cc2c1 ZINC000584601606 358258894 /nfs/dbraw/zinc/25/88/94/358258894.db2.gz CGZWQKZXJMRSKP-UHFFFAOYSA-N 0 0 206.270 2.212 10 0 BEAERN CCO[C@H]1CN(c2ccc(C(C)=O)cc2)CCO1 ZINC000584603792 358262293 /nfs/dbraw/zinc/26/22/93/358262293.db2.gz NAWHGNIJCIFLET-CQSZACIVSA-N 0 0 249.310 2.088 10 0 BEAERN CC[C@@H](Cc1ccc(C)c(C)c1)NC=O ZINC000584604092 358263162 /nfs/dbraw/zinc/26/31/62/358263162.db2.gz MHAOHXVDWGZYEY-ZDUSSCGKSA-N 0 0 205.301 2.371 10 0 BEAERN Cc1ccc(-c2cn3cncc3c(=O)[nH]2)cc1 ZINC000584605934 358265523 /nfs/dbraw/zinc/26/55/23/358265523.db2.gz RAGHDYCWTXGQPM-UHFFFAOYSA-N 0 0 225.251 2.410 10 0 BEAERN CCN1COc2cc3c(cc2C1)CCC3 ZINC000584605931 358265605 /nfs/dbraw/zinc/26/56/05/358265605.db2.gz QSYFAYALHLUDSL-UHFFFAOYSA-N 0 0 203.285 2.347 10 0 BEAERN COC(=O)/C(Cl)=C/c1cccc(OC)c1 ZINC000584606790 358266544 /nfs/dbraw/zinc/26/65/44/358266544.db2.gz RBJASNSADBPZKN-YFHOEESVSA-N 0 0 226.659 2.448 10 0 BEAERN CC[C@H]1O[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000584608139 358268460 /nfs/dbraw/zinc/26/84/60/358268460.db2.gz XEFGVQRQZSIQMH-NXEZZACHSA-N 0 0 225.675 2.456 10 0 BEAERN CO[N-][N+](=O)C=Cc1ccc(Cl)cc1 ZINC000584609606 358271192 /nfs/dbraw/zinc/27/11/92/358271192.db2.gz RHDFPPRYCRZYQI-VOTSOKGWSA-N 0 0 213.644 2.156 10 0 BEAERN COC(=O)c1ccc(/C=C/OC(C)=O)cc1 ZINC000584610119 358272579 /nfs/dbraw/zinc/27/25/79/358272579.db2.gz JKDNOWGSYFQFPH-BQYQJAHWSA-N 0 0 220.224 2.007 10 0 BEAERN CNc1cccc(F)c1/C=C/C(=O)OC ZINC000584610148 358272621 /nfs/dbraw/zinc/27/26/21/358272621.db2.gz MHBYQZRTTRDRIC-VOTSOKGWSA-N 0 0 209.220 2.054 10 0 BEAERN COC(=O)C(F)(F)/C=C/c1cccc(C=O)c1 ZINC000584610249 358273123 /nfs/dbraw/zinc/27/31/23/358273123.db2.gz SQVCKKVNVBZGSE-AATRIKPKSA-N 0 0 240.205 2.321 10 0 BEAERN COC(=O)/C(=C\c1ccc(Cl)cc1)N(C)C ZINC000584610385 358273263 /nfs/dbraw/zinc/27/32/63/358273263.db2.gz KKYUMPIPCJRWFO-DHZHZOJOSA-N 0 0 239.702 2.416 10 0 BEAERN CC(=O)CC(=O)N(C)c1ccc(C)cc1 ZINC000584611252 358274898 /nfs/dbraw/zinc/27/48/98/358274898.db2.gz UJBSHBQVHAJDSS-NTMALXAHSA-N 0 0 205.257 2.420 10 0 BEAERN OCc1nccc2c1CC[C@@H](CC1CC1)C2 ZINC000584619855 358286220 /nfs/dbraw/zinc/28/62/20/358286220.db2.gz HNJJGXUZFPMMOO-NSHDSACASA-N 0 0 217.312 2.479 10 0 BEAERN Cc1c(CO)c(CO)c(-c2ccc(C)cc2)n1C ZINC000584620208 358286899 /nfs/dbraw/zinc/28/68/99/358286899.db2.gz WKCQUSSMMSDJIB-UHFFFAOYSA-N 0 0 245.322 2.294 10 0 BEAERN CCOC(=O)C[C@]1(C)OC(=O)[C@H]2CCCC[C@H]21 ZINC000584619929 358286951 /nfs/dbraw/zinc/28/69/51/358286951.db2.gz IHSYFWPFMWNZED-CWSCBRNRSA-N 0 0 240.299 2.062 10 0 BEAERN C[C@H](O)COc1ccc(C=O)c2ccccc12 ZINC000584620582 358287412 /nfs/dbraw/zinc/28/74/12/358287412.db2.gz KYSIKNAHBLJNGD-JTQLQIEISA-N 0 0 230.263 2.412 10 0 BEAERN CCCc1cc(C(=O)N2CCCC2)c(=O)[nH]c1C ZINC000584621678 358289358 /nfs/dbraw/zinc/28/93/58/358289358.db2.gz BOEIAAGBDGLELK-UHFFFAOYSA-N 0 0 248.326 2.284 10 0 BEAERN O=C1C[C@H]([C@H]2CCOC2)c2ccccc2N1 ZINC000584621621 358289374 /nfs/dbraw/zinc/28/93/74/358289374.db2.gz AAAJPACZOCJWEX-GXSJLCMTSA-N 0 0 217.268 2.149 10 0 BEAERN COc1cccc(N[C@H]2CCCC2=O)c1 ZINC000584621906 358290143 /nfs/dbraw/zinc/29/01/43/358290143.db2.gz VHXNYYFRUVFAPP-NSHDSACASA-N 0 0 205.257 2.229 10 0 BEAERN CC1(c2ccc(C(=O)N3CCCC3)c(=O)[nH]2)CC1 ZINC000584622181 358290148 /nfs/dbraw/zinc/29/01/48/358290148.db2.gz ZJFFJTBMUJEUCM-UHFFFAOYSA-N 0 0 246.310 2.075 10 0 BEAERN CCCc1[nH]c(=O)c(C(=O)N2CCCC2)cc1C ZINC000584622078 358290221 /nfs/dbraw/zinc/29/02/21/358290221.db2.gz OQQZRLIHAYMNJJ-UHFFFAOYSA-N 0 0 248.326 2.284 10 0 BEAERN CCOc1nc2c(cccc2-c2nc(C)no2)[nH]1 ZINC000584625124 358293490 /nfs/dbraw/zinc/29/34/90/358293490.db2.gz CHORTVMKPRGWOW-UHFFFAOYSA-N 0 0 244.254 2.320 10 0 BEAERN CN(C)c1nc(/C=C/[C@@H]2CCOC2)cs1 ZINC000584625342 358294119 /nfs/dbraw/zinc/29/41/19/358294119.db2.gz RVEZRDRFGCNURJ-CDAZIORVSA-N 0 0 224.329 2.259 10 0 BEAERN C[C@H]1CC[C@@H](C2CCCCC2)S(=O)(=O)N1 ZINC000584625626 358294795 /nfs/dbraw/zinc/29/47/95/358294795.db2.gz VRQREEQCMHWGKT-ONGXEEELSA-N 0 0 231.361 2.037 10 0 BEAERN C[C@@]1(c2ccccc2)Cn2ccnc2O1 ZINC000584625929 358295309 /nfs/dbraw/zinc/29/53/09/358295309.db2.gz JHONSHMYKHMPQU-LBPRGKRZSA-N 0 0 200.241 2.191 10 0 BEAERN C[Si](C)(C)COC[C@@H]1CCC(=O)C1 ZINC000584630065 358299501 /nfs/dbraw/zinc/29/95/01/358299501.db2.gz HDWTYMTWDXXVIS-SECBINFHSA-N 0 0 200.354 2.250 10 0 BEAERN CC(C)(c1ccccc1)C1=NOCCO1 ZINC000584630546 358300034 /nfs/dbraw/zinc/30/00/34/358300034.db2.gz SBRVMVVDYXYTMN-UHFFFAOYSA-N 0 0 205.257 2.325 10 0 BEAERN CCOC(OCC)[C@H](F)C(F)(F)F ZINC000584630732 358301326 /nfs/dbraw/zinc/30/13/26/358301326.db2.gz SKDQOWMQALDOBR-YFKPBYRVSA-N 0 0 204.163 2.286 10 0 BEAERN COCc1ncc(Br)cc1C ZINC000584648365 358302933 /nfs/dbraw/zinc/30/29/33/358302933.db2.gz GWJZCNDUZYLWOR-UHFFFAOYSA-N 0 0 216.078 2.299 10 0 BEAERN CNC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000172504904 134267600 /nfs/dbraw/zinc/26/76/00/134267600.db2.gz NFGDHRVHCDZQSG-ZYHUDNBSSA-N 0 0 248.326 2.212 10 0 BEAERN CC(C)OC(=O)C1SCSCS1 ZINC000584656808 358308401 /nfs/dbraw/zinc/30/84/01/358308401.db2.gz DNFZYZHYUHIHCL-UHFFFAOYSA-N 0 0 224.372 2.392 10 0 BEAERN CNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000172504897 134267637 /nfs/dbraw/zinc/26/76/37/134267637.db2.gz NFGDHRVHCDZQSG-PWSUYJOCSA-N 0 0 248.326 2.212 10 0 BEAERN COCCOCSc1ccccc1OC ZINC000584657188 358308930 /nfs/dbraw/zinc/30/89/30/358308930.db2.gz ICQWFDONQWFJGQ-UHFFFAOYSA-N 0 0 228.313 2.408 10 0 BEAERN O=C1CC[C@@]2(CCCC2=O)N1Cc1ccccc1 ZINC000584616729 358281515 /nfs/dbraw/zinc/28/15/15/358281515.db2.gz VPDRNQICHUMKQB-OAHLLOKOSA-N 0 0 243.306 2.301 10 0 BEAERN O=C1C[C@@H](CO)c2ccc(Br)cc21 ZINC000584618005 358283545 /nfs/dbraw/zinc/28/35/45/358283545.db2.gz DUFZCKFRSXQHAV-LURJTMIESA-N 0 0 241.084 2.111 10 0 BEAERN COC(=O)C[C@@]1(C)CC(=O)c2ccc(OC)cc21 ZINC000584618181 358284119 /nfs/dbraw/zinc/28/41/19/358284119.db2.gz HBNZYNJOHKRRCU-CQSZACIVSA-N 0 0 248.278 2.102 10 0 BEAERN CCOC(=O)[C@@H](C)Oc1cccc(OC)c1C ZINC000584643685 358328328 /nfs/dbraw/zinc/32/83/28/358328328.db2.gz VGEIDUQCLVXPLJ-SNVBAGLBSA-N 0 0 238.283 2.334 10 0 BEAERN Nc1cc(Cl)c(N2CCC(F)CC2)cc1N ZINC000584644090 358329499 /nfs/dbraw/zinc/32/94/99/358329499.db2.gz OCLKMVSCNSNABV-UHFFFAOYSA-N 0 0 243.713 2.443 10 0 BEAERN COCCC1CCN(c2ncc(N)cc2C)CC1 ZINC000584645530 358330802 /nfs/dbraw/zinc/33/08/02/358330802.db2.gz WWZFNEVDNIAZIW-UHFFFAOYSA-N 0 0 249.358 2.225 10 0 BEAERN COC(=O)Nc1c(O)ccc(Cl)c1F ZINC000584646273 358331210 /nfs/dbraw/zinc/33/12/10/358331210.db2.gz MOAVRKBNNGPWQI-UHFFFAOYSA-N 0 0 219.599 2.363 10 0 BEAERN c1ccc(OC[C@H]2OCN3CCCC[C@H]23)cc1 ZINC000584632408 358315397 /nfs/dbraw/zinc/31/53/97/358315397.db2.gz FQHZTDWRPXUXBV-ZIAGYGMSSA-N 0 0 233.311 2.276 10 0 BEAERN CC(C)[C@](C)(O)C(=O)Cc1cccs1 ZINC000584632546 358315568 /nfs/dbraw/zinc/31/55/68/358315568.db2.gz JLYPKKOLJRZWFN-NSHDSACASA-N 0 0 212.314 2.267 10 0 BEAERN CC(C)(COCC(F)F)c1ncc(N)cc1F ZINC000584633483 358316884 /nfs/dbraw/zinc/31/68/84/358316884.db2.gz MREDUNHRNYFXSO-UHFFFAOYSA-N 0 0 248.248 2.362 10 0 BEAERN C=C(C(=O)OCC)c1ccc(Cl)nc1OC ZINC000584633533 358317004 /nfs/dbraw/zinc/31/70/04/358317004.db2.gz PNTYJXHZNLJPNJ-UHFFFAOYSA-N 0 0 241.674 2.320 10 0 BEAERN COc1cnc(OC)c(N)c1Cc1ccccc1 ZINC000584633564 358317692 /nfs/dbraw/zinc/31/76/92/358317692.db2.gz SOURTKYHYGYEEG-UHFFFAOYSA-N 0 0 244.294 2.272 10 0 BEAERN Nc1ccc2c(c1)C(=O)N[C@@H](c1ccccc1)N2 ZINC000584635181 358319432 /nfs/dbraw/zinc/31/94/32/358319432.db2.gz YBJRCDZPZZAXNJ-ZDUSSCGKSA-N 0 0 239.278 2.123 10 0 BEAERN OCCCCCc1cn2ccccc2n1 ZINC000584636530 358321117 /nfs/dbraw/zinc/32/11/17/358321117.db2.gz BZHOSUOBJXOJAU-UHFFFAOYSA-N 0 0 204.273 2.039 10 0 BEAERN CCOC(=O)c1nccc2c1C[C@H](CC)C2 ZINC000584638046 358323451 /nfs/dbraw/zinc/32/34/51/358323451.db2.gz IVFOPQXCIHVDBM-SECBINFHSA-N 0 0 219.284 2.383 10 0 BEAERN Cc1c(-c2ccncc2)sc2ncnn12 ZINC000584639779 358325474 /nfs/dbraw/zinc/32/54/74/358325474.db2.gz OHODLJYUJRRSRV-UHFFFAOYSA-N 0 0 216.269 2.161 10 0 BEAERN O=C([O-])[C@@H]1CC2(CC[NH2+]CC2)[C@@H]2CCCC[C@H]12 ZINC000584643031 358327953 /nfs/dbraw/zinc/32/79/53/358327953.db2.gz FXDXIKJJOMGLTP-IJLUTSLNSA-N 0 0 237.343 2.267 10 0 BEAERN NC(=O)c1ccc(N)c(Nc2cccc(F)c2)c1 ZINC000103966919 181297227 /nfs/dbraw/zinc/29/72/27/181297227.db2.gz JMDLECLATARMAB-UHFFFAOYSA-N 0 0 245.257 2.250 10 0 BEAERN CCC[C@@H](O)C(F)(F)Br ZINC000225649209 358428259 /nfs/dbraw/zinc/42/82/59/358428259.db2.gz VHGVTGYIJJHKLX-SCSAIBSYSA-N 0 0 203.026 2.135 10 0 BEAERN CN(C[C@@H]1CCCC1=O)c1ccccc1 ZINC000053925106 358580748 /nfs/dbraw/zinc/58/07/48/358580748.db2.gz HVMKOJGOOFNXFH-NSHDSACASA-N 0 0 203.285 2.492 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)N(C)C)cc1F ZINC000130110534 358609937 /nfs/dbraw/zinc/60/99/37/358609937.db2.gz OMJSCEGFHCPGMJ-SECBINFHSA-N 0 0 224.279 2.466 10 0 BEAERN CC(=O)c1ccc(OCc2ccn(C)n2)cc1 ZINC000130351234 358620498 /nfs/dbraw/zinc/62/04/98/358620498.db2.gz HTDSCLQTCUQOKA-UHFFFAOYSA-N 0 0 230.267 2.202 10 0 BEAERN CC[C@@H](c1cccs1)N1CCNC1=O ZINC000169087287 358633362 /nfs/dbraw/zinc/63/33/62/358633362.db2.gz KDBNCFXXARVELU-QMMMGPOBSA-N 0 0 210.302 2.224 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000130898033 358651413 /nfs/dbraw/zinc/65/14/13/358651413.db2.gz GMDXMKITYKIQLY-SRVKXCTJSA-N 0 0 227.348 2.232 10 0 BEAERN O=C(NC[C@@H]1CC=CCC1)Nc1nncs1 ZINC000049283632 358679471 /nfs/dbraw/zinc/67/94/71/358679471.db2.gz JCXXDJRELKHDLA-MRVPVSSYSA-N 0 0 238.316 2.016 10 0 BEAERN CNC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000049370249 358684515 /nfs/dbraw/zinc/68/45/15/358684515.db2.gz KLVKISFYNHISJG-LBPRGKRZSA-N 0 0 236.290 2.172 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC2(CCCC2)C1 ZINC000176343771 134291111 /nfs/dbraw/zinc/29/11/11/134291111.db2.gz XJTKYJWCLHUHGJ-MNOVXSKESA-N 0 0 222.332 2.371 10 0 BEAERN CCCC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000133473633 358756307 /nfs/dbraw/zinc/75/63/07/358756307.db2.gz YFSWOSNKLZWVAW-LBPRGKRZSA-N 0 0 237.299 2.288 10 0 BEAERN OC[C@H](NO)c1ccc(Cl)cc1Cl ZINC000306149006 358758538 /nfs/dbraw/zinc/75/85/38/358758538.db2.gz DHLUDJPIZZPCPF-QMMMGPOBSA-N 0 0 222.071 2.006 10 0 BEAERN CSCCCCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000133548553 358758657 /nfs/dbraw/zinc/75/86/57/358758657.db2.gz JMILSYZFHVOAKX-GHMZBOCLSA-N 0 0 245.388 2.203 10 0 BEAERN COc1cc(C)nc(CNCc2ccco2)c1 ZINC000214115555 358759641 /nfs/dbraw/zinc/75/96/41/358759641.db2.gz HIOMRAKLIGWDEF-UHFFFAOYSA-N 0 0 232.283 2.281 10 0 BEAERN NC(=O)c1ccc(NC2CCSCC2)cc1 ZINC000035651921 181298698 /nfs/dbraw/zinc/29/86/98/181298698.db2.gz SZOKLEQFTWLHKJ-UHFFFAOYSA-N 0 0 236.340 2.093 10 0 BEAERN CCC(CC)CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134286673 358785804 /nfs/dbraw/zinc/78/58/04/358785804.db2.gz JIHODSNPANNQPL-NSHDSACASA-N 0 0 249.358 2.382 10 0 BEAERN CC(C)c1nnc(NCc2ccccn2)o1 ZINC000134439442 358790140 /nfs/dbraw/zinc/79/01/40/358790140.db2.gz NWZQFKQSUQNYDV-UHFFFAOYSA-N 0 0 218.260 2.200 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCC[C@@H]1CCCO ZINC000052758116 358791695 /nfs/dbraw/zinc/79/16/95/358791695.db2.gz KKADBXVMVJXVIW-VXGBXAGGSA-N 0 0 227.348 2.186 10 0 BEAERN O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1CCCO ZINC000052759197 358792532 /nfs/dbraw/zinc/79/25/32/358792532.db2.gz SKKAYWLBXPJPIK-QWHCGFSZSA-N 0 0 237.343 2.106 10 0 BEAERN O=C(c1cccs1)N1CCC[C@H]1CCCO ZINC000052758619 358792537 /nfs/dbraw/zinc/79/25/37/358792537.db2.gz RTAFRNXUZVQNJI-JTQLQIEISA-N 0 0 239.340 2.125 10 0 BEAERN Cc1ccccc1C(=O)N1CCC[C@H]1CCCO ZINC000052758597 358792640 /nfs/dbraw/zinc/79/26/40/358792640.db2.gz DYQFXKMMPCSHQE-ZDUSSCGKSA-N 0 0 247.338 2.372 10 0 BEAERN Cc1ccccc1C(=O)N1CCC[C@@H]1CCCO ZINC000052758595 358792765 /nfs/dbraw/zinc/79/27/65/358792765.db2.gz DYQFXKMMPCSHQE-CYBMUJFWSA-N 0 0 247.338 2.372 10 0 BEAERN CSCCCC(=O)N[C@@H](C)c1cccnc1 ZINC000134506101 358793288 /nfs/dbraw/zinc/79/32/88/358793288.db2.gz NWDGUTXFYZBYQV-JTQLQIEISA-N 0 0 238.356 2.402 10 0 BEAERN CC(C)c1cc(N[C@@H]2CCO[C@@H]2C)ncn1 ZINC000134574442 358796480 /nfs/dbraw/zinc/79/64/80/358796480.db2.gz UMMYASCBQYUAHI-NXEZZACHSA-N 0 0 221.304 2.189 10 0 BEAERN CSCCCC(=O)N[C@H](C)C1CCOCC1 ZINC000136005197 358860994 /nfs/dbraw/zinc/86/09/94/358860994.db2.gz MXAKSFQAUSUWQT-SNVBAGLBSA-N 0 0 245.388 2.061 10 0 BEAERN CCC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056045459 358894613 /nfs/dbraw/zinc/89/46/13/358894613.db2.gz LRMSIBVCQYXWTG-LLVKDONJSA-N 0 0 232.327 2.136 10 0 BEAERN C[C@@H]1OCC[C@H]1Sc1nccnc1Cl ZINC000300336126 358962447 /nfs/dbraw/zinc/96/24/47/358962447.db2.gz HSTSNFWQSCWGEZ-NKWVEPMBSA-N 0 0 230.720 2.400 10 0 BEAERN Oc1cccc([C@H]2NCCS2)c1Cl ZINC000306161858 358966659 /nfs/dbraw/zinc/96/66/59/358966659.db2.gz VRCJRBFJFFWAHW-VIFPVBQESA-N 0 0 215.705 2.381 10 0 BEAERN C[C@H](O)[C@H](C)S[C@H]1CCCCC[C@H]1O ZINC000300341880 358967613 /nfs/dbraw/zinc/96/76/13/358967613.db2.gz YJNWBDWLBYMPCY-MMWGEVLESA-N 0 0 218.362 2.183 10 0 BEAERN C[C@H]1CC[C@@H]1Nc1cc(Br)ncn1 ZINC000306163077 358972659 /nfs/dbraw/zinc/97/26/59/358972659.db2.gz GKBPPXNUQVYRTL-BQBZGAKWSA-N 0 0 242.120 2.450 10 0 BEAERN CCc1nc(CNc2cnns2)cs1 ZINC000306164419 358973374 /nfs/dbraw/zinc/97/33/74/358973374.db2.gz IFJQJPIDFLDDQW-UHFFFAOYSA-N 0 0 226.330 2.169 10 0 BEAERN CCCC(C)(C)Nc1nc(N)ns1 ZINC000306154456 358940080 /nfs/dbraw/zinc/94/00/80/358940080.db2.gz JEFBPWMTFKXWFG-UHFFFAOYSA-N 0 0 200.311 2.111 10 0 BEAERN CCn1nc(C)c(CNCc2cc(C)no2)c1C ZINC000105455406 358944898 /nfs/dbraw/zinc/94/48/98/358944898.db2.gz YVUGQIGDYPVXGK-UHFFFAOYSA-N 0 0 248.330 2.106 10 0 BEAERN FC(F)CNc1cc(Cl)nc(Cl)n1 ZINC000306168209 358977468 /nfs/dbraw/zinc/97/74/68/358977468.db2.gz XNYVGPQKJIZRNZ-UHFFFAOYSA-N 0 0 228.029 2.460 10 0 BEAERN N[C@H](c1ccc[nH]1)c1ccc(Br)o1 ZINC000306169566 358978023 /nfs/dbraw/zinc/97/80/23/358978023.db2.gz PTVNLQVVMZELNY-SECBINFHSA-N 0 0 241.088 2.418 10 0 BEAERN C[C@@H](CO)Nc1cc(F)cc(Cl)c1 ZINC000306195768 359024171 /nfs/dbraw/zinc/02/41/71/359024171.db2.gz JZMQWWSMMZEQJI-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN c1ccc2c(c1)OC[C@H]2NCc1cccnc1 ZINC000070070251 359039808 /nfs/dbraw/zinc/03/98/08/359039808.db2.gz DRVIXWKXQJWGGM-CYBMUJFWSA-N 0 0 226.279 2.305 10 0 BEAERN CC[C@@H]1OCC[C@@H]1c1nc(Cl)no1 ZINC000300384799 358980964 /nfs/dbraw/zinc/98/09/64/358980964.db2.gz QHPMRJYEJDOAMK-WDSKDSINSA-N 0 0 202.641 2.006 10 0 BEAERN CC(C)CC(=O)N[C@@H]1COc2ccccc21 ZINC000074913000 359135408 /nfs/dbraw/zinc/13/54/08/359135408.db2.gz NFLGBQWCUPQDPR-LLVKDONJSA-N 0 0 219.284 2.282 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000075374035 359144212 /nfs/dbraw/zinc/14/42/12/359144212.db2.gz ZTLPWZPJOOIIFZ-SKDRFNHKSA-N 0 0 243.310 2.481 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000246659973 359154418 /nfs/dbraw/zinc/15/44/18/359154418.db2.gz GPIJJQQRFMNMAJ-UPBCOZELSA-N 0 0 231.295 2.076 10 0 BEAERN CC[C@H](OC1CCCC1)C(=O)N[C@H]1C[C@H]1C ZINC000247124795 359194848 /nfs/dbraw/zinc/19/48/48/359194848.db2.gz WQJVKBIGEBPYHH-USWWRNFRSA-N 0 0 225.332 2.249 10 0 BEAERN Cc1[nH]ccc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247350544 359215033 /nfs/dbraw/zinc/21/50/33/359215033.db2.gz JVVSPQNQVPYCAQ-YNEHKIRRSA-N 0 0 248.326 2.011 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ccncc2Cl)C1 ZINC000308891918 491139840 /nfs/dbraw/zinc/13/98/40/491139840.db2.gz XHXTXAJMFIUEDK-RKDXNWHRSA-N 0 0 226.707 2.450 10 0 BEAERN CC[C@H]1C[C@H]1Nc1ccc(SC)nn1 ZINC000306210555 359303141 /nfs/dbraw/zinc/30/31/41/359303141.db2.gz ISFUNPNNNFJAAU-JGVFFNPUSA-N 0 0 209.318 2.409 10 0 BEAERN CCNC(=S)N[C@]1(C)CCCC[C@H]1C ZINC000306213179 359306139 /nfs/dbraw/zinc/30/61/39/359306139.db2.gz LEVCNBXOPSVVAP-MWLCHTKSSA-N 0 0 214.378 2.439 10 0 BEAERN O[C@H]1CCCC[C@@H]1CSc1ncns1 ZINC000306212359 359306201 /nfs/dbraw/zinc/30/62/01/359306201.db2.gz VIQAJHVPYPRHGW-SFYZADRCSA-N 0 0 230.358 2.181 10 0 BEAERN CCNC(=S)N[C@@]1(C)CCCC[C@H]1C ZINC000306213178 359306569 /nfs/dbraw/zinc/30/65/69/359306569.db2.gz LEVCNBXOPSVVAP-KOLCDFICSA-N 0 0 214.378 2.439 10 0 BEAERN COC(=O)c1c(N)c(C)ccc1SC ZINC000169124046 359313901 /nfs/dbraw/zinc/31/39/01/359313901.db2.gz YZPRKOGZCXVMAT-UHFFFAOYSA-N 0 0 211.286 2.086 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248331287 359264660 /nfs/dbraw/zinc/26/46/60/359264660.db2.gz DXXZZPCALUILBL-JCRCQARHSA-N 0 0 243.306 2.282 10 0 BEAERN C[C@@H]1SCCS[C@@H]1c1nccc(C=O)n1 ZINC000228183024 359362520 /nfs/dbraw/zinc/36/25/20/359362520.db2.gz UWFGQNZZAZKDDB-CBAPKCEASA-N 0 0 240.353 2.199 10 0 BEAERN CC1(CNC(=O)C(F)(F)Cl)CCC1 ZINC000306216938 359330708 /nfs/dbraw/zinc/33/07/08/359330708.db2.gz JLCOSKZDYCHZNA-UHFFFAOYSA-N 0 0 211.639 2.124 10 0 BEAERN CN(Cc1nc(Cl)cc(Cl)n1)C1CC1 ZINC000306219709 359336318 /nfs/dbraw/zinc/33/63/18/359336318.db2.gz TUVGQFDXLAZKIF-UHFFFAOYSA-N 0 0 232.114 2.378 10 0 BEAERN CCC(=O)c1sc(N2CCC2)cc1N ZINC000306239790 359408608 /nfs/dbraw/zinc/40/86/08/359408608.db2.gz KFDAGOPCLDGPMC-UHFFFAOYSA-N 0 0 210.302 2.133 10 0 BEAERN CCNC(=O)C(C)(C)Nc1nc(Cl)cs1 ZINC000306248165 359436315 /nfs/dbraw/zinc/43/63/15/359436315.db2.gz XCSCEKOEYIVNPY-UHFFFAOYSA-N 0 0 247.751 2.123 10 0 BEAERN [NH3+][C@H](C(=O)[O-])c1cc(Cl)sc1Cl ZINC000306240636 359418812 /nfs/dbraw/zinc/41/88/12/359418812.db2.gz QTMBSLGXUZVVCE-BYPYZUCNSA-N 0 0 226.084 2.139 10 0 BEAERN Cc1ccc([C@]2(O)COCC2(C)C)s1 ZINC000306241500 359421308 /nfs/dbraw/zinc/42/13/08/359421308.db2.gz RIUJRIBQJYGKMD-LLVKDONJSA-N 0 0 212.314 2.301 10 0 BEAERN CC[C@H](C)Nc1cc(Br)nc(N)n1 ZINC000306260393 359478860 /nfs/dbraw/zinc/47/88/60/359478860.db2.gz UJLZKKFNCXQPGC-YFKPBYRVSA-N 0 0 245.124 2.032 10 0 BEAERN C[C@]1(O)CCC[C@]1(C)Sc1ncc[nH]1 ZINC000306250235 359447962 /nfs/dbraw/zinc/44/79/62/359447962.db2.gz YOUSEIJOQRKWMF-UWVGGRQHSA-N 0 0 212.318 2.195 10 0 BEAERN CC1(C)CSC[C@@](O)(c2cscn2)C1 ZINC000306250740 359455578 /nfs/dbraw/zinc/45/55/78/359455578.db2.gz ZDCFZONPJHPROU-SNVBAGLBSA-N 0 0 229.370 2.494 10 0 BEAERN O[C@@H](c1ncc[nH]1)c1ccsc1Cl ZINC000306259363 359472606 /nfs/dbraw/zinc/47/26/06/359472606.db2.gz RZNIKXGEUDHOSL-ZCFIWIBFSA-N 0 0 214.677 2.206 10 0 BEAERN O[C@H](c1ncc[nH]1)c1ccsc1Cl ZINC000306259362 359472838 /nfs/dbraw/zinc/47/28/38/359472838.db2.gz RZNIKXGEUDHOSL-LURJTMIESA-N 0 0 214.677 2.206 10 0 BEAERN F[C@@H]1CC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000306258294 359474710 /nfs/dbraw/zinc/47/47/10/359474710.db2.gz ZZNFZZNMOJKCGY-RQJHMYQMSA-N 0 0 215.659 2.433 10 0 BEAERN CCc1noc([C@]2(C)CC2(Cl)Cl)n1 ZINC000306267809 359489135 /nfs/dbraw/zinc/48/91/35/359489135.db2.gz JKZMQIWQMJVOFD-ZETCQYMHSA-N 0 0 221.087 2.467 10 0 BEAERN O[C@@H](c1ccsc1Cl)[C@@H]1CCOC1 ZINC000306299153 359546021 /nfs/dbraw/zinc/54/60/21/359546021.db2.gz DVJUOEYHFSKUQH-HTRCEHHLSA-N 0 0 218.705 2.471 10 0 BEAERN CC1=C(CC(N)=O)c2cc(F)ccc2C1 ZINC000231237365 359527692 /nfs/dbraw/zinc/52/76/92/359527692.db2.gz YROGZLFRFPJWMC-UHFFFAOYSA-N 0 0 205.232 2.031 10 0 BEAERN Cc1csc(N[C@H](C)C[C@@H](C)O)n1 ZINC000130341487 359587743 /nfs/dbraw/zinc/58/77/43/359587743.db2.gz FYCSOOQYLZTRIG-HTRCEHHLSA-N 0 0 200.307 2.023 10 0 BEAERN C[C@H]([C@H]1[NH2+][C@H](C(=O)[O-])CCS1)C(C)(C)C ZINC000306321746 359609427 /nfs/dbraw/zinc/60/94/27/359609427.db2.gz UAOCXGRRICWKIC-VGMNWLOBSA-N 0 0 231.361 2.174 10 0 BEAERN COCC1(Nc2ccnc(Cl)n2)CCC1 ZINC000306334952 359635791 /nfs/dbraw/zinc/63/57/91/359635791.db2.gz GBUNFJWOBPWQNP-UHFFFAOYSA-N 0 0 227.695 2.111 10 0 BEAERN CC(C)ON[C@H]1CSCCC1(C)C ZINC000306348522 359668926 /nfs/dbraw/zinc/66/89/26/359668926.db2.gz SQZVWTXXDFMCIW-VIFPVBQESA-N 0 0 203.351 2.448 10 0 BEAERN C[C@@H]1COCCN1c1csc(Cl)n1 ZINC000306369641 359698786 /nfs/dbraw/zinc/69/87/86/359698786.db2.gz FVGVMTOUPGNOHC-ZCFIWIBFSA-N 0 0 218.709 2.022 10 0 BEAERN COC(=O)c1ccc(C#N)c(OC(C)C)c1 ZINC000380869870 359756123 /nfs/dbraw/zinc/75/61/23/359756123.db2.gz HGNIMYNVFJRMDS-UHFFFAOYSA-N 0 0 219.240 2.132 10 0 BEAERN O=c1sc(Cl)nn1Cc1cccs1 ZINC000306401131 359784221 /nfs/dbraw/zinc/78/42/21/359784221.db2.gz LUGKCRFEPCOFOH-UHFFFAOYSA-N 0 0 232.717 2.068 10 0 BEAERN Nc1c(Cl)ncnc1-c1cccs1 ZINC000306407382 359791066 /nfs/dbraw/zinc/79/10/66/359791066.db2.gz YXCZBWWWWATYOM-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CC[C@H](NO)c1ccc(O)c(Cl)c1 ZINC000306395520 359761775 /nfs/dbraw/zinc/76/17/75/359761775.db2.gz PPZCRTMXJCIJDF-QMMMGPOBSA-N 0 0 201.653 2.476 10 0 BEAERN O[C@@H]1CC[C@H](Nc2csc(Cl)n2)C1 ZINC000306397478 359762182 /nfs/dbraw/zinc/76/21/82/359762182.db2.gz JHTNRFFSEHRMPG-NTSWFWBYSA-N 0 0 218.709 2.122 10 0 BEAERN COc1cc(Br)cc2c1OCCN2 ZINC000306414869 359820245 /nfs/dbraw/zinc/82/02/45/359820245.db2.gz PHCOHXHYPBBJBM-UHFFFAOYSA-N 0 0 244.088 2.262 10 0 BEAERN C[C@H]1CC2(CCC2)C[N@@H+]1CCCC(=O)[O-] ZINC000380242446 366562935 /nfs/dbraw/zinc/56/29/35/366562935.db2.gz NLZDQVIIEFETCI-JTQLQIEISA-N 0 0 211.305 2.116 10 0 BEAERN CC(C)(CO)Sc1cccc(F)n1 ZINC000306422542 359863277 /nfs/dbraw/zinc/86/32/77/359863277.db2.gz FJMVADJQZSDEQN-UHFFFAOYSA-N 0 0 201.266 2.084 10 0 BEAERN CC(C)(C)NC(=O)c1cc(Cl)ns1 ZINC000306424803 359866934 /nfs/dbraw/zinc/86/69/34/359866934.db2.gz CBZHLQGDIQJNAW-UHFFFAOYSA-N 0 0 218.709 2.325 10 0 BEAERN Nc1ccc(F)cc1N[C@@H]1CCSC1 ZINC000231344212 359858504 /nfs/dbraw/zinc/85/85/04/359858504.db2.gz ZNTBZCBXVWIWDW-MRVPVSSYSA-N 0 0 212.293 2.325 10 0 BEAERN Nc1c(F)cccc1N[C@H]1CCSC1 ZINC000231344740 359858563 /nfs/dbraw/zinc/85/85/63/359858563.db2.gz TUFSOWFROBLEFX-ZETCQYMHSA-N 0 0 212.293 2.325 10 0 BEAERN Nc1ccc(N[C@H]2CCSC2)c(F)c1 ZINC000231343985 359858688 /nfs/dbraw/zinc/85/86/88/359858688.db2.gz VBTAPYPMEYQKCY-QMMMGPOBSA-N 0 0 212.293 2.325 10 0 BEAERN CC1(C)OCC[C@@H]1Nc1cnnc(Cl)c1 ZINC000306430619 359884599 /nfs/dbraw/zinc/88/45/99/359884599.db2.gz QFLCKVDBZRXXRV-QMMMGPOBSA-N 0 0 227.695 2.109 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000306431624 359924370 /nfs/dbraw/zinc/92/43/70/359924370.db2.gz ROLJZMRSULPRLJ-NTSWFWBYSA-N 0 0 228.094 2.187 10 0 BEAERN C[C@@H]1C[C@H]([NH3+])c2c1c(F)ccc2C(=O)[O-] ZINC000536960499 360014464 /nfs/dbraw/zinc/01/44/64/360014464.db2.gz PVEJLBFTXRTXBA-XRGYYRRGSA-N 0 0 209.220 2.031 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1csc(Cl)n1 ZINC000306442850 360014872 /nfs/dbraw/zinc/01/48/72/360014872.db2.gz LVOZBAUDCXOQFV-PHDIDXHHSA-N 0 0 218.709 2.386 10 0 BEAERN Cc1cccc(N=S2(=O)CCCC2)n1 ZINC000536956694 360007616 /nfs/dbraw/zinc/00/76/16/360007616.db2.gz ACRDDDWPQCCRFH-UHFFFAOYSA-N 0 0 210.302 2.283 10 0 BEAERN COc1c(F)ccc(F)c1C(=O)C(F)F ZINC000306473609 360097178 /nfs/dbraw/zinc/09/71/78/360097178.db2.gz UYFSXVMHMFYBRT-UHFFFAOYSA-N 0 0 222.137 2.421 10 0 BEAERN CCn1cncc1CN[C@H]1COc2ccccc21 ZINC000090173407 360062276 /nfs/dbraw/zinc/06/22/76/360062276.db2.gz KSINDGGYMVISSP-ZDUSSCGKSA-N 0 0 243.310 2.126 10 0 BEAERN CCn1cncc1CN[C@@H]1COc2ccccc21 ZINC000090173404 360062586 /nfs/dbraw/zinc/06/25/86/360062586.db2.gz KSINDGGYMVISSP-CYBMUJFWSA-N 0 0 243.310 2.126 10 0 BEAERN Nc1ccc(SCc2cnns2)cc1 ZINC000306463711 360070337 /nfs/dbraw/zinc/07/03/37/360070337.db2.gz IMSMXWGPJRFVLE-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN C[C@H]1CC[C@H]1NC(=O)C1(Br)CCC1 ZINC000306464215 360076352 /nfs/dbraw/zinc/07/63/52/360076352.db2.gz CIMDOKJXKYNCEP-JGVFFNPUSA-N 0 0 246.148 2.219 10 0 BEAERN COCC1(n2cc(C)[nH]c2=S)CCC1 ZINC000306468014 360080456 /nfs/dbraw/zinc/08/04/56/360080456.db2.gz MZEZYZOUXLWVDJ-UHFFFAOYSA-N 0 0 212.318 2.006 10 0 BEAERN CC(C)(C)c1nc(N2CCC2)sc1C=O ZINC000306470062 360087732 /nfs/dbraw/zinc/08/77/32/360087732.db2.gz QJFWHCWNSRHQMK-UHFFFAOYSA-N 0 0 224.329 2.463 10 0 BEAERN CN(Cc1sccc1Br)C(N)=O ZINC000306476541 360111417 /nfs/dbraw/zinc/11/14/17/360111417.db2.gz YHFOLMXYERANRN-UHFFFAOYSA-N 0 0 249.133 2.021 10 0 BEAERN CC1CC(C(=O)O[C@@H]2CCSC2)C1 ZINC000306483317 360152117 /nfs/dbraw/zinc/15/21/17/360152117.db2.gz FEGWELPNSYGSHK-AMDVSUOASA-N 0 0 200.303 2.081 10 0 BEAERN O=c1nc(C(F)F)[n-]c2sccc21 ZINC000306489571 360180976 /nfs/dbraw/zinc/18/09/76/360180976.db2.gz WTXJEXFMXZUGDP-UHFFFAOYSA-N 0 0 202.185 2.335 10 0 BEAERN CCCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000093470490 360245348 /nfs/dbraw/zinc/24/53/48/360245348.db2.gz KLWWIXHWXLRGHH-XQQFMLRXSA-N 0 0 239.359 2.329 10 0 BEAERN NC(=O)c1ccc(Oc2cc(F)ccc2N)cc1 ZINC000052122278 181300615 /nfs/dbraw/zinc/30/06/15/181300615.db2.gz NWFJJRVZKFPIHU-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN Brc1cc(-c2ncc[nH]2)ccn1 ZINC000237993167 360344414 /nfs/dbraw/zinc/34/44/14/360344414.db2.gz MJDWVYYNZBGDEU-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN CNC(=O)CS[C@H]1CCCC1(C)C ZINC000306503270 360314618 /nfs/dbraw/zinc/31/46/18/360314618.db2.gz VPLJEJGNHHUYCN-QMMMGPOBSA-N 0 0 201.335 2.044 10 0 BEAERN COC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094837698 360322568 /nfs/dbraw/zinc/32/25/68/360322568.db2.gz IDCMJXSBEPWBDQ-VHSXEESVSA-N 0 0 239.290 2.346 10 0 BEAERN C[C@H](CF)NC(=S)Nc1ccsc1 ZINC000306508696 360325131 /nfs/dbraw/zinc/32/51/31/360325131.db2.gz IOWSTPMRNAQFQW-ZCFIWIBFSA-N 0 0 218.322 2.393 10 0 BEAERN Cc1ncnc(NC(C)(C)CF)c1F ZINC000306529636 360374529 /nfs/dbraw/zinc/37/45/29/360374529.db2.gz CONBPYTZVFBLNW-UHFFFAOYSA-N 0 0 201.220 2.084 10 0 BEAERN CSc1ccncc1N[C@H]1CCOC1 ZINC000306528376 360376871 /nfs/dbraw/zinc/37/68/71/360376871.db2.gz BJPDPMPQIZJCLK-QMMMGPOBSA-N 0 0 210.302 2.004 10 0 BEAERN COc1cc(C(=O)c2csc(C)n2)sn1 ZINC000306534361 360393297 /nfs/dbraw/zinc/39/32/97/360393297.db2.gz IPCQCFGWDLNWBI-UHFFFAOYSA-N 0 0 240.309 2.148 10 0 BEAERN CCC1(C)CN(c2nsnc2Cl)C1 ZINC000306560341 360436159 /nfs/dbraw/zinc/43/61/59/360436159.db2.gz RONZJMSPHKEISD-UHFFFAOYSA-N 0 0 217.725 2.428 10 0 BEAERN Cc1cnc([C@H](O)c2csc(C)n2)s1 ZINC000306560721 360437955 /nfs/dbraw/zinc/43/79/55/360437955.db2.gz BIRMBUCNLIBFDD-MRVPVSSYSA-N 0 0 226.326 2.298 10 0 BEAERN C[C@@H]1CSCC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000306566740 360445892 /nfs/dbraw/zinc/44/58/92/360445892.db2.gz YWZJTPXIUCZWDR-WDEREUQCSA-N 0 0 227.373 2.183 10 0 BEAERN Nc1cc(Br)ccc1NCCF ZINC000306570074 360449399 /nfs/dbraw/zinc/44/93/99/360449399.db2.gz XZYYCTLTLFCNMW-UHFFFAOYSA-N 0 0 233.084 2.413 10 0 BEAERN Cc1cc(F)c(F)c2c1OCC[C@H]2O ZINC000306537117 360403491 /nfs/dbraw/zinc/40/34/91/360403491.db2.gz LCSBRAWKHRXZON-SSDOTTSWSA-N 0 0 200.184 2.089 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H](O)C2)c1 ZINC000614143530 363733223 /nfs/dbraw/zinc/73/32/23/363733223.db2.gz RQAHSWCHPQCDOC-OLZOCXBDSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H]2CCC[C@H](O)C2)c1 ZINC000614143532 363733731 /nfs/dbraw/zinc/73/37/31/363733731.db2.gz RQAHSWCHPQCDOC-STQMWFEESA-N 0 0 247.338 2.337 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c1C ZINC000614143562 363734025 /nfs/dbraw/zinc/73/40/25/363734025.db2.gz NULGFNCBUIBUTM-CHWSQXEVSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)c(C)c1 ZINC000614147733 363734713 /nfs/dbraw/zinc/73/47/13/363734713.db2.gz ZFXWEORYBJWXPC-QWHCGFSZSA-N 0 0 247.338 2.337 10 0 BEAERN FCCCNc1ncc2ccsc2n1 ZINC000306542653 360411586 /nfs/dbraw/zinc/41/15/86/360411586.db2.gz RACPGAZAXISSFX-UHFFFAOYSA-N 0 0 211.265 2.463 10 0 BEAERN Cc1cnc([C@@H]2NC[C@H](C)S2)s1 ZINC000306547336 360416152 /nfs/dbraw/zinc/41/61/52/360416152.db2.gz CCYFFBHPRNDAAZ-POYBYMJQSA-N 0 0 200.332 2.175 10 0 BEAERN CC(=O)c1cnc(N2CCSC[C@@H]2C)s1 ZINC000069762081 360423398 /nfs/dbraw/zinc/42/33/98/360423398.db2.gz SOSXMTCJPUHBEK-ZETCQYMHSA-N 0 0 242.369 2.287 10 0 BEAERN C[C@H]1C[C@H]1C(=O)c1ccc2c(c1)OCC2 ZINC000306551203 360424754 /nfs/dbraw/zinc/42/47/54/360424754.db2.gz ZVWUUIBAKSOCKV-GZMMTYOYSA-N 0 0 202.253 2.460 10 0 BEAERN CC(=O)c1nc(-c2cnn(C)c2C)cs1 ZINC000306587594 360491284 /nfs/dbraw/zinc/49/12/84/360491284.db2.gz VBKHOYGMLANOTR-UHFFFAOYSA-N 0 0 221.285 2.055 10 0 BEAERN CCC1N=NC(=S)N1[C@@H]1CS[C@H](C)C1 ZINC000306571528 360457919 /nfs/dbraw/zinc/45/79/19/360457919.db2.gz HANLADDBGBNASM-RQJHMYQMSA-N 0 0 229.374 2.196 10 0 BEAERN O=Cc1cncn1[C@H]1CCCC1(F)F ZINC000306579018 360466527 /nfs/dbraw/zinc/46/65/27/360466527.db2.gz MPEDCOPLCIIDLR-QMMMGPOBSA-N 0 0 200.188 2.056 10 0 BEAERN C[C@H]1CSC[C@H]1Nc1nc(Cl)ncc1F ZINC000306578155 360467337 /nfs/dbraw/zinc/46/73/37/360467337.db2.gz LVZNIEQIDGXTQF-CAHLUQPWSA-N 0 0 247.726 2.433 10 0 BEAERN NC(=O)c1c(Cl)cccc1OC(F)F ZINC000306605081 360533542 /nfs/dbraw/zinc/53/35/42/360533542.db2.gz PCYYFUJPHMTPHT-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN COc1cc([C@H]2CCC(=O)C2)c(F)cn1 ZINC000306591369 360506023 /nfs/dbraw/zinc/50/60/23/360506023.db2.gz VNAIAVYAIIWOHP-ZETCQYMHSA-N 0 0 209.220 2.066 10 0 BEAERN CC(C)n1ccc(N[C@@H]2CCSC2)n1 ZINC000300819021 360517172 /nfs/dbraw/zinc/51/71/72/360517172.db2.gz AKYDBYTUZSNJMM-SECBINFHSA-N 0 0 211.334 2.381 10 0 BEAERN CC(C)n1ccc(N[C@H]2CCSC2)n1 ZINC000300819023 360517421 /nfs/dbraw/zinc/51/74/21/360517421.db2.gz AKYDBYTUZSNJMM-VIFPVBQESA-N 0 0 211.334 2.381 10 0 BEAERN CS[C@@H]1CCCN(C(=O)C(C)C)CC1 ZINC000300810264 360517498 /nfs/dbraw/zinc/51/74/98/360517498.db2.gz HAQLZRVTWIFKAI-SNVBAGLBSA-N 0 0 215.362 2.387 10 0 BEAERN Cn1nnc(Br)c1CC1=CCCC1 ZINC000306597604 360519734 /nfs/dbraw/zinc/51/97/34/360519734.db2.gz ZSGNJPJQJHCTLY-UHFFFAOYSA-N 0 0 242.120 2.230 10 0 BEAERN CC1(C)CCCN(C2N=NC(=S)S2)C1 ZINC000069793766 360556228 /nfs/dbraw/zinc/55/62/28/360556228.db2.gz BAGDNKZKTJVCEH-UHFFFAOYSA-N 0 0 229.374 2.453 10 0 BEAERN COc1ccncc1C(=O)C1CCCC1 ZINC000306610513 360615258 /nfs/dbraw/zinc/61/52/58/360615258.db2.gz AKZBLDQVAZUOHU-UHFFFAOYSA-N 0 0 205.257 2.463 10 0 BEAERN C[C@@H]1CC[C@H](c2nsc(Cl)n2)O1 ZINC000306609170 360587492 /nfs/dbraw/zinc/58/74/92/360587492.db2.gz JXKCYPVEXUKXKV-RFZPGFLSSA-N 0 0 204.682 2.432 10 0 BEAERN C[C@H]1CC[C@@H](c2nsc(Cl)n2)O1 ZINC000306609172 360587807 /nfs/dbraw/zinc/58/78/07/360587807.db2.gz JXKCYPVEXUKXKV-WHFBIAKZSA-N 0 0 204.682 2.432 10 0 BEAERN C[C@H]1CC[C@H](c2nsc(Cl)n2)O1 ZINC000306609169 360587859 /nfs/dbraw/zinc/58/78/59/360587859.db2.gz JXKCYPVEXUKXKV-CRCLSJGQSA-N 0 0 204.682 2.432 10 0 BEAERN C[NH2+]Cc1nnc(-c2cc(C)cs2)s1 ZINC000306610577 360616005 /nfs/dbraw/zinc/61/60/05/360616005.db2.gz ASKCAWGIIGEWEA-UHFFFAOYSA-N 0 0 225.342 2.294 10 0 BEAERN NC(=O)c1cccnc1Sc1ccc(O)cc1 ZINC000038079230 181307287 /nfs/dbraw/zinc/30/72/87/181307287.db2.gz SFQQHAVXZPWWHB-UHFFFAOYSA-N 0 0 246.291 2.037 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cnc1C ZINC000238257991 360763059 /nfs/dbraw/zinc/76/30/59/360763059.db2.gz AORPFZPSLOSTEZ-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN NC(=O)c1cccnc1NCC1CCCCC1 ZINC000029359868 181307777 /nfs/dbraw/zinc/30/77/77/181307777.db2.gz WPKDCKOHVBGIFC-UHFFFAOYSA-N 0 0 233.315 2.173 10 0 BEAERN NC(=O)c1cnc2ccsc2c1Cl ZINC000090585824 181308811 /nfs/dbraw/zinc/30/88/11/181308811.db2.gz IHFQBSOQVRHVCP-UHFFFAOYSA-N 0 0 212.661 2.049 10 0 BEAERN CC(=O)Nc1ccc2c(c1C)CCC2=O ZINC000035033489 200653552 /nfs/dbraw/zinc/65/35/52/200653552.db2.gz UMRQQAJVYBHPCK-UHFFFAOYSA-N 0 0 203.241 2.082 10 0 BEAERN NC(=S)CCN1c2ccccc2CCCC1=O ZINC000034978264 181315687 /nfs/dbraw/zinc/31/56/87/181315687.db2.gz WHZWAAOAVIYSFT-UHFFFAOYSA-N 0 0 248.351 2.032 10 0 BEAERN NC(=S)Cc1ccc(Cl)cc1F ZINC000083344073 181317202 /nfs/dbraw/zinc/31/72/02/181317202.db2.gz HMOMGFQUYQLJES-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN NC(=S)Cc1ccc(F)c(Cl)c1 ZINC000083344072 181317223 /nfs/dbraw/zinc/31/72/23/181317223.db2.gz YQPXSCUMQMKRCV-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN NC(=S)CCn1nc(Cl)c2ccccc21 ZINC000045921636 181316265 /nfs/dbraw/zinc/31/62/65/181316265.db2.gz BSTMPNYFEHVNHT-UHFFFAOYSA-N 0 0 239.731 2.366 10 0 BEAERN NC(=S)CCc1c[nH]c2ccccc12 ZINC000001509222 181316331 /nfs/dbraw/zinc/31/63/31/181316331.db2.gz VEVIATJMOCYVFU-UHFFFAOYSA-N 0 0 204.298 2.387 10 0 BEAERN NC(=S)COCc1ccccc1Cl ZINC000019422682 181316333 /nfs/dbraw/zinc/31/63/33/181316333.db2.gz UZTXIQSDGZGCLR-UHFFFAOYSA-N 0 0 215.705 2.143 10 0 BEAERN NC(=S)CCn1ncc2c1cccc2Cl ZINC000045921639 181316410 /nfs/dbraw/zinc/31/64/10/181316410.db2.gz ZGBOIWFHSCNCQK-UHFFFAOYSA-N 0 0 239.731 2.366 10 0 BEAERN NC(=S)Cc1cccc(Cl)c1F ZINC000083344077 181317258 /nfs/dbraw/zinc/31/72/58/181317258.db2.gz WPNTZZWPCJGRSZ-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN NC(=S)Cc1cc(Br)ccc1F ZINC000019282711 181316591 /nfs/dbraw/zinc/31/65/91/181316591.db2.gz OTWAISZDAFZHKY-UHFFFAOYSA-N 0 0 248.120 2.417 10 0 BEAERN C[C@H]1CC(CNc2ncc(F)cn2)C[C@H](C)O1 ZINC000281768807 200771755 /nfs/dbraw/zinc/77/17/55/200771755.db2.gz GDQKHGBLJWFOLH-IUCAKERBSA-N 0 0 239.294 2.231 10 0 BEAERN OC[C@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000039602672 360982489 /nfs/dbraw/zinc/98/24/89/360982489.db2.gz BCDVRNCZMZEOBT-QWHCGFSZSA-N 0 0 222.284 2.263 10 0 BEAERN O=C1CCC[S@](=O)c2cc(F)c(F)cc21 ZINC000040973249 360982844 /nfs/dbraw/zinc/98/28/44/360982844.db2.gz ZEBQQKQCDKVMNN-OAHLLOKOSA-N 0 0 230.235 2.049 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)CCC[S@@]2=O ZINC000040973036 360983787 /nfs/dbraw/zinc/98/37/87/360983787.db2.gz DMUVKZGDDYGJNB-OAHLLOKOSA-N 0 0 222.309 2.388 10 0 BEAERN Cc1ccc(C)c2c1C(=O)C[C@@H](C)[S@]2=O ZINC000040973030 360984542 /nfs/dbraw/zinc/98/45/42/360984542.db2.gz SQYIVTHAGYDINL-PSLIRLAXSA-N 0 0 222.309 2.386 10 0 BEAERN NC(=S)c1ccc(-n2cccc2)cc1 ZINC000083343814 181320723 /nfs/dbraw/zinc/32/07/23/181320723.db2.gz BXIDSFQRJAMCFA-UHFFFAOYSA-N 0 0 202.282 2.112 10 0 BEAERN NC(=S)c1ccccc1NC1CCC1 ZINC000052211779 181321280 /nfs/dbraw/zinc/32/12/80/181321280.db2.gz CDPWXZWXIPXNJX-UHFFFAOYSA-N 0 0 206.314 2.285 10 0 BEAERN NC(=S)c1ccnc(NCc2ccccc2)c1 ZINC000019518002 181321364 /nfs/dbraw/zinc/32/13/64/181321364.db2.gz BYDUEFBXVQFIAN-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN NC(=S)c1cnc(Cl)c(Cl)c1 ZINC000083344906 181321697 /nfs/dbraw/zinc/32/16/97/181321697.db2.gz JHXUWGHFOVRLMG-UHFFFAOYSA-N 0 0 207.085 2.023 10 0 BEAERN NC(=S)c1nccc2cccc(F)c21 ZINC000082769392 181322706 /nfs/dbraw/zinc/32/27/06/181322706.db2.gz AQASQFYMCCFSSU-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN Cc1ncc(OC(F)(F)F)cc1C=O ZINC000238485173 361115401 /nfs/dbraw/zinc/11/54/01/361115401.db2.gz ZNVLGNFSMJBQOZ-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Nc1cnc(OC(F)(F)F)cc1Cl ZINC000238598429 361162453 /nfs/dbraw/zinc/16/24/53/361162453.db2.gz VPDJIEAZDOVPQY-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN COC(=O)c1c(Br)ccc(O)c1F ZINC000306614612 361143585 /nfs/dbraw/zinc/14/35/85/361143585.db2.gz MAQSOHPVRREJLG-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN CC[C@H](C)[C@H](O)c1cc(Cl)cnc1N ZINC000069943361 361174580 /nfs/dbraw/zinc/17/45/80/361174580.db2.gz KUUWLXALDJOUBU-RCOVLWMOSA-N 0 0 214.696 2.397 10 0 BEAERN Fc1ccc(-n2cc(Br)cn2)nc1 ZINC000041045509 361183102 /nfs/dbraw/zinc/18/31/02/361183102.db2.gz KXHSSXJEYOOOCR-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN CC1(C)CC[C@H]1NC(=O)C(F)(F)Cl ZINC000306619204 361194497 /nfs/dbraw/zinc/19/44/97/361194497.db2.gz URPBHLXJDUWKMX-RXMQYKEDSA-N 0 0 211.639 2.123 10 0 BEAERN CC1(C)CC[C@@H]1NC(=O)C(F)(F)Cl ZINC000306619205 361194523 /nfs/dbraw/zinc/19/45/23/361194523.db2.gz URPBHLXJDUWKMX-YFKPBYRVSA-N 0 0 211.639 2.123 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1csc(C2CC2)n1 ZINC000171048827 361232811 /nfs/dbraw/zinc/23/28/11/361232811.db2.gz LVZGYOJWHMJYRX-POYBYMJQSA-N 0 0 222.313 2.159 10 0 BEAERN COc1ccncc1C[C@H]1CCCC1=O ZINC000306624904 361285137 /nfs/dbraw/zinc/28/51/37/361285137.db2.gz GDUUMXLFNHZQQG-SECBINFHSA-N 0 0 205.257 2.002 10 0 BEAERN Cc1nc(C)c(-c2noc(Cl)n2)s1 ZINC000306625178 361286302 /nfs/dbraw/zinc/28/63/02/361286302.db2.gz GHTAKZVRRYWOJX-UHFFFAOYSA-N 0 0 215.665 2.463 10 0 BEAERN Cn1ccnc1-c1ccc(C=O)cc1F ZINC000161635028 370680896 /nfs/dbraw/zinc/68/08/96/370680896.db2.gz KHOWUTYCRMOPTM-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CCc1nnc(CN[C@@H](C)c2ccc(C)o2)[nH]1 ZINC000162457612 361352537 /nfs/dbraw/zinc/35/25/37/361352537.db2.gz SPWJNQNXPKGTFI-VIFPVBQESA-N 0 0 234.303 2.119 10 0 BEAERN NN=c1ccc2cc(F)cc(Cl)c2[nH]1 ZINC000070063943 361392792 /nfs/dbraw/zinc/39/27/92/361392792.db2.gz KBBUEHYSVHAOHS-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN NN=c1ccc2cccc(Br)c2[nH]1 ZINC000070063955 361392996 /nfs/dbraw/zinc/39/29/96/361392996.db2.gz VUZPEGVJWUCZTJ-UHFFFAOYSA-N 0 0 238.088 2.283 10 0 BEAERN Nc1ccc(C(=O)[C@@H]2CCCO2)c(Cl)c1 ZINC000070042456 361384284 /nfs/dbraw/zinc/38/42/84/361384284.db2.gz WMMZQGILVDEMJT-JTQLQIEISA-N 0 0 225.675 2.284 10 0 BEAERN Cc1ccc(S[C@H]2CCOC2)c(N)c1 ZINC000070072237 361402498 /nfs/dbraw/zinc/40/24/98/361402498.db2.gz PQSNYXUDGIMYQH-VIFPVBQESA-N 0 0 209.314 2.458 10 0 BEAERN CCn1ccnc1CSC[C@H](C)OC ZINC000181111400 366785476 /nfs/dbraw/zinc/78/54/76/366785476.db2.gz XGHZOJQVFRNEBD-VIFPVBQESA-N 0 0 214.334 2.171 10 0 BEAERN Clc1cccc(OCc2ncon2)c1 ZINC000070233908 361486626 /nfs/dbraw/zinc/48/66/26/361486626.db2.gz CQAOHLPXWMMMBY-UHFFFAOYSA-N 0 0 210.620 2.302 10 0 BEAERN COc1ccc(NCc2nccn2C)cc1OC ZINC000036804582 361492596 /nfs/dbraw/zinc/49/25/96/361492596.db2.gz DGEAROJZLXWASI-UHFFFAOYSA-N 0 0 247.298 2.049 10 0 BEAERN CCONC(=O)c1cnc(Cl)c(Cl)c1 ZINC000070268021 361501338 /nfs/dbraw/zinc/50/13/38/361501338.db2.gz FRMOGUHJXUIABQ-UHFFFAOYSA-N 0 0 235.070 2.070 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)c2ncccn2)C1 ZINC000070566280 361561737 /nfs/dbraw/zinc/56/17/37/361561737.db2.gz VWKCLBAUHCLRJI-ZJUUUORDSA-N 0 0 204.273 2.486 10 0 BEAERN CC(C)n1ccnc1CN(C)[C@H](C)C(C)(C)O ZINC000448546845 201202298 /nfs/dbraw/zinc/20/22/98/201202298.db2.gz ODGRPNJDESGYHU-LLVKDONJSA-N 0 0 239.363 2.055 10 0 BEAERN Cc1ccccc1Cc1nc(Cl)n[nH]1 ZINC000070584186 361573190 /nfs/dbraw/zinc/57/31/90/361573190.db2.gz KZUZUYDJENUURX-UHFFFAOYSA-N 0 0 207.664 2.357 10 0 BEAERN O=C(NCc1ccc[nH]1)NC1CCCCC1 ZINC000041595287 361574309 /nfs/dbraw/zinc/57/43/09/361574309.db2.gz GBDYCDJZUTZQCO-UHFFFAOYSA-N 0 0 221.304 2.147 10 0 BEAERN CC[C@@H]1Cc2c(Cl)cccc2C(=O)N1 ZINC000070587912 361575602 /nfs/dbraw/zinc/57/56/02/361575602.db2.gz CRSLBMIRVJRSFM-SSDOTTSWSA-N 0 0 209.676 2.405 10 0 BEAERN CCC[C@H]1CCCN(C(N)=S)CC1 ZINC000070613158 361626294 /nfs/dbraw/zinc/62/62/94/361626294.db2.gz NVORJPFOZQGQBE-VIFPVBQESA-N 0 0 200.351 2.132 10 0 BEAERN CC(C)(C)[C@H]1CCCN(C(N)=S)CC1 ZINC000070613164 361626746 /nfs/dbraw/zinc/62/67/46/361626746.db2.gz JCUPRVSXPCSBPT-VIFPVBQESA-N 0 0 214.378 2.378 10 0 BEAERN C[C@H]1C[C@@H]1c1ccc(CNCc2cn[nH]c2)o1 ZINC000038005673 361634551 /nfs/dbraw/zinc/63/45/51/361634551.db2.gz AKZAVPUAOWRSOF-CABZTGNLSA-N 0 0 231.299 2.416 10 0 BEAERN C[C@H](Nc1cnccn1)c1nccs1 ZINC000070621398 361650332 /nfs/dbraw/zinc/65/03/32/361650332.db2.gz DEHDFPLUSGBEIQ-ZETCQYMHSA-N 0 0 206.274 2.106 10 0 BEAERN Cc1cc(F)cc(NCc2nnnn2C(C)C)c1 ZINC000155075534 201301601 /nfs/dbraw/zinc/30/16/01/201301601.db2.gz CAQDFWJPUDHFHT-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN Cc1ccnn1CC(=O)c1ccccc1 ZINC000070685788 361721892 /nfs/dbraw/zinc/72/18/92/361721892.db2.gz LJQQYZOXXLTIOL-UHFFFAOYSA-N 0 0 200.241 2.074 10 0 BEAERN Cc1c(C)c(OCC(F)F)nnc1Cl ZINC000130623097 363814072 /nfs/dbraw/zinc/81/40/72/363814072.db2.gz ZWVPRRRKYKNZQN-UHFFFAOYSA-N 0 0 222.622 2.391 10 0 BEAERN Cc1cnn(-c2cc(Cl)ccc2N)c1 ZINC000214870633 363847225 /nfs/dbraw/zinc/84/72/25/363847225.db2.gz STVOSWGXHZFXOA-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CN(C)NCc1ccc(F)cc1Br ZINC000214885143 363873770 /nfs/dbraw/zinc/87/37/70/363873770.db2.gz XCBMBDXUFYGVAT-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN C=C/C=C/CCn1cc(Br)c(N)n1 ZINC000713757708 541302426 /nfs/dbraw/zinc/30/24/26/541302426.db2.gz LYCPQFLGBFXIQH-ONEGZZNKSA-N 0 0 242.120 2.360 10 0 BEAERN C[C@H]1CSCCN1Cc1ccc(C=O)o1 ZINC000161286763 363916343 /nfs/dbraw/zinc/91/63/43/363916343.db2.gz NJEHWFAGZFTVOY-VIFPVBQESA-N 0 0 225.313 2.029 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccc(C)s1 ZINC000234582941 541312059 /nfs/dbraw/zinc/31/20/59/541312059.db2.gz IUGCWNAMQFNPGR-VHSXEESVSA-N 0 0 246.715 2.410 10 0 BEAERN CC(C)(C)[C@H](O)C[C@@H]1CCCC[C@H]1O ZINC000252611463 364050738 /nfs/dbraw/zinc/05/07/38/364050738.db2.gz VPAHSSJVRISQGH-HBNTYKKESA-N 0 0 200.322 2.335 10 0 BEAERN COC(=O)c1cnc(Cl)c(C)c1Cl ZINC000115908632 370704947 /nfs/dbraw/zinc/70/49/47/370704947.db2.gz DMWFUFYCVMLRHQ-UHFFFAOYSA-N 0 0 220.055 2.483 10 0 BEAERN CCN(C(=O)N[C@@H](C)C(C)C)C(C)C ZINC000170748471 364151969 /nfs/dbraw/zinc/15/19/69/364151969.db2.gz SDBPSERXTBWHNP-JTQLQIEISA-N 0 0 200.326 2.471 10 0 BEAERN Cn1cc(C(F)F)c(-c2cncc(C=O)c2)n1 ZINC000725269813 541339249 /nfs/dbraw/zinc/33/92/49/541339249.db2.gz DOBMFFPULNKAMJ-UHFFFAOYSA-N 0 0 237.209 2.232 10 0 BEAERN Nc1cccc(Cl)c1N1CCCC1=O ZINC000725273477 541340667 /nfs/dbraw/zinc/34/06/67/541340667.db2.gz GCFPJJNXUHNDRY-UHFFFAOYSA-N 0 0 210.664 2.049 10 0 BEAERN Brc1cncc(-c2cc[nH]n2)c1 ZINC000116381231 370765864 /nfs/dbraw/zinc/76/58/64/370765864.db2.gz BMWWJZQQLWJCKY-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN CC(C)(C)c1ccc2oc(C(=N)NO)nc2c1 ZINC000075848357 541349985 /nfs/dbraw/zinc/34/99/85/541349985.db2.gz ATJAMHVPOSBSJU-UHFFFAOYSA-N 0 0 233.271 2.429 10 0 BEAERN Cc1cnn(-c2ccc(F)cc2C=O)c1 ZINC000037677466 364486950 /nfs/dbraw/zinc/48/69/50/364486950.db2.gz XPMHSMDDLINWBZ-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN C[C@H](O)CSc1ccc(F)c(F)c1 ZINC000037697065 364532555 /nfs/dbraw/zinc/53/25/55/364532555.db2.gz YFNYBLUJLYCARH-LURJTMIESA-N 0 0 204.241 2.438 10 0 BEAERN C[C@@H](O)CNc1cc(Br)ccc1F ZINC000037687914 364517097 /nfs/dbraw/zinc/51/70/97/364517097.db2.gz SDFJGXVOIWHOLG-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN c1cnc2nn3c(c2c1)NC[C@@H]1CCC[C@H]13 ZINC000232464278 541394465 /nfs/dbraw/zinc/39/44/65/541394465.db2.gz PAABZYNGEHJEKN-WCBMZHEXSA-N 0 0 214.272 2.198 10 0 BEAERN CCc1nc2n(n1)[C@H](CC)C[C@H](CC)N2 ZINC000234080849 541439636 /nfs/dbraw/zinc/43/96/36/541439636.db2.gz UWRUUASOHDKARJ-DTWKUNHWSA-N 0 0 208.309 2.386 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12C[C@H](C)CC[C@H]2C ZINC000250710404 541440055 /nfs/dbraw/zinc/44/00/55/541440055.db2.gz XZNCUFBYQKZXCO-SVDPJWKOSA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12C[C@@H](C)CC[C@H]2C ZINC000250710407 541440251 /nfs/dbraw/zinc/44/02/51/541440251.db2.gz XZNCUFBYQKZXCO-WYFGTUCQSA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)[C@@H](O)C1=CC[C@@H](CC)CC1 ZINC000675053939 541433179 /nfs/dbraw/zinc/43/31/79/541433179.db2.gz RIHPXFXPJUGGHL-KOLCDFICSA-N 0 0 212.289 2.047 10 0 BEAERN CCOC(=O)[C@@H](O)C1=CC[C@H](CC)CC1 ZINC000675053942 541433343 /nfs/dbraw/zinc/43/33/43/541433343.db2.gz RIHPXFXPJUGGHL-ONGXEEELSA-N 0 0 212.289 2.047 10 0 BEAERN COC(=O)[C@]1(CC(C)C)OC12CC(SC)C2 ZINC000669383984 541437257 /nfs/dbraw/zinc/43/72/57/541437257.db2.gz ZJQNZTZYAHNVSK-NHNAUAITSA-N 0 0 244.356 2.239 10 0 BEAERN CCCc1cc(N)c2c(CC)noc2n1 ZINC000669384198 541437509 /nfs/dbraw/zinc/43/75/09/541437509.db2.gz QBQNGGKNUAQBJI-UHFFFAOYSA-N 0 0 205.261 2.320 10 0 BEAERN COC(=O)[C@]1(Cl)OC12CCC(F)(F)CC2 ZINC000669384147 541437884 /nfs/dbraw/zinc/43/78/84/541437884.db2.gz OPKBULMVNFLSIK-VIFPVBQESA-N 0 0 240.633 2.073 10 0 BEAERN C[C@H]1CN(C(=O)C2CCCC2)CCS1 ZINC000171580271 365219513 /nfs/dbraw/zinc/21/95/13/365219513.db2.gz CRJNTGUJDDOVSP-VIFPVBQESA-N 0 0 213.346 2.141 10 0 BEAERN [NH3+]C[C@@H](CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000013557009 181417850 /nfs/dbraw/zinc/41/78/50/181417850.db2.gz QPRNJZLJGQOETG-SECBINFHSA-N 0 0 227.691 2.247 10 0 BEAERN COC[C@@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000171431177 365199426 /nfs/dbraw/zinc/19/94/26/365199426.db2.gz SICRKQIHDVJDOV-MOENNCHZSA-N 0 0 227.348 2.306 10 0 BEAERN COC[C@H](C)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000171442959 365200665 /nfs/dbraw/zinc/20/06/65/365200665.db2.gz OPBKYJBMIJTDQL-MXWKQRLJSA-N 0 0 227.348 2.210 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000171461077 365201518 /nfs/dbraw/zinc/20/15/18/365201518.db2.gz WOPBRMXFIACTCO-GRYCIOLGSA-N 0 0 227.348 2.211 10 0 BEAERN CCC(CC)C(=O)N1CCS[C@@H](C)C1 ZINC000171571495 365208196 /nfs/dbraw/zinc/20/81/96/365208196.db2.gz UQJOOCATKZEMGU-VIFPVBQESA-N 0 0 215.362 2.387 10 0 BEAERN C[C@@H]1[C@@H](C)CCCN1Cc1nnc(C2CC2)n1C ZINC000172861580 365383754 /nfs/dbraw/zinc/38/37/54/365383754.db2.gz UWEOXUTZSBYBCX-WDEREUQCSA-N 0 0 248.374 2.313 10 0 BEAERN CCc1nc(CN(C)[C@@H]2CCC[C@@H]2O)cs1 ZINC000337372588 365394528 /nfs/dbraw/zinc/39/45/28/365394528.db2.gz XBPPRULCODPWFY-MNOVXSKESA-N 0 0 240.372 2.051 10 0 BEAERN COC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000172794544 365381119 /nfs/dbraw/zinc/38/11/19/365381119.db2.gz PSRPOAXHEWSFCF-NWDGAFQWSA-N 0 0 247.338 2.242 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H](C2CCCCCC2)C1 ZINC000675060458 541463543 /nfs/dbraw/zinc/46/35/43/541463543.db2.gz YYMFQMAZTKZTKB-NWDGAFQWSA-N 0 0 225.332 2.267 10 0 BEAERN O=Cc1ccc(N2CCC[C@H](CF)C2)o1 ZINC000675064762 541466936 /nfs/dbraw/zinc/46/69/36/541466936.db2.gz SEVWTPVTOYIELI-SECBINFHSA-N 0 0 211.236 2.278 10 0 BEAERN CC[C@H]1[C@@H](C)CNc2nc(C(F)F)nn21 ZINC000312878818 541468874 /nfs/dbraw/zinc/46/88/74/541468874.db2.gz FFYOLERJCHOVJK-WDSKDSINSA-N 0 0 216.235 2.228 10 0 BEAERN COC(=O)c1cc2cc(F)c(F)cc2o1 ZINC000685952082 541497597 /nfs/dbraw/zinc/49/75/97/541497597.db2.gz SUMRDZIJJSLXBA-UHFFFAOYSA-N 0 0 212.151 2.498 10 0 BEAERN Nc1ccc2cn(CC(F)(F)F)nc2c1 ZINC000685965926 541498141 /nfs/dbraw/zinc/49/81/41/541498141.db2.gz ZAOBRJRLOWMUBO-UHFFFAOYSA-N 0 0 215.178 2.181 10 0 BEAERN CCc1[nH]nc(N)c1-c1cccc(F)c1 ZINC000026511329 541499494 /nfs/dbraw/zinc/49/94/94/541499494.db2.gz SYGZUNGCOXESOS-UHFFFAOYSA-N 0 0 205.236 2.360 10 0 BEAERN CC(C)c1nc2n(n1)[C@H](C(C)C)CCN2 ZINC000232691361 541504857 /nfs/dbraw/zinc/50/48/57/541504857.db2.gz ZVIHONDKBXXSCK-VIFPVBQESA-N 0 0 208.309 2.414 10 0 BEAERN C1CC(c2nc3n(n2)[C@H]2CCC[C@H]2CN3)C1 ZINC000232571751 541505214 /nfs/dbraw/zinc/50/52/14/541505214.db2.gz ZBENSINPCIKVIE-UWVGGRQHSA-N 0 0 218.304 2.312 10 0 BEAERN Cc1cc(N)nn1COCCC(C)(C)C ZINC000328133340 541505272 /nfs/dbraw/zinc/50/52/72/541505272.db2.gz XFIIDGWMWGTVMD-UHFFFAOYSA-N 0 0 211.309 2.184 10 0 BEAERN COC(=O)[C@H]1COc2c1cc(Cl)cc2F ZINC000685951992 541497529 /nfs/dbraw/zinc/49/75/29/541497529.db2.gz NWOWIGUVUPZPAF-ZETCQYMHSA-N 0 0 230.622 2.128 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CC(C)(C)C[C@@H]2C ZINC000233967542 541510254 /nfs/dbraw/zinc/51/02/54/541510254.db2.gz FRNCQSFJBCZYLO-HOTUBEGUSA-N 0 0 212.289 2.143 10 0 BEAERN CCc1cnn2c1NCC[C@@H]2c1nccs1 ZINC000234188017 541510666 /nfs/dbraw/zinc/51/06/66/541510666.db2.gz AWWJROVNQKMMLZ-SECBINFHSA-N 0 0 234.328 2.307 10 0 BEAERN CC[C@H]1[C@H](C)CNc2nc(C(C)C)nn21 ZINC000234082802 541510702 /nfs/dbraw/zinc/51/07/02/541510702.db2.gz MBUPMECDYVJNFE-BDAKNGLRSA-N 0 0 208.309 2.414 10 0 BEAERN CCc1nc2n(n1)[C@H](C1CCCC1)CCN2 ZINC000234202952 541511907 /nfs/dbraw/zinc/51/19/07/541511907.db2.gz LDXPCBSBQQWXBV-JTQLQIEISA-N 0 0 220.320 2.387 10 0 BEAERN CCOC(=O)[C@@H](O)C1=CCCCCCC1 ZINC000233690768 541508668 /nfs/dbraw/zinc/50/86/68/541508668.db2.gz XASJKHWPFAYNBK-NSHDSACASA-N 0 0 212.289 2.191 10 0 BEAERN CC[C@@H]1[C@@H](C)CNc2nc(C(C)C)nn21 ZINC000233929072 541509694 /nfs/dbraw/zinc/50/96/94/541509694.db2.gz MBUPMECDYVJNFE-DTWKUNHWSA-N 0 0 208.309 2.414 10 0 BEAERN CCOC(=O)[C@@H](CC)C(=O)[C@@H]1CC1(C)C ZINC000233693905 541509717 /nfs/dbraw/zinc/50/97/17/541509717.db2.gz FYYWUVMOMFNMHS-IUCAKERBSA-N 0 0 212.289 2.191 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC(C)(C)C1 ZINC000183439245 367022382 /nfs/dbraw/zinc/02/23/82/367022382.db2.gz PPBHQLYRIMMDLX-VXGBXAGGSA-N 0 0 239.359 2.308 10 0 BEAERN CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccsc1 ZINC000382104133 367485915 /nfs/dbraw/zinc/48/59/15/367485915.db2.gz JRNAQWTUIGPHFF-GHMZBOCLSA-N 0 0 238.356 2.067 10 0 BEAERN CC[N@@H+](CC(=O)[O-])C[C@H]1CCCCC1(F)F ZINC000381560159 367431431 /nfs/dbraw/zinc/43/14/31/367431431.db2.gz WGYZYMAFADGRHZ-SECBINFHSA-N 0 0 235.274 2.218 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CCCSC1 ZINC000384166351 367674167 /nfs/dbraw/zinc/67/41/67/367674167.db2.gz STGLECVANKTRAC-SECBINFHSA-N 0 0 217.334 2.264 10 0 BEAERN CC[C@@H]1SCCS[C@H]1C(=N)OC ZINC000252723986 367896136 /nfs/dbraw/zinc/89/61/36/367896136.db2.gz WBEYZNYVBNRVRC-NKWVEPMBSA-N 0 0 205.348 2.237 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000527391727 367998364 /nfs/dbraw/zinc/99/83/64/367998364.db2.gz MYELHZZDILSYBL-JTQLQIEISA-N 0 0 249.310 2.387 10 0 BEAERN Cc1csc(C[C@H](O)[C@H]2CCSC2)n1 ZINC000161379592 368138705 /nfs/dbraw/zinc/13/87/05/368138705.db2.gz MWQANHOPLNSYMR-IUCAKERBSA-N 0 0 229.370 2.108 10 0 BEAERN CC(C)C1=NN(Cc2ccccc2)C(=O)C1N ZINC000130763414 368143472 /nfs/dbraw/zinc/14/34/72/368143472.db2.gz QZBFIEPZTGUVLQ-UHFFFAOYSA-N 0 0 231.299 2.343 10 0 BEAERN C[N@H+](Cc1ccccn1)C1(C(=O)[O-])CCCCC1 ZINC000041878165 368294784 /nfs/dbraw/zinc/29/47/84/368294784.db2.gz FQUKFYCEDQCEFI-UHFFFAOYSA-N 0 0 248.326 2.301 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H]1c1ccc(OC(C)=O)cc1 ZINC000196056402 368307928 /nfs/dbraw/zinc/30/79/28/368307928.db2.gz VQKGWNLYJQITLV-QWHCGFSZSA-N 0 0 248.278 2.279 10 0 BEAERN Brc1ccn(-c2cccnc2)n1 ZINC000169187956 368308126 /nfs/dbraw/zinc/30/81/26/368308126.db2.gz AHFSEQPINGKCIQ-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Cc1ccc(-n2nc(C(C)(C)CO)cc2N)cc1 ZINC000038272781 368325134 /nfs/dbraw/zinc/32/51/34/368325134.db2.gz XBKFIUGZCJHHOZ-UHFFFAOYSA-N 0 0 245.326 2.033 10 0 BEAERN O=C(C[C@H]1CCCOC1=O)c1ccccc1 ZINC000038812836 368326619 /nfs/dbraw/zinc/32/66/19/368326619.db2.gz UNZLQQXFVCBUDW-LLVKDONJSA-N 0 0 218.252 2.213 10 0 BEAERN CC(C)(C)c1ccc(COCCO)cc1 ZINC000038951744 368327464 /nfs/dbraw/zinc/32/74/64/368327464.db2.gz ARDJVFFTYZOYNR-UHFFFAOYSA-N 0 0 208.301 2.493 10 0 BEAERN Nc1ccc(-c2ccc(F)cc2F)nc1N ZINC000059825467 368335927 /nfs/dbraw/zinc/33/59/27/368335927.db2.gz USGKXDSMLGAMTN-UHFFFAOYSA-N 0 0 221.210 2.191 10 0 BEAERN COC(=O)[C@@H](C)n1ccc2ccccc21 ZINC000118244797 368344258 /nfs/dbraw/zinc/34/42/58/368344258.db2.gz DJCGSEITTHKCGI-SECBINFHSA-N 0 0 203.241 2.375 10 0 BEAERN COC(=O)COc1ccc(-n2cccc2)cc1 ZINC000137283018 368345375 /nfs/dbraw/zinc/34/53/75/368345375.db2.gz VRNRBKZZWAUUKI-UHFFFAOYSA-N 0 0 231.251 2.029 10 0 BEAERN Cc1c[nH]c2nc(C)c(Br)nc12 ZINC000148368655 368350790 /nfs/dbraw/zinc/35/07/90/368350790.db2.gz PPXHJSCPDVZTJU-UHFFFAOYSA-N 0 0 226.077 2.337 10 0 BEAERN CCOC(=O)c1ncc(OCC)cc1OCC ZINC000147467117 368351053 /nfs/dbraw/zinc/35/10/53/368351053.db2.gz MLHKTPXWUUQCMO-UHFFFAOYSA-N 0 0 239.271 2.056 10 0 BEAERN CCOP(=O)(CC(=O)n1cccc1)OCC ZINC000223559495 368364644 /nfs/dbraw/zinc/36/46/44/368364644.db2.gz ILFGYDNJAFNNMQ-UHFFFAOYSA-N 0 0 245.215 2.394 10 0 BEAERN CC1=C/C(=N\NC(N)=O)C[C@H](c2ccco2)C1 ZINC000032107025 368374949 /nfs/dbraw/zinc/37/49/49/368374949.db2.gz FROVHEGMFXAQLW-QFPXSISXSA-N 0 0 233.271 2.128 10 0 BEAERN C[C@@]1([C@@H](O)CC2CC2)CCCCC12OCCO2 ZINC000048523858 368377507 /nfs/dbraw/zinc/37/75/07/368377507.db2.gz TXBAEXBNXIEOGD-STQMWFEESA-N 0 0 240.343 2.471 10 0 BEAERN CCN1C(=O)c2ccccc2[C@@]1(O)C(C)(C)C ZINC000048523036 368377509 /nfs/dbraw/zinc/37/75/09/368377509.db2.gz VEJIHQQARLZGCT-CQSZACIVSA-N 0 0 233.311 2.354 10 0 BEAERN CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)C1 ZINC000048552878 368379564 /nfs/dbraw/zinc/37/95/64/368379564.db2.gz RDCTUDLJXUTCTM-NSHDSACASA-N 0 0 231.295 2.340 10 0 BEAERN CSCC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000045417734 368426404 /nfs/dbraw/zinc/42/64/04/368426404.db2.gz NWTPLNNGTGDZCP-DTWKUNHWSA-N 0 0 201.335 2.044 10 0 BEAERN CC(=O)N[C@H]1CCOc2c(C)cc(C)cc21 ZINC000060335363 368537672 /nfs/dbraw/zinc/53/76/72/368537672.db2.gz FCDWBULDOFGYCG-LBPRGKRZSA-N 0 0 219.284 2.263 10 0 BEAERN COc1cccc(N2CCC3(CC2)OCCO3)c1 ZINC000082040126 368633096 /nfs/dbraw/zinc/63/30/96/368633096.db2.gz DEKBLYHSBBEQPR-UHFFFAOYSA-N 0 0 249.310 2.039 10 0 BEAERN CCc1oc(C(=O)N[C@@H]2C[C@@H]2C)cc1C ZINC000154052917 326127332 /nfs/dbraw/zinc/12/73/32/326127332.db2.gz MQNNSEWIXWDVIU-IONNQARKSA-N 0 0 207.273 2.289 10 0 BEAERN CCOC(=O)C(CC(C)(C)C)C(=O)OCC ZINC000001696504 368682277 /nfs/dbraw/zinc/68/22/77/368682277.db2.gz LPTRPYKRNYNINY-UHFFFAOYSA-N 0 0 230.304 2.165 10 0 BEAERN CCN(CC)C(=O)Oc1cccc(C=O)c1 ZINC000083332674 368763779 /nfs/dbraw/zinc/76/37/79/368763779.db2.gz YVXYBUJATVDZAI-UHFFFAOYSA-N 0 0 221.256 2.340 10 0 BEAERN O=C1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000083722921 368809016 /nfs/dbraw/zinc/80/90/16/368809016.db2.gz UHWKEQCYJABUBN-UHFFFAOYSA-N 0 0 203.216 2.365 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)C1CCC(=O)CC1 ZINC000074225110 368833802 /nfs/dbraw/zinc/83/38/02/368833802.db2.gz AMHCYOVHGAHOFS-ZYHUDNBSSA-N 0 0 223.316 2.051 10 0 BEAERN CC[C@@H](C)CS(=O)(=O)N[C@H](C)C(C)(C)C ZINC000113292716 368889208 /nfs/dbraw/zinc/88/92/08/368889208.db2.gz LPLYMGZDAOIVGS-NXEZZACHSA-N 0 0 235.393 2.387 10 0 BEAERN COc1cc(N)ccc1OCC[C@@H]1CCCO1 ZINC000087245407 368890052 /nfs/dbraw/zinc/89/00/52/368890052.db2.gz AMZPZPCCXRKGJI-NSHDSACASA-N 0 0 237.299 2.225 10 0 BEAERN CN(C)c1ccc([C@H](O)Cc2ccncc2)cc1 ZINC000088527346 368915855 /nfs/dbraw/zinc/91/58/55/368915855.db2.gz HLBDJQJQMWFCAR-OAHLLOKOSA-N 0 0 242.322 2.424 10 0 BEAERN CCc1nc(CN[C@H](C)C(C)(C)C)no1 ZINC000114473984 368941215 /nfs/dbraw/zinc/94/12/15/368941215.db2.gz GQMRHUTVUNRBJH-MRVPVSSYSA-N 0 0 211.309 2.156 10 0 BEAERN C[C@@H](NCc1noc(C2CC2)n1)C(C)(C)C ZINC000114474338 368941463 /nfs/dbraw/zinc/94/14/63/368941463.db2.gz COMVXXOYNYBXEX-MRVPVSSYSA-N 0 0 223.320 2.471 10 0 BEAERN Fc1cccc(C2N=NC(=S)N2)c1F ZINC000054210422 369062161 /nfs/dbraw/zinc/06/21/61/369062161.db2.gz OJCVHCSAWSVXCI-UHFFFAOYSA-N 0 0 213.212 2.039 10 0 BEAERN CC(C)n1nc(-c2cccnc2)cc1NC=O ZINC000616220726 369063874 /nfs/dbraw/zinc/06/38/74/369063874.db2.gz SJKOVHSJAZJWQR-UHFFFAOYSA-N 0 0 230.271 2.094 10 0 BEAERN Cc1cc(C=O)nc(-c2cccs2)n1 ZINC000054830555 369102414 /nfs/dbraw/zinc/10/24/14/369102414.db2.gz GUSAGNGITQQAEE-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CCCCNc1nc(N)cc(Br)n1 ZINC000161447874 369091818 /nfs/dbraw/zinc/09/18/18/369091818.db2.gz DKQFTVSJUGELSI-UHFFFAOYSA-N 0 0 245.124 2.033 10 0 BEAERN CC(C)N1c2ccccc2NC[C@@H]1c1nc[nH]n1 ZINC000616584841 369096972 /nfs/dbraw/zinc/09/69/72/369096972.db2.gz JOYKKPLSCWGMLU-GFCCVEGCSA-N 0 0 243.314 2.186 10 0 BEAERN Cc1cc(CO)nc(C2CCCCC2)n1 ZINC000054830302 369102111 /nfs/dbraw/zinc/10/21/11/369102111.db2.gz IMAXAOWLPFPGCJ-UHFFFAOYSA-N 0 0 206.289 2.325 10 0 BEAERN CCc1nc(N2CCSCC2)sc1C=O ZINC000054967195 369117908 /nfs/dbraw/zinc/11/79/08/369117908.db2.gz MBSGBHYVPIRVQO-UHFFFAOYSA-N 0 0 242.369 2.071 10 0 BEAERN Clc1cc([C@H]2CO2)cc2c1OCCO2 ZINC000055026965 369122740 /nfs/dbraw/zinc/12/27/40/369122740.db2.gz XVDXZRJXOSFNOX-SECBINFHSA-N 0 0 212.632 2.183 10 0 BEAERN Cc1cncc([C@H](O)[C@H]2CCSC2)c1 ZINC000161494801 369122783 /nfs/dbraw/zinc/12/27/83/369122783.db2.gz BDKWZZHKKZGJMO-GXSJLCMTSA-N 0 0 209.314 2.177 10 0 BEAERN CC(=O)c1cnc(N2CC[C@H](C)C2)s1 ZINC000054862640 369105751 /nfs/dbraw/zinc/10/57/51/369105751.db2.gz GJFAYJCLQICJGD-ZETCQYMHSA-N 0 0 210.302 2.192 10 0 BEAERN CC(=O)c1cnc(N2CC[C@@H](C)C2)s1 ZINC000054862639 369106331 /nfs/dbraw/zinc/10/63/31/369106331.db2.gz GJFAYJCLQICJGD-SSDOTTSWSA-N 0 0 210.302 2.192 10 0 BEAERN C[C@@H](O)c1cnc(N2CCCCC2)s1 ZINC000054910483 369109890 /nfs/dbraw/zinc/10/98/90/369109890.db2.gz JOMGBWUMNIIMCA-MRVPVSSYSA-N 0 0 212.318 2.187 10 0 BEAERN CC[C@H]1CCCN1c1ncc(CO)s1 ZINC000054910111 369110300 /nfs/dbraw/zinc/11/03/00/369110300.db2.gz SFLBRRCEXVPCEE-QMMMGPOBSA-N 0 0 212.318 2.014 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1c1cocn1 ZINC000616691746 369114570 /nfs/dbraw/zinc/11/45/70/369114570.db2.gz MVZIZMMPZIBFNI-CQSZACIVSA-N 0 0 242.278 2.169 10 0 BEAERN Cc1csc(Cc2ncc(C=O)s2)n1 ZINC000055269574 369168764 /nfs/dbraw/zinc/16/87/64/369168764.db2.gz DNUHUCKCPMLZKK-UHFFFAOYSA-N 0 0 224.310 2.311 10 0 BEAERN COc1ccc(F)cc1[C@@H]1CCC[C@@H]1O ZINC000134191763 259536290 /nfs/dbraw/zinc/53/62/90/259536290.db2.gz CUVDNZLWSOKJAJ-ONGXEEELSA-N 0 0 210.248 2.463 10 0 BEAERN CC[C@H](CSC)NC(=O)N[C@@H](C)C(C)C ZINC000091597151 369467054 /nfs/dbraw/zinc/46/70/54/369467054.db2.gz HNPRDUKQUPXGSV-VHSXEESVSA-N 0 0 232.393 2.472 10 0 BEAERN C[C@H]1C[C@@H](c2nnc(Cl)s2)CO1 ZINC000161679494 370961098 /nfs/dbraw/zinc/96/10/98/370961098.db2.gz IQQKMGBPDAVBRR-CRCLSJGQSA-N 0 0 204.682 2.084 10 0 BEAERN CC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(C)C ZINC000619652719 369508121 /nfs/dbraw/zinc/50/81/21/369508121.db2.gz NYFKHDBXFHTMGE-LLVKDONJSA-N 0 0 249.358 2.453 10 0 BEAERN CN1c2ccccc2NC[C@@H]1C(F)(F)F ZINC000215414264 370962249 /nfs/dbraw/zinc/96/22/49/370962249.db2.gz GBMIPIPJZASSPS-SECBINFHSA-N 0 0 216.206 2.479 10 0 BEAERN CCCCN(C)c1nc2ccccn2c1CO ZINC000035433675 168787658 /nfs/dbraw/zinc/78/76/58/168787658.db2.gz OCVDPQFWJHXKAE-UHFFFAOYSA-N 0 0 233.315 2.063 10 0 BEAERN O=C(NC[C@H]1CCCS1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250983806 369631702 /nfs/dbraw/zinc/63/17/02/369631702.db2.gz BQEMQJLVEFGNKW-LMLFDSFASA-N 0 0 225.357 2.044 10 0 BEAERN Clc1n[nH]c2cc(Br)ncc12 ZINC000514253597 369712067 /nfs/dbraw/zinc/71/20/67/369712067.db2.gz QAXWOIQGCFPMSN-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN CCCC[C@H](CC)C(=O)NC1CC(CO)C1 ZINC000620887234 370042898 /nfs/dbraw/zinc/04/28/98/370042898.db2.gz SMRUQNZEPYROMI-CXQJBGSLSA-N 0 0 227.348 2.090 10 0 BEAERN CCOC(=O)C1=C(O)CCC2(CC(C)C2)C1 ZINC000205981987 370062520 /nfs/dbraw/zinc/06/25/20/370062520.db2.gz LVIKDZXFUDJUGV-QUNCOHTASA-N 0 0 224.300 2.335 10 0 BEAERN Cc1nc([C@@H](C)NCc2nccnc2C)cs1 ZINC000621334609 370268560 /nfs/dbraw/zinc/26/85/60/370268560.db2.gz MCLGFJKSJBUYOP-SECBINFHSA-N 0 0 248.355 2.401 10 0 BEAERN CSC[C@H](C)NC(=O)N[C@H](C)C(C)C ZINC000077338359 370411374 /nfs/dbraw/zinc/41/13/74/370411374.db2.gz POHIAVFCBJFITH-DTWKUNHWSA-N 0 0 218.366 2.082 10 0 BEAERN CSC[C@@H](C)NC(=O)N[C@H](C)C(C)C ZINC000077338366 370412073 /nfs/dbraw/zinc/41/20/73/370412073.db2.gz POHIAVFCBJFITH-RKDXNWHRSA-N 0 0 218.366 2.082 10 0 BEAERN CCc1ccc(CCNC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000077661669 370450434 /nfs/dbraw/zinc/45/04/34/370450434.db2.gz UENMWUVUGIILDR-SMDDNHRTSA-N 0 0 246.354 2.499 10 0 BEAERN CSCCCNC(=O)N[C@H](C)C(C)C ZINC000077667863 370451007 /nfs/dbraw/zinc/45/10/07/370451007.db2.gz BWIJLYWGYJFGPF-SECBINFHSA-N 0 0 218.366 2.083 10 0 BEAERN C[C@H]1CCS[C@H](c2cncs2)N1 ZINC000161611494 370603118 /nfs/dbraw/zinc/60/31/18/370603118.db2.gz JVFUESDXKXMOIN-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1CCS[C@@H](c2cncs2)N1 ZINC000161611626 370603210 /nfs/dbraw/zinc/60/32/10/370603210.db2.gz JVFUESDXKXMOIN-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1CCS[C@H](c2cncs2)N1 ZINC000161611365 370603292 /nfs/dbraw/zinc/60/32/92/370603292.db2.gz JVFUESDXKXMOIN-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN Cc1oc2ncnc(NC(=O)[C@H]3C[C@@H]3C)c2c1C ZINC000118198507 370998880 /nfs/dbraw/zinc/99/88/80/370998880.db2.gz GYNNKSPKWOUABS-RCOVLWMOSA-N 0 0 245.282 2.434 10 0 BEAERN CC(=O)N(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1C ZINC000118260539 371005875 /nfs/dbraw/zinc/00/58/75/371005875.db2.gz JRBNYCXONYIPDY-MWLCHTKSSA-N 0 0 246.310 2.264 10 0 BEAERN NN1CCC[C@H]1c1ccccc1Br ZINC000077387101 181510662 /nfs/dbraw/zinc/51/06/62/181510662.db2.gz GNZSNHCVRWULJL-JTQLQIEISA-N 0 0 241.132 2.460 10 0 BEAERN CC(C)CO[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000019269263 371129891 /nfs/dbraw/zinc/12/98/91/371129891.db2.gz SBSSDUSTLRVOOI-SNVBAGLBSA-N 0 0 236.315 2.268 10 0 BEAERN NN=c1[nH]c2cc(Br)cc(F)c2o1 ZINC000062534560 181520459 /nfs/dbraw/zinc/52/04/59/181520459.db2.gz YTSMUZZVMHRGEF-UHFFFAOYSA-N 0 0 246.039 2.015 10 0 BEAERN CCC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000163626646 326403996 /nfs/dbraw/zinc/40/39/96/326403996.db2.gz IMEXWBMUCVLRSH-VHSXEESVSA-N 0 0 228.336 2.042 10 0 BEAERN N[C@@H](c1ccco1)c1ccc2c(c1)OCCCO2 ZINC000035081511 181631957 /nfs/dbraw/zinc/63/19/57/181631957.db2.gz VHZHWALXKNISHZ-CQSZACIVSA-N 0 0 245.278 2.489 10 0 BEAERN Nc1c(Cl)ncnc1N1CCCCCC1 ZINC000040571725 181668218 /nfs/dbraw/zinc/66/82/18/181668218.db2.gz BAVKCPSPKRSMGB-UHFFFAOYSA-N 0 0 226.711 2.093 10 0 BEAERN Nc1c(N[C@@H]2CCCOC2)ccc2ncccc21 ZINC000103960305 181671141 /nfs/dbraw/zinc/67/11/41/181671141.db2.gz PDHOEVJCDPUDBC-SNVBAGLBSA-N 0 0 243.310 2.408 10 0 BEAERN Nc1c[nH]c(C(=O)OCC2CCCCC2)c1 ZINC000052146583 181673535 /nfs/dbraw/zinc/67/35/35/181673535.db2.gz BWWSLFFHHBWJIY-UHFFFAOYSA-N 0 0 222.288 2.334 10 0 BEAERN Nc1cc(-c2cccs2)nn1[C@H]1CCC[C@@H]1O ZINC000054599698 181675010 /nfs/dbraw/zinc/67/50/10/181675010.db2.gz CCTASJMIXYLJHO-UWVGGRQHSA-N 0 0 249.339 2.280 10 0 BEAERN Nc1cc(-c2nnnn2C2CCC2)ccc1Cl ZINC000052213668 181675141 /nfs/dbraw/zinc/67/51/41/181675141.db2.gz NZCPLYACJPRBOP-UHFFFAOYSA-N 0 0 249.705 2.301 10 0 BEAERN Nc1cc(-c2nc(C3CC3)no2)c(F)cc1F ZINC000037605934 181675431 /nfs/dbraw/zinc/67/54/31/181675431.db2.gz YQEFXYCZDWDZLR-UHFFFAOYSA-N 0 0 237.209 2.474 10 0 BEAERN Nc1cc(F)c(F)cc1-c1nc2cc[nH]cc-2n1 ZINC000071166685 181685066 /nfs/dbraw/zinc/68/50/66/181685066.db2.gz XDBPROIIFPLEFM-UHFFFAOYSA-N 0 0 246.220 2.485 10 0 BEAERN Nc1cc(Cl)ccc1SCCO ZINC000019966604 181685125 /nfs/dbraw/zinc/68/51/25/181685125.db2.gz PEKULRYZAKHDKP-UHFFFAOYSA-N 0 0 203.694 2.007 10 0 BEAERN Nc1cc(F)cc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000051999966 181685726 /nfs/dbraw/zinc/68/57/26/181685726.db2.gz XCYZTUHCXJZSKT-VXGBXAGGSA-N 0 0 224.279 2.123 10 0 BEAERN Nc1ccc(F)c(C(=O)OC2CCC2)c1 ZINC000050929300 181710453 /nfs/dbraw/zinc/71/04/53/181710453.db2.gz ZJQBAGQXYPZOMG-UHFFFAOYSA-N 0 0 209.220 2.117 10 0 BEAERN Nc1cccc(C(=O)c2ccc3c(c2)OCO3)c1 ZINC000041284636 181741695 /nfs/dbraw/zinc/74/16/95/181741695.db2.gz VTWUDRGUKLEKCH-UHFFFAOYSA-N 0 0 241.246 2.229 10 0 BEAERN Nc1cccc(CCC(=O)N2C[C@@H]3CC[C@H]2C3)c1 ZINC000049725088 181741756 /nfs/dbraw/zinc/74/17/56/181741756.db2.gz SSTQBRIPYQOVKL-OCCSQVGLSA-N 0 0 244.338 2.212 10 0 BEAERN Nc1cccc(CCC(=O)N2CCCCC2)c1 ZINC000020186902 181741801 /nfs/dbraw/zinc/74/18/01/181741801.db2.gz QZGIOUMRMSWTAB-UHFFFAOYSA-N 0 0 232.327 2.214 10 0 BEAERN Nc1cccc(F)c1COCC1CCOCC1 ZINC000104055020 181744674 /nfs/dbraw/zinc/74/46/74/181744674.db2.gz LDJZFILFFXLIDA-UHFFFAOYSA-N 0 0 239.290 2.351 10 0 BEAERN Nc1cccc(Cl)c1NCCn1cccn1 ZINC000042539427 181744987 /nfs/dbraw/zinc/74/49/87/181744987.db2.gz QJDAKKJGMMJNKU-UHFFFAOYSA-N 0 0 236.706 2.231 10 0 BEAERN Nc1cccc(NC2(CO)CCCCC2)c1 ZINC000053113881 181745820 /nfs/dbraw/zinc/74/58/20/181745820.db2.gz PTNABRQYXBXFEC-UHFFFAOYSA-N 0 0 220.316 2.376 10 0 BEAERN Nc1ccc(Sc2nc[nH]n2)c2ncccc12 ZINC000035342310 181725116 /nfs/dbraw/zinc/72/51/16/181725116.db2.gz AHWODHVGDZKTMT-UHFFFAOYSA-N 0 0 243.295 2.086 10 0 BEAERN CCOc1cccc2c1NC(=O)CS2 ZINC000161728678 371556476 /nfs/dbraw/zinc/55/64/76/371556476.db2.gz STTMILVTKBCZEV-UHFFFAOYSA-N 0 0 209.270 2.130 10 0 BEAERN Nc1cnc(Sc2ccc(F)c(F)c2)nc1 ZINC000040456247 181768891 /nfs/dbraw/zinc/76/88/91/181768891.db2.gz JRKBMDDBMBKSFG-UHFFFAOYSA-N 0 0 239.250 2.488 10 0 BEAERN Cc1cc(Br)cc2nc(C=O)[nH]c21 ZINC000126587759 371538572 /nfs/dbraw/zinc/53/85/72/371538572.db2.gz KZAJHMAYMKWVNW-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN Nc1cnccc1SCc1cscn1 ZINC000037190051 181771182 /nfs/dbraw/zinc/77/11/82/181771182.db2.gz LZSRRYJIDXFINK-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN O=C(c1ccncc1F)C(F)(F)Cl ZINC000157403872 371549356 /nfs/dbraw/zinc/54/93/56/371549356.db2.gz IEIUEEWXIXSVJD-UHFFFAOYSA-N 0 0 209.554 2.235 10 0 BEAERN O=C1C[C@H](OCC(F)F)C12CCCC2 ZINC000131064038 371552994 /nfs/dbraw/zinc/55/29/94/371552994.db2.gz AKOWAMUYGOUXFD-QMMMGPOBSA-N 0 0 204.216 2.170 10 0 BEAERN Nc1ccnc(-c2ccc(Cl)s2)n1 ZINC000050867225 181762525 /nfs/dbraw/zinc/76/25/25/181762525.db2.gz WGWNTRWONWSBQF-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@H](C(=O)Nc1ccnc(Cl)n1)C1CC1 ZINC000161787992 371564402 /nfs/dbraw/zinc/56/44/02/371564402.db2.gz ONNDMFUNEQKLGU-LURJTMIESA-N 0 0 225.679 2.115 10 0 BEAERN O[C@H](c1cccs1)c1ncccc1F ZINC000131198456 371569289 /nfs/dbraw/zinc/56/92/89/371569289.db2.gz YYIZZFPFCYPVQD-SNVBAGLBSA-N 0 0 209.245 2.364 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000225734083 371572928 /nfs/dbraw/zinc/57/29/28/371572928.db2.gz IJFGSRTVWXCKBM-OUAUKWLOSA-N 0 0 213.321 2.216 10 0 BEAERN Cc1cc(-c2nnc(Br)o2)co1 ZINC000161908270 371580158 /nfs/dbraw/zinc/58/01/58/371580158.db2.gz KQWSKFOCBRDZJM-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN C[C@H]1C[C@@H](C(=O)Cc2ccsc2)CO1 ZINC000162111297 371612369 /nfs/dbraw/zinc/61/23/69/371612369.db2.gz CWWNZYFHURVIBX-WCBMZHEXSA-N 0 0 210.298 2.285 10 0 BEAERN Cc1nc(-c2ccc(C)nc2)c(N)s1 ZINC000162351712 371663825 /nfs/dbraw/zinc/66/38/25/371663825.db2.gz IFKBXCJAYWULHR-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN C[C@@H]1CC[N@@H+]1[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000226286589 371638435 /nfs/dbraw/zinc/63/84/35/371638435.db2.gz QVJKTRYKRBOBMM-FOGDFJRCSA-N 0 0 211.305 2.114 10 0 BEAERN COc1cc(N)cc(C)c1Br ZINC000215835686 371641897 /nfs/dbraw/zinc/64/18/97/371641897.db2.gz XLQNAUSVPNICSA-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN Nc1nc(Cl)nc(-c2ccc(Cl)cc2)n1 ZINC000002034733 181784256 /nfs/dbraw/zinc/78/42/56/181784256.db2.gz PTDQYZRLXFKHMM-UHFFFAOYSA-N 0 0 241.081 2.428 10 0 BEAERN O=c1cc[nH]n1-c1c(F)cccc1Cl ZINC000131909181 371710075 /nfs/dbraw/zinc/71/00/75/371710075.db2.gz DRQCSMGSMQWTRR-UHFFFAOYSA-N 0 0 212.611 2.202 10 0 BEAERN CC[C@@H](NO)c1ccc(OC)c(OC)c1 ZINC000132013742 371742041 /nfs/dbraw/zinc/74/20/41/371742041.db2.gz XDPYPQXQLVVZEO-SECBINFHSA-N 0 0 211.261 2.134 10 0 BEAERN C[C@@H](NO)c1ccc(OC(F)F)cc1 ZINC000131957095 371726551 /nfs/dbraw/zinc/72/65/51/371726551.db2.gz HSBNNXWHDQSOLG-ZCFIWIBFSA-N 0 0 203.188 2.328 10 0 BEAERN Nc1nc2ncncc2cc1-c1ccccc1 ZINC000027308508 181795537 /nfs/dbraw/zinc/79/55/37/181795537.db2.gz KJBXWUQUAMUSNM-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN Nc1nc2scc(-c3cccs3)n2n1 ZINC000031891292 181795581 /nfs/dbraw/zinc/79/55/81/181795581.db2.gz PIJAYCOPMJENTC-UHFFFAOYSA-N 0 0 222.298 2.102 10 0 BEAERN CCN(c1ncc(N)s1)C1CCCC1 ZINC000226729261 371730875 /nfs/dbraw/zinc/73/08/75/371730875.db2.gz WKXBHTCWSSTMHW-UHFFFAOYSA-N 0 0 211.334 2.494 10 0 BEAERN CC(C)[C@H]1CCCN1c1ncc(N)s1 ZINC000226746164 371735498 /nfs/dbraw/zinc/73/54/98/371735498.db2.gz GSERNDICPWRVRR-MRVPVSSYSA-N 0 0 211.334 2.350 10 0 BEAERN Nc1cnc(NC[C@H]2CCCS2)s1 ZINC000226748475 371735740 /nfs/dbraw/zinc/73/57/40/371735740.db2.gz ARRIADJDMDDGPH-ZCFIWIBFSA-N 0 0 215.347 2.033 10 0 BEAERN C[C@H](Nc1cnn(C)c1)c1cncs1 ZINC000162457758 371688713 /nfs/dbraw/zinc/68/87/13/371688713.db2.gz JUCREGFVNZEKQY-ZETCQYMHSA-N 0 0 208.290 2.050 10 0 BEAERN C[C@@H](CO)Sc1cccc(Cl)n1 ZINC000162482050 371696322 /nfs/dbraw/zinc/69/63/22/371696322.db2.gz COCKWLSNWJNYBA-LURJTMIESA-N 0 0 203.694 2.208 10 0 BEAERN Cc1cc(N)cc(C(=O)c2cc[nH]c2)c1 ZINC000132018224 371738455 /nfs/dbraw/zinc/73/84/55/371738455.db2.gz DZUKFYOXWDDOCH-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN COc1ccc([C@@H](C)NO)cc1Br ZINC000132026639 371743674 /nfs/dbraw/zinc/74/36/74/371743674.db2.gz BFRXYZWAAAMKQY-ZCFIWIBFSA-N 0 0 246.104 2.498 10 0 BEAERN O=C(NCC[C@H]1CCCO1)N1CCCCCC1 ZINC000132030856 371744455 /nfs/dbraw/zinc/74/44/55/371744455.db2.gz QASZTLURSBASAM-GFCCVEGCSA-N 0 0 240.347 2.141 10 0 BEAERN C[C@@H]1CC[C@@H](O)[C@@H](Cc2cncs2)C1 ZINC000226782293 371744845 /nfs/dbraw/zinc/74/48/45/371744845.db2.gz IPHKZLWICSYNIW-FXPVBKGRSA-N 0 0 211.330 2.483 10 0 BEAERN C[C@H](CO)SCC(=O)c1ccc(F)cc1 ZINC000162681100 371746404 /nfs/dbraw/zinc/74/64/04/371746404.db2.gz ZLYOZGFNGNYOMZ-MRVPVSSYSA-N 0 0 228.288 2.122 10 0 BEAERN ONCc1nc(-c2ccccc2)cs1 ZINC000132098358 371751403 /nfs/dbraw/zinc/75/14/03/371751403.db2.gz GXVWWBVFRWNWRO-UHFFFAOYSA-N 0 0 206.270 2.289 10 0 BEAERN CC[C@@H]1Oc2c(Cl)ncnc2N[C@H]1C ZINC000132208289 371766336 /nfs/dbraw/zinc/76/63/36/371766336.db2.gz XFMHLMAXWMJJBE-WDSKDSINSA-N 0 0 213.668 2.101 10 0 BEAERN CC[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000227006713 371766399 /nfs/dbraw/zinc/76/63/99/371766399.db2.gz QGHBLFVVNOKYTK-KWQFWETISA-N 0 0 207.248 2.354 10 0 BEAERN Cc1cc(-c2nncn2C)ccc1Cl ZINC000132228976 371769472 /nfs/dbraw/zinc/76/94/72/371769472.db2.gz GTEWLYNGZCXIER-UHFFFAOYSA-N 0 0 207.664 2.444 10 0 BEAERN Cc1cnc(-c2nc(C)cc(Cl)n2)nc1 ZINC000132332200 371793662 /nfs/dbraw/zinc/79/36/62/371793662.db2.gz MCHWCDRISQZASJ-UHFFFAOYSA-N 0 0 220.663 2.204 10 0 BEAERN Cc1ccc2c(c1Br)NC(=O)C2 ZINC000132369881 371799569 /nfs/dbraw/zinc/79/95/69/371799569.db2.gz OOAPXQQZYJLMHQ-UHFFFAOYSA-N 0 0 226.073 2.252 10 0 BEAERN COc1nc2cc(Br)cc(N)c2o1 ZINC000132365265 371799819 /nfs/dbraw/zinc/79/98/19/371799819.db2.gz LCIUPCCMFHCTCZ-UHFFFAOYSA-N 0 0 243.060 2.181 10 0 BEAERN Nc1nnc(-c2cccc(OC(F)(F)F)c2)o1 ZINC000096283863 181812457 /nfs/dbraw/zinc/81/24/57/181812457.db2.gz CTXAKNKEPDTZNF-UHFFFAOYSA-N 0 0 245.160 2.217 10 0 BEAERN Cc1ccnc2c1NC(=O)C[C@@H](C)S2 ZINC000162703298 371824011 /nfs/dbraw/zinc/82/40/11/371824011.db2.gz NFWJXWORDPMLPE-SSDOTTSWSA-N 0 0 208.286 2.213 10 0 BEAERN Brc1nsc(C[C@H]2CCCO2)n1 ZINC000230109238 371850587 /nfs/dbraw/zinc/85/05/87/371850587.db2.gz WUZOKVXNGOZOFJ-RXMQYKEDSA-N 0 0 249.133 2.022 10 0 BEAERN C[C@H]1OCC[C@H]1c1nc(Br)ns1 ZINC000230109253 371851212 /nfs/dbraw/zinc/85/12/12/371851212.db2.gz NEZUJTMNIXVJGU-RFZPGFLSSA-N 0 0 249.133 2.193 10 0 BEAERN CO[C@@H](C)c1nc(Br)ns1 ZINC000230109329 371851224 /nfs/dbraw/zinc/85/12/24/371851224.db2.gz JMKXURAMGBJCEY-VKHMYHEASA-N 0 0 223.095 2.008 10 0 BEAERN Clc1nsc(Cc2cccnc2)n1 ZINC000230114337 371853702 /nfs/dbraw/zinc/85/37/02/371853702.db2.gz FBMUQWOXALTQRA-UHFFFAOYSA-N 0 0 211.677 2.177 10 0 BEAERN Fc1ccc(-c2nc(Cl)ns2)nc1 ZINC000230112837 371853795 /nfs/dbraw/zinc/85/37/95/371853795.db2.gz MFLLRBAUMUEIPL-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN C[C@]1(c2nc(Cl)ns2)CCCO1 ZINC000230113315 371853901 /nfs/dbraw/zinc/85/39/01/371853901.db2.gz KVUZAGABKYAWIB-SSDOTTSWSA-N 0 0 204.682 2.217 10 0 BEAERN C[C@H]1C[C@H](c2nc(Cl)ns2)CO1 ZINC000230113805 371853936 /nfs/dbraw/zinc/85/39/36/371853936.db2.gz FWYODXAPRVJVQP-WHFBIAKZSA-N 0 0 204.682 2.084 10 0 BEAERN C[C@@H](O)c1ccc(Br)cc1O ZINC000230137130 371858418 /nfs/dbraw/zinc/85/84/18/371858418.db2.gz QFCDBRJMXYPUIG-RXMQYKEDSA-N 0 0 217.062 2.208 10 0 BEAERN CC1CC(NC(=O)C(C)(C)Br)C1 ZINC000162863727 371871619 /nfs/dbraw/zinc/87/16/19/371871619.db2.gz HCSFJXMMLVPWMY-UHFFFAOYSA-N 0 0 234.137 2.075 10 0 BEAERN COc1c(F)ccc(Br)c1CO ZINC000216889938 371836684 /nfs/dbraw/zinc/83/66/84/371836684.db2.gz ARZMGCGROFIEBG-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN CO[C@H]1CNc2cccc(Cl)c2NC1 ZINC000227340485 371836831 /nfs/dbraw/zinc/83/68/31/371836831.db2.gz BIECRFPLSYMDJI-ZETCQYMHSA-N 0 0 212.680 2.192 10 0 BEAERN CSCCCc1nc(-c2ccncc2)no1 ZINC000132651012 371884716 /nfs/dbraw/zinc/88/47/16/371884716.db2.gz ZXOFWTJLJRXQST-UHFFFAOYSA-N 0 0 235.312 2.427 10 0 BEAERN CC(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227821987 371942531 /nfs/dbraw/zinc/94/25/31/371942531.db2.gz SASNTPKUGNGKSX-IONNQARKSA-N 0 0 223.238 2.238 10 0 BEAERN Cc1cnc(-c2noc(Cl)n2)c(C)c1 ZINC000227569040 371894992 /nfs/dbraw/zinc/89/49/92/371894992.db2.gz FODMNCCSECUZCU-UHFFFAOYSA-N 0 0 209.636 2.402 10 0 BEAERN CCOC(=O)Nc1cc(Br)ccn1 ZINC000227653984 371916059 /nfs/dbraw/zinc/91/60/59/371916059.db2.gz DOYCRPTUHFQCLK-UHFFFAOYSA-N 0 0 245.076 2.413 10 0 BEAERN CC1(C)COCCN1c1ccnc(Cl)c1 ZINC000227686250 371922077 /nfs/dbraw/zinc/92/20/77/371922077.db2.gz WTRGZVBAWRTOBU-UHFFFAOYSA-N 0 0 226.707 2.350 10 0 BEAERN CCc1cnccc1C(=O)c1ccco1 ZINC000132811597 371927240 /nfs/dbraw/zinc/92/72/40/371927240.db2.gz JGRAKZMIBSGAFI-UHFFFAOYSA-N 0 0 201.225 2.468 10 0 BEAERN CONCc1ccc(Br)c(C)c1 ZINC000133038540 371975823 /nfs/dbraw/zinc/97/58/23/371975823.db2.gz GYVLEZZTCOWOEX-UHFFFAOYSA-N 0 0 230.105 2.409 10 0 BEAERN CCCc1nc2c(C)cccn2c1C=O ZINC000228027017 371978201 /nfs/dbraw/zinc/97/82/01/371978201.db2.gz ONESFNIAHIHOIA-UHFFFAOYSA-N 0 0 202.257 2.408 10 0 BEAERN CCC[C@H](O)[C@@H]1SCCS[C@@H]1C ZINC000228090138 371988228 /nfs/dbraw/zinc/98/82/28/371988228.db2.gz MAFOUXRJEYTRHA-HRDYMLBCSA-N 0 0 206.376 2.385 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc(N)c1OC ZINC000217631346 371989074 /nfs/dbraw/zinc/98/90/74/371989074.db2.gz QGJIRQAQGIOPGJ-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN C[C@H]1SCC[C@H]1Nc1ncc(N)s1 ZINC000306378472 372015176 /nfs/dbraw/zinc/01/51/76/372015176.db2.gz GYTOMMBPRABRDX-PHDIDXHHSA-N 0 0 215.347 2.031 10 0 BEAERN C[C@H]1CCCN1c1nc(Cl)ccc1N ZINC000228441318 372029402 /nfs/dbraw/zinc/02/94/02/372029402.db2.gz MUOPFZJGRLLUJM-ZETCQYMHSA-N 0 0 211.696 2.306 10 0 BEAERN C[C@@H](c1nnc2cncc(Cl)n21)C1CC1 ZINC000163712366 372037365 /nfs/dbraw/zinc/03/73/65/372037365.db2.gz IWIJBGFARVWFLO-ZCFIWIBFSA-N 0 0 222.679 2.291 10 0 BEAERN Cc1noc(-c2cc(N)cc(Cl)c2)n1 ZINC000133410394 372041805 /nfs/dbraw/zinc/04/18/05/372041805.db2.gz RIBLSAQUTJAECJ-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN C[C@H](N[C@@H]1C[C@@H]2CC=C[C@H]12)C(F)(F)F ZINC000306601268 372045051 /nfs/dbraw/zinc/04/50/51/372045051.db2.gz UIZWUCYROXIMMU-XSPKLOCKSA-N 0 0 205.223 2.491 10 0 BEAERN CCCN1C(=S)N=NC1[C@H]1CCSC1 ZINC000228201372 372004158 /nfs/dbraw/zinc/00/41/58/372004158.db2.gz GWAVLKCSXQMATQ-ZETCQYMHSA-N 0 0 229.374 2.197 10 0 BEAERN O=C(Nc1cnc(Cl)cn1)c1cccs1 ZINC000231208856 372004272 /nfs/dbraw/zinc/00/42/72/372004272.db2.gz GWDZVEMWLXMMPU-UHFFFAOYSA-N 0 0 239.687 2.444 10 0 BEAERN O=C1NCCC[C@H]1CCc1ccsc1 ZINC000133789163 372111342 /nfs/dbraw/zinc/11/13/42/372111342.db2.gz YADIPQRAFRXALM-JTQLQIEISA-N 0 0 209.314 2.207 10 0 BEAERN FC1(F)CCC[C@H]1n1cnnc1Cl ZINC000307348658 372114414 /nfs/dbraw/zinc/11/44/14/372114414.db2.gz RGDCEPBJZFHFHU-RXMQYKEDSA-N 0 0 207.611 2.292 10 0 BEAERN CCc1occc1[C@@H](O)c1ccsn1 ZINC000307369641 372115347 /nfs/dbraw/zinc/11/53/47/372115347.db2.gz AGJHXVQHYCLUPI-SNVBAGLBSA-N 0 0 209.270 2.380 10 0 BEAERN Cc1cnc(Cl)cc1O[C@H]1CCOC1 ZINC000133505518 372065826 /nfs/dbraw/zinc/06/58/26/372065826.db2.gz QVRPLQQVMVPEDT-QMMMGPOBSA-N 0 0 213.664 2.211 10 0 BEAERN O=C(NCc1cc[nH]c1)c1ccoc1Cl ZINC000231724683 372073572 /nfs/dbraw/zinc/07/35/72/372073572.db2.gz JXGXJPMACABKAI-UHFFFAOYSA-N 0 0 224.647 2.191 10 0 BEAERN Cc1nn([C@H]2CCOC2)c(Cl)c1C ZINC000306906308 372077452 /nfs/dbraw/zinc/07/74/52/372077452.db2.gz YWSWTVSPIWKMOG-QMMMGPOBSA-N 0 0 200.669 2.115 10 0 BEAERN CNc1ccc(Br)nc1C ZINC000228799958 372081610 /nfs/dbraw/zinc/08/16/10/372081610.db2.gz SNPGDBPNYOTLNF-UHFFFAOYSA-N 0 0 201.067 2.194 10 0 BEAERN Cn1c(=O)cc(CCF)c2ccccc21 ZINC000606303926 372092815 /nfs/dbraw/zinc/09/28/15/372092815.db2.gz KCMWKJAFQVATDZ-UHFFFAOYSA-N 0 0 205.232 2.051 10 0 BEAERN COC(=O)CC(=O)C1CC(CC(C)C)C1 ZINC000606303912 372093079 /nfs/dbraw/zinc/09/30/79/372093079.db2.gz YKHCQZKXIGUONG-UHFFFAOYSA-N 0 0 212.289 2.191 10 0 BEAERN CC[C@@]1(C)C(=O)N[C@H]1c1csc(C)n1 ZINC000307443466 372120755 /nfs/dbraw/zinc/12/07/55/372120755.db2.gz AUMXQSICVOYTRD-WCBMZHEXSA-N 0 0 210.302 2.039 10 0 BEAERN O=C1C[C@@H](c2cscc2Br)N1 ZINC000307193757 372096057 /nfs/dbraw/zinc/09/60/57/372096057.db2.gz OFPGUUUPBNNBBM-LURJTMIESA-N 0 0 232.102 2.072 10 0 BEAERN Cc1nc(C)n(-c2cc(Cl)ncc2C)n1 ZINC000133731406 372097693 /nfs/dbraw/zinc/09/76/93/372097693.db2.gz HYRMFDDNMHYSFG-UHFFFAOYSA-N 0 0 222.679 2.241 10 0 BEAERN N[C@H](c1ccsn1)c1ccoc1Cl ZINC000307647459 372135616 /nfs/dbraw/zinc/13/56/16/372135616.db2.gz DZYASPZGECPPKR-ZETCQYMHSA-N 0 0 214.677 2.438 10 0 BEAERN O=C1NCCCC[C@@H]1Cc1ccsc1 ZINC000133948774 372137413 /nfs/dbraw/zinc/13/74/13/372137413.db2.gz TXGIIFMRWZPMFD-SNVBAGLBSA-N 0 0 209.314 2.207 10 0 BEAERN O=C(CC1OCCO1)c1ccc2cnccc2c1 ZINC000307697162 372139951 /nfs/dbraw/zinc/13/99/51/372139951.db2.gz FTPHWYSUPJWCAZ-UHFFFAOYSA-N 0 0 243.262 2.181 10 0 BEAERN S=c1[nH]ccn1CC1CCSCC1 ZINC000229307498 372141834 /nfs/dbraw/zinc/14/18/34/372141834.db2.gz RVYUQXMFVGMOSO-UHFFFAOYSA-N 0 0 214.359 2.315 10 0 BEAERN Oc1ccc2ncc(NC[C@H]3CCOC3)cc2c1 ZINC000218826591 372155796 /nfs/dbraw/zinc/15/57/96/372155796.db2.gz VFEJXKXPQJCPOM-SNVBAGLBSA-N 0 0 244.294 2.389 10 0 BEAERN Cc1sccc1[C@H](O)[C@@H](O)C(C)C ZINC000232749675 372158222 /nfs/dbraw/zinc/15/82/22/372158222.db2.gz TYOLQOWVHLWPJF-UWVGGRQHSA-N 0 0 200.303 2.107 10 0 BEAERN CN(C)NCc1cc(Br)cs1 ZINC000134140411 372166548 /nfs/dbraw/zinc/16/65/48/372166548.db2.gz KNRDFCWKJUMWFW-UHFFFAOYSA-N 0 0 235.150 2.077 10 0 BEAERN S=c1[nH]ccn1C[C@@H]1CSCCS1 ZINC000229622386 372173939 /nfs/dbraw/zinc/17/39/39/372173939.db2.gz ULKKMXXDZCVDIQ-SSDOTTSWSA-N 0 0 232.399 2.020 10 0 BEAERN Brc1nnc(-c2cnsc2)s1 ZINC000404936677 372126738 /nfs/dbraw/zinc/12/67/38/372126738.db2.gz MRMCCEUSIFEWIS-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN Cc1nc(CNc2ccnc(Cl)c2)no1 ZINC000229727215 372185169 /nfs/dbraw/zinc/18/51/69/372185169.db2.gz RVKJVFHUFOHWHM-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN C[C@@H]1C[C@H](NOCc2ccccc2)CCO1 ZINC000134265919 372189769 /nfs/dbraw/zinc/18/97/69/372189769.db2.gz DFPFJCWFTBDFFT-DGCLKSJQSA-N 0 0 221.300 2.275 10 0 BEAERN O=C1CC[C@H](Cc2ccccc2Cl)N1 ZINC000134325879 372196457 /nfs/dbraw/zinc/19/64/57/372196457.db2.gz ZAILZVGLFPKPSU-SECBINFHSA-N 0 0 209.676 2.161 10 0 BEAERN Cc1ccsc1C[C@@]1(C)CCC(=O)N1 ZINC000134330521 372197685 /nfs/dbraw/zinc/19/76/85/372197685.db2.gz QCVIGGZGYQNKLV-LLVKDONJSA-N 0 0 209.314 2.268 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000171056412 372282295 /nfs/dbraw/zinc/28/22/95/372282295.db2.gz YPWUDWDGINYNJR-MHTLYPKNSA-N 0 0 247.191 2.381 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)C(C)(C)OCC ZINC000631571413 372430769 /nfs/dbraw/zinc/43/07/69/372430769.db2.gz DNOGXOKEZMFVEU-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN CC(=O)OCC(=O)c1ccc(Cl)c(C)c1 ZINC000140395933 372634172 /nfs/dbraw/zinc/63/41/72/372634172.db2.gz YTMNDEVDALBCBE-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN CC(C)CCC(=O)N1CCS[C@@H](C)C1 ZINC000171581742 372700183 /nfs/dbraw/zinc/70/01/83/372700183.db2.gz HXKKGNXKBHYTJH-JTQLQIEISA-N 0 0 215.362 2.387 10 0 BEAERN COC(=O)c1c2ccccc2nn1C(C)C ZINC000038997494 372840358 /nfs/dbraw/zinc/84/03/58/372840358.db2.gz ODGSTDJBYKVPOU-UHFFFAOYSA-N 0 0 218.256 2.404 10 0 BEAERN O=C(COc1ccc(O)cc1)Nc1ccccc1 ZINC000037324203 182001657 /nfs/dbraw/zinc/00/16/57/182001657.db2.gz LBLVGYJKIQIHLB-UHFFFAOYSA-N 0 0 243.262 2.410 10 0 BEAERN COc1cc(N)c(OC)c2ccc(C)nc12 ZINC000039193754 372900980 /nfs/dbraw/zinc/90/09/80/372900980.db2.gz PSVCXXSXEFEIDC-UHFFFAOYSA-N 0 0 218.256 2.143 10 0 BEAERN O=C(c1ccccc1)c1cccc(CO)c1 ZINC000039285357 372921386 /nfs/dbraw/zinc/92/13/86/372921386.db2.gz ADVOUUBCQGAXLA-UHFFFAOYSA-N 0 0 212.248 2.410 10 0 BEAERN CC(=O)CCc1ccc(NC(C)=O)cc1 ZINC000039299444 372934278 /nfs/dbraw/zinc/93/42/78/372934278.db2.gz VXWCNLDOZAUNDV-UHFFFAOYSA-N 0 0 205.257 2.167 10 0 BEAERN COc1ccc2c(c1)C[C@@H]1CC[C@H](C2)C1=O ZINC000039374902 372958493 /nfs/dbraw/zinc/95/84/93/372958493.db2.gz XOVYXMADLVXMOC-MNOVXSKESA-N 0 0 216.280 2.389 10 0 BEAERN O=C(Cc1ccccn1)C(F)(F)C(F)(F)F ZINC000013285510 182046625 /nfs/dbraw/zinc/04/66/25/182046625.db2.gz BQVRBDNFCROYTC-UHFFFAOYSA-N 0 0 239.143 2.391 10 0 BEAERN CCOC(=O)c1cccc2c1nc(C)n2C ZINC000141598545 372991070 /nfs/dbraw/zinc/99/10/70/372991070.db2.gz BKXUSDXPIIBVGC-UHFFFAOYSA-N 0 0 218.256 2.058 10 0 BEAERN COc1c(Cl)cc(Cl)c(N)c1N ZINC000142010445 373088633 /nfs/dbraw/zinc/08/86/33/373088633.db2.gz RHPUPFIZINCDSF-UHFFFAOYSA-N 0 0 207.060 2.166 10 0 BEAERN CC[C@H](O)c1occc1Br ZINC000068981579 373101423 /nfs/dbraw/zinc/10/14/23/373101423.db2.gz VAHJAHOUROWRED-LURJTMIESA-N 0 0 205.051 2.486 10 0 BEAERN O=C(Cn1cccc1)Nc1ccccc1F ZINC000006805547 182067590 /nfs/dbraw/zinc/06/75/90/182067590.db2.gz QGIKAPWTBXKKBZ-UHFFFAOYSA-N 0 0 218.231 2.266 10 0 BEAERN CSCCNc1c(F)cc(N)cc1F ZINC000068996173 373103653 /nfs/dbraw/zinc/10/36/53/373103653.db2.gz FCXXPVYXUSVCQH-UHFFFAOYSA-N 0 0 218.272 2.322 10 0 BEAERN CCn1nccc1C(=O)c1ccccc1 ZINC000069024039 373107917 /nfs/dbraw/zinc/10/79/17/373107917.db2.gz KVMBHLJSUATTHV-UHFFFAOYSA-N 0 0 200.241 2.134 10 0 BEAERN O=C(Nc1ncc[nH]1)c1csc2ccccc12 ZINC000070155879 182084094 /nfs/dbraw/zinc/08/40/94/182084094.db2.gz YRCRKNOXLXZTOH-UHFFFAOYSA-N 0 0 243.291 2.299 10 0 BEAERN O=C(N1CCCO1)C1(c2ccccc2)CCC1 ZINC000125431608 182080729 /nfs/dbraw/zinc/08/07/29/182080729.db2.gz INHKVBGPCFRTFK-UHFFFAOYSA-N 0 0 231.295 2.272 10 0 BEAERN O[C@H]1CCCN(c2nccc3sccc32)C1 ZINC000040444191 373267005 /nfs/dbraw/zinc/26/70/05/373267005.db2.gz VKLAYLHTLWZRHK-VIFPVBQESA-N 0 0 234.324 2.257 10 0 BEAERN O=C(NC1CC1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000057292466 182097879 /nfs/dbraw/zinc/09/78/79/182097879.db2.gz YXRPPFJFAVHGDU-VXGBXAGGSA-N 0 0 216.284 2.004 10 0 BEAERN O=C(NC1CCCC1)c1ccc2c(c1)CCN2 ZINC000036895669 182111925 /nfs/dbraw/zinc/11/19/25/182111925.db2.gz KIRIRLXLZNNITA-UHFFFAOYSA-N 0 0 230.311 2.327 10 0 BEAERN O=C(NCC(F)(F)F)N1CCC[C@H]1C1CC1 ZINC000377544327 182122976 /nfs/dbraw/zinc/12/29/76/182122976.db2.gz NMQFORKTAGOESQ-QMMMGPOBSA-N 0 0 236.237 2.133 10 0 BEAERN CCC1(NC(=O)N[C@@H](C)[C@@H]2CCCO2)CCC1 ZINC000175959229 205581379 /nfs/dbraw/zinc/58/13/79/205581379.db2.gz ZEGGEGQNIXXOKG-QWRGUYRKSA-N 0 0 240.347 2.186 10 0 BEAERN CCN(CCCCO)C(=O)OC(C)(C)C ZINC000142459329 373539106 /nfs/dbraw/zinc/53/91/06/373539106.db2.gz YXYVTLVYYAQEIW-UHFFFAOYSA-N 0 0 217.309 2.016 10 0 BEAERN O=C(NCC1CCCC1)N1C[C@@H]2CCC[C@H]21 ZINC000336447509 182144778 /nfs/dbraw/zinc/14/47/78/182144778.db2.gz JISGAJXDOZGWSQ-NWDGAFQWSA-N 0 0 222.332 2.371 10 0 BEAERN O=C(NCCC1CCCC1)c1cncc(O)c1 ZINC000111739106 182156214 /nfs/dbraw/zinc/15/62/14/182156214.db2.gz XRVAESATSSAXPA-UHFFFAOYSA-N 0 0 234.299 2.097 10 0 BEAERN Cc1ccc(C(=O)C(C)(C)S(C)(=O)=O)s1 ZINC000069693119 373603535 /nfs/dbraw/zinc/60/35/35/373603535.db2.gz QGUBKECPYYUCJP-UHFFFAOYSA-N 0 0 246.353 2.062 10 0 BEAERN CC(C)COc1ncc(Br)cc1N ZINC000040713918 373618745 /nfs/dbraw/zinc/61/87/45/373618745.db2.gz DHGFVIZZCNEURK-UHFFFAOYSA-N 0 0 245.120 2.461 10 0 BEAERN CC[C@@H](CC(=O)NCC1CC(O)C1)C(C)(C)C ZINC000633700780 373696458 /nfs/dbraw/zinc/69/64/58/373696458.db2.gz AKDVFTTXBPOZDL-CXQJBGSLSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@H]1CSCCN1c1nsnc1Cl ZINC000069762799 373728190 /nfs/dbraw/zinc/72/81/90/373728190.db2.gz PUGHDFGIJTVCBT-YFKPBYRVSA-N 0 0 235.765 2.133 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)CC1CCCCC1 ZINC000633867603 373825600 /nfs/dbraw/zinc/82/56/00/373825600.db2.gz NLRGQHVMKQEMQG-DGCLKSJQSA-N 0 0 239.359 2.329 10 0 BEAERN Cc1ccc(C(=O)N2CC[C@@H](O)C[C@H]2C)s1 ZINC000633866975 373825625 /nfs/dbraw/zinc/82/56/25/373825625.db2.gz HKUZVWQNYVLWGY-PSASIEDQSA-N 0 0 239.340 2.042 10 0 BEAERN Cc1cc(C)cc(C(=O)N2CC[C@@H](O)C[C@H]2C)c1 ZINC000633866811 373825758 /nfs/dbraw/zinc/82/57/58/373825758.db2.gz CFTGWFAVOUQZBL-TZMCWYRMSA-N 0 0 247.338 2.289 10 0 BEAERN CCCCNC(=O)Nc1nc2ccccc2[nH]1 ZINC000005114652 168853640 /nfs/dbraw/zinc/85/36/40/168853640.db2.gz GDPFUDKQBKGTKU-UHFFFAOYSA-N 0 0 232.287 2.485 10 0 BEAERN CCC[C@H]1C[C@@](N)(C(F)(F)F)CCO1 ZINC000069899958 373973455 /nfs/dbraw/zinc/97/34/55/373973455.db2.gz KABYYIVOPVSNOF-JGVFFNPUSA-N 0 0 211.227 2.225 10 0 BEAERN CCC[C@H]1C[C@](O)(C(F)(F)F)CCO1 ZINC000069898442 373973669 /nfs/dbraw/zinc/97/36/69/373973669.db2.gz ZODOWAPXJZPYMC-YUMQZZPRSA-N 0 0 212.211 2.259 10 0 BEAERN C[C@@H]1C[S@@](=O)c2ccc(Cl)cc2C1=O ZINC000040972953 373973796 /nfs/dbraw/zinc/97/37/96/373973796.db2.gz FZVWXHDQIZXVIZ-RCNPXXIZSA-N 0 0 228.700 2.280 10 0 BEAERN CC[C@]1(C)C[C@@](N)(C(F)(F)F)CCO1 ZINC000069899893 373974058 /nfs/dbraw/zinc/97/40/58/373974058.db2.gz FZYNDSZUOFWWPN-HTQZYQBOSA-N 0 0 211.227 2.225 10 0 BEAERN Cc1cc2c(cc1C)[S@@](=O)C[C@@H](C)C2=O ZINC000040973083 373975212 /nfs/dbraw/zinc/97/52/12/373975212.db2.gz NXSBWYXTZOQADL-RFAUZJTJSA-N 0 0 222.309 2.243 10 0 BEAERN O=C1N=NC(c2ccc(Cl)s2)O1 ZINC000070030685 374113598 /nfs/dbraw/zinc/11/35/98/374113598.db2.gz YNULAEXOVMHPHF-UHFFFAOYSA-N 0 0 202.622 2.157 10 0 BEAERN CCC(=O)NCc1nc(-c2ccccn2)cs1 ZINC000041133212 374114363 /nfs/dbraw/zinc/11/43/63/374114363.db2.gz RMWPMYTYYUIAMV-UHFFFAOYSA-N 0 0 247.323 2.231 10 0 BEAERN CCC(=O)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000041342192 374132878 /nfs/dbraw/zinc/13/28/78/374132878.db2.gz NPYLNNIHCSJKPS-GFCCVEGCSA-N 0 0 231.295 2.270 10 0 BEAERN CSCCc1nc2c(cccc2N)[nH]1 ZINC000069983419 374104137 /nfs/dbraw/zinc/10/41/37/374104137.db2.gz CPXLGRZKVFIMDT-UHFFFAOYSA-N 0 0 207.302 2.051 10 0 BEAERN C[C@@H](Nc1nncs1)c1nccs1 ZINC000070634722 374168298 /nfs/dbraw/zinc/16/82/98/374168298.db2.gz WAMZYRAWSKKGFK-RXMQYKEDSA-N 0 0 212.303 2.168 10 0 BEAERN Cc1ccc(N)cc1C(=O)c1ccc[nH]1 ZINC000070671522 374170742 /nfs/dbraw/zinc/17/07/42/374170742.db2.gz LSLTZNILUPIVBS-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN Nc1ccc(C(=O)c2ccc[nH]2)c(Cl)c1 ZINC000070671513 374171650 /nfs/dbraw/zinc/17/16/50/374171650.db2.gz KDABXTIFJFCZJB-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN Cc1ccnn1Cc1ccnc(Cl)c1 ZINC000070685284 374176639 /nfs/dbraw/zinc/17/66/39/374176639.db2.gz SZBHNZMMEZFDLV-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN CC[C@@](C)(CO)Nc1cc(C)nc(Cl)n1 ZINC000070898138 374225868 /nfs/dbraw/zinc/22/58/68/374225868.db2.gz DHHFTYNMTQPDJS-JTQLQIEISA-N 0 0 229.711 2.011 10 0 BEAERN Nc1ncc(Cl)cc1[C@@H]1CCC(=O)C1 ZINC000070738176 374185377 /nfs/dbraw/zinc/18/53/77/374185377.db2.gz YLPDZFKOISZJIL-ZCFIWIBFSA-N 0 0 210.664 2.154 10 0 BEAERN C[C@H]1CC[C@@]([NH2+]C2CCCC2)(C(=O)[O-])C1 ZINC000070764033 374188305 /nfs/dbraw/zinc/18/83/05/374188305.db2.gz KSGWCJKVTXPJLE-CABZTGNLSA-N 0 0 211.305 2.162 10 0 BEAERN C[C@H]1CC[C@@](C(=O)[O-])([NH+]2CCCCC2)C1 ZINC000070766154 374189637 /nfs/dbraw/zinc/18/96/37/374189637.db2.gz SCZIHGYDBVDTFH-CMPLNLGQSA-N 0 0 211.305 2.116 10 0 BEAERN COc1c(Cl)cc(Cl)c2c(=O)[nH]cnc12 ZINC000143516938 374191479 /nfs/dbraw/zinc/19/14/79/374191479.db2.gz XTYOKSITHGNSGP-UHFFFAOYSA-N 0 0 245.065 2.239 10 0 BEAERN CC(C)N1C(=O)CS[C@@H]1c1ccc(N)cc1 ZINC000143849205 374254546 /nfs/dbraw/zinc/25/45/46/374254546.db2.gz YQHGWVGSBNPWKL-GFCCVEGCSA-N 0 0 236.340 2.251 10 0 BEAERN Cn1cc(S[C@@H]2CCCCC2=O)cn1 ZINC000042406521 374267786 /nfs/dbraw/zinc/26/77/86/374267786.db2.gz AQKGWCNGEZRXGK-SNVBAGLBSA-N 0 0 210.302 2.024 10 0 BEAERN O=C(N[C@@H]1CCC12CCCC2)C1CCOCC1 ZINC000336599001 182292670 /nfs/dbraw/zinc/29/26/70/182292670.db2.gz OSRLBWMAVZOYJL-GFCCVEGCSA-N 0 0 237.343 2.252 10 0 BEAERN O=C(N[C@@H]1CCCOC1)c1ccc2[nH]ccc2c1 ZINC000104213537 182296552 /nfs/dbraw/zinc/29/65/52/182296552.db2.gz WGQUVERMWKZFRZ-GFCCVEGCSA-N 0 0 244.294 2.077 10 0 BEAERN O=C(N[C@H]1CCCC[C@H]1O)C1CCCCCC1 ZINC000053715419 182329205 /nfs/dbraw/zinc/32/92/05/182329205.db2.gz HFPSRZBHVIKZII-QWHCGFSZSA-N 0 0 239.359 2.377 10 0 BEAERN O=C(N[C@H]1CCCOC1)c1cccc2[nH]ccc21 ZINC000109552198 182330169 /nfs/dbraw/zinc/33/01/69/182330169.db2.gz JCAGZVCCMATYBD-JTQLQIEISA-N 0 0 244.294 2.077 10 0 BEAERN O=C(N[C@H]1CCc2ccccc2C1)C(F)(F)F ZINC000112825664 182340699 /nfs/dbraw/zinc/34/06/99/182340699.db2.gz YYYXOONORQHFOM-JTQLQIEISA-N 0 0 243.228 2.222 10 0 BEAERN O=C(Nc1cc2ccccc2cn1)c1cc[nH]n1 ZINC000211643068 182351023 /nfs/dbraw/zinc/35/10/23/182351023.db2.gz KMQHOFKUVPQPQF-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1ccc2c(c1)CCN2)c1ccccn1 ZINC000063188050 182363384 /nfs/dbraw/zinc/36/33/84/182363384.db2.gz ZBTLJJJIWGSAJZ-UHFFFAOYSA-N 0 0 239.278 2.302 10 0 BEAERN O=C(Nc1cccc2c1CCCN2)[C@@H]1CCCO1 ZINC000019266936 182373151 /nfs/dbraw/zinc/37/31/51/182373151.db2.gz KKHLZYYNHQPBHI-ZDUSSCGKSA-N 0 0 246.310 2.162 10 0 BEAERN O=C(Nc1ccncc1)c1ccc2c(c1)CCN2 ZINC000036895763 182386719 /nfs/dbraw/zinc/38/67/19/182386719.db2.gz IXWISQPEOGHGRN-UHFFFAOYSA-N 0 0 239.278 2.302 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)[C@H]1CC=CCC1 ZINC000037969273 182502629 /nfs/dbraw/zinc/50/26/29/182502629.db2.gz KIDASWFKVFIGJD-JQWIXIFHSA-N 0 0 223.316 2.328 10 0 BEAERN CC(C)(C)Cc1cc(N)n([C@H]2CCC[C@@H]2O)n1 ZINC000054599762 166604878 /nfs/dbraw/zinc/60/48/78/166604878.db2.gz FMSFRLCGUWAEKI-QWRGUYRKSA-N 0 0 237.347 2.140 10 0 BEAERN O=C([O-])[C@H]([NH2+]Cc1ccccc1)C1CCCC1 ZINC000050272637 182527643 /nfs/dbraw/zinc/52/76/43/182527643.db2.gz PFHBIKGRDKBKGI-CYBMUJFWSA-N 0 0 233.311 2.420 10 0 BEAERN O=C([O-])[C@H]([NH2+]CC1CC1)c1ccc(F)cc1F ZINC000037967431 182527730 /nfs/dbraw/zinc/52/77/30/182527730.db2.gz MSDMHMMRUXPLGN-LLVKDONJSA-N 0 0 241.237 2.090 10 0 BEAERN O=C([O-])[C@H]1CC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000005190478 182538345 /nfs/dbraw/zinc/53/83/45/182538345.db2.gz VPBLOJFGPORKQA-KIPDHUPVSA-N 0 0 235.327 2.114 10 0 in-man BEAERN O=C(OCc1ccccc1)N1CCCC[C@@H](O)C1 ZINC000097757630 182605108 /nfs/dbraw/zinc/60/51/08/182605108.db2.gz ADANQYYHJVOFNG-CYBMUJFWSA-N 0 0 249.310 2.170 10 0 BEAERN O=C(c1cc(Cl)ncc1Cl)N1CCCO1 ZINC000121869553 182649318 /nfs/dbraw/zinc/64/93/18/182649318.db2.gz DYTHLWZNQSJXNB-UHFFFAOYSA-N 0 0 247.081 2.166 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(Cl)n1 ZINC000095763982 170234881 /nfs/dbraw/zinc/23/48/81/170234881.db2.gz BPSXPTIRSMROGK-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000366191540 182688390 /nfs/dbraw/zinc/68/83/90/182688390.db2.gz KVZDWOBHVXZSHI-NEPJUHHUSA-N 0 0 246.310 2.192 10 0 BEAERN O=C(c1ccccc1C(F)(F)F)N1CCCO1 ZINC000125429112 182678916 /nfs/dbraw/zinc/67/89/16/182678916.db2.gz CTIWRQIKYDGXIR-UHFFFAOYSA-N 0 0 245.200 2.483 10 0 BEAERN O=C(c1cnc2sccn12)C(F)(F)F ZINC000001796918 182698286 /nfs/dbraw/zinc/69/82/86/182698286.db2.gz VQIQFEGBZHKHHZ-UHFFFAOYSA-N 0 0 220.175 2.141 10 0 BEAERN O=C1CCCC2(OCCO2)c2ccccc21 ZINC000095221046 182725834 /nfs/dbraw/zinc/72/58/34/182725834.db2.gz YTLZIHUJDGTWMP-UHFFFAOYSA-N 0 0 218.252 2.253 10 0 BEAERN O=C1CCc2nc(C(F)(F)F)ccc2C1 ZINC000095757703 182757462 /nfs/dbraw/zinc/75/74/62/182757462.db2.gz LNLWYYXQBBHWHK-UHFFFAOYSA-N 0 0 215.174 2.158 10 0 BEAERN CCOC(=O)[C@](C)(NC1CCCC1)C1CC1 ZINC000037970577 170284343 /nfs/dbraw/zinc/28/43/43/170284343.db2.gz IZZJSQZCUPDQMF-CYBMUJFWSA-N 0 0 225.332 2.250 10 0 BEAERN O=C1[C@@H]2CC[C@H]1Cc1ccc(O)cc1C2 ZINC000032915217 182842200 /nfs/dbraw/zinc/84/22/00/182842200.db2.gz JZHXIHHXODNANH-VHSXEESVSA-N 0 0 202.253 2.086 10 0 BEAERN O=C1c2ncccc2-c2nccc3ccnc1c32 ZINC000000008974 182846989 /nfs/dbraw/zinc/84/69/89/182846989.db2.gz OPUPHQHVRPYOTC-UHFFFAOYSA-N 0 0 233.230 2.236 10 0 BEAERN O=C1OCC(Nc2ccccc2)=C1Cl ZINC000070632090 182827636 /nfs/dbraw/zinc/82/76/36/182827636.db2.gz SZRCJNCNYCPMIQ-UHFFFAOYSA-N 0 0 209.632 2.106 10 0 BEAERN O=C1[C@H]2CC=C[C@@H]2C12SCCCS2 ZINC000062721354 182841447 /nfs/dbraw/zinc/84/14/47/182841447.db2.gz ILBNYWIDXMMFEI-YUMQZZPRSA-N 0 0 212.339 2.328 10 0 BEAERN O=Cc1ccc(-c2ncccc2O)s1 ZINC000065339045 182865881 /nfs/dbraw/zinc/86/58/81/182865881.db2.gz LKXHRZHPNKZLEJ-UHFFFAOYSA-N 0 0 205.238 2.328 10 0 BEAERN CC(C)OCCCCNC(=O)OC(C)C ZINC000225196183 259585166 /nfs/dbraw/zinc/58/51/66/259585166.db2.gz VIYBIUDNKSOGAY-UHFFFAOYSA-N 0 0 217.309 2.326 10 0 BEAERN CCCCS(=O)(=O)N[C@H](C)c1ccc(C)o1 ZINC000097079562 168928311 /nfs/dbraw/zinc/92/83/11/168928311.db2.gz WOGUSUFHBCLESM-SNVBAGLBSA-N 0 0 245.344 2.369 10 0 BEAERN O=c1c(Cl)c(-c2ccc(Cl)cc2)c1=O ZINC000070632588 182984780 /nfs/dbraw/zinc/98/47/80/182984780.db2.gz VHQHVJCXUMCRJB-UHFFFAOYSA-N 0 0 227.046 2.256 10 0 BEAERN O=c1ccncn1CCC(Cl)(Cl)Cl ZINC000274362522 183005454 /nfs/dbraw/zinc/00/54/54/183005454.db2.gz VZTNKCXCVRQOEH-UHFFFAOYSA-N 0 0 241.505 2.004 10 0 BEAERN O=c1nc(-c2cccc(C(F)(F)F)c2)cc[nH]1 ZINC000044117143 183008318 /nfs/dbraw/zinc/00/83/18/183008318.db2.gz KLUIGIRSYXICCA-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1nc(-c2ccc(C(F)(F)F)cc2)cc[nH]1 ZINC000044117139 183008585 /nfs/dbraw/zinc/00/85/85/183008585.db2.gz YTWXYGGDINAAOK-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=c1ncc(-c2ccccc2C(F)(F)F)c[nH]1 ZINC000065344756 183011867 /nfs/dbraw/zinc/01/18/67/183011867.db2.gz XLMLWWXAAQIKCB-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN O=C1CC[C@H](c2nc(CC3CCC3)no2)CN1 ZINC000329002428 183025741 /nfs/dbraw/zinc/02/57/41/183025741.db2.gz LPPWHNPQGHWYBG-VIFPVBQESA-N 0 0 235.287 2.246 10 0 BEAERN OCC1(Nc2cc[nH+]cc2)CCCCC1 ZINC000053096414 183040007 /nfs/dbraw/zinc/04/00/07/183040007.db2.gz JKFZTADNUFNQQL-UHFFFAOYSA-N 0 0 206.289 2.189 10 0 BEAERN OCC(CO)c1ccc(Cl)c(Cl)c1 ZINC000044198855 183033625 /nfs/dbraw/zinc/03/36/25/183033625.db2.gz UFIWJDMOIDVROW-UHFFFAOYSA-N 0 0 221.083 2.062 10 0 BEAERN OCC1(Nc2cccc(Cl)c2)CCOCC1 ZINC000038113919 183039359 /nfs/dbraw/zinc/03/93/59/183039359.db2.gz DNZDYHXPTUKJFO-UHFFFAOYSA-N 0 0 241.718 2.293 10 0 BEAERN OCCN(c1cccc(F)n1)C1CCCCC1 ZINC000042527452 183072011 /nfs/dbraw/zinc/07/20/11/183072011.db2.gz FNSANBBMPXXSBA-UHFFFAOYSA-N 0 0 238.306 2.352 10 0 BEAERN OCCNc1ncc(Cl)c2ccccc21 ZINC000019721545 183080605 /nfs/dbraw/zinc/08/06/05/183080605.db2.gz VEAAZXLNOHYPPZ-UHFFFAOYSA-N 0 0 222.675 2.292 10 0 BEAERN OC[C@@H]1CC1(C(F)(F)F)C(F)(F)F ZINC000057218874 183115555 /nfs/dbraw/zinc/11/55/55/183115555.db2.gz YKHKDTDAAOZNFV-VKHMYHEASA-N 0 0 208.101 2.110 10 0 BEAERN OCC[C@H]1CNc2ccc(Br)cc21 ZINC000071486843 183099199 /nfs/dbraw/zinc/09/91/99/183099199.db2.gz MZSOSCILGVEAQL-ZETCQYMHSA-N 0 0 242.116 2.341 10 0 BEAERN OCCc1c(F)cc(Br)cc1F ZINC000075856845 183099541 /nfs/dbraw/zinc/09/95/41/183099541.db2.gz VSXAIGBSHKQOPA-UHFFFAOYSA-N 0 0 237.043 2.262 10 0 BEAERN CCCC[C@H]([NH2+]CCc1ccccc1)C(=O)[O-] ZINC000075437791 169011921 /nfs/dbraw/zinc/01/19/21/169011921.db2.gz UIZJAFGMICYNTF-ZDUSSCGKSA-N 0 0 235.327 2.462 10 0 BEAERN OC[C@@H](C=C(Cl)Cl)N1CCCCC1 ZINC000062721951 183103261 /nfs/dbraw/zinc/10/32/61/183103261.db2.gz OIQFCMQNAQXWIT-MRVPVSSYSA-N 0 0 224.131 2.152 10 0 BEAERN OC[C@@H](Nc1ccnc(Cl)c1)c1ccco1 ZINC000301635244 183110466 /nfs/dbraw/zinc/11/04/66/183110466.db2.gz LAYCTIISTCESKW-SECBINFHSA-N 0 0 238.674 2.474 10 0 BEAERN CCCC[S@](=O)c1nc2cc(N)ccc2[nH]1 ZINC000042196027 169017202 /nfs/dbraw/zinc/01/72/02/169017202.db2.gz YCBFDMPYKXAXNT-MRXNPFEDSA-N 0 0 237.328 2.053 10 0 BEAERN OC[C@@]1(Nc2ccccc2F)CCSC1 ZINC000038119706 183136122 /nfs/dbraw/zinc/13/61/22/183136122.db2.gz PPNQTECXAFTIMN-NSHDSACASA-N 0 0 227.304 2.106 10 0 BEAERN CCCCc1noc([C@@H]2CCC[C@H](O)C2)n1 ZINC000303798199 169031555 /nfs/dbraw/zinc/03/15/55/169031555.db2.gz SKGHOGKXPSQSCT-ZJUUUORDSA-N 0 0 224.304 2.431 10 0 BEAERN CCCCc1ccc2c(c1)C(=O)C(=O)N2 ZINC000022214886 169024346 /nfs/dbraw/zinc/02/43/46/169024346.db2.gz WIEJKTTWCGNQHH-UHFFFAOYSA-N 0 0 203.241 2.164 10 0 BEAERN OC[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000038119563 183142766 /nfs/dbraw/zinc/14/27/66/183142766.db2.gz GDPPRNNTARTDHK-SKDRFNHKSA-N 0 0 241.718 2.149 10 0 BEAERN CCCCc1nc([C@@H]2CCCCN2)no1 ZINC000040443491 169026807 /nfs/dbraw/zinc/02/68/07/169026807.db2.gz RMZRGWPXZUCWJC-VIFPVBQESA-N 0 0 209.293 2.227 10 0 BEAERN OC[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000011892904 183124451 /nfs/dbraw/zinc/12/44/51/183124451.db2.gz VZHUMSRPQKUILA-MRVPVSSYSA-N 0 0 229.682 2.298 10 0 BEAERN CCCCc1nnc([C@@H](N)c2ccccc2)o1 ZINC000050283993 169029301 /nfs/dbraw/zinc/02/93/01/169029301.db2.gz GIWWBQQXNIUXRZ-LBPRGKRZSA-N 0 0 231.299 2.460 10 0 BEAERN OC[C@H]1CCCCC[C@H]1Nc1ccccn1 ZINC000301794387 183146958 /nfs/dbraw/zinc/14/69/58/183146958.db2.gz SOACWKKFDJCGNJ-VXGBXAGGSA-N 0 0 220.316 2.435 10 0 BEAERN OC[C@]1(Nc2ccccc2F)CCCSC1 ZINC000061590890 183158618 /nfs/dbraw/zinc/15/86/18/183158618.db2.gz UVLWZHCTRARMKU-GFCCVEGCSA-N 0 0 241.331 2.496 10 0 BEAERN OC[C@]1(Nc2ccc(F)cc2)CCCSC1 ZINC000061590858 183159224 /nfs/dbraw/zinc/15/92/24/183159224.db2.gz PGQVUFPJTAYECZ-GFCCVEGCSA-N 0 0 241.331 2.496 10 0 BEAERN OCc1c(Cl)nc2c(Cl)cccn12 ZINC000082695337 183160071 /nfs/dbraw/zinc/16/00/71/183160071.db2.gz SMZJPWUGYOOIGA-UHFFFAOYSA-N 0 0 217.055 2.133 10 0 BEAERN OCc1c(Oc2cccnc2)nc2sccn12 ZINC000035429505 183160165 /nfs/dbraw/zinc/16/01/65/183160165.db2.gz QYOJHGOXYTYZJZ-UHFFFAOYSA-N 0 0 247.279 2.075 10 0 BEAERN CCCN(C(=O)Cc1ccccc1N)C(C)C ZINC000037095439 169042536 /nfs/dbraw/zinc/04/25/36/169042536.db2.gz JWWUKNBXRGFNQX-UHFFFAOYSA-N 0 0 234.343 2.458 10 0 BEAERN OCc1ccc(-n2ccc(C3CC3)n2)c(F)c1 ZINC000052884618 183163019 /nfs/dbraw/zinc/16/30/19/183163019.db2.gz BKNBXJVHXWXXRV-UHFFFAOYSA-N 0 0 232.258 2.381 10 0 BEAERN CCCN(C(=O)c1cc[nH]n1)c1ccccc1N ZINC000063113322 169046381 /nfs/dbraw/zinc/04/63/81/169046381.db2.gz LBDFMZFLNRQDNU-UHFFFAOYSA-N 0 0 244.298 2.049 10 0 BEAERN CCCN(C(=O)c1ccccc1N)C1CC1 ZINC000037096591 169048216 /nfs/dbraw/zinc/04/82/16/169048216.db2.gz FOMNLEWKKMGAGE-UHFFFAOYSA-N 0 0 218.300 2.283 10 0 BEAERN OCc1ncc(-c2ccccc2F)s1 ZINC000083250372 183170622 /nfs/dbraw/zinc/17/06/22/183170622.db2.gz NTTDYFBBQPIYCO-UHFFFAOYSA-N 0 0 209.245 2.442 10 0 BEAERN OCc1nccn1C[C@H]1CCCc2ccccc21 ZINC000104319017 183171458 /nfs/dbraw/zinc/17/14/58/183171458.db2.gz QRWGLEMDFAYZFP-CYBMUJFWSA-N 0 0 242.322 2.496 10 0 BEAERN OP(OCC(F)(F)F)OCC(F)(F)F ZINC000100026066 183172789 /nfs/dbraw/zinc/17/27/89/183172789.db2.gz FJYRVGYYXGXLKS-UHFFFAOYSA-N 0 0 246.043 2.363 10 0 BEAERN O[C@@H](Cc1nc(C2CCCCC2)no1)C(F)F ZINC000104070001 183184870 /nfs/dbraw/zinc/18/48/70/183184870.db2.gz SIGBYQJYUONZBN-QMMMGPOBSA-N 0 0 246.257 2.286 10 0 BEAERN CCCN(C)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117634606 169058873 /nfs/dbraw/zinc/05/88/73/169058873.db2.gz GNJINPLHYMYAGE-GXFFZTMASA-N 0 0 233.311 2.420 10 0 BEAERN O[C@@H](CN1CCC[C@@H]1c1ccco1)C(F)(F)F ZINC000121339348 183175652 /nfs/dbraw/zinc/17/56/52/183175652.db2.gz MYABMIOBLYXTDW-SCZZXKLOSA-N 0 0 249.232 2.340 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1c(F)cccc1F ZINC000037690039 183196326 /nfs/dbraw/zinc/19/63/26/183196326.db2.gz NVEPABFYZQEWBQ-NXEZZACHSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1cccc(F)c1F ZINC000040230642 183196681 /nfs/dbraw/zinc/19/66/81/183196681.db2.gz PXGUFSJDHAOITJ-PSASIEDQSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1cc(F)ccc1F ZINC000037689760 183196861 /nfs/dbraw/zinc/19/68/61/183196861.db2.gz FPYLNJHBFWHKMP-MWLCHTKSSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H](c1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000044353395 183185410 /nfs/dbraw/zinc/18/54/10/183185410.db2.gz UJRILTPQSJXTEE-JTQLQIEISA-N 0 0 248.200 2.444 10 0 BEAERN CCCN(C)C(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117634601 169059241 /nfs/dbraw/zinc/05/92/41/169059241.db2.gz GNJINPLHYMYAGE-MFKMUULPSA-N 0 0 233.311 2.420 10 0 BEAERN O[C@H](c1ccc2ncccc2c1)c1cncnc1 ZINC000062801865 183186898 /nfs/dbraw/zinc/18/68/98/183186898.db2.gz HJCCHXFDSQWCGK-CQSZACIVSA-N 0 0 237.262 2.107 10 0 BEAERN CCCN(C)C(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117634604 169060460 /nfs/dbraw/zinc/06/04/60/169060460.db2.gz GNJINPLHYMYAGE-GWCFXTLKSA-N 0 0 233.311 2.420 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1ncc(Cl)cn1 ZINC000093538352 183187676 /nfs/dbraw/zinc/18/76/76/183187676.db2.gz YXGODRJCLWLOEY-PSASIEDQSA-N 0 0 241.722 2.093 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1ccc(F)cn1 ZINC000082997422 183188519 /nfs/dbraw/zinc/18/85/19/183188519.db2.gz UEKIEWXLZNULNC-MWLCHTKSSA-N 0 0 224.279 2.184 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000112554874 183189817 /nfs/dbraw/zinc/18/98/17/183189817.db2.gz VHZWUVRBEDKISB-WDEREUQCSA-N 0 0 233.315 2.069 10 0 BEAERN O[C@@H]1CCCN(Cc2cc[nH]n2)c2ccccc21 ZINC000376998328 183194423 /nfs/dbraw/zinc/19/44/23/183194423.db2.gz TWVQUQZSENRQQO-CQSZACIVSA-N 0 0 243.310 2.244 10 0 BEAERN O[C@@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095077679 183194641 /nfs/dbraw/zinc/19/46/41/183194641.db2.gz PLXQYKLVMBHYAM-SECBINFHSA-N 0 0 234.324 2.257 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1nc2ccccc2o1 ZINC000265535965 183194972 /nfs/dbraw/zinc/19/49/72/183194972.db2.gz CDKCPLLUQAIXBP-WCBMZHEXSA-N 0 0 218.256 2.153 10 0 BEAERN O[C@H](CN1CCc2ccc(F)cc21)C(F)(F)F ZINC000121562051 183221860 /nfs/dbraw/zinc/22/18/60/183221860.db2.gz YKKDCUUIYHHKPT-SNVBAGLBSA-N 0 0 249.207 2.111 10 0 BEAERN O[C@H](CNc1ccccn1)C1CCCC1 ZINC000301292555 183226028 /nfs/dbraw/zinc/22/60/28/183226028.db2.gz PWJGSHYRVHYZAI-LLVKDONJSA-N 0 0 206.289 2.045 10 0 BEAERN O[C@H](COc1ccccc1)c1ccco1 ZINC000026510472 183226034 /nfs/dbraw/zinc/22/60/34/183226034.db2.gz FWVULHHLFJNDJK-LLVKDONJSA-N 0 0 204.225 2.392 10 0 BEAERN O[C@H](Cc1cc(F)cc(F)c1)c1cncnc1 ZINC000052886840 183227512 /nfs/dbraw/zinc/22/75/12/183227512.db2.gz VTABWGPALDBYRV-GFCCVEGCSA-N 0 0 236.221 2.031 10 0 BEAERN O[C@H](c1cnc2ccccc2c1)c1cnccn1 ZINC000037761707 183230635 /nfs/dbraw/zinc/23/06/35/183230635.db2.gz FXBNKDPIEMDXBR-CQSZACIVSA-N 0 0 237.262 2.107 10 0 BEAERN O[C@@H]1COC[C@@H]1Nc1cc(Cl)ccc1Cl ZINC000037874037 183210656 /nfs/dbraw/zinc/21/06/56/183210656.db2.gz IDESMBLWNFZUJP-VHSXEESVSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@@H]1C[C@@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415185 183212364 /nfs/dbraw/zinc/21/23/64/183212364.db2.gz BFULYIOJZDQMSS-GXFFZTMASA-N 0 0 214.268 2.173 10 0 BEAERN O[C@@]1(C(F)(F)F)CC(c2ccsc2)=NO1 ZINC000032917204 183215415 /nfs/dbraw/zinc/21/54/15/183215415.db2.gz OYONENQGBRRCOD-ZETCQYMHSA-N 0 0 237.202 2.123 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1cc(F)c(F)cc1F ZINC000061094032 183237881 /nfs/dbraw/zinc/23/78/81/183237881.db2.gz ZSTXSEFGWZGDQU-KOLCDFICSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H]1COC[C@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000037877095 183247130 /nfs/dbraw/zinc/24/71/30/183247130.db2.gz QVOBYPPVVMZANB-ZJUUUORDSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1Nc2ccccc2N1Cc1ccccc1 ZINC000071973985 183249680 /nfs/dbraw/zinc/24/96/80/183249680.db2.gz SZDBYVPXRAGFKP-AWEZNQCLSA-N 0 0 226.279 2.395 10 0 BEAERN O[C@](c1ccc(F)cc1)(c1cncnc1)C1CC1 ZINC000028769108 183250706 /nfs/dbraw/zinc/25/07/06/183250706.db2.gz SITVKQLSCKELFI-CQSZACIVSA-N 0 0 244.269 2.262 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1ncccc1Cl ZINC000052007012 183233469 /nfs/dbraw/zinc/23/34/69/183233469.db2.gz CPQZRBXVANDSNT-ZJUUUORDSA-N 0 0 226.707 2.450 10 0 BEAERN CCCN(CC(F)(F)F)[C@@H](C)C(=O)OCC ZINC000043638901 169107382 /nfs/dbraw/zinc/10/73/82/169107382.db2.gz NUXOPCSPFQBELH-QMMMGPOBSA-N 0 0 241.253 2.212 10 0 BEAERN O[C@H]1CCC[C@H](Oc2ccc3n[nH]cc3c2)C1 ZINC000089196707 183237136 /nfs/dbraw/zinc/23/71/36/183237136.db2.gz DVFXNPCOKKRVMJ-QWRGUYRKSA-N 0 0 232.283 2.245 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1cc(F)c(F)cc1F ZINC000061094033 183237239 /nfs/dbraw/zinc/23/72/39/183237239.db2.gz ZSTXSEFGWZGDQU-ONGXEEELSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1nccc2occc21 ZINC000230918883 183237775 /nfs/dbraw/zinc/23/77/75/183237775.db2.gz VNWMHNDJVFEESN-ONGXEEELSA-N 0 0 232.283 2.401 10 0 BEAERN Oc1ccc2c(c1)OC[C@@H]2NCc1ccccn1 ZINC000019957836 183281586 /nfs/dbraw/zinc/28/15/86/183281586.db2.gz NPLBSORIXMYRGE-ZDUSSCGKSA-N 0 0 242.278 2.011 10 0 BEAERN Oc1ccc(N(CCF)CCF)cc1 ZINC000027561690 183274941 /nfs/dbraw/zinc/27/49/41/183274941.db2.gz YEQWVVNWMTWOKD-UHFFFAOYSA-N 0 0 201.216 2.138 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000122447852 169137188 /nfs/dbraw/zinc/13/71/88/169137188.db2.gz SZQZPIVMJIIRKY-ZYHUDNBSSA-N 0 0 225.332 2.203 10 0 BEAERN Oc1cc2c(c(O)c1Br)CCC2 ZINC000257352849 183260388 /nfs/dbraw/zinc/26/03/88/183260388.db2.gz NUDIQUAZROUGIU-UHFFFAOYSA-N 0 0 229.073 2.349 10 0 BEAERN CCCN(C[C@H]1CCCCO1)C(=O)C(C)C ZINC000106695206 169173161 /nfs/dbraw/zinc/17/31/61/169173161.db2.gz KWYAXKUITPNTQS-GFCCVEGCSA-N 0 0 227.348 2.450 10 0 BEAERN CCCN(C[C@H]1CCCCO1)C(=O)NC1CC1 ZINC000106505395 169173788 /nfs/dbraw/zinc/17/37/88/169173788.db2.gz FUMYESFLRGVOCH-GFCCVEGCSA-N 0 0 240.347 2.140 10 0 BEAERN CCCN(c1cc(C(=O)NC)ccc1N)C(C)C ZINC000103953602 169182903 /nfs/dbraw/zinc/18/29/03/169182903.db2.gz MWPASKUEHRCYRP-UHFFFAOYSA-N 0 0 249.358 2.253 10 0 BEAERN CCC[NH+]1CCN([C@@H](C)c2ccc(N)cc2)CC1 ZINC000048607927 169202727 /nfs/dbraw/zinc/20/27/27/169202727.db2.gz WWFBOGIMCFGXPN-ZDUSSCGKSA-N 0 0 247.386 2.357 10 0 BEAERN O=c1[nH]ncn2nc(-c3ccc(Cl)cc3)cc12 ZINC000034437245 183310019 /nfs/dbraw/zinc/31/00/19/183310019.db2.gz XWRIYENVXHEQHF-UHFFFAOYSA-N 0 0 246.657 2.150 10 0 BEAERN S=C1NCCN1Cc1ccc(Cl)cc1 ZINC000045364606 183312580 /nfs/dbraw/zinc/31/25/80/183312580.db2.gz WVPKXFALOFLEAT-UHFFFAOYSA-N 0 0 226.732 2.030 10 0 BEAERN CCCNC(=O)CNc1nccc2sccc21 ZINC000036781181 169230645 /nfs/dbraw/zinc/23/06/45/169230645.db2.gz DOJFPVSKHIWZIR-UHFFFAOYSA-N 0 0 249.339 2.234 10 0 BEAERN CCCN1NC(=O)C[C@H]1c1ccc(F)cc1 ZINC000005834222 169211978 /nfs/dbraw/zinc/21/19/78/169211978.db2.gz AEKOTLJUXIMRNN-NSHDSACASA-N 0 0 222.263 2.014 10 0 BEAERN c1cc(NC[C@@H]2CCCO2)cc2c1OCO2 ZINC000020056415 183369710 /nfs/dbraw/zinc/36/97/10/183369710.db2.gz UAFJOSDWCJXCCK-JTQLQIEISA-N 0 0 221.256 2.006 10 0 BEAERN c1cnn(-c2ccccc2-c2ncc[nH]2)c1 ZINC000034604596 183386393 /nfs/dbraw/zinc/38/63/93/183386393.db2.gz ODVUFTJHAZJOND-UHFFFAOYSA-N 0 0 210.240 2.262 10 0 BEAERN CCCNC(=O)N(CC)Cc1cccc(N)c1 ZINC000035364228 169234397 /nfs/dbraw/zinc/23/43/97/169234397.db2.gz ZMSAIUNIYNAWJC-UHFFFAOYSA-N 0 0 235.331 2.210 10 0 BEAERN CCCNC(=O)Nc1ccc(Cl)cc1N ZINC000020256280 169240334 /nfs/dbraw/zinc/24/03/34/169240334.db2.gz WIFDBNHAMUWFPI-UHFFFAOYSA-N 0 0 227.695 2.454 10 0 BEAERN c1cn(-c2ccccc2N[C@H]2CCOC2)cn1 ZINC000104072077 183385885 /nfs/dbraw/zinc/38/58/85/183385885.db2.gz CDLONGUWTIXVQN-NSHDSACASA-N 0 0 229.283 2.073 10 0 BEAERN CCCNC(=O)c1c(C)c(C)sc1N ZINC000104277364 169249431 /nfs/dbraw/zinc/24/94/31/169249431.db2.gz JBLVEANKRZUCSJ-UHFFFAOYSA-N 0 0 212.318 2.087 10 0 BEAERN c1ccc(C2=NNc3ncccc3N2)cc1 ZINC000039209994 183389422 /nfs/dbraw/zinc/38/94/22/183389422.db2.gz WYQNRDUEMYOFAH-UHFFFAOYSA-N 0 0 210.240 2.281 10 0 BEAERN c1ccc(C2=NNc3ccncc3N2)cc1 ZINC000039209440 183389693 /nfs/dbraw/zinc/38/96/93/183389693.db2.gz SOBLOUXFQFKCKH-UHFFFAOYSA-N 0 0 210.240 2.281 10 0 BEAERN CCCN[C@@H](c1cn[nH]c1)c1nccn1CCC ZINC000062779850 169281085 /nfs/dbraw/zinc/28/10/85/169281085.db2.gz ARNKTTLZGSZDQI-LBPRGKRZSA-N 0 0 247.346 2.105 10 0 BEAERN CCCOC(=O)c1ccc2cnccc2c1N ZINC000037607022 169301880 /nfs/dbraw/zinc/30/18/80/169301880.db2.gz GDJSMOTZLQAUCB-UHFFFAOYSA-N 0 0 230.267 2.384 10 0 BEAERN c1ccc(Nc2ncnc3nsnc32)cc1 ZINC000001672334 183419514 /nfs/dbraw/zinc/41/95/14/183419514.db2.gz YELMFEZHVYUBHK-UHFFFAOYSA-N 0 0 229.268 2.225 10 0 BEAERN CCCOCC(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000371177107 169304381 /nfs/dbraw/zinc/30/43/81/169304381.db2.gz RKZIOSPZZTVLOE-NWDGAFQWSA-N 0 0 225.332 2.204 10 0 BEAERN CCCOCC(=O)NC1CCC(CC)CC1 ZINC000124062084 169305253 /nfs/dbraw/zinc/30/52/53/169305253.db2.gz FXUHVKRLNBNCIC-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN CCCOCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000068522617 169305720 /nfs/dbraw/zinc/30/57/20/169305720.db2.gz ZBRHNKRNTHPTDQ-JTQLQIEISA-N 0 0 225.288 2.192 10 0 BEAERN CCCO[C@@H]1CCC[N@H+](CCCCC(=O)[O-])C1 ZINC000042423199 169310558 /nfs/dbraw/zinc/31/05/58/169310558.db2.gz WWPDVDZRJISBCE-GFCCVEGCSA-N 0 0 243.347 2.132 10 0 BEAERN CCCOCc1noc(C(OCC)OCC)n1 ZINC000104320204 169310622 /nfs/dbraw/zinc/31/06/22/169310622.db2.gz NQTYFSFFSNWMEW-UHFFFAOYSA-N 0 0 244.291 2.068 10 0 BEAERN CCCOc1cc(N)nc(C(C)(C)C)n1 ZINC000082492601 169315470 /nfs/dbraw/zinc/31/54/70/169315470.db2.gz WTUNKNGZPLWYFV-UHFFFAOYSA-N 0 0 209.293 2.145 10 0 BEAERN CCCOc1cc(NCC(C)C)ncn1 ZINC000082482319 169315722 /nfs/dbraw/zinc/31/57/22/169315722.db2.gz KFUSXBOVKVNEEK-UHFFFAOYSA-N 0 0 209.293 2.333 10 0 BEAERN CCCOc1cc(N[C@H](C)CC)ncn1 ZINC000082482314 169315775 /nfs/dbraw/zinc/31/57/75/169315775.db2.gz DTCDPRGBEFQGGH-SECBINFHSA-N 0 0 209.293 2.476 10 0 BEAERN c1ccc2[nH]c(CNCc3ccncc3)nc2c1 ZINC000048435696 183434978 /nfs/dbraw/zinc/43/49/78/183434978.db2.gz PRORHNXJNDABHW-UHFFFAOYSA-N 0 0 238.294 2.248 10 0 BEAERN CCCNc1cc(-c2cccnc2)[nH]n1 ZINC000062668124 169293435 /nfs/dbraw/zinc/29/34/35/169293435.db2.gz YYXWFLQDQUHJDX-UHFFFAOYSA-N 0 0 202.261 2.294 10 0 BEAERN CCCNc1cc(-n2cnnn2)ccc1Cl ZINC000037005183 169293596 /nfs/dbraw/zinc/29/35/96/169293596.db2.gz DYYJAKDCSRLYRC-UHFFFAOYSA-N 0 0 237.694 2.138 10 0 BEAERN CCCNc1cc(C(N)=O)cc(F)c1C ZINC000037120278 169293710 /nfs/dbraw/zinc/29/37/10/169293710.db2.gz JNZIIFHKHYVADL-UHFFFAOYSA-N 0 0 210.252 2.055 10 0 BEAERN CCCNc1nc(-c2ncccc2C)no1 ZINC000053750486 169295612 /nfs/dbraw/zinc/29/56/12/169295612.db2.gz SWVVLPVHEXNVMX-UHFFFAOYSA-N 0 0 218.260 2.262 10 0 BEAERN CCCNc1ncc(C(=O)N(C)C)cc1Cl ZINC000050723931 169296815 /nfs/dbraw/zinc/29/68/15/169296815.db2.gz PMPYBBXLOVWPTP-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN CCC[C@@H](C(=O)NCc1ccnn1C)C(C)C ZINC000135550245 169344830 /nfs/dbraw/zinc/34/48/30/169344830.db2.gz BPSRAYDMEFDVMI-GFCCVEGCSA-N 0 0 237.347 2.109 10 0 BEAERN CCCOc1ccc([C@@H]2CNC(=O)O2)cc1 ZINC000075456315 169321687 /nfs/dbraw/zinc/32/16/87/169321687.db2.gz OUCDPNWBRQQUQY-NSHDSACASA-N 0 0 221.256 2.256 10 0 BEAERN CCCOc1ccc([C@H](O)c2cnccn2)cc1 ZINC000055262962 169322610 /nfs/dbraw/zinc/32/26/10/169322610.db2.gz YVSMCAMKNKJLFP-AWEZNQCLSA-N 0 0 244.294 2.347 10 0 BEAERN CCCOc1cccc(-c2cc(N)n[nH]2)c1 ZINC000061667838 169324193 /nfs/dbraw/zinc/32/41/93/169324193.db2.gz VXWSHVHBMNMGDG-UHFFFAOYSA-N 0 0 217.272 2.448 10 0 BEAERN CCCOc1ccccc1C[NH2+]CCC(=O)[O-] ZINC000041689207 169327089 /nfs/dbraw/zinc/32/70/89/169327089.db2.gz UZLCPBCXJNWVOY-UHFFFAOYSA-N 0 0 237.299 2.040 10 0 BEAERN CCCOc1nc(-n2nc(C)cc2C)ccc1N ZINC000037068184 169328016 /nfs/dbraw/zinc/32/80/16/169328016.db2.gz BTNKLKUDIRNTHH-UHFFFAOYSA-N 0 0 246.314 2.255 10 0 BEAERN CCCOc1nc(N2CCCC2)ccc1N ZINC000037066254 169328453 /nfs/dbraw/zinc/32/84/53/169328453.db2.gz JRBMRPUVOATANT-UHFFFAOYSA-N 0 0 221.304 2.053 10 0 BEAERN CCCOc1ncnc(N[C@H](C)CC)c1N ZINC000082488387 169328555 /nfs/dbraw/zinc/32/85/55/169328555.db2.gz MKMREPJFOISLFH-MRVPVSSYSA-N 0 0 224.308 2.058 10 0 BEAERN c1cnc(N[C@@H]2CCc3ccccc3C2)nc1 ZINC000051449022 183482459 /nfs/dbraw/zinc/48/24/59/183482459.db2.gz MBCVEIVLVZHDSO-CYBMUJFWSA-N 0 0 225.295 2.446 10 0 BEAERN CCC[C@@H](C)N(C)c1ncnc(Cl)c1N ZINC000062362819 169366061 /nfs/dbraw/zinc/36/60/61/169366061.db2.gz HKFHARVPADZNPM-SSDOTTSWSA-N 0 0 228.727 2.337 10 0 BEAERN CCC[C@@H](C)NC(=O)[C@H]1CNc2ccccc2O1 ZINC000019424450 169368577 /nfs/dbraw/zinc/36/85/77/169368577.db2.gz DGEHTLYWYLCFAR-ZWNOBZJWSA-N 0 0 248.326 2.164 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000377241688 169348367 /nfs/dbraw/zinc/34/83/67/169348367.db2.gz RCBHYMXQGXGHCT-VXGBXAGGSA-N 0 0 227.348 2.044 10 0 BEAERN CCC[C@@H](C)CN[C@@H](C(=O)OC)C(C)C ZINC000069610215 169360094 /nfs/dbraw/zinc/36/00/94/169360094.db2.gz UZWJGDUPJSTRLD-GHMZBOCLSA-N 0 0 215.337 2.210 10 0 BEAERN CCC[C@@H](C)Nc1cc2c(cc1N)CC(=O)N2 ZINC000035345211 169371165 /nfs/dbraw/zinc/37/11/65/169371165.db2.gz JDAFBOFDIUQRTQ-MRVPVSSYSA-N 0 0 233.315 2.364 10 0 BEAERN CCC[C@@H](C)Nc1cc(-n2cnnn2)ccc1F ZINC000037773573 169371783 /nfs/dbraw/zinc/37/17/83/169371783.db2.gz YODWJIKZJAQIMA-SECBINFHSA-N 0 0 249.293 2.402 10 0 BEAERN O=C(CC1CCC1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181368582 134335622 /nfs/dbraw/zinc/33/56/22/134335622.db2.gz BVRADAHDHGVNPI-NSHDSACASA-N 0 0 248.330 2.049 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC1CCSCC1 ZINC000195475594 259607240 /nfs/dbraw/zinc/60/72/40/259607240.db2.gz DDMXVHGAQJKWBT-VIFPVBQESA-N 0 0 230.377 2.226 10 0 BEAERN CCC[C@H](C)CNc1ccc2c(c1)C(=O)NC2=O ZINC000020093074 169483282 /nfs/dbraw/zinc/48/32/82/169483282.db2.gz AZPKALQSUKZTQF-VIFPVBQESA-N 0 0 246.310 2.418 10 0 BEAERN CCC[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000002042058 169490518 /nfs/dbraw/zinc/49/05/18/169490518.db2.gz MEVAQQNEPXNEFX-VIFPVBQESA-N 0 0 217.268 2.471 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CC(=O)C12CCC2 ZINC000390822225 166665879 /nfs/dbraw/zinc/66/58/79/166665879.db2.gz WAWMGPASQBFAMC-MRVPVSSYSA-N 0 0 225.288 2.023 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(F)n1 ZINC000125310833 169537863 /nfs/dbraw/zinc/53/78/63/169537863.db2.gz JLJZRYVSBKWASL-WCBMZHEXSA-N 0 0 222.263 2.139 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc2[nH]cnc2c1 ZINC000075559385 169538365 /nfs/dbraw/zinc/53/83/65/169538365.db2.gz JLCGRLQGBGGRRW-JOYOIKCWSA-N 0 0 243.310 2.481 10 0 BEAERN CCCc1cc(NC(=O)c2ccncc2)n[nH]1 ZINC000109911056 169567217 /nfs/dbraw/zinc/56/72/17/169567217.db2.gz DDJBPOQQGBDDNS-UHFFFAOYSA-N 0 0 230.271 2.010 10 0 BEAERN CCCc1nc(-c2cc(C)ccc2N)n[nH]1 ZINC000041058616 169582305 /nfs/dbraw/zinc/58/23/05/169582305.db2.gz WSBLZFCTXPLGMG-UHFFFAOYSA-N 0 0 216.288 2.315 10 0 BEAERN CCCc1noc(-c2cc(N)nc(Cl)c2)n1 ZINC000265072995 169599959 /nfs/dbraw/zinc/59/99/59/169599959.db2.gz XSTJZXKDPWCBJU-UHFFFAOYSA-N 0 0 238.678 2.320 10 0 BEAERN CCCc1nsc(Br)n1 ZINC000083669852 169604913 /nfs/dbraw/zinc/60/49/13/169604913.db2.gz WIOYJDOLTKPSGJ-UHFFFAOYSA-N 0 0 207.096 2.253 10 0 BEAERN CCCn1c2ccccc2nc1-c1c[nH]nc1N ZINC000035056328 169610357 /nfs/dbraw/zinc/61/03/57/169610357.db2.gz OFAGZWZBUUQGOC-UHFFFAOYSA-N 0 0 241.298 2.419 10 0 BEAERN CC(C)(C)Sc1ccc(C(N)=O)cc1N ZINC000035332215 166692780 /nfs/dbraw/zinc/69/27/80/166692780.db2.gz KPWIQFHJUZSCMX-UHFFFAOYSA-N 0 0 224.329 2.258 10 0 BEAERN CO[C@@H]1C[C@H](NC(=O)OC(C)C)C12CCC2 ZINC000496680918 532961507 /nfs/dbraw/zinc/96/15/07/532961507.db2.gz WRJUFSREJYGTKR-VHSXEESVSA-N 0 0 227.304 2.079 10 0 BEAERN CCN(C(=O)c1sccc1N)C(C)C ZINC000040302638 169663519 /nfs/dbraw/zinc/66/35/19/169663519.db2.gz POQZSGNIJCNORA-UHFFFAOYSA-N 0 0 212.318 2.201 10 0 BEAERN N#Cc1cc(F)cc(OC(F)(F)F)c1CO ZINC000575644968 383819729 /nfs/dbraw/zinc/81/97/29/383819729.db2.gz CIIQTCYASGZCDX-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CSc1cncc(NCCOCC(C)C)n1 ZINC000131678665 383842469 /nfs/dbraw/zinc/84/24/69/383842469.db2.gz DGBRBCDQNZEQSH-UHFFFAOYSA-N 0 0 241.360 2.283 10 0 BEAERN CO[C@H](C)C(=O)Nc1nc(C(C)C)cs1 ZINC000048655787 383858426 /nfs/dbraw/zinc/85/84/26/383858426.db2.gz MOIHWXWFGGEJNV-SSDOTTSWSA-N 0 0 228.317 2.240 10 0 BEAERN CCONC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111437507 383860804 /nfs/dbraw/zinc/86/08/04/383860804.db2.gz PVRXHSSGMCUGAW-RYUDHWBXSA-N 0 0 234.299 2.041 10 0 BEAERN CC(C)(C)[C@@H](O)CNc1ccnc(C2CC2)n1 ZINC000112334565 383915529 /nfs/dbraw/zinc/91/55/29/383915529.db2.gz ILYVLMQDQCVTDR-JTQLQIEISA-N 0 0 235.331 2.173 10 0 BEAERN CC(C)c1ccnc(-c2nsc(N)n2)c1 ZINC000067173689 383915968 /nfs/dbraw/zinc/91/59/68/383915968.db2.gz ALTVJHBPHIJAAX-UHFFFAOYSA-N 0 0 220.301 2.306 10 0 BEAERN CCCn1ncnc1CN[C@H](C)c1ccc(C)o1 ZINC000088589959 383915991 /nfs/dbraw/zinc/91/59/91/383915991.db2.gz OWPRILQBSLWNDK-LLVKDONJSA-N 0 0 248.330 2.440 10 0 BEAERN [NH3+]Cc1ccncc1OCc1ccccc1 ZINC000089064992 383930205 /nfs/dbraw/zinc/93/02/05/383930205.db2.gz RSPRNXJIYWXVOP-UHFFFAOYSA-N 0 0 214.268 2.119 10 0 BEAERN COc1ccc(OC[C@H]2CCCO2)c(C=O)c1 ZINC000037022116 383931276 /nfs/dbraw/zinc/93/12/76/383931276.db2.gz KXDUVKFWKLKEMF-GFCCVEGCSA-N 0 0 236.267 2.066 10 0 BEAERN Clc1nsnc1-n1cnc2c1CCCC2 ZINC000127355285 383886078 /nfs/dbraw/zinc/88/60/78/383886078.db2.gz QWFZHAKYTRISQA-UHFFFAOYSA-N 0 0 240.719 2.256 10 0 BEAERN CCC1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC000175270301 383893496 /nfs/dbraw/zinc/89/34/96/383893496.db2.gz JNXUBSGCIGIDTN-UHFFFAOYSA-N 0 0 235.331 2.037 10 0 BEAERN Fc1ccc(CNc2cccnn2)c(F)c1 ZINC000052831384 383994741 /nfs/dbraw/zinc/99/47/41/383994741.db2.gz JVQDLEUAENSLFU-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Cn1c2ccccc2nc1NC[C@H]1CCC[C@H]1O ZINC000089167090 383939958 /nfs/dbraw/zinc/93/99/58/383939958.db2.gz MPKXTTXHRGJOHB-ZWNOBZJWSA-N 0 0 245.326 2.146 10 0 BEAERN CC(C)(C)OC(=O)n1cnc2ccc(N)cc21 ZINC000089194963 383940853 /nfs/dbraw/zinc/94/08/53/383940853.db2.gz ZMEJJWSYTVJMST-UHFFFAOYSA-N 0 0 233.271 2.402 10 0 BEAERN COC(=O)c1cn2cccc(C(F)(F)F)c2n1 ZINC000089201701 383944868 /nfs/dbraw/zinc/94/48/68/383944868.db2.gz HHDUJZFMAASDTK-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN COc1c2c(cc(OC(C)C)c1C)C(=O)NC2 ZINC000089211067 383947423 /nfs/dbraw/zinc/94/74/23/383947423.db2.gz DDCRNGGQTULVAM-UHFFFAOYSA-N 0 0 235.283 2.034 10 0 BEAERN FC(F)(F)[C@@]1(c2ccccc2)CNCCO1 ZINC000068576353 384000345 /nfs/dbraw/zinc/00/03/45/384000345.db2.gz KXTYEXKCDGYDSI-JTQLQIEISA-N 0 0 231.217 2.064 10 0 BEAERN Cc1ccc2c(cnn2C(=O)c2ccccc2)n1 ZINC000089219873 383949869 /nfs/dbraw/zinc/94/98/69/383949869.db2.gz BCYKYOPBCIXGOI-UHFFFAOYSA-N 0 0 237.262 2.428 10 0 BEAERN COC(=O)c1nc(Cl)cc2[nH]ccc21 ZINC000089220784 383950325 /nfs/dbraw/zinc/95/03/25/383950325.db2.gz GXTACNNEVCFPJY-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN C[C@H](CCc1ccco1)[NH2+]Cc1cncnc1 ZINC000054767124 383955136 /nfs/dbraw/zinc/95/51/36/383955136.db2.gz YOAHGVMGASOXQS-LLVKDONJSA-N 0 0 231.299 2.181 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089410341 383964255 /nfs/dbraw/zinc/96/42/55/383964255.db2.gz MXIRHRDQGPRJSP-JTQLQIEISA-N 0 0 249.310 2.419 10 0 BEAERN N#Cc1ccc(C=O)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575649471 383971447 /nfs/dbraw/zinc/97/14/47/383971447.db2.gz NGDBEGKBADMFON-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN Cc1ccncc1NC[C@H]1CCC=CO1 ZINC000070958483 383971766 /nfs/dbraw/zinc/97/17/66/383971766.db2.gz DCYHSGWNZXNYFS-LLVKDONJSA-N 0 0 204.273 2.495 10 0 BEAERN Cc1nsc(Oc2ccc(CCO)cc2)n1 ZINC000221034221 383974363 /nfs/dbraw/zinc/97/43/63/383974363.db2.gz MHYZYTNFDIQJTM-UHFFFAOYSA-N 0 0 236.296 2.174 10 0 BEAERN CCc1c(C#N)ccc([N+](=O)[O-])c1OC ZINC000575650082 384021625 /nfs/dbraw/zinc/02/16/25/384021625.db2.gz VVXBSIJTIPXNEF-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN C[C@@H]1CN(c2ccc(Cl)cn2)C[C@@H](C)O1 ZINC000090345049 384043579 /nfs/dbraw/zinc/04/35/79/384043579.db2.gz KKFIKFLFOVEIKN-RKDXNWHRSA-N 0 0 226.707 2.349 10 0 BEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCCO ZINC000038613752 384088470 /nfs/dbraw/zinc/08/84/70/384088470.db2.gz VBXWUOYNNYFRAX-FRRDWIJNSA-N 0 0 241.375 2.193 10 0 BEAERN COc1ccc(C(F)(F)F)c(C=O)c1C#N ZINC000575645644 384090365 /nfs/dbraw/zinc/09/03/65/384090365.db2.gz DDKYPQIHZOKZCG-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCONC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000115644381 384090427 /nfs/dbraw/zinc/09/04/27/384090427.db2.gz LULYFRDIVFDUOB-SNVBAGLBSA-N 0 0 237.303 2.126 10 0 BEAERN O=C([O-])C1([NH+]2CCCCCC2)CCCC1 ZINC000038086380 384066231 /nfs/dbraw/zinc/06/62/31/384066231.db2.gz KEAKSKWYPOSVIL-UHFFFAOYSA-N 0 0 211.305 2.260 10 0 BEAERN CCOC(=O)c1c(F)c(F)cc(OC)c1F ZINC000260047920 384072001 /nfs/dbraw/zinc/07/20/01/384072001.db2.gz HXTRRWVFYHZWFF-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN CCN(C(=O)C1CC1)[C@H](C)c1cccnc1 ZINC000115231070 384072603 /nfs/dbraw/zinc/07/26/03/384072603.db2.gz BVNLJMXXFLUWKP-SNVBAGLBSA-N 0 0 218.300 2.401 10 0 BEAERN c1ncc(CN[C@@H]2COc3ccccc32)s1 ZINC000070068865 384075849 /nfs/dbraw/zinc/07/58/49/384075849.db2.gz OOAFFYNNCIYNFG-LLVKDONJSA-N 0 0 232.308 2.366 10 0 BEAERN Cn1c(CSCCCF)nnc1C1CC1 ZINC000091036818 384096116 /nfs/dbraw/zinc/09/61/16/384096116.db2.gz BOPCNVBNLKYMPZ-UHFFFAOYSA-N 0 0 229.324 2.285 10 0 BEAERN Cn1nc(-c2ccccc2)c2c1CCC[C@H]2O ZINC000072415116 384097276 /nfs/dbraw/zinc/09/72/76/384097276.db2.gz OJVWFBVNYVEIBL-GFCCVEGCSA-N 0 0 228.295 2.457 10 0 BEAERN CC(C)(C)[C@H]1NS(=O)(=O)c2ccccc21 ZINC000038858024 384097325 /nfs/dbraw/zinc/09/73/25/384097325.db2.gz OHTMJLXKKSHARP-JTQLQIEISA-N 0 0 225.313 2.066 10 0 BEAERN O=C1CCC(c2nccnc2Cl)CC1 ZINC000115806606 384097825 /nfs/dbraw/zinc/09/78/25/384097825.db2.gz SLRPRMMGLOYTDT-UHFFFAOYSA-N 0 0 210.664 2.357 10 0 BEAERN Cc1c([C@@H](C)O)cnn1-c1ccccc1 ZINC000072415124 384097999 /nfs/dbraw/zinc/09/79/99/384097999.db2.gz MLTCUJNPBJQULA-SNVBAGLBSA-N 0 0 202.257 2.234 10 0 BEAERN CCc1ccc([C@H](O)c2ccncc2O)cc1 ZINC000039102841 384103040 /nfs/dbraw/zinc/10/30/40/384103040.db2.gz BZGQYGKEDOQWMU-AWEZNQCLSA-N 0 0 229.279 2.431 10 0 BEAERN CNc1ccc2c(C)nc(CC(C)C)n2n1 ZINC000039110027 384105275 /nfs/dbraw/zinc/10/52/75/384105275.db2.gz XWCWQVVQFWADPN-UHFFFAOYSA-N 0 0 218.304 2.278 10 0 BEAERN Cc1ccc2c(n1)CCc1c[nH]c(=S)nc1-2 ZINC000072416432 384110511 /nfs/dbraw/zinc/11/05/11/384110511.db2.gz NLRDJMKUTAAMTE-UHFFFAOYSA-N 0 0 229.308 2.234 10 0 BEAERN c1ccc([C@H]2NN=C3CCCCN32)cc1 ZINC000072416246 384111472 /nfs/dbraw/zinc/11/14/72/384111472.db2.gz BRPBQFFECGJVMV-LBPRGKRZSA-N 0 0 201.273 2.088 10 0 BEAERN CC(C)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000091353159 384121234 /nfs/dbraw/zinc/12/12/34/384121234.db2.gz JUZIMGUWBKZUKA-ZDUSSCGKSA-N 0 0 243.347 2.404 10 0 BEAERN C[C@@]1(c2nc(Cl)no2)CCCS1 ZINC000156594667 384125738 /nfs/dbraw/zinc/12/57/38/384125738.db2.gz HGAWTQKNHDTAHQ-ZETCQYMHSA-N 0 0 204.682 2.465 10 0 BEAERN CC(=O)c1ccc(OC(F)(F)F)cc1N ZINC000040441632 384151591 /nfs/dbraw/zinc/15/15/91/384151591.db2.gz UFFMJWAFMDSQPN-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN CCOC(=O)C1CCN(c2cccc(O)c2)CC1 ZINC000082312215 384154418 /nfs/dbraw/zinc/15/44/18/384154418.db2.gz WWCCQMBOIYMIMI-UHFFFAOYSA-N 0 0 249.310 2.172 10 0 BEAERN CC(C)(C)N(C(=O)[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC000117814401 384182453 /nfs/dbraw/zinc/18/24/53/384182453.db2.gz BQNNNZFOPDAZLP-RKDXNWHRSA-N 0 0 214.309 2.035 10 0 BEAERN Cn1c(CO)cc2cc(Br)ccc21 ZINC000118631474 384207155 /nfs/dbraw/zinc/20/71/55/384207155.db2.gz DUOWCKQVIGZSJH-UHFFFAOYSA-N 0 0 240.100 2.433 10 0 BEAERN Cn1cc(-c2csc(Br)n2)cn1 ZINC000096985962 384274800 /nfs/dbraw/zinc/27/48/00/384274800.db2.gz DFVYDXQBPJZCNE-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN CONC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000133896858 384317675 /nfs/dbraw/zinc/31/76/75/384317675.db2.gz GUXAZMFLGPYUGO-SKDRFNHKSA-N 0 0 234.299 2.486 10 0 BEAERN Cc1ccc(C)n1-c1scnc1C=O ZINC000097758421 384282378 /nfs/dbraw/zinc/28/23/78/384282378.db2.gz GYOORSJTTWOEKW-UHFFFAOYSA-N 0 0 206.270 2.363 10 0 BEAERN COC(=O)C1=C(O)CC[C@@H](c2ccccc2)C1 ZINC000093954912 384283362 /nfs/dbraw/zinc/28/33/62/384283362.db2.gz QISHTJPQSJDTSQ-VXGBXAGGSA-N 0 0 232.279 2.312 10 0 BEAERN CCc1ncnc(N2CCS[C@@H](C)C2)c1F ZINC000159318035 384321942 /nfs/dbraw/zinc/32/19/42/384321942.db2.gz JNODAUGILOJEPU-QMMMGPOBSA-N 0 0 241.335 2.120 10 0 BEAERN COC(=O)c1ccccc1NC1CCC1 ZINC000044480592 384336103 /nfs/dbraw/zinc/33/61/03/384336103.db2.gz NJPKKYFUZOWBNQ-UHFFFAOYSA-N 0 0 205.257 2.438 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)Cc1cc(F)c(F)cc1F ZINC000120238234 384339729 /nfs/dbraw/zinc/33/97/29/384339729.db2.gz CXGBDCVBVDMWHQ-KSBSHMNSSA-N 0 0 243.228 2.171 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000134269730 384342801 /nfs/dbraw/zinc/34/28/01/384342801.db2.gz BUICSGJONWUGLL-SKDRFNHKSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000134269493 384344135 /nfs/dbraw/zinc/34/41/35/384344135.db2.gz AQBVQFOYPTWKQS-CABZTGNLSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Cl)nc1 ZINC000075958575 384348831 /nfs/dbraw/zinc/34/88/31/384348831.db2.gz BRSLXJKIEMZWHS-SVRRBLITSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1ccccc1 ZINC000075982686 384350893 /nfs/dbraw/zinc/35/08/93/384350893.db2.gz KOVDVAKDHYQTLD-PWSUYJOCSA-N 0 0 218.300 2.236 10 0 BEAERN COC(=O)c1ccc(-c2csc(N)n2)s1 ZINC000095093161 384363522 /nfs/dbraw/zinc/36/35/22/384363522.db2.gz DSCWKEYMBPGWEB-UHFFFAOYSA-N 0 0 240.309 2.240 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000134572037 384368054 /nfs/dbraw/zinc/36/80/54/384368054.db2.gz YVLRTDKMKMHTNM-BDAKNGLRSA-N 0 0 217.272 2.152 10 0 BEAERN CC(C)Cc1nc(C(=O)N[C@@H]2C[C@@H]2C)cs1 ZINC000075511904 384328048 /nfs/dbraw/zinc/32/80/48/384328048.db2.gz LCIMIKZUUVBIEU-DTWKUNHWSA-N 0 0 238.356 2.480 10 0 BEAERN COCOc1cnc(Cl)cc1/C=C/N(C)C ZINC000095348350 384373023 /nfs/dbraw/zinc/37/30/23/384373023.db2.gz PMUBFQAKJVGUSE-SNAWJCMRSA-N 0 0 242.706 2.250 10 0 BEAERN COc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1C ZINC000075524504 384329318 /nfs/dbraw/zinc/32/93/18/384329318.db2.gz WZBYLSRJVQXQLK-KOLCDFICSA-N 0 0 219.284 2.142 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1cccs1 ZINC000075531151 384329656 /nfs/dbraw/zinc/32/96/56/384329656.db2.gz HHFNVDCXKIXHDZ-SCZZXKLOSA-N 0 0 209.314 2.205 10 0 BEAERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1OC ZINC000075521640 384330176 /nfs/dbraw/zinc/33/01/76/384330176.db2.gz SVTMBYYBWUZXTG-GXSJLCMTSA-N 0 0 249.310 2.232 10 0 BEAERN Cc1nc(N)nc(C(F)(F)F)c1Cl ZINC000095830189 384399372 /nfs/dbraw/zinc/39/93/72/384399372.db2.gz CJWMWRXAKMEDSX-UHFFFAOYSA-N 0 0 211.574 2.039 10 0 BEAERN CC(C)(C)OC[C@H]1CCC[C@H](NC(N)=O)C1 ZINC000095829888 384399411 /nfs/dbraw/zinc/39/94/11/384399411.db2.gz OZHJLDAAMKVCCJ-UWVGGRQHSA-N 0 0 228.336 2.029 10 0 BEAERN Cc1cnccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000121180790 384400572 /nfs/dbraw/zinc/40/05/72/384400572.db2.gz UCAUFXSSUZSSDB-QWRGUYRKSA-N 0 0 249.314 2.031 10 0 BEAERN CCOC(=O)[C@@H]1CCCCN1c1cccnc1 ZINC000095830314 384400824 /nfs/dbraw/zinc/40/08/24/384400824.db2.gz JWJALRGXLHPRGR-LBPRGKRZSA-N 0 0 234.299 2.004 10 0 BEAERN COc1ccc(C=O)c(F)c1OC(F)F ZINC000575659643 384403173 /nfs/dbraw/zinc/40/31/73/384403173.db2.gz HWOORTYYYIGUNA-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN Cc1nc(CN2[C@H](C)COC[C@@H]2C)cs1 ZINC000077367614 384404006 /nfs/dbraw/zinc/40/40/06/384404006.db2.gz LDOVJBWESHIGDS-DTORHVGOSA-N 0 0 226.345 2.061 10 0 BEAERN Clc1nccn2nc([C@@H]3CCCO3)cc12 ZINC000095883532 384405553 /nfs/dbraw/zinc/40/55/53/384405553.db2.gz KVARETAJCIHWGX-VIFPVBQESA-N 0 0 223.663 2.234 10 0 BEAERN CN1CC[C@H](c2ncccn2)c2ccccc21 ZINC000616674985 384409523 /nfs/dbraw/zinc/40/95/23/384409523.db2.gz HSNDJZDACKOZKP-LBPRGKRZSA-N 0 0 225.295 2.448 10 0 BEAERN Cc1cc(F)c(OC(F)F)c(CO)c1 ZINC000575660900 384411600 /nfs/dbraw/zinc/41/16/00/384411600.db2.gz CSCGRWISRFBYSW-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Nc1nc(Cl)nc2c1CCc1ccccc1-2 ZINC000095935167 384412487 /nfs/dbraw/zinc/41/24/87/384412487.db2.gz APNYURNNZIWBPX-UHFFFAOYSA-N 0 0 231.686 2.478 10 0 BEAERN C[C@H]1c2ccsc2CCN1C(=O)N(C)C ZINC000135885648 384415145 /nfs/dbraw/zinc/41/51/45/384415145.db2.gz UWVCRBFDSVSOGZ-QMMMGPOBSA-N 0 0 224.329 2.349 10 0 BEAERN C/C=C\C=C/C(=O)N1CC(=O)Nc2ccccc21 ZINC000095936655 384415178 /nfs/dbraw/zinc/41/51/78/384415178.db2.gz SSBKYOMVPWBUBO-UARZHTBLSA-N 0 0 242.278 2.104 10 0 BEAERN CC[C@@H](C)c1[nH]nc2nc(Cl)nc(N)c21 ZINC000095935945 384415285 /nfs/dbraw/zinc/41/52/85/384415285.db2.gz PKGNEBOHTBASLL-SCSAIBSYSA-N 0 0 225.683 2.102 10 0 BEAERN Cc1cc(F)cc(CO)c1OC(F)F ZINC000575661125 384415328 /nfs/dbraw/zinc/41/53/28/384415328.db2.gz JPNLTJAEMPQFIZ-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCOc1cc(C=O)ccc1-n1ccnc1 ZINC000095938047 384417100 /nfs/dbraw/zinc/41/71/00/384417100.db2.gz HMNALWUJNMKBTJ-UHFFFAOYSA-N 0 0 216.240 2.084 10 0 BEAERN CC(C)C[C@H](C)NC(=O)c1cnn2c1CCCC2 ZINC000121469886 384420898 /nfs/dbraw/zinc/42/08/98/384420898.db2.gz YMUYSLAPDLNGQY-NSHDSACASA-N 0 0 249.358 2.384 10 0 BEAERN CC(C)(C)OC(=O)N1CC(C(F)F)C1 ZINC000096032304 384422524 /nfs/dbraw/zinc/42/25/24/384422524.db2.gz NHKSMFCAJROIRQ-UHFFFAOYSA-N 0 0 207.220 2.118 10 0 BEAERN CCc1c(OC)ccc(CO)c1OC(F)F ZINC000575657672 384386231 /nfs/dbraw/zinc/38/62/31/384386231.db2.gz OLJLTJRQLFOTQC-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N2CCCC2)o1 ZINC000045289858 384386472 /nfs/dbraw/zinc/38/64/72/384386472.db2.gz DPBBQBSXZRNXEB-JTQLQIEISA-N 0 0 222.288 2.454 10 0 BEAERN CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC1(C)C ZINC000121008644 384390418 /nfs/dbraw/zinc/39/04/18/384390418.db2.gz RKTXHZMEJAYPHW-LBPRGKRZSA-N 0 0 233.311 2.397 10 0 BEAERN CCN(C)C(=O)N[C@H]1CCc2ccccc21 ZINC000121960070 384448578 /nfs/dbraw/zinc/44/85/78/384448578.db2.gz FZCRSFKNHQGPPX-LBPRGKRZSA-N 0 0 218.300 2.335 10 0 BEAERN Cc1cc(C=O)c(C(F)F)c(CO)c1 ZINC000575669483 384453551 /nfs/dbraw/zinc/45/35/51/384453551.db2.gz XNMSVMIRJBIHPM-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN COc1c(C)c(CO)ccc1OC(F)F ZINC000575664458 384427601 /nfs/dbraw/zinc/42/76/01/384427601.db2.gz FYLGVXXFIFOCOW-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1cc(CO)cc(C)c1OC(F)F ZINC000575664472 384427657 /nfs/dbraw/zinc/42/76/57/384427657.db2.gz GIWGSXXLPIJCFS-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1ccc(OC(F)F)c(O)c1C ZINC000575665628 384431951 /nfs/dbraw/zinc/43/19/51/384431951.db2.gz RQWUZEBZHOWINC-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082699276 384438258 /nfs/dbraw/zinc/43/82/58/384438258.db2.gz DFGMFRKSFIJVLX-GHMZBOCLSA-N 0 0 240.347 2.090 10 0 BEAERN COc1ccc(OC(F)F)c(C)c1O ZINC000575666667 384439098 /nfs/dbraw/zinc/43/90/98/384439098.db2.gz YEKVULINDJQVNG-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCOCCCC(=O)N(C)Cc1ccc(C)o1 ZINC000047047793 384442363 /nfs/dbraw/zinc/44/23/63/384442363.db2.gz MZQYUHQOSWOVDX-UHFFFAOYSA-N 0 0 239.315 2.363 10 0 BEAERN CC(C)CN1c2cc(N)ccc2O[C@@H](C)C1=O ZINC000011568943 384460776 /nfs/dbraw/zinc/46/07/76/384460776.db2.gz LCVLSQBMJYJMNP-VIFPVBQESA-N 0 0 234.299 2.039 10 0 BEAERN COc1cc(OC)c(O)c(C(F)F)c1 ZINC000575672135 384464035 /nfs/dbraw/zinc/46/40/35/384464035.db2.gz YKMFHGXVOHXHBG-UHFFFAOYSA-N 0 0 204.172 2.347 10 0 BEAERN C[C@@H](O)C(C)(C)Nc1nc2ccccc2o1 ZINC000122309752 384474492 /nfs/dbraw/zinc/47/44/92/384474492.db2.gz FZYYTUDKASAKRL-MRVPVSSYSA-N 0 0 220.272 2.399 10 0 BEAERN C[C@H](O)C(C)(C)Nc1nc2ccccc2o1 ZINC000122309558 384474883 /nfs/dbraw/zinc/47/48/83/384474883.db2.gz FZYYTUDKASAKRL-QMMMGPOBSA-N 0 0 220.272 2.399 10 0 BEAERN O=Cc1ccc(OCC(=O)c2ccco2)cc1 ZINC000048101963 384476334 /nfs/dbraw/zinc/47/63/34/384476334.db2.gz DTHVSJVCJBZXEZ-UHFFFAOYSA-N 0 0 230.219 2.354 10 0 BEAERN O=C([C@@H]1CC=CCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000149107244 384477499 /nfs/dbraw/zinc/47/74/99/384477499.db2.gz IQTPDJSDNFKSDP-CYBMUJFWSA-N 0 0 248.370 2.039 10 0 BEAERN COC(=O)[C@@H]1CC[C@H](c2ccc(C)cc2)CN1 ZINC000079026380 384480087 /nfs/dbraw/zinc/48/00/87/384480087.db2.gz YRQYNUYPGNPAHW-STQMWFEESA-N 0 0 233.311 2.004 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cc[nH]n2)C1 ZINC000079069527 384482134 /nfs/dbraw/zinc/48/21/34/384482134.db2.gz WLWKRGQGMWUYIB-SECBINFHSA-N 0 0 237.303 2.134 10 0 BEAERN CCCc1nccc(Br)n1 ZINC000044117036 384510499 /nfs/dbraw/zinc/51/04/99/384510499.db2.gz OTLMZJCUDJXXQP-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN CCONC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000161712211 384518735 /nfs/dbraw/zinc/51/87/35/384518735.db2.gz CNTLFGISYJERIU-GWCFXTLKSA-N 0 0 248.326 2.479 10 0 BEAERN CONC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000161721406 384519174 /nfs/dbraw/zinc/51/91/74/384519174.db2.gz YAOYUGVEFSUIHV-CABZTGNLSA-N 0 0 234.299 2.089 10 0 BEAERN C[NH2+][C@@]1(c2nccs2)CCCSC1 ZINC000061590710 384519909 /nfs/dbraw/zinc/51/99/09/384519909.db2.gz YJPBZIVLOHXVNU-VIFPVBQESA-N 0 0 214.359 2.085 10 0 BEAERN COC(=O)Cc1c(C)ccc(Cl)c1OC ZINC000260973759 384542012 /nfs/dbraw/zinc/54/20/12/384542012.db2.gz PYRXYMXDHMEFKV-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN Cc1[nH]c(=S)sc1CC(=O)N[C@H]1C[C@H]1C ZINC000171054845 384546512 /nfs/dbraw/zinc/54/65/12/384546512.db2.gz ZRSOTIVILPAFSP-VDTYLAMSSA-N 0 0 242.369 2.181 10 0 BEAERN CCC1(C(=O)NC[C@H]2CCCC[C@H]2O)CCC1 ZINC000176155151 384573186 /nfs/dbraw/zinc/57/31/86/384573186.db2.gz NCPBWEQPYFZFPV-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN Cc1ccc(F)c(OCC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000162135810 384576441 /nfs/dbraw/zinc/57/64/41/384576441.db2.gz CNMIEKCHGHFLHF-GXSJLCMTSA-N 0 0 237.274 2.038 10 0 BEAERN Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)nc1 ZINC000184233123 384583929 /nfs/dbraw/zinc/58/39/29/384583929.db2.gz UWJHBRFAGDMGJW-QWRGUYRKSA-N 0 0 249.314 2.079 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1COc2ccccc21 ZINC000151321506 384565280 /nfs/dbraw/zinc/56/52/80/384565280.db2.gz QXORPUWCXLMHSO-JTQLQIEISA-N 0 0 235.258 2.500 10 0 BEAERN CC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F ZINC000098210603 384604206 /nfs/dbraw/zinc/60/42/06/384604206.db2.gz HBRIAAIICOEFEL-SCSAIBSYSA-N 0 0 224.100 2.085 10 0 BEAERN CC(C)C[C@H](CO)CNC(=O)OC(C)(C)C ZINC000098210199 384604894 /nfs/dbraw/zinc/60/48/94/384604894.db2.gz WCYJANVXBIHYCS-JTQLQIEISA-N 0 0 231.336 2.166 10 0 BEAERN CCOC(=O)C(=O)c1cc(F)ccc1Cl ZINC000258519652 384605232 /nfs/dbraw/zinc/60/52/32/384605232.db2.gz TVOJDNVQSORCRE-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000103357311 384609119 /nfs/dbraw/zinc/60/91/19/384609119.db2.gz WYWRQPSWOQEQDA-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN CC(C)(C)NC(=O)CNc1ccnc(Cl)c1 ZINC000223591790 384616252 /nfs/dbraw/zinc/61/62/52/384616252.db2.gz VOEIAJWRBJCRNM-UHFFFAOYSA-N 0 0 241.722 2.062 10 0 BEAERN O=C1CCCC(=O)C1Cc1ccccc1 ZINC000100101423 384617136 /nfs/dbraw/zinc/61/71/36/384617136.db2.gz MVOXCTRDLYPXRG-UHFFFAOYSA-N 0 0 202.253 2.167 10 0 BEAERN CCCC(=O)N(C)CCc1ncc(C)s1 ZINC000124141938 384619702 /nfs/dbraw/zinc/61/97/02/384619702.db2.gz FRKOYOOVVBQNSE-UHFFFAOYSA-N 0 0 226.345 2.253 10 0 BEAERN CCCn1nccc1NC(=O)c1cscn1 ZINC000102988513 384594203 /nfs/dbraw/zinc/59/42/03/384594203.db2.gz LLYWQKMQFYVBKT-UHFFFAOYSA-N 0 0 236.300 2.002 10 0 BEAERN Cc1occc1CN(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000150791446 384595623 /nfs/dbraw/zinc/59/56/23/384595623.db2.gz VPLAVQMYGHQZFR-SKDRFNHKSA-N 0 0 237.299 2.114 10 0 BEAERN COc1cc(C=O)c(Cl)c(OC)c1 ZINC000098179088 384598742 /nfs/dbraw/zinc/59/87/42/384598742.db2.gz JPJIOMGWCSACCJ-UHFFFAOYSA-N 0 0 200.621 2.170 10 0 BEAERN Cc1nc(C2N=NC(=S)S2)cs1 ZINC000145294740 384667954 /nfs/dbraw/zinc/66/79/54/384667954.db2.gz RONHOOUFGBVKGL-UHFFFAOYSA-N 0 0 215.328 2.259 10 0 BEAERN CCOc1c(C=O)cc(CC)cc1OC ZINC000575696439 384671440 /nfs/dbraw/zinc/67/14/40/384671440.db2.gz OSDPUYYOILLGOK-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN Cc1c(F)ccc(Br)c1CO ZINC000575689475 384634609 /nfs/dbraw/zinc/63/46/09/384634609.db2.gz MTHKXIKFEGFQGK-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN COc1cc(O)c(C(C)=O)c(Br)c1 ZINC000575690559 384643154 /nfs/dbraw/zinc/64/31/54/384643154.db2.gz WWXJPBKRBHEUDU-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CC(C)C(=O)Nc1cccc(N(C)C)c1 ZINC000082032483 384644497 /nfs/dbraw/zinc/64/44/97/384644497.db2.gz IQVCOAFZUSBNMZ-UHFFFAOYSA-N 0 0 206.289 2.347 10 0 BEAERN Cc1ccc2c3c1nc(C=O)n3CCC2 ZINC000082383308 384675241 /nfs/dbraw/zinc/67/52/41/384675241.db2.gz UVOWCFXICUBXJX-UHFFFAOYSA-N 0 0 200.241 2.103 10 0 BEAERN c1ccc2c(c1)CC[C@H]1N=C3SCCN3[C@@H]21 ZINC000028768367 384647586 /nfs/dbraw/zinc/64/75/86/384647586.db2.gz VCUHMAHSHXOKPT-NEPJUHHUSA-N 0 0 230.336 2.461 10 0 BEAERN Cc1c(Br)cc(O)cc1C=O ZINC000575692359 384648881 /nfs/dbraw/zinc/64/88/81/384648881.db2.gz HHXBCCHSJQZNHV-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN CC(C)C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000082255497 384653556 /nfs/dbraw/zinc/65/35/56/384653556.db2.gz FUSQIGOUIUCEFI-LBPRGKRZSA-N 0 0 232.327 2.038 10 0 BEAERN CC(C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000082275838 384656850 /nfs/dbraw/zinc/65/68/50/384656850.db2.gz HBFJUIUSEXBLSU-NSHDSACASA-N 0 0 221.304 2.119 10 0 BEAERN O=C1OCC(Br)=C1c1ccccc1 ZINC000022008534 384723147 /nfs/dbraw/zinc/72/31/47/384723147.db2.gz KVWOPBVARGZMOS-UHFFFAOYSA-N 0 0 239.068 2.349 10 0 BEAERN c1ccc(NNC2CCC3(CC2)OCCO3)cc1 ZINC000022007641 384723609 /nfs/dbraw/zinc/72/36/09/384723609.db2.gz OGBMLIUZWYUEJU-UHFFFAOYSA-N 0 0 248.326 2.289 10 0 BEAERN COC[C@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000125025803 384689741 /nfs/dbraw/zinc/68/97/41/384689741.db2.gz FLTUANGAYMEDCW-JQWIXIFHSA-N 0 0 241.356 2.156 10 0 BEAERN O=C(c1cc(F)c(F)c(F)c1F)N1CCCO1 ZINC000125356609 384710048 /nfs/dbraw/zinc/71/00/48/384710048.db2.gz KGSFLROUJHLNTG-UHFFFAOYSA-N 0 0 249.163 2.021 10 0 BEAERN Cc1nnc(Sc2cc(F)ccc2N)o1 ZINC000052122474 384716643 /nfs/dbraw/zinc/71/66/43/384716643.db2.gz VEWSBBOQPHAAHU-UHFFFAOYSA-N 0 0 225.248 2.251 10 0 BEAERN Cc1ccc(C)c(CC(=O)N2CCCO2)c1 ZINC000125442100 384717659 /nfs/dbraw/zinc/71/76/59/384717659.db2.gz CVNLJZUISMEYMI-UHFFFAOYSA-N 0 0 219.284 2.010 10 0 BEAERN O=C(c1ccc(OC(F)F)cc1)N1CCCO1 ZINC000125429627 384718072 /nfs/dbraw/zinc/71/80/72/384718072.db2.gz DHZZRVRHALRZDE-UHFFFAOYSA-N 0 0 243.209 2.066 10 0 BEAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCCO1 ZINC000125444456 384720332 /nfs/dbraw/zinc/72/03/32/384720332.db2.gz TVRXDWQRDORBTL-UHFFFAOYSA-N 0 0 245.200 2.483 10 0 BEAERN CCO[C@H]1C[C@@H](c2ccccc2)C(=O)O1 ZINC000143254253 384721210 /nfs/dbraw/zinc/72/12/10/384721210.db2.gz UWNOCPOSLHHZDE-WDEREUQCSA-N 0 0 206.241 2.080 10 0 BEAERN CO[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000083502301 384776489 /nfs/dbraw/zinc/77/64/89/384776489.db2.gz BTWZFGGEWSOVHW-IUCAKERBSA-N 0 0 215.293 2.079 10 0 BEAERN CC(=O)N(C)[C@H](C(=S)NC(C)(C)C)C(C)C ZINC000022130325 384737253 /nfs/dbraw/zinc/73/72/53/384737253.db2.gz NKTFARLWKIMRQP-JTQLQIEISA-N 0 0 244.404 2.205 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000648156343 384748207 /nfs/dbraw/zinc/74/82/07/384748207.db2.gz AVEMFEWMQDSOLE-FDYHWXHSSA-N 0 0 239.359 2.088 10 0 BEAERN COC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000103085179 384748541 /nfs/dbraw/zinc/74/85/41/384748541.db2.gz SZGZFEBUHDNNMF-GZMMTYOYSA-N 0 0 248.282 2.003 10 0 BEAERN Cc1nc(Cl)cc(N2CCCSCC2)n1 ZINC000052836507 384749306 /nfs/dbraw/zinc/74/93/06/384749306.db2.gz XPNPUXGHOBBKGQ-UHFFFAOYSA-N 0 0 243.763 2.382 10 0 BEAERN CCc1ccc(F)c(C(N)=O)c1SC ZINC000575701556 384750291 /nfs/dbraw/zinc/75/02/91/384750291.db2.gz DJLOFUPCVUSBNX-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN CCO[C@@H]1OC(=O)[C@H]2[C@H](CC[C@@H]2C)[C@@H]1C ZINC000144222960 384753804 /nfs/dbraw/zinc/75/38/04/384753804.db2.gz SQKOYPMIMBRHSW-DSPMHBFJSA-N 0 0 212.289 2.204 10 0 BEAERN COC[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000103355764 384761840 /nfs/dbraw/zinc/76/18/40/384761840.db2.gz ICUFEEWFCFWXBD-MNOVXSKESA-N 0 0 233.311 2.247 10 0 BEAERN CC(C)OC(=O)CC[C@@H]1CCCCC1=O ZINC000163816532 384763744 /nfs/dbraw/zinc/76/37/44/384763744.db2.gz QEXCMQDUNXAYFP-JTQLQIEISA-N 0 0 212.289 2.478 10 0 BEAERN CCOc1ccccc1OC(=O)[C@H](C)COC ZINC000103357916 384764339 /nfs/dbraw/zinc/76/43/39/384764339.db2.gz QNBWXYBNKYSSQI-SNVBAGLBSA-N 0 0 238.283 2.273 10 0 BEAERN COC[C@H](C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000103364304 384765071 /nfs/dbraw/zinc/76/50/71/384765071.db2.gz RFLRTJSMQXOGAE-LBPRGKRZSA-N 0 0 247.338 2.460 10 0 BEAERN COC[C@H](C)C(=O)Oc1cccc(C)c1C ZINC000103358681 384765480 /nfs/dbraw/zinc/76/54/80/384765480.db2.gz YKXNEXQSLPNQDF-JTQLQIEISA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000103372774 384765745 /nfs/dbraw/zinc/76/57/45/384765745.db2.gz NXBMNOIVVPMOBD-VXGBXAGGSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cnc2ccccc2c1 ZINC000103363524 384765754 /nfs/dbraw/zinc/76/57/54/384765754.db2.gz WAUKNJNJVNPASW-SNVBAGLBSA-N 0 0 244.294 2.456 10 0 BEAERN CCOc1cccc(NC(=O)[C@@H](C)COC)c1 ZINC000103383181 384766912 /nfs/dbraw/zinc/76/69/12/384766912.db2.gz XAQLALASNJRCOZ-JTQLQIEISA-N 0 0 237.299 2.306 10 0 BEAERN CC(C)N(C)c1c(N)ccc(F)c1F ZINC000053162892 384766828 /nfs/dbraw/zinc/76/68/28/384766828.db2.gz KSGAYXYBBCJRMS-UHFFFAOYSA-N 0 0 200.232 2.392 10 0 BEAERN COC[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000103388177 384769051 /nfs/dbraw/zinc/76/90/51/384769051.db2.gz QFECPFAYDJSZHX-GXTWGEPZSA-N 0 0 247.338 2.285 10 0 BEAERN COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117995962 384770363 /nfs/dbraw/zinc/77/03/63/384770363.db2.gz VCIJAKKAYLOZEO-VIFPVBQESA-N 0 0 206.241 2.116 10 0 BEAERN CC(C)(C)[C@@H](O)CSC1CCOCC1 ZINC000308596481 384832320 /nfs/dbraw/zinc/83/23/20/384832320.db2.gz SBWKOTFTXSXRRC-JTQLQIEISA-N 0 0 218.362 2.306 10 0 BEAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccn[nH]1 ZINC000103055081 384795619 /nfs/dbraw/zinc/79/56/19/384795619.db2.gz FMORVJHCRBCBKV-QWRGUYRKSA-N 0 0 235.331 2.354 10 0 BEAERN COc1cc(CO)cc(SC)c1F ZINC000575707509 384803819 /nfs/dbraw/zinc/80/38/19/384803819.db2.gz CZJDIBMCQHUZNA-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN Cc1cnn([C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000105858812 384805508 /nfs/dbraw/zinc/80/55/08/384805508.db2.gz HGKIGAPRLMLNAG-LBPRGKRZSA-N 0 0 249.358 2.401 10 0 BEAERN COc1cc(F)cc(SC)c1C=O ZINC000575707714 384807793 /nfs/dbraw/zinc/80/77/93/384807793.db2.gz GQLSJPNWGYXTSA-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN Cc1ccc2c(c1)OCCN2Cc1nccn1C ZINC000126568587 384811899 /nfs/dbraw/zinc/81/18/99/384811899.db2.gz CAHWXHSXNBXOFS-UHFFFAOYSA-N 0 0 243.310 2.128 10 0 BEAERN Cc1nccn1-c1cnc(Br)s1 ZINC000072193214 384812791 /nfs/dbraw/zinc/81/27/91/384812791.db2.gz ICVLEVWFCNCDHT-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN C[C@H]1C[C@H](O)CN(c2ncc(Cl)cc2F)C1 ZINC000335240265 384871853 /nfs/dbraw/zinc/87/18/53/384871853.db2.gz XLAOYZAINUKVQU-CBAPKCEASA-N 0 0 244.697 2.081 10 0 BEAERN Nc1ccc(C(=O)N2CCC3(CC3)CC2)cc1 ZINC000367933023 384875046 /nfs/dbraw/zinc/87/50/46/384875046.db2.gz VTOVKVMVJUFDDE-UHFFFAOYSA-N 0 0 230.311 2.285 10 0 BEAERN CC(=O)c1cc(OC(F)F)cc(C)c1N ZINC000575716446 384875807 /nfs/dbraw/zinc/87/58/07/384875807.db2.gz FDCATILWFOJBIU-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN COc1cc(C(F)(F)F)cc(C(C)=O)c1N ZINC000575716741 384876618 /nfs/dbraw/zinc/87/66/18/384876618.db2.gz LNVPELWHZBGMLF-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CCn1ccnc1CN(C#N)c1ccccc1 ZINC000084648801 384889948 /nfs/dbraw/zinc/88/99/48/384889948.db2.gz HKFBMANOIKGLMW-UHFFFAOYSA-N 0 0 226.283 2.391 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)C(C)C)C2)c1 ZINC000105859008 384884278 /nfs/dbraw/zinc/88/42/78/384884278.db2.gz PJTPODSLEJCODO-GFCCVEGCSA-N 0 0 235.331 2.011 10 0 BEAERN F[C@H]1CC[C@H](Nc2ncncc2Cl)C1 ZINC000306353826 384885437 /nfs/dbraw/zinc/88/54/37/384885437.db2.gz QJVCZQKSXBIZDL-BQBZGAKWSA-N 0 0 215.659 2.433 10 0 BEAERN COc1c(N)ccc(OC(F)F)c1C(C)=O ZINC000575717937 384886101 /nfs/dbraw/zinc/88/61/01/384886101.db2.gz WEBNOTXCALAIOQ-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C1CCCCCC1 ZINC000336233834 384840110 /nfs/dbraw/zinc/84/01/10/384840110.db2.gz PXNHNBCKMZKIKP-WCQYABFASA-N 0 0 239.359 2.329 10 0 BEAERN CO[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000054859855 384857739 /nfs/dbraw/zinc/85/77/39/384857739.db2.gz HMVNQZASMGYEPD-GWCFXTLKSA-N 0 0 233.311 2.215 10 0 BEAERN C[C@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)C1CC1 ZINC000175308955 384889382 /nfs/dbraw/zinc/88/93/82/384889382.db2.gz WYFBYBTWUUNRDB-GWCFXTLKSA-N 0 0 247.342 2.130 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc2ccccc2n1C ZINC000150079072 384960643 /nfs/dbraw/zinc/96/06/43/384960643.db2.gz BPXWHPFLSYSHSJ-NXEZZACHSA-N 0 0 231.299 2.163 10 0 BEAERN C[C@@H](O)C(C)(C)Nc1ccc(C(F)(F)F)nn1 ZINC000127834235 384952923 /nfs/dbraw/zinc/95/29/23/384952923.db2.gz FQELNMFOWFKITP-ZCFIWIBFSA-N 0 0 249.236 2.067 10 0 BEAERN C[C@H](Nc1ncnc2n[nH]cc21)C(C)(C)C ZINC000301545264 384892060 /nfs/dbraw/zinc/89/20/60/384892060.db2.gz DVTKCXJELDYLKU-ZETCQYMHSA-N 0 0 219.292 2.199 10 0 BEAERN Cc1nnc(N[C@H](C)COCC(C)C)s1 ZINC000301569662 384893493 /nfs/dbraw/zinc/89/34/93/384893493.db2.gz QSHYCOOJSSHQBT-MRVPVSSYSA-N 0 0 229.349 2.320 10 0 BEAERN Nc1cc(O)c(Cl)c(Br)c1 ZINC000575719774 384893955 /nfs/dbraw/zinc/89/39/55/384893955.db2.gz JNJRPQQYOKWHSH-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CCOc1cc(Br)c(O)cc1N ZINC000575722403 384899782 /nfs/dbraw/zinc/89/97/82/384899782.db2.gz JZOJRBWKMDJXMM-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN COC(=O)c1cc(C)c(N)cc1C(F)(F)F ZINC000217497407 384900179 /nfs/dbraw/zinc/90/01/79/384900179.db2.gz ZARRHQDAHBGTGV-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCc1cc(N)c(Br)cc1N ZINC000575723392 384900912 /nfs/dbraw/zinc/90/09/12/384900912.db2.gz XACWGGQNCLWQGS-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CCCc1nnc(N[C@H]2CCCC[C@@H]2O)s1 ZINC000301673478 384908312 /nfs/dbraw/zinc/90/83/12/384908312.db2.gz PECBQQKDTHUWGA-IUCAKERBSA-N 0 0 241.360 2.206 10 0 BEAERN CCOC(=O)Cc1c(N)c(C)ccc1CC ZINC000575724269 384908983 /nfs/dbraw/zinc/90/89/83/384908983.db2.gz CPAPIQVHZWWWPY-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN Cc1ccncc1NCC1=CCCOC1 ZINC000119020867 384958986 /nfs/dbraw/zinc/95/89/86/384958986.db2.gz KLSQPQAYWKEFLF-UHFFFAOYSA-N 0 0 204.273 2.149 10 0 BEAERN C/C=C\C[S@@](=O)Cc1nccn1C(C)C ZINC000255662783 384917238 /nfs/dbraw/zinc/91/72/38/384917238.db2.gz UJTFJCXZGJFSST-FOSCPCJNSA-N 0 0 226.345 2.289 10 0 BEAERN c1ccc(N2CC[C@@H](Nc3cnccn3)C2)cc1 ZINC000106473714 384917535 /nfs/dbraw/zinc/91/75/35/384917535.db2.gz NETISVGREAYDRO-GFCCVEGCSA-N 0 0 240.310 2.167 10 0 BEAERN C/C=C/C=C/C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127579996 384919048 /nfs/dbraw/zinc/91/90/48/384919048.db2.gz HNTMAGRBFWQDRO-FCNQHQNFSA-N 0 0 249.354 2.272 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2nccc(C)n2)C1 ZINC000301781061 384920535 /nfs/dbraw/zinc/92/05/35/384920535.db2.gz NMIAAFCOXHRACZ-WDEREUQCSA-N 0 0 221.304 2.155 10 0 BEAERN COC(=O)c1nc(N(C)C2CCC2)sc1C ZINC000128051567 384925469 /nfs/dbraw/zinc/92/54/69/384925469.db2.gz YDPYGRAOZMZUEI-UHFFFAOYSA-N 0 0 240.328 2.227 10 0 BEAERN COC(=O)Cc1c(N)ccc(Cl)c1Cl ZINC000575730300 384926695 /nfs/dbraw/zinc/92/66/95/384926695.db2.gz PXIWKCWXGQEORD-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN Cc1nsc(N[C@@H]2CCCCC[C@H]2CO)n1 ZINC000301804007 384929709 /nfs/dbraw/zinc/92/97/09/384929709.db2.gz XOAKWYQTZFCKLV-VHSXEESVSA-N 0 0 241.360 2.200 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nnc(C2CC2)s1 ZINC000301916543 384945494 /nfs/dbraw/zinc/94/54/94/384945494.db2.gz VUZVRGWZXXMKLH-HTRCEHHLSA-N 0 0 225.317 2.005 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nnc(C2CC2)s1 ZINC000301916544 384945757 /nfs/dbraw/zinc/94/57/57/384945757.db2.gz VUZVRGWZXXMKLH-POYBYMJQSA-N 0 0 225.317 2.005 10 0 BEAERN COCC[C@H](C)NC(=O)NCCC1=CCCC1 ZINC000119691311 384948531 /nfs/dbraw/zinc/94/85/31/384948531.db2.gz KZRCBQVNDQZPKJ-NSHDSACASA-N 0 0 240.347 2.211 10 0 BEAERN COC(=O)c1sc(C2CC2)nc1Cl ZINC000085789037 384967874 /nfs/dbraw/zinc/96/78/74/384967874.db2.gz LBELSOFZUXTBKJ-UHFFFAOYSA-N 0 0 217.677 2.461 10 0 BEAERN CC(C)(C)NC(=O)COc1cccc(F)c1F ZINC000057935379 384973482 /nfs/dbraw/zinc/97/34/82/384973482.db2.gz XKRPBRSZNYWOCE-UHFFFAOYSA-N 0 0 243.253 2.258 10 0 BEAERN CCC1(CNc2nccnc2N(C)C)CC1 ZINC000302193931 384977817 /nfs/dbraw/zinc/97/78/17/384977817.db2.gz NGTZIAFWYCYSQQ-UHFFFAOYSA-N 0 0 220.320 2.145 10 0 BEAERN Cc1cc(C)cc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c1 ZINC000296072935 384998003 /nfs/dbraw/zinc/99/80/03/384998003.db2.gz ODMQVXXJKPYFQA-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nc(C)nc(OC)c1C ZINC000302559500 384998934 /nfs/dbraw/zinc/99/89/34/384998934.db2.gz MLPWBZXKAYXVKK-UWVGGRQHSA-N 0 0 221.304 2.312 10 0 BEAERN Cn1c(CNCC(F)(F)F)nc2ccccc21 ZINC000107796371 385000985 /nfs/dbraw/zinc/00/09/85/385000985.db2.gz YPNBCCQRIRIHJN-UHFFFAOYSA-N 0 0 243.232 2.225 10 0 BEAERN C[C@@H](C[C@@H]1CCCO1)Nc1ncncc1Cl ZINC000302627822 385001624 /nfs/dbraw/zinc/00/16/24/385001624.db2.gz INLMYVMKAXMIJW-IUCAKERBSA-N 0 0 241.722 2.500 10 0 BEAERN CC(C)c1nsc(N[C@@H](C)[C@H](C)CO)n1 ZINC000129611328 385010367 /nfs/dbraw/zinc/01/03/67/385010367.db2.gz VTSZMMFYHVVVIX-SFYZADRCSA-N 0 0 229.349 2.090 10 0 BEAERN CCCc1noc(CNC2(C(C)C)CC2)n1 ZINC000339508406 385011124 /nfs/dbraw/zinc/01/11/24/385011124.db2.gz HRCBKKPRYBIBNG-UHFFFAOYSA-N 0 0 223.320 2.300 10 0 BEAERN CCC[C@@H](OC)c1noc(C[C@@H](O)C(C)C)n1 ZINC000156899845 385014101 /nfs/dbraw/zinc/01/41/01/385014101.db2.gz SWVVHNHDBHWBGX-NXEZZACHSA-N 0 0 242.319 2.117 10 0 BEAERN Fc1ccc(CCNc2ncns2)cc1F ZINC000302773067 385018633 /nfs/dbraw/zinc/01/86/33/385018633.db2.gz NOTCUHRTJOICKD-UHFFFAOYSA-N 0 0 241.266 2.471 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000128277422 385019960 /nfs/dbraw/zinc/01/99/60/385019960.db2.gz SBVZORIVNQJZLG-AUYFGZFJSA-N 0 0 236.702 2.273 10 0 BEAERN Cn1nccc1CNc1ncnc2ccsc21 ZINC000030587363 385020770 /nfs/dbraw/zinc/02/07/70/385020770.db2.gz PMQCGNYNGICWAE-UHFFFAOYSA-N 0 0 245.311 2.037 10 0 BEAERN Cn1cc([C@@H]2CC[N@H+](Cc3ccsc3)C2)cn1 ZINC000128537553 385048049 /nfs/dbraw/zinc/04/80/49/385048049.db2.gz OGNSOGPFUQXHNL-GFCCVEGCSA-N 0 0 247.367 2.471 10 0 BEAERN CCOc1cccc2c1c(C=O)cn2C ZINC000059731227 385054987 /nfs/dbraw/zinc/05/49/87/385054987.db2.gz GCBGKLOBQXXIIB-UHFFFAOYSA-N 0 0 203.241 2.390 10 0 BEAERN Cc1nc(CCCC(=O)N[C@@H]2C[C@@H]2C)cs1 ZINC000176158004 385026825 /nfs/dbraw/zinc/02/68/25/385026825.db2.gz CWUJMIIOKSMVEU-GZMMTYOYSA-N 0 0 238.356 2.299 10 0 BEAERN c1nc(CNc2cnc3c(n2)CCCC3)cs1 ZINC000377306524 385034370 /nfs/dbraw/zinc/03/43/70/385034370.db2.gz UQLXFOKLQTUBDP-UHFFFAOYSA-N 0 0 246.339 2.424 10 0 BEAERN Cc1cc(C)c(CSC[C@H](O)CO)c(C)c1 ZINC000086660825 385037943 /nfs/dbraw/zinc/03/79/43/385037943.db2.gz ZKKIJDQBDPJWEU-GFCCVEGCSA-N 0 0 240.368 2.198 10 0 BEAERN Cn1nccc1CCC(=O)N[C@H]1CCCC1(C)C ZINC000128526040 385044894 /nfs/dbraw/zinc/04/48/94/385044894.db2.gz NFTVBVJFSBEAGC-LBPRGKRZSA-N 0 0 249.358 2.048 10 0 BEAERN Cc1ccn(C)c1C(=O)N[C@@H](C)C(C)C ZINC000188962763 385108601 /nfs/dbraw/zinc/10/86/01/385108601.db2.gz XRANVBOPGKKQRO-JTQLQIEISA-N 0 0 208.305 2.108 10 0 BEAERN O=C(C1=CCCCC1)N1C[C@@H]2CCC[C@@H]21 ZINC000334156779 385114135 /nfs/dbraw/zinc/11/41/35/385114135.db2.gz ZMKHZSAEWZQUOK-RYUDHWBXSA-N 0 0 205.301 2.498 10 0 BEAERN CC[C@](C)(O)CN1CCc2c1cccc2F ZINC000189204144 385133552 /nfs/dbraw/zinc/13/35/52/385133552.db2.gz FARBNNTWWJGVEV-ZDUSSCGKSA-N 0 0 223.291 2.349 10 0 BEAERN CCc1c[nH]c(SCC(=O)C2CC2)n1 ZINC000129278878 385133496 /nfs/dbraw/zinc/13/34/96/385133496.db2.gz UHNKNWLBKSWFCY-UHFFFAOYSA-N 0 0 210.302 2.043 10 0 BEAERN CCC[C@@H](N[C@H](C)COC)C(=O)OC(C)(C)C ZINC000157487046 385193313 /nfs/dbraw/zinc/19/33/13/385193313.db2.gz HDMQWZMVZAZTSR-GHMZBOCLSA-N 0 0 245.363 2.121 10 0 BEAERN CCOc1ccc(C[C@H](C)O)cc1OCC ZINC000058002201 385196967 /nfs/dbraw/zinc/19/69/67/385196967.db2.gz INEUWVHUWFSHJP-JTQLQIEISA-N 0 0 224.300 2.407 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000189398341 385155692 /nfs/dbraw/zinc/15/56/92/385155692.db2.gz HCLUPPBABJDEQB-CABZTGNLSA-N 0 0 235.283 2.146 10 0 BEAERN CC(C)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000062130591 385159887 /nfs/dbraw/zinc/15/98/87/385159887.db2.gz CWRZGGUYQYRVAI-UHFFFAOYSA-N 0 0 249.358 2.168 10 0 BEAERN COC[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000109493987 385171608 /nfs/dbraw/zinc/17/16/08/385171608.db2.gz XPJIPSFBXMAYAH-SNVBAGLBSA-N 0 0 232.283 2.410 10 0 BEAERN COCc1nc(CCCc2ccccc2)no1 ZINC000109574375 385177929 /nfs/dbraw/zinc/17/79/29/385177929.db2.gz CYCTXVYEOBGRFB-UHFFFAOYSA-N 0 0 232.283 2.391 10 0 BEAERN CCO[C@H](C)c1nc(-c2ccc(OC)nc2)no1 ZINC000109591272 385179325 /nfs/dbraw/zinc/17/93/25/385179325.db2.gz ZXZHNNIJCRBDRE-MRVPVSSYSA-N 0 0 249.270 2.238 10 0 BEAERN O=C1CCOc2ccc(Br)cc2N1 ZINC000062533527 385207231 /nfs/dbraw/zinc/20/72/31/385207231.db2.gz KLZJMDMPVXMRJW-UHFFFAOYSA-N 0 0 242.072 2.170 10 0 BEAERN CCc1ccccc1C(=O)NC[C@H]1CCC[C@H]1O ZINC000152842137 385216529 /nfs/dbraw/zinc/21/65/29/385216529.db2.gz JMGUCIMFVHIXLB-TZMCWYRMSA-N 0 0 247.338 2.140 10 0 BEAERN O=C([O-])[C@@H]1CCCCC[C@H]1[NH+]1CCCC1 ZINC000062749992 385230421 /nfs/dbraw/zinc/23/04/21/385230421.db2.gz NRPZXXWESCLWHS-GHMZBOCLSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1cccc(CNc2nnc(N)s2)c1 ZINC000033413732 385230658 /nfs/dbraw/zinc/23/06/58/385230658.db2.gz SLUITKBCWDEXEN-UHFFFAOYSA-N 0 0 220.301 2.041 10 0 BEAERN CCC[C@@H](C)CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000130294463 385236973 /nfs/dbraw/zinc/23/69/73/385236973.db2.gz RXVOBCLMKPZDKL-UTUOFQBUSA-N 0 0 227.348 2.449 10 0 BEAERN Cc1cccc([C@@H](C)SC[C@H](O)CO)c1 ZINC000177427947 385239903 /nfs/dbraw/zinc/23/99/03/385239903.db2.gz SFKFALLPMWABEG-ZYHUDNBSSA-N 0 0 226.341 2.142 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccs1 ZINC000190517586 385244996 /nfs/dbraw/zinc/24/49/96/385244996.db2.gz VLKFYGVFBGJHAI-ONGXEEELSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1cnc2ccccc2c1 ZINC000130663722 385274827 /nfs/dbraw/zinc/27/48/27/385274827.db2.gz RCIPSDPGGYIJJQ-YGRLFVJLSA-N 0 0 240.306 2.302 10 0 BEAERN C[C@@H]1Nc2cc(Br)ccc2NC1=O ZINC000034639076 385287574 /nfs/dbraw/zinc/28/75/74/385287574.db2.gz KQOZIRPRQSCXKZ-YFKPBYRVSA-N 0 0 241.088 2.202 10 0 BEAERN Nc1ccc(N2C[C@H]3[C@H](CCC3(F)F)C2)nc1 ZINC000409431037 385329977 /nfs/dbraw/zinc/32/99/77/385329977.db2.gz RLWVTZQHEXJTRE-SCZZXKLOSA-N 0 0 239.269 2.145 10 0 BEAERN C[NH+](C)Cc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000168038895 385346208 /nfs/dbraw/zinc/34/62/08/385346208.db2.gz IXEJANNKALFNBE-UHFFFAOYSA-N 0 0 247.216 2.465 10 0 BEAERN CC(C)c1noc(NCCC2=CCOCC2)n1 ZINC000158149824 385353290 /nfs/dbraw/zinc/35/32/90/385353290.db2.gz HCTZNCZNPOUUOW-UHFFFAOYSA-N 0 0 237.303 2.342 10 0 BEAERN COCCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000158211154 385363903 /nfs/dbraw/zinc/36/39/03/385363903.db2.gz JYQUMLJDOBLRBZ-STQMWFEESA-N 0 0 239.359 2.356 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nc(C)nc(C)c1F ZINC000309093583 385414302 /nfs/dbraw/zinc/41/43/02/385414302.db2.gz DASPYKQKXYPVHW-IUCAKERBSA-N 0 0 209.268 2.443 10 0 BEAERN c1nnsc1-c1nc(Cc2ccccc2)no1 ZINC000109490543 385422788 /nfs/dbraw/zinc/42/27/88/385422788.db2.gz JKSRFYCXUFAUPU-UHFFFAOYSA-N 0 0 244.279 2.179 10 0 BEAERN CC[C@H](O)Cc1nc(Cc2ccc(C)cc2)no1 ZINC000109487118 385423300 /nfs/dbraw/zinc/42/33/00/385423300.db2.gz JSQQQCHHXSLTLJ-LBPRGKRZSA-N 0 0 246.310 2.282 10 0 BEAERN Cc1csc([C@H]2CN(CC3CC3)CCO2)n1 ZINC000155939379 385423634 /nfs/dbraw/zinc/42/36/34/385423634.db2.gz LQJDXVNWUMQKIN-LLVKDONJSA-N 0 0 238.356 2.235 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1cccc(F)c1F ZINC000295106575 385441669 /nfs/dbraw/zinc/44/16/69/385441669.db2.gz VPZNBLORDFUHOY-JOYOIKCWSA-N 0 0 241.281 2.310 10 0 BEAERN C[C@@H]1CC(CNc2cnccn2)C[C@@H](C)O1 ZINC000281783665 385447051 /nfs/dbraw/zinc/44/70/51/385447051.db2.gz HCRQCBVJCNUCKC-NXEZZACHSA-N 0 0 221.304 2.092 10 0 BEAERN COC[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000170805876 385447556 /nfs/dbraw/zinc/44/75/56/385447556.db2.gz DWCNOZFUOYHPSM-UHTWSYAYSA-N 0 0 248.326 2.082 10 0 BEAERN CCOc1ccccc1CNC(=O)N[C@H]1C[C@H]1C ZINC000170811873 385448080 /nfs/dbraw/zinc/44/80/80/385448080.db2.gz IEJXXCMCZPSITK-PWSUYJOCSA-N 0 0 248.326 2.293 10 0 BEAERN C[C@@H]1CC(CNc2ncccn2)C[C@@H](C)O1 ZINC000281891672 385456153 /nfs/dbraw/zinc/45/61/53/385456153.db2.gz OYQRPVCFLMHZSJ-NXEZZACHSA-N 0 0 221.304 2.092 10 0 BEAERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000171066010 385466397 /nfs/dbraw/zinc/46/63/97/385466397.db2.gz JBZLDURJGSZPEO-JOYOIKCWSA-N 0 0 219.284 2.224 10 0 BEAERN CC(C)n1cc(CN2CCS[C@@H](C)C2)cn1 ZINC000179432245 385467882 /nfs/dbraw/zinc/46/78/82/385467882.db2.gz WYJNDIHOARJDHR-NSHDSACASA-N 0 0 239.388 2.401 10 0 BEAERN COC[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000171430714 385485417 /nfs/dbraw/zinc/48/54/17/385485417.db2.gz IVWNKUQETLRFBW-NEPJUHHUSA-N 0 0 235.327 2.489 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cccc2ncccc21 ZINC000171448716 385486555 /nfs/dbraw/zinc/48/65/55/385486555.db2.gz WLTWDOSOYKPDHE-SNVBAGLBSA-N 0 0 245.278 2.423 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000171455266 385486752 /nfs/dbraw/zinc/48/67/52/385486752.db2.gz VDCXHNUNOJOLGQ-CHWSQXEVSA-N 0 0 249.354 2.325 10 0 BEAERN CC(C)(C)[C@@H](O)CSc1ncco1 ZINC000308126827 385459231 /nfs/dbraw/zinc/45/92/31/385459231.db2.gz BMKBAQXSBUHXGA-ZETCQYMHSA-N 0 0 201.291 2.174 10 0 BEAERN CCO[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000171045614 385464263 /nfs/dbraw/zinc/46/42/63/385464263.db2.gz ARNQIXGYBUYCNR-DRZSPHRISA-N 0 0 233.311 2.289 10 0 BEAERN CCCc1cc(NC(=O)c2c(C)noc2C)n[nH]1 ZINC000109913125 385491335 /nfs/dbraw/zinc/49/13/35/385491335.db2.gz WJVKCANCESRDIN-UHFFFAOYSA-N 0 0 248.286 2.219 10 0 BEAERN Cc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2O)n1 ZINC000052837547 385498819 /nfs/dbraw/zinc/49/88/19/385498819.db2.gz KSDSPOGSXJTARS-BDAKNGLRSA-N 0 0 241.722 2.154 10 0 BEAERN CC[C@@H](C)CN(C)Cc1nnc(C2CC2)n1C ZINC000111253827 385499066 /nfs/dbraw/zinc/49/90/66/385499066.db2.gz ZVSYOXGVAMVMQS-SNVBAGLBSA-N 0 0 236.363 2.170 10 0 BEAERN COC(C)(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000171593326 385500286 /nfs/dbraw/zinc/50/02/86/385500286.db2.gz GTXFMFDAILOZTL-SECBINFHSA-N 0 0 225.288 2.190 10 0 BEAERN COC(=O)c1cccnc1CN1CCC(C)CC1 ZINC000302263813 385508954 /nfs/dbraw/zinc/50/89/54/385508954.db2.gz CCMQZMBCBQHMMU-UHFFFAOYSA-N 0 0 248.326 2.100 10 0 BEAERN COc1cc(Br)c(C=O)cc1F ZINC000257961588 385515088 /nfs/dbraw/zinc/51/50/88/385515088.db2.gz IHSUGQHFQQGVKZ-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN Nc1ccn2nc(-c3ccccc3F)nc2c1 ZINC000258070022 385530635 /nfs/dbraw/zinc/53/06/35/385530635.db2.gz VFNARCIMSOMHEZ-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN Cc1ccnc([C@](C)(O)C(F)(F)F)c1 ZINC000095642971 385544760 /nfs/dbraw/zinc/54/47/60/385544760.db2.gz DJWNALDGUDUGEA-QMMMGPOBSA-N 0 0 205.179 2.160 10 0 BEAERN CC[C@H](O)c1ccc(Br)cc1N ZINC000257977318 385522542 /nfs/dbraw/zinc/52/25/42/385522542.db2.gz JVYNTNKTUFBXBK-VIFPVBQESA-N 0 0 230.105 2.475 10 0 BEAERN CCCn1cc(C(=O)N[C@H](C)C(C)C)cn1 ZINC000180513655 385527614 /nfs/dbraw/zinc/52/76/14/385527614.db2.gz UOZAUHYRJAIVOX-SNVBAGLBSA-N 0 0 223.320 2.067 10 0 BEAERN CCCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107083982 385555704 /nfs/dbraw/zinc/55/57/04/385555704.db2.gz QQGNKVHEGDLURT-UHFFFAOYSA-N 0 0 245.282 2.267 10 0 BEAERN O=Cc1cn(Cc2cccc(Cl)c2)cn1 ZINC000213372440 385587865 /nfs/dbraw/zinc/58/78/65/385587865.db2.gz IZUNQTNKSSAWOE-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN Fc1cccc(F)c1C1N=NC(=S)N1 ZINC000036948369 385592349 /nfs/dbraw/zinc/59/23/49/385592349.db2.gz LFXRYNKZHIOENB-UHFFFAOYSA-N 0 0 213.212 2.039 10 0 BEAERN COC(=O)c1cc(Cl)cc(OC)c1F ZINC000259964234 385626977 /nfs/dbraw/zinc/62/69/77/385626977.db2.gz GPGYDLLPYWNCFM-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197701 385608664 /nfs/dbraw/zinc/60/86/64/385608664.db2.gz JLZYPWPULJMKOW-NXEZZACHSA-N 0 0 238.335 2.083 10 0 BEAERN COC(=O)Cc1c(F)cc(OC)cc1Cl ZINC000260005964 385643768 /nfs/dbraw/zinc/64/37/68/385643768.db2.gz MIIKVMVIKYCATG-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN COC(=O)CCCC(=O)c1ccccc1F ZINC000259833297 385665438 /nfs/dbraw/zinc/66/54/38/385665438.db2.gz XVLBXKXEZHGCLZ-UHFFFAOYSA-N 0 0 224.231 2.352 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(OC)c1OC ZINC000260018358 385648595 /nfs/dbraw/zinc/64/85/95/385648595.db2.gz JSABSQGUETUGFM-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN COC(=O)Cc1cc(C)cc(OC)c1Cl ZINC000260029301 385651670 /nfs/dbraw/zinc/65/16/70/385651670.db2.gz KGFBXERWMDAIGH-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN Cc1ccc([C@H](C)NCc2c[nH]cn2)o1 ZINC000054764368 385656162 /nfs/dbraw/zinc/65/61/62/385656162.db2.gz BGZHEKDNHRRAEO-VIFPVBQESA-N 0 0 205.261 2.162 10 0 BEAERN COC(=O)Cc1c(O)cc(C)cc1Cl ZINC000259865127 385678321 /nfs/dbraw/zinc/67/83/21/385678321.db2.gz AYPWGWYMTSOQNA-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN On1c2ccccc2nc1-c1ccccn1 ZINC000253579471 385683883 /nfs/dbraw/zinc/68/38/83/385683883.db2.gz ZRGAMPKCGXEVMV-UHFFFAOYSA-N 0 0 211.224 2.336 10 0 BEAERN COC(=O)Cc1cc(OC)c(Cl)cc1C ZINC000260168221 385718759 /nfs/dbraw/zinc/71/87/59/385718759.db2.gz VPPQEHCJGHAMQL-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN Cc1noc([C@H]2CCN(c3cccc(C)n3)C2)n1 ZINC000408456045 385691455 /nfs/dbraw/zinc/69/14/55/385691455.db2.gz FZUAAAWBJAZKBI-NSHDSACASA-N 0 0 244.298 2.075 10 0 BEAERN c1cn(Cc2ccncc2)c2ncccc12 ZINC000211806445 385693786 /nfs/dbraw/zinc/69/37/86/385693786.db2.gz QQULILUQVCLCEG-UHFFFAOYSA-N 0 0 209.252 2.480 10 0 BEAERN CCCn1c(C)cnc1C[C@H]1CCN(C(C)=O)C1 ZINC000257176718 385696572 /nfs/dbraw/zinc/69/65/72/385696572.db2.gz DALKSISEVYUOHF-CYBMUJFWSA-N 0 0 249.358 2.012 10 0 BEAERN O=C1C=Nc2cc(Br)ccc21 ZINC000211871606 385697313 /nfs/dbraw/zinc/69/73/13/385697313.db2.gz PPKYCHNHGKVZFQ-UHFFFAOYSA-N 0 0 210.030 2.348 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(O)c(Cl)c1 ZINC000182866122 385713647 /nfs/dbraw/zinc/71/36/47/385713647.db2.gz HKNTWBKIAJXYQG-ZETCQYMHSA-N 0 0 243.690 2.267 10 0 BEAERN Cc1nnc(N[C@@H](C)c2nnc(C)s2)s1 ZINC000273492136 385769936 /nfs/dbraw/zinc/76/99/36/385769936.db2.gz MRLNDHPCIQJNPP-BYPYZUCNSA-N 0 0 241.345 2.180 10 0 BEAERN CCOC(=O)c1cc(F)cc(OC)c1F ZINC000259866291 385787853 /nfs/dbraw/zinc/78/78/53/385787853.db2.gz AEHROFVXZVBZDR-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN Cc1cocc1[C@H](N)c1csc(C)n1 ZINC000306812367 385804990 /nfs/dbraw/zinc/80/49/90/385804990.db2.gz ZAOZMAXKSUCPTG-JTQLQIEISA-N 0 0 208.286 2.401 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(C)nc2ncnn21 ZINC000231663427 385812084 /nfs/dbraw/zinc/81/20/84/385812084.db2.gz MPRVVEILDIVAOO-UWVGGRQHSA-N 0 0 231.303 2.033 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)Cc1ccccc1O ZINC000231694864 385813829 /nfs/dbraw/zinc/81/38/29/385813829.db2.gz PTNCPRVFQGBQKB-ZYHUDNBSSA-N 0 0 233.311 2.240 10 0 BEAERN COC(=O)c1cc(OC)cc(Cl)c1C ZINC000260337133 385833179 /nfs/dbraw/zinc/83/31/79/385833179.db2.gz YIJXUDHWYLXEGS-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CC(C)(C)NC(=O)OCc1ncccc1F ZINC000215802559 385849827 /nfs/dbraw/zinc/84/98/27/385849827.db2.gz RRKMMIWDKHYMHA-UHFFFAOYSA-N 0 0 226.251 2.245 10 0 BEAERN COc1cc2c(Cl)n[nH]c(=O)c2cc1OC ZINC000504195173 533146526 /nfs/dbraw/zinc/14/65/26/533146526.db2.gz JUEDCROBTLNGOV-UHFFFAOYSA-N 0 0 240.646 2.006 10 0 BEAERN C[C@@H](NC(=O)NC1CCC1)C1CCCC1 ZINC000123640258 385898296 /nfs/dbraw/zinc/89/82/96/385898296.db2.gz KQYHFMOJXBLJSH-SECBINFHSA-N 0 0 210.321 2.417 10 0 BEAERN CCOC(=O)c1cc(F)c2c(c1)CCCN2 ZINC000260610686 385910706 /nfs/dbraw/zinc/91/07/06/385910706.db2.gz RHSFMLQUUIKQCG-UHFFFAOYSA-N 0 0 223.247 2.361 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000187964745 134474795 /nfs/dbraw/zinc/47/47/95/134474795.db2.gz NSWANSZQHREGTC-UTUOFQBUSA-N 0 0 227.348 2.210 10 0 BEAERN Cc1ccc(CN[C@H](C)c2nccnc2C)cn1 ZINC000219100152 385919451 /nfs/dbraw/zinc/91/94/51/385919451.db2.gz SSRSQIGEUIURCL-GFCCVEGCSA-N 0 0 242.326 2.339 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)cc(OC)n1 ZINC000260484028 385876364 /nfs/dbraw/zinc/87/63/64/385876364.db2.gz KPBARBITPFQCQU-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN Brc1ccc(NC2CSC2)nc1 ZINC000575550765 385983592 /nfs/dbraw/zinc/98/35/92/385983592.db2.gz SXGAFWNBHXAWTA-UHFFFAOYSA-N 0 0 245.145 2.371 10 0 BEAERN Cc1nn(C[C@H]2C[C@@H]2C)c(N)c1Br ZINC000575539652 385944664 /nfs/dbraw/zinc/94/46/64/385944664.db2.gz YYANMGAOLQNPDI-CAHLUQPWSA-N 0 0 244.136 2.192 10 0 BEAERN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)[C@@H]1C[C@H]1C ZINC000414095483 385960251 /nfs/dbraw/zinc/96/02/51/385960251.db2.gz PUBDVXLTIBKIAV-CHWFTXMASA-N 0 0 227.348 2.351 10 0 BEAERN COC(=O)/C=C/c1c[nH]c2cc(F)ccc12 ZINC000072105353 385968738 /nfs/dbraw/zinc/96/87/38/385968738.db2.gz CKXVPLTXKONPSQ-GORDUTHDSA-N 0 0 219.215 2.493 10 0 BEAERN COC(=O)c1c(Cl)ccc(C)c1O ZINC000261137696 386007283 /nfs/dbraw/zinc/00/72/83/386007283.db2.gz NNUVDZIAWVSVMQ-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(C)c1O ZINC000261234557 386014511 /nfs/dbraw/zinc/01/45/11/386014511.db2.gz VXGMAMZDMHZPQD-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN Cc1ccc([C@@H](C)NCc2nc(C)no2)o1 ZINC000037980951 386108581 /nfs/dbraw/zinc/10/85/81/386108581.db2.gz QPHDTYNCPKADJG-MRVPVSSYSA-N 0 0 221.260 2.130 10 0 BEAERN CCCCN(CCO)C(=O)[C@@H]1CCC[C@H]1C ZINC000230169855 134485609 /nfs/dbraw/zinc/48/56/09/134485609.db2.gz MBZNFRKGJOWBKK-VXGBXAGGSA-N 0 0 227.348 2.044 10 0 BEAERN O=C(c1cccc(O)c1)N1C[C@H]2CCC[C@@H]21 ZINC000334446234 386082145 /nfs/dbraw/zinc/08/21/45/386082145.db2.gz PFRBWTMCTSMELV-PWSUYJOCSA-N 0 0 217.268 2.017 10 0 BEAERN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C ZINC000345267203 386086241 /nfs/dbraw/zinc/08/62/41/386086241.db2.gz PISDMZRPYAPELN-RVMXOQNASA-N 0 0 239.359 2.185 10 0 BEAERN COC(=O)c1ccnc2c(C)cccc12 ZINC000224552082 386144367 /nfs/dbraw/zinc/14/43/67/386144367.db2.gz OQSSKGSCBLWROY-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN Cn1c(NC(C)(C)C)nnc1C1CCC1 ZINC000308851399 386166534 /nfs/dbraw/zinc/16/65/34/386166534.db2.gz ASPNNBJTIRIYIT-UHFFFAOYSA-N 0 0 208.309 2.293 10 0 BEAERN Cc1ccc(CNC2N=NC(=S)S2)o1 ZINC000053039914 386173357 /nfs/dbraw/zinc/17/33/57/386173357.db2.gz MMYZTUGDISJKKE-UHFFFAOYSA-N 0 0 227.314 2.340 10 0 BEAERN Clc1n[nH]c([C@H]2CCCSCC2)n1 ZINC000575576091 386181952 /nfs/dbraw/zinc/18/19/52/386181952.db2.gz DNVIXOKMTYHMCO-LURJTMIESA-N 0 0 217.725 2.459 10 0 BEAERN CCC[C@H](O)Cc1nc([C@H]2CC23CC3)no1 ZINC000351293758 386186100 /nfs/dbraw/zinc/18/61/00/386186100.db2.gz UMHWVUIJZGCQTG-DTWKUNHWSA-N 0 0 222.288 2.041 10 0 BEAERN CSCCCCNc1nccc(C)n1 ZINC000124695027 386130810 /nfs/dbraw/zinc/13/08/10/386130810.db2.gz DOFZZRNKDQGBJJ-UHFFFAOYSA-N 0 0 211.334 2.340 10 0 BEAERN Cc1cscc1NCc1cncn1C ZINC000129841955 386131111 /nfs/dbraw/zinc/13/11/11/386131111.db2.gz OUZPDRQZOCEPNQ-UHFFFAOYSA-N 0 0 207.302 2.402 10 0 BEAERN CCCc1cnc(Br)cn1 ZINC000044117280 386256450 /nfs/dbraw/zinc/25/64/50/386256450.db2.gz LYOCQKXPKQQLIK-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN Cc1noc(NC(=O)C(F)(F)C(F)F)c1C ZINC000235803430 386192326 /nfs/dbraw/zinc/19/23/26/386192326.db2.gz DLIJDYARBWGVGZ-UHFFFAOYSA-N 0 0 240.156 2.130 10 0 BEAERN O=C1N[C@@H](c2ccsc2Br)CO1 ZINC000575577121 386192744 /nfs/dbraw/zinc/19/27/44/386192744.db2.gz DZBXNUCCMJCFHL-RXMQYKEDSA-N 0 0 248.101 2.292 10 0 BEAERN C[C@@H]1CS[C@H](c2cncc(Cl)c2)N1 ZINC000575577297 386195143 /nfs/dbraw/zinc/19/51/43/386195143.db2.gz PORQGGDQCVNTFK-HZGVNTEJSA-N 0 0 214.721 2.459 10 0 BEAERN CC(C)c1nsc(NCC2(CCO)CC2)n1 ZINC000133014282 386285441 /nfs/dbraw/zinc/28/54/41/386285441.db2.gz OSSCHLCNAWTHEL-UHFFFAOYSA-N 0 0 241.360 2.236 10 0 BEAERN CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)[O-] ZINC000125698631 386294726 /nfs/dbraw/zinc/29/47/26/386294726.db2.gz HANXBTUHYJJZBE-HBNTYKKESA-N 0 0 213.321 2.264 10 0 BEAERN CC(C)Cn1ccnc(NC2CC=CC2)c1=O ZINC000091740901 386306771 /nfs/dbraw/zinc/30/67/71/386306771.db2.gz FYWROVWJSXYNHV-UHFFFAOYSA-N 0 0 233.315 2.030 10 0 BEAERN C[C@H](CO)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC000133407527 386321074 /nfs/dbraw/zinc/32/10/74/386321074.db2.gz KSEKZKTZMRBKAN-NEPJUHHUSA-N 0 0 249.354 2.097 10 0 BEAERN CN(C(=O)N1C[C@@H]2CCC[C@H]21)C1CCCC1 ZINC000335270894 386358729 /nfs/dbraw/zinc/35/87/29/386358729.db2.gz XQPQZDALNHVHEJ-CMPLNLGQSA-N 0 0 222.332 2.465 10 0 BEAERN CSCCc1nsc(Br)n1 ZINC000575594738 386368729 /nfs/dbraw/zinc/36/87/29/386368729.db2.gz QMYIONWPRHHXFY-UHFFFAOYSA-N 0 0 239.163 2.206 10 0 BEAERN CC[S@@](=N)(=O)c1nc2ccccc2o1 ZINC000521399856 386437769 /nfs/dbraw/zinc/43/77/69/386437769.db2.gz UMMPDVJLSRCOMI-CQSZACIVSA-N 0 0 210.258 2.253 10 0 BEAERN C[C@@H](O)c1ccnn1CCc1ccccc1 ZINC000521400114 386441747 /nfs/dbraw/zinc/44/17/47/386441747.db2.gz BHSAAHFBSMUAJN-LLVKDONJSA-N 0 0 216.284 2.179 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCS[C@@H]1C ZINC000645399877 386408361 /nfs/dbraw/zinc/40/83/61/386408361.db2.gz XISJHYWXDMZPKH-ZJUUUORDSA-N 0 0 237.372 2.328 10 0 BEAERN CCn1nccc1-c1cc(C=O)cc2c1OCO2 ZINC000521399165 386427236 /nfs/dbraw/zinc/42/72/36/386427236.db2.gz GXSFMLMXIXEAHZ-UHFFFAOYSA-N 0 0 244.250 2.111 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(F)c(CO)c1 ZINC000299890413 386497710 /nfs/dbraw/zinc/49/77/10/386497710.db2.gz ZIAWEUPLNZNXKZ-UHFFFAOYSA-N 0 0 226.247 2.273 10 0 BEAERN Nc1nc(Cl)c(Cl)nc1Br ZINC000299889067 386497770 /nfs/dbraw/zinc/49/77/70/386497770.db2.gz CYVNXIUGQQCPOC-UHFFFAOYSA-N 0 0 242.891 2.128 10 0 BEAERN CC(C)(C)OC(=O)c1noc2cccc(N)c21 ZINC000299889101 386497956 /nfs/dbraw/zinc/49/79/56/386497956.db2.gz DJHPCXJGFBMXIB-UHFFFAOYSA-N 0 0 234.255 2.365 10 0 BEAERN Cn1cc(Br)c2nc(Cl)ncc21 ZINC000299890249 386498477 /nfs/dbraw/zinc/49/84/77/386498477.db2.gz WPDPALSCYFGRQW-UHFFFAOYSA-N 0 0 246.495 2.384 10 0 BEAERN Cc1cnc([C@H](C)n2cccc2C=O)o1 ZINC000231755832 386518171 /nfs/dbraw/zinc/51/81/71/386518171.db2.gz CMMGRKVNSKMUGR-VIFPVBQESA-N 0 0 204.229 2.206 10 0 BEAERN N#Cc1ccc(F)c(C=O)c1OC(F)F ZINC000575641675 386575510 /nfs/dbraw/zinc/57/55/10/386575510.db2.gz XHDRDKQYMDWZHN-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000103387331 386578075 /nfs/dbraw/zinc/57/80/75/386578075.db2.gz QRFQEONTFSMRQO-WCBMZHEXSA-N 0 0 239.315 2.356 10 0 BEAERN COC(=O)c1ccc2cc(OC)ccc2n1 ZINC000062608225 386584350 /nfs/dbraw/zinc/58/43/50/386584350.db2.gz GQYBUSRBBJVAED-UHFFFAOYSA-N 0 0 217.224 2.030 10 0 BEAERN N#Cc1c(CO)ccc(F)c1C(F)(F)F ZINC000575644523 386586022 /nfs/dbraw/zinc/58/60/22/386586022.db2.gz AVPYXTDJGJVIJS-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN Cc1ccc(CN(C)C(=O)c2cscn2)o1 ZINC000062658755 386586229 /nfs/dbraw/zinc/58/62/29/386586229.db2.gz JVYZGYGABRUZLN-UHFFFAOYSA-N 0 0 236.296 2.317 10 0 BEAERN Cc1ccc(C(F)(F)F)c(CO)c1[N+](=O)[O-] ZINC000575637631 386550430 /nfs/dbraw/zinc/55/04/30/386550430.db2.gz CJLFBCFKNXFQIR-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)c(N)c1C ZINC000575638810 386559374 /nfs/dbraw/zinc/55/93/74/386559374.db2.gz DBNNZMMRRXXPLX-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COc1cc(C#N)c(OC(F)F)c(C(C)=O)c1 ZINC000575639339 386561522 /nfs/dbraw/zinc/56/15/22/386561522.db2.gz GFDCSBHBNXRZEM-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCc1cc(CO)c(C#N)c(OC(F)F)c1 ZINC000575640369 386565894 /nfs/dbraw/zinc/56/58/94/386565894.db2.gz YHPNKKWZRUUSIX-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN CCc1cc(C(N)=O)cc(C(F)F)c1C#N ZINC000575640022 386566250 /nfs/dbraw/zinc/56/62/50/386566250.db2.gz FAUQJTPBHDIMIB-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCc1cc(OC(F)F)cc(C#N)c1CO ZINC000575640699 386570197 /nfs/dbraw/zinc/57/01/97/386570197.db2.gz PVPUDNIKBCHHNT-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN COC(=O)c1c(N)ccc(OC(F)(F)F)c1C ZINC000575640842 386571316 /nfs/dbraw/zinc/57/13/16/386571316.db2.gz PTCHYQMUXFYHID-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1c(N)ccc(C)c1OC(F)(F)F ZINC000575640807 386571968 /nfs/dbraw/zinc/57/19/68/386571968.db2.gz PFAWXOAXJZRRIE-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN Cc1c(C=O)ccc(C#N)c1OC(F)F ZINC000575641556 386573502 /nfs/dbraw/zinc/57/35/02/386573502.db2.gz QBZIDSVQVXKELI-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CC[S@](=O)Nc1cnc(Cl)cc1C ZINC000307428440 386649975 /nfs/dbraw/zinc/64/99/75/386649975.db2.gz AKBHDFSQPAEHDD-ZDUSSCGKSA-N 0 0 218.709 2.139 10 0 BEAERN CSc1ccc(N2CC[C@@H](C)[C@@H]2C)nn1 ZINC000301492087 386659377 /nfs/dbraw/zinc/65/93/77/386659377.db2.gz OXHFDQWRIFPRKX-BDAKNGLRSA-N 0 0 223.345 2.433 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@](C)(O)CC1 ZINC000230369786 134508630 /nfs/dbraw/zinc/50/86/30/134508630.db2.gz FNJCPICNNROQQO-YRGRVCCFSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1cnc(Cl)s1 ZINC000296386947 386712440 /nfs/dbraw/zinc/71/24/40/386712440.db2.gz UBMTYXVAOYPLOE-IONNQARKSA-N 0 0 246.763 2.142 10 0 BEAERN NC(=S)c1ccc(N2CCC2)c(Cl)c1 ZINC000306922969 386711233 /nfs/dbraw/zinc/71/12/33/386711233.db2.gz XTPWGTZCYKJCPZ-UHFFFAOYSA-N 0 0 226.732 2.184 10 0 BEAERN CCOC(=O)c1ccc(N)cc1OC(F)(F)F ZINC000575339107 386684797 /nfs/dbraw/zinc/68/47/97/386684797.db2.gz JTFLEGVGIITSDG-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN Cc1cc(-c2nc([C@H]3CC3(C)C)no2)cnn1 ZINC000329565140 386708561 /nfs/dbraw/zinc/70/85/61/386708561.db2.gz OFAHHWKEXCOSRD-SECBINFHSA-N 0 0 230.271 2.349 10 0 BEAERN Clc1nnc(NCc2ccco2)s1 ZINC000307357151 386730473 /nfs/dbraw/zinc/73/04/73/386730473.db2.gz WCNYKTQDMNCYLK-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN CC(C)(CO)S[C@@H]1CCCC(=O)C1 ZINC000307583245 386734177 /nfs/dbraw/zinc/73/41/77/386734177.db2.gz XYUMZZAATQQBMO-SECBINFHSA-N 0 0 202.319 2.002 10 0 BEAERN Cc1cnc(NC[C@H]2CCCC[C@H]2O)s1 ZINC000302909715 386734272 /nfs/dbraw/zinc/73/42/72/386734272.db2.gz YSPVHNCSOFKDNM-NXEZZACHSA-N 0 0 226.345 2.415 10 0 BEAERN CO[C@H](C)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114439354 386751813 /nfs/dbraw/zinc/75/18/13/386751813.db2.gz AFHNVIFZBFFLRM-TZMCWYRMSA-N 0 0 237.343 2.370 10 0 BEAERN NC(=S)Nc1ccc(C(F)F)cc1 ZINC000307611441 386753734 /nfs/dbraw/zinc/75/37/34/386753734.db2.gz JOCFGIASMBNJQS-UHFFFAOYSA-N 0 0 202.229 2.280 10 0 BEAERN CO[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000575448854 386759347 /nfs/dbraw/zinc/75/93/47/386759347.db2.gz NOSOXHCFJSKCFA-SECBINFHSA-N 0 0 248.095 2.062 10 0 BEAERN CS[C@H](C)CCC(=O)N[C@H]1C[C@H]1C ZINC000336665026 386764485 /nfs/dbraw/zinc/76/44/85/386764485.db2.gz XLCSTMHYGBRVGF-HLTSFMKQSA-N 0 0 201.335 2.043 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccc(F)cc1F ZINC000575361860 386766611 /nfs/dbraw/zinc/76/66/11/386766611.db2.gz OIIAOJKODVSYSJ-UHFFFAOYSA-N 0 0 242.221 2.489 10 0 BEAERN CCC(C)(C)CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192195866 386741497 /nfs/dbraw/zinc/74/14/97/386741497.db2.gz HSDIXAMJHHDGDG-GHMZBOCLSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)c1ccc(OC(F)(F)F)nc1C ZINC000575375024 386798815 /nfs/dbraw/zinc/79/88/15/386798815.db2.gz JGMYXAGQANXOST-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1nc(OC(F)(F)F)ccc1C ZINC000575375008 386799802 /nfs/dbraw/zinc/79/98/02/386799802.db2.gz GQIHQXVWBOJIEM-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cc(C)cc(OC(F)(F)F)n1 ZINC000575375066 386800554 /nfs/dbraw/zinc/80/05/54/386800554.db2.gz KHOVQBMIEWERJX-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCS(=O)(=O)c1ccc(N[C@@H]2C[C@@H]2C)cc1 ZINC000052291019 386907072 /nfs/dbraw/zinc/90/70/72/386907072.db2.gz ZWDXEVHMVOKWFM-JOYOIKCWSA-N 0 0 239.340 2.301 10 0 BEAERN CSCCC(=O)NCCc1ccc(C)cc1 ZINC000116209499 386927378 /nfs/dbraw/zinc/92/73/78/386927378.db2.gz LIPHUDCFUUYDHZ-UHFFFAOYSA-N 0 0 237.368 2.407 10 0 BEAERN CCC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000334877185 386938941 /nfs/dbraw/zinc/93/89/41/386938941.db2.gz QOYSAAGJZPHOLT-RYUDHWBXSA-N 0 0 237.343 2.347 10 0 BEAERN Cc1cnc(N[C@@H](C)[C@@H]2CCCO2)s1 ZINC000302848043 386941852 /nfs/dbraw/zinc/94/18/52/386941852.db2.gz OPQYLUPEXXPQHR-IUCAKERBSA-N 0 0 212.318 2.431 10 0 BEAERN Cc1cnc(NCCC2(C)OCCO2)s1 ZINC000302882405 386943672 /nfs/dbraw/zinc/94/36/72/386943672.db2.gz JXCAIACTEXGWJM-UHFFFAOYSA-N 0 0 228.317 2.017 10 0 BEAERN CO[C@@H](C)c1cccc(N[C@H]2CCN(C)C2=O)c1 ZINC000116391487 386943708 /nfs/dbraw/zinc/94/37/08/386943708.db2.gz OVEDPFDBQDXXLN-GWCFXTLKSA-N 0 0 248.326 2.037 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000116748147 386977311 /nfs/dbraw/zinc/97/73/11/386977311.db2.gz OXHNUJDHFDEOAU-ZWNOBZJWSA-N 0 0 241.294 2.011 10 0 BEAERN CCOC(=O)Cc1cc(F)c(OC)c(F)c1F ZINC000575397449 386998664 /nfs/dbraw/zinc/99/86/64/386998664.db2.gz MKJZYNUJAXWMNK-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1cccc(F)c1F ZINC000399480892 387000225 /nfs/dbraw/zinc/00/02/25/387000225.db2.gz QBHWUBPMYYJHCL-GXSJLCMTSA-N 0 0 241.281 2.310 10 0 BEAERN CC(C)CCC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398821319 387001106 /nfs/dbraw/zinc/00/11/06/387001106.db2.gz ZJCDXBISTQESSA-RWMBFGLXSA-N 0 0 239.359 2.042 10 0 BEAERN Clc1nncn1[C@@H]1CCCSCC1 ZINC000575461460 387032526 /nfs/dbraw/zinc/03/25/26/387032526.db2.gz MZVKIKIYYMYYMX-SSDOTTSWSA-N 0 0 217.725 2.390 10 0 BEAERN Cc1nn(C(C)(C)C)c(=O)n1[C@@H]1CC[C@@H](C)C1 ZINC000334955413 387033784 /nfs/dbraw/zinc/03/37/84/387033784.db2.gz GYQRABUUQPZPTN-MWLCHTKSSA-N 0 0 237.347 2.469 10 0 BEAERN C[C@H]1CS[C@H](c2cncc(Cl)c2)N1 ZINC000575577298 387035367 /nfs/dbraw/zinc/03/53/67/387035367.db2.gz PORQGGDQCVNTFK-IMTBSYHQSA-N 0 0 214.721 2.459 10 0 BEAERN CCOc1ccc(CO)c(OC)c1OC(F)F ZINC000575656957 387043431 /nfs/dbraw/zinc/04/34/31/387043431.db2.gz ITJYGPCSHNRGOA-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN COc1cc(C=O)cc(F)c1OC(F)F ZINC000575660674 387050900 /nfs/dbraw/zinc/05/09/00/387050900.db2.gz XBFWTYNAPXPCNR-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C[C@@H]1CC[C@@H](n2ccc(=O)c3cnn(C)c32)C1 ZINC000334971209 387056075 /nfs/dbraw/zinc/05/60/75/387056075.db2.gz YDOXODOSDCBVPH-NXEZZACHSA-N 0 0 231.299 2.096 10 0 BEAERN CCCCCN1c2ccccc2[C@]2(CO2)C1=O ZINC000575434454 387058113 /nfs/dbraw/zinc/05/81/13/387058113.db2.gz ZAGIIWOAZWBOPS-CQSZACIVSA-N 0 0 231.295 2.449 10 0 BEAERN C[C@H]1C[C@@]1(C)c1onc(N)c1Br ZINC000575583586 387058311 /nfs/dbraw/zinc/05/83/11/387058311.db2.gz OHSYOMVIURQSKR-RNHFCUEFSA-N 0 0 231.093 2.147 10 0 BEAERN CC(C)N(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117591629 387023892 /nfs/dbraw/zinc/02/38/92/387023892.db2.gz SUWQQSAUGUTCNN-ZWNOBZJWSA-N 0 0 233.311 2.418 10 0 BEAERN CC(=O)n1ncc2ncc(C(F)(F)F)cc21 ZINC000575419637 387026182 /nfs/dbraw/zinc/02/61/82/387026182.db2.gz FQERVFKZJWNOQZ-UHFFFAOYSA-N 0 0 229.161 2.110 10 0 BEAERN Cc1ncc(-c2cc(=S)[nH]cn2)s1 ZINC000575458852 387029062 /nfs/dbraw/zinc/02/90/62/387029062.db2.gz RPKHUQAMOHJRKQ-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(C2CCCC2)no1 ZINC000070997479 387085795 /nfs/dbraw/zinc/08/57/95/387085795.db2.gz CSLDYMPGJMTTIT-JTQLQIEISA-N 0 0 224.304 2.287 10 0 BEAERN O[C@@H]1CC[C@H]1Nc1ccsc1Cl ZINC000575469441 387091254 /nfs/dbraw/zinc/09/12/54/387091254.db2.gz HNTWJJHHJBPJGC-IYSWYEEDSA-N 0 0 203.694 2.337 10 0 BEAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C ZINC000119083923 387095252 /nfs/dbraw/zinc/09/52/52/387095252.db2.gz LRGGFEMRRBKHFG-UHFFFAOYSA-N 0 0 216.284 2.487 10 0 BEAERN CC(C)Cn1ccnc(N[C@@H]2CCC[C@@H]2C)c1=O ZINC000071208143 387097849 /nfs/dbraw/zinc/09/78/49/387097849.db2.gz PPMNDLNLIDBQMP-NWDGAFQWSA-N 0 0 249.358 2.500 10 0 BEAERN CCCc1cc(NC(=O)C2=CCCC2)n[nH]1 ZINC000119424909 387131439 /nfs/dbraw/zinc/13/14/39/387131439.db2.gz GLFZTCCDIOFRPC-UHFFFAOYSA-N 0 0 219.288 2.411 10 0 BEAERN OCc1n[nH]c2cc(Cl)c(Cl)cc21 ZINC000575436259 387100983 /nfs/dbraw/zinc/10/09/83/387100983.db2.gz BLHYFTTUGZZFCA-UHFFFAOYSA-N 0 0 217.055 2.362 10 0 BEAERN c1nc(CNc2ncnc3ncccc32)cs1 ZINC000119190480 387103561 /nfs/dbraw/zinc/10/35/61/387103561.db2.gz XPUGGMKGZGUSEH-UHFFFAOYSA-N 0 0 243.295 2.093 10 0 BEAERN CO[C@@H](C)c1ncc(Br)c(F)n1 ZINC000575470802 387104372 /nfs/dbraw/zinc/10/43/72/387104372.db2.gz XQUKJAGMNITCAO-BYPYZUCNSA-N 0 0 235.056 2.086 10 0 BEAERN CN1CCC[C@H](c2nnc(Cl)s2)C1 ZINC000575471934 387110803 /nfs/dbraw/zinc/11/08/03/387110803.db2.gz BCXIIJFYMYBIIH-LURJTMIESA-N 0 0 217.725 2.001 10 0 BEAERN [NH3+][C@@H](CC(F)F)c1ccc(C(=O)[O-])cc1 ZINC000575438337 387128795 /nfs/dbraw/zinc/12/87/95/387128795.db2.gz IYQCCWJFMKBQQJ-QMMMGPOBSA-N 0 0 215.199 2.040 10 0 BEAERN Clc1csc(NC[C@@H]2CC23CC3)n1 ZINC000575483607 387192497 /nfs/dbraw/zinc/19/24/97/387192497.db2.gz QVPLFPDVNSNECI-LURJTMIESA-N 0 0 214.721 2.430 10 0 BEAERN Clc1csc(NC[C@H]2CC23CC3)n1 ZINC000575483608 387192689 /nfs/dbraw/zinc/19/26/89/387192689.db2.gz QVPLFPDVNSNECI-ZCFIWIBFSA-N 0 0 214.721 2.430 10 0 BEAERN c1cc(CNCc2cccc3c2OCO3)co1 ZINC000057998312 387153607 /nfs/dbraw/zinc/15/36/07/387153607.db2.gz BGTBITZPYXRVAE-UHFFFAOYSA-N 0 0 231.251 2.298 10 0 BEAERN CC(C)n1cc(O[C@@H]2CCCC[C@H]2O)cn1 ZINC000162030859 387156294 /nfs/dbraw/zinc/15/62/94/387156294.db2.gz GMDVUDHSDAQCSU-VXGBXAGGSA-N 0 0 224.304 2.146 10 0 BEAERN Cc1cn(CC=C(Cl)Cl)c(=O)[nH]1 ZINC000575587325 387157190 /nfs/dbraw/zinc/15/71/90/387157190.db2.gz QYSCTTIHIKIKNM-UHFFFAOYSA-N 0 0 207.060 2.216 10 0 BEAERN C[C@]1(O)CCC[C@@H]1SC1CCOCC1 ZINC000306202667 387161175 /nfs/dbraw/zinc/16/11/75/387161175.db2.gz XCYOFXAHEDBFEW-QWRGUYRKSA-N 0 0 216.346 2.202 10 0 BEAERN O=C1NC[C@@H](c2cccc(F)c2)C12CCC2 ZINC000536951500 387163213 /nfs/dbraw/zinc/16/32/13/387163213.db2.gz RUQRGYRFCVNTJH-NSHDSACASA-N 0 0 219.259 2.209 10 0 BEAERN CS(C)(=O)=Nc1ncccc1Cl ZINC000536951342 387163478 /nfs/dbraw/zinc/16/34/78/387163478.db2.gz QPNYGLJHGNVJHV-UHFFFAOYSA-N 0 0 204.682 2.094 10 0 BEAERN CCS(=O)(CC)=Nc1ccc(OC)cn1 ZINC000536951834 387163576 /nfs/dbraw/zinc/16/35/76/387163576.db2.gz XXJUOOKAYIHNAN-UHFFFAOYSA-N 0 0 228.317 2.230 10 0 BEAERN O=C1NC[C@@H](c2ccc(O)cc2)C12CCCC2 ZINC000536955176 387168040 /nfs/dbraw/zinc/16/80/40/387168040.db2.gz VIWAKGUTNMJVIO-LBPRGKRZSA-N 0 0 231.295 2.166 10 0 BEAERN CC(C)N(C)c1nccc2oc(C=O)cc21 ZINC000536960395 387172454 /nfs/dbraw/zinc/17/24/54/387172454.db2.gz USIBSTYQWCDPKX-UHFFFAOYSA-N 0 0 218.256 2.485 10 0 BEAERN Cn1cc(Br)c(C(=O)C2CCC2)n1 ZINC000575482158 387181846 /nfs/dbraw/zinc/18/18/46/387181846.db2.gz JSFLZKVLWZYQJE-UHFFFAOYSA-N 0 0 243.104 2.165 10 0 BEAERN C[C@@H](C(=O)N1CCCC[C@@H](CO)C1)C(C)(C)C ZINC000370674079 387134572 /nfs/dbraw/zinc/13/45/72/387134572.db2.gz SAUPUPFCJUHAFH-NWDGAFQWSA-N 0 0 241.375 2.290 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000228997197 387135976 /nfs/dbraw/zinc/13/59/76/387135976.db2.gz RCFGOQHYRIXELU-TUAOUCFPSA-N 0 0 239.359 2.090 10 0 BEAERN O=C(OCc1ccccc1)N1[C@@H]2C[C@H]1CC(=O)C2 ZINC000575440736 387136213 /nfs/dbraw/zinc/13/62/13/387136213.db2.gz WKUWXTRDQFJJEN-TXEJJXNPSA-N 0 0 245.278 2.129 10 0 BEAERN CCOC(=O)c1cnc(Cl)c(C)c1OC ZINC000575441772 387138602 /nfs/dbraw/zinc/13/86/02/387138602.db2.gz AOQMKYLXEJWWLM-UHFFFAOYSA-N 0 0 229.663 2.229 10 0 BEAERN CCC[C@H](CCO)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000300419438 387208976 /nfs/dbraw/zinc/20/89/76/387208976.db2.gz WJHRUYOTRZUJND-JHJVBQTASA-N 0 0 241.375 2.338 10 0 BEAERN C[C@@H]1CCN1c1ncc(N)cc1Br ZINC000575591454 387209238 /nfs/dbraw/zinc/20/92/38/387209238.db2.gz OMZFQCJLKDAIDL-ZCFIWIBFSA-N 0 0 242.120 2.025 10 0 BEAERN C[C@H](NCc1csc(Cl)n1)[C@@H]1CCCO1 ZINC000290035989 387210320 /nfs/dbraw/zinc/21/03/20/387210320.db2.gz NRSJPBBAEPGAFL-CBAPKCEASA-N 0 0 246.763 2.454 10 0 BEAERN Cc1cnc(N[C@@H]2CCC3(C2)OCCO3)s1 ZINC000306495479 387219515 /nfs/dbraw/zinc/21/95/15/387219515.db2.gz VPYLPFWTFQYNHI-SECBINFHSA-N 0 0 240.328 2.159 10 0 BEAERN Clc1ccc(-n2nnc3cccnc32)cc1 ZINC000169320989 387221288 /nfs/dbraw/zinc/22/12/88/387221288.db2.gz PLEUDFSFUVGWEV-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN CCCC1(CNC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000120359764 387234996 /nfs/dbraw/zinc/23/49/96/387234996.db2.gz KCDZCDCPTMXWQR-VHSXEESVSA-N 0 0 210.321 2.274 10 0 BEAERN Cc1n[nH]cc1CCCNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230170432 387237990 /nfs/dbraw/zinc/23/79/90/387237990.db2.gz GUTFTYTUJVUQJP-GXFFZTMASA-N 0 0 249.358 2.203 10 0 BEAERN CCC(CC)[C@H](O)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000230174561 387240363 /nfs/dbraw/zinc/24/03/63/387240363.db2.gz JYQMYIIDADWLAK-WCFLWFBJSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCC(C)(C)CCCO ZINC000230176412 387240800 /nfs/dbraw/zinc/24/08/00/387240800.db2.gz RPTSJYNHCZRZBC-NWDGAFQWSA-N 0 0 241.375 2.338 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000424684168 387247331 /nfs/dbraw/zinc/24/73/31/387247331.db2.gz FYUAIONIPDXZSY-FVCCEPFGSA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)CN(C(=O)[C@@H]1CCCO[C@H]1C)C1CC1 ZINC000188064189 387247651 /nfs/dbraw/zinc/24/76/51/387247651.db2.gz PKNPOSLTNPAXKP-WCQYABFASA-N 0 0 239.359 2.449 10 0 BEAERN CC(C)CN(C(=O)[C@H]1CCCO[C@H]1C)C1CC1 ZINC000188064233 387248057 /nfs/dbraw/zinc/24/80/57/387248057.db2.gz PKNPOSLTNPAXKP-AAEUAGOBSA-N 0 0 239.359 2.449 10 0 BEAERN COc1c(O)cc(C(C)=O)cc1OC(F)F ZINC000575662863 387195647 /nfs/dbraw/zinc/19/56/47/387195647.db2.gz KXTGOZOYKQCMCK-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CN1Cc2cc(NCC3CC3)ccc2NC1=O ZINC000187488538 387199314 /nfs/dbraw/zinc/19/93/14/387199314.db2.gz OQMZJZAAIHYAMG-UHFFFAOYSA-N 0 0 231.299 2.486 10 0 BEAERN Cc1cc(C=O)cc(O)c1OC(F)F ZINC000575662758 387200577 /nfs/dbraw/zinc/20/05/77/387200577.db2.gz HACFHGMZMZEPSK-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(C)cc(OC(F)F)c1C=O ZINC000575665674 387315193 /nfs/dbraw/zinc/31/51/93/387315193.db2.gz SGPBENWIYHKRSL-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN Nc1cccc(Br)c1N1CCC1 ZINC000575490442 387266557 /nfs/dbraw/zinc/26/65/57/387266557.db2.gz MQXHWXHXTGXRMJ-UHFFFAOYSA-N 0 0 227.105 2.241 10 0 BEAERN COc1cc(C(C)=O)cc(O)c1OC(F)F ZINC000575663221 387266815 /nfs/dbraw/zinc/26/68/15/387266815.db2.gz UAKPHIUEJQVFNA-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1c(C)cc(OC(F)F)cc1O ZINC000575664192 387289078 /nfs/dbraw/zinc/28/90/78/387289078.db2.gz DCKIKZHVBTUBCD-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CS[C@@H](C)C(=O)N(C(C)C)C1CCOCC1 ZINC000121483128 387354343 /nfs/dbraw/zinc/35/43/43/387354343.db2.gz DXFKUARFIIKUQV-JTQLQIEISA-N 0 0 245.388 2.154 10 0 BEAERN CC(C)(C)c1cc2c(c(Cl)n1)C(=O)O[C@H]2O ZINC000575601429 387360160 /nfs/dbraw/zinc/36/01/60/387360160.db2.gz FQFWEPNDPBQLQN-SECBINFHSA-N 0 0 241.674 2.194 10 0 BEAERN Nc1ccn(C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000575601710 387364343 /nfs/dbraw/zinc/36/43/43/387364343.db2.gz HBOAIDVJJSAYHY-NEPJUHHUSA-N 0 0 213.284 2.099 10 0 BEAERN Cn1c2ccccc2nc1[C@H]1CC[C@@H](O)C1 ZINC000575602903 387366423 /nfs/dbraw/zinc/36/64/23/387366423.db2.gz ZTOPDGXPCJVYMK-VHSXEESVSA-N 0 0 216.284 2.202 10 0 BEAERN Cn1c2ccccc2nc1[C@@H]1CC[C@H](O)C1 ZINC000575602905 387366765 /nfs/dbraw/zinc/36/67/65/387366765.db2.gz ZTOPDGXPCJVYMK-ZJUUUORDSA-N 0 0 216.284 2.202 10 0 BEAERN COC(=O)Cc1coc2cc3c(cc12)CCO3 ZINC000575602833 387367146 /nfs/dbraw/zinc/36/71/46/387367146.db2.gz SINPDJQGTCYXMO-UHFFFAOYSA-N 0 0 232.235 2.083 10 0 BEAERN N=[S@]1(=O)CCC[C@@H](C(F)(F)F)CC1 ZINC000575601763 387368998 /nfs/dbraw/zinc/36/89/98/387368998.db2.gz BYKKZKOKQYQLLH-UANNBLPKSA-N 0 0 215.240 2.396 10 0 BEAERN CC(C)C[C@@H](C)C(=O)NC[C@H](O)C(C)(C)C ZINC000360951877 387372084 /nfs/dbraw/zinc/37/20/84/387372084.db2.gz UHHSRKIOSKSGHE-MNOVXSKESA-N 0 0 229.364 2.192 10 0 BEAERN COC(=O)Cc1coc2cc3c(cc12)CCCO3 ZINC000575603034 387373474 /nfs/dbraw/zinc/37/34/74/387373474.db2.gz YXUSMLVFLWKNDK-UHFFFAOYSA-N 0 0 246.262 2.473 10 0 BEAERN CC[C@@H](CO)Nc1ccc(Cl)cc1N ZINC000035599999 387374153 /nfs/dbraw/zinc/37/41/53/387374153.db2.gz SUIWJWKTWUIBAY-QMMMGPOBSA-N 0 0 214.696 2.105 10 0 BEAERN COc1c(F)ccc(CO)c1Br ZINC000575689061 387376115 /nfs/dbraw/zinc/37/61/15/387376115.db2.gz JUCHTMNOMBRLRC-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1cscc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000267265158 387378219 /nfs/dbraw/zinc/37/82/19/387378219.db2.gz PMILCUBPWYQZRO-AOOOYVTPSA-N 0 0 239.340 2.306 10 0 BEAERN COc1cc(O)c(Br)c(C(C)=O)c1 ZINC000575690358 387381518 /nfs/dbraw/zinc/38/15/18/387381518.db2.gz KSJPYDFOJBKDDJ-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CCc1cc(CO)cc(C=O)c1C(F)F ZINC000575666773 387319479 /nfs/dbraw/zinc/31/94/79/387319479.db2.gz FWGUULNAKGBHIJ-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCOc1cc(O)c(CO)c(C(F)F)c1 ZINC000575668151 387324549 /nfs/dbraw/zinc/32/45/49/387324549.db2.gz RJMXUSSQCLDCKV-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CCOc1cc(CO)c(O)cc1C(F)F ZINC000575668580 387327695 /nfs/dbraw/zinc/32/76/95/387327695.db2.gz ZXOKQMYSSDRMQD-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN Cc1cc(C=O)c(CO)cc1C(F)F ZINC000575669516 387328371 /nfs/dbraw/zinc/32/83/71/387328371.db2.gz ZDTSILRPVVNUBG-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CCC(CC)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000193150227 387329245 /nfs/dbraw/zinc/32/92/45/387329245.db2.gz CMZDYKWVJIRBRM-NWDGAFQWSA-N 0 0 227.348 2.090 10 0 BEAERN COc1cc(C(F)F)cc(CO)c1C ZINC000575670695 387333908 /nfs/dbraw/zinc/33/39/08/387333908.db2.gz KHUVNXMGMFBOAD-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(C)c(C(F)F)c(CO)c1 ZINC000575671531 387334683 /nfs/dbraw/zinc/33/46/83/387334683.db2.gz RCQZDMNALMSFTN-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN CC(C)n1cccc1C(=O)NCc1cscn1 ZINC000121310274 387338167 /nfs/dbraw/zinc/33/81/67/387338167.db2.gz NFXGRYZNQSBDKP-UHFFFAOYSA-N 0 0 249.339 2.456 10 0 BEAERN CCOC(=O)c1cc(C)cc(OC)c1OC ZINC000575672879 387339586 /nfs/dbraw/zinc/33/95/86/387339586.db2.gz RMBNEQIASYSYQY-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN COc1cc(C)c(C(F)(F)F)c(C(N)=O)c1 ZINC000575673258 387341187 /nfs/dbraw/zinc/34/11/87/387341187.db2.gz HFMAHRRTMGJPMU-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN C[C@@H](Nc1cccc(C(N)=O)c1)[C@H]1C[C@H]1C ZINC000322002420 387346847 /nfs/dbraw/zinc/34/68/47/387346847.db2.gz HBYGUCVZMZMCDL-LNLATYFQSA-N 0 0 218.300 2.242 10 0 BEAERN C[C@@H]1CN(c2cc(Br)ncn2)[C@H]1C ZINC000575599235 387351869 /nfs/dbraw/zinc/35/18/69/387351869.db2.gz CWWJKVVDKUYJJM-RQJHMYQMSA-N 0 0 242.120 2.084 10 0 BEAERN Cn1nc(Br)cc1[C@H](O)C1CCC1 ZINC000575599238 387351906 /nfs/dbraw/zinc/35/19/06/387351906.db2.gz DCHZAMDNXSPJLD-SECBINFHSA-N 0 0 245.120 2.016 10 0 BEAERN Nc1noc([C@H]2C[C@H]3C[C@H]3C2)c1Br ZINC000575500508 387352559 /nfs/dbraw/zinc/35/25/59/387352559.db2.gz FXWGQLMBDWAVNB-FMCRUOTFSA-N 0 0 243.104 2.363 10 0 BEAERN CC(=O)c1c(N)c(C(F)(F)F)ccc1O ZINC000575718341 387424938 /nfs/dbraw/zinc/42/49/38/387424938.db2.gz FGRQGEORHIHBJT-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CNc1nsnc1-c1scnc1C ZINC000575515792 387426904 /nfs/dbraw/zinc/42/69/04/387426904.db2.gz UVFGUTOWCGDTNS-UHFFFAOYSA-N 0 0 212.303 2.012 10 0 BEAERN CC(=O)c1c(N)c(F)ccc1OC(F)F ZINC000575716091 387432307 /nfs/dbraw/zinc/43/23/07/387432307.db2.gz JERTULOJSQEHFR-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN COc1cc(N)c(C(F)(F)F)cc1C(C)=O ZINC000575716455 387432363 /nfs/dbraw/zinc/43/23/63/387432363.db2.gz GSXZNDIBNAVZNY-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN COc1cc(OC(F)F)c(N)cc1C(C)=O ZINC000575716844 387433310 /nfs/dbraw/zinc/43/33/10/387433310.db2.gz KIWSMLNFSBWNHE-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN COc1ccc(N)c(C(C)=O)c1OC(F)F ZINC000575716751 387433730 /nfs/dbraw/zinc/43/37/30/387433730.db2.gz ISOOXLKONXITSB-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOc1cc(N)c(CC)c(C(C)=O)c1 ZINC000575717234 387435272 /nfs/dbraw/zinc/43/52/72/387435272.db2.gz LILLDZVKMJMJFL-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1ccc(N)c(C(F)(F)F)c1C(C)=O ZINC000575717181 387435300 /nfs/dbraw/zinc/43/53/00/387435300.db2.gz SKNLZXJARUCKKN-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN Nc1cc(Cl)c(O)cc1Br ZINC000575719468 387436535 /nfs/dbraw/zinc/43/65/35/387436535.db2.gz DBFPBOJIOOJCLS-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CC(=O)c1c(C)c(N)ccc1OC(F)F ZINC000575717585 387436549 /nfs/dbraw/zinc/43/65/49/387436549.db2.gz SXWXLWZWOGZCQA-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1c(C)ccc(OC(F)F)c1N ZINC000575717527 387436773 /nfs/dbraw/zinc/43/67/73/387436773.db2.gz RVAMLTDMYWGHNG-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN O=C(c1ccc(F)cc1)N1CCC[C@H]2COC[C@H]21 ZINC000374287176 387437552 /nfs/dbraw/zinc/43/75/52/387437552.db2.gz JVPIDIYZDVPBHZ-WCQYABFASA-N 0 0 249.285 2.077 10 0 BEAERN Nc1c(Cl)c(O)ccc1Br ZINC000575719807 387439436 /nfs/dbraw/zinc/43/94/36/387439436.db2.gz LJOBCZZYACKLJO-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CC(=O)c1c(N)cc(O)cc1C(F)(F)F ZINC000575719613 387440325 /nfs/dbraw/zinc/44/03/25/387440325.db2.gz WDAUWLPXUMVMJQ-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Cc1ccc(O)c(Br)c1N ZINC000575720358 387441708 /nfs/dbraw/zinc/44/17/08/387441708.db2.gz LOIKZOGOJDBILC-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN Nc1ccc(O)c(Cl)c1OC(F)F ZINC000575721066 387443211 /nfs/dbraw/zinc/44/32/11/387443211.db2.gz WAPRIBFHWXVGTR-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1ccc(OCC)c(OC)c1N ZINC000575721297 387443366 /nfs/dbraw/zinc/44/33/66/387443366.db2.gz JDAZEAHXTBQCGK-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN CCOc1cc(OC)c(OCC)cc1N ZINC000575721460 387445084 /nfs/dbraw/zinc/44/50/84/387445084.db2.gz LXMPUIRKECKORZ-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN CCCn1nccc1NC(=O)CO[C@H](C)CC ZINC000121978069 387445865 /nfs/dbraw/zinc/44/58/65/387445865.db2.gz MKLCOUYJJSXCAB-SNVBAGLBSA-N 0 0 239.319 2.047 10 0 BEAERN CC(=O)c1ccc(N)c(C(F)(F)F)c1N ZINC000575722594 387445947 /nfs/dbraw/zinc/44/59/47/387445947.db2.gz HHGUASKEJZJEBF-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN COc1c(C)cc(N)cc1OC(F)F ZINC000575723180 387446152 /nfs/dbraw/zinc/44/61/52/387446152.db2.gz KSKGRMWXKVQVMC-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(N)c1CC ZINC000575723605 387447411 /nfs/dbraw/zinc/44/74/11/387447411.db2.gz CNFZIUABHKKYLK-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)c1cc(F)c(N)cc1CC ZINC000575723907 387447619 /nfs/dbraw/zinc/44/76/19/387447619.db2.gz IMYCDWANRTVIEO-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCc1cc(CC)nc(N[C@H](C)C(C)C)n1 ZINC000393837721 259713792 /nfs/dbraw/zinc/71/37/92/259713792.db2.gz NQJWEZPHYJWFEB-SNVBAGLBSA-N 0 0 221.348 2.480 10 0 BEAERN C[C@@H]1CC[C@H]1NC1N=NC(=S)S1 ZINC000306277531 387455402 /nfs/dbraw/zinc/45/54/02/387455402.db2.gz NSMVXMRZFVIFKG-RFZPGFLSSA-N 0 0 201.320 2.037 10 0 BEAERN C[C@H]1CC[C@H]1NC1N=NC(=S)S1 ZINC000306277530 387456728 /nfs/dbraw/zinc/45/67/28/387456728.db2.gz NSMVXMRZFVIFKG-CRCLSJGQSA-N 0 0 201.320 2.037 10 0 BEAERN CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000122017396 387459218 /nfs/dbraw/zinc/45/92/18/387459218.db2.gz ZRWYJOMHBMYKSI-RNCFNFMXSA-N 0 0 247.294 2.395 10 0 BEAERN CCOC(=O)c1ccc(C(F)(F)F)c(N)c1O ZINC000575724884 387459290 /nfs/dbraw/zinc/45/92/90/387459290.db2.gz MPZRQDRIGLESBG-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Nc1ncc(Cl)cc1-c1cncs1 ZINC000575514495 387386574 /nfs/dbraw/zinc/38/65/74/387386574.db2.gz IBTVQDJVLVHYQT-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@H](O)CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000121618715 387386901 /nfs/dbraw/zinc/38/69/01/387386901.db2.gz TZUSXVYMHYILSS-CYZMBNFOSA-N 0 0 239.359 2.090 10 0 BEAERN CSCCC(=O)N(C(C)C)C1CCOCC1 ZINC000121609246 387388293 /nfs/dbraw/zinc/38/82/93/387388293.db2.gz HQRMYZKCHZTESO-UHFFFAOYSA-N 0 0 245.388 2.156 10 0 BEAERN CCOc1c(OC)ccc(OC)c1C(C)=O ZINC000575696500 387396972 /nfs/dbraw/zinc/39/69/72/387396972.db2.gz WCTDCGKGTUCOJE-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCc1cc(OC)c(SC)cc1C(N)=O ZINC000575704020 387400060 /nfs/dbraw/zinc/40/00/60/387400060.db2.gz SWDNYFRMDNJAPS-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CCc1c(SC)ccc(OC)c1C(N)=O ZINC000575703880 387400636 /nfs/dbraw/zinc/40/06/36/387400636.db2.gz QTGZXNLBSWCARW-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CCOC(=O)Cc1cc(O)c(Cl)cc1OC ZINC000575700973 387403494 /nfs/dbraw/zinc/40/34/94/387403494.db2.gz ODTWAMNQWIJLLB-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCc1ccc(C)c(C(N)=O)c1SC ZINC000575704616 387408953 /nfs/dbraw/zinc/40/89/53/387408953.db2.gz YFAXEZDRCMCXDF-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN COc1cc(F)c(CO)c(SC)c1 ZINC000575707630 387411605 /nfs/dbraw/zinc/41/16/05/387411605.db2.gz DNJILWRDLLHSPX-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1cc(F)c(C=O)c(SC)c1 ZINC000575707564 387411815 /nfs/dbraw/zinc/41/18/15/387411815.db2.gz FGXICIXKLQUWSX-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COc1cc(CO)cc(OC(F)(F)F)c1F ZINC000575708556 387413385 /nfs/dbraw/zinc/41/33/85/387413385.db2.gz RVOXDIJJZMNPCV-UHFFFAOYSA-N 0 0 240.152 2.225 10 0 BEAERN COC(=O)Cc1cc(O)c(C)cc1Cl ZINC000575712091 387415197 /nfs/dbraw/zinc/41/51/97/387415197.db2.gz BXLVSLPNEVRQGN-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN COC(=O)c1cc(C)c(O)cc1Br ZINC000575712109 387415407 /nfs/dbraw/zinc/41/54/07/387415407.db2.gz FJUYRPYRPVJZOM-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN Cc1c(N)c(OC(F)(F)F)ccc1O ZINC000575727434 387460993 /nfs/dbraw/zinc/46/09/93/387460993.db2.gz DXSUMIQRCARKPS-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN CCC[C@]1(c2ccccc2)CC(=O)N(C)C1=O ZINC000584623812 387502527 /nfs/dbraw/zinc/50/25/27/387502527.db2.gz OOFXBDTWYKKPNF-CQSZACIVSA-N 0 0 231.295 2.113 10 0 BEAERN Cc1nc2oc3cc(C)ccc3c(=O)c2[nH]1 ZINC000584623693 387502592 /nfs/dbraw/zinc/50/25/92/387502592.db2.gz IVTBJQJLESOPCN-UHFFFAOYSA-N 0 0 214.224 2.286 10 0 BEAERN COCC1CCC(=C2SC(=O)NC2=O)CC1 ZINC000584623553 387502781 /nfs/dbraw/zinc/50/27/81/387502781.db2.gz BERBODWUGBPYAM-UHFFFAOYSA-N 0 0 241.312 2.060 10 0 BEAERN CCC[C@H]1C(=O)NC(=O)[C@@]1(C)c1ccccc1 ZINC000584623742 387502931 /nfs/dbraw/zinc/50/29/31/387502931.db2.gz MXKIIIUVBZQNBG-FZMZJTMJSA-N 0 0 231.295 2.017 10 0 BEAERN Cc1cc(C)cc(OCC[C@@H]2CNC(=O)O2)c1 ZINC000584627001 387503814 /nfs/dbraw/zinc/50/38/14/387503814.db2.gz AUGMTOSSFBYBFV-LLVKDONJSA-N 0 0 235.283 2.181 10 0 BEAERN CCOC(=O)c1cc(N)cc(C(F)(F)F)c1N ZINC000575726951 387463302 /nfs/dbraw/zinc/46/33/02/387463302.db2.gz RLRTUMYVFPYVAC-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN COc1cc(O)cc(N)c1C(F)(F)F ZINC000575727047 387463976 /nfs/dbraw/zinc/46/39/76/387463976.db2.gz APDVUANXIJXJCN-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COC(=O)Cc1c(N)c(Cl)ccc1Cl ZINC000575729901 387467670 /nfs/dbraw/zinc/46/76/70/387467670.db2.gz OJEODWDTJMTSPA-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN COC(=O)Cc1ccc(N)c(Cl)c1Cl ZINC000575730362 387471763 /nfs/dbraw/zinc/47/17/63/387471763.db2.gz RHVBUFCQUFSMEV-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN Cc1nn(C[C@@H]2C[C@H]2C)c(N)c1Br ZINC000575539655 387583649 /nfs/dbraw/zinc/58/36/49/387583649.db2.gz YYANMGAOLQNPDI-VDTYLAMSSA-N 0 0 244.136 2.192 10 0 BEAERN Nc1c(Br)cnn1C[C@H]1CC12CC2 ZINC000575536925 387585028 /nfs/dbraw/zinc/58/50/28/387585028.db2.gz BDTQCRVGXDQGGX-ZCFIWIBFSA-N 0 0 242.120 2.028 10 0 BEAERN C[C@@H]1CCN1C(=O)C1=CC(=S)CS1 ZINC000575536927 387585074 /nfs/dbraw/zinc/58/50/74/387585074.db2.gz YOXNEPYNJCPNNV-ZCFIWIBFSA-N 0 0 213.327 2.271 10 0 BEAERN C[C@H]1C[C@H]1CNc1cnn(C)c1Br ZINC000575540965 387590242 /nfs/dbraw/zinc/59/02/42/387590242.db2.gz HVAJSMURPORWDM-BQBZGAKWSA-N 0 0 244.136 2.251 10 0 BEAERN COCc1ccc(C(=O)Nc2ccnc(C)c2)o1 ZINC000123836100 387595319 /nfs/dbraw/zinc/59/53/19/387595319.db2.gz DONLNHOIMZKTRV-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN Cc1nnc(CN2CCC3(CCC3)C2)n1C1CC1 ZINC000122811426 387604411 /nfs/dbraw/zinc/60/44/11/387604411.db2.gz DIRYPYXDPQLGJD-UHFFFAOYSA-N 0 0 246.358 2.297 10 0 BEAERN Cc1nnc(CN2CC[C@H](C)[C@H](C)C2)n1C1CC1 ZINC000122808769 387605542 /nfs/dbraw/zinc/60/55/42/387605542.db2.gz RHZMMAZCVYKMRX-WDEREUQCSA-N 0 0 248.374 2.399 10 0 BEAERN CCOc1ccccc1CCC(=O)N(C)CC ZINC000124276726 387611575 /nfs/dbraw/zinc/61/15/75/387611575.db2.gz NZZZSRPKMTZUNJ-UHFFFAOYSA-N 0 0 235.327 2.496 10 0 BEAERN CC(C)CC1(CNC(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000124576220 387623635 /nfs/dbraw/zinc/62/36/35/387623635.db2.gz YJXIJVQUJJQEML-NEPJUHHUSA-N 0 0 239.359 2.496 10 0 BEAERN O=C1COC[C@H]1Cc1ccsc1Cl ZINC000575532382 387550917 /nfs/dbraw/zinc/55/09/17/387550917.db2.gz YMEHSQZYSAZLMS-SSDOTTSWSA-N 0 0 216.689 2.160 10 0 BEAERN C[C@H]1CC[C@@H](N2CN=NC2=S)CS1 ZINC000575536120 387576311 /nfs/dbraw/zinc/57/63/11/387576311.db2.gz TVNXYADSEYJAJC-NKWVEPMBSA-N 0 0 215.347 2.023 10 0 BEAERN Fc1cc(F)cc(CN2CC(n3cccn3)C2)c1 ZINC000362120418 387576729 /nfs/dbraw/zinc/57/67/29/387576729.db2.gz VLKLMMKRQIQJIX-UHFFFAOYSA-N 0 0 249.264 2.218 10 0 BEAERN Cc1cn(C2CC(F)(F)C2)c(=S)[nH]1 ZINC000575535967 387577350 /nfs/dbraw/zinc/57/73/50/387577350.db2.gz ALRDJOVLMOIUFP-UHFFFAOYSA-N 0 0 204.245 2.450 10 0 BEAERN CN(CC1CCC1)C(=O)c1cnn2c1CCCC2 ZINC000126782480 387694500 /nfs/dbraw/zinc/69/45/00/387694500.db2.gz IQIATJLOCIDAHL-UHFFFAOYSA-N 0 0 247.342 2.092 10 0 BEAERN CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000124832444 387633336 /nfs/dbraw/zinc/63/33/36/387633336.db2.gz YJQWVSQAWCRNKP-ZANVPECISA-N 0 0 247.294 2.395 10 0 BEAERN O[C@@H]1CC[C@H]1Nc1cccc(Br)c1 ZINC000575546877 387633859 /nfs/dbraw/zinc/63/38/59/387633859.db2.gz VYMSCXQYBSLZFV-NXEZZACHSA-N 0 0 242.116 2.384 10 0 BEAERN CCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124828639 387633979 /nfs/dbraw/zinc/63/39/79/387633979.db2.gz MOOYOLVJEFESGY-YNEHKIRRSA-N 0 0 240.391 2.364 10 0 BEAERN CC(=O)CCN1CCO[C@H](c2ccccc2)C1 ZINC000125012781 387642211 /nfs/dbraw/zinc/64/22/11/387642211.db2.gz ZJCFJUDGJPTMSR-AWEZNQCLSA-N 0 0 233.311 2.039 10 0 BEAERN CCC[C@H](C)C(=O)NCc1cscn1 ZINC000123073497 387643851 /nfs/dbraw/zinc/64/38/51/387643851.db2.gz WWNYAAYHWVFXGY-QMMMGPOBSA-N 0 0 212.318 2.196 10 0 BEAERN Cc1ncc(C2N=NC(=S)S2)s1 ZINC000575549701 387647123 /nfs/dbraw/zinc/64/71/23/387647123.db2.gz MEJDATOSLOGYLS-UHFFFAOYSA-N 0 0 215.328 2.259 10 0 BEAERN CCC1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000125239846 387648574 /nfs/dbraw/zinc/64/85/74/387648574.db2.gz XWQAHRJTWWAIFR-MOENNCHZSA-N 0 0 225.332 2.108 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1nccs1 ZINC000575551661 387650206 /nfs/dbraw/zinc/65/02/06/387650206.db2.gz XFYGCCQAISQBHW-RNFRBKRXSA-N 0 0 200.332 2.449 10 0 BEAERN O=C(c1cc(-c2ccccc2)no1)N1CCCO1 ZINC000125351030 387654147 /nfs/dbraw/zinc/65/41/47/387654147.db2.gz HHOHCPXKOBWAIF-UHFFFAOYSA-N 0 0 244.250 2.119 10 0 BEAERN CC(C)c1cccc(OCC(=O)N2CCCO2)c1 ZINC000125418752 387656005 /nfs/dbraw/zinc/65/60/05/387656005.db2.gz MNGBIGZYMLIXRB-UHFFFAOYSA-N 0 0 249.310 2.353 10 0 BEAERN CCOC(=O)c1cc2ccc(=O)[nH]c2s1 ZINC000575444825 387658248 /nfs/dbraw/zinc/65/82/48/387658248.db2.gz UMIGJKFVTOZTPE-UHFFFAOYSA-N 0 0 223.253 2.179 10 0 BEAERN COCc1ccc(C(=O)Nc2ccccn2)o1 ZINC000123268048 387672084 /nfs/dbraw/zinc/67/20/84/387672084.db2.gz MNZPQLKDUXBOBM-UHFFFAOYSA-N 0 0 232.239 2.073 10 0 BEAERN COCc1ccc(C(=O)Nc2ccc(C)cn2)o1 ZINC000123258983 387672629 /nfs/dbraw/zinc/67/26/29/387672629.db2.gz MRFUKAVFZSBLDX-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN COC(=O)C1CC(F)(c2ccccc2)C1 ZINC000575447732 387689213 /nfs/dbraw/zinc/68/92/13/387689213.db2.gz OOIDWOCLNHJUGV-UHFFFAOYSA-N 0 0 208.232 2.434 10 0 BEAERN O=Cc1cnc([C@@H]2CC2(Cl)Cl)o1 ZINC000575572031 387747944 /nfs/dbraw/zinc/74/79/44/387747944.db2.gz LSFHUFMLZDQGQQ-YFKPBYRVSA-N 0 0 206.028 2.148 10 0 BEAERN COc1c(C)ccc2c(N)nc(Cl)nc21 ZINC000575447871 387709972 /nfs/dbraw/zinc/70/99/72/387709972.db2.gz VZWULVCQVUCDIS-UHFFFAOYSA-N 0 0 223.663 2.013 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H]1CCCS1 ZINC000306818812 387711105 /nfs/dbraw/zinc/71/11/05/387711105.db2.gz FTXYHRHBBRKTSG-RKDXNWHRSA-N 0 0 201.335 2.043 10 0 BEAERN CSCC(=O)Nc1cccc(-c2nnco2)c1 ZINC000045751942 387722800 /nfs/dbraw/zinc/72/28/00/387722800.db2.gz CHUCWUOKPZNOME-UHFFFAOYSA-N 0 0 249.295 2.038 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cn[nH]c2)o1 ZINC000038005507 387734595 /nfs/dbraw/zinc/73/45/95/387734595.db2.gz WNGQGNUGMWCONI-SECBINFHSA-N 0 0 205.261 2.162 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000046218183 387742430 /nfs/dbraw/zinc/74/24/30/387742430.db2.gz UKOYICLDYAQKSX-DCAQKATOSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1cc2nc(C(N)=O)sc2c(C)c1 ZINC000045236156 177888208 /nfs/dbraw/zinc/88/82/08/177888208.db2.gz LISAKXAZTVUYDI-UHFFFAOYSA-N 0 0 206.270 2.012 10 0 BEAERN C[C@@H](O)CCNC(=O)CC1CCCCCC1 ZINC000129579313 387774410 /nfs/dbraw/zinc/77/44/10/387774410.db2.gz JDQKDZSHLWWUJJ-LLVKDONJSA-N 0 0 227.348 2.234 10 0 BEAERN C[C@H](Nc1ncncc1Cl)[C@@H]1CCCO1 ZINC000163584398 387776681 /nfs/dbraw/zinc/77/66/81/387776681.db2.gz LPGZZEWYFNXGQD-CBAPKCEASA-N 0 0 227.695 2.109 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000133606681 177895001 /nfs/dbraw/zinc/89/50/01/177895001.db2.gz SCNRIRFJYPDGHY-VXGBXAGGSA-N 0 0 235.327 2.050 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1ncncc1Cl ZINC000163606170 387798986 /nfs/dbraw/zinc/79/89/86/387798986.db2.gz HHUNSCSWKZKLSL-BDAKNGLRSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1ccc(N)c(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575637581 387832145 /nfs/dbraw/zinc/83/21/45/387832145.db2.gz GBHVPUNXCVEMCI-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1cc(N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575637716 387832429 /nfs/dbraw/zinc/83/24/29/387832429.db2.gz JFAYJWFCTSHCFJ-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)c(C)cc1N ZINC000575638727 387832764 /nfs/dbraw/zinc/83/27/64/387832764.db2.gz CDGGGKUBBGLLDN-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC(=O)c1c(C)ccc(N)c1C(F)(F)F ZINC000575638699 387832781 /nfs/dbraw/zinc/83/27/81/387832781.db2.gz BVEFGSJBDWVSSC-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCOc1ccc(OC(F)F)c(C#N)c1C=O ZINC000575638123 387832803 /nfs/dbraw/zinc/83/28/03/387832803.db2.gz DSPJTRSPSGCGFM-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)c1c(N)c(C)ccc1OC(F)(F)F ZINC000575638799 387833731 /nfs/dbraw/zinc/83/37/31/387833731.db2.gz CXOWOEQSGDYZBN-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN N#Cc1c(F)ccc(C=O)c1OC(F)F ZINC000575639070 387833858 /nfs/dbraw/zinc/83/38/58/387833858.db2.gz CVCDMLYKTTUGCS-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575638800 387834396 /nfs/dbraw/zinc/83/43/96/387834396.db2.gz ALOJXVRMWACKRZ-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1cc(CO)c(C#N)cc1OC(F)F ZINC000575639160 387836081 /nfs/dbraw/zinc/83/60/81/387836081.db2.gz PKILHMQEFCASGJ-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN N#Cc1cc(C=O)c(F)c(OC(F)F)c1 ZINC000575639128 387836186 /nfs/dbraw/zinc/83/61/86/387836186.db2.gz DCSSQKJJYPSYKB-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1ccc(F)c(C#N)c1OC(F)F ZINC000575639409 387836577 /nfs/dbraw/zinc/83/65/77/387836577.db2.gz HOAKMKZKLKPTHF-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)c1c(OC)ccc(N)c1C(F)(F)F ZINC000575639522 387836584 /nfs/dbraw/zinc/83/65/84/387836584.db2.gz HTHARHCBRWPFFW-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1ccc(C#N)c(C=O)c1OC(F)F ZINC000575640225 387838212 /nfs/dbraw/zinc/83/82/12/387838212.db2.gz XAPCRPBLFPKWRG-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(OC(F)F)c(F)cc1C#N ZINC000575640242 387838357 /nfs/dbraw/zinc/83/83/57/387838357.db2.gz MSDSPSOTNVQSQU-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1cc(OC(F)F)c(C)cc1C#N ZINC000575640243 387838655 /nfs/dbraw/zinc/83/86/55/387838655.db2.gz GXTBADLQTAJQCD-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCOc1c(C(F)F)ccc(C#N)c1CO ZINC000575640678 387839526 /nfs/dbraw/zinc/83/95/26/387839526.db2.gz IFPMJDGIIPZIQW-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)Cc1cc(N)c(C)cc1C(F)(F)F ZINC000575640662 387839544 /nfs/dbraw/zinc/83/95/44/387839544.db2.gz NRBPUVMFFLJXPV-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1ccc(CO)c(C(F)F)c1C#N ZINC000575640591 387839690 /nfs/dbraw/zinc/83/96/90/387839690.db2.gz HLLRFPYQGFJWCS-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1c(C#N)ccc(C)c1OC(F)F ZINC000575640406 387840056 /nfs/dbraw/zinc/84/00/56/387840056.db2.gz HYYOJWUMOBRYMK-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN Cc1c(C=O)cc(C#N)cc1OC(F)F ZINC000575641036 387840891 /nfs/dbraw/zinc/84/08/91/387840891.db2.gz MGUZVKRDPQDLCS-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CCc1c(C#N)cc(OC(F)F)cc1CO ZINC000575639755 387841075 /nfs/dbraw/zinc/84/10/75/387841075.db2.gz JLBMGZKSUWERBO-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN Cc1cc(C(=O)N(C)Cc2ccc(F)cc2)on1 ZINC000061052957 387842417 /nfs/dbraw/zinc/84/24/17/387842417.db2.gz PFDIFKWYNDHHSD-UHFFFAOYSA-N 0 0 248.257 2.394 10 0 BEAERN CCOc1c(C=O)cc(C#N)cc1CC ZINC000575642421 387842482 /nfs/dbraw/zinc/84/24/82/387842482.db2.gz CBBCUXYIGFCUCJ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1cc(F)c(C#N)c(OC(F)F)c1 ZINC000575641568 387842975 /nfs/dbraw/zinc/84/29/75/387842975.db2.gz WDILIYGOTKRVBT-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)Cc1c(C)c(N)ccc1C(F)(F)F ZINC000575641823 387843722 /nfs/dbraw/zinc/84/37/22/387843722.db2.gz XQASHOFFOLRZAN-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1ccc(C=O)c(C#N)c1CC ZINC000575642517 387844143 /nfs/dbraw/zinc/84/41/43/387844143.db2.gz CIUIMSZQQPIOGO-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C(F)F)c(C#N)cc1C(N)=O ZINC000575641835 387844596 /nfs/dbraw/zinc/84/45/96/387844596.db2.gz PXOZIFDDQZCLGZ-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COc1cc(C)c(C#N)cc1OC(F)F ZINC000575641783 387844735 /nfs/dbraw/zinc/84/47/35/387844735.db2.gz UYBDMVFPSKISMF-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COC(=O)Cc1c(N)c(C)ccc1C(F)(F)F ZINC000575641825 387844841 /nfs/dbraw/zinc/84/48/41/387844841.db2.gz XTMCUCMTCFZWDG-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1cc(C(C)=O)cc(F)c1C#N ZINC000575642687 387845509 /nfs/dbraw/zinc/84/55/09/387845509.db2.gz GUWLWTFMDYTJDM-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(CO)c(C(F)F)cc1C#N ZINC000575642204 387845762 /nfs/dbraw/zinc/84/57/62/387845762.db2.gz UMCRCXTWQYNCFJ-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(C#N)cc(CO)c1C(F)F ZINC000575642026 387845781 /nfs/dbraw/zinc/84/57/81/387845781.db2.gz RPAKEPSHMMHVLN-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1c(C#N)cc(CO)cc1C(F)F ZINC000575641267 387846863 /nfs/dbraw/zinc/84/68/63/387846863.db2.gz MPFBUAJYCXKIEJ-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCOc1cc(C(F)F)c(CO)cc1C#N ZINC000575641307 387847908 /nfs/dbraw/zinc/84/79/08/387847908.db2.gz NWUQXCFONWZXGQ-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CCCCNC(=O)C[C@@H](C)c1cccnc1 ZINC000062618056 387853875 /nfs/dbraw/zinc/85/38/75/387853875.db2.gz IXAYARVSLMHHIH-LLVKDONJSA-N 0 0 220.316 2.492 10 0 BEAERN CC(C)CC(=O)N1CCN[C@H](c2ccccc2)C1 ZINC000062622065 387853937 /nfs/dbraw/zinc/85/39/37/387853937.db2.gz GATBUJUYMMRZDX-AWEZNQCLSA-N 0 0 246.354 2.206 10 0 BEAERN COc1c(CO)ccc(C#N)c1C(F)(F)F ZINC000575645057 387874405 /nfs/dbraw/zinc/87/44/05/387874405.db2.gz AECMCJMCFLBNFV-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN COc1cc(C(F)(F)F)cc(C#N)c1C=O ZINC000575645679 387874513 /nfs/dbraw/zinc/87/45/13/387874513.db2.gz DNDFIALTYSXPAT-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCc1cc(C=O)c(C#N)cc1C(C)=O ZINC000575643492 387865236 /nfs/dbraw/zinc/86/52/36/387865236.db2.gz AAAUUKWWNPMRBA-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCOc1cc(CC)c(C=O)cc1C#N ZINC000575643172 387865896 /nfs/dbraw/zinc/86/58/96/387865896.db2.gz NOHXYXRATURTBI-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1ccc(C#N)c(CC)c1C=O ZINC000575643825 387868800 /nfs/dbraw/zinc/86/88/00/387868800.db2.gz UKUKYGVBKJIPEJ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Cc1c(C#N)ccc(CO)c1C(F)(F)F ZINC000575650646 387890214 /nfs/dbraw/zinc/89/02/14/387890214.db2.gz YIDCVCFBLPLZMR-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN COc1cc(C#N)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575650765 387891156 /nfs/dbraw/zinc/89/11/56/387891156.db2.gz SKIJKIZDYLDBAG-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN N#Cc1cc(C=O)c(F)cc1OC(F)(F)F ZINC000575648013 387891422 /nfs/dbraw/zinc/89/14/22/387891422.db2.gz PBJGEXWCVNGEPW-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCc1c(CO)ccc(F)c1OC(F)F ZINC000575653273 387894167 /nfs/dbraw/zinc/89/41/67/387894167.db2.gz DCQHZMHPZUAQSQ-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(OC(F)F)c(C=O)cc1O ZINC000575653278 387894661 /nfs/dbraw/zinc/89/46/61/387894661.db2.gz DHXZJKHEZYCQPJ-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(CO)c(F)cc1OC(F)F ZINC000575653443 387896311 /nfs/dbraw/zinc/89/63/11/387896311.db2.gz HLPFYCZZKODIKO-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(CO)cc(OC(F)F)c1O ZINC000575653362 387896363 /nfs/dbraw/zinc/89/63/63/387896363.db2.gz FWRPLVUHVSVPEL-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1c(C=O)cc(O)cc1OC(F)F ZINC000575654348 387897810 /nfs/dbraw/zinc/89/78/10/387897810.db2.gz ZQLVJWNJNAPIJX-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(CO)c(F)c(OC(F)F)c1 ZINC000575654159 387898045 /nfs/dbraw/zinc/89/80/45/387898045.db2.gz WDBNBHQLNVEBTI-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCOc1cc(C#N)cc(F)c1OCC ZINC000575645610 387875566 /nfs/dbraw/zinc/87/55/66/387875566.db2.gz ALBUZHWFLQTQBE-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCc1c(C#N)cc([N+](=O)[O-])cc1OC ZINC000575645137 387875780 /nfs/dbraw/zinc/87/57/80/387875780.db2.gz CYJAVVIPPRNMFF-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1cc(C)c(OCCn2cccn2)c(N)c1 ZINC000050226221 177869125 /nfs/dbraw/zinc/86/91/25/177869125.db2.gz CLRSLHHSURBWLY-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN COc1c(C#N)cc(OC(F)(F)F)cc1C=O ZINC000575645813 387876540 /nfs/dbraw/zinc/87/65/40/387876540.db2.gz DSRJSHBYSOSLFI-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN Cc1c(N)cccc1NC(=O)CCOCC1CC1 ZINC000019870604 387877060 /nfs/dbraw/zinc/87/70/60/387877060.db2.gz GBUOULUNVMNXFK-UHFFFAOYSA-N 0 0 248.326 2.332 10 0 BEAERN CCc1ccc([N+](=O)[O-])c(C#N)c1OC ZINC000575646067 387877829 /nfs/dbraw/zinc/87/78/29/387877829.db2.gz HDCUXZGMYHTZCY-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1cc(C(C)=O)c(C#N)c([N+](=O)[O-])c1 ZINC000575646348 387880256 /nfs/dbraw/zinc/88/02/56/387880256.db2.gz HYMMLAISGMZKPW-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1c(OC)ccc(C#N)c1[N+](=O)[O-] ZINC000575647953 387880672 /nfs/dbraw/zinc/88/06/72/387880672.db2.gz OZTBSYOZXLQSQD-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1cc(C#N)c([N+](=O)[O-])c(C(C)=O)c1 ZINC000575646986 387880905 /nfs/dbraw/zinc/88/09/05/387880905.db2.gz KHKPWLKACWPJSI-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1cc(C#N)cc(C=O)c1C(C)=O ZINC000575646778 387882183 /nfs/dbraw/zinc/88/21/83/387882183.db2.gz PRQACSMSBHPDLU-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN N#Cc1cc(F)c(OC(F)(F)F)c(CO)c1 ZINC000575646546 387882382 /nfs/dbraw/zinc/88/23/82/387882382.db2.gz INPYUISPFDZPBZ-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1c(C#N)cc(C(C)=O)cc1OC ZINC000575647480 387882710 /nfs/dbraw/zinc/88/27/10/387882710.db2.gz SMBZJRJZLVANGK-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C#N)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575647519 387883685 /nfs/dbraw/zinc/88/36/85/387883685.db2.gz MCGSDTPZVNGIIS-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN N#CCc1cc(C=O)cc(C(F)(F)F)c1C#N ZINC000575647523 387884192 /nfs/dbraw/zinc/88/41/92/387884192.db2.gz LTDSFJWZHVWFBT-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCc1c(C#N)c(C(C)=O)ccc1OC ZINC000575648567 387884936 /nfs/dbraw/zinc/88/49/36/387884936.db2.gz UXJFBWJHOGQRCG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1ccc(C#N)c([N+](=O)[O-])c1OCC ZINC000575648800 387885029 /nfs/dbraw/zinc/88/50/29/387885029.db2.gz JLEIYMFZWCHWOI-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CCc1cc([N+](=O)[O-])c(OC)cc1C#N ZINC000575648882 387885537 /nfs/dbraw/zinc/88/55/37/387885537.db2.gz QPTKNZLZUCSQLB-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCOc1cc(C(C)=O)c(OC)cc1C#N ZINC000575651033 387885674 /nfs/dbraw/zinc/88/56/74/387885674.db2.gz ZHXJACSLXQBOEM-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN N#Cc1c(F)cc(OC(F)(F)F)cc1CO ZINC000575649046 387886223 /nfs/dbraw/zinc/88/62/23/387886223.db2.gz SRXMPXZQXZCHCM-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN COc1cc(C=O)cc(OC(F)(F)F)c1C#N ZINC000575649705 387887525 /nfs/dbraw/zinc/88/75/25/387887525.db2.gz RFDOVIIVJMYAEB-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN Cc1cc(C#N)c(CO)cc1C(F)(F)F ZINC000575649584 387887591 /nfs/dbraw/zinc/88/75/91/387887591.db2.gz SKUGRNAUEHXTKQ-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN COc1cc(C(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575649887 387888508 /nfs/dbraw/zinc/88/85/08/387888508.db2.gz QPCAOXOHBFQRLY-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN N#Cc1ccc(CO)c(F)c1C(F)(F)F ZINC000575649738 387888583 /nfs/dbraw/zinc/88/85/83/387888583.db2.gz SSGWJJMODYFQHO-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN OCCCN1CCCC[C@H]1c1nccs1 ZINC000195440045 387916503 /nfs/dbraw/zinc/91/65/03/387916503.db2.gz ZOGLGWXCOFQGMS-JTQLQIEISA-N 0 0 226.345 2.053 10 0 BEAERN CC(C)[C@@H](Nc1ccc(Cl)cc1)C(N)=O ZINC000041041992 387933269 /nfs/dbraw/zinc/93/32/69/387933269.db2.gz JPBWJJYTZUGJQV-SNVBAGLBSA-N 0 0 226.707 2.262 10 0 BEAERN CCCCCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195328310 387919981 /nfs/dbraw/zinc/91/99/81/387919981.db2.gz URLFXHAOXNCPAG-CYBMUJFWSA-N 0 0 238.375 2.263 10 0 BEAERN CC(C)(C)NC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000645869426 387937010 /nfs/dbraw/zinc/93/70/10/387937010.db2.gz DCKRUEZEHIRFEY-IVZWLZJFSA-N 0 0 210.321 2.273 10 0 BEAERN CCn1ccnc1CSc1nnc(C2CC2)[nH]1 ZINC000195517332 387921642 /nfs/dbraw/zinc/92/16/42/387921642.db2.gz VHXYLAAPFDNHTK-UHFFFAOYSA-N 0 0 249.343 2.191 10 0 BEAERN CC(C)=CCN1CCO[C@@H](c2nccs2)C1 ZINC000195521533 387922084 /nfs/dbraw/zinc/92/20/84/387922084.db2.gz ZHZZCAMGQICVGY-LLVKDONJSA-N 0 0 238.356 2.483 10 0 BEAERN CC(C)CC(=O)NCCc1ccsc1 ZINC000040509563 387937887 /nfs/dbraw/zinc/93/78/87/387937887.db2.gz CSZPESFZZAHXOU-UHFFFAOYSA-N 0 0 211.330 2.453 10 0 BEAERN O=C1OCCOc2c3ccc(Cl)cc3ncc21 ZINC000053994760 387976356 /nfs/dbraw/zinc/97/63/56/387976356.db2.gz WLKLSTMFUAGCJH-UHFFFAOYSA-N 0 0 249.653 2.437 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000245950441 387995203 /nfs/dbraw/zinc/99/52/03/387995203.db2.gz AUDLYZNIOXZQSH-SCVCMEIPSA-N 0 0 237.299 2.333 10 0 BEAERN C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245971974 387998026 /nfs/dbraw/zinc/99/80/26/387998026.db2.gz FRWJBNCCTCWJCI-WZRBSPASSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245975614 387999386 /nfs/dbraw/zinc/99/93/86/387999386.db2.gz GCWNIJCJDYMBAJ-FOGDFJRCSA-N 0 0 237.299 2.367 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H](C)C2)O1 ZINC000246016015 388002562 /nfs/dbraw/zinc/00/25/62/388002562.db2.gz LTKBXJVEMGAJMW-FVCCEPFGSA-N 0 0 239.359 2.496 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246053098 388003875 /nfs/dbraw/zinc/00/38/75/388003875.db2.gz UUMVNVKZVSMJCE-FBIMIBRVSA-N 0 0 241.306 2.180 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000246040247 388004470 /nfs/dbraw/zinc/00/44/70/388004470.db2.gz OUUQKUILBTYTCR-IJLUTSLNSA-N 0 0 225.332 2.345 10 0 BEAERN CSCC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000046105717 388007097 /nfs/dbraw/zinc/00/70/97/388007097.db2.gz DZFGKLHBXCRTLG-UHFFFAOYSA-N 0 0 247.323 2.174 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2C)O1 ZINC000246115726 388010321 /nfs/dbraw/zinc/01/03/21/388010321.db2.gz YBALKZHOZXABBD-WISYIIOYSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CC=CCC1 ZINC000246194794 388018860 /nfs/dbraw/zinc/01/88/60/388018860.db2.gz JXINJROPYAHUJM-MXWKQRLJSA-N 0 0 208.305 2.050 10 0 BEAERN C[C@@H](Nc1ccc2nccnc2n1)[C@@H]1CCCO1 ZINC000083419954 388051960 /nfs/dbraw/zinc/05/19/60/388051960.db2.gz LKSIJQPPXRRGOS-KOLCDFICSA-N 0 0 244.298 2.004 10 0 BEAERN CC(C)c1nsc(NC2CCC(O)CC2)n1 ZINC000083652071 388057580 /nfs/dbraw/zinc/05/75/80/388057580.db2.gz ZHWPYWDDEHIKFB-UHFFFAOYSA-N 0 0 241.360 2.377 10 0 BEAERN C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H]1CCCO1 ZINC000084084770 388070146 /nfs/dbraw/zinc/07/01/46/388070146.db2.gz FSXCKJDYDANUGC-BXKDBHETSA-N 0 0 240.734 2.392 10 0 BEAERN CC[C@@H](NC(=O)CCSC)C(C)C ZINC000336657990 388073210 /nfs/dbraw/zinc/07/32/10/388073210.db2.gz ROLDZRBBGAZKFL-SECBINFHSA-N 0 0 203.351 2.290 10 0 BEAERN CCn1c(C)nnc1CN(C)[C@@H](C)c1ccco1 ZINC000195117881 388097068 /nfs/dbraw/zinc/09/70/68/388097068.db2.gz PITHOGAZLHBVIW-JTQLQIEISA-N 0 0 248.330 2.392 10 0 BEAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(F)(F)F ZINC000086930609 388110765 /nfs/dbraw/zinc/11/07/65/388110765.db2.gz HDMQXWFULGEORO-VHSXEESVSA-N 0 0 236.281 2.107 10 0 BEAERN CC[C@](O)(c1cccs1)[C@@H]1CCOC1 ZINC000306667681 388112571 /nfs/dbraw/zinc/11/25/71/388112571.db2.gz JQOQYJJTBKQDTO-MWLCHTKSSA-N 0 0 212.314 2.382 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000171654461 388130971 /nfs/dbraw/zinc/13/09/71/388130971.db2.gz JSDYLHUCGXIPNP-VIFPVBQESA-N 0 0 210.302 2.217 10 0 BEAERN Fc1cc([C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000082969581 388137413 /nfs/dbraw/zinc/13/74/13/388137413.db2.gz MTPZMIBDMOCQOH-JTQLQIEISA-N 0 0 215.655 2.140 10 0 BEAERN CC[S@](=N)(=O)c1nc2ccccc2o1 ZINC000521399855 256516705 /nfs/dbraw/zinc/51/67/05/256516705.db2.gz UMMPDVJLSRCOMI-AWEZNQCLSA-N 0 0 210.258 2.253 10 0 BEAERN Cc1ccncc1N[C@H](C)[C@@H]1CCOC1 ZINC000162946092 388254864 /nfs/dbraw/zinc/25/48/64/388254864.db2.gz VMXLNZHIMYDRKN-GHMZBOCLSA-N 0 0 206.289 2.227 10 0 BEAERN CC(F)(F)C1(c2csc(N)n2)CC1 ZINC000575524594 388358998 /nfs/dbraw/zinc/35/89/98/388358998.db2.gz FSSZTOIWMSCTND-UHFFFAOYSA-N 0 0 204.245 2.242 10 0 BEAERN CONC(=O)Nc1ccsc1Cl ZINC000307199690 388389343 /nfs/dbraw/zinc/38/93/43/388389343.db2.gz BORDMAGRKBSODU-UHFFFAOYSA-N 0 0 206.654 2.084 10 0 BEAERN CC(C)CC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175757302 388440243 /nfs/dbraw/zinc/44/02/43/388440243.db2.gz WXXIYTYEQNZPLE-SNVBAGLBSA-N 0 0 243.347 2.221 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@H]1CCCO)C(C)(F)F ZINC000336899021 388441926 /nfs/dbraw/zinc/44/19/26/388441926.db2.gz QXQZVYDILBGGCZ-UWVGGRQHSA-N 0 0 249.301 2.041 10 0 BEAERN CCc1cc(CC)nc(N[C@@H](C)C(C)C)n1 ZINC000393837720 388444058 /nfs/dbraw/zinc/44/40/58/388444058.db2.gz NQJWEZPHYJWFEB-JTQLQIEISA-N 0 0 221.348 2.480 10 0 BEAERN C[C@H]1C[C@H](O)CN(Cc2ccc(F)cc2F)C1 ZINC000334745957 388447629 /nfs/dbraw/zinc/44/76/29/388447629.db2.gz LQJOXAADHZQOJF-CABZTGNLSA-N 0 0 241.281 2.168 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](O)C2)c(C)c1 ZINC000335083062 388448493 /nfs/dbraw/zinc/44/84/93/388448493.db2.gz KRPGUUOWNAAGSB-DGCLKSJQSA-N 0 0 247.338 2.146 10 0 BEAERN Cc1cc(CC(=O)N[C@@H](C)c2cccs2)n[nH]1 ZINC000176171671 388450815 /nfs/dbraw/zinc/45/08/15/388450815.db2.gz VSIVVIFBDVFTHG-VIFPVBQESA-N 0 0 249.339 2.200 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCc2occc21 ZINC000170808325 388466864 /nfs/dbraw/zinc/46/68/64/388466864.db2.gz NSKWWPHUNPCKSH-IEBDPFPHSA-N 0 0 234.299 2.365 10 0 BEAERN C[C@H](NC(N)=O)c1ccc(F)c(Cl)c1 ZINC000194033971 388474883 /nfs/dbraw/zinc/47/48/83/388474883.db2.gz YWKJJUIXDSIQTF-YFKPBYRVSA-N 0 0 216.643 2.208 10 0 BEAERN C[C@@H](Nc1ccnc2cccnc21)[C@H]1CCCO1 ZINC000338643514 388476091 /nfs/dbraw/zinc/47/60/91/388476091.db2.gz HPCIEAOIAHHZQL-ZWNOBZJWSA-N 0 0 243.310 2.031 10 0 BEAERN Cc1nnc([C@@H](C)NC(=O)OC(C)C)s1 ZINC000295231490 388410473 /nfs/dbraw/zinc/41/04/73/388410473.db2.gz ZCLJCYJFQATGTA-ZCFIWIBFSA-N 0 0 229.305 2.042 10 0 BEAERN Cc1nc(C)c(CN2[C@H](C)COC[C@@H]2C)s1 ZINC000172833179 388411967 /nfs/dbraw/zinc/41/19/67/388411967.db2.gz ALWBHQFTMPPGAP-DTORHVGOSA-N 0 0 240.372 2.369 10 0 BEAERN CCn1nc(Cl)c2ccccc2c1=O ZINC000142136887 388412720 /nfs/dbraw/zinc/41/27/20/388412720.db2.gz PUHCEZOYSNPFEV-UHFFFAOYSA-N 0 0 208.648 2.070 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1CC2(CCC2)C1 ZINC000648826636 388415423 /nfs/dbraw/zinc/41/54/23/388415423.db2.gz CRYVNVDBYRFHNJ-LLVKDONJSA-N 0 0 239.359 2.090 10 0 BEAERN CCc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000296290855 388420450 /nfs/dbraw/zinc/42/04/50/388420450.db2.gz ZHACVPDRQJJLAH-SMDDNHRTSA-N 0 0 247.338 2.234 10 0 BEAERN CC(=O)c1c[nH]c(-c2ccc(F)cc2)n1 ZINC000041212465 388433972 /nfs/dbraw/zinc/43/39/72/388433972.db2.gz ILHDCWKJCGYTSR-UHFFFAOYSA-N 0 0 204.204 2.418 10 0 BEAERN CC(=O)c1c(C)[nH]c(-c2nc(C)no2)c1C ZINC000070458836 388436781 /nfs/dbraw/zinc/43/67/81/388436781.db2.gz OGNMLPXSQOAWGU-UHFFFAOYSA-N 0 0 219.244 2.193 10 0 BEAERN CCC[C@H](C(=O)NCc1ccsc1)[NH+](C)C ZINC000178648570 388503081 /nfs/dbraw/zinc/50/30/81/388503081.db2.gz JKZBFKPTJRZXOU-LLVKDONJSA-N 0 0 240.372 2.095 10 0 BEAERN C[C@H](O)CC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000344997290 388510109 /nfs/dbraw/zinc/51/01/09/388510109.db2.gz VYYNFRZQQCCAOT-SRVKXCTJSA-N 0 0 241.375 2.336 10 0 BEAERN C=Cc1ccnc2c(N)cc(OC)c(OC)c12 ZINC000082296748 388586799 /nfs/dbraw/zinc/58/67/99/388586799.db2.gz KIDGSWIRDZKSJK-UHFFFAOYSA-N 0 0 230.267 2.477 10 0 BEAERN CO[C@@H]1CN(C(=O)N[C@@H](C)C(C)C)CC[C@H]1C ZINC000187256702 388607581 /nfs/dbraw/zinc/60/75/81/388607581.db2.gz CFCVDNHBIFFXHE-GRYCIOLGSA-N 0 0 242.363 2.097 10 0 BEAERN CCOC(=O)c1ncc(C(F)(F)F)cc1OC ZINC000575397467 388615456 /nfs/dbraw/zinc/61/54/56/388615456.db2.gz QZAWEQIJTVRUMR-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C)C(C)(C)O ZINC000358575228 388554710 /nfs/dbraw/zinc/55/47/10/388554710.db2.gz DSQNSFZTYILGHM-MXWKQRLJSA-N 0 0 227.348 2.088 10 0 BEAERN C[C@H]1CN(C)C(=O)N([C@@H]2C=CCCC2)C1 ZINC000222194694 388584150 /nfs/dbraw/zinc/58/41/50/388584150.db2.gz QYAAMAJOFNKYLZ-WDEREUQCSA-N 0 0 208.305 2.099 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)N2[C@@H](C)COC[C@@H]2C)C1 ZINC000247537731 388665869 /nfs/dbraw/zinc/66/58/69/388665869.db2.gz JUVQRYHGWYGBLZ-VOAKCMCISA-N 0 0 239.359 2.449 10 0 BEAERN CSCCCCNC(=O)C1CCC1 ZINC000125731617 388675995 /nfs/dbraw/zinc/67/59/95/388675995.db2.gz BWUIQSQFJNIWDN-UHFFFAOYSA-N 0 0 201.335 2.046 10 0 BEAERN CN(C)c1ncc(NC(=O)CCC2CCC2)cn1 ZINC000125827079 388678210 /nfs/dbraw/zinc/67/82/10/388678210.db2.gz XUPCAXOGYJYADD-UHFFFAOYSA-N 0 0 248.330 2.061 10 0 BEAERN O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1CC=CCC1 ZINC000225653839 388682867 /nfs/dbraw/zinc/68/28/67/388682867.db2.gz NLXXWXDSJJLEGU-FRRDWIJNSA-N 0 0 237.343 2.010 10 0 BEAERN C[C@H](O)c1cnc(N2CCC[C@H]2C)s1 ZINC000252140957 388623209 /nfs/dbraw/zinc/62/32/09/388623209.db2.gz MGPIKTJTPCVZEN-SFYZADRCSA-N 0 0 212.318 2.185 10 0 BEAERN Fc1ccc(-n2nccc2-c2cncnc2)cc1 ZINC000575442107 388634522 /nfs/dbraw/zinc/63/45/22/388634522.db2.gz IDVVWOAJNQCPGT-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC(F)(F)CC1 ZINC000405095205 388637314 /nfs/dbraw/zinc/63/73/14/388637314.db2.gz QJVNPWBYWAYUHR-ILWJIGKKSA-N 0 0 229.270 2.290 10 0 BEAERN Cc1cccc(CNC(=O)N(C)[C@H](C)C2CC2)n1 ZINC000123892496 388658889 /nfs/dbraw/zinc/65/88/89/388658889.db2.gz QWVADUBOIMIVKB-LLVKDONJSA-N 0 0 247.342 2.330 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000247383584 388663339 /nfs/dbraw/zinc/66/33/39/388663339.db2.gz FUNNHEPLFAPNPF-NOOOWODRSA-N 0 0 222.332 2.369 10 0 BEAERN Clc1nnc(-c2ccns2)s1 ZINC000575450885 388736899 /nfs/dbraw/zinc/73/68/99/388736899.db2.gz DMZAPNQDJZWBAK-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN COC1CC(c2nnc(Br)s2)C1 ZINC000575451525 388743998 /nfs/dbraw/zinc/74/39/98/388743998.db2.gz KXVNFHKBPUZHOD-UHFFFAOYSA-N 0 0 249.133 2.193 10 0 BEAERN N#CNc1cc(Cl)cnc1Br ZINC000575451452 388744101 /nfs/dbraw/zinc/74/41/01/388744101.db2.gz AVLZPSMNGFDXDL-UHFFFAOYSA-N 0 0 232.468 2.390 10 0 BEAERN COCc1cc(Br)c(C=O)s1 ZINC000575453913 388754488 /nfs/dbraw/zinc/75/44/88/388754488.db2.gz IOFLXAUJUYETQJ-UHFFFAOYSA-N 0 0 235.102 2.470 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)O1 ZINC000248631830 388686827 /nfs/dbraw/zinc/68/68/27/388686827.db2.gz WRKIVMYXBSORSV-ZOLYEBIHSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(Cc2nnc(C3CC3)n2C)C1 ZINC000195008830 388692527 /nfs/dbraw/zinc/69/25/27/388692527.db2.gz YXZFHDMIDZDUGR-GHMZBOCLSA-N 0 0 248.374 2.170 10 0 BEAERN CCN(CC(C)C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000194130956 388724066 /nfs/dbraw/zinc/72/40/66/388724066.db2.gz QFJZXJPKPIZYOV-NWDGAFQWSA-N 0 0 242.363 2.241 10 0 BEAERN CCCn1nccc1NC(=O)c1cncc(F)c1 ZINC000127698556 388729918 /nfs/dbraw/zinc/72/99/18/388729918.db2.gz NXTBILRTLUYXLH-UHFFFAOYSA-N 0 0 248.261 2.080 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000249752888 388732625 /nfs/dbraw/zinc/73/26/25/388732625.db2.gz BNQGJOOGBAGGIY-FIQHERPVSA-N 0 0 242.363 2.288 10 0 BEAERN CC(C)c1ocnc1-c1nc([C@H]2CCOC2)no1 ZINC000096164839 388810707 /nfs/dbraw/zinc/81/07/07/388810707.db2.gz KILRVLUSBJXFRQ-QMMMGPOBSA-N 0 0 249.270 2.352 10 0 BEAERN CCCc1cc(NC(=O)[C@H]2CC2(C)C)n[nH]1 ZINC000128478271 388763669 /nfs/dbraw/zinc/76/36/69/388763669.db2.gz RWLHFACGCXOWMU-SECBINFHSA-N 0 0 221.304 2.347 10 0 BEAERN CSCCCC(=O)N[C@H](C)C1CC1 ZINC000128483305 388764587 /nfs/dbraw/zinc/76/45/87/388764587.db2.gz UZKXNRVYTCGOPZ-MRVPVSSYSA-N 0 0 201.335 2.044 10 0 BEAERN [NH3+][C@H](C(=O)[O-])c1cc2cscc2s1 ZINC000575457740 388789763 /nfs/dbraw/zinc/78/97/63/388789763.db2.gz UZAACRSEGUHFSP-ZETCQYMHSA-N 0 0 213.283 2.047 10 0 BEAERN CN[C@@H](C(=O)OC)c1c(Cl)cccc1Cl ZINC000037458362 388843850 /nfs/dbraw/zinc/84/38/50/388843850.db2.gz KXNSULPGZWTCJJ-SECBINFHSA-N 0 0 248.109 2.427 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1c(O)cccc1F ZINC000649123118 388840644 /nfs/dbraw/zinc/84/06/44/388840644.db2.gz KSDRCHYXHIOHPL-IQJOONFLSA-N 0 0 249.285 2.450 10 0 BEAERN Cc1cc(-c2nc(N)nc(C3CC3)n2)ccc1F ZINC000104389003 177691718 /nfs/dbraw/zinc/69/17/18/177691718.db2.gz YCRCBVMXRWNTHX-UHFFFAOYSA-N 0 0 244.273 2.446 10 0 BEAERN Cn1ncc(NCC2CCC2)c1Br ZINC000575478325 388858062 /nfs/dbraw/zinc/85/80/62/388858062.db2.gz BHJFLWKZMFIUHU-UHFFFAOYSA-N 0 0 244.136 2.395 10 0 BEAERN CCC(F)(F)c1nc(Br)no1 ZINC000575470463 388846980 /nfs/dbraw/zinc/84/69/80/388846980.db2.gz MVLKSAUJYCDXGI-UHFFFAOYSA-N 0 0 227.008 2.334 10 0 BEAERN O[C@H]1CC[C@H]1Nc1ccccc1Br ZINC000575471061 388849276 /nfs/dbraw/zinc/84/92/76/388849276.db2.gz QVALRFCVYKYWAD-ZJUUUORDSA-N 0 0 242.116 2.384 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000153010147 388916158 /nfs/dbraw/zinc/91/61/58/388916158.db2.gz HBIDKWLSNNRCDI-QWRGUYRKSA-N 0 0 234.299 2.204 10 0 BEAERN C[C@H](NC(=O)c1cc(N)ccn1)c1ccsc1 ZINC000061373945 1172676737 /nfs/dbraw/zinc/67/67/37/1172676737.db2.gz OOPSVEXOILJMOT-QMMMGPOBSA-N 0 0 247.323 2.216 10 0 BEAERN CC(C)(C)Sc1nc(F)ncc1N ZINC000575496741 388976304 /nfs/dbraw/zinc/97/63/04/388976304.db2.gz PAULHXATSVXBBT-UHFFFAOYSA-N 0 0 201.270 2.089 10 0 BEAERN Cc1cnc(N[C@@H](C)[C@@H]2CCCO2)nc1C ZINC000270730374 389014148 /nfs/dbraw/zinc/01/41/48/389014148.db2.gz UGSWIYZDIVBCJV-QWRGUYRKSA-N 0 0 221.304 2.073 10 0 BEAERN O=C1CCN(c2c(F)cccc2F)CC1 ZINC000020476391 132331816 /nfs/dbraw/zinc/33/18/16/132331816.db2.gz VNKNABVNGYMUOI-UHFFFAOYSA-N 0 0 211.211 2.134 10 0 BEAERN Nc1ccc2c(c1)N(C(=O)C1CC1)CCS2 ZINC000038051217 132346158 /nfs/dbraw/zinc/34/61/58/132346158.db2.gz OBHQCFIVDDNLOC-UHFFFAOYSA-N 0 0 234.324 2.118 10 0 BEAERN Cc1cc(N)cnc1N1CCCC[C@H]1C ZINC000052812164 132362474 /nfs/dbraw/zinc/36/24/74/132362474.db2.gz VSWRTRKQBZMFDP-SNVBAGLBSA-N 0 0 205.305 2.351 10 0 BEAERN COc1c(Cl)ncnc1C(=O)OC(C)(C)C ZINC000400578058 533427385 /nfs/dbraw/zinc/42/73/85/533427385.db2.gz XZCHEIAVXHPBRT-UHFFFAOYSA-N 0 0 244.678 2.094 10 0 BEAERN Nc1cccc2c1CCCN2C[C@H]1CCOC1 ZINC000041079543 132223828 /nfs/dbraw/zinc/22/38/28/132223828.db2.gz SNWMNHWYUBQQNK-LLVKDONJSA-N 0 0 232.327 2.058 10 0 BEAERN CC(C)OCCN1CCCc2c(N)cccc21 ZINC000049260897 132227815 /nfs/dbraw/zinc/22/78/15/132227815.db2.gz XOQDDXXAJKIJQZ-UHFFFAOYSA-N 0 0 234.343 2.446 10 0 BEAERN c1ccc2c(c1)CCCN2[C@H]1CCOC1 ZINC000336611948 132249313 /nfs/dbraw/zinc/24/93/13/132249313.db2.gz FMUWXNDABPTAHB-LBPRGKRZSA-N 0 0 203.285 2.228 10 0 BEAERN CCc1nc(C(C)C)cc(N2CCC(=O)CC2)n1 ZINC000045951239 132299359 /nfs/dbraw/zinc/29/93/59/132299359.db2.gz IVWLLPTWBSNPSH-UHFFFAOYSA-N 0 0 247.342 2.332 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ccc(C(N)=S)cn2)C1 ZINC000019805761 132327623 /nfs/dbraw/zinc/32/76/23/132327623.db2.gz QBVYFLSXRRMJES-UWVGGRQHSA-N 0 0 249.383 2.198 10 0 BEAERN C[C@H]1C[C@H]1C(=O)N1CCCc2cc(N)ccc21 ZINC000019874398 132328572 /nfs/dbraw/zinc/32/85/72/132328572.db2.gz ASJFCUKZTAHAOV-JOYOIKCWSA-N 0 0 230.311 2.204 10 0 BEAERN C[C@@H]1CCCN(c2ncnc(Cl)c2C=O)C1 ZINC000019945805 132328876 /nfs/dbraw/zinc/32/88/76/132328876.db2.gz ZLIPRVMNIVTWLL-MRVPVSSYSA-N 0 0 239.706 2.179 10 0 BEAERN CC[C@@H]1CCCCN1c1ccc(N)nc1 ZINC000019952642 132329112 /nfs/dbraw/zinc/32/91/12/132329112.db2.gz QOMXYEBAGOFPCR-SNVBAGLBSA-N 0 0 205.305 2.433 10 0 BEAERN OCc1c(Cl)cccc1N1CCSCC1 ZINC000034956848 132337262 /nfs/dbraw/zinc/33/72/62/132337262.db2.gz URQSWHWURYREQN-UHFFFAOYSA-N 0 0 243.759 2.386 10 0 BEAERN CC(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000034938128 132337406 /nfs/dbraw/zinc/33/74/06/132337406.db2.gz GTJQQHXVUUSXHH-UHFFFAOYSA-N 0 0 217.268 2.406 10 0 BEAERN Clc1cc(N2CCOCC2)cc(Cl)n1 ZINC000035940344 132340044 /nfs/dbraw/zinc/34/00/44/132340044.db2.gz AKXNTPCICNNILS-UHFFFAOYSA-N 0 0 233.098 2.225 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1cccc(N)c1 ZINC000036131706 132340130 /nfs/dbraw/zinc/34/01/30/132340130.db2.gz LCJAIWZLEKDHLA-JQWIXIFHSA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@H]1CCCN(c2cc(C(N)=S)ccn2)C1 ZINC000036170033 132340315 /nfs/dbraw/zinc/34/03/15/132340315.db2.gz WIGIQVXQHVVYHE-JTQLQIEISA-N 0 0 249.383 2.342 10 0 BEAERN CC[C@H]1COCCN1c1ccc(F)cc1N ZINC000036322786 132342175 /nfs/dbraw/zinc/34/21/75/132342175.db2.gz UPLRVFUUAXIUMS-JTQLQIEISA-N 0 0 224.279 2.023 10 0 BEAERN Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000037503958 132344755 /nfs/dbraw/zinc/34/47/55/132344755.db2.gz INWDICMYUFQTBQ-UHFFFAOYSA-N 0 0 244.216 2.110 10 0 BEAERN CC(=O)N1CCC(=O)c2ccc(Cl)cc21 ZINC000037625972 132345031 /nfs/dbraw/zinc/34/50/31/132345031.db2.gz PGZMRSJKBQFUIY-UHFFFAOYSA-N 0 0 223.659 2.279 10 0 BEAERN Nc1cccc2c1CCCN2Cc1cnccn1 ZINC000037906086 132345514 /nfs/dbraw/zinc/34/55/14/132345514.db2.gz JQCIXUQBUQAYAE-UHFFFAOYSA-N 0 0 240.310 2.012 10 0 BEAERN C[C@H]1CN(c2c(F)cc(N)cc2F)C[C@H](C)O1 ZINC000038039795 132345778 /nfs/dbraw/zinc/34/57/78/132345778.db2.gz IPLRGOYGWSHSRE-YUMQZZPRSA-N 0 0 242.269 2.161 10 0 BEAERN O=C1CCN(C2CC2)C(=O)N1c1cccc(F)c1 ZINC000038076530 132345990 /nfs/dbraw/zinc/34/59/90/132345990.db2.gz IJJUQOFNPQXFIF-UHFFFAOYSA-N 0 0 248.257 2.147 10 0 BEAERN COc1ccc2c(c1)N(C)C(=S)CC2 ZINC000039124971 132346611 /nfs/dbraw/zinc/34/66/11/132346611.db2.gz DZKWIPRTLSWTCL-UHFFFAOYSA-N 0 0 207.298 2.405 10 0 BEAERN Nc1cc(Cl)ccc1N1CCCOC1=O ZINC000041054527 132349175 /nfs/dbraw/zinc/34/91/75/132349175.db2.gz LBYBBVYUOMOVQM-UHFFFAOYSA-N 0 0 226.663 2.269 10 0 BEAERN O=C1CCN(c2ccc(N3CCCC3)cc2)CC1 ZINC000041291061 132349918 /nfs/dbraw/zinc/34/99/18/132349918.db2.gz DNGWKGUSMZBHAI-UHFFFAOYSA-N 0 0 244.338 2.456 10 0 BEAERN CN1C(=S)COc2cccc(Cl)c21 ZINC000039124822 132350504 /nfs/dbraw/zinc/35/05/04/132350504.db2.gz GTTSZEJSWUHXNF-UHFFFAOYSA-N 0 0 213.689 2.496 10 0 BEAERN Cc1ccc2c(c1)N1CCCC[C@@H]1C(=O)N2 ZINC000043016095 132352919 /nfs/dbraw/zinc/35/29/19/132352919.db2.gz OFRGWIYIDHMBQQ-LLVKDONJSA-N 0 0 216.284 2.306 10 0 BEAERN COc1ccc(OC)c(N2CCC(=O)C[C@H]2C)c1 ZINC000049707720 132357021 /nfs/dbraw/zinc/35/70/21/132357021.db2.gz DNZABCYUMPOKGD-SNVBAGLBSA-N 0 0 249.310 2.262 10 0 BEAERN COCc1cccc(N2CCC(=O)C[C@@H]2C)c1 ZINC000049713774 132357928 /nfs/dbraw/zinc/35/79/28/132357928.db2.gz BEYCXBYWMQOBMC-NSHDSACASA-N 0 0 233.311 2.391 10 0 BEAERN O=Cc1ccc(N2CC(=O)Nc3ccccc32)o1 ZINC000050544114 132358929 /nfs/dbraw/zinc/35/89/29/132358929.db2.gz ZLYPMTXHUIVSLN-UHFFFAOYSA-N 0 0 242.234 2.182 10 0 BEAERN CNc1nc(N2CCCCC2)nc2c1CCCC2 ZINC000050852217 132359475 /nfs/dbraw/zinc/35/94/75/132359475.db2.gz XJSHCMBRTOMKKR-UHFFFAOYSA-N 0 0 246.358 2.387 10 0 BEAERN Nc1ccc2c(c1)N(C(=O)C1CCC1)CCC2 ZINC000051296277 132359812 /nfs/dbraw/zinc/35/98/12/132359812.db2.gz TUTPHPQBAHFMSF-UHFFFAOYSA-N 0 0 230.311 2.348 10 0 BEAERN Cc1c[nH]nc1NC(=O)C[C@@H]1C=CCC1 ZINC000157177489 133482396 /nfs/dbraw/zinc/48/23/96/133482396.db2.gz QKASVFYVFXNAEA-SECBINFHSA-N 0 0 205.261 2.013 10 0 BEAERN Cn1cc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000335871516 133946343 /nfs/dbraw/zinc/94/63/43/133946343.db2.gz BXTBZDJVAPQQMQ-SCZZXKLOSA-N 0 0 238.718 2.303 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]32)ccc1O ZINC000335968054 134028994 /nfs/dbraw/zinc/02/89/94/134028994.db2.gz JJYYUPLQHQZSJQ-NWDGAFQWSA-N 0 0 231.295 2.325 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1occ2c1CCC2 ZINC000335974642 134030729 /nfs/dbraw/zinc/03/07/29/134030729.db2.gz ZEKAVKVXGAATLE-UWVGGRQHSA-N 0 0 249.310 2.018 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N1CCS[C@@H](C)C1 ZINC000352016506 134036905 /nfs/dbraw/zinc/03/69/05/134036905.db2.gz XREYJZPYQJIVEU-WDEREUQCSA-N 0 0 245.388 2.011 10 0 BEAERN C[C@@H]1C[C@@H](CNC(=O)NC2CCC2)C[C@H](C)O1 ZINC000335987796 134039450 /nfs/dbraw/zinc/03/94/50/134039450.db2.gz GRDWQKCHAJVKLN-JGPRNRPPSA-N 0 0 240.347 2.042 10 0 BEAERN Cc1ccnc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000335992260 134040741 /nfs/dbraw/zinc/04/07/41/134040741.db2.gz HJWHGGCXCQMHRJ-QWRGUYRKSA-N 0 0 231.299 2.406 10 0 BEAERN Cc1c(CN2CCNc3ccccc32)cnn1C ZINC000336021190 134055737 /nfs/dbraw/zinc/05/57/37/134055737.db2.gz CMAAPDZIFBYJIM-UHFFFAOYSA-N 0 0 242.326 2.161 10 0 BEAERN CC(C)[C@H]1N(C(=O)C(C)(C)C)C[C@@]12CCCO2 ZINC000336169520 134114414 /nfs/dbraw/zinc/11/44/14/134114414.db2.gz WDFXBOPFDSTBEC-RISCZKNCSA-N 0 0 239.359 2.449 10 0 BEAERN FC1(F)CCC[C@H]1C[NH+]1CCN(C2CC2)CC1 ZINC000336202012 134130910 /nfs/dbraw/zinc/13/09/10/134130910.db2.gz YWCSUECLYFRTAL-NSHDSACASA-N 0 0 244.329 2.202 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632879 134253032 /nfs/dbraw/zinc/25/30/32/134253032.db2.gz LFXXDYYWKDUOIA-KCJUWKMLSA-N 0 0 243.266 2.331 10 0 BEAERN Cc1nc([C@@H](C)NC(=O)c2ccncc2)cs1 ZINC000170497083 134254427 /nfs/dbraw/zinc/25/44/27/134254427.db2.gz LVUDEBYCTNYHEX-MRVPVSSYSA-N 0 0 247.323 2.338 10 0 BEAERN CCn1c(C)nnc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000174267651 134280080 /nfs/dbraw/zinc/28/00/80/134280080.db2.gz RVCQYFWHCJMPLP-UHFFFAOYSA-N 0 0 248.374 2.373 10 0 BEAERN C[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000175351337 134285580 /nfs/dbraw/zinc/28/55/80/134285580.db2.gz IHHNZZUQAMZZOU-SNVBAGLBSA-N 0 0 247.342 2.162 10 0 BEAERN COCCOCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000175679796 134286608 /nfs/dbraw/zinc/28/66/08/134286608.db2.gz PQNCSGCTHPLDPZ-LBPRGKRZSA-N 0 0 239.315 2.080 10 0 BEAERN CCN(CC(C)C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000178042002 134302744 /nfs/dbraw/zinc/30/27/44/134302744.db2.gz WOXRBLHWAKJGOX-MNOVXSKESA-N 0 0 213.321 2.058 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccco2)o1 ZINC000220877047 134316517 /nfs/dbraw/zinc/31/65/17/134316517.db2.gz PNZNJGXOPSJPQL-VIFPVBQESA-N 0 0 206.245 2.427 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCOC2)CC(C)(C)C1 ZINC000180533136 134329848 /nfs/dbraw/zinc/32/98/48/134329848.db2.gz LKVGATXFKNDEGY-IJLUTSLNSA-N 0 0 239.359 2.354 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000183051216 134350699 /nfs/dbraw/zinc/35/06/99/134350699.db2.gz IDZDCYZHUHOOIG-MWLCHTKSSA-N 0 0 235.283 2.207 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C1CCCCC1 ZINC000225655691 134356550 /nfs/dbraw/zinc/35/65/50/134356550.db2.gz WAKULWQOVKLBBQ-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCC1(CO)CCCC1 ZINC000226230614 134361608 /nfs/dbraw/zinc/36/16/08/134361608.db2.gz PYADWQGMJJSANW-RYUDHWBXSA-N 0 0 239.359 2.092 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)C(C)(C)C)o1 ZINC000226613586 134368026 /nfs/dbraw/zinc/36/80/26/134368026.db2.gz OKMKKQJVBVUSDH-MRVPVSSYSA-N 0 0 210.277 2.206 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2ccccc2)o1 ZINC000226616936 134368094 /nfs/dbraw/zinc/36/80/94/134368094.db2.gz QKPJFYUVSOLKLL-SNVBAGLBSA-N 0 0 230.267 2.474 10 0 BEAERN COCCC(C)(C)C(=O)N1CCS[C@@H](C)C1 ZINC000184696930 134368195 /nfs/dbraw/zinc/36/81/95/134368195.db2.gz PQOBLVVDXNIQCK-JTQLQIEISA-N 0 0 245.388 2.013 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nnc(C)c(C)n1 ZINC000229548486 134456925 /nfs/dbraw/zinc/45/69/25/134456925.db2.gz RIZBNDTVLACZJR-ZJUUUORDSA-N 0 0 206.293 2.089 10 0 BEAERN CC1(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000151322064 134465534 /nfs/dbraw/zinc/46/55/34/134465534.db2.gz WKZFDVFAFRDSOQ-SNVBAGLBSA-N 0 0 217.268 2.036 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCCc1ccc(O)cc1 ZINC000230175056 134486178 /nfs/dbraw/zinc/48/61/78/134486178.db2.gz NCGGJWZWTHZGKW-SMDDNHRTSA-N 0 0 247.338 2.487 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000230175040 134486258 /nfs/dbraw/zinc/48/62/58/134486258.db2.gz NCGGJWZWTHZGKW-RISCZKNCSA-N 0 0 247.338 2.487 10 0 BEAERN CCC(CC)(CO)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000230175508 134486345 /nfs/dbraw/zinc/48/63/45/134486345.db2.gz NTZZXQMSGMDVAR-RYUDHWBXSA-N 0 0 241.375 2.338 10 0 BEAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](C)C(C)C ZINC000188165867 134494348 /nfs/dbraw/zinc/49/43/48/134494348.db2.gz VJCSJRUHJRHXSV-NEPJUHHUSA-N 0 0 244.379 2.079 10 0 BEAERN Cc1cnc([C@@H](C)NCc2nc(C)c(C)o2)o1 ZINC000230645375 134515794 /nfs/dbraw/zinc/51/57/94/134515794.db2.gz VGXIHGOIXIREJK-SECBINFHSA-N 0 0 235.287 2.439 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2[C@H](C)C2(F)F)o1 ZINC000408231490 134524361 /nfs/dbraw/zinc/52/43/61/134524361.db2.gz IGJCRZUPWHSKPF-FXQIFTODSA-N 0 0 244.241 2.061 10 0 BEAERN CCOC[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000231527895 134540899 /nfs/dbraw/zinc/54/08/99/134540899.db2.gz MDSUMNITKHDLFO-SCZZXKLOSA-N 0 0 212.293 2.059 10 0 BEAERN COC(CNC(=O)C[C@@H](C)CC(C)(C)C)OC ZINC000061940411 1172718889 /nfs/dbraw/zinc/71/88/89/1172718889.db2.gz FGNZMWUIKRRVOY-SNVBAGLBSA-N 0 0 245.363 2.184 10 0 BEAERN Cc1cccnc1C(=O)Nc1ccccc1N ZINC000051790627 134686328 /nfs/dbraw/zinc/68/63/28/134686328.db2.gz UDXZEEUQWUGQGI-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCCO1 ZINC000155783841 134698716 /nfs/dbraw/zinc/69/87/16/134698716.db2.gz UIFFYGGVJNYXIG-RYUDHWBXSA-N 0 0 223.316 2.367 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000052299180 134700052 /nfs/dbraw/zinc/70/00/52/134700052.db2.gz NXWWNXHDDQUSFJ-PELKAZGASA-N 0 0 214.268 2.306 10 0 BEAERN C[C@]1(C(=O)Nc2cc(Cl)ccn2)CCCO1 ZINC000133150659 134743897 /nfs/dbraw/zinc/74/38/97/134743897.db2.gz UMYMWAMNGQPGTL-LLVKDONJSA-N 0 0 240.690 2.243 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)c1ccoc1 ZINC000194868909 134831710 /nfs/dbraw/zinc/83/17/10/134831710.db2.gz AMMKRQGLEOFYJV-NSHDSACASA-N 0 0 229.235 2.143 10 0 BEAERN Cc1cccc(NCc2nnnn2C(C)C)c1C ZINC000194981078 134832983 /nfs/dbraw/zinc/83/29/83/134832983.db2.gz UZPVCYYZJVHFCH-UHFFFAOYSA-N 0 0 245.330 2.483 10 0 BEAERN Cn1c(CNc2cccc(F)c2)nnc1C1CC1 ZINC000194981512 134833415 /nfs/dbraw/zinc/83/34/15/134833415.db2.gz KCKRPGPYHXMNKZ-UHFFFAOYSA-N 0 0 246.289 2.444 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CC23CCCCC3)O1 ZINC000245633793 134861928 /nfs/dbraw/zinc/86/19/28/134861928.db2.gz WFPJTYNPMLDZJP-WOPDTQHZSA-N 0 0 237.343 2.393 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246065917 134875685 /nfs/dbraw/zinc/87/56/85/134875685.db2.gz RPSAMAMEECTGHJ-VWYCJHECSA-N 0 0 213.321 2.249 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000246100718 134877148 /nfs/dbraw/zinc/87/71/48/134877148.db2.gz WJDDLJRYEYNMOR-XWLWVQCSSA-N 0 0 213.321 2.105 10 0 BEAERN C[C@H](c1ccco1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000246185626 134879920 /nfs/dbraw/zinc/87/99/20/134879920.db2.gz HQUGBOLITKXCMT-BBBLOLIVSA-N 0 0 222.288 2.390 10 0 BEAERN c1ccc2c(c1)OC[C@H]2Nc1cnccn1 ZINC000070191480 134910531 /nfs/dbraw/zinc/91/05/31/134910531.db2.gz WIJPEONQNRIOHC-SNVBAGLBSA-N 0 0 213.240 2.022 10 0 BEAERN Nc1cnc(C(F)(F)F)nc1C(F)(F)F ZINC000075461511 134955054 /nfs/dbraw/zinc/95/50/54/134955054.db2.gz QSNHYMBVVXMEKH-UHFFFAOYSA-N 0 0 231.099 2.096 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000248397475 135004498 /nfs/dbraw/zinc/00/44/98/135004498.db2.gz RUIHJUYRLXHVTR-QJPTWQEYSA-N 0 0 227.348 2.352 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000248807564 135021444 /nfs/dbraw/zinc/02/14/44/135021444.db2.gz BOCXACXCZGFZOF-XQHKEYJVSA-N 0 0 239.359 2.306 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000248818872 135022833 /nfs/dbraw/zinc/02/28/33/135022833.db2.gz DQBFMSSVWIXNOB-WOPDTQHZSA-N 0 0 225.332 2.060 10 0 BEAERN O[C@H]1CCCCC[C@@H]1Nc1ncncc1Cl ZINC000163642832 135026402 /nfs/dbraw/zinc/02/64/02/135026402.db2.gz HTMDSFACEMBYOT-UWVGGRQHSA-N 0 0 241.722 2.236 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C ZINC000248964098 135028374 /nfs/dbraw/zinc/02/83/74/135028374.db2.gz NKBULXSWRFUUHY-SDDRHHMPSA-N 0 0 225.332 2.203 10 0 BEAERN C=Cn1cc(CN2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000249058379 135032112 /nfs/dbraw/zinc/03/21/12/135032112.db2.gz ZHIKMPIWYVKHMD-ZIAGYGMSSA-N 0 0 247.342 2.127 10 0 BEAERN CC[C@H](CSC)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000249296000 135043250 /nfs/dbraw/zinc/04/32/50/135043250.db2.gz BYFZAHAYTWDADL-HBNTYKKESA-N 0 0 245.388 2.059 10 0 BEAERN CCC(=CC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12)CC ZINC000251526604 135070202 /nfs/dbraw/zinc/07/02/02/135070202.db2.gz CYXJZKYGPJLZEW-YNEHKIRRSA-N 0 0 237.343 2.417 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@H]1C ZINC000253352574 135126467 /nfs/dbraw/zinc/12/64/67/135126467.db2.gz ORPPJEDWCZRZIC-FVCCEPFGSA-N 0 0 239.359 2.306 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)[C@@H](C)C(C)C ZINC000253553546 135127351 /nfs/dbraw/zinc/12/73/51/135127351.db2.gz BXIKVCCKOCDNFS-WOPDTQHZSA-N 0 0 227.348 2.447 10 0 BEAERN COC(=O)c1ccnc(-c2ccccc2)c1N ZINC000215156026 135232646 /nfs/dbraw/zinc/23/26/46/135232646.db2.gz GQWWFKINNKJTKM-UHFFFAOYSA-N 0 0 228.251 2.117 10 0 BEAERN Cc1ccc2c(c1)[C@@H]([N@H+](C)CC(=O)[O-])[C@H](C)C2 ZINC000263447642 135355168 /nfs/dbraw/zinc/35/51/68/135355168.db2.gz YHKRCDSLRSQZIQ-YGRLFVJLSA-N 0 0 233.311 2.245 10 0 BEAERN C[C@H](Nc1ccc2nccnc2n1)[C@@H]1CCCO1 ZINC000083419951 135447963 /nfs/dbraw/zinc/44/79/63/135447963.db2.gz LKSIJQPPXRRGOS-ONGXEEELSA-N 0 0 244.298 2.004 10 0 BEAERN C[C@H]1C[C@H]1Nc1ncnc2c1CCCC2 ZINC000087308169 135505144 /nfs/dbraw/zinc/50/51/44/135505144.db2.gz KSENUMKVIMSWQQ-GZMMTYOYSA-N 0 0 203.289 2.176 10 0 BEAERN OC1(C2CC2)CN(C/C=C/c2ccccc2)C1 ZINC000089678499 135539692 /nfs/dbraw/zinc/53/96/92/135539692.db2.gz MAXXBQKACRJRIN-QPJJXVBHSA-N 0 0 229.323 2.157 10 0 BEAERN CCCCSCc1nnc(CC)n1C ZINC000091028482 135558622 /nfs/dbraw/zinc/55/86/22/135558622.db2.gz TYGODCHRADNDBE-UHFFFAOYSA-N 0 0 213.350 2.411 10 0 BEAERN CC[C@H](CSC)N(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000091147584 135559675 /nfs/dbraw/zinc/55/96/75/135559675.db2.gz USWKBODVVNSAQX-HBNTYKKESA-N 0 0 245.388 2.154 10 0 BEAERN C[C@@H](C(=O)N1CCS[C@@H](C)C1)C1CCC1 ZINC000334572213 135730326 /nfs/dbraw/zinc/73/03/26/135730326.db2.gz KGZIKEZKZMDIMK-VHSXEESVSA-N 0 0 227.373 2.387 10 0 BEAERN Cc1ccc(=O)n([C@H]2CCC(C)(C)C2)n1 ZINC000335054548 135874755 /nfs/dbraw/zinc/87/47/55/135874755.db2.gz BKOKWNZRFUQZAV-JTQLQIEISA-N 0 0 206.289 2.303 10 0 BEAERN Cc1cncc(=O)n1[C@H]1CCC(C)(C)C1 ZINC000335284732 136002183 /nfs/dbraw/zinc/00/21/83/136002183.db2.gz BSVVWZRXMVQABX-JTQLQIEISA-N 0 0 206.289 2.303 10 0 BEAERN C[C@H]1CC[C@@H](N2C(=O)CC3(CCCC3)C2=O)C1 ZINC000335300475 136023328 /nfs/dbraw/zinc/02/33/28/136023328.db2.gz JGDNJNPFVLZRCS-WDEREUQCSA-N 0 0 235.327 2.494 10 0 BEAERN CCc1nc(CN2CCC[C@@H](O)[C@@H]2C)cs1 ZINC000335597238 136105492 /nfs/dbraw/zinc/10/54/92/136105492.db2.gz QXWNLHMYSKUBCU-GXSJLCMTSA-N 0 0 240.372 2.051 10 0 BEAERN CC[C@@](C)(O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000119383772 171185407 /nfs/dbraw/zinc/18/54/07/171185407.db2.gz IRPNONPVTFAPIH-MWLCHTKSSA-N 0 0 228.361 2.263 10 0 BEAERN CCC1(C(=O)N2CCC[C@@H](O)[C@@H]2C)CCCC1 ZINC000336233799 397733992 /nfs/dbraw/zinc/73/39/92/397733992.db2.gz MKAOXKMGSWYLIK-NWDGAFQWSA-N 0 0 239.359 2.329 10 0 BEAERN CC(C)CNC(=O)[C@@]1(C)CCCS1 ZINC000162776562 397782539 /nfs/dbraw/zinc/78/25/39/397782539.db2.gz DQXQGOQQLXFSIC-SNVBAGLBSA-N 0 0 201.335 2.044 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)n(C)n1 ZINC000128303125 397793759 /nfs/dbraw/zinc/79/37/59/397793759.db2.gz CUXKGXTZFYSRSN-JTQLQIEISA-N 0 0 247.298 2.121 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Cl)cc1O ZINC000052293387 397742657 /nfs/dbraw/zinc/74/26/57/397742657.db2.gz KGFPQPBNTDKRNX-MUWHJKNJSA-N 0 0 225.675 2.184 10 0 BEAERN C[C@@H]1[C@H](O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447693 397933906 /nfs/dbraw/zinc/93/39/06/397933906.db2.gz GRGUTZRHELOISE-GIPNMCIBSA-N 0 0 241.331 2.014 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)Nc1ccnc(C)n1 ZINC000332978229 397946631 /nfs/dbraw/zinc/94/66/31/397946631.db2.gz YBFBEGWBVLVFNX-VHSXEESVSA-N 0 0 234.303 2.095 10 0 BEAERN COc1ccc(F)c(C(F)(F)F)c1N ZINC000306898299 397948277 /nfs/dbraw/zinc/94/82/77/397948277.db2.gz WTYRKSMGRCZZNF-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN COCC(=O)c1ccsc1Br ZINC000575500223 397968311 /nfs/dbraw/zinc/96/83/11/397968311.db2.gz JRPBLTKYXJKSNX-UHFFFAOYSA-N 0 0 235.102 2.340 10 0 BEAERN CCCc1cc(NC(=O)c2cccnc2C)n[nH]1 ZINC000110849077 397905295 /nfs/dbraw/zinc/90/52/95/397905295.db2.gz ZIYOMQBVCBODNR-UHFFFAOYSA-N 0 0 244.298 2.318 10 0 BEAERN N#CCc1c(C#N)cc(C(F)(F)F)cc1C=O ZINC000575646541 397962674 /nfs/dbraw/zinc/96/26/74/397962674.db2.gz JTQHQYHLFNNAPM-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN COCc1csc(Br)n1 ZINC000231720469 397918030 /nfs/dbraw/zinc/91/80/30/397918030.db2.gz ACDMCXMUIWZAEY-UHFFFAOYSA-N 0 0 208.080 2.052 10 0 BEAERN COC(=O)N1c2ccccc2NC[C@@H]1C(F)F ZINC000616684064 397925982 /nfs/dbraw/zinc/92/59/82/397925982.db2.gz FLAMTOXSHCTFSL-SECBINFHSA-N 0 0 242.225 2.319 10 0 BEAERN C[C@H]1C[C@]1(C)Nc1nsnc1Cl ZINC000575592355 397991199 /nfs/dbraw/zinc/99/11/99/397991199.db2.gz ULSZMQPDHGWJJJ-FFWSUHOLSA-N 0 0 203.698 2.402 10 0 BEAERN N#Cc1c(F)ccc(CO)c1OC(F)(F)F ZINC000575645357 398044461 /nfs/dbraw/zinc/04/44/61/398044461.db2.gz FGCOOJVMJSPMFP-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN COC(=O)c1c(C)ccc(OC)c1Cl ZINC000260111590 398047107 /nfs/dbraw/zinc/04/71/07/398047107.db2.gz NSCIXJQSCMQDOE-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CCc1nc([C@@H](O)c2ccsn2)cs1 ZINC000307265143 398047416 /nfs/dbraw/zinc/04/74/16/398047416.db2.gz YCSOGGYCGAMDCF-VIFPVBQESA-N 0 0 226.326 2.244 10 0 BEAERN Cc1cc(=O)[nH]c(-c2ccc(N(C)C)cc2)c1 ZINC000211599433 398047664 /nfs/dbraw/zinc/04/76/64/398047664.db2.gz LDASRACNPJVHBD-UHFFFAOYSA-N 0 0 228.295 2.416 10 0 BEAERN CC1(C)SC[C@H]1NC1N=NC(=S)S1 ZINC000307087721 397978682 /nfs/dbraw/zinc/97/86/82/397978682.db2.gz RZJYLRPSGRTRLX-SCSAIBSYSA-N 0 0 233.387 2.133 10 0 BEAERN O=C1c2cccc(O)c2Cc2cccc(O)c21 ZINC000013606493 397986796 /nfs/dbraw/zinc/98/67/96/397986796.db2.gz MYYRAEQRSBLQQO-UHFFFAOYSA-N 0 0 226.231 2.233 10 0 in-vivo BEAERN Brc1cccc(Cn2nccn2)c1 ZINC000222732761 397988243 /nfs/dbraw/zinc/98/82/43/397988243.db2.gz KFNSGEYKAIQOCP-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN COc1cc(C)c(CO)cc1OC(F)F ZINC000575665722 398062116 /nfs/dbraw/zinc/06/21/16/398062116.db2.gz SOPIGCWALJEPFY-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN CCOC(=O)c1c(N)cc(O)cc1C(F)(F)F ZINC000575724576 398069240 /nfs/dbraw/zinc/06/92/40/398069240.db2.gz KCHCUHLIPAUDFG-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCOC(=O)Cc1cc(CC)cc(C)c1N ZINC000575724624 398069786 /nfs/dbraw/zinc/06/97/86/398069786.db2.gz MLAWRNAECRSBHF-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN COc1nn(C)cc1N[C@H]1CCC1(C)C ZINC000335086745 398093456 /nfs/dbraw/zinc/09/34/56/398093456.db2.gz YFROQOVWRIOBLY-VIFPVBQESA-N 0 0 209.293 2.029 10 0 BEAERN C[C@@H](Nc1cccnn1)c1ccccn1 ZINC000052816037 398076285 /nfs/dbraw/zinc/07/62/85/398076285.db2.gz JKXVBQNIJUYMMV-SECBINFHSA-N 0 0 200.245 2.045 10 0 BEAERN CC(C)(C)OC(=O)Cc1cccc(F)c1N ZINC000584594251 398077197 /nfs/dbraw/zinc/07/71/97/398077197.db2.gz QXDAVHGIRORQGH-UHFFFAOYSA-N 0 0 225.263 2.292 10 0 BEAERN O=c1nc(-c2ccc(F)cc2)oc2cnccc12 ZINC000584623277 398079043 /nfs/dbraw/zinc/07/90/43/398079043.db2.gz DCLQCLHZHVOUCE-UHFFFAOYSA-N 0 0 242.209 2.389 10 0 BEAERN O=C1OCCN1C12CC3CC(CC(C3)C1)C2 ZINC000584627328 398080269 /nfs/dbraw/zinc/08/02/69/398080269.db2.gz TXXGLOITIMPHQT-UHFFFAOYSA-N 0 0 221.300 2.407 10 0 BEAERN O=c1[nH]nc2cc(-c3ccccc3)c(Cl)nn21 ZINC000584639640 398083970 /nfs/dbraw/zinc/08/39/70/398083970.db2.gz AOZLEGHKIUWXCI-UHFFFAOYSA-N 0 0 246.657 2.150 10 0 BEAERN COC(=O)Cc1cc(F)c(Cl)c(F)c1F ZINC000260284356 398084156 /nfs/dbraw/zinc/08/41/56/398084156.db2.gz MLJJGWZWGWJNHL-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN FCC(CF)Oc1ncccc1Cl ZINC000584642080 398084743 /nfs/dbraw/zinc/08/47/43/398084743.db2.gz AGZCLIJXHPLYBP-UHFFFAOYSA-N 0 0 207.607 2.421 10 0 BEAERN CCOC(=O)/C(=C/N(C)C)c1ccc(F)cc1 ZINC000584645960 398085828 /nfs/dbraw/zinc/08/58/28/398085828.db2.gz HGGCUGNWQRUBJF-FMIVXFBMSA-N 0 0 237.274 2.291 10 0 BEAERN CCOc1cc(CO)c(OC(F)F)cc1OC ZINC000575656129 398052367 /nfs/dbraw/zinc/05/23/67/398052367.db2.gz DYRUECGEVPCAEC-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCCCO1 ZINC000189584615 398058002 /nfs/dbraw/zinc/05/80/02/398058002.db2.gz YCCFJVAMALWYGP-GXFFZTMASA-N 0 0 247.294 2.105 10 0 BEAERN C[C@@H](NC(=O)C1(C)CC1)[C@H]1COc2ccccc21 ZINC000128906304 398098125 /nfs/dbraw/zinc/09/81/25/398098125.db2.gz UXXXUEIYLMUPOD-ZYHUDNBSSA-N 0 0 245.322 2.467 10 0 BEAERN CN(c1cc(Br)ncn1)C1CCC1 ZINC000160848209 398117920 /nfs/dbraw/zinc/11/79/20/398117920.db2.gz IBMUQOJCKIUPJV-UHFFFAOYSA-N 0 0 242.120 2.228 10 0 BEAERN O=Cc1ccc(OC(F)(F)F)c2n[nH]cc21 ZINC000261509090 398121685 /nfs/dbraw/zinc/12/16/85/398121685.db2.gz ZSUGBUKFXOZKKY-UHFFFAOYSA-N 0 0 230.145 2.274 10 0 BEAERN CNc1nnc(-c2cccnc2Cl)s1 ZINC000222958488 398126730 /nfs/dbraw/zinc/12/67/30/398126730.db2.gz WZKMXVSDIWMITB-UHFFFAOYSA-N 0 0 226.692 2.295 10 0 BEAERN CC(C)CNc1ccccc1-n1cncn1 ZINC000037042061 167019053 /nfs/dbraw/zinc/01/90/53/167019053.db2.gz UVEUHVAWLTZWMC-UHFFFAOYSA-N 0 0 216.288 2.335 10 0 BEAERN CC(C)C[NH2+]c1ccc(N)c(C(=O)[O-])c1 ZINC000037930166 167016810 /nfs/dbraw/zinc/01/68/10/167016810.db2.gz IATFYEDQWMANFE-UHFFFAOYSA-N 0 0 208.261 2.035 10 0 BEAERN CC(C)[NH2+][C@](C)(C(=O)[O-])c1c(F)cccc1F ZINC000037182989 167142007 /nfs/dbraw/zinc/14/20/07/167142007.db2.gz LSGLWDXNANTPQX-LBPRGKRZSA-N 0 0 243.253 2.263 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829233 487560204 /nfs/dbraw/zinc/56/02/04/487560204.db2.gz FSBMBORUYFEDLA-JQWIXIFHSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1cc(C)cc(N(C)C[C@@H](C)CO)c1 ZINC000120679676 490067435 /nfs/dbraw/zinc/06/74/35/490067435.db2.gz HVIOHUAASMDURG-GFCCVEGCSA-N 0 0 207.317 2.368 10 0 BEAERN Brc1snc2ncccc12 ZINC000039711853 166109226 /nfs/dbraw/zinc/10/92/26/166109226.db2.gz PRXQXZJDIYHKFE-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN O[C@H]1CCC[C@H](CN2CCCC(F)(F)C2)C1 ZINC000405109388 487577515 /nfs/dbraw/zinc/57/75/15/487577515.db2.gz MPEADNOAJCNXAJ-QWRGUYRKSA-N 0 0 233.302 2.269 10 0 BEAERN CC(C)Oc1nc(Cl)nc(OC(C)C)n1 ZINC000002034055 167312710 /nfs/dbraw/zinc/31/27/10/167312710.db2.gz UIMHAKPOIRGDEG-UHFFFAOYSA-N 0 0 231.683 2.099 10 0 BEAERN CC(C)S(=O)(=O)Nc1c(N)cccc1Cl ZINC000050352693 167319160 /nfs/dbraw/zinc/31/91/60/167319160.db2.gz JIJPLOOPOXUUNA-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN CC(C)S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000013473524 167319888 /nfs/dbraw/zinc/31/98/88/167319888.db2.gz HIYDOWJVBIJBQF-LLVKDONJSA-N 0 0 241.356 2.118 10 0 BEAERN CC(C)S(=O)(=O)Nc1cc(Cl)ccc1N ZINC000037657223 167320017 /nfs/dbraw/zinc/32/00/17/167320017.db2.gz NTNJUOHBLHCBEL-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN C[C@H]1CN(C(=O)N2CCCCCC2)CCS1 ZINC000127847918 409721746 /nfs/dbraw/zinc/72/17/46/409721746.db2.gz FBXMQVDVVCQMHX-NSHDSACASA-N 0 0 242.388 2.420 10 0 BEAERN Nc1ccc2cnn(-c3ccccn3)c2c1 ZINC000040516695 409821313 /nfs/dbraw/zinc/82/13/13/409821313.db2.gz SBWXQXJUVJGKEF-UHFFFAOYSA-N 0 0 210.240 2.003 10 0 BEAERN Brc1cc(-c2cnoc2)ccn1 ZINC000072193074 166095369 /nfs/dbraw/zinc/09/53/69/166095369.db2.gz QVPWQIZUWUDALR-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1c[nH]c(-c2ccncc2)n1 ZINC000090470074 166096022 /nfs/dbraw/zinc/09/60/22/166096022.db2.gz PBFLENGJBLSSJO-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Brc1cc2c3c(c1)ncn3CC2 ZINC000082587484 166096097 /nfs/dbraw/zinc/09/60/97/166096097.db2.gz BZUNFQJEUNCAIO-UHFFFAOYSA-N 0 0 223.073 2.355 10 0 BEAERN C=Cc1ccccc1OCCOCCOC ZINC000215505178 410074656 /nfs/dbraw/zinc/07/46/56/410074656.db2.gz CYZPWWZKULDMBB-UHFFFAOYSA-N 0 0 222.284 2.371 10 0 BEAERN Brc1ccc([C@H]2CCOC2)cn1 ZINC000044121945 166099258 /nfs/dbraw/zinc/09/92/58/166099258.db2.gz CBOYCVNIOIUOGA-QMMMGPOBSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1ccc2c(c1)oc1nncn21 ZINC000026510700 166099409 /nfs/dbraw/zinc/09/94/09/166099409.db2.gz ZYWDWFMIDWIVSB-UHFFFAOYSA-N 0 0 238.044 2.238 10 0 BEAERN Brc1cccc([C@H]2C[NH2+]CO2)c1 ZINC000071533575 166100730 /nfs/dbraw/zinc/10/07/30/166100730.db2.gz JKIVUDSWBZXIJR-SECBINFHSA-N 0 0 228.089 2.068 10 0 BEAERN Brc1cnc(-c2ccncc2)cn1 ZINC000044117646 166104023 /nfs/dbraw/zinc/10/40/23/166104023.db2.gz ZCHRDRKGMJFBRB-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cncc(-n2ccnc2)c1 ZINC000072192794 166104985 /nfs/dbraw/zinc/10/49/85/166104985.db2.gz JRGBDKMZPHTEQM-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cncnc1-c1ccco1 ZINC000082326436 166105586 /nfs/dbraw/zinc/10/55/86/166105586.db2.gz CJPOSITZOPXTCP-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1csc([C@@H]2COCCN2)c1 ZINC000071562661 166106521 /nfs/dbraw/zinc/10/65/21/166106521.db2.gz AIBQADMZZLDZKC-ZETCQYMHSA-N 0 0 248.145 2.172 10 0 BEAERN Brc1csc(NC2CC2)n1 ZINC000044116864 166107047 /nfs/dbraw/zinc/10/70/47/166107047.db2.gz CSPHLAXGFGXNCA-UHFFFAOYSA-N 0 0 219.107 2.480 10 0 BEAERN CCN(CC(N)=S)c1cccc(C)c1 ZINC000031945363 169743901 /nfs/dbraw/zinc/74/39/01/169743901.db2.gz RVJQNZQBXQOSBW-UHFFFAOYSA-N 0 0 208.330 2.107 10 0 BEAERN CCN(CC)C(=O)/C=C/c1cccc(N)c1 ZINC000032013311 169744330 /nfs/dbraw/zinc/74/43/30/169744330.db2.gz QOYNVGIXRBHCBC-CMDGGOBGSA-N 0 0 218.300 2.150 10 0 BEAERN C(=Cc1ncnc2[nH]cnc21)NC1CCCCC1 ZINC000100214241 166228416 /nfs/dbraw/zinc/22/84/16/166228416.db2.gz XVNBRFVPIGINKC-SREVYHEPSA-N 0 0 243.314 2.246 10 0 BEAERN CC(=O)c1cnc2c(C)cc(C)cc2c1O ZINC000040176337 166439598 /nfs/dbraw/zinc/43/95/98/166439598.db2.gz XTLGTJOACHYMPT-UHFFFAOYSA-N 0 0 215.252 2.348 10 0 BEAERN CC(=O)c1cc(C)ccc1OCCn1cccn1 ZINC000049314566 166444070 /nfs/dbraw/zinc/44/40/70/166444070.db2.gz WGSVPLQDZZKNEY-UHFFFAOYSA-N 0 0 244.294 2.473 10 0 BEAERN CC(=O)c1cccc(OCc2cnn(C)c2)c1 ZINC000020253851 166478904 /nfs/dbraw/zinc/47/89/04/166478904.db2.gz MSXPHZKNNGKMPB-UHFFFAOYSA-N 0 0 230.267 2.202 10 0 BEAERN CC(=O)c1ccccc1Sc1nncn1C ZINC000019871815 166485118 /nfs/dbraw/zinc/48/51/18/166485118.db2.gz GEFVJFRGVWCTFH-UHFFFAOYSA-N 0 0 233.296 2.169 10 0 BEAERN CC(C)(C)C(=O)NCC(=O)c1ccccc1 ZINC000049817092 166528295 /nfs/dbraw/zinc/52/82/95/166528295.db2.gz TVHPSLJXSSUQDT-UHFFFAOYSA-N 0 0 219.284 2.032 10 0 BEAERN CC(C)(C)CC[S@@](=O)c1ncccc1N ZINC000049256436 166576117 /nfs/dbraw/zinc/57/61/17/166576117.db2.gz QHUYDWOMMLRWEY-HNNXBMFYSA-N 0 0 226.345 2.208 10 0 BEAERN CC(C)(C)NC(=O)[C@@H]1CCc2ccccc2N1 ZINC000019502650 166624490 /nfs/dbraw/zinc/62/44/90/166624490.db2.gz UJTLHAUJPHJYLW-LBPRGKRZSA-N 0 0 232.327 2.328 10 0 BEAERN CC(C)(C)OC(=O)Nc1cccc(C=O)c1N ZINC000098179127 166670671 /nfs/dbraw/zinc/67/06/71/166670671.db2.gz YKPLLSQEIFDGKK-UHFFFAOYSA-N 0 0 236.271 2.428 10 0 BEAERN CC(C)(C)[C@@H](Nc1ccccc1F)C(N)=O ZINC000041051733 166698998 /nfs/dbraw/zinc/69/89/98/166698998.db2.gz FYULRDXRVJSMEO-JTQLQIEISA-N 0 0 224.279 2.138 10 0 BEAERN CC(C)CC(=O)N1CCc2c1cccc2N ZINC000070614439 166763452 /nfs/dbraw/zinc/76/34/52/166763452.db2.gz YMYSXIXLOHWXLO-UHFFFAOYSA-N 0 0 218.300 2.204 10 0 BEAERN CC(C)CC(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000082256923 166772202 /nfs/dbraw/zinc/77/22/02/166772202.db2.gz OAHBLWAWCVUMHM-ZDUSSCGKSA-N 0 0 246.354 2.428 10 0 BEAERN CC(C)CN(C(N)=O)[C@@H]1CCCc2cccnc21 ZINC000124936308 166928110 /nfs/dbraw/zinc/92/81/10/166928110.db2.gz RSAJHOZSHRDWJX-GFCCVEGCSA-N 0 0 247.342 2.496 10 0 BEAERN CC(C)CNC(=O)[C@@H](C)Nc1cccc(F)c1 ZINC000020313298 166993926 /nfs/dbraw/zinc/99/39/26/166993926.db2.gz SUOWRBYUTQVVLV-SNVBAGLBSA-N 0 0 238.306 2.398 10 0 BEAERN CC(C)C[NH2+][C@@](C(N)=O)(c1ccccc1)C(C)C ZINC000037951959 167011544 /nfs/dbraw/zinc/01/15/44/167011544.db2.gz FOFVEUMDJRSCGP-OAHLLOKOSA-N 0 0 248.370 2.269 10 0 BEAERN CC(C)[N@@H+]1CCc2sc(C(=O)[O-])cc2C1 ZINC000020432644 167026705 /nfs/dbraw/zinc/02/67/05/167026705.db2.gz DLGKZWIEXKMUES-UHFFFAOYSA-N 0 0 225.313 2.213 10 0 BEAERN CC(C)NC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000019428516 167082036 /nfs/dbraw/zinc/08/20/36/167082036.db2.gz BGUPNJLVSQRCQK-ZYHUDNBSSA-N 0 0 232.327 2.499 10 0 BEAERN CC(C)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117741207 167083609 /nfs/dbraw/zinc/08/36/09/167083609.db2.gz RTBROVSCUOZQQV-SKDRFNHKSA-N 0 0 219.284 2.076 10 0 BEAERN CC(C)NC(=O)c1ccc(N[C@@H]2CCOC2)cc1 ZINC000104063460 167087462 /nfs/dbraw/zinc/08/74/62/167087462.db2.gz DGTXFQBMKZYAID-CYBMUJFWSA-N 0 0 248.326 2.026 10 0 BEAERN CC(C)NCc1noc(C2CCCC2)n1 ZINC000051861106 167123699 /nfs/dbraw/zinc/12/36/99/167123699.db2.gz JQRHHQZBPAEDBV-UHFFFAOYSA-N 0 0 209.293 2.225 10 0 BEAERN CC(C)[NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000077401626 167140810 /nfs/dbraw/zinc/14/08/10/167140810.db2.gz PBVGOCPUZZTJLH-CYBMUJFWSA-N 0 0 246.310 2.162 10 0 BEAERN CC(C)Nc1ccc(-n2cncn2)c(F)c1 ZINC000037787970 167145101 /nfs/dbraw/zinc/14/51/01/167145101.db2.gz GOYIXOVQLAYSCQ-UHFFFAOYSA-N 0 0 220.251 2.227 10 0 BEAERN CC(C)OC(=O)c1cc(N)cn1C(C)C ZINC000048671193 167172224 /nfs/dbraw/zinc/17/22/24/167172224.db2.gz PHJUCVPPDJPYCT-UHFFFAOYSA-N 0 0 210.277 2.216 10 0 BEAERN CC(C)OC(=O)c1cccnc1N[C@@H]1C[C@H]1C ZINC000302218581 167175050 /nfs/dbraw/zinc/17/50/50/167175050.db2.gz LCCIUSNHRRXQDV-MWLCHTKSSA-N 0 0 234.299 2.467 10 0 BEAERN CC(C)OCCC(=O)Nc1cccc(N)c1 ZINC000019263576 167202169 /nfs/dbraw/zinc/20/21/69/167202169.db2.gz OMRGAQNMFUFYSO-UHFFFAOYSA-N 0 0 222.288 2.022 10 0 BEAERN CC(C)Oc1cc(N)c(N)cc1OC(C)C ZINC000039428111 167286270 /nfs/dbraw/zinc/28/62/70/167286270.db2.gz FSCNFDUBSHSRET-UHFFFAOYSA-N 0 0 224.304 2.425 10 0 BEAERN CC(C)Oc1ccc(N)c(OC(C)C)n1 ZINC000037069200 167295602 /nfs/dbraw/zinc/29/56/02/167295602.db2.gz FVDFFSGZGGHMPX-UHFFFAOYSA-N 0 0 210.277 2.238 10 0 BEAERN CC(C)Oc1cccc([C@H](O)Cc2ncc[nH]2)c1 ZINC000061666982 167308300 /nfs/dbraw/zinc/30/83/00/167308300.db2.gz ADOIMIKLLVYUMP-CYBMUJFWSA-N 0 0 246.310 2.473 10 0 BEAERN CC(C)Oc1cncc(OC2CC2)c1C=O ZINC000095720504 167311769 /nfs/dbraw/zinc/31/17/69/167311769.db2.gz ZHWJEYQWGYYPNP-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Sc1ccc(N)c2nonc21 ZINC000037685019 167337205 /nfs/dbraw/zinc/33/72/05/167337205.db2.gz XQDXAFMPWDQBIP-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1c[nH]nc1C1CC1 ZINC000184218445 167379194 /nfs/dbraw/zinc/37/91/94/167379194.db2.gz LAPPEVPKWAHEIN-MRVPVSSYSA-N 0 0 221.304 2.061 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050700706 167379616 /nfs/dbraw/zinc/37/96/16/167379616.db2.gz NXWFYYLHFQADRV-SSDOTTSWSA-N 0 0 241.722 2.092 10 0 BEAERN CC(C)[C@@H](C)Nc1ccnc2c1cnn2C ZINC000278699945 167387575 /nfs/dbraw/zinc/38/75/75/167387575.db2.gz MUFJNPUGOVRDRR-SECBINFHSA-N 0 0 218.304 2.425 10 0 BEAERN CC(C)[C@@H](C)Nc1ncnc2ncccc21 ZINC000163042731 167388427 /nfs/dbraw/zinc/38/84/27/167388427.db2.gz LLJLLKMYSNRHEE-SECBINFHSA-N 0 0 216.288 2.481 10 0 BEAERN CC(C)[C@@H](O)C(=O)c1c[nH]c2ccccc12 ZINC000073168119 167442526 /nfs/dbraw/zinc/44/25/26/167442526.db2.gz WSNIHKDHYATUSE-GFCCVEGCSA-N 0 0 217.268 2.368 10 0 in-vitro BEAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccco1 ZINC000267384742 167516695 /nfs/dbraw/zinc/51/66/95/167516695.db2.gz HKIDOSGWBJAHCB-CMPLNLGQSA-N 0 0 237.299 2.071 10 0 BEAERN CC(C)c1c(N)nc(-c2ccc(F)cc2)[nH]c1=O ZINC000104161563 167553821 /nfs/dbraw/zinc/55/38/21/167553821.db2.gz IAFNTCJCKUMCRY-UHFFFAOYSA-N 0 0 247.273 2.282 10 0 BEAERN CC(C)c1c(C=O)nnn1Cc1ccccc1 ZINC000062282896 167555017 /nfs/dbraw/zinc/55/50/17/167555017.db2.gz QWHJOTBDKLASDJ-UHFFFAOYSA-N 0 0 229.283 2.262 10 0 BEAERN CC[NH+](CC)[C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000037360596 169798210 /nfs/dbraw/zinc/79/82/10/169798210.db2.gz REANAGYDASPAIE-JQWIXIFHSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)c1ccc([C@](C)([NH3+])CC(=O)[O-])cc1 ZINC000057951968 167621372 /nfs/dbraw/zinc/62/13/72/167621372.db2.gz LYHSVPXIEQUJRL-CYBMUJFWSA-N 0 0 221.300 2.459 10 0 BEAERN COc1ccc(C2=C(C)COC2=O)cc1 ZINC000196268091 411138107 /nfs/dbraw/zinc/13/81/07/411138107.db2.gz ZGLRZSATOMFNTM-UHFFFAOYSA-N 0 0 204.225 2.026 10 0 BEAERN CC(C)[C@H](C)NC(=O)CCOCC(F)(F)F ZINC000045279690 411144908 /nfs/dbraw/zinc/14/49/08/411144908.db2.gz DMHIWWQJPGERHQ-QMMMGPOBSA-N 0 0 241.253 2.116 10 0 BEAERN CN(C[C@@H]1CCCOC1)c1ccccc1CO ZINC000111165197 411146677 /nfs/dbraw/zinc/14/66/77/411146677.db2.gz ZSSISMNBXZDCDZ-LBPRGKRZSA-N 0 0 235.327 2.042 10 0 BEAERN CC(=O)c1ccnc(N2CCS[C@@H](C)C2)c1 ZINC000123441758 411153265 /nfs/dbraw/zinc/15/32/65/411153265.db2.gz NABHITAMWYYINO-VIFPVBQESA-N 0 0 236.340 2.226 10 0 BEAERN CC(C)c1ncc(N2CCCCCC2)c(CO)n1 ZINC000050365010 167685799 /nfs/dbraw/zinc/68/57/99/167685799.db2.gz ARBPPRCFJNQGIF-UHFFFAOYSA-N 0 0 249.358 2.473 10 0 BEAERN CC(C)c1nccc(NCCCc2cc[nH]n2)n1 ZINC000302781483 167689431 /nfs/dbraw/zinc/68/94/31/167689431.db2.gz RUGCTYNLTOIKGQ-UHFFFAOYSA-N 0 0 245.330 2.368 10 0 BEAERN CC(C)c1noc(NC[C@H](O)C(C)(C)C)n1 ZINC000301352119 167724237 /nfs/dbraw/zinc/72/42/37/167724237.db2.gz WJYJHNDJGTUKIS-QMMMGPOBSA-N 0 0 227.308 2.012 10 0 BEAERN CC(C)c1noc(NCc2ccncc2)n1 ZINC000057354003 167725565 /nfs/dbraw/zinc/72/55/65/167725565.db2.gz GHYPCKVRPKGICW-UHFFFAOYSA-N 0 0 218.260 2.200 10 0 BEAERN CCCn1nccc1NC(=O)NCc1ccco1 ZINC000043723134 411126080 /nfs/dbraw/zinc/12/60/80/411126080.db2.gz IJBGPPDVHGVPBS-UHFFFAOYSA-N 0 0 248.286 2.208 10 0 BEAERN CCCn1nccc1NC(=O)NCCC(C)C ZINC000043723042 411126094 /nfs/dbraw/zinc/12/60/94/411126094.db2.gz FMXBZWGGRLJFPD-UHFFFAOYSA-N 0 0 238.335 2.461 10 0 BEAERN CNc1nc([C@@H]2SCCS[C@@H]2C)no1 ZINC000228182532 411182748 /nfs/dbraw/zinc/18/27/48/411182748.db2.gz LZUPRFKGYISCHX-PHDIDXHHSA-N 0 0 231.346 2.021 10 0 BEAERN C[C@@H](NC(=O)NCc1cscn1)C(C)(C)C ZINC000112448427 411208299 /nfs/dbraw/zinc/20/82/99/411208299.db2.gz MAEBGJZSGVRWHZ-MRVPVSSYSA-N 0 0 241.360 2.377 10 0 BEAERN Cc1cccc(CNC(=O)N[C@@H](C)C(C)C)n1 ZINC000048856011 411217927 /nfs/dbraw/zinc/21/79/27/411217927.db2.gz PWJKDWWARIOHJO-NSHDSACASA-N 0 0 235.331 2.234 10 0 BEAERN CCc1cc(NC(=O)c2ccc(C)o2)n[nH]1 ZINC000049138692 411226186 /nfs/dbraw/zinc/22/61/86/411226186.db2.gz FOTJYVDDPCMLSS-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN CCc1cc(NC(=O)c2ccsc2)n[nH]1 ZINC000049139076 411226280 /nfs/dbraw/zinc/22/62/80/411226280.db2.gz OWHZNOMEGXCNRH-UHFFFAOYSA-N 0 0 221.285 2.286 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000129142493 411232623 /nfs/dbraw/zinc/23/26/23/411232623.db2.gz NPOMNKDVZWIHDN-VXGBXAGGSA-N 0 0 249.358 2.480 10 0 BEAERN CCN(CC)c1nc(Cl)c(C=O)s1 ZINC000026506301 169805699 /nfs/dbraw/zinc/80/56/99/169805699.db2.gz DBZSEQSAZWHLQT-UHFFFAOYSA-N 0 0 218.709 2.455 10 0 BEAERN CCC1CCC(NC(=O)c2ccc(N)nc2)CC1 ZINC000050707361 411265119 /nfs/dbraw/zinc/26/51/19/411265119.db2.gz LHBJIKMFWYLPQC-UHFFFAOYSA-N 0 0 247.342 2.362 10 0 BEAERN CCC[C@@H](C)C[N@H+](C)[C@@H](CC)C(=O)[O-] ZINC000051322677 411272149 /nfs/dbraw/zinc/27/21/49/411272149.db2.gz YEEBPMRNHBQXPO-ZJUUUORDSA-N 0 0 201.310 2.218 10 0 BEAERN COC(=O)c1sc2cc(Cl)cnc2c1N ZINC000138895471 411318630 /nfs/dbraw/zinc/31/86/30/411318630.db2.gz CJTHRTORVFJNHH-UHFFFAOYSA-N 0 0 242.687 2.319 10 0 BEAERN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000304198251 411352597 /nfs/dbraw/zinc/35/25/97/411352597.db2.gz YEADVOHGELMJBC-VHSXEESVSA-N 0 0 234.299 2.010 10 0 BEAERN CC[C@H](C)C[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304186020 411353092 /nfs/dbraw/zinc/35/30/92/411353092.db2.gz RYYHJVPLIAOKFI-JTQLQIEISA-N 0 0 236.315 2.258 10 0 BEAERN CC1(CNC(=O)c2ccc(Cl)cc2)COC1 ZINC000039020439 168038366 /nfs/dbraw/zinc/03/83/66/168038366.db2.gz KZBCPSHTFPSFON-UHFFFAOYSA-N 0 0 239.702 2.106 10 0 BEAERN CC1=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000336619886 168076530 /nfs/dbraw/zinc/07/65/30/168076530.db2.gz LRLQDZGICHHQJT-QWRGUYRKSA-N 0 0 223.316 2.123 10 0 BEAERN CC1=CC(C)(C)Nc2c(C(N)=O)cccc21 ZINC000072416608 168092769 /nfs/dbraw/zinc/09/27/69/168092769.db2.gz PBZYXHIDBAIULJ-UHFFFAOYSA-N 0 0 216.284 2.393 10 0 BEAERN CC1=N/C(=C\c2ccc(F)c(F)c2)C(=O)O1 ZINC000039170120 168132545 /nfs/dbraw/zinc/13/25/45/168132545.db2.gz OJWMIWZGTIBSDV-YHYXMXQVSA-N 0 0 223.178 2.281 10 0 BEAERN Cc1[nH][nH]c(=O)c1Cc1ccccc1Cl ZINC000100127843 168136637 /nfs/dbraw/zinc/13/66/37/168136637.db2.gz PRACZXXYLKXEMO-SECBINFHSA-N 0 0 222.675 2.004 10 0 BEAERN C[C@@H](C[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000042487885 168159818 /nfs/dbraw/zinc/15/98/18/168159818.db2.gz OYKJLDZIYBJWGI-YVNMAJEFSA-N 0 0 213.321 2.218 10 0 BEAERN CC1CCC(OC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000048633082 168166657 /nfs/dbraw/zinc/16/66/57/168166657.db2.gz QNEZTCSQXAXKCT-VQXHTEKXSA-N 0 0 227.348 2.482 10 0 BEAERN CC1CCN(Cc2cc(Cl)ncn2)CC1 ZINC000026510559 168184285 /nfs/dbraw/zinc/18/42/85/168184285.db2.gz BXPUOEGMGONMBK-UHFFFAOYSA-N 0 0 225.723 2.362 10 0 BEAERN CC1CC[NH+]([C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000062749944 168186636 /nfs/dbraw/zinc/18/66/36/168186636.db2.gz RQINSGDKJQGRHO-VXGBXAGGSA-N 0 0 225.332 2.362 10 0 BEAERN CCC(=O)N(CC)Cc1cccc(N)c1 ZINC000035364081 168212527 /nfs/dbraw/zinc/21/25/27/168212527.db2.gz GJJJADPUHSYGTB-UHFFFAOYSA-N 0 0 206.289 2.027 10 0 BEAERN CCC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000115224341 168212572 /nfs/dbraw/zinc/21/25/72/168212572.db2.gz JBGCDDTZDCCESS-JTQLQIEISA-N 0 0 206.289 2.401 10 0 BEAERN CCC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000041423767 168226460 /nfs/dbraw/zinc/22/64/60/168226460.db2.gz WCVHUPSRFFXLDA-DGCLKSJQSA-N 0 0 233.311 2.385 10 0 BEAERN CCC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110441580 168232140 /nfs/dbraw/zinc/23/21/40/168232140.db2.gz ZCHLMGBSCYZROM-NWDGAFQWSA-N 0 0 203.285 2.316 10 0 BEAERN CCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173922348 168236490 /nfs/dbraw/zinc/23/64/90/168236490.db2.gz CYQGARZEDASPAG-NSHDSACASA-N 0 0 243.310 2.460 10 0 BEAERN CCC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000083069058 168251936 /nfs/dbraw/zinc/25/19/36/168251936.db2.gz QXPODYGRSAPFDR-SECBINFHSA-N 0 0 227.304 2.223 10 0 BEAERN CCC(=O)c1c(O)ccc2ccc(=O)oc21 ZINC000064550060 168253342 /nfs/dbraw/zinc/25/33/42/168253342.db2.gz DVLIOVBNBOBBGS-UHFFFAOYSA-N 0 0 218.208 2.091 10 0 in-vivo BEAERN CCC(=O)c1ssc(=O)c1CC ZINC000039100777 168259615 /nfs/dbraw/zinc/25/96/15/168259615.db2.gz CGKQOZNYMONSEI-UHFFFAOYSA-N 0 0 202.300 2.325 10 0 BEAERN CCC(C)(C)C(=O)NCc1cccc(OC)n1 ZINC000102638866 168266792 /nfs/dbraw/zinc/26/67/92/168266792.db2.gz OQSISNCAIIMZHM-UHFFFAOYSA-N 0 0 236.315 2.143 10 0 BEAERN CCC(C)(C)CC(=O)N1CC[C@H](CCO)C1 ZINC000340267561 168271722 /nfs/dbraw/zinc/27/17/22/168271722.db2.gz MWKUBJHNQNRLFV-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN CCC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000340274775 168274785 /nfs/dbraw/zinc/27/47/85/168274785.db2.gz HGIGDFLIQDCXJJ-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)N1C(=O)c2ccc(N)cc2C1=O ZINC000020244443 168287575 /nfs/dbraw/zinc/28/75/75/168287575.db2.gz IMXZLKPYRMVXST-UHFFFAOYSA-N 0 0 232.283 2.053 10 0 BEAERN CCC(C)(C)NC(=O)NCCOC(F)(F)F ZINC000352377252 168293046 /nfs/dbraw/zinc/29/30/46/168293046.db2.gz AXISHAREJMFQDH-UHFFFAOYSA-N 0 0 242.241 2.011 10 0 BEAERN CCC(C)(C)NC(=O)[C@H](C)NCc1ccco1 ZINC000034938490 168295262 /nfs/dbraw/zinc/29/52/62/168295262.db2.gz ABCZGMOSHLVSFR-JTQLQIEISA-N 0 0 238.331 2.063 10 0 BEAERN CCC(C)(C)Nc1ncnc(Cl)c1N ZINC000062362428 168303324 /nfs/dbraw/zinc/30/33/24/168303324.db2.gz HZSIJXRYHAVHIW-UHFFFAOYSA-N 0 0 214.700 2.313 10 0 BEAERN CCC(C)(CC)NC(=O)CC1CCOCC1 ZINC000117147134 168307409 /nfs/dbraw/zinc/30/74/09/168307409.db2.gz BNODMNYWOCDBIM-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN CCC(C)(CC)NC(=O)Nc1ccnn1C ZINC000125673992 168308975 /nfs/dbraw/zinc/30/89/75/168308975.db2.gz PZSNTOGDYJRJJI-UHFFFAOYSA-N 0 0 224.308 2.120 10 0 BEAERN Cc1cnc(N[C@@H]2CNc3ccccc3C2)nc1 ZINC000404454276 411397768 /nfs/dbraw/zinc/39/77/68/411397768.db2.gz UFIVJFKRHWKCEN-LBPRGKRZSA-N 0 0 240.310 2.234 10 0 BEAERN COc1ccnc(C(=O)N[C@H](C)C(C)(C)C)c1 ZINC000116024878 411400423 /nfs/dbraw/zinc/40/04/23/411400423.db2.gz VGVKLDAJSCKOJD-SECBINFHSA-N 0 0 236.315 2.255 10 0 BEAERN CC1(C2(NC(=O)[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000398292012 411401256 /nfs/dbraw/zinc/40/12/56/411401256.db2.gz ZHAWVWUBERUAQX-JGPRNRPPSA-N 0 0 219.328 2.481 10 0 BEAERN Cc1c(CNc2cc(C)cnc2C)cnn1C ZINC000404657893 411403351 /nfs/dbraw/zinc/40/33/51/411403351.db2.gz QBUCYTMURXFYGM-UHFFFAOYSA-N 0 0 230.315 2.352 10 0 BEAERN CCN(C[C@@H]1CCCO1)c1cccc(N)c1 ZINC000042467833 169887800 /nfs/dbraw/zinc/88/78/00/169887800.db2.gz YQTYCDCSWABXEC-ZDUSSCGKSA-N 0 0 220.316 2.274 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@H]2CCCO2)n1 ZINC000122358535 411430331 /nfs/dbraw/zinc/43/03/31/411430331.db2.gz MNMXYSLQDAPKQK-LLVKDONJSA-N 0 0 235.331 2.499 10 0 BEAERN Cc1cc(C(C)C)nc(NCC2CC(O)C2)n1 ZINC000122485185 411433846 /nfs/dbraw/zinc/43/38/46/411433846.db2.gz XLIXHHIURQYUFL-UHFFFAOYSA-N 0 0 235.331 2.091 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H](C)C[C@@H](C)O)n1 ZINC000122512179 411434607 /nfs/dbraw/zinc/43/46/07/411434607.db2.gz YKWJHOZOUBEXSN-GXSJLCMTSA-N 0 0 237.347 2.480 10 0 BEAERN CCN(Cc1cccc(C)c1)C(=O)CC(C)=O ZINC000037839286 169909569 /nfs/dbraw/zinc/90/95/69/169909569.db2.gz UQDOZUPJCIBRSQ-UHFFFAOYSA-N 0 0 233.311 2.323 10 0 BEAERN O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000216530408 411497581 /nfs/dbraw/zinc/49/75/81/411497581.db2.gz FACCUMLCBBAJBD-MGPQQGTHSA-N 0 0 247.338 2.403 10 0 BEAERN CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000659920940 411498963 /nfs/dbraw/zinc/49/89/63/411498963.db2.gz XYJDAOLZEGLXAA-RFQIPJPRSA-N 0 0 241.375 2.037 10 0 BEAERN CCNC(=O)CCOc1ccccc1C(=O)CC ZINC000051759619 170052741 /nfs/dbraw/zinc/05/27/41/170052741.db2.gz MEBSZLFEZZZLBO-UHFFFAOYSA-N 0 0 249.310 2.184 10 0 BEAERN CCNC(=O)CCOc1cc(C)ccc1C(C)=O ZINC000104329966 170053186 /nfs/dbraw/zinc/05/31/86/170053186.db2.gz XKPXZEMRTVHXKH-UHFFFAOYSA-N 0 0 249.310 2.103 10 0 BEAERN CCNC(=O)CNc1nc2cc(C)ccc2s1 ZINC000036779908 170068034 /nfs/dbraw/zinc/06/80/34/170068034.db2.gz JILHOAWKABAZIK-UHFFFAOYSA-N 0 0 249.339 2.153 10 0 BEAERN CCNC(=O)N(Cc1cccc(N)c1)C(C)C ZINC000035365543 170072773 /nfs/dbraw/zinc/07/27/73/170072773.db2.gz HCXJMEBVCHKNFA-UHFFFAOYSA-N 0 0 235.331 2.209 10 0 BEAERN CCNC(=O)Nc1ccc(N)cc1Cl ZINC000034978057 170084380 /nfs/dbraw/zinc/08/43/80/170084380.db2.gz DWYOSAZGAGQTFH-UHFFFAOYSA-N 0 0 213.668 2.064 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(C)ccc1C ZINC000020306553 170088945 /nfs/dbraw/zinc/08/89/45/170088945.db2.gz FSQWENWFJXHSEC-LLVKDONJSA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccccc1Cl ZINC000020306547 170089124 /nfs/dbraw/zinc/08/91/24/170089124.db2.gz NJQUUBWBGIRIPU-MRVPVSSYSA-N 0 0 226.707 2.277 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(C)ccc1F ZINC000020360162 170095545 /nfs/dbraw/zinc/09/55/45/170095545.db2.gz GOTVMUSHANOEDC-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@H](C)Sc1ccc(F)cc1N ZINC000037195112 170096689 /nfs/dbraw/zinc/09/66/89/170096689.db2.gz NHZZQHVBQUYMMU-ZETCQYMHSA-N 0 0 242.319 2.025 10 0 BEAERN CCNC(=O)[C@H](C)Oc1ccc(C(=O)CC)cc1 ZINC000020306894 170096696 /nfs/dbraw/zinc/09/66/96/170096696.db2.gz XKMOXGRNZVOUOS-JTQLQIEISA-N 0 0 249.310 2.183 10 0 BEAERN CCNC(=O)c1cc2cccc3c2n1CCS3 ZINC000064551720 170101104 /nfs/dbraw/zinc/10/11/04/170101104.db2.gz MWOOKGSPDHMPAQ-UHFFFAOYSA-N 0 0 246.335 2.497 10 0 BEAERN CCNC1(C(=O)OC)CCCCCCC1 ZINC000037446802 170108810 /nfs/dbraw/zinc/10/88/10/170108810.db2.gz HAZVRUOMNXNIEL-UHFFFAOYSA-N 0 0 213.321 2.252 10 0 BEAERN CC[NH2+]CCCNc1ccc(C)cc1C(=O)[O-] ZINC000052983162 170112857 /nfs/dbraw/zinc/11/28/57/170112857.db2.gz MDHSRURHKMLRHY-UHFFFAOYSA-N 0 0 236.315 2.105 10 0 BEAERN CC[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000037182029 170155082 /nfs/dbraw/zinc/15/50/82/170155082.db2.gz MIJMZIWNKYVRCD-LLVKDONJSA-N 0 0 245.681 2.388 10 0 BEAERN CC[NH2+][C@H]1c2cc(C)cc(OC)c2O[C@@H]1C ZINC000043633319 170169906 /nfs/dbraw/zinc/16/99/06/170169906.db2.gz DDVMHIOJKIOQAZ-BXKDBHETSA-N 0 0 221.300 2.435 10 0 BEAERN CCNc1c(F)cccc1C(=O)N(C)CC ZINC000054207204 170171484 /nfs/dbraw/zinc/17/14/84/170171484.db2.gz MDGMLZIRRXLNAF-UHFFFAOYSA-N 0 0 224.279 2.349 10 0 BEAERN CCNc1cc(Cl)ccc1-n1cncn1 ZINC000035036730 170171775 /nfs/dbraw/zinc/17/17/75/170171775.db2.gz KLUBSYSWOHAXON-UHFFFAOYSA-N 0 0 222.679 2.353 10 0 BEAERN CCNc1cc(COC)nc(-c2ccco2)n1 ZINC000051698103 170172144 /nfs/dbraw/zinc/17/21/44/170172144.db2.gz WNEFPMBMXHSEOK-UHFFFAOYSA-N 0 0 233.271 2.315 10 0 BEAERN CCNc1ccc(C(=O)NC(C)(C)C)cn1 ZINC000050724745 170173466 /nfs/dbraw/zinc/17/34/66/170173466.db2.gz INUIMGWWJLVECK-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCNc1ccnc(C(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000071211464 170175040 /nfs/dbraw/zinc/17/50/40/170175040.db2.gz JHFPGCKHFKIKJC-PWSUYJOCSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1nc(-c2ccccc2C)no1 ZINC000053750294 170175436 /nfs/dbraw/zinc/17/54/36/170175436.db2.gz UZIIHGJGUSBAJD-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1nc(CN(C)C)nc2sccc21 ZINC000050792929 170175961 /nfs/dbraw/zinc/17/59/61/170175961.db2.gz WTMNZNQEDKQTHZ-UHFFFAOYSA-N 0 0 236.344 2.185 10 0 BEAERN CCNc1nc(-c2cnn(C)c2)nc(CC)c1C ZINC000104166197 170176343 /nfs/dbraw/zinc/17/63/43/170176343.db2.gz DYDYTSVZOBYERI-UHFFFAOYSA-N 0 0 245.330 2.180 10 0 BEAERN CCOC(=N)[C@@H](O)c1ccc(Cl)cc1 ZINC000211758399 170180201 /nfs/dbraw/zinc/18/02/01/170180201.db2.gz WJXGFNVAIKLVLM-VIFPVBQESA-N 0 0 213.664 2.387 10 0 BEAERN CCOC(=O)C(F)(F)[C@H](F)C(F)(F)F ZINC000080440429 170188300 /nfs/dbraw/zinc/18/83/00/170188300.db2.gz NRYRDKRQQXUDBX-VKHMYHEASA-N 0 0 224.100 2.085 10 0 BEAERN CCOC(=O)C(F)(F)c1ccc(C)nc1 ZINC000062948443 170188703 /nfs/dbraw/zinc/18/87/03/170188703.db2.gz ZXADEANRRGOUFQ-UHFFFAOYSA-N 0 0 215.199 2.045 10 0 BEAERN CCOC(=O)C1=C(C(F)(F)F)OCCS1 ZINC000043464531 170191540 /nfs/dbraw/zinc/19/15/40/170191540.db2.gz YWIMWQSOMMWRMU-UHFFFAOYSA-N 0 0 242.218 2.087 10 0 BEAERN CCOC(=O)CCN[C@H](C)c1csc(C)n1 ZINC000045687728 170210153 /nfs/dbraw/zinc/21/01/53/170210153.db2.gz TZSLOUQXRGWVCO-MRVPVSSYSA-N 0 0 242.344 2.055 10 0 BEAERN CCOC(=O)CCNc1ccccc1COC ZINC000049508526 170210459 /nfs/dbraw/zinc/21/04/59/170210459.db2.gz MGFKVLXPCBWZOP-UHFFFAOYSA-N 0 0 237.299 2.198 10 0 BEAERN CCOC(=O)CN(C/C=C/Cl)C(C)(C)C ZINC000130781298 170216046 /nfs/dbraw/zinc/21/60/46/170216046.db2.gz ZDAALDLSLYTAJV-VOTSOKGWSA-N 0 0 233.739 2.403 10 0 BEAERN CCOC(=O)CNCc1c(F)cccc1Cl ZINC000037472493 170225154 /nfs/dbraw/zinc/22/51/54/170225154.db2.gz GHIZENRWXXJTBM-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CNCc1ccc(F)cc1Cl ZINC000037472671 170225426 /nfs/dbraw/zinc/22/54/26/170225426.db2.gz ZIVBVBLRHONANE-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000365798101 170226675 /nfs/dbraw/zinc/22/66/75/170226675.db2.gz ULCFVZCPSIDJBY-NWDGAFQWSA-N 0 0 225.332 2.108 10 0 BEAERN CCOC(=O)COc1cccc2c1CCCC2=O ZINC000034574930 170229423 /nfs/dbraw/zinc/22/94/23/170229423.db2.gz QYCAZEDDZVMHCU-UHFFFAOYSA-N 0 0 248.278 2.148 10 0 BEAERN CCOC(=O)COc1ccccc1[C@@H](O)CC ZINC000035625901 170229468 /nfs/dbraw/zinc/22/94/68/170229468.db2.gz HKTCSZKAEBWJMY-NSHDSACASA-N 0 0 238.283 2.072 10 0 BEAERN CCOC(=O)C[C@H]1CNc2ccccc21 ZINC000086560049 170234343 /nfs/dbraw/zinc/23/43/43/170234343.db2.gz DTSRJUYUJHDFEN-VIFPVBQESA-N 0 0 205.257 2.149 10 0 BEAERN CCOC(=O)Cc1nc2ccc(F)cc2o1 ZINC000075883721 170236662 /nfs/dbraw/zinc/23/66/62/170236662.db2.gz GJMVEQXLARSGAF-UHFFFAOYSA-N 0 0 223.203 2.073 10 0 BEAERN CCOC(=O)Cn1c(CC)nc2ccccc21 ZINC000040231201 170236706 /nfs/dbraw/zinc/23/67/06/170236706.db2.gz XLVQMOPOMQGSKK-UHFFFAOYSA-N 0 0 232.283 2.162 10 0 BEAERN CCOC(=O)N(C)[C@@H](C)c1cccc(N)c1 ZINC000036743777 170237583 /nfs/dbraw/zinc/23/75/83/170237583.db2.gz UBIYKBCDARFCRI-VIFPVBQESA-N 0 0 222.288 2.418 10 0 BEAERN CCOC(=O)N(C(N)=O)c1ccccc1Cl ZINC000002002225 170237768 /nfs/dbraw/zinc/23/77/68/170237768.db2.gz DIPOJLBMCDRHCA-UHFFFAOYSA-N 0 0 242.662 2.382 10 0 BEAERN CCOC(=O)Nc1c(C)ccc(N)c1C ZINC000019802880 170242907 /nfs/dbraw/zinc/24/29/07/170242907.db2.gz BHXSAWGJAJQUFG-UHFFFAOYSA-N 0 0 208.261 2.454 10 0 BEAERN CCOC(=O)Nc1ccc(Cl)cc1N ZINC000019275223 170243936 /nfs/dbraw/zinc/24/39/36/170243936.db2.gz KZIKRZFENSYCPU-UHFFFAOYSA-N 0 0 214.652 2.491 10 0 BEAERN CCOC(=O)Nc1ccc2c[nH]nc2c1 ZINC000042383613 170243754 /nfs/dbraw/zinc/24/37/54/170243754.db2.gz MVCQXWOABWHLKB-UHFFFAOYSA-N 0 0 205.217 2.131 10 0 BEAERN CCOC(=O)Nc1ccc(N)cc1Cl ZINC000019277729 170243805 /nfs/dbraw/zinc/24/38/05/170243805.db2.gz JYAOSUPLLMJOJV-UHFFFAOYSA-N 0 0 214.652 2.491 10 0 BEAERN CCOC(=O)[C@@H](C)N(CC)Cc1ccccc1 ZINC000043638528 170247139 /nfs/dbraw/zinc/24/71/39/170247139.db2.gz YAGPUHHLLKYYQJ-GFCCVEGCSA-N 0 0 235.327 2.460 10 0 BEAERN CCOC(=O)[C@@H](N)c1cc(Cl)ccc1F ZINC000076134343 170253513 /nfs/dbraw/zinc/25/35/13/170253513.db2.gz MMRDLDXTICOJDZ-VIFPVBQESA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)[C@@H](N)c1c(C)cc(C)cc1C ZINC000023187647 170253733 /nfs/dbraw/zinc/25/37/33/170253733.db2.gz YNGLWZKCCVNKOT-LBPRGKRZSA-N 0 0 221.300 2.175 10 0 BEAERN CCOC(=O)[C@@H](Nc1ccccc1)[C@@H]1CCOC1 ZINC000037954278 170255471 /nfs/dbraw/zinc/25/54/71/170255471.db2.gz YFPFDNUHRDJBPM-YPMHNXCESA-N 0 0 249.310 2.067 10 0 BEAERN CCOC(=O)[C@@H](O)Cc1ccc(C(C)C)cc1 ZINC000076165514 170255625 /nfs/dbraw/zinc/25/56/25/170255625.db2.gz KMNHPJNRMASMJM-ZDUSSCGKSA-N 0 0 236.311 2.277 10 0 BEAERN CCOC(=O)C1=C(O)C[C@H](C(C)(C)C)C1 ZINC000325928397 170259760 /nfs/dbraw/zinc/25/97/60/170259760.db2.gz FRXDASMHSYVCHD-RKDXNWHRSA-N 0 0 212.289 2.191 10 0 BEAERN CCOC(=O)[C@@](C)(NC)c1ccc(C)c(C)c1 ZINC000037458728 170261879 /nfs/dbraw/zinc/26/18/79/170261879.db2.gz LQDVSHSDAZDGFG-AWEZNQCLSA-N 0 0 235.327 2.301 10 0 BEAERN CCOC(=O)[C@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116289089 170266355 /nfs/dbraw/zinc/26/63/55/170266355.db2.gz SUMGQCUWGSQVDU-WDEREUQCSA-N 0 0 237.299 2.368 10 0 BEAERN CCOC(=O)[C@H](C)N(C)c1ccc(C)cc1 ZINC000255187634 170266446 /nfs/dbraw/zinc/26/64/46/170266446.db2.gz FTLOJJPHBCZEQK-NSHDSACASA-N 0 0 221.300 2.383 10 0 BEAERN CCOC(=O)[C@H](NC)c1c(C)cccc1C ZINC000076187000 170276122 /nfs/dbraw/zinc/27/61/22/170276122.db2.gz WHRAAGMOHYMLRA-GFCCVEGCSA-N 0 0 221.300 2.127 10 0 BEAERN CCOC(=O)[C@H](N)c1ccccc1C(F)(F)F ZINC000033769440 170276430 /nfs/dbraw/zinc/27/64/30/170276430.db2.gz JYGLQSDPYOSSFT-SECBINFHSA-N 0 0 247.216 2.268 10 0 BEAERN CCOC(=O)[C@H](NC)c1cc(Cl)ccc1F ZINC000076186934 170276562 /nfs/dbraw/zinc/27/65/62/170276562.db2.gz LUJPWPGVZJTGBW-SNVBAGLBSA-N 0 0 245.681 2.303 10 0 BEAERN CCOC(=O)[C@H](N)c1ccc(F)c(Cl)c1 ZINC000076134583 170276587 /nfs/dbraw/zinc/27/65/87/170276587.db2.gz ILPVIVDXKNXLGF-SECBINFHSA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)[C@H](NC1CC1)c1ccccc1F ZINC000037514521 170277665 /nfs/dbraw/zinc/27/76/65/170277665.db2.gz WODHWRGLPCGECF-GFCCVEGCSA-N 0 0 237.274 2.182 10 0 BEAERN CCOC(=O)[C@H](O)c1ccccc1C(C)C ZINC000076163274 170278259 /nfs/dbraw/zinc/27/82/59/170278259.db2.gz HZHVSKBJGPSDCK-GFCCVEGCSA-N 0 0 222.284 2.407 10 0 BEAERN CCOC(=O)[C@](C)(CC(C)C)NCC1CC1 ZINC000037968075 170284148 /nfs/dbraw/zinc/28/41/48/170284148.db2.gz MEPMBPIXHLSZEN-ZDUSSCGKSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)c1nc(CC)[nH]c1C(F)(F)F ZINC000071654902 170286369 /nfs/dbraw/zinc/28/63/69/170286369.db2.gz CPGMEFZQZCVCFT-UHFFFAOYSA-N 0 0 236.193 2.168 10 0 BEAERN CCOC(=O)[C@]1(NCC2CC2)CCCC[C@H]1C ZINC000037968020 170286706 /nfs/dbraw/zinc/28/67/06/170286706.db2.gz SXDYVQQWDHXNOI-RISCZKNCSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)[C@]1(NCC2CC2)CCC[C@@H](C)C1 ZINC000037968028 170286814 /nfs/dbraw/zinc/28/68/14/170286814.db2.gz RCIRRBPFTIQMNK-RISCZKNCSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)c1c(C)nccc1Br ZINC000095642541 170287841 /nfs/dbraw/zinc/28/78/41/170287841.db2.gz YLQWMYIZFWWUAD-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN CCOC(=O)c1c(C)nc2cccc(F)c2c1N ZINC000013864110 170288205 /nfs/dbraw/zinc/28/82/05/170288205.db2.gz IUZLUPKKYDAWNH-UHFFFAOYSA-N 0 0 248.257 2.441 10 0 BEAERN CCOC(=O)c1cc(N)cc(C(F)(F)F)c1 ZINC000038976800 170292135 /nfs/dbraw/zinc/29/21/35/170292135.db2.gz VRDSJRSCKTXBNB-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(C)c1N ZINC000037475378 170292164 /nfs/dbraw/zinc/29/21/64/170292164.db2.gz INHQWSPQWGUYBT-UHFFFAOYSA-N 0 0 213.664 2.407 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(OC)c1N ZINC000071790463 170292257 /nfs/dbraw/zinc/29/22/57/170292257.db2.gz GHHMGDBOSHYGAZ-UHFFFAOYSA-N 0 0 229.663 2.108 10 0 BEAERN CCOC(=O)c1cc(F)c(F)c(N)c1Cl ZINC000062350431 170292431 /nfs/dbraw/zinc/29/24/31/170292431.db2.gz WRGHWRKYFABSHT-UHFFFAOYSA-N 0 0 235.617 2.377 10 0 BEAERN CCOC(=O)c1cc(OC)c(Cl)nc1C ZINC000090470647 170293354 /nfs/dbraw/zinc/29/33/54/170293354.db2.gz PYGCQYBXICOTCZ-UHFFFAOYSA-N 0 0 229.663 2.229 10 0 BEAERN CCOC(=O)c1cc2cccc(C)c2oc1=O ZINC000098178314 170293609 /nfs/dbraw/zinc/29/36/09/170293609.db2.gz YPPLTGLFILJRSN-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN CCOC(=O)c1cc2ccc(C)[nH]c-2n1 ZINC000095830279 170294023 /nfs/dbraw/zinc/29/40/23/170294023.db2.gz XRFNSZNNXBDWQA-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1ccc(Br)c(F)n1 ZINC000047203036 170294857 /nfs/dbraw/zinc/29/48/57/170294857.db2.gz WGXCYKJFGHPBMP-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ccc(N)c(NC(C)C)c1 ZINC000169056120 170296037 /nfs/dbraw/zinc/29/60/37/170296037.db2.gz JOYWDDRYKFMBOO-UHFFFAOYSA-N 0 0 222.288 2.266 10 0 BEAERN CCOC(=O)c1ccc(NC2CCC2)c(N)c1 ZINC000052214282 170296531 /nfs/dbraw/zinc/29/65/31/170296531.db2.gz LKPGURUDXMIQPJ-UHFFFAOYSA-N 0 0 234.299 2.410 10 0 BEAERN CCOC(=O)c1ccc(N[C@H]2C[C@@H]2C)nc1 ZINC000052291670 170296761 /nfs/dbraw/zinc/29/67/61/170296761.db2.gz OTRRLDNNKVTLLR-WPRPVWTQSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1cn(C(C)(C)C)nc1CC ZINC000039102504 170301039 /nfs/dbraw/zinc/30/10/39/170301039.db2.gz XLMUCQYZDBXYIB-UHFFFAOYSA-N 0 0 224.304 2.377 10 0 BEAERN CCOC(=O)c1cnc(Cl)c(Cl)c1N ZINC000090470866 170301240 /nfs/dbraw/zinc/30/12/40/170301240.db2.gz OSAXBQSKYSBZKI-UHFFFAOYSA-N 0 0 235.070 2.147 10 0 BEAERN CCOC(=O)c1cnc(C(C)C)nc1CC ZINC000015809880 170301560 /nfs/dbraw/zinc/30/15/60/170301560.db2.gz REKVVPBZBCTKII-UHFFFAOYSA-N 0 0 222.288 2.339 10 0 BEAERN CCOC(=O)c1nc(C)n(C2CC2)c1C ZINC000039105652 170306824 /nfs/dbraw/zinc/30/68/24/170306824.db2.gz CTJPCNMDFCTYBQ-UHFFFAOYSA-N 0 0 208.261 2.012 10 0 BEAERN CCOC(=O)c1nc(Cl)cc2cc[nH]c21 ZINC000089219588 170306988 /nfs/dbraw/zinc/30/69/88/170306988.db2.gz PQXRWLDJOLXXLL-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN CCOC(=O)c1nc2ccc(OC)cc2s1 ZINC000001513372 170307329 /nfs/dbraw/zinc/30/73/29/170307329.db2.gz NPDISFVHQWZGNA-UHFFFAOYSA-N 0 0 237.280 2.482 10 0 BEAERN CCOC(=O)c1ncsc1-c1cccn1C ZINC000083239040 170308704 /nfs/dbraw/zinc/30/87/04/170308704.db2.gz ZUKIEJRLAWVNTA-UHFFFAOYSA-N 0 0 236.296 2.325 10 0 BEAERN CCOC(=O)c1sc2c(c1N)CCCC2 ZINC000000226774 170310888 /nfs/dbraw/zinc/31/08/88/170310888.db2.gz LHYNHUFLJHBTSU-UHFFFAOYSA-N 0 0 225.313 2.386 10 0 BEAERN CCOCCCCNC(=O)N[C@@H](C)C(C)C ZINC000119720777 170368542 /nfs/dbraw/zinc/36/85/42/170368542.db2.gz FPAZSKQMYULINF-NSHDSACASA-N 0 0 230.352 2.147 10 0 BEAERN CCOCCCNc1ccc(SC)nn1 ZINC000301293663 170384099 /nfs/dbraw/zinc/38/40/99/170384099.db2.gz UWLDXNBHHRZXBE-UHFFFAOYSA-N 0 0 227.333 2.037 10 0 BEAERN CC(C)(C)c1cc(N[C@H]2CCC[C@H](O)C2)ncn1 ZINC000663394656 411647092 /nfs/dbraw/zinc/64/70/92/411647092.db2.gz YJIMBJKKABSAFN-QWRGUYRKSA-N 0 0 249.358 2.490 10 0 BEAERN CCOCCOc1ccc(N)c2cnccc12 ZINC000035333095 170423345 /nfs/dbraw/zinc/42/33/45/170423345.db2.gz YUYNBIOFDZALAR-UHFFFAOYSA-N 0 0 232.283 2.232 10 0 BEAERN CCCc1nccnc1N[C@H](C)Cn1ccnc1 ZINC000663386092 411644589 /nfs/dbraw/zinc/64/45/89/411644589.db2.gz AZVSSHLHONVVTD-LLVKDONJSA-N 0 0 245.330 2.126 10 0 BEAERN CCOCc1ccccc1NCC(OC)OC ZINC000104250159 170458757 /nfs/dbraw/zinc/45/87/57/170458757.db2.gz SVIBOFRLVVMZQW-UHFFFAOYSA-N 0 0 239.315 2.254 10 0 BEAERN CCCc1nccnc1NC[C@](C)(O)C1CC1 ZINC000663593716 411706750 /nfs/dbraw/zinc/70/67/50/411706750.db2.gz XKDPSLBZRTWKKW-ZDUSSCGKSA-N 0 0 235.331 2.002 10 0 BEAERN CCCc1nccnc1NC[C@@]1(C)CCOC1 ZINC000663602459 411708542 /nfs/dbraw/zinc/70/85/42/411708542.db2.gz CFHHYDFTBXJQMW-CYBMUJFWSA-N 0 0 235.331 2.268 10 0 BEAERN CCCc1nccnc1N[C@H](CC)CCO ZINC000663651794 411715508 /nfs/dbraw/zinc/71/55/08/411715508.db2.gz RAMWLYZZSBTHDJ-SNVBAGLBSA-N 0 0 223.320 2.002 10 0 BEAERN CCOc1cc(C)ccc1NC(=O)CC(C)=O ZINC000037790709 170520427 /nfs/dbraw/zinc/52/04/27/170520427.db2.gz FSUIYTIXNGGMRS-UHFFFAOYSA-N 0 0 235.283 2.311 10 0 BEAERN CCOc1cc(O)cc(OCC)c1C=O ZINC000039099723 170527612 /nfs/dbraw/zinc/52/76/12/170527612.db2.gz SBZPGAMKPAUSJL-UHFFFAOYSA-N 0 0 210.229 2.002 10 0 BEAERN CCOc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000171066030 170538112 /nfs/dbraw/zinc/53/81/12/170538112.db2.gz JBZLDURJGSZPEO-SKDRFNHKSA-N 0 0 219.284 2.224 10 0 BEAERN CCOc1cccc(NC[C@@H](C)C(=O)OC)c1 ZINC000049565851 170581376 /nfs/dbraw/zinc/58/13/76/170581376.db2.gz SJYYYYFZVUOMHF-SNVBAGLBSA-N 0 0 237.299 2.306 10 0 BEAERN CCCc1nccnc1NCc1ncoc1C ZINC000663753237 411739151 /nfs/dbraw/zinc/73/91/51/411739151.db2.gz IPZPYQBFYUGPFC-UHFFFAOYSA-N 0 0 232.287 2.338 10 0 BEAERN CCCc1nccnc1N[C@H](C)C[C@@H](C)O ZINC000663789338 411747579 /nfs/dbraw/zinc/74/75/79/411747579.db2.gz KDCCHWTYSWBROY-NXEZZACHSA-N 0 0 223.320 2.000 10 0 BEAERN CCOc1ncc2[nH]cnc2c1Br ZINC000089203326 170603336 /nfs/dbraw/zinc/60/33/36/170603336.db2.gz ZFVDYJFUSCLASM-UHFFFAOYSA-N 0 0 242.076 2.119 10 0 BEAERN CCS(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114499652 170614255 /nfs/dbraw/zinc/61/42/55/170614255.db2.gz QGXJHAAUUWQWCK-LBPRGKRZSA-N 0 0 243.372 2.158 10 0 BEAERN CCCc1nccnc1NC[C@H]1CC[C@H](O)C1 ZINC000663840205 411758705 /nfs/dbraw/zinc/75/87/05/411758705.db2.gz OFPIIURQTHBRQV-QWRGUYRKSA-N 0 0 235.331 2.002 10 0 BEAERN CCCc1nccnc1NCCC1CC(O)C1 ZINC000663843004 411759775 /nfs/dbraw/zinc/75/97/75/411759775.db2.gz SJXREIXVQLZVQB-UHFFFAOYSA-N 0 0 235.331 2.002 10 0 BEAERN Cc1ccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000663873018 411766947 /nfs/dbraw/zinc/76/69/47/411766947.db2.gz ULNUEQROERDQCA-ZSBIGDGJSA-N 0 0 235.331 2.401 10 0 BEAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000038066544 170756843 /nfs/dbraw/zinc/75/68/43/170756843.db2.gz AKMJGRMDZUQDFV-RNCFNFMXSA-N 0 0 249.310 2.135 10 0 BEAERN CCN1C[C@H](c2c[nH]nc2N)Cc2ccccc21 ZINC000616670726 411860273 /nfs/dbraw/zinc/86/02/73/411860273.db2.gz NRJPILAKHGFINX-LLVKDONJSA-N 0 0 242.326 2.158 10 0 BEAERN CCN1C[C@H](n2ccc(N)n2)Cc2ccccc21 ZINC000616669922 411860440 /nfs/dbraw/zinc/86/04/40/411860440.db2.gz KNAJBEQHHFEBJK-GFCCVEGCSA-N 0 0 242.326 2.089 10 0 BEAERN CC(C)CC[C@@H](C)NC(=O)c1ncccc1N ZINC000132342717 411898127 /nfs/dbraw/zinc/89/81/27/411898127.db2.gz WXBUCKJZEDWYTH-SNVBAGLBSA-N 0 0 235.331 2.218 10 0 BEAERN CC(C)c1nccnc1N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000664347552 411927429 /nfs/dbraw/zinc/92/74/29/411927429.db2.gz GXQBQYKKRQUJGE-GHMZBOCLSA-N 0 0 249.358 2.053 10 0 BEAERN CC[C@@H](COC)Nc1c(C)nn(CC)c1C ZINC000134511127 170849627 /nfs/dbraw/zinc/84/96/27/170849627.db2.gz RGTORKFLBGNOIL-NSHDSACASA-N 0 0 225.336 2.357 10 0 BEAERN CC[C@@H](NC(=O)c1cccnc1NC)C(C)C ZINC000050776971 170886191 /nfs/dbraw/zinc/88/61/91/170886191.db2.gz CDWWAMBLJXSOIH-LLVKDONJSA-N 0 0 235.331 2.288 10 0 BEAERN Nc1n[nH]cc1[C@H]1CCc2ccccc2N1 ZINC000616669017 411987763 /nfs/dbraw/zinc/98/77/63/411987763.db2.gz LTCVDBZIJAANMA-LLVKDONJSA-N 0 0 214.272 2.091 10 0 BEAERN OCC1CC(Nc2ncccc2C(F)(F)F)C1 ZINC000664646085 412004682 /nfs/dbraw/zinc/00/46/82/412004682.db2.gz WIOKUBWOJRBCDV-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CCC[C@H]([NH2+]C[C@@H](OC)C1CCCC1)C(=O)[O-] ZINC000662203615 412025011 /nfs/dbraw/zinc/02/50/11/412025011.db2.gz CUSYKHBEUZEODW-NWDGAFQWSA-N 0 0 243.347 2.035 10 0 BEAERN CC[C@@H]1CCN[C@@H](C(=O)OC2CCCC2)C1 ZINC000039102553 171026387 /nfs/dbraw/zinc/02/63/87/171026387.db2.gz NJQZMAWTCYUSQH-ZYHUDNBSSA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@@H]1CSC(NCc2cccc(C)n2)=[NH+]1 ZINC000051577191 171114614 /nfs/dbraw/zinc/11/46/14/171114614.db2.gz LUGCSYMDKHFJCR-SNVBAGLBSA-N 0 0 235.356 2.361 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nccn2nc(C)cc12 ZINC000229540376 171124491 /nfs/dbraw/zinc/12/44/91/171124491.db2.gz VQPBJRIPJVUSCS-ZJUUUORDSA-N 0 0 216.288 2.248 10 0 BEAERN CC[C@@](C)(O)CN1CCc2ccc(F)cc21 ZINC000189100380 171179357 /nfs/dbraw/zinc/17/93/57/171179357.db2.gz XYJCFXCOZZKGFX-CYBMUJFWSA-N 0 0 223.291 2.349 10 0 BEAERN CC[C@@]([NH2+]C)(C(=O)[O-])c1cccc(Cl)c1 ZINC000037180639 171193073 /nfs/dbraw/zinc/19/30/73/171193073.db2.gz OPYOUMZTFFXZBT-NSHDSACASA-N 0 0 227.691 2.249 10 0 BEAERN CC[C@@]1(c2ccccc2)C=CN(C)C1=O ZINC000039100695 171217126 /nfs/dbraw/zinc/21/71/26/171217126.db2.gz NXXNDOFAZGZKQQ-ZDUSSCGKSA-N 0 0 201.269 2.320 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)C1CCC(C)CC1 ZINC000042487888 171236801 /nfs/dbraw/zinc/23/68/01/171236801.db2.gz ITYSXEWYDOVTNG-VQXHTEKXSA-N 0 0 213.321 2.360 10 0 BEAERN CC[C@H](C)C(=O)N(C)Cc1cccc(N)c1 ZINC000035359798 171246513 /nfs/dbraw/zinc/24/65/13/171246513.db2.gz XVHJQRVLZMLQKP-JTQLQIEISA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124328851 171247631 /nfs/dbraw/zinc/24/76/31/171247631.db2.gz MXTSIPOTCMMDJN-NSHDSACASA-N 0 0 249.358 2.172 10 0 BEAERN CC[C@H](C)C(=O)N[C@@H](C)c1ccc(N)cc1 ZINC000037177430 171252786 /nfs/dbraw/zinc/25/27/86/171252786.db2.gz HEZYBGPTCIRQKT-UWVGGRQHSA-N 0 0 220.316 2.492 10 0 BEAERN CC[C@H](C)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000019390396 171253375 /nfs/dbraw/zinc/25/33/75/171253375.db2.gz HJVYJFCNGVOOJL-JQWIXIFHSA-N 0 0 232.327 2.186 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(N)ccc1OC ZINC000054466278 171283760 /nfs/dbraw/zinc/28/37/60/171283760.db2.gz GIXZDIUTECOXNN-VIFPVBQESA-N 0 0 236.315 2.053 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(N)cc1C ZINC000054466345 171283850 /nfs/dbraw/zinc/28/38/50/171283850.db2.gz XSWMJQOGDXEADR-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)CNC(=O)c1cnc(N)c(Cl)c1 ZINC000054492677 171283876 /nfs/dbraw/zinc/28/38/76/171283876.db2.gz CGJIQBSSOKKQCS-ZETCQYMHSA-N 0 0 241.722 2.093 10 0 BEAERN CC[C@H](C)N(C)Cc1nnc(C)n1C1CC1 ZINC000104688440 171309825 /nfs/dbraw/zinc/30/98/25/171309825.db2.gz ZZOMACHZRCTDLN-VIFPVBQESA-N 0 0 222.336 2.152 10 0 BEAERN CC[C@H](C)N(C)c1ccc(N)c2nonc21 ZINC000035675676 171310054 /nfs/dbraw/zinc/31/00/54/171310054.db2.gz CTTZOMGLOQIJLP-ZETCQYMHSA-N 0 0 220.276 2.040 10 0 BEAERN CC[C@H](C)N(CCOC)c1ccc(CO)cc1 ZINC000042586148 171315452 /nfs/dbraw/zinc/31/54/52/171315452.db2.gz ZRPYLCWWRQRJDA-LBPRGKRZSA-N 0 0 237.343 2.430 10 0 BEAERN CC[C@H](C)NC(=O)COc1ccc(NC)cc1 ZINC000038057118 171327336 /nfs/dbraw/zinc/32/73/36/171327336.db2.gz NOEZNBSZNLROFX-JTQLQIEISA-N 0 0 236.315 2.022 10 0 BEAERN CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1O ZINC000036896784 171335861 /nfs/dbraw/zinc/33/58/61/171335861.db2.gz GAGXPHRXJFPLOO-UWVGGRQHSA-N 0 0 237.299 2.074 10 0 BEAERN CC[C@H](C)NC(=S)NC(=O)c1cccs1 ZINC000010120599 171338087 /nfs/dbraw/zinc/33/80/87/171338087.db2.gz ZWXNBSSXWFMNBR-ZETCQYMHSA-N 0 0 242.369 2.151 10 0 BEAERN CC[C@H](C)[NH2+]Cc1ccccc1C(=O)[O-] ZINC000010474947 171344592 /nfs/dbraw/zinc/34/45/92/171344592.db2.gz GRWWULXRVBXUCS-VIFPVBQESA-N 0 0 207.273 2.273 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(C)cc1C ZINC000038065545 171348638 /nfs/dbraw/zinc/34/86/38/171348638.db2.gz NQWHABYWCJGJPS-WFASDCNBSA-N 0 0 248.370 2.392 10 0 BEAERN CC[C@H](C)Nc1ccc(C(=O)NC)cc1 ZINC000036957725 171349868 /nfs/dbraw/zinc/34/98/68/171349868.db2.gz PTCBVVMUCZRZIF-VIFPVBQESA-N 0 0 206.289 2.257 10 0 BEAERN CC[C@H](C)Nc1cccc(S(C)(=O)=O)c1 ZINC000037763327 171350060 /nfs/dbraw/zinc/35/00/60/171350060.db2.gz XQIKWCGYTOKZMZ-VIFPVBQESA-N 0 0 227.329 2.301 10 0 BEAERN CC[C@H](C)Nc1ccccc1S(C)(=O)=O ZINC000035098364 171350448 /nfs/dbraw/zinc/35/04/48/171350448.db2.gz AUOYPTXNMYLRSG-VIFPVBQESA-N 0 0 227.329 2.301 10 0 BEAERN CC[C@@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)CC ZINC000017949463 171350939 /nfs/dbraw/zinc/35/09/39/171350939.db2.gz MWJNGKOBSUBRNM-JKEVLIGASA-N 0 0 228.288 2.226 10 0 BEAERN CC[C@H](C)OCC(=O)Nc1ccc(F)cc1N ZINC000048263550 171354814 /nfs/dbraw/zinc/35/48/14/171354814.db2.gz QTFBFMRIBWRAIN-QMMMGPOBSA-N 0 0 240.278 2.162 10 0 BEAERN CC[C@H](C)OCCC(=O)Nc1ccccc1N ZINC000048263631 171355582 /nfs/dbraw/zinc/35/55/82/171355582.db2.gz OWUPPFDKHAUHKD-JTQLQIEISA-N 0 0 236.315 2.413 10 0 BEAERN CC[C@H](C)[C@@H](O)CNc1ccc(SC)nn1 ZINC000301271140 171378750 /nfs/dbraw/zinc/37/87/50/171378750.db2.gz NMDMPKHMCDFJHH-IUCAKERBSA-N 0 0 241.360 2.017 10 0 BEAERN CC[C@H](C)[C@H](C)Nc1ccc(=O)n(C)c1 ZINC000037785938 171391606 /nfs/dbraw/zinc/39/16/06/171391606.db2.gz QUYSJDRYHHMDRY-UWVGGRQHSA-N 0 0 208.305 2.232 10 0 BEAERN CC[C@H](CC(=O)NCc1ccnn1C)C(C)C ZINC000104244565 171421374 /nfs/dbraw/zinc/42/13/74/171421374.db2.gz FZLNFHHFJGOEKB-LLVKDONJSA-N 0 0 237.347 2.109 10 0 BEAERN CC[C@H](CO)Nc1ccc(Cl)cc1N ZINC000035600000 171454206 /nfs/dbraw/zinc/45/42/06/171454206.db2.gz SUIWJWKTWUIBAY-MRVPVSSYSA-N 0 0 214.696 2.105 10 0 BEAERN CC[C@H](O)CSc1ccc(F)cc1N ZINC000037689044 171579404 /nfs/dbraw/zinc/57/94/04/171579404.db2.gz XFAVNBBANVLZQD-QMMMGPOBSA-N 0 0 215.293 2.271 10 0 BEAERN CC[C@H](SC)C(=O)N[C@@H](C)C(C)C ZINC000124541816 171593297 /nfs/dbraw/zinc/59/32/97/171593297.db2.gz QDPFQGYQNNBANG-IUCAKERBSA-N 0 0 203.351 2.289 10 0 BEAERN CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(N)cn1C ZINC000042577210 171609507 /nfs/dbraw/zinc/60/95/07/171609507.db2.gz CFTUMSGPMVFTKS-JQWIXIFHSA-N 0 0 249.358 2.306 10 0 BEAERN CC[C@H]1CCCC[C@@H]1OCC(N)=S ZINC000019478229 171610651 /nfs/dbraw/zinc/61/06/51/171610651.db2.gz KSZAJNCZTHDHFF-IUCAKERBSA-N 0 0 201.335 2.258 10 0 BEAERN CC1(C)CCC(NC(=O)c2ncccc2N)CC1 ZINC000132727778 412229167 /nfs/dbraw/zinc/22/91/67/412229167.db2.gz LEQVJOBSVZYTPS-UHFFFAOYSA-N 0 0 247.342 2.362 10 0 BEAERN Nc1cccnc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000132751348 412249103 /nfs/dbraw/zinc/24/91/03/412249103.db2.gz MDZGIZQMUVVAMK-CMPLNLGQSA-N 0 0 245.326 2.069 10 0 BEAERN Nc1cccnc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000132750699 412249314 /nfs/dbraw/zinc/24/93/14/412249314.db2.gz MDZGIZQMUVVAMK-PWSUYJOCSA-N 0 0 245.326 2.069 10 0 BEAERN CC[C@](C)(CCO)Nc1cncc(Cl)n1 ZINC000227983861 171692070 /nfs/dbraw/zinc/69/20/70/171692070.db2.gz JNUKDTWXDUCRBK-SNVBAGLBSA-N 0 0 229.711 2.093 10 0 BEAERN CC[C@]1(C)NC(=O)Nc2sc(N)cc21 ZINC000107064404 171721934 /nfs/dbraw/zinc/72/19/34/171721934.db2.gz YHAFHIZTYRFDDY-VIFPVBQESA-N 0 0 211.290 2.091 10 0 BEAERN CCc1c(C)nc(-c2ccco2)nc1N ZINC000050866509 171740234 /nfs/dbraw/zinc/74/02/34/171740234.db2.gz MALVQSWMSUFZDF-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@H](CC)COC)o1 ZINC000127107430 171757517 /nfs/dbraw/zinc/75/75/17/171757517.db2.gz TXFSXMGVVVWTHG-SNVBAGLBSA-N 0 0 239.315 2.305 10 0 BEAERN CCc1cc(=S)[nH]c(-n2nc(C)cc2C)n1 ZINC000045956339 171773475 /nfs/dbraw/zinc/77/34/75/171773475.db2.gz BLUDWURFGHUVMY-UHFFFAOYSA-N 0 0 234.328 2.130 10 0 BEAERN CCc1ccc([C@H](C)NC(=O)CC(C)=O)cc1 ZINC000038012792 171838003 /nfs/dbraw/zinc/83/80/03/171838003.db2.gz CNFFJIKMPRKLFU-NSHDSACASA-N 0 0 233.311 2.405 10 0 BEAERN CCc1ccc2[nH]c(=NN)cc(C)c2c1 ZINC000040175120 171851916 /nfs/dbraw/zinc/85/19/16/171851916.db2.gz LUCOEKJCVJPHGJ-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN CCc1nc(Cc2csc(C)n2)nc(N)c1C ZINC000104162108 171994336 /nfs/dbraw/zinc/99/43/36/171994336.db2.gz TXAZHYFLKKQGMD-UHFFFAOYSA-N 0 0 248.355 2.285 10 0 BEAERN CCc1nc(Nc2ccccc2)[nH]c(=O)c1C ZINC000057330686 172001310 /nfs/dbraw/zinc/00/13/10/172001310.db2.gz FYVOZZJAWQEVEQ-UHFFFAOYSA-N 0 0 229.283 2.384 10 0 BEAERN CCc1nc([C@H](N)c2cccnc2)sc1C ZINC000041060248 172007406 /nfs/dbraw/zinc/00/74/06/172007406.db2.gz KGVSUTKBUKFQSZ-LLVKDONJSA-N 0 0 233.340 2.457 10 0 BEAERN CCc1nc2ccc(Cl)cc2n1CCO ZINC000040400983 172012694 /nfs/dbraw/zinc/01/26/94/172012694.db2.gz FRKALBZZPNWKAR-UHFFFAOYSA-N 0 0 224.691 2.244 10 0 BEAERN CCc1nc2ccccc2n1CCC(N)=S ZINC000057866073 172013629 /nfs/dbraw/zinc/01/36/29/172013629.db2.gz GLSHTGWUVHCGJM-UHFFFAOYSA-N 0 0 233.340 2.275 10 0 BEAERN CCc1nccn1Cc1ccccc1N ZINC000042419580 172026741 /nfs/dbraw/zinc/02/67/41/172026741.db2.gz KUJFVQBWPCOKIU-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN CCc1nccn1[C@H](C)C(=O)NCCC(C)C ZINC000104301592 172030144 /nfs/dbraw/zinc/03/01/44/172030144.db2.gz OKEBZLLTCCWOAK-LLVKDONJSA-N 0 0 237.347 2.169 10 0 BEAERN CCc1nnc(-c2ccc(N)cc2C)o1 ZINC000044749605 172045530 /nfs/dbraw/zinc/04/55/30/172045530.db2.gz LEHQUUVONYTNRG-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nnsc1C(=O)N[C@H](C)CC1CC1 ZINC000112603443 172071096 /nfs/dbraw/zinc/07/10/96/172071096.db2.gz XTWGNGQRQRNAGG-SSDOTTSWSA-N 0 0 239.344 2.019 10 0 BEAERN CCc1noc(-c2cccc(N)c2C)n1 ZINC000045894355 172072536 /nfs/dbraw/zinc/07/25/36/172072536.db2.gz ILCYWPBJIQGRFN-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1oc(C(=O)NCC2CC2)cc1C ZINC000119980970 172110108 /nfs/dbraw/zinc/11/01/08/172110108.db2.gz HEHCQPPWGNDIJF-UHFFFAOYSA-N 0 0 207.273 2.290 10 0 BEAERN CCc1oc(C(=O)NCCCCOC)cc1C ZINC000122885462 172110915 /nfs/dbraw/zinc/11/09/15/172110915.db2.gz UBVVTHCTQTYZAI-UHFFFAOYSA-N 0 0 239.315 2.307 10 0 BEAERN CCc1oc(C(=O)NCC[C@H](O)CC)cc1C ZINC000125202056 172111140 /nfs/dbraw/zinc/11/11/40/172111140.db2.gz GFCBWXPRTLDJCN-SNVBAGLBSA-N 0 0 239.315 2.041 10 0 BEAERN CCc1oc(C(=O)Nc2cnn(C)c2)cc1C ZINC000122142766 172111179 /nfs/dbraw/zinc/11/11/79/172111179.db2.gz IWMULZDMBOURBE-UHFFFAOYSA-N 0 0 233.271 2.136 10 0 BEAERN CCc1oc2ccccc2c1C(=N)NO ZINC000022145683 172112687 /nfs/dbraw/zinc/11/26/87/172112687.db2.gz ANLQQUZJPSPFMR-UHFFFAOYSA-N 0 0 204.229 2.299 10 0 BEAERN CCn1c(=O)cc(S)c2ccccc21 ZINC000100258757 172131676 /nfs/dbraw/zinc/13/16/76/172131676.db2.gz HPIJROHBQWSEPS-UHFFFAOYSA-N 0 0 205.282 2.310 10 0 BEAERN CCn1c(C)nnc1-c1cccc(C)c1N ZINC000042029897 172139094 /nfs/dbraw/zinc/13/90/94/172139094.db2.gz KOZJYPOCYXZFQE-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1c(C)nnc1CN(C#N)c1ccccc1 ZINC000175754464 172139506 /nfs/dbraw/zinc/13/95/06/172139506.db2.gz GZZRUHZJWMDDCQ-UHFFFAOYSA-N 0 0 241.298 2.094 10 0 BEAERN CCn1c(C)nnc1COc1cccc(OC)c1 ZINC000180310478 172140299 /nfs/dbraw/zinc/14/02/99/172140299.db2.gz MTQGFJWDUXDQKK-UHFFFAOYSA-N 0 0 247.298 2.194 10 0 BEAERN CCn1c(C2CC2)c(N)c(=O)n1[C@H](C)C1CC1 ZINC000103954541 172142576 /nfs/dbraw/zinc/14/25/76/172142576.db2.gz IRDKXODYHTVPBI-MRVPVSSYSA-N 0 0 235.331 2.100 10 0 BEAERN CCn1c(SC)nc2c(c1=O)S[C@@H](C)C2 ZINC000000250285 172146992 /nfs/dbraw/zinc/14/69/92/172146992.db2.gz IRMIZNRQPBOURR-LURJTMIESA-N 0 0 242.369 2.022 10 0 BEAERN CCn1cc(CSc2ccc(N)cn2)cn1 ZINC000050540103 172176655 /nfs/dbraw/zinc/17/66/55/172176655.db2.gz ZNUVYRMCKQDZKT-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1cc(N)cc1C(=O)N(CC1CC1)C(C)C ZINC000042561921 172177883 /nfs/dbraw/zinc/17/78/83/172177883.db2.gz PKHGDSYOBLDGLM-UHFFFAOYSA-N 0 0 249.358 2.351 10 0 BEAERN CCn1cc(NC(=O)Nc2cccc(N)c2)cn1 ZINC000035781891 172181488 /nfs/dbraw/zinc/18/14/88/172181488.db2.gz KPLIEONJCOBPQL-UHFFFAOYSA-N 0 0 245.286 2.129 10 0 BEAERN CCn1cc(N[C@@H](C)C2CC2)ccc1=O ZINC000037773651 172186845 /nfs/dbraw/zinc/18/68/45/172186845.db2.gz JSHBQIASIJPKLG-VIFPVBQESA-N 0 0 206.289 2.079 10 0 BEAERN CCn1cc(N[C@H](C)C2(C)CC2)ccc1=O ZINC000037774136 172187782 /nfs/dbraw/zinc/18/77/82/172187782.db2.gz SZLRTORBMBHQQA-SNVBAGLBSA-N 0 0 220.316 2.469 10 0 BEAERN CCn1cccc1C(=O)Nc1cccc(CO)c1 ZINC000038003736 172203459 /nfs/dbraw/zinc/20/34/59/172203459.db2.gz SBPPWRZVTRZLTC-UHFFFAOYSA-N 0 0 244.294 2.253 10 0 BEAERN CCn1ccnc1C(=O)c1ccc(C)nc1C ZINC000055331660 172217223 /nfs/dbraw/zinc/21/72/23/172217223.db2.gz PYLBXSHZRHWIEA-UHFFFAOYSA-N 0 0 229.283 2.146 10 0 BEAERN CCn1ccnc1Oc1ccc(N)cc1F ZINC000050614336 172228615 /nfs/dbraw/zinc/22/86/15/172228615.db2.gz IFSMMVDOUDJODP-UHFFFAOYSA-N 0 0 221.235 2.417 10 0 BEAERN CCn1ccnc1[C@@H](O)c1cccc(F)c1F ZINC000054214772 172229286 /nfs/dbraw/zinc/22/92/86/172229286.db2.gz WASRDJXKPQBTCS-NSHDSACASA-N 0 0 238.237 2.263 10 0 BEAERN CCn1ccnc1[C@H](N)c1ccc(C)s1 ZINC000041048462 172229982 /nfs/dbraw/zinc/22/99/82/172229982.db2.gz PNPIFUCGBUHBFK-SNVBAGLBSA-N 0 0 221.329 2.321 10 0 BEAERN CCn1cnc(-c2ccc(OC)cc2)c1N ZINC000105014628 172230390 /nfs/dbraw/zinc/23/03/90/172230390.db2.gz QVLYJDCNEGUQFT-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1cnc(-c2ccc(OC)c(C)c2)c1N ZINC000103484928 172230833 /nfs/dbraw/zinc/23/08/33/172230833.db2.gz BZQPRNUUTVZVND-UHFFFAOYSA-N 0 0 231.299 2.469 10 0 BEAERN CCn1nc(-c2ccc(C)cc2)cc1N ZINC000041043645 172240086 /nfs/dbraw/zinc/24/00/86/172240086.db2.gz OHRHNBBBFFCUBK-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1nc(-c2cccc(F)c2)cc1N ZINC000041043646 172240499 /nfs/dbraw/zinc/24/04/99/172240499.db2.gz OBCMVQSZXWNVLF-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1nc(-c2ccc(OC)cc2)cc1N ZINC000041043629 172240791 /nfs/dbraw/zinc/24/07/91/172240791.db2.gz VSNZMBJFSQVIRT-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1nc(-c2ccccc2OC)cc1N ZINC000041043637 172241402 /nfs/dbraw/zinc/24/14/02/172241402.db2.gz QYFNNEUZUGIWIB-UHFFFAOYSA-N 0 0 217.272 2.161 10 0 BEAERN CCn1nc(Cc2ccccc2)c2c1NCC2 ZINC000003707759 172250200 /nfs/dbraw/zinc/25/02/00/172250200.db2.gz NWMKCFFYZGHCFX-UHFFFAOYSA-N 0 0 227.311 2.462 10 0 BEAERN CCn1nccc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330258121 172275338 /nfs/dbraw/zinc/27/53/38/172275338.db2.gz RBOCWJGJYWZERC-MNOVXSKESA-N 0 0 248.330 2.309 10 0 BEAERN CN(C(=O)CNc1ccccc1)c1ccccn1 ZINC000037635124 172311319 /nfs/dbraw/zinc/31/13/19/172311319.db2.gz PGGLYTUPAPLDPF-UHFFFAOYSA-N 0 0 241.294 2.157 10 0 BEAERN CN(C(=O)c1ccc(Cl)cc1N)C1CC1 ZINC000037080348 172340099 /nfs/dbraw/zinc/34/00/99/172340099.db2.gz GQIGZKIAYCDYCW-UHFFFAOYSA-N 0 0 224.691 2.157 10 0 BEAERN CN(C)C(=O)CSc1ccc(N)cc1Cl ZINC000037205030 172373904 /nfs/dbraw/zinc/37/39/04/172373904.db2.gz INFAAKXBCMYFQA-UHFFFAOYSA-N 0 0 244.747 2.103 10 0 BEAERN CN(C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000115363694 172377611 /nfs/dbraw/zinc/37/76/11/172377611.db2.gz UGGWKCCBFQGDHI-VIFPVBQESA-N 0 0 239.344 2.352 10 0 BEAERN CN(C)C(=O)Oc1nsnc1-c1ccccc1 ZINC000006426114 172384432 /nfs/dbraw/zinc/38/44/32/172384432.db2.gz XYDNQYHHOVROME-UHFFFAOYSA-N 0 0 249.295 2.266 10 0 BEAERN CN(C)C(=S)/C=C\c1ccc2c(c1)OCO2 ZINC000083310106 172393481 /nfs/dbraw/zinc/39/34/81/172393481.db2.gz LHHXEAFYCVPMNW-XQRVVYSFSA-N 0 0 235.308 2.318 10 0 BEAERN CN(C)Cc1nc(-c2cccc(N)c2)cs1 ZINC000041046544 172506437 /nfs/dbraw/zinc/50/64/37/172506437.db2.gz PRZQWDPJJIRGMM-UHFFFAOYSA-N 0 0 233.340 2.454 10 0 BEAERN CN(C)c1ccc2c(C=O)cn(C)c2c1 ZINC000075127165 172562505 /nfs/dbraw/zinc/56/25/05/172562505.db2.gz LDNBNSVOKUKNRK-UHFFFAOYSA-N 0 0 202.257 2.057 10 0 BEAERN CN(CC1CC(O)C1)C(=O)[C@@H]1CCCC1(C)C ZINC000226322486 172646595 /nfs/dbraw/zinc/64/65/95/172646595.db2.gz ZUWAPIOXRWAWNP-MCIGGMRASA-N 0 0 239.359 2.042 10 0 BEAERN CN1c2ccc([C@@H](O)C(C)(C)C)cc2CC1=O ZINC000040256908 172967699 /nfs/dbraw/zinc/96/76/99/172967699.db2.gz LIMZFWAHUFNYNG-CYBMUJFWSA-N 0 0 233.311 2.285 10 0 BEAERN C[N@@H+]1CCC[C@@H]1CCOc1ccc(C(=O)[O-])cc1 ZINC000050912907 173028758 /nfs/dbraw/zinc/02/87/58/173028758.db2.gz BPOVAISZUYXVDE-GFCCVEGCSA-N 0 0 249.310 2.248 10 0 BEAERN C[N@@H+]1CC[C@@H](c2c[nH]c3cccc(O)c32)C1 ZINC000013801323 173127350 /nfs/dbraw/zinc/12/73/50/173127350.db2.gz DZKMCQNELDTDGP-SECBINFHSA-N 0 0 216.284 2.293 10 0 BEAERN CN1CCc2c(Br)ccc(N)c2C1 ZINC000082306241 173167342 /nfs/dbraw/zinc/16/73/42/173167342.db2.gz GUDCJDUXUKXRBR-UHFFFAOYSA-N 0 0 241.132 2.019 10 0 BEAERN CN1CCc2cccc(Br)c21 ZINC000082372915 173171308 /nfs/dbraw/zinc/17/13/08/173171308.db2.gz OYUZHJRNIYATQD-UHFFFAOYSA-N 0 0 212.090 2.441 10 0 BEAERN CNC(=O)CNc1ccc(C)c(C(F)(F)F)c1 ZINC000049956714 173278423 /nfs/dbraw/zinc/27/84/23/173278423.db2.gz CBRNHGJVFUNQKH-UHFFFAOYSA-N 0 0 246.232 2.172 10 0 BEAERN CNC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000048922919 173292811 /nfs/dbraw/zinc/29/28/11/173292811.db2.gz VJNHXGVMEORPGJ-JTQLQIEISA-N 0 0 224.691 2.256 10 0 BEAERN CNC(=O)Oc1cccc2c1CCS2 ZINC000200293474 173293317 /nfs/dbraw/zinc/29/33/17/173293317.db2.gz ANXWDZCMPCTGIM-UHFFFAOYSA-N 0 0 209.270 2.053 10 0 BEAERN CNC(=O)Oc1cccc2ccc(C)nc21 ZINC000013208854 173293459 /nfs/dbraw/zinc/29/34/59/173293459.db2.gz VJTZIJOEPIURRT-UHFFFAOYSA-N 0 0 216.240 2.261 10 0 BEAERN CNC(=O)c1cc(Cc2ccccc2)sc1N ZINC000103730299 173309560 /nfs/dbraw/zinc/30/95/60/173309560.db2.gz HHWORKPPJMSXNV-UHFFFAOYSA-N 0 0 246.335 2.281 10 0 BEAERN CNC(=O)c1cc(SC)ccc1OC1CC1 ZINC000095713720 173309756 /nfs/dbraw/zinc/30/97/56/173309756.db2.gz FQGWVQZYOKWAHH-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1cc(NCC2CCCCC2)ccn1 ZINC000025066545 173310001 /nfs/dbraw/zinc/31/00/01/173310001.db2.gz AMBIWTAZGWFWER-UHFFFAOYSA-N 0 0 247.342 2.433 10 0 BEAERN CNC(=O)c1ccc(C(C)(C)C)c(O)c1 ZINC000095712259 173310310 /nfs/dbraw/zinc/31/03/10/173310310.db2.gz CVNPVZCQNCTLNX-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1ccc(NC2CCCC2)cc1 ZINC000036957622 173310738 /nfs/dbraw/zinc/31/07/38/173310738.db2.gz CRUZMLKKJGKCMD-UHFFFAOYSA-N 0 0 218.300 2.401 10 0 BEAERN CNC(C)(C)C(=O)OC1CCC(C)CC1 ZINC000061171906 173319492 /nfs/dbraw/zinc/31/94/92/173319492.db2.gz ONLAAVXFWQWHDD-UHFFFAOYSA-N 0 0 213.321 2.106 10 0 BEAERN CNC(C)(C)C(=O)OC1CCCCCC1 ZINC000061172157 173319641 /nfs/dbraw/zinc/31/96/41/173319641.db2.gz MJZSMKLTXRUUDW-UHFFFAOYSA-N 0 0 213.321 2.250 10 0 BEAERN CNc1ccc(C(=O)NCCC2CCCC2)cn1 ZINC000050770682 173476561 /nfs/dbraw/zinc/47/65/61/173476561.db2.gz WMHHCSRCQZRKKA-UHFFFAOYSA-N 0 0 247.342 2.433 10 0 BEAERN CNc1nc(N)cc(-c2cccc(Cl)c2)n1 ZINC000044263758 173487392 /nfs/dbraw/zinc/48/73/92/173487392.db2.gz VHWZHUVJXUWYRM-UHFFFAOYSA-N 0 0 234.690 2.421 10 0 BEAERN CNc1nc2c(ccc3ncccc23)n1C ZINC000013282262 173487990 /nfs/dbraw/zinc/48/79/90/173487990.db2.gz KDCAXDISXLLBJE-UHFFFAOYSA-N 0 0 212.256 2.163 10 0 in-vitro BEAERN CNc1nccc(Oc2ccc(O)cc2)n1 ZINC000139064241 173488574 /nfs/dbraw/zinc/48/85/74/173488574.db2.gz JICHVGJUBRFWIN-UHFFFAOYSA-N 0 0 217.228 2.016 10 0 BEAERN CNc1ncccc1C(=O)Nc1ccccc1 ZINC000050724220 173488742 /nfs/dbraw/zinc/48/87/42/173488742.db2.gz FULVHNDMIKYPJD-UHFFFAOYSA-N 0 0 227.267 2.376 10 0 BEAERN COC(=O)C1(NC(C)C)CCCCCC1 ZINC000037445761 173514481 /nfs/dbraw/zinc/51/44/81/173514481.db2.gz POGLDVBIYWBZSE-UHFFFAOYSA-N 0 0 213.321 2.250 10 0 BEAERN COC(=O)CCCNc1ccccc1N(C)C ZINC000082711622 173543333 /nfs/dbraw/zinc/54/33/33/173543333.db2.gz HOUMOFGYBFXOSI-UHFFFAOYSA-N 0 0 236.315 2.118 10 0 BEAERN COC(=O)CSc1cccc(Cl)c1N ZINC000082298309 173617251 /nfs/dbraw/zinc/61/72/51/173617251.db2.gz ISNHPGFTAKLXHH-UHFFFAOYSA-N 0 0 231.704 2.187 10 0 BEAERN COC(=O)Cc1csc(-c2ccc(N)cc2)n1 ZINC000076856737 173643252 /nfs/dbraw/zinc/64/32/52/173643252.db2.gz QDMXXYQFQCSGPQ-UHFFFAOYSA-N 0 0 248.307 2.108 10 0 BEAERN COC(=O)[C@@H](C)Nc1ccc(F)cc1C ZINC000048484910 173692285 /nfs/dbraw/zinc/69/22/85/173692285.db2.gz SBVFQOLQSSRKMI-MRVPVSSYSA-N 0 0 211.236 2.108 10 0 BEAERN COC(=O)[C@H](C(C)C)n1c(C)ccc1C ZINC000043437051 173762644 /nfs/dbraw/zinc/76/26/44/173762644.db2.gz MAXJHEGEOJWPNZ-NSHDSACASA-N 0 0 209.289 2.475 10 0 BEAERN COC(=O)[C@H](C)C(=O)C1(c2ccccc2)CC1 ZINC000062782053 173762764 /nfs/dbraw/zinc/76/27/64/173762764.db2.gz XACJYCHSKGPZAV-SNVBAGLBSA-N 0 0 232.279 2.096 10 0 BEAERN COC(=O)[C@H](C)C[C@H](O)c1ccc(C)c(F)c1 ZINC000104342533 173773307 /nfs/dbraw/zinc/77/33/07/173773307.db2.gz SGEYQPJVZZGLIN-SKDRFNHKSA-N 0 0 240.274 2.367 10 0 BEAERN COC(=O)[C@H](NCC(C)C)c1ccc(C)cc1 ZINC000037965933 173803066 /nfs/dbraw/zinc/80/30/66/173803066.db2.gz WEGNPVSDWOCPBI-CYBMUJFWSA-N 0 0 235.327 2.455 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109153622 173826816 /nfs/dbraw/zinc/82/68/16/173826816.db2.gz KFESTBSZFJPKJP-SFYZADRCSA-N 0 0 212.195 2.241 10 0 BEAERN COC(=O)[C@](C)(CC(C)C)NCC(F)(F)F ZINC000037973393 173831355 /nfs/dbraw/zinc/83/13/55/173831355.db2.gz HLWXEJZCSNAIHT-VIFPVBQESA-N 0 0 241.253 2.116 10 0 BEAERN COC(=O)c1c(Cl)nc(C)c(C)c1OC ZINC000065739255 173843480 /nfs/dbraw/zinc/84/34/80/173843480.db2.gz DKEGJYCVRWYPGT-UHFFFAOYSA-N 0 0 229.663 2.147 10 0 in-vitro BEAERN COC(=O)c1cc(Cl)cc(C(C)=O)c1 ZINC000075852230 173858396 /nfs/dbraw/zinc/85/83/96/173858396.db2.gz OPXFSTSZIWQYLG-UHFFFAOYSA-N 0 0 212.632 2.329 10 0 BEAERN COC(=O)c1cc2c(cncc2SC)[nH]1 ZINC000100410385 173862905 /nfs/dbraw/zinc/86/29/05/173862905.db2.gz IHUCHDUNEAQHSH-UHFFFAOYSA-N 0 0 222.269 2.071 10 0 BEAERN COC(=O)c1cc2sc(OC)nc2s1 ZINC000095883899 173864472 /nfs/dbraw/zinc/86/44/72/173864472.db2.gz KVUUWIPGVZYDLL-UHFFFAOYSA-N 0 0 229.282 2.153 10 0 BEAERN COC(=O)c1ccc2c(N)cccc2c1 ZINC000039084955 173888664 /nfs/dbraw/zinc/88/86/64/173888664.db2.gz FQINCIUCUPLHKP-UHFFFAOYSA-N 0 0 201.225 2.209 10 0 BEAERN COC(=O)c1ccc([C@H](C)C[C@H](C)O)cc1 ZINC000135918849 173888730 /nfs/dbraw/zinc/88/87/30/173888730.db2.gz GTQKFKYFPLSKFO-ZJUUUORDSA-N 0 0 222.284 2.348 10 0 BEAERN COC(=O)c1cccc([C@H](N)C(F)(F)F)c1 ZINC000072195044 173896737 /nfs/dbraw/zinc/89/67/37/173896737.db2.gz ODJQEJKSUUUMDV-QMMMGPOBSA-N 0 0 233.189 2.035 10 0 BEAERN COC(=O)c1nc(-c2ccc(OC)cc2)oc1C ZINC000095835986 173915292 /nfs/dbraw/zinc/91/52/92/173915292.db2.gz WQFLVVIMDAZCQF-UHFFFAOYSA-N 0 0 247.250 2.445 10 0 BEAERN COC(=O)c1nc2ccsc2c(Cl)n1 ZINC000095830762 173915821 /nfs/dbraw/zinc/91/58/21/173915821.db2.gz FVJHQTIEVGKCCG-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN COC(CNc1ccc(OC(F)F)cc1)OC ZINC000104242522 173962905 /nfs/dbraw/zinc/96/29/05/173962905.db2.gz IPQTZBZBCJXHAS-UHFFFAOYSA-N 0 0 247.241 2.319 10 0 BEAERN COC1=CC(=CN=O)NC(c2ccccn2)=C1 ZINC000104031202 174013479 /nfs/dbraw/zinc/01/34/79/174013479.db2.gz IPIFYDJKEIWQCW-HJWRWDBZSA-N 0 0 229.239 2.164 10 0 BEAERN COC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000074827213 174027134 /nfs/dbraw/zinc/02/71/34/174027134.db2.gz SFEUZBZPEVQPLE-UHFFFAOYSA-N 0 0 249.310 2.434 10 0 BEAERN COCC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000041575383 174055046 /nfs/dbraw/zinc/05/50/46/174055046.db2.gz UTXRWQHXJLAYNH-GRYCIOLGSA-N 0 0 227.348 2.210 10 0 BEAERN COCCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114435888 174124230 /nfs/dbraw/zinc/12/42/30/174124230.db2.gz FRFGOKAHUGAPKA-AWEZNQCLSA-N 0 0 237.343 2.372 10 0 BEAERN COCCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114435889 174125179 /nfs/dbraw/zinc/12/51/79/174125179.db2.gz FRFGOKAHUGAPKA-CQSZACIVSA-N 0 0 237.343 2.372 10 0 BEAERN COCCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181223618 174135311 /nfs/dbraw/zinc/13/53/11/174135311.db2.gz WXWDRDMTPPCOOH-IAQYHMDHSA-N 0 0 247.338 2.381 10 0 BEAERN COCCCC(=O)Nc1ccc(N)cc1Cl ZINC000022215387 174169226 /nfs/dbraw/zinc/16/92/26/174169226.db2.gz RONIQNLWXDLOGX-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN COCCCN1CCO[C@@H](c2ccsc2)C1 ZINC000125540190 174231779 /nfs/dbraw/zinc/23/17/79/174231779.db2.gz OVECDEUUYQRAGB-GFCCVEGCSA-N 0 0 241.356 2.158 10 0 BEAERN COCCCNc1cccc(N(C)C)c1 ZINC000082711170 174252199 /nfs/dbraw/zinc/25/21/99/174252199.db2.gz QEJAXIFPOIRKAL-UHFFFAOYSA-N 0 0 208.305 2.201 10 0 BEAERN COCCCNc1ccc(N)c2ncccc12 ZINC000035340749 174252409 /nfs/dbraw/zinc/25/24/09/174252409.db2.gz ICJNDHQHJZUTJM-UHFFFAOYSA-N 0 0 231.299 2.265 10 0 BEAERN COCCCOCc1cc2ccccc2nc1N ZINC000050830109 174254848 /nfs/dbraw/zinc/25/48/48/174254848.db2.gz HNNHIDPJXMFNAY-UHFFFAOYSA-N 0 0 246.310 2.370 10 0 BEAERN COCCCOc1ccc2cc(N)ccc2n1 ZINC000037746818 174257026 /nfs/dbraw/zinc/25/70/26/174257026.db2.gz VCUGSJGEVBEUBG-UHFFFAOYSA-N 0 0 232.283 2.232 10 0 BEAERN COCCN(C)CC(=O)c1cc(C)ccc1C ZINC000042308526 174276292 /nfs/dbraw/zinc/27/62/92/174276292.db2.gz AKFUBWHLXZOVFW-UHFFFAOYSA-N 0 0 235.327 2.064 10 0 BEAERN COCCN(Cc1c(N)cccc1F)C1CC1 ZINC000104063381 174298170 /nfs/dbraw/zinc/29/81/70/174298170.db2.gz GCRKOTBXEZRMBI-UHFFFAOYSA-N 0 0 238.306 2.019 10 0 BEAERN COCCN(c1ccccc1C[NH3+])[C@H](C)C1CC1 ZINC000042613795 174302662 /nfs/dbraw/zinc/30/26/62/174302662.db2.gz ZSLNYGOIDILTMQ-GFCCVEGCSA-N 0 0 248.370 2.397 10 0 BEAERN COCCOc1ccc(C)cc1[C@@H](C)O ZINC000035630189 174367727 /nfs/dbraw/zinc/36/77/27/174367727.db2.gz JQNDJFVXCYSMAD-SNVBAGLBSA-N 0 0 210.273 2.074 10 0 BEAERN COCCSc1cc(F)ccc1N ZINC000052122433 174376361 /nfs/dbraw/zinc/37/63/61/174376361.db2.gz CUAMQDDYSXOUIN-UHFFFAOYSA-N 0 0 201.266 2.146 10 0 BEAERN COCC[C@@H](C)NC(=O)NCCC1=CCCC1 ZINC000119691460 174380070 /nfs/dbraw/zinc/38/00/70/174380070.db2.gz KZRCBQVNDQZPKJ-LLVKDONJSA-N 0 0 240.347 2.211 10 0 BEAERN COCCc1[nH]nc(N)c1-c1ccccc1C ZINC000034975803 174424643 /nfs/dbraw/zinc/42/46/43/174424643.db2.gz JVDCMTNOPRDUJS-UHFFFAOYSA-N 0 0 231.299 2.156 10 0 BEAERN COC[C@@H](C)C(=O)N(C(C)C)C1CCC1 ZINC000121845875 174434610 /nfs/dbraw/zinc/43/46/10/174434610.db2.gz AFLNKOWAJUCCCQ-SNVBAGLBSA-N 0 0 213.321 2.058 10 0 BEAERN COC[C@@H](C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000110376628 174436310 /nfs/dbraw/zinc/43/63/10/174436310.db2.gz HCQWBPMNXVHWJX-YPMHNXCESA-N 0 0 247.338 2.115 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000103356944 174437043 /nfs/dbraw/zinc/43/70/43/174437043.db2.gz WWSUKVHRTQXSSD-OLZOCXBDSA-N 0 0 249.354 2.406 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)CCC(C)C ZINC000103357455 174437599 /nfs/dbraw/zinc/43/75/99/174437599.db2.gz GEDFOFZZCJOBPF-MNOVXSKESA-N 0 0 215.337 2.210 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(C)cc1C ZINC000103359697 174438776 /nfs/dbraw/zinc/43/87/76/174438776.db2.gz KDIPXYGEGXAFIV-LLVKDONJSA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110451079 174526901 /nfs/dbraw/zinc/52/69/01/174526901.db2.gz YOBXPCGVPLHQGY-IACUBPJLSA-N 0 0 247.338 2.189 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccc(C)c(F)c1 ZINC000103362484 174527076 /nfs/dbraw/zinc/52/70/76/174527076.db2.gz MZSIYHJWJXUAEV-JTQLQIEISA-N 0 0 239.290 2.033 10 0 BEAERN COC[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000103357109 174528505 /nfs/dbraw/zinc/52/85/05/174528505.db2.gz DGMMNQYAOXEPMW-ZETCQYMHSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@H](C)C(=O)Oc1c(C)cccc1C ZINC000103356333 174528862 /nfs/dbraw/zinc/52/88/62/174528862.db2.gz GFIUQFWGSARZBU-NSHDSACASA-N 0 0 222.284 2.491 10 0 BEAERN COCc1cnc(NCc2cncs2)s1 ZINC000285158659 174636839 /nfs/dbraw/zinc/63/68/39/174636839.db2.gz LHVZTQDHSZTAKE-UHFFFAOYSA-N 0 0 241.341 2.358 10 0 BEAERN COCc1csc(NC(=O)C2CCC2)n1 ZINC000115245190 174637501 /nfs/dbraw/zinc/63/75/01/174637501.db2.gz BUJSPPDRCBYQCR-UHFFFAOYSA-N 0 0 226.301 2.028 10 0 BEAERN CO[C@H](C)c1noc(-c2cc(F)ccc2O)n1 ZINC000128821501 174853986 /nfs/dbraw/zinc/85/39/86/174853986.db2.gz XDBQRUYLRLOGMY-ZCFIWIBFSA-N 0 0 238.218 2.289 10 0 BEAERN CO[S@](=O)C12CC3CC(CC(C3)C1)C2 ZINC000040538005 174917515 /nfs/dbraw/zinc/91/75/15/174917515.db2.gz ZJCUGXGRMPBUOW-XFOGCTRUSA-N 0 0 214.330 2.265 10 0 BEAERN COc1c(C)cc([C@@H]([NH3+])CCC(=O)[O-])cc1C ZINC000083129316 174923805 /nfs/dbraw/zinc/92/38/05/174923805.db2.gz RNBRKFFYUXGENU-NSHDSACASA-N 0 0 237.299 2.177 10 0 BEAERN COc1cc(C(=O)N(C)C)cc(Cl)c1OC ZINC000047651209 174944393 /nfs/dbraw/zinc/94/43/93/174944393.db2.gz WRRYZCCZPZLXGG-UHFFFAOYSA-N 0 0 243.690 2.059 10 0 BEAERN COc1cc(C(=O)N[C@@H]2C[C@@H]2C)cc(OC)c1C ZINC000075530099 174948908 /nfs/dbraw/zinc/94/89/08/174948908.db2.gz QQIUSILYKNIKJA-GZMMTYOYSA-N 0 0 249.310 2.150 10 0 BEAERN COc1cc(C)ccc1O[C@H](C)[C@@H](C)O ZINC000044215212 174970047 /nfs/dbraw/zinc/97/00/47/174970047.db2.gz FFNOWJBLTIWUAF-NXEZZACHSA-N 0 0 210.273 2.152 10 0 BEAERN COc1cc(CNc2cc(C)c(C)nn2)ccn1 ZINC000302282450 174986729 /nfs/dbraw/zinc/98/67/29/174986729.db2.gz JGPRXNUQLZOXAG-UHFFFAOYSA-N 0 0 244.298 2.109 10 0 BEAERN COc1cc(Cl)cc2c(N)ccnc12 ZINC000036075607 174990087 /nfs/dbraw/zinc/99/00/87/174990087.db2.gz VHBXOCYLIHZFFS-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1cc(F)ccc1N[C@H]1CCC[C@H]1O ZINC000049567119 174995640 /nfs/dbraw/zinc/99/56/40/174995640.db2.gz CNWUOKPKMXBGKA-GXSJLCMTSA-N 0 0 225.263 2.160 10 0 BEAERN COc1cc(N)c2nc(Cl)ccc2c1 ZINC000098178873 174996112 /nfs/dbraw/zinc/99/61/12/174996112.db2.gz LESATCDCROEBGW-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1cc(NC2CCCC2)nc(C)n1 ZINC000082482538 175001347 /nfs/dbraw/zinc/00/13/47/175001347.db2.gz KEXWILGNBQVARP-UHFFFAOYSA-N 0 0 207.277 2.148 10 0 BEAERN COc1cc(O)cc(OC)c1Br ZINC000034275837 175005519 /nfs/dbraw/zinc/00/55/19/175005519.db2.gz DANCJFHGXPUGFD-UHFFFAOYSA-N 0 0 233.061 2.172 10 0 BEAERN COc1cc(OC)c(NC(N)=S)cc1Cl ZINC000034938860 175007334 /nfs/dbraw/zinc/00/73/34/175007334.db2.gz YDLDCSXJYWPYAZ-UHFFFAOYSA-N 0 0 246.719 2.013 10 0 BEAERN COc1cc2[nH]c(C3CC3)cc(=O)c2c(OC)c1 ZINC000103957243 175007844 /nfs/dbraw/zinc/00/78/44/175007844.db2.gz GRQBDLZMNWYORM-UHFFFAOYSA-N 0 0 245.278 2.423 10 0 BEAERN COc1cc(OC)nc(Nc2ccccc2)n1 ZINC000087489443 175012375 /nfs/dbraw/zinc/01/23/75/175012375.db2.gz HLIGGTCDMPWFCH-UHFFFAOYSA-N 0 0 231.255 2.237 10 0 BEAERN COc1cc2[nH]c(=S)n(C)c2cc1OC ZINC000075952286 175018951 /nfs/dbraw/zinc/01/89/51/175018951.db2.gz UXXPMZGNHPLRST-UHFFFAOYSA-N 0 0 224.285 2.253 10 0 BEAERN COc1cc2c(c(OC)c1)C(=O)C(C)(C)C2 ZINC000261508572 175019873 /nfs/dbraw/zinc/01/98/73/175019873.db2.gz UTDZKIYMDLPZOV-UHFFFAOYSA-N 0 0 220.268 2.469 10 0 BEAERN COc1cc2c(c(OC)c1OC)C(=O)[C@@H](C)C2 ZINC000027655799 175020214 /nfs/dbraw/zinc/02/02/14/175020214.db2.gz NZJAFQIOSNDHPN-ZETCQYMHSA-N 0 0 236.267 2.087 10 0 BEAERN COc1cc2c(cc1Br)OCC2 ZINC000034559433 175020835 /nfs/dbraw/zinc/02/08/35/175020835.db2.gz IGHGEZPZOVFQLI-UHFFFAOYSA-N 0 0 229.073 2.393 10 0 BEAERN COc1cc2c(cc1O)C(C)(C)CC2=O ZINC000034068715 175023556 /nfs/dbraw/zinc/02/35/56/175023556.db2.gz HTFMEKCSJRODCZ-UHFFFAOYSA-N 0 0 206.241 2.265 10 0 BEAERN COc1cc2c(cc1OC)-c1n[nH]cc1CC2 ZINC000004772256 175023581 /nfs/dbraw/zinc/02/35/81/175023581.db2.gz NACRDJZYQHMAAQ-UHFFFAOYSA-N 0 0 230.267 2.193 10 0 BEAERN COc1cc2c(cc1OC)C(C)(C)CN2 ZINC000071484967 175024367 /nfs/dbraw/zinc/02/43/67/175024367.db2.gz BKYABVYGECTCQO-UHFFFAOYSA-N 0 0 207.273 2.407 10 0 BEAERN COc1cc2ccnc(N)c2cc1Cl ZINC000071482640 175027561 /nfs/dbraw/zinc/02/75/61/175027561.db2.gz LDGMAHCKNNZXCQ-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)cc1OC ZINC000065355935 175029922 /nfs/dbraw/zinc/02/99/22/175029922.db2.gz PJNDYGBJDZPXOJ-UHFFFAOYSA-N 0 0 231.251 2.059 10 0 BEAERN COc1ccc(-c2c[nH]c(=O)s2)cc1 ZINC000072204730 175030028 /nfs/dbraw/zinc/03/00/28/175030028.db2.gz CQCFXDICROVVGK-UHFFFAOYSA-N 0 0 207.254 2.112 10 0 BEAERN COc1ccc(-c2ccccc(O)c2=O)cc1 ZINC000034416501 175035214 /nfs/dbraw/zinc/03/52/14/175035214.db2.gz QQFALFLKEBDAGL-UHFFFAOYSA-N 0 0 228.247 2.428 10 0 BEAERN COc1ccc(-c2cnc(=O)[nH]c2)cc1Cl ZINC000049828351 175035649 /nfs/dbraw/zinc/03/56/49/175035649.db2.gz RJMKOZFUYSUAGN-UHFFFAOYSA-N 0 0 236.658 2.099 10 0 BEAERN COc1ccc(-c2csc(CO)n2)cc1F ZINC000049829533 175037925 /nfs/dbraw/zinc/03/79/25/175037925.db2.gz WJNJAAROGZXYBP-UHFFFAOYSA-N 0 0 239.271 2.450 10 0 BEAERN COc1ccc(-c2nc(C)c(C)c(N)n2)cc1 ZINC000050847326 175038557 /nfs/dbraw/zinc/03/85/57/175038557.db2.gz BIPKQBGTTSRQKW-UHFFFAOYSA-N 0 0 229.283 2.351 10 0 BEAERN COc1ccc(-c2ncc(N)c(C)n2)cc1OC ZINC000082552225 175040643 /nfs/dbraw/zinc/04/06/43/175040643.db2.gz QLAKMOWHBZMRPZ-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(-c2ncsc2N)cc1 ZINC000050307975 175041706 /nfs/dbraw/zinc/04/17/06/175041706.db2.gz WLQYFVQLPRAODN-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-c2noc(N)c2C)cc1OC ZINC000026512475 175043302 /nfs/dbraw/zinc/04/33/02/175043302.db2.gz XPSYONZGAOJAKO-UHFFFAOYSA-N 0 0 234.255 2.249 10 0 BEAERN COc1ccc(/C=C/[C@H](C)O)c(OC)c1 ZINC000077301542 175047149 /nfs/dbraw/zinc/04/71/49/175047149.db2.gz QBNFSFYVEDASLN-MOVJSRMASA-N 0 0 208.257 2.098 10 0 BEAERN COc1ccc(Br)c2c1OCO2 ZINC000038293953 175050948 /nfs/dbraw/zinc/05/09/48/175050948.db2.gz LISWFPRVJNBBGC-UHFFFAOYSA-N 0 0 231.045 2.186 10 0 BEAERN COc1ccc(C(=O)CN2CCCC2)cc1F ZINC000035021159 175053987 /nfs/dbraw/zinc/05/39/87/175053987.db2.gz FQPBHBNLNIBZBL-UHFFFAOYSA-N 0 0 237.274 2.113 10 0 BEAERN COc1ccc(C(=O)c2cc(O)cc(O)c2)cc1 ZINC000026569800 175066258 /nfs/dbraw/zinc/06/62/58/175066258.db2.gz BISFUPGZBPMJQU-UHFFFAOYSA-N 0 0 244.246 2.337 10 0 BEAERN COc1ccc(C(C)=O)c(O[C@@H](C)[C@@H](C)O)c1 ZINC000135374181 175067346 /nfs/dbraw/zinc/06/73/46/175067346.db2.gz QEKRGAQLOBGOLM-SCZZXKLOSA-N 0 0 238.283 2.046 10 0 BEAERN COc1ccc(C(C)=O)cc1Cn1ccnc1C ZINC000035225088 175068261 /nfs/dbraw/zinc/06/82/61/175068261.db2.gz OOZTZMAXGODNCQ-UHFFFAOYSA-N 0 0 244.294 2.451 10 0 BEAERN COc1ccc(C)cc1[C@@H](O)Cn1ccnc1C ZINC000042253180 175079965 /nfs/dbraw/zinc/07/99/65/175079965.db2.gz IZNIKKHFYKRQMW-ZDUSSCGKSA-N 0 0 246.310 2.242 10 0 BEAERN COc1ccc(C)cc1[C@@H](O)[C@H]1CCCOC1 ZINC000062240131 175080163 /nfs/dbraw/zinc/08/01/63/175080163.db2.gz SXTSWANDWAPOIG-FZMZJTMJSA-N 0 0 236.311 2.464 10 0 BEAERN COc1ccc(C)cc1[C@H](O)Cc1ncc[nH]1 ZINC000052943895 175082260 /nfs/dbraw/zinc/08/22/60/175082260.db2.gz COCHZCINYDZIBL-LLVKDONJSA-N 0 0 232.283 2.003 10 0 BEAERN COc1ccc(C2=NCCS2)cc1C ZINC000033638115 175085566 /nfs/dbraw/zinc/08/55/66/175085566.db2.gz XDHSIVNULGJESC-UHFFFAOYSA-N 0 0 207.298 2.497 10 0 BEAERN COc1ccc(C=O)cc1NC(=O)C(F)(F)F ZINC000057920151 175086076 /nfs/dbraw/zinc/08/60/76/175086076.db2.gz MGNIURDKZQYLCO-UHFFFAOYSA-N 0 0 247.172 2.009 10 0 BEAERN COc1ccc(C=O)cc1-n1nccc1C ZINC000095835486 175086426 /nfs/dbraw/zinc/08/64/26/175086426.db2.gz WKYFPTISBUYHDM-UHFFFAOYSA-N 0 0 216.240 2.002 10 0 BEAERN COc1ccc(CO)cc1OCC(F)(F)F ZINC000020032388 175113541 /nfs/dbraw/zinc/11/35/41/175113541.db2.gz OGXDCMAKMWGPIL-UHFFFAOYSA-N 0 0 236.189 2.129 10 0 BEAERN COc1ccc(COC(=O)C(C)C)cc1 ZINC000005358996 175113776 /nfs/dbraw/zinc/11/37/76/175113776.db2.gz ZOXXODFRADWDHG-UHFFFAOYSA-N 0 0 208.257 2.394 10 0 BEAERN COc1ccc(CSc2ccc(N)nn2)cc1 ZINC000021297574 175115275 /nfs/dbraw/zinc/11/52/75/175115275.db2.gz XAMRILMSCLEPCB-UHFFFAOYSA-N 0 0 247.323 2.360 10 0 BEAERN COc1ccc(C[C@@H](O)[C@@H]2C[C@@H]2C)cc1OC ZINC000062137752 175116213 /nfs/dbraw/zinc/11/62/13/175116213.db2.gz AUVKWIZLRXYKMI-MVWJERBFSA-N 0 0 236.311 2.263 10 0 BEAERN COc1ccc(Cl)cc1Cn1cc(N)cn1 ZINC000036867458 175120998 /nfs/dbraw/zinc/12/09/98/175120998.db2.gz VRVKVVRHQQHOKX-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN COc1ccc(Cl)cc1N1CC[C@H](CO)C1 ZINC000011892924 175121191 /nfs/dbraw/zinc/12/11/91/175121191.db2.gz FNANBSUWTNYCMR-VIFPVBQESA-N 0 0 241.718 2.167 10 0 BEAERN COc1ccc(F)c(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000151885832 175125884 /nfs/dbraw/zinc/12/58/84/175125884.db2.gz ZTFMGTPLKOJFFU-XCBNKYQSSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(F)cc1-c1cc(=O)cc[nH]1 ZINC000065355845 175127597 /nfs/dbraw/zinc/12/75/97/175127597.db2.gz WFBOXSGSGPLFHO-UHFFFAOYSA-N 0 0 219.215 2.190 10 0 BEAERN COc1ccc(N)c(-c2ccccn2)c1 ZINC000098179257 175137647 /nfs/dbraw/zinc/13/76/47/175137647.db2.gz OEQKIVJTTKMYJG-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1ccc(N)cc1-c1ncc(C)o1 ZINC000082532077 175137902 /nfs/dbraw/zinc/13/79/02/175137902.db2.gz AXQFBHAHYOGYBW-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(N)cc1Oc1nc(C)cc(C)n1 ZINC000035676128 175138407 /nfs/dbraw/zinc/13/84/07/175138407.db2.gz JDXZRXPWCNOVFC-UHFFFAOYSA-N 0 0 245.282 2.477 10 0 BEAERN COc1ccc(NCCn2cccn2)c(OC)c1 ZINC000049313998 175150625 /nfs/dbraw/zinc/15/06/25/175150625.db2.gz OLHFTYXONKDOHA-UHFFFAOYSA-N 0 0 247.298 2.012 10 0 BEAERN COc1ccc(NCCCn2ccnc2)cc1 ZINC000049327852 175150921 /nfs/dbraw/zinc/15/09/21/175150921.db2.gz KVILLJQDVRTGPN-UHFFFAOYSA-N 0 0 231.299 2.394 10 0 BEAERN COc1ccc(NC[C@@H]2CCCO2)cc1F ZINC000037290747 175151753 /nfs/dbraw/zinc/15/17/53/175151753.db2.gz UCQNFPCPWMXZIA-JTQLQIEISA-N 0 0 225.263 2.425 10 0 BEAERN COc1ccc(NC[C@@H](O)c2ccco2)cc1 ZINC000033464880 175151919 /nfs/dbraw/zinc/15/19/19/175151919.db2.gz VJDRLTQJZWKZNN-GFCCVEGCSA-N 0 0 233.267 2.434 10 0 BEAERN COc1ccc(NCCn2cccn2)cc1OC ZINC000049314065 175151968 /nfs/dbraw/zinc/15/19/68/175151968.db2.gz NASLAPCNFFUINW-UHFFFAOYSA-N 0 0 247.298 2.012 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@@H]2O)cc1F ZINC000037690133 175153823 /nfs/dbraw/zinc/15/38/23/175153823.db2.gz JIZMIWWEBXSJKP-MNOVXSKESA-N 0 0 225.263 2.160 10 0 BEAERN COc1ccc(N[C@@H]2CCSC2)cc1O ZINC000037134584 175154011 /nfs/dbraw/zinc/15/40/11/175154011.db2.gz NPDDWOOJRSHEGC-SECBINFHSA-N 0 0 225.313 2.318 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@H]2O)c(C)c1 ZINC000061567667 175155586 /nfs/dbraw/zinc/15/55/86/175155586.db2.gz BZUBLJIRYOIHAJ-QWHCGFSZSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(Nc2c(N)c(C)nn2C)cc1 ZINC000036749111 175156050 /nfs/dbraw/zinc/15/60/50/175156050.db2.gz ZFBXWMRQCOCPTK-UHFFFAOYSA-N 0 0 232.287 2.063 10 0 BEAERN COc1ccc(OC)c(-c2noc(N)c2C)c1 ZINC000044482250 175163271 /nfs/dbraw/zinc/16/32/71/175163271.db2.gz SMYLSBBSHRYCTC-UHFFFAOYSA-N 0 0 234.255 2.249 10 0 BEAERN COc1ccc(OC)c([C@@H](C)n2nccc2N)c1 ZINC000019689143 175167248 /nfs/dbraw/zinc/16/72/48/175167248.db2.gz UYWHZWQNOTZNES-SECBINFHSA-N 0 0 247.298 2.092 10 0 BEAERN COc1ccc(OC)c(NCc2nccn2C)c1 ZINC000036804591 175167276 /nfs/dbraw/zinc/16/72/76/175167276.db2.gz OPVACXORQRMMJR-UHFFFAOYSA-N 0 0 247.298 2.049 10 0 BEAERN COc1ccc(OC)c([C@@H]2CC[C@H](O)C2)c1 ZINC000057514796 175167687 /nfs/dbraw/zinc/16/76/87/175167687.db2.gz IKQCBFYFEMGXDD-ZJUUUORDSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc(OC)c([C@@]2(C)CCC(=O)O2)c1 ZINC000049828009 175167712 /nfs/dbraw/zinc/16/77/12/175167712.db2.gz CRWOWNQBYWNCTL-CYBMUJFWSA-N 0 0 236.267 2.256 10 0 BEAERN COc1ccc(OC)c([C@H](N)c2ccco2)c1 ZINC000035379798 175168832 /nfs/dbraw/zinc/16/88/32/175168832.db2.gz DZFCLIVPNJWFAK-ZDUSSCGKSA-N 0 0 233.267 2.345 10 0 BEAERN COc1ccc(OC)c2c1CCC[C@H]2O ZINC000019727020 175170446 /nfs/dbraw/zinc/17/04/46/175170446.db2.gz DCAJLZKKHXCTQS-SECBINFHSA-N 0 0 208.257 2.074 10 0 BEAERN COc1ccc([C@@H](O)[C@@H]2CCCCO2)c(F)c1 ZINC000050972053 175181459 /nfs/dbraw/zinc/18/14/59/175181459.db2.gz OWVXLSZAOPGVMX-QWHCGFSZSA-N 0 0 240.274 2.437 10 0 BEAERN COc1ccc([C@H](C)C(=O)N2CCCCO2)cc1 ZINC000189584276 175187422 /nfs/dbraw/zinc/18/74/22/175187422.db2.gz LNIIJLYMHTWKSV-NSHDSACASA-N 0 0 249.310 2.353 10 0 BEAERN COc1ccc([C@H](N)c2ccco2)c(OC)c1 ZINC000035379814 175192907 /nfs/dbraw/zinc/19/29/07/175192907.db2.gz FARDEFCHDNARQV-ZDUSSCGKSA-N 0 0 233.267 2.345 10 0 BEAERN COc1ccc([C@H](O)c2cccnc2)cc1 ZINC000034116743 175194018 /nfs/dbraw/zinc/19/40/18/175194018.db2.gz LUJXIFUKAWFOTD-ZDUSSCGKSA-N 0 0 215.252 2.172 10 0 BEAERN COc1ccc2[nH]cc(OC(C)=O)c2c1 ZINC000089157443 175202512 /nfs/dbraw/zinc/20/25/12/175202512.db2.gz VFWXIIHJAVJMAT-UHFFFAOYSA-N 0 0 205.213 2.102 10 0 BEAERN COc1ccc2c(c1)[nH]c1c(c2=O)CCC1 ZINC000072109640 175202589 /nfs/dbraw/zinc/20/25/89/175202589.db2.gz XRHIRCKOKLQWFR-UHFFFAOYSA-N 0 0 215.252 2.025 10 0 BEAERN COc1ccc2c(cc[nH+]c2N[C@H](C)C(=O)[O-])c1 ZINC000082766054 175205317 /nfs/dbraw/zinc/20/53/17/175205317.db2.gz HFESCHZMXZNQDO-MRVPVSSYSA-N 0 0 246.266 2.128 10 0 BEAERN COc1ccc2c(OC)cc(=O)oc2c1C ZINC000066263104 175205468 /nfs/dbraw/zinc/20/54/68/175205468.db2.gz MKVRAINJUFILLT-UHFFFAOYSA-N 0 0 220.224 2.119 10 0 BEAERN COc1ccc2c(c1)c(/C=C/[N+](=O)[O-])cn2C ZINC000094993386 175217950 /nfs/dbraw/zinc/21/79/50/175217950.db2.gz HPAFSNLDOSGRGI-AATRIKPKSA-N 0 0 232.239 2.434 10 0 BEAERN COc1ccc2cccc(CCNC=O)c2c1 ZINC000013738636 175225605 /nfs/dbraw/zinc/22/56/05/175225605.db2.gz WLNVBLHBIPTPNU-UHFFFAOYSA-N 0 0 229.279 2.137 10 0 BEAERN COc1ccc2nc(-c3cc(N)n[nH]3)sc2c1 ZINC000075880050 175226332 /nfs/dbraw/zinc/22/63/32/175226332.db2.gz KOPMFQSRDMLALA-UHFFFAOYSA-N 0 0 246.295 2.277 10 0 BEAERN COc1cccc(-c2ccc(CO)cn2)c1 ZINC000039927629 175234199 /nfs/dbraw/zinc/23/41/99/175234199.db2.gz RLQJQUXEXZORII-UHFFFAOYSA-N 0 0 215.252 2.250 10 0 BEAERN COc1cccc(-c2ncc(N)s2)c1 ZINC000044120485 175237342 /nfs/dbraw/zinc/23/73/42/175237342.db2.gz OFWYQQIWVDGEPT-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1cccc(C(=O)N(C)CC2CC2)c1F ZINC000123782877 175242372 /nfs/dbraw/zinc/24/23/72/175242372.db2.gz IQKUZCLPSQFXBL-UHFFFAOYSA-N 0 0 237.274 2.316 10 0 BEAERN COc1cccc(C(=O)N2CCC[C@H]2C)c1O ZINC000037912267 175243563 /nfs/dbraw/zinc/24/35/63/175243563.db2.gz STTFFCPXCNHDKH-SECBINFHSA-N 0 0 235.283 2.025 10 0 BEAERN COc1cccc(CCC(C)=O)c1OC ZINC000062153277 175250500 /nfs/dbraw/zinc/25/05/00/175250500.db2.gz XTQZNQIGJJUUHJ-UHFFFAOYSA-N 0 0 208.257 2.225 10 0 BEAERN COc1cccc(CN2[C@@H](C)COC[C@@H]2C)c1 ZINC000077657891 175261908 /nfs/dbraw/zinc/26/19/08/175261908.db2.gz PPJYGCRFUCZLTA-RYUDHWBXSA-N 0 0 235.327 2.304 10 0 BEAERN COc1cccc(CNOCc2ccccc2)n1 ZINC000086436881 175266059 /nfs/dbraw/zinc/26/60/59/175266059.db2.gz XJITXSMIWMLMNV-UHFFFAOYSA-N 0 0 244.294 2.312 10 0 BEAERN COc1cccc(CNc2ccc(O)cc2)n1 ZINC000083357275 175269071 /nfs/dbraw/zinc/26/90/71/175269071.db2.gz XRKDNTXPGRKDDV-UHFFFAOYSA-N 0 0 230.267 2.408 10 0 BEAERN COc1cccc(C[C@@](C)(O)C2CC2)c1 ZINC000057494000 175271782 /nfs/dbraw/zinc/27/17/82/175271782.db2.gz UTRPQAOXJHOARR-CYBMUJFWSA-N 0 0 206.285 2.399 10 0 BEAERN COc1cccc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000190250026 175276973 /nfs/dbraw/zinc/27/69/73/175276973.db2.gz QDERATYTJLBLGQ-MFKMUULPSA-N 0 0 249.310 2.449 10 0 BEAERN COc1cccc(N[C@@H](CC(C)C)C(N)=O)c1 ZINC000037944683 175279705 /nfs/dbraw/zinc/27/97/05/175279705.db2.gz PZNCWHZFGZEPEE-LBPRGKRZSA-N 0 0 236.315 2.007 10 0 BEAERN COc1cccc([C@@H](N)c2nccs2)c1 ZINC000019930898 175288589 /nfs/dbraw/zinc/28/85/89/175288589.db2.gz FLWUSEWTZABOEI-SNVBAGLBSA-N 0 0 220.297 2.200 10 0 BEAERN COc1cccc([C@@H](O)Cc2cccnc2)c1 ZINC000053130339 175289721 /nfs/dbraw/zinc/28/97/21/175289721.db2.gz DRFGRGVXCQDWLE-AWEZNQCLSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc([C@@]23CC[C@@H](C2=O)N(C)CC3)c1 ZINC000255997446 175291592 /nfs/dbraw/zinc/29/15/92/175291592.db2.gz QPAOLGRRDDZZGP-ZFWWWQNUSA-N 0 0 245.322 2.000 10 0 BEAERN COc1cccc([C@H](O)c2ccc(N)cc2)c1 ZINC000019780078 175294681 /nfs/dbraw/zinc/29/46/81/175294681.db2.gz NLFFJWJHBDQEOD-CQSZACIVSA-N 0 0 229.279 2.359 10 0 BEAERN COc1cccc([C@H](O)Cn2nc(C)cc2C)c1 ZINC000041297303 175295314 /nfs/dbraw/zinc/29/53/14/175295314.db2.gz LBCYOEMTIKMNCG-CQSZACIVSA-N 0 0 246.310 2.242 10 0 BEAERN COc1cccc([C@H]2C[C@@H]2C(=O)NC2CC2)c1 ZINC000106726717 175297009 /nfs/dbraw/zinc/29/70/09/175297009.db2.gz ZCBNFABAAYYSDN-OLZOCXBDSA-N 0 0 231.295 2.077 10 0 BEAERN COc1cccc2c(CO)c(Cl)[nH]c21 ZINC000071466056 175299116 /nfs/dbraw/zinc/29/91/16/175299116.db2.gz ZASWNPKXTXVFRE-UHFFFAOYSA-N 0 0 211.648 2.322 10 0 BEAERN COc1ccccc1C(=O)[C@H]1CCCOC1 ZINC000082365626 175319757 /nfs/dbraw/zinc/31/97/57/175319757.db2.gz GJKPOGYAJFMKGH-JTQLQIEISA-N 0 0 220.268 2.305 10 0 BEAERN COc1ccccc1C[C@@H](O)c1cccnc1 ZINC000040907305 175332538 /nfs/dbraw/zinc/33/25/38/175332538.db2.gz MCPQLCVLSFSRHT-CYBMUJFWSA-N 0 0 229.279 2.366 10 0 BEAERN COc1ccccc1NC(=S)CC(C)=O ZINC000073738865 175337213 /nfs/dbraw/zinc/33/72/13/175337213.db2.gz RSEJQDJYJREQTD-UHFFFAOYSA-N 0 0 223.297 2.414 10 0 BEAERN COc1ccccc1NCc1ccncn1 ZINC000054788553 175337953 /nfs/dbraw/zinc/33/79/53/175337953.db2.gz BQYJXXYFWTYMLJ-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccccc1N[C@H]1CCCC[C@H]1O ZINC000037690997 175338937 /nfs/dbraw/zinc/33/89/37/175338937.db2.gz BEQQXECCUXTFMR-CMPLNLGQSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccccc1OCC(=O)OC(C)(C)C ZINC000095082250 175340335 /nfs/dbraw/zinc/34/03/35/175340335.db2.gz JQVMJNRVDDDPFO-UHFFFAOYSA-N 0 0 238.283 2.416 10 0 BEAERN COc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)CC1CC1 ZINC000077427139 175343533 /nfs/dbraw/zinc/34/35/33/175343533.db2.gz OUHNWZWCXDAFMM-ZDUSSCGKSA-N 0 0 249.310 2.163 10 0 BEAERN COc1ccccc1[C@@H]([NH2+]CC(C)C)C(=O)[O-] ZINC000037965512 175347927 /nfs/dbraw/zinc/34/79/27/175347927.db2.gz FMNVVKIEBXISOT-GFCCVEGCSA-N 0 0 237.299 2.067 10 0 BEAERN COc1ccccc1[C@@H](O)c1ccc(N)cc1 ZINC000019780075 175347944 /nfs/dbraw/zinc/34/79/44/175347944.db2.gz ACAOUQJHYDVINR-AWEZNQCLSA-N 0 0 229.279 2.359 10 0 BEAERN COc1cnc(OC(C)C)cc1OC1CC1 ZINC000095731036 175382004 /nfs/dbraw/zinc/38/20/04/175382004.db2.gz GJUYTOSPZXMGNG-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1cnc(OC(C)C)c(OC2CC2)c1 ZINC000095728214 175382042 /nfs/dbraw/zinc/38/20/42/175382042.db2.gz OUECWLULWUHAEN-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1nc(N(C)[C@@H](C)C(C)C)ccc1N ZINC000036787102 175392503 /nfs/dbraw/zinc/39/25/03/175392503.db2.gz VVDIYNGCCYBVDC-VIFPVBQESA-N 0 0 223.320 2.153 10 0 BEAERN COc1nc(N2CCC[C@@H](C)CC2)ccc1N ZINC000104367321 175392757 /nfs/dbraw/zinc/39/27/57/175392757.db2.gz RZCWFLOXGOXXPK-SNVBAGLBSA-N 0 0 235.331 2.299 10 0 BEAERN COc1nc(N(CC2CC2)C(C)C)ccc1N ZINC000042579440 175392901 /nfs/dbraw/zinc/39/29/01/175392901.db2.gz VBMWMYAYAIIKQJ-UHFFFAOYSA-N 0 0 235.331 2.297 10 0 BEAERN COc1nc(N[C@H](C)c2ccco2)ccc1N ZINC000035739196 175395456 /nfs/dbraw/zinc/39/54/56/175395456.db2.gz DIRYALMDLBQGRU-MRVPVSSYSA-N 0 0 233.271 2.439 10 0 BEAERN COc1nc(N[C@H](C)c2cccnc2)ccc1N ZINC000035692024 175396239 /nfs/dbraw/zinc/39/62/39/175396239.db2.gz FSQALBQZLVFVAB-SECBINFHSA-N 0 0 244.298 2.241 10 0 BEAERN CSCC(=O)Nc1cc(C)ccc1F ZINC000049939188 175461852 /nfs/dbraw/zinc/46/18/52/175461852.db2.gz PCDFJUSTHIJTRZ-UHFFFAOYSA-N 0 0 213.277 2.436 10 0 BEAERN CSc1c(C)nn(-c2ccccc2)c1N ZINC000031886645 175571850 /nfs/dbraw/zinc/57/18/50/175571850.db2.gz QCLOQYSXUQTOMD-UHFFFAOYSA-N 0 0 219.313 2.485 10 0 BEAERN CSc1nnc([C@H](C)C(F)(F)F)n1C ZINC000075840154 175593263 /nfs/dbraw/zinc/59/32/63/175593263.db2.gz FYHAXBKPKUQERB-BYPYZUCNSA-N 0 0 225.239 2.203 10 0 BEAERN CSc1nsc([C@@H]2CN3CCC2CC3)n1 ZINC000003787856 175593689 /nfs/dbraw/zinc/59/36/89/175593689.db2.gz SSCCVKYVTVFNBJ-MRVPVSSYSA-N 0 0 241.385 2.069 10 0 BEAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000044396306 175626434 /nfs/dbraw/zinc/62/64/34/175626434.db2.gz AXYXMBPSIPRCSF-MUWHJKNJSA-N 0 0 213.664 2.061 10 0 BEAERN C[C@@H](Cc1ccco1)NC1N=NC(=S)S1 ZINC000042591504 175774834 /nfs/dbraw/zinc/77/48/34/175774834.db2.gz RLRAEQOFMXQTPE-LURJTMIESA-N 0 0 241.341 2.463 10 0 BEAERN C[C@@H](N(C)C(=O)c1cc(N)c[nH]1)C(C)(C)C ZINC000040322510 175791519 /nfs/dbraw/zinc/79/15/19/175791519.db2.gz NZBQVEUDOWDWEM-MRVPVSSYSA-N 0 0 223.320 2.104 10 0 BEAERN C[C@@H](NC(=O)CC(F)(F)F)c1cccc(N)c1 ZINC000037177718 175828247 /nfs/dbraw/zinc/82/82/47/175828247.db2.gz ZBXHFNKBOFDFPT-SSDOTTSWSA-N 0 0 246.232 2.398 10 0 BEAERN C[C@@H](Nc1cnn(C)c1)c1ccc2c(c1)OCO2 ZINC000035737743 175936731 /nfs/dbraw/zinc/93/67/31/175936731.db2.gz QMUZXNQSDGAZKM-SECBINFHSA-N 0 0 245.282 2.322 10 0 BEAERN C[C@@H](Nc1ncc(Cl)cn1)[C@H]1CCCO1 ZINC000093536802 175936980 /nfs/dbraw/zinc/93/69/80/175936980.db2.gz YEJDRBJUZIICDC-VXNVDRBHSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@@H](O)CNc1ccc(F)cc1Cl ZINC000037687870 175984604 /nfs/dbraw/zinc/98/46/04/175984604.db2.gz KUXRMOKEOMFXQB-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN C[C@@H](Oc1ccc(F)cc1F)C(N)=S ZINC000041229605 176004676 /nfs/dbraw/zinc/00/46/76/176004676.db2.gz DBPDXXSFMOHAOG-RXMQYKEDSA-N 0 0 217.240 2.018 10 0 BEAERN C[C@@H](Sc1nnc(CO)n1C)c1ccccc1 ZINC000119394348 176010154 /nfs/dbraw/zinc/01/01/54/176010154.db2.gz FNVWCNCEPUGPTG-SECBINFHSA-N 0 0 249.339 2.161 10 0 BEAERN C[C@@H](Sc1nc[nH]n1)c1ccc(N)cc1 ZINC000040909253 176010415 /nfs/dbraw/zinc/01/04/15/176010415.db2.gz HIVUQKDXUGZRTI-SSDOTTSWSA-N 0 0 220.301 2.240 10 0 BEAERN C[C@@H](c1cccs1)N(C)c1ccc(CO)nn1 ZINC000049728178 176033562 /nfs/dbraw/zinc/03/35/62/176033562.db2.gz MVBRXGMCTGCHKI-VIFPVBQESA-N 0 0 249.339 2.228 10 0 BEAERN C[C@@H]1CC(=O)[C@@H](Sc2ccccc2)O1 ZINC000104846472 176050884 /nfs/dbraw/zinc/05/08/84/176050884.db2.gz IANCTICFMDICKN-LDYMZIIASA-N 0 0 208.282 2.483 10 0 BEAERN C[C@@H]1CCCC(C(=O)C(F)(F)F)=C1O ZINC000100137906 176134673 /nfs/dbraw/zinc/13/46/73/176134673.db2.gz WDJMNYHBUNCQKM-RITPCOANSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H]1CCCC[C@H]1c1nc(-c2ncon2)no1 ZINC000333568187 176090309 /nfs/dbraw/zinc/09/03/09/176090309.db2.gz LZRUDTHQGQJZCC-HTQZYQBOSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2ccc(N)c(F)c2)C1 ZINC000054405119 176095170 /nfs/dbraw/zinc/09/51/70/176095170.db2.gz JBMMGLFSGRLGCR-SECBINFHSA-N 0 0 236.290 2.280 10 0 BEAERN C[C@@H]1CCC[C@@H](CC[NH2+]Cc2cnnn2C)C1 ZINC000122012420 176118146 /nfs/dbraw/zinc/11/81/46/176118146.db2.gz WHOPLSKYTZUGNQ-NEPJUHHUSA-N 0 0 236.363 2.121 10 0 BEAERN C[C@@H]1CCC[C@@H](OCc2nnsc2N)C1 ZINC000050832434 176125327 /nfs/dbraw/zinc/12/53/27/176125327.db2.gz PFZXZKBONJMOJN-HTQZYQBOSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CCO ZINC000300240103 176125827 /nfs/dbraw/zinc/12/58/27/176125827.db2.gz IEIUKXJBWDOQTE-AGIUHOORSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(=O)[nH]c1 ZINC000334184142 176126554 /nfs/dbraw/zinc/12/65/54/176126554.db2.gz CXKDPKHBJYYWBV-SCZZXKLOSA-N 0 0 220.272 2.162 10 0 BEAERN C[C@@H]1CCC[C@@H]1c1nc(Cc2cncn2C)no1 ZINC000329598278 176133032 /nfs/dbraw/zinc/13/30/32/176133032.db2.gz JHUZQHVNMXAFMH-KOLCDFICSA-N 0 0 246.314 2.298 10 0 BEAERN C[C@@H]1CCC[C@H]([N@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859728 176140870 /nfs/dbraw/zinc/14/08/70/176140870.db2.gz JYMDVABOMXLBFM-CEIHKIRRSA-N 0 0 211.305 2.138 10 0 BEAERN C[C@@H]1CCC[C@H](Oc2ccc(N)c(C(N)=O)c2)C1 ZINC000041670289 176145924 /nfs/dbraw/zinc/14/59/24/176145924.db2.gz FKPMJIZLNCJCEP-ZJUUUORDSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCc2n[nH]cc21 ZINC000336426712 176146984 /nfs/dbraw/zinc/14/69/84/176146984.db2.gz AKDHLYSOALJPLC-NXEZZACHSA-N 0 0 233.315 2.125 10 0 BEAERN C[C@@H]1CCN(C(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040716610 176162406 /nfs/dbraw/zinc/16/24/06/176162406.db2.gz DIYKTLVTSBIHDX-MRVPVSSYSA-N 0 0 238.718 2.404 10 0 BEAERN C[C@@H]1CC[N@H+](CC(C)(C)C(=O)[O-])[C@H](C)C1 ZINC000051748607 176168256 /nfs/dbraw/zinc/16/82/56/176168256.db2.gz QVMKPCSLYLSIPJ-NXEZZACHSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1=O ZINC000068592839 176176178 /nfs/dbraw/zinc/17/61/78/176176178.db2.gz BTDSRZRPAVDUQC-VXGBXAGGSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1CCN(c2c(F)cc(N)cc2F)C1 ZINC000040717805 176179906 /nfs/dbraw/zinc/17/99/06/176179906.db2.gz KDOJMZTXHIZLKE-SSDOTTSWSA-N 0 0 212.243 2.393 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(Cl)n1 ZINC000133442629 176192282 /nfs/dbraw/zinc/19/22/82/176192282.db2.gz OAFMKVNKRRKGSC-XCBNKYQSSA-N 0 0 240.690 2.099 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(F)c2)O1 ZINC000121768040 176196800 /nfs/dbraw/zinc/19/68/00/176196800.db2.gz PBLQSJNLYHSSNI-KCJUWKMLSA-N 0 0 223.247 2.332 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)c2ccccc2)O1 ZINC000121709984 176219854 /nfs/dbraw/zinc/21/98/54/176219854.db2.gz LZIAFDGVNHBCOI-ZYHUDNBSSA-N 0 0 219.284 2.217 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCCC[C@@H]3C2)O1 ZINC000119866079 176220410 /nfs/dbraw/zinc/22/04/10/176220410.db2.gz RYUXJFFXVAFKGU-FVCCEPFGSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(O)cc2F)O1 ZINC000126795440 176221424 /nfs/dbraw/zinc/22/14/24/176221424.db2.gz NVFSJQKYBCGNPF-RDDDGLTNSA-N 0 0 239.246 2.037 10 0 BEAERN C[C@@H]1CC[C@H](Nc2ccc(C(N)=O)cc2)C1 ZINC000070642769 176235206 /nfs/dbraw/zinc/23/52/06/176235206.db2.gz LURJNCJNKFDDJP-SKDRFNHKSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@@H]1CCc2cc(CO)c(Cl)nc2C1 ZINC000049815070 176239253 /nfs/dbraw/zinc/23/92/53/176239253.db2.gz MCILJYQTEDODTB-SSDOTTSWSA-N 0 0 211.692 2.352 10 0 BEAERN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CC1=O ZINC000142024966 176253590 /nfs/dbraw/zinc/25/35/90/176253590.db2.gz AFMMHVFSLJYZKE-RKDXNWHRSA-N 0 0 227.304 2.221 10 0 BEAERN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCC1=O ZINC000044677385 176316705 /nfs/dbraw/zinc/31/67/05/176316705.db2.gz NUQKFGFHNWXGHD-MRVWCRGKSA-N 0 0 229.323 2.453 10 0 BEAERN C[C@@H](O)c1ccc(N2CCCO[C@H](C)C2)cc1 ZINC000061919549 176319318 /nfs/dbraw/zinc/31/93/18/176319318.db2.gz XAOJKSLNWUATRI-VXGBXAGGSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H]1CN(c2cccc(F)c2N)CCCO1 ZINC000061916816 176319794 /nfs/dbraw/zinc/31/97/94/176319794.db2.gz GLOYCSRRFRAVJR-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccco1 ZINC000094432866 176323173 /nfs/dbraw/zinc/32/31/73/176323173.db2.gz HAINTICPDIWHCU-CHWSQXEVSA-N 0 0 234.343 2.338 10 0 BEAERN C[C@@H]1CN[C@H](c2ccccc2Cl)CO1 ZINC000071518352 176331207 /nfs/dbraw/zinc/33/12/07/176331207.db2.gz JAWDOIZTHFYQPG-KCJUWKMLSA-N 0 0 211.692 2.389 10 0 BEAERN C[C@@H]1COCC[C@@H](OC2CCCC2)O1 ZINC000039112759 176338584 /nfs/dbraw/zinc/33/85/84/176338584.db2.gz CECOTKSWIUWQHF-MWLCHTKSSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccoc1Cl ZINC000192318318 176346006 /nfs/dbraw/zinc/34/60/06/176346006.db2.gz RKLNCSGRFJHTAE-HTQZYQBOSA-N 0 0 243.690 2.182 10 0 BEAERN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123690565 176371745 /nfs/dbraw/zinc/37/17/45/176371745.db2.gz FBTHMODTKCNMGZ-OCCSQVGLSA-N 0 0 246.354 2.241 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000075531506 176399936 /nfs/dbraw/zinc/39/99/36/176399936.db2.gz CAHMTZVSSCSEPO-PWSUYJOCSA-N 0 0 215.296 2.243 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCC(=O)c1cccs1 ZINC000075528347 176399993 /nfs/dbraw/zinc/39/99/93/176399993.db2.gz GVLHJCJNWTXRIP-BDAKNGLRSA-N 0 0 237.324 2.236 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cccnc1C(F)(F)F ZINC000136886082 176444980 /nfs/dbraw/zinc/44/49/80/176444980.db2.gz TUKBVVLSKYMHFG-HTRCEHHLSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccc2c(n1)CCC2=O ZINC000309108451 176447068 /nfs/dbraw/zinc/44/70/68/176447068.db2.gz IXCGGQOZALVJOF-GMSGAONNSA-N 0 0 202.257 2.031 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000134570401 176474620 /nfs/dbraw/zinc/47/46/20/176474620.db2.gz OBKWBCGLPAASKB-CBAPKCEASA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CCC1CCCC1 ZINC000336233793 176496775 /nfs/dbraw/zinc/49/67/75/176496775.db2.gz MDAQTJFNDDQMRG-YPMHNXCESA-N 0 0 239.359 2.329 10 0 BEAERN C[C@@]([NH3+])(C(=O)[O-])c1csc2ccccc21 ZINC000003677200 176511459 /nfs/dbraw/zinc/51/14/59/176511459.db2.gz JSYAAVHZYTYPOE-NSHDSACASA-N 0 0 221.281 2.160 10 0 BEAERN C[C@@](Nc1ccc(Cl)cc1)(C(N)=O)C1CC1 ZINC000037945213 176512516 /nfs/dbraw/zinc/51/25/16/176512516.db2.gz YTPHOKCZUUFMOT-LBPRGKRZSA-N 0 0 238.718 2.406 10 0 BEAERN C[C@@]1(CO)CCC[C@H]1Nc1ncncc1Cl ZINC000302616262 176535106 /nfs/dbraw/zinc/53/51/06/176535106.db2.gz GAHVJUBHZKEBKU-KOLCDFICSA-N 0 0 241.722 2.093 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052668 176602981 /nfs/dbraw/zinc/60/29/81/176602981.db2.gz OBSPHWGIOWYSNS-NXEZZACHSA-N 0 0 239.290 2.210 10 0 BEAERN C[C@H](NC(=O)c1ccccc1N)c1ccccn1 ZINC000035694377 176819924 /nfs/dbraw/zinc/81/99/24/176819924.db2.gz PYEZEOOGUCYCQQ-JTQLQIEISA-N 0 0 241.294 2.155 10 0 BEAERN C[C@H](Nc1ccc2c(c1)C(=O)N(C)C2=O)C1CC1 ZINC000019906276 176933943 /nfs/dbraw/zinc/93/39/43/176933943.db2.gz QUNZOKGYLOMWKG-QMMMGPOBSA-N 0 0 244.294 2.123 10 0 BEAERN C[C@H](Nc1ccccc1F)C(=O)N1CCCC1 ZINC000057324460 176936592 /nfs/dbraw/zinc/93/65/92/176936592.db2.gz JUDVIQVMCWWRIK-JTQLQIEISA-N 0 0 236.290 2.249 10 0 BEAERN C[C@@H](Oc1ccc2cccnc2c1)[C@H](C)O ZINC000229049033 177005580 /nfs/dbraw/zinc/00/55/80/177005580.db2.gz IPPNTYNLLIJSLN-VHSXEESVSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@@H](Oc1cccc2cccnc21)[C@H](C)O ZINC000044232776 177005803 /nfs/dbraw/zinc/00/58/03/177005803.db2.gz VPUKOZQERFYCSZ-VHSXEESVSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@H](O)[C@H](C)Oc1ccc2c(c1)C(=O)CCC2 ZINC000235575371 177012493 /nfs/dbraw/zinc/01/24/93/177012493.db2.gz PRYNHQIMVORORD-UWVGGRQHSA-N 0 0 234.295 2.354 10 0 BEAERN C[C@H](O)c1cc(Br)cc2c1OCC2 ZINC000123007687 177016712 /nfs/dbraw/zinc/01/67/12/177016712.db2.gz NSJZAQQYJDVUEW-LURJTMIESA-N 0 0 243.100 2.437 10 0 BEAERN C[C@H](O)c1ccc(NC(=O)c2ccccn2)cc1 ZINC000035199463 177017580 /nfs/dbraw/zinc/01/75/80/177017580.db2.gz WEZJLSHHYQEEKV-JTQLQIEISA-N 0 0 242.278 2.387 10 0 BEAERN C[C@H](O)c1ccccc1NCc1cnccn1 ZINC000054766674 177017704 /nfs/dbraw/zinc/01/77/04/177017704.db2.gz OGCULOSGUFKZFH-JTQLQIEISA-N 0 0 229.283 2.142 10 0 BEAERN C[C@H](O)c1ccccc1N(CCO)C1CCCC1 ZINC000042511369 177017848 /nfs/dbraw/zinc/01/78/48/177017848.db2.gz YEPROVFNYZZNIT-LBPRGKRZSA-N 0 0 249.354 2.481 10 0 BEAERN C[C@H](Oc1cccc2cccnc21)C(N)=S ZINC000041258996 177023728 /nfs/dbraw/zinc/02/37/28/177023728.db2.gz XRJHFJNDVZAMST-QMMMGPOBSA-N 0 0 232.308 2.288 10 0 BEAERN C[C@H](SC[C@@H](O)CO)c1cccc(Cl)c1 ZINC000177416334 177027383 /nfs/dbraw/zinc/02/73/83/177027383.db2.gz DAXKTPPYVSETCG-KWQFWETISA-N 0 0 246.759 2.487 10 0 BEAERN C[C@H](Sc1nc[nH]n1)c1cccc(N)c1 ZINC000040908586 177030242 /nfs/dbraw/zinc/03/02/42/177030242.db2.gz XSMVUUXFKPYUSC-ZETCQYMHSA-N 0 0 220.301 2.240 10 0 BEAERN C[C@H](c1ccc(Cl)cc1)N(O)C(N)=O ZINC000000013399 177032568 /nfs/dbraw/zinc/03/25/68/177032568.db2.gz GWJBEWUDYUTUMX-ZCFIWIBFSA-N 0 0 214.652 2.171 10 0 BEAERN C[C@H](c1ccccc1)n1cncc1C=O ZINC000040938593 177041133 /nfs/dbraw/zinc/04/11/33/177041133.db2.gz BNAZZNLNIDVAHW-SNVBAGLBSA-N 0 0 200.241 2.305 10 0 BEAERN C[C@H](c1cnn(C)c1)N(C)c1cccc(F)n1 ZINC000302682027 177052431 /nfs/dbraw/zinc/05/24/31/177052431.db2.gz SGBMLQVUYZXXEF-SECBINFHSA-N 0 0 234.278 2.152 10 0 BEAERN C[C@@H](c1ccnn1C)c1nc([C@H]2CC2(C)C)no1 ZINC000333768602 177053552 /nfs/dbraw/zinc/05/35/52/177053552.db2.gz DXNIXRJBCKIZSB-DTWKUNHWSA-N 0 0 246.314 2.468 10 0 BEAERN C[C@@H]1[C@@H](C)CC(=O)CN1Cc1ccccc1 ZINC000068593134 177061598 /nfs/dbraw/zinc/06/15/98/177061598.db2.gz GBNPXKCPQPNLBB-NWDGAFQWSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CC(=O)c2cc3c(cc21)OCCO3 ZINC000041212501 177062936 /nfs/dbraw/zinc/06/29/36/177062936.db2.gz NGUPPLIOUKROOI-ZETCQYMHSA-N 0 0 204.225 2.148 10 0 BEAERN C[C@H]1CC(C)(C)C[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000037183498 177063918 /nfs/dbraw/zinc/06/39/18/177063918.db2.gz TXAIXBCNNUNUAV-TVQRCGJNSA-N 0 0 225.332 2.408 10 0 BEAERN C[C@H]1CC(Nc2ccccc2)=CC(=O)O1 ZINC000008677705 177066106 /nfs/dbraw/zinc/06/61/06/177066106.db2.gz ZQAVEBPHFYSNMP-VIFPVBQESA-N 0 0 203.241 2.318 10 0 BEAERN C[C@H]1CCC(O)=C(C(=O)C(F)(F)F)C1 ZINC000100137926 177068615 /nfs/dbraw/zinc/06/86/15/177068615.db2.gz LRZQEIYNXWNUGL-WDSKDSINSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@H]1CCC(O)=C(C(=O)C(F)(F)F)C1 ZINC000100137920 177069029 /nfs/dbraw/zinc/06/90/29/177069029.db2.gz LRZQEIYNXWNUGL-NTSWFWBYSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@H]1CCCC[C@@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000037359559 177084057 /nfs/dbraw/zinc/08/40/57/177084057.db2.gz SSXLQLCSHDGTOG-CMPLNLGQSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1CCCC[C@H]1OCCn1cc(N)cn1 ZINC000050615113 177089558 /nfs/dbraw/zinc/08/95/58/177089558.db2.gz GDTRYUIQHXLPRV-CMPLNLGQSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@H]1CCCN(C(=O)c2cc(N)cc(N)c2)[C@H]1C ZINC000050563203 177094791 /nfs/dbraw/zinc/09/47/91/177094791.db2.gz TVUDGTDLOVJNNB-UWVGGRQHSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@H]1CCCN(C(=O)c2ccc(N)cc2N)CC1 ZINC000104352027 177095368 /nfs/dbraw/zinc/09/53/68/177095368.db2.gz DMZALPHSIRYWLI-JTQLQIEISA-N 0 0 247.342 2.113 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cc(N)cn1C1CC1 ZINC000037909658 177108023 /nfs/dbraw/zinc/10/80/23/177108023.db2.gz CDHHLJPMWOPXAS-VIFPVBQESA-N 0 0 233.315 2.030 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccnc1N ZINC000050696568 177116058 /nfs/dbraw/zinc/11/60/58/177116058.db2.gz WVFWBNOUDNFMTO-AOOOYVTPSA-N 0 0 233.315 2.067 10 0 BEAERN C[C@H]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CCCN3)C1 ZINC000104381789 177123408 /nfs/dbraw/zinc/12/34/08/177123408.db2.gz YDTINCSAYLXQJS-VHSXEESVSA-N 0 0 247.342 2.422 10 0 BEAERN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(N)c[nH]1 ZINC000036861485 177131486 /nfs/dbraw/zinc/13/14/86/177131486.db2.gz CPZBMAKRBDQUJV-IUCAKERBSA-N 0 0 221.304 2.000 10 0 BEAERN C[C@H]1CCC[C@H](OCCn2cc(N)cn2)C1 ZINC000050615160 177138456 /nfs/dbraw/zinc/13/84/56/177138456.db2.gz CPZHVNDMYQOTLS-JQWIXIFHSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCc2ccncc21 ZINC000336559135 177139097 /nfs/dbraw/zinc/13/90/97/177139097.db2.gz YKGQMHIYLAIRBB-CMPLNLGQSA-N 0 0 230.311 2.407 10 0 BEAERN C[C@@H]1C[C@@H](C)CCN1C(=O)Cc1ccccc1N ZINC000051728488 177147896 /nfs/dbraw/zinc/14/78/96/177147896.db2.gz KXIIVHVVTQQMSA-NWDGAFQWSA-N 0 0 246.354 2.458 10 0 BEAERN C[C@H]1CCO[C@H](COc2ccccc2)O1 ZINC000038648050 177179477 /nfs/dbraw/zinc/17/94/77/177179477.db2.gz ACCCAQVFLWDUTB-JQWIXIFHSA-N 0 0 208.257 2.217 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2)O1 ZINC000121739873 177182415 /nfs/dbraw/zinc/18/24/15/177182415.db2.gz NFADBRRMHIDORC-KWQFWETISA-N 0 0 223.247 2.332 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2)O1 ZINC000121705121 177197413 /nfs/dbraw/zinc/19/74/13/177197413.db2.gz TWBHXLCOGBECND-GXSJLCMTSA-N 0 0 205.257 2.193 10 0 BEAERN C[C@H]1CC[C@H](Nc2ccc(C(N)=O)cc2)C1 ZINC000070642770 177205469 /nfs/dbraw/zinc/20/54/69/177205469.db2.gz LURJNCJNKFDDJP-CABZTGNLSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@H]1CN(C(=O)Nc2ccsc2)C[C@H](C)O1 ZINC000157235658 177221653 /nfs/dbraw/zinc/22/16/53/177221653.db2.gz VUHWDTLNTSLQDZ-IUCAKERBSA-N 0 0 240.328 2.389 10 0 BEAERN C[C@H]1CN(C(=O)c2cccc(F)c2)CCS1 ZINC000171581044 177227574 /nfs/dbraw/zinc/22/75/74/177227574.db2.gz PLKLANYUKJVOBV-VIFPVBQESA-N 0 0 239.315 2.403 10 0 BEAERN C[C@H]1CN(C[C@H]2CCCC2(F)F)CCC1=O ZINC000334560972 177259815 /nfs/dbraw/zinc/25/98/15/177259815.db2.gz WDWPBRLZBLAQSS-VHSXEESVSA-N 0 0 231.286 2.333 10 0 BEAERN C[C@H]1CN(Cc2ncc(Cl)n2C)CCS1 ZINC000171692015 177270867 /nfs/dbraw/zinc/27/08/67/177270867.db2.gz HXMNRCVSYKZMED-QMMMGPOBSA-N 0 0 245.779 2.011 10 0 BEAERN C[C@H]1CN(Cc2nccn2C(F)F)CCS1 ZINC000171691948 177271754 /nfs/dbraw/zinc/27/17/54/177271754.db2.gz BABBLHKQSORAJZ-QMMMGPOBSA-N 0 0 247.314 2.216 10 0 BEAERN C[C@H]1CN(c2ccc(N)cc2F)CCCO1 ZINC000061916757 177277047 /nfs/dbraw/zinc/27/70/47/177277047.db2.gz XWGVQYFCWMYXMX-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN C[C@H]1CNc2cc(Cl)ccc2NC1=O ZINC000039224546 177287024 /nfs/dbraw/zinc/28/70/24/177287024.db2.gz VADAGHNPRJBAGR-LURJTMIESA-N 0 0 210.664 2.340 10 0 BEAERN C[C@H]1CNc2cc(N)cc(Br)c2O1 ZINC000062533815 177287549 /nfs/dbraw/zinc/28/75/49/177287549.db2.gz QZJVZOYVAOGVLI-YFKPBYRVSA-N 0 0 243.104 2.224 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccsc1 ZINC000093607499 177299395 /nfs/dbraw/zinc/29/93/95/177299395.db2.gz MVFBSGDAYHOANR-AOOOYVTPSA-N 0 0 211.330 2.357 10 0 BEAERN C[C@H]1CO[C@@H](c2c(F)cccc2F)C[NH2+]1 ZINC000036986490 177300335 /nfs/dbraw/zinc/30/03/35/177300335.db2.gz WMVBIWWNGZIJEU-OIBJUYFYSA-N 0 0 213.227 2.014 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCCOc1ccccc1 ZINC000171066525 177346131 /nfs/dbraw/zinc/34/61/31/177346131.db2.gz HBYJULVYEOBBNQ-AAEUAGOBSA-N 0 0 233.311 2.370 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000075519063 177346170 /nfs/dbraw/zinc/34/61/70/177346170.db2.gz XPTYDEZYTRWRGM-JQWIXIFHSA-N 0 0 217.312 2.489 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CSc1ccccc1 ZINC000075530323 177346214 /nfs/dbraw/zinc/34/62/14/177346214.db2.gz QGGCVEZVSCEIMG-ONGXEEELSA-N 0 0 221.325 2.303 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1cc(F)ccc1F ZINC000171046587 177346431 /nfs/dbraw/zinc/34/64/31/177346431.db2.gz JYOABZXJQXTNRK-UFBFGSQYSA-N 0 0 239.265 2.422 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1cc(F)c(F)cc1F ZINC000120238116 177346593 /nfs/dbraw/zinc/34/65/93/177346593.db2.gz CXGBDCVBVDMWHQ-KGFZYKRKSA-N 0 0 243.228 2.171 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1cnc2ccccc2c1 ZINC000130663941 177346991 /nfs/dbraw/zinc/34/69/91/177346991.db2.gz RCIPSDPGGYIJJQ-HZMBPMFUSA-N 0 0 240.306 2.302 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)c(N)c1 ZINC000052268201 177349242 /nfs/dbraw/zinc/34/92/42/177349242.db2.gz NPFNKENFJQUSAQ-WKEGUHRASA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nc2ccccc2n1C ZINC000070609122 177350731 /nfs/dbraw/zinc/35/07/31/177350731.db2.gz JUUWIYZESIVXNA-WPRPVWTQSA-N 0 0 201.273 2.394 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ccc2c(n1)CCC2=O ZINC000309108454 177350994 /nfs/dbraw/zinc/35/09/94/177350994.db2.gz IXCGGQOZALVJOF-XVKPBYJWSA-N 0 0 202.257 2.031 10 0 BEAERN C[C@H]1C[C@H](C)C[NH+](CC(C)(C)C(=O)[O-])C1 ZINC000011799627 177359070 /nfs/dbraw/zinc/35/90/70/177359070.db2.gz CFXWINRBZFFKPH-UWVGGRQHSA-N 0 0 213.321 2.075 10 0 BEAERN C[C@H]1C[C@H]1C(=O)N(Cc1ccccc1N)C1CC1 ZINC000035081170 177376213 /nfs/dbraw/zinc/37/62/13/177376213.db2.gz JNJUESBERXVTND-GXFFZTMASA-N 0 0 244.338 2.416 10 0 BEAERN C[C@H]1C[C@H]1C(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000036742599 177376573 /nfs/dbraw/zinc/37/65/73/177376573.db2.gz WRYLSFZPYVBMQU-HOTUBEGUSA-N 0 0 230.311 2.202 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1N ZINC000021969227 177376872 /nfs/dbraw/zinc/37/68/72/177376872.db2.gz PNHAODGHOFICPC-POYBYMJQSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCc2sccc2C1 ZINC000170807883 177383386 /nfs/dbraw/zinc/38/33/86/177383386.db2.gz ZMUHBVFHTCBCJQ-WCBMZHEXSA-N 0 0 236.340 2.224 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCc2ccccc2C1 ZINC000170809322 177383746 /nfs/dbraw/zinc/38/37/46/177383746.db2.gz UGUJGAVTGAQLJE-GXFFZTMASA-N 0 0 230.311 2.163 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000195240210 177384182 /nfs/dbraw/zinc/38/41/82/177384182.db2.gz PSNPPYQYHITDAD-HWNAMQAFSA-N 0 0 248.301 2.389 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)ccc1N ZINC000052268158 177385015 /nfs/dbraw/zinc/38/50/15/177385015.db2.gz UMQZWFVDYGIBEX-QUBYGPBYSA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000171062491 177385111 /nfs/dbraw/zinc/38/51/11/177385111.db2.gz DLUTVCKZDNAPFL-IONNQARKSA-N 0 0 221.325 2.375 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1coc(Br)c1 ZINC000075516764 177385789 /nfs/dbraw/zinc/38/57/89/177385789.db2.gz WYIREAZSKKNUMQ-CAHLUQPWSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1Cc2cc(N)ccc2N1C(=O)c1ccoc1 ZINC000036742575 177389072 /nfs/dbraw/zinc/38/90/72/177389072.db2.gz LRHPTGMBTDSFPD-VIFPVBQESA-N 0 0 242.278 2.453 10 0 BEAERN C[S@](=N)(=O)c1cccc(Br)c1 ZINC000238856598 177494343 /nfs/dbraw/zinc/49/43/43/177494343.db2.gz WJVBEFFLTYIYPW-NSHDSACASA-N 0 0 234.118 2.485 10 0 BEAERN Cc1c(N)cc(C(=O)NCCC(C)C)cc1F ZINC000037641470 177609816 /nfs/dbraw/zinc/60/98/16/177609816.db2.gz YOGKGPUBIQOFQP-UHFFFAOYSA-N 0 0 238.306 2.492 10 0 BEAERN C[C@H](C(=O)N1C[C@H](C)C[C@@H](O)C1)c1ccccc1 ZINC000401643257 226360670 /nfs/dbraw/zinc/36/06/70/226360670.db2.gz GMJOXTAAFYFJGC-MBNYWOFBSA-N 0 0 247.338 2.019 10 0 BEAERN CO[C@@H](C)CN(C(=O)OC(C)C)C(C)C ZINC000496089649 226296440 /nfs/dbraw/zinc/29/64/40/226296440.db2.gz CTSKVUSVKBOUGZ-JTQLQIEISA-N 0 0 217.309 2.277 10 0 BEAERN CCN(CC1CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249847437 487657491 /nfs/dbraw/zinc/65/74/91/487657491.db2.gz WFPFCPQBAQWAEW-ZSBIGDGJSA-N 0 0 207.317 2.291 10 0 BEAERN COCCCCOC(=O)CSC(C)(C)C ZINC000103336001 583973989 /nfs/dbraw/zinc/97/39/89/583973989.db2.gz DYFZBCMBMHOUQM-UHFFFAOYSA-N 0 0 234.361 2.488 10 0 BEAERN CC(C)(C)CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398694029 262766509 /nfs/dbraw/zinc/76/65/09/262766509.db2.gz DDKRDPCUDJGEOW-SDDRHHMPSA-N 0 0 239.359 2.042 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000669695760 487687147 /nfs/dbraw/zinc/68/71/47/487687147.db2.gz BHFFLBAXVKNMPL-QJPTWQEYSA-N 0 0 227.348 2.232 10 0 BEAERN CC(C)CC[C@@H]([NH3+])C[C@@H](C)CC(=O)[O-] ZINC000521400529 262779219 /nfs/dbraw/zinc/77/92/19/262779219.db2.gz AEUGXLQMCCKHKC-NXEZZACHSA-N 0 0 201.310 2.251 10 0 BEAERN O[C@@H]1CCC[C@@H](CN2CCC[C@H]2C(F)F)C1 ZINC000660149498 487698420 /nfs/dbraw/zinc/69/84/20/487698420.db2.gz YLHQKGCQISSPMT-MXWKQRLJSA-N 0 0 233.302 2.267 10 0 BEAERN O=C(Nc1cccc(CO)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250121768 487727472 /nfs/dbraw/zinc/72/74/72/487727472.db2.gz SQWJTHYAUQZZTP-ZSBIGDGJSA-N 0 0 231.295 2.164 10 0 BEAERN CN(Cc1ccco1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250254889 487729185 /nfs/dbraw/zinc/72/91/85/487729185.db2.gz YBMRTLYEFYGQOL-JGPRNRPPSA-N 0 0 219.284 2.284 10 0 BEAERN COc1cccc(N[C@H]2CO[C@H](C3CC3)C2)n1 ZINC000668423875 487730106 /nfs/dbraw/zinc/73/01/06/487730106.db2.gz HSIFPVMICXKIEN-MNOVXSKESA-N 0 0 234.299 2.070 10 0 BEAERN COCCN(CC(C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250548232 487735159 /nfs/dbraw/zinc/73/51/59/487735159.db2.gz GROWJDOYTDXIKE-CLLJXQQHSA-N 0 0 239.359 2.164 10 0 BEAERN Cc1[nH]nc(C=CBr)c1C ZINC000685964600 585028531 /nfs/dbraw/zinc/02/85/31/585028531.db2.gz OTMKYIJNIOXSET-ONEGZZNKSA-N 0 0 201.067 2.392 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C)cs1 ZINC000384871162 487752421 /nfs/dbraw/zinc/75/24/21/487752421.db2.gz OUSBSUQXEBBOSQ-ONGXEEELSA-N 0 0 239.340 2.042 10 0 BEAERN COC[C@H](C)C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000103357862 585096881 /nfs/dbraw/zinc/09/68/81/585096881.db2.gz IQPUYJNPEBBTJO-DCAQKATOSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1nn(Cc2cc(F)ccc2F)c(C)c1N ZINC000043458702 487776740 /nfs/dbraw/zinc/77/67/40/487776740.db2.gz APOYIOMDHFZLFE-UHFFFAOYSA-N 0 0 237.253 2.409 10 0 BEAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H](C)S1 ZINC000251771063 487796642 /nfs/dbraw/zinc/79/66/42/487796642.db2.gz VCONPLAJBOGVAC-PZWNZHSQSA-N 0 0 239.384 2.385 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N(CC(F)F)C1CC1 ZINC000385903787 487813700 /nfs/dbraw/zinc/81/37/00/487813700.db2.gz SQEYCAJILRBVJS-AYMMMOKOSA-N 0 0 229.270 2.289 10 0 BEAERN C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)[C@H](C)C(=O)[O-] ZINC000252591799 487827943 /nfs/dbraw/zinc/82/79/43/487827943.db2.gz DTDDIRNFSYCQIJ-XRRVDJEJSA-N 0 0 233.311 2.241 10 0 BEAERN C[C@@H](Nc1ncc(Cl)cn1)[C@@H]1CCCO1 ZINC000093536793 487830332 /nfs/dbraw/zinc/83/03/32/487830332.db2.gz YEJDRBJUZIICDC-APPZFPTMSA-N 0 0 227.695 2.109 10 0 BEAERN OC[C@H](O)c1c(Cl)cccc1Cl ZINC000095532629 527611620 /nfs/dbraw/zinc/61/16/20/527611620.db2.gz OSXLJRDNRLOXHQ-ZETCQYMHSA-N 0 0 207.056 2.019 10 0 BEAERN O=C1C=C/C(=C\c2ccc(Br)o2)O1 ZINC000083252593 631422019 /nfs/dbraw/zinc/42/20/19/631422019.db2.gz IGWWLCGLLOYUHC-FNORWQNLSA-N 0 0 241.040 2.496 10 0 BEAERN CC1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000681961464 487873352 /nfs/dbraw/zinc/87/33/52/487873352.db2.gz MZFUJPOTQXGQQZ-NWDGAFQWSA-N 0 0 239.359 2.377 10 0 BEAERN CC(C)[C@@H](C)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000083411772 487908795 /nfs/dbraw/zinc/90/87/95/487908795.db2.gz GZWVXOLDYHFNLQ-SNVBAGLBSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])CC1 ZINC000302341391 487956258 /nfs/dbraw/zinc/95/62/58/487956258.db2.gz MBGKHUYTMPUVSK-NSHDSACASA-N 0 0 248.326 2.402 10 0 BEAERN CC1CC(C(=O)Nc2cccc(CO)c2)C1 ZINC000536513602 322975779 /nfs/dbraw/zinc/97/57/79/322975779.db2.gz CIMPEUTXZXTVOD-UHFFFAOYSA-N 0 0 219.284 2.164 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)c2ccccc2F)O1 ZINC000151585343 323019381 /nfs/dbraw/zinc/01/93/81/323019381.db2.gz QLTNRRQIZMINED-JOYOIKCWSA-N 0 0 237.274 2.356 10 0 BEAERN CCN(C(=O)[C@H]1CC[C@H](C)O1)c1cccnc1 ZINC000151968694 323079190 /nfs/dbraw/zinc/07/91/90/323079190.db2.gz JGMXPSYLAMSXFD-CMPLNLGQSA-N 0 0 234.299 2.002 10 0 BEAERN CC1CC(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)C1 ZINC000540870638 323088590 /nfs/dbraw/zinc/08/85/90/323088590.db2.gz GEHIZIBMLJJUTA-IFWUJCSASA-N 0 0 249.354 2.393 10 0 BEAERN Cc1cc(NC(=O)NCc2cccc(C)n2)no1 ZINC000048683735 323155025 /nfs/dbraw/zinc/15/50/25/323155025.db2.gz LNQVRVPBXNSTNH-UHFFFAOYSA-N 0 0 246.270 2.008 10 0 BEAERN CC(C)CN(C(=O)Nc1nncs1)C(C)C ZINC000048843666 323156107 /nfs/dbraw/zinc/15/61/07/323156107.db2.gz BSSCOEYNVJAOPV-UHFFFAOYSA-N 0 0 242.348 2.436 10 0 BEAERN CO[C@@H](C)C(=O)NCc1ccc(SC)cc1 ZINC000049094518 323157414 /nfs/dbraw/zinc/15/74/14/323157414.db2.gz UYTDARCPRPMEEB-VIFPVBQESA-N 0 0 239.340 2.060 10 0 BEAERN CO[C@H](C)C(=O)NCc1ccc(SC)cc1 ZINC000049094520 323157443 /nfs/dbraw/zinc/15/74/43/323157443.db2.gz UYTDARCPRPMEEB-SECBINFHSA-N 0 0 239.340 2.060 10 0 BEAERN CCC(C)(C)C(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398692389 323189549 /nfs/dbraw/zinc/18/95/49/323189549.db2.gz CQVFOKJVNXIKTN-SRVKXCTJSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cn2)O1 ZINC000134090033 323189738 /nfs/dbraw/zinc/18/97/38/323189738.db2.gz GKJGFCKXTMKFCL-IONNQARKSA-N 0 0 240.690 2.241 10 0 BEAERN CCCCCC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398763451 323192058 /nfs/dbraw/zinc/19/20/58/323192058.db2.gz IKNGDKFONXGHIQ-AVGNSLFASA-N 0 0 239.359 2.186 10 0 BEAERN COc1cccc([C@]2(O)CCS[C@@H]2C)c1 ZINC000211606292 323195163 /nfs/dbraw/zinc/19/51/63/323195163.db2.gz BKAFOOFQRWELNT-SKDRFNHKSA-N 0 0 224.325 2.408 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C(C)(C)C1CCC1 ZINC000399328990 323204006 /nfs/dbraw/zinc/20/40/06/323204006.db2.gz XUEDDZOMVCZHNU-JQWIXIFHSA-N 0 0 239.359 2.185 10 0 BEAERN COC(=O)c1cccc(OC(F)F)c1F ZINC000238404173 323947385 /nfs/dbraw/zinc/94/73/85/323947385.db2.gz NJFVPSLNBSLJSS-UHFFFAOYSA-N 0 0 220.146 2.214 10 0 BEAERN CC[C@@H](C)Nc1nc2c(s1)NCCC2 ZINC000536959745 323971927 /nfs/dbraw/zinc/97/19/27/323971927.db2.gz UBRPBVGJAMPMLT-SSDOTTSWSA-N 0 0 211.334 2.134 10 0 BEAERN CC[C@@H](C)C[C@H](ON)C(=O)OC(C)(C)C ZINC000536960665 323974124 /nfs/dbraw/zinc/97/41/24/323974124.db2.gz RLKCORLXGHJCPE-BDAKNGLRSA-N 0 0 217.309 2.023 10 0 BEAERN CCCN(C)C(=O)N[C@H]1COc2ccccc21 ZINC000058574489 323991506 /nfs/dbraw/zinc/99/15/06/323991506.db2.gz QNFBVXXFJHVFHI-NSHDSACASA-N 0 0 234.299 2.172 10 0 BEAERN CCC[C@@H](C)C(=O)NCc1cccc(C)n1 ZINC000123214800 324101924 /nfs/dbraw/zinc/10/19/24/324101924.db2.gz RVJXBFSMTVUALN-SNVBAGLBSA-N 0 0 220.316 2.442 10 0 BEAERN CSCCCCNC(=O)c1cscn1 ZINC000124538640 324618492 /nfs/dbraw/zinc/61/84/92/324618492.db2.gz RFZSGCIFUSSZSO-UHFFFAOYSA-N 0 0 230.358 2.016 10 0 BEAERN CCOC(=O)CN[C@H]1CCCC[C@H]1C(C)C ZINC000125688672 324647680 /nfs/dbraw/zinc/64/76/80/324647680.db2.gz BLJWAHZCZIMPOV-RYUDHWBXSA-N 0 0 227.348 2.354 10 0 BEAERN CCC(CC)CC(=O)N1CCN(C2CC2)CC1 ZINC000125989234 324673003 /nfs/dbraw/zinc/67/30/03/324673003.db2.gz XVNFRLPKVTYXTE-UHFFFAOYSA-N 0 0 238.375 2.119 10 0 BEAERN CCC[C@H](O)CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000126282429 324690766 /nfs/dbraw/zinc/69/07/66/324690766.db2.gz GZZUKQTYMCHTRR-MJBXVCDLSA-N 0 0 247.338 2.067 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CCCCS1 ZINC000127584392 324776438 /nfs/dbraw/zinc/77/64/38/324776438.db2.gz WZYZXKKBJJVLJO-SECBINFHSA-N 0 0 217.334 2.407 10 0 BEAERN CC[C@H](CSC)NC(=O)OC(C)C ZINC000127837527 324790234 /nfs/dbraw/zinc/79/02/34/324790234.db2.gz YFXVLYZEBKLAGM-MRVPVSSYSA-N 0 0 205.323 2.263 10 0 BEAERN OCCCCN(c1ccnc(C2CC2)n1)C1CC1 ZINC000128676550 324870817 /nfs/dbraw/zinc/87/08/17/324870817.db2.gz JMLJXCUOAFFGTI-UHFFFAOYSA-N 0 0 247.342 2.095 10 0 BEAERN CC1CC(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)C1 ZINC000540870637 324923453 /nfs/dbraw/zinc/92/34/53/324923453.db2.gz GEHIZIBMLJJUTA-FIYWTHMPSA-N 0 0 249.354 2.393 10 0 BEAERN C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C)C1 ZINC000542393011 325023726 /nfs/dbraw/zinc/02/37/26/325023726.db2.gz AZTUUXDGVDWJHU-WUHRBBMRSA-N 0 0 239.359 2.042 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)c(O)c1 ZINC000130637135 325075701 /nfs/dbraw/zinc/07/57/01/325075701.db2.gz WLUNDRUAEFBOJG-CABZTGNLSA-N 0 0 235.283 2.207 10 0 BEAERN CCn1c(C)nnc1CSC1CCOCC1 ZINC000130872245 325097977 /nfs/dbraw/zinc/09/79/77/325097977.db2.gz PGVDMXCMJRXTMK-UHFFFAOYSA-N 0 0 241.360 2.019 10 0 BEAERN CC(C)CNC(=O)[C@@H](C)SC1CCOCC1 ZINC000130968689 325104696 /nfs/dbraw/zinc/10/46/96/325104696.db2.gz MCHDJFVKWOGXPM-SNVBAGLBSA-N 0 0 245.388 2.059 10 0 BEAERN CC(C)CNC(=O)[C@H](C)SC1CCOCC1 ZINC000130968908 325105527 /nfs/dbraw/zinc/10/55/27/325105527.db2.gz MCHDJFVKWOGXPM-JTQLQIEISA-N 0 0 245.388 2.059 10 0 BEAERN CCc1nnc(CSC2CCOCC2)o1 ZINC000131249877 325129912 /nfs/dbraw/zinc/12/99/12/325129912.db2.gz VVHMABVMMLDWAS-UHFFFAOYSA-N 0 0 228.317 2.044 10 0 BEAERN CCC(CC)CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000131280135 325133366 /nfs/dbraw/zinc/13/33/66/325133366.db2.gz VJYYMSFIRKDTRP-QWRGUYRKSA-N 0 0 227.348 2.449 10 0 BEAERN COC[C@@H](C)CNc1cc(OC)ccc1OC ZINC000131680309 325177158 /nfs/dbraw/zinc/17/71/58/325177158.db2.gz MNZAMSHQDNZOEQ-JTQLQIEISA-N 0 0 239.315 2.398 10 0 BEAERN COC[C@H](C)CNc1cccc(C(=O)OC)c1 ZINC000131721534 325179307 /nfs/dbraw/zinc/17/93/07/325179307.db2.gz HQCBHXQTSWIBOF-SNVBAGLBSA-N 0 0 237.299 2.168 10 0 BEAERN Brc1cc(Cn2cncn2)cs1 ZINC000131874567 325188931 /nfs/dbraw/zinc/18/89/31/325188931.db2.gz DQFHEARUGJSYRM-UHFFFAOYSA-N 0 0 244.117 2.150 10 0 BEAERN Cc1cccc(CC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075509448 325298361 /nfs/dbraw/zinc/29/83/61/325298361.db2.gz QIJNMVJZOYPMMF-CMPLNLGQSA-N 0 0 203.285 2.062 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(OC)cc1O ZINC000075559426 325300743 /nfs/dbraw/zinc/30/07/43/325300743.db2.gz OTFXQRSGNGHMLW-BXKDBHETSA-N 0 0 249.310 2.319 10 0 BEAERN CN(C(=O)c1scnc1C1CC1)C1CC1 ZINC000134512712 325362732 /nfs/dbraw/zinc/36/27/32/325362732.db2.gz QWXFJYOVZGJSIX-UHFFFAOYSA-N 0 0 222.313 2.255 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2cn[nH]c2)o1 ZINC000134914331 325382499 /nfs/dbraw/zinc/38/24/99/325382499.db2.gz BYEALBRZJUXXKM-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2cc[nH]n2)o1 ZINC000135190775 325399581 /nfs/dbraw/zinc/39/95/81/325399581.db2.gz DTCOVIMOPYSFDM-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN CC[C@]1(C)CN(C(=O)CCCSC)CCO1 ZINC000135323162 325407591 /nfs/dbraw/zinc/40/75/91/325407591.db2.gz QVWXIOASDRIALJ-GFCCVEGCSA-N 0 0 245.388 2.157 10 0 BEAERN C[C@H](O)C[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000548071145 325426379 /nfs/dbraw/zinc/42/63/79/325426379.db2.gz RMWLQUDTTFGAOK-MVKMKZAISA-N 0 0 239.359 2.185 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)N2[C@H](C)COC[C@H]2C)C1 ZINC000247537727 325593679 /nfs/dbraw/zinc/59/36/79/325593679.db2.gz JUVQRYHGWYGBLZ-LPWJVIDDSA-N 0 0 239.359 2.449 10 0 BEAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000155684803 326207823 /nfs/dbraw/zinc/20/78/23/326207823.db2.gz PMZWIOJEMAHAQO-YPMHNXCESA-N 0 0 238.375 2.022 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000157385357 326272141 /nfs/dbraw/zinc/27/21/41/326272141.db2.gz QZUMMRAPRCUELB-GHMZBOCLSA-N 0 0 227.348 2.354 10 0 BEAERN CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073894990 487983197 /nfs/dbraw/zinc/98/31/97/487983197.db2.gz FTSJVFVAMPLULY-RQJHMYQMSA-N 0 0 224.226 2.037 10 0 BEAERN CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073894987 487983459 /nfs/dbraw/zinc/98/34/59/487983459.db2.gz FTSJVFVAMPLULY-NKWVEPMBSA-N 0 0 224.226 2.037 10 0 BEAERN Cc1cccc(-c2nnc3ccccn32)n1 ZINC000584629556 488019665 /nfs/dbraw/zinc/01/96/65/488019665.db2.gz FVIDCGLLQPCDRX-UHFFFAOYSA-N 0 0 210.240 2.100 10 0 BEAERN CCc1nc(C)cc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000672167028 488098993 /nfs/dbraw/zinc/09/89/93/488098993.db2.gz CVKJPSKVELTSRC-QWRGUYRKSA-N 0 0 235.331 2.063 10 0 BEAERN CCc1cc(CC)nc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000672167088 488100260 /nfs/dbraw/zinc/10/02/60/488100260.db2.gz KDURZZGMFHTJPY-STQMWFEESA-N 0 0 249.358 2.317 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300224919 487505055 /nfs/dbraw/zinc/50/50/55/487505055.db2.gz PVSAMJHVSMDOLB-DGCLKSJQSA-N 0 0 227.348 2.464 10 0 BEAERN Cc1ncccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667913041 488155439 /nfs/dbraw/zinc/15/54/39/488155439.db2.gz WEBRVNWJVYTVAH-AAEUAGOBSA-N 0 0 218.300 2.369 10 0 BEAERN O[C@H]1CCC[C@H](CN2CCC[C@H]2C(F)F)C1 ZINC000660149497 487698128 /nfs/dbraw/zinc/69/81/28/487698128.db2.gz YLHQKGCQISSPMT-DCAQKATOSA-N 0 0 233.302 2.267 10 0 BEAERN CC(C)Oc1cnc2c(Cl)nccc2n1 ZINC000584645676 488022908 /nfs/dbraw/zinc/02/29/08/488022908.db2.gz BTCFGDXPADOWFD-UHFFFAOYSA-N 0 0 223.663 2.465 10 0 BEAERN CCn1nc(C)cc1-c1cccc(N)c1 ZINC000257813189 488089319 /nfs/dbraw/zinc/08/93/19/488089319.db2.gz ASRFLSHSQSBNJW-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN Cc1csc(C(=O)N[C@H]2CCC[C@@H](O)C2)c1 ZINC000077103008 488151489 /nfs/dbraw/zinc/15/14/89/488151489.db2.gz KMBBFQSQCHRCMA-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN COc1ncccc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667912328 488154402 /nfs/dbraw/zinc/15/44/02/488154402.db2.gz DUZUZSYXJSZDFC-CMPLNLGQSA-N 0 0 234.299 2.070 10 0 BEAERN Cc1ncccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667913042 488155692 /nfs/dbraw/zinc/15/56/92/488155692.db2.gz WEBRVNWJVYTVAH-DGCLKSJQSA-N 0 0 218.300 2.369 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1noc2c1CCCCC2 ZINC000134064132 488165525 /nfs/dbraw/zinc/16/55/25/488165525.db2.gz DYZVEIZORDAASL-PSASIEDQSA-N 0 0 234.299 2.082 10 0 BEAERN Cc1nc([C@H](C)O)sc1Br ZINC000169060531 488198451 /nfs/dbraw/zinc/19/84/51/488198451.db2.gz YLVVEAGUPPAAHQ-BYPYZUCNSA-N 0 0 222.107 2.267 10 0 BEAERN CCC[C@@H](O)Cc1nc(CC(C)(C)C)no1 ZINC000069052445 490141091 /nfs/dbraw/zinc/14/10/91/490141091.db2.gz XQVTYXUCBBMLFL-SECBINFHSA-N 0 0 226.320 2.362 10 0 BEAERN C[C@@H](NC(N)=O)c1ccccc1Br ZINC000078268977 490160803 /nfs/dbraw/zinc/16/08/03/490160803.db2.gz OSVWMFKBQHHITH-ZCFIWIBFSA-N 0 0 243.104 2.178 10 0 BEAERN CCC[C@@H]1CN(c2ccccc2N)CC[C@@H]1O ZINC000409433759 490243650 /nfs/dbraw/zinc/24/36/50/490243650.db2.gz NJNDJPMTLBFVGS-RISCZKNCSA-N 0 0 234.343 2.256 10 0 BEAERN COc1ccccc1O[C@@]1(C)NCCS1 ZINC000198858510 490245021 /nfs/dbraw/zinc/24/50/21/490245021.db2.gz SZIWPSBEKTUDIZ-LLVKDONJSA-N 0 0 225.313 2.084 10 0 BEAERN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1 ZINC000250645595 490253348 /nfs/dbraw/zinc/25/33/48/490253348.db2.gz VDPGGCZZSHUHAC-JGPRNRPPSA-N 0 0 216.284 2.091 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CCO[C@H](C)C1 ZINC000413218031 490274136 /nfs/dbraw/zinc/27/41/36/490274136.db2.gz GLHQDTMTOWDZBB-VXGBXAGGSA-N 0 0 249.358 2.249 10 0 BEAERN C[C@H](OCC1CC1)C(=O)NCCC1=CCCC1 ZINC000131176120 490295942 /nfs/dbraw/zinc/29/59/42/490295942.db2.gz DNBDWOBYHAMIJV-NSHDSACASA-N 0 0 237.343 2.418 10 0 BEAERN CCC(CC)CNC(=O)c1cnn2c1CCCC2 ZINC000126669344 490314029 /nfs/dbraw/zinc/31/40/29/490314029.db2.gz HXTQPCYTOCEYIB-UHFFFAOYSA-N 0 0 249.358 2.385 10 0 BEAERN CCc1ccccc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000130391021 490385151 /nfs/dbraw/zinc/38/51/51/490385151.db2.gz DFLOUTRQZMRCAL-VXGBXAGGSA-N 0 0 247.338 2.498 10 0 BEAERN COc1cccc(C(=O)N[C@H](C)C2CCC2)c1O ZINC000125895455 490470380 /nfs/dbraw/zinc/47/03/80/490470380.db2.gz TZHADWDOPIMZLX-SECBINFHSA-N 0 0 249.310 2.319 10 0 BEAERN O=c1[nH]ncc(N[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC000393172893 490490346 /nfs/dbraw/zinc/49/03/46/490490346.db2.gz GSUUNWOCAQOMAO-XLPZGREQSA-N 0 0 239.706 2.436 10 0 BEAERN CCN(C[C@H](C)CO)c1cccc(F)c1 ZINC000121323305 491102567 /nfs/dbraw/zinc/10/25/67/491102567.db2.gz CRMWAZIAPALQIG-JTQLQIEISA-N 0 0 211.280 2.280 10 0 BEAERN CCc1c(C(=O)N[C@@H]2C[C@@H]2C)cnn1CC(C)C ZINC000129611644 491114330 /nfs/dbraw/zinc/11/43/30/491114330.db2.gz MKXLLPXSAGOTDM-CMPLNLGQSA-N 0 0 249.358 2.240 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1scnc1C1CC1 ZINC000089814854 491120025 /nfs/dbraw/zinc/12/00/25/491120025.db2.gz IFYNICJBCIZDKA-XPUUQOCRSA-N 0 0 222.313 2.159 10 0 BEAERN Cc1cc(C(C)C)nc(N2C[C@H](C)C[C@@H](O)C2)n1 ZINC000401539378 491128135 /nfs/dbraw/zinc/12/81/35/491128135.db2.gz MCXSBEJIQUCEDV-ZYHUDNBSSA-N 0 0 249.358 2.116 10 0 BEAERN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@@H]1C ZINC000131858511 491133512 /nfs/dbraw/zinc/13/35/12/491133512.db2.gz WZOSNEOWUOHSDJ-VHSXEESVSA-N 0 0 238.356 2.190 10 0 BEAERN CCC[C@@H](O)Cc1nc([C@@H](C)CC)no1 ZINC000082563097 491148342 /nfs/dbraw/zinc/14/83/42/491148342.db2.gz MKRXDSWLBWACNF-DTWKUNHWSA-N 0 0 212.293 2.287 10 0 BEAERN C[C@@H](CCc1ccccc1)C[C@@H](C[NH3+])C(=O)[O-] ZINC000145923153 582496508 /nfs/dbraw/zinc/49/65/08/582496508.db2.gz OAMLTMAKONMRPS-AAEUAGOBSA-N 0 0 235.327 2.305 10 0 BEAERN CC(=O)c1cnc([C@H](O)C(C)(C)F)s1 ZINC000757131365 582505839 /nfs/dbraw/zinc/50/58/39/582505839.db2.gz RMUJSLBIVTTXAO-ZETCQYMHSA-N 0 0 217.265 2.127 10 0 BEAERN Cc1cc(C[C@@H]2COC[C@H]2O)ccc1Cl ZINC000757150650 582534855 /nfs/dbraw/zinc/53/48/55/582534855.db2.gz FSAJFVDUINQHLQ-ZYHUDNBSSA-N 0 0 226.703 2.198 10 0 BEAERN COC(CSCc1occc1C)OC ZINC000757163792 582545263 /nfs/dbraw/zinc/54/52/63/582545263.db2.gz DUCBWNIXQPMZGV-UHFFFAOYSA-N 0 0 216.302 2.440 10 0 BEAERN CCCc1cnn(-c2cccnc2C=O)c1 ZINC000757164068 582545784 /nfs/dbraw/zinc/54/57/84/582545784.db2.gz RXOMMIDXFBGHEW-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C12CCCC2 ZINC000757169103 582549212 /nfs/dbraw/zinc/54/92/12/582549212.db2.gz WXOJCDWRQAYWJJ-ZJUUUORDSA-N 0 0 241.331 2.205 10 0 BEAERN Cc1cc(Cl)ccc1[C@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757193405 582557345 /nfs/dbraw/zinc/55/73/45/582557345.db2.gz PATVXSJWGFSOOO-MNOVXSKESA-N 0 0 239.702 2.036 10 0 BEAERN C[C@H](O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000049818386 518183576 /nfs/dbraw/zinc/18/35/76/518183576.db2.gz KSWCVBJPYNSMRK-QWRGUYRKSA-N 0 0 221.300 2.025 10 0 BEAERN Cc1nc(CN2C[C@@H]3O[C@@H](C)C[C@H]3C2)cs1 ZINC000503718646 534369882 /nfs/dbraw/zinc/36/98/82/534369882.db2.gz IGRAPARDJKFZDB-PEXQALLHSA-N 0 0 238.356 2.061 10 0 BEAERN Cc1nc(CNC(=O)OC(C)C)sc1C ZINC000496142836 534380020 /nfs/dbraw/zinc/38/00/20/534380020.db2.gz PJNNBTZVIQSRDA-UHFFFAOYSA-N 0 0 228.317 2.395 10 0 BEAERN CC(C)(C)OC(=O)c1c[nH]nc1Cl ZINC000299890442 518858043 /nfs/dbraw/zinc/85/80/43/518858043.db2.gz ZTTIAFJUHZMNRS-UHFFFAOYSA-N 0 0 202.641 2.018 10 0 BEAERN CCO[C@@H]1CCCC[C@H]1CC(=O)OC ZINC000085396278 520316954 /nfs/dbraw/zinc/31/69/54/520316954.db2.gz SKOMMVNYXOLGGZ-VHSXEESVSA-N 0 0 200.278 2.145 10 0 BEAERN CC1(C)C[C@H](O)c2cc3nc[nH]c3cc21 ZINC000057347027 520558870 /nfs/dbraw/zinc/55/88/70/520558870.db2.gz GIAUMBKASKASBS-NSHDSACASA-N 0 0 202.257 2.278 10 0 BEAERN Ic1ccc2c(c1)CCN2 ZINC000034172481 534539754 /nfs/dbraw/zinc/53/97/54/534539754.db2.gz AADZERKEXPUPGY-UHFFFAOYSA-N 0 0 245.063 2.259 10 0 BEAERN CCOC(=O)c1oc2c(c1C)[C@H](O)C[C@@H](C)C2 ZINC000057348309 521608521 /nfs/dbraw/zinc/60/85/21/521608521.db2.gz RUPJRWBPUXWVOF-VXNVDRBHSA-N 0 0 238.283 2.380 10 0 BEAERN CN(C)[C@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000095532616 522068764 /nfs/dbraw/zinc/06/87/64/522068764.db2.gz OWPIKIKCXVNFBR-VIFPVBQESA-N 0 0 247.125 2.081 10 0 BEAERN CC(C)(C)OC(=O)N1CC(=O)Nc2ccccc21 ZINC000038919258 534776028 /nfs/dbraw/zinc/77/60/28/534776028.db2.gz RNENMGSJRWQVLJ-UHFFFAOYSA-N 0 0 248.282 2.380 10 0 BEAERN Cc1cc(Cl)nc(CN2CCCCC2)n1 ZINC000026443803 524917273 /nfs/dbraw/zinc/91/72/73/524917273.db2.gz YRQWCNLHEPJUKR-UHFFFAOYSA-N 0 0 225.723 2.424 10 0 BEAERN CC(C)OC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000496375180 527819812 /nfs/dbraw/zinc/81/98/12/527819812.db2.gz FZRQSWCNPLMDIR-IUCAKERBSA-N 0 0 215.293 2.077 10 0 BEAERN CC(C)OC(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000307160484 527828106 /nfs/dbraw/zinc/82/81/06/527828106.db2.gz DUXSIPMNCHJBID-YUMQZZPRSA-N 0 0 203.307 2.015 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000401691064 529308078 /nfs/dbraw/zinc/30/80/78/529308078.db2.gz FZHSISYFVZLYKM-JHJVBQTASA-N 0 0 241.375 2.288 10 0 BEAERN CC(C)n1c(N)nnc1SCCC1CC1 ZINC000083926904 535044088 /nfs/dbraw/zinc/04/40/88/535044088.db2.gz VPLVFERTDNWVMM-UHFFFAOYSA-N 0 0 226.349 2.333 10 0 BEAERN CC(C)[C@@H](C)N1C(=O)N(C)C2(CCCC2)C1=O ZINC000336211737 535162527 /nfs/dbraw/zinc/16/25/27/535162527.db2.gz GUIDBDKQKAGBTR-SNVBAGLBSA-N 0 0 238.331 2.238 10 0 BEAERN CC(C)(CO)CN1CCCc2ccccc21 ZINC000049817520 535167580 /nfs/dbraw/zinc/16/75/80/535167580.db2.gz DNLJEWNFSGAHPU-UHFFFAOYSA-N 0 0 219.328 2.458 10 0 BEAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000335968469 535202765 /nfs/dbraw/zinc/20/27/65/535202765.db2.gz ZPFFEKROIIMGQH-VXGBXAGGSA-N 0 0 239.359 2.306 10 0 BEAERN CC1(C)CC[C@H](n2cnc3[nH]ccc3c2=O)C1 ZINC000335300227 535329405 /nfs/dbraw/zinc/32/94/05/535329405.db2.gz FOYZOCSUYCCMBV-VIFPVBQESA-N 0 0 231.299 2.476 10 0 BEAERN CC(C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000057330831 535340628 /nfs/dbraw/zinc/34/06/28/535340628.db2.gz ONYGLYLWGRNMNH-UHFFFAOYSA-N 0 0 235.331 2.130 10 0 BEAERN CCOCCN1CCCc2ccc(N)cc21 ZINC000051296696 535590982 /nfs/dbraw/zinc/59/09/82/535590982.db2.gz VTUGMASAULPFJJ-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN CCONC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000184246543 535725988 /nfs/dbraw/zinc/72/59/88/535725988.db2.gz TTWXEFVNHLTJFT-UHFFFAOYSA-N 0 0 246.270 2.150 10 0 BEAERN CCC[C@H]1CN(C)c2cc(N)ccc2O1 ZINC000026509589 535740616 /nfs/dbraw/zinc/74/06/16/535740616.db2.gz WQCUMKNJJYHFSK-JTQLQIEISA-N 0 0 206.289 2.266 10 0 BEAERN CC[C@@H](NC(=O)c1cncc(Cl)n1)C(C)C ZINC000232245383 535801989 /nfs/dbraw/zinc/80/19/89/535801989.db2.gz MUMHUCOXGXSNIL-MRVPVSSYSA-N 0 0 241.722 2.294 10 0 BEAERN CC[C@@H]1COCCN1c1ccc(F)cc1N ZINC000036322784 535837349 /nfs/dbraw/zinc/83/73/49/535837349.db2.gz UPLRVFUUAXIUMS-SNVBAGLBSA-N 0 0 224.279 2.023 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000185372378 535960099 /nfs/dbraw/zinc/96/00/99/535960099.db2.gz LOQNWQFWXIJHOR-KXNHARMFSA-N 0 0 225.332 2.201 10 0 BEAERN CCn1c(C)nnc1CN(C)c1ccc(F)cc1 ZINC000195093983 535972174 /nfs/dbraw/zinc/97/21/74/535972174.db2.gz GDGHHCALDPPAHZ-UHFFFAOYSA-N 0 0 248.305 2.382 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000253278362 536121735 /nfs/dbraw/zinc/12/17/35/536121735.db2.gz NXZGXGQSDNDVCV-SRVKXCTJSA-N 0 0 227.348 2.306 10 0 BEAERN CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000115876299 537905165 /nfs/dbraw/zinc/90/51/65/537905165.db2.gz MJGWLGNBRPVODR-GXSJLCMTSA-N 0 0 241.331 2.469 10 0 BEAERN CC(F)(F)C(=O)C=C(O)C1CCCC1 ZINC000300844914 566271326 /nfs/dbraw/zinc/27/13/26/566271326.db2.gz FZJKYSQUKCYEHM-UHFFFAOYSA-N 0 0 204.216 2.360 10 0 BEAERN CC[C@@H](C)c1coc(C[NH2+]C)c1C(=O)[O-] ZINC000675051883 566374555 /nfs/dbraw/zinc/37/45/55/566374555.db2.gz WHIKAHOEBPBPHT-SSDOTTSWSA-N 0 0 211.261 2.211 10 0 BEAERN CC[C@H](C)c1coc(C[NH2+]C)c1C(=O)[O-] ZINC000675051884 566374780 /nfs/dbraw/zinc/37/47/80/566374780.db2.gz WHIKAHOEBPBPHT-ZETCQYMHSA-N 0 0 211.261 2.211 10 0 BEAERN CC(C)(C)OC(=O)C1(F)C(F)(F)C1(F)F ZINC000669381248 566425624 /nfs/dbraw/zinc/42/56/24/566425624.db2.gz CSZDEPYOCJNYHV-UHFFFAOYSA-N 0 0 232.148 2.321 10 0 BEAERN CC(C(=O)C(C)(F)F)=C(O)[C@H]1C[C@@H]1C ZINC000321702736 566482927 /nfs/dbraw/zinc/48/29/27/566482927.db2.gz DKTSUKDJLDDREX-XVMARJQXSA-N 0 0 204.216 2.072 10 0 BEAERN O[C@@H]1C=Cc2ccc3ccccc3c2[C@@H]1O ZINC000000902071 560179892 /nfs/dbraw/zinc/17/98/92/560179892.db2.gz FOTICWSJABVKPW-TZMCWYRMSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN CC1(C)CC23C4COC(=O)C2CCC1C3CC4=O ZINC000004098173 560195388 /nfs/dbraw/zinc/19/53/88/560195388.db2.gz BBIDMUQZCCGABN-UXSWQMMLSA-N 0 0 248.322 2.191 10 0 biogenic,in-vitro BEAERN CC1(C)C[C@H]1NC(=O)NCC[C@H]1CCCCO1 ZINC000332836102 583302820 /nfs/dbraw/zinc/30/28/20/583302820.db2.gz DVVOMDMLAQQJMP-GHMZBOCLSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1ncsc1COC(=O)c1cccnc1 ZINC000111955887 588776272 /nfs/dbraw/zinc/77/62/72/588776272.db2.gz MJDBPGITWOQXMA-UHFFFAOYSA-N 0 0 234.280 2.204 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)OCC(=O)C1CC1 ZINC000112119799 588782551 /nfs/dbraw/zinc/78/25/51/588782551.db2.gz AUSWSVGXFSYKSB-LLVKDONJSA-N 0 0 246.306 2.388 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCC(C)(C)C2 ZINC000234594147 582461125 /nfs/dbraw/zinc/46/11/25/582461125.db2.gz SHCVFWWNQWFTSR-ZJUUUORDSA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCC[C@@H]2C ZINC000234594370 582461170 /nfs/dbraw/zinc/46/11/70/582461170.db2.gz MNILIKVOUXKIND-SFGNSQDASA-N 0 0 218.680 2.074 10 0 BEAERN Cc1cccc(-n2ncc3ncccc32)n1 ZINC000757122845 582497564 /nfs/dbraw/zinc/49/75/64/582497564.db2.gz XZPPVWUEGYWKCK-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN CCCCC(=O)c1nc(C)c(CCO)s1 ZINC000757124995 582500294 /nfs/dbraw/zinc/50/02/94/582500294.db2.gz RYGOFOAZWKZUJM-UHFFFAOYSA-N 0 0 227.329 2.359 10 0 BEAERN CC[C@@H](C)[C@H](O)c1ncc(C(=O)OC)s1 ZINC000757125734 582500345 /nfs/dbraw/zinc/50/03/45/582500345.db2.gz TUXBJQFAMSUFAQ-SVRRBLITSA-N 0 0 229.301 2.009 10 0 BEAERN Cc1nc(C(=O)CC(C)C)sc1CO ZINC000757127614 582503515 /nfs/dbraw/zinc/50/35/15/582503515.db2.gz ZZFFSUJDXSJQRI-UHFFFAOYSA-N 0 0 213.302 2.173 10 0 BEAERN CCc1nc([C@@H](O)C(C)(C)C)sc1N ZINC000757129601 582504169 /nfs/dbraw/zinc/50/41/69/582504169.db2.gz NOXIFQGPBHTQHB-SSDOTTSWSA-N 0 0 214.334 2.367 10 0 BEAERN CC[C@H](C)C1N=NC(=S)N1CCF ZINC000757131130 582505727 /nfs/dbraw/zinc/50/57/27/582505727.db2.gz NVWJXCTWSDJYKS-LURJTMIESA-N 0 0 203.286 2.050 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1ncc(C(C)=O)s1 ZINC000757133690 582509938 /nfs/dbraw/zinc/50/99/38/582509938.db2.gz WUCYIFMMTZGTFM-HZGVNTEJSA-N 0 0 213.302 2.425 10 0 BEAERN CC1(C)C[C@]2(CO1)N[C@@H](c1ccco1)CCO2 ZINC000757147096 582530186 /nfs/dbraw/zinc/53/01/86/582530186.db2.gz MBJBXXPSCMXPGD-MFKMUULPSA-N 0 0 237.299 2.226 10 0 BEAERN O[C@H](CF)CSCc1ccc(Cl)o1 ZINC000757166076 582547903 /nfs/dbraw/zinc/54/79/03/582547903.db2.gz QHHIBBVCUZVRTK-ZCFIWIBFSA-N 0 0 224.684 2.497 10 0 BEAERN Cc1cc(=S)n([C@H](C)C2CCOCC2)[nH]1 ZINC000757165772 582547918 /nfs/dbraw/zinc/54/79/18/582547918.db2.gz LZEQDNCNONMPMQ-SECBINFHSA-N 0 0 226.345 2.468 10 0 BEAERN Cc1nn(-c2ccc(O)cc2)c(N)c1Cl ZINC000757170783 582550934 /nfs/dbraw/zinc/55/09/34/582550934.db2.gz JYDHNMBOSOTMFB-UHFFFAOYSA-N 0 0 223.663 2.122 10 0 BEAERN Cc1nn(C2CCC(C)(C)CC2)cc1C(N)=O ZINC000757195119 582558223 /nfs/dbraw/zinc/55/82/23/582558223.db2.gz DJNZYQURCPZKIY-UHFFFAOYSA-N 0 0 235.331 2.432 10 0 BEAERN CC(=O)c1ccc([C@H]2C[C@H](C(=O)[O-])CC[NH2+]2)cc1 ZINC000757209753 582560117 /nfs/dbraw/zinc/56/01/17/582560117.db2.gz CHSOJBIMJNSFFA-CHWSQXEVSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@H]1CC[NH2+]C[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757217840 582561537 /nfs/dbraw/zinc/56/15/37/582561537.db2.gz SPRMXUYRSNGPMX-JOYOIKCWSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@@H]1CCn2nc(-c3ccccc3)nc2N1 ZINC000235398907 582576546 /nfs/dbraw/zinc/57/65/46/582576546.db2.gz OOFSOCULPCBFHM-SECBINFHSA-N 0 0 214.272 2.149 10 0 BEAERN C[C@@H]1CCn2nc(-c3ccncc3)cc2N1 ZINC000235399353 582576979 /nfs/dbraw/zinc/57/69/79/582576979.db2.gz UYHBFFCMGGNHEB-SECBINFHSA-N 0 0 214.272 2.149 10 0 BEAERN C[C@@H]1C[C@@H](C)n2nc3c(c2N1)CCCN3 ZINC000235409790 582578078 /nfs/dbraw/zinc/57/80/78/582578078.db2.gz ILNMZDQWVRVPTN-HTQZYQBOSA-N 0 0 206.293 2.006 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2c3c(nn21)NCCC3 ZINC000235741308 582606235 /nfs/dbraw/zinc/60/62/35/582606235.db2.gz ILNMZDQWVRVPTN-JGVFFNPUSA-N 0 0 206.293 2.006 10 0 BEAERN Cc1ccsc1-c1nc2n(n1)CCCN2 ZINC000235784196 582610083 /nfs/dbraw/zinc/61/00/83/582610083.db2.gz XQOLEFLISQMKSR-UHFFFAOYSA-N 0 0 220.301 2.131 10 0 BEAERN Cc1ccc([C@@H]2CNc3ccnn3C2)cc1 ZINC000236000618 582635600 /nfs/dbraw/zinc/63/56/00/582635600.db2.gz RGROOOHXIMUOST-GFCCVEGCSA-N 0 0 213.284 2.401 10 0 BEAERN Cc1nc2n(n1)[C@H](C1CCCC1)CCN2 ZINC000236035059 582636676 /nfs/dbraw/zinc/63/66/76/582636676.db2.gz NHQIOKMLBNNLIH-JTQLQIEISA-N 0 0 206.293 2.133 10 0 BEAERN FC(F)[C@H]1CCNc2c3cccnc3nn21 ZINC000236128573 582639588 /nfs/dbraw/zinc/63/95/88/582639588.db2.gz MVPOJQDHHNZDCF-SSDOTTSWSA-N 0 0 224.214 2.053 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccccc1 ZINC000234591034 582642549 /nfs/dbraw/zinc/64/25/49/582642549.db2.gz KWMQSPQCPXCPFD-GHMZBOCLSA-N 0 0 226.659 2.040 10 0 BEAERN Cc1cc(N)nn1C[C@H]1CCC[C@H](C)C1 ZINC000379775687 582683490 /nfs/dbraw/zinc/68/34/90/582683490.db2.gz CUJOJBCBKTVXSL-ONGXEEELSA-N 0 0 207.321 2.430 10 0 BEAERN Nc1cn(Cc2csc(Cl)c2)ccc1=O ZINC000382291899 582701305 /nfs/dbraw/zinc/70/13/05/582701305.db2.gz QZHCTDZMXHSORO-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN C[C@H]1CCC[C@@H](n2cccc(N)c2=O)C1 ZINC000725249108 582741240 /nfs/dbraw/zinc/74/12/40/582741240.db2.gz IYVKCUWOOKBTJN-VHSXEESVSA-N 0 0 206.289 2.182 10 0 BEAERN COCCCCC(=O)OCc1ccoc1C ZINC000113677046 588848163 /nfs/dbraw/zinc/84/81/63/588848163.db2.gz PVNZIXZLWKDYGL-UHFFFAOYSA-N 0 0 226.272 2.448 10 0 BEAERN C[C@H](Cn1cc(Br)c(N)n1)C1CC1 ZINC000725249720 582743093 /nfs/dbraw/zinc/74/30/93/582743093.db2.gz CHVXIWNGOHJPSH-ZCFIWIBFSA-N 0 0 244.136 2.274 10 0 BEAERN CCOC(=O)[C@@H](CC)C(=O)C1CCCC1 ZINC000043501902 582790918 /nfs/dbraw/zinc/79/09/18/582790918.db2.gz YJWZDQCJUJMDIC-JTQLQIEISA-N 0 0 212.289 2.335 10 0 BEAERN CC[C@@H](C)OC(=O)CCc1ccncc1 ZINC000119821368 582806655 /nfs/dbraw/zinc/80/66/55/582806655.db2.gz BKGBMKDWLWJWLE-SNVBAGLBSA-N 0 0 207.273 2.356 10 0 BEAERN CC(=O)[C@H]1CCCN(c2cc(C(C)C)ncn2)C1 ZINC000111691058 582817827 /nfs/dbraw/zinc/81/78/27/582817827.db2.gz WJNFFZWQSSSGGC-LBPRGKRZSA-N 0 0 247.342 2.405 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)c2ncc(C=O)cn2)C1 ZINC000126288909 582858573 /nfs/dbraw/zinc/85/85/73/582858573.db2.gz HSDXGBHJHPBLRU-CMPLNLGQSA-N 0 0 233.315 2.304 10 0 BEAERN CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000300251188 582895967 /nfs/dbraw/zinc/89/59/67/582895967.db2.gz CEQUCOJAUFWTKB-ZSBIGDGJSA-N 0 0 230.311 2.481 10 0 BEAERN CCOC(=O)C(F)(F)c1ccc(Cl)nc1 ZINC000261187848 582904586 /nfs/dbraw/zinc/90/45/86/582904586.db2.gz MOODARGYEGTZII-UHFFFAOYSA-N 0 0 235.617 2.390 10 0 BEAERN CC1(Cn2cc(N)ccc2=O)CCCC1 ZINC000393760627 582922543 /nfs/dbraw/zinc/92/25/43/582922543.db2.gz KZKIIVOAYWYXNS-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN Cc1cc(Cl)ccc1[C@@H](O)c1cn[nH]c1 ZINC000708446425 582979265 /nfs/dbraw/zinc/97/92/65/582979265.db2.gz IZHZGJBOQRCRHI-NSHDSACASA-N 0 0 222.675 2.453 10 0 BEAERN CC[C@@H](C(=O)CCOC)C(=O)C(C)(C)C ZINC000395298690 583052007 /nfs/dbraw/zinc/05/20/07/583052007.db2.gz SCVYVUNXJFROOX-VIFPVBQESA-N 0 0 214.305 2.233 10 0 BEAERN Cc1nn(-c2cc(F)cc(F)c2)cc1C=O ZINC000114446803 588874492 /nfs/dbraw/zinc/87/44/92/588874492.db2.gz RHHZZJMCGNTWOC-UHFFFAOYSA-N 0 0 222.194 2.271 10 0 BEAERN Cc1nnsc1[C@H]1NCCc2sccc21 ZINC000397253084 583099079 /nfs/dbraw/zinc/09/90/79/583099079.db2.gz WMXDBXSSYTWKLE-VIFPVBQESA-N 0 0 237.353 2.143 10 0 BEAERN CC(C(=O)C(F)(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397625104 583103425 /nfs/dbraw/zinc/10/34/25/583103425.db2.gz SZQSDSCIXPSHQN-WDSKDSINSA-N 0 0 222.206 2.369 10 0 BEAERN FC(F)[C@@H]1CCNc2c3cccnc3nn21 ZINC000236125673 583211258 /nfs/dbraw/zinc/21/12/58/583211258.db2.gz MVPOJQDHHNZDCF-ZETCQYMHSA-N 0 0 224.214 2.053 10 0 BEAERN CCCCCC[C@H](C)NC(=O)NCC[C@@H](C)O ZINC000114818708 588884761 /nfs/dbraw/zinc/88/47/61/588884761.db2.gz UGCGBPIMNCEOMJ-NWDGAFQWSA-N 0 0 244.379 2.415 10 0 BEAERN CC[C@@H](C[C@H](C)O)NC(=O)OC(C)(C)C ZINC000204969270 583392391 /nfs/dbraw/zinc/39/23/91/583392391.db2.gz TUOHMCNHHUDBAX-IUCAKERBSA-N 0 0 217.309 2.061 10 0 BEAERN COC(C)(C)C1N=NC(=S)N1C(C)C ZINC000230939357 583585889 /nfs/dbraw/zinc/58/58/89/583585889.db2.gz MJLNENXJHWOWPS-UHFFFAOYSA-N 0 0 215.322 2.029 10 0 BEAERN CCCOCn1ncc2ccc(N)cc21 ZINC000709724211 583592405 /nfs/dbraw/zinc/59/24/05/583592405.db2.gz MMOQLIBCEYFIBE-UHFFFAOYSA-N 0 0 205.261 2.003 10 0 BEAERN C/C=C/COC(=O)c1cccc(-n2cncn2)c1 ZINC000115736320 588925394 /nfs/dbraw/zinc/92/53/94/588925394.db2.gz ZMAUVSJREGOLOS-NSCUHMNNSA-N 0 0 243.266 2.000 10 0 BEAERN COC(=O)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000146014596 583907906 /nfs/dbraw/zinc/90/79/06/583907906.db2.gz ZCKJJTYJKDQPJX-VIFPVBQESA-N 0 0 204.269 2.452 10 0 BEAERN COC[C@H](C)C(=O)OC[C@@H]1CC=CC[C@@H]1C ZINC000103357773 585096623 /nfs/dbraw/zinc/09/66/23/585096623.db2.gz WIXVVXRHMRHHPU-SRVKXCTJSA-N 0 0 226.316 2.414 10 0 BEAERN COC[C@H](C)C(=O)OC[C@H]1CC=CCC1 ZINC000103356661 585096759 /nfs/dbraw/zinc/09/67/59/585096759.db2.gz NWDLTDSPFFYJHR-QWRGUYRKSA-N 0 0 212.289 2.168 10 0 BEAERN CCc1nc(COC(=O)[C@@H](C)COC)cs1 ZINC000103552399 585335819 /nfs/dbraw/zinc/33/58/19/585335819.db2.gz KJWUQDOTTPUSAH-QMMMGPOBSA-N 0 0 243.328 2.031 10 0 BEAERN COC[C@@H](C)C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000103552358 585335955 /nfs/dbraw/zinc/33/59/55/585335955.db2.gz AYNKIIITIQORLH-RQJHMYQMSA-N 0 0 241.114 2.006 10 0 BEAERN COC[C@@H](C)C(=O)OCCCOC1CCCC1 ZINC000103658715 586271473 /nfs/dbraw/zinc/27/14/73/586271473.db2.gz YLYNOZFJYSNZOL-LLVKDONJSA-N 0 0 244.331 2.161 10 0 BEAERN COCCCOC(=O)Cc1ccc(C)s1 ZINC000103658889 586271481 /nfs/dbraw/zinc/27/14/81/586271481.db2.gz XXGMJBAHSNQZKJ-UHFFFAOYSA-N 0 0 228.313 2.179 10 0 BEAERN Fc1ccc(Br)cc1-c1nnc[nH]1 ZINC000757566767 586306444 /nfs/dbraw/zinc/30/64/44/586306444.db2.gz NTJWPVITPRTXCO-UHFFFAOYSA-N 0 0 242.051 2.373 10 0 BEAERN CC(C)(C)COC(=O)COCC1CC1 ZINC000103700159 586417735 /nfs/dbraw/zinc/41/77/35/586417735.db2.gz UWGOXXLQRUICCY-UHFFFAOYSA-N 0 0 200.278 2.002 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)C1CCC1 ZINC000103708621 586424573 /nfs/dbraw/zinc/42/45/73/586424573.db2.gz LPWPFGNHEBUVJW-UHFFFAOYSA-N 0 0 248.278 2.487 10 0 BEAERN CC(=O)c1csc([C@H](O)CC(C)C)n1 ZINC000757131619 586425625 /nfs/dbraw/zinc/42/56/25/586425625.db2.gz SFYQJPGJTCWYOI-SECBINFHSA-N 0 0 213.302 2.425 10 0 BEAERN Cc1cc(CNN2CCC2)ccc1Cl ZINC000757152326 586429478 /nfs/dbraw/zinc/42/94/78/586429478.db2.gz JZFFMKYSJORQDV-UHFFFAOYSA-N 0 0 210.708 2.359 10 0 BEAERN Cc1cc(C[C@@H](NN)C2CC2)ccc1Cl ZINC000757156664 586430744 /nfs/dbraw/zinc/43/07/44/586430744.db2.gz JHLCHTZWANLURY-GFCCVEGCSA-N 0 0 224.735 2.433 10 0 BEAERN OCCOCCSCc1ccc(Cl)o1 ZINC000757162095 586431697 /nfs/dbraw/zinc/43/16/97/586431697.db2.gz BJYQRICDZWYCBH-UHFFFAOYSA-N 0 0 236.720 2.175 10 0 BEAERN C[C@@H]1CCC(=O)[C@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183336 586433868 /nfs/dbraw/zinc/43/38/68/586433868.db2.gz OCVLLYPPEJEUFV-PELKAZGASA-N 0 0 230.279 2.426 10 0 BEAERN CC[N@H+]1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000757189002 586435205 /nfs/dbraw/zinc/43/52/05/586435205.db2.gz IXEDRNZXUWECHQ-QWHCGFSZSA-N 0 0 233.311 2.115 10 0 BEAERN CCOC(=O)/C=C(/CC)[C@H]1CCCOC1 ZINC000757189148 586435253 /nfs/dbraw/zinc/43/52/53/586435253.db2.gz FSTSCMXYTFXWHB-IEHMKBBKSA-N 0 0 212.289 2.313 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1ccc2sccc2c1 ZINC000757191343 586435512 /nfs/dbraw/zinc/43/55/12/586435512.db2.gz KIKOECHGLFEWCE-GHMZBOCLSA-N 0 0 247.319 2.289 10 0 BEAERN CC1(C)CCCC[C@@H]1[C@@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757192965 586435800 /nfs/dbraw/zinc/43/58/00/586435800.db2.gz OYLSFGLRSLJXPY-GMTAPVOTSA-N 0 0 225.332 2.123 10 0 BEAERN [NH3+]CC1(c2ccc(C(=O)[O-])cc2)CC(F)(F)C1 ZINC000757192573 586436126 /nfs/dbraw/zinc/43/61/26/586436126.db2.gz WQCWAWQICKVIDC-UHFFFAOYSA-N 0 0 241.237 2.010 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)C1 ZINC000757193331 586436490 /nfs/dbraw/zinc/43/64/90/586436490.db2.gz SLYVMOFQRDZEIB-KGLIPLIRSA-N 0 0 247.338 2.423 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1cccc2ccsc21 ZINC000757194229 586436557 /nfs/dbraw/zinc/43/65/57/586436557.db2.gz WSLNUSFWAOGZAC-WDEREUQCSA-N 0 0 247.319 2.289 10 0 BEAERN CC[N@H+]1C[C@@H](c2ccc(C)cc2)[C@H](C(=O)[O-])C1 ZINC000757193679 586436572 /nfs/dbraw/zinc/43/65/72/586436572.db2.gz UGCFXVSZZYCOQK-QWHCGFSZSA-N 0 0 233.311 2.115 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](c2cccs2)[NH2+]1 ZINC000757214309 586440185 /nfs/dbraw/zinc/44/01/85/586440185.db2.gz LWLMVPNMOIHAKX-HLTSFMKQSA-N 0 0 225.313 2.262 10 0 BEAERN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](C[C@H]1O)C2 ZINC000757215092 586440208 /nfs/dbraw/zinc/44/02/08/586440208.db2.gz URQMMMMCVULZKN-CWSCBRNRSA-N 0 0 241.331 2.062 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757218260 586441789 /nfs/dbraw/zinc/44/17/89/586441789.db2.gz UTCNDZROXCHYDC-NEPJUHHUSA-N 0 0 244.294 2.436 10 0 BEAERN CC(=O)c1ccc([C@@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)cc1 ZINC000757220105 586442012 /nfs/dbraw/zinc/44/20/12/586442012.db2.gz ZXKKPYGKEPRLBC-OLZOCXBDSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@H]1CC[NH2+]C[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757228506 586442643 /nfs/dbraw/zinc/44/26/43/586442643.db2.gz CVTSQGOYPKWFGM-CABZTGNLSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)C[NH2+]1 ZINC000757232503 586443170 /nfs/dbraw/zinc/44/31/70/586443170.db2.gz IOTVRYFNVZHNNT-BXKDBHETSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@@H]1C[NH2+]C[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236332 586443208 /nfs/dbraw/zinc/44/32/08/586443208.db2.gz OFNZDGXZLJVIMT-CABZTGNLSA-N 0 0 219.284 2.098 10 0 BEAERN Cc1ccc(N)cc1[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[NH2+]1 ZINC000757235737 586443732 /nfs/dbraw/zinc/44/37/32/586443732.db2.gz MOEGRVXDGQRFHP-KWBADKCTSA-N 0 0 248.326 2.091 10 0 BEAERN Cc1sc([C@H]2CCC[NH2+]C2)cc1C(=O)[O-] ZINC000757237410 586443915 /nfs/dbraw/zinc/44/39/15/586443915.db2.gz PZRHEXPLZAKYML-QMMMGPOBSA-N 0 0 225.313 2.222 10 0 BEAERN Cc1sc(C2CC[NH2+]CC2)cc1C(=O)[O-] ZINC000757239568 586444417 /nfs/dbraw/zinc/44/44/17/586444417.db2.gz UPRWDGVYAJPYAK-UHFFFAOYSA-N 0 0 225.313 2.222 10 0 BEAERN C[C@@H]1[NH2+]CCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757243213 586445142 /nfs/dbraw/zinc/44/51/42/586445142.db2.gz ZWNLWZVIQUWBKZ-CABZTGNLSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@@H](C1CCC1)n1nnc2c1ncnc2Cl ZINC000757564737 586460776 /nfs/dbraw/zinc/46/07/76/586460776.db2.gz FNNNHMVJKFATQH-LURJTMIESA-N 0 0 237.694 2.236 10 0 BEAERN CCCCCCn1nnc2c1ncnc2Cl ZINC000757564096 586461362 /nfs/dbraw/zinc/46/13/62/586461362.db2.gz BFKYAQSNVAFOTG-UHFFFAOYSA-N 0 0 239.710 2.455 10 0 BEAERN CC(C)[C@H](C)n1nnc2c1ncnc2Cl ZINC000757566203 586461486 /nfs/dbraw/zinc/46/14/86/586461486.db2.gz LGSDJYXBGKFERA-LURJTMIESA-N 0 0 225.683 2.092 10 0 BEAERN CCOc1cc(F)ccc1-c1nc[nH]n1 ZINC000757566279 586461628 /nfs/dbraw/zinc/46/16/28/586461628.db2.gz IUACPZLLNBRJMG-UHFFFAOYSA-N 0 0 207.208 2.010 10 0 BEAERN CCC(CC)n1nnc2c1ncnc2Cl ZINC000757568022 586462037 /nfs/dbraw/zinc/46/20/37/586462037.db2.gz OPAUTSYPJDUCDH-UHFFFAOYSA-N 0 0 225.683 2.236 10 0 BEAERN CC[C@@H](O)c1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757570878 586462574 /nfs/dbraw/zinc/46/25/74/586462574.db2.gz ZLVKXOLFONQBNV-SECBINFHSA-N 0 0 234.303 2.222 10 0 BEAERN NC(=O)c1ccc(-c2ccnc(Cl)c2N)cc1 ZINC000757571856 586462576 /nfs/dbraw/zinc/46/25/76/586462576.db2.gz NFKZHXNSWWPCNL-UHFFFAOYSA-N 0 0 247.685 2.083 10 0 BEAERN COc1ccc(OC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000121382569 587494217 /nfs/dbraw/zinc/49/42/17/587494217.db2.gz IHCFUCVNYNHUCZ-JOYOIKCWSA-N 0 0 236.267 2.168 10 0 BEAERN COc1ccc(OC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000121382677 587494267 /nfs/dbraw/zinc/49/42/67/587494267.db2.gz IHCFUCVNYNHUCZ-SKDRFNHKSA-N 0 0 236.267 2.168 10 0 BEAERN C=COCCOC(=O)/C=C\c1ccccc1 ZINC000201565622 589102626 /nfs/dbraw/zinc/10/26/26/589102626.db2.gz VGYZGVVUSJRNOF-HJWRWDBZSA-N 0 0 218.252 2.403 10 0 BEAERN Cc1ccc(N(C)CC(=O)NC(C)(C)C)cc1 ZINC000101562250 587761153 /nfs/dbraw/zinc/76/11/53/587761153.db2.gz WQEOHCACXXORPE-UHFFFAOYSA-N 0 0 234.343 2.346 10 0 BEAERN COCCOC(=O)[C@]1(C)CCCc2ccccc21 ZINC000101712747 587767031 /nfs/dbraw/zinc/76/70/31/587767031.db2.gz RPUIOIVNISWEOO-OAHLLOKOSA-N 0 0 248.322 2.470 10 0 BEAERN CNc1cc(C(=O)OCC2CC2)cc(Cl)n1 ZINC000121475262 587843172 /nfs/dbraw/zinc/84/31/72/587843172.db2.gz RJNVKLZXORPECQ-UHFFFAOYSA-N 0 0 240.690 2.344 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1csc(NC)n1 ZINC000121499503 587950036 /nfs/dbraw/zinc/95/00/36/587950036.db2.gz IPUZHEFDUSMULB-SFYZADRCSA-N 0 0 239.344 2.103 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)c2ncoc2C)C1 ZINC000121515320 587972535 /nfs/dbraw/zinc/97/25/35/587972535.db2.gz SZUGZRRTDGJROE-VHSXEESVSA-N 0 0 239.271 2.097 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)c2ncoc2C)C1 ZINC000121515475 587972883 /nfs/dbraw/zinc/97/28/83/587972883.db2.gz SZUGZRRTDGJROE-UWVGGRQHSA-N 0 0 239.271 2.097 10 0 BEAERN CC(C)CCSCC(=O)O[C@H]1CCOC1 ZINC000107011593 588322153 /nfs/dbraw/zinc/32/21/53/588322153.db2.gz ZENYPYYYKJRBAT-JTQLQIEISA-N 0 0 232.345 2.098 10 0 BEAERN Cc1ccc(CCC(=O)O[C@H]2CCOC2)cc1 ZINC000107011148 588322180 /nfs/dbraw/zinc/32/21/80/588322180.db2.gz XWLIDKWKOHVTOW-ZDUSSCGKSA-N 0 0 234.295 2.260 10 0 BEAERN CCCOCCOC(=O)c1cccc(F)c1 ZINC000107413144 588362370 /nfs/dbraw/zinc/36/23/70/588362370.db2.gz LGEGZCUIVGOMFT-UHFFFAOYSA-N 0 0 226.247 2.409 10 0 BEAERN CO[C@@H](C)C(=O)OC[C@H]1CCc2ccccc21 ZINC000107882063 588414780 /nfs/dbraw/zinc/41/47/80/588414780.db2.gz JWYCNDKPQUGQKP-CMPLNLGQSA-N 0 0 234.295 2.295 10 0 BEAERN O=C(COC(=O)c1cccc(Cl)c1)C1CC1 ZINC000109367284 588556572 /nfs/dbraw/zinc/55/65/72/588556572.db2.gz OGLFKZIFCVNCOS-UHFFFAOYSA-N 0 0 238.670 2.476 10 0 BEAERN CO[C@H](C)CC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110449511 588671280 /nfs/dbraw/zinc/67/12/80/588671280.db2.gz QMQAWSPUFOQDLR-MRVWCRGKSA-N 0 0 247.338 2.331 10 0 BEAERN CC[C@H](C)C(=O)OCC1(CC)COC1 ZINC000118960863 589219596 /nfs/dbraw/zinc/21/95/96/589219596.db2.gz MTIWUMVLPKINSQ-VIFPVBQESA-N 0 0 200.278 2.002 10 0 BEAERN CCCCC(=O)OCC1(CC)COC1 ZINC000118977757 589226206 /nfs/dbraw/zinc/22/62/06/589226206.db2.gz SUTQBTBYYRXPKQ-UHFFFAOYSA-N 0 0 200.278 2.146 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)C2CC=CC2)C1 ZINC000119365626 589275267 /nfs/dbraw/zinc/27/52/67/589275267.db2.gz OOQKDWRAOMULKP-VXGBXAGGSA-N 0 0 224.300 2.453 10 0 BEAERN COCc1ccc(C(=O)OCC(F)(F)F)o1 ZINC000119407774 589281578 /nfs/dbraw/zinc/28/15/78/589281578.db2.gz BBALTPZHSUNYQT-UHFFFAOYSA-N 0 0 238.161 2.145 10 0 BEAERN CCCOC(=O)[C@@H]1CCCN1c1nccs1 ZINC000119512799 589295683 /nfs/dbraw/zinc/29/56/83/589295683.db2.gz BJLWURTXPZQOET-VIFPVBQESA-N 0 0 240.328 2.065 10 0 BEAERN Cc1ccc(CCC(=O)NN2CCCCC2)cc1 ZINC000119521333 589301093 /nfs/dbraw/zinc/30/10/93/589301093.db2.gz JKTKUUAXKBCIBW-UHFFFAOYSA-N 0 0 246.354 2.445 10 0 BEAERN CCCn1cnnc1COC(=O)CC(C)(C)C ZINC000119566461 589308501 /nfs/dbraw/zinc/30/85/01/589308501.db2.gz PNMAYUYJYKMPEJ-UHFFFAOYSA-N 0 0 239.319 2.168 10 0 BEAERN Cc1c(C(=O)Oc2ccc(C)cc2)cnn1C ZINC000119604716 589314248 /nfs/dbraw/zinc/31/42/48/589314248.db2.gz PUQXTEQFYIAJNJ-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN CCSCCOC(=O)[C@@H]1CC1(C)C ZINC000120199053 589390679 /nfs/dbraw/zinc/39/06/79/589390679.db2.gz UPCAPBYVTVITRT-QMMMGPOBSA-N 0 0 202.319 2.329 10 0 BEAERN C[C@H]1CC[C@@H](CC(=O)OCC(=O)C2CC2)C1 ZINC000120292869 589401001 /nfs/dbraw/zinc/40/10/01/589401001.db2.gz JKRJMGMSECXTBK-VHSXEESVSA-N 0 0 224.300 2.335 10 0 BEAERN CO[C@H](C)c1cccc(NC(=O)N(C)OC)c1 ZINC000120421110 589412832 /nfs/dbraw/zinc/41/28/32/589412832.db2.gz LQLFPPOHMSATNV-SECBINFHSA-N 0 0 238.287 2.419 10 0 BEAERN O=C(O[C@@H]1CCOC1)c1cccc2ncccc21 ZINC000120750233 589462194 /nfs/dbraw/zinc/46/21/94/589462194.db2.gz XJDXXNSRABCTSK-SNVBAGLBSA-N 0 0 243.262 2.181 10 0 BEAERN COCCCCCNC(=O)CSC(C)(C)C ZINC000121818733 589534084 /nfs/dbraw/zinc/53/40/84/589534084.db2.gz HNRMLAQVZTYKAH-UHFFFAOYSA-N 0 0 247.404 2.451 10 0 BEAERN CC1(CNC(=O)NOCc2cccnc2)CCC1 ZINC000121971114 589544737 /nfs/dbraw/zinc/54/47/37/589544737.db2.gz WYYQDJSZXWTSSO-UHFFFAOYSA-N 0 0 249.314 2.003 10 0 BEAERN C[C@@H](OC(=O)C=C1CCC1)C1CCOCC1 ZINC000122197483 589562058 /nfs/dbraw/zinc/56/20/58/589562058.db2.gz RPYVWIOAFWEKJZ-SNVBAGLBSA-N 0 0 224.300 2.455 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCc2ccccc2)O1 ZINC000122266166 589573893 /nfs/dbraw/zinc/57/38/93/589573893.db2.gz TVGDIQWPYSHGCJ-JQWIXIFHSA-N 0 0 220.268 2.297 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCc2ccccc2F)O1 ZINC000122270180 589574230 /nfs/dbraw/zinc/57/42/30/589574230.db2.gz TVLDCHOTAQAAGQ-JOYOIKCWSA-N 0 0 238.258 2.436 10 0 BEAERN CNC(=S)N[C@H]1CCCC[C@H]1C(C)C ZINC000122412165 589586868 /nfs/dbraw/zinc/58/68/68/589586868.db2.gz PURHWFKBRRYZIB-UWVGGRQHSA-N 0 0 214.378 2.295 10 0 BEAERN CNC(=S)N[C@@H]1CCCC[C@H]1C(C)C ZINC000122412603 589587093 /nfs/dbraw/zinc/58/70/93/589587093.db2.gz PURHWFKBRRYZIB-VHSXEESVSA-N 0 0 214.378 2.295 10 0 BEAERN CCCCC[C@@H](C)CC(=O)N1CC(CO)C1 ZINC000122425493 589588960 /nfs/dbraw/zinc/58/89/60/589588960.db2.gz BDOVDRMBHWIKJD-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)CCOCCOC(=O)[C@H]1CC[C@@H](C)O1 ZINC000122941376 589644642 /nfs/dbraw/zinc/64/46/42/589644642.db2.gz ITBQUXJLCNOIGV-VXGBXAGGSA-N 0 0 244.331 2.160 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)c2cccnc2)C1 ZINC000123135343 589666109 /nfs/dbraw/zinc/66/61/09/589666109.db2.gz OQWNDBHARXTAPE-NEPJUHHUSA-N 0 0 235.283 2.196 10 0 BEAERN O=C(OC[C@H]1CC1(Cl)Cl)c1cccnc1 ZINC000123258893 589683222 /nfs/dbraw/zinc/68/32/22/589683222.db2.gz XCSFWCINQSAGQU-MRVPVSSYSA-N 0 0 246.093 2.432 10 0 BEAERN CSCCCNC(=O)CSC(C)(C)C ZINC000123731097 589788167 /nfs/dbraw/zinc/78/81/67/589788167.db2.gz IHGGLGYKBJNURP-UHFFFAOYSA-N 0 0 235.418 2.387 10 0 BEAERN CC(=O)[C@H](C)CCCCC(=O)O[C@H]1CCOC1 ZINC000124077812 589927233 /nfs/dbraw/zinc/92/72/33/589927233.db2.gz JVAIGOFOVADMQD-PWSUYJOCSA-N 0 0 242.315 2.104 10 0 BEAERN O=C(Cc1ccoc1)OCc1ccoc1 ZINC000124242593 589970758 /nfs/dbraw/zinc/97/07/58/589970758.db2.gz HPSPSKHVDJWDMF-UHFFFAOYSA-N 0 0 206.197 2.159 10 0 BEAERN CCC[C@@H](C)C(=O)OCc1nncn1CCC ZINC000124274438 589972289 /nfs/dbraw/zinc/97/22/89/589972289.db2.gz HSFPIWKSGQCZJY-SNVBAGLBSA-N 0 0 239.319 2.168 10 0 BEAERN OCCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000019787963 589980090 /nfs/dbraw/zinc/98/00/90/589980090.db2.gz PQJMJJYUHKSZNR-UHFFFAOYSA-N 0 0 249.291 2.074 10 0 BEAERN CCCCc1ccc(OC(=O)CNC(C)=O)cc1 ZINC000124501807 590034318 /nfs/dbraw/zinc/03/43/18/590034318.db2.gz CPBKSJRLHWLFPV-UHFFFAOYSA-N 0 0 249.310 2.071 10 0 BEAERN CCOc1cccnc1C(=O)O[C@H](C)CC ZINC000124534073 590048073 /nfs/dbraw/zinc/04/80/73/590048073.db2.gz KFVHECAXXQHOOF-SECBINFHSA-N 0 0 223.272 2.436 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)Cc2ccoc2)C1 ZINC000124565172 590058254 /nfs/dbraw/zinc/05/82/54/590058254.db2.gz ZIHBSGXIGGGONV-RYUDHWBXSA-N 0 0 238.283 2.323 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)Cc2ccoc2)C1 ZINC000124565385 590058643 /nfs/dbraw/zinc/05/86/43/590058643.db2.gz ZIHBSGXIGGGONV-VXGBXAGGSA-N 0 0 238.283 2.323 10 0 BEAERN CC(C)C[C@@H](C)OC(=O)CCc1ccnn1C ZINC000124633654 590068030 /nfs/dbraw/zinc/06/80/30/590068030.db2.gz DMMFOJBULGYFFH-LLVKDONJSA-N 0 0 238.331 2.331 10 0 BEAERN CC(=O)c1ccc(-n2cc(Cl)cn2)nc1 ZINC000124690115 590076070 /nfs/dbraw/zinc/07/60/70/590076070.db2.gz OCNUIPDAAXCTTD-UHFFFAOYSA-N 0 0 221.647 2.123 10 0 BEAERN Cc1ccc(OC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000124778143 590084618 /nfs/dbraw/zinc/08/46/18/590084618.db2.gz CNQAXBYHFOEZDS-JQWIXIFHSA-N 0 0 220.268 2.468 10 0 BEAERN C[C@H](O)c1ccc(N2CCC[C@H]2C)nc1 ZINC000124921269 590102008 /nfs/dbraw/zinc/10/20/08/590102008.db2.gz BYAJPJJWNFIQAN-ZJUUUORDSA-N 0 0 206.289 2.124 10 0 BEAERN C[C@@H](O)c1ccc(N(C)CC2CCC2)nc1 ZINC000124936218 590102782 /nfs/dbraw/zinc/10/27/82/590102782.db2.gz SGIZPAFHYRITTC-SNVBAGLBSA-N 0 0 220.316 2.371 10 0 BEAERN CCCCSCCC(=O)O[C@@H](C)COC ZINC000124966318 590106292 /nfs/dbraw/zinc/10/62/92/590106292.db2.gz PBOFPJNAPKNNND-JTQLQIEISA-N 0 0 234.361 2.488 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000124990832 590107747 /nfs/dbraw/zinc/10/77/47/590107747.db2.gz PZHVOJUCSZUZQP-JFGNBEQYSA-N 0 0 235.283 2.253 10 0 BEAERN CCOCC(COCC)OC(=O)CC(C)(C)C ZINC000125138750 590126114 /nfs/dbraw/zinc/12/61/14/590126114.db2.gz PKQWUBCVAKOMBP-UHFFFAOYSA-N 0 0 246.347 2.407 10 0 BEAERN CC[C@H](NC(=S)NC(C)C)c1nccs1 ZINC000125192737 590151535 /nfs/dbraw/zinc/15/15/35/590151535.db2.gz FWAMNXTWSURSLR-QMMMGPOBSA-N 0 0 243.401 2.467 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cnc(NC)s1 ZINC000125330787 590162276 /nfs/dbraw/zinc/16/22/76/590162276.db2.gz KQRJGINLUTZRGW-JGVFFNPUSA-N 0 0 239.344 2.103 10 0 BEAERN CCCNC(=S)NC[C@@H](C)C(C)C ZINC000125366902 590162783 /nfs/dbraw/zinc/16/27/83/590162783.db2.gz PIDIDKWDTPOFBF-SECBINFHSA-N 0 0 202.367 2.153 10 0 BEAERN CC(C)CNC(=S)NC[C@H](C)C(C)C ZINC000125370869 590162808 /nfs/dbraw/zinc/16/28/08/590162808.db2.gz LGWFOQHLHUACDE-JTQLQIEISA-N 0 0 216.394 2.399 10 0 BEAERN CCOCCCNC(=S)NC[C@@H](C)C(C)C ZINC000125369243 590162859 /nfs/dbraw/zinc/16/28/59/590162859.db2.gz DLCRMHXLIJUFCZ-LLVKDONJSA-N 0 0 246.420 2.169 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCCF)c1 ZINC000125600692 590173391 /nfs/dbraw/zinc/17/33/91/590173391.db2.gz MJAISBCJKVGTES-RYUDHWBXSA-N 0 0 238.258 2.311 10 0 BEAERN C=COCCOC(=O)c1cc(C)nc(Cl)c1 ZINC000126136346 590237268 /nfs/dbraw/zinc/23/72/68/590237268.db2.gz AITNIRWMROTGAG-UHFFFAOYSA-N 0 0 241.674 2.360 10 0 BEAERN CCOCCCCOC(=O)Cc1ccoc1 ZINC000126245513 590260445 /nfs/dbraw/zinc/26/04/45/590260445.db2.gz UDSGFCXZIGHUBM-UHFFFAOYSA-N 0 0 226.272 2.182 10 0 BEAERN CC(C)(CNC(=O)n1ccnc1)c1cccs1 ZINC000126326519 590280830 /nfs/dbraw/zinc/28/08/30/590280830.db2.gz HUNJCJTXILLWOA-UHFFFAOYSA-N 0 0 249.339 2.480 10 0 BEAERN CC[C@@H](OC(=O)COC)c1ccc(F)cc1 ZINC000126566958 590350484 /nfs/dbraw/zinc/35/04/84/590350484.db2.gz QMCVYQWWMPXOHT-LLVKDONJSA-N 0 0 226.247 2.466 10 0 BEAERN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccoc1 ZINC000126666318 590393985 /nfs/dbraw/zinc/39/39/85/590393985.db2.gz RXCIISXTLUHJJB-AXFHLTTASA-N 0 0 236.267 2.250 10 0 BEAERN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)C1CCC1 ZINC000126695867 590418176 /nfs/dbraw/zinc/41/81/76/590418176.db2.gz DUAAGUQSMWHHOP-AXFHLTTASA-N 0 0 224.300 2.143 10 0 BEAERN CCCC[C@H](C)OC(=O)c1ccc(C)[nH]c1=O ZINC000126796479 590446727 /nfs/dbraw/zinc/44/67/27/590446727.db2.gz XWFREVHKBFBJKS-JTQLQIEISA-N 0 0 237.299 2.419 10 0 BEAERN CCCC[C@H](C)OC(=O)[C@H](C)CC(=O)OC ZINC000126826264 590463452 /nfs/dbraw/zinc/46/34/52/590463452.db2.gz ILVNKYJUOXSDNL-ZJUUUORDSA-N 0 0 230.304 2.308 10 0 BEAERN CCc1cc(C)c(C(=O)OC[C@@H]2CCOC2)o1 ZINC000126855959 590474949 /nfs/dbraw/zinc/47/49/49/590474949.db2.gz KEQGLKSSJKFMJI-SNVBAGLBSA-N 0 0 238.283 2.344 10 0 BEAERN CC[C@H](C)C(=O)OCCc1c(C)nn(C)c1C ZINC000126935185 590510009 /nfs/dbraw/zinc/51/00/09/590510009.db2.gz YZZFBLMYFKUROT-VIFPVBQESA-N 0 0 238.331 2.169 10 0 BEAERN CC1(OC(=O)C[C@H]2CCCCO2)CCC1 ZINC000126949817 590514143 /nfs/dbraw/zinc/51/41/43/590514143.db2.gz ICEYNEVNVRKQMP-SNVBAGLBSA-N 0 0 212.289 2.431 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000127189437 590589074 /nfs/dbraw/zinc/58/90/74/590589074.db2.gz TYXQFSVMFBABEA-UTLUCORTSA-N 0 0 200.278 2.142 10 0 BEAERN CC(C)OC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000127193677 590589178 /nfs/dbraw/zinc/58/91/78/590589178.db2.gz BNKZWTLQOGSYFY-MNOVXSKESA-N 0 0 227.304 2.175 10 0 BEAERN CC(C)[C@H](C)OC(=O)COCC1CC1 ZINC000127250215 590601197 /nfs/dbraw/zinc/60/11/97/590601197.db2.gz MSHBBDLQSPHKPK-VIFPVBQESA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)OC(=O)NC[C@H]1Cc2ccccc21 ZINC000127539539 590703970 /nfs/dbraw/zinc/70/39/70/590703970.db2.gz MDVIWWGAKFISGI-LLVKDONJSA-N 0 0 219.284 2.461 10 0 BEAERN CC(C)Cc1noc([C@]2(C)CCCCN2)n1 ZINC000127572841 590713461 /nfs/dbraw/zinc/71/34/61/590713461.db2.gz KMGCBQFHUSMANR-LBPRGKRZSA-N 0 0 223.320 2.257 10 0 BEAERN CCC1(COC(=O)[C@H]2CC2(C)C)COC1 ZINC000127760897 590774567 /nfs/dbraw/zinc/77/45/67/590774567.db2.gz BSONVVHQZUGSGI-SECBINFHSA-N 0 0 212.289 2.002 10 0 BEAERN CC(=O)NCCCCCC(=O)O[C@H](C)C(C)C ZINC000127801177 590787113 /nfs/dbraw/zinc/78/71/13/590787113.db2.gz FEVUNGRYYFVLKY-LLVKDONJSA-N 0 0 243.347 2.271 10 0 BEAERN CCCNC(=S)N1C[C@@H](C)CC[C@H]1C ZINC000127948869 590850015 /nfs/dbraw/zinc/85/00/15/590850015.db2.gz VZSXXYNLHZIFBX-VHSXEESVSA-N 0 0 214.378 2.391 10 0 BEAERN Cc1cc([C@H]2CCCC(=O)N2)ccc1F ZINC000210723638 590961052 /nfs/dbraw/zinc/96/10/52/590961052.db2.gz AZMVPUVTIZTTBB-LLVKDONJSA-N 0 0 207.248 2.475 10 0 BEAERN C=COCCOC(=O)Cn1ccc2ccccc21 ZINC000128353976 591004279 /nfs/dbraw/zinc/00/42/79/591004279.db2.gz FSKDUOVIMODABX-UHFFFAOYSA-N 0 0 245.278 2.345 10 0 BEAERN C=COCCOC(=O)c1cc(F)ccc1F ZINC000128373433 591012264 /nfs/dbraw/zinc/01/22/64/591012264.db2.gz JKHMBXCVVAMJIT-UHFFFAOYSA-N 0 0 228.194 2.282 10 0 BEAERN C=COCCOC(=O)C1=Cc2ccccc2OC1 ZINC000128391449 591018319 /nfs/dbraw/zinc/01/83/19/591018319.db2.gz ZCDQXYFPEPQMRZ-UHFFFAOYSA-N 0 0 246.262 2.166 10 0 BEAERN C=COCCOC(=O)Cc1ccccc1C ZINC000128402664 591031275 /nfs/dbraw/zinc/03/12/75/591031275.db2.gz WYCBOFXWZWPJJZ-UHFFFAOYSA-N 0 0 220.268 2.241 10 0 BEAERN CC(C)(C)Cc1noc(-c2ccc(N)cn2)n1 ZINC000128429905 591038469 /nfs/dbraw/zinc/03/84/69/591038469.db2.gz BYRNTZAFNUNGQF-UHFFFAOYSA-N 0 0 232.287 2.302 10 0 BEAERN CC/C=C/COC(=O)[C@@H]1CSCCS1 ZINC000128436253 591040460 /nfs/dbraw/zinc/04/04/60/591040460.db2.gz MNZAMJFRSHRVDR-NWALNABHSA-N 0 0 232.370 2.344 10 0 BEAERN CCc1cc(C)c(C(=O)O[C@@H]2CCOC2)o1 ZINC000129182933 591267029 /nfs/dbraw/zinc/26/70/29/591267029.db2.gz QSVKGDBSPDEJJL-SNVBAGLBSA-N 0 0 224.256 2.096 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1[C@@H]1CCCO1 ZINC000129352041 591283325 /nfs/dbraw/zinc/28/33/25/591283325.db2.gz XPHNGJNOQQLKSD-VIFPVBQESA-N 0 0 209.293 2.042 10 0 BEAERN CCc1cnccc1C(=O)OCc1cncs1 ZINC000129666221 591348463 /nfs/dbraw/zinc/34/84/63/591348463.db2.gz WRJUIAHMWDEOEA-UHFFFAOYSA-N 0 0 248.307 2.458 10 0 BEAERN O=C(n1ccnc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000129896532 591417566 /nfs/dbraw/zinc/41/75/66/591417566.db2.gz GIXJTWMNVFAHOV-LLVKDONJSA-N 0 0 230.271 2.016 10 0 BEAERN Cc1ccccc1C[C@H](C)NC(=O)n1ccnc1 ZINC000129903078 591418643 /nfs/dbraw/zinc/41/86/43/591418643.db2.gz WVSXYDHYBMBDAV-LBPRGKRZSA-N 0 0 243.310 2.380 10 0 BEAERN Cc1nn(-c2cc(C)cc(C)c2)cc1CO ZINC000213042031 591447540 /nfs/dbraw/zinc/44/75/40/591447540.db2.gz YRNRBCGCXLDNCO-UHFFFAOYSA-N 0 0 216.284 2.290 10 0 BEAERN CCCc1c(N)n[nH]c1-c1cccnc1 ZINC000026511668 591516500 /nfs/dbraw/zinc/51/65/00/591516500.db2.gz ZTVNCUVELSTRHQ-UHFFFAOYSA-N 0 0 202.261 2.006 10 0 BEAERN CCCc1c(N)n[nH]c1-c1ccccn1 ZINC000026511637 591516791 /nfs/dbraw/zinc/51/67/91/591516791.db2.gz SRJMITYVEFWHKA-UHFFFAOYSA-N 0 0 202.261 2.006 10 0 BEAERN CCC[C@@H](OC)c1noc([C@@H](N)CCC)n1 ZINC000131173498 591565630 /nfs/dbraw/zinc/56/56/30/591565630.db2.gz GJZOMBVNQOUUNW-DTWKUNHWSA-N 0 0 227.308 2.357 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(F)n2)C1 ZINC000131304177 591588815 /nfs/dbraw/zinc/58/88/15/591588815.db2.gz XOZNRZZGYXWVFK-ZJUUUORDSA-N 0 0 236.290 2.481 10 0 BEAERN O=C(NCCC1=CCCC1)c1ccnc(F)c1 ZINC000131367277 591604351 /nfs/dbraw/zinc/60/43/51/591604351.db2.gz GVJIKSCBYALZBK-UHFFFAOYSA-N 0 0 234.274 2.451 10 0 BEAERN C[C@@H]1CC[C@@H](OC(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000131447258 591609418 /nfs/dbraw/zinc/60/94/18/591609418.db2.gz JSJDKXDCRRQDBK-CKYFFXLPSA-N 0 0 236.315 2.402 10 0 BEAERN COC(=O)/C(C)=C\CSC1CCOCC1 ZINC000214583681 591636053 /nfs/dbraw/zinc/63/60/53/591636053.db2.gz VFUMKADYOWEUGK-UITAMQMPSA-N 0 0 230.329 2.018 10 0 BEAERN CC[C@@H](SC)C(=O)O[C@@H](COC)C1CC1 ZINC000131672465 591636958 /nfs/dbraw/zinc/63/69/58/591636958.db2.gz RNOWXTRQSNUYLX-VHSXEESVSA-N 0 0 232.345 2.096 10 0 BEAERN CO[C@H](C)CC(=O)NCCC1=CCCC1 ZINC000131675538 591637433 /nfs/dbraw/zinc/63/74/33/591637433.db2.gz CHKFTMFOWOFNAW-SNVBAGLBSA-N 0 0 211.305 2.028 10 0 BEAERN COC[C@H](OC(=O)C[C@H]1C=CCC1)C1CC1 ZINC000131885921 591675842 /nfs/dbraw/zinc/67/58/42/591675842.db2.gz SRFHYVVSUFUBDT-JQWIXIFHSA-N 0 0 224.300 2.311 10 0 BEAERN CC[C@H](C)C(=O)O[C@@H](COC)C1CC1 ZINC000132376224 591705187 /nfs/dbraw/zinc/70/51/87/591705187.db2.gz CCOUPJOYJLEYFN-WPRPVWTQSA-N 0 0 200.278 2.001 10 0 BEAERN COC[C@H](OC(=O)CCC(C)C)C1CC1 ZINC000132639455 591725981 /nfs/dbraw/zinc/72/59/81/591725981.db2.gz ZEEIUCKBGQOIIW-NSHDSACASA-N 0 0 214.305 2.391 10 0 BEAERN C[C@H](OC(=O)c1cccnc1)C1CCOCC1 ZINC000132724309 591734119 /nfs/dbraw/zinc/73/41/19/591734119.db2.gz LJDGWRJXMGEBAV-JTQLQIEISA-N 0 0 235.283 2.054 10 0 BEAERN Cc1c(CCC(=O)OC2(C)CCC2)cnn1C ZINC000132865520 591743611 /nfs/dbraw/zinc/74/36/11/591743611.db2.gz ZLWCJPXWVIOAPL-UHFFFAOYSA-N 0 0 236.315 2.147 10 0 BEAERN CSCCC(=O)NCCC1CCC1 ZINC000133744543 591853199 /nfs/dbraw/zinc/85/31/99/591853199.db2.gz CMGWULLFMSXXBO-UHFFFAOYSA-N 0 0 201.335 2.046 10 0 BEAERN CC(C)(C)c1ccccc1[C@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000215143094 591926504 /nfs/dbraw/zinc/92/65/04/591926504.db2.gz OWZWOCHGCLWKHN-VXGBXAGGSA-N 0 0 247.338 2.372 10 0 BEAERN COCc1cccc(C(=O)Nc2n[nH]cc2C)c1 ZINC000134673351 591945807 /nfs/dbraw/zinc/94/58/07/591945807.db2.gz YTAXYZPNAJTCJW-UHFFFAOYSA-N 0 0 245.282 2.117 10 0 BEAERN Cc1c[nH]nc1NC(=O)CCc1ccccc1 ZINC000134674771 591946459 /nfs/dbraw/zinc/94/64/59/591946459.db2.gz YVAMGPIRHGXCCQ-UHFFFAOYSA-N 0 0 229.283 2.289 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cccc(N(C)C)c1 ZINC000134680381 591946589 /nfs/dbraw/zinc/94/65/89/591946589.db2.gz JYWTXLIOSBGKBP-UHFFFAOYSA-N 0 0 244.298 2.036 10 0 BEAERN Cc1c[nH]nc1NC(=O)Cc1ccc(C)cc1 ZINC000134675893 591946841 /nfs/dbraw/zinc/94/68/41/591946841.db2.gz MDZZCSNEYWNGIP-UHFFFAOYSA-N 0 0 229.283 2.208 10 0 BEAERN CSCCCC(=O)Nc1ccc(F)nc1 ZINC000135003463 591972220 /nfs/dbraw/zinc/97/22/20/591972220.db2.gz IKOYIOWLZPLOOL-UHFFFAOYSA-N 0 0 228.292 2.302 10 0 BEAERN CC(=O)CCN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC000135185252 591994343 /nfs/dbraw/zinc/99/43/43/591994343.db2.gz LOABFISIUFVCHF-UHFFFAOYSA-N 0 0 244.294 2.219 10 0 BEAERN CC(=O)CCN(C)C(=O)c1cccc2cc[nH]c21 ZINC000135190152 591995144 /nfs/dbraw/zinc/99/51/44/591995144.db2.gz NGJWEOFDDOQVSS-UHFFFAOYSA-N 0 0 244.294 2.219 10 0 BEAERN Cc1cc(OC[C@@H](O)C2CC2)ccc1F ZINC000135369183 592009853 /nfs/dbraw/zinc/00/98/53/592009853.db2.gz SFWADTOLSXFTRG-GFCCVEGCSA-N 0 0 210.248 2.284 10 0 BEAERN O=C(Nc1ccc(Cl)nc1)C1(F)CC1 ZINC000220077440 592274497 /nfs/dbraw/zinc/27/44/97/592274497.db2.gz XGDUYTJJSPCJQU-UHFFFAOYSA-N 0 0 214.627 2.176 10 0 BEAERN CCc1ccc(-c2[nH]nc(N)c2F)cc1 ZINC000138448466 592275261 /nfs/dbraw/zinc/27/52/61/592275261.db2.gz ZYCRHTFKYIBZDS-UHFFFAOYSA-N 0 0 205.236 2.360 10 0 BEAERN O=C(C(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000220222019 592292261 /nfs/dbraw/zinc/29/22/61/592292261.db2.gz HUDVWIHYICJJFS-RXMQYKEDSA-N 0 0 231.164 2.052 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1N ZINC000300590016 592515727 /nfs/dbraw/zinc/51/57/27/592515727.db2.gz ULSJVCFUSXINNU-PELKAZGASA-N 0 0 236.290 2.326 10 0 BEAERN CS[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000300645351 592516882 /nfs/dbraw/zinc/51/68/82/592516882.db2.gz LRFKBANVQFGNFD-IYKVGLELSA-N 0 0 239.384 2.433 10 0 BEAERN Cc1nc(-c2noc([C@H](N)CC(C)C)n2)co1 ZINC000302524968 592549665 /nfs/dbraw/zinc/54/96/65/592549665.db2.gz FNAYRHIEAXSEBF-MRVPVSSYSA-N 0 0 236.275 2.079 10 0 BEAERN C[C@@H]1CN(CCC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000054026297 635326178 /nfs/dbraw/zinc/32/61/78/635326178.db2.gz OSYCIOOOAKMOFD-PHIMTYICSA-N 0 0 227.348 2.101 10 0 BEAERN COC1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000230629352 635490640 /nfs/dbraw/zinc/49/06/40/635490640.db2.gz JSQUJJSZRAUVBO-UHFFFAOYSA-N 0 0 244.294 2.075 10 0 BEAERN Cc1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)[O-])cc1C ZINC000251147757 635529461 /nfs/dbraw/zinc/52/94/61/635529461.db2.gz BAPLKOOJUQCAQN-CHWSQXEVSA-N 0 0 233.311 2.033 10 0 BEAERN Cc1cc(N)nn1CC[C@@H]1C[C@H]1C1CC1 ZINC000714771516 631300150 /nfs/dbraw/zinc/30/01/50/631300150.db2.gz QTJUKZLVPHEAHQ-MNOVXSKESA-N 0 0 205.305 2.210 10 0 BEAERN O=C(CCn1cccn1)OCC1CCCC1 ZINC000126822645 631366513 /nfs/dbraw/zinc/36/65/13/631366513.db2.gz CPKMMYKIJRZEMZ-UHFFFAOYSA-N 0 0 222.288 2.007 10 0 BEAERN C[C@H]1CC(NC(=O)n2ccnc2)C[C@H](C)C1 ZINC000082835341 631415461 /nfs/dbraw/zinc/41/54/61/631415461.db2.gz APZLJHRYPZHHCL-NXEZZACHSA-N 0 0 221.304 2.266 10 0 BEAERN Cc1cccc(-c2cc(N)n(C)n2)c1F ZINC000084933133 631455579 /nfs/dbraw/zinc/45/55/79/631455579.db2.gz NNCHNDUASBTHOL-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN CC[C@@H](NC(=O)c1ccc(Cl)nn1)C(C)C ZINC000042591852 631734028 /nfs/dbraw/zinc/73/40/28/631734028.db2.gz VBEWSBPCVNSMDX-MRVPVSSYSA-N 0 0 241.722 2.294 10 0 BEAERN CC(C)OC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000308931882 631745824 /nfs/dbraw/zinc/74/58/24/631745824.db2.gz MLJUJCZKYUALEB-PHIMTYICSA-N 0 0 209.289 2.429 10 0 BEAERN CC[C@@H](SC)C(=O)O[C@H](C)C1CCOCC1 ZINC000158272497 631846010 /nfs/dbraw/zinc/84/60/10/631846010.db2.gz POLDTHUQLGOOMC-MWLCHTKSSA-N 0 0 246.372 2.486 10 0 BEAERN Cc1cccc2c1N[C@H]([C@@H]1CCCOC1)[C@H](O)C2 ZINC000725268647 631863519 /nfs/dbraw/zinc/86/35/19/631863519.db2.gz XMHVJPSGUIMKNF-UMVBOHGHSA-N 0 0 247.338 2.119 10 0 BEAERN CCN[C@H](C)c1nc(CC2CCC2)no1 ZINC000308850365 631919641 /nfs/dbraw/zinc/91/96/41/631919641.db2.gz GUYMMNVIFWLIFY-MRVPVSSYSA-N 0 0 209.293 2.083 10 0 BEAERN Cc1cc(CN2CC[C@H](O)c3ccccc32)no1 ZINC000123517533 632077324 /nfs/dbraw/zinc/07/73/24/632077324.db2.gz KJSVMFFDDRXBTD-AWEZNQCLSA-N 0 0 244.294 2.427 10 0 BEAERN Cc1noc([C@@H](C)OC(=O)C[C@H]2C=CCC2)n1 ZINC000126416712 635818807 /nfs/dbraw/zinc/81/88/07/635818807.db2.gz MADSVNBWSSDAPL-SCZZXKLOSA-N 0 0 236.271 2.339 10 0 BEAERN OCC[C@H]1CCN(Cc2cnc(Cl)s2)C1 ZINC000162089597 632447452 /nfs/dbraw/zinc/44/74/52/632447452.db2.gz SSIQAVUQMCVASZ-MRVPVSSYSA-N 0 0 246.763 2.001 10 0 BEAERN CC[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000051287436 632491461 /nfs/dbraw/zinc/49/14/61/632491461.db2.gz YETWVSREEQLWTH-UHFFFAOYSA-N 0 0 201.310 2.075 10 0 BEAERN O=C(/C=C/c1ccccc1)N[C@@H]1CCC[C@H](O)C1 ZINC000075156729 632535485 /nfs/dbraw/zinc/53/54/85/632535485.db2.gz RUHIUAIOEDUVCW-HOQBHHMFSA-N 0 0 245.322 2.120 10 0 BEAERN C/C=C/COC(=O)C1CCC(C(=O)OC)CC1 ZINC000179702123 632754904 /nfs/dbraw/zinc/75/49/04/632754904.db2.gz SYOYBPZSOHZBEW-ONEGZZNKSA-N 0 0 240.299 2.085 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H](C)C1CCC1 ZINC000177287958 632801659 /nfs/dbraw/zinc/80/16/59/632801659.db2.gz NTEUOWZCDDFXML-IUCAKERBSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H](OC(=O)/C=C\c1cccnc1)[C@H]1CCOC1 ZINC000255868538 632826580 /nfs/dbraw/zinc/82/65/80/632826580.db2.gz GOAQISGSTXLABG-PYIQSQQJSA-N 0 0 247.294 2.063 10 0 BEAERN C[C@H](OC(=O)/C=C\c1cccnc1)[C@@H]1CCOC1 ZINC000255868539 632826680 /nfs/dbraw/zinc/82/66/80/632826680.db2.gz GOAQISGSTXLABG-YBLMTZRHSA-N 0 0 247.294 2.063 10 0 BEAERN Nc1ccc(-c2nc(CC3CCC3)no2)c(O)c1 ZINC000310679510 632863499 /nfs/dbraw/zinc/86/34/99/632863499.db2.gz LRTTXZASLFMXAJ-UHFFFAOYSA-N 0 0 245.282 2.367 10 0 BEAERN Cc1ccc(C(=O)OCc2cccnc2)c(C)n1 ZINC000126607874 635869321 /nfs/dbraw/zinc/86/93/21/635869321.db2.gz LWNIWNKCGVMCLC-UHFFFAOYSA-N 0 0 242.278 2.450 10 0 BEAERN COC(=O)[C@H](C)c1c[nH]c2ccccc21 ZINC000034068798 635870121 /nfs/dbraw/zinc/87/01/21/635870121.db2.gz DKPWECDPNJOYSW-MRVPVSSYSA-N 0 0 203.241 2.444 10 0 BEAERN O[C@@H](C[C@@H]1CCCC1(F)F)c1cn[nH]c1 ZINC000394296121 633160061 /nfs/dbraw/zinc/16/00/61/633160061.db2.gz PNAOAWTUUKGZFZ-IUCAKERBSA-N 0 0 216.231 2.269 10 0 BEAERN O=C(CCn1cccn1)OCC1CCCCC1 ZINC000126691447 635952486 /nfs/dbraw/zinc/95/24/86/635952486.db2.gz JSLYDQZSXDWOAP-UHFFFAOYSA-N 0 0 236.315 2.397 10 0 BEAERN NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2 ZINC000306966245 635979070 /nfs/dbraw/zinc/97/90/70/635979070.db2.gz FMXPGWNCORDLEA-YDRMRZIKSA-N 0 0 213.708 2.050 10 0 BEAERN CCC1CCC2(CC1)O[C@]2(Cl)C(=O)OC ZINC000232912082 636068363 /nfs/dbraw/zinc/06/83/63/636068363.db2.gz QLNOZVVYSSTZDS-BOBPJJCASA-N 0 0 232.707 2.464 10 0 BEAERN CC(C)CCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192106902 636089899 /nfs/dbraw/zinc/08/98/99/636089899.db2.gz ZIROCXKGRQVBMZ-QWRGUYRKSA-N 0 0 214.305 2.391 10 0 BEAERN COCCOC(=O)C1(c2ccc(F)cc2)CC1 ZINC000120995937 636090246 /nfs/dbraw/zinc/09/02/46/636090246.db2.gz AGGDHYQLSTVHHS-UHFFFAOYSA-N 0 0 238.258 2.047 10 0 BEAERN Cc1ccc(O)cc1C(=O)N[C@@H](C)C(C)C ZINC000309449579 633918617 /nfs/dbraw/zinc/91/86/17/633918617.db2.gz NYZGBNRXWQCAJQ-JTQLQIEISA-N 0 0 221.300 2.475 10 0 BEAERN CCOC[C@@H](C)OC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000190707733 634191765 /nfs/dbraw/zinc/19/17/65/634191765.db2.gz FEYHNIGJGRNAAO-FBIMIBRVSA-N 0 0 212.289 2.001 10 0 BEAERN CCOC[C@H](C)OC(=O)C[C@H]1C=CCC1 ZINC000190761858 634193311 /nfs/dbraw/zinc/19/33/11/634193311.db2.gz BWARSDXHHLRCHQ-QWRGUYRKSA-N 0 0 212.289 2.311 10 0 BEAERN CCOC[C@H](C)OC(=O)c1cc(OC)cs1 ZINC000190764608 634193412 /nfs/dbraw/zinc/19/34/12/634193412.db2.gz GGUGPJYJLICYSZ-QMMMGPOBSA-N 0 0 244.312 2.339 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H](C)OCCC(C)C ZINC000190766044 634194052 /nfs/dbraw/zinc/19/40/52/634194052.db2.gz PKGDVVVBGWMHMJ-NWDGAFQWSA-N 0 0 246.347 2.406 10 0 BEAERN CCOC[C@H](C)OC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000190757616 634194287 /nfs/dbraw/zinc/19/42/87/634194287.db2.gz URMMPTZXSILJGJ-SDDRHHMPSA-N 0 0 244.331 2.302 10 0 BEAERN CCCCNC(=O)CSC(C)(C)C ZINC000123293605 634232318 /nfs/dbraw/zinc/23/23/18/634232318.db2.gz QCWQVBNPBSVTCK-UHFFFAOYSA-N 0 0 203.351 2.434 10 0 BEAERN O[C@@H]1CCN(CC2CCOCC2)c2ccccc21 ZINC000123478161 634241213 /nfs/dbraw/zinc/24/12/13/634241213.db2.gz OVEVFYOYOGKJCO-OAHLLOKOSA-N 0 0 247.338 2.357 10 0 BEAERN COC(=O)c1cccc(N[C@@H](C)C(C)C)n1 ZINC000092826756 634290017 /nfs/dbraw/zinc/29/00/17/634290017.db2.gz YPLZVJJEIQDQKB-VIFPVBQESA-N 0 0 222.288 2.325 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)O[C@H](C#N)C(C)(C)C)O1 ZINC000248740447 635117086 /nfs/dbraw/zinc/11/70/86/635117086.db2.gz FAELYEGDUJKNGE-KXUCPTDWSA-N 0 0 225.288 2.035 10 0 BEAERN CC[C@H]1CN(CCC(=O)C(C)(C)C)CCO1 ZINC000054026449 635327893 /nfs/dbraw/zinc/32/78/93/635327893.db2.gz FEAQUDJIJCJRJL-NSHDSACASA-N 0 0 227.348 2.103 10 0 BEAERN CC(C)(C)C(=O)CCN1CCOC(C)(C)C1 ZINC000054026479 635328289 /nfs/dbraw/zinc/32/82/89/635328289.db2.gz GCHGHTNNEXTEMX-UHFFFAOYSA-N 0 0 227.348 2.103 10 0 BEAERN CONC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000127227587 636312607 /nfs/dbraw/zinc/31/26/07/636312607.db2.gz WMUULOCJSPPTHS-UHFFFAOYSA-N 0 0 236.658 2.179 10 0 BEAERN COC(=O)C1(C[C@@H]2CO2)CCC(F)(F)CC1 ZINC000669372376 636548989 /nfs/dbraw/zinc/54/89/89/636548989.db2.gz OPSPXJYBTWRICN-MRVPVSSYSA-N 0 0 234.242 2.144 10 0 BEAERN CC(C)(O)CCN1CC[C@@H](O)c2ccccc21 ZINC000123594381 636700375 /nfs/dbraw/zinc/70/03/75/636700375.db2.gz QVQWKCSRJZPZSM-CYBMUJFWSA-N 0 0 235.327 2.091 10 0 BEAERN COc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)ccc1N ZINC000250286204 636752404 /nfs/dbraw/zinc/75/24/04/636752404.db2.gz UGPQKFJRCTTXLZ-ILWJIGKKSA-N 0 0 246.310 2.262 10 0 BEAERN CCc1ccc(CCC(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000346397314 637105480 /nfs/dbraw/zinc/10/54/80/637105480.db2.gz XRGUWINJSYINDX-RYUDHWBXSA-N 0 0 249.354 2.067 10 0 BEAERN CC(C)CC1(C(=O)N[C@H](C)[C@H](C)O)CCCC1 ZINC000346410525 637110057 /nfs/dbraw/zinc/11/00/57/637110057.db2.gz PMGVHEQKOCXPIE-NEPJUHHUSA-N 0 0 241.375 2.478 10 0 BEAERN CC(C)CC1(C(=O)N[C@@H](C)[C@H](C)O)CCCC1 ZINC000346410529 637110545 /nfs/dbraw/zinc/11/05/45/637110545.db2.gz PMGVHEQKOCXPIE-RYUDHWBXSA-N 0 0 241.375 2.478 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000346421973 637116350 /nfs/dbraw/zinc/11/63/50/637116350.db2.gz VKCNHBPPSXNTHR-QWRGUYRKSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H](NC(=O)CCC1CCCCC1)[C@H](C)O ZINC000346421972 637117997 /nfs/dbraw/zinc/11/79/97/637117997.db2.gz VKCNHBPPSXNTHR-MNOVXSKESA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)CC1CCCCCC1 ZINC000346422936 637120656 /nfs/dbraw/zinc/12/06/56/637120656.db2.gz PQHKCWLGYFNBJZ-GHMZBOCLSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@H](CC1CC1)[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128697452 637254401 /nfs/dbraw/zinc/25/44/01/637254401.db2.gz XJJLEQIOTJUGQE-MRVPVSSYSA-N 0 0 223.272 2.256 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)Nc1ccccc1Cl ZINC000348149923 638486132 /nfs/dbraw/zinc/48/61/32/638486132.db2.gz BNCVATYMLKMMDG-YUMQZZPRSA-N 0 0 242.706 2.231 10 0 BEAERN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](C)O ZINC000348138639 638493157 /nfs/dbraw/zinc/49/31/57/638493157.db2.gz IYQKYYLIOWVSEF-SFYZADRCSA-N 0 0 242.706 2.231 10 0 BEAERN CC(C)C[C@H](N=C=O)C(=O)OC(C)(C)C ZINC000149554446 638615321 /nfs/dbraw/zinc/61/53/21/638615321.db2.gz ZZJDVMQAALAVJJ-VIFPVBQESA-N 0 0 213.277 2.079 10 0 BEAERN O=C(Cc1cccc(F)c1)OC1CCC1 ZINC000175199264 639720355 /nfs/dbraw/zinc/72/03/55/639720355.db2.gz ZSPHVHMSBIMTQX-UHFFFAOYSA-N 0 0 208.232 2.464 10 0 BEAERN C[C@H](O)c1cccc(OCc2ccno2)c1 ZINC000035627713 639764628 /nfs/dbraw/zinc/76/46/28/639764628.db2.gz QUCLVSPQRUZTFD-VIFPVBQESA-N 0 0 219.240 2.307 10 0 BEAERN C[C@@H](OC(=O)C1CC=CC1)C1CCOCC1 ZINC000151461808 640384547 /nfs/dbraw/zinc/38/45/47/640384547.db2.gz WCDLHOSDYNXACE-SNVBAGLBSA-N 0 0 224.300 2.311 10 0 BEAERN COc1ccc([C@@H]2CSCC(=O)O2)cc1 ZINC000222383088 640484840 /nfs/dbraw/zinc/48/48/40/640484840.db2.gz OUOXJDFVWYNDLC-JTQLQIEISA-N 0 0 224.281 2.026 10 0 BEAERN CSCCOc1cccc([C@H](C)O)c1 ZINC000164944798 640521409 /nfs/dbraw/zinc/52/14/09/640521409.db2.gz RNDZKHZRWQZMHR-VIFPVBQESA-N 0 0 212.314 2.482 10 0 BEAERN CS(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000224136688 640598824 /nfs/dbraw/zinc/59/88/24/640598824.db2.gz WHGWJUNTYREPPX-WAYWQWQTSA-N 0 0 216.689 2.355 10 0 BEAERN O=C(n1ccnc1)N1CCc2ccc(F)cc21 ZINC000224282722 640606637 /nfs/dbraw/zinc/60/66/37/640606637.db2.gz TUHOBIXYZLEXFC-UHFFFAOYSA-N 0 0 231.230 2.053 10 0 BEAERN C=CCNC(=S)N(C)Cc1ccc(C)o1 ZINC000057435257 640610196 /nfs/dbraw/zinc/61/01/96/640610196.db2.gz TZKICBOTKMLZJZ-UHFFFAOYSA-N 0 0 224.329 2.080 10 0 BEAERN c1ccc2c(c1)NCCN2C[C@H]1CCCO1 ZINC000057846588 640646982 /nfs/dbraw/zinc/64/69/82/640646982.db2.gz AHHTYSVMJXZMOS-LLVKDONJSA-N 0 0 218.300 2.098 10 0 BEAERN CO[C@H](C)Cn1ccc2cccc(N)c21 ZINC000166795649 640678244 /nfs/dbraw/zinc/67/82/44/640678244.db2.gz YDLDJPZGAXMSFR-SECBINFHSA-N 0 0 204.273 2.258 10 0 BEAERN CCNCc1noc([C@H]2CCC[C@@H]2C)n1 ZINC000225427519 640691620 /nfs/dbraw/zinc/69/16/20/640691620.db2.gz ZPLOWDJDHGGJDM-IUCAKERBSA-N 0 0 209.293 2.083 10 0 BEAERN Cc1nc(-c2ccc(N)cc2Cl)n(C)n1 ZINC000054499519 640705884 /nfs/dbraw/zinc/70/58/84/640705884.db2.gz SZBVEOXUVIPKLX-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN CCCc1noc([C@@H]2C[C@H](C)CCN2)n1 ZINC000167529414 640725756 /nfs/dbraw/zinc/72/57/56/640725756.db2.gz WZGNZMYIPPDURS-BDAKNGLRSA-N 0 0 209.293 2.083 10 0 BEAERN CC[C@H](NC(=O)C(F)(F)C(F)F)C(C)C ZINC000226616050 640780440 /nfs/dbraw/zinc/78/04/40/640780440.db2.gz ADRNBQOMCINJPS-LURJTMIESA-N 0 0 229.217 2.438 10 0 BEAERN CO[C@@H](c1noc(-c2cccc(N)c2)n1)C1CC1 ZINC000227330052 640827982 /nfs/dbraw/zinc/82/79/82/640827982.db2.gz NVMLDQUNMQCIAF-LLVKDONJSA-N 0 0 245.282 2.416 10 0 BEAERN CC1(CNc2ccc(Cl)nc2)COC1 ZINC000227531838 640837489 /nfs/dbraw/zinc/83/74/89/640837489.db2.gz JVCKRRCARRPDSQ-UHFFFAOYSA-N 0 0 212.680 2.183 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1cnc(Cl)cn1 ZINC000227833754 640850948 /nfs/dbraw/zinc/85/09/48/640850948.db2.gz BPGJMMAGTHPWJH-HTQZYQBOSA-N 0 0 239.706 2.048 10 0 BEAERN CC(=O)c1ccnc(-n2cc(Cl)cn2)c1 ZINC000087400540 640884228 /nfs/dbraw/zinc/88/42/28/640884228.db2.gz LRYCMTRTAWDWOE-UHFFFAOYSA-N 0 0 221.647 2.123 10 0 BEAERN COC(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000171054262 640952059 /nfs/dbraw/zinc/95/20/59/640952059.db2.gz ULHAKIRMQBHLPE-KWQFWETISA-N 0 0 248.282 2.003 10 0 BEAERN CN[C@H](C)c1nc([C@@H]2CCCCS2)no1 ZINC000087700272 640979424 /nfs/dbraw/zinc/97/94/24/640979424.db2.gz HEQNWESWWBRWNE-SFYZADRCSA-N 0 0 227.333 2.308 10 0 BEAERN COC[C@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000171992891 641027632 /nfs/dbraw/zinc/02/76/32/641027632.db2.gz FUHQEDRCHRJQEQ-LZGFCCKTSA-N 0 0 233.311 2.099 10 0 BEAERN CC(C)Cc1nnc(NCC2(C)COC2)s1 ZINC000230289596 641047824 /nfs/dbraw/zinc/04/78/24/641047824.db2.gz WHBCNABWDYIQRP-UHFFFAOYSA-N 0 0 241.360 2.185 10 0 BEAERN COC1CC(Nc2nc3ccccc3[nH]2)C1 ZINC000230597703 641071216 /nfs/dbraw/zinc/07/12/16/641071216.db2.gz UWJMUIHHPYBQIJ-UHFFFAOYSA-N 0 0 217.272 2.152 10 0 BEAERN Cc1cnc([C@@H](C)NC/C=C/Cl)o1 ZINC000230647390 641076370 /nfs/dbraw/zinc/07/63/70/641076370.db2.gz SLXIUSQXRBAUQW-MPJRPATESA-N 0 0 200.669 2.386 10 0 BEAERN CCc1ccc([C@@H](O)c2cn[nH]c2)cc1 ZINC000062778545 641089705 /nfs/dbraw/zinc/08/97/05/641089705.db2.gz YLOXZYOFPCLYOZ-GFCCVEGCSA-N 0 0 202.257 2.054 10 0 BEAERN Cc1ccc([C@H](O)c2cn[nH]c2)c(C)c1 ZINC000062778446 641089726 /nfs/dbraw/zinc/08/97/26/641089726.db2.gz GQDCAKPYQBISAG-GFCCVEGCSA-N 0 0 202.257 2.108 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=S)NCC(C)C ZINC000231647938 641193040 /nfs/dbraw/zinc/19/30/40/641193040.db2.gz BQTBZJJMMZFJAU-VHSXEESVSA-N 0 0 214.378 2.295 10 0 BEAERN Cc1cnc([C@@H](C)Nc2cc(F)ncn2)o1 ZINC000231755338 641198795 /nfs/dbraw/zinc/19/87/95/641198795.db2.gz FBONGRLWZRMHGP-SSDOTTSWSA-N 0 0 222.223 2.085 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)OC(C)C)o1 ZINC000231741291 641201200 /nfs/dbraw/zinc/20/12/00/641201200.db2.gz BHPDRPPIOOUCHV-MRVPVSSYSA-N 0 0 212.249 2.179 10 0 BEAERN CCCCCOC(=O)CCn1cccn1 ZINC000130075768 641338107 /nfs/dbraw/zinc/33/81/07/641338107.db2.gz VNQJUBWDJVCMDH-UHFFFAOYSA-N 0 0 210.277 2.007 10 0 BEAERN C[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)C1CCOCC1 ZINC000151540024 641368531 /nfs/dbraw/zinc/36/85/31/641368531.db2.gz UOQILMHYYVTZAM-BIMULSAOSA-N 0 0 238.327 2.391 10 0 BEAERN CCCCOCC(=O)O[C@H](C)C1CCOCC1 ZINC000151578429 641422736 /nfs/dbraw/zinc/42/27/36/641422736.db2.gz ILAQYISCGJIIOE-LLVKDONJSA-N 0 0 244.331 2.161 10 0 BEAERN CC(C)c1nccn1Cc1ccc(N)nc1 ZINC000050829212 711502888 /nfs/dbraw/zinc/50/28/88/711502888.db2.gz DZBOEUBCWWRPED-UHFFFAOYSA-N 0 0 216.288 2.032 10 0 BEAERN CCC1CCC(NC(=O)n2ccnc2)CC1 ZINC000042581656 641554166 /nfs/dbraw/zinc/55/41/66/641554166.db2.gz DMOUUUSXGZEEPO-UHFFFAOYSA-N 0 0 221.304 2.410 10 0 BEAERN CC[C@@H](C)OCC(=O)O[C@@H](C)C1CCOCC1 ZINC000155248928 641561994 /nfs/dbraw/zinc/56/19/94/641561994.db2.gz GAMGUYWZDCUQGC-MNOVXSKESA-N 0 0 244.331 2.160 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCCCC(F)(F)F)O1 ZINC000157630107 641620427 /nfs/dbraw/zinc/62/04/27/641620427.db2.gz KUUYPJFNTLJGLT-JGVFFNPUSA-N 0 0 240.221 2.440 10 0 BEAERN COc1ccccc1OCC[C@@H](O)C(C)C ZINC000032014818 641710880 /nfs/dbraw/zinc/71/08/80/641710880.db2.gz AJRBEYKBQCGEGY-LLVKDONJSA-N 0 0 224.300 2.481 10 0 BEAERN CCOC[C@@H](C)OC(=O)Cc1cccc(F)c1 ZINC000190696665 641881052 /nfs/dbraw/zinc/88/10/52/641881052.db2.gz BKENOWVGAWCSOQ-SNVBAGLBSA-N 0 0 240.274 2.336 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000190769756 641885473 /nfs/dbraw/zinc/88/54/73/641885473.db2.gz NRVWPWNKLRCFNW-TUAOUCFPSA-N 0 0 244.331 2.160 10 0 BEAERN CCCCCCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191688443 641938303 /nfs/dbraw/zinc/93/83/03/641938303.db2.gz USVDIIIDENUFBG-VXGBXAGGSA-N 0 0 227.348 2.498 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCCOC(C)(C)C ZINC000192108239 641963747 /nfs/dbraw/zinc/96/37/47/641963747.db2.gz DVSORZKSUJBABN-QWRGUYRKSA-N 0 0 244.331 2.160 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@@H]2CCCCN2)n1 ZINC000232884472 642073390 /nfs/dbraw/zinc/07/33/90/642073390.db2.gz XDVIHNUBLITVMQ-BDAKNGLRSA-N 0 0 221.304 2.398 10 0 BEAERN CC(C)[C@@H](C)NC(=O)C[C@H]1CSCCS1 ZINC000154446762 642090733 /nfs/dbraw/zinc/09/07/33/642090733.db2.gz UUBLJEHBOXMKPW-ZJUUUORDSA-N 0 0 247.429 2.386 10 0 BEAERN C/C(=C/C(=O)O[C@H](C)[C@@H]1CCOC1)C1CC1 ZINC000255276442 642332751 /nfs/dbraw/zinc/33/27/51/642332751.db2.gz RJLXJPWLSMCNFJ-POGDZBNZSA-N 0 0 224.300 2.311 10 0 BEAERN CC(=O)c1ccc(-c2ccnn2C)cc1 ZINC000069020250 642383488 /nfs/dbraw/zinc/38/34/88/642383488.db2.gz IVNRFYLXGVJMDE-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN Cn1ccnc1[C@H](N)c1ccc(Cl)cc1F ZINC000041042392 642508892 /nfs/dbraw/zinc/50/88/92/642508892.db2.gz SFGYPKIOLZOIQC-SNVBAGLBSA-N 0 0 239.681 2.261 10 0 BEAERN COC[C@H](C)n1ccc2ccc(N)cc21 ZINC000379420428 642514222 /nfs/dbraw/zinc/51/42/22/642514222.db2.gz NJLGNCNNHDCGNG-VIFPVBQESA-N 0 0 204.273 2.431 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000253278119 642631978 /nfs/dbraw/zinc/63/19/78/642631978.db2.gz JNFYJJRIWSIWQL-RMPHRYRLSA-N 0 0 207.317 2.337 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000253278123 642632787 /nfs/dbraw/zinc/63/27/87/642632787.db2.gz JNFYJJRIWSIWQL-ZIQFBCGOSA-N 0 0 207.317 2.337 10 0 BEAERN C[C@@H](C(=O)O[C@@H](C)[C@@H]1CCOC1)C1CC1 ZINC000175229711 642661635 /nfs/dbraw/zinc/66/16/35/642661635.db2.gz CKWXHJOXTABAEE-WCABBAIRSA-N 0 0 212.289 2.001 10 0 BEAERN CC(C)CC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175235027 642665732 /nfs/dbraw/zinc/66/57/32/642665732.db2.gz WOEQDXFZJATIIF-ZJUUUORDSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@@H](OC(=O)C(C)(C)C)[C@@H]1CCOC1 ZINC000175267308 642667510 /nfs/dbraw/zinc/66/75/10/642667510.db2.gz FKFCTTKBEDTRAD-RKDXNWHRSA-N 0 0 200.278 2.001 10 0 BEAERN CCCc1c(N)n[nH]c1-c1csc(C)n1 ZINC000233397685 642667643 /nfs/dbraw/zinc/66/76/43/642667643.db2.gz XENSQHUWQPEFFG-UHFFFAOYSA-N 0 0 222.317 2.376 10 0 BEAERN C[C@@H](OC(=O)C1CCCC1)[C@@H]1CCOC1 ZINC000175267412 642667816 /nfs/dbraw/zinc/66/78/16/642667816.db2.gz HUKJIAIYROXJIX-MWLCHTKSSA-N 0 0 212.289 2.145 10 0 BEAERN CCCc1c(N)n(C)nc1-c1cncs1 ZINC000233401697 642668399 /nfs/dbraw/zinc/66/83/99/642668399.db2.gz APQZESCLJPVHLZ-UHFFFAOYSA-N 0 0 222.317 2.078 10 0 BEAERN Cc1ccoc1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175288658 642669950 /nfs/dbraw/zinc/66/99/50/642669950.db2.gz UOCBXAUKRSSEHC-NXEZZACHSA-N 0 0 224.256 2.170 10 0 BEAERN CC(=O)Nc1cnc(-c2ccc(C)cc2)nc1 ZINC000064542914 642675229 /nfs/dbraw/zinc/67/52/29/642675229.db2.gz PRFOJJHQFKESRM-UHFFFAOYSA-N 0 0 227.267 2.410 10 0 BEAERN CCN[C@@H](C)c1nc([C@H]2CC2(C)C)no1 ZINC000233553490 642681009 /nfs/dbraw/zinc/68/10/09/642681009.db2.gz BZOHIEKMUFILBX-JGVFFNPUSA-N 0 0 209.293 2.254 10 0 BEAERN CC(C)(C)Cc1noc(-c2ccc(N)nc2)n1 ZINC000068847690 642804031 /nfs/dbraw/zinc/80/40/31/642804031.db2.gz VBXLELPVWLTUPJ-UHFFFAOYSA-N 0 0 232.287 2.302 10 0 BEAERN N[C@@H](CF)c1c(F)c(F)c(F)c(F)c1F ZINC000238571698 642821035 /nfs/dbraw/zinc/82/10/35/642821035.db2.gz RODUFRFBGBFRKD-REOHCLBHSA-N 0 0 229.123 2.351 10 0 BEAERN Cc1ccc(CNC(=O)N[C@H]2C[C@H]2C)cc1F ZINC000075958886 642878546 /nfs/dbraw/zinc/87/85/46/642878546.db2.gz TULSPBVADROEHY-SKDRFNHKSA-N 0 0 236.290 2.342 10 0 BEAERN C[C@H]1CN(C(=O)C=C2CCCC2)C[C@H](C)O1 ZINC000243476157 643027579 /nfs/dbraw/zinc/02/75/79/643027579.db2.gz NLXNLXYOPHMCDG-QWRGUYRKSA-N 0 0 223.316 2.123 10 0 BEAERN C[C@H](N[C@@H]1COc2ccccc21)c1cnccn1 ZINC000070528362 643034202 /nfs/dbraw/zinc/03/42/02/643034202.db2.gz KAMWKGLMKYESQT-GXFFZTMASA-N 0 0 241.294 2.261 10 0 BEAERN COCCN(CCOC)c1ccc(C)cc1 ZINC000119346146 643058435 /nfs/dbraw/zinc/05/84/35/643058435.db2.gz XCFILKGGQOKZGK-UHFFFAOYSA-N 0 0 223.316 2.094 10 0 BEAERN CC[C@@H](NC(=O)n1ccnc1)c1nccs1 ZINC000070734508 643068076 /nfs/dbraw/zinc/06/80/76/643068076.db2.gz SQZKMRAABQFEDM-MRVPVSSYSA-N 0 0 236.300 2.049 10 0 BEAERN CSCC[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252940820 643147709 /nfs/dbraw/zinc/14/77/09/643147709.db2.gz IVGVNLDVQUZGCM-CHWFTXMASA-N 0 0 227.373 2.290 10 0 BEAERN CCc1cnccc1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000183653746 643153594 /nfs/dbraw/zinc/15/35/94/643153594.db2.gz ZWMRGSVDMOGTLY-PWSUYJOCSA-N 0 0 249.310 2.226 10 0 BEAERN C[C@H](O)c1cccc(OC[C@H]2CCOC2)c1 ZINC000049689130 643184160 /nfs/dbraw/zinc/18/41/60/643184160.db2.gz UIJWJSUWOWFAKN-QWRGUYRKSA-N 0 0 222.284 2.155 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCC[C@@H]2CCCO2)O1 ZINC000184415223 643210521 /nfs/dbraw/zinc/21/05/21/643210521.db2.gz NDLDHJRICDMKHP-WOPDTQHZSA-N 0 0 242.315 2.056 10 0 BEAERN Cc1scc(CNC(=O)n2ccnc2)c1C ZINC000306740836 643223994 /nfs/dbraw/zinc/22/39/94/643223994.db2.gz UFOKEFUAURHAMF-UHFFFAOYSA-N 0 0 235.312 2.319 10 0 BEAERN C[C@H]1C[C@H]1Nc1c2ccccc2nnc1C(=O)[O-] ZINC000081667668 643247023 /nfs/dbraw/zinc/24/70/23/643247023.db2.gz FVMFWXYSLXZTCL-OIBJUYFYSA-N 0 0 243.266 2.148 10 0 BEAERN CC[C@H](C)[C@@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757132921 643258565 /nfs/dbraw/zinc/25/85/65/643258565.db2.gz VHPHXEKCUIARHN-POYBYMJQSA-N 0 0 243.328 2.318 10 0 BEAERN C[C@H]1CCN[C@H](c2nc(CC3CCC3)no2)C1 ZINC000306079878 643287567 /nfs/dbraw/zinc/28/75/67/643287567.db2.gz CDRDAVHIFPIYDK-ONGXEEELSA-N 0 0 235.331 2.473 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1csc(Cl)n1 ZINC000306955964 643299400 /nfs/dbraw/zinc/29/94/00/643299400.db2.gz QVLMQZAGFXFUBZ-CBAPKCEASA-N 0 0 246.763 2.142 10 0 BEAERN CC(C)[C@H](C)NC(=O)OCC(F)(F)F ZINC000082375587 643307399 /nfs/dbraw/zinc/30/73/99/643307399.db2.gz ZFVPSQOQPVSGCN-LURJTMIESA-N 0 0 213.199 2.319 10 0 BEAERN CC1(COC(=O)[C@@H]2C[C@H]2C2CC2)CCOCC1 ZINC000185555347 643331761 /nfs/dbraw/zinc/33/17/61/643331761.db2.gz AZBNMXAMFOIMGD-NWDGAFQWSA-N 0 0 238.327 2.392 10 0 BEAERN CC[C@@H](C)c1noc(-c2ccc(N)nc2)n1 ZINC000082561098 643342975 /nfs/dbraw/zinc/34/29/75/643342975.db2.gz TVNXJILEXKKEML-SSDOTTSWSA-N 0 0 218.260 2.227 10 0 BEAERN c1coc([C@@H]2CCO[C@]3(CCSC3)N2)c1 ZINC000757151733 643343893 /nfs/dbraw/zinc/34/38/93/643343893.db2.gz RHGAARVGDQFPST-ONGXEEELSA-N 0 0 225.313 2.164 10 0 BEAERN CCc1ccc(CSC[C@H](O)COC)o1 ZINC000757169663 643353918 /nfs/dbraw/zinc/35/39/18/643353918.db2.gz LAZDFLOJRVJBCI-SECBINFHSA-N 0 0 230.329 2.083 10 0 BEAERN COC(=O)[C@]1(F)C[C@@H](C(C)(C)C)CCC1=O ZINC000757183598 643358886 /nfs/dbraw/zinc/35/88/86/643358886.db2.gz PYHLEWJAJZGRTL-UFBFGSQYSA-N 0 0 230.279 2.283 10 0 BEAERN CN1CCc2cc(NCC(C)(C)CO)ccc21 ZINC000082711406 643370664 /nfs/dbraw/zinc/37/06/64/643370664.db2.gz GEEQMQQXFSBKBJ-UHFFFAOYSA-N 0 0 234.343 2.109 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)n2ccnc2)C[C@@H]1C ZINC000082847004 643385743 /nfs/dbraw/zinc/38/57/43/643385743.db2.gz RBAWQIGIHMBOHC-OUAUKWLOSA-N 0 0 221.304 2.266 10 0 BEAERN C[C@H]1C[C@H](C)n2nc(C(F)(F)F)nc2N1 ZINC000235722487 643472487 /nfs/dbraw/zinc/47/24/87/643472487.db2.gz POILLCBYTMRUDV-WHFBIAKZSA-N 0 0 220.198 2.062 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C)c(O)c1 ZINC000234105745 643484134 /nfs/dbraw/zinc/48/41/34/643484134.db2.gz MGNNRUKTNYNIGZ-WCQYABFASA-N 0 0 249.310 2.454 10 0 BEAERN CCCCO[C@H](C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000247250587 643492551 /nfs/dbraw/zinc/49/25/51/643492551.db2.gz ULBJQJRVCZCDJM-UTUOFQBUSA-N 0 0 244.331 2.160 10 0 BEAERN Cc1cnn2c1NCC[C@H]2C(F)(F)F ZINC000235807661 643496792 /nfs/dbraw/zinc/49/67/92/643496792.db2.gz DRYXTOHGBYFUBO-LURJTMIESA-N 0 0 205.183 2.111 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(O)c(C)c1 ZINC000234156631 643543371 /nfs/dbraw/zinc/54/33/71/643543371.db2.gz SRDRGGZUKDUBRV-DGCLKSJQSA-N 0 0 249.310 2.454 10 0 BEAERN CCCC(CCC)C(=O)N[C@@H](C)[C@H](C)O ZINC000346381766 643557093 /nfs/dbraw/zinc/55/70/93/643557093.db2.gz ONQRBZSQCWDCLX-UWVGGRQHSA-N 0 0 215.337 2.088 10 0 BEAERN CCc1nn([C@H]2CCSC2)c(CC)c1N ZINC000405269328 643592981 /nfs/dbraw/zinc/59/29/81/643592981.db2.gz NRJYQBITQRROMT-QMMMGPOBSA-N 0 0 225.361 2.268 10 0 BEAERN CCN(C(=O)c1cn[nH]c1)c1ccc(C)cc1 ZINC000049832729 643626041 /nfs/dbraw/zinc/62/60/41/643626041.db2.gz AWHTUKRQGOCLSP-UHFFFAOYSA-N 0 0 229.283 2.385 10 0 BEAERN Nc1nc(Cl)nc(-c2ccc(Cl)o2)n1 ZINC000236369095 643656515 /nfs/dbraw/zinc/65/65/15/643656515.db2.gz USSMXNDQXJLTCZ-UHFFFAOYSA-N 0 0 231.042 2.021 10 0 BEAERN CCCc1nccn1-c1ccc(C=O)cn1 ZINC000087718053 643668967 /nfs/dbraw/zinc/66/89/67/643668967.db2.gz VWTBPBRZHTXWDU-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN O=Cc1ccc(-c2cccc3nccn32)o1 ZINC000236425752 643670982 /nfs/dbraw/zinc/67/09/82/643670982.db2.gz APEIEQYJOUMUNB-UHFFFAOYSA-N 0 0 212.208 2.407 10 0 BEAERN O=C(/C=C/c1ccccc1)N[C@@H]1CCC[C@@H](O)C1 ZINC000075156731 643689292 /nfs/dbraw/zinc/68/92/92/643689292.db2.gz RUHIUAIOEDUVCW-NPUYYSGSSA-N 0 0 245.322 2.120 10 0 BEAERN CCCc1c(N)n(C)nc1-c1ccoc1 ZINC000086314591 643986119 /nfs/dbraw/zinc/98/61/19/643986119.db2.gz ADQXUUDFWNZPQC-UHFFFAOYSA-N 0 0 205.261 2.215 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCc1ccoc1 ZINC000192204495 644136076 /nfs/dbraw/zinc/13/60/76/644136076.db2.gz UXEKWCINLCJCTO-MWLCHTKSSA-N 0 0 224.256 2.138 10 0 BEAERN CCCCOCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192203212 644136746 /nfs/dbraw/zinc/13/67/46/644136746.db2.gz RSTUPVYDDQHNFH-RYUDHWBXSA-N 0 0 244.331 2.161 10 0 BEAERN C#CC[C@H](OC(=O)[C@H]1CCCO[C@H]1C)C(C)C ZINC000192242037 644139577 /nfs/dbraw/zinc/13/95/77/644139577.db2.gz NYERERRZAHSBOR-AVGNSLFASA-N 0 0 238.327 2.393 10 0 BEAERN Cc1occc1COC(=O)[C@H]1CCCO[C@H]1C ZINC000192232741 644139674 /nfs/dbraw/zinc/13/96/74/644139674.db2.gz UXIMNOHXSZKKSC-JQWIXIFHSA-N 0 0 238.283 2.446 10 0 BEAERN C#CC[C@H](OC(=O)[C@@H]1CCCO[C@H]1C)C(C)C ZINC000192242028 644140202 /nfs/dbraw/zinc/14/02/02/644140202.db2.gz NYERERRZAHSBOR-XQQFMLRXSA-N 0 0 238.327 2.393 10 0 BEAERN CCOCCCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192238181 644140285 /nfs/dbraw/zinc/14/02/85/644140285.db2.gz BXFUJSAAXJSWLU-NWDGAFQWSA-N 0 0 244.331 2.161 10 0 BEAERN C=C(C)CCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192239770 644140289 /nfs/dbraw/zinc/14/02/89/644140289.db2.gz GFMLMDPKKRMIKD-MNOVXSKESA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCC(C)(C)CC#N ZINC000192294618 644142273 /nfs/dbraw/zinc/14/22/73/644142273.db2.gz IDKFXCFJTWDIQX-QWRGUYRKSA-N 0 0 239.315 2.285 10 0 BEAERN C[C@@H](OC(=O)CCc1ccco1)[C@H]1CCOC1 ZINC000079177477 644160103 /nfs/dbraw/zinc/16/01/03/644160103.db2.gz WYRXLLLKJOUFRX-MNOVXSKESA-N 0 0 238.283 2.180 10 0 BEAERN Cc1ncsc1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000079188734 644161197 /nfs/dbraw/zinc/16/11/97/644161197.db2.gz AURJESYIEXUXPU-BDAKNGLRSA-N 0 0 241.312 2.033 10 0 BEAERN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)[C@H]1C[C@H]1C ZINC000321922457 644182380 /nfs/dbraw/zinc/18/23/80/644182380.db2.gz RGLCMPHTJMQLPA-KKZNHRDASA-N 0 0 246.310 2.474 10 0 BEAERN C[C@H](OC(=O)c1cnn(C)c1)c1cccs1 ZINC000194559162 644328624 /nfs/dbraw/zinc/32/86/24/644328624.db2.gz BYZIJLQNSCNULP-QMMMGPOBSA-N 0 0 236.296 2.400 10 0 BEAERN CO[C@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000194564935 644329406 /nfs/dbraw/zinc/32/94/06/644329406.db2.gz WKVUNPLOWKCHIK-HTQZYQBOSA-N 0 0 214.286 2.387 10 0 BEAERN CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000083312626 644402693 /nfs/dbraw/zinc/40/26/93/644402693.db2.gz YQTXVWFGGPHAAL-RMKNXTFCSA-N 0 0 237.255 2.492 10 0 BEAERN CC[C@H](C)C[C@H](C)NC(=O)n1ccnc1 ZINC000083865587 644412561 /nfs/dbraw/zinc/41/25/61/644412561.db2.gz RJGCRERQOGWXJV-UWVGGRQHSA-N 0 0 209.293 2.266 10 0 BEAERN O=C([O-])C1(SC2CCCCC2)CC[NH2+]CC1 ZINC000084985754 644434446 /nfs/dbraw/zinc/43/44/46/644434446.db2.gz KJBJYFTYVLKVCV-UHFFFAOYSA-N 0 0 243.372 2.259 10 0 BEAERN CC(=O)c1cccc(-n2ccc(C)n2)c1 ZINC000085976307 644454126 /nfs/dbraw/zinc/45/41/26/644454126.db2.gz BCHFWJKTKBMIHI-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CN[C@H](C)c1nc(C2Cc3ccccc3C2)no1 ZINC000087996999 644506095 /nfs/dbraw/zinc/50/60/95/644506095.db2.gz BBLFLLSRQKOMQO-SECBINFHSA-N 0 0 243.310 2.232 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1C1CCC1 ZINC000685952863 644518642 /nfs/dbraw/zinc/51/86/42/644518642.db2.gz FNRQPIDMFWJQMQ-UHFFFAOYSA-N 0 0 223.276 2.028 10 0 BEAERN COC(=O)[C@@H]1COc2cc(C)c(Cl)cc21 ZINC000685951877 644518663 /nfs/dbraw/zinc/51/86/63/644518663.db2.gz KIKJUIQQSCADRZ-MRVPVSSYSA-N 0 0 226.659 2.297 10 0 BEAERN COCCC[C@H](C)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000245534454 644529628 /nfs/dbraw/zinc/52/96/28/644529628.db2.gz DYQOMMPIGBQCLL-SRVKXCTJSA-N 0 0 244.331 2.017 10 0 BEAERN C[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CCOC1 ZINC000246079512 644562524 /nfs/dbraw/zinc/56/25/24/644562524.db2.gz DYLVOBRRDAVVQX-ZDDJMSTPSA-N 0 0 224.300 2.001 10 0 BEAERN COC[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)C1CC1 ZINC000246487276 644589683 /nfs/dbraw/zinc/58/96/83/644589683.db2.gz GXSKQYUJBKSOHI-SRVKXCTJSA-N 0 0 224.300 2.001 10 0 BEAERN COC[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000246487283 644590325 /nfs/dbraw/zinc/59/03/25/644590325.db2.gz GXSKQYUJBKSOHI-TUAOUCFPSA-N 0 0 224.300 2.001 10 0 BEAERN C[C@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@H]1CCOC1 ZINC000246630131 644599649 /nfs/dbraw/zinc/59/96/49/644599649.db2.gz YOPGWMBXHKRYGJ-JZRPKSSGSA-N 0 0 238.327 2.391 10 0 BEAERN CN(CCc1cccs1)C(=O)n1ccnc1 ZINC000091439090 644625720 /nfs/dbraw/zinc/62/57/20/644625720.db2.gz RMFYXGKUZRUGJX-UHFFFAOYSA-N 0 0 235.312 2.087 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CC[C@@H](C)O1)C(F)(F)F ZINC000248124773 644663430 /nfs/dbraw/zinc/66/34/30/644663430.db2.gz FUASRCSMCNLASQ-FSDSQADBSA-N 0 0 226.194 2.048 10 0 BEAERN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000248512114 644684942 /nfs/dbraw/zinc/68/49/42/644684942.db2.gz CEOLUNVMEKVATR-BJDJZHNGSA-N 0 0 226.316 2.247 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H]1C[C@H]1C1CC1 ZINC000248818666 644698359 /nfs/dbraw/zinc/69/83/59/644698359.db2.gz FEYHNIGJGRNAAO-LSJOCFKGSA-N 0 0 212.289 2.001 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000248818664 644700288 /nfs/dbraw/zinc/70/02/88/644700288.db2.gz FEYHNIGJGRNAAO-INTQDDNPSA-N 0 0 212.289 2.001 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)O[C@H]2CCc3cccnc32)O1 ZINC000248900988 644703820 /nfs/dbraw/zinc/70/38/20/644703820.db2.gz NEUMZHUTMSLCJU-ADEWGFFLSA-N 0 0 247.294 2.180 10 0 BEAERN Cc1nc(C(=O)N2CCC(F)(F)CC2)cs1 ZINC000096164847 644798973 /nfs/dbraw/zinc/79/89/73/644798973.db2.gz XBTFCAZOQYQZIH-UHFFFAOYSA-N 0 0 246.282 2.323 10 0 BEAERN CCC[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000251317080 644803065 /nfs/dbraw/zinc/80/30/65/644803065.db2.gz LEEJRCYQUGSFIN-AVGNSLFASA-N 0 0 233.311 2.385 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252216193 644843538 /nfs/dbraw/zinc/84/35/38/644843538.db2.gz XSYOPZBOLFVHNR-FOPUMGAHSA-N 0 0 236.359 2.327 10 0 BEAERN O=c1nc(CC2CC2)[nH]c2sccc21 ZINC000757121392 644864202 /nfs/dbraw/zinc/86/42/02/644864202.db2.gz LIMXAYHUUUELFA-UHFFFAOYSA-N 0 0 206.270 2.349 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CC[C@@H](C)O1)C1CCC1 ZINC000252593517 644868025 /nfs/dbraw/zinc/86/80/25/644868025.db2.gz ZVKAUYMEPLKUFO-FXPVBKGRSA-N 0 0 212.289 2.286 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@@H](N)CC2CC2)n1 ZINC000304340522 644893149 /nfs/dbraw/zinc/89/31/49/644893149.db2.gz IXKWZAUPLYLTMG-BDAKNGLRSA-N 0 0 221.304 2.383 10 0 BEAERN CSCC[C@@H](N)c1nc(CC2CCC2)no1 ZINC000304566646 644917767 /nfs/dbraw/zinc/91/77/67/644917767.db2.gz HKWZOVJIIJVWGU-SECBINFHSA-N 0 0 241.360 2.165 10 0 BEAERN CC(C)CC(=O)NCCC(=O)O[C@H](C)C(C)C ZINC000127234872 645820299 /nfs/dbraw/zinc/82/02/99/645820299.db2.gz FWMNATAPUFCTQY-LLVKDONJSA-N 0 0 243.347 2.127 10 0 BEAERN CCC(C)(CC)C(=O)OCc1nccn1C ZINC000133227817 645862623 /nfs/dbraw/zinc/86/26/23/645862623.db2.gz FYJTWMVMWPSSQP-UHFFFAOYSA-N 0 0 224.304 2.290 10 0 BEAERN CCCc1nccn1-c1cncc(C=O)c1 ZINC000135131917 645877372 /nfs/dbraw/zinc/87/73/72/645877372.db2.gz QEZHKZSXUUXZOC-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN Cc1cc(Cl)nc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000725680398 711761052 /nfs/dbraw/zinc/76/10/52/711761052.db2.gz CEHNVFHHSIAYJD-JGVFFNPUSA-N 0 0 224.691 2.182 10 0 BEAERN CC(C)OC(=O)NC[C@@H](C)CC(F)F ZINC000700229883 711988318 /nfs/dbraw/zinc/98/83/18/711988318.db2.gz XELFUXKDRAEJBR-ZETCQYMHSA-N 0 0 209.236 2.412 10 0 BEAERN COC1CC(NC(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000705873248 712137517 /nfs/dbraw/zinc/13/75/17/712137517.db2.gz FWRAMROSNWSHLA-LXHRWSGQSA-N 0 0 240.347 2.042 10 0 BEAERN O=C(N1C[C@@H]2CCCC[C@@H]21)N1CCCCC1 ZINC000706873371 712157928 /nfs/dbraw/zinc/15/79/28/712157928.db2.gz JCTBXOWXDLTNPA-RYUDHWBXSA-N 0 0 222.332 2.467 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)N1CCCCC1 ZINC000710652244 712265649 /nfs/dbraw/zinc/26/56/49/712265649.db2.gz VAKXNVRZDHLTCW-QJPTWQEYSA-N 0 0 222.332 2.371 10 0 BEAERN CC[C@H](NC(=O)/C=C/SC)C(C)C ZINC000379409285 712383233 /nfs/dbraw/zinc/38/32/33/712383233.db2.gz CPLMTTLLVJTWJX-UCUJLANTSA-N 0 0 201.335 2.414 10 0 BEAERN CCc1cc(NC2CC(COC)C2)nc(C)n1 ZINC000713930631 712473540 /nfs/dbraw/zinc/47/35/40/712473540.db2.gz LZXOJGSFQKOVTL-UHFFFAOYSA-N 0 0 235.331 2.184 10 0 BEAERN CCn1ncc(NC(=O)OC(C)(C)C)c1C=O ZINC000950757171 712726317 /nfs/dbraw/zinc/72/63/17/712726317.db2.gz DHSFZZRVPDBCKH-UHFFFAOYSA-N 0 0 239.275 2.063 10 0 BEAERN C[C@H]1CCN(C(=O)N2CCCCC2)[C@H]1C ZINC000380745459 712902691 /nfs/dbraw/zinc/90/26/91/712902691.db2.gz IPKNHOTZIYMWTL-QWRGUYRKSA-N 0 0 210.321 2.323 10 0 BEAERN C[C@@H](OC(=O)CCC(F)(F)F)[C@H]1CCOC1 ZINC000175284107 711450519 /nfs/dbraw/zinc/45/05/19/711450519.db2.gz LNWWJCIGPWJUNC-SFYZADRCSA-N 0 0 240.221 2.297 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1 ZINC000306707494 711460720 /nfs/dbraw/zinc/46/07/20/711460720.db2.gz MUOUDYMWKZTYGI-QWHCGFSZSA-N 0 0 233.311 2.118 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CNc2ccccc21)C1CC1 ZINC000134027892 711478931 /nfs/dbraw/zinc/47/89/31/711478931.db2.gz FLMXPERLSVLKEN-SKDRFNHKSA-N 0 0 230.311 2.110 10 0 BEAERN Fc1ccccc1[C@H]1CCNc2[nH+]ccn21 ZINC000236178814 711490548 /nfs/dbraw/zinc/49/05/48/711490548.db2.gz AVSOIZXWXTUURA-LLVKDONJSA-N 0 0 217.247 2.427 10 0 BEAERN CC(C)C[C@H]([NH2+][C@@H](C)C(C)C)C(=O)[O-] ZINC000043432136 711582793 /nfs/dbraw/zinc/58/27/93/711582793.db2.gz OBGIQVNAZVYROO-UWVGGRQHSA-N 0 0 201.310 2.120 10 0 BEAERN Cn1cnc(-c2nc([C@H]3CCCS3)no2)c1 ZINC000329738810 711644964 /nfs/dbraw/zinc/64/49/64/711644964.db2.gz UNNFTCGNOVOTEZ-MRVPVSSYSA-N 0 0 236.300 2.038 10 0 BEAERN CCNC(=S)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000136227647 711691149 /nfs/dbraw/zinc/69/11/49/711691149.db2.gz PTUPHCMLDHBBHM-GHMZBOCLSA-N 0 0 220.341 2.027 10 0 BEAERN C[C@H](CCn1cccn1)OC(=O)[C@H]1C[C@H]1C1CC1 ZINC000248481993 711727531 /nfs/dbraw/zinc/72/75/31/711727531.db2.gz BSCBUOJEGMGJKX-WXHSDQCUSA-N 0 0 248.326 2.251 10 0 BEAERN CCC1CCC(c2noc(CON)n2)CC1 ZINC000219176697 711748230 /nfs/dbraw/zinc/74/82/30/711748230.db2.gz YPMUJMAKPBJYNI-UHFFFAOYSA-N 0 0 225.292 2.144 10 0 BEAERN CO[C@H](C)C(=O)Oc1ccc2c(c1)CCC2 ZINC000127106653 711784351 /nfs/dbraw/zinc/78/43/51/711784351.db2.gz SYXCMTPPLIBXPJ-SECBINFHSA-N 0 0 220.268 2.116 10 0 BEAERN CC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700647124 712002142 /nfs/dbraw/zinc/00/21/42/712002142.db2.gz XMZNWDBWAIMRDG-ZWNOBZJWSA-N 0 0 233.311 2.043 10 0 BEAERN Cc1cc(F)ccc1C(=O)O[C@@H]1COC[C@@H]1C ZINC000705812759 712136601 /nfs/dbraw/zinc/13/66/01/712136601.db2.gz LGTJCTOZEDYQCI-JOYOIKCWSA-N 0 0 238.258 2.326 10 0 BEAERN O=Cc1cncc(-c2cn3c(n2)CCCC3)c1 ZINC000706320739 712143253 /nfs/dbraw/zinc/14/32/53/712143253.db2.gz PZLLTPLLAVTFSN-UHFFFAOYSA-N 0 0 227.267 2.094 10 0 BEAERN Cc1ccc(O)cc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000706749810 712153877 /nfs/dbraw/zinc/15/38/77/712153877.db2.gz KIWFKJCFISFYQU-MFKMUULPSA-N 0 0 231.295 2.325 10 0 BEAERN O=C(c1cccnc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000706771789 712155355 /nfs/dbraw/zinc/15/53/55/712155355.db2.gz HFXDCBGVFSDHTE-WCBMZHEXSA-N 0 0 236.702 2.360 10 0 BEAERN O=C(c1ccnc(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000706886994 712158920 /nfs/dbraw/zinc/15/89/20/712158920.db2.gz YQACUKUGCKHZRO-ZJUUUORDSA-N 0 0 236.702 2.360 10 0 BEAERN CSC1CC(NC(=O)NC2CCCC2)C1 ZINC000707235122 712166683 /nfs/dbraw/zinc/16/66/83/712166683.db2.gz SLJFJYTYXYKQNF-UHFFFAOYSA-N 0 0 228.361 2.122 10 0 BEAERN CC(C)OC(=O)N1CC(OC(C)(C)C)C1 ZINC000707311346 712169570 /nfs/dbraw/zinc/16/95/70/712169570.db2.gz IEHAEMVLGUBHHP-UHFFFAOYSA-N 0 0 215.293 2.031 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000707803981 712178489 /nfs/dbraw/zinc/17/84/89/712178489.db2.gz ALSYQRKCPKZVEA-JTQLQIEISA-N 0 0 237.324 2.189 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000707782457 712178528 /nfs/dbraw/zinc/17/85/28/712178528.db2.gz BKCWZMMYNZXGOX-DGAVXFQQSA-N 0 0 249.354 2.250 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707804869 712179127 /nfs/dbraw/zinc/17/91/27/712179127.db2.gz GGIWXYFBHSWCOG-PWSUYJOCSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC000707805936 712179360 /nfs/dbraw/zinc/17/93/60/712179360.db2.gz JRVVIOUFWFQKLI-ZYHUDNBSSA-N 0 0 225.332 2.106 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000707845585 712179621 /nfs/dbraw/zinc/17/96/21/712179621.db2.gz IJPYFZWZFPCENN-OLZOCXBDSA-N 0 0 249.354 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C)C1 ZINC000707841394 712179632 /nfs/dbraw/zinc/17/96/32/712179632.db2.gz WAMZLUVXDJUUQR-RTXFEEFZSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000707841149 712179671 /nfs/dbraw/zinc/17/96/71/712179671.db2.gz VNNLMOFFZAQLEI-NSHDSACASA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000707845583 712179879 /nfs/dbraw/zinc/17/98/79/712179879.db2.gz IJPYFZWZFPCENN-CHWSQXEVSA-N 0 0 249.354 2.394 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000707858784 712180264 /nfs/dbraw/zinc/18/02/64/712180264.db2.gz LFVKNYBNQVSHIW-LBPRGKRZSA-N 0 0 249.285 2.267 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000707854472 712180415 /nfs/dbraw/zinc/18/04/15/712180415.db2.gz ANCWNGVQQJNAMB-NSHDSACASA-N 0 0 249.285 2.267 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000707855645 712180432 /nfs/dbraw/zinc/18/04/32/712180432.db2.gz DMEJLNBVLWORKE-GFCCVEGCSA-N 0 0 249.310 2.338 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000707862086 712180561 /nfs/dbraw/zinc/18/05/61/712180561.db2.gz SKZJOXRWHJECKI-DGMVEKRQSA-N 0 0 247.294 2.120 10 0 BEAERN Cc1nc(CN[C@@H]2COc3ccccc32)[nH]c1C ZINC000709041226 712206662 /nfs/dbraw/zinc/20/66/62/712206662.db2.gz OAGOZIKNUFQYEB-GFCCVEGCSA-N 0 0 243.310 2.250 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC000711374739 712295691 /nfs/dbraw/zinc/29/56/91/712295691.db2.gz DCAXPLRFQQJNPB-JTQLQIEISA-N 0 0 229.320 2.326 10 0 BEAERN CC(C)OC(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711849743 712335496 /nfs/dbraw/zinc/33/54/96/712335496.db2.gz LLCCDXDRQVJSLV-RYUDHWBXSA-N 0 0 241.331 2.326 10 0 BEAERN COC(=O)c1sccc1C[NH2+][C@H]1C[C@H]1C ZINC000378659272 712356245 /nfs/dbraw/zinc/35/62/45/712356245.db2.gz FLMWOBKANXHKOE-APPZFPTMSA-N 0 0 225.313 2.033 10 0 BEAERN CCCc1nsc(NC2CC(COC)C2)n1 ZINC000714005524 712476862 /nfs/dbraw/zinc/47/68/62/712476862.db2.gz DAKXGIJDTNMCPX-UHFFFAOYSA-N 0 0 241.360 2.328 10 0 BEAERN COC(=O)c1ccccc1NCC1CC(OC)C1 ZINC000714566602 712494666 /nfs/dbraw/zinc/49/46/66/712494666.db2.gz KFONEGJJCDXCJW-UHFFFAOYSA-N 0 0 249.310 2.310 10 0 BEAERN Nc1cccc(-c2nc3c(s2)COCC3)c1 ZINC000036912306 712512137 /nfs/dbraw/zinc/51/21/37/712512137.db2.gz SSAHYLIQGSSBGK-UHFFFAOYSA-N 0 0 232.308 2.465 10 0 BEAERN C[C@@H](N[C@@H](C)c1cn(C)nn1)c1cccc(F)c1 ZINC000715882095 712539833 /nfs/dbraw/zinc/53/98/33/712539833.db2.gz KFPZJZGOUHTBNJ-ZJUUUORDSA-N 0 0 248.305 2.366 10 0 BEAERN C[C@@H](N[C@H](C)c1cccs1)c1cn(C)nn1 ZINC000715887734 712540126 /nfs/dbraw/zinc/54/01/26/712540126.db2.gz CCFPCXRBRNHNSC-RKDXNWHRSA-N 0 0 236.344 2.288 10 0 BEAERN C[C@H](N[C@H]1CCc2ccccc21)c1cn(C)nn1 ZINC000715904817 712541845 /nfs/dbraw/zinc/54/18/45/712541845.db2.gz WUHSETFTNONTFT-GWCFXTLKSA-N 0 0 242.326 2.153 10 0 BEAERN Cc1ccccc1N[C@@H](C)c1cn(C)nn1 ZINC000715924499 712542700 /nfs/dbraw/zinc/54/27/00/712542700.db2.gz VUSKDQAXLWTBOO-JTQLQIEISA-N 0 0 216.288 2.297 10 0 BEAERN CCCc1nccnc1N[C@H](CC)C[C@H](C)O ZINC000716814215 712576247 /nfs/dbraw/zinc/57/62/47/712576247.db2.gz HYFWCCUIYPUZPP-WDEREUQCSA-N 0 0 237.347 2.391 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000717115837 712632784 /nfs/dbraw/zinc/63/27/84/712632784.db2.gz WVBAOLZUVFRXKP-RCWTZXSCSA-N 0 0 211.305 2.413 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ccnc3ncccc23)C1 ZINC000718986510 712792418 /nfs/dbraw/zinc/79/24/18/712792418.db2.gz NSGNVOGVTGOGLS-MNOVXSKESA-N 0 0 243.310 2.345 10 0 BEAERN Cc1ccc(C)c(CN[C@H](C)c2cn(C)nn2)c1 ZINC000720595769 712856455 /nfs/dbraw/zinc/85/64/55/712856455.db2.gz NFMIKZOSLMCXSL-GFCCVEGCSA-N 0 0 244.342 2.283 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]1C ZINC000706917550 954959476 /nfs/dbraw/zinc/95/94/76/954959476.db2.gz QSZWBELAISXFPO-HTQZYQBOSA-N 0 0 225.313 2.287 10 0 BEAERN C[C@H]1CCCN(C(=O)c2cc(F)ccc2N)C1 ZINC000036882815 1166559139 /nfs/dbraw/zinc/55/91/39/1166559139.db2.gz XXYHZAMJDFMQSH-VIFPVBQESA-N 0 0 236.290 2.280 10 0 BEAERN C[C@H](O)c1ccc(N(C)[C@@H](C)C2CC2)nc1 ZINC000124915937 1166618765 /nfs/dbraw/zinc/61/87/65/1166618765.db2.gz JUOHXHZCLIKTKT-UWVGGRQHSA-N 0 0 220.316 2.370 10 0 BEAERN Cn1cc(NCCCC(F)(F)F)cn1 ZINC000123637946 1166899963 /nfs/dbraw/zinc/89/99/63/1166899963.db2.gz JFEXMXPUZXBGQD-UHFFFAOYSA-N 0 0 207.199 2.175 10 0 BEAERN C[C@H](Cc1ccsc1)[N@H+](C)C(C)(C)C(=O)[O-] ZINC000689949639 976270837 /nfs/dbraw/zinc/27/08/37/976270837.db2.gz SEBMDOIGESAWIV-SECBINFHSA-N 0 0 241.356 2.474 10 0 BEAERN C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635242 976378412 /nfs/dbraw/zinc/37/84/12/976378412.db2.gz TVBHSVUNQYWRSM-MXWKQRLJSA-N 0 0 225.332 2.218 10 0 BEAERN C[C@H]1CC([NH2+]CCC(C)(C)C(=O)[O-])C[C@H](C)O1 ZINC000694790780 976723490 /nfs/dbraw/zinc/72/34/90/976723490.db2.gz SMYAPUQWALJYAQ-UWVGGRQHSA-N 0 0 243.347 2.033 10 0 BEAERN CCC[C@](C)([NH2+]C[C@@H](COC)C(C)C)C(=O)[O-] ZINC000721885064 978128528 /nfs/dbraw/zinc/12/85/28/978128528.db2.gz XQBJPXWWGQWHQJ-AAEUAGOBSA-N 0 0 245.363 2.138 10 0 BEAERN CO[C@@H]1CCCC[C@@H]1OC(=O)C(C)C ZINC000130723806 978497272 /nfs/dbraw/zinc/49/72/72/978497272.db2.gz QCSAMEHTEBDIBY-ZJUUUORDSA-N 0 0 200.278 2.143 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(NC)cn1 ZINC000130034259 1168837247 /nfs/dbraw/zinc/83/72/47/1168837247.db2.gz PFEAPJJLCWIGSU-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c(F)c1 ZINC000686308086 954608947 /nfs/dbraw/zinc/60/89/47/954608947.db2.gz GEILRWJAGFKFEI-LBPRGKRZSA-N 0 0 237.274 2.183 10 0 BEAERN C[C@H]1CC[C@@H]([NH2+]CCCCC(=O)[O-])CS1 ZINC000689527656 954661554 /nfs/dbraw/zinc/66/15/54/954661554.db2.gz UOIJCPFSRFVLJJ-VHSXEESVSA-N 0 0 231.361 2.115 10 0 BEAERN CC(C)(C)C[N@@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000692144300 954692686 /nfs/dbraw/zinc/69/26/86/954692686.db2.gz KAWQCCOXVMSSEC-UHFFFAOYSA-N 0 0 249.301 2.464 10 0 BEAERN O=C([O-])CCCC[N@@H+]1CCCC2(CC2)C1 ZINC000695119680 954807281 /nfs/dbraw/zinc/80/72/81/954807281.db2.gz NPRJMAVPGNGKKB-UHFFFAOYSA-N 0 0 211.305 2.117 10 0 BEAERN O=C([O-])CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706745200 954954853 /nfs/dbraw/zinc/95/48/53/954954853.db2.gz UTDWBSMMZHXCLB-QWRGUYRKSA-N 0 0 211.305 2.116 10 0 BEAERN CSC1CC([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000706881952 954959719 /nfs/dbraw/zinc/95/97/19/954959719.db2.gz FMLWTULNHVSSCA-UHFFFAOYSA-N 0 0 243.372 2.113 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000706917552 954960544 /nfs/dbraw/zinc/96/05/44/954960544.db2.gz QSZWBELAISXFPO-JGVFFNPUSA-N 0 0 225.313 2.287 10 0 BEAERN C[C@H]1CC[N@H+](CC2=CCCC2)C[C@H]1C(=O)[O-] ZINC000710495469 955026682 /nfs/dbraw/zinc/02/66/82/955026682.db2.gz NQSZMSHSEZBQHX-CMPLNLGQSA-N 0 0 223.316 2.139 10 0 BEAERN CO[C@H]1CCC[C@H]([NH2+]CCCCC(=O)[O-])CC1 ZINC000718375742 955157457 /nfs/dbraw/zinc/15/74/57/955157457.db2.gz VRRXHMJOTSBARC-RYUDHWBXSA-N 0 0 243.347 2.179 10 0 BEAERN C[C@@H]1C[C@H]([NH2+]CCCCCC(=O)[O-])C[C@H](C)O1 ZINC000724667290 955210001 /nfs/dbraw/zinc/21/00/01/955210001.db2.gz HDXGCYZTIJOPTM-GDNZZTSVSA-N 0 0 243.347 2.177 10 0 BEAERN CCC1(CC)CN(C/C=C\Cl)CC[S@]1=O ZINC000588484868 958748969 /nfs/dbraw/zinc/74/89/69/958748969.db2.gz NNFATAOHEGYDEW-IYKSTZQJSA-N 0 0 249.807 2.362 10 0 BEAERN COC[C@H](C)COC(=O)/C=C\c1ccco1 ZINC000588485340 958750758 /nfs/dbraw/zinc/75/07/58/958750758.db2.gz FTJLCCYEEHHWGK-OMMCCPJFSA-N 0 0 224.256 2.119 10 0 BEAERN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCCOC1 ZINC000588497969 958853077 /nfs/dbraw/zinc/85/30/77/958853077.db2.gz PYIGOVMJFOXZGK-HIJJYWJESA-N 0 0 225.332 2.274 10 0 BEAERN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CCCOC1 ZINC000588497970 958853186 /nfs/dbraw/zinc/85/31/86/958853186.db2.gz PYIGOVMJFOXZGK-IEHMKBBKSA-N 0 0 225.332 2.274 10 0 BEAERN C/C=C(/CC)C(=O)OCc1nncn1CCC ZINC000588570179 959255907 /nfs/dbraw/zinc/25/59/07/959255907.db2.gz MMKKRHHIFFDTHT-YHYXMXQVSA-N 0 0 237.303 2.088 10 0 BEAERN CC(C)CONC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000135327550 959515784 /nfs/dbraw/zinc/51/57/84/959515784.db2.gz RSNGSNZFMJFXTK-QWHCGFSZSA-N 0 0 233.311 2.494 10 0 BEAERN CC(=O)NC[C@H](C)OC(=O)/C(C)=C\C(C)(C)C ZINC000588508134 960072496 /nfs/dbraw/zinc/07/24/96/960072496.db2.gz MESFFPQLEJYHST-RNKPRXRFSA-N 0 0 241.331 2.047 10 0 BEAERN C[C@@H](OCC1CC1)C(=O)N[C@H](C)C(C)(C)C ZINC000112248957 960860443 /nfs/dbraw/zinc/86/04/43/960860443.db2.gz YHGIDAVGXIIXDI-NXEZZACHSA-N 0 0 227.348 2.352 10 0 BEAERN CCCCCNC(=O)c1cccc(F)c1N ZINC000054190144 963909293 /nfs/dbraw/zinc/90/92/93/963909293.db2.gz PFNGUSCAYUDRNE-UHFFFAOYSA-N 0 0 224.279 2.328 10 0 BEAERN CC(C)CCCC[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000703949116 969002147 /nfs/dbraw/zinc/00/21/47/969002147.db2.gz DGXVRISJJIYDMT-LLVKDONJSA-N 0 0 215.337 2.465 10 0 BEAERN O=C([O-])CCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710925188 969051460 /nfs/dbraw/zinc/05/14/60/969051460.db2.gz NKBGZRJUYDMJAI-URLYPYJESA-N 0 0 211.305 2.020 10 0 BEAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)CC1CCCC1 ZINC000712514604 969063461 /nfs/dbraw/zinc/06/34/61/969063461.db2.gz LFNUAHOYRUMFAK-UWVGGRQHSA-N 0 0 213.321 2.408 10 0 BEAERN C[N@H+](CCCC(=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC000714338728 969076404 /nfs/dbraw/zinc/07/64/04/969076404.db2.gz LKTCCNBDTMWDNA-NSHDSACASA-N 0 0 243.347 2.131 10 0 BEAERN CC1(NC(=O)c2cc(F)ccc2N)CCCC1 ZINC000042176003 972960270 /nfs/dbraw/zinc/96/02/70/972960270.db2.gz FFCHZFQEJGTANX-UHFFFAOYSA-N 0 0 236.290 2.470 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1cc(N)ccn1 ZINC000125910120 973039430 /nfs/dbraw/zinc/03/94/30/973039430.db2.gz KIEOXMXUAFCPHL-GFCCVEGCSA-N 0 0 247.342 2.459 10 0 BEAERN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCC(C)(C)C(=O)[O-] ZINC000399815009 973241985 /nfs/dbraw/zinc/24/19/85/973241985.db2.gz YDPURPAEGSDAOW-OUAUKWLOSA-N 0 0 227.348 2.464 10 0 BEAERN Cc1cc(C)c(C(=O)NCc2cccc(C)n2)[nH]1 ZINC000128263968 973785331 /nfs/dbraw/zinc/78/53/31/973785331.db2.gz XDEGVVBWLKGETC-UHFFFAOYSA-N 0 0 243.310 2.265 10 0 BEAERN O=C([O-])c1cc(C[NH2+]CCCCF)cs1 ZINC000689185363 976238839 /nfs/dbraw/zinc/23/88/39/976238839.db2.gz CICGXXXCHQGBQR-UHFFFAOYSA-N 0 0 231.292 2.286 10 0 BEAERN CCC(CC)([NH2+]CCOCC1CCC1)C(=O)[O-] ZINC000690491566 976307973 /nfs/dbraw/zinc/30/79/73/976307973.db2.gz VSVYYEWVRCSXAU-UHFFFAOYSA-N 0 0 243.347 2.036 10 0 BEAERN C[C@H]1CCCC[C@H]1[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635894 976378507 /nfs/dbraw/zinc/37/85/07/976378507.db2.gz ZAIFSSWUIGRLDE-WDEREUQCSA-N 0 0 225.332 2.362 10 0 BEAERN CC[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)C(=O)[O-] ZINC000693610265 976647032 /nfs/dbraw/zinc/64/70/32/976647032.db2.gz POKXLHUQJJQNSH-SCVCMEIPSA-N 0 0 211.305 2.020 10 0 BEAERN O=C([O-])CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694371849 976691978 /nfs/dbraw/zinc/69/19/78/976691978.db2.gz LBPHIPGHYSCNFU-OUAUKWLOSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@@H]1CC([NH2+]CCC(C)(C)C(=O)[O-])C[C@@H](C)O1 ZINC000694790779 976724714 /nfs/dbraw/zinc/72/47/14/976724714.db2.gz SMYAPUQWALJYAQ-NXEZZACHSA-N 0 0 243.347 2.033 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCC=C(Cl)C1 ZINC000695089453 976776315 /nfs/dbraw/zinc/77/63/15/976776315.db2.gz DODYWHHXHSCLTQ-JTQLQIEISA-N 0 0 231.723 2.314 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCS[C@H](C)CC1 ZINC000695166583 976787346 /nfs/dbraw/zinc/78/73/46/976787346.db2.gz MSWBWSWTNULZCZ-MNOVXSKESA-N 0 0 245.388 2.313 10 0 BEAERN CC(C)C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)[O-] ZINC000697337396 976840675 /nfs/dbraw/zinc/84/06/75/976840675.db2.gz VWVVNLQZPBVLBE-JTQLQIEISA-N 0 0 211.305 2.018 10 0 BEAERN CC1(CC[NH2+]Cc2ncc(C(=O)[O-])s2)CC1 ZINC000698119119 976878482 /nfs/dbraw/zinc/87/84/82/976878482.db2.gz BGTCRUOOJSLJPM-UHFFFAOYSA-N 0 0 240.328 2.121 10 0 BEAERN Cc1[nH]c(C[NH2+][C@]2(C)CC2(C)C)cc1C(=O)[O-] ZINC000702028920 977060483 /nfs/dbraw/zinc/06/04/83/977060483.db2.gz IXKOCILPJRNRGR-CYBMUJFWSA-N 0 0 236.315 2.300 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]CCC2(F)CCC2)o1 ZINC000702435081 977084723 /nfs/dbraw/zinc/08/47/23/977084723.db2.gz MGPNVCOSCRVLCT-UHFFFAOYSA-N 0 0 241.262 2.350 10 0 BEAERN Cc1cc(C[N@@H+](C)C(C)(C)CC(=O)[O-])sn1 ZINC000703298716 977161916 /nfs/dbraw/zinc/16/19/16/977161916.db2.gz BKWDYNDWKFKWBU-UHFFFAOYSA-N 0 0 242.344 2.137 10 0 BEAERN O=C([O-])c1cccc(C[NH+]2CCC3(CC3)CC2)n1 ZINC000706396040 977314195 /nfs/dbraw/zinc/31/41/95/977314195.db2.gz YQJNIQNKQNVJKO-UHFFFAOYSA-N 0 0 246.310 2.156 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)nc1 ZINC000706437918 977320347 /nfs/dbraw/zinc/32/03/47/977320347.db2.gz PMIFBEARKARUFM-CYBMUJFWSA-N 0 0 246.310 2.154 10 0 BEAERN CC[N@H+](C/C(C)=C\C(=O)[O-])[C@@H](C)C(C)C ZINC000706666170 977358202 /nfs/dbraw/zinc/35/82/02/977358202.db2.gz KBXFYVLLKZEOSC-BRNRAETOSA-N 0 0 213.321 2.384 10 0 BEAERN CC[N@H+](C/C(C)=C\C(=O)[O-])[C@H](C)C(C)C ZINC000706666173 977358361 /nfs/dbraw/zinc/35/83/61/977358361.db2.gz KBXFYVLLKZEOSC-ZJRUKIMVSA-N 0 0 213.321 2.384 10 0 BEAERN CC[C@@H]([NH2+]CC[C@H]1CC=CCC1)C(=O)[O-] ZINC000706753967 977360926 /nfs/dbraw/zinc/36/09/26/977360926.db2.gz KMKMXPBIRBKBDJ-WDEREUQCSA-N 0 0 211.305 2.186 10 0 BEAERN CC[N@H+](CC1(CC(=O)[O-])CC1)C1CCC1 ZINC000706771736 977361601 /nfs/dbraw/zinc/36/16/01/977361601.db2.gz UJVSTPOCAYWTCT-UHFFFAOYSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccsc2C(=O)[O-])[C@@H]1C ZINC000706915252 977368479 /nfs/dbraw/zinc/36/84/79/977368479.db2.gz MWTZLBWDCFNSNE-HTQZYQBOSA-N 0 0 225.313 2.287 10 0 BEAERN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000707006281 977372520 /nfs/dbraw/zinc/37/25/20/977372520.db2.gz WFOJZTJQXQQEGO-WCBMZHEXSA-N 0 0 237.324 2.349 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)s1 ZINC000707002882 977372552 /nfs/dbraw/zinc/37/25/52/977372552.db2.gz MJLBXYAHKJVDJR-IONNQARKSA-N 0 0 223.297 2.041 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC000707002873 977372760 /nfs/dbraw/zinc/37/27/60/977372760.db2.gz MJLBXYAHKJVDJR-APPZFPTMSA-N 0 0 223.297 2.041 10 0 BEAERN O=C([O-])CCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708821952 977444096 /nfs/dbraw/zinc/44/40/96/977444096.db2.gz IHJAEKJAKJZSDG-LBPRGKRZSA-N 0 0 225.332 2.363 10 0 BEAERN CC[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)C(=O)[O-] ZINC000709736471 977468749 /nfs/dbraw/zinc/46/87/49/977468749.db2.gz KRSMZNXVAJEBCI-NXEZZACHSA-N 0 0 243.347 2.033 10 0 BEAERN C[C@H]1C[N@H+](CCCCCF)C[C@]1(C)C(=O)[O-] ZINC000710161127 977488448 /nfs/dbraw/zinc/48/84/48/977488448.db2.gz OFXLSYKNUPTJKX-JQWIXIFHSA-N 0 0 231.311 2.169 10 0 BEAERN CCCC[C@H]([NH2+]C[C@H]1C=CCC1)C(=O)[O-] ZINC000711732901 977569340 /nfs/dbraw/zinc/56/93/40/977569340.db2.gz UQLZTEVLJDJFEI-QWRGUYRKSA-N 0 0 211.305 2.186 10 0 BEAERN C=C/C=C/CC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000713711162 977658167 /nfs/dbraw/zinc/65/81/67/977658167.db2.gz QSFCPHSCVQIEHF-PCAWENJQSA-N 0 0 223.316 2.448 10 0 BEAERN C[C@H]([NH2+][C@@H]1CC12CC2)c1ncc(C(=O)[O-])s1 ZINC000715273898 977718798 /nfs/dbraw/zinc/71/87/98/977718798.db2.gz XCRXMTLWMIJINC-POYBYMJQSA-N 0 0 238.312 2.044 10 0 BEAERN C[C@@H]([NH2+][C@@H]1CC12CC2)c1ncc(C(=O)[O-])s1 ZINC000715273897 977718989 /nfs/dbraw/zinc/71/89/89/977718989.db2.gz XCRXMTLWMIJINC-HTRCEHHLSA-N 0 0 238.312 2.044 10 0 BEAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000716459638 977839903 /nfs/dbraw/zinc/83/99/03/977839903.db2.gz FKRQCODDTFCDEY-YJQGPUDQSA-N 0 0 249.310 2.360 10 0 BEAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000716461603 977842426 /nfs/dbraw/zinc/84/24/26/977842426.db2.gz JVAUUSXSLCWOCI-PNZRWIHMSA-N 0 0 249.310 2.360 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000717381690 977897041 /nfs/dbraw/zinc/89/70/41/977897041.db2.gz FHTFYVWSARSHBP-WDEREUQCSA-N 0 0 243.347 2.035 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC000718074576 977941588 /nfs/dbraw/zinc/94/15/88/977941588.db2.gz XNOMWDFQFCFNEQ-FZMZJTMJSA-N 0 0 249.310 2.275 10 0 BEAERN CSCC1CC[NH+](C/C(C)=C\C(=O)[O-])CC1 ZINC000719237992 977997294 /nfs/dbraw/zinc/99/72/94/977997294.db2.gz NYSZJVXVVJFHQT-YFHOEESVSA-N 0 0 243.372 2.092 10 0 BEAERN Cc1ccc(C[N@H+](C)CCCCC(=O)[O-])nc1 ZINC000719395863 978000974 /nfs/dbraw/zinc/00/09/74/978000974.db2.gz PDTDJMFUWNBHRE-UHFFFAOYSA-N 0 0 236.315 2.077 10 0 BEAERN CCC(C)(C)[N@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721541402 978116946 /nfs/dbraw/zinc/11/69/46/978116946.db2.gz NJRHLYVYIPUKTR-UHFFFAOYSA-N 0 0 236.315 2.400 10 0 BEAERN O=C([O-])c1cncc(C[NH+]2CCC3(CC3)CC2)c1 ZINC000721529956 978117045 /nfs/dbraw/zinc/11/70/45/978117045.db2.gz HJTMVMJEMWIHPT-UHFFFAOYSA-N 0 0 246.310 2.156 10 0 BEAERN CC[N@H+](CCC1CC1)Cc1cncc(C(=O)[O-])c1 ZINC000721581541 978119467 /nfs/dbraw/zinc/11/94/67/978119467.db2.gz RVLWGZHGBHLDDQ-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN C/C(Cl)=C/C(=O)Nc1ccc(O)cc1 ZINC000002020297 984008519 /nfs/dbraw/zinc/00/85/19/984008519.db2.gz WZFJKTHDWJDCPG-SREVYHEPSA-N 0 0 211.648 2.473 10 0 BEAERN CN(Cc1ccco1)C(=O)c1cc(F)ccc1N ZINC000035702067 986805551 /nfs/dbraw/zinc/80/55/51/986805551.db2.gz AIPMTEDGHUZWNI-UHFFFAOYSA-N 0 0 248.257 2.273 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N[C@@H](C)C1(C)CC1 ZINC000037508291 1170953253 /nfs/dbraw/zinc/95/32/53/1170953253.db2.gz ITYXJLXUWUHNOM-WDEREUQCSA-N 0 0 227.348 2.352 10 0 BEAERN COC(=O)[C@H](CC(C)C)N[C@@H](C)C1(C)CC1 ZINC000037508290 1170954494 /nfs/dbraw/zinc/95/44/94/1170954494.db2.gz ITYXJLXUWUHNOM-QWRGUYRKSA-N 0 0 227.348 2.352 10 0 BEAERN CCCCN1C(=O)CN(c2ccccc2)C1=O ZINC000037606654 1170958560 /nfs/dbraw/zinc/95/85/60/1170958560.db2.gz CLNYWSHRAVOKCW-UHFFFAOYSA-N 0 0 232.283 2.255 10 0 BEAERN CSCCCC(=O)Nc1ccc(F)c(N)c1 ZINC000038063588 1171010255 /nfs/dbraw/zinc/01/02/55/1171010255.db2.gz RTGLALWQWXPKOQ-UHFFFAOYSA-N 0 0 242.319 2.490 10 0 BEAERN O=C(Cc1ccccc1)NC1CC=CC1 ZINC000038235339 1171037748 /nfs/dbraw/zinc/03/77/48/1171037748.db2.gz HUGLXROQXZBSIL-UHFFFAOYSA-N 0 0 201.269 2.064 10 0 BEAERN CNc1ncccc1C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000050749999 1171839149 /nfs/dbraw/zinc/83/91/49/1171839149.db2.gz UJDIZONRFYEDPF-MNOVXSKESA-N 0 0 247.342 2.432 10 0 BEAERN Cc1cc(C)cc(Oc2ccc(NN)nn2)c1 ZINC000073666460 177913425 /nfs/dbraw/zinc/91/34/25/177913425.db2.gz WTFZAXWZIPPTLC-UHFFFAOYSA-N 0 0 230.271 2.171 10 0 BEAERN Cc1cccc2c1N[C@H](C1CCC1)[C@H](O)C2 ZINC000685963669 538910656 /nfs/dbraw/zinc/91/06/56/538910656.db2.gz VLBUDJHRNCHKBG-TZMCWYRMSA-N 0 0 217.312 2.493 10 0 BEAERN CCc1ccc2c(c1)C[C@H](O)[C@@H](C(F)F)N2 ZINC000685963706 538910658 /nfs/dbraw/zinc/91/06/58/538910658.db2.gz VXONGRGMKSSOQC-QWRGUYRKSA-N 0 0 227.254 2.212 10 0 BEAERN CC(C)(C)OCC(F)(F)CNC1CC1 ZINC000685955330 538900968 /nfs/dbraw/zinc/90/09/68/538900968.db2.gz CNFPCJNDSJECHM-UHFFFAOYSA-N 0 0 207.264 2.189 10 0 BEAERN CCNCC(F)(F)COCc1ccccc1 ZINC000685957002 538901157 /nfs/dbraw/zinc/90/11/57/538901157.db2.gz JXDNXHZOPZSCLF-UHFFFAOYSA-N 0 0 229.270 2.448 10 0 BEAERN Cc1cc(C)n(-c2cc(F)ccc2N)n1 ZINC000052122197 177919280 /nfs/dbraw/zinc/91/92/80/177919280.db2.gz OEBLDYCCKMNXFK-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1nc(C(Cl)(Cl)Cl)ncc1CO ZINC000685956299 538902130 /nfs/dbraw/zinc/90/21/30/538902130.db2.gz QOZGNHKFZGYBPG-UHFFFAOYSA-N 0 0 241.505 2.104 10 0 BEAERN CCC(C)(CC)NC(=O)c1ccc2nncn2c1 ZINC000112828295 168309915 /nfs/dbraw/zinc/30/99/15/168309915.db2.gz VHQYASGUVUZWOW-UHFFFAOYSA-N 0 0 246.314 2.038 10 0 BEAERN CCNCC(F)(F)CO[C@@H](C)C1CC1 ZINC000685956907 538902448 /nfs/dbraw/zinc/90/24/48/538902448.db2.gz JGVUMFGXODYLEF-QMMMGPOBSA-N 0 0 207.264 2.046 10 0 BEAERN CNCC(F)(F)CO[C@H]1CC[C@@H](C)C1 ZINC000685956429 538902667 /nfs/dbraw/zinc/90/26/67/538902667.db2.gz DLQLIZDVAWPLLJ-BDAKNGLRSA-N 0 0 207.264 2.046 10 0 BEAERN CNCC(F)(F)CO[C@@H]1CC[C@@H](C)C1 ZINC000685956433 538903016 /nfs/dbraw/zinc/90/30/16/538903016.db2.gz DLQLIZDVAWPLLJ-RKDXNWHRSA-N 0 0 207.264 2.046 10 0 BEAERN CCOC(=O)C(F)(F)Cc1ccoc1 ZINC000685957166 538903874 /nfs/dbraw/zinc/90/38/74/538903874.db2.gz SRMHIEKOEJHWDO-UHFFFAOYSA-N 0 0 204.172 2.021 10 0 BEAERN CCOC(=O)C(F)(F)Cc1ccsc1 ZINC000685957439 538904447 /nfs/dbraw/zinc/90/44/47/538904447.db2.gz YBQPMDNAOWWXJE-UHFFFAOYSA-N 0 0 220.240 2.489 10 0 BEAERN CNCC(F)(F)COCC1CCCC1 ZINC000685957192 538904514 /nfs/dbraw/zinc/90/45/14/538904514.db2.gz UHSJXXUIRZALRF-UHFFFAOYSA-N 0 0 207.264 2.048 10 0 BEAERN CCCNCC(F)(F)CO[C@H](C)CC ZINC000685958265 538905265 /nfs/dbraw/zinc/90/52/65/538905265.db2.gz VWKKDYBDNVGFKC-SECBINFHSA-N 0 0 209.280 2.436 10 0 BEAERN CCC1(C(C)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000685958279 538905397 /nfs/dbraw/zinc/90/53/97/538905397.db2.gz CRJRANWQCPOEPO-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN COC[C@@]1(C)[C@H](C)C(=O)NC12CCCCC2 ZINC000685958460 538905795 /nfs/dbraw/zinc/90/57/95/538905795.db2.gz QEVVZFMJSXKVDU-PWSUYJOCSA-N 0 0 225.332 2.108 10 0 BEAERN O=C1c2cccc(F)c2CN1C1CCC1 ZINC000685958504 538906071 /nfs/dbraw/zinc/90/60/71/538906071.db2.gz WZLHPBJDFGMNSZ-UHFFFAOYSA-N 0 0 205.232 2.334 10 0 BEAERN C[C@H]1C(=O)NC2(CCCCC2)[C@@H]1C1CC1 ZINC000685958372 538906108 /nfs/dbraw/zinc/90/61/08/538906108.db2.gz MQDRICIMGKDYMZ-KOLCDFICSA-N 0 0 207.317 2.481 10 0 BEAERN CCC[C@@H](C)[C@@H]1CC(=O)NC12CCOCC2 ZINC000685958684 538906265 /nfs/dbraw/zinc/90/62/65/538906265.db2.gz DOSQTJLEWKIRID-MNOVXSKESA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1OCC[C@@]12CC(=O)NC21CCCCC1 ZINC000685958915 538906410 /nfs/dbraw/zinc/90/64/10/538906410.db2.gz IDTDBYXINSLRCT-CMPLNLGQSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000685959629 538906703 /nfs/dbraw/zinc/90/67/03/538906703.db2.gz KEJIPIBVCRHSSE-SNVBAGLBSA-N 0 0 241.331 2.469 10 0 BEAERN COC(C)(C)[C@@H]1CC(=O)NC12CCCCC2 ZINC000685959156 538906769 /nfs/dbraw/zinc/90/67/69/538906769.db2.gz KLWSYHHULMUSRL-JTQLQIEISA-N 0 0 225.332 2.250 10 0 BEAERN COC1CC2(C1)CC(=O)NC21CCCCC1 ZINC000685959152 538906939 /nfs/dbraw/zinc/90/69/39/538906939.db2.gz KGLOBTRROBXWJD-UHFFFAOYSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000685959628 538906945 /nfs/dbraw/zinc/90/69/45/538906945.db2.gz KEJIPIBVCRHSSE-JTQLQIEISA-N 0 0 241.331 2.469 10 0 BEAERN CC[C@H](OC)[C@H]1CC(=O)NC12CCCCC2 ZINC000685960021 538907237 /nfs/dbraw/zinc/90/72/37/538907237.db2.gz XOGLGGCGPXXBSU-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000685962084 538909038 /nfs/dbraw/zinc/90/90/38/538909038.db2.gz TVNTWCAREDRINF-QMMMGPOBSA-N 0 0 249.257 2.078 10 0 BEAERN CCc1cccc2c1N[C@H](C1CC1)[C@H](O)C2 ZINC000685963271 538909135 /nfs/dbraw/zinc/90/91/35/538909135.db2.gz KQTWZIGRJQOAQE-TZMCWYRMSA-N 0 0 217.312 2.357 10 0 BEAERN C[C@@H]1C[C@@H]1CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000685962676 538909516 /nfs/dbraw/zinc/90/95/16/538909516.db2.gz OUYNJWDXDQIDRF-NXEZZACHSA-N 0 0 241.331 2.469 10 0 BEAERN CCC[C@@H]1Nc2c(C)cccc2C[C@@H]1O ZINC000685962951 538909644 /nfs/dbraw/zinc/90/96/44/538909644.db2.gz BJPYHBQNKYSLFZ-RYUDHWBXSA-N 0 0 205.301 2.493 10 0 BEAERN C[C@@H]1C[C@H]1CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000685962679 538909809 /nfs/dbraw/zinc/90/98/09/538909809.db2.gz OUYNJWDXDQIDRF-ZJUUUORDSA-N 0 0 241.331 2.469 10 0 BEAERN CCc1cccc2c1N[C@H](C(F)F)[C@@H](O)C2 ZINC000685963224 538909998 /nfs/dbraw/zinc/90/99/98/538909998.db2.gz JRRYATKRYIIKBP-ONGXEEELSA-N 0 0 227.254 2.212 10 0 BEAERN O[C@@H]1Cc2ccccc2N[C@@H]1C1CCC1 ZINC000685963209 538910044 /nfs/dbraw/zinc/91/00/44/538910044.db2.gz JNZSVGZXGGGYOX-CHWSQXEVSA-N 0 0 203.285 2.184 10 0 BEAERN Cc1nc2cc(Cl)ccc2cc1NN ZINC000685963514 538910095 /nfs/dbraw/zinc/91/00/95/538910095.db2.gz QZWYFAGZLOCKAU-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN CC(C)(C)[C@@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000685963509 538910147 /nfs/dbraw/zinc/91/01/47/538910147.db2.gz QSXQWTJVXWMOCP-VXGBXAGGSA-N 0 0 220.316 2.012 10 0 BEAERN CC[C@H](C)[C@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000685963575 538910350 /nfs/dbraw/zinc/91/03/50/538910350.db2.gz SVWGGLSDQZBBHO-AQUOVQTQSA-N 0 0 220.316 2.012 10 0 BEAERN CC[C@H]1Nc2c(C)cccc2C[C@]1(C)O ZINC000685963726 538910377 /nfs/dbraw/zinc/91/03/77/538910377.db2.gz WDDDCYPJKQWVLT-YPMHNXCESA-N 0 0 205.301 2.493 10 0 BEAERN Fc1ccc(-c2n[nH]c3c2CSCC3)cn1 ZINC000685952308 538896513 /nfs/dbraw/zinc/89/65/13/538896513.db2.gz FFAZQMCZJXOZTQ-UHFFFAOYSA-N 0 0 235.287 2.400 10 0 BEAERN Cc1cc(C)cc(Cn2cnc(N)c2)c1 ZINC000685964240 538911055 /nfs/dbraw/zinc/91/10/55/538911055.db2.gz UMSMRFWJMVMEJY-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN CCCCCn1cc2c(n1)[C@H](C)NC(=O)O2 ZINC000685965525 538911890 /nfs/dbraw/zinc/91/18/90/538911890.db2.gz IELXTZIEWSKHGR-QMMMGPOBSA-N 0 0 223.276 2.236 10 0 BEAERN CC[C@@H](C)n1cc2c(n1)[C@@H](C)NC(=O)O2 ZINC000685965598 538911996 /nfs/dbraw/zinc/91/19/96/538911996.db2.gz KZNQUVOLXMVHDI-RNFRBKRXSA-N 0 0 209.249 2.017 10 0 BEAERN CC(C)OCn1cc2ccc(N)cc2n1 ZINC000685965661 538912376 /nfs/dbraw/zinc/91/23/76/538912376.db2.gz OAKVAMSBVCFVCN-UHFFFAOYSA-N 0 0 205.261 2.001 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000161640376 538917142 /nfs/dbraw/zinc/91/71/42/538917142.db2.gz GVOVGQYXCSKAQT-WDEREUQCSA-N 0 0 227.348 2.210 10 0 BEAERN O=C(Cc1ccccc1)[C@H]1CCCOC1 ZINC000062236791 349462158 /nfs/dbraw/zinc/46/21/58/349462158.db2.gz JKISGWGLMSTORJ-LBPRGKRZSA-N 0 0 204.269 2.225 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnnc2)C1 ZINC000616611773 349467008 /nfs/dbraw/zinc/46/70/08/349467008.db2.gz OISZENRILHKDRV-LLVKDONJSA-N 0 0 249.314 2.201 10 0 BEAERN Cc1cc(CCO)ccc1Br ZINC000083224014 177966169 /nfs/dbraw/zinc/96/61/69/177966169.db2.gz KYRREYGPAJFLFN-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN CN1CC[C@H](c2c[nH]cn2)c2ccccc21 ZINC000616588414 349492264 /nfs/dbraw/zinc/49/22/64/349492264.db2.gz AHFGBUYWKMTASI-JTQLQIEISA-N 0 0 213.284 2.382 10 0 BEAERN CCC(CC)(CO)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000053069927 168327781 /nfs/dbraw/zinc/32/77/81/168327781.db2.gz XPNXMKJTRDAEFM-QJPTWQEYSA-N 0 0 239.359 2.090 10 0 BEAERN CCC(CC)([NH2+]CC(=O)c1ccccc1)C(=O)[O-] ZINC000205002371 168331256 /nfs/dbraw/zinc/33/12/56/168331256.db2.gz APBCZXVLDDCOBK-UHFFFAOYSA-N 0 0 249.310 2.102 10 0 BEAERN Nc1cc(Cc2ccc(Cl)cc2)ncn1 ZINC000257779862 349483672 /nfs/dbraw/zinc/48/36/72/349483672.db2.gz YUQYNVAQKKFTOQ-UHFFFAOYSA-N 0 0 219.675 2.303 10 0 BEAERN Cc1cc(CN2CCc3c(N)cccc3C2)no1 ZINC000038032898 178003408 /nfs/dbraw/zinc/00/34/08/178003408.db2.gz SVOGZXPQUNMYJA-UHFFFAOYSA-N 0 0 243.310 2.124 10 0 BEAERN Cc1cc(CNCc2ccn(C)n2)cc(C)c1O ZINC000112344934 178026985 /nfs/dbraw/zinc/02/69/85/178026985.db2.gz HDXZDUIXVAJKJA-UHFFFAOYSA-N 0 0 245.326 2.032 10 0 BEAERN COC(=O)[C@@H](CCCc1ccccc1)[C@H](C)O ZINC000071973732 398171192 /nfs/dbraw/zinc/17/11/92/398171192.db2.gz GJUACORXYYKVOH-AAEUAGOBSA-N 0 0 236.311 2.179 10 0 BEAERN CCC(CC)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000040634455 168336410 /nfs/dbraw/zinc/33/64/10/168336410.db2.gz MOHUCFNJWQQFIE-AOOOYVTPSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(CC)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000002772243 168336466 /nfs/dbraw/zinc/33/64/66/168336466.db2.gz NSBOGLTVKWVWEY-NXEZZACHSA-N 0 0 213.321 2.058 10 0 BEAERN C[C@H]1[NH2+]CCC[C@]1(F)c1cncs1 ZINC000575517711 398177216 /nfs/dbraw/zinc/17/72/16/398177216.db2.gz HVRZXNDAOKXSKQ-VXNVDRBHSA-N 0 0 200.282 2.080 10 0 BEAERN Cc1cc(COc2ccccc2N)on1 ZINC000038056081 178051302 /nfs/dbraw/zinc/05/13/02/178051302.db2.gz JSDKPWWVOREMNQ-UHFFFAOYSA-N 0 0 204.229 2.144 10 0 BEAERN Cc1cc(CSc2ccncc2N)on1 ZINC000037190150 178052931 /nfs/dbraw/zinc/05/29/31/178052931.db2.gz SRYHCBWYBQRQMN-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(Cc2noc(C(C)(C)C)n2)nc(C)n1 ZINC000329595891 178060051 /nfs/dbraw/zinc/06/00/51/178060051.db2.gz VOGKOINLMUNOKD-UHFFFAOYSA-N 0 0 246.314 2.365 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616612322 349513501 /nfs/dbraw/zinc/51/35/01/349513501.db2.gz RKQBIAKUSLXHKF-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN Cc1cc(Cl)c2nccc(NN)c2c1 ZINC000032099657 178061909 /nfs/dbraw/zinc/06/19/09/178061909.db2.gz JQNVPHWZDIDSHJ-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN Cc1cc(Cl)ccc1C(=O)N(C)[C@@H](C)CO ZINC000126572706 178066516 /nfs/dbraw/zinc/06/65/16/178066516.db2.gz FNJRMBMLHMSJGI-VIFPVBQESA-N 0 0 241.718 2.101 10 0 BEAERN Cc1cc(Cl)ccc1N1CC[C@H](CO)C1 ZINC000011892894 178068044 /nfs/dbraw/zinc/06/80/44/178068044.db2.gz VLRSWNNWSCRJPG-JTQLQIEISA-N 0 0 225.719 2.467 10 0 BEAERN CC(C)[N@@H+]1CCC[C@@H](OC(F)(F)F)C1 ZINC000616617454 398182662 /nfs/dbraw/zinc/18/26/62/398182662.db2.gz YEDNTIQBUUIQSN-MRVPVSSYSA-N 0 0 211.227 2.396 10 0 BEAERN Cc1cc(Cl)ccc1OCC(N)=S ZINC000019506290 178069016 /nfs/dbraw/zinc/06/90/16/178069016.db2.gz IOXBZROZJTYGKZ-UHFFFAOYSA-N 0 0 215.705 2.313 10 0 BEAERN Cc1cc(Cl)cn2c([C@H](C)O)cnc12 ZINC000082693489 178069596 /nfs/dbraw/zinc/06/95/96/178069596.db2.gz RSGBULVLBCTABI-ZETCQYMHSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1cc(Cl)cn2c(CO)c(Cl)nc12 ZINC000082693400 178070420 /nfs/dbraw/zinc/07/04/20/178070420.db2.gz MHXCJXKDSOGGIB-UHFFFAOYSA-N 0 0 231.082 2.442 10 0 BEAERN Cc1cc(F)ccc1N[C@@H]1CCCCNC1=O ZINC000020054548 178090917 /nfs/dbraw/zinc/09/09/17/178090917.db2.gz UTGXVKZPELCPHD-GFCCVEGCSA-N 0 0 236.290 2.215 10 0 BEAERN Cc1cc(N(C)C)c(N)cc1Br ZINC000083224018 178093696 /nfs/dbraw/zinc/09/36/96/178093696.db2.gz MRPRDDNJPSGDPK-UHFFFAOYSA-N 0 0 229.121 2.406 10 0 BEAERN Cc1cc(N(C)C)c2cccc(C(=O)[O-])c2[nH+]1 ZINC000004226559 178095203 /nfs/dbraw/zinc/09/52/03/178095203.db2.gz XTDYQBJUAFHPSD-UHFFFAOYSA-N 0 0 230.267 2.307 10 0 BEAERN Cc1cc(N(C)CCC(F)(F)F)nnc1C ZINC000302262079 178098992 /nfs/dbraw/zinc/09/89/92/178098992.db2.gz DMOXKMRHBCLANC-UHFFFAOYSA-N 0 0 233.237 2.482 10 0 BEAERN Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ncn1 ZINC000301334561 178100851 /nfs/dbraw/zinc/10/08/51/178100851.db2.gz FVTKYTKFAJRFLG-RAIGVLPGSA-N 0 0 247.342 2.035 10 0 BEAERN Cc1cc(N)c(-n2nnnc2C(C)(C)C)cc1C ZINC000050439753 178101843 /nfs/dbraw/zinc/10/18/43/178101843.db2.gz OMDATLGVIKCOOT-UHFFFAOYSA-N 0 0 245.330 2.159 10 0 BEAERN Cc1cc(N)ccc1C(=O)N[C@H]1CC1(C)C ZINC000045115197 178104821 /nfs/dbraw/zinc/10/48/21/178104821.db2.gz WRXCBGDNQQIOPI-NSHDSACASA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cc(N)ccc1N1CCC[C@@H]1CCCO ZINC000052760081 178105200 /nfs/dbraw/zinc/10/52/00/178105200.db2.gz MOXNWTVNSGOPHO-CYBMUJFWSA-N 0 0 234.343 2.319 10 0 BEAERN Cc1cc(N)ccc1C(=O)NCC(C)(C)C ZINC000044748963 178105371 /nfs/dbraw/zinc/10/53/71/178105371.db2.gz PTWVDHNYQAYXHO-UHFFFAOYSA-N 0 0 220.316 2.353 10 0 BEAERN Cc1cc(N)ccc1N[C@@H]1CCCC[C@@H]1O ZINC000051998560 178106353 /nfs/dbraw/zinc/10/63/53/178106353.db2.gz HRHCTZKWWPUHPD-OLZOCXBDSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(N)ccc1NC[C@H]1CCCO1 ZINC000034978370 178107580 /nfs/dbraw/zinc/10/75/80/178107580.db2.gz TUGDXFWARZKVGS-LLVKDONJSA-N 0 0 206.289 2.168 10 0 BEAERN Cc1cc(N)ccc1Sc1nnnn1C1CC1 ZINC000036950309 178108140 /nfs/dbraw/zinc/10/81/40/178108140.db2.gz MAIWVESBKYAWRQ-UHFFFAOYSA-N 0 0 247.327 2.050 10 0 BEAERN Cc1cc(N)nc(Cc2cccs2)n1 ZINC000052901090 178109379 /nfs/dbraw/zinc/10/93/79/178109379.db2.gz QAXXEMLLHAJPQQ-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nccn(CC(C)C)c1=O ZINC000091729578 398202789 /nfs/dbraw/zinc/20/27/89/398202789.db2.gz CWQPDBJOGXWYRO-NEPJUHHUSA-N 0 0 249.358 2.500 10 0 BEAERN O[C@H](c1ccoc1Br)C1=COCC1 ZINC000306485801 398203887 /nfs/dbraw/zinc/20/38/87/398203887.db2.gz RRZKJAQRGGENDI-QMMMGPOBSA-N 0 0 245.072 2.380 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000616612364 349517428 /nfs/dbraw/zinc/51/74/28/349517428.db2.gz BQPOCOBMXWHTSX-SNVBAGLBSA-N 0 0 220.272 2.027 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)ccc1O ZINC000189668347 178145061 /nfs/dbraw/zinc/14/50/61/178145061.db2.gz NNKDNLYMVSBPEN-CMPLNLGQSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(NC(=O)c2cccc(N)c2C)on1 ZINC000019264446 178150407 /nfs/dbraw/zinc/15/04/07/178150407.db2.gz UZVACYTURGGLCZ-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2ccoc2)ccc1N ZINC000043569836 178150990 /nfs/dbraw/zinc/15/09/90/178150990.db2.gz FVHDCIAOHHYECA-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN Cc1cc(NCCCCCCO)nnc1C ZINC000302824348 178157974 /nfs/dbraw/zinc/15/79/74/178157974.db2.gz WQNBPJAEVMWUFK-UHFFFAOYSA-N 0 0 223.320 2.058 10 0 BEAERN Cc1cc(NCCC(=O)N(C)C)ccc1F ZINC000061097621 178158775 /nfs/dbraw/zinc/15/87/75/178158775.db2.gz SELFNLDMHAIYNP-UHFFFAOYSA-N 0 0 224.279 2.024 10 0 BEAERN Cc1cc(NC[C@@H]2CCCS2)nnc1C ZINC000302825524 178167100 /nfs/dbraw/zinc/16/71/00/178167100.db2.gz YZVSNFWOFLLGGN-JTQLQIEISA-N 0 0 223.345 2.401 10 0 BEAERN Cc1cc2ncnn2c(NC[C@H]2CCCCO2)c1 ZINC000042822593 178168552 /nfs/dbraw/zinc/16/85/52/178168552.db2.gz MNSVYMGMCUWRPS-LLVKDONJSA-N 0 0 246.314 2.019 10 0 BEAERN COC(=O)C1(Nc2ccc(Cl)cc2)CC1 ZINC000234549548 343985663 /nfs/dbraw/zinc/98/56/63/343985663.db2.gz LTJBDBPBZSHZJY-UHFFFAOYSA-N 0 0 225.675 2.458 10 0 BEAERN Cc1nn(C)c(C)c1/C=C/Br ZINC000606282695 538929750 /nfs/dbraw/zinc/92/97/50/538929750.db2.gz RABWBLABASXELJ-SNAWJCMRSA-N 0 0 215.094 2.403 10 0 BEAERN Cc1cc(N[C@H]2CCCC[C@H]2O)nc(Cl)n1 ZINC000052815088 178189102 /nfs/dbraw/zinc/18/91/02/178189102.db2.gz DPXFWWASAPSNOW-DTWKUNHWSA-N 0 0 241.722 2.154 10 0 BEAERN CCc1nn(C)cc1/C=C/Br ZINC000606282697 538929819 /nfs/dbraw/zinc/92/98/19/538929819.db2.gz RICQSUQONBGANW-SNAWJCMRSA-N 0 0 215.094 2.348 10 0 BEAERN Cc1cccc(CNc2cc(C)ncn2)n1 ZINC000051576876 178173110 /nfs/dbraw/zinc/17/31/10/178173110.db2.gz GEAACDCBGKJMJK-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN CC1CC(C2N=NC(=S)N2C2CC2)C1 ZINC000606278015 538930218 /nfs/dbraw/zinc/93/02/18/538930218.db2.gz DRIWRVRUVULRBD-UHFFFAOYSA-N 0 0 209.318 2.415 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@@H]2O)ccc1F ZINC000061097168 178188807 /nfs/dbraw/zinc/18/88/07/178188807.db2.gz NLJAVCYXXWFKKR-RYUDHWBXSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1cc(N[C@@H]2COc3ccccc32)ncn1 ZINC000070079341 178182279 /nfs/dbraw/zinc/18/22/79/178182279.db2.gz QDMXPEUVJJDMEM-LLVKDONJSA-N 0 0 227.267 2.331 10 0 BEAERN Cc1cc(O)c(Br)c(C=O)c1 ZINC000085344446 178193698 /nfs/dbraw/zinc/19/36/98/178193698.db2.gz ONCYGRGJVHUDRW-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN Cc1cc(Nc2cccc(N)c2)ncn1 ZINC000011849392 178193979 /nfs/dbraw/zinc/19/39/79/178193979.db2.gz CLYDFOVUEMHAHN-UHFFFAOYSA-N 0 0 200.245 2.111 10 0 BEAERN CC[C@H](C)n1cc(Br)c(N)n1 ZINC000020313655 538931341 /nfs/dbraw/zinc/93/13/41/538931341.db2.gz HNFQAJPOGZLIQK-YFKPBYRVSA-N 0 0 218.098 2.199 10 0 BEAERN Cc1cc(O)ccc1[C@H](N)C(F)(F)F ZINC000072194645 178200297 /nfs/dbraw/zinc/20/02/97/178200297.db2.gz NPSRABAAMIFYLX-QMMMGPOBSA-N 0 0 205.179 2.263 10 0 BEAERN Cc1cc(O)ccc1S(=O)(=O)C(C)(C)C ZINC000039474076 178200843 /nfs/dbraw/zinc/20/08/43/178200843.db2.gz AGSVEINSPIMIBU-UHFFFAOYSA-N 0 0 228.313 2.273 10 0 BEAERN Cc1cc(Oc2nccn2C)ccc1N ZINC000050606705 178215668 /nfs/dbraw/zinc/21/56/68/178215668.db2.gz KFXQLKUDXWNDNQ-UHFFFAOYSA-N 0 0 203.245 2.103 10 0 BEAERN Cc1cc(S(=O)(=O)N[C@@H](C)C(C)C)c(C)o1 ZINC000183041416 178216876 /nfs/dbraw/zinc/21/68/76/178216876.db2.gz JFOUYWKVFOFADP-VIFPVBQESA-N 0 0 245.344 2.219 10 0 BEAERN Cc1cc(Sc2ccncc2N)nc(C)n1 ZINC000050472061 178220214 /nfs/dbraw/zinc/22/02/14/178220214.db2.gz BUPZDPQPJDRMQI-UHFFFAOYSA-N 0 0 232.312 2.222 10 0 BEAERN O=C([O-])CC1([NH+]2CCCCCC2)CCC1 ZINC000070821345 361774606 /nfs/dbraw/zinc/77/46/06/361774606.db2.gz PWAQXHAYUBJTCW-UHFFFAOYSA-N 0 0 211.305 2.260 10 0 BEAERN Cc1nn(-c2cc(F)ncn2)c(C)c1Cl ZINC000150161145 349523065 /nfs/dbraw/zinc/52/30/65/349523065.db2.gz JSKHECCNBBFUKV-UHFFFAOYSA-N 0 0 226.642 2.072 10 0 BEAERN Cc1ccc(F)cc1-c1nc(N)ns1 ZINC000070839686 361781303 /nfs/dbraw/zinc/78/13/03/361781303.db2.gz OWRCRNRKVDYIGW-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Cc1cc([C@@H](O)C(F)(F)F)ccc1O ZINC000084723982 178237211 /nfs/dbraw/zinc/23/72/11/178237211.db2.gz AUBQXVRHSNMOLV-MRVPVSSYSA-N 0 0 206.163 2.296 10 0 BEAERN Cc1cc([C@H](C)[NH2+]CC(=O)[O-])c(C)s1 ZINC000036722758 178245106 /nfs/dbraw/zinc/24/51/06/178245106.db2.gz OSQUSAVFLAEFTK-ZETCQYMHSA-N 0 0 213.302 2.100 10 0 BEAERN C[C@H](O)c1csc(-c2ccccn2)n1 ZINC000070843671 361795324 /nfs/dbraw/zinc/79/53/24/361795324.db2.gz IAWOHYRBOZTNEJ-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN Cc1cc([C@H](N)C(F)(F)F)ccc1N ZINC000072191431 178261281 /nfs/dbraw/zinc/26/12/81/178261281.db2.gz FKZFLSJBVJPYAD-QMMMGPOBSA-N 0 0 204.195 2.139 10 0 BEAERN C/C=C/C(=O)NCc1cccc2c1CCCN2 ZINC000616570907 538938107 /nfs/dbraw/zinc/93/81/07/538938107.db2.gz HVGXQZGOVOCJFC-GORDUTHDSA-N 0 0 230.311 2.237 10 0 BEAERN Cc1cc([C@H](O)C(F)(F)F)ccc1O ZINC000084723980 178264569 /nfs/dbraw/zinc/26/45/69/178264569.db2.gz AUBQXVRHSNMOLV-QMMMGPOBSA-N 0 0 206.163 2.296 10 0 BEAERN CCC[C@H](CC)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000250154225 259308155 /nfs/dbraw/zinc/30/81/55/259308155.db2.gz MMPSIFZKGYXZHH-SDDRHHMPSA-N 0 0 242.363 2.432 10 0 BEAERN Cc1cc2[nH]nc(Br)c2cc1N ZINC000014985772 178276913 /nfs/dbraw/zinc/27/69/13/178276913.db2.gz QANHUNMOMXHWPX-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN Clc1cccc2c1[C@H](N[C@@H]1CCOC1)CO2 ZINC000367282782 398248874 /nfs/dbraw/zinc/24/88/74/398248874.db2.gz OHZJPAUQBCEHNX-PSASIEDQSA-N 0 0 239.702 2.152 10 0 BEAERN Cc1cc2nccc(-c3ccc(N)cc3)n2n1 ZINC000019836487 178303714 /nfs/dbraw/zinc/30/37/14/178303714.db2.gz OSALHNWHOVQWSR-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1cc2c(nc1Br)CN(C)C2 ZINC000082359363 178293295 /nfs/dbraw/zinc/29/32/95/178293295.db2.gz CTYYQNHYGOKVDA-UHFFFAOYSA-N 0 0 227.105 2.098 10 0 BEAERN Cc1cc2c3c(c1)CCC(=O)N3C[C@H]2C ZINC000039105052 178294552 /nfs/dbraw/zinc/29/45/52/178294552.db2.gz SGAFALLWLIRHFP-SECBINFHSA-N 0 0 201.269 2.391 10 0 BEAERN CCOC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000077051547 398252205 /nfs/dbraw/zinc/25/22/05/398252205.db2.gz SJGFAGDJJKISNM-XQRVVYSFSA-N 0 0 218.252 2.198 10 0 BEAERN CCC(CC)N(C)c1ccc(N)c2nonc21 ZINC000036788900 168368512 /nfs/dbraw/zinc/36/85/12/168368512.db2.gz BDHNPRICIPEPPT-UHFFFAOYSA-N 0 0 234.303 2.430 10 0 BEAERN Cc1ccc(-c2nnc(CNC3CC3)o2)cc1 ZINC000050616093 178341493 /nfs/dbraw/zinc/34/14/93/178341493.db2.gz NJDKXTCDHMXHSY-UHFFFAOYSA-N 0 0 229.283 2.297 10 0 BEAERN Cc1ccc(-n2c(=O)c(N)c(C(C)C)n2C)cc1 ZINC000036947721 178344950 /nfs/dbraw/zinc/34/49/50/178344950.db2.gz WXLLVAGVCIOVRR-UHFFFAOYSA-N 0 0 245.326 2.190 10 0 BEAERN Cc1ccc(-c2noc3nc[nH]c(=O)c23)cc1 ZINC000021779072 178345138 /nfs/dbraw/zinc/34/51/38/178345138.db2.gz YAGJLQQQWDDSKM-UHFFFAOYSA-N 0 0 227.223 2.299 10 0 BEAERN Cc1ccc(-n2ncc3c2ncnc3N)c(C)c1 ZINC000062208518 178349516 /nfs/dbraw/zinc/34/95/16/178349516.db2.gz VLXVHLDGHFSZHA-UHFFFAOYSA-N 0 0 239.282 2.015 10 0 BEAERN Cc1ccc(-c2nc([C@@H]3CCCO3)n[nH]2)cc1N ZINC000072236723 178331998 /nfs/dbraw/zinc/33/19/98/178331998.db2.gz CAUMFEHGHKZPCT-NSHDSACASA-N 0 0 244.298 2.214 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@H]2C[C@@H]2C)cc1O ZINC000104423959 178378223 /nfs/dbraw/zinc/37/82/23/178378223.db2.gz HMHIMZSXGJREBU-CMPLNLGQSA-N 0 0 233.311 2.429 10 0 BEAERN Cc1ccc(C(=O)N(C)c2ccccn2)cc1N ZINC000019812081 178381634 /nfs/dbraw/zinc/38/16/34/178381634.db2.gz DWMJFJAXDPNYLR-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CC(C)(C)CCn1nc(N)nc1Br ZINC000231802631 538952700 /nfs/dbraw/zinc/95/27/00/538952700.db2.gz NPVPKRXCVJNVQC-UHFFFAOYSA-N 0 0 247.140 2.059 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c(C)c1 ZINC000296201104 178388512 /nfs/dbraw/zinc/38/85/12/178388512.db2.gz VKIQVCMUYMSDPZ-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN COc1cccc2c1CC[C@@H](O)C2(C)C ZINC000259137100 349560775 /nfs/dbraw/zinc/56/07/75/349560775.db2.gz GHXSQTAUHWEGRC-GFCCVEGCSA-N 0 0 206.285 2.280 10 0 BEAERN Cc1ccc(C(=O)N2CC[C@@H](CCO)C2)cc1C ZINC000123012561 178395263 /nfs/dbraw/zinc/39/52/63/178395263.db2.gz RBHDNMSKXKCBDM-ZDUSSCGKSA-N 0 0 247.338 2.148 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000005543544 178398716 /nfs/dbraw/zinc/39/87/16/178398716.db2.gz RNJBEYWCUZHHLH-VXGBXAGGSA-N 0 0 233.311 2.244 10 0 BEAERN O[C@@H]1CCC[C@H](CN(CC(F)F)C2CC2)C1 ZINC000381644731 398267999 /nfs/dbraw/zinc/26/79/99/398267999.db2.gz QBSMQAZRFUJCNB-GXSJLCMTSA-N 0 0 233.302 2.267 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000179246117 538954718 /nfs/dbraw/zinc/95/47/18/538954718.db2.gz YJWRXYLBSNWICX-ZIAGYGMSSA-N 0 0 247.338 2.276 10 0 BEAERN CCC(CC)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179245168 538954863 /nfs/dbraw/zinc/95/48/63/538954863.db2.gz CTSBRWLVPDFCNL-QWHCGFSZSA-N 0 0 241.375 2.480 10 0 BEAERN CCc1cnc(-c2ncc(CO)s2)s1 ZINC000306644554 361835019 /nfs/dbraw/zinc/83/50/19/361835019.db2.gz ZYBKGGFLWMKHFU-UHFFFAOYSA-N 0 0 226.326 2.321 10 0 BEAERN COC(=O)N(C)c1nc2ccccc2s1 ZINC000000321269 342683402 /nfs/dbraw/zinc/68/34/02/342683402.db2.gz MYAANEHSZDNBBV-UHFFFAOYSA-N 0 0 222.269 2.499 10 0 BEAERN CC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406065311 538963085 /nfs/dbraw/zinc/96/30/85/538963085.db2.gz MTCNIFQLXQPXMR-SNVBAGLBSA-N 0 0 227.304 2.269 10 0 BEAERN COc1nc(N)ccc1-c1ccnc(C)c1 ZINC000166483090 361851249 /nfs/dbraw/zinc/85/12/49/361851249.db2.gz BLPWXVSWOZPSPY-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN CCC(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000406129001 538963318 /nfs/dbraw/zinc/96/33/18/538963318.db2.gz VYIYMRQCAMPDRL-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN CSc1nnc(S[C@H]2CCCO2)s1 ZINC000306650992 361855030 /nfs/dbraw/zinc/85/50/30/361855030.db2.gz FTGKWNANBCSJMZ-YFKPBYRVSA-N 0 0 234.371 2.489 10 0 BEAERN C=C(C(=O)OC)c1cccc2ccc(OC)nc21 ZINC000144160807 342702109 /nfs/dbraw/zinc/70/21/09/342702109.db2.gz HAKNKLCMHVXUQA-UHFFFAOYSA-N 0 0 243.262 2.430 10 0 BEAERN O=C1c2cccnc2-c2nccc3ccnc1c32 ZINC000000026774 398277248 /nfs/dbraw/zinc/27/72/48/398277248.db2.gz PBFIHLLASGHCTR-UHFFFAOYSA-N 0 0 233.230 2.236 10 0 BEAERN COCCC[C@H](C)C(=O)N[C@H](C)C(C)C ZINC000182191476 538962283 /nfs/dbraw/zinc/96/22/83/538962283.db2.gz JXCPZADJLZYYTR-WDEREUQCSA-N 0 0 215.337 2.210 10 0 BEAERN O=C(N[C@@H]1CCC(F)(F)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000309606588 342745659 /nfs/dbraw/zinc/74/56/59/342745659.db2.gz LJDJYEMMQHJPDS-UTINFBMNSA-N 0 0 229.270 2.337 10 0 BEAERN Nc1nnc(Nc2cccc(Cl)c2)o1 ZINC000216071891 342750445 /nfs/dbraw/zinc/75/04/45/342750445.db2.gz RWPCPBLYMXLUNQ-UHFFFAOYSA-N 0 0 210.624 2.049 10 0 BEAERN COC(=O)c1ccncc1-c1cccc(N)c1 ZINC000002524927 342722511 /nfs/dbraw/zinc/72/25/11/342722511.db2.gz ULEALRZDEYMHBC-UHFFFAOYSA-N 0 0 228.251 2.117 10 0 BEAERN CC(C)[C@@H](NN)c1ccc(Br)o1 ZINC000126842159 342733094 /nfs/dbraw/zinc/73/30/94/342733094.db2.gz NLVKWBOIJOOBLG-MRVPVSSYSA-N 0 0 233.109 2.203 10 0 BEAERN CCC[C@@H]1CCCCN1C(=O)[C@@H](C)COC ZINC000183067737 538965964 /nfs/dbraw/zinc/96/59/64/538965964.db2.gz SYAYIEBRGGSXCI-NWDGAFQWSA-N 0 0 227.348 2.450 10 0 BEAERN CCC(CC)NC(=O)c1cccc(F)c1N ZINC000054205904 168385750 /nfs/dbraw/zinc/38/57/50/168385750.db2.gz KHGRKUJQXQAXSP-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN C[C@H](Nc1ccc(N)cn1)c1ccncc1 ZINC000035693247 342755661 /nfs/dbraw/zinc/75/56/61/342755661.db2.gz QINSCMXKADTVSK-VIFPVBQESA-N 0 0 214.272 2.232 10 0 BEAERN c1[nH]c2cnccc2c1C1CCOCC1 ZINC000144983058 342757089 /nfs/dbraw/zinc/75/70/89/342757089.db2.gz QDDNBNOVKFAKJE-UHFFFAOYSA-N 0 0 202.257 2.457 10 0 BEAERN CC(C)c1ccc([C@@H]2CC(=O)N(C)C2=O)cc1 ZINC000005761631 342769755 /nfs/dbraw/zinc/76/97/55/342769755.db2.gz HXJLNZAWZFZUIZ-LBPRGKRZSA-N 0 0 231.295 2.282 10 0 BEAERN OCc1ccc(CCO[C@H]2CCCCO2)cc1 ZINC000146509453 342770584 /nfs/dbraw/zinc/77/05/84/342770584.db2.gz AZXGGSINADBUCO-AWEZNQCLSA-N 0 0 236.311 2.265 10 0 BEAERN CC(=O)OCC[C@H]1CC(=O)[C@H](C)C1(C)C ZINC000006037231 342772748 /nfs/dbraw/zinc/77/27/48/342772748.db2.gz ODBRWRPMELYFSQ-WPRPVWTQSA-N 0 0 212.289 2.191 10 0 BEAERN O=C1C=CC(=CN(O)c2ccccc2)C=C1 ZINC000006061491 342773330 /nfs/dbraw/zinc/77/33/30/342773330.db2.gz HHLWYELMGGGSSB-UHFFFAOYSA-N 0 0 213.236 2.461 10 0 BEAERN CS[C@H](C)C(=O)NCCC1CCCC1 ZINC000043013849 342785963 /nfs/dbraw/zinc/78/59/63/342785963.db2.gz KNZAAINOEAMLJE-SECBINFHSA-N 0 0 215.362 2.434 10 0 BEAERN C=Cc1cc(C(=O)OC)nn1Cc1ccccc1 ZINC000148003947 342786034 /nfs/dbraw/zinc/78/60/34/342786034.db2.gz JYQSHDGEQGZNSP-UHFFFAOYSA-N 0 0 242.278 2.361 10 0 BEAERN C[C@H]1C(=O)CCN1c1ccc(C#N)c(Cl)c1 ZINC000148146118 342788457 /nfs/dbraw/zinc/78/84/57/342788457.db2.gz COJFZYFWAHBONP-QMMMGPOBSA-N 0 0 234.686 2.379 10 0 BEAERN Cc1csc(SCC(=O)NC(C)(C)C)n1 ZINC000007195751 342789770 /nfs/dbraw/zinc/78/97/70/342789770.db2.gz NTZTXFLCSJXNBK-UHFFFAOYSA-N 0 0 244.385 2.458 10 0 BEAERN COc1cccc(/C=C/COC(C)=O)c1 ZINC000149708726 342794040 /nfs/dbraw/zinc/79/40/40/342794040.db2.gz VWXZESVXJLNHHK-GQCTYLIASA-N 0 0 206.241 2.272 10 0 BEAERN CC(=O)Cc1cc(C)ccc1NC(C)=O ZINC000149944445 342794673 /nfs/dbraw/zinc/79/46/73/342794673.db2.gz DRBHMPYALLGJSC-UHFFFAOYSA-N 0 0 205.257 2.085 10 0 BEAERN CCOC(=O)[C@H]1CC=C(c2ncccn2)CC1 ZINC000150037509 342795800 /nfs/dbraw/zinc/79/58/00/342795800.db2.gz KJRRIAHPHYNMSG-NSHDSACASA-N 0 0 232.283 2.223 10 0 BEAERN CNc1nc(C)cc(OCc2ccccc2)n1 ZINC000157529362 342796416 /nfs/dbraw/zinc/79/64/16/342796416.db2.gz WSDPALPUIZTWJL-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN CCc1cc(Nc2cccnc2)c(C)[nH]c1=O ZINC000035940319 342808789 /nfs/dbraw/zinc/80/87/89/342808789.db2.gz KLGYQVFUDABJLB-UHFFFAOYSA-N 0 0 229.283 2.384 10 0 BEAERN CCC(CC)N[C@H](CC(C)C)C(=O)OC ZINC000036980939 168392323 /nfs/dbraw/zinc/39/23/23/168392323.db2.gz PHYVSBSQVWATEK-LLVKDONJSA-N 0 0 215.337 2.352 10 0 BEAERN Cc1ccc(C(=O)OC(C)(C)C)cc1CO ZINC000299889350 178442921 /nfs/dbraw/zinc/44/29/21/178442921.db2.gz ICCCHNZGEBGGFY-UHFFFAOYSA-N 0 0 222.284 2.443 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000624673639 342817217 /nfs/dbraw/zinc/81/72/17/342817217.db2.gz MXOLQSOAXISXMI-RYUDHWBXSA-N 0 0 247.342 2.001 10 0 BEAERN C[C@H]1Oc2cc(F)c(Cl)cc2[C@H]1O ZINC000134396469 342822063 /nfs/dbraw/zinc/82/20/63/342822063.db2.gz YXWKEVMNAUHHJN-MOFOKWOHSA-N 0 0 202.612 2.293 10 0 BEAERN NN[C@H](c1ccsc1)c1ccccc1 ZINC000097486386 342805439 /nfs/dbraw/zinc/80/54/39/342805439.db2.gz YHDKIGWQJPKKRM-NSHDSACASA-N 0 0 204.298 2.301 10 0 BEAERN Cc1cccc(NC(=O)[C@@H]2CCCO[C@H]2C)c1O ZINC000189805437 538985552 /nfs/dbraw/zinc/98/55/52/538985552.db2.gz VPBOWLQYASTPLF-WDEREUQCSA-N 0 0 249.310 2.454 10 0 BEAERN COC(=O)[C@H]1O[C@@]1(C)c1c(F)cccc1Cl ZINC000380978388 538994013 /nfs/dbraw/zinc/99/40/13/538994013.db2.gz BWRVQENAEWTDJK-KOLCDFICSA-N 0 0 244.649 2.266 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000190199020 538987878 /nfs/dbraw/zinc/98/78/78/538987878.db2.gz LBJHYHZYYFVSNL-RYUDHWBXSA-N 0 0 225.332 2.204 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCCCC1 ZINC000190198987 538988041 /nfs/dbraw/zinc/98/80/41/538988041.db2.gz LBJHYHZYYFVSNL-NWDGAFQWSA-N 0 0 225.332 2.204 10 0 BEAERN CC1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000190410863 538989314 /nfs/dbraw/zinc/98/93/14/538989314.db2.gz KFGGFMNGGWGONH-NEPJUHHUSA-N 0 0 225.332 2.060 10 0 BEAERN CNS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000380506147 538990032 /nfs/dbraw/zinc/99/00/32/538990032.db2.gz IWHOITARRZSDLI-UHFFFAOYSA-N 0 0 241.356 2.033 10 0 BEAERN CCC(CC)CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000191285286 538991808 /nfs/dbraw/zinc/99/18/08/538991808.db2.gz YEKTZTOUGQANRN-PWSUYJOCSA-N 0 0 227.348 2.354 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CCCO[C@@H]1C)C1CC1 ZINC000191193689 538991917 /nfs/dbraw/zinc/99/19/17/538991917.db2.gz JCLWBBOLLCHTKX-ZYHUDNBSSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H](O)c1nc(-c2cccnc2)cs1 ZINC000071026562 361931519 /nfs/dbraw/zinc/93/15/19/361931519.db2.gz YGWXVOCIKUMQLZ-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN CCC1(NC(=O)[C@@H]2CCCO[C@@H]2C)CCC1 ZINC000188771769 538979693 /nfs/dbraw/zinc/97/96/93/538979693.db2.gz HENSIEAZDFHRIA-GHMZBOCLSA-N 0 0 225.332 2.250 10 0 BEAERN Cc1ccc(CNC(=O)c2cc(F)ccc2N)o1 ZINC000053035435 1172008606 /nfs/dbraw/zinc/00/86/06/1172008606.db2.gz GXNSYQFYCWCJAQ-UHFFFAOYSA-N 0 0 248.257 2.239 10 0 BEAERN CO[C@H]1CCCC[C@H]1n1cc(Cl)c(N)n1 ZINC000379905904 538981709 /nfs/dbraw/zinc/98/17/09/538981709.db2.gz IDUJAPQBMYBGDQ-BDAKNGLRSA-N 0 0 229.711 2.079 10 0 BEAERN Cc1ccc(Cn2cnnc2Cl)s1 ZINC000071054409 361938597 /nfs/dbraw/zinc/93/85/97/361938597.db2.gz NKUQCWJOSANUCV-UHFFFAOYSA-N 0 0 213.693 2.350 10 0 BEAERN COC(=O)[C@H]1O[C@]1(C)c1c(F)cccc1Cl ZINC000380978390 538993840 /nfs/dbraw/zinc/99/38/40/538993840.db2.gz BWRVQENAEWTDJK-MWLCHTKSSA-N 0 0 244.649 2.266 10 0 BEAERN Brc1nnc(-c2cscn2)s1 ZINC000071051758 361941424 /nfs/dbraw/zinc/94/14/24/361941424.db2.gz BQWKADUUEGZEBR-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN Clc1nnc([C@@H]2CCCCO2)s1 ZINC000071050889 361941674 /nfs/dbraw/zinc/94/16/74/361941674.db2.gz XSXOMYILIFTDBY-YFKPBYRVSA-N 0 0 204.682 2.433 10 0 BEAERN C[C@@H](CC(C)(C)c1ccccc1)S(N)(=O)=O ZINC000050350680 539010864 /nfs/dbraw/zinc/01/08/64/539010864.db2.gz DVRWEYGLORKFHL-JTQLQIEISA-N 0 0 241.356 2.031 10 0 BEAERN NS(=O)(=O)[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050350747 539010921 /nfs/dbraw/zinc/01/09/21/539010921.db2.gz XOWLZHYAXVBOAL-SNVBAGLBSA-N 0 0 245.731 2.080 10 0 BEAERN CCCO[C@@H]1[C@H](O)C[C@@H]1OCc1ccccc1 ZINC000233243661 342839291 /nfs/dbraw/zinc/83/92/91/342839291.db2.gz JIDAVNADRFAJNP-HZSPNIEDSA-N 0 0 236.311 2.132 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2c(c1)CCCN2 ZINC000052289760 539011961 /nfs/dbraw/zinc/01/19/61/539011961.db2.gz VBATYTCYUPLMDR-RNCFNFMXSA-N 0 0 230.311 2.183 10 0 BEAERN CCn1ncc(C=O)c1-c1ccccc1 ZINC000042188521 361964573 /nfs/dbraw/zinc/96/45/73/361964573.db2.gz UWTDIBATCVQGAR-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H](C)C2CCC2)n1 ZINC000381266344 538997315 /nfs/dbraw/zinc/99/73/15/538997315.db2.gz UFAKGKGNTMNBLL-ZETCQYMHSA-N 0 0 223.295 2.255 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@H]1C[C@H]12 ZINC000390387548 539021776 /nfs/dbraw/zinc/02/17/76/539021776.db2.gz FJYLITOTCJZCPR-LFSVMHDDSA-N 0 0 224.300 2.143 10 0 BEAERN COC(=O)C[C@H]1CSc2cc(O)ccc21 ZINC000144023633 361989528 /nfs/dbraw/zinc/98/95/28/361989528.db2.gz OVBBNSSEXWXZRS-ZETCQYMHSA-N 0 0 224.281 2.145 10 0 BEAERN Nc1ccc2c(c1)[nH]nc2C(F)(F)F ZINC000082382346 361987934 /nfs/dbraw/zinc/98/79/34/361987934.db2.gz QCNTXIWVDULHRZ-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN COC1(Cn2cc(Cl)c(N)n2)CCCC1 ZINC000709545872 539027518 /nfs/dbraw/zinc/02/75/18/539027518.db2.gz PNPSZXFSVOYFAD-UHFFFAOYSA-N 0 0 229.711 2.078 10 0 BEAERN CCCCCC(O)=C1COC(C)(C)C1=O ZINC000392787398 539028059 /nfs/dbraw/zinc/02/80/59/539028059.db2.gz BCCXSEVTUWLBPI-VIFPVBQESA-N 0 0 212.289 2.130 10 0 BEAERN C[C@H](Cn1cccc(N)c1=O)C(C)(C)C ZINC000710771916 539028115 /nfs/dbraw/zinc/02/81/15/539028115.db2.gz WZOSCUBQMXKHQJ-SECBINFHSA-N 0 0 208.305 2.113 10 0 BEAERN CCc1cc(NC(=O)c2cc(C3CC3)on2)n[nH]1 ZINC000134417907 342841147 /nfs/dbraw/zinc/84/11/47/342841147.db2.gz KHROXDBOKNKTEL-UHFFFAOYSA-N 0 0 246.270 2.090 10 0 BEAERN CC(=O)OCC(=O)c1ccc(Cl)cc1C ZINC000382701630 361977330 /nfs/dbraw/zinc/97/73/30/361977330.db2.gz OTQKGOYRBVNMCF-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN Nc1ccc(-c2cnn(C[C@@H]3CCOC3)c2)cc1 ZINC000071415086 361995616 /nfs/dbraw/zinc/99/56/16/361995616.db2.gz LYZXRVRQRDNNRU-NSHDSACASA-N 0 0 243.310 2.169 10 0 BEAERN Nc1ccc(-c2cnn(C[C@H]3CCOC3)c2)cc1 ZINC000071415087 361995678 /nfs/dbraw/zinc/99/56/78/361995678.db2.gz LYZXRVRQRDNNRU-LLVKDONJSA-N 0 0 243.310 2.169 10 0 BEAERN CCO[C@H]1CCCN(c2nsnc2Cl)C1 ZINC000042426483 361996986 /nfs/dbraw/zinc/99/69/86/361996986.db2.gz TZMDHDOIUTVCDG-ZETCQYMHSA-N 0 0 247.751 2.197 10 0 BEAERN CCO[C@@H]1CCCN(c2nsnc2Cl)C1 ZINC000042426482 361996990 /nfs/dbraw/zinc/99/69/90/361996990.db2.gz TZMDHDOIUTVCDG-SSDOTTSWSA-N 0 0 247.751 2.197 10 0 BEAERN CN(Cc1cccc(Cl)c1)C(N)=S ZINC000042437352 362001269 /nfs/dbraw/zinc/00/12/69/362001269.db2.gz USABKTNSLNFJIC-UHFFFAOYSA-N 0 0 214.721 2.015 10 0 BEAERN OCC[C@@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000308579093 342856091 /nfs/dbraw/zinc/85/60/91/342856091.db2.gz IWWUYJISNZDAJH-SECBINFHSA-N 0 0 236.098 2.396 10 0 BEAERN COC(=O)c1cccc2[nH]c3c(c21)C(=O)CCC3 ZINC000034511331 346868106 /nfs/dbraw/zinc/86/81/06/346868106.db2.gz YAQSQUUCVARXHF-UHFFFAOYSA-N 0 0 243.262 2.474 10 0 BEAERN CCc1nnc(NCc2cc[nH]c2)s1 ZINC000134427523 342853164 /nfs/dbraw/zinc/85/31/64/342853164.db2.gz YCKPEHHGGDCFQC-UHFFFAOYSA-N 0 0 208.290 2.041 10 0 BEAERN C[C@@H]1OCC[C@]1(O)CCc1ccsc1 ZINC000134441963 342854213 /nfs/dbraw/zinc/85/42/13/342854213.db2.gz OHXUAMFAHLSFOL-GXSJLCMTSA-N 0 0 212.314 2.221 10 0 BEAERN O=C1CSC[C@H]1Cc1cccc(F)c1 ZINC000134555654 342865677 /nfs/dbraw/zinc/86/56/77/342865677.db2.gz NIFVDEKDJAGMJH-SECBINFHSA-N 0 0 210.273 2.300 10 0 BEAERN CSCCCC(=O)NCc1nc(C)cs1 ZINC000134558229 342865830 /nfs/dbraw/zinc/86/58/30/342865830.db2.gz GHARTAWCLLKRIQ-UHFFFAOYSA-N 0 0 244.385 2.211 10 0 BEAERN O=C(CCC1CCCC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000077102471 398305972 /nfs/dbraw/zinc/30/59/72/398305972.db2.gz JACFKLSDMGJYPY-CHWSQXEVSA-N 0 0 239.359 2.377 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1 ZINC000077102505 398306284 /nfs/dbraw/zinc/30/62/84/398306284.db2.gz NJKWUBVKNJHNKM-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN C/C=C/C=C\C(=O)Nc1nccc(Cl)n1 ZINC000308775243 342870658 /nfs/dbraw/zinc/87/06/58/342870658.db2.gz UZRAUAHCTHWXMB-IAROGAJJSA-N 0 0 223.663 2.201 10 0 BEAERN Cc1cnc(Cl)nc1N[C@H]1CCO[C@@H]1C ZINC000134584547 342871206 /nfs/dbraw/zinc/87/12/06/342871206.db2.gz BMUNVKYCQZMCKC-SFYZADRCSA-N 0 0 227.695 2.028 10 0 BEAERN Cc1cc(N[C@H](C)C[C@@H](C)O)nc(Cl)n1 ZINC000165043111 342871978 /nfs/dbraw/zinc/87/19/78/342871978.db2.gz CTAQWHOROQDIID-HTRCEHHLSA-N 0 0 229.711 2.010 10 0 BEAERN CC(=O)OCC(=O)c1cc(F)ccc1Cl ZINC000308840941 342874123 /nfs/dbraw/zinc/87/41/23/342874123.db2.gz YRHZCEUYMZSWGY-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN Cc1ncsc1CC[C@@H]1CSC[C@H]1O ZINC000134656848 342875364 /nfs/dbraw/zinc/87/53/64/342875364.db2.gz WENZCRVEDTUVPD-RKDXNWHRSA-N 0 0 229.370 2.108 10 0 BEAERN COc1ccc(C(=O)CSC)cc1F ZINC000038064053 342875799 /nfs/dbraw/zinc/87/57/99/342875799.db2.gz CQYFLLJVFGKMJU-UHFFFAOYSA-N 0 0 214.261 2.380 10 0 BEAERN Cc1ccccc1C[C@@H]1CSC[C@@H]1O ZINC000134663889 342875838 /nfs/dbraw/zinc/87/58/38/342875838.db2.gz KWEWWXDNSSDPKU-NEPJUHHUSA-N 0 0 208.326 2.261 10 0 BEAERN CCc1nc2nc(Cl)c(C)c(Cl)n2n1 ZINC000229931628 342857255 /nfs/dbraw/zinc/85/72/55/342857255.db2.gz MGDDAHMLTSERDD-UHFFFAOYSA-N 0 0 231.086 2.302 10 0 BEAERN CCCN1C(=S)N=NC1[C@@H]1CC1(C)C ZINC000233369027 342859024 /nfs/dbraw/zinc/85/90/24/342859024.db2.gz KXCMTYRZVXVWGA-ZETCQYMHSA-N 0 0 211.334 2.490 10 0 BEAERN NN[C@@H](c1sccc1Cl)[C@H]1CCCO1 ZINC000229966423 342859589 /nfs/dbraw/zinc/85/95/89/342859589.db2.gz NQSDPQVUHLRBAT-HTQZYQBOSA-N 0 0 232.736 2.085 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000134828664 342895804 /nfs/dbraw/zinc/89/58/04/342895804.db2.gz QDPWJZWIAVRMET-MXWKQRLJSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H]1OCC[C@H]1N(C)c1cccc(Cl)n1 ZINC000134739170 342880953 /nfs/dbraw/zinc/88/09/53/342880953.db2.gz AWIFLMHBFAALSL-DTWKUNHWSA-N 0 0 226.707 2.349 10 0 BEAERN C[C@H]1OCC[C@@H]1N(C)c1nc(Cl)cs1 ZINC000165228368 342886820 /nfs/dbraw/zinc/88/68/20/342886820.db2.gz FZFUZQDBBYCBEY-RQJHMYQMSA-N 0 0 232.736 2.410 10 0 BEAERN CCOC(=O)c1cncc(OC(F)(F)F)c1 ZINC000309198378 342907637 /nfs/dbraw/zinc/90/76/37/342907637.db2.gz VXHDYQAROKFSBW-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN Nc1ncccc1NCC=C(Cl)Cl ZINC000407260314 342910379 /nfs/dbraw/zinc/91/03/79/342910379.db2.gz HJTWXLOTYBWSMF-UHFFFAOYSA-N 0 0 218.087 2.395 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178720010 534926554 /nfs/dbraw/zinc/92/65/54/534926554.db2.gz AGHKWZPGWVJXLU-BPNCWPANSA-N 0 0 247.338 2.053 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)c1cccnc1 ZINC000233953598 342911722 /nfs/dbraw/zinc/91/17/22/342911722.db2.gz OVMPLANLJZDFMI-QWRGUYRKSA-N 0 0 205.257 2.079 10 0 BEAERN Clc1c2c(nn1-c1ccncn1)CSC2 ZINC000134852018 342902328 /nfs/dbraw/zinc/90/23/28/342902328.db2.gz CWIYGKWFJWEYKL-UHFFFAOYSA-N 0 0 238.703 2.063 10 0 BEAERN C[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC[C@@H]1C(C)C ZINC000217778306 398323951 /nfs/dbraw/zinc/32/39/51/398323951.db2.gz DZSABYUNKXUJLX-HOSYDEDBSA-N 0 0 213.321 2.121 10 0 BEAERN Nc1c(C(F)(F)F)nc(Cl)[nH]c1=S ZINC000017313129 342923540 /nfs/dbraw/zinc/92/35/40/342923540.db2.gz XUIZNYGUGHXUJI-UHFFFAOYSA-N 0 0 229.614 2.020 10 0 BEAERN COC(=O)c1nc([C@H]2CCCO2)sc1C ZINC000167687988 346874872 /nfs/dbraw/zinc/87/48/72/346874872.db2.gz OCVYDNBKUXUTQX-SSDOTTSWSA-N 0 0 227.285 2.090 10 0 BEAERN COC(=O)c1ccc2ccc(F)cc2c1O ZINC000260058785 349639639 /nfs/dbraw/zinc/63/96/39/349639639.db2.gz FDRICDNZINRKHV-UHFFFAOYSA-N 0 0 220.199 2.471 10 0 BEAERN CC[C@@](C)(O)C(=O)c1cc(F)ccc1F ZINC000233960498 342914580 /nfs/dbraw/zinc/91/45/80/342914580.db2.gz XGBZVDCGFXSRFN-LLVKDONJSA-N 0 0 214.211 2.309 10 0 BEAERN CC[C@@](C)(O)[C@H](O)c1occc1Br ZINC000233965248 342914941 /nfs/dbraw/zinc/91/49/41/342914941.db2.gz YCSIBYKRDRLVME-RKDXNWHRSA-N 0 0 249.104 2.237 10 0 BEAERN CC[C@@]1(C)N(O)[C@H](C)C(c2ccccc2)=[N+]1[O-] ZINC000165348746 342920422 /nfs/dbraw/zinc/92/04/22/342920422.db2.gz YARVHMNOGFPZCR-MFKMUULPSA-N 0 0 235.307 2.097 10 0 BEAERN CCOC(=O)c1ccc2c(c1)OC(C)(C)O2 ZINC000114428883 344012106 /nfs/dbraw/zinc/01/21/06/344012106.db2.gz AYZJJLLPGTZFMB-UHFFFAOYSA-N 0 0 222.240 2.371 10 0 BEAERN C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC000247974827 398338034 /nfs/dbraw/zinc/33/80/34/398338034.db2.gz KLMIQMQPDMLBBK-SDNRWEOFSA-N 0 0 249.314 2.039 10 0 BEAERN CCc1ccc(N2CC[C@H](CO)C2)cc1 ZINC000011892820 398339067 /nfs/dbraw/zinc/33/90/67/398339067.db2.gz CVYDVXBCWLRIMY-LBPRGKRZSA-N 0 0 205.301 2.068 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075528606 178466793 /nfs/dbraw/zinc/46/67/93/178466793.db2.gz CXXOJERXYUKUJI-CMPLNLGQSA-N 0 0 203.285 2.442 10 0 BEAERN COC(=O)c1cc2nc(Cl)cnc2s1 ZINC000116879173 342938704 /nfs/dbraw/zinc/93/87/04/342938704.db2.gz NTVOWJRCRDQUTN-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN CC(C)CNC(=O)c1ccc2c(c1)CCN2 ZINC000019722394 342954431 /nfs/dbraw/zinc/95/44/31/342954431.db2.gz GVSOQQDZKHNMMG-UHFFFAOYSA-N 0 0 218.300 2.040 10 0 BEAERN Cc1ccc([C@H]2C=CS(=O)(=O)C2)c(C)c1 ZINC000040173766 342959142 /nfs/dbraw/zinc/95/91/42/342959142.db2.gz XERFMZZZNMSPLS-NSHDSACASA-N 0 0 222.309 2.329 10 0 BEAERN Nc1ccc(NCc2ccncc2)c(F)c1 ZINC000020135687 342971282 /nfs/dbraw/zinc/97/12/82/342971282.db2.gz RWVCVYLIGGWAGN-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN Nc1cccc2c1CN(c1ccccn1)C2 ZINC000019936726 342963651 /nfs/dbraw/zinc/96/36/51/342963651.db2.gz AQBWQDXBAHASJB-UHFFFAOYSA-N 0 0 211.268 2.184 10 0 BEAERN CC(C)CN1c2ccc(Cl)cc2[C@H](N)C1=O ZINC000019944163 342963912 /nfs/dbraw/zinc/96/39/12/342963912.db2.gz YJCKQKVDLLOZTR-NSHDSACASA-N 0 0 238.718 2.342 10 0 BEAERN COc1cc(O)cc(C)c1Br ZINC000034542110 346910139 /nfs/dbraw/zinc/91/01/39/346910139.db2.gz PVWBMFLLBACRJL-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CCC[C@H](NO)c1ccc(O)c(OC)c1 ZINC000308762433 346910343 /nfs/dbraw/zinc/91/03/43/346910343.db2.gz QCGFGMZITRAQIO-VIFPVBQESA-N 0 0 211.261 2.221 10 0 BEAERN Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC000020423940 342984831 /nfs/dbraw/zinc/98/48/31/342984831.db2.gz DVJYDMBFNPMEFB-UHFFFAOYSA-N 0 0 202.135 2.429 10 0 BEAERN CC(C)(C)[C@@H]1NS(=O)(=O)c2ccccc21 ZINC000036449226 343002614 /nfs/dbraw/zinc/00/26/14/343002614.db2.gz OHTMJLXKKSHARP-SNVBAGLBSA-N 0 0 225.313 2.066 10 0 BEAERN CC(=O)OC1=C[C@H](OC(C)=O)[C@H]2C[C@@H]1C2(C)C ZINC000036449570 343002698 /nfs/dbraw/zinc/00/26/98/343002698.db2.gz YFJDGZZRPOYOFP-VWYCJHECSA-N 0 0 238.283 2.041 10 0 BEAERN COC1CCN(c2ccc(F)cc2N)CC1 ZINC000037266280 536758213 /nfs/dbraw/zinc/75/82/13/536758213.db2.gz BOIZBNPFUSIDON-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN O=C(c1ccc2c[nH]nc2c1)N1CCCCC1 ZINC000021540973 343015163 /nfs/dbraw/zinc/01/51/63/343015163.db2.gz MSTCQNADZNJLEC-UHFFFAOYSA-N 0 0 229.283 2.189 10 0 BEAERN O=C1CCN2c3ccccc3CC[C@H]2C1 ZINC000011689360 343015486 /nfs/dbraw/zinc/01/54/86/343015486.db2.gz MYAIDKISTKRVSQ-NSHDSACASA-N 0 0 201.269 2.171 10 0 BEAERN CC(=O)COc1ccc(N2C(=O)N=NC2=O)cc1 ZINC000117849199 343020088 /nfs/dbraw/zinc/02/00/88/343020088.db2.gz SSCXRWJNRDCWGL-UHFFFAOYSA-N 0 0 247.210 2.167 10 0 BEAERN CCCOC(=O)Nc1ccc(N)cc1OC ZINC000117944089 343024241 /nfs/dbraw/zinc/02/42/41/343024241.db2.gz CTCQYRISNHDUHL-UHFFFAOYSA-N 0 0 224.260 2.236 10 0 BEAERN Cc1ccc(C)c(NCC(=O)NCC(C)C)c1 ZINC000020056032 178483721 /nfs/dbraw/zinc/48/37/21/178483721.db2.gz SEEAIYGVSHUJTQ-UHFFFAOYSA-N 0 0 234.343 2.488 10 0 BEAERN O=C(CO)N(c1ccccc1)C1CCCCC1 ZINC000021953023 343029711 /nfs/dbraw/zinc/02/97/11/343029711.db2.gz WRPNODPVJGWEEF-UHFFFAOYSA-N 0 0 233.311 2.345 10 0 BEAERN CCC[C@@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000113420467 346918160 /nfs/dbraw/zinc/91/81/60/346918160.db2.gz YDZHNONHNZCEGA-MRVPVSSYSA-N 0 0 209.293 2.347 10 0 BEAERN Cc1c(F)cccc1N1CN=NC1=S ZINC000043321452 343051238 /nfs/dbraw/zinc/05/12/38/343051238.db2.gz YPMIAXOGYFVOMW-UHFFFAOYSA-N 0 0 209.249 2.004 10 0 BEAERN CCSc1ncnc(NC)c1Br ZINC000233825819 343070133 /nfs/dbraw/zinc/07/01/33/343070133.db2.gz DQIXZTZSOATTMK-UHFFFAOYSA-N 0 0 248.149 2.393 10 0 BEAERN OCCCNc1ccc(F)cc1Br ZINC000043444139 343071322 /nfs/dbraw/zinc/07/13/22/343071322.db2.gz AEVMPZFIDDPTMG-UHFFFAOYSA-N 0 0 248.095 2.383 10 0 BEAERN OCCCNc1ccc(Cl)c(F)c1 ZINC000043444236 343071400 /nfs/dbraw/zinc/07/14/00/343071400.db2.gz GVPVDAJAUAWYCR-UHFFFAOYSA-N 0 0 203.644 2.273 10 0 BEAERN O=Cc1cnc2cnc(-c3ccc(F)cc3)cn12 ZINC000584880525 343081276 /nfs/dbraw/zinc/08/12/76/343081276.db2.gz CIYWZABCCOQEBQ-UHFFFAOYSA-N 0 0 241.225 2.348 10 0 BEAERN CCC(=C(N)N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000584880965 343081495 /nfs/dbraw/zinc/08/14/95/343081495.db2.gz TYWXIDDHXXORFL-RYUDHWBXSA-N 0 0 247.342 2.216 10 0 BEAERN O=S(=O)(c1ccncc1Cl)C(F)(F)F ZINC000584881056 343082011 /nfs/dbraw/zinc/08/20/11/343082011.db2.gz LGVAKDGUOFMZCC-UHFFFAOYSA-N 0 0 245.609 2.029 10 0 BEAERN CC(=O)c1cc2c(C)ccnc2nc1C ZINC000584881632 343082651 /nfs/dbraw/zinc/08/26/51/343082651.db2.gz YGHCVZTWIFSUKK-UHFFFAOYSA-N 0 0 200.241 2.449 10 0 BEAERN CCn1nc(-c2ncco2)cc1Br ZINC000584881752 343082886 /nfs/dbraw/zinc/08/28/86/343082886.db2.gz POTCBFUPEKIALO-UHFFFAOYSA-N 0 0 242.076 2.321 10 0 BEAERN [NH3+]Cc1c2nc(C3CC3)[nH]c2ccc1F ZINC000584881788 343082910 /nfs/dbraw/zinc/08/29/10/343082910.db2.gz QVYCGTJAJXWRMC-UHFFFAOYSA-N 0 0 205.236 2.038 10 0 BEAERN C[C@H](O)C(=O)c1cccc(Br)c1 ZINC000013534348 343092182 /nfs/dbraw/zinc/09/21/82/343092182.db2.gz ZDKJWZVXIFZSAL-LURJTMIESA-N 0 0 229.073 2.013 10 0 BEAERN CN[C@H](c1ccsn1)c1occc1C ZINC000306668319 362025356 /nfs/dbraw/zinc/02/53/56/362025356.db2.gz FPLSBTJJIRNHSM-SECBINFHSA-N 0 0 208.286 2.353 10 0 BEAERN CCNc1c(N)cnc2c(F)cc(C)cc21 ZINC000584882396 343084638 /nfs/dbraw/zinc/08/46/38/343084638.db2.gz FXKRSGQPMAOEMZ-UHFFFAOYSA-N 0 0 219.263 2.118 10 0 BEAERN CCOc1cccc2c1ncc(N)c2NC ZINC000584882894 343085484 /nfs/dbraw/zinc/08/54/84/343085484.db2.gz YYQGAOAZWOUBJP-UHFFFAOYSA-N 0 0 217.272 2.257 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCC1(C)C ZINC000408027339 133463678 /nfs/dbraw/zinc/46/36/78/133463678.db2.gz KOLJKZHPCFCAIF-DCAQKATOSA-N 0 0 240.347 2.042 10 0 BEAERN Nc1cnc2c(Cl)cc(F)cc2c1N ZINC000584882785 343085596 /nfs/dbraw/zinc/08/55/96/343085596.db2.gz RPIOQDQXQXOSNK-UHFFFAOYSA-N 0 0 211.627 2.192 10 0 BEAERN Nc1cnc2c(Br)cccc2c1N ZINC000584882728 343085639 /nfs/dbraw/zinc/08/56/39/343085639.db2.gz NVEZUMVLBQMEPT-UHFFFAOYSA-N 0 0 238.088 2.162 10 0 BEAERN CCNc1c(N)cnc2c(Cl)ccc(F)c21 ZINC000584882747 343085649 /nfs/dbraw/zinc/08/56/49/343085649.db2.gz OZEWXUSEUNCOLZ-UHFFFAOYSA-N 0 0 239.681 2.463 10 0 BEAERN CCOC(=O)[C@]1(C)N[C@@H](C)Cc2ccsc21 ZINC000584883795 343086845 /nfs/dbraw/zinc/08/68/45/343086845.db2.gz JVUNLQOUBXKWEJ-QPUJVOFHSA-N 0 0 239.340 2.061 10 0 BEAERN CN[C@@H](c1ccsn1)c1cnc(C)s1 ZINC000306669387 362032580 /nfs/dbraw/zinc/03/25/80/362032580.db2.gz GWBHNVMMPSWSPT-VIFPVBQESA-N 0 0 225.342 2.217 10 0 BEAERN COc1cccc(-c2n[nH]c(C(F)(F)F)n2)c1 ZINC000072236794 343074631 /nfs/dbraw/zinc/07/46/31/343074631.db2.gz XVZWZPIAIMQYDY-UHFFFAOYSA-N 0 0 243.188 2.499 10 0 BEAERN Nc1cnc2c(cnn2C2CCCC2)c1 ZINC000258121880 343076872 /nfs/dbraw/zinc/07/68/72/343076872.db2.gz POYMYAJZJRUAJY-UHFFFAOYSA-N 0 0 202.261 2.129 10 0 BEAERN Brc1c2c(nn1C1CC1)CCC2 ZINC000258320904 343077127 /nfs/dbraw/zinc/07/71/27/343077127.db2.gz TXBBEHODCMRULV-UHFFFAOYSA-N 0 0 227.105 2.469 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(cc(C)cc2C)N1 ZINC000261068802 343077350 /nfs/dbraw/zinc/07/73/50/343077350.db2.gz QZTWKPVLKJQBCT-LBPRGKRZSA-N 0 0 219.284 2.203 10 0 BEAERN C[C@@H](Cc1ccco1)n1cn[nH]c1=S ZINC000042591655 362012057 /nfs/dbraw/zinc/01/20/57/362012057.db2.gz KERDLOVZUSBKDM-ZETCQYMHSA-N 0 0 209.274 2.337 10 0 BEAERN CCn1cc(C(=O)c2ccsc2)cn1 ZINC000043468107 343078652 /nfs/dbraw/zinc/07/86/52/343078652.db2.gz HWPVWJROWKSFBP-UHFFFAOYSA-N 0 0 206.270 2.196 10 0 BEAERN Nc1cccc2c1C(=O)c1ccccc1C2 ZINC000013606499 343096625 /nfs/dbraw/zinc/09/66/25/343096625.db2.gz WFWJRJZWJONGIB-UHFFFAOYSA-N 0 0 209.248 2.404 10 0 BEAERN CCOC(OCC)C(=O)Cc1cccc(F)c1 ZINC000043504007 343101038 /nfs/dbraw/zinc/10/10/38/343101038.db2.gz VARDGSFMKBPUDE-UHFFFAOYSA-N 0 0 240.274 2.336 10 0 BEAERN CCC[C@H](C)C(=O)C(OCC)OCC ZINC000043504191 343101097 /nfs/dbraw/zinc/10/10/97/343101097.db2.gz GKUKDBFRWLZWMU-VIFPVBQESA-N 0 0 202.294 2.391 10 0 BEAERN COCC(=O)c1ccc(Cl)cc1OC ZINC000043504741 343101743 /nfs/dbraw/zinc/10/17/43/343101743.db2.gz AAEIOZNKLMGZIE-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN CSc1nc(Cc2cccc(C)c2)cc(=O)[nH]1 ZINC000013742887 343102709 /nfs/dbraw/zinc/10/27/09/343102709.db2.gz KRJUDOJQJGTRAG-UHFFFAOYSA-N 0 0 246.335 2.391 10 0 BEAERN O=C1C[C@@H](c2cccc3ccccc32)CN1 ZINC000013781781 343103463 /nfs/dbraw/zinc/10/34/63/343103463.db2.gz NFDWHRSBPFSPQO-LLVKDONJSA-N 0 0 211.264 2.443 10 0 BEAERN CCCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000013833081 343105178 /nfs/dbraw/zinc/10/51/78/343105178.db2.gz MUHGJKOMDOLETG-ZDUSSCGKSA-N 0 0 217.312 2.460 10 0 BEAERN Cc1cc(C)nc(N[C@]2(C)CCCOC2)n1 ZINC000309911663 343092739 /nfs/dbraw/zinc/09/27/39/343092739.db2.gz NBGLTXVZDIBMLJ-GFCCVEGCSA-N 0 0 221.304 2.074 10 0 BEAERN Cc1ccc(C)c([C@@H]([NH2+]C2CC2)C(=O)[O-])c1 ZINC000049670772 178496339 /nfs/dbraw/zinc/49/63/39/178496339.db2.gz TVDCUHPIWXANOU-GFCCVEGCSA-N 0 0 219.284 2.181 10 0 BEAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C2CC2)no1 ZINC000173461191 136270312 /nfs/dbraw/zinc/27/03/12/136270312.db2.gz DIDFKOLSKNMXBJ-JTQLQIEISA-N 0 0 249.314 2.267 10 0 BEAERN CC(=O)O[C@H]1COc2ccc3ncccc3c2C1 ZINC000144045298 343129601 /nfs/dbraw/zinc/12/96/01/343129601.db2.gz PKNXKUNYISAOEP-SNVBAGLBSA-N 0 0 243.262 2.101 10 0 BEAERN COC(=O)CCc1c[nH]nc1-c1ccccc1 ZINC000260439964 343131528 /nfs/dbraw/zinc/13/15/28/343131528.db2.gz QLUMDQDBGQSRDG-UHFFFAOYSA-N 0 0 230.267 2.182 10 0 BEAERN Clc1nccnc1OCc1ccco1 ZINC000043536579 343132778 /nfs/dbraw/zinc/13/27/78/343132778.db2.gz DXVKEZHWTCJCPP-UHFFFAOYSA-N 0 0 210.620 2.302 10 0 BEAERN COC(=O)CCSc1cccs1 ZINC000020431315 343140355 /nfs/dbraw/zinc/14/03/55/343140355.db2.gz KEKQDJDJTPUUMU-UHFFFAOYSA-N 0 0 202.300 2.403 10 0 BEAERN Cc1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)cc1 ZINC000094231414 343155513 /nfs/dbraw/zinc/15/55/13/343155513.db2.gz UGONMQFIYKOWRZ-SNVBAGLBSA-N 0 0 246.232 2.213 10 0 BEAERN C[C@H]1C[N@H+](CCCCCC(=O)[O-])CCS1 ZINC000123554388 343162827 /nfs/dbraw/zinc/16/28/27/343162827.db2.gz MJGAJIXOXPRFED-JTQLQIEISA-N 0 0 231.361 2.069 10 0 BEAERN CSCCOc1cnn(C(C)C)c1 ZINC000124887789 343165412 /nfs/dbraw/zinc/16/54/12/343165412.db2.gz CUUSVKMCBDQICO-UHFFFAOYSA-N 0 0 200.307 2.206 10 0 BEAERN Cc1cnc([C@H](C)Nc2cccnn2)s1 ZINC000125201015 343165960 /nfs/dbraw/zinc/16/59/60/343165960.db2.gz RSTRKZORDOOKSX-QMMMGPOBSA-N 0 0 220.301 2.415 10 0 BEAERN Cc1nc(C)n(-c2cc(Cl)nc(C3CC3)n2)n1 ZINC000126700257 343171220 /nfs/dbraw/zinc/17/12/20/343171220.db2.gz WTIUNTUMEIDFEI-UHFFFAOYSA-N 0 0 249.705 2.205 10 0 BEAERN CC(C)(C)[S@](=O)N[C@@H](C1CC1)C(F)(F)F ZINC000145402391 343171408 /nfs/dbraw/zinc/17/14/08/343171408.db2.gz WXRNWDHBHUQISH-NZFNHWASSA-N 0 0 243.294 2.379 10 0 BEAERN COc1c(N)ncnc1NCCC1CCCC1 ZINC000134834070 343196156 /nfs/dbraw/zinc/19/61/56/343196156.db2.gz RRKJNMQAAXUGST-UHFFFAOYSA-N 0 0 236.319 2.060 10 0 BEAERN COC[C@@H](C)CNc1cccc(CCCO)c1 ZINC000131914057 343186886 /nfs/dbraw/zinc/18/68/86/343186886.db2.gz ZMIGAAWYUZJCQN-LBPRGKRZSA-N 0 0 237.343 2.306 10 0 BEAERN CCOc1cc(C)[n+]([O-])c2ccccc12 ZINC000032197511 343230617 /nfs/dbraw/zinc/23/06/17/343230617.db2.gz RHKYBWQVBFZDPW-UHFFFAOYSA-N 0 0 203.241 2.180 10 0 BEAERN O=C(OCCc1ccccc1)c1cccnc1 ZINC000032181089 343230653 /nfs/dbraw/zinc/23/06/53/343230653.db2.gz BSTITMHKRRGVPH-UHFFFAOYSA-N 0 0 227.263 2.481 10 0 BEAERN Nc1cccc2c1CCCN2CCCF ZINC000088026316 136283742 /nfs/dbraw/zinc/28/37/42/136283742.db2.gz RAUCNQJVVMVDBJ-UHFFFAOYSA-N 0 0 208.280 2.381 10 0 BEAERN C/C=C/C[C@H](Cc1ccccc1)C(N)=O ZINC000238020245 343237872 /nfs/dbraw/zinc/23/78/72/343237872.db2.gz GNUHQRXHWQAVAC-QAVQXKDTSA-N 0 0 203.285 2.297 10 0 BEAERN CC(=O)c1cc(O)cc(Br)c1O ZINC000034146684 343265455 /nfs/dbraw/zinc/26/54/55/343265455.db2.gz MDDZTZFPYBVFKK-UHFFFAOYSA-N 0 0 231.045 2.063 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2ccc(CO)cc21 ZINC000034435592 343271196 /nfs/dbraw/zinc/27/11/96/343271196.db2.gz QWVIFVFHMWDQSA-UHFFFAOYSA-N 0 0 249.310 2.477 10 0 BEAERN CCOP(=O)(OCC)c1cccc(C=O)c1 ZINC000034483726 343272280 /nfs/dbraw/zinc/27/22/80/343272280.db2.gz GFGKYKRNTOHLSP-UHFFFAOYSA-N 0 0 242.211 2.391 10 0 BEAERN OCC1(COCc2ccccc2)CCC1 ZINC000034566144 343275070 /nfs/dbraw/zinc/27/50/70/343275070.db2.gz PBOGAIMGTSWVER-UHFFFAOYSA-N 0 0 206.285 2.366 10 0 BEAERN Cc1nc(C)c(I)nc1C ZINC000034742057 343277840 /nfs/dbraw/zinc/27/78/40/343277840.db2.gz IEBXFWLPWSCBPQ-UHFFFAOYSA-N 0 0 248.067 2.006 10 0 BEAERN CCc1cc(=O)[nH]c(-c2cccs2)n1 ZINC000036755160 343323506 /nfs/dbraw/zinc/32/35/06/343323506.db2.gz AULQSAFWAMSQKG-UHFFFAOYSA-N 0 0 206.270 2.061 10 0 BEAERN Cc1ccc(F)c(NCc2nccn2C)c1 ZINC000036804644 343324821 /nfs/dbraw/zinc/32/48/21/343324821.db2.gz GOKAHNUUKZUJDI-UHFFFAOYSA-N 0 0 219.263 2.480 10 0 BEAERN O=Cc1cnccc1Sc1ccccn1 ZINC000146407859 343297335 /nfs/dbraw/zinc/29/73/35/343297335.db2.gz RDCIMKWOIIOSNE-UHFFFAOYSA-N 0 0 216.265 2.440 10 0 BEAERN CC[C@](C)(O)[C@H](O)c1occc1Br ZINC000234088639 343332715 /nfs/dbraw/zinc/33/27/15/343332715.db2.gz YCSIBYKRDRLVME-BDAKNGLRSA-N 0 0 249.104 2.237 10 0 BEAERN CCCc1oc(-c2ccccc2)nc1O ZINC000139352733 343308855 /nfs/dbraw/zinc/30/88/55/343308855.db2.gz GBPGUHKFEYNKMQ-SNVBAGLBSA-N 0 0 203.241 2.159 10 0 BEAERN Cn1cc(-c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000147695609 343379019 /nfs/dbraw/zinc/37/90/19/343379019.db2.gz YWZPTWGFFFWIOC-UHFFFAOYSA-N 0 0 238.634 2.044 10 0 BEAERN CN(CC1CC1)c1nsnc1Cl ZINC000037926222 343361175 /nfs/dbraw/zinc/36/11/75/343361175.db2.gz GTNYMYJZRLWJFC-UHFFFAOYSA-N 0 0 203.698 2.038 10 0 BEAERN Cc1c2cc(Br)ncc2nn1C ZINC000220012195 343362315 /nfs/dbraw/zinc/36/23/15/343362315.db2.gz AOGJCMBECAUWJF-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN Cc1cnccc1[C@@H]1[NH2+]CCc2cc(O)ccc21 ZINC000038805229 343379249 /nfs/dbraw/zinc/37/92/49/343379249.db2.gz OOJUAVZVMJFJJV-HNNXBMFYSA-N 0 0 240.306 2.331 10 0 BEAERN [NH3+][C@@H](Cc1ccc2cc(Cl)ccc2c1)C(=O)[O-] ZINC000038814223 343379503 /nfs/dbraw/zinc/37/95/03/343379503.db2.gz BMOBTDFASSONGW-LBPRGKRZSA-N 0 0 249.697 2.448 10 0 BEAERN O=C(CCCO)Nc1ccc(Cl)cc1 ZINC000038339339 343374299 /nfs/dbraw/zinc/37/42/99/343374299.db2.gz UULSJYHWGPLOLW-UHFFFAOYSA-N 0 0 213.664 2.051 10 0 BEAERN Cc1ccc(C2=NNC(=N)S[C@@H]2C)cc1 ZINC000040537935 178513673 /nfs/dbraw/zinc/51/36/73/178513673.db2.gz HDBMBWFRZVVIOO-MRVPVSSYSA-N 0 0 219.313 2.149 10 0 BEAERN CCc1nn2c(c1Br)NC[C@H](C)C2 ZINC000234185966 343350746 /nfs/dbraw/zinc/35/07/46/343350746.db2.gz AFVCNZMCEHLGFK-LURJTMIESA-N 0 0 244.136 2.270 10 0 BEAERN COc1cc(C=O)cc(OC)c1OCC(F)F ZINC000037756029 343354361 /nfs/dbraw/zinc/35/43/61/343354361.db2.gz SZNSPJJPZPRCQY-UHFFFAOYSA-N 0 0 246.209 2.160 10 0 BEAERN CC[C@H]1OCC[C@@H]1c1nc(Cl)no1 ZINC000234106000 343354501 /nfs/dbraw/zinc/35/45/01/343354501.db2.gz QHPMRJYEJDOAMK-NTSWFWBYSA-N 0 0 202.641 2.006 10 0 BEAERN CC[C@H]1OCC[C@@H]1c1nnc(Br)o1 ZINC000234106549 343354694 /nfs/dbraw/zinc/35/46/94/343354694.db2.gz HRPCLLGLENCLHL-NTSWFWBYSA-N 0 0 247.092 2.115 10 0 BEAERN CCOc1cc(N)c(OCC)c(OC)c1 ZINC000039099790 343383664 /nfs/dbraw/zinc/38/36/64/343383664.db2.gz YGUSCTYHOKVXBV-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN CCc1c(C(=O)OC)sc2cccn21 ZINC000039101350 343384024 /nfs/dbraw/zinc/38/40/24/343384024.db2.gz BTVDHBWFTRMFHX-UHFFFAOYSA-N 0 0 209.270 2.350 10 0 BEAERN Cc1ccc2oc(S[C@@H](C)C(N)=O)nc2c1 ZINC000113777822 136322889 /nfs/dbraw/zinc/32/28/89/136322889.db2.gz KJKQTXUMWJIFSW-ZETCQYMHSA-N 0 0 236.296 2.102 10 0 BEAERN CCc1ccc(C(=O)c2c[nH]ccc2=O)cc1 ZINC000039102698 343384480 /nfs/dbraw/zinc/38/44/80/343384480.db2.gz XBWYVEWYBNCYGH-UHFFFAOYSA-N 0 0 227.263 2.168 10 0 BEAERN CCN(CC)CC(=O)c1ccc2c(c1)CCN2 ZINC000041619714 343422302 /nfs/dbraw/zinc/42/23/02/343422302.db2.gz FJZLNKYCDWWBLI-UHFFFAOYSA-N 0 0 232.327 2.179 10 0 BEAERN CC1(C)c2ccccc2N2C(=O)CC[C@H]21 ZINC000039105022 343385015 /nfs/dbraw/zinc/38/50/15/343385015.db2.gz YBJLRGLKQWXVSB-NSHDSACASA-N 0 0 201.269 2.473 10 0 BEAERN Cc1cncn1CCc1ccccc1N ZINC000039118770 343385336 /nfs/dbraw/zinc/38/53/36/343385336.db2.gz XZGRHBQKZBNAHS-UHFFFAOYSA-N 0 0 201.273 2.016 10 0 BEAERN CCc1ncc(Br)c(=S)[nH]1 ZINC000234122878 343424370 /nfs/dbraw/zinc/42/43/70/343424370.db2.gz BDDVAOWNVGZBRA-UHFFFAOYSA-N 0 0 219.107 2.090 10 0 BEAERN O=S1(=O)N=C(Cl)c2cc(Cl)ccc21 ZINC000039633632 343390994 /nfs/dbraw/zinc/39/09/94/343390994.db2.gz YRZUVYHRDDBWAA-UHFFFAOYSA-N 0 0 236.079 2.028 10 0 BEAERN CCOc1cc2c(c(C=O)c1)O[C@@H](C)C2 ZINC000039947658 343393756 /nfs/dbraw/zinc/39/37/56/343393756.db2.gz FKJFDKPQBHBNIH-QMMMGPOBSA-N 0 0 206.241 2.221 10 0 BEAERN CC(C)OC(=O)[C@@H](O)c1ccccc1Cl ZINC000166299364 343394299 /nfs/dbraw/zinc/39/42/99/343394299.db2.gz SHIQJYQOEUQWFR-JTQLQIEISA-N 0 0 228.675 2.325 10 0 BEAERN CCn1nc(C)c(N)c1-c1ccccc1 ZINC000149033945 343419716 /nfs/dbraw/zinc/41/97/16/343419716.db2.gz QBGOMUMAMZYYME-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN Cc1ccc(CCCC(=O)N(C)C)cc1 ZINC000044976557 178526971 /nfs/dbraw/zinc/52/69/71/178526971.db2.gz AICDYTIOJPQDDX-UHFFFAOYSA-N 0 0 205.301 2.406 10 0 BEAERN CCC1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000042338601 343434991 /nfs/dbraw/zinc/43/49/91/343434991.db2.gz NYXJGGIVVIYJIP-UHFFFAOYSA-N 0 0 221.304 2.108 10 0 BEAERN COc1c(F)ccc(N)c1Br ZINC000149752692 343449736 /nfs/dbraw/zinc/44/97/36/343449736.db2.gz DAIGBMXDFOPYFI-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CCC1CCC(NC(=O)N2CCCO2)CC1 ZINC000335888655 136358233 /nfs/dbraw/zinc/35/82/33/136358233.db2.gz WAEOFFIXROPKJH-UHFFFAOYSA-N 0 0 226.320 2.302 10 0 BEAERN C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408405471 133484193 /nfs/dbraw/zinc/48/41/93/133484193.db2.gz JOJIHTIEHBXRQD-RHYQMDGZSA-N 0 0 240.347 2.042 10 0 BEAERN O=Cc1ccc(C=O)c(OC(F)(F)F)c1 ZINC000616579741 343514303 /nfs/dbraw/zinc/51/43/03/343514303.db2.gz OCRIUDZFPBTRNJ-UHFFFAOYSA-N 0 0 218.130 2.210 10 0 BEAERN O=C1CCC(O)(c2ccc(F)cc2)CC1 ZINC000084323234 343529009 /nfs/dbraw/zinc/52/90/09/343529009.db2.gz JFJXHTCDSDMHPT-UHFFFAOYSA-N 0 0 208.232 2.156 10 0 BEAERN CC[C@@H]1CCN(C(=O)OC(C)(C)C)CCO1 ZINC000616664940 343533578 /nfs/dbraw/zinc/53/35/78/343533578.db2.gz XRWLSHGFIOJGAP-SNVBAGLBSA-N 0 0 229.320 2.422 10 0 BEAERN CCOc1cc2[nH]c3ccccc3n2n1 ZINC000045805587 343534368 /nfs/dbraw/zinc/53/43/68/343534368.db2.gz IMMPCZKLTIRFHY-UHFFFAOYSA-N 0 0 201.229 2.214 10 0 BEAERN CN1CCc2ccccc2[C@H]1c1ncccn1 ZINC000616678725 343536530 /nfs/dbraw/zinc/53/65/30/343536530.db2.gz DVBNJGJKVMMBCZ-ZDUSSCGKSA-N 0 0 225.295 2.054 10 0 BEAERN CC(=O)N1C[C@H](c2ccon2)Nc2ccccc21 ZINC000616691594 343538741 /nfs/dbraw/zinc/53/87/41/343538741.db2.gz NHNKJEYYPAADFV-GFCCVEGCSA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)(C)OC(=O)Nc1cc2n(n1)CCC2 ZINC000219962302 343576296 /nfs/dbraw/zinc/57/62/96/343576296.db2.gz IWOWAGGYGQLSPM-UHFFFAOYSA-N 0 0 223.276 2.176 10 0 BEAERN Nc1cc(Cl)ccc1O[C@@H]1CC[C@@H](O)C1 ZINC000203993089 343553596 /nfs/dbraw/zinc/55/35/96/343553596.db2.gz VDVPKUCZXPCBJE-RKDXNWHRSA-N 0 0 227.691 2.214 10 0 BEAERN CCOC(=O)C1CCC(c2ncccn2)CC1 ZINC000165964109 343562788 /nfs/dbraw/zinc/56/27/88/343562788.db2.gz FDNHRQKXGXGRNI-UHFFFAOYSA-N 0 0 234.299 2.314 10 0 BEAERN COCCCOc1cc([C@H](C)O)ccc1F ZINC000204334881 343564551 /nfs/dbraw/zinc/56/45/51/343564551.db2.gz OKJDLGPVNXJSCF-VIFPVBQESA-N 0 0 228.263 2.294 10 0 BEAERN CC(C)(C)C(=O)Cn1c2ccccc2oc1=O ZINC000047819174 343565515 /nfs/dbraw/zinc/56/55/15/343565515.db2.gz PZYHOTPOTAFMPK-UHFFFAOYSA-N 0 0 233.267 2.210 10 0 BEAERN Nc1ncc(C2CC2)cc1Br ZINC000096134537 343566327 /nfs/dbraw/zinc/56/63/27/343566327.db2.gz FPWVOUBYJGNSQT-UHFFFAOYSA-N 0 0 213.078 2.304 10 0 BEAERN COc1ccc([C@H](C)NC(C)=O)c(F)c1 ZINC000379643375 343587433 /nfs/dbraw/zinc/58/74/33/343587433.db2.gz NQOLOUMOXYYION-ZETCQYMHSA-N 0 0 211.236 2.031 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC1CCC2(CC2)CC1 ZINC000335863462 344034874 /nfs/dbraw/zinc/03/48/74/344034874.db2.gz QCJSRZITBHKKKE-KOLCDFICSA-N 0 0 222.332 2.417 10 0 BEAERN COc1cc(-c2nc[nH]n2)cc(C(F)(F)F)c1 ZINC000205189710 343619093 /nfs/dbraw/zinc/61/90/93/343619093.db2.gz RZNOQMNFMSUNQJ-UHFFFAOYSA-N 0 0 243.188 2.499 10 0 BEAERN C[C@]1(c2ccccc2)CCC(=O)CC1=O ZINC000168833031 343621540 /nfs/dbraw/zinc/62/15/40/343621540.db2.gz HQURQZNOZPXYME-CYBMUJFWSA-N 0 0 202.253 2.266 10 0 BEAERN Cc1cc(OC[C@H]2COC(C)(C)O2)ccc1N ZINC000166434676 343603953 /nfs/dbraw/zinc/60/39/53/343603953.db2.gz XGSUSXRRBLOMCM-NSHDSACASA-N 0 0 237.299 2.108 10 0 BEAERN CNC(=O)CCCC(=O)c1ccc(C)cc1 ZINC000049817152 343606037 /nfs/dbraw/zinc/60/60/37/343606037.db2.gz YWEGOEDUAQMLHJ-UHFFFAOYSA-N 0 0 219.284 2.094 10 0 BEAERN CCC(=O)CN1CCc2sccc2C1 ZINC000050180197 343610450 /nfs/dbraw/zinc/61/04/50/343610450.db2.gz MCGQOBDOLOJRCD-UHFFFAOYSA-N 0 0 209.314 2.085 10 0 BEAERN COc1ccccc1[C@@H]1CO[C@@H](OC)C1 ZINC000205603260 343635624 /nfs/dbraw/zinc/63/56/24/343635624.db2.gz CZWDESZFWMXOAK-JOYOIKCWSA-N 0 0 208.257 2.172 10 0 BEAERN CC[C@@H](O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000036099412 343635988 /nfs/dbraw/zinc/63/59/88/343635988.db2.gz PLAOBQVNCROFAE-GFCCVEGCSA-N 0 0 225.357 2.483 10 0 BEAERN CCOC(=O)C1=C(O)CCC(F)(F)C1 ZINC000205613080 343636830 /nfs/dbraw/zinc/63/68/30/343636830.db2.gz YDAYTGNZSASZHI-UHFFFAOYSA-N 0 0 206.188 2.181 10 0 BEAERN CCn1cnnc1-c1sc(C)nc1C ZINC000234197403 343647741 /nfs/dbraw/zinc/64/77/41/343647741.db2.gz IPMOIIONCCCRSN-UHFFFAOYSA-N 0 0 208.290 2.038 10 0 BEAERN O=c1[nH]c(-c2ccc(F)cc2)cn2cccc12 ZINC000205293434 343622273 /nfs/dbraw/zinc/62/22/73/343622273.db2.gz PJFSZGGSEMOYOI-UHFFFAOYSA-N 0 0 228.226 2.434 10 0 BEAERN NNc1ccnc2c(F)c(Cl)ccc12 ZINC000051151993 343622897 /nfs/dbraw/zinc/62/28/97/343622897.db2.gz MTNNNPLRTIOBRM-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN O=C(Cc1ccc(O)cc1)OCc1ccoc1 ZINC000196406422 343631037 /nfs/dbraw/zinc/63/10/37/343631037.db2.gz ITXYTYBMWKZNMJ-UHFFFAOYSA-N 0 0 232.235 2.271 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCC[C@H]2C ZINC000300028218 537801497 /nfs/dbraw/zinc/80/14/97/537801497.db2.gz MNILIKVOUXKIND-QNSHHTMESA-N 0 0 218.680 2.074 10 0 BEAERN CC[C@@H]1CC[C@@]2(C1)O[C@]2(Cl)C(=O)OC ZINC000300033128 537801790 /nfs/dbraw/zinc/80/17/90/537801790.db2.gz WPGCOQAXCKFZHO-FKTZTGRPSA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)OC12C[C@@H](C)C[C@H](C)C2 ZINC000300033551 537801837 /nfs/dbraw/zinc/80/18/37/537801837.db2.gz XMZVUWNDONRARP-LAEOZQHASA-N 0 0 232.707 2.320 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@@H](C)CC[C@H]2C ZINC000300029221 537801902 /nfs/dbraw/zinc/80/19/02/537801902.db2.gz OICVUWWHSSDCBR-OEIWMXHLSA-N 0 0 232.707 2.320 10 0 BEAERN CC(C)n1ccc(CN2[C@@H](C)COC[C@@H]2C)n1 ZINC000077366787 343690493 /nfs/dbraw/zinc/69/04/93/343690493.db2.gz ZQZXBCZEVIHVNN-RYUDHWBXSA-N 0 0 237.347 2.073 10 0 BEAERN c1csc(-c2nnc(CC3CC3)[nH]2)c1 ZINC000054700103 343697640 /nfs/dbraw/zinc/69/76/40/343697640.db2.gz LTLZTHNXGZRZFV-UHFFFAOYSA-N 0 0 205.286 2.486 10 0 BEAERN CSCCCCC(=O)N[C@H]1C[C@H]1C ZINC000120980291 537804809 /nfs/dbraw/zinc/80/48/09/537804809.db2.gz DEDNNTHXWJMAEH-BDAKNGLRSA-N 0 0 201.335 2.044 10 0 BEAERN C[C@H]1SCC[C@]1(O)Cc1ccccc1 ZINC000107149898 343706668 /nfs/dbraw/zinc/70/66/68/343706668.db2.gz DUXWLRMHMNZCFH-PWSUYJOCSA-N 0 0 208.326 2.486 10 0 BEAERN Cc1nc(-c2cccc[n+]2[O-])sc1C ZINC000616216467 343683721 /nfs/dbraw/zinc/68/37/21/343683721.db2.gz YQDUWXNDDKVNIV-UHFFFAOYSA-N 0 0 206.270 2.060 10 0 BEAERN Cc1cc2n(n1)[C@H]([C@H]1CC[C@H](C)O1)CCN2 ZINC000300016574 537802740 /nfs/dbraw/zinc/80/27/40/537802740.db2.gz NKANFZHUUQPZJB-GARJFASQSA-N 0 0 221.304 2.116 10 0 BEAERN COc1ccc(Cl)c(C(=O)COC(C)=O)c1 ZINC000309524803 343686844 /nfs/dbraw/zinc/68/68/44/343686844.db2.gz ZHFBGIPQMXQTQL-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN NNc1ccnc2c(F)cc(Cl)cc12 ZINC000051151979 346963041 /nfs/dbraw/zinc/96/30/41/346963041.db2.gz VTSRGNLKDWHZOW-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN c1ccc(N2CCN([C@H]3CCCCO3)CC2)cc1 ZINC000166688478 343720538 /nfs/dbraw/zinc/72/05/38/343720538.db2.gz DRFHLFBXSHZAKA-OAHLLOKOSA-N 0 0 246.354 2.335 10 0 BEAERN CC(C)CCn1c2c(c(=S)[nH]c1=O)CCC2 ZINC000008737588 343771375 /nfs/dbraw/zinc/77/13/75/343771375.db2.gz ZHSQNDGCBDOREQ-UHFFFAOYSA-N 0 0 238.356 2.441 10 0 BEAERN CC(C)Cn1c2c(c(=S)[nH]c1=O)CCC2 ZINC000008737543 343771873 /nfs/dbraw/zinc/77/18/73/343771873.db2.gz GYSVXLLGVKQSAK-UHFFFAOYSA-N 0 0 224.329 2.051 10 0 BEAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cccs1 ZINC000177932962 229519477 /nfs/dbraw/zinc/51/94/77/229519477.db2.gz OUCVSGFAVMBUPY-KXUCPTDWSA-N 0 0 239.340 2.493 10 0 BEAERN Fc1ccc(F)c([C@H]2NCCS2)c1 ZINC000050522890 343782518 /nfs/dbraw/zinc/78/25/18/343782518.db2.gz SCKGWYLNRADUMP-VIFPVBQESA-N 0 0 201.241 2.300 10 0 BEAERN Nc1ccc(N2Cc3ccccc3C2)nc1 ZINC000050910867 343783444 /nfs/dbraw/zinc/78/34/44/343783444.db2.gz CXASKOVKELMAQT-UHFFFAOYSA-N 0 0 211.268 2.184 10 0 BEAERN O=c1cc(C2CCCC2)nc(C2CC2)[nH]1 ZINC000125430236 343786690 /nfs/dbraw/zinc/78/66/90/343786690.db2.gz VRZROZSRAQHMGY-UHFFFAOYSA-N 0 0 204.273 2.305 10 0 BEAERN OCCCc1cnn(CC2CCCCC2)c1 ZINC000309510383 343790736 /nfs/dbraw/zinc/79/07/36/343790736.db2.gz PCQUAUZIERMXLY-UHFFFAOYSA-N 0 0 222.332 2.388 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCC[C@H](C(C)C)C2 ZINC000300235548 537814594 /nfs/dbraw/zinc/81/45/94/537814594.db2.gz CCKXHDJBYXNPNK-NHCYSSNCSA-N 0 0 212.289 2.143 10 0 BEAERN C[C@@H](C(=O)C1CCC1)C(=O)C(F)(F)F ZINC000323918262 537814772 /nfs/dbraw/zinc/81/47/72/537814772.db2.gz ZKOGSLMLDYQATG-YFKPBYRVSA-N 0 0 208.179 2.123 10 0 BEAERN COC[C@@H]1CCCN(c2ccccc2N)C1 ZINC000234807508 343794677 /nfs/dbraw/zinc/79/46/77/343794677.db2.gz OFLCTIJHCFCHKA-LLVKDONJSA-N 0 0 220.316 2.132 10 0 BEAERN Nc1ccccc1N1CCOC[C@H]2CCC[C@@H]21 ZINC000409426555 343798382 /nfs/dbraw/zinc/79/83/82/343798382.db2.gz FKXKHBQBCPRPOD-YPMHNXCESA-N 0 0 232.327 2.274 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000409427155 343800118 /nfs/dbraw/zinc/80/01/18/343800118.db2.gz HREFKYSMHFBDLD-VXGBXAGGSA-N 0 0 234.299 2.082 10 0 BEAERN CN(c1nccnc1Cl)C1CCSCC1 ZINC000403793939 343812059 /nfs/dbraw/zinc/81/20/59/343812059.db2.gz WAIYQEYYTBDOTI-UHFFFAOYSA-N 0 0 243.763 2.462 10 0 BEAERN C[C@@H]1C[C@H](n2cc(CO)nn2)CC(C)(C)C1 ZINC000409422322 343813220 /nfs/dbraw/zinc/81/32/20/343813220.db2.gz CLXWPXUJXFBJJU-KOLCDFICSA-N 0 0 223.320 2.158 10 0 BEAERN Nc1cc[nH+]c(Nc2cccc(C(=O)[O-])c2)c1 ZINC000409422507 343813945 /nfs/dbraw/zinc/81/39/45/343813945.db2.gz HNJPCKXNRPKGJO-UHFFFAOYSA-N 0 0 229.239 2.106 10 0 BEAERN Cc1cc2nc(Cl)[nH]c(=O)c2cc1C ZINC000238517698 537820635 /nfs/dbraw/zinc/82/06/35/537820635.db2.gz XIQOMAKGPUSTNA-UHFFFAOYSA-N 0 0 208.648 2.193 10 0 BEAERN O=C([O-])C1CCC([N@@H+]2CCC[C@H](F)C2)CC1 ZINC000409423177 343814937 /nfs/dbraw/zinc/81/49/37/343814937.db2.gz LUDRXVPRPNOXEU-YVNMAJEFSA-N 0 0 229.295 2.064 10 0 BEAERN O=Cc1cc2n(n1)C[C@@H](c1ccsc1)OC2 ZINC000409426138 343821356 /nfs/dbraw/zinc/82/13/56/343821356.db2.gz DCZIBOGWJDYYNC-NSHDSACASA-N 0 0 234.280 2.029 10 0 BEAERN O=c1ccc(N2CCC[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000409426196 343821777 /nfs/dbraw/zinc/82/17/77/343821777.db2.gz DQHRMRMVTSQGIQ-MNOVXSKESA-N 0 0 233.315 2.341 10 0 BEAERN C[C@H](c1ccccc1)c1cc(=O)[nH]cn1 ZINC000409431565 343824129 /nfs/dbraw/zinc/82/41/29/343824129.db2.gz RFUQYHXUTMHSBF-SECBINFHSA-N 0 0 200.241 2.334 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCCCC(C)(C)CO ZINC000345036349 343824963 /nfs/dbraw/zinc/82/49/63/343824963.db2.gz XXTRRIWCYVZQEJ-NEPJUHHUSA-N 0 0 241.375 2.338 10 0 BEAERN CC[C@@H](c1ccccc1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000409430178 343807655 /nfs/dbraw/zinc/80/76/55/343807655.db2.gz LTSYNACVEWMOJI-JTQLQIEISA-N 0 0 230.267 2.430 10 0 BEAERN COC[C@H]1CC(F)(F)CN1c1ccccc1N ZINC000409430862 343809200 /nfs/dbraw/zinc/80/92/00/343809200.db2.gz JGCPEDCVAJFZKS-SECBINFHSA-N 0 0 242.269 2.129 10 0 BEAERN Cc1nn(C)c2nc(C(C)(C)C)cc(CO)c12 ZINC000409441218 343855631 /nfs/dbraw/zinc/85/56/31/343855631.db2.gz NYGOSZHUKVVJOU-UHFFFAOYSA-N 0 0 233.315 2.067 10 0 BEAERN Nc1cccnc1N1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409433744 343830262 /nfs/dbraw/zinc/83/02/62/343830262.db2.gz ZCSMUFVXFITLGW-BDAKNGLRSA-N 0 0 239.269 2.145 10 0 BEAERN COc1nn(C)cc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000336697222 537826791 /nfs/dbraw/zinc/82/67/91/537826791.db2.gz MFONAFWFLSEHCD-NXEZZACHSA-N 0 0 221.304 2.029 10 0 BEAERN Nc1cccnc1N(C1CC1)[C@@H]1CCSC1 ZINC000409435559 343834510 /nfs/dbraw/zinc/83/45/10/343834510.db2.gz VKSUYBHDGHXHDG-SNVBAGLBSA-N 0 0 235.356 2.138 10 0 BEAERN Cc1ccc([C@H](NN)c2cccs2)o1 ZINC000128593245 349877060 /nfs/dbraw/zinc/87/70/60/349877060.db2.gz FOZBEZCNGGJXJS-JTQLQIEISA-N 0 0 208.286 2.202 10 0 BEAERN CCc1cc2n(CC3CCC3)ccn2n1 ZINC000409438550 343844826 /nfs/dbraw/zinc/84/48/26/343844826.db2.gz LUCYRRKWBZGCKU-UHFFFAOYSA-N 0 0 203.289 2.498 10 0 BEAERN O=c1[nH]c(-c2ccccc2F)cc(=S)[nH]1 ZINC000409438914 343845930 /nfs/dbraw/zinc/84/59/30/343845930.db2.gz PLOYZDCBCFDTCJ-UHFFFAOYSA-N 0 0 222.244 2.277 10 0 BEAERN CCn1nc(-c2ccncc2)c2c1CCOC2 ZINC000409438887 343846131 /nfs/dbraw/zinc/84/61/31/343846131.db2.gz MVQKFBYCZLFTCR-UHFFFAOYSA-N 0 0 229.283 2.038 10 0 BEAERN NCc1noc([C@H](C2CCCC2)n2cccc2)n1 ZINC000409439220 343847046 /nfs/dbraw/zinc/84/70/46/343847046.db2.gz GDBGHZREJXTMTM-LBPRGKRZSA-N 0 0 246.314 2.109 10 0 BEAERN CCn1c(=O)[nH]c(=S)cc1-c1ccccc1 ZINC000409439518 343847423 /nfs/dbraw/zinc/84/74/23/343847423.db2.gz RSVWKTSJNLAAIC-UHFFFAOYSA-N 0 0 232.308 2.219 10 0 BEAERN OCn1nc(-c2cccs2)cc1C1CC1 ZINC000409437962 343849417 /nfs/dbraw/zinc/84/94/17/343849417.db2.gz BGDMPRKFIUYHFD-UHFFFAOYSA-N 0 0 220.297 2.439 10 0 BEAERN C[C@@H](O)[C@@H](O)c1cccc(Br)c1F ZINC000235243540 343881821 /nfs/dbraw/zinc/88/18/21/343881821.db2.gz RDRYCQHDILJTET-MLUIRONXSA-N 0 0 249.079 2.002 10 0 BEAERN Clc1nnc(CC2CCSCC2)o1 ZINC000157801372 343884337 /nfs/dbraw/zinc/88/43/37/343884337.db2.gz VZJSDQCMXPOLEB-UHFFFAOYSA-N 0 0 218.709 2.409 10 0 BEAERN O=Cc1cn(CC2CC2)nc1C(F)(F)F ZINC000409441488 343859426 /nfs/dbraw/zinc/85/94/26/343859426.db2.gz YMOLPLIEWRFREC-UHFFFAOYSA-N 0 0 218.178 2.124 10 0 BEAERN CCc1[nH]nc(-c2ccco2)c1C(=O)OC ZINC000409441681 343860728 /nfs/dbraw/zinc/86/07/28/343860728.db2.gz SOFUPUKZKOEDNJ-UHFFFAOYSA-N 0 0 220.228 2.019 10 0 BEAERN CC(C)c1[nH]nc(C(F)(F)F)c1CCO ZINC000409441676 343860865 /nfs/dbraw/zinc/86/08/65/343860865.db2.gz ZHMWWNIISZGCSO-UHFFFAOYSA-N 0 0 222.210 2.087 10 0 BEAERN CC(C)c1cc(C(F)(F)F)nn1CCO ZINC000409442852 343864618 /nfs/dbraw/zinc/86/46/18/343864618.db2.gz CASMLJKRBDHFDN-UHFFFAOYSA-N 0 0 222.210 2.018 10 0 BEAERN NC(=O)c1cc(-c2cccs2)nn1C(F)F ZINC000409443255 343866557 /nfs/dbraw/zinc/86/65/57/343866557.db2.gz JXUWYYQUFBQVFW-UHFFFAOYSA-N 0 0 243.238 2.106 10 0 BEAERN O=Cc1cc(-c2cccnc2)nn1C(F)F ZINC000409443270 343866691 /nfs/dbraw/zinc/86/66/91/343866691.db2.gz KDEALTVIVHTWOU-UHFFFAOYSA-N 0 0 223.182 2.153 10 0 BEAERN CCOC(=O)c1noc([C@H](C)C(C)C)n1 ZINC000069691105 537830887 /nfs/dbraw/zinc/83/08/87/537830887.db2.gz MTJKBTVUGZYGRB-SSDOTTSWSA-N 0 0 212.249 2.006 10 0 BEAERN C[C@H](Oc1ccccc1)c1cc(N)ncn1 ZINC000575622265 343868752 /nfs/dbraw/zinc/86/87/52/343868752.db2.gz NKXZZZQPDDSTJM-VIFPVBQESA-N 0 0 215.256 2.029 10 0 BEAERN CC[C@H](c1ccccc1)c1cc(N)ncn1 ZINC000575621893 343870418 /nfs/dbraw/zinc/87/04/18/343870418.db2.gz DPIFKCRMMUQRBL-LLVKDONJSA-N 0 0 213.284 2.431 10 0 BEAERN CCC(CC)c1cc(=O)n(C(C)C)c(=O)[nH]1 ZINC000575622917 343875281 /nfs/dbraw/zinc/87/52/81/343875281.db2.gz ZITVQBUNNWJKBW-UHFFFAOYSA-N 0 0 224.304 2.433 10 0 BEAERN C[C@H](NN)c1cccc(F)c1Br ZINC000127171723 343886896 /nfs/dbraw/zinc/88/68/96/343886896.db2.gz QZSUNOOFOSOOMO-YFKPBYRVSA-N 0 0 233.084 2.113 10 0 BEAERN Brc1csc(COC2COC2)c1 ZINC000165605514 343937154 /nfs/dbraw/zinc/93/71/54/343937154.db2.gz MMJDOECNSMMFES-UHFFFAOYSA-N 0 0 249.129 2.426 10 0 BEAERN C[C@H]1CN(c2csc(Cl)n2)CCO1 ZINC000060446124 343938683 /nfs/dbraw/zinc/93/86/83/343938683.db2.gz XNTNWYAICYDLTK-LURJTMIESA-N 0 0 218.709 2.022 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCCCC[C@@H]1C ZINC000069945232 343944450 /nfs/dbraw/zinc/94/44/50/343944450.db2.gz IBQROBJUBKYELI-QWRGUYRKSA-N 0 0 213.321 2.360 10 0 BEAERN Cc1cccc(-c2nnc(Br)o2)n1 ZINC000157811600 343918044 /nfs/dbraw/zinc/91/80/44/343918044.db2.gz FGDRIQNKWLUUMP-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CC[C@@H](N)c1nnc([C@H]2CCCS2)o1 ZINC000070005796 343946336 /nfs/dbraw/zinc/94/63/36/343946336.db2.gz SVBDGIMGSWQQGK-RNFRBKRXSA-N 0 0 213.306 2.048 10 0 BEAERN C[C@H]1CC[C@H](c2nnc(Br)o2)O1 ZINC000157816918 343919597 /nfs/dbraw/zinc/91/95/97/343919597.db2.gz DXVMPPBJBYTLSI-CRCLSJGQSA-N 0 0 233.065 2.072 10 0 BEAERN C[C@@H]1CC[C@@H](c2nnc(Br)o2)O1 ZINC000157817051 343919663 /nfs/dbraw/zinc/91/96/63/343919663.db2.gz DXVMPPBJBYTLSI-UHNVWZDZSA-N 0 0 233.065 2.072 10 0 BEAERN CCCSc1ccc2c(c1)NC(=O)C2=O ZINC000036193363 343970022 /nfs/dbraw/zinc/97/00/22/343970022.db2.gz QQGZJALOQZZKAL-UHFFFAOYSA-N 0 0 221.281 2.324 10 0 BEAERN O=C1CCCC[C@H]1c1nc(C2CC2)no1 ZINC000070996880 343958866 /nfs/dbraw/zinc/95/88/66/343958866.db2.gz WNPGUDIVYUWOIB-MRVPVSSYSA-N 0 0 206.245 2.174 10 0 BEAERN Nc1cc(Br)cc(-c2ncc[nH]2)c1 ZINC000165690861 343963444 /nfs/dbraw/zinc/96/34/44/343963444.db2.gz HYIUUNRYBVUJNY-UHFFFAOYSA-N 0 0 238.088 2.421 10 0 BEAERN COC(=O)c1cnc(Cl)c2cc[nH]c21 ZINC000306221108 344079132 /nfs/dbraw/zinc/07/91/32/344079132.db2.gz VPPLPGHGVMUNHU-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN O[C@H]1CCC[C@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641299599 362351543 /nfs/dbraw/zinc/35/15/43/362351543.db2.gz UTMOIUWHBNQMPW-QWRGUYRKSA-N 0 0 233.315 2.069 10 0 BEAERN C[C@H]1COC[C@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000130002797 344101283 /nfs/dbraw/zinc/10/12/83/344101283.db2.gz PETGRZZNJLEIHM-QWRGUYRKSA-N 0 0 245.326 2.172 10 0 BEAERN CCCn1c2ccccc2nc1-c1nonc1N ZINC000000052339 344101396 /nfs/dbraw/zinc/10/13/96/344101396.db2.gz UZZWGLMVBYGQSK-UHFFFAOYSA-N 0 0 243.270 2.079 10 0 BEAERN CCC1(CC)C[C@H]([NH3+])c2cccnc2O1 ZINC000616569436 344170517 /nfs/dbraw/zinc/17/05/17/344170517.db2.gz UKJYHGPLAIYRPB-JTQLQIEISA-N 0 0 206.289 2.423 10 0 BEAERN CCc1ccc(CC)c(NC(=O)[C@H]([NH3+])CC)c1 ZINC000130183554 344120380 /nfs/dbraw/zinc/12/03/80/344120380.db2.gz KAIVVXSONWIECX-GFCCVEGCSA-N 0 0 234.343 2.487 10 0 BEAERN CNc1cc(Br)cc(OC)c1N ZINC000306355378 344127972 /nfs/dbraw/zinc/12/79/72/344127972.db2.gz JIHGYQWMOWBMHL-UHFFFAOYSA-N 0 0 231.093 2.082 10 0 BEAERN CCOC(=O)c1cnn(CC2CC(C)(C)C2)c1 ZINC000585142958 344176184 /nfs/dbraw/zinc/17/61/84/344176184.db2.gz RKGJASLRLPGECL-UHFFFAOYSA-N 0 0 236.315 2.496 10 0 BEAERN Brc1nsc(-c2ccccn2)n1 ZINC000230108826 344128626 /nfs/dbraw/zinc/12/86/26/344128626.db2.gz PPYDFPVXERALMR-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@]1(c2nc(Br)ns2)CCCO1 ZINC000230109011 344128630 /nfs/dbraw/zinc/12/86/30/344128630.db2.gz OOIJNFRYEAZTPI-SSDOTTSWSA-N 0 0 249.133 2.326 10 0 BEAERN CC(C)(C)c1ccnc(N2CCC[C@@H]2CO)c1 ZINC000641314877 362359914 /nfs/dbraw/zinc/35/99/14/362359914.db2.gz JLHLDCIJWQADCA-GFCCVEGCSA-N 0 0 234.343 2.340 10 0 BEAERN COc1ccc2cc(Cn3ccnc3)cnc2c1 ZINC000215937806 344135486 /nfs/dbraw/zinc/13/54/86/344135486.db2.gz AWBVQMVTOBJMAE-UHFFFAOYSA-N 0 0 239.278 2.488 10 0 BEAERN CN/N=C(\C)c1ccc(Br)cc1 ZINC000216137591 344139417 /nfs/dbraw/zinc/13/94/17/344139417.db2.gz PWQLPWLTVDQRGX-KPKJPENVSA-N 0 0 227.105 2.393 10 0 BEAERN CC(=O)c1ccc2c(c1)C[C@H](CCCO)C2 ZINC000216137592 344139768 /nfs/dbraw/zinc/13/97/68/344139768.db2.gz GGQFQAQAGLCWLZ-LLVKDONJSA-N 0 0 218.296 2.377 10 0 BEAERN COC(CC[C@@H](O)CCC(F)(F)F)OC ZINC000216120547 344139901 /nfs/dbraw/zinc/13/99/01/344139901.db2.gz SLNACYWQHGJYMR-SSDOTTSWSA-N 0 0 230.226 2.089 10 0 BEAERN CCOC(=O)[C@H]1Cc2ccc(C(C)=O)cc2C1 ZINC000216136520 344140071 /nfs/dbraw/zinc/14/00/71/344140071.db2.gz UEZLJJAVQVKWPI-ZDUSSCGKSA-N 0 0 232.279 2.167 10 0 BEAERN Cc1cc(Cl)nc(NC(=O)C2CCC2)n1 ZINC000235821935 344141023 /nfs/dbraw/zinc/14/10/23/344141023.db2.gz BRHXMNBLDXYXQR-UHFFFAOYSA-N 0 0 225.679 2.177 10 0 BEAERN C[C@@]1(C(=O)NCC2CC2)CC1(Cl)Cl ZINC000043752394 344142910 /nfs/dbraw/zinc/14/29/10/344142910.db2.gz NKBHMUREYIXFIP-QMMMGPOBSA-N 0 0 222.115 2.097 10 0 BEAERN COC(=O)Cc1cc(O)ccc1C(F)(F)F ZINC000309307643 347029941 /nfs/dbraw/zinc/02/99/41/347029941.db2.gz YJHAEWCZUPSDAQ-UHFFFAOYSA-N 0 0 234.173 2.127 10 0 BEAERN CCC1(CNc2nc(C)nc(C)c2F)CC1 ZINC000336745215 168468606 /nfs/dbraw/zinc/46/86/06/168468606.db2.gz VKBYYBLHLJSNBO-UHFFFAOYSA-N 0 0 223.295 2.257 10 0 BEAERN COC[C@H](O)c1cccc(Br)c1F ZINC000234711528 344223531 /nfs/dbraw/zinc/22/35/31/344223531.db2.gz HCABKGYJQFFSIC-QMMMGPOBSA-N 0 0 249.079 2.268 10 0 BEAERN CON(C)c1cc(Cl)c(F)cc1N ZINC000234730254 344231963 /nfs/dbraw/zinc/23/19/63/344231963.db2.gz ZEVYJQFMOXYVEK-UHFFFAOYSA-N 0 0 204.632 2.059 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@H]2[C@H](C)C2(F)F)o1 ZINC000408231486 344267842 /nfs/dbraw/zinc/26/78/42/344267842.db2.gz IGJCRZUPWHSKPF-BIIVOSGPSA-N 0 0 244.241 2.061 10 0 BEAERN Cc1cc(C)n2nc(N)c(C(C)C)c2n1 ZINC000166020745 344278126 /nfs/dbraw/zinc/27/81/26/344278126.db2.gz QIXQRQXWZQSIHM-UHFFFAOYSA-N 0 0 204.277 2.052 10 0 BEAERN O=c1nc(-c2ccc(Cl)s2)cc[nH]1 ZINC000236041129 344287178 /nfs/dbraw/zinc/28/71/78/344287178.db2.gz WPEYLNGIZVCWDG-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN C[C@H](C1CC1)N(C)C(=O)NCc1cscn1 ZINC000127406608 344328748 /nfs/dbraw/zinc/32/87/48/344328748.db2.gz KGWHSFHELYZKBY-MRVPVSSYSA-N 0 0 239.344 2.083 10 0 BEAERN O=C1NC2(CCCCC2)N[C@H]1c1ccccc1 ZINC000146136680 344359258 /nfs/dbraw/zinc/35/92/58/344359258.db2.gz KPUAOHYSPFWEJG-LBPRGKRZSA-N 0 0 230.311 2.108 10 0 BEAERN COc1ccc2c(c1Cl)C(=O)NCCC2 ZINC000217966346 344425463 /nfs/dbraw/zinc/42/54/63/344425463.db2.gz UWHYLMHZGNIZJN-UHFFFAOYSA-N 0 0 225.675 2.025 10 0 BEAERN CC(C)(C)OC(=O)[C@@H](N=C=O)C(C)(C)C ZINC000217975963 344428396 /nfs/dbraw/zinc/42/83/96/344428396.db2.gz QRXJXVXXXJDWKL-MRVPVSSYSA-N 0 0 213.277 2.079 10 0 BEAERN O[C@@H]([C@@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000236526862 344395947 /nfs/dbraw/zinc/39/59/47/344395947.db2.gz VNWGQNNOPULWJC-MNOVXSKESA-N 0 0 212.676 2.144 10 0 BEAERN S=c1[nH]c(CC2CC2)ncc1Br ZINC000236566610 344398280 /nfs/dbraw/zinc/39/82/80/344398280.db2.gz GWYATSNPWCRBCE-UHFFFAOYSA-N 0 0 245.145 2.480 10 0 BEAERN Brc1nc(C2CCOCC2)ns1 ZINC000166033008 344406225 /nfs/dbraw/zinc/40/62/25/344406225.db2.gz LRYAHUCLIOYFJA-UHFFFAOYSA-N 0 0 249.133 2.195 10 0 BEAERN CO[C@@H](C)c1nsc(Br)n1 ZINC000166034634 344407104 /nfs/dbraw/zinc/40/71/04/344407104.db2.gz KASXONMAPXRSPX-VKHMYHEASA-N 0 0 223.095 2.008 10 0 BEAERN COC(=O)c1ccc(OC(C)C)c(C=O)c1 ZINC000139714846 344436008 /nfs/dbraw/zinc/43/60/08/344436008.db2.gz VKNPPKVOVCHTKW-UHFFFAOYSA-N 0 0 222.240 2.073 10 0 BEAERN Cc1ccc(Cn2ccc(N)n2)cc1C ZINC000049668733 178665544 /nfs/dbraw/zinc/66/55/44/178665544.db2.gz NEYUDKJOVJWGES-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN COC1(c2nsc(Br)n2)CCC1 ZINC000166052709 344448608 /nfs/dbraw/zinc/44/86/08/344448608.db2.gz UROWPKNRSZZJOQ-UHFFFAOYSA-N 0 0 249.133 2.326 10 0 BEAERN CC[C@H](NC(=O)c1ccnc(F)c1)C(C)C ZINC000042591855 344460207 /nfs/dbraw/zinc/46/02/07/344460207.db2.gz YUWNLMGESGMNKW-JTQLQIEISA-N 0 0 224.279 2.385 10 0 BEAERN C[C@@H](C[N@H+](C)C[C@@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536785 344518653 /nfs/dbraw/zinc/51/86/53/344518653.db2.gz QUURYKHPWPTLCP-UWVGGRQHSA-N 0 0 249.301 2.464 10 0 BEAERN C[C@@H]1C[C@@H](C)N(c2nc(Cl)nc(Cl)n2)C1 ZINC000158096358 344542018 /nfs/dbraw/zinc/54/20/18/344542018.db2.gz XUUSQYSQLKDJBV-PHDIDXHHSA-N 0 0 247.129 2.413 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)CCc1ccccc1 ZINC000044621950 344544545 /nfs/dbraw/zinc/54/45/45/344544545.db2.gz MTCJLYAPMGAVHA-LBPRGKRZSA-N 0 0 221.300 2.024 10 0 BEAERN COc1cc(C2(F)CNC2)ccc1Cl ZINC000158131235 344550157 /nfs/dbraw/zinc/55/01/57/344550157.db2.gz LSGYFHDCZWZNAB-UHFFFAOYSA-N 0 0 215.655 2.117 10 0 BEAERN Nc1cnc(NCc2cccs2)s1 ZINC000226727870 344556252 /nfs/dbraw/zinc/55/62/52/344556252.db2.gz APFNDZHOONPQPU-UHFFFAOYSA-N 0 0 211.315 2.399 10 0 BEAERN C[C@H](O)c1c(O)cccc1Br ZINC000259304020 344578249 /nfs/dbraw/zinc/57/82/49/344578249.db2.gz BSOJVXAZCWGWBG-YFKPBYRVSA-N 0 0 217.062 2.208 10 0 BEAERN CCOC(=O)c1nccc(C(F)(F)F)c1F ZINC000396122417 344608970 /nfs/dbraw/zinc/60/89/70/344608970.db2.gz BFFAIDLUOKWFCV-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN COC(=O)c1c(F)cc(F)cc1OC(F)F ZINC000396122642 344609043 /nfs/dbraw/zinc/60/90/43/344609043.db2.gz XFQYFISSWZHVAP-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COc1ccc(F)c(N)c1OC(F)(F)F ZINC000396127084 344610364 /nfs/dbraw/zinc/61/03/64/344610364.db2.gz OECFDXDDGSCSMO-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CNc1ccc(NC(C)=O)cc1Br ZINC000158369016 344611626 /nfs/dbraw/zinc/61/16/26/344611626.db2.gz OQDJTGXAUZOPDR-UHFFFAOYSA-N 0 0 243.104 2.449 10 0 BEAERN CCOC(=O)c1ccc(C(F)(F)F)c(F)n1 ZINC000396130489 344612324 /nfs/dbraw/zinc/61/23/24/344612324.db2.gz YPEXQLPTSIITQX-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(O)c1CC ZINC000396137148 344613563 /nfs/dbraw/zinc/61/35/63/344613563.db2.gz NNHWYWMSXRFRIP-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN N#Cc1c(N)c(F)ccc1OC(F)(F)F ZINC000396137705 344614092 /nfs/dbraw/zinc/61/40/92/344614092.db2.gz PGYUNMDSBFVJEP-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)c1c(O)cc(CC)cc1C#N ZINC000396139689 344615150 /nfs/dbraw/zinc/61/51/50/344615150.db2.gz VOORHKWLZWGXIZ-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)Cc1cc(C#N)c(Cl)cc1C ZINC000396141120 344615853 /nfs/dbraw/zinc/61/58/53/344615853.db2.gz CZBDTQXIWQIKON-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN OCCC[C@@H]1CCCN1c1cc(C2CC2)ncn1 ZINC000641500550 362463276 /nfs/dbraw/zinc/46/32/76/362463276.db2.gz JAMBUFWWWUWSIB-LBPRGKRZSA-N 0 0 247.342 2.095 10 0 BEAERN COC(=O)Cc1c(Cl)cc(C)cc1C#N ZINC000396141923 344616397 /nfs/dbraw/zinc/61/63/97/344616397.db2.gz GQRNMNCOSGRHEN-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(C)cc(C#N)c1Cl ZINC000396142634 344616410 /nfs/dbraw/zinc/61/64/10/344616410.db2.gz JFRJNIPNINUPBK-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(C#N)c(C)cc1Cl ZINC000396143035 344616938 /nfs/dbraw/zinc/61/69/38/344616938.db2.gz LECJWIOTAXDJMY-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1cc(F)cc(C#N)c1C ZINC000396144364 344617549 /nfs/dbraw/zinc/61/75/49/344617549.db2.gz OWIHLVCUVVYLRT-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN OCc1cc(C(F)(F)F)c(OC(F)F)cn1 ZINC000396093473 344600094 /nfs/dbraw/zinc/60/00/94/344600094.db2.gz HLTJMUHIPJGURJ-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COc1ccc(Cc2nccs2)cn1 ZINC000127683609 344600698 /nfs/dbraw/zinc/60/06/98/344600698.db2.gz SOULPIMXDOHCOJ-UHFFFAOYSA-N 0 0 206.270 2.138 10 0 BEAERN COc1c(N)c(F)ccc1OC(F)(F)F ZINC000396100315 344602234 /nfs/dbraw/zinc/60/22/34/344602234.db2.gz DSEWKLHWBMPYTD-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN OCc1cc(OC(F)F)cc(C(F)(F)F)n1 ZINC000396102033 344602844 /nfs/dbraw/zinc/60/28/44/344602844.db2.gz VTGHKFGZCSBQKS-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COC(=O)c1cc(F)cc(OC(F)F)c1F ZINC000396102627 344602872 /nfs/dbraw/zinc/60/28/72/344602872.db2.gz IRCUDQYIBCBFKK-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN N#Cc1ccc(OC(F)(F)F)cc1C=O ZINC000396102962 344602906 /nfs/dbraw/zinc/60/29/06/344602906.db2.gz RCJWRLYWOSAXLE-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN COc1cc(N)c(F)cc1OC(F)(F)F ZINC000396105337 344603363 /nfs/dbraw/zinc/60/33/63/344603363.db2.gz OCUXXQNWNOXWGO-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COc1c([N+](=O)[O-])nccc1C(F)(F)F ZINC000396106737 344603465 /nfs/dbraw/zinc/60/34/65/344603465.db2.gz QZIMFXJYOOYDTG-UHFFFAOYSA-N 0 0 222.122 2.017 10 0 BEAERN CCOC(=O)c1cncc(C(F)(F)F)c1F ZINC000396108094 344603761 /nfs/dbraw/zinc/60/37/61/344603761.db2.gz BDWQACVHRXETNH-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN COc1cc(F)cc(OC(F)(F)F)c1N ZINC000396107535 344603947 /nfs/dbraw/zinc/60/39/47/344603947.db2.gz UAYNCDJKIKDNBO-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COC(=O)c1nccc(F)c1C(F)(F)F ZINC000396107977 344604051 /nfs/dbraw/zinc/60/40/51/344604051.db2.gz ALVUHSICECWVNU-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN COC(=O)c1cncc(F)c1C(F)(F)F ZINC000396108753 344604863 /nfs/dbraw/zinc/60/48/63/344604863.db2.gz CIKNOLMLHGREJH-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)c(F)cn1 ZINC000396111247 344605482 /nfs/dbraw/zinc/60/54/82/344605482.db2.gz IZGUJJGHRVGOSM-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1cc(F)c([N+](=O)[O-])cc1C ZINC000396113424 344605822 /nfs/dbraw/zinc/60/58/22/344605822.db2.gz CVTPUKYJYLSWKF-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOC(=O)c1cc(C)c(F)cc1[N+](=O)[O-] ZINC000396116674 344607043 /nfs/dbraw/zinc/60/70/43/344607043.db2.gz JOWAWVPFXAIQGW-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CN(C)c1cccc(CO)c1OC(F)(F)F ZINC000396121749 344608509 /nfs/dbraw/zinc/60/85/09/344608509.db2.gz RBKZPMORTPESOD-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CN(C)c1cc(C=O)cc(OC(F)(F)F)c1 ZINC000396120480 344608535 /nfs/dbraw/zinc/60/85/35/344608535.db2.gz RVBRIFWVXWXKPQ-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN CCOC(=O)c1ccnc([C@H]2CCCS2)n1 ZINC000300723639 537853895 /nfs/dbraw/zinc/85/38/95/537853895.db2.gz DTVPGVRARYEGHU-SECBINFHSA-N 0 0 238.312 2.221 10 0 BEAERN CCOc1cccc2ncc(CO)cc21 ZINC000205600608 344658045 /nfs/dbraw/zinc/65/80/45/344658045.db2.gz LDLSAIBZQUZWTH-UHFFFAOYSA-N 0 0 203.241 2.126 10 0 BEAERN C[C@@H](O)[C@H](O)c1ccc(Cl)cc1Cl ZINC000113385459 344659012 /nfs/dbraw/zinc/65/90/12/344659012.db2.gz SCSAPYIJZGZEAX-ANLVUFKYSA-N 0 0 221.083 2.408 10 0 BEAERN C[C@H](O)[C@@H](O)c1cccc(Cl)c1Cl ZINC000113397385 344659549 /nfs/dbraw/zinc/65/95/49/344659549.db2.gz FLKWPERUUCNAAU-SSDLBLMSSA-N 0 0 221.083 2.408 10 0 BEAERN CO[C@@H](C)Cc1nc(C)c(C)c(Cl)n1 ZINC000127863165 344669600 /nfs/dbraw/zinc/66/96/00/344669600.db2.gz DWYBTUQOOORVNL-LURJTMIESA-N 0 0 214.696 2.324 10 0 BEAERN CO[C@H](C)Cc1nc2c(c(Cl)n1)CCC2 ZINC000127863616 344670349 /nfs/dbraw/zinc/67/03/49/344670349.db2.gz JITCWSCDHIMLJZ-SSDOTTSWSA-N 0 0 226.707 2.196 10 0 BEAERN CO[C@H](C)Cc1nc2c(c(Cl)n1)CSC2 ZINC000127880965 344671819 /nfs/dbraw/zinc/67/18/19/344671819.db2.gz AZENAXDJRRKFDH-ZCFIWIBFSA-N 0 0 244.747 2.454 10 0 BEAERN COc1c(C)ccc(Br)c1O ZINC000215480940 344677565 /nfs/dbraw/zinc/67/75/65/344677565.db2.gz KNFHQCWDLBPWOP-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN Oc1ccccc1SCc1ncno1 ZINC000050046517 344620020 /nfs/dbraw/zinc/62/00/20/344620020.db2.gz YLDOPFZOQPACQC-UHFFFAOYSA-N 0 0 208.242 2.068 10 0 BEAERN CCc1c(C#N)ccc(C)c1CC(=O)OC ZINC000396146869 344620603 /nfs/dbraw/zinc/62/06/03/344620603.db2.gz KGDHSMKTTYTZBF-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN N#Cc1cc(F)cc(N)c1OC(F)(F)F ZINC000396147222 344620877 /nfs/dbraw/zinc/62/08/77/344620877.db2.gz XQUVHIBYEFXKTP-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN COC(=O)c1c(C)ccc(Cl)c1[N+](=O)[O-] ZINC000396149604 344623005 /nfs/dbraw/zinc/62/30/05/344623005.db2.gz PABLQIOKGGRGTB-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN COC(=O)c1c(F)ccc(C#N)c1C(F)F ZINC000396150988 344623866 /nfs/dbraw/zinc/62/38/66/344623866.db2.gz BBUNJXAZHCCUSB-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1cc(C)cc(C#N)c1OC ZINC000396151347 344624217 /nfs/dbraw/zinc/62/42/17/344624217.db2.gz LACJTAVGHDODJI-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)c1cc(F)c(C#N)cc1C(F)F ZINC000396151914 344624693 /nfs/dbraw/zinc/62/46/93/344624693.db2.gz LZAMNTNFENXTIA-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(C#N)c1F ZINC000396153503 344625672 /nfs/dbraw/zinc/62/56/72/344625672.db2.gz CONFTTJLTCGPIC-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)Cc1cc(Cl)c(F)c(C#N)c1 ZINC000396154194 344626228 /nfs/dbraw/zinc/62/62/28/344626228.db2.gz UFUHRHOAKRXORJ-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1cc(C=O)c(C#N)cc1Cl ZINC000396154373 344626438 /nfs/dbraw/zinc/62/64/38/344626438.db2.gz FSSRKYYGBMQQLC-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1c(F)cc(C(=O)OC)cc1C#N ZINC000396155590 344627337 /nfs/dbraw/zinc/62/73/37/344627337.db2.gz HNRHERHZAJEWGK-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1cc(C)c(C#N)cc1C(=O)OC ZINC000396155494 344627379 /nfs/dbraw/zinc/62/73/79/344627379.db2.gz HCCMDJBYQBEMDP-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(C#N)c1C ZINC000396155936 344627472 /nfs/dbraw/zinc/62/74/72/344627472.db2.gz HEISHBNUAJKWAN-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCc1cc(C#N)cc(C(=O)OC)c1C ZINC000396156299 344627534 /nfs/dbraw/zinc/62/75/34/344627534.db2.gz INUXIKJXXLVMOS-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)c1cc(C#N)c(Cl)c(C=O)c1 ZINC000396156327 344627642 /nfs/dbraw/zinc/62/76/42/344627642.db2.gz IQUUYYULSBZCTR-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1c(C#N)c(C)ccc1C(=O)OC ZINC000396169242 344630384 /nfs/dbraw/zinc/63/03/84/344630384.db2.gz YJBGOGQDASOAIE-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN COC(=O)Cc1c(C)c([N+](=O)[O-])ccc1Cl ZINC000396169967 344630937 /nfs/dbraw/zinc/63/09/37/344630937.db2.gz ZOMJTQVNFAGYPK-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1c(C#N)ccc(CC(=O)OC)c1Cl ZINC000396169851 344630955 /nfs/dbraw/zinc/63/09/55/344630955.db2.gz YYLIHKSSVGNABI-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)c1cc(C#N)cc(C(F)F)c1F ZINC000396158760 344631921 /nfs/dbraw/zinc/63/19/21/344631921.db2.gz VVACPDIYRQKLHH-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1cc(Cl)c(C#N)cc1CC(=O)OC ZINC000396159373 344632457 /nfs/dbraw/zinc/63/24/57/344632457.db2.gz LPENTONBDCOYDF-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)c1c(C#N)ccc(C(F)F)c1F ZINC000396159514 344632494 /nfs/dbraw/zinc/63/24/94/344632494.db2.gz WLZPOYBQIXTRBR-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1c(C)ccc(C)c1C#N ZINC000396159747 344633140 /nfs/dbraw/zinc/63/31/40/344633140.db2.gz IDHVUBBMGTUHJA-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN CCOC(=O)Cc1cc(C)c(F)c(C#N)c1 ZINC000396160701 344633380 /nfs/dbraw/zinc/63/33/80/344633380.db2.gz NPLANBHCZCVIJW-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCc1c(C#N)ccc(C)c1C(=O)OC ZINC000396160500 344633493 /nfs/dbraw/zinc/63/34/93/344633493.db2.gz MYWQBPYLNOHCAV-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(F)c1C#N ZINC000396161600 344634193 /nfs/dbraw/zinc/63/41/93/344634193.db2.gz PCRDOTSQEBSXQT-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(CC)c1F ZINC000396163394 344635025 /nfs/dbraw/zinc/63/50/25/344635025.db2.gz QCZDWMVLFAULCC-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(C=O)c1C#N ZINC000396164139 344635581 /nfs/dbraw/zinc/63/55/81/344635581.db2.gz QWNSHUDVKVJBMA-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)Cc1cc(F)c(C#N)cc1C ZINC000396167751 344636804 /nfs/dbraw/zinc/63/68/04/344636804.db2.gz YGCZLWBCDZTEMR-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)c1c(C#N)cc(Cl)cc1C=O ZINC000396168025 344637294 /nfs/dbraw/zinc/63/72/94/344637294.db2.gz XCDVNKLJFYFYCJ-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN Cn1ccnc1Sc1ccc(O)cc1 ZINC000050607077 344722061 /nfs/dbraw/zinc/72/20/61/344722061.db2.gz KFXZFVYVSTZHRV-UHFFFAOYSA-N 0 0 206.270 2.277 10 0 BEAERN COc1ccc2c(c1)OCCCCC2=O ZINC000212217807 344727815 /nfs/dbraw/zinc/72/78/15/344727815.db2.gz ALSHSFOJHUQGEC-UHFFFAOYSA-N 0 0 206.241 2.441 10 0 BEAERN Cc1csc(C[C@H](O)C(F)(F)Cl)n1 ZINC000158711273 344730430 /nfs/dbraw/zinc/73/04/30/344730430.db2.gz QUZVXOPDEDWMQF-YFKPBYRVSA-N 0 0 227.663 2.187 10 0 BEAERN Cc1ccncc1[C@H](O)C(F)(F)Cl ZINC000158715264 344730487 /nfs/dbraw/zinc/73/04/87/344730487.db2.gz XLIDTYRVIYZATH-ZETCQYMHSA-N 0 0 207.607 2.255 10 0 BEAERN CN(C)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054861643 344733454 /nfs/dbraw/zinc/73/34/54/344733454.db2.gz MBCVRVKVLDZMLB-UHFFFAOYSA-N 0 0 224.329 2.364 10 0 BEAERN CC[N@@H+]1CC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000221342932 344734082 /nfs/dbraw/zinc/73/40/82/344734082.db2.gz BBVKLMILJHBUHF-GFCCVEGCSA-N 0 0 219.284 2.194 10 0 BEAERN C[C@@H]1CC[C@@H](n2c(CO)c[nH]c2=S)C1 ZINC000128084010 344734609 /nfs/dbraw/zinc/73/46/09/344734609.db2.gz ZNPKKWVECRFMLG-HTQZYQBOSA-N 0 0 212.318 2.025 10 0 BEAERN CO[C@@H]1CC[C@H](Nc2cnnc(Cl)c2)C1 ZINC000234980772 344741560 /nfs/dbraw/zinc/74/15/60/344741560.db2.gz KPIWMOCXVZNOAK-IONNQARKSA-N 0 0 227.695 2.109 10 0 BEAERN O=Cc1cc(O)c(F)cc1Br ZINC000114101104 344683450 /nfs/dbraw/zinc/68/34/50/344683450.db2.gz ZRHLLMSWDNTUGV-UHFFFAOYSA-N 0 0 219.009 2.106 10 0 BEAERN CCOC(=O)CNc1ccc2ncccc2c1 ZINC000115460410 344710011 /nfs/dbraw/zinc/71/00/11/344710011.db2.gz AUVYJZHKZQXKMI-UHFFFAOYSA-N 0 0 230.267 2.210 10 0 BEAERN COc1cncc(C(=O)C(F)(F)Cl)c1 ZINC000158669120 344713327 /nfs/dbraw/zinc/71/33/27/344713327.db2.gz VFDQTCPUKDVAKC-UHFFFAOYSA-N 0 0 221.590 2.105 10 0 BEAERN Cc1nn([C@@H]2CCC[C@H]2O)c(C)c1Cl ZINC000050587472 344715477 /nfs/dbraw/zinc/71/54/77/344715477.db2.gz IKVIDKGRRZRLJE-RKDXNWHRSA-N 0 0 214.696 2.239 10 0 BEAERN Cc1ccc(N)cc1NC(=O)COCC(C)C ZINC000019279893 178708456 /nfs/dbraw/zinc/70/84/56/178708456.db2.gz YLKNYDQYYIRYCU-UHFFFAOYSA-N 0 0 236.315 2.188 10 0 BEAERN CSc1nc(N)nc2sc(C)cc21 ZINC000235070793 344762095 /nfs/dbraw/zinc/76/20/95/344762095.db2.gz SRDBKEQLCQWGEA-UHFFFAOYSA-N 0 0 211.315 2.304 10 0 BEAERN Cc1ccc(N)cc1Oc1cnccn1 ZINC000035678366 178709490 /nfs/dbraw/zinc/70/94/90/178709490.db2.gz AYYVIBKPUILWEU-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1ccc(N)cc1NC[C@H]1CCCOC1 ZINC000053735511 178709525 /nfs/dbraw/zinc/70/95/25/178709525.db2.gz SFSJOOZKMLNLFS-LLVKDONJSA-N 0 0 220.316 2.416 10 0 BEAERN CSc1c(N)nsc1N[C@H]1C[C@H]1C ZINC000235082053 344774810 /nfs/dbraw/zinc/77/48/10/344774810.db2.gz IOYWIZQZIVDPQR-UHNVWZDZSA-N 0 0 215.347 2.268 10 0 BEAERN CCn1ccnc1CS[C@@H]1CCO[C@@H]1C ZINC000163362011 323076877 /nfs/dbraw/zinc/07/68/77/323076877.db2.gz LCLGFOMACGDBHN-NXEZZACHSA-N 0 0 226.345 2.314 10 0 BEAERN Clc1sccc1[C@@H]1NCCc2nc[nH]c21 ZINC000400587367 537859368 /nfs/dbraw/zinc/85/93/68/537859368.db2.gz WIHJQJWKWLVCFM-QMMMGPOBSA-N 0 0 239.731 2.360 10 0 BEAERN CC(C)(C)CCc1nc(N)nc(Cl)n1 ZINC000300774486 537859945 /nfs/dbraw/zinc/85/99/45/537859945.db2.gz AGRISHVNKOZVKE-UHFFFAOYSA-N 0 0 214.700 2.086 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](C)[C@H]1C ZINC000178437220 534967842 /nfs/dbraw/zinc/96/78/42/534967842.db2.gz ZERSDZMHJRKLJE-OUAUKWLOSA-N 0 0 212.337 2.471 10 0 BEAERN COc1cccnc1[C@H]1CCC(=O)[C@@H]1C ZINC000235107589 344791619 /nfs/dbraw/zinc/79/16/19/344791619.db2.gz SJFMPDMMBQWSRK-BDAKNGLRSA-N 0 0 205.257 2.173 10 0 BEAERN Clc1sccc1[C@H]1NCCc2nc[nH]c21 ZINC000400587364 537859016 /nfs/dbraw/zinc/85/90/16/537859016.db2.gz WIHJQJWKWLVCFM-MRVPVSSYSA-N 0 0 239.731 2.360 10 0 BEAERN CCCCCn1c2ccc(C)cc2c(=O)oc1=O ZINC000033494487 344796165 /nfs/dbraw/zinc/79/61/65/344796165.db2.gz BZPIQUKGXSFCCT-UHFFFAOYSA-N 0 0 247.294 2.453 10 0 BEAERN CS[C@@H]1CCCC[C@H]1NC(=O)n1ccnc1 ZINC000235176398 344834757 /nfs/dbraw/zinc/83/47/57/344834757.db2.gz KRNOFRZZVCSDAJ-NXEZZACHSA-N 0 0 239.344 2.115 10 0 BEAERN CS[C@@H]1CC[C@H](N2CN=NC2=S)C1 ZINC000235185314 344839056 /nfs/dbraw/zinc/83/90/56/344839056.db2.gz MSRKCFGTFUWJDV-NKWVEPMBSA-N 0 0 215.347 2.023 10 0 BEAERN CC(C)Nc1ncc(Br)cc1CO ZINC000166279108 344839909 /nfs/dbraw/zinc/83/99/09/344839909.db2.gz WMKCCAWNGKGNKL-UHFFFAOYSA-N 0 0 245.120 2.157 10 0 BEAERN Nc1cc(F)ccc1C(=O)c1ccco1 ZINC000166274267 344840137 /nfs/dbraw/zinc/84/01/37/344840137.db2.gz HZZCVUNAGMCKQV-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1O ZINC000189400211 178744430 /nfs/dbraw/zinc/74/44/30/178744430.db2.gz DWAZNUPXGWNMLS-CMPLNLGQSA-N 0 0 249.310 2.454 10 0 BEAERN O=c1cc(Cl)ncn1Cc1ccsc1 ZINC000166257039 344828850 /nfs/dbraw/zinc/82/88/50/344828850.db2.gz ZJQVGJMPPCXCRR-UHFFFAOYSA-N 0 0 226.688 2.007 10 0 BEAERN CC(=O)Oc1coc(-c2ccccc2)cc1=O ZINC000118887879 344830599 /nfs/dbraw/zinc/83/05/99/344830599.db2.gz JGQBWQADUYCZAJ-UHFFFAOYSA-N 0 0 230.219 2.232 10 0 BEAERN COc1c(C)nc(Br)c(N)c1C ZINC000166294519 344846354 /nfs/dbraw/zinc/84/63/54/344846354.db2.gz FXSBGWAEPGIDPO-UHFFFAOYSA-N 0 0 231.093 2.052 10 0 BEAERN CS[C@@H]1CCC[C@@H]1N1CN=NC1=S ZINC000235222146 344848840 /nfs/dbraw/zinc/84/88/40/344848840.db2.gz ZHYDAEOTSROASL-NKWVEPMBSA-N 0 0 215.347 2.023 10 0 BEAERN CC(F)(F)C(=O)C1=C(O)CCCCC1 ZINC000300931007 537868214 /nfs/dbraw/zinc/86/82/14/537868214.db2.gz WAGLMEDMDCPKGW-SSDOTTSWSA-N 0 0 204.216 2.360 10 0 BEAERN Cc1cnc(CCNc2nc(C)ns2)s1 ZINC000078373032 344856073 /nfs/dbraw/zinc/85/60/73/344856073.db2.gz VUGZIHJSEKROJM-UHFFFAOYSA-N 0 0 240.357 2.266 10 0 BEAERN Cc1ccc(NCC(=O)NC(C)C)c(F)c1 ZINC000020360644 178756277 /nfs/dbraw/zinc/75/62/77/178756277.db2.gz JAKGQGHBXWFAMO-UHFFFAOYSA-N 0 0 224.279 2.071 10 0 BEAERN CC(C)(C)Nc1ccc(Cl)c(CO)n1 ZINC000166283854 344842714 /nfs/dbraw/zinc/84/27/14/344842714.db2.gz ZNMJQKYPEKCXMR-UHFFFAOYSA-N 0 0 214.696 2.438 10 0 BEAERN C[C@@H](O)C(=O)Cc1cc(Cl)ccc1Cl ZINC000235254631 344861491 /nfs/dbraw/zinc/86/14/91/344861491.db2.gz QCYXGVDIGUOECV-ZCFIWIBFSA-N 0 0 233.094 2.486 10 0 BEAERN C[C@@H]1C[C@H](C)CC(O)=C1C(=O)C(C)(F)F ZINC000300913202 537869298 /nfs/dbraw/zinc/86/92/98/537869298.db2.gz SBLQGSQJILGIBB-OOZYFLPDSA-N 0 0 218.243 2.462 10 0 BEAERN C[C@@H]1CCNc2c(Br)cnn21 ZINC000235289181 344872948 /nfs/dbraw/zinc/87/29/48/344872948.db2.gz QFRYWLYLOPURCN-RXMQYKEDSA-N 0 0 216.082 2.022 10 0 BEAERN CSc1c(N)nsc1N(C)C1CC1 ZINC000235295054 344875488 /nfs/dbraw/zinc/87/54/88/344875488.db2.gz RRPJEQAGMYYISN-UHFFFAOYSA-N 0 0 215.347 2.046 10 0 BEAERN C[C@@H]1C[C@@]1(O)c1ccoc1Br ZINC000235295861 344875683 /nfs/dbraw/zinc/87/56/83/344875683.db2.gz JETPMBSHAFZYHI-XRGYYRRGSA-N 0 0 217.062 2.270 10 0 BEAERN CC1(C)CC[C@@H](Cc2cnc(N)s2)O1 ZINC000166368972 344876253 /nfs/dbraw/zinc/87/62/53/344876253.db2.gz VFPIQSWLTAUMSM-ZETCQYMHSA-N 0 0 212.318 2.225 10 0 BEAERN COC(=O)CCC(=O)c1ccc(F)cc1C ZINC000050568926 344882370 /nfs/dbraw/zinc/88/23/70/344882370.db2.gz DUDZFGFLVWLPCH-UHFFFAOYSA-N 0 0 224.231 2.270 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@]1(CC(=O)[O-])[NH+](C)C ZINC000235328958 344885377 /nfs/dbraw/zinc/88/53/77/344885377.db2.gz NHNCBGMPNNPCFS-SKDRFNHKSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H](O)[C@@H](C)Sc1nc(Cl)ncc1F ZINC000235341963 344890138 /nfs/dbraw/zinc/89/01/38/344890138.db2.gz XBXAFAAKSHMKMN-RFZPGFLSSA-N 0 0 236.699 2.131 10 0 BEAERN C[C@@H]1OCC[C@@H]1Sc1ccnc(F)c1 ZINC000235354686 344893558 /nfs/dbraw/zinc/89/35/58/344893558.db2.gz JEGZBLXLCQJMGJ-CBAPKCEASA-N 0 0 213.277 2.490 10 0 BEAERN OC[C@@H](Nc1ccc(Cl)cn1)c1ccco1 ZINC000078672188 344895592 /nfs/dbraw/zinc/89/55/92/344895592.db2.gz FGTLBEDXPLVSSX-SECBINFHSA-N 0 0 238.674 2.474 10 0 BEAERN NN=c1[nH]c2c(s1)CCc1sccc1-2 ZINC000061327637 344912507 /nfs/dbraw/zinc/91/25/07/344912507.db2.gz MNRJYXZYWLFSKG-UHFFFAOYSA-N 0 0 223.326 2.256 10 0 BEAERN CC[C@H]1CCN(c2nc(Cl)nc(Cl)n2)C1 ZINC000166492095 344908745 /nfs/dbraw/zinc/90/87/45/344908745.db2.gz VRYAQMXKFXFFPQ-LURJTMIESA-N 0 0 247.129 2.415 10 0 BEAERN CCC[C@H]1CCN(c2cc(F)ncn2)C1 ZINC000166497417 344908924 /nfs/dbraw/zinc/90/89/24/344908924.db2.gz PMBOQIBZADZJAN-VIFPVBQESA-N 0 0 209.268 2.242 10 0 BEAERN CCOc1ccc(N)c(Br)c1 ZINC000034581477 347085898 /nfs/dbraw/zinc/08/58/98/347085898.db2.gz OPZGTOMTJKDDAP-UHFFFAOYSA-N 0 0 216.078 2.430 10 0 BEAERN CC[C@H]1CCN(C2N=NC(=S)S2)C1 ZINC000166583007 344933001 /nfs/dbraw/zinc/93/30/01/344933001.db2.gz GOSYVIMFNPTKDM-LURJTMIESA-N 0 0 215.347 2.063 10 0 BEAERN CC(C)C[C@@H](C)Cn1cc(N)ccc1=O ZINC000301006885 537875497 /nfs/dbraw/zinc/87/54/97/537875497.db2.gz YAQOAXRICONADD-SNVBAGLBSA-N 0 0 208.305 2.113 10 0 BEAERN CCO/C=C/c1cc(Br)cnc1N ZINC000167101590 344917677 /nfs/dbraw/zinc/91/76/77/344917677.db2.gz WYHWNCCHKGXVNT-ONEGZZNKSA-N 0 0 243.104 2.434 10 0 BEAERN C[C@@H]1CCN(c2nc(Cl)nc(Cl)n2)C1 ZINC000061518468 344955508 /nfs/dbraw/zinc/95/55/08/344955508.db2.gz IGRRBUVEQMFTSU-RXMQYKEDSA-N 0 0 233.102 2.025 10 0 BEAERN Cc1csc([C@@H]([NH3+])[C@H]2CCSC2)n1 ZINC000224627394 344957004 /nfs/dbraw/zinc/95/70/04/344957004.db2.gz LBASYUPBUXXJQW-YUMQZZPRSA-N 0 0 214.359 2.204 10 0 BEAERN Cc1csc([C@H]([NH3+])[C@H]2CCSC2)n1 ZINC000224627447 344957008 /nfs/dbraw/zinc/95/70/08/344957008.db2.gz LBASYUPBUXXJQW-JGVFFNPUSA-N 0 0 214.359 2.204 10 0 BEAERN CC(C)=C(F)C(=O)NCC1(O)CCCCCC1 ZINC000153732211 344963634 /nfs/dbraw/zinc/96/36/34/344963634.db2.gz SVBOLIQDQCAFMN-UHFFFAOYSA-N 0 0 243.322 2.451 10 0 BEAERN Cc1nc([C@H]2CCSC2)c(N)s1 ZINC000224673607 344966217 /nfs/dbraw/zinc/96/62/17/344966217.db2.gz JRHLRVWBFOFSOZ-LURJTMIESA-N 0 0 200.332 2.254 10 0 BEAERN C[C@H]1CCNc2cc(C(F)(F)F)nn21 ZINC000235569819 344945001 /nfs/dbraw/zinc/94/50/01/344945001.db2.gz DYIHHCQJANIMMA-YFKPBYRVSA-N 0 0 205.183 2.279 10 0 BEAERN C[C@H]1CCCN1c1nc(F)c(F)cc1F ZINC000235581860 344947894 /nfs/dbraw/zinc/94/78/94/344947894.db2.gz HATZWPXOLOBOTR-LURJTMIESA-N 0 0 216.206 2.488 10 0 BEAERN O=c1[nH][nH]c(=S)n1C1CCCCCC1 ZINC000061591166 345011095 /nfs/dbraw/zinc/01/10/95/345011095.db2.gz NYNRJFCPSIOETF-UHFFFAOYSA-N 0 0 213.306 2.129 10 0 BEAERN CC[C@H]1CCCN1C1N=NC(=S)S1 ZINC000044241440 344991441 /nfs/dbraw/zinc/99/14/41/344991441.db2.gz CHQUGVAVJPAOLV-LURJTMIESA-N 0 0 215.347 2.206 10 0 BEAERN CC[N@@H+]1CCC[C@H]1CN(C)Cc1cncs1 ZINC000123379518 344997700 /nfs/dbraw/zinc/99/77/00/344997700.db2.gz VIUCMTZGWPXJNO-NSHDSACASA-N 0 0 239.388 2.059 10 0 BEAERN Cc1csc(N[C@H]2CCO[C@@H](C)C2)n1 ZINC000235672326 345006375 /nfs/dbraw/zinc/00/63/75/345006375.db2.gz QUJQREIDIAIFBS-IUCAKERBSA-N 0 0 212.318 2.431 10 0 BEAERN Cc1ccc(NCc2nnnn2C(C)C)cc1 ZINC000154600910 345046766 /nfs/dbraw/zinc/04/67/66/345046766.db2.gz ATTMPUHOJZKDPD-UHFFFAOYSA-N 0 0 231.303 2.175 10 0 BEAERN CCOC(=O)c1c(O)cccc1Br ZINC000238302096 345017227 /nfs/dbraw/zinc/01/72/27/345017227.db2.gz JEXQYDPQGVBGQB-UHFFFAOYSA-N 0 0 245.072 2.331 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCCF ZINC000154194067 345020637 /nfs/dbraw/zinc/02/06/37/345020637.db2.gz QBDHOXQRXRZCDR-CABZTGNLSA-N 0 0 237.274 2.027 10 0 BEAERN COC(=O)c1c(C)cc(N)cc1Br ZINC000238320822 345020642 /nfs/dbraw/zinc/02/06/42/345020642.db2.gz QFKLCIWHFLONLV-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CCc1cc(C(F)(F)F)nc(=S)[nH]1 ZINC000238317480 345021739 /nfs/dbraw/zinc/02/17/39/345021739.db2.gz XWCRNCFTUQRGDB-UHFFFAOYSA-N 0 0 208.208 2.347 10 0 BEAERN CONCc1ncc(Cl)cc1Cl ZINC000238355136 345028996 /nfs/dbraw/zinc/02/89/96/345028996.db2.gz KPPIHVOLBXLOHC-UHFFFAOYSA-N 0 0 207.060 2.039 10 0 BEAERN Nc1ccc2c(c1)CCN2C(=O)c1ccco1 ZINC000011847723 345030232 /nfs/dbraw/zinc/03/02/32/345030232.db2.gz IRGPEKKLHRMXSD-UHFFFAOYSA-N 0 0 228.251 2.065 10 0 BEAERN COc1ccc(C)c(Br)n1 ZINC000238361465 345032128 /nfs/dbraw/zinc/03/21/28/345032128.db2.gz FORSMPIAYBQWBN-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN COc1cc(C)nc(I)c1 ZINC000238384279 345036821 /nfs/dbraw/zinc/03/68/21/345036821.db2.gz QJWCEXXIPVWMPY-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN COc1cnc(F)cc1OC(F)(F)F ZINC000238409221 345042766 /nfs/dbraw/zinc/04/27/66/345042766.db2.gz SLWBJPJGSQSMRQ-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN Cc1noc(COc2ccc(C)cc2[C@@H](C)O)n1 ZINC000035630035 178815983 /nfs/dbraw/zinc/81/59/83/178815983.db2.gz JCGGDKPFTUXNIW-SECBINFHSA-N 0 0 248.282 2.319 10 0 BEAERN O=Cc1cc(Cl)nc(OC(F)F)c1 ZINC000238524916 345069699 /nfs/dbraw/zinc/06/96/99/345069699.db2.gz DACKHVBFUMVNFU-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN CCCC[C@@H](C(=O)OC)N1CCS[C@@H](C)C1 ZINC000221543700 259382148 /nfs/dbraw/zinc/38/21/48/259382148.db2.gz OZOZWMAQZZCPQZ-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN CC(C)c1cc(N[C@H](C)[C@@H](C)CO)ncn1 ZINC000125631135 345087363 /nfs/dbraw/zinc/08/73/63/345087363.db2.gz WRRZSTUHQWWXAR-VHSXEESVSA-N 0 0 223.320 2.029 10 0 BEAERN O=Cc1cncc(OC(F)(F)F)c1Cl ZINC000238543340 345074011 /nfs/dbraw/zinc/07/40/11/345074011.db2.gz AISWPRQGJBBNSK-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN NC(=O)c1c(Cl)cccc1OC(F)(F)F ZINC000238580392 345081726 /nfs/dbraw/zinc/08/17/26/345081726.db2.gz LXRGJEXGWWFDNN-UHFFFAOYSA-N 0 0 239.580 2.338 10 0 BEAERN Cc1ccc(CO)cc1OC(F)(F)F ZINC000238473084 345055065 /nfs/dbraw/zinc/05/50/65/345055065.db2.gz RYGMSNVRFOJUDC-UHFFFAOYSA-N 0 0 206.163 2.386 10 0 BEAERN CSc1ccccc1C(=O)COC(C)=O ZINC000146113932 345061256 /nfs/dbraw/zinc/06/12/56/345061256.db2.gz JCWZRCFSFJLLSF-UHFFFAOYSA-N 0 0 224.281 2.154 10 0 BEAERN FC(F)(F)c1cn2ccc(Cl)nc2n1 ZINC000238512395 345065279 /nfs/dbraw/zinc/06/52/79/345065279.db2.gz YWXPHQDVPHLCNF-UHFFFAOYSA-N 0 0 221.569 2.402 10 0 BEAERN Cc1cccc(CO)c1OC(F)(F)F ZINC000238520040 345066768 /nfs/dbraw/zinc/06/67/68/345066768.db2.gz VZGYUQZKCDCXRV-UHFFFAOYSA-N 0 0 206.163 2.386 10 0 BEAERN Oc1ccc(Cl)nc1OC(F)(F)F ZINC000238717864 345116776 /nfs/dbraw/zinc/11/67/76/345116776.db2.gz FBMPVGIUFKRFTG-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN OCc1cc(Cl)cnc1OC(F)(F)F ZINC000238720273 345117470 /nfs/dbraw/zinc/11/74/70/345117470.db2.gz NNQLQRGABNBCGI-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN O=c1cc[nH]c(OC(F)(F)F)c1Cl ZINC000238728734 345119375 /nfs/dbraw/zinc/11/93/75/345119375.db2.gz SADKTFSKTJSSOI-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN O=c1cc[nH]c(Cl)c1OC(F)(F)F ZINC000238728673 345119484 /nfs/dbraw/zinc/11/94/84/345119484.db2.gz DYUHHGMBACQCLK-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN OCc1nc(Cl)ccc1OC(F)(F)F ZINC000238730339 345120250 /nfs/dbraw/zinc/12/02/50/345120250.db2.gz VLISSJNTPZOJMI-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cc(OC(F)(F)F)cnc1Cl ZINC000238724711 345120616 /nfs/dbraw/zinc/12/06/16/345120616.db2.gz UYWLATIFPYDFLH-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN O=C(Nc1cnsc1)c1ccccc1 ZINC000238622162 345093828 /nfs/dbraw/zinc/09/38/28/345093828.db2.gz FVPCUMSGCQAZGQ-UHFFFAOYSA-N 0 0 204.254 2.395 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCO1 ZINC000155784186 345102445 /nfs/dbraw/zinc/10/24/45/345102445.db2.gz UIFFYGGVJNYXIG-VXGBXAGGSA-N 0 0 223.316 2.367 10 0 BEAERN Cc1ccc(SCc2ncon2)c(N)c1 ZINC000037193204 178828860 /nfs/dbraw/zinc/82/88/60/178828860.db2.gz RLSDVPDGPJVOSG-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN O[C@H]1CCOc2c(F)cc(Cl)cc21 ZINC000238693908 345111509 /nfs/dbraw/zinc/11/15/09/345111509.db2.gz NHLMUYWPPLVRFG-QMMMGPOBSA-N 0 0 202.612 2.295 10 0 BEAERN O=c1cc(OC(F)(F)F)[nH]cc1Cl ZINC000238708148 345114677 /nfs/dbraw/zinc/11/46/77/345114677.db2.gz DXPIKADEDZQPCN-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN CC[C@@H]1CCN(c2ncc(C=O)s2)C1 ZINC000166748746 345130846 /nfs/dbraw/zinc/13/08/46/345130846.db2.gz JMUMRRJAWKIBRD-MRVPVSSYSA-N 0 0 210.302 2.192 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)C[C@@H](O)C(C)C)o1 ZINC000155926496 178836348 /nfs/dbraw/zinc/83/63/48/178836348.db2.gz INQPYZHRKBWMNF-GHMZBOCLSA-N 0 0 239.315 2.172 10 0 BEAERN CCc1cnn2c1N[C@H](C)C[C@@H]2C(F)F ZINC000720939428 537891670 /nfs/dbraw/zinc/89/16/70/537891670.db2.gz DNZYCONWIQRQCD-HTRCEHHLSA-N 0 0 215.247 2.456 10 0 BEAERN FC(F)Cn1c(Cl)nnc1C1CC1 ZINC000148098752 345245773 /nfs/dbraw/zinc/24/57/73/345245773.db2.gz ZXFABFAHNQBPOA-UHFFFAOYSA-N 0 0 207.611 2.074 10 0 BEAERN [N-]=[N+]=NC(=O)C=Cc1cccc2c1OCCO2 ZINC000142726132 537895080 /nfs/dbraw/zinc/89/50/80/537895080.db2.gz WCOUPXBUFGOLLF-SNAWJCMRSA-N 0 0 231.211 2.308 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cnccn2)o1 ZINC000054765950 178845315 /nfs/dbraw/zinc/84/53/15/178845315.db2.gz QIDPNTOXRNZECC-SNVBAGLBSA-N 0 0 217.272 2.229 10 0 BEAERN C[C@]1(C(=O)Cc2ccco2)CCCCO1 ZINC000130689961 345281241 /nfs/dbraw/zinc/28/12/41/345281241.db2.gz LSWAHSDJWAZWLL-GFCCVEGCSA-N 0 0 208.257 2.350 10 0 BEAERN Clc1nnc(-c2ccncc2Cl)o1 ZINC000157781714 345281787 /nfs/dbraw/zinc/28/17/87/345281787.db2.gz SKXMCVTWRIMBAX-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN CCc1cc2n(n1)[C@H](C(F)F)C[C@H](C)N2 ZINC000720942606 537892799 /nfs/dbraw/zinc/89/27/99/537892799.db2.gz WQKWWPJXPCXBAU-XPUUQOCRSA-N 0 0 215.247 2.456 10 0 BEAERN CCc1ccsc1C(=O)N[C@H](C)[C@H](C)CO ZINC000131804133 345309229 /nfs/dbraw/zinc/30/92/29/345309229.db2.gz CBUQIPSRORVQEA-RKDXNWHRSA-N 0 0 241.356 2.057 10 0 BEAERN C[C@](O)(CO)c1ccc(Cl)cc1Cl ZINC000132844471 345348272 /nfs/dbraw/zinc/34/82/72/345348272.db2.gz SQBTXBBTARWTHV-VIFPVBQESA-N 0 0 221.083 2.193 10 0 BEAERN Cc1ccc([C@@H](c2nn[nH]n2)C(C)C)cc1 ZINC000408494427 345377823 /nfs/dbraw/zinc/37/78/23/345377823.db2.gz NVKQRYHIJSAWLI-NSHDSACASA-N 0 0 216.288 2.296 10 0 BEAERN Cc1ccc([C@@H](N)C(F)(F)F)c(N)c1 ZINC000072191428 178858584 /nfs/dbraw/zinc/85/85/84/178858584.db2.gz LMPCTLWWJMESKE-MRVPVSSYSA-N 0 0 204.195 2.139 10 0 BEAERN C[C@@H]1OCC[C@@]1(O)CCc1cccs1 ZINC000134435127 345413040 /nfs/dbraw/zinc/41/30/40/345413040.db2.gz QVVAFOJIUAALDT-ONGXEEELSA-N 0 0 212.314 2.221 10 0 BEAERN Cc1cnc(Cl)nc1N[C@H]1CCO[C@H]1C ZINC000134584594 345416103 /nfs/dbraw/zinc/41/61/03/345416103.db2.gz BMUNVKYCQZMCKC-YUMQZZPRSA-N 0 0 227.695 2.028 10 0 BEAERN C[C@H](c1ccco1)[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251248913 345491368 /nfs/dbraw/zinc/49/13/68/345491368.db2.gz IICQAJHHVLYTTL-ZJUUUORDSA-N 0 0 223.272 2.280 10 0 BEAERN O[C@@H]1CCCCC[C@H]1Nc1ncnc2c1CCC2 ZINC000135817780 345459388 /nfs/dbraw/zinc/45/93/88/345459388.db2.gz KLPSDMGCFFTPOB-CHWSQXEVSA-N 0 0 247.342 2.071 10 0 BEAERN Brc1cnn(Cc2cncs2)c1 ZINC000159743237 345472542 /nfs/dbraw/zinc/47/25/42/345472542.db2.gz FQKIJDAWRHCNLF-UHFFFAOYSA-N 0 0 244.117 2.150 10 0 BEAERN Cc1ccc([C@@](C)([NH2+]C2CC2)C(=O)[O-])cc1 ZINC000037183445 178880238 /nfs/dbraw/zinc/88/02/38/178880238.db2.gz ZFHOKJJEAOKMGH-CYBMUJFWSA-N 0 0 219.284 2.047 10 0 BEAERN CC1CC(C(=O)NCCc2ccc(O)cc2)C1 ZINC000084926619 345529889 /nfs/dbraw/zinc/52/98/89/345529889.db2.gz ODRWTHZPJQHDRY-UHFFFAOYSA-N 0 0 233.311 2.097 10 0 BEAERN CC[C@H](Cn1cc(N)cn1)CC(F)(F)F ZINC000402748394 537898658 /nfs/dbraw/zinc/89/86/58/537898658.db2.gz UQAYZPURKSJAOV-ZETCQYMHSA-N 0 0 221.226 2.444 10 0 BEAERN O[C@H](CNc1ncccc1F)C1CCCC1 ZINC000084487095 345514642 /nfs/dbraw/zinc/51/46/42/345514642.db2.gz CHFKSMRBZVBSPA-LLVKDONJSA-N 0 0 224.279 2.184 10 0 BEAERN C[C@H]1CN(c2ncccc2F)CCS1 ZINC000084486042 345514863 /nfs/dbraw/zinc/51/48/63/345514863.db2.gz FHTGGVIACGCBAC-QMMMGPOBSA-N 0 0 212.293 2.162 10 0 BEAERN C[C@@H](Nc1nnc(C(F)F)s1)[C@@H]1CCCO1 ZINC000091427256 345592086 /nfs/dbraw/zinc/59/20/86/345592086.db2.gz ZOPKEJSKDPFAAU-RITPCOANSA-N 0 0 249.286 2.455 10 0 BEAERN C[C@H](Nc1nnc(C2CC2)s1)[C@@H]1CCCO1 ZINC000091426640 345592351 /nfs/dbraw/zinc/59/23/51/345592351.db2.gz JGQPTQZMCHMFEU-CBAPKCEASA-N 0 0 239.344 2.395 10 0 BEAERN CCCc1nnc(N[C@@H](C)[C@@H]2CCCO2)s1 ZINC000091427167 345592511 /nfs/dbraw/zinc/59/25/11/345592511.db2.gz PKDDNMMIDCPAEO-IUCAKERBSA-N 0 0 241.360 2.470 10 0 BEAERN Cc1ccc([C@H](C)NCC(=O)NC(C)(C)C)o1 ZINC000037977809 178888002 /nfs/dbraw/zinc/88/80/02/178888002.db2.gz QILPVWKWNSXVRB-JTQLQIEISA-N 0 0 238.331 2.153 10 0 BEAERN CC[C@H](Cn1ccc(N)n1)CC(F)(F)F ZINC000402782360 537898859 /nfs/dbraw/zinc/89/88/59/537898859.db2.gz UEADHKSUZCWRGQ-ZETCQYMHSA-N 0 0 221.226 2.274 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2c(C)n[nH]c2C)o1 ZINC000038097878 178886700 /nfs/dbraw/zinc/88/67/00/178886700.db2.gz HHECGELJDMZOGV-QMMMGPOBSA-N 0 0 247.298 2.419 10 0 BEAERN OC[C@@H](Nc1ncccn1)c1ccc(Cl)cc1 ZINC000092960968 345649134 /nfs/dbraw/zinc/64/91/34/345649134.db2.gz WDZSFXNPWCUEJL-LLVKDONJSA-N 0 0 249.701 2.276 10 0 BEAERN C[C@H]1CC[C@@H]1Nc1ncc(Br)cn1 ZINC000114787030 345676257 /nfs/dbraw/zinc/67/62/57/345676257.db2.gz OFYADMQOPCQSRI-XPUUQOCRSA-N 0 0 242.120 2.450 10 0 BEAERN Cc1ccc([C@H](C)O)c(OCc2ncon2)c1 ZINC000104335332 178901491 /nfs/dbraw/zinc/90/14/91/178901491.db2.gz ZNYMHCAURBVTQK-VIFPVBQESA-N 0 0 234.255 2.010 10 0 BEAERN O[C@]12CCCC[C@@H]1COC[C@H]2Nc1ccccc1 ZINC000112939354 345752635 /nfs/dbraw/zinc/75/26/35/345752635.db2.gz CLIVURPZGLPNCF-BPLDGKMQSA-N 0 0 247.338 2.419 10 0 BEAERN Nc1cc(Cl)ccc1O[C@@H]1CC[C@@H](CO)C1 ZINC000113653898 345754167 /nfs/dbraw/zinc/75/41/67/345754167.db2.gz INIORSSITPVKJU-PSASIEDQSA-N 0 0 241.718 2.462 10 0 BEAERN CC(=O)C(C#N)=NNc1ccc(Cl)cc1 ZINC000137898423 345704467 /nfs/dbraw/zinc/70/44/67/345704467.db2.gz XNIKINWDNNOOGC-GXDHUFHOSA-N 0 0 221.647 2.220 10 0 BEAERN Cc1cc(C)c(C)c2c1C[C@](C)(CO)O2 ZINC000114336778 345756810 /nfs/dbraw/zinc/75/68/10/345756810.db2.gz IIDYUCCUXOHCOQ-CYBMUJFWSA-N 0 0 206.285 2.298 10 0 BEAERN O=c1[nH]ccc2cc3cc(Cl)ccc3n21 ZINC000205912563 345757374 /nfs/dbraw/zinc/75/73/74/345757374.db2.gz JPPKQXLNPXPBPB-UHFFFAOYSA-N 0 0 218.643 2.434 10 0 BEAERN CC(C)(O)Cn1cnc2cc(Cl)ccc21 ZINC000205929512 345757377 /nfs/dbraw/zinc/75/73/77/345757377.db2.gz JKSULCIBZZWKRH-UHFFFAOYSA-N 0 0 224.691 2.461 10 0 BEAERN CCOC(=O)CCCNc1ccc(Cl)cn1 ZINC000082738081 345715694 /nfs/dbraw/zinc/71/56/94/345715694.db2.gz QVSGCCGUIJLKTC-UHFFFAOYSA-N 0 0 242.706 2.490 10 0 BEAERN CCOC(=O)c1ccc2ccc(NC)nc2c1 ZINC000206684617 345758002 /nfs/dbraw/zinc/75/80/02/345758002.db2.gz LYQHGTKHNIDWOL-UHFFFAOYSA-N 0 0 230.267 2.453 10 0 BEAERN COc1ccccc1[C@@H](C)NC(=O)CCC(C)=O ZINC000201884576 345729822 /nfs/dbraw/zinc/72/98/22/345729822.db2.gz JZYLMOHFAPLKBC-LLVKDONJSA-N 0 0 249.310 2.242 10 0 BEAERN O=C(NC/C=C\c1ccccc1)C1CC1 ZINC000201963014 345806361 /nfs/dbraw/zinc/80/63/61/345806361.db2.gz ACLAZDCOQAQFOP-DAXSKMNVSA-N 0 0 201.269 2.226 10 0 BEAERN Nc1ncn(-c2cccc(Cl)c2Cl)n1 ZINC000307511602 345807246 /nfs/dbraw/zinc/80/72/46/345807246.db2.gz CGEAOUDQGNFJFZ-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN CCOC(=O)C[C@@H]1CCCc2ncccc21 ZINC000168783044 345823101 /nfs/dbraw/zinc/82/31/01/345823101.db2.gz PQKVVIFCNGXJEH-JTQLQIEISA-N 0 0 219.284 2.455 10 0 BEAERN COc1cc2c(c(C(C)(C)C)c1)O[C@H](CO)C2 ZINC000168106742 345810199 /nfs/dbraw/zinc/81/01/99/345810199.db2.gz VITBCRLXWVDMAN-NSHDSACASA-N 0 0 236.311 2.289 10 0 BEAERN CCCCC(=O)CP(=O)(OC)OC ZINC000136299964 345811192 /nfs/dbraw/zinc/81/11/92/345811192.db2.gz RHPYJNBYNQILFP-UHFFFAOYSA-N 0 0 208.194 2.232 10 0 BEAERN CCC1=C(c2ccc(F)cc2)CNC1=O ZINC000034061615 345813439 /nfs/dbraw/zinc/81/34/39/345813439.db2.gz KJMCXOMCAMCXNM-UHFFFAOYSA-N 0 0 205.232 2.119 10 0 BEAERN COc1ccc2c(c1)C(=O)c1cccnc1CO2 ZINC000033966815 345814030 /nfs/dbraw/zinc/81/40/30/345814030.db2.gz GCADCMKFQZVUHX-UHFFFAOYSA-N 0 0 241.246 2.214 10 0 BEAERN CC(=O)Oc1c(C)c(C)c(O)c(C(C)=O)c1C ZINC000033994517 345814764 /nfs/dbraw/zinc/81/47/64/345814764.db2.gz QWOZODRKELOQJC-UHFFFAOYSA-N 0 0 236.267 2.445 10 0 BEAERN CC(=O)[C@@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000034082891 345816580 /nfs/dbraw/zinc/81/65/80/345816580.db2.gz ODRQWMLXAJNRGN-CQSZACIVSA-N 0 0 241.290 2.073 10 0 BEAERN CC(=O)C1(c2cccc(O)c2)CCOCC1 ZINC000034116943 345816797 /nfs/dbraw/zinc/81/67/97/345816797.db2.gz PRBXOTLPTMBHFG-UHFFFAOYSA-N 0 0 220.268 2.029 10 0 BEAERN Cc1nc(C=O)cn1Cc1ccccc1 ZINC000034103312 345817123 /nfs/dbraw/zinc/81/71/23/345817123.db2.gz IJTDRFVPECRCSL-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN CCOC(=O)[C@@H]1COc2cc(C)c(C)cc2O1 ZINC000034133735 345817732 /nfs/dbraw/zinc/81/77/32/345817732.db2.gz QUQVCZDDYJSMHK-LBPRGKRZSA-N 0 0 236.267 2.006 10 0 BEAERN CCC(=O)Nc1cc(C)c(C(=O)OC)cc1C ZINC000136734851 345819658 /nfs/dbraw/zinc/81/96/58/345819658.db2.gz ZKMZUSGHKHODRV-UHFFFAOYSA-N 0 0 235.283 2.439 10 0 BEAERN Cc1ccc([C@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)cc1 ZINC000035630241 178920791 /nfs/dbraw/zinc/92/07/91/178920791.db2.gz ONMLMWJWTDPENE-NEPJUHHUSA-N 0 0 219.284 2.263 10 0 BEAERN COC(=O)[C@](C)(O)c1cc(Cl)ccc1Cl ZINC000050974126 345767307 /nfs/dbraw/zinc/76/73/07/345767307.db2.gz MJQHBILZWZYNTH-SNVBAGLBSA-N 0 0 249.093 2.374 10 0 BEAERN COC(=O)C[C@@H]1c2cc(OC)ccc2N[C@H]1C ZINC000163520001 345772584 /nfs/dbraw/zinc/77/25/84/345772584.db2.gz ALAVRIFVODNBPL-WPRPVWTQSA-N 0 0 235.283 2.156 10 0 BEAERN OC[C@H](F)Cc1ccc(Br)cc1 ZINC000258030666 345779001 /nfs/dbraw/zinc/77/90/01/345779001.db2.gz NVAVPZNJOGJCOP-SECBINFHSA-N 0 0 233.080 2.322 10 0 BEAERN OC[C@H](F)Cc1cccc(Br)c1 ZINC000258109717 345780076 /nfs/dbraw/zinc/78/00/76/345780076.db2.gz UEDAPYNCSFPPRA-SECBINFHSA-N 0 0 233.080 2.322 10 0 BEAERN C[C@H]1CCn2cc([C@H]3CCCC[NH2+]3)nc2C1 ZINC000258142961 345780197 /nfs/dbraw/zinc/78/01/97/345780197.db2.gz DDPRCFAYPXNLIP-WDEREUQCSA-N 0 0 219.332 2.280 10 0 BEAERN OC[C@@H](F)Cc1cccc(Br)c1 ZINC000258111328 345780275 /nfs/dbraw/zinc/78/02/75/345780275.db2.gz UEDAPYNCSFPPRA-VIFPVBQESA-N 0 0 233.080 2.322 10 0 BEAERN CCN(C(C)=O)c1cccc2c(C=O)nccc21 ZINC000167550864 345793068 /nfs/dbraw/zinc/79/30/68/345793068.db2.gz GFQOQDSVWXHASL-UHFFFAOYSA-N 0 0 242.278 2.420 10 0 BEAERN Cc1ccc([C@H]2C=CS(=O)(=O)C2)cc1 ZINC000040173699 178917145 /nfs/dbraw/zinc/91/71/45/178917145.db2.gz QAFCTBMFTKLAQO-NSHDSACASA-N 0 0 208.282 2.021 10 0 BEAERN Cc1c(Cl)ncnc1Sc1ncc[nH]1 ZINC000235757320 345843920 /nfs/dbraw/zinc/84/39/20/345843920.db2.gz FPLFCKCNUFGSSF-UHFFFAOYSA-N 0 0 226.692 2.313 10 0 BEAERN COc1ccc([C@@H](O)C(C)(C)C)c(O)c1 ZINC000169391194 345846469 /nfs/dbraw/zinc/84/64/69/345846469.db2.gz VRQYFXMGWBYZMX-LLVKDONJSA-N 0 0 210.273 2.480 10 0 BEAERN N#C[C@@H](O)CCc1ccc(Br)cc1 ZINC000140122701 345852900 /nfs/dbraw/zinc/85/29/00/345852900.db2.gz RBGNRJQUXQNRBX-JTQLQIEISA-N 0 0 240.100 2.266 10 0 BEAERN O=c1[nH]nc(-c2ccncc2)c2sccc21 ZINC000219833808 345860118 /nfs/dbraw/zinc/86/01/18/345860118.db2.gz ZWXOGVWLRWNZIN-UHFFFAOYSA-N 0 0 229.264 2.047 10 0 BEAERN CCOP(=O)(OCC)[C@H](C)C(=O)Cl ZINC000140876427 345824582 /nfs/dbraw/zinc/82/45/82/345824582.db2.gz JKFLEOKWOWWAMF-ZCFIWIBFSA-N 0 0 228.612 2.406 10 0 BEAERN COc1cccc2c1CC[C@@H](CC#N)C2=O ZINC000034409012 345827192 /nfs/dbraw/zinc/82/71/92/345827192.db2.gz WRCUQAVHOHUIMG-VIFPVBQESA-N 0 0 215.252 2.354 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Cc1ccccc1F ZINC000034417216 345828500 /nfs/dbraw/zinc/82/85/00/345828500.db2.gz MRXLZVUMXZNWMG-SECBINFHSA-N 0 0 238.258 2.137 10 0 BEAERN Cc1cc(Cn2cc(C)c(N)n2)cs1 ZINC000306204835 537913237 /nfs/dbraw/zinc/91/32/37/537913237.db2.gz WYOBLCUSDGIKOS-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN CN(C(=O)c1ccccc1CO)c1ccccc1 ZINC000034522227 345830904 /nfs/dbraw/zinc/83/09/04/345830904.db2.gz CMLCKMRDOVGTPQ-UHFFFAOYSA-N 0 0 241.290 2.456 10 0 BEAERN O=CNCC1c2ccccc2Cc2ccccc21 ZINC000034558094 345831420 /nfs/dbraw/zinc/83/14/20/345831420.db2.gz YOBACGXHFNVTHQ-UHFFFAOYSA-N 0 0 237.302 2.469 10 0 BEAERN Oc1cccc(O)c1CC[C@H](O)c1ccccn1 ZINC000034564886 345832108 /nfs/dbraw/zinc/83/21/08/345832108.db2.gz LMEAKGZWNPEGAI-AWEZNQCLSA-N 0 0 245.278 2.159 10 0 BEAERN Fc1cccc2c1CC[NH2+][C@@H]2CN1CCCC1 ZINC000034426625 345833051 /nfs/dbraw/zinc/83/30/51/345833051.db2.gz MGZOKHUYHHZDPH-CQSZACIVSA-N 0 0 234.318 2.108 10 0 BEAERN CCOC(=O)[C@H]1CNc2cc(C)cc(C)c2O1 ZINC000034432893 345833466 /nfs/dbraw/zinc/83/34/66/345833466.db2.gz VTTSQECDWIWOIC-LLVKDONJSA-N 0 0 235.283 2.039 10 0 BEAERN Cc1c(O)c(C=O)ccc1O[C@H]1CCCCO1 ZINC000034457904 345834772 /nfs/dbraw/zinc/83/47/72/345834772.db2.gz YOBHBSMPSNFVMX-LBPRGKRZSA-N 0 0 236.267 2.419 10 0 BEAERN Cc1c(O)c(C=O)ccc1O[C@@H]1CCCCO1 ZINC000034457903 345834787 /nfs/dbraw/zinc/83/47/87/345834787.db2.gz YOBHBSMPSNFVMX-GFCCVEGCSA-N 0 0 236.267 2.419 10 0 BEAERN CC#CC[C@@H](C)C(=O)CP(=O)(OC)OC ZINC000034613948 345837575 /nfs/dbraw/zinc/83/75/75/345837575.db2.gz QAQKMSOVMMCNSE-SECBINFHSA-N 0 0 232.216 2.091 10 0 BEAERN Cc1cc(C=O)nc(C)c1Br ZINC000143487682 345865986 /nfs/dbraw/zinc/86/59/86/345865986.db2.gz NZTJNZDUBCTGBV-UHFFFAOYSA-N 0 0 214.062 2.273 10 0 BEAERN Cc1cc(C)c(Br)c(C=O)n1 ZINC000143526386 345866037 /nfs/dbraw/zinc/86/60/37/345866037.db2.gz OKGKDZKSWDUVEC-UHFFFAOYSA-N 0 0 214.062 2.273 10 0 BEAERN Cc1ccc(F)cc1CC(=O)C(C)(C)O ZINC000235780694 345869698 /nfs/dbraw/zinc/86/96/98/345869698.db2.gz NYJNJPNBVMGJQY-UHFFFAOYSA-N 0 0 210.248 2.017 10 0 BEAERN CCN(Cc1ccccc1)c1ccc(N)nn1 ZINC000077342473 345873809 /nfs/dbraw/zinc/87/38/09/345873809.db2.gz QNAPBNGUGIUJJE-UHFFFAOYSA-N 0 0 228.299 2.085 10 0 BEAERN O=Cc1nccn1Cc1ccc(Cl)s1 ZINC000051003452 345875730 /nfs/dbraw/zinc/87/57/30/345875730.db2.gz RUMYKOUFCAQHJG-UHFFFAOYSA-N 0 0 226.688 2.459 10 0 BEAERN NNC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)CC1 ZINC000142962583 345881112 /nfs/dbraw/zinc/88/11/12/345881112.db2.gz QIDDAWYMEOPKOZ-JGZJWPJOSA-N 0 0 236.290 2.089 10 0 BEAERN CCn1ccnc1C[C@@]1(C)CCC(=O)C1 ZINC000166877268 345925428 /nfs/dbraw/zinc/92/54/28/345925428.db2.gz HYWYVDKNSSTVGW-LBPRGKRZSA-N 0 0 206.289 2.205 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CC1CCC2CC1 ZINC000307094021 537920698 /nfs/dbraw/zinc/92/06/98/537920698.db2.gz BSEQNTQIUUFVIA-BRDNZBMFSA-N 0 0 230.691 2.074 10 0 BEAERN CCOC(=O)c1cccc2ccn(C)c21 ZINC000145024511 345928718 /nfs/dbraw/zinc/92/87/18/345928718.db2.gz AYLDECYKZLNYSY-UHFFFAOYSA-N 0 0 203.241 2.355 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CC1CCC2CC1 ZINC000307094028 537920738 /nfs/dbraw/zinc/92/07/38/537920738.db2.gz BSEQNTQIUUFVIA-PKRIEVTBSA-N 0 0 230.691 2.074 10 0 BEAERN O=C1C[C@@H]2CC[C@H]1[C@H](O)[C@H]2c1ccccc1 ZINC000143765907 345912187 /nfs/dbraw/zinc/91/21/87/345912187.db2.gz VBYAEPOBIZACRL-XCCSTKFXSA-N 0 0 216.280 2.130 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)N1CC=CCN1 ZINC000628220000 345954254 /nfs/dbraw/zinc/95/42/54/345954254.db2.gz GSBZWSTUQGXSHO-GFCCVEGCSA-N 0 0 224.348 2.352 10 0 BEAERN Cc1ccc(Sc2ncc[nH]2)cc1N ZINC000235910095 345958593 /nfs/dbraw/zinc/95/85/93/345958593.db2.gz SJXULWVSPPRVNU-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN O=C([O-])CC1CC[NH+](C2CCSCC2)CC1 ZINC000086573435 345936442 /nfs/dbraw/zinc/93/64/42/345936442.db2.gz VFTUGPYLYKHGJH-UHFFFAOYSA-N 0 0 243.372 2.069 10 0 BEAERN C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790546 345938291 /nfs/dbraw/zinc/93/82/91/345938291.db2.gz QMNJMLCCYQHCSA-AAEUAGOBSA-N 0 0 233.311 2.024 10 0 BEAERN CCOC(=O)C=C[C@@H]1CCC(=O)C(=O)C1 ZINC000145689071 345940671 /nfs/dbraw/zinc/94/06/71/345940671.db2.gz HEZFDDYTGIWAMM-JQTRYQTASA-N 0 0 210.229 2.009 10 0 BEAERN COc1cccc(N)c1C(=O)OC(C)(C)C ZINC000088170046 345943135 /nfs/dbraw/zinc/94/31/35/345943135.db2.gz PZZWUHKYAIEBAO-UHFFFAOYSA-N 0 0 223.272 2.233 10 0 BEAERN CCCCCn1c2ccccc2c(=O)oc1=O ZINC000005234847 345947519 /nfs/dbraw/zinc/94/75/19/345947519.db2.gz JRKZMGQUTSBYPR-UHFFFAOYSA-N 0 0 233.267 2.145 10 0 BEAERN Cc1cc(Sc2ncc[nH]2)nc(Cl)n1 ZINC000235854951 345949220 /nfs/dbraw/zinc/94/92/20/345949220.db2.gz GHVXVZSNCNYRGO-UHFFFAOYSA-N 0 0 226.692 2.313 10 0 BEAERN Cc1ccc2c(c1)[C@H](NC(=O)C(C)(C)O)[C@@H](C)C2 ZINC000191887746 178954146 /nfs/dbraw/zinc/95/41/46/178954146.db2.gz ZRVXYDXIRBWKRL-GXFFZTMASA-N 0 0 247.338 2.115 10 0 BEAERN CCc1nn(C[C@H]2C[C@@H]2C)c(CC)c1N ZINC000722671233 537929602 /nfs/dbraw/zinc/92/96/02/537929602.db2.gz WGVQHYKJTMDMSI-DTWKUNHWSA-N 0 0 207.321 2.246 10 0 BEAERN Cc1cc(N)ccc1Oc1ncns1 ZINC000148872446 346061731 /nfs/dbraw/zinc/06/17/31/346061731.db2.gz AOQLOVPMAVSIPQ-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN CCn1c(=S)[nH]c2cc(Cl)cnc21 ZINC000148577625 346037144 /nfs/dbraw/zinc/03/71/44/346037144.db2.gz SNZRCAAQNVJQSK-UHFFFAOYSA-N 0 0 213.693 2.393 10 0 BEAERN COc1ccc(C(F)(F)F)c(CC#N)c1N ZINC000390491861 346073267 /nfs/dbraw/zinc/07/32/67/346073267.db2.gz PSLIROSKRANSBM-UHFFFAOYSA-N 0 0 230.189 2.362 10 0 BEAERN CC1(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000149031877 346076921 /nfs/dbraw/zinc/07/69/21/346076921.db2.gz WCCFWDBJUNJDBQ-UHFFFAOYSA-N 0 0 220.297 2.308 10 0 BEAERN COc1cc(O)ccc1-c1c(C)cnnc1C ZINC000149524962 346120007 /nfs/dbraw/zinc/12/00/07/346120007.db2.gz OMSPYGKUWICOPP-UHFFFAOYSA-N 0 0 230.267 2.475 10 0 BEAERN COC(=O)C1(C[C@@H]2CO2)C[C@H](C)C[C@@H](C)C1 ZINC000669371827 537948529 /nfs/dbraw/zinc/94/85/29/537948529.db2.gz ASEQTDBXIWOYQX-GMTAPVOTSA-N 0 0 226.316 2.391 10 0 BEAERN COC(=O)c1cccc(C(=O)CCSC)c1 ZINC000390594181 346130494 /nfs/dbraw/zinc/13/04/94/346130494.db2.gz TZHORRNTAIWOBK-UHFFFAOYSA-N 0 0 238.308 2.409 10 0 BEAERN Clc1cnc2c(c1)NCCN2C1CC1 ZINC000149608264 346131608 /nfs/dbraw/zinc/13/16/08/346131608.db2.gz DSBJZPARKWCREZ-UHFFFAOYSA-N 0 0 209.680 2.129 10 0 BEAERN Clc1cnc2c(c1)NC[C@@H](C1CC1)N2 ZINC000149613524 346132318 /nfs/dbraw/zinc/13/23/18/346132318.db2.gz CVNTURUGEDNKOC-VIFPVBQESA-N 0 0 209.680 2.351 10 0 BEAERN CNS(=O)(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000669375170 537953430 /nfs/dbraw/zinc/95/34/30/537953430.db2.gz FUZANQURCPLYAU-LBPRGKRZSA-N 0 0 241.356 2.323 10 0 BEAERN Cc1nc2c(Cl)cc(F)cc2c(=O)[nH]1 ZINC000235931494 346172380 /nfs/dbraw/zinc/17/23/80/346172380.db2.gz VPLGLMLDZDWLBE-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN Cc1cccc(C[C@@H](O)C(F)(F)F)c1 ZINC000061893905 346174703 /nfs/dbraw/zinc/17/47/03/346174703.db2.gz QYVZZEJSAXDSFV-SECBINFHSA-N 0 0 204.191 2.461 10 0 BEAERN O=C(c1ccc2c(c1)CCCC2)N1CC=CCN1 ZINC000628226921 346174713 /nfs/dbraw/zinc/17/47/13/346174713.db2.gz KKZOTYAJRFBURK-UHFFFAOYSA-N 0 0 242.322 2.082 10 0 BEAERN CC(C)c1ccc(C(=O)N2CC=CCN2)cc1 ZINC000628227464 346175400 /nfs/dbraw/zinc/17/54/00/346175400.db2.gz HNJZFGBVMYRZAG-UHFFFAOYSA-N 0 0 230.311 2.327 10 0 BEAERN Cc1ncc(-c2nc(Br)no2)s1 ZINC000235961825 346176176 /nfs/dbraw/zinc/17/61/76/346176176.db2.gz LTWPQIZHXQNPCF-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN COC(=O)[C@]1(C[C@H]2CO2)CC(C)(C)C[C@H]1C ZINC000669372688 537950648 /nfs/dbraw/zinc/95/06/48/537950648.db2.gz WMFYDFKEVGWFAK-GBIKHYSHSA-N 0 0 226.316 2.391 10 0 BEAERN Cc1ccc(-c2ccc(F)o2)c(CO)n1 ZINC000669372704 537950703 /nfs/dbraw/zinc/95/07/03/537950703.db2.gz WYSWFAWYIKSRPS-UHFFFAOYSA-N 0 0 207.204 2.281 10 0 BEAERN C[C@@H](NCc1ccccn1)c1cncc(F)c1 ZINC000151067356 192370850 /nfs/dbraw/zinc/37/08/50/192370850.db2.gz VMYLCSYLANECDO-SNVBAGLBSA-N 0 0 231.274 2.467 10 0 BEAERN COc1ccc([C@@H](O)c2cccnc2)cc1 ZINC000034116744 346199091 /nfs/dbraw/zinc/19/90/91/346199091.db2.gz LUJXIFUKAWFOTD-CYBMUJFWSA-N 0 0 215.252 2.172 10 0 BEAERN Cc1cccc(-n2nnc(CO)c2C(C)(C)C)c1 ZINC000045892066 179002015 /nfs/dbraw/zinc/00/20/15/179002015.db2.gz FJYRGHOUODRERU-UHFFFAOYSA-N 0 0 245.326 2.366 10 0 BEAERN CC[C@H](NN)c1cscc1Br ZINC000167051357 346185801 /nfs/dbraw/zinc/18/58/01/346185801.db2.gz KSUQYTGJSFSLAG-ZETCQYMHSA-N 0 0 235.150 2.425 10 0 BEAERN CN1C(=S)N=NC1c1ccoc1Cl ZINC000236086302 346190986 /nfs/dbraw/zinc/19/09/86/346190986.db2.gz MKJUAVHWXCMDDK-UHFFFAOYSA-N 0 0 215.665 2.017 10 0 BEAERN Cn1nccc1-c1csc(Br)n1 ZINC000236092754 346191003 /nfs/dbraw/zinc/19/10/03/346191003.db2.gz KVGUMLPPDZVKFJ-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN Clc1nsc(-c2cncs2)n1 ZINC000236081105 346191015 /nfs/dbraw/zinc/19/10/15/346191015.db2.gz PCEJSFPCEQAEJM-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN Cn1ncc(Cl)c1[C@@H](O)[C@@H]1CC1(C)C ZINC000236084554 346191018 /nfs/dbraw/zinc/19/10/18/346191018.db2.gz KKNKPDXQYZSFFO-RCOVLWMOSA-N 0 0 214.696 2.153 10 0 BEAERN C[C@H]1C[C@@H]1CNc1nc(Cl)nnc1Cl ZINC000167217483 346214396 /nfs/dbraw/zinc/21/43/96/346214396.db2.gz AKWQWVZCFNDRFB-CRCLSJGQSA-N 0 0 233.102 2.246 10 0 BEAERN Cc1cccc(=O)n1CCNc1cccc(F)c1 ZINC000053534163 179003411 /nfs/dbraw/zinc/00/34/11/179003411.db2.gz BLABYJZPVNNKRO-UHFFFAOYSA-N 0 0 246.285 2.408 10 0 BEAERN Nc1cnc(-c2occc2Br)nc1 ZINC000236359869 346229313 /nfs/dbraw/zinc/22/93/13/346229313.db2.gz OTADTMYSXAOPNE-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Nc1cc(NC[C@H]2CCCS2)sn1 ZINC000236363467 346232491 /nfs/dbraw/zinc/23/24/91/346232491.db2.gz UCAQOXJLCJKGEZ-ZCFIWIBFSA-N 0 0 215.347 2.033 10 0 BEAERN Cc1cccc(C(=O)N(CCO)C(C)C)c1C ZINC000036792854 179006259 /nfs/dbraw/zinc/00/62/59/179006259.db2.gz ASHKOHIIVOSTRR-UHFFFAOYSA-N 0 0 235.327 2.146 10 0 BEAERN NCc1ncc(-c2ccoc2Br)o1 ZINC000236273739 346217773 /nfs/dbraw/zinc/21/77/73/346217773.db2.gz IJZUMSGAOCOACP-UHFFFAOYSA-N 0 0 243.060 2.156 10 0 BEAERN O=C1CCOC[C@H]1CCc1ccsc1 ZINC000236414034 346237954 /nfs/dbraw/zinc/23/79/54/346237954.db2.gz IOPUNYZBBOKRKM-SNVBAGLBSA-N 0 0 210.298 2.286 10 0 BEAERN CC1CC(C(=O)N[C@](C)(CO)c2ccccc2)C1 ZINC000616807687 346240503 /nfs/dbraw/zinc/24/05/03/346240503.db2.gz YOKIJYZCAUMQOV-KOHJWAIASA-N 0 0 247.338 2.056 10 0 BEAERN O=C([C@H](O)c1ccccc1)C1CCCC1 ZINC000236508731 346245522 /nfs/dbraw/zinc/24/55/22/346245522.db2.gz GLKCZBJRZSDOHK-GFCCVEGCSA-N 0 0 204.269 2.479 10 0 BEAERN O[C@H](c1ccc(Cl)o1)C1CCOCC1 ZINC000236537324 346247651 /nfs/dbraw/zinc/24/76/51/346247651.db2.gz BTYMRLCZVHHECJ-JTQLQIEISA-N 0 0 216.664 2.393 10 0 BEAERN Cc1cccc(C(=O)NC(C)(C)C)c1N ZINC000022141004 179013911 /nfs/dbraw/zinc/01/39/11/179013911.db2.gz YILVWSCPLVWROP-UHFFFAOYSA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@@H](CC1CCCCC1)S(=O)(=O)NC ZINC000669376425 537961202 /nfs/dbraw/zinc/96/12/02/537961202.db2.gz RUZFAOQDDMPIKY-NSHDSACASA-N 0 0 233.377 2.285 10 0 BEAERN CCCCOc1ccc(C(N)=S)cc1 ZINC000005592428 346266878 /nfs/dbraw/zinc/26/68/78/346266878.db2.gz RKLBTNGLKCXLKO-UHFFFAOYSA-N 0 0 209.314 2.500 10 0 BEAERN C[C@@H]1CC[C@@](CC(=O)OC(C)(C)C)(ON)C1 ZINC000675052562 537963790 /nfs/dbraw/zinc/96/37/90/537963790.db2.gz BJYZPGKIKYMFFR-BXKDBHETSA-N 0 0 229.320 2.167 10 0 BEAERN CCOC(CC(=O)[C@@H](C)CC)OCC ZINC000308548651 537964092 /nfs/dbraw/zinc/96/40/92/537964092.db2.gz OYWOINUDWKHMMQ-VIFPVBQESA-N 0 0 202.294 2.391 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000225666114 179021035 /nfs/dbraw/zinc/02/10/35/179021035.db2.gz IYXZVDIMODEALI-ZIAGYGMSSA-N 0 0 247.338 2.276 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)[C@H](C)CO)c1C ZINC000133487693 179021255 /nfs/dbraw/zinc/02/12/55/179021255.db2.gz NCOZRLCRENVFNR-PWSUYJOCSA-N 0 0 235.327 2.050 10 0 BEAERN C[C@@H]1CC(=O)c2cc(Cl)ccc2[S@@]1=O ZINC000034432159 346281844 /nfs/dbraw/zinc/28/18/44/346281844.db2.gz GFTINLQPJYHDSC-RCNPXXIZSA-N 0 0 228.700 2.423 10 0 BEAERN COC(=O)[C@@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC000034472726 346294347 /nfs/dbraw/zinc/29/43/47/346294347.db2.gz UJWHJQXDARGAAH-LBPRGKRZSA-N 0 0 235.327 2.027 10 0 BEAERN CCOC(=O)c1cccnc1OC(F)(F)F ZINC000390673639 346297699 /nfs/dbraw/zinc/29/76/99/346297699.db2.gz ULMUPKZHNCXWGH-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN CCCC(=O)NCC(=O)Nc1cc(C)ccc1C ZINC000045884905 168548823 /nfs/dbraw/zinc/54/88/23/168548823.db2.gz FUOZFWKMHGPAEC-UHFFFAOYSA-N 0 0 248.326 2.158 10 0 BEAERN CC(C)NC(=O)Nc1cccc2c1CCN2 ZINC000669378384 537967254 /nfs/dbraw/zinc/96/72/54/537967254.db2.gz CJOVPHYEIAWPMW-UHFFFAOYSA-N 0 0 219.288 2.185 10 0 BEAERN O=C(N1C[C@@H]2CCC[C@@H]21)N1CCCCCC1 ZINC000641747468 362674006 /nfs/dbraw/zinc/67/40/06/362674006.db2.gz JRSBMNBAUPRZCO-RYUDHWBXSA-N 0 0 222.332 2.467 10 0 BEAERN Cc1cc(N)c(Cl)cc1N1CCCC1=O ZINC000078592618 537967905 /nfs/dbraw/zinc/96/79/05/537967905.db2.gz OEBJMFHDKOSECF-UHFFFAOYSA-N 0 0 224.691 2.357 10 0 BEAERN Cc1cccc(C)c1OCc1nnsc1N ZINC000050830599 179047508 /nfs/dbraw/zinc/04/75/08/179047508.db2.gz XFBIRQKZYVEFSI-UHFFFAOYSA-N 0 0 235.312 2.316 10 0 BEAERN O=c1cnc(-c2cscc2C(F)F)c[nH]1 ZINC000669378369 537968953 /nfs/dbraw/zinc/96/89/53/537968953.db2.gz BPUGROXGYYGSRU-UHFFFAOYSA-N 0 0 228.223 2.436 10 0 BEAERN C[C@@]12CCCC[C@@H]1N(C(=O)CO)c1ccccc12 ZINC000334285883 133613733 /nfs/dbraw/zinc/61/37/33/133613733.db2.gz BYMNDGRMXAYYLH-ZFWWWQNUSA-N 0 0 245.322 2.226 10 0 BEAERN Cc1cccc(CCCSC[C@H](O)CO)c1 ZINC000182364535 179056745 /nfs/dbraw/zinc/05/67/45/179056745.db2.gz XLIJLTAOQJRWKC-CYBMUJFWSA-N 0 0 240.368 2.014 10 0 BEAERN Cc1cccc(CCNC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075980026 179057529 /nfs/dbraw/zinc/05/75/29/179057529.db2.gz XSNHXFCTSMAQNN-WCQYABFASA-N 0 0 232.327 2.245 10 0 BEAERN Cc1cccc(CNC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000187909730 179086452 /nfs/dbraw/zinc/08/64/52/179086452.db2.gz LOVPZNAHHLJHEL-GXTWGEPZSA-N 0 0 247.338 2.426 10 0 BEAERN NN[C@H](c1ccc(Cl)nc1)C1CCC1 ZINC000229621817 346441903 /nfs/dbraw/zinc/44/19/03/346441903.db2.gz QHPJUWRLNFASNB-JTQLQIEISA-N 0 0 211.696 2.040 10 0 BEAERN Cc1cccc(CNCC(F)(F)F)n1 ZINC000037973950 179090146 /nfs/dbraw/zinc/09/01/46/179090146.db2.gz FIMLGYMLRGVVBK-UHFFFAOYSA-N 0 0 204.195 2.042 10 0 BEAERN O[C@@H]1CCO[C@H](CCc2ccccc2)C1 ZINC000069850585 349962394 /nfs/dbraw/zinc/96/23/94/349962394.db2.gz HIFVIQBYTOVQAP-CHWSQXEVSA-N 0 0 206.285 2.159 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1OC2CCC1CC2 ZINC000636403881 346474211 /nfs/dbraw/zinc/47/42/11/346474211.db2.gz OMIIOHXTSSPUGE-BWIOIVMUSA-N 0 0 221.300 2.118 10 0 BEAERN Cc1cn(C2(C)CCOCC2)c(=S)[nH]1 ZINC000229916402 346476862 /nfs/dbraw/zinc/47/68/62/346476862.db2.gz UKKNJJYCLHKXBE-UHFFFAOYSA-N 0 0 212.318 2.006 10 0 BEAERN CC(C)Cn1cnc2c1cnnc2Cl ZINC000725242169 537982178 /nfs/dbraw/zinc/98/21/78/537982178.db2.gz KGARMXOLUZWXTM-UHFFFAOYSA-N 0 0 210.668 2.136 10 0 BEAERN CC[C@](C)(O)Cc1cn2ccsc2n1 ZINC000148916619 346488841 /nfs/dbraw/zinc/48/88/41/346488841.db2.gz YULITBNFYJJPMK-JTQLQIEISA-N 0 0 210.302 2.099 10 0 BEAERN CC1(C)C[C@](O)(c2ccccc2)CCO1 ZINC000069896682 349968097 /nfs/dbraw/zinc/96/80/97/349968097.db2.gz GRJWBCKIQFVTKW-ZDUSSCGKSA-N 0 0 206.285 2.463 10 0 BEAERN Nc1cccc(NC(=O)C2CC2)c1Cl ZINC000147488116 346498433 /nfs/dbraw/zinc/49/84/33/346498433.db2.gz FDBIRUDMWLPTNH-UHFFFAOYSA-N 0 0 210.664 2.271 10 0 BEAERN CC1(C)CCC(n2ncc(C=O)c2N)CC1 ZINC000725242281 537983303 /nfs/dbraw/zinc/98/33/03/537983303.db2.gz RGKWYLHFDGKXGF-UHFFFAOYSA-N 0 0 221.304 2.419 10 0 BEAERN Cc1ccc(Br)c(-n2ccnn2)c1 ZINC000725242157 537983306 /nfs/dbraw/zinc/98/33/06/537983306.db2.gz JPWZWIFWLCMACR-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1cccc(N)c1C(=O)OC1CCC1 ZINC000052146428 179118999 /nfs/dbraw/zinc/11/89/99/179118999.db2.gz UWAAAXLVDMFUIJ-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN CC[C@H]1Sc2nccc(C)c2NC1=O ZINC000162675463 346534420 /nfs/dbraw/zinc/53/44/20/346534420.db2.gz GTDPJVKFEIRYET-SSDOTTSWSA-N 0 0 208.286 2.213 10 0 BEAERN C[C@H](NN)c1cc(Br)ccc1F ZINC000163043048 346546327 /nfs/dbraw/zinc/54/63/27/346546327.db2.gz UIWHPCVKBKAYPN-YFKPBYRVSA-N 0 0 233.084 2.113 10 0 BEAERN OCc1ccc(Cl)cc1N1CCCC1 ZINC000163066802 346547085 /nfs/dbraw/zinc/54/70/85/346547085.db2.gz BTIVPLOKFXXITG-UHFFFAOYSA-N 0 0 211.692 2.433 10 0 BEAERN Cc1cccc(Cn2ncc(Cl)c2N)c1 ZINC000043665193 179109185 /nfs/dbraw/zinc/10/91/85/179109185.db2.gz MJUQMBKCGXDSHW-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Cc1ccc(CN2[C@H](C)COC[C@@H]2C)c(C)n1 ZINC000187074330 346553694 /nfs/dbraw/zinc/55/36/94/346553694.db2.gz JAJQRVRWOIVLSF-TXEJJXNPSA-N 0 0 234.343 2.308 10 0 BEAERN Cc1cnn(Cc2cccc(C)c2C)c1N ZINC000043314373 179109479 /nfs/dbraw/zinc/10/94/79/179109479.db2.gz AXOPIGNBWRFKHU-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN Cc1cccc(N)c1NC(=O)NC(C)(C)C ZINC000036925561 179120850 /nfs/dbraw/zinc/12/08/50/179120850.db2.gz JHCPIHKQAFQGJV-UHFFFAOYSA-N 0 0 221.304 2.497 10 0 BEAERN Cc1cccc(N)c1NC(=O)[C@@H]1C[C@H]1C ZINC000036925516 179121133 /nfs/dbraw/zinc/12/11/33/179121133.db2.gz HXOJVXVVLCGLRL-RKDXNWHRSA-N 0 0 204.273 2.172 10 0 BEAERN C[C@]1(C(=O)[C@H]2CCCOC2)CCCS1 ZINC000164725323 346620501 /nfs/dbraw/zinc/62/05/01/346620501.db2.gz YGYGAMJWBZHTFU-GXSJLCMTSA-N 0 0 214.330 2.268 10 0 BEAERN C[C@@H]1CC[C@@H](n2ncc(C=O)c2N)C[C@H]1C ZINC000725242366 537983976 /nfs/dbraw/zinc/98/39/76/537983976.db2.gz XKDMVAJLZHUDDE-FXPVBKGRSA-N 0 0 221.304 2.275 10 0 BEAERN Nc1cc(Cl)ccc1N1CCCCO1 ZINC000164154072 346593329 /nfs/dbraw/zinc/59/33/29/346593329.db2.gz RHCBCNWUIGCHON-UHFFFAOYSA-N 0 0 212.680 2.454 10 0 BEAERN Nc1cccc(Cl)c1CN1CCCO1 ZINC000164173978 346594027 /nfs/dbraw/zinc/59/40/27/346594027.db2.gz MVOPQWDIXXQJJF-UHFFFAOYSA-N 0 0 212.680 2.060 10 0 BEAERN CCn1ccnc1C[S@](=O)c1ccccc1 ZINC000177291117 346595553 /nfs/dbraw/zinc/59/55/53/346595553.db2.gz YOQWXOBHSODAKF-INIZCTEOSA-N 0 0 234.324 2.211 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@H]([C@@H](C)O)C1 ZINC000580701305 346602961 /nfs/dbraw/zinc/60/29/61/346602961.db2.gz DHTXHAJKUQPIDY-VXGBXAGGSA-N 0 0 249.358 2.197 10 0 BEAERN CC[C@H](C)Cc1nnc2cncc(Cl)n21 ZINC000164427041 346604625 /nfs/dbraw/zinc/60/46/25/346604625.db2.gz KMWYBVYLTMDKNF-ZETCQYMHSA-N 0 0 224.695 2.366 10 0 BEAERN CCOC(=O)[C@H]1CCc2cc(C=O)ccc2C1 ZINC000164566538 346610222 /nfs/dbraw/zinc/61/02/22/346610222.db2.gz QISLKPPSINIAOI-ZDUSSCGKSA-N 0 0 232.279 2.167 10 0 BEAERN Cc1cccc(N)c1C(=O)NCC1CCC1 ZINC000037179155 179119768 /nfs/dbraw/zinc/11/97/68/179119768.db2.gz NWZFLHPYODDGDW-UHFFFAOYSA-N 0 0 218.300 2.107 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)[C@H](C)C1CC1 ZINC000036782810 179119827 /nfs/dbraw/zinc/11/98/27/179119827.db2.gz YCNYFAMSCVUJBB-SNVBAGLBSA-N 0 0 232.327 2.448 10 0 BEAERN Cc1cccc(N)c1NC(=O)NC(C)C ZINC000036925562 179120258 /nfs/dbraw/zinc/12/02/58/179120258.db2.gz QNLLGZWVBNMONG-UHFFFAOYSA-N 0 0 207.277 2.107 10 0 BEAERN OCCOCCc1cccc2ccccc21 ZINC000165412291 346650812 /nfs/dbraw/zinc/65/08/12/346650812.db2.gz FJQWBYPTPIUONC-UHFFFAOYSA-N 0 0 216.280 2.391 10 0 BEAERN Cc1cccc(NC(=O)COc2ccccn2)c1 ZINC000125130478 179129568 /nfs/dbraw/zinc/12/95/68/179129568.db2.gz ZHBLQVWGYAMRKS-UHFFFAOYSA-N 0 0 242.278 2.408 10 0 BEAERN CCCC[N@H+](C)C1CCC(C(=O)[O-])CC1 ZINC000108275737 346667899 /nfs/dbraw/zinc/66/78/99/346667899.db2.gz NBTDWVZGBNXDQZ-UHFFFAOYSA-N 0 0 213.321 2.362 10 0 BEAERN CCCc1nnc([C@]2(C)CCCS2)[nH]1 ZINC000164761025 346623711 /nfs/dbraw/zinc/62/37/11/346623711.db2.gz YHVDPUZTVJVADC-JTQLQIEISA-N 0 0 211.334 2.499 10 0 BEAERN Cc1cccc(NC(=O)N2CCCC2=O)c1 ZINC000000005274 179130565 /nfs/dbraw/zinc/13/05/65/179130565.db2.gz XPJQVFXTNOCAEG-UHFFFAOYSA-N 0 0 218.256 2.149 10 0 BEAERN Cc1cccc(NC(=O)N2CC[C@H](CCO)C2)c1 ZINC000227529141 179131931 /nfs/dbraw/zinc/13/19/31/179131931.db2.gz WKGFLADRRSBLPB-GFCCVEGCSA-N 0 0 248.326 2.231 10 0 BEAERN Cc1cccc(NC(=O)[C@@H]2CCCO[C@H]2C)n1 ZINC000188806234 179139040 /nfs/dbraw/zinc/13/90/40/179139040.db2.gz LOEBLFOHFXKHIX-WDEREUQCSA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cccc(NC(=O)[C@H]2CCCO[C@H]2C)n1 ZINC000188806255 179140578 /nfs/dbraw/zinc/14/05/78/179140578.db2.gz LOEBLFOHFXKHIX-QWRGUYRKSA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cc(OC[C@@H]2COC(C)(C)O2)ccc1N ZINC000166434581 346676975 /nfs/dbraw/zinc/67/69/75/346676975.db2.gz XGSUSXRRBLOMCM-LLVKDONJSA-N 0 0 237.299 2.108 10 0 BEAERN Cc1ccc([C@@H](O)[C@H](O)c2ccc(C)o2)o1 ZINC000169386671 346759765 /nfs/dbraw/zinc/75/97/65/346759765.db2.gz FRQUVDOIVJUTFM-VXGBXAGGSA-N 0 0 222.240 2.256 10 0 BEAERN CC(=O)C(=NNc1c(C)cccc1C)C(C)=O ZINC000169511842 346764393 /nfs/dbraw/zinc/76/43/93/346764393.db2.gz NZGOBAQQJTVJTK-UHFFFAOYSA-N 0 0 232.283 2.249 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115360615 370650319 /nfs/dbraw/zinc/65/03/19/370650319.db2.gz YAJRQKQXNXWZSM-AMIZOPFISA-N 0 0 246.285 2.374 10 0 BEAERN C[C@H](c1ccc(Cl)s1)N1CCNC1=O ZINC000169088689 346753086 /nfs/dbraw/zinc/75/30/86/346753086.db2.gz SJULVISSYJYQCJ-ZCFIWIBFSA-N 0 0 230.720 2.488 10 0 BEAERN Cc1cccc(Nc2ncnc(N)c2N)c1C ZINC000040723806 179160395 /nfs/dbraw/zinc/16/03/95/179160395.db2.gz HBCSDUQNVUGKLG-UHFFFAOYSA-N 0 0 229.287 2.001 10 0 BEAERN Cc1cccc(OCCCC(=O)N2CCCO2)c1 ZINC000125417776 179164483 /nfs/dbraw/zinc/16/44/83/179164483.db2.gz GIPIWKUVLALNJU-UHFFFAOYSA-N 0 0 249.310 2.318 10 0 BEAERN Cc1cccc(OC[C@H]2CCCO2)c1N ZINC000035283673 179172547 /nfs/dbraw/zinc/17/25/47/179172547.db2.gz HYUPHSKUMPWSBR-SNVBAGLBSA-N 0 0 207.273 2.135 10 0 BEAERN Cc1cccc(OCC2N=NC(=S)N2)c1C ZINC000026473090 179173834 /nfs/dbraw/zinc/17/38/34/179173834.db2.gz RHNXYCVGHXSAAZ-UHFFFAOYSA-N 0 0 235.312 2.289 10 0 BEAERN CCNc1cc(-c2c[nH]c3ncccc23)ncn1 ZINC000038276714 347162359 /nfs/dbraw/zinc/16/23/59/347162359.db2.gz KPORXBDYHSKKKN-UHFFFAOYSA-N 0 0 239.282 2.452 10 0 BEAERN O=C1c2ccc(F)cc2OCc2cccnc21 ZINC000038813237 347167388 /nfs/dbraw/zinc/16/73/88/347167388.db2.gz AQPPNIXZXSLFPM-UHFFFAOYSA-N 0 0 229.210 2.344 10 0 BEAERN CCOC(=O)[C@H]1CC[C@H](c2ccccc2C)N1 ZINC000039001826 347173571 /nfs/dbraw/zinc/17/35/71/347173571.db2.gz PZAYTALJRQEWMT-CHWSQXEVSA-N 0 0 233.311 2.351 10 0 BEAERN Cc1ccc(-c2cc[n+](C)cc2[O-])cc1 ZINC000039039372 347174245 /nfs/dbraw/zinc/17/42/45/347174245.db2.gz JCCDWWZYVFXCPN-UHFFFAOYSA-O 0 0 200.261 2.192 10 0 BEAERN Cc1cccc([C@@H]([NH2+]C2CC2)C(=O)[O-])c1C ZINC000043315405 179187178 /nfs/dbraw/zinc/18/71/78/179187178.db2.gz YHSCHHWLNXFTJN-GFCCVEGCSA-N 0 0 219.284 2.181 10 0 BEAERN CCOC(=O)COc1c(C)cc(C)c(N)c1C ZINC000039020300 347175058 /nfs/dbraw/zinc/17/50/58/347175058.db2.gz KQEWUVGQTSVJNF-UHFFFAOYSA-N 0 0 237.299 2.136 10 0 BEAERN CC(=O)N[C@@H]1Cc2cccc3cccc(c32)C1=O ZINC000039042338 347175214 /nfs/dbraw/zinc/17/52/14/347175214.db2.gz DMYZTRHRDBAQIA-CYBMUJFWSA-N 0 0 239.274 2.083 10 0 BEAERN O=C([O-])[C@]1(CC2CCCC2)CCC[NH2+]C1 ZINC000062851498 347184396 /nfs/dbraw/zinc/18/43/96/347184396.db2.gz XGGKRZKTUFYRAL-LBPRGKRZSA-N 0 0 211.305 2.021 10 0 BEAERN CCOP(=O)(OCC)[C@H](CC)C(=O)OC ZINC000039247314 347188360 /nfs/dbraw/zinc/18/83/60/347188360.db2.gz RKCYMDRWHIIFMS-MRVPVSSYSA-N 0 0 238.220 2.204 10 0 BEAERN Brc1cnc(C2CCOCC2)o1 ZINC000258526438 537988100 /nfs/dbraw/zinc/98/81/00/537988100.db2.gz LZWFGOLGNLHQIC-UHFFFAOYSA-N 0 0 232.077 2.331 10 0 BEAERN CC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000059834939 347229680 /nfs/dbraw/zinc/22/96/80/347229680.db2.gz GSTLQLYMCOUASS-UHFFFAOYSA-N 0 0 200.241 2.134 10 0 BEAERN CC1(C)CSC(Nc2cccnc2)=N1 ZINC000013724894 362800553 /nfs/dbraw/zinc/80/05/53/362800553.db2.gz MXDQNEAUAVCOGD-UHFFFAOYSA-N 0 0 207.302 2.375 10 0 BEAERN Cc1cccc([C@H]2C=CS(=O)(=O)C2)c1 ZINC000040173709 179203340 /nfs/dbraw/zinc/20/33/40/179203340.db2.gz DPSKAMWPADWPEW-NSHDSACASA-N 0 0 208.282 2.021 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000188528511 347283077 /nfs/dbraw/zinc/28/30/77/347283077.db2.gz KGAIZOFHUDAVQA-YVECIDJPSA-N 0 0 239.359 2.449 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000250662918 362815514 /nfs/dbraw/zinc/81/55/14/362815514.db2.gz GJTHEBXZSZBFKM-SVDPJWKOSA-N 0 0 212.289 2.143 10 0 BEAERN C[C@@](O)(c1ccccc1)c1ccc(N)c(N)c1 ZINC000114986565 347354187 /nfs/dbraw/zinc/35/41/87/347354187.db2.gz HIHLDYIWRYOYCT-CQSZACIVSA-N 0 0 228.295 2.107 10 0 BEAERN O=[N+]([O-])c1ccc(CF)nc1OC(F)(F)F ZINC000393810256 347355537 /nfs/dbraw/zinc/35/55/37/347355537.db2.gz UEHYRARKYFRBDR-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN COc1ccc2cc3cnoc3nc2c1 ZINC000104976714 347407328 /nfs/dbraw/zinc/40/73/28/347407328.db2.gz DKSPGGYIGAVUAR-UHFFFAOYSA-N 0 0 200.197 2.385 10 0 BEAERN CC[C@@H](O)Cc1nc(Cc2ccc(C)cc2)no1 ZINC000109487122 347412865 /nfs/dbraw/zinc/41/28/65/347412865.db2.gz JSQQQCHHXSLTLJ-GFCCVEGCSA-N 0 0 246.310 2.282 10 0 BEAERN Cc1cccc2c1cnn2CCC(N)=S ZINC000045921631 179225644 /nfs/dbraw/zinc/22/56/44/179225644.db2.gz LLHZKVMYABHBET-UHFFFAOYSA-N 0 0 219.313 2.021 10 0 BEAERN Cc1cccc2cc(C(=O)[C@H](C)N)oc21 ZINC000082914556 179226812 /nfs/dbraw/zinc/22/68/12/179226812.db2.gz OIWOJKMNGMPTHP-QMMMGPOBSA-N 0 0 203.241 2.271 10 0 BEAERN Fc1cnc(Cl)nc1NN1CCCCC1 ZINC000149630736 347387654 /nfs/dbraw/zinc/38/76/54/347387654.db2.gz VYHMWIZGDRSDKW-UHFFFAOYSA-N 0 0 230.674 2.082 10 0 BEAERN Cc1cccc2c1OCCC[C@H]2[NH2+][C@H](C)C(=O)[O-] ZINC000049357839 179220938 /nfs/dbraw/zinc/22/09/38/179220938.db2.gz KERSSBDLUYBLOW-ZYHUDNBSSA-N 0 0 249.310 2.271 10 0 BEAERN O=C(CCO)Nc1c(Cl)cccc1Cl ZINC000036757562 347450234 /nfs/dbraw/zinc/45/02/34/347450234.db2.gz OODHPRIBVWYMBX-UHFFFAOYSA-N 0 0 234.082 2.314 10 0 BEAERN Cc1cccc2ncc([C@@H](C)C(N)=S)n21 ZINC000031933417 179232213 /nfs/dbraw/zinc/23/22/13/179232213.db2.gz JOQCYVANTPJLKX-MRVPVSSYSA-N 0 0 219.313 2.032 10 0 BEAERN CC1(C)CCC[C@@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000251116625 362838336 /nfs/dbraw/zinc/83/83/36/362838336.db2.gz DISZRVCQDGQFCO-UWVGGRQHSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccc2nc(-c3ccco3)c(N)n21 ZINC000036222167 179228279 /nfs/dbraw/zinc/22/82/79/179228279.db2.gz YSJAEDAARPXYGR-UHFFFAOYSA-N 0 0 213.240 2.485 10 0 BEAERN COc1cccc2c1CC[C@@H](C(N)=S)C2 ZINC000616568337 347447168 /nfs/dbraw/zinc/44/71/68/347447168.db2.gz IOAXYXOTGJPDKB-SECBINFHSA-N 0 0 221.325 2.086 10 0 BEAERN CCc1c(C)cc2nc(C(F)(F)F)nn2c1O ZINC000725243349 537990821 /nfs/dbraw/zinc/99/08/21/537990821.db2.gz YOOPMEADGSZWSF-UHFFFAOYSA-N 0 0 245.204 2.325 10 0 BEAERN Cc1nn(-c2ccccc2C)c(N)c1C ZINC000045628353 179241918 /nfs/dbraw/zinc/24/19/18/179241918.db2.gz BLZUECWYGFPRLN-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1ccccc1C(=O)NC1CCC(O)CC1 ZINC000035101183 179249941 /nfs/dbraw/zinc/24/99/41/179249941.db2.gz XKXKVLAXQKKLAI-UHFFFAOYSA-N 0 0 233.311 2.028 10 0 BEAERN COC(=O)c1csc([C@H]2CC[C@H](C)O2)n1 ZINC000149808980 347521675 /nfs/dbraw/zinc/52/16/75/347521675.db2.gz CZTNEYDCIPPNHS-POYBYMJQSA-N 0 0 227.285 2.170 10 0 BEAERN COC(=O)c1csc([C@@H]2CC[C@H](C)O2)n1 ZINC000149809396 347521863 /nfs/dbraw/zinc/52/18/63/347521863.db2.gz CZTNEYDCIPPNHS-XPUUQOCRSA-N 0 0 227.285 2.170 10 0 BEAERN Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000225673539 179252280 /nfs/dbraw/zinc/25/22/80/179252280.db2.gz JORRHDGNPFVZMY-OCCSQVGLSA-N 0 0 247.338 2.276 10 0 BEAERN Fc1cc(OCc2cccs2)ncn1 ZINC000149906287 347553551 /nfs/dbraw/zinc/55/35/51/347553551.db2.gz BXJUCDJRJGCCLS-UHFFFAOYSA-N 0 0 210.233 2.256 10 0 BEAERN Cc1ccccc1CCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000123693227 179265404 /nfs/dbraw/zinc/26/54/04/179265404.db2.gz DTUFOYKITWQZOR-OCCSQVGLSA-N 0 0 247.338 2.221 10 0 BEAERN CCCC[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000302469935 347572398 /nfs/dbraw/zinc/57/23/98/347572398.db2.gz XHSQUKXMUPCWJD-AVGNSLFASA-N 0 0 241.375 2.480 10 0 BEAERN CCOc1ccc([C@H](O)CC[C@@H]2CO2)cc1 ZINC000616569203 347592110 /nfs/dbraw/zinc/59/21/10/347592110.db2.gz GPEWXSLUOZFYKL-CHWSQXEVSA-N 0 0 222.284 2.298 10 0 BEAERN CCOc1ccc([C@@H](O)CC[C@@H]2CO2)cc1 ZINC000616569205 347592161 /nfs/dbraw/zinc/59/21/61/347592161.db2.gz GPEWXSLUOZFYKL-OLZOCXBDSA-N 0 0 222.284 2.298 10 0 BEAERN C[C@@H]1C[C@@H](C)CCN1c1cc(F)ncn1 ZINC000150066218 347596012 /nfs/dbraw/zinc/59/60/12/347596012.db2.gz UEQSMSFAGANJPW-DTWKUNHWSA-N 0 0 209.268 2.241 10 0 BEAERN Cc1ccccc1CCn1cn[nH]c1=S ZINC000077328776 179267023 /nfs/dbraw/zinc/26/70/23/179267023.db2.gz QALGCUXKRYJXTH-UHFFFAOYSA-N 0 0 219.313 2.492 10 0 BEAERN CCc1c(C)cc2nc(C(C)C)nn2c1O ZINC000725243359 537991603 /nfs/dbraw/zinc/99/16/03/537991603.db2.gz YYLJGPUGZAQPDX-UHFFFAOYSA-N 0 0 219.288 2.429 10 0 BEAERN CC(=O)[C@H](C(=O)OCc1ccccc1)C1CC1 ZINC000200840767 347685341 /nfs/dbraw/zinc/68/53/41/347685341.db2.gz GORCJNFTGBMXOC-ZDUSSCGKSA-N 0 0 232.279 2.345 10 0 BEAERN Nc1c(F)cccc1C(=O)Nc1ccccn1 ZINC000054205969 1172094612 /nfs/dbraw/zinc/09/46/12/1172094612.db2.gz FMKZMSPJZXDOGZ-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CC(C)CCNC(=O)c1cccc(F)c1N ZINC000054204854 1172094643 /nfs/dbraw/zinc/09/46/43/1172094643.db2.gz HYOLRVWXARYDHY-UHFFFAOYSA-N 0 0 224.279 2.184 10 0 BEAERN Nc1c(F)cccc1C(=O)N1CCCCCC1 ZINC000054206056 1172094664 /nfs/dbraw/zinc/09/46/64/1172094664.db2.gz YYXITADUHMHPRE-UHFFFAOYSA-N 0 0 236.290 2.424 10 0 BEAERN CCCC(CCC)([NH2+]CC1CC1)C(=O)[O-] ZINC000037967340 168578956 /nfs/dbraw/zinc/57/89/56/168578956.db2.gz ORGWHZWOMOQOBF-UHFFFAOYSA-N 0 0 213.321 2.410 10 0 BEAERN Cc1ccccc1N(C)C(=O)c1cccnc1N ZINC000050708604 179295141 /nfs/dbraw/zinc/29/51/41/179295141.db2.gz ABUWMDFLKABMLC-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ncc[nH]1 ZINC000252981639 347831142 /nfs/dbraw/zinc/83/11/42/347831142.db2.gz RZMLXMLAGFMNDF-VLEAKVRGSA-N 0 0 233.315 2.023 10 0 BEAERN Cc1ccccc1C[C@@H](C[NH3+])C(=O)NC(C)(C)C ZINC000050304476 179289754 /nfs/dbraw/zinc/28/97/54/179289754.db2.gz NOZXRYISMBGFHT-ZDUSSCGKSA-N 0 0 248.370 2.027 10 0 BEAERN Cc1ccccc1C[C@@H]([NH3+])c1ncccn1 ZINC000037467248 179290234 /nfs/dbraw/zinc/29/02/34/179290234.db2.gz AMSFNCOPEKBOQC-GFCCVEGCSA-N 0 0 213.284 2.028 10 0 BEAERN Cc1cc2nc(C3CCCC3)nn2c(O)c1 ZINC000725243197 537992708 /nfs/dbraw/zinc/99/27/08/537992708.db2.gz PGTDIEUGGPNGKR-UHFFFAOYSA-N 0 0 217.272 2.401 10 0 BEAERN Cc1c(CO)c(CO)c(C)n1-c1ccc(C)cc1 ZINC000196223258 347838267 /nfs/dbraw/zinc/83/82/67/347838267.db2.gz VSZGTOAGORGWLF-UHFFFAOYSA-N 0 0 245.322 2.387 10 0 BEAERN Cc1ccccc1OCCNC(=O)N[C@H]1C[C@H]1C ZINC000075978824 179310994 /nfs/dbraw/zinc/31/09/94/179310994.db2.gz POWPVNRJJNQEKQ-NEPJUHHUSA-N 0 0 248.326 2.081 10 0 BEAERN C[C@@H](NC(=O)c1ccc(O)cc1O)C(C)(C)C ZINC000112248764 323167512 /nfs/dbraw/zinc/16/75/12/323167512.db2.gz HJTDTYHEOREEDR-MRVPVSSYSA-N 0 0 237.299 2.262 10 0 BEAERN Cn1ccnc1-c1c[nH]c2cnc(F)cc12 ZINC000669381484 537994453 /nfs/dbraw/zinc/99/44/53/537994453.db2.gz LAHZJZJAQVNWHB-UHFFFAOYSA-N 0 0 216.219 2.103 10 0 BEAERN O=c1c(Cl)nsc(Cl)c1Cl ZINC000196618709 347953098 /nfs/dbraw/zinc/95/30/98/347953098.db2.gz VCALQBDVZGWSAG-UHFFFAOYSA-N 0 0 216.476 2.464 10 0 BEAERN O=C1COCCN1c1ccccc1C(F)(F)F ZINC000725244139 537995347 /nfs/dbraw/zinc/99/53/47/537995347.db2.gz ITSSRXXIDLATCH-UHFFFAOYSA-N 0 0 245.200 2.069 10 0 BEAERN Clc1cc2nnc(-c3ccco3)n2cn1 ZINC000036903815 347970172 /nfs/dbraw/zinc/97/01/72/347970172.db2.gz JUYJTWSNRAXXMD-UHFFFAOYSA-N 0 0 220.619 2.038 10 0 BEAERN C[C@]12CCC(=O)N[C@@H]1CCc1ccc(F)cc12 ZINC000196795626 348027824 /nfs/dbraw/zinc/02/78/24/348027824.db2.gz YDGVXTVKIPGEQF-TZMCWYRMSA-N 0 0 233.286 2.308 10 0 BEAERN Cc1ccc(CSc2nnc(N)s2)o1 ZINC000037037153 348018217 /nfs/dbraw/zinc/01/82/17/348018217.db2.gz CRBGCSLSAMUASM-UHFFFAOYSA-N 0 0 227.314 2.314 10 0 BEAERN C/C=C/C(=O)NC[C@H]1CCNc2ccccc21 ZINC000616570359 348069660 /nfs/dbraw/zinc/06/96/60/348069660.db2.gz FURQOMBMMOYCFL-XGQHYKRYSA-N 0 0 230.311 2.278 10 0 BEAERN Nc1ccc(SCC(F)(F)F)nc1 ZINC000037191883 348060970 /nfs/dbraw/zinc/06/09/70/348060970.db2.gz SWBQWKZWNMAQMG-UHFFFAOYSA-N 0 0 208.208 2.318 10 0 BEAERN CC(C)CC(=O)N(C(C)C)C1CCOCC1 ZINC000121614434 187386519 /nfs/dbraw/zinc/38/65/19/187386519.db2.gz LFCWDTWPZYLIHD-UHFFFAOYSA-N 0 0 227.348 2.449 10 0 BEAERN CC1(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)CCC1 ZINC000334751024 133731427 /nfs/dbraw/zinc/73/14/27/133731427.db2.gz MLOZXTYQGXIGBL-VXGBXAGGSA-N 0 0 249.354 2.204 10 0 BEAERN CCC(=O)N1CCC[C@@H](c2cccc(N)c2)C1 ZINC000222827917 348225189 /nfs/dbraw/zinc/22/51/89/348225189.db2.gz KLNPCAYGOMVCSQ-GFCCVEGCSA-N 0 0 232.327 2.385 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669382371 537999885 /nfs/dbraw/zinc/99/98/85/537999885.db2.gz GZVAKJKPAHJUTM-YGNMPJRFSA-N 0 0 224.300 2.287 10 0 BEAERN CCOC(=O)c1cccc2c1CC=C2CCO ZINC000216139558 349982890 /nfs/dbraw/zinc/98/28/90/349982890.db2.gz GYKDRUOACWMAAU-UHFFFAOYSA-N 0 0 232.279 2.185 10 0 BEAERN Cc1cccnc1CN1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000071345253 179379126 /nfs/dbraw/zinc/37/91/26/179379126.db2.gz BUWMFOYMFQHUMV-BETUJISGSA-N 0 0 244.338 2.476 10 0 BEAERN Cc1noc(C)c1CNCc1ncccc1C ZINC000071339593 179383000 /nfs/dbraw/zinc/38/30/00/179383000.db2.gz YXICBTHJFCXYRV-UHFFFAOYSA-N 0 0 231.299 2.285 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251383512 362868550 /nfs/dbraw/zinc/86/85/50/362868550.db2.gz ZVMYNBFPOVDGBB-MNOVXSKESA-N 0 0 213.321 2.360 10 0 BEAERN Cn1ccc2c(Br)csc2c1=O ZINC000224419789 348255521 /nfs/dbraw/zinc/25/55/21/348255521.db2.gz HNYJPWXMNXQUGX-UHFFFAOYSA-N 0 0 244.113 2.363 10 0 BEAERN CC(C)C[C@H]1CNc2cc(N)ccc2O1 ZINC000026509576 187391458 /nfs/dbraw/zinc/39/14/58/187391458.db2.gz HYKIXVPCJBLGPC-JTQLQIEISA-N 0 0 206.289 2.488 10 0 BEAERN CCC[C@H](O)Cc1nc(CC(C)(C)C)no1 ZINC000069052444 490141126 /nfs/dbraw/zinc/14/11/26/490141126.db2.gz XQVTYXUCBBMLFL-VIFPVBQESA-N 0 0 226.320 2.362 10 0 BEAERN CCO[C@H]1OC(=O)C[C@@H]1Cc1ccccc1 ZINC000223332625 348232321 /nfs/dbraw/zinc/23/23/21/348232321.db2.gz QMCMVRBDBSVYLS-AAEUAGOBSA-N 0 0 220.268 2.155 10 0 BEAERN Cc1cccnc1COC(=O)[C@H]1CCCO[C@H]1C ZINC000192107708 179385765 /nfs/dbraw/zinc/38/57/65/179385765.db2.gz PYFKSOZUXIGMCB-RYUDHWBXSA-N 0 0 249.310 2.248 10 0 BEAERN COCOc1cnc(Cl)cc1[C@H](O)C1CC1 ZINC000725245026 538000646 /nfs/dbraw/zinc/00/06/46/538000646.db2.gz DGUMJMLLGIQSMI-LLVKDONJSA-N 0 0 243.690 2.161 10 0 BEAERN C[C@@]1(CCc2cccs2)COC(=O)N1 ZINC000204330685 348297099 /nfs/dbraw/zinc/29/70/99/348297099.db2.gz GXEIFDOEAZITMF-SNVBAGLBSA-N 0 0 211.286 2.179 10 0 BEAERN Cc1cccnc1N[C@@H](C)[C@@H]1CCOC1 ZINC000162796670 179395098 /nfs/dbraw/zinc/39/50/98/179395098.db2.gz BURXYRKYFJZURF-WDEREUQCSA-N 0 0 206.289 2.227 10 0 BEAERN Cc1cscc1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000334622725 187393204 /nfs/dbraw/zinc/39/32/04/187393204.db2.gz NPFXOWJPGBZMAO-GXSJLCMTSA-N 0 0 239.340 2.042 10 0 BEAERN Cc1ccn(-c2ccc(Cl)cc2N)n1 ZINC000020353604 179399031 /nfs/dbraw/zinc/39/90/31/179399031.db2.gz QBRHSHNDIPOHCH-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@H]1CCCCC1(C)C ZINC000251565906 362887459 /nfs/dbraw/zinc/88/74/59/362887459.db2.gz SITHFRINUCGZNC-ZJUUUORDSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000251577367 362888268 /nfs/dbraw/zinc/88/82/68/362888268.db2.gz WQTTYSGVNXBPEG-UWVGGRQHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H](C1CC1)[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251586971 362888341 /nfs/dbraw/zinc/88/83/41/362888341.db2.gz NZLOHCRJOAQWGC-ONGXEEELSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H]1CCC[C@@](CC(=O)[O-])([NH+](C)C)[C@H]1C ZINC000251769739 362910009 /nfs/dbraw/zinc/91/00/09/362910009.db2.gz KPNQRIFFOQYFBC-SCVCMEIPSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)=C(F)C(=O)N1CCOC2(CCC2)C1 ZINC000128296884 187395341 /nfs/dbraw/zinc/39/53/41/187395341.db2.gz SWOMUXBCVXEIPP-UHFFFAOYSA-N 0 0 227.279 2.031 10 0 BEAERN C[C@H](Nc1nsnc1Cl)[C@@H]1CCCO1 ZINC000037372406 348356506 /nfs/dbraw/zinc/35/65/06/348356506.db2.gz ROBDFHZDHWMVRM-WDSKDSINSA-N 0 0 233.724 2.171 10 0 BEAERN CN(Cc1ccncc1)c1nsnc1Cl ZINC000037372444 348356962 /nfs/dbraw/zinc/35/69/62/348356962.db2.gz RTERNUZHPBWGOO-UHFFFAOYSA-N 0 0 240.719 2.223 10 0 BEAERN Cc1ccn(Cc2ccc(Cl)cc2N)c(=O)c1 ZINC000061895339 179410830 /nfs/dbraw/zinc/41/08/30/179410830.db2.gz FCQVCZYOCPFBQD-UHFFFAOYSA-N 0 0 248.713 2.441 10 0 BEAERN CC(C)c1nc(-c2ccccc2O)n[nH]1 ZINC000053994979 187395783 /nfs/dbraw/zinc/39/57/83/187395783.db2.gz XQNAGCPNJKCTKB-UHFFFAOYSA-N 0 0 203.245 2.301 10 0 BEAERN Cc1[nH]n(C(C)C)c2c(Br)nnc1-2 ZINC000045921361 187395794 /nfs/dbraw/zinc/39/57/94/187395794.db2.gz OFCWGQAWZOVCAE-UHFFFAOYSA-N 0 0 243.108 2.411 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCCCC[C@H]2C ZINC000669382722 538005333 /nfs/dbraw/zinc/00/53/33/538005333.db2.gz KGPJJXYECQROEE-JFGNBEQYSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ccnc(N[C@@H](C)c2ccncc2)n1 ZINC000061858978 179455329 /nfs/dbraw/zinc/45/53/29/179455329.db2.gz CQJLMVOUXATMGD-JTQLQIEISA-N 0 0 214.272 2.353 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@@H]1CCCC[C@@H]12 ZINC000669383072 538007097 /nfs/dbraw/zinc/00/70/97/538007097.db2.gz MGNRVKPYKACDPG-UUTMEEIUSA-N 0 0 230.691 2.074 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669383173 538008622 /nfs/dbraw/zinc/00/86/22/538008622.db2.gz NZWHDLCGDSPKJP-JZSSXWJLSA-N 0 0 230.691 2.074 10 0 BEAERN Nc1cccc(-n2cc(Br)cn2)c1 ZINC000037470390 348611056 /nfs/dbraw/zinc/61/10/56/348611056.db2.gz ZBFPLLAGWNWJCD-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN CCOC(=O)[C@@]1(CC)O[C@@]12CCCSCC2 ZINC000669383524 538007721 /nfs/dbraw/zinc/00/77/21/538007721.db2.gz IDZYJADWNSKADD-VXGBXAGGSA-N 0 0 244.356 2.384 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669383179 538007938 /nfs/dbraw/zinc/00/79/38/538007938.db2.gz NZWHDLCGDSPKJP-YKDSUIRESA-N 0 0 230.691 2.074 10 0 BEAERN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2=O ZINC000206599248 348655228 /nfs/dbraw/zinc/65/52/28/348655228.db2.gz TWMONWHWHWPJFW-RWMBFGLXSA-N 0 0 215.296 2.206 10 0 BEAERN Cc1ccc(SCCO)c(SCCO)c1 ZINC000206024018 348615100 /nfs/dbraw/zinc/61/51/00/348615100.db2.gz KFURPDAHPTWOQH-UHFFFAOYSA-N 0 0 244.381 2.164 10 0 BEAERN O=C(c1ccncc1)c1cccc(F)c1 ZINC000037464042 348615941 /nfs/dbraw/zinc/61/59/41/348615941.db2.gz PNIMGEHFBINXCH-UHFFFAOYSA-N 0 0 201.200 2.452 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]1(C)CC1CCCC1 ZINC000669383743 538009909 /nfs/dbraw/zinc/00/99/09/538009909.db2.gz WLRWYSXLALRUFE-CMPLNLGQSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cnc(NC2CCC(O)CC2)s1 ZINC000302163351 179630186 /nfs/dbraw/zinc/63/01/86/179630186.db2.gz OIYIGPIPVBCBNG-UHFFFAOYSA-N 0 0 212.318 2.167 10 0 BEAERN CCC[C@H](O)c1ccc(C(=O)OC)cc1 ZINC000038867041 348734402 /nfs/dbraw/zinc/73/44/02/348734402.db2.gz HNLHOTAEVWZOMO-NSHDSACASA-N 0 0 208.257 2.307 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]1(C)Cc1ccsc1 ZINC000669383703 538010746 /nfs/dbraw/zinc/01/07/46/538010746.db2.gz VIHXYWQXRHCZIW-KOLCDFICSA-N 0 0 226.297 2.011 10 0 BEAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC ZINC000096304646 323195191 /nfs/dbraw/zinc/19/51/91/323195191.db2.gz JGTWGAQDMLFVDX-SECBINFHSA-N 0 0 245.319 2.243 10 0 BEAERN Cc1csc(NCc2cnc(C)cn2)n1 ZINC000061321881 179612786 /nfs/dbraw/zinc/61/27/86/179612786.db2.gz OMZCHNUGNALNFE-UHFFFAOYSA-N 0 0 220.301 2.162 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12CCCC21CCC1 ZINC000669383561 538011401 /nfs/dbraw/zinc/01/14/01/538011401.db2.gz JKLCVVMYSPACMS-CHWSQXEVSA-N 0 0 224.300 2.431 10 0 BEAERN Nc1cn(Cc2cc(F)ccc2Cl)cn1 ZINC000725247215 538011702 /nfs/dbraw/zinc/01/17/02/538011702.db2.gz KSZXZCSITAUIRM-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]1(C)Cc1ccsc1 ZINC000669383779 538011463 /nfs/dbraw/zinc/01/14/63/538011463.db2.gz WQAJPOFTVPHTRC-GHMZBOCLSA-N 0 0 226.297 2.011 10 0 BEAERN COC(=O)[C@H]1O[C@]1(C)CC1CCCCC1 ZINC000669383687 538011485 /nfs/dbraw/zinc/01/14/85/538011485.db2.gz VERZOYOFUSGDSP-ZYHUDNBSSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]1(C)C1CCCC1 ZINC000669383693 538010868 /nfs/dbraw/zinc/01/08/68/538010868.db2.gz JQXQNDGBMHVQHF-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN CN(CCC1CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000308825168 348762053 /nfs/dbraw/zinc/76/20/53/348762053.db2.gz HSTAVWYKVPBCHM-ZSBIGDGJSA-N 0 0 207.317 2.291 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]1(C)Cc1ccsc1 ZINC000669383705 538010924 /nfs/dbraw/zinc/01/09/24/538010924.db2.gz VIHXYWQXRHCZIW-ONGXEEELSA-N 0 0 226.297 2.011 10 0 BEAERN C[C@H](c1ccncc1)[C@H](O)C(C)(F)F ZINC000300849408 362929473 /nfs/dbraw/zinc/92/94/73/362929473.db2.gz GXILNUYUHZVQRT-APPZFPTMSA-N 0 0 201.216 2.201 10 0 BEAERN COc1ccc([C@@]2(O)CCCSC2)cc1 ZINC000084423270 348809055 /nfs/dbraw/zinc/80/90/55/348809055.db2.gz BORPPFRBEMHVMS-GFCCVEGCSA-N 0 0 224.325 2.410 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]1(C)CC1CCCC1 ZINC000669383607 538013691 /nfs/dbraw/zinc/01/36/91/538013691.db2.gz TUGKKDKHVXIVLL-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN CCC[C@H](C)n1cc(N)cc1C(=O)OC ZINC000725247388 538011795 /nfs/dbraw/zinc/01/17/95/538011795.db2.gz QLTPRAVBGOINMB-QMMMGPOBSA-N 0 0 210.277 2.218 10 0 BEAERN C[C@@H](c1ccncc1)[C@@H](O)C(C)(F)F ZINC000300849414 362929625 /nfs/dbraw/zinc/92/96/25/362929625.db2.gz GXILNUYUHZVQRT-IONNQARKSA-N 0 0 201.216 2.201 10 0 BEAERN Cc1nc2cc(C)c(C)c(Br)n2n1 ZINC000725247992 538014561 /nfs/dbraw/zinc/01/45/61/538014561.db2.gz GPRIIOIHHPQHKH-UHFFFAOYSA-N 0 0 240.104 2.417 10 0 BEAERN C[NH2+][C@H](C)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000054074762 348876372 /nfs/dbraw/zinc/87/63/72/348876372.db2.gz BZHCZWUNYXLXEG-RISCZKNCSA-N 0 0 246.354 2.130 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CC(C)(C)CC[C@H]2C ZINC000669384521 538017105 /nfs/dbraw/zinc/01/71/05/538017105.db2.gz XLRCGTLCJIOKNN-PTRXPTGYSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CCC21CCCC1 ZINC000669384607 538017115 /nfs/dbraw/zinc/01/71/15/538017115.db2.gz YRGXWKKNHGFUBX-WDEREUQCSA-N 0 0 230.691 2.218 10 0 BEAERN CCCC(=O)C[C@@H](C(=O)OCC)C(=O)C(C)C ZINC000725248467 538017228 /nfs/dbraw/zinc/01/72/28/538017228.db2.gz VWEIBFGKPFYSSN-LLVKDONJSA-N 0 0 242.315 2.150 10 0 BEAERN CCCC(=O)C[C@H](C(=O)CCC)C(=O)OCC ZINC000725248604 538016675 /nfs/dbraw/zinc/01/66/75/538016675.db2.gz YBEUZHNUHAVQRT-LLVKDONJSA-N 0 0 242.315 2.294 10 0 BEAERN CC[C@H](C)[C@H](C)n1cc(N)c(C)cc1=O ZINC000725249280 538020303 /nfs/dbraw/zinc/02/03/03/538020303.db2.gz XHWATRNTHYTCPM-WPRPVWTQSA-N 0 0 208.305 2.346 10 0 BEAERN Nc1cn(Cc2cccc(Cl)c2)cn1 ZINC000082377469 538021074 /nfs/dbraw/zinc/02/10/74/538021074.db2.gz FBTDVCIMNKOJPM-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Cc1cnn([C@H](C)c2cccs2)c1N ZINC000034963999 179748585 /nfs/dbraw/zinc/74/85/85/179748585.db2.gz SQVBQOPIYORYTJ-MRVPVSSYSA-N 0 0 207.302 2.445 10 0 BEAERN Nc1cccnc1NCCc1ccccc1F ZINC000020382881 187418289 /nfs/dbraw/zinc/41/82/89/187418289.db2.gz LYBGWZKJWCLRSD-UHFFFAOYSA-N 0 0 231.274 2.458 10 0 BEAERN CC(=O)CC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000037839464 187418367 /nfs/dbraw/zinc/41/83/67/187418367.db2.gz ZBMJONINNOIXDN-FZMZJTMJSA-N 0 0 237.343 2.393 10 0 BEAERN CC(C)C[C@@H](C)Nc1ccc(=O)n(C)c1 ZINC000037785378 187418933 /nfs/dbraw/zinc/41/89/33/187418933.db2.gz KQMLUBIKZWPADO-SNVBAGLBSA-N 0 0 208.305 2.232 10 0 BEAERN CC(C)COc1cc2c(cc1N)NC(=O)CC2 ZINC000035341580 187420901 /nfs/dbraw/zinc/42/09/01/187420901.db2.gz JAPHBFMKXBMASJ-UHFFFAOYSA-N 0 0 234.299 2.188 10 0 BEAERN CC(C)=CC[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070502159 187422954 /nfs/dbraw/zinc/42/29/54/187422954.db2.gz JWZBTCJRJGCVIY-WDEREUQCSA-N 0 0 211.305 2.186 10 0 BEAERN CC(C)OC(C)(C)Cn1cc(Cl)c(N)n1 ZINC000725249937 538022527 /nfs/dbraw/zinc/02/25/27/538022527.db2.gz NKVJCBNPXNRTGS-UHFFFAOYSA-N 0 0 231.727 2.322 10 0 BEAERN CC(=O)NCCSc1c(N)cccc1Cl ZINC000037204044 187415261 /nfs/dbraw/zinc/41/52/61/187415261.db2.gz XLKWJBXMURNLGJ-UHFFFAOYSA-N 0 0 244.747 2.150 10 0 BEAERN CC(C)C[C@@H](CC(=O)[O-])[NH+]1CCCCC1 ZINC000080684269 187428270 /nfs/dbraw/zinc/42/82/70/187428270.db2.gz YKABGMZKGFUZID-NSHDSACASA-N 0 0 213.321 2.362 10 0 BEAERN CCC(=O)NC[C@@H]1CCNc2ccccc21 ZINC000616573533 349071431 /nfs/dbraw/zinc/07/14/31/349071431.db2.gz ZJCWQQKPYKLOLE-JTQLQIEISA-N 0 0 218.300 2.112 10 0 BEAERN O[C@H](C1=CCCCO1)[C@@H]1CCCCS1 ZINC000167857330 349075165 /nfs/dbraw/zinc/07/51/65/349075165.db2.gz DAFVANOBWOONKO-WDEREUQCSA-N 0 0 214.330 2.327 10 0 BEAERN CCCCC(=O)Oc1ccc(CO)cc1 ZINC000199057884 349085984 /nfs/dbraw/zinc/08/59/84/349085984.db2.gz ASYGZIQYVDJFKI-UHFFFAOYSA-N 0 0 208.257 2.275 10 0 BEAERN CCOc1ccc(C(N)=O)cc1OC(F)(F)F ZINC000616575201 349088175 /nfs/dbraw/zinc/08/81/75/349088175.db2.gz AWISRVHOAFAPBU-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOC(OCC)c1cc(Cl)ncn1 ZINC000616575476 349096136 /nfs/dbraw/zinc/09/61/36/349096136.db2.gz DIEPAWXWKURICE-UHFFFAOYSA-N 0 0 216.668 2.202 10 0 BEAERN CCOc1cc(CO)cc(OC(F)(F)F)c1 ZINC000616576448 349101540 /nfs/dbraw/zinc/10/15/40/349101540.db2.gz OVOZDUBHTSQNBO-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CC(C)(C)c1nc(Cl)c(N)c(=S)[nH]1 ZINC000039206913 187429873 /nfs/dbraw/zinc/42/98/73/187429873.db2.gz WIFFDFSEJIVEDC-UHFFFAOYSA-N 0 0 217.725 2.298 10 0 BEAERN O=Cc1ccc(OC(F)(F)F)cc1C=O ZINC000616578951 349128077 /nfs/dbraw/zinc/12/80/77/349128077.db2.gz GUOBXYIFIHWJNS-UHFFFAOYSA-N 0 0 218.130 2.210 10 0 BEAERN Nc1cnn(Cc2cc(Cl)ccc2Cl)n1 ZINC000725250598 538025988 /nfs/dbraw/zinc/02/59/88/538025988.db2.gz MNBKMAXOOUVTDS-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Cc1nc(CN2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000058506490 349181894 /nfs/dbraw/zinc/18/18/94/349181894.db2.gz HFVQSYMQYJXBBM-MRVPVSSYSA-N 0 0 249.236 2.152 10 0 BEAERN Cc1nc(-n2cc(Br)cn2)cs1 ZINC000725253313 538036041 /nfs/dbraw/zinc/03/60/41/538036041.db2.gz CUWGUGADYOSKEG-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN CC(C)c1cc(N[C@H]2CCC[C@H](O)C2)ncn1 ZINC000599516805 349205569 /nfs/dbraw/zinc/20/55/69/349205569.db2.gz VWGOQUWRYWTSQG-QWRGUYRKSA-N 0 0 235.331 2.315 10 0 BEAERN C1CCC(ON[C@@H]2CCCSC2)C1 ZINC000136959249 349261133 /nfs/dbraw/zinc/26/11/33/349261133.db2.gz KGZJNTWFSYODAW-SECBINFHSA-N 0 0 201.335 2.346 10 0 BEAERN C[C@@H]1C(=O)c2ccc(F)cc2[S@@](=O)[C@H]1C ZINC000299895364 349277353 /nfs/dbraw/zinc/27/73/53/349277353.db2.gz PKPRFHHJGHYEIJ-AKRFPOAQSA-N 0 0 226.272 2.154 10 0 BEAERN COc1ccc(C=O)cc1OC1CCOCC1 ZINC000060233346 349282287 /nfs/dbraw/zinc/28/22/87/349282287.db2.gz PMPHWKKTXGIQGG-UHFFFAOYSA-N 0 0 236.267 2.066 10 0 BEAERN CC(=NN)c1cc(Cl)cc(Cl)c1[O-] ZINC000257351087 349397584 /nfs/dbraw/zinc/39/75/84/349397584.db2.gz CASVZNKXIBRZOU-UHFFFAOYSA-N 0 0 219.071 2.382 10 0 BEAERN Cc1nc(C)c(F)c(NCc2ccoc2)n1 ZINC000309880927 179916919 /nfs/dbraw/zinc/91/69/19/179916919.db2.gz VHFHGYSYIGYQHZ-UHFFFAOYSA-N 0 0 221.235 2.438 10 0 BEAERN C[C@@H]1[C@H](C)SCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253062081 490270653 /nfs/dbraw/zinc/27/06/53/490270653.db2.gz FOFKARKPGGGPGK-CSYMLDBXSA-N 0 0 239.384 2.385 10 0 BEAERN COC(=O)[C@@]1(C(C)C)OC12CC(C)(C)C2 ZINC000306839580 538045264 /nfs/dbraw/zinc/04/52/64/538045264.db2.gz ZHIDDFHIHMZIEI-GFCCVEGCSA-N 0 0 212.289 2.143 10 0 BEAERN CCN1CC[C@H](c2cnno2)c2ccccc21 ZINC000616590821 350018473 /nfs/dbraw/zinc/01/84/73/350018473.db2.gz TWCSKDVGJPSUHD-NSHDSACASA-N 0 0 229.283 2.432 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1C(F)(F)F ZINC000616587050 349410827 /nfs/dbraw/zinc/41/08/27/349410827.db2.gz ZMFVXWCHTAQZIQ-JTQLQIEISA-N 0 0 244.216 2.396 10 0 BEAERN CC(C)(C)[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])CC[N@@H+]2C1 ZINC000725254186 538043790 /nfs/dbraw/zinc/04/37/90/538043790.db2.gz RGQCBUKICDKOIP-MXWKQRLJSA-N 0 0 225.332 2.218 10 0 BEAERN Cc1nc(CN2[C@@H](C)COC[C@@H]2C)cs1 ZINC000077367617 179963574 /nfs/dbraw/zinc/96/35/74/179963574.db2.gz LDOVJBWESHIGDS-IUCAKERBSA-N 0 0 226.345 2.061 10 0 BEAERN Cc1nc(CNC(=O)C[C@@H](C)CC(C)C)no1 ZINC000134997286 179964562 /nfs/dbraw/zinc/96/45/62/179964562.db2.gz VHYYOBDRRQDOBI-VIFPVBQESA-N 0 0 239.319 2.067 10 0 BEAERN COc1cc(F)cc(C#N)c1Br ZINC000217055156 350033577 /nfs/dbraw/zinc/03/35/77/350033577.db2.gz HHTJSVIKOHVOKR-UHFFFAOYSA-N 0 0 230.036 2.468 10 0 BEAERN Clc1nc([C@@H]2CCOC2)nc2c1CCC2 ZINC000051691314 350049493 /nfs/dbraw/zinc/04/94/93/350049493.db2.gz SYJZAWGDFZXCLR-SSDOTTSWSA-N 0 0 224.691 2.123 10 0 BEAERN Cc1ccc(C(N)=O)c(C)c1Br ZINC000204481133 538048790 /nfs/dbraw/zinc/04/87/90/538048790.db2.gz OVUGMLVGQLTCGC-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN Cc1nc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000123360536 179989840 /nfs/dbraw/zinc/98/98/40/179989840.db2.gz LNDKGJFXEADBDU-IMTBSYHQSA-N 0 0 224.691 2.182 10 0 BEAERN Cc1nc(N)sc1SCc1ncccn1 ZINC000054460225 180001530 /nfs/dbraw/zinc/00/15/30/180001530.db2.gz RSDMAZMBTPXYPQ-UHFFFAOYSA-N 0 0 238.341 2.116 10 0 BEAERN Cc1nc(NC(=O)C[C@H](C)C(C)(C)C)n[nH]1 ZINC000108810236 180006339 /nfs/dbraw/zinc/00/63/39/180006339.db2.gz KVDFFFNAEGOPGC-ZETCQYMHSA-N 0 0 224.308 2.124 10 0 BEAERN Cc1nc(NC(=O)C[C@@H](O)C(C)C)sc1C ZINC000178900733 180007398 /nfs/dbraw/zinc/00/73/98/180007398.db2.gz UVMNVTLPHGSGHF-SECBINFHSA-N 0 0 242.344 2.105 10 0 BEAERN CC[C@@H](C)N(C)C(=O)NCc1cscn1 ZINC000051751400 350091428 /nfs/dbraw/zinc/09/14/28/350091428.db2.gz CAYRECWDMGLJHI-MRVPVSSYSA-N 0 0 227.333 2.083 10 0 BEAERN Cc1nc(NC[C@@H](C)O)nc(C)c1CC(C)C ZINC000120466734 180019473 /nfs/dbraw/zinc/01/94/73/180019473.db2.gz IAZRQGHOHPEKOT-SECBINFHSA-N 0 0 237.347 2.085 10 0 BEAERN Cc1nc(N[C@H]2CC[C@@H](O)C2)sc1C ZINC000307359083 180025685 /nfs/dbraw/zinc/02/56/85/180025685.db2.gz BFMCFKJSHTUJRU-DTWKUNHWSA-N 0 0 212.318 2.085 10 0 BEAERN Cc1[nH]c([C@@H](C)[NH3+])nc1-c1ccccc1 ZINC000036872261 180033134 /nfs/dbraw/zinc/03/31/34/180033134.db2.gz QVKFQKPUNLPBMO-MRVPVSSYSA-N 0 0 201.273 2.405 10 0 BEAERN C=Cn1cc(CN[C@@H](C)c2ncc(C)o2)cn1 ZINC000219484609 350128638 /nfs/dbraw/zinc/12/86/38/350128638.db2.gz LVLPZXWHVBQAQT-JTQLQIEISA-N 0 0 232.287 2.131 10 0 BEAERN Cc1nc([C@H](N)c2ccc(OC(C)C)cc2)no1 ZINC000037742893 180055457 /nfs/dbraw/zinc/05/54/57/180055457.db2.gz KPODAWCFYVELCZ-GFCCVEGCSA-N 0 0 247.298 2.213 10 0 BEAERN Cc1nc([C@H](N)c2ccco2)sc1C ZINC000011822567 180055487 /nfs/dbraw/zinc/05/54/87/180055487.db2.gz MWJBWGKQPDDSFE-SECBINFHSA-N 0 0 208.286 2.401 10 0 BEAERN CC(=O)Oc1ccccc1-c1ncc[nH]1 ZINC000089202492 191020749 /nfs/dbraw/zinc/02/07/49/191020749.db2.gz MQIQLEPEEIJBGH-UHFFFAOYSA-N 0 0 202.213 2.002 10 0 BEAERN CCOC(=O)c1cc(F)cnc1C(F)(F)F ZINC000309176698 350121025 /nfs/dbraw/zinc/12/10/25/350121025.db2.gz YELNQNLCIGXSHW-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN C[C@@H]1CCC(=O)N[C@H](C(F)(F)F)CC1 ZINC000725255770 538052698 /nfs/dbraw/zinc/05/26/98/538052698.db2.gz AMPSDFQDDAAUSQ-BQBZGAKWSA-N 0 0 209.211 2.244 10 0 BEAERN CCCCCCSN1C(=O)CCC1=O ZINC000219429850 350126742 /nfs/dbraw/zinc/12/67/42/350126742.db2.gz BURNLRFPKNWUDQ-UHFFFAOYSA-N 0 0 215.318 2.364 10 0 BEAERN CC[C@@H](C)c1csc(CS(C)(=O)=O)n1 ZINC000132520920 191033289 /nfs/dbraw/zinc/03/32/89/191033289.db2.gz ZJUQVVWVEKNYKZ-SSDOTTSWSA-N 0 0 233.358 2.201 10 0 BEAERN Cc1nc2c(ccc3c2S[C@H](N)N3)s1 ZINC000211739299 180073936 /nfs/dbraw/zinc/07/39/36/180073936.db2.gz NEWATQNMDCEBKS-SECBINFHSA-N 0 0 223.326 2.365 10 0 BEAERN Cc1nc2cc(C=O)ccn2c1Br ZINC000082328925 180078499 /nfs/dbraw/zinc/07/84/99/180078499.db2.gz ANQGCMFRRJMRSM-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN Cc1nc2ccc(N(C)C)cc2nc1C ZINC000039117938 180092605 /nfs/dbraw/zinc/09/26/05/180092605.db2.gz UTCTZGFLUQMBFX-UHFFFAOYSA-N 0 0 201.273 2.313 10 0 BEAERN c1cc(CNCc2cccc3c2OCCO3)co1 ZINC000132377430 191030329 /nfs/dbraw/zinc/03/03/29/191030329.db2.gz JZQRCUYQDMMSGR-UHFFFAOYSA-N 0 0 245.278 2.341 10 0 BEAERN CC[C@H](C(=O)[C@H](C)OC)C(=O)C(C)(C)C ZINC000725257095 538062296 /nfs/dbraw/zinc/06/22/96/538062296.db2.gz ICBXKGZWVRSNSR-DTWKUNHWSA-N 0 0 214.305 2.232 10 0 BEAERN Cc1ncc(C(=O)N[C@H]2C[C@@H]2C)c(C(C)C)n1 ZINC000172138475 180135052 /nfs/dbraw/zinc/13/50/52/180135052.db2.gz FMLRBMPTZBWVPT-KWQFWETISA-N 0 0 233.315 2.047 10 0 BEAERN Cc1nc(=O)c2cc(Br)sc2[nH]1 ZINC000044672102 180115707 /nfs/dbraw/zinc/11/57/07/180115707.db2.gz FPURGQYERSQEGY-UHFFFAOYSA-N 0 0 245.101 2.056 10 0 BEAERN Cc1nc(=O)c2c(C3CC3)csc2[nH]1 ZINC000036226144 180116784 /nfs/dbraw/zinc/11/67/84/180116784.db2.gz VPOPJUQQWUUFOW-UHFFFAOYSA-N 0 0 206.270 2.170 10 0 BEAERN CCN1CC(=O)N(c2c(C)cccc2C)[C@H]1C ZINC000033903007 350169733 /nfs/dbraw/zinc/16/97/33/350169733.db2.gz CVIWUPKHXMVJBQ-LBPRGKRZSA-N 0 0 232.327 2.318 10 0 BEAERN Cc1ncc(CNc2c(C)n[nH]c2C)s1 ZINC000037797181 180159916 /nfs/dbraw/zinc/15/99/16/180159916.db2.gz DCSVEGBDXVPSCR-UHFFFAOYSA-N 0 0 222.317 2.404 10 0 BEAERN Cc1ncc(CNC2N=NC(=S)S2)s1 ZINC000049534004 180160200 /nfs/dbraw/zinc/16/02/00/180160200.db2.gz ZCNNFBOQONPFBJ-UHFFFAOYSA-N 0 0 244.370 2.204 10 0 BEAERN Cc1nccc(CN[C@@H](C)c2ccncc2)n1 ZINC000038037374 180191959 /nfs/dbraw/zinc/19/19/59/180191959.db2.gz PQLSRJFAIFFFGL-JTQLQIEISA-N 0 0 228.299 2.031 10 0 BEAERN Cc1nccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000282031815 180201504 /nfs/dbraw/zinc/20/15/04/180201504.db2.gz ZIBDVGFEQWWRKC-PEGIJTEDSA-N 0 0 235.331 2.401 10 0 BEAERN Cc1nccc(N[C@H](C)c2ccncc2)n1 ZINC000054935834 180205128 /nfs/dbraw/zinc/20/51/28/180205128.db2.gz SBRMUELXFWDAEJ-SECBINFHSA-N 0 0 214.272 2.353 10 0 BEAERN Cc1nccc(Oc2ccc(N)cc2F)n1 ZINC000054936649 180207914 /nfs/dbraw/zinc/20/79/14/180207914.db2.gz IDKCQZAATDNSGW-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1ncc2c(Cl)ncc(Cl)n12 ZINC000089195440 180176537 /nfs/dbraw/zinc/17/65/37/180176537.db2.gz YPZCNARNBCBYIQ-UHFFFAOYSA-N 0 0 202.044 2.345 10 0 BEAERN Cc1nccnc1N[C@H](C)c1cccc(O)c1 ZINC000357237330 180180732 /nfs/dbraw/zinc/18/07/32/180180732.db2.gz LCOBKPQWAPMLPO-SECBINFHSA-N 0 0 229.283 2.086 10 0 BEAERN Cc1nccc(CNCc2cc(F)cc(F)c2)n1 ZINC000125612759 180189970 /nfs/dbraw/zinc/18/99/70/180189970.db2.gz DXFJWDYVZKFQNH-UHFFFAOYSA-N 0 0 249.264 2.353 10 0 BEAERN Brc1occc1-c1cncnc1 ZINC000072191936 187442856 /nfs/dbraw/zinc/44/28/56/187442856.db2.gz XPCAVZKYGPGOLD-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Cc1ncccc1NCC1CCOCC1 ZINC000085711596 180227083 /nfs/dbraw/zinc/22/70/83/180227083.db2.gz JEYNHYVCLHSBTH-UHFFFAOYSA-N 0 0 206.289 2.229 10 0 BEAERN Cc1ncccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000165320482 180228195 /nfs/dbraw/zinc/22/81/95/180228195.db2.gz FCQFRXWNMRZLSC-CMPLNLGQSA-N 0 0 231.343 2.427 10 0 BEAERN Cc1nccn1-c1cncc(N[C@H]2CC2(C)C)n1 ZINC000329138634 180229687 /nfs/dbraw/zinc/22/96/87/180229687.db2.gz IIYQTWGBWNNHFN-JTQLQIEISA-N 0 0 243.314 2.181 10 0 BEAERN COC(=O)[C@@H](C)COCc1ccccc1 ZINC000034080276 350253871 /nfs/dbraw/zinc/25/38/71/350253871.db2.gz HJSABQZRAXEJNQ-JTQLQIEISA-N 0 0 208.257 2.012 10 0 BEAERN Cc1ncn(CCOc2cccc(N)c2)c1C ZINC000051925962 180287870 /nfs/dbraw/zinc/28/78/70/180287870.db2.gz RJUUCAXYNYHMCY-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN COC(=O)c1cc(C)cc(O)c1Br ZINC000223923143 350297853 /nfs/dbraw/zinc/29/78/53/350297853.db2.gz FOZSRINXYXMJAO-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN Cc1ncn(Cc2nccn2C(C)C)c1C ZINC000264928459 180289833 /nfs/dbraw/zinc/28/98/33/180289833.db2.gz PBWSNGNYTRCKBG-UHFFFAOYSA-N 0 0 218.304 2.326 10 0 BEAERN Cc1ccccc1CC(=O)[C@@H]1CCCO1 ZINC000038126904 350307788 /nfs/dbraw/zinc/30/77/88/350307788.db2.gz XYBDMEYGUVQSGF-ZDUSSCGKSA-N 0 0 204.269 2.286 10 0 BEAERN Cc1nc2cc(F)c(NCCF)cc2c(=O)[nH]1 ZINC000725262015 538088110 /nfs/dbraw/zinc/08/81/10/538088110.db2.gz QZYXYMDREBMFQC-UHFFFAOYSA-N 0 0 239.225 2.164 10 0 BEAERN Cc1ncn(-c2c(N)ccc(F)c2F)c1C ZINC000053167947 180284984 /nfs/dbraw/zinc/28/49/84/180284984.db2.gz IZYGZZOBNOOQEP-UHFFFAOYSA-N 0 0 223.226 2.350 10 0 BEAERN CCOC(=N)c1cc2c(c(Cl)c1)OCO2 ZINC000037928173 350292000 /nfs/dbraw/zinc/29/20/00/350292000.db2.gz ANVRASCRRSFBKV-UHFFFAOYSA-N 0 0 227.647 2.431 10 0 BEAERN COC(=N)c1cc(Br)cs1 ZINC000037928049 350292016 /nfs/dbraw/zinc/29/20/16/350292016.db2.gz XWRJINLRRHAXMY-UHFFFAOYSA-N 0 0 220.091 2.482 10 0 BEAERN CC[C@H](Nc1ccccc1Cl)C(N)=O ZINC000037942370 350293023 /nfs/dbraw/zinc/29/30/23/350293023.db2.gz KXWVPTPVCQVVPK-QMMMGPOBSA-N 0 0 212.680 2.016 10 0 BEAERN CC[C@@H](Nc1cccc(Cl)c1)C(N)=O ZINC000037942572 350293061 /nfs/dbraw/zinc/29/30/61/350293061.db2.gz KGUCADJBVUAURN-SECBINFHSA-N 0 0 212.680 2.016 10 0 BEAERN C[C@H]1C[C@](O)(C(F)(F)Br)CS1 ZINC000225656268 350369252 /nfs/dbraw/zinc/36/92/52/350369252.db2.gz ZNGQCAIHXJSGOD-CRCLSJGQSA-N 0 0 247.104 2.231 10 0 BEAERN Cc1ncncc1NCc1cccs1 ZINC000083344421 180296570 /nfs/dbraw/zinc/29/65/70/180296570.db2.gz OFJOSSALULEAOJ-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN Cc1ncsc1[C@@H](C)NCc1cc[nH]n1 ZINC000041015610 180326560 /nfs/dbraw/zinc/32/65/60/180326560.db2.gz NSIZQCGKYAJOHB-SSDOTTSWSA-N 0 0 222.317 2.025 10 0 BEAERN Cc1ncsc1[C@H](C)Nc1ccn(C)n1 ZINC000037471845 180327153 /nfs/dbraw/zinc/32/71/53/180327153.db2.gz AXMVLZYWYIQJRY-QMMMGPOBSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nn(-c2cccc(N)c2)c(C)c1C ZINC000040731318 180328448 /nfs/dbraw/zinc/32/84/48/180328448.db2.gz IXFQITSRWFBKJF-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1nn(-c2ccccc2)c(C)c1CCO ZINC000026546633 180328634 /nfs/dbraw/zinc/32/86/34/180328634.db2.gz OCBPGDBMNJQQSE-UHFFFAOYSA-N 0 0 216.284 2.024 10 0 BEAERN Cc1nn(-c2nc(N)sc2C)c(C)c1Cl ZINC000015936763 180330056 /nfs/dbraw/zinc/33/00/56/180330056.db2.gz IURUSJDUGKJNTP-UHFFFAOYSA-N 0 0 242.735 2.490 10 0 BEAERN CCC[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000606619420 350393765 /nfs/dbraw/zinc/39/37/65/350393765.db2.gz ZQEOCIALEZXYDW-AXFHLTTASA-N 0 0 210.321 2.369 10 0 BEAERN CCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000606619422 350393854 /nfs/dbraw/zinc/39/38/54/350393854.db2.gz ZQEOCIALEZXYDW-GARJFASQSA-N 0 0 210.321 2.369 10 0 BEAERN Cc1nn(C)c(C)c1NC(=O)Cc1ccccc1 ZINC000027927101 180343437 /nfs/dbraw/zinc/34/34/37/180343437.db2.gz ZPEBRCVXVKQTIU-UHFFFAOYSA-N 0 0 243.310 2.218 10 0 BEAERN Cc1nn(C)c(Nc2ccc(F)cc2)c1N ZINC000036749190 180360126 /nfs/dbraw/zinc/36/01/26/180360126.db2.gz CLAUOCDGHZZQGC-UHFFFAOYSA-N 0 0 220.251 2.193 10 0 BEAERN CCOC(=O)/C=C/C(=O)c1ccc(F)cc1 ZINC000032099161 350409033 /nfs/dbraw/zinc/40/90/33/350409033.db2.gz HEMDRKHHUFUGRF-BQYQJAHWSA-N 0 0 222.215 2.128 10 0 BEAERN Cc1nn(C)c(N(CC(C)C)C(C)C)c1C=O ZINC000042585194 180353616 /nfs/dbraw/zinc/35/36/16/180353616.db2.gz CWLSXPSRNXULSG-UHFFFAOYSA-N 0 0 237.347 2.412 10 0 BEAERN Cc1nn(C)c(N(C)[C@H](C)CC(C)C)c1CO ZINC000042586005 180353998 /nfs/dbraw/zinc/35/39/98/180353998.db2.gz WQEVWMFUFMQLRK-SNVBAGLBSA-N 0 0 239.363 2.092 10 0 BEAERN Cc1nn(C)c(N2CCc3ccccc32)c1N ZINC000036748936 180357026 /nfs/dbraw/zinc/35/70/26/180357026.db2.gz OZWZWFGABJDYNB-UHFFFAOYSA-N 0 0 228.299 2.005 10 0 BEAERN Cc1nn(C)c(NCCCc2ccccc2)c1N ZINC000037719516 180357861 /nfs/dbraw/zinc/35/78/61/180357861.db2.gz FRGFTNQTUNOQFC-UHFFFAOYSA-N 0 0 244.342 2.355 10 0 BEAERN Cc1nn(C)c(NCCc2ccccc2F)c1N ZINC000036749055 180358417 /nfs/dbraw/zinc/35/84/17/180358417.db2.gz DDBZZDJEEMLLEG-UHFFFAOYSA-N 0 0 248.305 2.104 10 0 BEAERN Cc1nn(C)c(NCc2ccc(F)cc2)c1N ZINC000036749073 180358443 /nfs/dbraw/zinc/35/84/43/180358443.db2.gz ODDQTGNVGQRSGH-UHFFFAOYSA-N 0 0 234.278 2.062 10 0 BEAERN Cc1nn(C)c(NCc2ccccc2F)c1N ZINC000036749082 180358906 /nfs/dbraw/zinc/35/89/06/180358906.db2.gz GCFPMEYVQLQOEE-UHFFFAOYSA-N 0 0 234.278 2.062 10 0 BEAERN Cc1nn(C)c(OC2CCCCC2)c1C=O ZINC000026514865 180359585 /nfs/dbraw/zinc/35/95/85/180359585.db2.gz NISBQONPKWTROH-UHFFFAOYSA-N 0 0 222.288 2.253 10 0 BEAERN Cc1nn(C)c(Nc2ccc(F)c(F)c2)c1N ZINC000036749179 180360638 /nfs/dbraw/zinc/36/06/38/180360638.db2.gz SHIBPZKJVTZDCQ-UHFFFAOYSA-N 0 0 238.241 2.333 10 0 BEAERN Cc1nn(C)c(OCC2CCCCC2)c1N ZINC000052146292 180359977 /nfs/dbraw/zinc/35/99/77/180359977.db2.gz ZGILCTUPTIEWAP-UHFFFAOYSA-N 0 0 223.320 2.270 10 0 BEAERN CC(C)N(c1ccc(N)c2nonc21)C(C)C ZINC000725264869 538091683 /nfs/dbraw/zinc/09/16/83/538091683.db2.gz NYHVVTHCKOOEHK-UHFFFAOYSA-N 0 0 234.303 2.428 10 0 BEAERN Nc1cnc(NCc2ccsc2)s1 ZINC000226742680 350450952 /nfs/dbraw/zinc/45/09/52/350450952.db2.gz MHFHAAZWQLMIFP-UHFFFAOYSA-N 0 0 211.315 2.399 10 0 BEAERN CCCc1cc(C(=O)OCC)n(CC)n1 ZINC000014985160 350474089 /nfs/dbraw/zinc/47/40/89/350474089.db2.gz MVJRWZJSSDYLBG-UHFFFAOYSA-N 0 0 210.277 2.032 10 0 BEAERN Nc1cc(Cl)cc2[nH]nc(Cl)c21 ZINC000014984756 350474471 /nfs/dbraw/zinc/47/44/71/350474471.db2.gz JRXMADLFFOBMOJ-UHFFFAOYSA-N 0 0 202.044 2.452 10 0 BEAERN CCn1c(=O)[nH]c(=S)cc1-c1ccsc1 ZINC000409437365 350481525 /nfs/dbraw/zinc/48/15/25/350481525.db2.gz FTHLSYKGPYIGLP-UHFFFAOYSA-N 0 0 238.337 2.280 10 0 BEAERN COC(=N)CCc1c[nH]nc1-c1ccoc1 ZINC000409439453 350482162 /nfs/dbraw/zinc/48/21/62/350482162.db2.gz HXNCGEAYZFVUOP-UHFFFAOYSA-N 0 0 219.244 2.226 10 0 BEAERN CC(C)(C)N1C[C@H](CO)Cc2ccccc21 ZINC000616592902 350483523 /nfs/dbraw/zinc/48/35/23/350483523.db2.gz MNMRNWOEATXEHD-LLVKDONJSA-N 0 0 219.328 2.456 10 0 BEAERN Cc1nn([C@H]2CCCCC[C@@H]2O)c(C)c1C=O ZINC000054600420 180393542 /nfs/dbraw/zinc/39/35/42/180393542.db2.gz UMNFBNDKTFGYLU-STQMWFEESA-N 0 0 236.315 2.179 10 0 BEAERN Cc1cc(C2N=NC(=S)N2C)sc1C ZINC000228195134 350532798 /nfs/dbraw/zinc/53/27/98/350532798.db2.gz DSERABFNPQOCJG-UHFFFAOYSA-N 0 0 225.342 2.449 10 0 BEAERN C[C@H]1SCCS[C@@H]1c1nsc(N)n1 ZINC000228072103 350527009 /nfs/dbraw/zinc/52/70/09/350527009.db2.gz QWDBAKUXCXMQEK-UHNVWZDZSA-N 0 0 233.387 2.030 10 0 BEAERN COC[C@@H]1CNc2ccc(Cl)cc2N1 ZINC000228432675 350541811 /nfs/dbraw/zinc/54/18/11/350541811.db2.gz WTKINSQFJZGESC-QMMMGPOBSA-N 0 0 212.680 2.192 10 0 BEAERN C[C@@H](SCCO)C(=O)c1ccc(F)cc1 ZINC000037352896 362967252 /nfs/dbraw/zinc/96/72/52/362967252.db2.gz YZBGCYHMSPCUMT-MRVPVSSYSA-N 0 0 228.288 2.122 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H]1CCC[C@@H](C)C1 ZINC000725266629 538096439 /nfs/dbraw/zinc/09/64/39/538096439.db2.gz WHPPJVBXNCANHM-RKDXNWHRSA-N 0 0 237.303 2.275 10 0 BEAERN CC(C)(C)N1C[C@@H](CO)O[C@H]1c1ccccc1 ZINC000090697916 187454179 /nfs/dbraw/zinc/45/41/79/187454179.db2.gz JERBWURCWWHQBK-STQMWFEESA-N 0 0 235.327 2.177 10 0 BEAERN Cc1nnc(NCC(=O)c2ccccc2)s1 ZINC000033864748 180432448 /nfs/dbraw/zinc/43/24/48/180432448.db2.gz ZJHDOYROHOPXHV-UHFFFAOYSA-N 0 0 233.296 2.141 10 0 BEAERN CNC(=O)c1cccc(SC)c1OC1CC1 ZINC000095725008 187455874 /nfs/dbraw/zinc/45/58/74/187455874.db2.gz XRKNAXZZCMMDMF-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CC(C)[N@@H+]1CCO[C@@H](c2ccncc2)CC1 ZINC000616595424 350607184 /nfs/dbraw/zinc/60/71/84/350607184.db2.gz LMKQUHWJVUVPGJ-CYBMUJFWSA-N 0 0 220.316 2.253 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H]1CCC[C@H](C)C1 ZINC000725266628 538096863 /nfs/dbraw/zinc/09/68/63/538096863.db2.gz WHPPJVBXNCANHM-IUCAKERBSA-N 0 0 237.303 2.275 10 0 BEAERN C[N@@H+]1CCCOC[C@H]1c1cccc2nnccc21 ZINC000616596899 350638310 /nfs/dbraw/zinc/63/83/10/350638310.db2.gz JVYFOOUCELWXQQ-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN Cc1noc(-c2ccccc2N[C@@H]2CCOC2)n1 ZINC000104052002 180459861 /nfs/dbraw/zinc/45/98/61/180459861.db2.gz RXCSIFXCWHAIKU-SNVBAGLBSA-N 0 0 245.282 2.246 10 0 BEAERN CCN(Cc1nnc(C)n1C1CC1)CC1CC1 ZINC000112210575 350653085 /nfs/dbraw/zinc/65/30/85/350653085.db2.gz JARJBVFIBARXPN-UHFFFAOYSA-N 0 0 234.347 2.153 10 0 BEAERN COc1cccc2nc([C@H]3CCOC3)c(O)cc21 ZINC000725267420 538098362 /nfs/dbraw/zinc/09/83/62/538098362.db2.gz GAQGXBKADJFQCY-VIFPVBQESA-N 0 0 245.278 2.453 10 0 BEAERN Cc1cc(N)n([C@@H](C)c2ccc(C)o2)n1 ZINC000043664518 187461638 /nfs/dbraw/zinc/46/16/38/187461638.db2.gz LPERDTNPUHFFBG-VIFPVBQESA-N 0 0 205.261 2.284 10 0 BEAERN CSC1(Cn2c(C)c[nH]c2=S)CC1 ZINC000235234258 350714280 /nfs/dbraw/zinc/71/42/80/350714280.db2.gz YBILFZAPTDMROA-UHFFFAOYSA-N 0 0 214.359 2.376 10 0 BEAERN CCOc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000233794166 350685390 /nfs/dbraw/zinc/68/53/90/350685390.db2.gz LKWIJWRNIWZGFK-UHFFFAOYSA-N 0 0 230.267 2.144 10 0 BEAERN C/C=C/C=C/C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127580190 187467507 /nfs/dbraw/zinc/46/75/07/187467507.db2.gz HNTMAGRBFWQDRO-UXKXDZBJSA-N 0 0 249.354 2.272 10 0 BEAERN O[C@H](c1cc[nH]c1)c1ccoc1Br ZINC000236583059 350739503 /nfs/dbraw/zinc/73/95/03/350739503.db2.gz XGLGRVTYHCTEIE-MRVPVSSYSA-N 0 0 242.072 2.452 10 0 BEAERN c1ncc([C@@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000616601229 350781638 /nfs/dbraw/zinc/78/16/38/350781638.db2.gz AJDAZHURXLVEMT-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN CNc1ccc([C@H]2CCCCN(C(N)=O)C2)cc1 ZINC000616601507 350782341 /nfs/dbraw/zinc/78/23/41/350782341.db2.gz HYVJDTAZKQTNOR-LBPRGKRZSA-N 0 0 247.342 2.377 10 0 BEAERN O[C@H](Cc1nccs1)c1ccccc1 ZINC000063037630 350787438 /nfs/dbraw/zinc/78/74/38/350787438.db2.gz VHHSGAORLNOTAZ-SNVBAGLBSA-N 0 0 205.282 2.419 10 0 BEAERN CC(C)[C@H](O)Cc1ncccc1Br ZINC000063039316 350787558 /nfs/dbraw/zinc/78/75/58/350787558.db2.gz UVVSPUVCHLHYOU-SNVBAGLBSA-N 0 0 244.132 2.404 10 0 BEAERN CN1CCO[C@H](c2cc3ccccc3cn2)C1 ZINC000616603358 350789016 /nfs/dbraw/zinc/78/90/16/350789016.db2.gz MXBNYLBZBFHTSW-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN COc1ccc([C@H]2CCCCN(C(N)=O)C2)cc1 ZINC000616603731 350789663 /nfs/dbraw/zinc/78/96/63/350789663.db2.gz VKXPFUNDJNLYDB-LBPRGKRZSA-N 0 0 248.326 2.343 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1cccc(CO)c1 ZINC000616606737 350798015 /nfs/dbraw/zinc/79/80/15/350798015.db2.gz JEWOMNHBRJOHMZ-GFCCVEGCSA-N 0 0 235.283 2.082 10 0 BEAERN COC(=O)N1CCC[C@H]1c1ccccc1N ZINC000616607645 350802167 /nfs/dbraw/zinc/80/21/67/350802167.db2.gz WLFRXXCMWNFTTD-NSHDSACASA-N 0 0 220.272 2.172 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cnc2ccccc2c1 ZINC000616609512 350802643 /nfs/dbraw/zinc/80/26/43/350802643.db2.gz CQSAQKSEMRQDFN-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cnno1 ZINC000616608066 350802739 /nfs/dbraw/zinc/80/27/39/350802739.db2.gz UNZCNWOELQLEEM-MRVPVSSYSA-N 0 0 239.275 2.142 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616610446 350805673 /nfs/dbraw/zinc/80/56/73/350805673.db2.gz QPTGOEGZESQLPF-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN CCOC(=O)N1CC[C@H](c2ccccc2CO)C1 ZINC000616610869 350806756 /nfs/dbraw/zinc/80/67/56/350806756.db2.gz ZVEIMJONXGPXRP-NSHDSACASA-N 0 0 249.310 2.125 10 0 BEAERN NC(=O)N1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616611635 350809835 /nfs/dbraw/zinc/80/98/35/350809835.db2.gz QOXIAPHFPKXEGG-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccccc1F ZINC000167933818 350811580 /nfs/dbraw/zinc/81/15/80/350811580.db2.gz KLTATDJEPUHIGU-PELKAZGASA-N 0 0 208.232 2.433 10 0 BEAERN Cc1cccc2c1N[C@H](C1CCOCC1)[C@@H](O)C2 ZINC000725268110 538099398 /nfs/dbraw/zinc/09/93/98/538099398.db2.gz KFPWRXFSHHKHTF-DZGCQCFKSA-N 0 0 247.338 2.119 10 0 BEAERN CCc1ccc([C@@H](O)c2ccsn2)o1 ZINC000306678022 350833173 /nfs/dbraw/zinc/83/31/73/350833173.db2.gz HKWZZSFDTQRKPM-JTQLQIEISA-N 0 0 209.270 2.380 10 0 BEAERN CO[C@@H]1CCC[C@H]1Oc1cccnc1F ZINC000306678781 350833405 /nfs/dbraw/zinc/83/34/05/350833405.db2.gz HEKMHYAFTYJGPQ-RKDXNWHRSA-N 0 0 211.236 2.167 10 0 BEAERN Cc1cc(Br)cc(F)c1NCCO ZINC000306679037 350834448 /nfs/dbraw/zinc/83/44/48/350834448.db2.gz AVGLZPPUQIOWMD-UHFFFAOYSA-N 0 0 248.095 2.301 10 0 BEAERN O=Cc1ccc(Cl)nc1OC(F)F ZINC000306687539 350842816 /nfs/dbraw/zinc/84/28/16/350842816.db2.gz LPNXRXOGTRFIOF-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN OCc1ncoc1[C@@H]1CCCC1(F)F ZINC000306697880 350848173 /nfs/dbraw/zinc/84/81/73/350848173.db2.gz CCFBKBSGKFNSFY-LURJTMIESA-N 0 0 203.188 2.070 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(N)c1Cl ZINC000247809297 350851141 /nfs/dbraw/zinc/85/11/41/350851141.db2.gz BRLIQOZDWKPGTF-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN C[C@@]1([C@@H]2CC(=O)CCO2)CCCS1 ZINC000306704939 350853400 /nfs/dbraw/zinc/85/34/00/350853400.db2.gz CSKGNJWIMXQSNR-UWVGGRQHSA-N 0 0 200.303 2.020 10 0 BEAERN Cc1cc(Cc2ccnc(N)c2)sn1 ZINC000306707082 350854802 /nfs/dbraw/zinc/85/48/02/350854802.db2.gz MJLOZGNALATUBP-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN CNc1ccccc1[C@@H]1CCCCN1C(N)=O ZINC000616616468 350855342 /nfs/dbraw/zinc/85/53/42/350855342.db2.gz VDQMOCGCFLDUJU-LBPRGKRZSA-N 0 0 233.315 2.334 10 0 BEAERN CC1(C)NC(=O)C[C@@H]1[C@]1(C)CCCS1 ZINC000306708505 350856978 /nfs/dbraw/zinc/85/69/78/350856978.db2.gz OFJJXYSZSUYLTC-KWQFWETISA-N 0 0 213.346 2.187 10 0 BEAERN CCCNc1nc2ccsc2c(N)n1 ZINC000306675437 350827035 /nfs/dbraw/zinc/82/70/35/350827035.db2.gz SNNNJIYJGIZNCS-UHFFFAOYSA-N 0 0 208.290 2.095 10 0 BEAERN COc1ccc2c(c1)N[C@@H](C1CCC1)[C@H](O)C2 ZINC000725268018 538099550 /nfs/dbraw/zinc/09/95/50/538099550.db2.gz FPJJUJCQGCKBBJ-KGLIPLIRSA-N 0 0 233.311 2.193 10 0 BEAERN O=c1ncccn1Cc1csc(Cl)c1 ZINC000306731734 350901803 /nfs/dbraw/zinc/90/18/03/350901803.db2.gz QYTAVXXYLANGLI-UHFFFAOYSA-N 0 0 226.688 2.007 10 0 BEAERN Cc1oc(C)c(-c2nnc(N)s2)c1C ZINC000077088696 180530548 /nfs/dbraw/zinc/53/05/48/180530548.db2.gz ZRZNMACOHYJWCO-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN Cc1ccncc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253200176 350919489 /nfs/dbraw/zinc/91/94/89/350919489.db2.gz XAXMWKGSCZUVEO-ZSBIGDGJSA-N 0 0 230.311 2.052 10 0 BEAERN Clc1n[nH]c([C@@H]2Cc3ccccc3O2)n1 ZINC000128959011 350919525 /nfs/dbraw/zinc/91/95/25/350919525.db2.gz PHKVPNYZRZYJAU-QMMMGPOBSA-N 0 0 221.647 2.134 10 0 BEAERN CNc1ccccc1C1CCN(C(C)=O)CC1 ZINC000616619757 350928325 /nfs/dbraw/zinc/92/83/25/350928325.db2.gz QIPWENJQQPVUCC-UHFFFAOYSA-N 0 0 232.327 2.454 10 0 BEAERN O=C1C[C@H](c2c(F)cccc2Br)N1 ZINC000306742447 350932148 /nfs/dbraw/zinc/93/21/48/350932148.db2.gz FYBYCYYHPMGKBU-SSDOTTSWSA-N 0 0 244.063 2.149 10 0 BEAERN C[C@@H](NC1=NC[C@@H](C)S1)C(F)(F)F ZINC000306746357 350934824 /nfs/dbraw/zinc/93/48/24/350934824.db2.gz IVHKGSVXYZQHKS-RFZPGFLSSA-N 0 0 212.240 2.018 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ccnnc1 ZINC000616620230 350937103 /nfs/dbraw/zinc/93/71/03/350937103.db2.gz DBYNJANWZRJFJN-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN COc1nc2c(cccc2Br)[nH]1 ZINC000306711015 350871424 /nfs/dbraw/zinc/87/14/24/350871424.db2.gz XAJBRZLYANPBNF-UHFFFAOYSA-N 0 0 227.061 2.334 10 0 BEAERN OC[C@@]1(Cc2sccc2Cl)CCOC1 ZINC000306723239 350892239 /nfs/dbraw/zinc/89/22/39/350892239.db2.gz GQSMLIWDKSDLBN-JTQLQIEISA-N 0 0 232.732 2.343 10 0 BEAERN Cc1cc(Cl)nc(C2CCOCC2)n1 ZINC000052175969 350960537 /nfs/dbraw/zinc/96/05/37/350960537.db2.gz GCHUNTUKQQSXDH-UHFFFAOYSA-N 0 0 212.680 2.332 10 0 BEAERN Cc1ccc([C@@H](O)Cc2cncs2)o1 ZINC000159660773 350964918 /nfs/dbraw/zinc/96/49/18/350964918.db2.gz WZVXIQPOORLYQO-VIFPVBQESA-N 0 0 209.270 2.321 10 0 BEAERN Fc1cccc(Cl)c1C1(F)CNC1 ZINC000306754017 350966097 /nfs/dbraw/zinc/96/60/97/350966097.db2.gz JZDBCIQQEQTQQV-UHFFFAOYSA-N 0 0 203.619 2.247 10 0 BEAERN O[C@@H](Cc1cncs1)c1ccsc1 ZINC000159662166 350967976 /nfs/dbraw/zinc/96/79/76/350967976.db2.gz FTAUVOHLQYWNOV-VIFPVBQESA-N 0 0 211.311 2.481 10 0 BEAERN C[C@H]([C@@H]1CCCCO1)n1cc[nH]c1=S ZINC000306771552 351008097 /nfs/dbraw/zinc/00/80/97/351008097.db2.gz CMXPSWQEUWCMAY-BDAKNGLRSA-N 0 0 212.318 2.302 10 0 BEAERN O=C(Cc1cncs1)[C@H]1CSCCS1 ZINC000159694389 350974618 /nfs/dbraw/zinc/97/46/18/350974618.db2.gz JRTSUESLDCRIAI-SECBINFHSA-N 0 0 245.394 2.103 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cccnc1N ZINC000616621116 350975443 /nfs/dbraw/zinc/97/54/43/350975443.db2.gz KXWOKXHSRKJBHR-NSHDSACASA-N 0 0 249.314 2.347 10 0 BEAERN Cc1occc1CN(C)C(=O)N[C@@H]1C[C@@H]1C ZINC000170882849 180540442 /nfs/dbraw/zinc/54/04/42/180540442.db2.gz CDKWJYKWCVCQKS-GZMMTYOYSA-N 0 0 222.288 2.138 10 0 BEAERN COC(C)(C)[C@H]1Nc2c(C)cccc2C[C@@H]1O ZINC000725268047 538099719 /nfs/dbraw/zinc/09/97/19/538099719.db2.gz GWJUMZWIEGULJW-AAEUAGOBSA-N 0 0 235.327 2.118 10 0 BEAERN CC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000129120647 350984892 /nfs/dbraw/zinc/98/48/92/350984892.db2.gz KHVGPNAPQHMDCK-LLVKDONJSA-N 0 0 205.301 2.404 10 0 BEAERN C[C@@H]1CC[C@@H](O)[C@H](Cc2cncs2)C1 ZINC000159746492 350993180 /nfs/dbraw/zinc/99/31/80/350993180.db2.gz IPHKZLWICSYNIW-WCABBAIRSA-N 0 0 211.330 2.483 10 0 BEAERN Nc1ncc([C@@H](O)[C@H]2CC=CCC2)s1 ZINC000159823829 351009398 /nfs/dbraw/zinc/00/93/98/351009398.db2.gz SAMMIMSJDBKDPR-CBAPKCEASA-N 0 0 210.302 2.115 10 0 BEAERN O=C(N[C@@H]1CCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398054210 350997437 /nfs/dbraw/zinc/99/74/37/350997437.db2.gz USEWWJMBZPYRQD-UTINFBMNSA-N 0 0 229.270 2.337 10 0 BEAERN NNc1cc2cc(F)ccc2nc1[C@@H]1CCOC1 ZINC000725268074 538099751 /nfs/dbraw/zinc/09/97/51/538099751.db2.gz IOWUDGDFRWAVDJ-MRVPVSSYSA-N 0 0 247.273 2.163 10 0 BEAERN CSc1cccc(C(=O)COC(C)=O)c1 ZINC000382674480 350945858 /nfs/dbraw/zinc/94/58/58/350945858.db2.gz KLJJAXNLECTCGB-UHFFFAOYSA-N 0 0 224.281 2.154 10 0 BEAERN C[C@@H]1CC[C@H](O)[C@@H](CCC(C)(C)O)C1 ZINC000222420320 350956044 /nfs/dbraw/zinc/95/60/44/350956044.db2.gz NLGAMTFWOIKLMX-VWYCJHECSA-N 0 0 200.322 2.335 10 0 BEAERN Cc1sc(C(=O)N[C@H](C)C(C)C)cc1N ZINC000040302385 180557558 /nfs/dbraw/zinc/55/75/58/180557558.db2.gz SYJWTVWCUFMCLM-SSDOTTSWSA-N 0 0 226.345 2.413 10 0 BEAERN Clc1nc(C[C@H]2CCCCO2)ns1 ZINC000129277749 351020024 /nfs/dbraw/zinc/02/00/24/351020024.db2.gz XSSWRAYJJHWYRQ-ZCFIWIBFSA-N 0 0 218.709 2.303 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ccno1 ZINC000616621437 351035426 /nfs/dbraw/zinc/03/54/26/351035426.db2.gz DVWKEDARKKJBEI-SECBINFHSA-N 0 0 224.260 2.358 10 0 BEAERN Cc1onc(-c2ccc(F)c(F)c2)c1CO ZINC000075515358 180552014 /nfs/dbraw/zinc/55/20/14/180552014.db2.gz HZLPCUKIBBMBIM-UHFFFAOYSA-N 0 0 225.194 2.421 10 0 BEAERN CC1(C)CCC[C@@H]1CN1CN=NC1=S ZINC000306792681 351041172 /nfs/dbraw/zinc/04/11/72/351041172.db2.gz BDQHZELNIXDULI-MRVPVSSYSA-N 0 0 211.334 2.393 10 0 BEAERN FC(F)CCNc1cnnc(Cl)c1 ZINC000306791976 351041244 /nfs/dbraw/zinc/04/12/44/351041244.db2.gz ZPXQCUSPEZOKMR-UHFFFAOYSA-N 0 0 207.611 2.197 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(Cl)nc(N)n1 ZINC000231662227 351052052 /nfs/dbraw/zinc/05/20/52/351052052.db2.gz UZUJXAPCJHLXJM-NKWVEPMBSA-N 0 0 226.711 2.313 10 0 BEAERN COc1ccc(COCC(=O)C(C)C)cc1 ZINC000086277209 351052773 /nfs/dbraw/zinc/05/27/73/351052773.db2.gz FQOJHWKTPBDXLD-UHFFFAOYSA-N 0 0 222.284 2.437 10 0 BEAERN CCc1cc(NC(=O)c2cccc(C)c2O)n[nH]1 ZINC000120618965 351055277 /nfs/dbraw/zinc/05/52/77/351055277.db2.gz NPGDWHAIPMNRRR-UHFFFAOYSA-N 0 0 245.282 2.238 10 0 BEAERN COc1cc(C(=O)C(C)(C)C)c(F)cn1 ZINC000306806411 351056499 /nfs/dbraw/zinc/05/64/99/351056499.db2.gz JMYKZIDXISEMRF-UHFFFAOYSA-N 0 0 211.236 2.458 10 0 BEAERN CC[S@](=O)Nc1ccc(Cl)c(O)c1 ZINC000306807214 351059553 /nfs/dbraw/zinc/05/95/53/351059553.db2.gz LOORPNRVRYNAOM-ZDUSSCGKSA-N 0 0 219.693 2.141 10 0 BEAERN Cn1cc(Oc2cc(Cl)nc(Cl)n2)cn1 ZINC000306808086 351060233 /nfs/dbraw/zinc/06/02/33/351060233.db2.gz OCQVHUJZECFMCH-UHFFFAOYSA-N 0 0 245.069 2.309 10 0 BEAERN Cc1cnn(C)c1C(=O)c1cscc1C ZINC000306808905 351062141 /nfs/dbraw/zinc/06/21/41/351062141.db2.gz QKPNHUBTOKUSER-UHFFFAOYSA-N 0 0 220.297 2.329 10 0 BEAERN Nc1cc(Cl)c(N)c(OC(F)(F)F)c1 ZINC000306809803 351063816 /nfs/dbraw/zinc/06/38/16/351063816.db2.gz AMYOALSLZIQRLK-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN Cc1ncc(C(=O)C2(C)CCCC2)n1C ZINC000306771138 351013110 /nfs/dbraw/zinc/01/31/10/351013110.db2.gz CCKIOHYOCKIUII-UHFFFAOYSA-N 0 0 206.289 2.492 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cnco2)CC1 ZINC000616629616 351100863 /nfs/dbraw/zinc/10/08/63/351100863.db2.gz YNMYCADWTPGXBE-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccnnc2)CC1 ZINC000616629523 351100926 /nfs/dbraw/zinc/10/09/26/351100926.db2.gz XPQNEMZHIKUZOE-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN CC(=O)N1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000616629500 351100945 /nfs/dbraw/zinc/10/09/45/351100945.db2.gz XNZZIJYWHZFIND-CQSZACIVSA-N 0 0 247.338 2.295 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ccon2)C1 ZINC000616630385 351102455 /nfs/dbraw/zinc/10/24/55/351102455.db2.gz WQOKXGMEOYCLHY-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN COc1ccc([C@@H]2CCCCN(C(N)=O)C2)cc1 ZINC000616630854 351104722 /nfs/dbraw/zinc/10/47/22/351104722.db2.gz VKXPFUNDJNLYDB-GFCCVEGCSA-N 0 0 248.326 2.343 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccncc2)CC1 ZINC000616631408 351105135 /nfs/dbraw/zinc/10/51/35/351105135.db2.gz TZNLBOHNSDNOKT-LLVKDONJSA-N 0 0 234.299 2.418 10 0 BEAERN CC(=O)N1CCC[C@@H](C(F)(F)F)CC1 ZINC000616626568 351106152 /nfs/dbraw/zinc/10/61/52/351106152.db2.gz ADFYPCWDCPXYHP-MRVPVSSYSA-N 0 0 209.211 2.197 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccccc1F ZINC000616634433 351117116 /nfs/dbraw/zinc/11/71/16/351117116.db2.gz XVFAYUNWLMQLBI-SNVBAGLBSA-N 0 0 208.236 2.041 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cccc2ncccc21 ZINC000616634467 351117139 /nfs/dbraw/zinc/11/71/39/351117139.db2.gz ZGDWWCJFDZNYDP-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN CC1(C)CCCN1c1ncc(CO)s1 ZINC000063074223 351072516 /nfs/dbraw/zinc/07/25/16/351072516.db2.gz FADKEIOUSDYITO-UHFFFAOYSA-N 0 0 212.318 2.014 10 0 BEAERN COC(=O)N1CCCCC[C@H]1C(F)F ZINC000616622570 351086620 /nfs/dbraw/zinc/08/66/20/351086620.db2.gz FSZRPTWIHCVKBQ-ZETCQYMHSA-N 0 0 207.220 2.263 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1ccno1 ZINC000616622508 351087061 /nfs/dbraw/zinc/08/70/61/351087061.db2.gz DVWKEDARKKJBEI-VIFPVBQESA-N 0 0 224.260 2.358 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1c1c[nH]cn1 ZINC000616624014 351090964 /nfs/dbraw/zinc/09/09/64/351090964.db2.gz UMWLUJYDZNSVIN-LLVKDONJSA-N 0 0 237.303 2.483 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1cccc(N)c1 ZINC000616624551 351091797 /nfs/dbraw/zinc/09/17/97/351091797.db2.gz SFKQFHMBNJOUOQ-LBPRGKRZSA-N 0 0 233.315 2.265 10 0 BEAERN COC(=O)N1CCCC[C@H](c2ccno2)C1 ZINC000616628042 351096377 /nfs/dbraw/zinc/09/63/77/351096377.db2.gz JGIZFNMEMBGPNK-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN COC(=O)N1CCC[C@H](c2cnco2)CC1 ZINC000616627975 351096637 /nfs/dbraw/zinc/09/66/37/351096637.db2.gz FZYVOPBNVMFRQC-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CNc1ccc([C@@H]2CCCCN(C(N)=O)C2)cc1 ZINC000616628214 351097550 /nfs/dbraw/zinc/09/75/50/351097550.db2.gz HYVJDTAZKQTNOR-GFCCVEGCSA-N 0 0 247.342 2.377 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616628325 351097958 /nfs/dbraw/zinc/09/79/58/351097958.db2.gz PYDDYBACUBZAGV-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN COC(=O)N1CCC[C@H](c2ccon2)CC1 ZINC000616628828 351099135 /nfs/dbraw/zinc/09/91/35/351099135.db2.gz IJAYKIUTHIFVSX-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cc[nH]n2)CC1 ZINC000616628840 351099567 /nfs/dbraw/zinc/09/95/67/351099567.db2.gz PYDDYBACUBZAGV-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ncccn2)C1 ZINC000616629136 351100132 /nfs/dbraw/zinc/10/01/32/351100132.db2.gz PHDRTZSREOTWBS-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CN1CCOC[C@H]1c1cccc2cccnc21 ZINC000616641104 351147012 /nfs/dbraw/zinc/14/70/12/351147012.db2.gz ACOGTYGLIOEMFU-ZDUSSCGKSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCOC[C@H]1c1cccc2cnccc21 ZINC000616641244 351147807 /nfs/dbraw/zinc/14/78/07/351147807.db2.gz GXRDAOUAJCIDPW-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CCN1CCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616641213 351148054 /nfs/dbraw/zinc/14/80/54/351148054.db2.gz FQVVMIUWEXEKRJ-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CCN1CCOC[C@H]1c1ccccc1NC ZINC000616641534 351148526 /nfs/dbraw/zinc/14/85/26/351148526.db2.gz HWRGRZAQFZHZHB-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN CC(=O)N1CCOC[C@H]1c1ccccc1Cl ZINC000616642754 351154654 /nfs/dbraw/zinc/15/46/54/351154654.db2.gz UTEFHWZFXSSBIZ-LBPRGKRZSA-N 0 0 239.702 2.260 10 0 BEAERN CN1CCO[C@H](c2cncc3ccccc32)C1 ZINC000616643446 351156921 /nfs/dbraw/zinc/15/69/21/351156921.db2.gz NFANQUFBQKQBOD-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CNc1ccccc1[C@@H]1COCCCN1C(C)=O ZINC000616647305 351164982 /nfs/dbraw/zinc/16/49/82/351164982.db2.gz DUYOAVIYMQULHI-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CC(=O)N1CCCOC[C@H]1c1cccc(F)c1 ZINC000616649093 351177611 /nfs/dbraw/zinc/17/76/11/351177611.db2.gz PVVSFYUHJJBIPG-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN Cc1cc(F)c(NCCO)cc1Cl ZINC000306856847 351182770 /nfs/dbraw/zinc/18/27/70/351182770.db2.gz XRYQHUFTNICQEY-UHFFFAOYSA-N 0 0 203.644 2.192 10 0 BEAERN CCOC(=O)N1CCCO[C@H](C(C)(C)C)C1 ZINC000616650672 351184482 /nfs/dbraw/zinc/18/44/82/351184482.db2.gz GUMJKJWHYZJZGD-JTQLQIEISA-N 0 0 229.320 2.280 10 0 BEAERN CNc1ccccc1[C@H]1CN(C(C)=O)CCCO1 ZINC000616654951 351191710 /nfs/dbraw/zinc/19/17/10/351191710.db2.gz NEVYVNMWCDQNNR-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN c1nc([C@@H]2COCCN2Cc2ccccc2)co1 ZINC000616639613 351144012 /nfs/dbraw/zinc/14/40/12/351144012.db2.gz QMFZPKDINQAYLZ-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN CC(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616639788 351144127 /nfs/dbraw/zinc/14/41/27/351144127.db2.gz RJNODFNHYTWZAK-GFCCVEGCSA-N 0 0 239.702 2.260 10 0 BEAERN Nc1cc([C@@H]2CNc3ccccc3C2)ccn1 ZINC000616669934 351229392 /nfs/dbraw/zinc/22/93/92/351229392.db2.gz OZSFSRLHJDVRMK-LBPRGKRZSA-N 0 0 225.295 2.246 10 0 BEAERN c1ccc2c(c1)C[C@H](c1ccnnc1)CN2 ZINC000616670024 351231736 /nfs/dbraw/zinc/23/17/36/351231736.db2.gz QZEHZTBAZUGUFT-LBPRGKRZSA-N 0 0 211.268 2.228 10 0 BEAERN CN1CC[C@@H](c2cn[nH]c2)c2ccccc21 ZINC000616672111 351235082 /nfs/dbraw/zinc/23/50/82/351235082.db2.gz LSKICMDZBYCXLK-NSHDSACASA-N 0 0 213.284 2.382 10 0 BEAERN Nc1cccc([C@H]2CNc3ccccc3C2)n1 ZINC000616672149 351235178 /nfs/dbraw/zinc/23/51/78/351235178.db2.gz YHQAZAIZARKECC-LLVKDONJSA-N 0 0 225.295 2.416 10 0 BEAERN CN1CC[C@@H](n2ccnc2)c2ccccc21 ZINC000616672093 351235283 /nfs/dbraw/zinc/23/52/83/351235283.db2.gz LIYYOYFZXJFKTP-CYBMUJFWSA-N 0 0 213.284 2.312 10 0 BEAERN CN1C[C@H](n2cccn2)Cc2ccccc21 ZINC000616671832 351236486 /nfs/dbraw/zinc/23/64/86/351236486.db2.gz VEXHAIQARDZACD-GFCCVEGCSA-N 0 0 213.284 2.117 10 0 BEAERN CCN1CC[C@@H](c2conn2)c2ccccc21 ZINC000616671947 351237330 /nfs/dbraw/zinc/23/73/30/351237330.db2.gz JDSGBRPOIWCQRG-SNVBAGLBSA-N 0 0 229.283 2.432 10 0 BEAERN CN1CC[C@@H](c2cccnn2)c2ccccc21 ZINC000616673737 351237859 /nfs/dbraw/zinc/23/78/59/351237859.db2.gz ZGFAMCNNZQFBFP-LLVKDONJSA-N 0 0 225.295 2.448 10 0 BEAERN NC(=O)N1CC[C@@H](c2cocn2)c2ccccc21 ZINC000616673744 351237863 /nfs/dbraw/zinc/23/78/63/351237863.db2.gz DIWDJUJSGQFDIV-SECBINFHSA-N 0 0 243.266 2.095 10 0 BEAERN CN1C[C@@H](c2cccnn2)Cc2ccccc21 ZINC000616673899 351237968 /nfs/dbraw/zinc/23/79/68/351237968.db2.gz UGEWEJINEUAYSM-LBPRGKRZSA-N 0 0 225.295 2.253 10 0 BEAERN CN1CC[C@H](n2cccn2)c2ccccc21 ZINC000616674216 351238773 /nfs/dbraw/zinc/23/87/73/351238773.db2.gz BVZIIXMOZQHBJZ-ZDUSSCGKSA-N 0 0 213.284 2.312 10 0 BEAERN CC(C)[C@@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616672857 351239423 /nfs/dbraw/zinc/23/94/23/351239423.db2.gz LYFOOSKSBWAIDI-LLVKDONJSA-N 0 0 218.300 2.400 10 0 BEAERN CN1CC[C@@H](c2ccncn2)c2ccccc21 ZINC000616673237 351240303 /nfs/dbraw/zinc/24/03/03/351240303.db2.gz SHMQQCQPTJYBMO-LLVKDONJSA-N 0 0 225.295 2.448 10 0 BEAERN CN1CC[C@H](n2ccnc2)c2ccccc21 ZINC000616675077 351242395 /nfs/dbraw/zinc/24/23/95/351242395.db2.gz LIYYOYFZXJFKTP-ZDUSSCGKSA-N 0 0 213.284 2.312 10 0 BEAERN CCN1CC[C@H](Nc2cc[nH]n2)c2ccccc21 ZINC000616675693 351243115 /nfs/dbraw/zinc/24/31/15/351243115.db2.gz OPQCUEROYHQYPB-LBPRGKRZSA-N 0 0 242.326 2.215 10 0 BEAERN CCOC(=O)N1CCc2ccccc2[C@@H]1C(C)=O ZINC000616677816 351245275 /nfs/dbraw/zinc/24/52/75/351245275.db2.gz XEKOLWBFLOWNDN-ZDUSSCGKSA-N 0 0 247.294 2.331 10 0 BEAERN CCOC(=O)N1CCc2ccccc2[C@H]1C(C)=O ZINC000616680509 351247442 /nfs/dbraw/zinc/24/74/42/351247442.db2.gz XEKOLWBFLOWNDN-CYBMUJFWSA-N 0 0 247.294 2.331 10 0 BEAERN FC(F)(F)O[C@H]1NCCc2ccccc21 ZINC000616680795 351247643 /nfs/dbraw/zinc/24/76/43/351247643.db2.gz QOSUVYHTYRBJPE-SECBINFHSA-N 0 0 217.190 2.367 10 0 BEAERN CCN1C[C@@H](c2cncnc2)Nc2ccccc21 ZINC000616681175 351248109 /nfs/dbraw/zinc/24/81/09/351248109.db2.gz NSQMCAPGOGGURJ-ZDUSSCGKSA-N 0 0 240.310 2.470 10 0 BEAERN CN1C[C@H](c2ccnnc2)Nc2ccccc21 ZINC000616681941 351252155 /nfs/dbraw/zinc/25/21/55/351252155.db2.gz AUJYTQFOCKBKFK-GFCCVEGCSA-N 0 0 226.283 2.080 10 0 BEAERN CN1C[C@H](c2ncco2)Nc2ccccc21 ZINC000616682403 351252870 /nfs/dbraw/zinc/25/28/70/351252870.db2.gz KPFVBDABAKUFCZ-SNVBAGLBSA-N 0 0 215.256 2.278 10 0 BEAERN CN1C[C@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616683624 351253618 /nfs/dbraw/zinc/25/36/18/351253618.db2.gz SLYBQWZCSAKPMS-SNVBAGLBSA-N 0 0 214.272 2.013 10 0 BEAERN CC(C)N1c2ccccc2NC[C@H]1c1cn[nH]n1 ZINC000616683362 351254167 /nfs/dbraw/zinc/25/41/67/351254167.db2.gz NXBNNTKYPCDCRV-ZDUSSCGKSA-N 0 0 243.314 2.186 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1C(F)F ZINC000616683255 351254238 /nfs/dbraw/zinc/25/42/38/351254238.db2.gz DSSPQJYTAHAEKF-SNVBAGLBSA-N 0 0 226.226 2.099 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1conn1 ZINC000616683265 351254394 /nfs/dbraw/zinc/25/43/94/351254394.db2.gz MMZNUVLZVOOOHK-LBPRGKRZSA-N 0 0 230.271 2.063 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@@H]1F ZINC000616684683 351255612 /nfs/dbraw/zinc/25/56/12/351255612.db2.gz NQMJFPPRKZNDQB-SNVBAGLBSA-N 0 0 224.235 2.371 10 0 BEAERN O=C([O-])N1C[C@@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616686894 351257772 /nfs/dbraw/zinc/25/77/72/351257772.db2.gz UQTHJXAWZWOIHO-VIFPVBQESA-N 0 0 244.254 2.061 10 0 BEAERN COC(=O)N1c2ccccc2NC[C@H]1C ZINC000616685909 351258303 /nfs/dbraw/zinc/25/83/03/351258303.db2.gz ZHPNNDLLOXLTRQ-MRVPVSSYSA-N 0 0 206.245 2.073 10 0 BEAERN CC[C@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616689243 351259239 /nfs/dbraw/zinc/25/92/39/351259239.db2.gz CMDWHBGQWTVIJR-VIFPVBQESA-N 0 0 204.273 2.154 10 0 BEAERN CC(C)(C)N1CCOCC[C@H]1c1ncccn1 ZINC000616656964 351197553 /nfs/dbraw/zinc/19/75/53/351197553.db2.gz QXGNXCJMUDLETR-NSHDSACASA-N 0 0 235.331 2.039 10 0 BEAERN CNc1ccccc1[C@@H]1CCOCCN1C(C)=O ZINC000616657278 351197850 /nfs/dbraw/zinc/19/78/50/351197850.db2.gz UZWASHQHRNRYRN-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CC(C)(C)N1CCOCC[C@@H]1c1ncco1 ZINC000616656436 351202641 /nfs/dbraw/zinc/20/26/41/351202641.db2.gz VLBHOBVCCBGSTG-SNVBAGLBSA-N 0 0 224.304 2.237 10 0 BEAERN CC(F)(F)[C@H](NN)c1cccc(Cl)c1 ZINC000306859821 351204549 /nfs/dbraw/zinc/20/45/49/351204549.db2.gz FJDKFORQTVKYPS-MRVPVSSYSA-N 0 0 220.650 2.500 10 0 BEAERN CCN1c2ccccc2CC[C@@H]1C(=O)OC ZINC000616667777 351224899 /nfs/dbraw/zinc/22/48/99/351224899.db2.gz DBWBWCLIYSXNCG-GFCCVEGCSA-N 0 0 219.284 2.001 10 0 BEAERN O=C1NCCOc2cc(Cl)cc(Cl)c21 ZINC000168079299 351287233 /nfs/dbraw/zinc/28/72/33/351287233.db2.gz WUIYCYQHBIMCLX-UHFFFAOYSA-N 0 0 232.066 2.116 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nccc(SC)n1 ZINC000306881953 351288088 /nfs/dbraw/zinc/28/80/88/351288088.db2.gz MTOWCMGSQSIQBV-HTQZYQBOSA-N 0 0 209.318 2.409 10 0 BEAERN OCc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000068945781 351300996 /nfs/dbraw/zinc/30/09/96/351300996.db2.gz LCAFOHMSSDQWCR-UHFFFAOYSA-N 0 0 208.648 2.222 10 0 BEAERN O=Cc1nc2c([nH]1)CCc1sccc1-2 ZINC000068945687 351301002 /nfs/dbraw/zinc/30/10/02/351301002.db2.gz CRUPMRKPCLBAAU-UHFFFAOYSA-N 0 0 204.254 2.049 10 0 BEAERN COc1ccccc1NC(=O)C(C)(C)OC ZINC000170966141 187476361 /nfs/dbraw/zinc/47/63/61/187476361.db2.gz OXEYBLXLRAYZOE-UHFFFAOYSA-N 0 0 223.272 2.059 10 0 BEAERN Nc1ccc(OC(F)(F)F)c(N)c1Cl ZINC000306896974 351309522 /nfs/dbraw/zinc/30/95/22/351309522.db2.gz RIRSMYPYSDOCTI-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN CC1(C)CN(c2nc(Cl)c(C=O)s2)C1 ZINC000306901156 351315541 /nfs/dbraw/zinc/31/55/41/351315541.db2.gz NGDCKDQUUYLLCI-UHFFFAOYSA-N 0 0 230.720 2.455 10 0 BEAERN NC(=O)c1cc(F)c(C(F)F)c(F)c1 ZINC000306911046 351325353 /nfs/dbraw/zinc/32/53/53/351325353.db2.gz JWOCVHJHDZWCQL-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN CC(C)[C@@H](NN)c1ccncc1Br ZINC000306876650 351270505 /nfs/dbraw/zinc/27/05/05/351270505.db2.gz HNKZPMHNGPPZRP-SECBINFHSA-N 0 0 244.136 2.005 10 0 BEAERN O[C@H](Cn1cccn1)c1sccc1Cl ZINC000306878886 351271863 /nfs/dbraw/zinc/27/18/63/351271863.db2.gz JBSRISMLRFBDEC-MRVPVSSYSA-N 0 0 228.704 2.332 10 0 BEAERN CC1(C)CSC[C@](O)(C2=CCCO2)C1 ZINC000168047385 351272572 /nfs/dbraw/zinc/27/25/72/351272572.db2.gz NDFVWAUWITVCPP-NSHDSACASA-N 0 0 214.330 2.185 10 0 BEAERN CC(C)(C)OCc1cc(N)cc2c1OCOC2 ZINC000034964190 351367624 /nfs/dbraw/zinc/36/76/24/351367624.db2.gz KSMUSEFNKMOROI-UHFFFAOYSA-N 0 0 237.299 2.450 10 0 BEAERN CN1c2ccccc2[C@H](n2cccc2)C1=O ZINC000137254163 351375617 /nfs/dbraw/zinc/37/56/17/351375617.db2.gz TZXLCYBLLJKJGZ-LBPRGKRZSA-N 0 0 212.252 2.054 10 0 BEAERN CC1(C)Cc2[nH]c(C=O)nc2C(C)(C)C1 ZINC000168313130 351375853 /nfs/dbraw/zinc/37/58/53/351375853.db2.gz NFWLPWJZXHKXSV-UHFFFAOYSA-N 0 0 206.289 2.472 10 0 BEAERN Cc1ccc(C2=CCS(=O)(=O)C2)c(C)c1 ZINC000040173770 351392381 /nfs/dbraw/zinc/39/23/81/351392381.db2.gz PPOXCMHNUHKPOU-UHFFFAOYSA-N 0 0 222.309 2.115 10 0 BEAERN Clc1nc(-c2ccncc2Cl)no1 ZINC000306979525 351397353 /nfs/dbraw/zinc/39/73/53/351397353.db2.gz PACMKNPBGXMWEP-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN Cn1ccnc1-c1ccc(Cl)c(N)c1 ZINC000069027515 351339971 /nfs/dbraw/zinc/33/99/71/351339971.db2.gz PCNBSLIPEUSSQN-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CCC[C@@H](C)NC(=O)[C@@H](C)NCc1ccco1 ZINC000034938485 351353030 /nfs/dbraw/zinc/35/30/30/351353030.db2.gz FNQCBVJILCBIEW-GHMZBOCLSA-N 0 0 238.331 2.063 10 0 BEAERN Cc1oncc1-c1nc(-c2cccc(O)c2)no1 ZINC000034956194 351361773 /nfs/dbraw/zinc/36/17/73/351361773.db2.gz FZBDYBDHAHQDMB-UHFFFAOYSA-N 0 0 243.222 2.406 10 0 BEAERN CCc1nc([C@H]2NCCCS2)cs1 ZINC000307021803 351430832 /nfs/dbraw/zinc/43/08/32/351430832.db2.gz CITJJHLCPBDBQK-VIFPVBQESA-N 0 0 214.359 2.431 10 0 BEAERN CCc1nc([C@@H]2NCCCS2)cs1 ZINC000307021795 351430884 /nfs/dbraw/zinc/43/08/84/351430884.db2.gz CITJJHLCPBDBQK-SECBINFHSA-N 0 0 214.359 2.431 10 0 BEAERN C(NC1=[NH+]C[C@H](C2CCC2)S1)C1CC1 ZINC000307032071 351432500 /nfs/dbraw/zinc/43/25/00/351432500.db2.gz PMPWPCIKQOZFET-SNVBAGLBSA-N 0 0 210.346 2.258 10 0 BEAERN Cn1ncc(C(=O)C(C)(C)C(C)(C)C)n1 ZINC000307071000 351465889 /nfs/dbraw/zinc/46/58/89/351465889.db2.gz WEIPIYZVWYJPOI-UHFFFAOYSA-N 0 0 209.293 2.070 10 0 BEAERN Nc1nnc([C@H]2CCCC2(F)F)s1 ZINC000307040724 351443922 /nfs/dbraw/zinc/44/39/22/351443922.db2.gz MPUHPRIPLZDOAI-SCSAIBSYSA-N 0 0 205.233 2.023 10 0 BEAERN Cc1ccc([C@@H](C)NCC(=O)OCC(C)C)o1 ZINC000182576537 187483332 /nfs/dbraw/zinc/48/33/32/187483332.db2.gz RUJVTWLADZFDPB-LLVKDONJSA-N 0 0 239.315 2.438 10 0 BEAERN Clc1nsnc1NCc1ccns1 ZINC000404433651 351446407 /nfs/dbraw/zinc/44/64/07/351446407.db2.gz AVEYKHQHGIGIMZ-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN O=C1CCC[C@H]1N1CCC=C(Br)C1 ZINC000404431904 351449066 /nfs/dbraw/zinc/44/90/66/351449066.db2.gz QXCFSYLQQSWOAL-SECBINFHSA-N 0 0 244.132 2.093 10 0 BEAERN Cc1cc([C@@H]2NC[C@@H](C)CS2)sn1 ZINC000404439532 351449780 /nfs/dbraw/zinc/44/97/80/351449780.db2.gz IUBFSTJIPUHWGZ-HZGVNTEJSA-N 0 0 214.359 2.423 10 0 BEAERN CC[C@@H](Nc1cn(C)nc1OC)C(C)C ZINC000336725973 351450882 /nfs/dbraw/zinc/45/08/82/351450882.db2.gz GPDJABPWNJOZAG-SECBINFHSA-N 0 0 211.309 2.275 10 0 BEAERN Nc1cc(F)cc(OC(F)(F)F)c1O ZINC000307054795 351455342 /nfs/dbraw/zinc/45/53/42/351455342.db2.gz RUVFKRFIQSDFEN-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CC1(C)CS[C@@H](c2ccns2)N1 ZINC000404445914 351459112 /nfs/dbraw/zinc/45/91/12/351459112.db2.gz NTEFQIBZMJXEKQ-ZETCQYMHSA-N 0 0 200.332 2.257 10 0 BEAERN COC(=O)c1cc(Br)c(Cl)[nH]1 ZINC000307069418 351463369 /nfs/dbraw/zinc/46/33/69/351463369.db2.gz CVMCQCWHGHRKKI-UHFFFAOYSA-N 0 0 238.468 2.217 10 0 BEAERN C[C@@H]1CN([C@@H]2CCC(F)(F)C2)CCC1=O ZINC000306994785 351410197 /nfs/dbraw/zinc/41/01/97/351410197.db2.gz OJKSBVZYFHVFOR-RKDXNWHRSA-N 0 0 217.259 2.085 10 0 BEAERN CC1(C)CC[C@H]1[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000306998588 351412493 /nfs/dbraw/zinc/41/24/93/351412493.db2.gz YJTZGUKOWAFCMG-VHSXEESVSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1c(N)nsc1N[C@@H](C)C(F)F ZINC000307002300 351412642 /nfs/dbraw/zinc/41/26/42/351412642.db2.gz FIUWIOIBAODJNG-BYPYZUCNSA-N 0 0 207.249 2.099 10 0 BEAERN CC(C)(NC(F)(F)F)c1nccs1 ZINC000307018121 351424172 /nfs/dbraw/zinc/42/41/72/351424172.db2.gz QOQAPBVPJXZHLF-UHFFFAOYSA-N 0 0 210.224 2.488 10 0 BEAERN CC(C)NC(=O)C1(Br)CCCC1 ZINC000307137273 351494325 /nfs/dbraw/zinc/49/43/25/351494325.db2.gz WWRYGYDKSZGLPR-UHFFFAOYSA-N 0 0 234.137 2.219 10 0 BEAERN O=C1N[C@@H](c2cscc2Br)CO1 ZINC000307149351 351504160 /nfs/dbraw/zinc/50/41/60/351504160.db2.gz RLIHDRYMUYBKHL-ZCFIWIBFSA-N 0 0 248.101 2.292 10 0 BEAERN Brc1nc(-c2ccncn2)cs1 ZINC000307100741 351476302 /nfs/dbraw/zinc/47/63/02/351476302.db2.gz HDUMRYVKIXAKQR-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN CC(C)NC(=S)N1CC[C@H]2CCC[C@@H]21 ZINC000307111027 351484272 /nfs/dbraw/zinc/48/42/72/351484272.db2.gz HWTGJVGWPVWVRC-ZJUUUORDSA-N 0 0 212.362 2.144 10 0 BEAERN CC1(Nc2nc(Cl)ncc2F)CC1 ZINC000228910454 351484377 /nfs/dbraw/zinc/48/43/77/351484377.db2.gz IVDSRAZFMMMWET-UHFFFAOYSA-N 0 0 201.632 2.234 10 0 BEAERN Cc1ncsc1[C@H](C)N1CC(F)C1 ZINC000307110890 351484564 /nfs/dbraw/zinc/48/45/64/351484564.db2.gz HUZSNLFVRLMVNV-ZETCQYMHSA-N 0 0 200.282 2.166 10 0 BEAERN Cc1nc(C(=O)[C@@H]2CC[C@@H](C)O2)cs1 ZINC000307119613 351488922 /nfs/dbraw/zinc/48/89/22/351488922.db2.gz SDAZGVLOWMRHFW-MUWHJKNJSA-N 0 0 211.286 2.202 10 0 BEAERN C[C@H](CO)Nc1c(F)cccc1Br ZINC000307122921 351490646 /nfs/dbraw/zinc/49/06/46/351490646.db2.gz WRDLVYZWAFXQMO-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN Clc1nsnc1NCc1ccncc1 ZINC000037372278 180604192 /nfs/dbraw/zinc/60/41/92/180604192.db2.gz RSRWICQCJWXKTC-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN C[C@@H]1CC[C@@H]1NC(=O)C(C)(C)Br ZINC000307161945 351526074 /nfs/dbraw/zinc/52/60/74/351526074.db2.gz XVFADFBDXHKEMJ-RQJHMYQMSA-N 0 0 234.137 2.075 10 0 BEAERN COc1cccc2c1N[C@H](C1CCC1)[C@@H](O)C2 ZINC000725268488 538100538 /nfs/dbraw/zinc/10/05/38/538100538.db2.gz SKTFIFYJNZDDTE-WCQYABFASA-N 0 0 233.311 2.193 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]12CCCC21CCC1 ZINC000307167533 351540377 /nfs/dbraw/zinc/54/03/77/351540377.db2.gz RXBSDQKWAAYIHX-ZYHUDNBSSA-N 0 0 210.273 2.041 10 0 BEAERN Clc1ncccc1NCc1cncnc1 ZINC000054767458 180602959 /nfs/dbraw/zinc/60/29/59/180602959.db2.gz KERBJWZFFDEROA-UHFFFAOYSA-N 0 0 220.663 2.137 10 0 BEAERN Clc1ncnc2ccn(C[C@@H]3CCCO3)c21 ZINC000098179302 180603091 /nfs/dbraw/zinc/60/30/91/180603091.db2.gz UHVCVDALCUSVLK-QMMMGPOBSA-N 0 0 237.690 2.264 10 0 BEAERN Clc1ncn(Cc2ccccc2)c2ncnc1-2 ZINC000034118103 180603092 /nfs/dbraw/zinc/60/30/92/180603092.db2.gz KUDNPOHPYMPPFP-UHFFFAOYSA-N 0 0 244.685 2.480 10 0 BEAERN Cc1c[nH]c(=S)nc1-c1cnsc1 ZINC000404585138 351570717 /nfs/dbraw/zinc/57/07/17/351570717.db2.gz CCDCDVKEHJPCIE-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Nc1cc(F)cc(NCCC(F)F)c1 ZINC000307182483 351576599 /nfs/dbraw/zinc/57/65/99/351576599.db2.gz VELJXCONEPCABZ-UHFFFAOYSA-N 0 0 204.195 2.475 10 0 BEAERN CC(C)(CF)Nc1ncncc1Br ZINC000307324616 187492488 /nfs/dbraw/zinc/49/24/88/187492488.db2.gz DYGRXZZOSUNHDL-UHFFFAOYSA-N 0 0 248.099 2.399 10 0 BEAERN COc1ncc([C@@]2(O)CCC[C@@H]2C)s1 ZINC000307204189 351606762 /nfs/dbraw/zinc/60/67/62/351606762.db2.gz FOIKPDAQNYIJDZ-OIBJUYFYSA-N 0 0 213.302 2.159 10 0 BEAERN Cn1ccc2cc(Br)ncc21 ZINC000082373781 187488438 /nfs/dbraw/zinc/48/84/38/187488438.db2.gz RABYASJBXWKVAR-UHFFFAOYSA-N 0 0 211.062 2.336 10 0 BEAERN OCC1CC(OCc2ccc(F)cc2)C1 ZINC000606302110 351553510 /nfs/dbraw/zinc/55/35/10/351553510.db2.gz BYPMVTVVVAMVQG-UHFFFAOYSA-N 0 0 210.248 2.113 10 0 BEAERN F[C@H]1C[C@@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000606302878 351556591 /nfs/dbraw/zinc/55/65/91/351556591.db2.gz ALGRWOKPJOGDBJ-RQJHMYQMSA-N 0 0 228.185 2.430 10 0 BEAERN COC(=O)[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2F ZINC000606303404 351559709 /nfs/dbraw/zinc/55/97/09/351559709.db2.gz DUZWTZXPMOBZAS-RNSXUZJQSA-N 0 0 200.253 2.324 10 0 BEAERN C[C@H](CO)Nc1ccc(F)cc1Cl ZINC000307225234 351656977 /nfs/dbraw/zinc/65/69/77/351656977.db2.gz UCMYOBLGIDHDKP-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN O=C(c1cnsc1)[C@@H]1CSCCS1 ZINC000404639939 351683202 /nfs/dbraw/zinc/68/32/02/351683202.db2.gz KXNULNKFKMGVOJ-ZETCQYMHSA-N 0 0 231.367 2.174 10 0 BEAERN CC[C@@H]1C[C@H]1c1nnc(Br)o1 ZINC000307230225 351685874 /nfs/dbraw/zinc/68/58/74/351685874.db2.gz BRKFVFNENGAQPS-RFZPGFLSSA-N 0 0 217.066 2.346 10 0 BEAERN Cn1cc(C(=O)C2CC2)c2cc(N)ccc21 ZINC000261508132 180630895 /nfs/dbraw/zinc/63/08/95/180630895.db2.gz PYEPLBSZZOCQTB-UHFFFAOYSA-N 0 0 214.268 2.353 10 0 BEAERN CS[C@H]1CCN(c2nsnc2Cl)C1 ZINC000307239502 351730769 /nfs/dbraw/zinc/73/07/69/351730769.db2.gz HSCZWTQNVWQEDD-YFKPBYRVSA-N 0 0 235.765 2.133 10 0 BEAERN COc1cc(Br)cc(O)c1C ZINC000215880762 351738784 /nfs/dbraw/zinc/73/87/84/351738784.db2.gz JNZNMTCFAOJQRU-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN Cc1nc(C)c(C)c(N2CCS[C@@H](C)C2)n1 ZINC000177824985 366065138 /nfs/dbraw/zinc/06/51/38/366065138.db2.gz QOSASGNEUHOOCR-QMMMGPOBSA-N 0 0 237.372 2.344 10 0 BEAERN CS[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000307244748 351749040 /nfs/dbraw/zinc/74/90/40/351749040.db2.gz LQYAEGBRVWPGRE-JTQLQIEISA-N 0 0 213.346 2.307 10 0 BEAERN O=C(N[C@H]1CC=CCC1)C(F)(F)Cl ZINC000307261246 351804133 /nfs/dbraw/zinc/80/41/33/351804133.db2.gz PBBKMKYTDQWDRK-LURJTMIESA-N 0 0 209.623 2.043 10 0 BEAERN CC(C)n1nccc1[C@H](N)C(C)(F)F ZINC000307253306 351780302 /nfs/dbraw/zinc/78/03/02/351780302.db2.gz VAMJXFSLEYBJBX-QMMMGPOBSA-N 0 0 203.236 2.119 10 0 BEAERN CS[C@@H]1CCCN(C2=NC(=O)CS2)C1 ZINC000307253201 351784368 /nfs/dbraw/zinc/78/43/68/351784368.db2.gz UUFWKNTVROFPBB-SSDOTTSWSA-N 0 0 230.358 2.181 10 0 BEAERN Cc1csc(N[C@@H](C)CC(C)(C)O)n1 ZINC000307254048 351787936 /nfs/dbraw/zinc/78/79/36/351787936.db2.gz WROURAGWWQVPIH-ZETCQYMHSA-N 0 0 214.334 2.413 10 0 BEAERN CNc1cccc(C(=O)NCC[C@H]2CCCO2)c1 ZINC000637901389 351771111 /nfs/dbraw/zinc/77/11/11/351771111.db2.gz CLPGLPUTSPLESO-CYBMUJFWSA-N 0 0 248.326 2.027 10 0 BEAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cn[nH]c1 ZINC000112670862 187500440 /nfs/dbraw/zinc/50/04/40/187500440.db2.gz WAKIRYCUPWDYAE-NEPJUHHUSA-N 0 0 235.331 2.354 10 0 BEAERN Cc1ncc(Br)c(N[C@@H]2C[C@@H]2C)n1 ZINC000307274926 351829501 /nfs/dbraw/zinc/82/95/01/351829501.db2.gz OWWMYUBVWTZRTD-YLWLKBPMSA-N 0 0 242.120 2.368 10 0 BEAERN Cc1ncc(Br)c(N[C@@H]2C[C@H]2C)n1 ZINC000307274923 351829694 /nfs/dbraw/zinc/82/96/94/351829694.db2.gz OWWMYUBVWTZRTD-SVGQVSJJSA-N 0 0 242.120 2.368 10 0 BEAERN CC1N=NC(=S)N1[C@H]1CC12CCCC2 ZINC000307268319 351814561 /nfs/dbraw/zinc/81/45/61/351814561.db2.gz FSMDSQGFXFSSKB-QMMMGPOBSA-N 0 0 209.318 2.380 10 0 BEAERN CC[S@@](=O)Nc1cccc(N)c1Cl ZINC000307289318 351855771 /nfs/dbraw/zinc/85/57/71/351855771.db2.gz YJQVJBXVAIGMFN-CYBMUJFWSA-N 0 0 218.709 2.018 10 0 BEAERN C[C@H]1COc2c(Br)cc(N)cc2N1 ZINC000062533832 187535058 /nfs/dbraw/zinc/53/50/58/187535058.db2.gz BLRVMIINAAVOES-YFKPBYRVSA-N 0 0 243.104 2.224 10 0 BEAERN COC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078388 351894472 /nfs/dbraw/zinc/89/44/72/351894472.db2.gz TVUOGKGUCAVFIL-SSDOTTSWSA-N 0 0 245.681 2.303 10 0 BEAERN Cn1cc(SC[C@](C)(O)c2ccccc2)cn1 ZINC000052098450 180663514 /nfs/dbraw/zinc/66/35/14/180663514.db2.gz YVWBHMKGWOCSOR-ZDUSSCGKSA-N 0 0 248.351 2.420 10 0 BEAERN Cn1cc(Sc2cccc(N)c2)cn1 ZINC000042405900 180664215 /nfs/dbraw/zinc/66/42/15/180664215.db2.gz SUOBRKIMHGLVJQ-UHFFFAOYSA-N 0 0 205.286 2.154 10 0 BEAERN Cc1cc(C[C@@H](O)[C@H]2CCCO2)cs1 ZINC000307323958 352019280 /nfs/dbraw/zinc/01/92/80/352019280.db2.gz DGJYRVNSJVACOY-GHMZBOCLSA-N 0 0 212.314 2.139 10 0 BEAERN Clc1nsc(N2CCCCC2)n1 ZINC000307322999 352022082 /nfs/dbraw/zinc/02/20/82/352022082.db2.gz AHXNCEULFKVWSB-UHFFFAOYSA-N 0 0 203.698 2.182 10 0 BEAERN COC1CC(Nc2csc(Cl)n2)C1 ZINC000307327336 352023397 /nfs/dbraw/zinc/02/33/97/352023397.db2.gz OKEBUQHMERPCCE-UHFFFAOYSA-N 0 0 218.709 2.386 10 0 BEAERN COC1(c2nc(C(C)=O)c[nH]2)CCCC1 ZINC000307328687 352028978 /nfs/dbraw/zinc/02/89/78/352028978.db2.gz WEJPEKBXWQRVKY-UHFFFAOYSA-N 0 0 208.261 2.028 10 0 BEAERN Brc1noc(CC2CCC2)n1 ZINC000232170735 352030420 /nfs/dbraw/zinc/03/04/20/352030420.db2.gz ZPFCXDMQPSVLPZ-UHFFFAOYSA-N 0 0 217.066 2.175 10 0 BEAERN CCNC(=S)N1CCC[C@@H](SC)CC1 ZINC000300915230 363119451 /nfs/dbraw/zinc/11/94/51/363119451.db2.gz XXJUFMJEGCFZKR-SECBINFHSA-N 0 0 232.418 2.098 10 0 BEAERN Cn1cc(C(=O)[C@H]2CCC(F)(F)C2)cn1 ZINC000300924740 363146907 /nfs/dbraw/zinc/14/69/07/363146907.db2.gz QDWMQPSJZVHQNG-ZETCQYMHSA-N 0 0 214.215 2.038 10 0 BEAERN CC(F)(F)C(=O)C1=C(O)C(C)(C)CC1 ZINC000300936511 363168470 /nfs/dbraw/zinc/16/84/70/363168470.db2.gz WZTKKPWVBPXEOM-ZCFIWIBFSA-N 0 0 204.216 2.216 10 0 BEAERN O=[N+]([O-])c1ccc(OC(F)F)c(F)c1F ZINC000396126073 352391032 /nfs/dbraw/zinc/39/10/32/352391032.db2.gz LDNLGRPIEJNBJR-UHFFFAOYSA-N 0 0 225.097 2.474 10 0 BEAERN O[C@H](c1ccsn1)[C@@H]1CCCS1 ZINC000307388387 352548211 /nfs/dbraw/zinc/54/82/11/352548211.db2.gz HEXIXJKDMJPWBA-JGVFFNPUSA-N 0 0 201.316 2.072 10 0 BEAERN Cn1ccnc1[C@H](N)c1cc(Cl)ccc1F ZINC000041042390 180757485 /nfs/dbraw/zinc/75/74/85/180757485.db2.gz BYGKZPXTYFRMDA-SNVBAGLBSA-N 0 0 239.681 2.261 10 0 BEAERN CC[S@](=O)Nc1cc(C)cnc1Cl ZINC000307384185 352511033 /nfs/dbraw/zinc/51/10/33/352511033.db2.gz IFPYILYKGSTLKW-ZDUSSCGKSA-N 0 0 218.709 2.139 10 0 BEAERN Cn1ccnc1Oc1cc(Cl)ccc1N ZINC000051609685 180752049 /nfs/dbraw/zinc/75/20/49/180752049.db2.gz AAEHEPVRHCVLFB-UHFFFAOYSA-N 0 0 223.663 2.448 10 0 BEAERN Cn1ccnc1Sc1c(F)cc(N)cc1F ZINC000038040397 180754353 /nfs/dbraw/zinc/75/43/53/180754353.db2.gz KDQUTRSJRXIGHI-UHFFFAOYSA-N 0 0 241.266 2.432 10 0 BEAERN CC(C)CSCCCNC(=O)N[C@@H]1C[C@H]1C ZINC000124375660 187742036 /nfs/dbraw/zinc/74/20/36/187742036.db2.gz WKEBEADUTHGCQU-GHMZBOCLSA-N 0 0 244.404 2.473 10 0 BEAERN C[C@H]1C[C@H]1CN(C)c1cnnc(Cl)c1 ZINC000229121196 352590489 /nfs/dbraw/zinc/59/04/89/352590489.db2.gz SYXGKUVPTQZIEW-YUMQZZPRSA-N 0 0 211.696 2.222 10 0 BEAERN C=CC(=O)Nc1c(F)c(F)cc(F)c1F ZINC000232264210 352590668 /nfs/dbraw/zinc/59/06/68/352590668.db2.gz JFFBCDYLOZNEDN-UHFFFAOYSA-N 0 0 219.137 2.368 10 0 BEAERN CCc1nnc(N[C@H]2CCCSC2)s1 ZINC000232283550 352596059 /nfs/dbraw/zinc/59/60/59/352596059.db2.gz OBSNJMSVVVTIST-ZETCQYMHSA-N 0 0 229.374 2.408 10 0 BEAERN COC(=N)c1cc(Br)ccc1O ZINC000307437750 352596598 /nfs/dbraw/zinc/59/65/98/352596598.db2.gz QWLRVEQABGTWLU-UHFFFAOYSA-N 0 0 230.061 2.126 10 0 BEAERN CC(C)(Br)C(=O)N[C@H]1CCC1(C)C ZINC000307444200 352597357 /nfs/dbraw/zinc/59/73/57/352597357.db2.gz BPQUEYJASADEEQ-ZETCQYMHSA-N 0 0 248.164 2.465 10 0 BEAERN NC(=O)c1cc(F)cc(F)c1C(F)F ZINC000307449758 352602791 /nfs/dbraw/zinc/60/27/91/352602791.db2.gz OCRNVDMAPKEGQZ-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN Clc1cnc(CNc2cnns2)s1 ZINC000232292696 352606707 /nfs/dbraw/zinc/60/67/07/352606707.db2.gz GQIHUOPYVKOJPI-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN CC(C)[C@@H]1CC(=O)N(Cc2ccccc2)C(=O)N1 ZINC000232305600 352611113 /nfs/dbraw/zinc/61/11/13/352611113.db2.gz ZBLZOWOIWOILKK-LBPRGKRZSA-N 0 0 246.310 2.153 10 0 BEAERN FC1(F)CCN(c2nsnc2Cl)C1 ZINC000307463534 352611915 /nfs/dbraw/zinc/61/19/15/352611915.db2.gz LBSCIRGJXBPHFN-UHFFFAOYSA-N 0 0 225.651 2.037 10 0 BEAERN CS[C@H]1CCCC[C@@H]1NC(=O)n1ccnc1 ZINC000300385840 352561996 /nfs/dbraw/zinc/56/19/96/352561996.db2.gz KRNOFRZZVCSDAJ-UWVGGRQHSA-N 0 0 239.344 2.115 10 0 BEAERN Cc1ccc(Cl)cc1NC[C@H](C)C(N)=O ZINC000037227062 187760966 /nfs/dbraw/zinc/76/09/66/187760966.db2.gz YPNCMQXHNSDUAB-QMMMGPOBSA-N 0 0 226.707 2.182 10 0 BEAERN Cc1cscc1Nc1ncc(N)cn1 ZINC000307478421 352617798 /nfs/dbraw/zinc/61/77/98/352617798.db2.gz NFCYPOWVVWPMSZ-UHFFFAOYSA-N 0 0 206.274 2.172 10 0 BEAERN CO[C@H]1CCC[C@H]1n1ccc(Br)n1 ZINC000307408004 352581926 /nfs/dbraw/zinc/58/19/26/352581926.db2.gz FENNEZQESFOMOZ-SFYZADRCSA-N 0 0 245.120 2.386 10 0 BEAERN C[C@H]1COCC[C@@]1(O)Cc1ccsc1 ZINC000300989185 352583198 /nfs/dbraw/zinc/58/31/98/352583198.db2.gz JCZIXGXYLQALHH-GXSJLCMTSA-N 0 0 212.314 2.078 10 0 BEAERN C[C@]1([C@H](O)C(F)(F)F)CCCS1 ZINC000307409308 352585483 /nfs/dbraw/zinc/58/54/83/352585483.db2.gz FWEBQXMUDUGNQZ-NTSWFWBYSA-N 0 0 200.225 2.195 10 0 BEAERN CSC1(CNc2ccnn2C)CCC1 ZINC000307532929 352639072 /nfs/dbraw/zinc/63/90/72/352639072.db2.gz NBEORVGBDOQGDT-UHFFFAOYSA-N 0 0 211.334 2.118 10 0 BEAERN CCc1nc([C@@H]2N[C@H](C)CS2)cs1 ZINC000307533484 352639090 /nfs/dbraw/zinc/63/90/90/352639090.db2.gz ORJXQTDFGNRWCE-HZGVNTEJSA-N 0 0 214.359 2.429 10 0 BEAERN Clc1cccc(NCC2OCCO2)c1 ZINC000307534370 352640132 /nfs/dbraw/zinc/64/01/32/352640132.db2.gz AUPILFUUCHPJPO-UHFFFAOYSA-N 0 0 213.664 2.125 10 0 BEAERN CC(C)Nc1cnn(Cc2ccccc2)c(=O)c1 ZINC000232377182 352644144 /nfs/dbraw/zinc/64/41/44/352644144.db2.gz ZTGLWXSZGSRIPR-UHFFFAOYSA-N 0 0 243.310 2.112 10 0 BEAERN O=Cc1ncc(Cl)cc1OC(F)F ZINC000307548837 352647155 /nfs/dbraw/zinc/64/71/55/352647155.db2.gz OWEZCBJCEIZRGD-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN Cc1c[nH]c(C(=O)[C@@H]2CCCCO2)c1C ZINC000307550721 352647340 /nfs/dbraw/zinc/64/73/40/352647340.db2.gz OTYUWBPJNZBVMA-JTQLQIEISA-N 0 0 207.273 2.383 10 0 BEAERN C[C@@H]1C[C@H]1c1n[nH]cc1I ZINC000307548839 352647439 /nfs/dbraw/zinc/64/74/39/352647439.db2.gz OWPCVFBHGOSMSS-RFZPGFLSSA-N 0 0 248.067 2.138 10 0 BEAERN Cc1csc(CC2=NC(=O)CS2)n1 ZINC000307561067 352653837 /nfs/dbraw/zinc/65/38/37/352653837.db2.gz AIYNCOLGBARFTL-UHFFFAOYSA-N 0 0 212.299 2.204 10 0 BEAERN CC(C)(C)OC(=O)CCN1CCCC1=S ZINC000039125002 187775744 /nfs/dbraw/zinc/77/57/44/187775744.db2.gz KFXCMPDJNWKZNW-UHFFFAOYSA-N 0 0 229.345 2.141 10 0 BEAERN O=C(Cn1c(=O)oc2ccccc21)c1ccco1 ZINC000047819183 187778661 /nfs/dbraw/zinc/77/86/61/187778661.db2.gz QCAIOUQHTRURDS-UHFFFAOYSA-N 0 0 243.218 2.070 10 0 BEAERN CCCNc1nc(=O)c2sccc2[nH]1 ZINC000307607048 352668557 /nfs/dbraw/zinc/66/85/57/352668557.db2.gz BWYMVEUEQZZPKE-UHFFFAOYSA-N 0 0 209.274 2.219 10 0 BEAERN Cc1cnc(Cl)nc1SC(C)(C)CO ZINC000307480759 352620830 /nfs/dbraw/zinc/62/08/30/352620830.db2.gz XSIGVQCZYONBEK-UHFFFAOYSA-N 0 0 232.736 2.301 10 0 BEAERN CCc1ccc([C@@H](O)CN2C[C@@H](C)CC2=O)cc1 ZINC000062817602 187784667 /nfs/dbraw/zinc/78/46/67/187784667.db2.gz LWGGVTGQEOFBRN-FZMZJTMJSA-N 0 0 247.338 2.151 10 0 BEAERN CCCn1ccnc(N[C@@H]2CCC[C@@H]2C)c1=O ZINC000071208112 187786380 /nfs/dbraw/zinc/78/63/80/187786380.db2.gz XGZRGEQLSCIQBG-WDEREUQCSA-N 0 0 235.331 2.254 10 0 BEAERN CCc1cccnc1C1=NC(=O)CS1 ZINC000307517919 352632968 /nfs/dbraw/zinc/63/29/68/352632968.db2.gz KBENYVMXQJEJKZ-UHFFFAOYSA-N 0 0 206.270 2.473 10 0 BEAERN COCC(=O)c1ccccc1OC(F)F ZINC000229182475 352633864 /nfs/dbraw/zinc/63/38/64/352633864.db2.gz PFVDQQCQXYHTLZ-UHFFFAOYSA-N 0 0 216.183 2.117 10 0 BEAERN Nc1cc(Br)cc(CN2CCC2)c1 ZINC000307526913 352634808 /nfs/dbraw/zinc/63/48/08/352634808.db2.gz JYPCTZDFBBPEDB-UHFFFAOYSA-N 0 0 241.132 2.237 10 0 BEAERN Clc1nc(Cl)c2c(n1)CCCN2 ZINC000095762344 187801196 /nfs/dbraw/zinc/80/11/96/187801196.db2.gz SPXITQCDMMYFOG-UHFFFAOYSA-N 0 0 204.060 2.142 10 0 BEAERN CC(=O)c1cc(O)cc(F)c1Br ZINC000307622950 352693585 /nfs/dbraw/zinc/69/35/85/352693585.db2.gz DBCCGMBLGJEDQX-UHFFFAOYSA-N 0 0 233.036 2.496 10 0 BEAERN NC(=CC1=NCCS1)c1ccccc1 ZINC000146132588 187809903 /nfs/dbraw/zinc/80/99/03/187809903.db2.gz YOMRPYAFBSKMEA-CSKARUKUSA-N 0 0 204.298 2.132 10 0 BEAERN CN(c1cnc(Br)cn1)C(C)(C)C ZINC000307616082 352674490 /nfs/dbraw/zinc/67/44/90/352674490.db2.gz PKHFQPLZQCYSJP-UHFFFAOYSA-N 0 0 244.136 2.474 10 0 BEAERN CC1(C)CCC(CNC(N)=S)CC1 ZINC000307619144 352678612 /nfs/dbraw/zinc/67/86/12/352678612.db2.gz WJPCDPYCEMNKCG-UHFFFAOYSA-N 0 0 200.351 2.036 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1c[nH]nc1C1CC1 ZINC000184218466 187822241 /nfs/dbraw/zinc/82/22/41/187822241.db2.gz LAPPEVPKWAHEIN-QMMMGPOBSA-N 0 0 221.304 2.061 10 0 BEAERN CC[C@@H]1CNc2cncc(Cl)c2N1C ZINC000307637203 352726051 /nfs/dbraw/zinc/72/60/51/352726051.db2.gz YEJKIBJQRWYUGV-SSDOTTSWSA-N 0 0 211.696 2.375 10 0 BEAERN COC1CC(O)(Cc2sccc2Cl)C1 ZINC000307648506 352737694 /nfs/dbraw/zinc/73/76/94/352737694.db2.gz OSKBNCVKWWAFRD-UHFFFAOYSA-N 0 0 232.732 2.484 10 0 BEAERN CC(=O)c1cnn(Cc2cnc(Cl)s2)c1 ZINC000307659920 352745014 /nfs/dbraw/zinc/74/50/14/352745014.db2.gz BXTSKGJYHLKHCA-UHFFFAOYSA-N 0 0 241.703 2.244 10 0 BEAERN Nc1cc(F)c(Cl)cc1N1CCCC1=O ZINC000725273465 538105192 /nfs/dbraw/zinc/10/51/92/538105192.db2.gz FGNNENDSRZIFPI-UHFFFAOYSA-N 0 0 228.654 2.188 10 0 BEAERN Cc1cc([C@]2(O)CCOC2(C)C)cs1 ZINC000307685348 352835641 /nfs/dbraw/zinc/83/56/41/352835641.db2.gz YLULNHCMNPVGDW-LLVKDONJSA-N 0 0 212.314 2.443 10 0 BEAERN Cc1nc(C)c(F)c(N2CCS[C@@H](C)C2)n1 ZINC000334250028 352843514 /nfs/dbraw/zinc/84/35/14/352843514.db2.gz ZSKAGSMMUBBAEU-ZETCQYMHSA-N 0 0 241.335 2.174 10 0 BEAERN Clc1nc(Cl)nc(-c2ccns2)n1 ZINC000307688038 352921145 /nfs/dbraw/zinc/92/11/45/352921145.db2.gz FWBIMLGXLBOVQE-UHFFFAOYSA-N 0 0 233.083 2.302 10 0 BEAERN Cn1ncc(-c2cccc(Cl)c2)c1N ZINC000042413635 180810293 /nfs/dbraw/zinc/81/02/93/180810293.db2.gz FSRXZDCLAKYADQ-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN C[C@]12CCCN1C(=O)N(C1CCCCC1)C2=O ZINC000334293407 352930707 /nfs/dbraw/zinc/93/07/07/352930707.db2.gz QDCPYBHRZYRJPY-CYBMUJFWSA-N 0 0 236.315 2.136 10 0 BEAERN Cc1ccc(O)c(C(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000334339615 352975004 /nfs/dbraw/zinc/97/50/04/352975004.db2.gz MHSBFKCCVVFSGD-JQWIXIFHSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cc(Sc2ncccn2)nc(Cl)n1 ZINC000052815160 352983374 /nfs/dbraw/zinc/98/33/74/352983374.db2.gz FXGQASKBWOTIHW-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN COc1cc(C[C@H]2CCC(=O)C2)sn1 ZINC000307693895 352965939 /nfs/dbraw/zinc/96/59/39/352965939.db2.gz YJDLCOZCYSPHEH-ZETCQYMHSA-N 0 0 211.286 2.063 10 0 BEAERN O=C(OC1CC1)c1cc(Br)c[nH]1 ZINC000306453654 353016705 /nfs/dbraw/zinc/01/67/05/353016705.db2.gz XWTWYMVOIALTHY-UHFFFAOYSA-N 0 0 230.061 2.096 10 0 BEAERN Nc1nc(-c2cc(O)cc(Cl)c2)ns1 ZINC000306647694 353031958 /nfs/dbraw/zinc/03/19/58/353031958.db2.gz GOWASJIRLUWWDD-UHFFFAOYSA-N 0 0 227.676 2.146 10 0 BEAERN Fc1c(Br)[nH]ccc1=S ZINC000306281698 353001845 /nfs/dbraw/zinc/00/18/45/353001845.db2.gz KTUGZZBJQICACX-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN O=C1C[C@H](c2csc(Br)c2)N1 ZINC000306294289 353002569 /nfs/dbraw/zinc/00/25/69/353002569.db2.gz VWCNZOXIONQUFC-RXMQYKEDSA-N 0 0 232.102 2.072 10 0 BEAERN O=Cc1cnc(Cl)cc1OC(F)F ZINC000306699094 353036135 /nfs/dbraw/zinc/03/61/35/353036135.db2.gz HWRIRXLDAOUUOD-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN CCCc1ncc(N)cc1Br ZINC000307199970 353060360 /nfs/dbraw/zinc/06/03/60/353060360.db2.gz BRHZQPNWUNCAIB-UHFFFAOYSA-N 0 0 215.094 2.379 10 0 BEAERN c1ncc(-c2cnn3ccccc23)s1 ZINC000307049426 353051656 /nfs/dbraw/zinc/05/16/56/353051656.db2.gz CNINIHVMEWEHGD-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN CC(C)(c1nccs1)N1CCC(=O)CC1 ZINC000232524765 353106769 /nfs/dbraw/zinc/10/67/69/353106769.db2.gz TYLBNSNFQXHVPO-UHFFFAOYSA-N 0 0 224.329 2.043 10 0 BEAERN CN(C)c1ccc(Cl)cc1C(N)=S ZINC000052857871 353117617 /nfs/dbraw/zinc/11/76/17/353117617.db2.gz MFHLVAQKMBKMPQ-UHFFFAOYSA-N 0 0 214.721 2.040 10 0 BEAERN CC(C)(C)OCn1cc(Br)cn1 ZINC000307728506 353114415 /nfs/dbraw/zinc/11/44/15/353114415.db2.gz HSBBQHXHENSAAT-UHFFFAOYSA-N 0 0 233.109 2.418 10 0 BEAERN COC(=O)c1c(F)cc(F)c(C)c1F ZINC000307513937 353080050 /nfs/dbraw/zinc/08/00/50/353080050.db2.gz QWTCPYHGHAVCCL-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN Cc1cc(Cl)nc(C2CSC2)n1 ZINC000405127099 353122012 /nfs/dbraw/zinc/12/20/12/353122012.db2.gz DVKUCZSOCQWMOJ-UHFFFAOYSA-N 0 0 200.694 2.269 10 0 BEAERN CC1(C)C[C@H]1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000307744997 353125495 /nfs/dbraw/zinc/12/54/95/353125495.db2.gz QGONWYIOGMDXCQ-NTSWFWBYSA-N 0 0 222.115 2.095 10 0 BEAERN NN[C@@H](c1c(F)cccc1Cl)C(F)F ZINC000307748789 353126008 /nfs/dbraw/zinc/12/60/08/353126008.db2.gz DDFFXBRIBHLVSF-ZETCQYMHSA-N 0 0 224.613 2.249 10 0 BEAERN CC(C)=CCn1cc(Br)c(N)n1 ZINC000232555254 353127981 /nfs/dbraw/zinc/12/79/81/353127981.db2.gz OHOIJGKYEMSHHP-UHFFFAOYSA-N 0 0 230.109 2.194 10 0 BEAERN Clc1nccc(S[C@@H]2CCOC2)n1 ZINC000307751905 353128519 /nfs/dbraw/zinc/12/85/19/353128519.db2.gz PREZDGJPKZMJEA-ZCFIWIBFSA-N 0 0 216.693 2.011 10 0 BEAERN COc1ccc(OC)c2c(Cl)ncnc12 ZINC000160097182 353135984 /nfs/dbraw/zinc/13/59/84/353135984.db2.gz ZUJVNYFHVZHUII-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN CC(C)(O)[C@H](O)c1cc(F)ccc1Cl ZINC000232574725 353136692 /nfs/dbraw/zinc/13/66/92/353136692.db2.gz HPMMOSQGUDWSFS-SECBINFHSA-N 0 0 218.655 2.283 10 0 BEAERN CC(=O)[C@@]1(CC2CCCC2)CCOC1=O ZINC000232586361 353139197 /nfs/dbraw/zinc/13/91/97/353139197.db2.gz FBERHWFFOMSVGM-LBPRGKRZSA-N 0 0 210.273 2.089 10 0 BEAERN FC(F)[C@H]1C[C@@H]1Nc1cncc(Cl)n1 ZINC000307735675 353120828 /nfs/dbraw/zinc/12/08/28/353120828.db2.gz QUKXIRNQTRDXIB-WHFBIAKZSA-N 0 0 219.622 2.196 10 0 BEAERN Clc1nsnc1NC1CC=CC1 ZINC000229329161 353121239 /nfs/dbraw/zinc/12/12/39/353121239.db2.gz LMAIXUXZBQYLOQ-UHFFFAOYSA-N 0 0 201.682 2.322 10 0 BEAERN Nc1ccc(S[C@@H]2CCSC2)nc1 ZINC000405248212 353151993 /nfs/dbraw/zinc/15/19/93/353151993.db2.gz DPCVSNRLWBRCJN-MRVPVSSYSA-N 0 0 212.343 2.261 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1CCCS1 ZINC000306818809 188078761 /nfs/dbraw/zinc/07/87/61/188078761.db2.gz FTXYHRHBBRKTSG-IUCAKERBSA-N 0 0 201.335 2.043 10 0 BEAERN CCn1ccc(-c2cccnc2)c1C=O ZINC000536957744 323968675 /nfs/dbraw/zinc/96/86/75/323968675.db2.gz HEOPPNJFJKBQSA-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CC(C)CSCCCNC(=O)N[C@H]1C[C@@H]1C ZINC000124375480 188084329 /nfs/dbraw/zinc/08/43/29/188084329.db2.gz WKEBEADUTHGCQU-QWRGUYRKSA-N 0 0 244.404 2.473 10 0 BEAERN NC(=S)c1cccc(F)c1C(F)(F)F ZINC000536959660 323972085 /nfs/dbraw/zinc/97/20/85/323972085.db2.gz QICGZISNMSLKSG-UHFFFAOYSA-N 0 0 223.194 2.479 10 0 BEAERN CC(=O)Nc1sc(C)c(C)c1NC(C)=O ZINC000000040160 188098684 /nfs/dbraw/zinc/09/86/84/188098684.db2.gz SYUKEEJTWGSSAU-UHFFFAOYSA-N 0 0 226.301 2.282 10 0 BEAERN CC(=O)OCC[C@H]1CC(=O)[C@@H](C)C1(C)C ZINC000006030472 188102824 /nfs/dbraw/zinc/10/28/24/188102824.db2.gz ODBRWRPMELYFSQ-SCZZXKLOSA-N 0 0 212.289 2.191 10 0 BEAERN CC(=O)Nc1cccc(NCc2cncnc2)c1 ZINC000054766947 188086759 /nfs/dbraw/zinc/08/67/59/188086759.db2.gz XYEMEWYLWPHXQE-UHFFFAOYSA-N 0 0 242.282 2.047 10 0 BEAERN COc1ccc(Cn2ncc(Cl)c2N)cc1 ZINC000043665159 188123203 /nfs/dbraw/zinc/12/32/03/188123203.db2.gz WTDVIKUUUBBJOQ-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN CC(C)CNC(=O)[C@H](C)Nc1ccccc1 ZINC000020312331 188108595 /nfs/dbraw/zinc/10/85/95/188108595.db2.gz FKJNCBRHUVGYHY-NSHDSACASA-N 0 0 220.316 2.259 10 0 BEAERN CC(C)NC(=O)[C@H](C)Nc1ccccc1F ZINC000020304676 188108795 /nfs/dbraw/zinc/10/87/95/188108795.db2.gz MLYSZCGOMNIBQK-VIFPVBQESA-N 0 0 224.279 2.151 10 0 BEAERN CC(C)(C)OC(=O)CCc1ccc(O)cc1O ZINC000028645006 188110276 /nfs/dbraw/zinc/11/02/76/188110276.db2.gz KWJRQCHZZPTXIX-UHFFFAOYSA-N 0 0 238.283 2.372 10 0 BEAERN COc1cc(OC)cc(-n2cccc2C=O)c1 ZINC000035431258 188111562 /nfs/dbraw/zinc/11/15/62/188111562.db2.gz OPIIORCVIXZPQE-UHFFFAOYSA-N 0 0 231.251 2.307 10 0 BEAERN CC(C)(C)c1nc([C@@H](N)c2ccsc2)no1 ZINC000036764653 188112868 /nfs/dbraw/zinc/11/28/68/188112868.db2.gz CRFHOCTUYGIBJI-QMMMGPOBSA-N 0 0 237.328 2.477 10 0 BEAERN Cc1c(N)cccc1C(=O)N(C)[C@H](C)C1CC1 ZINC000036782808 188112987 /nfs/dbraw/zinc/11/29/87/188112987.db2.gz RFAVFMJQYDLKTQ-SNVBAGLBSA-N 0 0 232.327 2.448 10 0 BEAERN COc1ccc(OCc2cc(C)no2)c(C=O)c1 ZINC000037022404 188113099 /nfs/dbraw/zinc/11/30/99/188113099.db2.gz GVYWNVVPNLKDDF-UHFFFAOYSA-N 0 0 247.250 2.383 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc2c(c1)CCN2 ZINC000036895810 188113572 /nfs/dbraw/zinc/11/35/72/188113572.db2.gz RPEMBDUXRCKQCU-JTQLQIEISA-N 0 0 232.327 2.429 10 0 BEAERN CC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000037674942 188114206 /nfs/dbraw/zinc/11/42/06/188114206.db2.gz QEATVKFJNORTKT-UHFFFAOYSA-N 0 0 248.278 2.400 10 0 BEAERN C[NH+](C)CCOc1cc(C(=O)[O-])cc2occc21 ZINC000073739374 188114867 /nfs/dbraw/zinc/11/48/67/188114867.db2.gz OBWXBQDHYUEDQJ-UHFFFAOYSA-N 0 0 249.266 2.071 10 0 BEAERN CC(=O)CC(=O)N1CCC(c2ccccc2)CC1 ZINC000037839231 188115326 /nfs/dbraw/zinc/11/53/26/188115326.db2.gz DQZVXTKUCNFDMO-UHFFFAOYSA-N 0 0 245.322 2.372 10 0 BEAERN C[C@@H](Nc1ccc(=O)n(C)c1)c1cccc(O)c1 ZINC000037785261 188115376 /nfs/dbraw/zinc/11/53/76/188115376.db2.gz JTFGXSOGBNQLBI-SNVBAGLBSA-N 0 0 244.294 2.264 10 0 BEAERN COc1c(O)c(C=O)cc2ccccc21 ZINC000075602273 188115564 /nfs/dbraw/zinc/11/55/64/188115564.db2.gz ONFCYUAVETWKIG-UHFFFAOYSA-N 0 0 202.209 2.367 10 0 BEAERN Cc1nccc(CNCc2ccc(Cl)o2)n1 ZINC000037997789 188116379 /nfs/dbraw/zinc/11/63/79/188116379.db2.gz HCFNCMAUQBYMMZ-UHFFFAOYSA-N 0 0 237.690 2.321 10 0 BEAERN CC(C)([NH3+])c1noc(-c2ccccc2F)n1 ZINC000041052849 188117750 /nfs/dbraw/zinc/11/77/50/188117750.db2.gz DKKWSEBLZOOSJV-UHFFFAOYSA-N 0 0 221.235 2.070 10 0 BEAERN Cc1nn(Cc2ccccc2N)c(C)c1C ZINC000040728851 188117983 /nfs/dbraw/zinc/11/79/83/188117983.db2.gz LEKGWXWHWSIGTL-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN COC(OC)[C@@H]1C[C@@H](C(C)C)CCC1=O ZINC000122003464 538110367 /nfs/dbraw/zinc/11/03/67/538110367.db2.gz RSMLVERVKDMZOW-VHSXEESVSA-N 0 0 214.305 2.247 10 0 BEAERN COC(OC)[C@@H]1CCCC(C)(C)C1=O ZINC000122013038 538110428 /nfs/dbraw/zinc/11/04/28/538110428.db2.gz TUUOVUITWWEQIT-MRVPVSSYSA-N 0 0 200.278 2.001 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)C1CC1 ZINC000122010482 538110458 /nfs/dbraw/zinc/11/04/58/538110458.db2.gz IVMCAZMDISSKFH-MRVPVSSYSA-N 0 0 200.278 2.001 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1c(F)cccc1Cl ZINC000309108491 538110465 /nfs/dbraw/zinc/11/04/65/538110465.db2.gz NDHPDZKWEWRXCS-JTQLQIEISA-N 0 0 226.638 2.284 10 0 BEAERN CCn1nc(C)cc1C(=O)Nc1cccc(C)n1 ZINC000013699969 188106041 /nfs/dbraw/zinc/10/60/41/188106041.db2.gz LPLUFVKXUYDTQU-UHFFFAOYSA-N 0 0 244.298 2.167 10 0 BEAERN CC(=O)n1ncc2ccc(Br)cc21 ZINC000045028327 188123382 /nfs/dbraw/zinc/12/33/82/188123382.db2.gz MMYFQBBNEVXKAO-UHFFFAOYSA-N 0 0 239.072 2.459 10 0 BEAERN CC1(C)C[C@H]1NC(=O)c1cc(Cl)ccc1N ZINC000045114990 188123422 /nfs/dbraw/zinc/12/34/22/188123422.db2.gz ABVHZQQFQOOIJZ-SNVBAGLBSA-N 0 0 238.718 2.451 10 0 BEAERN CN(C)C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000049830407 188125718 /nfs/dbraw/zinc/12/57/18/188125718.db2.gz YYVLHDJOVHKDOA-UHFFFAOYSA-N 0 0 241.237 2.016 10 0 BEAERN CC(C)Cn1cnnc1-c1ccccc1N ZINC000054526262 188126956 /nfs/dbraw/zinc/12/69/56/188126956.db2.gz FSRNNNCVMJKICV-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN CC1(c2ccc(Cl)cc2)CC(=O)NC(=O)C1 ZINC000057529126 188127832 /nfs/dbraw/zinc/12/78/32/188127832.db2.gz WKPKSOMBZAQNLC-UHFFFAOYSA-N 0 0 237.686 2.034 10 0 BEAERN CCOC(OCC)[C@H]1CCC(C)(C)C1=O ZINC000122013486 538110505 /nfs/dbraw/zinc/11/05/05/538110505.db2.gz XXJCFGOITAZESY-VIFPVBQESA-N 0 0 214.305 2.391 10 0 BEAERN CCC[C@H](C)Cn1c(C)c(N)ccc1=O ZINC000309130697 538110512 /nfs/dbraw/zinc/11/05/12/538110512.db2.gz XUSNSBPFFYEUEF-VIFPVBQESA-N 0 0 208.305 2.175 10 0 BEAERN CCCn1ccnc(Oc2cccc(N)c2)c1=O ZINC000061766990 188128172 /nfs/dbraw/zinc/12/81/72/188128172.db2.gz GPLQOKOTBWSHBZ-UHFFFAOYSA-N 0 0 245.282 2.028 10 0 BEAERN CC(C)(C)c1cccc(-c2nsc(N)n2)n1 ZINC000067173917 188129590 /nfs/dbraw/zinc/12/95/90/188129590.db2.gz GMKXONPLCAUNIV-UHFFFAOYSA-N 0 0 234.328 2.480 10 0 BEAERN CC(=O)c1cnc(-c2ccccc2)n1C ZINC000075518121 188132648 /nfs/dbraw/zinc/13/26/48/188132648.db2.gz ZRCSKWCGDGXXSU-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN CC(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000082049703 188137254 /nfs/dbraw/zinc/13/72/54/188137254.db2.gz IXECYNPZHXXTAN-UHFFFAOYSA-N 0 0 219.162 2.225 10 0 BEAERN Cc1ccnc(Cl)c1NCc1cncnc1 ZINC000083361712 188142080 /nfs/dbraw/zinc/14/20/80/188142080.db2.gz YXBOSNZGKHOPHE-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN CC(=O)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000104063967 188150665 /nfs/dbraw/zinc/15/06/65/188150665.db2.gz ICQDRVLPHHJTFA-UHFFFAOYSA-N 0 0 238.193 2.146 10 0 BEAERN CC(C)[C@H](c1nc(-c2cccnc2)no1)[C@@H](C)O ZINC000104055677 188151058 /nfs/dbraw/zinc/15/10/58/188151058.db2.gz NNNXJVOCBZPJDQ-KOLCDFICSA-N 0 0 247.298 2.252 10 0 BEAERN CC(C)[C@H](O)Cc1nc(-c2ccccc2)no1 ZINC000109484446 188152453 /nfs/dbraw/zinc/15/24/53/188152453.db2.gz JSTKTRDKMCQTGV-LLVKDONJSA-N 0 0 232.283 2.296 10 0 BEAERN CC(=O)c1ccc(-n2sccc2=O)cc1 ZINC000045253722 188152569 /nfs/dbraw/zinc/15/25/69/188152569.db2.gz IFWSNCCCXFEADX-UHFFFAOYSA-N 0 0 219.265 2.102 10 0 BEAERN COc1cc(N)ccc1CC(F)(F)F ZINC000238378331 188154554 /nfs/dbraw/zinc/15/45/54/188154554.db2.gz FMHRCTHQHSPIEI-UHFFFAOYSA-N 0 0 205.179 2.382 10 0 BEAERN CC(C)=CCNC(=O)N[C@@H]1COc2ccccc21 ZINC000187936052 188170992 /nfs/dbraw/zinc/17/09/92/188170992.db2.gz WTNNSVZODBFUMJ-GFCCVEGCSA-N 0 0 246.310 2.386 10 0 BEAERN FC(F)(F)c1cnc2c(c1)NCCC2 ZINC000095763698 180897621 /nfs/dbraw/zinc/89/76/21/180897621.db2.gz HHPPBMRYOABBPZ-UHFFFAOYSA-N 0 0 202.179 2.459 10 0 BEAERN FC(F)(F)c1[nH]nc2ncnc(Cl)c21 ZINC000089222797 180897639 /nfs/dbraw/zinc/89/76/39/180897639.db2.gz TZDRIBGTCKCOTP-UHFFFAOYSA-N 0 0 222.557 2.025 10 0 BEAERN CC(=O)c1cc(Br)nc(C(C)=O)c1 ZINC000095766204 188146571 /nfs/dbraw/zinc/14/65/71/188146571.db2.gz GYLYUNYBFQBJSA-UHFFFAOYSA-N 0 0 242.072 2.249 10 0 BEAERN Cc1c(Br)cccc1O[N+](=O)[O-] ZINC000095932169 188147765 /nfs/dbraw/zinc/14/77/65/188147765.db2.gz BBICCCCIZLTQAK-UHFFFAOYSA-N 0 0 232.033 2.328 10 0 BEAERN Cc1cccc(Oc2ccncn2)c1N ZINC000040863417 188149460 /nfs/dbraw/zinc/14/94/60/188149460.db2.gz NXLGLRUGQIIEPZ-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CC(C)=CCn1cnc(=O)c2ccccc21 ZINC000098180548 188149779 /nfs/dbraw/zinc/14/97/79/188149779.db2.gz VDPRXPYFOKNDFU-UHFFFAOYSA-N 0 0 214.268 2.363 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ncc(F)cc1F ZINC000192061257 188174564 /nfs/dbraw/zinc/17/45/64/188174564.db2.gz JYDOJJGIWFVMTK-ZETCQYMHSA-N 0 0 228.242 2.134 10 0 BEAERN CCNc1cccc(N2CCCC2=O)c1 ZINC000020146433 188175536 /nfs/dbraw/zinc/17/55/36/188175536.db2.gz XADNYNIKDPLPJI-UHFFFAOYSA-N 0 0 204.273 2.245 10 0 BEAERN C=C/C(=C\C)CN1c2ccc(C)cc2[C@@H](N)C1=O ZINC000211939573 188178585 /nfs/dbraw/zinc/17/85/85/188178585.db2.gz MIFLFPLBPIWQIP-RKXVYHDYSA-N 0 0 242.322 2.474 10 0 BEAERN CCOc1cccc2oc(C(=N)N)cc21 ZINC000034556831 188183063 /nfs/dbraw/zinc/18/30/63/188183063.db2.gz DBLSQQQFTOPTPK-UHFFFAOYSA-N 0 0 204.229 2.116 10 0 BEAERN CC[C@@H](NN)c1csc(Br)c1 ZINC000126900611 353257703 /nfs/dbraw/zinc/25/77/03/353257703.db2.gz WROHCCWEESKBSV-ZCFIWIBFSA-N 0 0 235.150 2.425 10 0 BEAERN C[C@@H]1CCC[N@H+](CC(C)(C)C(=O)[O-])[C@H]1C ZINC000252196676 363211602 /nfs/dbraw/zinc/21/16/02/363211602.db2.gz SMQAVAQBLDCVMZ-ZJUUUORDSA-N 0 0 213.321 2.218 10 0 BEAERN Nc1cnccc1S[C@H]1CCSC1 ZINC000405341491 353264324 /nfs/dbraw/zinc/26/43/24/353264324.db2.gz ILRALEFXQHSYII-ZETCQYMHSA-N 0 0 212.343 2.261 10 0 BEAERN Clc1cc(C2CCCC2)nc2ncnn21 ZINC000127494906 353267550 /nfs/dbraw/zinc/26/75/50/353267550.db2.gz RLVCCJVVROINGZ-UHFFFAOYSA-N 0 0 222.679 2.435 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC000336464208 188229949 /nfs/dbraw/zinc/22/99/49/188229949.db2.gz ZSKJUESNUFABDF-WDEREUQCSA-N 0 0 242.363 2.240 10 0 BEAERN Cn1ccnc1C(=O)CC1=CCCCC1 ZINC000128229064 353284242 /nfs/dbraw/zinc/28/42/42/353284242.db2.gz DLWSQZGDBMHXED-UHFFFAOYSA-N 0 0 204.273 2.493 10 0 BEAERN CC1(C)CCC([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000309461932 538114283 /nfs/dbraw/zinc/11/42/83/538114283.db2.gz RDZAHPBOCJCNOW-QWRGUYRKSA-N 0 0 225.332 2.123 10 0 BEAERN CN(C)c1cc2c(c(Br)c1)CCN2 ZINC000096988471 188223659 /nfs/dbraw/zinc/22/36/59/188223659.db2.gz GBCOTMRNOKBPCB-UHFFFAOYSA-N 0 0 241.132 2.483 10 0 BEAERN CC(C)(C)n1nccc1NC(=O)N1CC2(CC2)C1 ZINC000333469713 188226842 /nfs/dbraw/zinc/22/68/42/188226842.db2.gz FSGQPGOSBQFQQE-UHFFFAOYSA-N 0 0 248.330 2.266 10 0 BEAERN O=C(c1cnsn1)c1c(F)cccc1F ZINC000160141116 353300153 /nfs/dbraw/zinc/30/01/53/353300153.db2.gz KGLKTIDSMAOHRL-UHFFFAOYSA-N 0 0 226.207 2.047 10 0 BEAERN COC1(c2noc(Cl)n2)CCCC1 ZINC000128926818 353305464 /nfs/dbraw/zinc/30/54/64/353305464.db2.gz SAYOUXNIUJZABU-UHFFFAOYSA-N 0 0 202.641 2.139 10 0 BEAERN CCC(O)(CC)Cn1ccc(C(F)(F)F)n1 ZINC000162900156 535223768 /nfs/dbraw/zinc/22/37/68/535223768.db2.gz GEIRQZLEQIRIIC-UHFFFAOYSA-N 0 0 236.237 2.453 10 0 BEAERN Brc1ccn([C@H]2CCSC2)n1 ZINC000405391797 353339889 /nfs/dbraw/zinc/33/98/89/353339889.db2.gz GVKVNAJKUTXZBH-LURJTMIESA-N 0 0 233.134 2.324 10 0 BEAERN CC[C@H]1C[C@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000230079082 353419218 /nfs/dbraw/zinc/41/92/18/353419218.db2.gz IXDYWLOQQAJUFJ-JOYOIKCWSA-N 0 0 239.340 2.301 10 0 BEAERN Brc1ccc(COC2COC2)s1 ZINC000165604547 353405591 /nfs/dbraw/zinc/40/55/91/353405591.db2.gz ZCYWOVPDKJQMBU-UHFFFAOYSA-N 0 0 249.129 2.426 10 0 BEAERN Fc1ccc(-n2nnc3cccnc32)c(F)c1 ZINC000139089879 180962165 /nfs/dbraw/zinc/96/21/65/180962165.db2.gz INTCQETXMUAQGB-UHFFFAOYSA-N 0 0 232.193 2.094 10 0 BEAERN Fc1ccc(-n2cnc(Br)n2)cc1 ZINC000117290845 180960199 /nfs/dbraw/zinc/96/01/99/180960199.db2.gz BXDJOYGNKVVADL-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN Fc1ccc(NCc2ccncn2)cc1F ZINC000054788641 180978696 /nfs/dbraw/zinc/97/86/96/180978696.db2.gz NEOKMNZACNLOIC-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN CC(C)(C)C(=O)Nc1cncc(Cl)n1 ZINC000136344092 353625843 /nfs/dbraw/zinc/62/58/43/353625843.db2.gz RCXOFQWANIQQLI-UHFFFAOYSA-N 0 0 213.668 2.115 10 0 BEAERN C[NH2+][C@]1(C(=O)[O-])C[C@H](C)CC[C@H]1C(C)C ZINC000252424106 363239098 /nfs/dbraw/zinc/23/90/98/363239098.db2.gz DZSABYUNKXUJLX-JFGNBEQYSA-N 0 0 213.321 2.121 10 0 BEAERN COc1ccc([C@H](O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000021990546 188463261 /nfs/dbraw/zinc/46/32/61/188463261.db2.gz RYWCCTNSLWPELM-WQAKAFBOSA-N 0 0 222.284 2.296 10 0 BEAERN COc1cc(N)ccc1NC(=O)c1ccoc1 ZINC000022142138 188463484 /nfs/dbraw/zinc/46/34/84/188463484.db2.gz SHRCLJVJSGMTKQ-UHFFFAOYSA-N 0 0 232.239 2.123 10 0 BEAERN CNc1nccn2c(-c3ccsc3)cnc12 ZINC000034428627 188452201 /nfs/dbraw/zinc/45/22/01/188452201.db2.gz LJELGROIPSBYGP-UHFFFAOYSA-N 0 0 230.296 2.500 10 0 BEAERN CC(C)(C)c1ccc2c(c1)N[C@@H](CO)CO2 ZINC000040564528 188474574 /nfs/dbraw/zinc/47/45/74/188474574.db2.gz KTQISDBLXJTXNF-JTQLQIEISA-N 0 0 221.300 2.149 10 0 BEAERN C[C@H]1COCC[C@@H]1c1nc(Cl)ns1 ZINC000300979533 363247900 /nfs/dbraw/zinc/24/79/00/363247900.db2.gz HZMYBLDZSVQISQ-WDSKDSINSA-N 0 0 218.709 2.332 10 0 BEAERN CC(C)(C)c1c(CO)nnn1-c1ccccc1 ZINC000045892005 188479852 /nfs/dbraw/zinc/47/98/52/188479852.db2.gz TVZMVQVQSSAJKD-UHFFFAOYSA-N 0 0 231.299 2.057 10 0 BEAERN CC(C)=CC(=O)N(C)c1ccc(O)cc1 ZINC000034972132 188467196 /nfs/dbraw/zinc/46/71/96/188467196.db2.gz PJOQKENQURWAJP-UHFFFAOYSA-N 0 0 205.257 2.321 10 0 BEAERN CCOC(=O)C[C@@H](C)C(=O)c1ccc(N)cc1 ZINC000034725936 188467343 /nfs/dbraw/zinc/46/73/43/188467343.db2.gz UXNFVYDIESWZQG-SECBINFHSA-N 0 0 235.283 2.041 10 0 BEAERN Fc1cccc(NCc2cc[nH]n2)c1F ZINC000040230271 181001809 /nfs/dbraw/zinc/00/18/09/181001809.db2.gz GCNVFJQZDXWYJX-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN CC[C@@H](NN)c1ccc(Br)s1 ZINC000097535379 353730905 /nfs/dbraw/zinc/73/09/05/353730905.db2.gz RBZBOBJZBIOJPY-RXMQYKEDSA-N 0 0 235.150 2.425 10 0 BEAERN O[C@@H](Cc1ccncc1)c1cccs1 ZINC000053134442 353749511 /nfs/dbraw/zinc/74/95/11/353749511.db2.gz YGVWXYYJNVYGQP-JTQLQIEISA-N 0 0 205.282 2.419 10 0 BEAERN Nc1cnc2cc3c(cc2c1Cl)OCO3 ZINC000165856296 353753246 /nfs/dbraw/zinc/75/32/46/353753246.db2.gz PZKRFMWYUYBRPR-UHFFFAOYSA-N 0 0 222.631 2.199 10 0 BEAERN Fc1cccnc1NCC[C@@H]1CCCO1 ZINC000054700699 181016126 /nfs/dbraw/zinc/01/61/26/181016126.db2.gz MGZFBYYCKIBDMZ-VIFPVBQESA-N 0 0 210.252 2.202 10 0 BEAERN COc1ccc(CC(=O)C2CC2)cc1F ZINC000041217099 188504015 /nfs/dbraw/zinc/50/40/15/188504015.db2.gz UTCLIEKMCZNQBS-UHFFFAOYSA-N 0 0 208.232 2.356 10 0 BEAERN Fc1cncc(C(F)(F)C(F)(F)F)n1 ZINC000096308626 181020098 /nfs/dbraw/zinc/02/00/98/181020098.db2.gz DRCJHPVQFVBTJB-UHFFFAOYSA-N 0 0 216.084 2.270 10 0 BEAERN CC(C)(C)c1cc2cccnc2[nH]c1=O ZINC000166002301 188519686 /nfs/dbraw/zinc/51/96/86/188519686.db2.gz MJTQPGFYXPZCDE-UHFFFAOYSA-N 0 0 202.257 2.221 10 0 BEAERN CCC(C)(C)CC(=O)N1CCC[C@H](O)[C@H]1C ZINC000334526872 353900404 /nfs/dbraw/zinc/90/04/04/353900404.db2.gz PWODKNZITYCKQC-MNOVXSKESA-N 0 0 227.348 2.185 10 0 BEAERN CC1CCN(C(=O)N2C[C@H]3CCC[C@H]32)CC1 ZINC000334554849 353999269 /nfs/dbraw/zinc/99/92/69/353999269.db2.gz AQAFSRBABJHIRX-VXGBXAGGSA-N 0 0 222.332 2.323 10 0 BEAERN Clc1nc(C2CCOCC2)ns1 ZINC000083720076 259451886 /nfs/dbraw/zinc/45/18/86/259451886.db2.gz QDRFLJOBRMEFDT-UHFFFAOYSA-N 0 0 204.682 2.086 10 0 BEAERN C[C@H]1COCC[C@@H]1c1nnc(Cl)s1 ZINC000301023304 363338184 /nfs/dbraw/zinc/33/81/84/363338184.db2.gz OFKUMDNUEOTPNT-WDSKDSINSA-N 0 0 218.709 2.332 10 0 BEAERN CC(C)Cn1ccnc(NCc2ccco2)c1=O ZINC000061761977 188582883 /nfs/dbraw/zinc/58/28/83/188582883.db2.gz OJMWJTXCOBVNLV-UHFFFAOYSA-N 0 0 247.298 2.104 10 0 BEAERN CC1CCC(CNCC(F)(F)CO)CC1 ZINC000231776340 363352774 /nfs/dbraw/zinc/35/27/74/363352774.db2.gz WWOGPLVFPGUXQI-UHFFFAOYSA-N 0 0 221.291 2.030 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nccc(OC)n1 ZINC000231663812 363347272 /nfs/dbraw/zinc/34/72/72/363347272.db2.gz DFWLIGMAWWSVQK-DTWKUNHWSA-N 0 0 207.277 2.086 10 0 BEAERN Fc1ccc(N2CC3(CCC3)[C@H]3COC[C@H]32)nc1 ZINC000334645476 354435188 /nfs/dbraw/zinc/43/51/88/354435188.db2.gz QEKBPWYEWPKTJL-NWDGAFQWSA-N 0 0 248.301 2.226 10 0 BEAERN CO[C@H](C)c1nc(Cl)cc(Cl)n1 ZINC000086574359 491063296 /nfs/dbraw/zinc/06/32/96/491063296.db2.gz JULSPDFQDUUWSL-SCSAIBSYSA-N 0 0 207.060 2.491 10 0 BEAERN Cc1nc(C)c(F)c(N2CC[C@H](C)[C@@H]2C)n1 ZINC000334664208 354465180 /nfs/dbraw/zinc/46/51/80/354465180.db2.gz NENCUOFJIZUTQP-CBAPKCEASA-N 0 0 223.295 2.467 10 0 BEAERN C[C@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H](C)O1 ZINC000334735423 354536219 /nfs/dbraw/zinc/53/62/19/354536219.db2.gz NDDBQYXIGQLMOR-IUCAKERBSA-N 0 0 247.285 2.058 10 0 BEAERN O=C(N[C@@H]1CC12CCCC2)N1CC[C@@H](F)C1 ZINC000334703245 354496390 /nfs/dbraw/zinc/49/63/90/354496390.db2.gz QGCUNRXQXJPDBZ-NXEZZACHSA-N 0 0 226.295 2.073 10 0 BEAERN CC(C)(C)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334740933 354544180 /nfs/dbraw/zinc/54/41/80/354544180.db2.gz INFLUIZPFIZKMB-QWRGUYRKSA-N 0 0 237.343 2.060 10 0 BEAERN FC(F)(F)CN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334795345 354549254 /nfs/dbraw/zinc/54/92/54/354549254.db2.gz GZESCKHZRPUTNZ-RKDXNWHRSA-N 0 0 235.249 2.050 10 0 BEAERN CCCCNC(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000346065369 354852290 /nfs/dbraw/zinc/85/22/90/354852290.db2.gz YTUSJHUPNXSHFZ-GHMZBOCLSA-N 0 0 242.363 2.289 10 0 BEAERN Cc1ncsc1CNc1nccnc1C(C)C ZINC000413120561 191357465 /nfs/dbraw/zinc/35/74/65/191357465.db2.gz CFONSZUJOATFEL-UHFFFAOYSA-N 0 0 248.355 2.399 10 0 BEAERN COCCCCNc1nccnc1C(C)C ZINC000413057278 191351196 /nfs/dbraw/zinc/35/11/96/191351196.db2.gz FGBGTSXHIHIMAI-UHFFFAOYSA-N 0 0 223.320 2.439 10 0 BEAERN CC(C)c1nccnc1NCCOC1CCCC1 ZINC000413072814 191354551 /nfs/dbraw/zinc/35/45/51/191354551.db2.gz PECBDMCQELOLCB-UHFFFAOYSA-N 0 0 249.358 2.393 10 0 BEAERN CO[C@@H]1C[C@H](Nc2nccnc2C(C)C)C1(C)C ZINC000413183708 191362496 /nfs/dbraw/zinc/36/24/96/191362496.db2.gz INXIJUHWDCNMMW-WDEREUQCSA-N 0 0 249.358 2.247 10 0 BEAERN CO[C@](C)(CNc1nccnc1C(C)C)C1CC1 ZINC000413293706 191369281 /nfs/dbraw/zinc/36/92/81/191369281.db2.gz CDNWDYZHBZGDNT-CQSZACIVSA-N 0 0 249.358 2.249 10 0 BEAERN CC(C)c1nccnc1NCCC1(O)CCC1 ZINC000413297156 191370723 /nfs/dbraw/zinc/37/07/23/191370723.db2.gz QZRCQWGRXIKZSY-UHFFFAOYSA-N 0 0 235.331 2.317 10 0 BEAERN Cc1ccncc1CNc1nccnc1C(C)C ZINC000413314652 191370877 /nfs/dbraw/zinc/37/08/77/191370877.db2.gz JNSQYMVZFWYROG-UHFFFAOYSA-N 0 0 242.326 2.337 10 0 BEAERN CC(C)c1nccnc1NCC1CC(F)(F)C1 ZINC000413308047 191370904 /nfs/dbraw/zinc/37/09/04/191370904.db2.gz ZUEZFNAVGACUMZ-UHFFFAOYSA-N 0 0 241.285 2.479 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1C[C@H]1C1CC1 ZINC000413314942 191371244 /nfs/dbraw/zinc/37/12/44/191371244.db2.gz JLBHVZUDNYMHLN-RYUDHWBXSA-N 0 0 231.343 2.480 10 0 BEAERN CSCCCNOCc1ccccc1 ZINC000134264992 355294396 /nfs/dbraw/zinc/29/43/96/355294396.db2.gz SDAOCSDNUZVLBM-UHFFFAOYSA-N 0 0 211.330 2.461 10 0 BEAERN Cc1nc(Cl)cc(=O)n1CCC(F)(F)F ZINC000166201434 355329788 /nfs/dbraw/zinc/32/97/88/355329788.db2.gz ZGKHIZLGZAHYTI-UHFFFAOYSA-N 0 0 240.612 2.158 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C(N)=O)CC1 ZINC000335805904 355476410 /nfs/dbraw/zinc/47/64/10/355476410.db2.gz XGSAQLQZJMAOMG-KOLCDFICSA-N 0 0 238.331 2.196 10 0 BEAERN CC1CN(C(=O)[C@H]2CCc3ccccc32)C1 ZINC000335841508 355585975 /nfs/dbraw/zinc/58/59/75/355585975.db2.gz QXHOEJQNDSLMDP-ZDUSSCGKSA-N 0 0 215.296 2.195 10 0 BEAERN CC(F)(F)C(C)(C)c1csc(N)n1 ZINC000406006938 355578030 /nfs/dbraw/zinc/57/80/30/355578030.db2.gz XTCOGWZJMHUVPH-UHFFFAOYSA-N 0 0 206.261 2.488 10 0 BEAERN CC(C)c1nccnc1NCCCn1cccn1 ZINC000350517108 355715908 /nfs/dbraw/zinc/71/59/08/355715908.db2.gz WWWACYDFMAGJQF-UHFFFAOYSA-N 0 0 245.330 2.299 10 0 BEAERN CCOC(=O)[C@H](Cl)/C=C/[C@@H](C)Cl ZINC000205658908 355684200 /nfs/dbraw/zinc/68/42/00/355684200.db2.gz QPNBBYJXULZLDF-XIMOZBJHSA-N 0 0 211.088 2.340 10 0 BEAERN NC1=NC(=O)SC1=Cc1ccccc1 ZINC000035576013 181208165 /nfs/dbraw/zinc/20/81/65/181208165.db2.gz BLDBPHNIFZMVEZ-VURMDHGXSA-N 0 0 204.254 2.461 10 0 BEAERN C[C@@H](CO)Sc1c(N)cccc1Cl ZINC000162331672 355759826 /nfs/dbraw/zinc/75/98/26/355759826.db2.gz VFOWUFLLJZGXGP-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN COc1cc2c(Cl)n[nH]c2cc1F ZINC000166605838 355725712 /nfs/dbraw/zinc/72/57/12/355725712.db2.gz OULBJBAAWBCMPB-UHFFFAOYSA-N 0 0 200.600 2.364 10 0 BEAERN CC(C)N(C)Cc1nnsc1Cl ZINC000035165060 355862675 /nfs/dbraw/zinc/86/26/75/355862675.db2.gz OEFSSRPFEMKDGD-UHFFFAOYSA-N 0 0 205.714 2.032 10 0 BEAERN Nc1nc(Cl)nc([C@H]2CCCCS2)n1 ZINC000137372308 355831582 /nfs/dbraw/zinc/83/15/82/355831582.db2.gz GAFYQFGEJQEZBV-RXMQYKEDSA-N 0 0 230.724 2.065 10 0 BEAERN CCCSCC(=O)Nc1cc(CC)[nH]n1 ZINC000049139514 355917187 /nfs/dbraw/zinc/91/71/87/355917187.db2.gz CFMDMNJXMXXHNA-UHFFFAOYSA-N 0 0 227.333 2.054 10 0 BEAERN C[C@@H]1CC[C@@H](NC2N=NC(=S)S2)C1 ZINC000129713549 355952644 /nfs/dbraw/zinc/95/26/44/355952644.db2.gz DWOAVKNKLRKXMO-PHDIDXHHSA-N 0 0 215.347 2.427 10 0 BEAERN CC(C)OC(=O)N1CCS[C@H](C)[C@H]1C ZINC000127864828 324792723 /nfs/dbraw/zinc/79/27/23/324792723.db2.gz FWTKKDXRLNOUPY-RKDXNWHRSA-N 0 0 217.334 2.357 10 0 BEAERN NC(=O)NC(=O)Nc1cccc2ccccc21 ZINC000004006338 181256030 /nfs/dbraw/zinc/25/60/30/181256030.db2.gz RJOIUYAZRUJCFD-UHFFFAOYSA-N 0 0 229.239 2.040 10 0 BEAERN CC(C)c1cc(NC(=O)N2C[C@H]3CCC[C@@H]32)no1 ZINC000329910995 356143378 /nfs/dbraw/zinc/14/33/78/356143378.db2.gz AHRZKELRUDKCAC-ZJUUUORDSA-N 0 0 249.314 2.236 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111788068 181251734 /nfs/dbraw/zinc/25/17/34/181251734.db2.gz XRADAGIINDRIOS-SECBINFHSA-N 0 0 224.691 2.208 10 0 BEAERN NC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000034452971 181259404 /nfs/dbraw/zinc/25/94/04/181259404.db2.gz DDMMVFOKMDSIJT-UHFFFAOYSA-N 0 0 219.071 2.162 10 0 BEAERN O=C(N[C@@H]1CCC12CCCC2)C1(O)CCCC1 ZINC000336114649 134087559 /nfs/dbraw/zinc/08/75/59/134087559.db2.gz MPJHRQZOWKDHOA-LLVKDONJSA-N 0 0 237.343 2.131 10 0 BEAERN NC(=O)Nc1cccc(NCC2CCOCC2)c1 ZINC000052178304 181262699 /nfs/dbraw/zinc/26/26/99/181262699.db2.gz RPLIUWIRMISKAJ-UHFFFAOYSA-N 0 0 249.314 2.016 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)c1ccccc1F ZINC000037941946 181266327 /nfs/dbraw/zinc/26/63/27/181266327.db2.gz DKNKIJOLMGOPGE-ZDUSSCGKSA-N 0 0 244.269 2.464 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)c1ccsc1 ZINC000037941792 181266698 /nfs/dbraw/zinc/26/66/98/181266698.db2.gz VFLJQRCYBMAPQF-NSHDSACASA-N 0 0 232.308 2.387 10 0 BEAERN CCOC(=O)/C=C/CCc1cccnc1 ZINC000002507214 356414555 /nfs/dbraw/zinc/41/45/55/356414555.db2.gz YTQSEGOSTMKINN-XBXARRHUSA-N 0 0 205.257 2.134 10 0 BEAERN CN(Cc1ccccc1)c1n[nH]c(=S)n1C ZINC000035222096 356419679 /nfs/dbraw/zinc/41/96/79/356419679.db2.gz BNMMQPGBZHPBGH-UHFFFAOYSA-N 0 0 234.328 2.114 10 0 BEAERN Cc1sc(C(=O)NC(C)(C)C)cc1N ZINC000040292155 356421348 /nfs/dbraw/zinc/42/13/48/356421348.db2.gz KLGBHFVDSIDEKA-UHFFFAOYSA-N 0 0 212.318 2.167 10 0 BEAERN Cc1c(Cl)ccc(C(N)=O)c1Cl ZINC000140009712 356452865 /nfs/dbraw/zinc/45/28/65/356452865.db2.gz BQQCTBZMXWPXEQ-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN NC(=O)[C@H](Nc1cccc(F)c1)C1CCCC1 ZINC000050272557 181278510 /nfs/dbraw/zinc/27/85/10/181278510.db2.gz QTTSSSULEWRORP-GFCCVEGCSA-N 0 0 236.290 2.282 10 0 BEAERN O=C1O[C@H](C(F)(F)F)N=C1Cc1ccccc1 ZINC000142071903 356468519 /nfs/dbraw/zinc/46/85/19/356468519.db2.gz ZAOAMTIDKBRQDW-SNVBAGLBSA-N 0 0 243.184 2.115 10 0 BEAERN Oc1cccc2c1CC[C@@H]2NCc1cnns1 ZINC000400239510 356490747 /nfs/dbraw/zinc/49/07/47/356490747.db2.gz SBBSBBDRESTVNG-NSHDSACASA-N 0 0 247.323 2.021 10 0 BEAERN CC(C)c1nccnc1N1C[C@@H](C)C[C@H](CO)C1 ZINC000420639752 192254189 /nfs/dbraw/zinc/25/41/89/192254189.db2.gz YCNCYDKXNPBCJG-RYUDHWBXSA-N 0 0 249.358 2.055 10 0 BEAERN CCCCN(C)C(=O)c1ccc(OC)c(N)c1 ZINC000019404904 168765621 /nfs/dbraw/zinc/76/56/21/168765621.db2.gz UZTPZUYBCNZDFX-UHFFFAOYSA-N 0 0 236.315 2.150 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ncccc2Cl)O1 ZINC000179669949 366282818 /nfs/dbraw/zinc/28/28/18/366282818.db2.gz GFMWJHFANNOQDJ-CBAPKCEASA-N 0 0 240.690 2.241 10 0 BEAERN CCn1c(C)nnc1CN1CC[C@H](C)[C@H](C)C1 ZINC000179695941 366287512 /nfs/dbraw/zinc/28/75/12/366287512.db2.gz JHOXGVJLYRUMBL-WDEREUQCSA-N 0 0 236.363 2.084 10 0 BEAERN O[C@H]1CCC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000613538831 363480501 /nfs/dbraw/zinc/48/05/01/363480501.db2.gz ZIOSDPSVLLYSLJ-UWVGGRQHSA-N 0 0 248.351 2.434 10 0 BEAERN CCN(c1nc(C(C)C)nc(N(C)C)n1)C1CC1 ZINC000301948262 356592118 /nfs/dbraw/zinc/59/21/18/356592118.db2.gz YMABBFZTJUUIHM-UHFFFAOYSA-N 0 0 249.362 2.050 10 0 BEAERN NC(=O)c1cc(-c2ccccc2)cc2n[nH]cc21 ZINC000089196326 181287121 /nfs/dbraw/zinc/28/71/21/181287121.db2.gz LCSSFHODRVTTRT-UHFFFAOYSA-N 0 0 237.262 2.329 10 0 BEAERN Cc1ccc(C)c(Cn2cc(N)cn2)c1 ZINC000049256812 538469333 /nfs/dbraw/zinc/46/93/33/538469333.db2.gz RJJWENGGIHLWFL-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1cccc([C@@H]2CC[C@H](CO)OC2)c1 ZINC000675058470 538481257 /nfs/dbraw/zinc/48/12/57/538481257.db2.gz HRHHQCXCBPPWBA-CHWSQXEVSA-N 0 0 206.285 2.250 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CC[C@]2(CO)CCC[C@H]12 ZINC000675051652 538475181 /nfs/dbraw/zinc/47/51/81/538475181.db2.gz WLNMIXLJPIEBNS-OBJOEFQTSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000675059819 538484885 /nfs/dbraw/zinc/48/48/85/538484885.db2.gz NMAKUUUZVLYBOE-MOLYVOAJSA-N 0 0 239.359 2.369 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H](C2CCCCCC2)C[NH2+]1 ZINC000675060082 538485901 /nfs/dbraw/zinc/48/59/01/538485901.db2.gz RQJBFHQJVGBEBI-NEPJUHHUSA-N 0 0 225.332 2.410 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000675061332 538488132 /nfs/dbraw/zinc/48/81/32/538488132.db2.gz ZERXVSHVLKLRSC-BFHYXJOUSA-N 0 0 245.322 2.229 10 0 BEAERN Cc1cnc(Br)c2cncnc12 ZINC000675063881 538490845 /nfs/dbraw/zinc/49/08/45/538490845.db2.gz RQKSLLCDAWFODZ-UHFFFAOYSA-N 0 0 224.061 2.096 10 0 BEAERN COC(=O)[C@H]1CCCCN1c1ccc(C=O)cc1 ZINC000675067778 538495038 /nfs/dbraw/zinc/49/50/38/538495038.db2.gz JKWDJLIVCRPOHY-CYBMUJFWSA-N 0 0 247.294 2.031 10 0 BEAERN Cn1ncc(N)c1-c1ccc(Cl)c(F)c1 ZINC000675071253 538502598 /nfs/dbraw/zinc/50/25/98/538502598.db2.gz ZEGZVBCSHVSQOY-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN Oc1ccc(-c2cnn3c2NCCC3)cc1 ZINC000675072699 538504370 /nfs/dbraw/zinc/50/43/70/538504370.db2.gz KCWTVDQHETVFCE-UHFFFAOYSA-N 0 0 215.256 2.071 10 0 BEAERN CCCCN=[S@@](=O)(NC)c1cccc(N)c1 ZINC000675074893 538507991 /nfs/dbraw/zinc/50/79/91/538507991.db2.gz JOEKORGKOZFZRC-INIZCTEOSA-N 0 0 241.360 2.030 10 0 BEAERN CCOC(=O)c1c(N)snc1C(C)C ZINC000675076014 538510410 /nfs/dbraw/zinc/51/04/10/538510410.db2.gz IJXNBRPZAITRBI-UHFFFAOYSA-N 0 0 214.290 2.025 10 0 BEAERN O=C(CC1CC1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000675081118 538520700 /nfs/dbraw/zinc/52/07/00/538520700.db2.gz HOAFMHGCSVOXCX-ZDUSSCGKSA-N 0 0 220.243 2.498 10 0 BEAERN CCCC(=O)[C@@H]1Cc2nc(C)ccc2O1 ZINC000675081099 538521389 /nfs/dbraw/zinc/52/13/89/538521389.db2.gz GPOBCVANNUFHNS-LBPRGKRZSA-N 0 0 205.257 2.063 10 0 BEAERN CC(C)C(=O)[C@H]1Cc2cc(F)cc(F)c2O1 ZINC000675081287 538521778 /nfs/dbraw/zinc/52/17/78/538521778.db2.gz PLDJBRMQGRNEOJ-SNVBAGLBSA-N 0 0 226.222 2.493 10 0 BEAERN CCOC(=O)[C@H]1OC12CCCCCCC2 ZINC000084324782 538532925 /nfs/dbraw/zinc/53/29/25/538532925.db2.gz VTRYDSFXBNZTEK-SNVBAGLBSA-N 0 0 212.289 2.431 10 0 BEAERN Cn1ncc(N)c1-c1cc(Cl)ccc1F ZINC000084499322 538534764 /nfs/dbraw/zinc/53/47/64/538534764.db2.gz DGJBOOOICLQYCQ-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]12CCCCC2(C)C ZINC000086849321 538560652 /nfs/dbraw/zinc/56/06/52/538560652.db2.gz RWPXEUMNTLGQRS-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C(C)C)OC12CCCCC2 ZINC000086182489 538550228 /nfs/dbraw/zinc/55/02/28/538550228.db2.gz QDWOKIQBOZMCKR-GFCCVEGCSA-N 0 0 212.289 2.287 10 0 BEAERN CCC[C@H](C)Cn1cc(N)c(C)cc1=O ZINC000086237591 538553724 /nfs/dbraw/zinc/55/37/24/538553724.db2.gz FJPCCYDPKOAAGU-VIFPVBQESA-N 0 0 208.305 2.175 10 0 BEAERN CC(C)c1ccc([C@@H]2CCS(=O)(=O)N2)cc1 ZINC000675081837 538523572 /nfs/dbraw/zinc/52/35/72/538523572.db2.gz OYRWABUNJLMTPD-LBPRGKRZSA-N 0 0 239.340 2.174 10 0 BEAERN CC(C)(C)c1nnc(-c2ccc(C=O)o2)o1 ZINC000675082656 538524088 /nfs/dbraw/zinc/52/40/88/538524088.db2.gz SWMZBRKPYRAOBW-UHFFFAOYSA-N 0 0 220.228 2.440 10 0 BEAERN Nc1ccc2cnn(CCC3CC3)c2c1 ZINC000083926659 538525287 /nfs/dbraw/zinc/52/52/87/538525287.db2.gz GVHZHJJAKSCWBN-UHFFFAOYSA-N 0 0 201.273 2.419 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)C1CCC1 ZINC000095644745 538608573 /nfs/dbraw/zinc/60/85/73/538608573.db2.gz FNKKVIQAHDYTJT-QMMMGPOBSA-N 0 0 227.304 2.269 10 0 BEAERN CSCCCn1ncc2ccc(N)cc21 ZINC000129112104 538572537 /nfs/dbraw/zinc/57/25/37/538572537.db2.gz OLVDOQIGCMEGJC-UHFFFAOYSA-N 0 0 221.329 2.372 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000089570675 538581811 /nfs/dbraw/zinc/58/18/11/538581811.db2.gz PDRCKPIVSQXTMS-CABZTGNLSA-N 0 0 246.310 2.151 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(-c3cncs3)no2)O1 ZINC000350907129 366367966 /nfs/dbraw/zinc/36/79/66/366367966.db2.gz GOFOCYAHMPZHKH-BQBZGAKWSA-N 0 0 237.284 2.433 10 0 BEAERN CCCCCCc1nc(C(=O)OCC)no1 ZINC000133836165 538610400 /nfs/dbraw/zinc/61/04/00/538610400.db2.gz YZEUOVHFKWQMEO-UHFFFAOYSA-N 0 0 226.276 2.369 10 0 BEAERN COC(CC(=O)c1cccc(C)c1)OC ZINC000096993500 538617633 /nfs/dbraw/zinc/61/76/33/538617633.db2.gz ACOYLROPRQOTLF-UHFFFAOYSA-N 0 0 208.257 2.187 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)Nc1ccsc1 ZINC000639797408 356754472 /nfs/dbraw/zinc/75/44/72/356754472.db2.gz MARKNOSNHLRATL-PSASIEDQSA-N 0 0 240.328 2.125 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)CCCCO ZINC000126399193 538696901 /nfs/dbraw/zinc/69/69/01/538696901.db2.gz XYGATERKTBMNHY-GFCCVEGCSA-N 0 0 227.348 2.330 10 0 BEAERN CCc1cccc2c3c([nH]c21)[C@@H](C(=O)[O-])[NH2+]CC3 ZINC000257586865 538737449 /nfs/dbraw/zinc/73/74/49/538737449.db2.gz ABYDUPCWLWUYKZ-ZDUSSCGKSA-N 0 0 244.294 2.002 10 0 BEAERN CCCC[C@H](CC)CNC(=O)NCC[C@@H](C)O ZINC000114818334 356902824 /nfs/dbraw/zinc/90/28/24/356902824.db2.gz CNJRFNKGTUPLIR-NEPJUHHUSA-N 0 0 244.379 2.273 10 0 BEAERN Cc1ccc(CCO)c(Br)c1 ZINC000129807920 356967210 /nfs/dbraw/zinc/96/72/10/356967210.db2.gz XFOXSNXZLCXAHG-UHFFFAOYSA-N 0 0 215.090 2.292 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@@H](C)COC)CC1 ZINC000117160327 356977489 /nfs/dbraw/zinc/97/74/89/356977489.db2.gz ROPXBXTUZSINRB-NWDGAFQWSA-N 0 0 227.348 2.308 10 0 BEAERN NC(=S)Cc1cc(Cl)cc2c1OCC2 ZINC000160451806 356981605 /nfs/dbraw/zinc/98/16/05/356981605.db2.gz GKTCWYADDRUFOV-UHFFFAOYSA-N 0 0 227.716 2.104 10 0 BEAERN CC(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000160471340 356989266 /nfs/dbraw/zinc/98/92/66/356989266.db2.gz QXOICEBETNVMKC-UHFFFAOYSA-N 0 0 210.660 2.406 10 0 BEAERN CC[N@H+](Cc1ccccn1)C[C@](C)(O)CC ZINC000119427707 357024111 /nfs/dbraw/zinc/02/41/11/357024111.db2.gz BHONMCZYFKRTOF-CYBMUJFWSA-N 0 0 222.332 2.065 10 0 BEAERN C[C@H]1CN(c2csc(C=O)c2)C[C@H](C)O1 ZINC000160519061 357030567 /nfs/dbraw/zinc/03/05/67/357030567.db2.gz DIODTZJRQATIRN-IUCAKERBSA-N 0 0 225.313 2.174 10 0 BEAERN Cc1nc(Br)cc(NC2CC2)n1 ZINC000160522142 357034208 /nfs/dbraw/zinc/03/42/08/357034208.db2.gz WSCHOEXTRXTXST-UHFFFAOYSA-N 0 0 228.093 2.122 10 0 BEAERN CNc1cc(Br)nc(C(C)C)n1 ZINC000160525447 357035515 /nfs/dbraw/zinc/03/55/15/357035515.db2.gz TYIZLQAFBHDKFI-UHFFFAOYSA-N 0 0 230.109 2.404 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1csc(C=O)c1 ZINC000160528955 357035782 /nfs/dbraw/zinc/03/57/82/357035782.db2.gz QJCYYJXCLYFBTJ-BDAKNGLRSA-N 0 0 225.313 2.174 10 0 BEAERN CCc1nccn1-c1csc(C=O)c1 ZINC000160578472 357080651 /nfs/dbraw/zinc/08/06/51/357080651.db2.gz RFDDHIXPBFRANQ-UHFFFAOYSA-N 0 0 206.270 2.309 10 0 BEAERN Cc1nnc(Sc2ccc(C=O)s2)[nH]1 ZINC000160638715 357151932 /nfs/dbraw/zinc/15/19/32/357151932.db2.gz UBYVJRJNAZSNDS-UHFFFAOYSA-N 0 0 225.298 2.138 10 0 BEAERN O=Cc1ccc(SC2COC2)s1 ZINC000160643775 357156508 /nfs/dbraw/zinc/15/65/08/357156508.db2.gz YSLWAMUTWLAZTQ-UHFFFAOYSA-N 0 0 200.284 2.052 10 0 BEAERN CC(C)(C)C1CCC(CS(N)(=O)=O)CC1 ZINC000156954008 538804420 /nfs/dbraw/zinc/80/44/20/538804420.db2.gz ASHFXZJUEXWMEF-UHFFFAOYSA-N 0 0 233.377 2.127 10 0 BEAERN Nc1nc(-c2ccccc2)nc2c1CCC2 ZINC000001699090 357160463 /nfs/dbraw/zinc/16/04/63/357160463.db2.gz MQTHCQVDULOJCK-UHFFFAOYSA-N 0 0 211.268 2.215 10 0 BEAERN Cc1nc(Br)cc(N[C@H]2C[C@@H]2C)n1 ZINC000160675307 357169474 /nfs/dbraw/zinc/16/94/74/357169474.db2.gz HSIFPOMQKWCROP-FSPLSTOPSA-N 0 0 242.120 2.368 10 0 BEAERN Cc1nc(Br)cc(N[C@@H]2C[C@@H]2C)n1 ZINC000160675176 357169644 /nfs/dbraw/zinc/16/96/44/357169644.db2.gz HSIFPOMQKWCROP-CAHLUQPWSA-N 0 0 242.120 2.368 10 0 BEAERN CCc1cnccc1-c1noc(C[C@H](O)CC)n1 ZINC000122255343 357170804 /nfs/dbraw/zinc/17/08/04/357170804.db2.gz QSVZQCNDSTYXBR-SNVBAGLBSA-N 0 0 247.298 2.007 10 0 BEAERN Cc1ccc2c(=O)c(Br)cnc-2[nH]1 ZINC000026439229 357117947 /nfs/dbraw/zinc/11/79/47/357117947.db2.gz KACBLLVGLIOHEF-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN Cc1cc(C)n(CC(=O)N[C@H](C)C(C)(C)C)n1 ZINC000112250571 357263168 /nfs/dbraw/zinc/26/31/68/357263168.db2.gz OVZAZEVTIJVBIK-LLVKDONJSA-N 0 0 237.347 2.051 10 0 BEAERN CCOC(=O)c1cc2c(C)cccc2c(=O)[nH]1 ZINC000260152069 538835267 /nfs/dbraw/zinc/83/52/67/538835267.db2.gz RNLBBNGBXFOXNV-UHFFFAOYSA-N 0 0 231.251 2.426 10 0 BEAERN NC(=O)c1cc(NC2CCC2)c(F)cc1F ZINC000044480741 181291159 /nfs/dbraw/zinc/29/11/59/181291159.db2.gz RCBCQKANGXZHAV-UHFFFAOYSA-N 0 0 226.226 2.028 10 0 BEAERN NC(=O)c1cc(NC2CCC2)ccc1Cl ZINC000044481234 181291376 /nfs/dbraw/zinc/29/13/76/181291376.db2.gz GBALBPHRJADKNA-UHFFFAOYSA-N 0 0 224.691 2.403 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000188561840 357561394 /nfs/dbraw/zinc/56/13/94/357561394.db2.gz SYBXTUGXYCDFNX-UPJWGTAASA-N 0 0 239.359 2.450 10 0 BEAERN CCOC(=O)c1n[nH]nc1-c1ccc(C)s1 ZINC000260832044 538851999 /nfs/dbraw/zinc/85/19/99/538851999.db2.gz TVSUBFDIUFIAMD-UHFFFAOYSA-N 0 0 237.284 2.018 10 0 BEAERN Cc1cnc([C@@H](C)NCCOCC(C)C)o1 ZINC000231741735 357623771 /nfs/dbraw/zinc/62/37/71/357623771.db2.gz DYZVZMGADIGXFR-LLVKDONJSA-N 0 0 226.320 2.306 10 0 BEAERN CCC(C)(CC)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000158544266 538863829 /nfs/dbraw/zinc/86/38/29/538863829.db2.gz YRSALJCIODCBTB-GHMZBOCLSA-N 0 0 227.348 2.449 10 0 BEAERN CCC(C)(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000158820518 538868171 /nfs/dbraw/zinc/86/81/71/538868171.db2.gz BIPWDFGHWKJPBF-MNOVXSKESA-N 0 0 227.348 2.496 10 0 BEAERN CCC(C)(CC)NC(=O)c1cnn2ccncc12 ZINC000189004471 357600334 /nfs/dbraw/zinc/60/03/34/357600334.db2.gz GLLOHJHPERUGIZ-UHFFFAOYSA-N 0 0 246.314 2.038 10 0 BEAERN CCCn1cc(CN[C@@H](C)c2ncc(C)o2)cn1 ZINC000231532489 357609503 /nfs/dbraw/zinc/60/95/03/357609503.db2.gz ZHSDYVCEJKOQEX-NSHDSACASA-N 0 0 248.330 2.440 10 0 BEAERN Cc1cc(C(=O)N[C@H]2COc3ccccc32)co1 ZINC000189128337 357616562 /nfs/dbraw/zinc/61/65/62/357616562.db2.gz PZNQVVDNLGHZHK-LBPRGKRZSA-N 0 0 243.262 2.452 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1n[nH]c2c1CCCCC2 ZINC000189635153 357650565 /nfs/dbraw/zinc/65/05/65/357650565.db2.gz LUUWGFNQIRDBQQ-SNVBAGLBSA-N 0 0 249.358 2.453 10 0 BEAERN CC(C)[N@H+](C)C1CCC(C)(C(=O)[O-])CC1 ZINC000685947389 538889167 /nfs/dbraw/zinc/88/91/67/538889167.db2.gz MOYCKDVXRFROEQ-UHFFFAOYSA-N 0 0 213.321 2.360 10 0 BEAERN CCC(F)(F)c1n[nH]c(=S)n1C1CC1 ZINC000685949647 538892814 /nfs/dbraw/zinc/89/28/14/538892814.db2.gz FQKMVNGVEWCBDO-UHFFFAOYSA-N 0 0 219.260 2.404 10 0 BEAERN CCCCC1N=NC(=S)N1CC(F)(F)F ZINC000685949674 538892863 /nfs/dbraw/zinc/89/28/63/538892863.db2.gz GZSMLDSKQDSPKX-UHFFFAOYSA-N 0 0 239.266 2.472 10 0 BEAERN FC(F)CN1C(=S)N=NC1C1CCC1 ZINC000685950144 538893255 /nfs/dbraw/zinc/89/32/55/538893255.db2.gz OMHUADOBDJOHCI-UHFFFAOYSA-N 0 0 219.260 2.099 10 0 BEAERN CCOCCN1C(=S)N=NC1C1CCCC1 ZINC000685950179 538893494 /nfs/dbraw/zinc/89/34/94/538893494.db2.gz REGBMOQFPNVWBK-UHFFFAOYSA-N 0 0 241.360 2.261 10 0 BEAERN CC[C@@H](C)CC1N=NC(=S)N1CC(F)F ZINC000685950233 538893575 /nfs/dbraw/zinc/89/35/75/538893575.db2.gz SPELYQMJOPZTDP-ZCFIWIBFSA-N 0 0 235.303 2.421 10 0 BEAERN COC(=O)[C@@H]1COc2ccc(Cl)c(F)c21 ZINC000685951843 538895489 /nfs/dbraw/zinc/89/54/89/538895489.db2.gz IOHWQFDYCGONIN-RXMQYKEDSA-N 0 0 230.622 2.128 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@H]1C ZINC000189902955 357675520 /nfs/dbraw/zinc/67/55/20/357675520.db2.gz ORPPJEDWCZRZIC-FDYHWXHSSA-N 0 0 239.359 2.306 10 0 BEAERN NC(=O)c1cc(Sc2ccc(O)cc2)ccn1 ZINC000038079253 181292246 /nfs/dbraw/zinc/29/22/46/181292246.db2.gz FYQVLGGQKCHYKE-UHFFFAOYSA-N 0 0 246.291 2.037 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nc(OC)cc(OC)n1 ZINC000233439390 357723648 /nfs/dbraw/zinc/72/36/48/357723648.db2.gz ZCGFOBCRLBBFEN-DTWKUNHWSA-N 0 0 237.303 2.094 10 0 BEAERN NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190056273 357687819 /nfs/dbraw/zinc/68/78/19/357687819.db2.gz GQPLJPHTKSGTIK-MRVPVSSYSA-N 0 0 240.253 2.223 10 0 BEAERN CCCC(C)(C)NC(=O)[C@H]1CCCO[C@H]1C ZINC000190787684 357731075 /nfs/dbraw/zinc/73/10/75/357731075.db2.gz IHRWQFQVTMYARQ-QWRGUYRKSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)N(CCc1nccs1)C(=O)C1CC1 ZINC000132555630 325225215 /nfs/dbraw/zinc/22/52/15/325225215.db2.gz BGQLJIFTZQGWGT-UHFFFAOYSA-N 0 0 238.356 2.333 10 0 BEAERN O[C@@H]1CCCC[C@H]1n1nccc1-c1cccnc1 ZINC000193094841 357867191 /nfs/dbraw/zinc/86/71/91/357867191.db2.gz QBZSSCUKROELJR-ZIAGYGMSSA-N 0 0 243.310 2.421 10 0 BEAERN C[C@@H](OCC1CC1)C(=O)N1CCCC1(C)C ZINC000102920207 357948820 /nfs/dbraw/zinc/94/88/20/357948820.db2.gz QHVJDNRJXKUSSL-SNVBAGLBSA-N 0 0 225.332 2.203 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(C)c1 ZINC000075528038 325299423 /nfs/dbraw/zinc/29/94/23/325299423.db2.gz BVLKIVIVNVBQGC-JQWIXIFHSA-N 0 0 203.285 2.442 10 0 BEAERN O=C(Cc1ccccc1)NCCc1cscn1 ZINC000036103997 358010817 /nfs/dbraw/zinc/01/08/17/358010817.db2.gz RDVSLTNAPOYHCU-UHFFFAOYSA-N 0 0 246.335 2.045 10 0 BEAERN CS[C@H](C)CNC(=O)N[C@@H](C)C(C)C ZINC000133681664 325309034 /nfs/dbraw/zinc/30/90/34/325309034.db2.gz YPVFXXNDCWRIOJ-BDAKNGLRSA-N 0 0 218.366 2.082 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2c(F)cccc2F)O1 ZINC000134093749 325342825 /nfs/dbraw/zinc/34/28/25/325342825.db2.gz UIJKVENRZYMPPG-XVKPBYJWSA-N 0 0 241.237 2.471 10 0 BEAERN c1cncc(N2CSCCSC2)c1 ZINC000584630812 358116551 /nfs/dbraw/zinc/11/65/51/358116551.db2.gz NRIGOGVSBYRIAD-UHFFFAOYSA-N 0 0 212.343 2.283 10 0 BEAERN Cc1ccnc(NC(=O)OC(C)(C)C)c1N ZINC000039369227 358223439 /nfs/dbraw/zinc/22/34/39/358223439.db2.gz YIMYJDQDPMZTKN-UHFFFAOYSA-N 0 0 223.276 2.319 10 0 BEAERN COC(OC)c1ccc2ccc(C)nc2n1 ZINC000584615997 358280972 /nfs/dbraw/zinc/28/09/72/358280972.db2.gz NHXCSYPLUFWOQC-UHFFFAOYSA-N 0 0 218.256 2.230 10 0 BEAERN COc1ccc(Cn2ccnc2)c(C)c1 ZINC000584613445 358277503 /nfs/dbraw/zinc/27/75/03/358277503.db2.gz KDXGWMNXZSMNJM-UHFFFAOYSA-N 0 0 202.257 2.248 10 0 BEAERN C[C@H]1CCC(=O)N1Cc1cccc(F)c1 ZINC000584613410 358277521 /nfs/dbraw/zinc/27/75/21/358277521.db2.gz AATYEFLPWSSZDR-VIFPVBQESA-N 0 0 207.248 2.337 10 0 BEAERN OCc1cccc(CO)c1Oc1ccccc1 ZINC000584614631 358279569 /nfs/dbraw/zinc/27/95/69/358279569.db2.gz AKQQDIQMBHWXHM-UHFFFAOYSA-N 0 0 230.263 2.464 10 0 BEAERN CC(=O)Nc1cc(C)c2[nH]c(C)c(C)c(=O)c2c1 ZINC000584591067 358249452 /nfs/dbraw/zinc/24/94/52/358249452.db2.gz PGGWBLWIJTVBIT-UHFFFAOYSA-N 0 0 244.294 2.412 10 0 BEAERN CC[C@@H](Cc1ccc(OC)cc1)N1CC1 ZINC000584591760 358250463 /nfs/dbraw/zinc/25/04/63/358250463.db2.gz IKZAHSJCNIWPQP-LBPRGKRZSA-N 0 0 205.301 2.332 10 0 BEAERN CC(C)C[S@](=O)c1cccc(C=O)c1 ZINC000584592642 358251000 /nfs/dbraw/zinc/25/10/00/358251000.db2.gz XPIRJDCBAJLGPK-AWEZNQCLSA-N 0 0 210.298 2.263 10 0 BEAERN CC[C@H](CC(=O)OC)C(=O)c1ccc(N)cc1 ZINC000584594831 358251737 /nfs/dbraw/zinc/25/17/37/358251737.db2.gz ZUPCMUTUYDPURD-SECBINFHSA-N 0 0 235.283 2.041 10 0 BEAERN COC=C1CCC(O)(C(F)(F)F)CC1 ZINC000584601282 358258072 /nfs/dbraw/zinc/25/80/72/358258072.db2.gz JEMRWHRGUTUUJY-UHFFFAOYSA-N 0 0 210.195 2.384 10 0 BEAERN OC[C@@H]1C[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2C1 ZINC000584601340 358258149 /nfs/dbraw/zinc/25/81/49/358258149.db2.gz DWZURVYPTKXJTF-FMKGYKFTSA-N 0 0 234.295 2.119 10 0 BEAERN CCO[C@H](O)[C@@H]1[C@@H](C)[C@H]1Oc1ccccc1 ZINC000584601699 358258873 /nfs/dbraw/zinc/25/88/73/358258873.db2.gz AQJOHRNUQGRIQP-JHEVNIALSA-N 0 0 222.284 2.055 10 0 BEAERN CCO[C@@H](O)[C@@H]1[C@@H](C)[C@@H]1Oc1ccccc1 ZINC000584601698 358258905 /nfs/dbraw/zinc/25/89/05/358258905.db2.gz AQJOHRNUQGRIQP-FOUMNBMASA-N 0 0 222.284 2.055 10 0 BEAERN CO[P@](C)(=O)OCC(=O)CCc1ccco1 ZINC000584602393 358259962 /nfs/dbraw/zinc/25/99/62/358259962.db2.gz FLGTXTGPBZNCSV-INIZCTEOSA-N 0 0 246.199 2.267 10 0 BEAERN CN(C(=O)C1CC1)[C@@H]1Cc2ccccc2C(=O)C1 ZINC000584602246 358260096 /nfs/dbraw/zinc/26/00/96/358260096.db2.gz PITJUVHXHVTDQO-GFCCVEGCSA-N 0 0 243.306 2.053 10 0 BEAERN COP(=O)(OC)[C@](C)(O)c1cccs1 ZINC000584602761 358260480 /nfs/dbraw/zinc/26/04/80/358260480.db2.gz VUNMCJNPFFZYOV-QMMMGPOBSA-N 0 0 236.229 2.399 10 0 BEAERN COP(=O)(OC)c1ccc2[nH]ccc2c1 ZINC000584602676 358260729 /nfs/dbraw/zinc/26/07/29/358260729.db2.gz RZADSAJCSUWLBQ-UHFFFAOYSA-N 0 0 225.184 2.279 10 0 BEAERN CO[C@@H]1C=C(I)CC1 ZINC000584602965 358261452 /nfs/dbraw/zinc/26/14/52/358261452.db2.gz IUXMBNLPCSXNAB-LURJTMIESA-N 0 0 224.041 2.114 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Cc1cccs1 ZINC000584603277 358262009 /nfs/dbraw/zinc/26/20/09/358262009.db2.gz VGXDMTZJXJFSIK-QMMMGPOBSA-N 0 0 226.297 2.059 10 0 BEAERN COc1ccc(C(C)=O)cc1CCOC(C)=O ZINC000584603613 358262432 /nfs/dbraw/zinc/26/24/32/358262432.db2.gz DKKWENLWKHZSCX-UHFFFAOYSA-N 0 0 236.267 2.003 10 0 BEAERN CCO[P@](=O)(CC)c1cccc(N)c1 ZINC000584603598 358262519 /nfs/dbraw/zinc/26/25/19/358262519.db2.gz HUGWZKWVBPDRGW-CQSZACIVSA-N 0 0 213.217 2.229 10 0 BEAERN CC(=O)c1ccc(Br)c(CO)c1 ZINC000584603655 358262619 /nfs/dbraw/zinc/26/26/19/358262619.db2.gz GJPHOKGFGGIQCC-UHFFFAOYSA-N 0 0 229.073 2.144 10 0 BEAERN COC(OC)c1ccc2c(n1)N[C@@H](C)CC2 ZINC000584615890 358280270 /nfs/dbraw/zinc/28/02/70/358280270.db2.gz AEIQAZAKQLAYSV-QMMMGPOBSA-N 0 0 222.288 2.120 10 0 BEAERN CCCCOC(=O)C[C@@H](CC(N)=O)CC(C)C ZINC000584604788 358263750 /nfs/dbraw/zinc/26/37/50/358263750.db2.gz FKAZYAOAVBVBBU-LLVKDONJSA-N 0 0 243.347 2.258 10 0 BEAERN CCO[N-][N+](=O)C=Cc1ccccc1F ZINC000584609236 358270536 /nfs/dbraw/zinc/27/05/36/358270536.db2.gz AUNJTEXKWZPRSG-BQYQJAHWSA-N 0 0 211.216 2.031 10 0 BEAERN C/C=C/N(C(=O)OC)C(=O)c1ccccc1 ZINC000584610029 358272306 /nfs/dbraw/zinc/27/23/06/358272306.db2.gz CMAKHWGKWMCMHY-YCRREMRBSA-N 0 0 219.240 2.429 10 0 BEAERN CCOC(=O)/C=C/[C@@H](O)c1ccc(Cl)cc1 ZINC000584610269 358273198 /nfs/dbraw/zinc/27/31/98/358273198.db2.gz WBBLZJFEKYDJMF-WSKFYRRCSA-N 0 0 240.686 2.493 10 0 BEAERN Nc1ccc2c(c1)CN(CC1(F)CC1)C2 ZINC000584619259 358285422 /nfs/dbraw/zinc/28/54/22/358285422.db2.gz JCGUJECKTOPXGG-UHFFFAOYSA-N 0 0 206.264 2.087 10 0 BEAERN Cc1nn(Cc2cc(C(C)C)no2)c(C)c1N ZINC000584619182 358285630 /nfs/dbraw/zinc/28/56/30/358285630.db2.gz KZSDIXPQIMLJHG-UHFFFAOYSA-N 0 0 234.303 2.242 10 0 BEAERN CC1(C)CC(n2cc(N)cn2)CC(C)(C)O1 ZINC000584619110 358285703 /nfs/dbraw/zinc/28/57/03/358285703.db2.gz GQRKFHFXIWQWJM-UHFFFAOYSA-N 0 0 223.320 2.374 10 0 BEAERN Cc1c(N)cnn1Cc1ccc(F)c(F)c1 ZINC000584619275 358285710 /nfs/dbraw/zinc/28/57/10/358285710.db2.gz ROECATZBFBWXSF-UHFFFAOYSA-N 0 0 223.226 2.100 10 0 BEAERN Cc1nc(Cl)c2cc(CO)[nH]c2c1C ZINC000584620132 358286932 /nfs/dbraw/zinc/28/69/32/358286932.db2.gz PBBLGVQSHOXZIU-UHFFFAOYSA-N 0 0 210.664 2.325 10 0 BEAERN O=C1C[C@H]([C@@H]2CCOC2)c2ccccc2N1 ZINC000584621630 358289319 /nfs/dbraw/zinc/28/93/19/358289319.db2.gz AAAJPACZOCJWEX-MWLCHTKSSA-N 0 0 217.268 2.149 10 0 BEAERN CCc1cc(C(=O)N2CCC[C@H]2C)c(=O)[nH]c1C ZINC000584622179 358290151 /nfs/dbraw/zinc/29/01/51/358290151.db2.gz ZGKOTXXLBGHAGO-SECBINFHSA-N 0 0 248.326 2.283 10 0 BEAERN CCOC(=O)/C=C/c1cnccc1-c1cn[nH]c1 ZINC000584627513 358296993 /nfs/dbraw/zinc/29/69/93/358296993.db2.gz FJCXIXSPXUYXAE-ONEGZZNKSA-N 0 0 243.266 2.048 10 0 BEAERN C[C@H](COCc1ccccc1)c1cnc(N)cn1 ZINC000584628167 358297348 /nfs/dbraw/zinc/29/73/48/358297348.db2.gz AMJYJJHXZFHGDJ-LLVKDONJSA-N 0 0 243.310 2.379 10 0 BEAERN CCCOc1cc2ccccc2nc1N ZINC000584630799 358300853 /nfs/dbraw/zinc/30/08/53/358300853.db2.gz KXSHLJDNGIMKQK-UHFFFAOYSA-N 0 0 202.257 2.436 10 0 BEAERN Cc1nc(=O)c2cc(Cl)sc2[nH]1 ZINC000584648057 358302859 /nfs/dbraw/zinc/30/28/59/358302859.db2.gz SNGXOIPIFAETBZ-UHFFFAOYSA-N 0 0 200.650 2.359 10 0 BEAERN CO/C=C/c1cc(Br)cnc1OC ZINC000584648248 358302941 /nfs/dbraw/zinc/30/29/41/358302941.db2.gz BGVHRXBXMJGKCR-ONEGZZNKSA-N 0 0 244.088 2.470 10 0 BEAERN NNc1ccc(Oc2ccccc2)nc1 ZINC000584649813 358304086 /nfs/dbraw/zinc/30/40/86/358304086.db2.gz MZZXTWBVZIFJDV-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1cc(OCCN2CC2)nc2ccccc12 ZINC000584650362 358305070 /nfs/dbraw/zinc/30/50/70/358305070.db2.gz BWZCAZIYTOORQM-UHFFFAOYSA-N 0 0 228.295 2.238 10 0 BEAERN c1cnn(P(c2ccccc2)n2cccn2)c1 ZINC000584651518 358306257 /nfs/dbraw/zinc/30/62/57/358306257.db2.gz HLMQQJRVWBDANI-UHFFFAOYSA-N 0 0 242.222 2.113 10 0 BEAERN CN1C(=O)C[C@]2(CC[C@@H]3CCCC[C@H]3C2)C1=O ZINC000584652232 358306957 /nfs/dbraw/zinc/30/69/57/358306957.db2.gz BDPFPWDAJLJNSE-COPLHBTASA-N 0 0 235.327 2.352 10 0 BEAERN CCO[C@@]1(CCOCOC)CC=C(C)CO1 ZINC000584659014 358310751 /nfs/dbraw/zinc/31/07/51/358310751.db2.gz VBWRAVMKQLBFPB-LBPRGKRZSA-N 0 0 230.304 2.096 10 0 BEAERN O=Cc1cncn1Cc1nc2ccccc2s1 ZINC000584617990 358283571 /nfs/dbraw/zinc/28/35/71/358283571.db2.gz ZTFGGUKJLIJWEW-UHFFFAOYSA-N 0 0 243.291 2.354 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc2c[nH]nc21 ZINC000584617910 358283641 /nfs/dbraw/zinc/28/36/41/358283641.db2.gz ROCJGAHEHOEGPF-UHFFFAOYSA-N 0 0 244.172 2.368 10 0 BEAERN FC1(F)CN(c2cccnc2Cl)C1 ZINC000584646707 358331528 /nfs/dbraw/zinc/33/15/28/358331528.db2.gz XIEHZTFZEKGWNS-UHFFFAOYSA-N 0 0 204.607 2.190 10 0 BEAERN CCCSCNC(=O)NCSCCC ZINC000584647267 358332112 /nfs/dbraw/zinc/33/21/12/358332112.db2.gz AIWDJLBNAVJEOU-UHFFFAOYSA-N 0 0 236.406 2.487 10 0 BEAERN Nc1ccc(Cl)nc1NCC1CCOCC1 ZINC000225981289 358332286 /nfs/dbraw/zinc/33/22/86/358332286.db2.gz OPZQJVHVQIRYKK-UHFFFAOYSA-N 0 0 241.722 2.156 10 0 BEAERN CN(C)C(=O)c1cnc(Cl)cc1Cl ZINC000584632061 358314846 /nfs/dbraw/zinc/31/48/46/358314846.db2.gz BRDLQNKUQPJTHL-UHFFFAOYSA-N 0 0 219.071 2.090 10 0 BEAERN Fc1cc(N2CCOCC2)c(F)c(F)c1F ZINC000584633453 358317123 /nfs/dbraw/zinc/31/71/23/358317123.db2.gz MUVSAPPXWPMWPO-UHFFFAOYSA-N 0 0 235.180 2.080 10 0 BEAERN CCCc1cc(C(=O)NC2CCC2)c(=O)[nH]c1C ZINC000584633768 358317275 /nfs/dbraw/zinc/31/72/75/358317275.db2.gz CIRINJBUPGLBNE-UHFFFAOYSA-N 0 0 248.326 2.330 10 0 BEAERN Cc1cc(C(=O)NC2CCCCC2)c(=O)[nH]c1C ZINC000584634033 358317383 /nfs/dbraw/zinc/31/73/83/358317383.db2.gz NANLWVQMBKCRAM-UHFFFAOYSA-N 0 0 248.326 2.467 10 0 BEAERN C/C=C/CNC(=O)c1cc(CC)c(CC)[nH]c1=O ZINC000584633933 358317454 /nfs/dbraw/zinc/31/74/54/358317454.db2.gz KNHQEKCZUKXLKT-QPJJXVBHSA-N 0 0 248.326 2.218 10 0 BEAERN Cc1ncc(CO)c(Cc2ccccc2)c1O ZINC000584633949 358317577 /nfs/dbraw/zinc/31/75/77/358317577.db2.gz SHFNUPJVFWSTGN-UHFFFAOYSA-N 0 0 229.279 2.179 10 0 BEAERN CCc1cc(C(=O)NC2CCCC2)c(=O)[nH]c1C ZINC000584633814 358317984 /nfs/dbraw/zinc/31/79/84/358317984.db2.gz FIKOELUFNUGAHV-UHFFFAOYSA-N 0 0 248.326 2.330 10 0 BEAERN CN1C(=N)[C@](C)(c2cccc(F)c2)N(C)C1=O ZINC000584634218 358318343 /nfs/dbraw/zinc/31/83/43/358318343.db2.gz DILBHIMWNBVYSZ-LBPRGKRZSA-N 0 0 235.262 2.015 10 0 BEAERN CCO[P@]1(=O)C=COc2ccccc21 ZINC000584635837 358319935 /nfs/dbraw/zinc/31/99/35/358319935.db2.gz CAIHHWQVFNJUJX-CQSZACIVSA-N 0 0 210.169 2.490 10 0 BEAERN CCOc1cc(C)nc(-c2ccccn2)n1 ZINC000584635943 358319974 /nfs/dbraw/zinc/31/99/74/358319974.db2.gz UTHUPZGQFYSTFC-UHFFFAOYSA-N 0 0 215.256 2.246 10 0 BEAERN O=C1CC[C@@H](CF)N1c1ccc(F)cc1 ZINC000584638316 358324092 /nfs/dbraw/zinc/32/40/92/358324092.db2.gz NHIDFPIZUTVNDS-JTQLQIEISA-N 0 0 211.211 2.291 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)NC(C)(C)CO)CC(C)(C)C1 ZINC000180178284 366389612 /nfs/dbraw/zinc/38/96/12/366389612.db2.gz JFRSFAVSKYIOGF-GHMZBOCLSA-N 0 0 241.375 2.336 10 0 BEAERN O=c1[nH]ccc2cc3cc(F)ccc3n21 ZINC000584640190 358326258 /nfs/dbraw/zinc/32/62/58/358326258.db2.gz GVGMYWGRCYGHKP-UHFFFAOYSA-N 0 0 202.188 2.332 10 0 BEAERN Oc1cnc(OCC(F)F)c(Cl)c1 ZINC000584642334 358327893 /nfs/dbraw/zinc/32/78/93/358327893.db2.gz GWDVQVYCUJOVJD-UHFFFAOYSA-N 0 0 209.579 2.085 10 0 BEAERN COc1cccc(-c2ccc(C)[n+]([O-])c2)c1 ZINC000584642166 358327979 /nfs/dbraw/zinc/32/79/79/358327979.db2.gz RZJRQHQJBYRVOQ-UHFFFAOYSA-N 0 0 215.252 2.304 10 0 BEAERN O=C([O-])[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000227467471 358357661 /nfs/dbraw/zinc/35/76/61/358357661.db2.gz BCBGCUBNNDPJAV-OLZOCXBDSA-N 0 0 245.322 2.123 10 0 BEAERN NC(=O)c1ccc(N)c(NCc2cccs2)c1 ZINC000103955711 181297709 /nfs/dbraw/zinc/29/77/09/181297709.db2.gz OPFRJJOEWPUIHP-UHFFFAOYSA-N 0 0 247.323 2.041 10 0 BEAERN CC(C)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126337446 358549077 /nfs/dbraw/zinc/54/90/77/358549077.db2.gz UKZANPPFVLFVKZ-CQSZACIVSA-N 0 0 235.327 2.422 10 0 BEAERN CCCC(=O)NCC(=O)Nc1ccc(C)cc1C ZINC000045884512 358566635 /nfs/dbraw/zinc/56/66/35/358566635.db2.gz BKAFZTBQAUAWAS-UHFFFAOYSA-N 0 0 248.326 2.158 10 0 BEAERN CCOC(=O)[C@H](F)c1cccc(OC)c1 ZINC000086242890 358527547 /nfs/dbraw/zinc/52/75/47/358527547.db2.gz HTHUEGANFKXSPR-SNVBAGLBSA-N 0 0 212.220 2.269 10 0 BEAERN CC(C)c1cc(NC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC000135063844 325391838 /nfs/dbraw/zinc/39/18/38/325391838.db2.gz VGUQPJKKSYNWCT-PSASIEDQSA-N 0 0 237.303 2.039 10 0 BEAERN Cc1ccc(Cl)c2c(N)c(C(=O)[O-])c[nH+]c12 ZINC000047913072 358607239 /nfs/dbraw/zinc/60/72/39/358607239.db2.gz WVUJXIPHYBBALY-UHFFFAOYSA-N 0 0 236.658 2.477 10 0 BEAERN C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000129665144 358592357 /nfs/dbraw/zinc/59/23/57/358592357.db2.gz GCWNIJCJDYMBAJ-SCVCMEIPSA-N 0 0 237.299 2.367 10 0 BEAERN CC(C)CCC(=O)N[C@H]1CCCCC[C@@H]1O ZINC000130883065 358651063 /nfs/dbraw/zinc/65/10/63/358651063.db2.gz ABFNMXUVFVPASR-RYUDHWBXSA-N 0 0 227.348 2.232 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000131025873 358658230 /nfs/dbraw/zinc/65/82/30/358658230.db2.gz AUDLYZNIOXZQSH-NHCYSSNCSA-N 0 0 237.299 2.333 10 0 BEAERN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@@H](C)O1 ZINC000175672207 134286993 /nfs/dbraw/zinc/28/69/93/134286993.db2.gz GABBELPZVPGLLY-GHMZBOCLSA-N 0 0 225.332 2.203 10 0 BEAERN CCC[C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000131129450 358661816 /nfs/dbraw/zinc/66/18/16/358661816.db2.gz HWRFOCXDLWWRJV-MXWKQRLJSA-N 0 0 213.321 2.058 10 0 BEAERN CC[C@H](C)C(=O)NCc1nccn1CC(C)C ZINC000131134176 358662323 /nfs/dbraw/zinc/66/23/23/358662323.db2.gz GVAZAYGYVNSDQO-NSHDSACASA-N 0 0 237.347 2.201 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000049367915 358684327 /nfs/dbraw/zinc/68/43/27/358684327.db2.gz AWVJFMWNNKUFGY-ZJUUUORDSA-N 0 0 225.288 2.190 10 0 BEAERN O=Cc1cn(Cc2ccc(Cl)cc2)cn1 ZINC000213372532 358698252 /nfs/dbraw/zinc/69/82/52/358698252.db2.gz YRFHQGSNPHUTDD-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN CC[C@@H](C)C(=O)Cn1cnc2ccccc2c1=O ZINC000133043527 358744324 /nfs/dbraw/zinc/74/43/24/358744324.db2.gz IAFMMLYZXCPIEG-SNVBAGLBSA-N 0 0 244.294 2.012 10 0 BEAERN C[C@@H](NC(=O)CCC1CCCCC1)[C@H](C)CO ZINC000133398051 358752381 /nfs/dbraw/zinc/75/23/81/358752381.db2.gz RPCNMNLKYLBVKG-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN COc1cc(C)nc(CNCc2cccnc2)c1 ZINC000214048446 358753468 /nfs/dbraw/zinc/75/34/68/358753468.db2.gz HEPMHSCZLGBCCO-UHFFFAOYSA-N 0 0 243.310 2.083 10 0 BEAERN C[C@@H](O)[C@@H](O)c1c(F)c(F)ccc1Cl ZINC000306148712 358755133 /nfs/dbraw/zinc/75/51/33/358755133.db2.gz BEHYVZISLOBUIV-ALFREKQPSA-N 0 0 222.618 2.032 10 0 BEAERN CSCCCCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000133547943 358758579 /nfs/dbraw/zinc/75/85/79/358758579.db2.gz JMILSYZFHVOAKX-QWRGUYRKSA-N 0 0 245.388 2.203 10 0 BEAERN Cc1ccc(O)c(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000133562825 358758625 /nfs/dbraw/zinc/75/86/25/358758625.db2.gz JBFRPPZUOYPAJI-CQSZACIVSA-N 0 0 248.326 2.171 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)Cc2cccc(O)c2)C1 ZINC000134976886 358813375 /nfs/dbraw/zinc/81/33/75/358813375.db2.gz YSQDCXMOPJYTPE-CYBMUJFWSA-N 0 0 247.338 2.439 10 0 BEAERN CN(C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000053398471 358826526 /nfs/dbraw/zinc/82/65/26/358826526.db2.gz DKLIYGUQOQEAHZ-ZDUSSCGKSA-N 0 0 237.343 2.299 10 0 BEAERN COc1cccc(F)c1[C@H](C)[NH2+]CC[C@H](C)O ZINC000135146215 358822238 /nfs/dbraw/zinc/82/22/38/358822238.db2.gz VIAAQOOLMWWWGB-UWVGGRQHSA-N 0 0 241.306 2.256 10 0 BEAERN COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCOC1 ZINC000135148518 358822454 /nfs/dbraw/zinc/82/24/54/358822454.db2.gz HEUNTEZMGIVPCE-UWVGGRQHSA-N 0 0 239.290 2.274 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000134268958 358784907 /nfs/dbraw/zinc/78/49/07/358784907.db2.gz LRKJMZXXLYQNJJ-ONGXEEELSA-N 0 0 244.294 2.075 10 0 BEAERN CN(CC1CCC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134330790 358786775 /nfs/dbraw/zinc/78/67/75/358786775.db2.gz PBJQWUKWCINYMV-NSHDSACASA-N 0 0 247.342 2.088 10 0 BEAERN CCC[C@H](C)C(=O)N1CCC[C@H]1CCCO ZINC000052758122 358791403 /nfs/dbraw/zinc/79/14/03/358791403.db2.gz KKADBXVMVJXVIW-RYUDHWBXSA-N 0 0 227.348 2.186 10 0 BEAERN C[S@@](=O)CCCNc1ccc2ccccc2n1 ZINC000134710478 358803297 /nfs/dbraw/zinc/80/32/97/358803297.db2.gz NBDIFVCQFDLSIW-KRWDZBQOSA-N 0 0 248.351 2.415 10 0 BEAERN COc1cccc(F)c1[C@@H](C)NCc1c[nH]cn1 ZINC000134774613 358805236 /nfs/dbraw/zinc/80/52/36/358805236.db2.gz BAIVKGDFSBJAOJ-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN COc1ccc([C@@H](C)NCc2c[nH]cn2)cc1F ZINC000054764736 358872217 /nfs/dbraw/zinc/87/22/17/358872217.db2.gz ZJIPNBGOYXAFSZ-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN CCCC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135270736 358828613 /nfs/dbraw/zinc/82/86/13/358828613.db2.gz BLIXLPQBPMUHCL-CYBMUJFWSA-N 0 0 249.310 2.092 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)C1CCCC1 ZINC000058726008 358913512 /nfs/dbraw/zinc/91/35/12/358913512.db2.gz AGFLEAQKTYCKGS-GFCCVEGCSA-N 0 0 231.295 2.427 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)C1CCC1 ZINC000058726007 358913717 /nfs/dbraw/zinc/91/37/17/358913717.db2.gz DSUDMPCZCUHMKX-NSHDSACASA-N 0 0 217.268 2.036 10 0 BEAERN CCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000054909169 358878183 /nfs/dbraw/zinc/87/81/83/358878183.db2.gz TYQIYSSDUCZWSJ-QMMMGPOBSA-N 0 0 221.256 2.003 10 0 BEAERN C[C@@H](Nc1csc(Cl)n1)[C@H](C)CO ZINC000306151934 358917728 /nfs/dbraw/zinc/91/77/28/358917728.db2.gz HWUNTKASQWWJKL-PHDIDXHHSA-N 0 0 220.725 2.225 10 0 BEAERN CCC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000056045458 358895015 /nfs/dbraw/zinc/89/50/15/358895015.db2.gz LRMSIBVCQYXWTG-NSHDSACASA-N 0 0 232.327 2.136 10 0 BEAERN Cc1ccc(S[C@@H](C)[C@@H](C)O)cc1N ZINC000300337041 358963244 /nfs/dbraw/zinc/96/32/44/358963244.db2.gz CPZIASKOJFCEFJ-BDAKNGLRSA-N 0 0 211.330 2.439 10 0 BEAERN Cc1cc(N)cc(S[C@@H](C)[C@@H](C)O)c1 ZINC000300338217 358963353 /nfs/dbraw/zinc/96/33/53/358963353.db2.gz HROBWPSTRPIBMB-BDAKNGLRSA-N 0 0 211.330 2.439 10 0 BEAERN COc1ccc([C@@H](O)C(F)(F)F)s1 ZINC000306162957 358972396 /nfs/dbraw/zinc/97/23/96/358972396.db2.gz TXEWVENYEMKQGC-ZCFIWIBFSA-N 0 0 212.192 2.352 10 0 BEAERN CCOc1ccncc1[C@@H]1CCCC1=O ZINC000306193279 359020645 /nfs/dbraw/zinc/02/06/45/359020645.db2.gz UMIUMBNOQXIGMP-VIFPVBQESA-N 0 0 205.257 2.317 10 0 BEAERN Clc1cc(OC[C@H]2CCCO2)nc(Cl)n1 ZINC000306199973 359027319 /nfs/dbraw/zinc/02/73/19/359027319.db2.gz SHRQZFFKBXFYOT-ZCFIWIBFSA-N 0 0 249.097 2.341 10 0 BEAERN O[C@@H]1COC[C@H]1Sc1ccc(Cl)cc1 ZINC000306171224 358980117 /nfs/dbraw/zinc/98/01/17/358980117.db2.gz CRJOSOATKIACBH-NXEZZACHSA-N 0 0 230.716 2.192 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000306174715 358983272 /nfs/dbraw/zinc/98/32/72/358983272.db2.gz BZNCZONABVTDBM-WDSKDSINSA-N 0 0 218.709 2.122 10 0 BEAERN COC(=O)c1occc1CNc1cnccc1C ZINC000071413804 359079507 /nfs/dbraw/zinc/07/95/07/359079507.db2.gz QVHFZCVFFHXCTJ-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)[C@H]1CCCO1 ZINC000246444118 359088961 /nfs/dbraw/zinc/08/89/61/359088961.db2.gz DWGYUVVNEVEWRJ-MROQNXINSA-N 0 0 239.359 2.496 10 0 BEAERN Cc1nccc(N[C@@H]2COc3ccccc32)n1 ZINC000070530197 359058352 /nfs/dbraw/zinc/05/83/52/359058352.db2.gz ZREPLWDFTPDTJF-LLVKDONJSA-N 0 0 227.267 2.331 10 0 BEAERN CCC[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000246666998 359155673 /nfs/dbraw/zinc/15/56/73/359155673.db2.gz LXVPTIALBUMATL-AVGNSLFASA-N 0 0 241.375 2.480 10 0 BEAERN CCC[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000246667005 359156245 /nfs/dbraw/zinc/15/62/45/359156245.db2.gz LXVPTIALBUMATL-RWMBFGLXSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000246676865 359156809 /nfs/dbraw/zinc/15/68/09/359156809.db2.gz GWLRNZNVYOHVNT-NCFRWKGYSA-N 0 0 241.334 2.415 10 0 BEAERN CC[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000246741343 359161470 /nfs/dbraw/zinc/16/14/70/359161470.db2.gz QSOZMTYSAFHANX-KWBADKCTSA-N 0 0 233.311 2.466 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000247520752 359229541 /nfs/dbraw/zinc/22/95/41/359229541.db2.gz WLBIONYAEAAFPX-LPWJVIDDSA-N 0 0 239.359 2.449 10 0 BEAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000247246465 359205042 /nfs/dbraw/zinc/20/50/42/359205042.db2.gz XJHPSRSEHJWPGO-UKKRHICBSA-N 0 0 242.388 2.368 10 0 BEAERN COc1ccc([C@]2(O)CCS[C@@H]2C)s1 ZINC000306204293 359294394 /nfs/dbraw/zinc/29/43/94/359294394.db2.gz NGHAONFJWMUBFJ-XCBNKYQSSA-N 0 0 230.354 2.470 10 0 BEAERN O[C@H](c1ccsn1)[C@@H]1CCCCS1 ZINC000306205813 359294772 /nfs/dbraw/zinc/29/47/72/359294772.db2.gz PBZVRNDDMVWOHA-DTWKUNHWSA-N 0 0 215.343 2.462 10 0 BEAERN O[C@H]1CCCC[C@@H](Cc2csnn2)C1 ZINC000306214407 359316168 /nfs/dbraw/zinc/31/61/68/359316168.db2.gz YSTOITYWMZUCGZ-WPRPVWTQSA-N 0 0 212.318 2.022 10 0 BEAERN CC(=O)c1nc([C@H]2SCCS[C@@H]2C)no1 ZINC000228187983 359361349 /nfs/dbraw/zinc/36/13/49/359361349.db2.gz MSUJHSONMAOHSK-RQJHMYQMSA-N 0 0 244.341 2.182 10 0 BEAERN NC(=S)c1sc(N2CCCC2)nc1Cl ZINC000306231226 359379968 /nfs/dbraw/zinc/37/99/68/359379968.db2.gz DNXVDBAJIKEUKQ-UHFFFAOYSA-N 0 0 247.776 2.031 10 0 BEAERN OCC1(Sc2ncns2)CCCCC1 ZINC000306220693 359345376 /nfs/dbraw/zinc/34/53/76/359345376.db2.gz IDBGQODESUOUJS-UHFFFAOYSA-N 0 0 230.358 2.325 10 0 BEAERN CC[C@H]1CC[C@@](O)(Cc2csnn2)C1 ZINC000306220892 359346487 /nfs/dbraw/zinc/34/64/87/359346487.db2.gz IOEZTDQKAHDVTH-WPRPVWTQSA-N 0 0 212.318 2.022 10 0 BEAERN O=C(CC1CC1)Nc1nc(Cl)ncc1F ZINC000306239653 359408544 /nfs/dbraw/zinc/40/85/44/359408544.db2.gz SIGQKZNTTOZREH-UHFFFAOYSA-N 0 0 229.642 2.008 10 0 BEAERN CCONC(=O)c1c(C)csc1Cl ZINC000306233927 359395620 /nfs/dbraw/zinc/39/56/20/359395620.db2.gz FZRFIHQCPBMKFK-UHFFFAOYSA-N 0 0 219.693 2.391 10 0 BEAERN C[C@@]1(O)CCC[C@@]1(C)Sc1ncc[nH]1 ZINC000306250234 359448166 /nfs/dbraw/zinc/44/81/66/359448166.db2.gz YOUSEIJOQRKWMF-NXEZZACHSA-N 0 0 212.318 2.195 10 0 BEAERN c1ccc2c(c1)C[C@@H](C[NH+]1CCC1)S2 ZINC000306249815 359450165 /nfs/dbraw/zinc/45/01/65/359450165.db2.gz RDYTXTBEVKLURL-NSHDSACASA-N 0 0 205.326 2.409 10 0 BEAERN Cc1nc(Cl)c(C)c(NCCF)n1 ZINC000306252040 359465759 /nfs/dbraw/zinc/46/57/59/359465759.db2.gz ITZJCRLXVNOEOR-UHFFFAOYSA-N 0 0 203.648 2.128 10 0 BEAERN C[C@@H]1CC[C@@H]1Nc1nsnc1Cl ZINC000306273867 359504807 /nfs/dbraw/zinc/50/48/07/359504807.db2.gz AFEXTPZJFPQIKM-UHNVWZDZSA-N 0 0 203.698 2.402 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nc(Cl)c(CO)s1 ZINC000306288894 359523183 /nfs/dbraw/zinc/52/31/83/359523183.db2.gz NDJCKXORNUUPNC-WHFBIAKZSA-N 0 0 218.709 2.109 10 0 BEAERN Clc1noc(-c2cncc(Cl)c2)n1 ZINC000306261444 359482189 /nfs/dbraw/zinc/48/21/89/359482189.db2.gz WUFRFHPRBZYKOT-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN CCOC(=O)c1cc2sccc2n1C ZINC000142449201 359567559 /nfs/dbraw/zinc/56/75/59/359567559.db2.gz AEJXITOKGFWLME-UHFFFAOYSA-N 0 0 209.270 2.417 10 0 BEAERN C[C@@]1(Nc2ncc(Cl)s2)CCOC1 ZINC000306292525 359529541 /nfs/dbraw/zinc/52/95/41/359529541.db2.gz SLELPCQKNQODQE-MRVPVSSYSA-N 0 0 218.709 2.387 10 0 BEAERN C[C@@H](NO)c1cc(O)ccc1Br ZINC000306301558 359580473 /nfs/dbraw/zinc/58/04/73/359580473.db2.gz WWKNQVLVOUMXQW-RXMQYKEDSA-N 0 0 232.077 2.195 10 0 BEAERN FC(F)Cn1cnc(Cl)c1Cl ZINC000306303629 359582993 /nfs/dbraw/zinc/58/29/93/359582993.db2.gz BHVWDWDZCRQREX-UHFFFAOYSA-N 0 0 201.003 2.455 10 0 BEAERN CC(F)(F)[C@H](O)Cc1cccc(F)c1 ZINC000306304770 359587500 /nfs/dbraw/zinc/58/75/00/359587500.db2.gz CDOZIGOJAQAGMN-SECBINFHSA-N 0 0 204.191 2.384 10 0 BEAERN CC(F)(F)[C@@H](O)Cc1cccc(F)c1 ZINC000306304771 359587781 /nfs/dbraw/zinc/58/77/81/359587781.db2.gz CDOZIGOJAQAGMN-VIFPVBQESA-N 0 0 204.191 2.384 10 0 BEAERN Nc1cccc(N2CCCC2=O)c1Cl ZINC000306326884 359608940 /nfs/dbraw/zinc/60/89/40/359608940.db2.gz XGTBDOFQUVWPPV-UHFFFAOYSA-N 0 0 210.664 2.049 10 0 BEAERN C[C@H]([C@@H]1[NH2+][C@H](C(=O)[O-])CCS1)C(C)(C)C ZINC000306321735 359609379 /nfs/dbraw/zinc/60/93/79/359609379.db2.gz UAOCXGRRICWKIC-HRDYMLBCSA-N 0 0 231.361 2.174 10 0 BEAERN C[C@](O)(C[C@H]1CCCC1=O)C(F)(F)F ZINC000306358002 359684235 /nfs/dbraw/zinc/68/42/35/359684235.db2.gz XDLWIJLVWYMHLL-SVRRBLITSA-N 0 0 210.195 2.059 10 0 BEAERN Cc1ncc([C@@H](C)N2CC(F)C2)s1 ZINC000306362521 359695418 /nfs/dbraw/zinc/69/54/18/359695418.db2.gz TVFVEYOKYOTFRK-ZCFIWIBFSA-N 0 0 200.282 2.166 10 0 BEAERN C[C@@H]1CCCN(c2nc(Cl)ns2)C1 ZINC000306362331 359695428 /nfs/dbraw/zinc/69/54/28/359695428.db2.gz SFNJISMKOXFTIZ-ZCFIWIBFSA-N 0 0 217.725 2.428 10 0 BEAERN C[C@H]1CCCN(c2nc(Cl)ns2)C1 ZINC000306362330 359695534 /nfs/dbraw/zinc/69/55/34/359695534.db2.gz SFNJISMKOXFTIZ-LURJTMIESA-N 0 0 217.725 2.428 10 0 BEAERN CO[C@H](c1nc(Cl)n[nH]1)c1ccccc1 ZINC000160995328 359686130 /nfs/dbraw/zinc/68/61/30/359686130.db2.gz SXBQMOPOOUJNDA-QMMMGPOBSA-N 0 0 223.663 2.194 10 0 BEAERN CC(C)c1nnsc1[C@@H](O)C(C)C ZINC000162213647 359710458 /nfs/dbraw/zinc/71/04/58/359710458.db2.gz KMMVSUAYHBFAOO-QMMMGPOBSA-N 0 0 200.307 2.351 10 0 BEAERN Nc1cc(F)c(Cl)cc1NCCF ZINC000306393122 359759752 /nfs/dbraw/zinc/75/97/52/359759752.db2.gz HAARPTXRUVWPOA-UHFFFAOYSA-N 0 0 206.623 2.443 10 0 BEAERN Cc1cc(Br)ccc1N(C)C(N)=O ZINC000306391768 359758085 /nfs/dbraw/zinc/75/80/85/359758085.db2.gz DKCZLSAMVJEBQT-UHFFFAOYSA-N 0 0 243.104 2.272 10 0 BEAERN Nc1cc(F)c(C=O)c(C(F)(F)F)c1 ZINC000306389650 359745836 /nfs/dbraw/zinc/74/58/36/359745836.db2.gz RZZAKDYSMQTXEP-UHFFFAOYSA-N 0 0 207.126 2.239 10 0 BEAERN COc1cc(Br)cc2nc(N)oc21 ZINC000306401432 359784558 /nfs/dbraw/zinc/78/45/58/359784558.db2.gz PVMLBGNCDPXPBZ-UHFFFAOYSA-N 0 0 243.060 2.181 10 0 BEAERN Cc1c[n+]([O-])ccc1NCc1ccccc1 ZINC000306393924 359760605 /nfs/dbraw/zinc/76/06/05/359760605.db2.gz HTCZEBTVRSRECT-UHFFFAOYSA-N 0 0 214.268 2.241 10 0 BEAERN Clc1cc(Cl)nc(-c2cn[nH]c2)n1 ZINC000306414965 359820159 /nfs/dbraw/zinc/82/01/59/359820159.db2.gz YPJJOIOSGIYJCT-UHFFFAOYSA-N 0 0 215.043 2.174 10 0 BEAERN O[C@H](c1ccc[nH]1)c1occc1Br ZINC000306412843 359822499 /nfs/dbraw/zinc/82/24/99/359822499.db2.gz RGRYROISUTZXSU-MRVPVSSYSA-N 0 0 242.072 2.452 10 0 BEAERN Clc1ccn(C[C@H]2CCCCO2)n1 ZINC000306410641 359817103 /nfs/dbraw/zinc/81/71/03/359817103.db2.gz NDPBOWCSQHSWGT-MRVPVSSYSA-N 0 0 200.669 2.106 10 0 BEAERN Cc1cccc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000309099582 491144833 /nfs/dbraw/zinc/14/48/33/491144833.db2.gz GEDXPLHJOOLPRG-QWRGUYRKSA-N 0 0 206.289 2.105 10 0 BEAERN Cn1ncc(C(=O)C2CCC2)c1Br ZINC000306415658 359828786 /nfs/dbraw/zinc/82/87/86/359828786.db2.gz QIBCAAGVFBKCTM-UHFFFAOYSA-N 0 0 243.104 2.165 10 0 BEAERN Brc1ccn(Cc2ccncc2)n1 ZINC000306415588 359828889 /nfs/dbraw/zinc/82/88/89/359828889.db2.gz PYIXCAZNAUFEIC-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN COCC1(Nc2ccnc(F)c2)CCC1 ZINC000306420581 359838999 /nfs/dbraw/zinc/83/89/99/359838999.db2.gz GDVBHVTVTHHOSP-UHFFFAOYSA-N 0 0 210.252 2.202 10 0 BEAERN O=c1sc(Cl)nn1CC=C1CCC1 ZINC000306424506 359865525 /nfs/dbraw/zinc/86/55/25/359865525.db2.gz ILALVQVYYCBGIG-UHFFFAOYSA-N 0 0 216.693 2.069 10 0 BEAERN Cc1cc(C(=O)[C@H]2CCSC2)sn1 ZINC000306424157 359865643 /nfs/dbraw/zinc/86/56/43/359865643.db2.gz FXOZAYYQJCSDGA-ZETCQYMHSA-N 0 0 213.327 2.387 10 0 BEAERN Nc1ccc(Cl)nc1N[C@@H]1CCSC1 ZINC000231344106 359858511 /nfs/dbraw/zinc/85/85/11/359858511.db2.gz FNIFIOCLOVGNKZ-ZCFIWIBFSA-N 0 0 229.736 2.235 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cccs1 ZINC000246039057 325539135 /nfs/dbraw/zinc/53/91/35/325539135.db2.gz OUCVSGFAVMBUPY-BBBLOLIVSA-N 0 0 239.340 2.493 10 0 BEAERN C[C@H]1CC[N@H+](CC(=O)c2ccccc2)C1 ZINC000040718970 359914599 /nfs/dbraw/zinc/91/45/99/359914599.db2.gz YMNOHEURXLUYCY-NSHDSACASA-N 0 0 203.285 2.211 10 0 BEAERN C[C@@H](Nc1ccncc1F)[C@H]1CCCO1 ZINC000309159183 491145742 /nfs/dbraw/zinc/14/57/42/491145742.db2.gz YEQDFVHQGQWOQH-LDYMZIIASA-N 0 0 210.252 2.200 10 0 BEAERN Cc1ccc(NC(N)=O)c(F)c1Cl ZINC000306435099 359931867 /nfs/dbraw/zinc/93/18/67/359931867.db2.gz KYAGRPPVHZDPFI-UHFFFAOYSA-N 0 0 202.616 2.278 10 0 BEAERN C[C@H]1C[C@H]([NH3+])c2c1c(F)ccc2C(=O)[O-] ZINC000536960498 360014257 /nfs/dbraw/zinc/01/42/57/360014257.db2.gz PVEJLBFTXRTXBA-XNCJUZBTSA-N 0 0 209.220 2.031 10 0 BEAERN C[C@@H]1C[C@@H]([NH3+])c2c1c(F)ccc2C(=O)[O-] ZINC000536960494 360014398 /nfs/dbraw/zinc/01/43/98/360014398.db2.gz PVEJLBFTXRTXBA-SVGQVSJJSA-N 0 0 209.220 2.031 10 0 BEAERN C[C@H]1CN(C2=NC(=O)CS2)CC[C@@H]1C ZINC000306449884 360019011 /nfs/dbraw/zinc/01/90/11/360019011.db2.gz YMWCTIXHKYLMDK-YUMQZZPRSA-N 0 0 212.318 2.331 10 0 BEAERN Ic1cccc([C@H]2CO2)c1 ZINC000306453773 360040623 /nfs/dbraw/zinc/04/06/23/360040623.db2.gz YRWZARKJYRWLQH-MRVPVSSYSA-N 0 0 246.047 2.363 10 0 BEAERN Cc1nc(-c2nsc(Br)n2)co1 ZINC000306453631 360044750 /nfs/dbraw/zinc/04/47/50/360044750.db2.gz XRTBOMZQWJNHSD-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN Nc1ccc(Br)cc1NCCF ZINC000306455840 360046019 /nfs/dbraw/zinc/04/60/19/360046019.db2.gz PODGRERDJSPMDB-UHFFFAOYSA-N 0 0 233.084 2.413 10 0 BEAERN CCCC[C@H](CC)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089163283 359996847 /nfs/dbraw/zinc/99/68/47/359996847.db2.gz JXRZJYWMXIZJPH-AVGNSLFASA-N 0 0 241.375 2.480 10 0 BEAERN CC1CN(C(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000306461609 360071290 /nfs/dbraw/zinc/07/12/90/360071290.db2.gz GCKJYSYKISAFTG-QMMMGPOBSA-N 0 0 222.115 2.049 10 0 BEAERN C[C@H]1OCCN(CC(Cl)(Cl)Cl)[C@@H]1C ZINC000306462312 360074190 /nfs/dbraw/zinc/07/41/90/360074190.db2.gz GWTYNBXKKXUJIC-RNFRBKRXSA-N 0 0 246.565 2.466 10 0 BEAERN C[C@@H]1C[C@@](O)(C(F)(F)Br)[C@H]1C ZINC000306463202 360074873 /nfs/dbraw/zinc/07/48/73/360074873.db2.gz LCVIASHOVDWPDW-SRQIZXRXSA-N 0 0 229.064 2.381 10 0 BEAERN CC(C)[C@@H](O)[C@H](O)c1ccsc1Cl ZINC000306463143 360075051 /nfs/dbraw/zinc/07/50/51/360075051.db2.gz IBTZQWNFZBLSTE-HTQZYQBOSA-N 0 0 220.721 2.452 10 0 BEAERN O=C([O-])[C@@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000306467273 360080501 /nfs/dbraw/zinc/08/05/01/360080501.db2.gz MBBYCUXFIPWSQX-JTQLQIEISA-N 0 0 245.731 2.151 10 0 BEAERN Cc1oncc1[C@H](C)[NH2+][C@H]1CCSC1 ZINC000306476098 360110525 /nfs/dbraw/zinc/11/05/25/360110525.db2.gz XPFYGTRLNZHICX-CBAPKCEASA-N 0 0 212.318 2.139 10 0 BEAERN Brc1ncccc1-c1cncnc1 ZINC000237978521 360217066 /nfs/dbraw/zinc/21/70/66/360217066.db2.gz MGFSTZMAQKBMTA-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN NC(=O)c1cc(C(F)F)cc(F)c1F ZINC000306515496 360342299 /nfs/dbraw/zinc/34/22/99/360342299.db2.gz DKVBHSGZLWTQOJ-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN CC[C@@H](CNOCc1ccccc1)OC ZINC000306519397 360343312 /nfs/dbraw/zinc/34/33/12/360343312.db2.gz IRRFQJGDDKTZTA-LBPRGKRZSA-N 0 0 209.289 2.133 10 0 BEAERN Brc1ncnc(-c2cccs2)n1 ZINC000237982823 360314167 /nfs/dbraw/zinc/31/41/67/360314167.db2.gz GLKRBEASXYWEFP-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN c1coc([C@@H](NC2COC2)c2ccccc2)c1 ZINC000094709948 360316308 /nfs/dbraw/zinc/31/63/08/360316308.db2.gz SSZCFEDKDLYSIN-AWEZNQCLSA-N 0 0 229.279 2.357 10 0 BEAERN OC1CCC(Nc2ncnc3c2CCCC3)CC1 ZINC000094727804 360316343 /nfs/dbraw/zinc/31/63/43/360316343.db2.gz WQXSMYCGNQLIPI-UHFFFAOYSA-N 0 0 247.342 2.071 10 0 BEAERN Nc1cc(-c2coc(Br)c2)no1 ZINC000306523389 360360235 /nfs/dbraw/zinc/36/02/35/360360235.db2.gz NNZMFRZAQJJCDN-UHFFFAOYSA-N 0 0 229.033 2.279 10 0 BEAERN COCCc1c(C)nc2scc(C)n12 ZINC000306523680 360360440 /nfs/dbraw/zinc/36/04/40/360360440.db2.gz UMOAWUXZFIDFSK-UHFFFAOYSA-N 0 0 210.302 2.202 10 0 BEAERN Nc1cccc(Cl)c1CN1CC=CC1 ZINC000306524717 360369526 /nfs/dbraw/zinc/36/95/26/360369526.db2.gz ZSXGNILFDHCJSU-UHFFFAOYSA-N 0 0 208.692 2.294 10 0 BEAERN CC(=O)c1c(F)cccc1N1CC=CC1 ZINC000306533371 360394489 /nfs/dbraw/zinc/39/44/89/360394489.db2.gz HOOBWMXJEZMYQQ-UHFFFAOYSA-N 0 0 205.232 2.405 10 0 BEAERN CSC[C@H](O)c1c(F)cccc1F ZINC000069758985 360395652 /nfs/dbraw/zinc/39/56/52/360395652.db2.gz NQAPDXCSFNDADQ-QMMMGPOBSA-N 0 0 204.241 2.361 10 0 BEAERN COC(=O)c1cscc1[C@H]1CCCO1 ZINC000306534462 360396832 /nfs/dbraw/zinc/39/68/32/360396832.db2.gz DSHPJIKXFBTHSQ-SECBINFHSA-N 0 0 212.270 2.386 10 0 BEAERN Cc1ncc(CNc2ccnc(Cl)n2)o1 ZINC000306564561 360443020 /nfs/dbraw/zinc/44/30/20/360443020.db2.gz DWESJPJOFBPVAG-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1nc(C(=O)[C@H]2OCC[C@@H]2C)cs1 ZINC000306566697 360446608 /nfs/dbraw/zinc/44/66/08/360446608.db2.gz YTVNYNJCMPYRIZ-WKEGUHRASA-N 0 0 211.286 2.059 10 0 BEAERN Cc1cc([C@H](O)c2ccc(C)o2)sn1 ZINC000306566806 360447254 /nfs/dbraw/zinc/44/72/54/360447254.db2.gz ZAQGHVKFHQZHNH-SNVBAGLBSA-N 0 0 209.270 2.435 10 0 BEAERN C[C@@H]1CSCCN1c1ccc(C=O)cc1 ZINC000069761082 360409342 /nfs/dbraw/zinc/40/93/42/360409342.db2.gz XREXHHWEFWQZCJ-SNVBAGLBSA-N 0 0 221.325 2.441 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c(C)c1 ZINC000614147731 363734471 /nfs/dbraw/zinc/73/44/71/363734471.db2.gz ZFXWEORYBJWXPC-CHWSQXEVSA-N 0 0 247.338 2.337 10 0 BEAERN COc1cc([C@H]2CCCCC2=O)sn1 ZINC000306543137 360411604 /nfs/dbraw/zinc/41/16/04/360411604.db2.gz ROZFSWKUCSDBFE-ZETCQYMHSA-N 0 0 211.286 2.378 10 0 BEAERN COc1cc([C@]2(O)CCC[C@@H]2C)sn1 ZINC000306546359 360415988 /nfs/dbraw/zinc/41/59/88/360415988.db2.gz WPSRGUVGSXLZEN-XVKPBYJWSA-N 0 0 213.302 2.159 10 0 BEAERN Cc1noc2nc(C(C)C)cc(CO)c12 ZINC000400567023 360417447 /nfs/dbraw/zinc/41/74/47/360417447.db2.gz OOURMVKOGWLIHE-UHFFFAOYSA-N 0 0 206.245 2.147 10 0 BEAERN CCC1(Nc2nc(N)ncc2Cl)CC1 ZINC000306552703 360425594 /nfs/dbraw/zinc/42/55/94/360425594.db2.gz AWRGUQGTSJNSLU-UHFFFAOYSA-N 0 0 212.684 2.067 10 0 BEAERN C[C@@H]1CCN(c2ccc(C=O)cn2)[C@H]1C ZINC000306553959 360426152 /nfs/dbraw/zinc/42/61/52/360426152.db2.gz LBNCIUQPLRBZJC-ZJUUUORDSA-N 0 0 204.273 2.129 10 0 BEAERN Cc1c(N[C@H](C)C(F)(F)F)cnn1C ZINC000306553119 360426177 /nfs/dbraw/zinc/42/61/77/360426177.db2.gz KRKSUXBWTFCRCA-ZCFIWIBFSA-N 0 0 207.199 2.091 10 0 BEAERN C[C@H]1CCC(=O)N1Cc1ccc(Cl)nc1 ZINC000306555283 360428863 /nfs/dbraw/zinc/42/88/63/360428863.db2.gz BUKRCPSPEKCJHT-QMMMGPOBSA-N 0 0 224.691 2.246 10 0 BEAERN C[C@@H]1CCC(=O)N1Cc1ccc(Cl)nc1 ZINC000306555282 360428883 /nfs/dbraw/zinc/42/88/83/360428883.db2.gz BUKRCPSPEKCJHT-MRVPVSSYSA-N 0 0 224.691 2.246 10 0 BEAERN COc1nccc(C(=O)[C@@H]2C[C@H]2C)c1F ZINC000306556083 360430192 /nfs/dbraw/zinc/43/01/92/360430192.db2.gz MIAXGXRXRUHEIL-HTRCEHHLSA-N 0 0 209.220 2.068 10 0 BEAERN CCc1nc(CNc2csnn2)cs1 ZINC000306558389 360432889 /nfs/dbraw/zinc/43/28/89/360432889.db2.gz KERNDFJINGLMSX-UHFFFAOYSA-N 0 0 226.330 2.169 10 0 BEAERN Cc1ccnc(N[C@H](C)C(C)(F)F)n1 ZINC000306558698 360433280 /nfs/dbraw/zinc/43/32/80/360433280.db2.gz POAALGGVGPTICZ-SSDOTTSWSA-N 0 0 201.220 2.241 10 0 BEAERN CO[C@H](C)C(=O)c1cc(F)c(F)c(F)c1 ZINC000306559142 360434029 /nfs/dbraw/zinc/43/40/29/360434029.db2.gz QFBQDJRRQIKPQK-RXMQYKEDSA-N 0 0 218.174 2.322 10 0 BEAERN O[C@@H](C[C@H]1CCOC1)c1sccc1F ZINC000306560100 360434816 /nfs/dbraw/zinc/43/48/16/360434816.db2.gz AZQIQEQLKBWCEF-APPZFPTMSA-N 0 0 216.277 2.347 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CSC[C@@H]1C ZINC000306581169 360478573 /nfs/dbraw/zinc/47/85/73/360478573.db2.gz OKLBUPLWRDVDOD-CAHLUQPWSA-N 0 0 217.725 2.164 10 0 BEAERN Cc1csc(N[C@H](C)c2ncon2)n1 ZINC000306582298 360481388 /nfs/dbraw/zinc/48/13/88/360481388.db2.gz PCLXQCKTAINYRP-ZCFIWIBFSA-N 0 0 210.262 2.008 10 0 BEAERN CS[C@H]1CC[C@H]1Nc1ncc(C)cn1 ZINC000306584876 360484906 /nfs/dbraw/zinc/48/49/06/360484906.db2.gz GVKRYICVOMDGHE-BDAKNGLRSA-N 0 0 209.318 2.091 10 0 BEAERN O=c1cc(Cl)cc(Br)[nH]1 ZINC000306585187 360485720 /nfs/dbraw/zinc/48/57/20/360485720.db2.gz HIECVXAHTDCQNE-UHFFFAOYSA-N 0 0 208.442 2.203 10 0 BEAERN C[C@H](O)C(=O)c1cscc1C(F)(F)F ZINC000306587358 360491174 /nfs/dbraw/zinc/49/11/74/360491174.db2.gz SEBVBZCJTQGOGL-BYPYZUCNSA-N 0 0 224.203 2.330 10 0 BEAERN CCC1N=NC(=S)N1[C@H]1CS[C@@H](C)C1 ZINC000306571522 360457839 /nfs/dbraw/zinc/45/78/39/360457839.db2.gz HANLADDBGBNASM-NKWVEPMBSA-N 0 0 229.374 2.196 10 0 BEAERN CSCc1ccccc1C1(O)CSC1 ZINC000306574398 360463085 /nfs/dbraw/zinc/46/30/85/360463085.db2.gz ISQWHHSJTHNWPW-UHFFFAOYSA-N 0 0 226.366 2.484 10 0 BEAERN C[C@@H]1CSC[C@@H]1Nc1nc(Cl)ncc1F ZINC000306578158 360468078 /nfs/dbraw/zinc/46/80/78/360468078.db2.gz LVZNIEQIDGXTQF-VDTYLAMSSA-N 0 0 247.726 2.433 10 0 BEAERN C[C@@H]1C[C@H](Nc2ncc(N)s2)CS1 ZINC000306578678 360468682 /nfs/dbraw/zinc/46/86/82/360468682.db2.gz MJFJQYKKSGNDKF-RITPCOANSA-N 0 0 215.347 2.031 10 0 BEAERN CC(C)n1nccc1[C@H]1N[C@H](C)CS1 ZINC000306600777 360527474 /nfs/dbraw/zinc/52/74/74/360527474.db2.gz UIMASNWQFCEQFD-SCZZXKLOSA-N 0 0 211.334 2.188 10 0 BEAERN O=Cc1noc2cc(Br)ccc12 ZINC000238022804 360534397 /nfs/dbraw/zinc/53/43/97/360534397.db2.gz SZJFHIHJWQBAIW-UHFFFAOYSA-N 0 0 226.029 2.403 10 0 BEAERN Nc1cc(Cl)cnc1-c1ccns1 ZINC000306592111 360509937 /nfs/dbraw/zinc/50/99/37/360509937.db2.gz WAZVGQCMEAWSOS-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@@](O)(CO)c1c(Cl)cccc1Cl ZINC000306593322 360513829 /nfs/dbraw/zinc/51/38/29/360513829.db2.gz WXYHOVDNLLHWBB-SECBINFHSA-N 0 0 221.083 2.193 10 0 BEAERN CCC1(Nc2nc(Cl)ncc2N)CC1 ZINC000306598490 360518816 /nfs/dbraw/zinc/51/88/16/360518816.db2.gz PTEGWEHZUFCZST-UHFFFAOYSA-N 0 0 212.684 2.067 10 0 BEAERN COc1cc(C(C)=O)c(Br)cc1O ZINC000169481351 360552999 /nfs/dbraw/zinc/55/29/99/360552999.db2.gz CNWGXGYCTUWGJF-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CCC[C@H](CCO)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000633829499 360542349 /nfs/dbraw/zinc/54/23/49/360542349.db2.gz DZHMMABJVLSXQC-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN CCc1cc(CC)c2ccc(N)nc2n1 ZINC000141545242 360645923 /nfs/dbraw/zinc/64/59/23/360645923.db2.gz QCEAQRJABCXQRI-UHFFFAOYSA-N 0 0 201.273 2.337 10 0 BEAERN Oc1ccc(Sc2ccncn2)cc1 ZINC000040863600 360627454 /nfs/dbraw/zinc/62/74/54/360627454.db2.gz DHMGUGDNPSELEL-UHFFFAOYSA-N 0 0 204.254 2.333 10 0 BEAERN NC(=O)c1cccc(N[C@H]2CCCSC2)c1 ZINC000061571708 181304603 /nfs/dbraw/zinc/30/46/03/181304603.db2.gz HECWHZPFKAEKLH-NSHDSACASA-N 0 0 236.340 2.093 10 0 BEAERN NC(=O)c1cccc(Oc2ccc(F)cc2N)c1 ZINC000019869299 181305568 /nfs/dbraw/zinc/30/55/68/181305568.db2.gz VMTVUJQWFUDZSD-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN CC(C)c1nccc(N[C@H]2CCO[C@H]2C)n1 ZINC000153224874 360765184 /nfs/dbraw/zinc/76/51/84/360765184.db2.gz OQKQDSBBAOTJGI-UWVGGRQHSA-N 0 0 221.304 2.189 10 0 BEAERN CC(Cl)(Cl)C(=O)NCC1(F)CCC1 ZINC000306611865 360852555 /nfs/dbraw/zinc/85/25/55/360852555.db2.gz HHNJPTYDNGKBKA-UHFFFAOYSA-N 0 0 228.094 2.189 10 0 BEAERN CC[C@@H](C)n1nc(C)c(CO)c1Cl ZINC000040931377 360853829 /nfs/dbraw/zinc/85/38/29/360853829.db2.gz BYPHMPLPVVNTQF-ZCFIWIBFSA-N 0 0 202.685 2.308 10 0 BEAERN NC(=S)COc1ccc(C(F)(F)F)cc1 ZINC000034973289 181316328 /nfs/dbraw/zinc/31/63/28/181316328.db2.gz PGHISAZTENDHEY-UHFFFAOYSA-N 0 0 235.230 2.370 10 0 BEAERN COC(=O)c1nc(C(F)(F)F)ccc1C ZINC000238343544 360908098 /nfs/dbraw/zinc/90/80/98/360908098.db2.gz RMYDGRRORQHGAV-UHFFFAOYSA-N 0 0 219.162 2.195 10 0 BEAERN NC(=S)Cc1cccc(Br)c1 ZINC000019269266 181317288 /nfs/dbraw/zinc/31/72/88/181317288.db2.gz KQKCUCUCIFQMLD-UHFFFAOYSA-N 0 0 230.130 2.278 10 0 BEAERN NC(=S)c1cc2cc(Cl)ccc2[nH]1 ZINC000083346410 181320741 /nfs/dbraw/zinc/32/07/41/181320741.db2.gz QXTASBWKFAIDDG-UHFFFAOYSA-N 0 0 210.689 2.456 10 0 BEAERN COc1cnc(C)cc1OC(F)(F)F ZINC000238402349 360995373 /nfs/dbraw/zinc/99/53/73/360995373.db2.gz UWRSBYZXQCSRTA-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1cc(OC(F)(F)F)c(C)cn1 ZINC000238400883 360996790 /nfs/dbraw/zinc/99/67/90/360996790.db2.gz YFETYXMAMUCVRA-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1cc(CO)cc(OC(F)(F)F)c1 ZINC000238408333 360996806 /nfs/dbraw/zinc/99/68/06/360996806.db2.gz UTNSGYHPEBNQCN-UHFFFAOYSA-N 0 0 222.162 2.086 10 0 BEAERN C[C@H]1CC(=O)c2c(F)ccc(F)c2[S@]1=O ZINC000040973365 360983809 /nfs/dbraw/zinc/98/38/09/360983809.db2.gz CZDLLWJRTLAPGV-AANKLQPISA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cccc2c1[S@](=O)[C@@H](C)CC2=O ZINC000040973386 360983851 /nfs/dbraw/zinc/98/38/51/360983851.db2.gz IIRGZLJESHIRMI-RTHLEPHNSA-N 0 0 208.282 2.078 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)[C@H](C)C[S@]2=O ZINC000040973044 360983962 /nfs/dbraw/zinc/98/39/62/360983962.db2.gz KEZATLBMROIEFL-PSLIRLAXSA-N 0 0 222.309 2.243 10 0 BEAERN O=C1CCC[S@@](=O)c2c(F)ccc(F)c21 ZINC000040973348 360984235 /nfs/dbraw/zinc/98/42/35/360984235.db2.gz DNLNHJHYOQSBDU-HNNXBMFYSA-N 0 0 230.235 2.049 10 0 BEAERN COc1ccnc(C)c1I ZINC000238383444 360988454 /nfs/dbraw/zinc/98/84/54/360988454.db2.gz LBIJWTPPVXMUBX-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN NC(=S)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000019440906 181321003 /nfs/dbraw/zinc/32/10/03/181321003.db2.gz JNQSFWSELRRAIE-UHFFFAOYSA-N 0 0 248.351 2.450 10 0 BEAERN NC(=S)c1ccccc1COCC(F)(F)F ZINC000019489042 181321816 /nfs/dbraw/zinc/32/18/16/181321816.db2.gz HGFADDPUTUHADH-UHFFFAOYSA-N 0 0 249.257 2.400 10 0 BEAERN NC(=S)c1ccccc1Nc1cccnc1 ZINC000020075827 181322171 /nfs/dbraw/zinc/32/21/71/181322171.db2.gz RUENNSHYSRQLDT-UHFFFAOYSA-N 0 0 229.308 2.459 10 0 BEAERN NC(=S)c1ncccc1COc1ccccc1 ZINC000061663819 181323138 /nfs/dbraw/zinc/32/31/38/181323138.db2.gz CUBDMTKXCIXGFG-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN CCC[C@H]([NH2+]CC1CC(C)(C)C1)C(=O)[O-] ZINC000629488352 361092624 /nfs/dbraw/zinc/09/26/24/361092624.db2.gz KZKKDZCTTUJIDZ-JTQLQIEISA-N 0 0 213.321 2.266 10 0 BEAERN CCOC(=O)c1c(C)ccc(OC)c1OC ZINC000036426903 361132461 /nfs/dbraw/zinc/13/24/61/361132461.db2.gz BPHMRGHPFDJBDL-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN O=Cc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238527105 361139564 /nfs/dbraw/zinc/13/95/64/361139564.db2.gz ZJNBWKYKGNLLIQ-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Clc1cnc2[nH]cc(Br)c2n1 ZINC000238558308 361150309 /nfs/dbraw/zinc/15/03/09/361150309.db2.gz NUOGOLPRLMQFBU-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN Nc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238590412 361158355 /nfs/dbraw/zinc/15/83/55/361158355.db2.gz ATVLFVKXSIDPDE-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Cc1cnc(N)c(C(=O)c2ccsc2)c1 ZINC000069942899 361174372 /nfs/dbraw/zinc/17/43/72/361174372.db2.gz KRCPEUDRWYVDDT-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN CC(C)(C)[C@H](O)c1cc(Cl)cnc1N ZINC000069943405 361174479 /nfs/dbraw/zinc/17/44/79/361174479.db2.gz VUEVWZOEBUKRDO-MRVPVSSYSA-N 0 0 214.696 2.397 10 0 BEAERN Nc1ncc(Cl)cc1C(=O)c1ccoc1 ZINC000069946187 361178217 /nfs/dbraw/zinc/17/82/17/361178217.db2.gz AZSNLZZAMWBIHC-UHFFFAOYSA-N 0 0 222.631 2.141 10 0 BEAERN Nc1ncc(OC(F)(F)F)cc1Cl ZINC000238696245 361180005 /nfs/dbraw/zinc/18/00/05/361180005.db2.gz CIIZBOVPOJPLEM-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN CCOc1ccc(-c2cnc(=O)[nH]c2)c(C)c1 ZINC000065344718 361393605 /nfs/dbraw/zinc/39/36/05/361393605.db2.gz CMTMWMRDHGBUIS-UHFFFAOYSA-N 0 0 230.267 2.144 10 0 BEAERN Nc1ccc(C(=O)[C@H]2CCOC2)cc1Cl ZINC000070042052 361383156 /nfs/dbraw/zinc/38/31/56/361383156.db2.gz UGXPWTCMVQDQHH-QMMMGPOBSA-N 0 0 225.675 2.141 10 0 BEAERN O=S(=O)(CC(F)(F)F)c1ccccc1F ZINC000070234618 361494585 /nfs/dbraw/zinc/49/45/85/361494585.db2.gz OSWNSBLNUUZPGA-UHFFFAOYSA-N 0 0 242.193 2.162 10 0 BEAERN C[C@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000036810284 361514571 /nfs/dbraw/zinc/51/45/71/361514571.db2.gz ZDMPFTKSZIQVIC-GRYCIOLGSA-N 0 0 225.332 2.219 10 0 BEAERN C[C@@H]1Cc2ccc(Br)cc2C(=O)N1 ZINC000070587852 361575774 /nfs/dbraw/zinc/57/57/74/361575774.db2.gz MMMPAIFYFDHMNV-ZCFIWIBFSA-N 0 0 240.100 2.124 10 0 BEAERN C[C@H]1Cc2ccc(Br)cc2C(=O)N1 ZINC000070587853 361575805 /nfs/dbraw/zinc/57/58/05/361575805.db2.gz MMMPAIFYFDHMNV-LURJTMIESA-N 0 0 240.100 2.124 10 0 BEAERN Brc1cccnc1SC[C@@H]1CO1 ZINC000070615030 361629507 /nfs/dbraw/zinc/62/95/07/361629507.db2.gz XVWQDJJUANNMBJ-LURJTMIESA-N 0 0 246.129 2.335 10 0 BEAERN CC[C@H]1CN(c2ccc(C=O)s2)CCO1 ZINC000070609256 361613080 /nfs/dbraw/zinc/61/30/80/361613080.db2.gz XATIYRJEVSZSHT-VIFPVBQESA-N 0 0 225.313 2.176 10 0 BEAERN C=CC(=O)N(Cc1cccnc1)C(C)C ZINC000037833681 363897630 /nfs/dbraw/zinc/89/76/30/363897630.db2.gz CBRRDFOONQCYRL-UHFFFAOYSA-N 0 0 204.273 2.005 10 0 BEAERN O=C1NCCCC12CCC(F)(F)CC2 ZINC000307076930 541315034 /nfs/dbraw/zinc/31/50/34/541315034.db2.gz DAWYJZPCIJNBQG-UHFFFAOYSA-N 0 0 203.232 2.092 10 0 BEAERN O=C(C1CCC1)[C@H]1CSCCS1 ZINC000161300611 363996401 /nfs/dbraw/zinc/99/64/01/363996401.db2.gz KSGZAZHONVHDPU-MRVPVSSYSA-N 0 0 202.344 2.204 10 0 BEAERN CCO[C@@H](C)C(=O)N[C@H](CC)c1nccs1 ZINC000130677359 364024122 /nfs/dbraw/zinc/02/41/22/364024122.db2.gz CUNHMCMSDJPSDZ-DTWKUNHWSA-N 0 0 242.344 2.135 10 0 BEAERN C[C@@H]1CCc2nc(Cl)cc(CO)c2C1 ZINC000725260221 541334326 /nfs/dbraw/zinc/33/43/26/541334326.db2.gz OYDBYHQUMDIRLA-SSDOTTSWSA-N 0 0 211.692 2.352 10 0 BEAERN C[C@H]1CCc2nc(Cl)cc(CO)c2C1 ZINC000725260222 541334573 /nfs/dbraw/zinc/33/45/73/541334573.db2.gz OYDBYHQUMDIRLA-ZETCQYMHSA-N 0 0 211.692 2.352 10 0 BEAERN CCC[C@H](C)C(=O)NCC[C@H]1CCCC[C@@H]1O ZINC000725263905 541337012 /nfs/dbraw/zinc/33/70/12/541337012.db2.gz ARNRLVFMHPXSCO-XQQFMLRXSA-N 0 0 241.375 2.480 10 0 BEAERN O=C(CCSCCCO)c1ccccc1 ZINC000130803517 364154184 /nfs/dbraw/zinc/15/41/84/364154184.db2.gz QKNOCGSRWKBFQX-UHFFFAOYSA-N 0 0 224.325 2.375 10 0 BEAERN Cc1cccc([C@H](C[NH3+])C(=O)OC(C)(C)C)c1 ZINC000725264367 541337614 /nfs/dbraw/zinc/33/76/14/541337614.db2.gz IZYHMOXBDMRFMP-LBPRGKRZSA-N 0 0 235.327 2.379 10 0 BEAERN CCOC(=O)C(C(=O)OCC)=C(Cl)CC ZINC000115968447 370717668 /nfs/dbraw/zinc/71/76/68/370717668.db2.gz PMYPXBCTSBRYQV-UHFFFAOYSA-N 0 0 234.679 2.016 10 0 BEAERN NCC(F)(F)c1c[nH]c2ccc(F)cc21 ZINC000097758228 181356864 /nfs/dbraw/zinc/35/68/64/181356864.db2.gz WGGUROFGJIRADZ-UHFFFAOYSA-N 0 0 214.190 2.358 10 0 BEAERN C[C@H](C#N)c1cncc(Br)c1 ZINC000116369121 370765155 /nfs/dbraw/zinc/76/51/55/370765155.db2.gz ZEEVRULGGYINQA-ZCFIWIBFSA-N 0 0 211.062 2.471 10 0 BEAERN C[C@@H](C#N)c1cncc(Br)c1 ZINC000116369118 370765197 /nfs/dbraw/zinc/76/51/97/370765197.db2.gz ZEEVRULGGYINQA-LURJTMIESA-N 0 0 211.062 2.471 10 0 BEAERN Cc1cscc1N[C@H]1CCCS(=O)(=O)C1 ZINC000134326863 364400304 /nfs/dbraw/zinc/40/03/04/364400304.db2.gz WKOSOHCIJINXOB-VIFPVBQESA-N 0 0 245.369 2.046 10 0 BEAERN O=C1c2ccccc2N[C@]12CCCCO2 ZINC000136565037 364472426 /nfs/dbraw/zinc/47/24/26/364472426.db2.gz NFGJNRZHCMSBFE-LBPRGKRZSA-N 0 0 203.241 2.192 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246744113 364608992 /nfs/dbraw/zinc/60/89/92/364608992.db2.gz VCJCMVRSRIOUPY-LPWJVIDDSA-N 0 0 239.359 2.449 10 0 BEAERN CCOC(=O)c1cc2cc(F)ccc2c(=O)[nH]1 ZINC000260426042 541385959 /nfs/dbraw/zinc/38/59/59/541385959.db2.gz PSBHFKVKXXPHDY-UHFFFAOYSA-N 0 0 235.214 2.256 10 0 BEAERN CC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000059241250 541390388 /nfs/dbraw/zinc/39/03/88/541390388.db2.gz PINFUIRUFBDUKW-UWVGGRQHSA-N 0 0 227.304 2.269 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC21CCCCC1 ZINC000669384165 541437452 /nfs/dbraw/zinc/43/74/52/541437452.db2.gz PHEBNYFCXSTNCE-WCQYABFASA-N 0 0 224.300 2.431 10 0 BEAERN COc1cncc(-c2cc(C)nc(N)c2)c1 ZINC000669385015 541438359 /nfs/dbraw/zinc/43/83/59/541438359.db2.gz SOHCTNLWRVWKJS-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ncccc1C(F)(F)F ZINC000092395031 325708845 /nfs/dbraw/zinc/70/88/45/325708845.db2.gz MQUVVRMKIOOHFK-POYBYMJQSA-N 0 0 244.216 2.239 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000171468846 365074716 /nfs/dbraw/zinc/07/47/16/365074716.db2.gz QVDLPWKJZAZYES-SECBINFHSA-N 0 0 232.283 2.389 10 0 BEAERN Cc1occc1C(=O)N1CCS[C@@H](C)C1 ZINC000171578500 365218571 /nfs/dbraw/zinc/21/85/71/365218571.db2.gz IERONMRGSBLARD-QMMMGPOBSA-N 0 0 225.313 2.166 10 0 BEAERN CC(C)[C@H](C)CNC(=O)N1CCS[C@@H](C)C1 ZINC000172506803 365333581 /nfs/dbraw/zinc/33/35/81/365333581.db2.gz QYGMAUBCCSICMP-MNOVXSKESA-N 0 0 244.404 2.425 10 0 BEAERN COC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000172794554 365380680 /nfs/dbraw/zinc/38/06/80/365380680.db2.gz PSRPOAXHEWSFCF-NEPJUHHUSA-N 0 0 247.338 2.242 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)[C@H]1C[C@H]1C ZINC000321765516 541494157 /nfs/dbraw/zinc/49/41/57/541494157.db2.gz OQBYNMIWSARDJL-BBBLOLIVSA-N 0 0 214.305 2.247 10 0 BEAERN CCOC(=O)c1c(Cl)onc1C1CC1 ZINC000259656822 541488591 /nfs/dbraw/zinc/48/85/91/541488591.db2.gz KIAFVRUUOQWPPJ-UHFFFAOYSA-N 0 0 215.636 2.382 10 0 BEAERN CCc1nc2n(n1)[C@@H](CC)C[C@H](CC)N2 ZINC000234097644 541510734 /nfs/dbraw/zinc/51/07/34/541510734.db2.gz UWRUUASOHDKARJ-IUCAKERBSA-N 0 0 208.309 2.386 10 0 BEAERN CCc1nc2n(n1)[C@@H](C(C)(C)C)CCN2 ZINC000234231246 541511730 /nfs/dbraw/zinc/51/17/30/541511730.db2.gz KZHKPAKPYHICND-MRVPVSSYSA-N 0 0 208.309 2.243 10 0 BEAERN CCc1n[n-]c(=[NH+]C(C)(C)C)n1CC(C)C ZINC000381724986 367452032 /nfs/dbraw/zinc/45/20/32/367452032.db2.gz MMEUKQDYZOVNPJ-UHFFFAOYSA-N 0 0 224.352 2.129 10 0 BEAERN COC(=O)c1c(F)c(OC)cc(OC)c1Cl ZINC000117211534 370884210 /nfs/dbraw/zinc/88/42/10/370884210.db2.gz YYQYMDQPOSVVCE-UHFFFAOYSA-N 0 0 248.637 2.283 10 0 BEAERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1csc(N)n1 ZINC000252737823 367905300 /nfs/dbraw/zinc/90/53/00/367905300.db2.gz CXXTUEUUEDLKTM-LKHWLPBLSA-N 0 0 212.318 2.252 10 0 BEAERN CCOC(=O)[C@H](C)[C@H](C#N)c1ccccc1 ZINC000075627709 367933431 /nfs/dbraw/zinc/93/34/31/367933431.db2.gz NJWSSOVRSTXGGG-PWSUYJOCSA-N 0 0 217.268 2.493 10 0 BEAERN CC(C)[C@H](O)[C@@H]1SCCS[C@H]1C ZINC000252725315 367895556 /nfs/dbraw/zinc/89/55/56/367895556.db2.gz ZXBJLYOYIIDSDN-XHNCKOQMSA-N 0 0 206.376 2.240 10 0 BEAERN CC[C@H]1SCCS[C@H]1C(=N)OC ZINC000252723987 367896177 /nfs/dbraw/zinc/89/61/77/367896177.db2.gz WBEYZNYVBNRVRC-RNFRBKRXSA-N 0 0 205.348 2.237 10 0 BEAERN CC[N@H+](Cc1nc(C(=O)[O-])co1)C1CCCC1 ZINC000386961321 368039762 /nfs/dbraw/zinc/03/97/62/368039762.db2.gz KFCCTHBTQIFUBU-UHFFFAOYSA-N 0 0 238.287 2.137 10 0 BEAERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[C@@H](O)C(C)(C)C ZINC000252901760 368164270 /nfs/dbraw/zinc/16/42/70/368164270.db2.gz LNFKTTWUNFXRMN-FBDQPXRJSA-N 0 0 200.322 2.453 10 0 BEAERN C[C@H]1CC([C@H](NN)C(F)F)C[C@H](C)C1 ZINC000252990527 368178544 /nfs/dbraw/zinc/17/85/44/368178544.db2.gz BBSQZEFGMOYCDO-BHNWBGBOSA-N 0 0 206.280 2.156 10 0 BEAERN COc1ccc2oc(=O)cc(Cl)c2c1 ZINC000038221216 368323780 /nfs/dbraw/zinc/32/37/80/368323780.db2.gz GNYUIFAQVWIXJS-UHFFFAOYSA-N 0 0 210.616 2.455 10 0 BEAERN Cn1nc(-c2ccncc2)c2sccc2c1=O ZINC000226139935 368367846 /nfs/dbraw/zinc/36/78/46/368367846.db2.gz OWEJDIOWFGIUGY-UHFFFAOYSA-N 0 0 243.291 2.057 10 0 BEAERN CC[C@H](CC[C@@H]1CCCO1)OC(C)=O ZINC000039366102 368330116 /nfs/dbraw/zinc/33/01/16/368330116.db2.gz QIVAMLXUNDMINC-MNOVXSKESA-N 0 0 200.278 2.287 10 0 BEAERN C[S@](=O)c1nc2cc(F)ccc2s1 ZINC000116402449 368343416 /nfs/dbraw/zinc/34/34/16/368343416.db2.gz QGQBXPGCKPRNBE-CYBMUJFWSA-N 0 0 215.274 2.173 10 0 BEAERN COc1ccc2c(C=O)nn(C3CC3)c2c1 ZINC000146047830 368349569 /nfs/dbraw/zinc/34/95/69/368349569.db2.gz UMZAEDWAFSXHBS-UHFFFAOYSA-N 0 0 216.240 2.192 10 0 BEAERN COC(=O)c1cc2cccc(F)c2cn1 ZINC000168133287 368352749 /nfs/dbraw/zinc/35/27/49/368352749.db2.gz MWZAKFWUHOAVRW-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN COC(=O)C[C@H]1c2ccc(O)cc2OC[C@@H]1C ZINC000201083728 368354265 /nfs/dbraw/zinc/35/42/65/368354265.db2.gz VWPALTJCUVEPOG-GZMMTYOYSA-N 0 0 236.267 2.067 10 0 BEAERN COC(=O)c1cccc2[nH]c(C)c(F)c21 ZINC000223272051 368363941 /nfs/dbraw/zinc/36/39/41/368363941.db2.gz MRZMPVJEFQWEKR-UHFFFAOYSA-N 0 0 207.204 2.402 10 0 BEAERN CC(=O)Nc1ccn(-c2c(F)cccc2F)n1 ZINC000223696754 368364820 /nfs/dbraw/zinc/36/48/20/368364820.db2.gz LQWOCQRFEIYMAB-UHFFFAOYSA-N 0 0 237.209 2.109 10 0 BEAERN Cn1ncc2c1cc(N)cc2C(F)(F)F ZINC000224414078 368366386 /nfs/dbraw/zinc/36/63/86/368366386.db2.gz OPTDKUJSJSZJEP-UHFFFAOYSA-N 0 0 215.178 2.174 10 0 BEAERN O=C1NCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000196222872 368396642 /nfs/dbraw/zinc/39/66/42/368396642.db2.gz DJGFNQQJFQRHLJ-SECBINFHSA-N 0 0 229.201 2.309 10 0 BEAERN Cc1cccc(Cc2ncccc2CO)c1 ZINC000200628842 368398505 /nfs/dbraw/zinc/39/85/05/368398505.db2.gz QMHFGMHKGWTYEP-UHFFFAOYSA-N 0 0 213.280 2.473 10 0 BEAERN Cc1ccc(Cc2ncccc2CO)cc1 ZINC000039039914 368376226 /nfs/dbraw/zinc/37/62/26/368376226.db2.gz HYHVPLKIJZZXGW-UHFFFAOYSA-N 0 0 213.280 2.473 10 0 BEAERN CCOC(=O)C1=C(N)C[C@H](c2ccccc2)C1 ZINC000048552874 368379894 /nfs/dbraw/zinc/37/98/94/368379894.db2.gz RDCTUDLJXUTCTM-LLVKDONJSA-N 0 0 231.295 2.340 10 0 BEAERN C[S@@](=N)(=O)c1ccccc1Br ZINC000139131692 368390881 /nfs/dbraw/zinc/39/08/81/368390881.db2.gz AQOLYXWOVMNOER-LLVKDONJSA-N 0 0 234.118 2.485 10 0 BEAERN CCOC(=O)c1ccn(-c2ccccc2OC)n1 ZINC000163439572 368395065 /nfs/dbraw/zinc/39/50/65/368395065.db2.gz TXIKPHBZESOZFG-UHFFFAOYSA-N 0 0 246.266 2.058 10 0 BEAERN CSCC(=O)NCc1ccc(Cl)s1 ZINC000045527186 368429124 /nfs/dbraw/zinc/42/91/24/368429124.db2.gz CWDXZZZXCKBZHI-UHFFFAOYSA-N 0 0 235.761 2.381 10 0 BEAERN O=Cc1cn(-c2ccc(Cl)cc2)cn1 ZINC000107378100 368482694 /nfs/dbraw/zinc/48/26/94/368482694.db2.gz VLQKBZDJSBEWLN-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)C1CCC(=O)CC1 ZINC000074225106 368833864 /nfs/dbraw/zinc/83/38/64/368833864.db2.gz AMHCYOVHGAHOFS-PWSUYJOCSA-N 0 0 223.316 2.051 10 0 BEAERN FC(F)(F)[C@@H]1CN1Cc1ccccc1 ZINC000003165683 368865479 /nfs/dbraw/zinc/86/54/79/368865479.db2.gz FXTYNGNFIMWUGV-CUVJYRNJSA-N 0 0 201.191 2.433 10 0 BEAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)C(C)(C)C ZINC000112462109 368872572 /nfs/dbraw/zinc/87/25/72/368872572.db2.gz NFONPKVYOBGENF-MNOVXSKESA-N 0 0 242.363 2.241 10 0 BEAERN O=C(NC/C=C/c1ccccc1)C1CCOCC1 ZINC000112584420 368873574 /nfs/dbraw/zinc/87/35/74/368873574.db2.gz RTXVHWXNHPOWPW-QPJJXVBHSA-N 0 0 245.322 2.243 10 0 BEAERN O=C1Nc2ccccc2N2CCCCC[C@@H]12 ZINC000086158635 368874251 /nfs/dbraw/zinc/87/42/51/368874251.db2.gz FMMHWGDALFLAMW-LBPRGKRZSA-N 0 0 216.284 2.388 10 0 BEAERN CCOC(=O)C[C@@H]1CCCc2cccnc21 ZINC000086734523 368884030 /nfs/dbraw/zinc/88/40/30/368884030.db2.gz SRWQONDOPOMPFZ-NSHDSACASA-N 0 0 219.284 2.455 10 0 BEAERN C=CC(=O)OCCN(CC)c1ccccc1 ZINC000114189089 368928617 /nfs/dbraw/zinc/92/86/17/368928617.db2.gz UJHRMEYNMNYUQY-UHFFFAOYSA-N 0 0 219.284 2.242 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1cccc(C)c1 ZINC000115354478 368944904 /nfs/dbraw/zinc/94/49/04/368944904.db2.gz ZWBNBQSNPSXVPE-LBPRGKRZSA-N 0 0 245.278 2.271 10 0 BEAERN O=C1NCCc2sc3ccccc3c21 ZINC000114630914 368945897 /nfs/dbraw/zinc/94/58/97/368945897.db2.gz XHKYQCBJWWTRPX-UHFFFAOYSA-N 0 0 203.266 2.187 10 0 BEAERN O=C([O-])[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000090978020 369002358 /nfs/dbraw/zinc/00/23/58/369002358.db2.gz BCBGCUBNNDPJAV-QWHCGFSZSA-N 0 0 245.322 2.123 10 0 BEAERN COC(=O)[C@@H](C=O)c1cccc(C(F)(F)F)c1 ZINC000116071107 369019565 /nfs/dbraw/zinc/01/95/65/369019565.db2.gz UAVIRBQKHOZBIG-VIFPVBQESA-N 0 0 246.184 2.161 10 0 BEAERN CC1(O)c2ccccc2C(=O)c2ccccc21 ZINC000005727944 369029053 /nfs/dbraw/zinc/02/90/53/369029053.db2.gz JLXWXEYFHAFIEB-UHFFFAOYSA-N 0 0 224.259 2.487 10 0 BEAERN Fc1c(F)c(F)c2nccnc2c1F ZINC000006119147 369031632 /nfs/dbraw/zinc/03/16/32/369031632.db2.gz ZDUBWORTCBYOEZ-UHFFFAOYSA-N 0 0 202.110 2.186 10 0 BEAERN Cc1c(N)ccc(O)c1Br ZINC000215097226 369048506 /nfs/dbraw/zinc/04/85/06/369048506.db2.gz UOLSDNUQMRMEPF-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN S=C1N=NC(NCc2ccoc2)S1 ZINC000130832611 369093791 /nfs/dbraw/zinc/09/37/91/369093791.db2.gz YQONRQGGJVIDIE-UHFFFAOYSA-N 0 0 213.287 2.032 10 0 BEAERN Cc1cc(C=O)nc(Cc2cccs2)n1 ZINC000054830481 369101396 /nfs/dbraw/zinc/10/13/96/369101396.db2.gz BHECUSDYDGVYPG-UHFFFAOYSA-N 0 0 218.281 2.250 10 0 BEAERN CC(=O)N1C[C@H](c2cocn2)Nc2ccccc21 ZINC000616692919 369115911 /nfs/dbraw/zinc/11/59/11/369115911.db2.gz WVAYBDKPDBTAHU-LLVKDONJSA-N 0 0 243.266 2.194 10 0 BEAERN O[C@@H](Cc1ccoc1)[C@H]1CSCCS1 ZINC000130848882 369118310 /nfs/dbraw/zinc/11/83/10/369118310.db2.gz JDJQKJLNXIOMEV-VHSXEESVSA-N 0 0 230.354 2.032 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1CO)C1CCC1 ZINC000457666239 203086592 /nfs/dbraw/zinc/08/65/92/203086592.db2.gz UYKFPSJLXDLVRU-DRZSPHRISA-N 0 0 239.359 2.090 10 0 BEAERN COC(=O)[C@H](C)c1cc(F)ccc1F ZINC000055242342 369157931 /nfs/dbraw/zinc/15/79/31/369157931.db2.gz NYYBWNOZWOZRND-ZCFIWIBFSA-N 0 0 200.184 2.241 10 0 BEAERN COC(=O)[C@@H](C)c1cc(F)ccc1F ZINC000055242339 369158140 /nfs/dbraw/zinc/15/81/40/369158140.db2.gz NYYBWNOZWOZRND-LURJTMIESA-N 0 0 200.184 2.241 10 0 BEAERN CSC[C@@H](O)c1cc(F)ccc1F ZINC000055243081 369158344 /nfs/dbraw/zinc/15/83/44/369158344.db2.gz ZLEOXVIDIUTADB-SECBINFHSA-N 0 0 204.241 2.361 10 0 BEAERN CC[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000055276283 369173133 /nfs/dbraw/zinc/17/31/33/369173133.db2.gz KWGPWUSFBNQAOU-SNVBAGLBSA-N 0 0 249.310 2.136 10 0 BEAERN Nc1cccc2c(=O)[nH]c3sccc3c12 ZINC000000009264 369348890 /nfs/dbraw/zinc/34/88/90/369348890.db2.gz GNMBCNWDJLUJFD-UHFFFAOYSA-N 0 0 216.265 2.325 10 0 BEAERN CCCCN(C)c1nc2sccn2c1C=O ZINC000022157520 168788420 /nfs/dbraw/zinc/78/84/20/168788420.db2.gz LANMJOFUQBIOTG-UHFFFAOYSA-N 0 0 237.328 2.445 10 0 BEAERN CSCC(=O)NCc1cc2ccccc2o1 ZINC000061586120 369766198 /nfs/dbraw/zinc/76/61/98/369766198.db2.gz ULUQNEVZOQOBFL-UHFFFAOYSA-N 0 0 235.308 2.412 10 0 BEAERN CCCC(CCC)C(=O)NC1CC(CO)C1 ZINC000620883063 370039753 /nfs/dbraw/zinc/03/97/53/370039753.db2.gz JUZJBFCCDKXUOY-UHFFFAOYSA-N 0 0 227.348 2.090 10 0 BEAERN CSCCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252967663 370142999 /nfs/dbraw/zinc/14/29/99/370142999.db2.gz YEHDFFOPIIGFDO-JGPRNRPPSA-N 0 0 227.373 2.292 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCC1 ZINC000252978275 370144470 /nfs/dbraw/zinc/14/44/70/370144470.db2.gz BCCWYJYFYIKJJZ-KXGXSXBTSA-N 0 0 207.317 2.337 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)CC1CCCC1 ZINC000075981361 370197100 /nfs/dbraw/zinc/19/71/00/370197100.db2.gz GERJZSWMJQLSHX-ONGXEEELSA-N 0 0 210.321 2.226 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000076050441 370206183 /nfs/dbraw/zinc/20/61/83/370206183.db2.gz RFKLBXCEHWCDRF-VPOLOUISSA-N 0 0 210.321 2.273 10 0 BEAERN CSCCCCNC(=O)N[C@@H](C)C(C)C ZINC000077338427 370411922 /nfs/dbraw/zinc/41/19/22/370411922.db2.gz IKSVYYOSRYMIHY-JTQLQIEISA-N 0 0 232.393 2.473 10 0 BEAERN CC(C)(C)c1cc(N)n(CC2CCOCC2)n1 ZINC000113479439 370415347 /nfs/dbraw/zinc/41/53/47/370415347.db2.gz JHKSDQKXSQYWFL-UHFFFAOYSA-N 0 0 237.347 2.189 10 0 BEAERN CSCCCCNC(=O)Nc1ccccn1 ZINC000130957880 370475371 /nfs/dbraw/zinc/47/53/71/370475371.db2.gz WBQCPNCFRZTJAH-UHFFFAOYSA-N 0 0 239.344 2.346 10 0 BEAERN NCc1nnc(-c2ccc(F)c(Cl)c2)s1 ZINC000082551123 181505018 /nfs/dbraw/zinc/50/50/18/181505018.db2.gz YEGDPXXUWWADLV-UHFFFAOYSA-N 0 0 243.694 2.456 10 0 BEAERN Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)[C@H]2C)cc1 ZINC000225402996 370548663 /nfs/dbraw/zinc/54/86/63/370548663.db2.gz BLTOQHLIDRTTBP-JTQLQIEISA-N 0 0 235.307 2.015 10 0 BEAERN Nc1ncc(-c2cn[nH]c2)c2cc(Cl)oc21 ZINC000114338498 370553507 /nfs/dbraw/zinc/55/35/07/370553507.db2.gz KMURCVJUWPDFLG-UHFFFAOYSA-N 0 0 234.646 2.454 10 0 BEAERN CC1(C)CS[C@H](c2cncs2)N1 ZINC000161615199 370605581 /nfs/dbraw/zinc/60/55/81/370605581.db2.gz FUAVMSSTTHEGML-SSDOTTSWSA-N 0 0 200.332 2.257 10 0 BEAERN COC(=O)c1ccc2c(c1)C(=O)CC2(C)C ZINC000114623028 370582443 /nfs/dbraw/zinc/58/24/43/370582443.db2.gz RZILJCXXPILJLF-UHFFFAOYSA-N 0 0 218.252 2.337 10 0 BEAERN COc1ccc2nc(NCC[C@@H](C)O)ccc2c1 ZINC000114710099 370590278 /nfs/dbraw/zinc/59/02/78/370590278.db2.gz AQFYAMZPWDYNIL-SNVBAGLBSA-N 0 0 246.310 2.426 10 0 BEAERN Cc1ccc2c(c1)CN(CC(F)F)C2=O ZINC000115065790 370619935 /nfs/dbraw/zinc/61/99/35/370619935.db2.gz TYERBMGXTDYJRY-UHFFFAOYSA-N 0 0 211.211 2.216 10 0 BEAERN C[C@H]1CCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000349896332 370626202 /nfs/dbraw/zinc/62/62/02/370626202.db2.gz RPFVBEWMGNZHMH-DTWKUNHWSA-N 0 0 230.271 2.430 10 0 BEAERN Cc1cccc(CNC(=O)N2CCC(C)CC2)n1 ZINC000123760215 371105408 /nfs/dbraw/zinc/10/54/08/371105408.db2.gz UJYUDZDPBWNKCV-UHFFFAOYSA-N 0 0 247.342 2.332 10 0 BEAERN NN1CCC[C@@H]1c1cc(Cl)ccc1F ZINC000077306779 181510714 /nfs/dbraw/zinc/51/07/14/181510714.db2.gz CBNKRWZOUXEXHE-SNVBAGLBSA-N 0 0 214.671 2.490 10 0 BEAERN NNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000002390155 181516550 /nfs/dbraw/zinc/51/65/50/181516550.db2.gz KLIUNSPARHGWSX-UHFFFAOYSA-N 0 0 236.127 2.154 10 0 BEAERN NN=c1[nH]c2cc(F)cc(Br)c2o1 ZINC000062534556 181520288 /nfs/dbraw/zinc/52/02/88/181520288.db2.gz GTZVCNREORNZPY-UHFFFAOYSA-N 0 0 246.039 2.015 10 0 BEAERN [NH3+][C@H](CCCCSc1ccccc1)C(=O)[O-] ZINC000005774830 181614644 /nfs/dbraw/zinc/61/46/44/181614644.db2.gz BIKMUECUVHTWSL-LLVKDONJSA-N 0 0 239.340 2.361 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000155592668 371270296 /nfs/dbraw/zinc/27/02/96/371270296.db2.gz QZRBDGNCWHYEBA-LLVKDONJSA-N 0 0 227.348 2.308 10 0 BEAERN Cc1cc(CNCC(F)(F)C(F)F)ccn1 ZINC000391154088 371272060 /nfs/dbraw/zinc/27/20/60/371272060.db2.gz DLDNBEZVNPYMKK-UHFFFAOYSA-N 0 0 236.212 2.380 10 0 BEAERN Nc1cc(-c2nnc3cnccn32)ccc1Cl ZINC000035452522 181674999 /nfs/dbraw/zinc/67/49/99/181674999.db2.gz YMNOPTLJKSGPSQ-UHFFFAOYSA-N 0 0 245.673 2.027 10 0 BEAERN Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2C3)n(C2CC2)c1 ZINC000049715819 181677975 /nfs/dbraw/zinc/67/79/75/181677975.db2.gz YOCYFJMCISFRCN-JOYOIKCWSA-N 0 0 245.326 2.030 10 0 BEAERN Nc1cc(Cc2ccccc2Cl)[nH]n1 ZINC000041217003 181682665 /nfs/dbraw/zinc/68/26/65/181682665.db2.gz MOOJRHRXXPWANE-UHFFFAOYSA-N 0 0 207.664 2.236 10 0 BEAERN Nc1cc(Cl)ccc1OCCn1cccn1 ZINC000033425158 181684691 /nfs/dbraw/zinc/68/46/91/181684691.db2.gz FMJQRMZVRBZZBU-UHFFFAOYSA-N 0 0 237.690 2.198 10 0 BEAERN Nc1cc(Cl)ccc1OC1CCOCC1 ZINC000040887201 181684749 /nfs/dbraw/zinc/68/47/49/181684749.db2.gz FYCHERNZBHETGZ-UHFFFAOYSA-N 0 0 227.691 2.480 10 0 BEAERN Nc1cc(F)c2c(c1)C(=O)CCCS2 ZINC000082373564 181685623 /nfs/dbraw/zinc/68/56/23/181685623.db2.gz FXZWYIBKELGMDU-UHFFFAOYSA-N 0 0 211.261 2.477 10 0 BEAERN Nc1cc(F)ccc1NC[C@H]1CCCCO1 ZINC000042813381 181687815 /nfs/dbraw/zinc/68/78/15/181687815.db2.gz DJIOOOKIKLKZDK-SNVBAGLBSA-N 0 0 224.279 2.389 10 0 BEAERN Nc1cc(NC(=O)c2ccncc2)c(F)cc1F ZINC000036738913 181689746 /nfs/dbraw/zinc/68/97/46/181689746.db2.gz UOORVLXNTBRWHU-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CCCCO[C@H](C)C(=O)NCCCCSC ZINC000125754250 371392015 /nfs/dbraw/zinc/39/20/15/371392015.db2.gz FQMJRRKCROYTKB-LLVKDONJSA-N 0 0 247.404 2.451 10 0 BEAERN Nc1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000035696940 181697173 /nfs/dbraw/zinc/69/71/73/181697173.db2.gz QDARSSTZJRXKIV-UHFFFAOYSA-N 0 0 238.250 2.381 10 0 BEAERN Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1F ZINC000063010355 181702468 /nfs/dbraw/zinc/70/24/68/181702468.db2.gz JWQACVPGRSEILD-UHFFFAOYSA-N 0 0 246.241 2.366 10 0 BEAERN Nc1ccc(C(=O)OCc2cccs2)cc1O ZINC000049584806 181703444 /nfs/dbraw/zinc/70/34/44/181703444.db2.gz IYBSABALQJFWLQ-UHFFFAOYSA-N 0 0 249.291 2.393 10 0 BEAERN Nc1ccc(C(=O)c2cccc(N)c2)cc1 ZINC000005161779 181703525 /nfs/dbraw/zinc/70/35/25/181703525.db2.gz YKNMIGJJXKBHJE-UHFFFAOYSA-N 0 0 212.252 2.082 10 0 BEAERN Nc1ccc2c(c1)nc(CO)n2-c1ccccc1 ZINC000053735839 181732104 /nfs/dbraw/zinc/73/21/04/181732104.db2.gz FBPWQDUMMYUPTK-UHFFFAOYSA-N 0 0 239.278 2.100 10 0 BEAERN CSCCCCNC(=O)c1ccc(C)nc1 ZINC000126052813 371489284 /nfs/dbraw/zinc/48/92/84/371489284.db2.gz ZSSKNMIQCNLIQN-UHFFFAOYSA-N 0 0 238.356 2.263 10 0 BEAERN CC(=O)Nc1ccn(Cc2ccccc2C)n1 ZINC000021573911 371454145 /nfs/dbraw/zinc/45/41/45/371454145.db2.gz JUZAGGGMVWLZMB-UHFFFAOYSA-N 0 0 229.283 2.198 10 0 BEAERN Nc1cccc(NC(=O)CC(F)(F)F)c1 ZINC000022146979 181745955 /nfs/dbraw/zinc/74/59/55/181745955.db2.gz AWYFFTLTOQJFIE-UHFFFAOYSA-N 0 0 218.178 2.160 10 0 BEAERN Nc1ccnc(SCc2ccccc2)n1 ZINC000001745858 181763707 /nfs/dbraw/zinc/76/37/07/181763707.db2.gz JLCHIORNNYBWFD-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN COc1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000161730183 371557119 /nfs/dbraw/zinc/55/71/19/371557119.db2.gz QUJAQQAEVALJDJ-LURJTMIESA-N 0 0 209.270 2.128 10 0 BEAERN Nc1ccccc1-c1noc(-c2cscn2)n1 ZINC000062358370 181751857 /nfs/dbraw/zinc/75/18/57/181751857.db2.gz GSJVUARRPWFCFG-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN Nc1ccccc1-c1cnn(C[C@H]2CCOC2)c1 ZINC000104063568 181751909 /nfs/dbraw/zinc/75/19/09/181751909.db2.gz QWWQJHOMFTYYGH-LLVKDONJSA-N 0 0 243.310 2.169 10 0 BEAERN Nc1ccccc1NCCc1cccnc1 ZINC000037717627 181756078 /nfs/dbraw/zinc/75/60/78/181756078.db2.gz KKIMRLOYABUZAD-UHFFFAOYSA-N 0 0 213.284 2.318 10 0 BEAERN Nc1cccnc1SCc1cccnc1 ZINC000037191009 181759365 /nfs/dbraw/zinc/75/93/65/181759365.db2.gz ASWNYDOQVKZBSS-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN Nc1cccnc1Sc1ccccn1 ZINC000000132751 181759614 /nfs/dbraw/zinc/75/96/14/181759614.db2.gz QLMCJAJDBSKUDN-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN Nc1ccn(-c2ccccc2Br)n1 ZINC000054404769 181759631 /nfs/dbraw/zinc/75/96/31/181759631.db2.gz OSJLEKWLYWOKKG-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN Nc1ccn(CCCOc2ccc(F)cc2)n1 ZINC000067799543 181760305 /nfs/dbraw/zinc/76/03/05/181760305.db2.gz ZBXVSPBRBMCUJL-UHFFFAOYSA-N 0 0 235.262 2.074 10 0 BEAERN O=Cc1cnc(Sc2ccccc2)nc1 ZINC000126763695 371549290 /nfs/dbraw/zinc/54/92/90/371549290.db2.gz COUNRLYVNBCOJX-UHFFFAOYSA-N 0 0 216.265 2.440 10 0 BEAERN Nc1ccnc(-c2ccccc2Cl)n1 ZINC000050847104 181762372 /nfs/dbraw/zinc/76/23/72/181762372.db2.gz SBJZNUPTZTYPBA-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1ccnc(-c2cc(F)c(F)c(F)c2)n1 ZINC000050847204 181762387 /nfs/dbraw/zinc/76/23/87/181762387.db2.gz KXNSZQSJWMWOST-UHFFFAOYSA-N 0 0 225.173 2.143 10 0 BEAERN Nc1ccnc(C(=O)Nc2c(F)cccc2F)c1 ZINC000050700435 181762597 /nfs/dbraw/zinc/76/25/97/181762597.db2.gz YYIHLWGNDBTQCT-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN O[C@H](c1ccsc1)c1ncccc1F ZINC000131191894 371567225 /nfs/dbraw/zinc/56/72/25/371567225.db2.gz ZIGZKFFXPFRKLS-SNVBAGLBSA-N 0 0 209.245 2.364 10 0 BEAERN CCOc1cc(CC)c(C=O)cc1OC ZINC000225778622 371576782 /nfs/dbraw/zinc/57/67/82/371576782.db2.gz ZRZUKFAHMVEWLD-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CON[C@@H]1c2cccc(Cl)c2O[C@@H]1C ZINC000131271511 371580341 /nfs/dbraw/zinc/58/03/41/371580341.db2.gz JTRKDNRVFBATJB-MUWHJKNJSA-N 0 0 213.664 2.313 10 0 BEAERN Nc1nc2ccccc2c(-c2ccoc2)n1 ZINC000072192263 181776723 /nfs/dbraw/zinc/77/67/23/181776723.db2.gz FLSAHBDOOINLML-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN CON[C@H]1COc2c1cc(F)cc2Cl ZINC000131446095 371606864 /nfs/dbraw/zinc/60/68/64/371606864.db2.gz UIRPUJDSLLBIPO-QMMMGPOBSA-N 0 0 217.627 2.064 10 0 BEAERN C[C@H]1C[C@H](C(=O)Cc2ccsc2)CO1 ZINC000162111061 371611750 /nfs/dbraw/zinc/61/17/50/371611750.db2.gz CWWNZYFHURVIBX-WPRPVWTQSA-N 0 0 210.298 2.285 10 0 BEAERN Brc1ccnn1CC1CCC1 ZINC000215754017 371626028 /nfs/dbraw/zinc/62/60/28/371626028.db2.gz MNICIWPLQRRCKM-UHFFFAOYSA-N 0 0 215.094 2.446 10 0 BEAERN CCc1ccccc1-c1nc(N)ns1 ZINC000162220152 371630502 /nfs/dbraw/zinc/63/05/02/371630502.db2.gz ILZLDHZOCNPYTH-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN C[C@@H](CO)Sc1cc(F)cc(F)c1N ZINC000162337802 371659932 /nfs/dbraw/zinc/65/99/32/371659932.db2.gz CSCANBDEJXMKAF-YFKPBYRVSA-N 0 0 219.256 2.020 10 0 BEAERN Cc1ccc(-c2nc(C=O)cs2)cn1 ZINC000162340570 371659974 /nfs/dbraw/zinc/65/99/74/371659974.db2.gz DHFUNRAOFXWUMA-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN C[C@H](c1ccco1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396334 371660456 /nfs/dbraw/zinc/66/04/56/371660456.db2.gz IKQFBOLXUTZYBN-NXEZZACHSA-N 0 0 223.272 2.137 10 0 BEAERN CC(C)C(=O)Nc1cccnc1Br ZINC000226675389 371721295 /nfs/dbraw/zinc/72/12/95/371721295.db2.gz KPFNDSLIUKQQMF-UHFFFAOYSA-N 0 0 243.104 2.439 10 0 BEAERN Nc1nc2cccnc2n1Cc1ccccc1 ZINC000075947685 181794585 /nfs/dbraw/zinc/79/45/85/181794585.db2.gz DGQHLIFQEDQFMU-UHFFFAOYSA-N 0 0 224.267 2.062 10 0 BEAERN Nc1cnn(-c2c(F)cccc2Cl)c1 ZINC000131954949 371725577 /nfs/dbraw/zinc/72/55/77/371725577.db2.gz ZIOJPTUAVJLVGB-UHFFFAOYSA-N 0 0 211.627 2.247 10 0 BEAERN Nc1nc2nccc(Br)c2s1 ZINC000089229465 181795569 /nfs/dbraw/zinc/79/55/69/181795569.db2.gz JLTUTUNAQGXQRM-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN Nc1nc2nccc(-c3ccccc3Cl)n2n1 ZINC000072416371 181796100 /nfs/dbraw/zinc/79/61/00/181796100.db2.gz DXYMYHAURUDOKX-UHFFFAOYSA-N 0 0 245.673 2.027 10 0 BEAERN C[C@H]1CCCCCN1c1ncc(N)s1 ZINC000226744067 371735238 /nfs/dbraw/zinc/73/52/38/371735238.db2.gz QMANPDPBNYVKHW-QMMMGPOBSA-N 0 0 211.334 2.494 10 0 BEAERN Nc1cnc(NC2CCSCC2)s1 ZINC000226752720 371735762 /nfs/dbraw/zinc/73/57/62/371735762.db2.gz GLGUTVXHCUEKIA-UHFFFAOYSA-N 0 0 215.347 2.033 10 0 BEAERN Nc1ncc(-c2cccnc2)cc1Cl ZINC000047212334 181797321 /nfs/dbraw/zinc/79/73/21/181797321.db2.gz PXKBKGCYINNIFS-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1nccc(/C=C/c2ccc(F)cc2)n1 ZINC000058602679 181799743 /nfs/dbraw/zinc/79/97/43/181799743.db2.gz QGAOUYWNAJXHKS-ZZXKWVIFSA-N 0 0 215.231 2.368 10 0 BEAERN Nc1csc(COc2ccccc2)n1 ZINC000131839011 371692964 /nfs/dbraw/zinc/69/29/64/371692964.db2.gz TVPKDICUBYBHDQ-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN CC[C@@H]1Sc2nccc(C)c2NC1=O ZINC000162675599 371745569 /nfs/dbraw/zinc/74/55/69/371745569.db2.gz GTDPJVKFEIRYET-ZETCQYMHSA-N 0 0 208.286 2.213 10 0 BEAERN ONCc1ccc(F)cc1C(F)(F)F ZINC000132039012 371745696 /nfs/dbraw/zinc/74/56/96/371745696.db2.gz BNMZXADXUPJZLS-UHFFFAOYSA-N 0 0 209.142 2.323 10 0 BEAERN Cc1ccsc1C(=O)c1ccc(N)cn1 ZINC000226816574 371749260 /nfs/dbraw/zinc/74/92/60/371749260.db2.gz ZYLBXAASPGITJX-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN C[C@@H](NO)c1cccc(Br)c1 ZINC000132113253 371754178 /nfs/dbraw/zinc/75/41/78/371754178.db2.gz HGMPJCVDCYTLDB-ZCFIWIBFSA-N 0 0 216.078 2.489 10 0 BEAERN Cc1cc(-c2nnc(N)o2)ccc1Cl ZINC000132152095 371757958 /nfs/dbraw/zinc/75/79/58/371757958.db2.gz BWBYUVDJKNMOMO-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN C[C@H](NO)c1ccccc1Br ZINC000132173144 371758614 /nfs/dbraw/zinc/75/86/14/371758614.db2.gz UPCPXTCPSIPZPR-LURJTMIESA-N 0 0 216.078 2.489 10 0 BEAERN CC[C@@H]1Oc2c(Cl)ncnc2N[C@@H]1C ZINC000132208710 371766235 /nfs/dbraw/zinc/76/62/35/371766235.db2.gz XFMHLMAXWMJJBE-RITPCOANSA-N 0 0 213.668 2.101 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1cnccc1Cl ZINC000227105741 371785507 /nfs/dbraw/zinc/78/55/07/371785507.db2.gz XAZOLCQSFANXMJ-NKWVEPMBSA-N 0 0 210.664 2.330 10 0 BEAERN COc1cc(F)c(Br)c(C=O)c1 ZINC000216865054 371830240 /nfs/dbraw/zinc/83/02/40/371830240.db2.gz WFEQUUXPFSVQIL-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12C[C@@H](C)CC[C@@H]2C ZINC000227199955 371799524 /nfs/dbraw/zinc/79/95/24/371799524.db2.gz LMHBHZBNYYWSSJ-QSFUFRPTSA-N 0 0 212.289 2.143 10 0 BEAERN CC[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000132410311 371815823 /nfs/dbraw/zinc/81/58/23/371815823.db2.gz ZQCVFJPSYDNERE-WRWGMCAJSA-N 0 0 240.347 2.042 10 0 BEAERN Nc1nnc(CCc2ccc(F)cc2)s1 ZINC000084014830 181813172 /nfs/dbraw/zinc/81/31/72/181813172.db2.gz SPTQBGQXLKGNAZ-UHFFFAOYSA-N 0 0 223.276 2.045 10 0 BEAERN Nc1snnc1COc1ccccc1Cl ZINC000050830870 181820933 /nfs/dbraw/zinc/82/09/33/181820933.db2.gz YOTHGIYUOWKGAW-UHFFFAOYSA-N 0 0 241.703 2.353 10 0 BEAERN C[C@@H]1C[C@@H](c2nc(Br)ns2)CO1 ZINC000230109582 371850573 /nfs/dbraw/zinc/85/05/73/371850573.db2.gz YEXWSCFYIIKYDR-RFZPGFLSSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@@H]1CC[C@@H](c2nc(Cl)ns2)O1 ZINC000230112623 371852363 /nfs/dbraw/zinc/85/23/63/371852363.db2.gz NFDBAPKVARNMNU-UHNVWZDZSA-N 0 0 204.682 2.432 10 0 BEAERN COC(=O)[C@H](N)Cc1ccc(Cl)cc1Cl ZINC000057536690 371861104 /nfs/dbraw/zinc/86/11/04/371861104.db2.gz VSZLVRSHQJSDSG-SECBINFHSA-N 0 0 248.109 2.036 10 0 BEAERN Cc1cnc(C(=O)Cc2cccs2)nc1 ZINC000132583238 371864757 /nfs/dbraw/zinc/86/47/57/371864757.db2.gz GPYYHNNYMHRSRL-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN C[C@H]1SCCN(c2nccnc2Cl)[C@H]1C ZINC000132603040 371869240 /nfs/dbraw/zinc/86/92/40/371869240.db2.gz FUWQGLQTOGKMML-JGVFFNPUSA-N 0 0 243.763 2.460 10 0 BEAERN C[C@@H]1C[C@@H](C)N(C(=O)C(C)(C)Br)C1 ZINC000162880187 371873349 /nfs/dbraw/zinc/87/33/49/371873349.db2.gz MVSUFLSGNKBHCP-HTQZYQBOSA-N 0 0 248.164 2.417 10 0 BEAERN Cc1ccc(Cl)c(N2CCOCC2)c1 ZINC000217045883 371873404 /nfs/dbraw/zinc/87/34/04/371873404.db2.gz HLAMWYTYUSOKTI-UHFFFAOYSA-N 0 0 211.692 2.485 10 0 BEAERN O=c1c(Cl)c(Cl)cnn1Cc1ccoc1 ZINC000162903680 371881091 /nfs/dbraw/zinc/88/10/91/371881091.db2.gz JBPZVPDBESPFHK-UHFFFAOYSA-N 0 0 245.065 2.191 10 0 BEAERN C[C@@H]1Sc2nc(Cl)ccc2NC1=O ZINC000162761001 371841230 /nfs/dbraw/zinc/84/12/30/371841230.db2.gz XRJPGBVLYYZBCM-BYPYZUCNSA-N 0 0 214.677 2.168 10 0 BEAERN OC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000132867059 371939597 /nfs/dbraw/zinc/93/95/97/371939597.db2.gz AHVJGRYYWIJLNI-QMMMGPOBSA-N 0 0 207.056 2.019 10 0 BEAERN C[NH+]1CCC(c2cscc2C(=O)[O-])CC1 ZINC000132734290 371910386 /nfs/dbraw/zinc/91/03/86/371910386.db2.gz HBRFOHADJVYQCQ-UHFFFAOYSA-N 0 0 225.313 2.256 10 0 BEAERN Fc1cc(NC[C@@H]2CCCOC2)ccn1 ZINC000227642902 371912957 /nfs/dbraw/zinc/91/29/57/371912957.db2.gz LWNAYSPXZVJYPD-VIFPVBQESA-N 0 0 210.252 2.059 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1ccnc(F)c1 ZINC000227643155 371912959 /nfs/dbraw/zinc/91/29/59/371912959.db2.gz NSKFRMHKGLJICF-UWVGGRQHSA-N 0 0 210.252 2.200 10 0 BEAERN C[C@H]1SCCN(c2ncc(C=O)s2)[C@@H]1C ZINC000132755448 371916082 /nfs/dbraw/zinc/91/60/82/371916082.db2.gz DCVGFCJFMSOJHF-HTQZYQBOSA-N 0 0 242.369 2.286 10 0 BEAERN Cc1cnccc1C(=O)Cc1nccs1 ZINC000132792221 371923424 /nfs/dbraw/zinc/92/34/24/371923424.db2.gz XTYBNZCUKFWKOL-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN CCc1cnccc1C(=O)c1ccoc1 ZINC000132802086 371925103 /nfs/dbraw/zinc/92/51/03/371925103.db2.gz XJEZRTRWKUTYHQ-UHFFFAOYSA-N 0 0 201.225 2.468 10 0 BEAERN COc1ccc(O)c(C(C)=O)c1Br ZINC000217489159 371963635 /nfs/dbraw/zinc/96/36/35/371963635.db2.gz IVQLMQRGJSDIFP-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN C[C@]1([C@H](NN)c2ccoc2)CCCS1 ZINC000132995530 371965717 /nfs/dbraw/zinc/96/57/17/371965717.db2.gz DPQDIMLIEKXJCK-NXEZZACHSA-N 0 0 212.318 2.070 10 0 BEAERN Nc1c(Cl)scc1[C@H]1CCOC1 ZINC000133004082 371968026 /nfs/dbraw/zinc/96/80/26/371968026.db2.gz WNCZACTXOVCXEQ-YFKPBYRVSA-N 0 0 203.694 2.488 10 0 BEAERN C[C@@H]1SCC[C@@H]1Nc1ncc(N)s1 ZINC000306378476 372015749 /nfs/dbraw/zinc/01/57/49/372015749.db2.gz GYTOMMBPRABRDX-WDSKDSINSA-N 0 0 215.347 2.031 10 0 BEAERN COc1ccncc1[C@@H]1CCCCC1=O ZINC000306724577 372059892 /nfs/dbraw/zinc/05/98/92/372059892.db2.gz IYURCIPXOVQCKT-VIFPVBQESA-N 0 0 205.257 2.317 10 0 BEAERN Cc1cnc(Cl)nc1N[C@@H]1CCSC1 ZINC000231379252 372022318 /nfs/dbraw/zinc/02/23/18/372022318.db2.gz SAGVAZBSHYOLKI-SSDOTTSWSA-N 0 0 229.736 2.356 10 0 BEAERN O=C(C(F)F)N1C[C@H]2CCCCC[C@H]21 ZINC000375733791 181854583 /nfs/dbraw/zinc/85/45/83/181854583.db2.gz CMLUDJMRRMAYDU-HTQZYQBOSA-N 0 0 203.232 2.043 10 0 BEAERN C[C@H](c1nnc2cncc(Cl)n21)C1CC1 ZINC000163712485 372037088 /nfs/dbraw/zinc/03/70/88/372037088.db2.gz IWIJBGFARVWFLO-LURJTMIESA-N 0 0 222.679 2.291 10 0 BEAERN C[C@H](c1nnc2cc(Cl)ncn21)C1CC1 ZINC000163711490 372037579 /nfs/dbraw/zinc/03/75/79/372037579.db2.gz RSBHERQSMGWPSL-LURJTMIESA-N 0 0 222.679 2.291 10 0 BEAERN C[C@@H](NOCc1ccccc1)C(F)F ZINC000228519150 372040860 /nfs/dbraw/zinc/04/08/60/372040860.db2.gz RSYUEECGLKSFJC-MRVPVSSYSA-N 0 0 201.216 2.361 10 0 BEAERN C[C@H]1C[C@@H]1Nc1cnc(Br)cn1 ZINC000306631326 372047438 /nfs/dbraw/zinc/04/74/38/372047438.db2.gz NGVQPXHKKLVCDX-WDSKDSINSA-N 0 0 228.093 2.059 10 0 BEAERN Cc1c(N)cccc1SC(C)(C)CO ZINC000306680233 372054730 /nfs/dbraw/zinc/05/47/30/372054730.db2.gz KBCZQWGFZPWSOB-UHFFFAOYSA-N 0 0 211.330 2.440 10 0 BEAERN CC[S@](C)(=O)=Nc1ccc(N)cc1F ZINC000306712832 372058646 /nfs/dbraw/zinc/05/86/46/372058646.db2.gz USPZOZSSILPTTI-AWEZNQCLSA-N 0 0 216.281 2.157 10 0 BEAERN CC(C)CN1C(=S)N=NC1[C@H]1C[C@H]1C ZINC000228212652 372004863 /nfs/dbraw/zinc/00/48/63/372004863.db2.gz QCQXXJHGFIAYFR-SFYZADRCSA-N 0 0 211.334 2.346 10 0 BEAERN CCCn1cnnc1-c1csc(C)n1 ZINC000228236471 372005722 /nfs/dbraw/zinc/00/57/22/372005722.db2.gz HZBZNKJOCOUSSY-UHFFFAOYSA-N 0 0 208.290 2.120 10 0 BEAERN CCn1cnnc1-c1ccncc1Cl ZINC000228234050 372006398 /nfs/dbraw/zinc/00/63/98/372006398.db2.gz YMEGWZLDSLMMJX-UHFFFAOYSA-N 0 0 208.652 2.013 10 0 BEAERN Fc1ccc(NCC2OCCO2)cc1Cl ZINC000307327071 372111112 /nfs/dbraw/zinc/11/11/12/372111112.db2.gz JHIOMFDAFRPBRZ-UHFFFAOYSA-N 0 0 231.654 2.264 10 0 BEAERN Cc1cnc(CNc2nsnc2Cl)o1 ZINC000231671658 372070227 /nfs/dbraw/zinc/07/02/27/372070227.db2.gz LSOYEGBDARCNQF-UHFFFAOYSA-N 0 0 230.680 2.100 10 0 BEAERN CC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000058603513 372070267 /nfs/dbraw/zinc/07/02/67/372070267.db2.gz KEFISZDIPXYONR-SFYZADRCSA-N 0 0 209.211 2.244 10 0 BEAERN C[C@H](NC1=NC[C@H](C)S1)C(C)(F)F ZINC000306837000 372072398 /nfs/dbraw/zinc/07/23/98/372072398.db2.gz VGGVZYDIRLEGIF-WDSKDSINSA-N 0 0 208.277 2.111 10 0 BEAERN COC(=O)[C@@H]1CC(F)(F)c2cc(F)ccc2O1 ZINC000606303031 372092330 /nfs/dbraw/zinc/09/23/30/372092330.db2.gz MMFSSIKNQWHPMB-VIFPVBQESA-N 0 0 246.184 2.242 10 0 BEAERN COC(=O)[C@@H]1C[C@@H](F)C[C@@H](C(F)(F)F)C1 ZINC000606303266 372092681 /nfs/dbraw/zinc/09/26/81/372092681.db2.gz CQNHNRQHWAWXLK-LYFYHCNISA-N 0 0 228.185 2.476 10 0 BEAERN COC(=O)[C@H]1C[C@@H]2C[C@@H](F)CC[C@H]2C1 ZINC000606303436 372093461 /nfs/dbraw/zinc/09/34/61/372093461.db2.gz FKFCPOWZHKWWCN-JLIMGVALSA-N 0 0 200.253 2.324 10 0 BEAERN Cc1cnc(Cl)cc1SCCO ZINC000133748431 372101041 /nfs/dbraw/zinc/10/10/41/372101041.db2.gz JCUHLYICEQUCOT-UHFFFAOYSA-N 0 0 203.694 2.128 10 0 BEAERN Nc1ccc([C@@H](O)C2CC2)c(Br)c1 ZINC000307416304 372121278 /nfs/dbraw/zinc/12/12/78/372121278.db2.gz YQQKFQZIEHKHID-JTQLQIEISA-N 0 0 242.116 2.475 10 0 BEAERN C[C@@H]1C[C@H](C)N1Cc1cc(Br)no1 ZINC000307622781 372133213 /nfs/dbraw/zinc/13/32/13/372133213.db2.gz HDAJTJTUKYQQHA-KNVOCYPGSA-N 0 0 245.120 2.420 10 0 BEAERN C[C@H](Nc1cc(Cl)ncn1)c1ncc[nH]1 ZINC000229338824 372144133 /nfs/dbraw/zinc/14/41/33/372144133.db2.gz TVEJJSJYEZWDLK-LURJTMIESA-N 0 0 223.667 2.026 10 0 BEAERN CC(C)[C@@H](C)C(=O)Nc1nccc(Cl)n1 ZINC000232694230 372153229 /nfs/dbraw/zinc/15/32/29/372153229.db2.gz CCLGKXYJKKIETH-SSDOTTSWSA-N 0 0 227.695 2.361 10 0 BEAERN NN[C@H](C1CCCC1)[C@@H]1CCCCS1 ZINC000229674746 372181187 /nfs/dbraw/zinc/18/11/87/372181187.db2.gz WUGQHGVGOVHEDL-WDEREUQCSA-N 0 0 214.378 2.294 10 0 BEAERN CC(=O)c1ccc(N2CCCCC2)cn1 ZINC000134211501 372181238 /nfs/dbraw/zinc/18/12/38/372181238.db2.gz LJCQNLNYACYIPG-UHFFFAOYSA-N 0 0 204.273 2.275 10 0 BEAERN C[C@@H](NN(C)C)c1ccc(F)c(F)c1 ZINC000134143851 372168885 /nfs/dbraw/zinc/16/88/85/372168885.db2.gz PVYHYGXRTRNBLQ-SSDOTTSWSA-N 0 0 200.232 2.092 10 0 BEAERN Cc1cscc1[C@@H](NN)c1ccoc1 ZINC000229600645 372169517 /nfs/dbraw/zinc/16/95/17/372169517.db2.gz GMLVTMWWZBECCS-JTQLQIEISA-N 0 0 208.286 2.202 10 0 BEAERN CN(C)NCc1ccccc1Br ZINC000134206433 372179246 /nfs/dbraw/zinc/17/92/46/372179246.db2.gz IBYMKCSUELJZLS-UHFFFAOYSA-N 0 0 229.121 2.015 10 0 BEAERN Clc1nc(Cl)nc(-c2cnsc2)n1 ZINC000404938329 372124827 /nfs/dbraw/zinc/12/48/27/372124827.db2.gz NBKPDENJQBYGBH-UHFFFAOYSA-N 0 0 233.083 2.302 10 0 BEAERN NN[C@H](c1ccsc1)[C@@H]1CCCS1 ZINC000229663715 372179766 /nfs/dbraw/zinc/17/97/66/372179766.db2.gz UYWROQAWGDUTIJ-DTWKUNHWSA-N 0 0 214.359 2.148 10 0 BEAERN OC1(CNc2ccnc(Cl)c2)CCCC1 ZINC000229717343 372183980 /nfs/dbraw/zinc/18/39/80/372183980.db2.gz FVZXKVMQMDCHIP-UHFFFAOYSA-N 0 0 226.707 2.452 10 0 BEAERN NN[C@H](c1ccc(F)cc1)C(F)(F)Cl ZINC000229808136 372195707 /nfs/dbraw/zinc/19/57/07/372195707.db2.gz UIKIMIYYRBKCOC-SSDOTTSWSA-N 0 0 224.613 2.162 10 0 BEAERN COC(=O)c1snc(-c2cccs2)c1N ZINC000059546375 372195969 /nfs/dbraw/zinc/19/59/69/372195969.db2.gz MIVLOGINYYSWGI-UHFFFAOYSA-N 0 0 240.309 2.240 10 0 BEAERN Cc1ccc([C@@H](NN)C(F)(F)Cl)cc1 ZINC000229805944 372196097 /nfs/dbraw/zinc/19/60/97/372196097.db2.gz QCIOEDNQDOFSSB-MRVPVSSYSA-N 0 0 220.650 2.331 10 0 BEAERN Cc1ccc([C@@H](NN)C(F)F)cc1C ZINC000229803281 372196270 /nfs/dbraw/zinc/19/62/70/372196270.db2.gz FOEZTHGQSGKFPM-SECBINFHSA-N 0 0 200.232 2.073 10 0 BEAERN Cc1ccccc1[C@@H](NN)C(F)(F)Cl ZINC000229805278 372196402 /nfs/dbraw/zinc/19/64/02/372196402.db2.gz OCHHTBLVHKHZGG-MRVPVSSYSA-N 0 0 220.650 2.331 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc2c1CCC2 ZINC000171045642 372273652 /nfs/dbraw/zinc/27/36/52/372273652.db2.gz OCJWSCYRVZRGCY-RNCFNFMXSA-N 0 0 215.296 2.314 10 0 BEAERN CC(C)CCSCC(=O)N[C@H]1C[C@@H]1C ZINC000171045449 372273989 /nfs/dbraw/zinc/27/39/89/372273989.db2.gz YVJYBMKHAREGSY-UWVGGRQHSA-N 0 0 215.362 2.290 10 0 BEAERN CC[C@@]1(O)CCCN(c2nccnc2C(C)C)C1 ZINC000631487655 372390505 /nfs/dbraw/zinc/39/05/05/372390505.db2.gz YGXBSGQFRTYHQN-CQSZACIVSA-N 0 0 249.358 2.341 10 0 BEAERN CCOC(=O)CCCCCCn1ccnc1 ZINC000038337230 372539338 /nfs/dbraw/zinc/53/93/38/372539338.db2.gz IGQBGUMGRVQYDB-UHFFFAOYSA-N 0 0 224.304 2.397 10 0 BEAERN Cc1c(C)c(C(N)=O)ccc1Br ZINC000140331130 372573607 /nfs/dbraw/zinc/57/36/07/372573607.db2.gz UHVBBAYRBBDZNU-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN O=C(CN1CCCC1)c1cc(F)ccc1F ZINC000034988763 181958733 /nfs/dbraw/zinc/95/87/33/181958733.db2.gz QMFHBAZLZICSLY-UHFFFAOYSA-N 0 0 225.238 2.243 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCS[C@@H](C)C1 ZINC000171730499 372743747 /nfs/dbraw/zinc/74/37/47/372743747.db2.gz MBEMINCYZXGAKP-VHSXEESVSA-N 0 0 230.377 2.178 10 0 BEAERN Nc1cc(-c2cccnc2)cnc1Cl ZINC000008764199 372888203 /nfs/dbraw/zinc/88/82/03/372888203.db2.gz IRFLGECFOCPDDX-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CC(C)O[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000141179940 372889230 /nfs/dbraw/zinc/88/92/30/372889230.db2.gz DWOZQGAGIUWJHN-JTQLQIEISA-N 0 0 229.320 2.421 10 0 BEAERN O=C(CSc1ccncn1)c1ccc(O)cc1 ZINC000104201744 182010818 /nfs/dbraw/zinc/01/08/18/182010818.db2.gz SBPPDYXNKQWJNC-UHFFFAOYSA-N 0 0 246.291 2.157 10 0 BEAERN C[C@H](O)C[C@@H]1CCc2ccccc2C1=O ZINC000039149298 372885386 /nfs/dbraw/zinc/88/53/86/372885386.db2.gz RXNGIFJXLZZBMP-ONGXEEELSA-N 0 0 204.269 2.203 10 0 BEAERN Cc1cc(NN)c(F)cc1Br ZINC000141406581 372942871 /nfs/dbraw/zinc/94/28/71/372942871.db2.gz OIDJOTJXUQRPRW-UHFFFAOYSA-N 0 0 219.057 2.182 10 0 BEAERN O=C(Cc1ccccn1)c1ccccc1O ZINC000039208406 182046232 /nfs/dbraw/zinc/04/62/32/182046232.db2.gz DMLNZMGINZGXDC-UHFFFAOYSA-N 0 0 213.236 2.213 10 0 BEAERN C[C@@H](O)c1ccc(N)c(Br)c1 ZINC000141600247 372990776 /nfs/dbraw/zinc/99/07/76/372990776.db2.gz RVLYYPBZFVBKQE-RXMQYKEDSA-N 0 0 216.078 2.085 10 0 BEAERN O=C(Cc1ncc[nH]1)c1ccc2c(c1)CCC2 ZINC000036946629 182061515 /nfs/dbraw/zinc/06/15/15/182061515.db2.gz AYSNOVFRWCFYET-UHFFFAOYSA-N 0 0 226.279 2.324 10 0 BEAERN O=C(Cc1ccsc1)Nc1ccccc1CO ZINC000049363171 182058531 /nfs/dbraw/zinc/05/85/31/182058531.db2.gz MOZCPSAMWYHUKR-UHFFFAOYSA-N 0 0 247.319 2.422 10 0 BEAERN O=Cc1cccc(OC2CCOCC2)c1 ZINC000068955399 373097082 /nfs/dbraw/zinc/09/70/82/373097082.db2.gz DVCRSVUVFJNXLZ-UHFFFAOYSA-N 0 0 206.241 2.057 10 0 BEAERN O=C(Cn1cccc1)NC1CCCCCC1 ZINC000004101248 182067577 /nfs/dbraw/zinc/06/75/77/182067577.db2.gz HHFBHCIERIPXLZ-UHFFFAOYSA-N 0 0 220.316 2.327 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)c2ccnn2C)C1 ZINC000069019773 373106269 /nfs/dbraw/zinc/10/62/69/373106269.db2.gz WCZKOTFFEYCDPT-NXEZZACHSA-N 0 0 206.289 2.429 10 0 BEAERN CCn1nccc1-c1cccc(C=O)c1 ZINC000069022571 373106397 /nfs/dbraw/zinc/10/63/97/373106397.db2.gz STKIIMCROGVFSD-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN CCn1ccnc1-c1ccc(C=O)cc1 ZINC000069030761 373109176 /nfs/dbraw/zinc/10/91/76/373109176.db2.gz YFEQRJOGIZFMIU-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN C[C@H](O)c1cc2c(cc1Cl)OCCO2 ZINC000040260027 373141918 /nfs/dbraw/zinc/14/19/18/373141918.db2.gz GYTUUBCIPOCQDC-LURJTMIESA-N 0 0 214.648 2.165 10 0 BEAERN O=C(NC/C=C/c1ccccc1)C1CC1 ZINC000112584201 182087831 /nfs/dbraw/zinc/08/78/31/182087831.db2.gz ACLAZDCOQAQFOP-QPJJXVBHSA-N 0 0 201.269 2.226 10 0 BEAERN C[C@H](C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000245225607 373198538 /nfs/dbraw/zinc/19/85/38/373198538.db2.gz ZDMPFTKSZIQVIC-UTUOFQBUSA-N 0 0 225.332 2.219 10 0 BEAERN C[C@H](CC(=O)[O-])[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225168 373198706 /nfs/dbraw/zinc/19/87/06/373198706.db2.gz OQVWISGFGXGBBL-WOPDTQHZSA-N 0 0 225.332 2.362 10 0 BEAERN O=C(NC1CC1)N1C[C@@H]2CCCCC[C@H]21 ZINC000370253802 182096444 /nfs/dbraw/zinc/09/64/44/182096444.db2.gz ZRNJMVFBTMXFGU-GXSJLCMTSA-N 0 0 208.305 2.123 10 0 BEAERN CC(C)[C@H](C)NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000174962671 205563245 /nfs/dbraw/zinc/56/32/45/205563245.db2.gz DKNRDQZMUKPYRC-GRYCIOLGSA-N 0 0 227.348 2.495 10 0 BEAERN COC[C@@H](C)C(=O)NCC(C)(C)CC(C)C ZINC000175350191 205568537 /nfs/dbraw/zinc/56/85/37/205568537.db2.gz WRYQCYAMSFLNAQ-LLVKDONJSA-N 0 0 229.364 2.457 10 0 BEAERN O=C(NC1CCSCC1)N1C[C@@H]2CCC[C@H]21 ZINC000336526349 182118161 /nfs/dbraw/zinc/11/81/61/182118161.db2.gz BJBFQQKMMJTGHQ-GXSJLCMTSA-N 0 0 240.372 2.076 10 0 BEAERN CCC1(NC(=O)N[C@H](C)[C@H]2CCCO2)CCC1 ZINC000175959279 205580982 /nfs/dbraw/zinc/58/09/82/205580982.db2.gz ZEGGEGQNIXXOKG-GHMZBOCLSA-N 0 0 240.347 2.186 10 0 BEAERN COC(=O)[C@H](N)Cc1cccc(Cl)c1Cl ZINC000069554672 373458217 /nfs/dbraw/zinc/45/82/17/373458217.db2.gz MOCAUOFZWPSBOG-MRVPVSSYSA-N 0 0 248.109 2.036 10 0 BEAERN O=C(NCC1CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182279738 182136295 /nfs/dbraw/zinc/13/62/95/182136295.db2.gz NOAVQKQTSRWQAH-LBPRGKRZSA-N 0 0 248.330 2.056 10 0 BEAERN O=C(NCC1CC1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000371906088 182138204 /nfs/dbraw/zinc/13/82/04/182138204.db2.gz OCYXYUBQQOZBSF-RYUDHWBXSA-N 0 0 222.332 2.371 10 0 BEAERN O=C(NCC1CCCC1)N1C[C@@H]2CCC[C@@H]21 ZINC000336447510 182145140 /nfs/dbraw/zinc/14/51/40/182145140.db2.gz JISGAJXDOZGWSQ-RYUDHWBXSA-N 0 0 222.332 2.371 10 0 BEAERN Cc1ccsc1[C@@H](C)n1nccc1N ZINC000069637116 373563930 /nfs/dbraw/zinc/56/39/30/373563930.db2.gz PCSBIQRXIRRLRX-MRVPVSSYSA-N 0 0 207.302 2.445 10 0 BEAERN O=C(NCCC1=CCCC1)c1ccccn1 ZINC000130931596 182151396 /nfs/dbraw/zinc/15/13/96/182151396.db2.gz LEXQOPZRESCYTN-UHFFFAOYSA-N 0 0 216.284 2.312 10 0 BEAERN N#Cc1cc([N+](=O)[O-])cc(F)c1Br ZINC000142588388 373654481 /nfs/dbraw/zinc/65/44/81/373654481.db2.gz RVYKJGBUOWCCHY-UHFFFAOYSA-N 0 0 245.007 2.368 10 0 BEAERN CC[C@@H](CC(=O)N1CC=CCN1)C(C)(C)C ZINC000633672601 373675547 /nfs/dbraw/zinc/67/55/47/373675547.db2.gz YFQODODFJGIJJM-NSHDSACASA-N 0 0 224.348 2.352 10 0 BEAERN Nc1nn(CCc2cccs2)cc1Cl ZINC000069759629 373718769 /nfs/dbraw/zinc/71/87/69/373718769.db2.gz BUXMWCPUUVAORT-UHFFFAOYSA-N 0 0 227.720 2.423 10 0 BEAERN COc1ccsc1-c1n[nH]c(=S)n1C ZINC000142653779 373750478 /nfs/dbraw/zinc/75/04/78/373750478.db2.gz QLPUPRMMGYXJLX-UHFFFAOYSA-N 0 0 227.314 2.215 10 0 BEAERN Cc1cscc1C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633870086 373828442 /nfs/dbraw/zinc/82/84/42/373828442.db2.gz IVAWISZHYYFLSY-NXEZZACHSA-N 0 0 239.340 2.042 10 0 BEAERN CCCCNC(=O)N[C@H](C)c1ccc(N)cc1 ZINC000037178820 168852700 /nfs/dbraw/zinc/85/27/00/168852700.db2.gz PWAGHEGEYWRSHO-SNVBAGLBSA-N 0 0 235.331 2.429 10 0 BEAERN Cc1cc2c(cc1C)[S@@](=O)C[C@H](C)C2=O ZINC000040973078 373973446 /nfs/dbraw/zinc/97/34/46/373973446.db2.gz NXSBWYXTZOQADL-BJOHPYRUSA-N 0 0 222.309 2.243 10 0 BEAERN CC[C@]1(C)C[C@](O)(C(F)(F)F)CCO1 ZINC000069898453 373973603 /nfs/dbraw/zinc/97/36/03/373973603.db2.gz AIJPIONOQMRXLD-SFYZADRCSA-N 0 0 212.211 2.259 10 0 BEAERN CCC[C@@H]1C[C@](O)(C(F)(F)F)CCO1 ZINC000069898437 373973942 /nfs/dbraw/zinc/97/39/42/373973942.db2.gz ZODOWAPXJZPYMC-SFYZADRCSA-N 0 0 212.211 2.259 10 0 BEAERN Cc1cc2c(cc1C)[S@](=O)C[C@@H](C)C2=O ZINC000040973085 373976030 /nfs/dbraw/zinc/97/60/30/373976030.db2.gz NXSBWYXTZOQADL-PSLIRLAXSA-N 0 0 222.309 2.243 10 0 BEAERN O=C(NCCc1ccsc1)NC1CCC1 ZINC000122868999 182210508 /nfs/dbraw/zinc/21/05/08/182210508.db2.gz MYOZGVVZBRWWCN-UHFFFAOYSA-N 0 0 224.329 2.142 10 0 BEAERN CSCCc1nnc(Br)s1 ZINC000070006027 374109564 /nfs/dbraw/zinc/10/95/64/374109564.db2.gz DOBWSZYJFWJQHZ-UHFFFAOYSA-N 0 0 239.163 2.206 10 0 BEAERN Nc1ccc(C(=O)[C@@H]2CCCCO2)cc1 ZINC000070041785 374114006 /nfs/dbraw/zinc/11/40/06/374114006.db2.gz MUNJWOHKJBALEC-NSHDSACASA-N 0 0 205.257 2.021 10 0 BEAERN Nc1ccc(O[C@@H]2CCOC2)cc1Cl ZINC000070071435 374117990 /nfs/dbraw/zinc/11/79/90/374117990.db2.gz LESPILRSAMFVPQ-MRVPVSSYSA-N 0 0 213.664 2.090 10 0 BEAERN Cc1cc2c(nc(C3CC3)nc2N)s1 ZINC000070157722 374125233 /nfs/dbraw/zinc/12/52/33/374125233.db2.gz RXRJHFHCJZQESA-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1ccon1 ZINC000111049041 182229802 /nfs/dbraw/zinc/22/98/02/182229802.db2.gz CZFNLVWYINTOPM-NWDGAFQWSA-N 0 0 242.278 2.208 10 0 BEAERN CCCc1nccn1-c1nsnc1Cl ZINC000069964283 374102803 /nfs/dbraw/zinc/10/28/03/374102803.db2.gz VRNVDKLCDIHZFK-UHFFFAOYSA-N 0 0 228.708 2.330 10 0 BEAERN O=S1(=O)c2ccccc2[C@@H]2C=CC=C[C@@H]21 ZINC000143220527 374145181 /nfs/dbraw/zinc/14/51/81/374145181.db2.gz BEPGSIQDJDUFBA-ONGXEEELSA-N 0 0 218.277 2.052 10 0 BEAERN O=S1(=O)c2ccccc2[C@@H]2C=CC=C[C@H]21 ZINC000143220372 374145276 /nfs/dbraw/zinc/14/52/76/374145276.db2.gz BEPGSIQDJDUFBA-GXSJLCMTSA-N 0 0 218.277 2.052 10 0 BEAERN CC(C)(O)C(=O)c1ccc2c(c1)CCC2 ZINC000143381923 374172742 /nfs/dbraw/zinc/17/27/42/374172742.db2.gz ZVVRDTDTXOHYAD-UHFFFAOYSA-N 0 0 204.269 2.129 10 0 BEAERN Cc1ccsc1[C@@H](C(=O)[O-])[NH+]1CCCC1 ZINC000041674719 374173166 /nfs/dbraw/zinc/17/31/66/374173166.db2.gz NZAMRYXXOKAGKF-VIFPVBQESA-N 0 0 225.313 2.278 10 0 BEAERN Cc1cccc(C(=O)c2cc[nH]c2)c1N ZINC000070671550 374173250 /nfs/dbraw/zinc/17/32/50/374173250.db2.gz JTTURHIAUFOLPS-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cccs1 ZINC000077206951 182237496 /nfs/dbraw/zinc/23/74/96/182237496.db2.gz BHDLDQSBRTYPJK-NXEZZACHSA-N 0 0 239.340 2.029 10 0 BEAERN Cc1ccn(CC(=O)c2cccs2)n1 ZINC000070685600 374176880 /nfs/dbraw/zinc/17/68/80/374176880.db2.gz GESHEINGWGMIBC-UHFFFAOYSA-N 0 0 206.270 2.136 10 0 BEAERN Cc1c(Cl)cnn1CC(=O)C(C)(C)C ZINC000070703957 374178851 /nfs/dbraw/zinc/17/88/51/374178851.db2.gz ZEKUHOUYJIQAEI-UHFFFAOYSA-N 0 0 214.696 2.460 10 0 BEAERN O=c1c(Cl)c[nH]c2c(F)c(F)ccc12 ZINC000041702145 374179016 /nfs/dbraw/zinc/17/90/16/374179016.db2.gz IRPGSZUAMZWYRR-UHFFFAOYSA-N 0 0 215.586 2.460 10 0 BEAERN FC(F)(F)Cc1nc2cc[nH]cc-2n1 ZINC000070801538 374192079 /nfs/dbraw/zinc/19/20/79/374192079.db2.gz ONANMHJEJUBASD-UHFFFAOYSA-N 0 0 201.151 2.063 10 0 BEAERN Cc1ccc(-c2nc(N)ns2)c(C)c1 ZINC000070838790 374197996 /nfs/dbraw/zinc/19/79/96/374197996.db2.gz XUHHBRQSFKCLMK-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cc(C)cc(-c2nc(N)ns2)c1 ZINC000070839296 374198585 /nfs/dbraw/zinc/19/85/85/374198585.db2.gz RGXHUVADMITOPO-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CCc1ccc(-c2nc(N)ns2)s1 ZINC000070839284 374198814 /nfs/dbraw/zinc/19/88/14/374198814.db2.gz OZEVDDNJKCJCOI-UHFFFAOYSA-N 0 0 211.315 2.411 10 0 BEAERN C[C@@H](O)c1csc(N2CCC[C@@H]2C)n1 ZINC000070846688 374204902 /nfs/dbraw/zinc/20/49/02/374204902.db2.gz FPTFXQOSPMKURC-JGVFFNPUSA-N 0 0 212.318 2.185 10 0 BEAERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1ccon1 ZINC000111049036 182246877 /nfs/dbraw/zinc/24/68/77/182246877.db2.gz CZFNLVWYINTOPM-VXGBXAGGSA-N 0 0 242.278 2.208 10 0 BEAERN CC[C@@]1(C)CSC(NCC(F)(F)F)=N1 ZINC000070890261 374224081 /nfs/dbraw/zinc/22/40/81/374224081.db2.gz DYGRSMMGLDCRAE-ZETCQYMHSA-N 0 0 226.267 2.410 10 0 BEAERN CCn1cc(C[C@H]2CCCC(=O)C2)cn1 ZINC000070737437 374185299 /nfs/dbraw/zinc/18/52/99/374185299.db2.gz VPYQYXNOWIOYPA-SNVBAGLBSA-N 0 0 206.289 2.205 10 0 BEAERN C[C@@H]1CC[C@@]([NH2+]C2CCCC2)(C(=O)[O-])C1 ZINC000070764032 374187221 /nfs/dbraw/zinc/18/72/21/374187221.db2.gz KSGWCJKVTXPJLE-SKDRFNHKSA-N 0 0 211.305 2.162 10 0 BEAERN O=C(N[C@@H]1CCCCC[C@H]1O)c1ccsc1 ZINC000130875672 182292521 /nfs/dbraw/zinc/29/25/21/182292521.db2.gz QHXHOIGRNPDUHZ-GHMZBOCLSA-N 0 0 239.340 2.172 10 0 BEAERN O=C(N[C@H]1CCC12CCCC2)[C@@H]1CCCCO1 ZINC000336515950 182326903 /nfs/dbraw/zinc/32/69/03/182326903.db2.gz MPWDONAVLYGTBM-RYUDHWBXSA-N 0 0 237.343 2.395 10 0 BEAERN O=C(N[C@H]1CCCOC1)c1ccc2[nH]ccc2c1 ZINC000104213542 182330801 /nfs/dbraw/zinc/33/08/01/182330801.db2.gz WGQUVERMWKZFRZ-LBPRGKRZSA-N 0 0 244.294 2.077 10 0 BEAERN O=C(Nc1cccc(Br)n1)C1CC1 ZINC000035678833 182366299 /nfs/dbraw/zinc/36/62/99/182366299.db2.gz YLVYBPQBAIKETD-UHFFFAOYSA-N 0 0 241.088 2.193 10 0 BEAERN O=C(Nc1ccccc1)[C@H]1CCCc2n[nH]cc21 ZINC000131624263 182376680 /nfs/dbraw/zinc/37/66/80/182376680.db2.gz CYGAQSHUSQWSLX-NSHDSACASA-N 0 0 241.294 2.468 10 0 BEAERN O=C(Nc1ccnc(Br)c1)C1CC1 ZINC000095709478 182384720 /nfs/dbraw/zinc/38/47/20/182384720.db2.gz IVUFRPOCZOXASB-UHFFFAOYSA-N 0 0 241.088 2.193 10 0 BEAERN O=C(Nc1ccncc1)c1ccc(O)cc1 ZINC000019837706 182386802 /nfs/dbraw/zinc/38/68/02/182386802.db2.gz ZNJFEJPJJQZPDI-UHFFFAOYSA-N 0 0 214.224 2.040 10 0 BEAERN O=C(Nc1ccon1)c1ccc2c(c1)CCCN2 ZINC000061684291 182388912 /nfs/dbraw/zinc/38/89/12/182388912.db2.gz LEFPZFMIQWGOFV-UHFFFAOYSA-N 0 0 243.266 2.285 10 0 BEAERN O=C(Nc1nccc2nc[nH]c21)c1ccccc1 ZINC000089203057 182399977 /nfs/dbraw/zinc/39/99/77/182399977.db2.gz BAWMDQMTNCQNSJ-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1[nH]nc2ncccc21)c1ccccc1 ZINC000082278639 182396881 /nfs/dbraw/zinc/39/68/81/182396881.db2.gz CHKUMUQCLHVRFV-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C([O-])C1([NH2+]C2CCCCC2)CCCC1 ZINC000037971644 182423671 /nfs/dbraw/zinc/42/36/71/182423671.db2.gz AWCZWPYORASLDG-UHFFFAOYSA-N 0 0 211.305 2.306 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)c1cccs1 ZINC000041672593 182502791 /nfs/dbraw/zinc/50/27/91/182502791.db2.gz QUIKWKAEIKCQMR-JTQLQIEISA-N 0 0 225.313 2.406 10 0 BEAERN O=C([O-])[C@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000070502333 182537082 /nfs/dbraw/zinc/53/70/82/182537082.db2.gz YMQFHJQIRXDYCB-VHSXEESVSA-N 0 0 239.340 2.481 10 0 BEAERN O=C([C@@H]1CCOC1)[C@H]1CCOc2ccccc21 ZINC000104197590 182640365 /nfs/dbraw/zinc/64/03/65/182640365.db2.gz BJYAEBLJTIBRTD-PWSUYJOCSA-N 0 0 232.279 2.158 10 0 BEAERN O=C([C@H]1CCCO1)N1CCC[C@H]1c1ccco1 ZINC000116043606 182636981 /nfs/dbraw/zinc/63/69/81/182636981.db2.gz OLUWVXWIXGCDBU-CMPLNLGQSA-N 0 0 235.283 2.122 10 0 BEAERN O=C(c1ccco1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000125474405 182686162 /nfs/dbraw/zinc/68/61/62/182686162.db2.gz RVDCHRBSSOLJRE-FZMZJTMJSA-N 0 0 249.310 2.047 10 0 BEAERN O=C(c1ccccc1Cl)n1ccnc1 ZINC000039223758 182678955 /nfs/dbraw/zinc/67/89/55/182678955.db2.gz LCBBPWLGCUSTCH-UHFFFAOYSA-N 0 0 206.632 2.225 10 0 BEAERN CCCCOCCNc1cc(C)c(C)nn1 ZINC000302824614 168904094 /nfs/dbraw/zinc/90/40/94/168904094.db2.gz XHDGZYYVCRTWNK-UHFFFAOYSA-N 0 0 223.320 2.322 10 0 BEAERN O=C1C[C@@H](Sc2ccc(Cl)cc2)N1 ZINC000006093161 182777232 /nfs/dbraw/zinc/77/72/32/182777232.db2.gz VYTVONIYWVXPHG-SECBINFHSA-N 0 0 213.689 2.278 10 0 BEAERN O=C1N[C@@H]2CCCc3ccccc3[C@@H]2O1 ZINC000026648440 182819521 /nfs/dbraw/zinc/81/95/21/182819521.db2.gz DQSCEILIFMVKEE-MNOVXSKESA-N 0 0 203.241 2.172 10 0 BEAERN O=C1c2ccccc2C[C@H]1n1nnc2ccccc21 ZINC000005685411 182845766 /nfs/dbraw/zinc/84/57/66/182845766.db2.gz NYWQLLWBLZYQJY-CQSZACIVSA-N 0 0 249.273 2.411 10 0 BEAERN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]12 ZINC000013465813 182839677 /nfs/dbraw/zinc/83/96/77/182839677.db2.gz ZCJHLBHJGLCVRU-GOBZBUEJSA-N 0 0 240.302 2.015 10 0 BEAERN O=Cc1c[nH]c2ccc(C(F)(F)F)nc12 ZINC000044700076 182861117 /nfs/dbraw/zinc/86/11/17/182861117.db2.gz CFCDVYIKYWQPAI-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN O=Cc1ccc(N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000083344388 182868855 /nfs/dbraw/zinc/86/88/55/182868855.db2.gz FJGABYCCLHNAGV-NXEZZACHSA-N 0 0 205.257 2.328 10 0 BEAERN O=Cc1ccccc1-c1cccnc1C=O ZINC000075620288 182872078 /nfs/dbraw/zinc/87/20/78/182872078.db2.gz PKRLHZFTLNWYDH-UHFFFAOYSA-N 0 0 211.220 2.374 10 0 BEAERN O=Cc1scc(Br)c1C=O ZINC000072266088 182877487 /nfs/dbraw/zinc/87/74/87/182877487.db2.gz UCGHJPAWVUCIDP-UHFFFAOYSA-N 0 0 219.059 2.136 10 0 BEAERN CCCCO[C@H](C)C(=O)N[C@@H](C)C(C)C ZINC000123897280 168913639 /nfs/dbraw/zinc/91/36/39/168913639.db2.gz HDVIYUVGJBQCJE-WDEREUQCSA-N 0 0 215.337 2.352 10 0 BEAERN CCCCOc1cc(N)nc(CCC)n1 ZINC000082483432 168915198 /nfs/dbraw/zinc/91/51/98/168915198.db2.gz SMGDCZMTAKSRMD-UHFFFAOYSA-N 0 0 209.293 2.190 10 0 BEAERN CCCCS(=O)(=O)C[C@H]1CC1(Cl)Cl ZINC000003652309 168922641 /nfs/dbraw/zinc/92/26/41/168922641.db2.gz TXNREMHVOLYCPS-SSDOTTSWSA-N 0 0 245.171 2.395 10 0 BEAERN O=[S@](c1ccccc1)c1ccccn1 ZINC000017111426 182968055 /nfs/dbraw/zinc/96/80/55/182968055.db2.gz FVKSIMVGYRWVRD-AWEZNQCLSA-N 0 0 203.266 2.248 10 0 BEAERN O=c1[nH]cc(-c2ccc(F)c(F)c2)s1 ZINC000072191809 182975656 /nfs/dbraw/zinc/97/56/56/182975656.db2.gz DJJVDPHCMHFYFB-UHFFFAOYSA-N 0 0 213.208 2.382 10 0 BEAERN CCCC[C@@H](C)NC(=O)c1cc(N)cnc1C ZINC000050886639 168947270 /nfs/dbraw/zinc/94/72/70/168947270.db2.gz OXZNRMCNKFASCX-SECBINFHSA-N 0 0 235.331 2.281 10 0 BEAERN O=c1ccc2cc(F)c(F)c(F)c2o1 ZINC000075882718 183000835 /nfs/dbraw/zinc/00/08/35/183000835.db2.gz XZHXKMLJCMSKID-UHFFFAOYSA-N 0 0 200.115 2.210 10 0 BEAERN O=c1cccc2n1Cc1cc3ccccc3nc1-2 ZINC000037868718 183001905 /nfs/dbraw/zinc/00/19/05/183001905.db2.gz YJSPDKPPDSKBQZ-UHFFFAOYSA-N 0 0 234.258 2.425 10 0 aggregator BEAERN O=c1ccn(CCNc2ccccc2F)cc1 ZINC000061628658 183003230 /nfs/dbraw/zinc/00/32/30/183003230.db2.gz IBQRZDIIJDLIAJ-UHFFFAOYSA-N 0 0 232.258 2.100 10 0 BEAERN OC1CCC(Nc2ccc3c(c2)OCO3)CC1 ZINC000082711509 183028433 /nfs/dbraw/zinc/02/84/33/183028433.db2.gz NUICDRYETNMGBV-UHFFFAOYSA-N 0 0 235.283 2.131 10 0 BEAERN OC1(O)C=C(Cl)C(c2ccccc2)=CC1 ZINC000039119178 183021339 /nfs/dbraw/zinc/02/13/39/183021339.db2.gz JHADWQJRXXNSIQ-UHFFFAOYSA-N 0 0 222.671 2.277 10 0 BEAERN OCCCSc1nc2ccccc2[nH]1 ZINC000035650370 183062806 /nfs/dbraw/zinc/06/28/06/183062806.db2.gz MQTZCJWMQXKLFX-UHFFFAOYSA-N 0 0 208.286 2.037 10 0 BEAERN OCCOCCNc1ccc(C(F)(F)F)cc1 ZINC000040228835 183086392 /nfs/dbraw/zinc/08/63/92/183086392.db2.gz XRMKAMQOCWCESU-UHFFFAOYSA-N 0 0 249.232 2.126 10 0 BEAERN OCC[C@@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000229349399 183094934 /nfs/dbraw/zinc/09/49/34/183094934.db2.gz PKRCCHMXJBAHEK-LBPRGKRZSA-N 0 0 242.322 2.444 10 0 BEAERN OCC[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000310027919 183095395 /nfs/dbraw/zinc/09/53/95/183095395.db2.gz ISGCDDSHIHSREW-QZDDGCDVSA-N 0 0 231.339 2.404 10 0 BEAERN OC[C@@H]1CCCN1c1ccnc(C(F)(F)F)c1 ZINC000283708910 183121334 /nfs/dbraw/zinc/12/13/34/183121334.db2.gz DOFIREUOKNDPMQ-VIFPVBQESA-N 0 0 246.232 2.062 10 0 BEAERN OCCn1cnc2cc(C(F)(F)F)ccc21 ZINC000040400860 183103527 /nfs/dbraw/zinc/10/35/27/183103527.db2.gz WQJSZJUITXUXKB-UHFFFAOYSA-N 0 0 230.189 2.047 10 0 BEAERN OC[C@@H]1CCCN1c1ccc2ccccc2n1 ZINC000038976343 183121101 /nfs/dbraw/zinc/12/11/01/183121101.db2.gz FIBOCZLMWZQYBO-LBPRGKRZSA-N 0 0 228.295 2.196 10 0 BEAERN OC[C@@H](Nc1ccccc1Cl)[C@H]1CCOC1 ZINC000038113501 183110453 /nfs/dbraw/zinc/11/04/53/183110453.db2.gz VUAIFYBMOOVCKD-JOYOIKCWSA-N 0 0 241.718 2.149 10 0 BEAERN CCCCc1cc(C(=O)OC)c(N)s1 ZINC000036673619 169017641 /nfs/dbraw/zinc/01/76/41/169017641.db2.gz AKYABZXMWIJNCC-UHFFFAOYSA-N 0 0 213.302 2.460 10 0 BEAERN CCCCc1ccc(N)c(C(=O)OC)c1 ZINC000037475301 169020946 /nfs/dbraw/zinc/02/09/46/169020946.db2.gz ZPMOVEOMCPUFBZ-UHFFFAOYSA-N 0 0 207.273 2.398 10 0 BEAERN OC[C@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000091362117 183142427 /nfs/dbraw/zinc/14/24/27/183142427.db2.gz YWKPGCMQTYETSP-LBPRGKRZSA-N 0 0 232.258 2.366 10 0 BEAERN OC[C@H](Nc1ccccc1F)[C@@H]1CCCOC1 ZINC000104313199 183142931 /nfs/dbraw/zinc/14/29/31/183142931.db2.gz QIXYGEWRDCEWCI-MFKMUULPSA-N 0 0 239.290 2.025 10 0 BEAERN CCCCc1nnc([C@H](N)c2ccccc2)o1 ZINC000050283992 169029046 /nfs/dbraw/zinc/02/90/46/169029046.db2.gz GIWWBQQXNIUXRZ-GFCCVEGCSA-N 0 0 231.299 2.460 10 0 BEAERN OC[C@H]1CCCC[C@H]1Nc1ncncc1Cl ZINC000221246568 183149033 /nfs/dbraw/zinc/14/90/33/183149033.db2.gz XPDQJZRVKKKVEX-PSASIEDQSA-N 0 0 241.722 2.093 10 0 BEAERN OC[C@H]1CCCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000224413923 183149266 /nfs/dbraw/zinc/14/92/66/183149266.db2.gz JKOLMBXIWYXNKS-SCZZXKLOSA-N 0 0 241.722 2.093 10 0 BEAERN OCc1ccc(COc2cccc(F)c2)o1 ZINC000041239338 183164812 /nfs/dbraw/zinc/16/48/12/183164812.db2.gz DCRDNKXMYPFFHF-UHFFFAOYSA-N 0 0 222.215 2.490 10 0 BEAERN CCCN(C(=O)[C@@H]1CCCO1)c1cccc(N)c1 ZINC000063108634 169044964 /nfs/dbraw/zinc/04/49/64/169044964.db2.gz SQIQELOFILLFDJ-ZDUSSCGKSA-N 0 0 248.326 2.191 10 0 BEAERN OC[C@H]1Cc2ccc(Cl)c(Cl)c2O1 ZINC000039278452 183156890 /nfs/dbraw/zinc/15/68/90/183156890.db2.gz HGKIWERWQCUCQE-ZCFIWIBFSA-N 0 0 219.067 2.289 10 0 BEAERN OCc1ccc(-c2cc(O)cc(O)c2)cc1 ZINC000045261456 183162163 /nfs/dbraw/zinc/16/21/63/183162163.db2.gz PJXPKCNUPBSEJB-UHFFFAOYSA-N 0 0 216.236 2.257 10 0 BEAERN O[C@@H](COC=C(F)F)c1ccccc1 ZINC000068576620 183181838 /nfs/dbraw/zinc/18/18/38/183181838.db2.gz ZKNZQGOLWFCNCZ-VIFPVBQESA-N 0 0 200.184 2.475 10 0 BEAERN O[C@@H](CNc1ccccn1)C1CCCC1 ZINC000301292556 183181898 /nfs/dbraw/zinc/18/18/98/183181898.db2.gz PWJGSHYRVHYZAI-NSHDSACASA-N 0 0 206.289 2.045 10 0 BEAERN O[C@@H](Cc1ccc(F)cc1)c1cccnc1 ZINC000037464754 183183363 /nfs/dbraw/zinc/18/33/63/183183363.db2.gz IKXUVYRDLYKSCY-ZDUSSCGKSA-N 0 0 217.243 2.497 10 0 BEAERN OCc1ccc(NCc2ccccn2)cc1 ZINC000083347827 183166661 /nfs/dbraw/zinc/16/66/61/183166661.db2.gz YYURJRVLXIOSCM-UHFFFAOYSA-N 0 0 214.268 2.186 10 0 BEAERN OCc1cccc(-c2ccc(Cl)cn2)n1 ZINC000072204246 183166991 /nfs/dbraw/zinc/16/69/91/183166991.db2.gz BDFHUDJQURIQNP-UHFFFAOYSA-N 0 0 220.659 2.289 10 0 BEAERN OCc1cccc(OCc2ccccn2)c1 ZINC000020031682 183168111 /nfs/dbraw/zinc/16/81/11/183168111.db2.gz MIBFMMHIZFTXHR-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN OCc1cnc2c(Cl)cc(Cl)cn12 ZINC000036291658 183168865 /nfs/dbraw/zinc/16/88/65/183168865.db2.gz DVEDNRUVORQGEI-UHFFFAOYSA-N 0 0 217.055 2.133 10 0 BEAERN OCc1cnc(N2CCCCCC2)s1 ZINC000054910422 183169679 /nfs/dbraw/zinc/16/96/79/183169679.db2.gz JEBYCKOJRXTZSZ-UHFFFAOYSA-N 0 0 212.318 2.016 10 0 BEAERN OCc1coc(CCc2ccc(F)cc2)n1 ZINC000090728341 183170363 /nfs/dbraw/zinc/17/03/63/183170363.db2.gz QHTARBZDAQQFPO-UHFFFAOYSA-N 0 0 221.231 2.091 10 0 BEAERN OCc1nc2c(s1)CCc1ccccc1-2 ZINC000045205980 183170968 /nfs/dbraw/zinc/17/09/68/183170968.db2.gz QQYUDISQJJSSIH-UHFFFAOYSA-N 0 0 217.293 2.401 10 0 BEAERN OCc1sc(Cl)nc1C(F)(F)F ZINC000039348370 183171302 /nfs/dbraw/zinc/17/13/02/183171302.db2.gz CARVBTDDTSNCMZ-UHFFFAOYSA-N 0 0 217.599 2.308 10 0 BEAERN CC(C)(C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107083780 166626041 /nfs/dbraw/zinc/62/60/41/166626041.db2.gz ASIWFBLIEOZYOC-UHFFFAOYSA-N 0 0 245.282 2.265 10 0 BEAERN O[C@@H](CCc1ccccn1)c1cccnc1 ZINC000062167193 183174108 /nfs/dbraw/zinc/17/41/08/183174108.db2.gz HGYHZGNVBRJXQU-ZDUSSCGKSA-N 0 0 214.268 2.143 10 0 BEAERN O[C@@H]1CCC[C@H](Oc2ccc3n[nH]cc3c2)C1 ZINC000089196711 183196253 /nfs/dbraw/zinc/19/62/53/183196253.db2.gz DVFXNPCOKKRVMJ-MNOVXSKESA-N 0 0 232.283 2.245 10 0 BEAERN O[C@H]1CC[C@H](Nc2cnc3c(n2)CCCC3)CC1 ZINC000328675335 183202836 /nfs/dbraw/zinc/20/28/36/183202836.db2.gz QTABYPXTGJCWCX-XYPYZODXSA-N 0 0 247.342 2.071 10 0 BEAERN O[C@H](c1nc(-c2ccco2)no1)c1ccccc1 ZINC000104421284 183185629 /nfs/dbraw/zinc/18/56/29/183185629.db2.gz SLILSDLYBXUCIO-NSHDSACASA-N 0 0 242.234 2.411 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1ncccc1F ZINC000082997310 183188357 /nfs/dbraw/zinc/18/83/57/183188357.db2.gz GZMUFYSHGFMPBM-MWLCHTKSSA-N 0 0 224.279 2.184 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1ccccn1 ZINC000077208289 183188428 /nfs/dbraw/zinc/18/84/28/183188428.db2.gz XYUQNZIYORXHSP-GHMZBOCLSA-N 0 0 206.289 2.045 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000052006891 183189131 /nfs/dbraw/zinc/18/91/31/183189131.db2.gz YZBIQOOJVURIJJ-VHSXEESVSA-N 0 0 226.707 2.450 10 0 BEAERN CCCN(C)C(=O)c1cccc(F)c1NC ZINC000054207306 169063207 /nfs/dbraw/zinc/06/32/07/169063207.db2.gz VVLQCETVPFYPIU-UHFFFAOYSA-N 0 0 224.279 2.349 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1nc2ccccc2o1 ZINC000089166522 183194870 /nfs/dbraw/zinc/19/48/70/183194870.db2.gz ZQWZQOMGWPMAEX-MWLCHTKSSA-N 0 0 232.283 2.401 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cc(F)c(F)c(F)c1 ZINC000061096202 183194929 /nfs/dbraw/zinc/19/49/29/183194929.db2.gz CAPDLMKPRMTGKM-VHSXEESVSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H](COC=C(F)F)c1ccccc1 ZINC000068576617 183226026 /nfs/dbraw/zinc/22/60/26/183226026.db2.gz ZKNZQGOLWFCNCZ-SECBINFHSA-N 0 0 200.184 2.475 10 0 BEAERN O[C@H](Cc1ccncc1)Cc1ccccc1F ZINC000053134269 183228359 /nfs/dbraw/zinc/22/83/59/183228359.db2.gz PGKBCMYOHLXYJR-CYBMUJFWSA-N 0 0 231.270 2.367 10 0 BEAERN O[C@@H]1c2ccc3ccccc3c2C=C[C@@H]1O ZINC000006118259 183230465 /nfs/dbraw/zinc/23/04/65/183230465.db2.gz FZOALBNXOKAOEW-UONOGXRCSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN O[C@@H]1COC[C@@H]1Nc1ccc(Cl)cc1Cl ZINC000037875552 183210090 /nfs/dbraw/zinc/21/00/90/183210090.db2.gz UJOXEFGZDRAWRG-VHSXEESVSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@@H]1COC[C@@H]1Nc1ccc2ccccc2c1 ZINC000037889312 183210952 /nfs/dbraw/zinc/21/09/52/183210952.db2.gz OBVSJRYOLYVTKX-UONOGXRCSA-N 0 0 229.279 2.011 10 0 BEAERN O[C@@H]1COC[C@H]1Nc1cccc(Cl)c1Cl ZINC000037883735 183212182 /nfs/dbraw/zinc/21/21/82/183212182.db2.gz PIWKWTLLXQKNON-RKDXNWHRSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000021994621 183214468 /nfs/dbraw/zinc/21/44/68/183214468.db2.gz NXZFGPQSDCEZFS-QWHCGFSZSA-N 0 0 214.268 2.104 10 0 BEAERN O[C@H]1CCc2cccc(Br)c21 ZINC000144843112 183242495 /nfs/dbraw/zinc/24/24/95/183242495.db2.gz BDANRHYZJFBCQQ-QMMMGPOBSA-N 0 0 213.074 2.429 10 0 BEAERN O[C@H]1COC[C@@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000037877096 183246936 /nfs/dbraw/zinc/24/69/36/183246936.db2.gz QVOBYPPVVMZANB-UWVGGRQHSA-N 0 0 248.109 2.165 10 0 BEAERN CCCN(CC)C(=O)c1n[nH]c2ccc(N)cc21 ZINC000048278013 169121530 /nfs/dbraw/zinc/12/15/30/169121530.db2.gz QPFMCRKQZMGITQ-UHFFFAOYSA-N 0 0 246.314 2.017 10 0 BEAERN O[C@@H]1C=Cc2c3ccccc3ccc2[C@@H]1O ZINC000006118262 183249369 /nfs/dbraw/zinc/24/93/69/183249369.db2.gz FZOALBNXOKAOEW-KGLIPLIRSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN O[C@]1(c2cncc(F)c2)CCc2ccccc21 ZINC000049576941 183253228 /nfs/dbraw/zinc/25/32/28/183253228.db2.gz JXZNZVRBVQWBDF-AWEZNQCLSA-N 0 0 229.254 2.403 10 0 BEAERN CCC[NH+](CCC)[C@@H](C(=O)[O-])C(C)C ZINC000011955801 169151140 /nfs/dbraw/zinc/15/11/40/169151140.db2.gz BACJPLUYDYHAEG-SNVBAGLBSA-N 0 0 201.310 2.218 10 0 BEAERN Oc1ccc(CCCn2cccn2)cc1 ZINC000059363024 183269070 /nfs/dbraw/zinc/26/90/70/183269070.db2.gz BIJKSWLJRNKBSZ-UHFFFAOYSA-N 0 0 202.257 2.222 10 0 BEAERN Oc1ccc(CNc2cncnc2)cc1Cl ZINC000083362855 183272009 /nfs/dbraw/zinc/27/20/09/183272009.db2.gz QZEGRIPNEQRBHO-UHFFFAOYSA-N 0 0 235.674 2.448 10 0 BEAERN CCCN(CC)c1nc2ccccn2c1CO ZINC000035433832 169133771 /nfs/dbraw/zinc/13/37/71/169133771.db2.gz VNZJYFMXGWELCV-UHFFFAOYSA-N 0 0 233.315 2.063 10 0 BEAERN Oc1ccc([C@H](O)c2ccccc2)c(O)c1 ZINC000006116444 183278410 /nfs/dbraw/zinc/27/84/10/183278410.db2.gz LVYZWDOXAIFVRX-CYBMUJFWSA-N 0 0 216.236 2.180 10 0 BEAERN Oc1cc(C(F)(F)F)cc2n[nH]cc21 ZINC000089196503 183256736 /nfs/dbraw/zinc/25/67/36/183256736.db2.gz UBOPPLRJCZVKMZ-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN CCCN(CCC)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000121852310 169143134 /nfs/dbraw/zinc/14/31/34/169143134.db2.gz ONISZZWWZCGMQN-QWRGUYRKSA-N 0 0 213.321 2.203 10 0 BEAERN Oc1ccc2[nH]c(-c3cc(O)cc(O)c3)nc2c1 ZINC000096906813 183261120 /nfs/dbraw/zinc/26/11/20/183261120.db2.gz NCYCPQCNTUAVPK-UHFFFAOYSA-N 0 0 242.234 2.347 10 0 BEAERN O=c1nc(-c2nccs2)cc(C(F)(F)F)[nH]1 ZINC000217035232 183306171 /nfs/dbraw/zinc/30/61/71/183306171.db2.gz PEZOGJJXWLNYDN-UHFFFAOYSA-N 0 0 247.201 2.325 10 0 BEAERN Oc1cccc(NC2CCC3(CC2)OCCO3)c1 ZINC000020193893 183292369 /nfs/dbraw/zinc/29/23/69/183292369.db2.gz IUKUMUXCSPWRLE-UHFFFAOYSA-N 0 0 249.310 2.490 10 0 BEAERN Oc1cccc(NCc2ccncc2)c1 ZINC000020193230 183292681 /nfs/dbraw/zinc/29/26/81/183292681.db2.gz ALSZUIWLEUTRQQ-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN Oc1cccc(NCc2cncs2)c1 ZINC000054770375 183292811 /nfs/dbraw/zinc/29/28/11/183292811.db2.gz HLUFOCKLWMUJMH-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN Oc1cccc2ccc(-n3cccn3)nc12 ZINC000090715111 183298296 /nfs/dbraw/zinc/29/82/96/183298296.db2.gz IBFDIWOPJRCTGB-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN Oc1cccc2cnc(Br)nc12 ZINC000116721642 183298429 /nfs/dbraw/zinc/29/84/29/183298429.db2.gz KQZBRMOQBUBNMD-UHFFFAOYSA-N 0 0 225.045 2.098 10 0 BEAERN CCCN(Cc1ccccc1)C(=O)CC(C)=O ZINC000019410834 169177623 /nfs/dbraw/zinc/17/76/23/169177623.db2.gz CDSSYQIWMBXHTR-UHFFFAOYSA-N 0 0 233.311 2.404 10 0 BEAERN Oc1ccccc1OCc1nc(C2CC2)no1 ZINC000049344739 183304248 /nfs/dbraw/zinc/30/42/48/183304248.db2.gz YVNPSXKMMWHYJW-UHFFFAOYSA-N 0 0 232.239 2.232 10 0 BEAERN O=C1CN=C(c2cnc(C3CC3)nc2)S1 ZINC000072191719 183304858 /nfs/dbraw/zinc/30/48/58/183304858.db2.gz SRTOCWKPXDLMIY-UHFFFAOYSA-N 0 0 219.269 2.183 10 0 BEAERN CCCN(c1ccc(N)c2nonc21)C1CC1 ZINC000035675669 169183049 /nfs/dbraw/zinc/18/30/49/169183049.db2.gz WRLZDHSGAXKMTF-UHFFFAOYSA-N 0 0 232.287 2.184 10 0 BEAERN CCCN1C(=O)CC[C@H](c2ccccc2)NC1=O ZINC000037606854 169183468 /nfs/dbraw/zinc/18/34/68/169183468.db2.gz ALAHRCXWPVXYAH-GFCCVEGCSA-N 0 0 246.310 2.470 10 0 BEAERN CCCN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000013726364 169205370 /nfs/dbraw/zinc/20/53/70/169205370.db2.gz BLVMMLMFXYKMPX-AWEZNQCLSA-N 0 0 235.327 2.479 10 0 BEAERN c1c[nH]c(CNc2ccc(N3CCCC3)nc2)n1 ZINC000049715043 183324945 /nfs/dbraw/zinc/32/49/45/183324945.db2.gz WWGHJIADSSKHLX-UHFFFAOYSA-N 0 0 243.314 2.017 10 0 BEAERN O=c1[nH]c(C(F)(F)F)nc2cccc(F)c21 ZINC000075926460 183308421 /nfs/dbraw/zinc/30/84/21/183308421.db2.gz GAKRRDYWCDGLQO-UHFFFAOYSA-N 0 0 232.136 2.493 10 0 BEAERN S=C(Nc1ccc(Cl)cn1)n1ccnc1 ZINC000034507120 183311236 /nfs/dbraw/zinc/31/12/36/183311236.db2.gz OGDRZPSYWGBDSF-UHFFFAOYSA-N 0 0 238.703 2.177 10 0 BEAERN c1cc(CN2CCCC[C@@H]2c2cn[nH]c2)no1 ZINC000158162627 183340575 /nfs/dbraw/zinc/34/05/75/183340575.db2.gz JLTKCROAIFOEIJ-GFCCVEGCSA-N 0 0 232.287 2.125 10 0 BEAERN CCC[N@@H+]1CCc2sc(C(=O)[O-])cc2C1 ZINC000020432663 169209245 /nfs/dbraw/zinc/20/92/45/169209245.db2.gz GUTVUHDKXQUWPP-UHFFFAOYSA-N 0 0 225.313 2.214 10 0 BEAERN CCCN1Sc2ccccc2[S@@]1=O ZINC000006380327 169210956 /nfs/dbraw/zinc/21/09/56/169210956.db2.gz DPEHBAVAXRKEGX-CYBMUJFWSA-N 0 0 213.327 2.442 10 0 BEAERN c1cc(CNc2ccc3c(c2)CCO3)ncn1 ZINC000054789397 183353420 /nfs/dbraw/zinc/35/34/20/183353420.db2.gz XWIRKQPQYOBGIK-UHFFFAOYSA-N 0 0 227.267 2.024 10 0 BEAERN c1csc(CCNc2ccnc(C3CC3)n2)n1 ZINC000110392669 183356733 /nfs/dbraw/zinc/35/67/33/183356733.db2.gz LEQWNKUWQINHEQ-UHFFFAOYSA-N 0 0 246.339 2.465 10 0 BEAERN c1cc2c(cc1NC[C@@H]1CCCO1)OCCO2 ZINC000020049402 183368993 /nfs/dbraw/zinc/36/89/93/183368993.db2.gz VKAQJOYGNCBJEI-NSHDSACASA-N 0 0 235.283 2.049 10 0 BEAERN c1cc2c(cc1NC[C@@H]1CCOC1)OCCCO2 ZINC000019906150 183369008 /nfs/dbraw/zinc/36/90/08/183369008.db2.gz VUHMKGNJCIUQOJ-NSHDSACASA-N 0 0 249.310 2.296 10 0 BEAERN c1cc2c(cc1NC[C@H]1CCCO1)OCCO2 ZINC000020049400 183369448 /nfs/dbraw/zinc/36/94/48/183369448.db2.gz VKAQJOYGNCBJEI-LLVKDONJSA-N 0 0 235.283 2.049 10 0 BEAERN CCCNC(=O)N[C@@H](C)c1ccccc1N ZINC000037178991 169238790 /nfs/dbraw/zinc/23/87/90/169238790.db2.gz MUUNKQMWGHJOMD-VIFPVBQESA-N 0 0 221.304 2.039 10 0 BEAERN CCCNC(=O)Nc1ccc(N)cc1Cl ZINC000020256275 169240409 /nfs/dbraw/zinc/24/04/09/169240409.db2.gz CTEOURWSHQEBKX-UHFFFAOYSA-N 0 0 227.695 2.454 10 0 BEAERN CCCNC(=O)Nc1ccc(Cl)c(N)c1 ZINC000020256300 169240440 /nfs/dbraw/zinc/24/04/40/169240440.db2.gz AHRRAYQHUMQESV-UHFFFAOYSA-N 0 0 227.695 2.454 10 0 BEAERN CCCNC(=O)[C@H](C)Oc1ccccc1C(C)=O ZINC000020385185 169247223 /nfs/dbraw/zinc/24/72/23/169247223.db2.gz NFLJJRVQVAILKV-NSHDSACASA-N 0 0 249.310 2.183 10 0 BEAERN CCCNC(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000039320516 169251756 /nfs/dbraw/zinc/25/17/56/169251756.db2.gz WCXCMRNOVFVZHV-UHFFFAOYSA-N 0 0 246.232 2.427 10 0 BEAERN CCCN[C@H](C(=O)OCC)c1ccccc1F ZINC000037513759 169285011 /nfs/dbraw/zinc/28/50/11/169285011.db2.gz BBMDNBGGCJDJCU-LBPRGKRZSA-N 0 0 239.290 2.430 10 0 BEAERN c1cn(-c2ccccc2N[C@@H]2CCOC2)cn1 ZINC000104072075 183386895 /nfs/dbraw/zinc/38/68/95/183386895.db2.gz CDLONGUWTIXVQN-LLVKDONJSA-N 0 0 229.283 2.073 10 0 BEAERN CCC[NH2+]Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000049850764 169267700 /nfs/dbraw/zinc/26/77/00/169267700.db2.gz NOFGMKBVTORWJF-JTQLQIEISA-N 0 0 237.299 2.038 10 0 BEAERN CCCN[C@@H](CCOC(C)(C)CC)C(=O)OC ZINC000062543153 169278154 /nfs/dbraw/zinc/27/81/54/169278154.db2.gz BTPOCNISGDVYCG-NSHDSACASA-N 0 0 245.363 2.123 10 0 BEAERN CCCN[C@@H](c1cncc(F)c1)c1cnccn1 ZINC000049576447 169280276 /nfs/dbraw/zinc/28/02/76/169280276.db2.gz LSXJDXUGUJUPQO-ZDUSSCGKSA-N 0 0 246.289 2.100 10 0 BEAERN c1nc2ccccn2c1Nc1ccccn1 ZINC000089201161 183418838 /nfs/dbraw/zinc/41/88/38/183418838.db2.gz DEIARFPHKRMAJP-UHFFFAOYSA-N 0 0 210.240 2.473 10 0 BEAERN CCCOCCOC(=O)c1cccc(N)c1C ZINC000041580967 169308908 /nfs/dbraw/zinc/30/89/08/169308908.db2.gz BZOOYZUPWHRZCC-UHFFFAOYSA-N 0 0 237.299 2.161 10 0 BEAERN CCCOCCOC(=O)c1ccccc1NC ZINC000104244195 169310192 /nfs/dbraw/zinc/31/01/92/169310192.db2.gz PYHAGIKZNDWJBK-UHFFFAOYSA-N 0 0 237.299 2.312 10 0 BEAERN CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC(=O)[O-])C1 ZINC000050957093 169311972 /nfs/dbraw/zinc/31/19/72/169311972.db2.gz VTCOWEJXPIHCQE-NWDGAFQWSA-N 0 0 243.347 2.131 10 0 BEAERN CCCOc1c(OC)cc(C=O)cc1OC ZINC000007262486 169313824 /nfs/dbraw/zinc/31/38/24/169313824.db2.gz VIZFOCNGDABISZ-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCCNc1cc(C)nc([C@H]2CCOC2)n1 ZINC000051691587 169293294 /nfs/dbraw/zinc/29/32/94/169293294.db2.gz LZHHUDDTAZZYKA-JTQLQIEISA-N 0 0 221.304 2.111 10 0 BEAERN CCC[NH2+][C@](C)(CCCOC1CCC1)C(=O)[O-] ZINC000050521638 169293349 /nfs/dbraw/zinc/29/33/49/169293349.db2.gz OXWNQGCKUZIPAB-CYBMUJFWSA-N 0 0 243.347 2.179 10 0 BEAERN CCCNc1cc(CC)nc(-c2cnn(C)c2)n1 ZINC000050865211 169293446 /nfs/dbraw/zinc/29/34/46/169293446.db2.gz AJNVUWUBSNPFDS-UHFFFAOYSA-N 0 0 245.330 2.261 10 0 BEAERN CCCNc1cc(C(C)C)nc(-c2nc[nH]n2)n1 ZINC000050851981 169293669 /nfs/dbraw/zinc/29/36/69/169293669.db2.gz OHNVAWMOYWVHOT-UHFFFAOYSA-N 0 0 246.318 2.207 10 0 BEAERN CCCN[C@](C)(CC(C)(C)OC)C(=O)OCC ZINC000037513447 169293868 /nfs/dbraw/zinc/29/38/68/169293868.db2.gz PXCAKXRXLWBTEZ-CYBMUJFWSA-N 0 0 245.363 2.123 10 0 BEAERN CCCNc1ccc(-n2cncn2)cc1 ZINC000037768809 169294205 /nfs/dbraw/zinc/29/42/05/169294205.db2.gz YWHPEIVCMNBRAB-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1ccc(-n2ccnc2C)nc1 ZINC000037152037 169294316 /nfs/dbraw/zinc/29/43/16/169294316.db2.gz KGZFOYOKPWJWTJ-UHFFFAOYSA-N 0 0 216.288 2.398 10 0 BEAERN CCCNc1nc(CC(=O)OCC)cs1 ZINC000083356213 169295841 /nfs/dbraw/zinc/29/58/41/169295841.db2.gz AGAVHNHJECAPAX-UHFFFAOYSA-N 0 0 228.317 2.071 10 0 BEAERN CCCNc1ncccc1Cn1nc(C)nc1C ZINC000052733850 169296498 /nfs/dbraw/zinc/29/64/98/169296498.db2.gz DVFZHHZOLGOEJS-UHFFFAOYSA-N 0 0 245.330 2.160 10 0 BEAERN CCCNc1ncnc2c1cnn2C(C)(C)C ZINC000062366825 169296934 /nfs/dbraw/zinc/29/69/34/169296934.db2.gz LSJVKVOBHIFSKY-UHFFFAOYSA-N 0 0 233.319 2.403 10 0 BEAERN CCCSc1ccc(S(C)(=O)=O)cc1N ZINC000035330281 169341671 /nfs/dbraw/zinc/34/16/71/169341671.db2.gz LMQWJUZUXMJPRW-UHFFFAOYSA-N 0 0 245.369 2.174 10 0 BEAERN CCCOc1ccc(OCCC(=O)OC)cc1 ZINC000020473837 169321070 /nfs/dbraw/zinc/32/10/70/169321070.db2.gz KQVJHRHAAYZWBS-UHFFFAOYSA-N 0 0 238.283 2.417 10 0 BEAERN CCCOc1ncnc(NC2CCCC2)c1N ZINC000082488371 169328762 /nfs/dbraw/zinc/32/87/62/169328762.db2.gz DCGYSGLHLGAVSA-UHFFFAOYSA-N 0 0 236.319 2.202 10 0 BEAERN CCCOc1ncnc(NC(C)(C)C)c1N ZINC000082488334 169328918 /nfs/dbraw/zinc/32/89/18/169328918.db2.gz JKSVJYBVTIYLBO-UHFFFAOYSA-N 0 0 224.308 2.058 10 0 BEAERN CCCS(=O)(=O)Nc1cc(C)c(C)cc1N ZINC000050439492 169333893 /nfs/dbraw/zinc/33/38/93/169333893.db2.gz GGTNUPNAYWZTDI-UHFFFAOYSA-N 0 0 242.344 2.037 10 0 BEAERN CCC[C@@H](C)NC(=O)c1nc(N)ccc1Cl ZINC000050694180 169369148 /nfs/dbraw/zinc/36/91/48/169369148.db2.gz ZXBGJMVEJZPPAW-SSDOTTSWSA-N 0 0 241.722 2.236 10 0 BEAERN CCC[C@@H](C)c1nc(C(C)(C)C)n(N)c1N ZINC000052839635 169374432 /nfs/dbraw/zinc/37/44/32/169374432.db2.gz XMJPUZUFDRNSLM-MRVPVSSYSA-N 0 0 224.352 2.380 10 0 BEAERN CCC[C@@H](CO)CC(=O)OC(C)(C)C ZINC000261507401 169385480 /nfs/dbraw/zinc/38/54/80/169385480.db2.gz IBWYRBYPKZIRKL-SECBINFHSA-N 0 0 202.294 2.127 10 0 BEAERN CCC[C@@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000040451665 169412534 /nfs/dbraw/zinc/41/25/34/169412534.db2.gz PLISSBDTRLDOBH-GFCCVEGCSA-N 0 0 219.284 2.405 10 0 BEAERN CCC[C@@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481895 169415487 /nfs/dbraw/zinc/41/54/87/169415487.db2.gz UCSPZYQZJLGLBQ-MRVPVSSYSA-N 0 0 213.277 2.323 10 0 BEAERN CC(C)(C)OC(=O)N1CCCCC[C@@H]1O ZINC000021991315 166647473 /nfs/dbraw/zinc/64/74/73/166647473.db2.gz YUMNPYZNPVXWGB-VIFPVBQESA-N 0 0 215.293 2.116 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1cncc(OCC)n1 ZINC000301701727 169443311 /nfs/dbraw/zinc/44/33/11/169443311.db2.gz QHCYYMKRJRLGTM-NXEZZACHSA-N 0 0 221.304 2.476 10 0 BEAERN CC(C)[C@@H](C)NC(=O)NC1CCSCC1 ZINC000195475592 259607209 /nfs/dbraw/zinc/60/72/09/259607209.db2.gz DDMXVHGAQJKWBT-SECBINFHSA-N 0 0 230.377 2.226 10 0 BEAERN CCC[C@H](C)Nc1ncnc(Cl)c1N ZINC000062362334 169494481 /nfs/dbraw/zinc/49/44/81/169494481.db2.gz HTWQZMBYLDSKMC-LURJTMIESA-N 0 0 214.700 2.313 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000074970075 166657331 /nfs/dbraw/zinc/65/73/31/166657331.db2.gz CZYCREFHHMUIAW-DBIOUOCHSA-N 0 0 239.315 2.031 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](O)C[C@@H]2C1 ZINC000059979427 166657725 /nfs/dbraw/zinc/65/77/25/166657725.db2.gz ISZLPPFTZXTGHT-MXWKQRLJSA-N 0 0 241.331 2.014 10 0 BEAERN CCC[C@H](Nc1ccc(OC)cc1)C(=O)OC ZINC000037953016 169514064 /nfs/dbraw/zinc/51/40/64/169514064.db2.gz JNRUNIKXMJZPFK-LBPRGKRZSA-N 0 0 237.299 2.449 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1c(O)cccc1O ZINC000092123625 169532572 /nfs/dbraw/zinc/53/25/72/169532572.db2.gz BEFMMKUEPQQYJZ-IUCAKERBSA-N 0 0 235.283 2.016 10 0 BEAERN CC(C)(C)OC(=O)NCc1ccc(F)c(N)c1 ZINC000095755813 166664432 /nfs/dbraw/zinc/66/44/32/166664432.db2.gz ZESPVVPBNKPRRE-UHFFFAOYSA-N 0 0 240.278 2.433 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)CCSC ZINC000336655549 169537350 /nfs/dbraw/zinc/53/73/50/169537350.db2.gz OYNRZYJLCAKRRD-DTWKUNHWSA-N 0 0 201.335 2.044 10 0 BEAERN CCCc1cc(-c2ccccc2)nc(=O)[nH]1 ZINC000196399386 169562115 /nfs/dbraw/zinc/56/21/15/169562115.db2.gz MJHSNMZLAKKMQB-UHFFFAOYSA-N 0 0 214.268 2.389 10 0 BEAERN CCCc1ccc([C@@H](C)NCC(=O)OC)cc1 ZINC000019885593 169573696 /nfs/dbraw/zinc/57/36/96/169573696.db2.gz QHGDLMRYYCKYIK-LLVKDONJSA-N 0 0 235.327 2.463 10 0 BEAERN CCCc1nc(C)c(C(N)=S)s1 ZINC000082419490 169586619 /nfs/dbraw/zinc/58/66/19/169586619.db2.gz AGZIDQLPLBJPRX-UHFFFAOYSA-N 0 0 200.332 2.038 10 0 BEAERN CCCc1nc(Cl)cc(NC(C)(C)CO)n1 ZINC000082509810 169591461 /nfs/dbraw/zinc/59/14/61/169591461.db2.gz PEVLFTQRTHZDFN-UHFFFAOYSA-N 0 0 243.738 2.265 10 0 BEAERN CCN(C(=O)CC(C)=O)[C@H](C)c1cccc(O)c1 ZINC000037839556 169632082 /nfs/dbraw/zinc/63/20/82/169632082.db2.gz UURGQOJCVKNRCQ-LLVKDONJSA-N 0 0 249.310 2.281 10 0 BEAERN CCN(C(=O)[C@H](C)COC)C1CCCC1 ZINC000103373276 169651906 /nfs/dbraw/zinc/65/19/06/169651906.db2.gz RJIWFVBHODAONO-SNVBAGLBSA-N 0 0 213.321 2.060 10 0 BEAERN CCN(C(=O)c1ccc(N)cc1C)C1CC1 ZINC000044748296 169657712 /nfs/dbraw/zinc/65/77/12/169657712.db2.gz LTSCJOHLFNACII-UHFFFAOYSA-N 0 0 218.300 2.202 10 0 BEAERN CC[C@@H](CO)Nc1ccc2ccccc2n1 ZINC000035100454 383827036 /nfs/dbraw/zinc/82/70/36/383827036.db2.gz OEHJJNUSNLTIRM-NSHDSACASA-N 0 0 216.284 2.418 10 0 BEAERN O=Cc1cocc(-c2ccccc2)c1=O ZINC000000165669 383840327 /nfs/dbraw/zinc/84/03/27/383840327.db2.gz HRXCXWWVCVNVRZ-UHFFFAOYSA-N 0 0 200.193 2.119 10 0 BEAERN CCOc1cc(C(C)=O)cc(C#N)c1OC ZINC000575647954 383855881 /nfs/dbraw/zinc/85/58/81/383855881.db2.gz MNGXLOXYWAQFAC-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCc1ccc(S(=O)(=O)N[C@H](C)CC)s1 ZINC000048659589 383858567 /nfs/dbraw/zinc/85/85/67/383858567.db2.gz QGCNBUUKOYTHOE-MRVPVSSYSA-N 0 0 247.385 2.387 10 0 BEAERN CCCc1noc(-c2cccc(OC)c2O)n1 ZINC000111688037 383875668 /nfs/dbraw/zinc/87/56/68/383875668.db2.gz FJSGYTQQGBNAGE-UHFFFAOYSA-N 0 0 234.255 2.403 10 0 BEAERN CSc1ccc(C(=O)N[C@H]2C[C@H]2C)o1 ZINC000112285667 383909681 /nfs/dbraw/zinc/90/96/81/383909681.db2.gz JPUQJXHHYOSLQO-RQJHMYQMSA-N 0 0 211.286 2.140 10 0 BEAERN CCOc1ccccc1NCc1cncnc1 ZINC000054766874 383921016 /nfs/dbraw/zinc/92/10/16/383921016.db2.gz CXJCLMUJUMDRTI-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN CC(=O)Nc1ccc(NCc2cncnc2)cc1 ZINC000054766847 383921125 /nfs/dbraw/zinc/92/11/25/383921125.db2.gz GQQHQYRQJGSXKW-UHFFFAOYSA-N 0 0 242.282 2.047 10 0 BEAERN Fc1cc(Br)cc(OC[C@@H]2CO2)c1 ZINC000088138613 383881859 /nfs/dbraw/zinc/88/18/59/383881859.db2.gz IAYLDVSLWMFGMD-SECBINFHSA-N 0 0 247.063 2.366 10 0 BEAERN COc1cc(C#N)c(CO)cc1C(F)(F)F ZINC000575648489 383901428 /nfs/dbraw/zinc/90/14/28/383901428.db2.gz OHPCIVWVOWSSPU-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000068591928 384001967 /nfs/dbraw/zinc/00/19/67/384001967.db2.gz ZJMUGLHQYNTZHF-UHFFFAOYSA-N 0 0 227.189 2.473 10 0 BEAERN CC(C)(C)OC(=O)Nc1cccc(N)c1O ZINC000089194912 383941916 /nfs/dbraw/zinc/94/19/16/383941916.db2.gz WAEPLOMEQPCATB-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN CCSc1ncc2c(Cl)nccn21 ZINC000089195459 383942209 /nfs/dbraw/zinc/94/22/09/383942209.db2.gz QNVHCZMLGVHOHC-UHFFFAOYSA-N 0 0 213.693 2.495 10 0 BEAERN c1ccn(CCOc2ccc3n[nH]cc3c2)c1 ZINC000089196768 383943919 /nfs/dbraw/zinc/94/39/19/383943919.db2.gz QBEGSVOOFPXGTF-UHFFFAOYSA-N 0 0 227.267 2.443 10 0 BEAERN O=Cc1cc(C(F)(F)F)cc2c[nH]nc21 ZINC000089197251 383944028 /nfs/dbraw/zinc/94/40/28/383944028.db2.gz WAUYYAVBIIYPLR-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN COC(=O)Cc1c[nH]c2c1cccc2F ZINC000089204075 383945754 /nfs/dbraw/zinc/94/57/54/383945754.db2.gz GLEUIFNTOWAJGR-UHFFFAOYSA-N 0 0 207.204 2.023 10 0 BEAERN CCCCCNc1nc2c[nH]nc2c(C)n1 ZINC000089211923 383946235 /nfs/dbraw/zinc/94/62/35/383946235.db2.gz AZUVPXJZDMFQCW-UHFFFAOYSA-N 0 0 219.292 2.263 10 0 BEAERN COC(=O)CCC(=O)c1ccc2[nH]ccc2c1 ZINC000089208819 383946509 /nfs/dbraw/zinc/94/65/09/383946509.db2.gz AYXSLCCEVCGWKS-UHFFFAOYSA-N 0 0 231.251 2.304 10 0 BEAERN CC[C@@H](C)c1nc2c(n[nH]c2C(C)C)c(=O)[nH]1 ZINC000089212063 383947058 /nfs/dbraw/zinc/94/70/58/383947058.db2.gz VHOQKNCQNRAMNY-SSDOTTSWSA-N 0 0 234.303 2.283 10 0 BEAERN CCOc1cc(C#N)c(C(C)=O)cc1C ZINC000575649124 383947299 /nfs/dbraw/zinc/94/72/99/383947299.db2.gz PUOGQZRAVSWDDM-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN Cc1[nH]nc2ccnc(N(C)CC(C)C)c21 ZINC000089220158 383949191 /nfs/dbraw/zinc/94/91/91/383949191.db2.gz AXLRNISHBPKMQU-UHFFFAOYSA-N 0 0 218.304 2.359 10 0 BEAERN COC(=O)c1nc2c(ccnc2Cl)s1 ZINC000089229239 383953078 /nfs/dbraw/zinc/95/30/78/383953078.db2.gz MINXZBXOLYOJOY-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCSC(C)(C)CC1 ZINC000335846829 384003182 /nfs/dbraw/zinc/00/31/82/384003182.db2.gz HPZHGYCVHZWWER-UWVGGRQHSA-N 0 0 242.388 2.322 10 0 BEAERN COC(=O)Cc1cc(OC)ccc1Cl ZINC000096888762 383975924 /nfs/dbraw/zinc/97/59/24/383975924.db2.gz VDOBOWRYHJLEGU-UHFFFAOYSA-N 0 0 214.648 2.064 10 0 BEAERN CC[C@H](NC(=O)N[C@H]1CCO[C@@H](C)C1)C(C)C ZINC000408076454 134386933 /nfs/dbraw/zinc/38/69/33/134386933.db2.gz JEAKTIWWSGLVQX-SRVKXCTJSA-N 0 0 242.363 2.288 10 0 BEAERN Cc1ccc([C@H](C)NCc2ncc[nH]2)o1 ZINC000049714997 384023742 /nfs/dbraw/zinc/02/37/42/384023742.db2.gz NSIWWOIQSVBDCF-VIFPVBQESA-N 0 0 205.261 2.162 10 0 BEAERN C[C@H](NCc1ccnn1C)c1ccccc1F ZINC000037764623 384011286 /nfs/dbraw/zinc/01/12/86/384011286.db2.gz PZPSQEACVMVISR-JTQLQIEISA-N 0 0 233.290 2.410 10 0 BEAERN O=C1C[C@H](c2ccccc2F)SCCN1 ZINC000090397234 384045815 /nfs/dbraw/zinc/04/58/15/384045815.db2.gz JNNPWXFIQQXEOK-SNVBAGLBSA-N 0 0 225.288 2.120 10 0 BEAERN CN(CCCOc1ccccc1)Cc1cc[nH]n1 ZINC000114461131 384038952 /nfs/dbraw/zinc/03/89/52/384038952.db2.gz RWOJDZYSGCUPTL-UHFFFAOYSA-N 0 0 245.326 2.311 10 0 BEAERN COc1cc(OC(F)(F)F)cc(C=O)c1C#N ZINC000575645639 384091650 /nfs/dbraw/zinc/09/16/50/384091650.db2.gz DBWSJLXTORWXFC-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCN(C(=O)NC1CC1)[C@@H](C)c1cccnc1 ZINC000115638396 384091720 /nfs/dbraw/zinc/09/17/20/384091720.db2.gz QCHBYKWACCNEKI-JTQLQIEISA-N 0 0 233.315 2.337 10 0 BEAERN CCN(C(=O)N(C)C)[C@@H](C)c1cccnc1 ZINC000115471695 384085605 /nfs/dbraw/zinc/08/56/05/384085605.db2.gz ZMYKDWFWZVCJJU-JTQLQIEISA-N 0 0 221.304 2.146 10 0 BEAERN CNC(=O)Nc1cc(F)c(C)cc1F ZINC000234332001 384058955 /nfs/dbraw/zinc/05/89/55/384058955.db2.gz CQGSCRUZTGGGTM-UHFFFAOYSA-N 0 0 200.188 2.025 10 0 BEAERN CCONC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000115644378 384090805 /nfs/dbraw/zinc/09/08/05/384090805.db2.gz LULYFRDIVFDUOB-JTQLQIEISA-N 0 0 237.303 2.126 10 0 BEAERN CCN(C(=O)c1cc[nH]n1)[C@H](C)c1cccnc1 ZINC000115224013 384073738 /nfs/dbraw/zinc/07/37/38/384073738.db2.gz CAALNBUEMUHISS-SNVBAGLBSA-N 0 0 244.298 2.028 10 0 BEAERN c1nc(CN[C@@H]2COc3ccccc32)cs1 ZINC000070070129 384076993 /nfs/dbraw/zinc/07/69/93/384076993.db2.gz QICZBRHVEVGRKQ-LLVKDONJSA-N 0 0 232.308 2.366 10 0 BEAERN Cc1c([C@H](C)O)cnn1-c1ccccc1 ZINC000072415125 384099231 /nfs/dbraw/zinc/09/92/31/384099231.db2.gz MLTCUJNPBJQULA-JTQLQIEISA-N 0 0 202.257 2.234 10 0 BEAERN Cc1[nH]nc2c1[C@H](O)C[C@@H](c1ccccc1O)C2 ZINC000072415258 384099383 /nfs/dbraw/zinc/09/93/83/384099383.db2.gz SNRANHLTJDUOAN-TVQRCGJNSA-N 0 0 244.294 2.187 10 0 BEAERN CCO[C@@H]1Cc2c(c(C)cc(O)c2C)O1 ZINC000039099611 384103194 /nfs/dbraw/zinc/10/31/94/384103194.db2.gz XHVZEBQSQFLHEG-NSHDSACASA-N 0 0 208.257 2.307 10 0 BEAERN Brc1noc([C@@H]2CCCCO2)n1 ZINC000156572931 384107925 /nfs/dbraw/zinc/10/79/25/384107925.db2.gz IIPSMEUXGXOVHX-YFKPBYRVSA-N 0 0 233.065 2.074 10 0 BEAERN CC(C)[C@H](C)Nc1ccnc2c1cnn2C ZINC000278699954 384108483 /nfs/dbraw/zinc/10/84/83/384108483.db2.gz MUFJNPUGOVRDRR-VIFPVBQESA-N 0 0 218.304 2.425 10 0 BEAERN Cc1ccc([C@H]2Cc3c(cnn3C)[C@@H](O)C2)cc1 ZINC000072415831 384108842 /nfs/dbraw/zinc/10/88/42/384108842.db2.gz CPEMVNAYUVWNTM-WFASDCNBSA-N 0 0 242.322 2.492 10 0 BEAERN c1ccc([C@H]2NN=C3CCCCCN32)cc1 ZINC000072416244 384110427 /nfs/dbraw/zinc/11/04/27/384110427.db2.gz ZGDOBVDFAKRZRF-ZDUSSCGKSA-N 0 0 215.300 2.478 10 0 BEAERN c1ccc([C@@H]2NN=C3CCCCN32)cc1 ZINC000072416245 384110801 /nfs/dbraw/zinc/11/08/01/384110801.db2.gz BRPBQFFECGJVMV-GFCCVEGCSA-N 0 0 201.273 2.088 10 0 BEAERN C[C@@H]1CNc2cc(Cl)ccc2NC1=O ZINC000039224544 384111580 /nfs/dbraw/zinc/11/15/80/384111580.db2.gz VADAGHNPRJBAGR-ZCFIWIBFSA-N 0 0 210.664 2.340 10 0 BEAERN Cc1cc(C)c(C(N)=O)cc1OC(F)F ZINC000575652675 384114268 /nfs/dbraw/zinc/11/42/68/384114268.db2.gz KBUNVSWXMIRCNS-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN Clc1cc(-c2ccccc2)nn2cnnc12 ZINC000072417157 384136514 /nfs/dbraw/zinc/13/65/14/384136514.db2.gz NOLAZBXGRQVCES-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN CC(C)(C)OC(=O)C1(C)CCC(=O)CC1 ZINC000091352933 384120380 /nfs/dbraw/zinc/12/03/80/384120380.db2.gz XRQRHMGKLNSSIE-UHFFFAOYSA-N 0 0 212.289 2.478 10 0 BEAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC(F)C1 ZINC000336558538 384137380 /nfs/dbraw/zinc/13/73/80/384137380.db2.gz RELSMCZEBRKGIB-NWDGAFQWSA-N 0 0 225.307 2.383 10 0 BEAERN C[C@@H](NC(=O)C1(C)CCC1)c1ccon1 ZINC000408093405 134391456 /nfs/dbraw/zinc/39/14/56/134391456.db2.gz BOVGZYHMSHYZIU-MRVPVSSYSA-N 0 0 208.261 2.042 10 0 BEAERN CCc1cc(C=O)c(O)c(OC(F)F)c1 ZINC000575653348 384128176 /nfs/dbraw/zinc/12/81/76/384128176.db2.gz FOZCOETYXRHSKI-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(OC(F)F)c(CO)cc1F ZINC000575653256 384128415 /nfs/dbraw/zinc/12/84/15/384128415.db2.gz CPHICMAXUPJZIK-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN O=C1Sc2ccc(Br)cc2C1=O ZINC000040434551 384152630 /nfs/dbraw/zinc/15/26/30/384152630.db2.gz AYGLGOXWJMYWLV-UHFFFAOYSA-N 0 0 243.081 2.264 10 0 BEAERN COC(=O)c1c(C)oc2cc(O)ccc21 ZINC000071261201 384156462 /nfs/dbraw/zinc/15/64/62/384156462.db2.gz ODAVTXGNQNWWJZ-UHFFFAOYSA-N 0 0 206.197 2.233 10 0 BEAERN NN=c1nc(-c2ccccc2Cl)cc[nH]1 ZINC000072417401 384143663 /nfs/dbraw/zinc/14/36/63/384143663.db2.gz LIGOACIBCHKORB-UHFFFAOYSA-N 0 0 220.663 2.083 10 0 BEAERN O=Cc1c(-c2cccnc2)nc2sccn12 ZINC000006622528 384160812 /nfs/dbraw/zinc/16/08/12/384160812.db2.gz KQEUDSZPLBJPFJ-UHFFFAOYSA-N 0 0 229.264 2.270 10 0 BEAERN CC(C)(C)c1ccc([C@H](O)CCO)cc1 ZINC000071511217 384169420 /nfs/dbraw/zinc/16/94/20/384169420.db2.gz RQWAIGYNWMBBKY-GFCCVEGCSA-N 0 0 208.301 2.400 10 0 BEAERN Cc1csc(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000294986963 384180128 /nfs/dbraw/zinc/18/01/28/384180128.db2.gz OGAPQKUSEMDBFV-NXEZZACHSA-N 0 0 239.340 2.306 10 0 BEAERN CS[C@H](C)C(=O)Nc1ncc(C(C)=O)s1 ZINC000118631473 384205849 /nfs/dbraw/zinc/20/58/49/384205849.db2.gz ZRQIUYXNBFDUNE-ZCFIWIBFSA-N 0 0 244.341 2.036 10 0 BEAERN N#Cc1cc(CO)cc(F)c1OC(F)(F)F ZINC000575646035 384189206 /nfs/dbraw/zinc/18/92/06/384189206.db2.gz GYFZBJPMWJIBKZ-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)C1CC1 ZINC000041423783 384189486 /nfs/dbraw/zinc/18/94/86/384189486.db2.gz CHEVYIPWKNMXMC-FZMZJTMJSA-N 0 0 245.322 2.385 10 0 BEAERN Cc1ccc(C(=O)NN2CC=CCC2)cc1C ZINC000027765505 384193755 /nfs/dbraw/zinc/19/37/55/384193755.db2.gz KVFHBPKYNIZWOA-UHFFFAOYSA-N 0 0 230.311 2.210 10 0 BEAERN CCCCOC[C@H](O)Cn1ccnc1CCC ZINC000227908660 134398300 /nfs/dbraw/zinc/39/83/00/134398300.db2.gz WZURLRXBTKWKPS-GFCCVEGCSA-N 0 0 240.347 2.013 10 0 BEAERN COC(=O)c1ccc([C@H](N)C(F)(F)F)cc1 ZINC000072195040 384199872 /nfs/dbraw/zinc/19/98/72/384199872.db2.gz BBPNHHDNFRUHRJ-QMMMGPOBSA-N 0 0 233.189 2.035 10 0 BEAERN CCCCN(CC)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132043070 384210223 /nfs/dbraw/zinc/21/02/23/384210223.db2.gz CVPNUYWIJHYUKU-NSHDSACASA-N 0 0 249.358 2.478 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)CC(C)(C)C2CC2)C1 ZINC000335383619 384250180 /nfs/dbraw/zinc/25/01/80/384250180.db2.gz FPGAGUYXYYBDCO-ZYHUDNBSSA-N 0 0 239.359 2.042 10 0 BEAERN COc1cc(O)c(C)c(O)c1C(=O)C(C)C ZINC000014593833 384271043 /nfs/dbraw/zinc/27/10/43/384271043.db2.gz LODKADKHNLCWDK-UHFFFAOYSA-N 0 0 224.256 2.254 10 0 BEAERN O=Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000074139976 384275562 /nfs/dbraw/zinc/27/55/62/384275562.db2.gz WMVIFQVYSDQDTO-UHFFFAOYSA-N 0 0 214.146 2.166 10 0 BEAERN Cc1cc(C#N)c(C(F)(F)F)c(CO)c1 ZINC000575646331 384291608 /nfs/dbraw/zinc/29/16/08/384291608.db2.gz IXBQBAUPDHDXNU-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)NC1CC1 ZINC000173984307 384293391 /nfs/dbraw/zinc/29/33/91/384293391.db2.gz BOFOUUFAHHEAHQ-LLVKDONJSA-N 0 0 248.326 2.053 10 0 BEAERN C[C@@H](CO)[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC000133503198 384295549 /nfs/dbraw/zinc/29/55/49/384295549.db2.gz URAVZJWGBUIYEK-UWVGGRQHSA-N 0 0 247.294 2.180 10 0 BEAERN CC[C@@H](C)OCC(=O)N(C)Cc1ccc(C)o1 ZINC000133538742 384297764 /nfs/dbraw/zinc/29/77/64/384297764.db2.gz COIXOCOCCUVJIV-SNVBAGLBSA-N 0 0 239.315 2.362 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NCCc1cccc(F)c1 ZINC000075981939 384351174 /nfs/dbraw/zinc/35/11/74/384351174.db2.gz GWDPOTAVQMYMRY-SKDRFNHKSA-N 0 0 236.290 2.076 10 0 BEAERN COc1ccc(CN(C)C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075982527 384351857 /nfs/dbraw/zinc/35/18/57/384351857.db2.gz ZBNLMCQANFQRSK-GWCFXTLKSA-N 0 0 248.326 2.245 10 0 BEAERN CCCc1nc(Nc2cccc(N)c2)n[nH]1 ZINC000095081581 384357437 /nfs/dbraw/zinc/35/74/37/384357437.db2.gz MMCBMBUPUCAKIL-UHFFFAOYSA-N 0 0 217.276 2.083 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccncc1Cl ZINC000134572141 384368138 /nfs/dbraw/zinc/36/81/38/384368138.db2.gz HBRSWYDQFCISQT-APPZFPTMSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncc(Cl)cc1F ZINC000134573066 384369572 /nfs/dbraw/zinc/36/95/72/384369572.db2.gz WPLHLCBIWLGKQT-HZGVNTEJSA-N 0 0 230.670 2.463 10 0 BEAERN CC[C@H]1Oc2c(Cl)cccc2NC1=O ZINC000095348078 384372599 /nfs/dbraw/zinc/37/25/99/384372599.db2.gz CNBQSRCBLSQWGQ-MRVPVSSYSA-N 0 0 211.648 2.450 10 0 BEAERN Cc1ccncc1N[C@@H](C)CCn1cccn1 ZINC000159331229 384323258 /nfs/dbraw/zinc/32/32/58/384323258.db2.gz RCHKLGXKFMLVCV-LBPRGKRZSA-N 0 0 230.315 2.477 10 0 BEAERN Cc1ccc(F)cc1C(=O)N[C@H]1C[C@H]1C ZINC000075521575 384329381 /nfs/dbraw/zinc/32/93/81/384329381.db2.gz JDXNACSIAOKRAL-KCJUWKMLSA-N 0 0 207.248 2.272 10 0 BEAERN CCOc1ccccc1C(=O)N[C@H]1C[C@@H]1C ZINC000075519806 384329414 /nfs/dbraw/zinc/32/94/14/384329414.db2.gz VIVHRKHPTIVLAZ-ONGXEEELSA-N 0 0 219.284 2.224 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075528615 384329638 /nfs/dbraw/zinc/32/96/38/384329638.db2.gz VTNAAFAAFVAPSP-JQWIXIFHSA-N 0 0 203.285 2.442 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000075528300 384329933 /nfs/dbraw/zinc/32/99/33/384329933.db2.gz GLUKMKWIFBNVPQ-XCBNKYQSSA-N 0 0 209.676 2.478 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075528609 384330444 /nfs/dbraw/zinc/33/04/44/384330444.db2.gz CXXOJERXYUKUJI-JQWIXIFHSA-N 0 0 203.285 2.442 10 0 BEAERN CC(=O)c1ccc(OC(F)(F)F)cn1 ZINC000095760859 384393453 /nfs/dbraw/zinc/39/34/53/384393453.db2.gz JHYMSKNLNOPKCU-UHFFFAOYSA-N 0 0 205.135 2.183 10 0 BEAERN COC(=O)c1c(F)cc(Cl)cc1OC ZINC000095830221 384400103 /nfs/dbraw/zinc/40/01/03/384400103.db2.gz RQYYAPRPBFUDEY-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CCc1c(OC)cc(CO)cc1OC(F)F ZINC000575659207 384401048 /nfs/dbraw/zinc/40/10/48/384401048.db2.gz XECOZJLCHIRWSF-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOC[C@H]1CCCCN1C(=O)OC(C)C ZINC000313466788 384402038 /nfs/dbraw/zinc/40/20/38/384402038.db2.gz GVFJMGMHVFXCAV-LLVKDONJSA-N 0 0 229.320 2.422 10 0 BEAERN CC[C@@H](NC(=O)OC(C)(C)C)c1ncc[nH]1 ZINC000095883513 384404299 /nfs/dbraw/zinc/40/42/99/384404299.db2.gz BVPHWFFQXRGSBA-MRVPVSSYSA-N 0 0 225.292 2.386 10 0 BEAERN COc1cc(F)c(OC(F)F)cc1C=O ZINC000575659770 384407927 /nfs/dbraw/zinc/40/79/27/384407927.db2.gz KULUBHGULWIKEX-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(OC(F)F)c(F)cc1C=O ZINC000575660339 384408648 /nfs/dbraw/zinc/40/86/48/384408648.db2.gz UAHZTXFBHYHHRT-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN O=Cc1ccc(CCCOC(=O)[O-])cc1 ZINC000095934449 384413396 /nfs/dbraw/zinc/41/33/96/384413396.db2.gz OWROFCDCJHVFLK-UHFFFAOYSA-N 0 0 208.213 2.126 10 0 BEAERN C[C@@H]1c2ccsc2CCN1C(=O)N(C)C ZINC000135885609 384414016 /nfs/dbraw/zinc/41/40/16/384414016.db2.gz UWVCRBFDSVSOGZ-MRVPVSSYSA-N 0 0 224.329 2.349 10 0 BEAERN CC[C@H]1CNc2c(sc(N)c2C(=O)OC)C1 ZINC000095936171 384415566 /nfs/dbraw/zinc/41/55/66/384415566.db2.gz SXGIBZLISKBAIC-ZCFIWIBFSA-N 0 0 240.328 2.111 10 0 BEAERN CC(C)n1cccc1C(=O)N[C@H]1C[C@@H]1C ZINC000121381251 384415786 /nfs/dbraw/zinc/41/57/86/384415786.db2.gz FUOUSKMGLNLVOF-UWVGGRQHSA-N 0 0 206.289 2.207 10 0 BEAERN CN(c1ccnc(Cl)c1)C1CCOCC1 ZINC000229734873 384417462 /nfs/dbraw/zinc/41/74/62/384417462.db2.gz QGMLLIZYOHSYPD-UHFFFAOYSA-N 0 0 226.707 2.350 10 0 BEAERN CCOc1ccc(F)c(CO)c1OC(F)F ZINC000575656698 384375854 /nfs/dbraw/zinc/37/58/54/384375854.db2.gz RUFVBMFCNNLZIN-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN c1ccc2sc(C3OCOCO3)nc2c1 ZINC000045237748 384382674 /nfs/dbraw/zinc/38/26/74/384382674.db2.gz MVSJPRJPZSPPTN-UHFFFAOYSA-N 0 0 223.253 2.273 10 0 BEAERN COC(=O)c1cc2c(cccc2OC)o1 ZINC000095626845 384383005 /nfs/dbraw/zinc/38/30/05/384383005.db2.gz XZVLNDRTNJDQHS-UHFFFAOYSA-N 0 0 206.197 2.228 10 0 BEAERN CCOc1c(CO)ccc(OC(F)F)c1F ZINC000575657404 384385567 /nfs/dbraw/zinc/38/55/67/384385567.db2.gz VSIAYXKWYALJSP-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCc1ccc(OC)c(CO)c1OC(F)F ZINC000575657733 384388242 /nfs/dbraw/zinc/38/82/42/384388242.db2.gz ORDATIRUQDZRQW-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN O=C([O-])c1cc(C(F)(F)F)cc2c1CC[NH2+]C2 ZINC000095742340 384389959 /nfs/dbraw/zinc/38/99/59/384389959.db2.gz CKDNMFSZBQIRQS-UHFFFAOYSA-N 0 0 245.200 2.049 10 0 BEAERN Cc1ccn2c(c1)nnc2NC(=O)CC(C)(C)C ZINC000121906436 384444537 /nfs/dbraw/zinc/44/45/37/384444537.db2.gz YEUGAKUALDXEOU-UHFFFAOYSA-N 0 0 246.314 2.412 10 0 BEAERN CCOc1cc(CO)c(O)c(C(F)F)c1 ZINC000575668556 384448698 /nfs/dbraw/zinc/44/86/98/384448698.db2.gz ZKUSBODGTIWVRA-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CCc1c(C)n(CCC(N)=O)c2ccccc21 ZINC000147927530 384456310 /nfs/dbraw/zinc/45/63/10/384456310.db2.gz SJXWLWADXCNSBM-UHFFFAOYSA-N 0 0 230.311 2.388 10 0 BEAERN CC(=O)c1cc(C=O)cc(C(F)F)c1[O-] ZINC000575670174 384458066 /nfs/dbraw/zinc/45/80/66/384458066.db2.gz WPZYBZOWVHKSRQ-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN COc1cc(C)c(O)c(OC(F)F)c1 ZINC000575664910 384429093 /nfs/dbraw/zinc/42/90/93/384429093.db2.gz MBHHHWNBBNWGPP-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN Cc1ccn2c(c1)nnc2NC(=O)[C@H]1CC1(C)C ZINC000121734565 384436123 /nfs/dbraw/zinc/43/61/23/384436123.db2.gz MUEIHCHDRTXLNX-SECBINFHSA-N 0 0 244.298 2.022 10 0 BEAERN CCCC(C)(C)NC(=O)CCc1ccnn1C ZINC000121820869 384438768 /nfs/dbraw/zinc/43/87/68/384438768.db2.gz XDCPZEHLJHHJEJ-UHFFFAOYSA-N 0 0 237.347 2.048 10 0 BEAERN CCC[N@H+](Cc1c(C)nn(C)c1OC)C1CC1 ZINC000180098157 384439164 /nfs/dbraw/zinc/43/91/64/384439164.db2.gz TYBGJBCUQCOHTJ-UHFFFAOYSA-N 0 0 237.347 2.112 10 0 BEAERN CCC1CCC(NC(=O)c2ccnn2C)CC1 ZINC000122149110 384460075 /nfs/dbraw/zinc/46/00/75/384460075.db2.gz QYPOTXURFQAAQO-UHFFFAOYSA-N 0 0 235.331 2.119 10 0 BEAERN Cc1ccc([C@H](C)NCc2csnn2)o1 ZINC000036960569 384467045 /nfs/dbraw/zinc/46/70/45/384467045.db2.gz BXEQJAWWXHVJTC-QMMMGPOBSA-N 0 0 223.301 2.290 10 0 BEAERN Cc1ccoc1C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000135952779 384471662 /nfs/dbraw/zinc/47/16/62/384471662.db2.gz PQXNCQMYFDOTKU-GHMZBOCLSA-N 0 0 237.299 2.011 10 0 BEAERN c1ccc(NC[C@H]2CC23CCOCC3)nc1 ZINC000336475884 384477764 /nfs/dbraw/zinc/47/77/64/384477764.db2.gz KZLWRFURURUNDW-LLVKDONJSA-N 0 0 218.300 2.310 10 0 BEAERN Cc1ccccc1CCCSC[C@H](O)CO ZINC000175747255 384483320 /nfs/dbraw/zinc/48/33/20/384483320.db2.gz DTPHXOJEQYFMEW-CYBMUJFWSA-N 0 0 240.368 2.014 10 0 BEAERN Cc1c(=O)[nH]cnc1-c1ccc(Cl)cc1 ZINC000079067340 384483380 /nfs/dbraw/zinc/48/33/80/384483380.db2.gz OQPUZLKNJHTUER-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN O=C(C1CC(=O)C1)N(Cc1ccccc1)C1CC1 ZINC000136258171 384486521 /nfs/dbraw/zinc/48/65/21/384486521.db2.gz QCFHXHQDNLLWAI-UHFFFAOYSA-N 0 0 243.306 2.157 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncnc2c1CCCCC2 ZINC000149960067 384489257 /nfs/dbraw/zinc/48/92/57/384489257.db2.gz VTBGXJCJDWDVLV-ZYHUDNBSSA-N 0 0 247.342 2.335 10 0 BEAERN CC[C@H](CO)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000163721115 384492861 /nfs/dbraw/zinc/49/28/61/384492861.db2.gz FAROQOOSDWJLKR-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@H](O)C(C)(C)C)o1 ZINC000304239732 384515950 /nfs/dbraw/zinc/51/59/50/384515950.db2.gz NKOKZLSTNMKODP-ZJUUUORDSA-N 0 0 226.320 2.041 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H](O)C(C)(C)C)o1 ZINC000304239731 384516015 /nfs/dbraw/zinc/51/60/15/384516015.db2.gz NKOKZLSTNMKODP-VHSXEESVSA-N 0 0 226.320 2.041 10 0 BEAERN COc1c(F)cc(F)c(F)c1C(C)=O ZINC000258219806 384544117 /nfs/dbraw/zinc/54/41/17/384544117.db2.gz UXHPIJPQXYLASJ-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN COC(=O)c1cc(F)c(Cl)cc1OC ZINC000261026480 384545312 /nfs/dbraw/zinc/54/53/12/384545312.db2.gz BPKPPOJTHSTRAP-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN Cc1nc(NC(C)C)ncc1Br ZINC000258265836 384559833 /nfs/dbraw/zinc/55/98/33/384559833.db2.gz BPQIKLPKJWEBRY-UHFFFAOYSA-N 0 0 230.109 2.368 10 0 BEAERN C[C@@H](O)[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054933766 384561082 /nfs/dbraw/zinc/56/10/82/384561082.db2.gz NHLWCUKOVNVLMZ-RNFRBKRXSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1 ZINC000020035301 384570170 /nfs/dbraw/zinc/57/01/70/384570170.db2.gz IWTLESRMUUTRHX-LLVKDONJSA-N 0 0 234.343 2.252 10 0 BEAERN Cn1ccnc1CN[C@@H]1CCOc2ccccc21 ZINC000049856726 384574296 /nfs/dbraw/zinc/57/42/96/384574296.db2.gz ANWJUTFNSGVWTI-GFCCVEGCSA-N 0 0 243.310 2.034 10 0 BEAERN Cc1cnn(CC[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000123876578 384590671 /nfs/dbraw/zinc/59/06/71/384590671.db2.gz UNFHUMWSBBECAF-GFCCVEGCSA-N 0 0 233.315 2.444 10 0 BEAERN COC[C@@H](C)C(=O)N1CC2(CC2)c2ccccc21 ZINC000172434629 384587144 /nfs/dbraw/zinc/58/71/44/384587144.db2.gz JXLPBXMYXYJRGT-LLVKDONJSA-N 0 0 245.322 2.347 10 0 BEAERN CSCCC(=O)Nc1ccc(O)cc1 ZINC000020252711 384607793 /nfs/dbraw/zinc/60/77/93/384607793.db2.gz VTPBTSYJURMAGS-UHFFFAOYSA-N 0 0 211.286 2.084 10 0 BEAERN COC[C@H](C)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000103374197 384610721 /nfs/dbraw/zinc/61/07/21/384610721.db2.gz YDDYTQKUYNYSGQ-UWVGGRQHSA-N 0 0 225.332 2.058 10 0 BEAERN COC[C@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000103370885 384611161 /nfs/dbraw/zinc/61/11/61/384611161.db2.gz BLAFNQHOVWYKHK-NSHDSACASA-N 0 0 227.348 2.449 10 0 BEAERN CC(C)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2C)CCS1 ZINC000176343964 384614100 /nfs/dbraw/zinc/61/41/00/384614100.db2.gz XWGPEHZZBJPMOS-AXFHLTTASA-N 0 0 242.388 2.178 10 0 BEAERN CC(C)=CC(=O)N(C)CCc1ncc(C)s1 ZINC000124093469 384615496 /nfs/dbraw/zinc/61/54/96/384615496.db2.gz VBKONRGUCLBAOZ-UHFFFAOYSA-N 0 0 238.356 2.419 10 0 BEAERN COC(=O)Cc1c(F)cc2ncccc2c1F ZINC000098181508 384600694 /nfs/dbraw/zinc/60/06/94/384600694.db2.gz RZPJBFXLQLPNOM-UHFFFAOYSA-N 0 0 237.205 2.229 10 0 BEAERN CCCc1nn(-c2cccnc2)c(N)c1CC ZINC000098180635 384601464 /nfs/dbraw/zinc/60/14/64/384601464.db2.gz FTTQZDGARUDXDI-UHFFFAOYSA-N 0 0 230.315 2.364 10 0 BEAERN COCc1ccc(N)c(Br)c1 ZINC000098181579 384601894 /nfs/dbraw/zinc/60/18/94/384601894.db2.gz KFNSJTZMJGBJQM-UHFFFAOYSA-N 0 0 216.078 2.178 10 0 BEAERN CCC1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1 ZINC000042239100 384635750 /nfs/dbraw/zinc/63/57/50/384635750.db2.gz NZKHYCOWAKFVMH-UHFFFAOYSA-N 0 0 248.326 2.074 10 0 BEAERN Cn1nccc1C1CCN(C(=O)C(C)(C)C)CC1 ZINC000124433314 384637968 /nfs/dbraw/zinc/63/79/68/384637968.db2.gz UEXNIAPXIACHBD-UHFFFAOYSA-N 0 0 249.358 2.172 10 0 BEAERN C=CC(=O)O[C@H]1C=C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000100439939 384641283 /nfs/dbraw/zinc/64/12/83/384641283.db2.gz ISRJTGUYHVPAOR-ATFQUMLSSA-N 0 0 204.269 2.316 10 0 BEAERN CC(c1ccccc1)(n1ccnc1)n1ccnc1 ZINC000028764853 384646660 /nfs/dbraw/zinc/64/66/60/384646660.db2.gz OYPRTTXKMJPUTB-UHFFFAOYSA-N 0 0 238.294 2.349 10 0 BEAERN Cc1cnc([C@H](C)Nc2cncc(C)n2)o1 ZINC000309829053 384647547 /nfs/dbraw/zinc/64/75/47/384647547.db2.gz YAXDYMWFXXWKFH-VIFPVBQESA-N 0 0 218.260 2.255 10 0 BEAERN Nc1ccnc(-c2ccc(Br)o2)n1 ZINC000050867241 384650523 /nfs/dbraw/zinc/65/05/23/384650523.db2.gz GHEMOKKFKHNLDU-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@](C)(O)CO ZINC000100776357 384653467 /nfs/dbraw/zinc/65/34/67/384653467.db2.gz XCNCWOPROFTLGU-MQYQWHSLSA-N 0 0 244.375 2.207 10 0 endogenous,in-man BEAERN CN(C)c1cccc(NC(=O)C2CC2)c1 ZINC000082255224 384654089 /nfs/dbraw/zinc/65/40/89/384654089.db2.gz ZVWIJSSHOGBIQD-UHFFFAOYSA-N 0 0 204.273 2.101 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000154713797 384655867 /nfs/dbraw/zinc/65/58/67/384655867.db2.gz DKTALAHFIUPYMQ-NXEZZACHSA-N 0 0 213.321 2.249 10 0 BEAERN Cn1ccnc1[C@H](N)c1ccc(Cl)s1 ZINC000051173282 384658812 /nfs/dbraw/zinc/65/88/12/384658812.db2.gz XTFFJRZIVCPLCF-MRVPVSSYSA-N 0 0 227.720 2.183 10 0 BEAERN O=Cc1ncccc1OCc1ccccc1 ZINC000021301098 384662357 /nfs/dbraw/zinc/66/23/57/384662357.db2.gz WYLVNASPZUFUJS-UHFFFAOYSA-N 0 0 213.236 2.473 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@H]1C)c1cccc(F)c1 ZINC000173478317 384683236 /nfs/dbraw/zinc/68/32/36/384683236.db2.gz GZFNRFKDZYCZNJ-PTRXPTGYSA-N 0 0 221.275 2.454 10 0 BEAERN C[C@@H]1CN(c2cccc(Cl)n2)C[C@@H](C)O1 ZINC000082460826 384683362 /nfs/dbraw/zinc/68/33/62/384683362.db2.gz HXXVFEARHNKEBV-RKDXNWHRSA-N 0 0 226.707 2.349 10 0 BEAERN CC(C)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124959221 384684917 /nfs/dbraw/zinc/68/49/17/384684917.db2.gz DADNCLQWMUSRRR-UHFFFAOYSA-N 0 0 249.358 2.172 10 0 BEAERN Cc1cnc(CN2CCC[C@H]2c2cnn(C)c2)o1 ZINC000173648144 384703505 /nfs/dbraw/zinc/70/35/05/384703505.db2.gz UMMJQKKCNSCSOX-LBPRGKRZSA-N 0 0 246.314 2.054 10 0 BEAERN Fc1ncccc1Cc1cccnc1F ZINC000051951675 384703654 /nfs/dbraw/zinc/70/36/54/384703654.db2.gz JELFJGBPSWMBAB-UHFFFAOYSA-N 0 0 206.195 2.346 10 0 BEAERN Cn1ccnc1CN[C@@H]1CCCc2occc21 ZINC000051921350 384703755 /nfs/dbraw/zinc/70/37/55/384703755.db2.gz CTQAGHGTUCKQGQ-LLVKDONJSA-N 0 0 231.299 2.180 10 0 BEAERN Cc1ccsc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000051990359 384707804 /nfs/dbraw/zinc/70/78/04/384707804.db2.gz KHOSJWGULIPPPR-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1csc([C@H]2CN(CCCF)CCO2)n1 ZINC000125394008 384714207 /nfs/dbraw/zinc/71/42/07/384714207.db2.gz FDJVDMBEDMMPAI-SNVBAGLBSA-N 0 0 244.335 2.184 10 0 BEAERN Cc1csc([C@@H]2CN(CCCF)CCO2)n1 ZINC000125393771 384714370 /nfs/dbraw/zinc/71/43/70/384714370.db2.gz FDJVDMBEDMMPAI-JTQLQIEISA-N 0 0 244.335 2.184 10 0 BEAERN Cc1ccc(C)c(OCCC(=O)N2CCCO2)c1 ZINC000125383082 384716207 /nfs/dbraw/zinc/71/62/07/384716207.db2.gz PHRQZFUZLZPKBE-UHFFFAOYSA-N 0 0 249.310 2.236 10 0 BEAERN COC1CCN(c2cccnc2Cl)CC1 ZINC000143187834 384716532 /nfs/dbraw/zinc/71/65/32/384716532.db2.gz FYJWTKUXRLGXOP-UHFFFAOYSA-N 0 0 226.707 2.350 10 0 BEAERN COC(=O)c1cc(F)cc2cccnc21 ZINC000082769931 384716418 /nfs/dbraw/zinc/71/64/18/384716418.db2.gz UWAOEOXKVNOHTB-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN CCOC(=O)C(F)(F)c1ccc(C)o1 ZINC000257862072 384716612 /nfs/dbraw/zinc/71/66/12/384716612.db2.gz OWOQXYXOECITBY-UHFFFAOYSA-N 0 0 204.172 2.243 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000176765881 384775987 /nfs/dbraw/zinc/77/59/87/384775987.db2.gz PUNUWQHENBKVPS-AAVRWANBSA-N 0 0 249.354 2.203 10 0 BEAERN CC(=O)c1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052300365 384732732 /nfs/dbraw/zinc/73/27/32/384732732.db2.gz PBELQLGUMZTIKU-UFBFGSQYSA-N 0 0 232.283 2.419 10 0 BEAERN Cc1noc(C)c1CC(=O)N1CCCC1(C)C ZINC000102919658 384736500 /nfs/dbraw/zinc/73/65/00/384736500.db2.gz JWAQXRNNCQGGAU-UHFFFAOYSA-N 0 0 236.315 2.235 10 0 BEAERN CC1(C)CCCN1C(=O)NCCc1cccnc1 ZINC000102958683 384738655 /nfs/dbraw/zinc/73/86/55/384738655.db2.gz JGNBVFYYJDIRNO-UHFFFAOYSA-N 0 0 247.342 2.208 10 0 BEAERN CCC1(C(=O)N[C@@H](C)[C@H]2CCCO2)CCC1 ZINC000176679082 384739512 /nfs/dbraw/zinc/73/95/12/384739512.db2.gz OGAROVIPHFSFBB-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN CCC1(C(=O)N[C@H](C)[C@H]2CCCO2)CCC1 ZINC000176679100 384740934 /nfs/dbraw/zinc/74/09/34/384740934.db2.gz OGAROVIPHFSFBB-GHMZBOCLSA-N 0 0 225.332 2.250 10 0 BEAERN CC(C)C[C@]1(C)NC(=O)c2ccccc2NC1=O ZINC000072323946 384741806 /nfs/dbraw/zinc/74/18/06/384741806.db2.gz IPCIKKRGESFUTG-AWEZNQCLSA-N 0 0 246.310 2.173 10 0 BEAERN Cn1c2ccc(N)cc2nc1C(C)(C)C ZINC000052852249 384749643 /nfs/dbraw/zinc/74/96/43/384749643.db2.gz XOQQCDMIPDEXRQ-UHFFFAOYSA-N 0 0 203.289 2.453 10 0 BEAERN CC(C)n1nnnc1CN1[C@H](C)CCC[C@H]1C ZINC000108864380 384755192 /nfs/dbraw/zinc/75/51/92/384755192.db2.gz KAOAKSOBCMXKAU-GHMZBOCLSA-N 0 0 237.351 2.017 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)Cc1nccs1 ZINC000174110800 384756883 /nfs/dbraw/zinc/75/68/83/384756883.db2.gz MIVFJFTYLRXECQ-VIFPVBQESA-N 0 0 241.360 2.329 10 0 BEAERN COc1ccc(O)c(/C=C(/C)[N+](=O)[O-])c1 ZINC000083312574 384757957 /nfs/dbraw/zinc/75/79/57/384757957.db2.gz BQEJQPOSCPXSJC-ALCCZGGFSA-N 0 0 209.201 2.038 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000053010016 384759183 /nfs/dbraw/zinc/75/91/83/384759183.db2.gz XJLFQLWHYVFSPY-GZMMTYOYSA-N 0 0 207.248 2.272 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000103355822 384761770 /nfs/dbraw/zinc/76/17/70/384761770.db2.gz VJMXMXOAAACQRD-QWRGUYRKSA-N 0 0 221.300 2.146 10 0 BEAERN CCOc1ccc(NC(=O)[C@@H](C)COC)cc1 ZINC000103356061 384762684 /nfs/dbraw/zinc/76/26/84/384762684.db2.gz XHEJWXQDGJWLEQ-JTQLQIEISA-N 0 0 237.299 2.306 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000103356132 384763485 /nfs/dbraw/zinc/76/34/85/384763485.db2.gz TXXMDAVKSSJTSB-QMMMGPOBSA-N 0 0 211.236 2.047 10 0 BEAERN COC(=O)c1cnccc1NCc1ccccc1 ZINC000083370308 384764869 /nfs/dbraw/zinc/76/48/69/384764869.db2.gz KQVGOJYKZLEODX-UHFFFAOYSA-N 0 0 242.278 2.480 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000103358487 384764877 /nfs/dbraw/zinc/76/48/77/384764877.db2.gz WIQKASGAKFSQLK-SNVBAGLBSA-N 0 0 233.311 2.396 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)Cc1cccs1 ZINC000103378100 384765423 /nfs/dbraw/zinc/76/54/23/384765423.db2.gz ZSAHECJORDZLLN-NXEZZACHSA-N 0 0 241.356 2.078 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cccc(C)c1C ZINC000103358684 384765561 /nfs/dbraw/zinc/76/55/61/384765561.db2.gz YKXNEXQSLPNQDF-SNVBAGLBSA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@H](C)C(=O)Oc1cccc(F)c1F ZINC000103393983 384768500 /nfs/dbraw/zinc/76/85/00/384768500.db2.gz XEPCBJTZSRHPCF-ZETCQYMHSA-N 0 0 230.210 2.153 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000103429232 384770198 /nfs/dbraw/zinc/77/01/98/384770198.db2.gz FECSZBPXFHNQQD-DGCLKSJQSA-N 0 0 248.326 2.028 10 0 BEAERN Nc1ccnc(-c2cc(Cl)ccn2)c1 ZINC000072204378 384819326 /nfs/dbraw/zinc/81/93/26/384819326.db2.gz GGVSHZOGZWNPFF-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CCOC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000106027424 384820119 /nfs/dbraw/zinc/82/01/19/384820119.db2.gz LUVILPNBVOTAFU-JTQLQIEISA-N 0 0 226.659 2.207 10 0 BEAERN COC(=O)[C@](C)(Cl)Cc1ccccc1 ZINC000083988578 384824602 /nfs/dbraw/zinc/82/46/02/384824602.db2.gz OOUPJULROAEZBX-LLVKDONJSA-N 0 0 212.676 2.400 10 0 BEAERN CC(C)(C)[C@H](O)CSC1CCOCC1 ZINC000308596482 384831284 /nfs/dbraw/zinc/83/12/84/384831284.db2.gz SBWKOTFTXSXRRC-SNVBAGLBSA-N 0 0 218.362 2.306 10 0 BEAERN CSCCCCNC(=O)[C@@H](C)CSC ZINC000126284099 384787218 /nfs/dbraw/zinc/78/72/18/384787218.db2.gz RTMCKDVGNVYFJN-VIFPVBQESA-N 0 0 235.418 2.245 10 0 BEAERN O=C(c1cncc(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000336223639 384794527 /nfs/dbraw/zinc/79/45/27/384794527.db2.gz OGACFCRBPAKVBE-KCJUWKMLSA-N 0 0 236.702 2.360 10 0 BEAERN Cc1cc(Br)nc(Cl)n1 ZINC000072193227 384811401 /nfs/dbraw/zinc/81/14/01/384811401.db2.gz IAZHWQUUIZLBAW-UHFFFAOYSA-N 0 0 207.458 2.201 10 0 BEAERN CCS(=O)(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103163340 384814370 /nfs/dbraw/zinc/81/43/70/384814370.db2.gz HBFJRJQQPZMYBZ-MNOVXSKESA-N 0 0 233.377 2.141 10 0 BEAERN C/C=C/CCNc1ncc(C(N)=O)cc1Cl ZINC000301285390 384872268 /nfs/dbraw/zinc/87/22/68/384872268.db2.gz LOVHKNOTXQFAEZ-NSCUHMNNSA-N 0 0 239.706 2.212 10 0 BEAERN CC(=O)c1cc(F)cc(OC(F)F)c1N ZINC000575716287 384874626 /nfs/dbraw/zinc/87/46/26/384874626.db2.gz PQQXNRPBZSGKHN-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN C[C@H](O)C(C)(C)Nc1cnc2ccccc2n1 ZINC000127236204 384875918 /nfs/dbraw/zinc/87/59/18/384875918.db2.gz JZEUMEYOOXPELH-VIFPVBQESA-N 0 0 231.299 2.201 10 0 BEAERN COc1cc(N)c(C(C)=O)c(OC(F)F)c1 ZINC000575716678 384877255 /nfs/dbraw/zinc/87/72/55/384877255.db2.gz HMTBEFYUZJIOFV-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CC(=O)c1c(N)cc(C)cc1OC(F)F ZINC000575716696 384877379 /nfs/dbraw/zinc/87/73/79/384877379.db2.gz HUOVNYZTCFRNDE-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1c(N)ccc(F)c1OC(F)F ZINC000575716939 384880440 /nfs/dbraw/zinc/88/04/40/384880440.db2.gz YSMKLKCZPUYUCR-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CC(C)(C)c1ccc2c(c1)OCC(=O)CO2 ZINC000090659900 384881173 /nfs/dbraw/zinc/88/11/73/384881173.db2.gz VFQHMVHBTUURKJ-UHFFFAOYSA-N 0 0 220.268 2.324 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nc(COC)ns1 ZINC000301533731 384890049 /nfs/dbraw/zinc/89/00/49/384890049.db2.gz IKOKVEBHJJKCMP-SFYZADRCSA-N 0 0 227.333 2.285 10 0 BEAERN Cc1csc(CNC(=O)OC(C)C)n1 ZINC000127112565 384839957 /nfs/dbraw/zinc/83/99/57/384839957.db2.gz IWDGPYPUXXSJSM-UHFFFAOYSA-N 0 0 214.290 2.086 10 0 BEAERN CCN(CC)C(=O)NCc1ccc(O)c(F)c1 ZINC000163670494 384843194 /nfs/dbraw/zinc/84/31/94/384843194.db2.gz HXSGXFAXXUZMSF-UHFFFAOYSA-N 0 0 240.278 2.083 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)NCc1cc(F)ccc1F ZINC000104796111 384843503 /nfs/dbraw/zinc/84/35/03/384843503.db2.gz NRYIDKCUMVGKHN-RDDDGLTNSA-N 0 0 240.253 2.172 10 0 BEAERN c1ccc2sc(=NC[C@@H]3[C@H]4COC[C@H]43)[nH]c2c1 ZINC000376189628 384846341 /nfs/dbraw/zinc/84/63/41/384846341.db2.gz VMVPBVWEGNQHQH-OWUUHHOZSA-N 0 0 246.335 2.023 10 0 BEAERN COC[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174864000 384846411 /nfs/dbraw/zinc/84/64/11/384846411.db2.gz HOSSLUPODIZNSQ-VIFPVBQESA-N 0 0 248.282 2.495 10 0 BEAERN CC(=O)Nc1ccc(C)c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000186525995 384851559 /nfs/dbraw/zinc/85/15/59/384851559.db2.gz URBCQWCBKQIZNI-RNCFNFMXSA-N 0 0 246.310 2.092 10 0 BEAERN CC(C)(C)NC(=O)CSc1cccc(O)c1 ZINC000127019734 384852835 /nfs/dbraw/zinc/85/28/35/384852835.db2.gz CSMZPSQURSZQMV-UHFFFAOYSA-N 0 0 239.340 2.399 10 0 BEAERN Clc1nnc(Cl)c2scnc21 ZINC000084312567 384860150 /nfs/dbraw/zinc/86/01/50/384860150.db2.gz SDQRRNVFGWTOKK-UHFFFAOYSA-N 0 0 206.057 2.393 10 0 BEAERN CC(C)(C)Nc1ncc(C(N)=O)cc1Cl ZINC000301232382 384866928 /nfs/dbraw/zinc/86/69/28/384866928.db2.gz BKFRUDFGGJWGRP-UHFFFAOYSA-N 0 0 227.695 2.044 10 0 BEAERN O=C1c2ccc(O)cc2C(=O)N1c1ccccc1 ZINC000026020837 384866891 /nfs/dbraw/zinc/86/68/91/384866891.db2.gz HCUAWJNHCZEMJS-UHFFFAOYSA-N 0 0 239.230 2.193 10 0 in-vivo BEAERN CC[C@@H](C)[C@H](O)CNc1ccc(SC)nn1 ZINC000301271141 384867530 /nfs/dbraw/zinc/86/75/30/384867530.db2.gz NMDMPKHMCDFJHH-RKDXNWHRSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000149962328 384953614 /nfs/dbraw/zinc/95/36/14/384953614.db2.gz KJUHLIAZBXKZQD-BQBZGAKWSA-N 0 0 247.220 2.085 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000149951416 384954090 /nfs/dbraw/zinc/95/40/90/384954090.db2.gz KABGXJVDHOATJI-UWVGGRQHSA-N 0 0 229.283 2.219 10 0 BEAERN CC(C)OC(=O)N[C@H]1CS[C@H](C)C1 ZINC000307160481 384955005 /nfs/dbraw/zinc/95/50/05/384955005.db2.gz DUXSIPMNCHJBID-HTQZYQBOSA-N 0 0 203.307 2.015 10 0 BEAERN CCOc1cc(N)c(Br)cc1N ZINC000575719561 384892990 /nfs/dbraw/zinc/89/29/90/384892990.db2.gz FXRBMTBTKUJUCF-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN Nc1ccc(Cl)c(N)c1OC(F)F ZINC000575720670 384895324 /nfs/dbraw/zinc/89/53/24/384895324.db2.gz OWONHSFJUVABAA-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN COc1c(C)cc(OC(F)F)cc1N ZINC000575722311 384898672 /nfs/dbraw/zinc/89/86/72/384898672.db2.gz AEHLUWLHZPAGLK-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN Cc1ccc([C@H](C)NCc2cn[nH]n2)cc1F ZINC000398309597 384900088 /nfs/dbraw/zinc/90/00/88/384900088.db2.gz XDSWELIASIOEMR-VIFPVBQESA-N 0 0 234.278 2.103 10 0 BEAERN Cc1ccnc(N[C@H](CO)c2ccco2)c1 ZINC000301647200 384904854 /nfs/dbraw/zinc/90/48/54/384904854.db2.gz OJJXLVXEWAFSBZ-SNVBAGLBSA-N 0 0 218.256 2.129 10 0 BEAERN Cc1cc(=NC(=O)CC2CCC(C)CC2)[nH][nH]1 ZINC000408177397 134436632 /nfs/dbraw/zinc/43/66/32/134436632.db2.gz OKBRLJSDSWWLBW-UHFFFAOYSA-N 0 0 235.331 2.295 10 0 BEAERN CCCc1nnc(NC[C@@H](O)CC(C)C)s1 ZINC000301643965 384905564 /nfs/dbraw/zinc/90/55/64/384905564.db2.gz CFASZEFIPMYOGB-VIFPVBQESA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(OCC)c1N ZINC000575724019 384906232 /nfs/dbraw/zinc/90/62/32/384906232.db2.gz PCNQLKCOZYRRKJ-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOc1cc(N)c(Br)cc1OC ZINC000575723690 384906495 /nfs/dbraw/zinc/90/64/95/384906495.db2.gz ZRBYSRIBUPDJAJ-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COc1cc(O)c(C(F)(F)F)cc1N ZINC000575727905 384916815 /nfs/dbraw/zinc/91/68/15/384916815.db2.gz KISWCTWEDUBLPR-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1c(N)cc(C(F)(F)F)cc1O ZINC000575729223 384918202 /nfs/dbraw/zinc/91/82/02/384918202.db2.gz XOMKYYHHUPYXQC-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2nccc(C)n2)C1 ZINC000301781056 384921616 /nfs/dbraw/zinc/92/16/16/384921616.db2.gz NMIAAFCOXHRACZ-GHMZBOCLSA-N 0 0 221.304 2.155 10 0 BEAERN CCSCC[C@H](C)N(C)C(=O)[C@H](C)COC ZINC000175576211 384927033 /nfs/dbraw/zinc/92/70/33/384927033.db2.gz HWJVZROWVJPQBF-MNOVXSKESA-N 0 0 247.404 2.259 10 0 BEAERN Cc1cnc(CCNc2ncc(C)cn2)s1 ZINC000301834295 384928162 /nfs/dbraw/zinc/92/81/62/384928162.db2.gz KIQOKPYKYZPXOW-UHFFFAOYSA-N 0 0 234.328 2.205 10 0 BEAERN O=C(C1CC=CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000152120419 384959765 /nfs/dbraw/zinc/95/97/65/384959765.db2.gz KFPPANKACUIREA-UHFFFAOYSA-N 0 0 245.326 2.082 10 0 BEAERN CC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000106769672 384930274 /nfs/dbraw/zinc/93/02/74/384930274.db2.gz BWMDWZHKBYBMOE-RCOVLWMOSA-N 0 0 223.297 2.089 10 0 BEAERN CC(C)c1nnc(N[C@H]2CCO[C@@H]2C)s1 ZINC000301876137 384935091 /nfs/dbraw/zinc/93/50/91/384935091.db2.gz GTKWYEKJTNTLDR-SFYZADRCSA-N 0 0 227.333 2.251 10 0 BEAERN Cc1nc(CNc2ncc(C)cn2)c(C)s1 ZINC000301848163 384936055 /nfs/dbraw/zinc/93/60/55/384936055.db2.gz VHWXDTYNTBAMOI-UHFFFAOYSA-N 0 0 234.328 2.470 10 0 BEAERN O=C(NCC[C@H]1CCCO1)Nc1ccccc1 ZINC000025236549 384938700 /nfs/dbraw/zinc/93/87/00/384938700.db2.gz CODJGQGSZQMVHA-GFCCVEGCSA-N 0 0 234.299 2.377 10 0 BEAERN C[C@@H]1C[C@H]1Nc1nc(N)c2ccccc2n1 ZINC000301898837 384939206 /nfs/dbraw/zinc/93/92/06/384939206.db2.gz XGNWGIORJIWEPS-GMSGAONNSA-N 0 0 214.272 2.032 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C2CCC2)O1 ZINC000152145240 384966313 /nfs/dbraw/zinc/96/63/13/384966313.db2.gz CWLOEVOYKUBMDL-RAIGVLPGSA-N 0 0 237.343 2.345 10 0 BEAERN CSCCCCNc1nccnc1N(C)C ZINC000302205127 384972218 /nfs/dbraw/zinc/97/22/18/384972218.db2.gz VSEKXGZTCXJRQK-UHFFFAOYSA-N 0 0 240.376 2.098 10 0 BEAERN CC(C)c1ccc(CC[C@@H]([NH3+])C(=O)[O-])cc1 ZINC000057951936 384974167 /nfs/dbraw/zinc/97/41/67/384974167.db2.gz QXTNPVIJOCZFSN-GFCCVEGCSA-N 0 0 221.300 2.155 10 0 BEAERN CN(C)c1nccnc1NCc1cccs1 ZINC000302184356 384978008 /nfs/dbraw/zinc/97/80/08/384978008.db2.gz GTGWCWPJDDHZMN-UHFFFAOYSA-N 0 0 234.328 2.216 10 0 BEAERN COc1cc(Cl)nc(-c2cccnc2)n1 ZINC000058047970 384978065 /nfs/dbraw/zinc/97/80/65/384978065.db2.gz CPFFWKNLSKSIFI-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccns2)o1 ZINC000404413489 384981491 /nfs/dbraw/zinc/98/14/91/384981491.db2.gz BDMGVBSBJKFSAE-MRVPVSSYSA-N 0 0 223.301 2.290 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000644580428 384987696 /nfs/dbraw/zinc/98/76/96/384987696.db2.gz KJBDFBVRMFWHDG-LPWJVIDDSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(C)cc(C(=O)N2CCC[C@H](O)[C@H]2C)c1 ZINC000296072942 384996494 /nfs/dbraw/zinc/99/64/94/384996494.db2.gz ODMQVXXJKPYFQA-OCCSQVGLSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@H](C[C@H]1CCCO1)Nc1ncncc1Cl ZINC000302627824 385003166 /nfs/dbraw/zinc/00/31/66/385003166.db2.gz INLMYVMKAXMIJW-RKDXNWHRSA-N 0 0 241.722 2.500 10 0 BEAERN COc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1Cl ZINC000128253774 385015798 /nfs/dbraw/zinc/01/57/98/385015798.db2.gz CBAKTNRPSAERBS-XVKPBYJWSA-N 0 0 239.702 2.487 10 0 BEAERN Cc1[nH]c(-c2ccccc2)nc2n[nH]c(=O)c1-2 ZINC000028444106 384963922 /nfs/dbraw/zinc/96/39/22/384963922.db2.gz MSLLMLPQMJKOQO-UHFFFAOYSA-N 0 0 226.239 2.034 10 0 BEAERN Cc1cc(C=O)[nH]c1C(=O)OC(C)(C)C ZINC000206961106 385054654 /nfs/dbraw/zinc/05/46/54/385054654.db2.gz TWWICYDJAJYVGP-UHFFFAOYSA-N 0 0 209.245 2.091 10 0 BEAERN Cc1ccc(N2CCCC[C@@H]2CO)cc1 ZINC000086860360 385054892 /nfs/dbraw/zinc/05/48/92/385054892.db2.gz NRRIPKCOJZESRI-CYBMUJFWSA-N 0 0 205.301 2.346 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)CCc1cccs1 ZINC000176344737 385067398 /nfs/dbraw/zinc/06/73/98/385067398.db2.gz LVBXSUJNVGZQCX-KOLCDFICSA-N 0 0 238.356 2.340 10 0 BEAERN COC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109153620 385068148 /nfs/dbraw/zinc/06/81/48/385068148.db2.gz KFESTBSZFJPKJP-HTQZYQBOSA-N 0 0 212.195 2.241 10 0 BEAERN CC(=O)CC[N@@H+]1CCc2ccsc2C1 ZINC000060193824 385071569 /nfs/dbraw/zinc/07/15/69/385071569.db2.gz ZKIIFWTVLWXCLB-UHFFFAOYSA-N 0 0 209.314 2.085 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(F)cc1C ZINC000165193100 385080422 /nfs/dbraw/zinc/08/04/22/385080422.db2.gz IWLZMWBBJDOVTI-SECBINFHSA-N 0 0 226.247 2.322 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(F)cc1C ZINC000165192998 385082808 /nfs/dbraw/zinc/08/28/08/385082808.db2.gz IWLZMWBBJDOVTI-VIFPVBQESA-N 0 0 226.247 2.322 10 0 BEAERN Fc1cc(-c2cc[nH]n2)ccc1-n1ccnc1 ZINC000058824536 385025867 /nfs/dbraw/zinc/02/58/67/385025867.db2.gz ZKNORXKIECIURX-UHFFFAOYSA-N 0 0 228.230 2.402 10 0 BEAERN COC(=O)c1c[nH]c(=S)nc1-c1ccccc1 ZINC000058827087 385027783 /nfs/dbraw/zinc/02/77/83/385027783.db2.gz BLJZKHDJJWCXEJ-UHFFFAOYSA-N 0 0 246.291 2.219 10 0 BEAERN c1cnc2n[nH]c(CO[C@H]3CCCCO3)c2c1 ZINC000059043884 385039808 /nfs/dbraw/zinc/03/98/08/385039808.db2.gz DTTGMZNLJTYNOP-NSHDSACASA-N 0 0 233.271 2.001 10 0 BEAERN Cc1csc(NC(=O)[C@@H]2CCCO[C@@H]2C)n1 ZINC000188970875 385110247 /nfs/dbraw/zinc/11/02/47/385110247.db2.gz RJYTZFLDOBOMSL-RKDXNWHRSA-N 0 0 240.328 2.205 10 0 BEAERN Cc1ccnc(N[C@H]2CCCC[C@H]2O)c1 ZINC000052006096 385113153 /nfs/dbraw/zinc/11/31/53/385113153.db2.gz SIJKFIWPCUIUOS-WDEREUQCSA-N 0 0 206.289 2.105 10 0 BEAERN Cc1ccnc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000188804858 385089636 /nfs/dbraw/zinc/08/96/36/385089636.db2.gz GCUSXTOGKUVQLH-QWRGUYRKSA-N 0 0 234.299 2.144 10 0 BEAERN Cc1ccnc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000188804837 385091695 /nfs/dbraw/zinc/09/16/95/385091695.db2.gz GCUSXTOGKUVQLH-WDEREUQCSA-N 0 0 234.299 2.144 10 0 BEAERN CN(C[C@@H](O)C(F)(F)F)c1ccccc1F ZINC000109706840 385186041 /nfs/dbraw/zinc/18/60/41/385186041.db2.gz FZQNKKNLOSSDIB-SECBINFHSA-N 0 0 237.196 2.185 10 0 BEAERN C[C@@H](O)c1ccc(F)cc1OC(F)F ZINC000062748906 385187288 /nfs/dbraw/zinc/18/72/88/385187288.db2.gz HNONPQNUQKFOEB-RXMQYKEDSA-N 0 0 206.163 2.480 10 0 BEAERN CCOc1ccc(C[C@@H](C)O)cc1OCC ZINC000058002199 385197337 /nfs/dbraw/zinc/19/73/37/385197337.db2.gz INEUWVHUWFSHJP-SNVBAGLBSA-N 0 0 224.300 2.407 10 0 BEAERN C/C=C/C[S@](=O)Cc1nccn1C(C)C ZINC000176838016 385152955 /nfs/dbraw/zinc/15/29/55/385152955.db2.gz UJTFJCXZGJFSST-RGDDUWESSA-N 0 0 226.345 2.289 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1O ZINC000189400231 385155758 /nfs/dbraw/zinc/15/57/58/385155758.db2.gz DWAZNUPXGWNMLS-JQWIXIFHSA-N 0 0 249.310 2.454 10 0 BEAERN [NH3+][C@H](C1CCCCC1)C1(C(=O)[O-])CCC1 ZINC000259307855 385180345 /nfs/dbraw/zinc/18/03/45/385180345.db2.gz IHJAIRXTNDGOQF-SNVBAGLBSA-N 0 0 211.305 2.149 10 0 BEAERN [NH3+][C@@H](C1CCCCC1)C1(C(=O)[O-])CCC1 ZINC000259307851 385180376 /nfs/dbraw/zinc/18/03/76/385180376.db2.gz IHJAIRXTNDGOQF-JTQLQIEISA-N 0 0 211.305 2.149 10 0 BEAERN Nc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000063158540 385214914 /nfs/dbraw/zinc/21/49/14/385214914.db2.gz VKXFWABQILNVKP-SNVBAGLBSA-N 0 0 215.256 2.120 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccccc1 ZINC000190219812 385222829 /nfs/dbraw/zinc/22/28/29/385222829.db2.gz RQGIMAVWROMVME-JSGCOSHPSA-N 0 0 247.338 2.460 10 0 BEAERN CCCC[C@@H](CCC)SC[C@H](O)CO ZINC000177406420 385236568 /nfs/dbraw/zinc/23/65/68/385236568.db2.gz GPWSSTHJSKRZJQ-GHMZBOCLSA-N 0 0 220.378 2.432 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C(=O)NCCCO ZINC000033506482 385240944 /nfs/dbraw/zinc/24/09/44/385240944.db2.gz VBXWUOYNNYFRAX-UPJWGTAASA-N 0 0 241.375 2.193 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCc1cccs1 ZINC000190517551 385244714 /nfs/dbraw/zinc/24/47/14/385244714.db2.gz VLKFYGVFBGJHAI-GXSJLCMTSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@@H]1CN(c2ccnc(C3CC3)n2)CCS1 ZINC000110540987 385246618 /nfs/dbraw/zinc/24/66/18/385246618.db2.gz FQARUFKOQXOGKO-SECBINFHSA-N 0 0 235.356 2.296 10 0 BEAERN CCOc1ccc(C#N)c(OCC)c1F ZINC000575647124 385204039 /nfs/dbraw/zinc/20/40/39/385204039.db2.gz CVETXEPRROSHSB-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN Cc1c(CNc2ccc(C)nc2)cnn1C ZINC000154266837 385311963 /nfs/dbraw/zinc/31/19/63/385311963.db2.gz YYXKMYZVOIFOFD-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN Cc1nc(Cl)cc(NC2CCC(O)CC2)n1 ZINC000052835854 385320380 /nfs/dbraw/zinc/32/03/80/385320380.db2.gz BDTFPPBIVBYDOG-UHFFFAOYSA-N 0 0 241.722 2.154 10 0 BEAERN C[N@H+](C1CCCC1)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000062751334 385260276 /nfs/dbraw/zinc/26/02/76/385260276.db2.gz RKPWSNFVXQVJNK-QWRGUYRKSA-N 0 0 211.305 2.114 10 0 BEAERN CCc1cc(C(C)=O)c(C#N)cc1C=O ZINC000575647288 385264867 /nfs/dbraw/zinc/26/48/67/385264867.db2.gz RLSGMEHXSXIYGY-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN COC(=O)c1c(N)scc1C(C)(C)C ZINC000015440719 385270433 /nfs/dbraw/zinc/27/04/33/385270433.db2.gz HMQYLLAFKIOSMU-UHFFFAOYSA-N 0 0 213.302 2.414 10 0 BEAERN COC(=O)c1cc2cc(OC)ccc2o1 ZINC000034407963 385278294 /nfs/dbraw/zinc/27/82/94/385278294.db2.gz IIYBASHGWDCRPV-UHFFFAOYSA-N 0 0 206.197 2.228 10 0 BEAERN CCc1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1 ZINC000130774184 385284890 /nfs/dbraw/zinc/28/48/90/385284890.db2.gz FVURLPFYBNINGF-TXEJJXNPSA-N 0 0 247.338 2.498 10 0 BEAERN CCc1cc(OC)cc(C#N)c1[N+](=O)[O-] ZINC000575647412 385289538 /nfs/dbraw/zinc/28/95/38/385289538.db2.gz LEYGKAURNDTXRF-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1cnc([C@@H](C)N[C@@H]2COC(C)(C)C2)o1 ZINC000335353264 385296755 /nfs/dbraw/zinc/29/67/55/385296755.db2.gz CLOVLMKAZYNAIX-ZJUUUORDSA-N 0 0 224.304 2.201 10 0 BEAERN O=C([O-])C1CCC([NH+]2CCC(CF)CC2)CC1 ZINC000409424537 385331977 /nfs/dbraw/zinc/33/19/77/385331977.db2.gz CKXFDNJEUPAJLP-UHFFFAOYSA-N 0 0 243.322 2.311 10 0 BEAERN Cc1cnn([C@H]2CCCN(Cc3cocn3)C2)c1 ZINC000191941880 385335363 /nfs/dbraw/zinc/33/53/63/385335363.db2.gz LNUSFVXMMGDRRB-ZDUSSCGKSA-N 0 0 246.314 2.017 10 0 BEAERN CC[C@H]1CNc2cc(Cl)cnc2N1C ZINC000149611043 385353102 /nfs/dbraw/zinc/35/31/02/385353102.db2.gz IZGDTEZNMIXURS-QMMMGPOBSA-N 0 0 211.696 2.375 10 0 BEAERN CC[C@@H]1CNc2cc(Cl)cnc2N1C ZINC000149610853 385353852 /nfs/dbraw/zinc/35/38/52/385353852.db2.gz IZGDTEZNMIXURS-MRVPVSSYSA-N 0 0 211.696 2.375 10 0 BEAERN C[C@]12CCCN1C(=O)N(c1ccc(F)cc1)C2=O ZINC000192402351 385357050 /nfs/dbraw/zinc/35/70/50/385357050.db2.gz MMVDHYXPFOYRQQ-CYBMUJFWSA-N 0 0 248.257 2.147 10 0 BEAERN Cn1cc([C@H]2CCCN2Cc2cncs2)cn1 ZINC000131833732 385364949 /nfs/dbraw/zinc/36/49/49/385364949.db2.gz SMVPDPIRGPZTLC-GFCCVEGCSA-N 0 0 248.355 2.214 10 0 BEAERN CCOc1cc2nccc(NN)c2cc1OCC ZINC000051151901 385413730 /nfs/dbraw/zinc/41/37/30/385413730.db2.gz KDQUDXIGNQBOJH-UHFFFAOYSA-N 0 0 247.298 2.318 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2OCC[C@H]2C)c(O)c1 ZINC000155943951 385423609 /nfs/dbraw/zinc/42/36/09/385423609.db2.gz LSUWYMYNNNPTIH-SKDRFNHKSA-N 0 0 235.283 2.064 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C)o1 ZINC000170806405 385447472 /nfs/dbraw/zinc/44/74/72/385447472.db2.gz RSSMPLOJKCRWJI-UJNFCWOMSA-N 0 0 222.288 2.357 10 0 BEAERN Nc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000378582906 385448945 /nfs/dbraw/zinc/44/89/45/385448945.db2.gz PPLXFPIOEXMCFZ-GFCCVEGCSA-N 0 0 230.311 2.141 10 0 BEAERN CCN(CCc1ccccc1)C(=O)[C@@H](C)COC ZINC000171443221 385484411 /nfs/dbraw/zinc/48/44/11/385484411.db2.gz UQKOUSPYLMEGPI-ZDUSSCGKSA-N 0 0 249.354 2.360 10 0 BEAERN CC(C)C[N@@H+]1CCC[C@H](CC(=O)[O-])CC1 ZINC000257652387 385486956 /nfs/dbraw/zinc/48/69/56/385486956.db2.gz GLPQAAHYEHEIDT-NSHDSACASA-N 0 0 213.321 2.219 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000171455270 385487238 /nfs/dbraw/zinc/48/72/38/385487238.db2.gz VDCXHNUNOJOLGQ-OLZOCXBDSA-N 0 0 249.354 2.325 10 0 BEAERN COC[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000179902962 385499456 /nfs/dbraw/zinc/49/94/56/385499456.db2.gz SGMRDFUWOXIFAC-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN Nc1cc(Br)ccc1[C@@H](O)C1CC1 ZINC000258161980 385548758 /nfs/dbraw/zinc/54/87/58/385548758.db2.gz FXHPCCNDZRIOCD-JTQLQIEISA-N 0 0 242.116 2.475 10 0 BEAERN O=C(c1cccs1)N1CCC[C@@]12CCOC2 ZINC000309338281 385538601 /nfs/dbraw/zinc/53/86/01/385538601.db2.gz KNRYNYHUJQLJPL-LBPRGKRZSA-N 0 0 237.324 2.143 10 0 BEAERN Cc1occc1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000150791461 134455009 /nfs/dbraw/zinc/45/50/09/134455009.db2.gz VPLAVQMYGHQZFR-BXKDBHETSA-N 0 0 237.299 2.114 10 0 BEAERN COC[C@H](C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000150832216 134455702 /nfs/dbraw/zinc/45/57/02/134455702.db2.gz MLDXINVVGJJJCT-WOPDTQHZSA-N 0 0 227.348 2.306 10 0 BEAERN CC(C)Cn1cc(C(=O)N[C@@H](C)C(C)C)cn1 ZINC000180513325 385527302 /nfs/dbraw/zinc/52/73/02/385527302.db2.gz QIBBTSFBKVTJKA-NSHDSACASA-N 0 0 237.347 2.313 10 0 BEAERN Cc1csc(N[C@@H]2CCCC[C@H]2O)n1 ZINC000052007186 385604442 /nfs/dbraw/zinc/60/44/42/385604442.db2.gz QVXMYRPKCJJROQ-RKDXNWHRSA-N 0 0 212.318 2.167 10 0 BEAERN COc1ccc2c(c1)[C@]1(C)CC(=O)[C@@H]1C2 ZINC000196456760 385583639 /nfs/dbraw/zinc/58/36/39/385583639.db2.gz AZYUAAQUVFMTSR-AAEUAGOBSA-N 0 0 202.253 2.098 10 0 BEAERN CCOC(=O)c1cc(N)cc(C(F)(F)F)c1O ZINC000259880135 385586790 /nfs/dbraw/zinc/58/67/90/385586790.db2.gz CCUCLDTXJJFSGY-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCC[C@@H](CC(C)C)C(=O)NCC1CC(O)C1 ZINC000307998803 385613663 /nfs/dbraw/zinc/61/36/63/385613663.db2.gz NHIPONUAACAXHZ-CPCZMJQVSA-N 0 0 241.375 2.336 10 0 BEAERN Nc1ccc(O)c(F)c1OC(F)(F)F ZINC000306941794 385657661 /nfs/dbraw/zinc/65/76/61/385657661.db2.gz RHKIFAAEZWEMOP-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN C[C@@H](NCc1cncs1)c1ccccn1 ZINC000054770155 385660422 /nfs/dbraw/zinc/66/04/22/385660422.db2.gz ODVNEENZUXFKGZ-SECBINFHSA-N 0 0 219.313 2.389 10 0 BEAERN CCOC(=O)c1cc(C)c(F)cc1OC ZINC000260070619 385662534 /nfs/dbraw/zinc/66/25/34/385662534.db2.gz JBXANRMVSCGTQO-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN On1c2cc(F)ccc2nc1-c1cccnc1 ZINC000253574261 385683690 /nfs/dbraw/zinc/68/36/90/385683690.db2.gz SJDAEXZSTBIIHN-UHFFFAOYSA-N 0 0 229.214 2.475 10 0 BEAERN CC[C@H]1C(=O)CCCN1C(=O)OC(C)(C)C ZINC000211452560 385685164 /nfs/dbraw/zinc/68/51/64/385685164.db2.gz FIALHFQFLJBDQS-VIFPVBQESA-N 0 0 227.304 2.365 10 0 BEAERN OCc1cccc2nc(-c3cccnc3)oc21 ZINC000211734821 385692210 /nfs/dbraw/zinc/69/22/10/385692210.db2.gz JVVUZEXVKVAMRV-UHFFFAOYSA-N 0 0 226.235 2.382 10 0 BEAERN CO[C@H]1C[C@@H](Nc2ncc(Cl)s2)C1 ZINC000306967365 385727887 /nfs/dbraw/zinc/72/78/87/385727887.db2.gz PSKSACRIDPXETC-OLQVQODUSA-N 0 0 218.709 2.386 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)SC ZINC000308233710 385754244 /nfs/dbraw/zinc/75/42/44/385754244.db2.gz PYQXEBIBBKMQHE-YIZRAAEISA-N 0 0 201.335 2.043 10 0 BEAERN COc1nn(C)cc1N[C@@H](C)c1cncs1 ZINC000336698980 385754834 /nfs/dbraw/zinc/75/48/34/385754834.db2.gz MZJCBXMEGUFULT-ZETCQYMHSA-N 0 0 238.316 2.058 10 0 BEAERN Cc1cc(C)cc(C2=CCS(=O)(=O)C2)c1 ZINC000040173718 385762579 /nfs/dbraw/zinc/76/25/79/385762579.db2.gz WMLGVQZSSBUFNP-UHFFFAOYSA-N 0 0 222.309 2.115 10 0 BEAERN Cc1nsc(NC2(C3CC3)CCOCC2)n1 ZINC000309641272 385765830 /nfs/dbraw/zinc/76/58/30/385765830.db2.gz OTBZDFWKHCAGBC-UHFFFAOYSA-N 0 0 239.344 2.218 10 0 BEAERN COC(=O)Cc1cc(O)c(Cl)cc1C ZINC000259875969 385787323 /nfs/dbraw/zinc/78/73/23/385787323.db2.gz BWMPMRQVHDRSMD-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H]2CSC[C@@H]2C)n1 ZINC000309659956 385778858 /nfs/dbraw/zinc/77/88/58/385778858.db2.gz APQOZXIVCGTXFM-IMTBSYHQSA-N 0 0 241.335 2.396 10 0 BEAERN C[C@H]1C[C@H]1Nc1ccccc1C(N)=S ZINC000052292546 385721269 /nfs/dbraw/zinc/72/12/69/385721269.db2.gz ARRSGTBENRXIPG-OIBJUYFYSA-N 0 0 206.314 2.141 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(OC)c1O ZINC000231694758 385813689 /nfs/dbraw/zinc/81/36/89/385813689.db2.gz NHBTYNXOQMHLBQ-GXSJLCMTSA-N 0 0 249.310 2.319 10 0 BEAERN CC[C@H](Nc1cccc([C@@H](C)OC)c1)C(N)=O ZINC000112541867 385844935 /nfs/dbraw/zinc/84/49/35/385844935.db2.gz OLEXVVFSINTFFN-SKDRFNHKSA-N 0 0 236.315 2.070 10 0 BEAERN COC(=O)C(=O)c1cc(C)ccc1Cl ZINC000260116137 385789728 /nfs/dbraw/zinc/78/97/28/385789728.db2.gz LMYUEQZKJXLYIO-UHFFFAOYSA-N 0 0 212.632 2.004 10 0 BEAERN C[C@H](C(F)F)n1ccc(=O)[nH]c1=S ZINC000307308859 385795767 /nfs/dbraw/zinc/79/57/67/385795767.db2.gz FACHOXBGXGDCCN-SCSAIBSYSA-N 0 0 206.217 2.144 10 0 BEAERN CC(C)C(=O)N[C@H]1CC[C@H](C)SC1 ZINC000575533386 385889180 /nfs/dbraw/zinc/88/91/80/385889180.db2.gz BPGDUJSIRKXPPV-IUCAKERBSA-N 0 0 201.335 2.043 10 0 BEAERN CSc1nnc(CNc2ccccn2)s1 ZINC000336742143 385928860 /nfs/dbraw/zinc/92/88/60/385928860.db2.gz WLERLWODJSVDRG-UHFFFAOYSA-N 0 0 238.341 2.267 10 0 BEAERN Nc1noc([C@@H]2CC23CC3)c1Br ZINC000575537654 385923729 /nfs/dbraw/zinc/92/37/29/385923729.db2.gz HOLZJRIMQRYCMH-BYPYZUCNSA-N 0 0 229.077 2.117 10 0 BEAERN CC(C)(C)[C@@H](NN)c1ccoc1Cl ZINC000232493330 385872036 /nfs/dbraw/zinc/87/20/36/385872036.db2.gz CLRIHZKCKLVWLL-ZETCQYMHSA-N 0 0 202.685 2.484 10 0 BEAERN CC(C)=CCNc1nc(C)nc(C)c1F ZINC000336749114 385994831 /nfs/dbraw/zinc/99/48/31/385994831.db2.gz DWHWNZLSJRWNEE-UHFFFAOYSA-N 0 0 209.268 2.033 10 0 BEAERN Cc1cc(OCC(C)C)nc(Cl)n1 ZINC000052813865 385992992 /nfs/dbraw/zinc/99/29/92/385992992.db2.gz CNQIIVRZTYWWAR-UHFFFAOYSA-N 0 0 200.669 2.473 10 0 BEAERN CS[C@@H]1CC[C@@H]1Nc1nsnc1Cl ZINC000575558356 385998689 /nfs/dbraw/zinc/99/86/89/385998689.db2.gz CWGLUJDUNKDKBX-CRCLSJGQSA-N 0 0 235.765 2.497 10 0 BEAERN Cc1nc(C)c(F)c(NCCC(C)C)n1 ZINC000336769815 386005403 /nfs/dbraw/zinc/00/54/03/386005403.db2.gz VXLGOYFTUIWAHB-UHFFFAOYSA-N 0 0 211.284 2.112 10 0 BEAERN COC(=O)c1c(O)ccc(C)c1Cl ZINC000261117482 386008347 /nfs/dbraw/zinc/00/83/47/386008347.db2.gz HREYCBMJBARRNR-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CCCc1nsc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000309454824 386012316 /nfs/dbraw/zinc/01/23/16/386012316.db2.gz MBIAZWYNRCCHSI-BDAKNGLRSA-N 0 0 241.360 2.206 10 0 BEAERN CC[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000189480228 386013381 /nfs/dbraw/zinc/01/33/81/386013381.db2.gz FIRGIVZVCVEJQC-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN CCOC(=O)c1cnc(C(F)(F)F)c(F)c1 ZINC000261213351 386016136 /nfs/dbraw/zinc/01/61/36/386016136.db2.gz QQVUXTYPBAOLGK-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CC[S@](=O)Nc1ccc(O)cc1Cl ZINC000306848655 386019245 /nfs/dbraw/zinc/01/92/45/386019245.db2.gz MVIAUJNSWWKXEE-ZDUSSCGKSA-N 0 0 219.693 2.141 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000051850355 386030983 /nfs/dbraw/zinc/03/09/83/386030983.db2.gz YFUVQMQOAAUNBV-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000112834751 386121755 /nfs/dbraw/zinc/12/17/55/386121755.db2.gz WXQARDXMBWHNHU-WHOHXGKFSA-N 0 0 227.348 2.210 10 0 BEAERN COc1cccc(C(=O)N2C[C@H]3CCC[C@@H]32)c1O ZINC000334435859 386058851 /nfs/dbraw/zinc/05/88/51/386058851.db2.gz ZPKHGJLEIBZAPG-KOLCDFICSA-N 0 0 247.294 2.025 10 0 BEAERN COC(=O)C[C@H]1COc2cc3c(cc21)CCC3 ZINC000606304042 386071695 /nfs/dbraw/zinc/07/16/95/386071695.db2.gz MTIZVAGEDUORET-NSHDSACASA-N 0 0 232.279 2.214 10 0 BEAERN O=C(c1cccc(O)c1)N1C[C@@H]2CCC[C@H]21 ZINC000334446232 386081648 /nfs/dbraw/zinc/08/16/48/386081648.db2.gz PFRBWTMCTSMELV-CMPLNLGQSA-N 0 0 217.268 2.017 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NC1CCC(F)(F)CC1 ZINC000334449545 386087132 /nfs/dbraw/zinc/08/71/32/386087132.db2.gz SEYOHELCLYNPQC-IONNQARKSA-N 0 0 232.274 2.272 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NC1CCC(F)(F)CC1 ZINC000334449544 386087252 /nfs/dbraw/zinc/08/72/52/386087252.db2.gz SEYOHELCLYNPQC-CBAPKCEASA-N 0 0 232.274 2.272 10 0 BEAERN O=C([C@@H]1CCc2ccccc21)N1CCSCC1 ZINC000334451132 386088420 /nfs/dbraw/zinc/08/84/20/386088420.db2.gz UVQJLZIHQIAFMQ-CYBMUJFWSA-N 0 0 247.363 2.292 10 0 BEAERN CC1(C)OCC[C@]1(O)Cc1ccsc1 ZINC000307717600 386095355 /nfs/dbraw/zinc/09/53/55/386095355.db2.gz JYLVPGWAETYJLU-NSHDSACASA-N 0 0 212.314 2.221 10 0 BEAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)n(C)n1 ZINC000414368314 386155391 /nfs/dbraw/zinc/15/53/91/386155391.db2.gz SJYUKQBEUQFQLH-ZYHUDNBSSA-N 0 0 207.321 2.007 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000424889349 386130837 /nfs/dbraw/zinc/13/08/37/386130837.db2.gz JBBMLORHSWMOHO-XQHKEYJVSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H](NC(=O)c1ccc(Cl)o1)[C@H]1CCCO1 ZINC000027890654 386135091 /nfs/dbraw/zinc/13/50/91/386135091.db2.gz FOLHMMRDQMUVSD-JGVFFNPUSA-N 0 0 243.690 2.230 10 0 BEAERN Clc1cncc([C@@H]2NCCCS2)c1 ZINC000575579756 386219862 /nfs/dbraw/zinc/21/98/62/386219862.db2.gz ZJGAARANLZRSQA-SECBINFHSA-N 0 0 214.721 2.460 10 0 BEAERN CC[C@@H](NC(=O)NC(C)C)c1nccs1 ZINC000125281807 386242128 /nfs/dbraw/zinc/24/21/28/386242128.db2.gz UZYQPEKWZQCPHO-MRVPVSSYSA-N 0 0 227.333 2.302 10 0 BEAERN C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)CO ZINC000133407129 386321029 /nfs/dbraw/zinc/32/10/29/386321029.db2.gz KSEKZKTZMRBKAN-VXGBXAGGSA-N 0 0 249.354 2.097 10 0 BEAERN CCN1C[C@@H](c2conn2)Nc2ccccc21 ZINC000616681617 386263223 /nfs/dbraw/zinc/26/32/23/386263223.db2.gz RJOHTFVLWMPDOG-JTQLQIEISA-N 0 0 230.271 2.063 10 0 BEAERN Cn1c(N2C[C@H]3CCC[C@@H]32)nnc1C(C)(C)C ZINC000334490680 386340093 /nfs/dbraw/zinc/34/00/93/386340093.db2.gz SFZYJBMYKSYGHZ-ZJUUUORDSA-N 0 0 234.347 2.101 10 0 BEAERN CN(C(=O)N1C[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000335270895 386357736 /nfs/dbraw/zinc/35/77/36/386357736.db2.gz XQPQZDALNHVHEJ-JQWIXIFHSA-N 0 0 222.332 2.465 10 0 BEAERN Brc1noc([C@]23C[C@H]2CCC3)n1 ZINC000575596095 386378524 /nfs/dbraw/zinc/37/85/24/386378524.db2.gz SEIAUJCUPZMCME-SVGQVSJJSA-N 0 0 229.077 2.274 10 0 BEAERN CCN(CC)c1cnnc(Br)c1 ZINC000521400142 386444742 /nfs/dbraw/zinc/44/47/42/386444742.db2.gz CDRVCVVMMCMGDB-UHFFFAOYSA-N 0 0 230.109 2.085 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c(C)c1 ZINC000399197436 386445782 /nfs/dbraw/zinc/44/57/82/386445782.db2.gz BDFHUWWDJALOGG-STQMWFEESA-N 0 0 247.338 2.289 10 0 BEAERN CC(C)CC[C@@H]([NH3+])C[C@H](C)CC(=O)[O-] ZINC000521400535 386446252 /nfs/dbraw/zinc/44/62/52/386446252.db2.gz AEUGXLQMCCKHKC-VHSXEESVSA-N 0 0 201.310 2.251 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCS[C@@H]1C ZINC000645399874 386409272 /nfs/dbraw/zinc/40/92/72/386409272.db2.gz XISJHYWXDMZPKH-NXEZZACHSA-N 0 0 237.372 2.328 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)CCC(C)(C)C ZINC000399279717 386478814 /nfs/dbraw/zinc/47/88/14/386478814.db2.gz ZHMGNZAAZUAXTD-QWRGUYRKSA-N 0 0 227.348 2.185 10 0 BEAERN C[C@H](Nc1nccn(C2CC2)c1=O)c1ccco1 ZINC000061763106 386481403 /nfs/dbraw/zinc/48/14/03/386481403.db2.gz OJUYUPMAGXEDEY-VIFPVBQESA-N 0 0 245.282 2.344 10 0 BEAERN Nc1noc2ccc(OC(F)(F)F)cc12 ZINC000299889033 386497697 /nfs/dbraw/zinc/49/76/97/386497697.db2.gz CKQWMCTVZYPORF-UHFFFAOYSA-N 0 0 218.134 2.309 10 0 BEAERN COC(=O)c1ccnc2cccc(C)c21 ZINC000299889496 386498100 /nfs/dbraw/zinc/49/81/00/386498100.db2.gz KEJLVURVMFYUGB-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN C[C@H]1CC[C@H](O)CN1c1ncnc2ccsc21 ZINC000399320369 386500603 /nfs/dbraw/zinc/50/06/03/386500603.db2.gz IAXMFAAGLFWWOY-IUCAKERBSA-N 0 0 249.339 2.041 10 0 BEAERN Cc1cc(C)cc(C(=O)N2C[C@H](O)CC[C@@H]2C)c1 ZINC000399209893 386455738 /nfs/dbraw/zinc/45/57/38/386455738.db2.gz FNVNWJNTIOOAEP-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN N#Cc1cc(C(F)F)c(CO)cc1F ZINC000575643506 386581045 /nfs/dbraw/zinc/58/10/45/386581045.db2.gz RCVGQGRXTMJEPA-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCOc1cc(C#N)cc(C(C)=O)c1F ZINC000575644038 386583178 /nfs/dbraw/zinc/58/31/78/386583178.db2.gz UXSOLZGWTBNSGZ-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238830454 386535618 /nfs/dbraw/zinc/53/56/18/386535618.db2.gz FUEDIZLDOFYUPY-LLVKDONJSA-N 0 0 248.326 2.107 10 0 BEAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccco1 ZINC000267384746 386538237 /nfs/dbraw/zinc/53/82/37/386538237.db2.gz HKIDOSGWBJAHCB-JQWIXIFHSA-N 0 0 237.299 2.071 10 0 BEAERN CC(C)=CC(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238916713 386539348 /nfs/dbraw/zinc/53/93/48/386539348.db2.gz SPMUXSMEIZMZLU-GFCCVEGCSA-N 0 0 246.310 2.028 10 0 BEAERN Cc1cc(N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575639016 386558996 /nfs/dbraw/zinc/55/89/96/386558996.db2.gz YZFJSAJLKBXFQC-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COC(=O)c1ccc(C)c(C(F)(F)F)c1N ZINC000575639544 386563387 /nfs/dbraw/zinc/56/33/87/386563387.db2.gz HZNZOFTVOSUFNT-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CC(C)C(C)(C)CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000187645727 386567639 /nfs/dbraw/zinc/56/76/39/386567639.db2.gz XXQNSYVSHNZFEK-WDEREUQCSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1cc(C(=O)OC2CCC2)nc(Cl)n1 ZINC000300969652 386635477 /nfs/dbraw/zinc/63/54/77/386635477.db2.gz WSYJLVHIFFKAGH-UHFFFAOYSA-N 0 0 226.663 2.148 10 0 BEAERN FC1(F)CC(c2nc(Br)no2)C1 ZINC000307429058 386650197 /nfs/dbraw/zinc/65/01/97/386650197.db2.gz TWAMKAZNGCMPIU-UHFFFAOYSA-N 0 0 239.019 2.345 10 0 BEAERN O=C(NC1CCCC1)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000645096417 386710993 /nfs/dbraw/zinc/71/09/93/386710993.db2.gz RFXCGCKLMNUNET-MVWJERBFSA-N 0 0 222.332 2.417 10 0 BEAERN C[C@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H](C)O1 ZINC000335467998 386683908 /nfs/dbraw/zinc/68/39/08/386683908.db2.gz RLPTVVXWXQDAJP-PZFKGIAWSA-N 0 0 237.343 2.203 10 0 BEAERN CCc1cc(C)c(C(=O)NCC[C@H](O)CC)o1 ZINC000121228854 386692824 /nfs/dbraw/zinc/69/28/24/386692824.db2.gz OVRZVHVJWVRLHO-SNVBAGLBSA-N 0 0 239.315 2.041 10 0 BEAERN C[C@@H](Nc1cnc(Cl)cn1)C(F)F ZINC000307525447 386702285 /nfs/dbraw/zinc/70/22/85/386702285.db2.gz FZVTVFWDFSQKKM-SCSAIBSYSA-N 0 0 207.611 2.196 10 0 BEAERN C[C@H](Nc1cnc(Cl)cn1)C(F)F ZINC000307525446 386703115 /nfs/dbraw/zinc/70/31/15/386703115.db2.gz FZVTVFWDFSQKKM-BYPYZUCNSA-N 0 0 207.611 2.196 10 0 BEAERN CCN(C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000122071384 386735610 /nfs/dbraw/zinc/73/56/10/386735610.db2.gz RGTONNQIDVNIKA-VXGBXAGGSA-N 0 0 218.300 2.204 10 0 BEAERN Nc1nnc([C@@H]2CCCCC2(F)F)s1 ZINC000306698975 386724158 /nfs/dbraw/zinc/72/41/58/386724158.db2.gz DGCIOADRMYJKEM-YFKPBYRVSA-N 0 0 219.260 2.413 10 0 BEAERN O=C(c1cn[nH]c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114437918 386748542 /nfs/dbraw/zinc/74/85/42/386748542.db2.gz AKCXJIKSHLANIA-CQSZACIVSA-N 0 0 245.326 2.372 10 0 BEAERN COc1cccc(C(=O)C(C)(C)OC(C)=O)c1 ZINC000575358308 386752424 /nfs/dbraw/zinc/75/24/24/386752424.db2.gz GMDILUZZYPTKIG-UHFFFAOYSA-N 0 0 236.267 2.220 10 0 BEAERN CCN1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000120482643 386754262 /nfs/dbraw/zinc/75/42/62/386754262.db2.gz SAXONYSCLHTKGP-LLVKDONJSA-N 0 0 219.284 2.173 10 0 BEAERN CC(=O)OCC(=O)c1ccccc1OC(C)C ZINC000575359130 386761580 /nfs/dbraw/zinc/76/15/80/386761580.db2.gz RHWBLKVDCCLFSZ-UHFFFAOYSA-N 0 0 236.267 2.220 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000344854874 386764786 /nfs/dbraw/zinc/76/47/86/386764786.db2.gz RLJXPPZDSMNLME-VOAKCMCISA-N 0 0 239.359 2.042 10 0 BEAERN CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493879 386791550 /nfs/dbraw/zinc/79/15/50/386791550.db2.gz JFEFKCANIFWZHZ-JSGCOSHPSA-N 0 0 236.359 2.073 10 0 BEAERN C[C@@H](O)CN1CCCC[C@H]1c1nccs1 ZINC000248775419 386795797 /nfs/dbraw/zinc/79/57/97/386795797.db2.gz UJEQSUNLAJMXKO-ZJUUUORDSA-N 0 0 226.345 2.051 10 0 BEAERN O=C(CC1CCC1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334756861 386816984 /nfs/dbraw/zinc/81/69/84/386816984.db2.gz VNOAEPOUQBFBNB-CHWSQXEVSA-N 0 0 249.354 2.204 10 0 BEAERN O=C(CC1CCC1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334756863 386817790 /nfs/dbraw/zinc/81/77/90/386817790.db2.gz VNOAEPOUQBFBNB-QWHCGFSZSA-N 0 0 249.354 2.204 10 0 BEAERN CCOC(=O)c1ccc(C)c(OC(F)(F)F)n1 ZINC000575375135 386798737 /nfs/dbraw/zinc/79/87/37/386798737.db2.gz QBFBSYPHTSENKT-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1c(C)ccnc1OC(F)(F)F ZINC000575375185 386799099 /nfs/dbraw/zinc/79/90/99/386799099.db2.gz VTORPCLQWOQJLG-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN COC(=O)Cc1cnc(OC(F)(F)F)cc1C ZINC000575375186 386799445 /nfs/dbraw/zinc/79/94/45/386799445.db2.gz VUFBTLVHNUGXLG-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cc(OC(F)(F)F)cnc1C ZINC000575375138 386800258 /nfs/dbraw/zinc/80/02/58/386800258.db2.gz QDVPIBFAEXDNPZ-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1cncc(OC(F)(F)F)c1C ZINC000575374982 386800575 /nfs/dbraw/zinc/80/05/75/386800575.db2.gz FCOOXVOIFYDLMI-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cc(OC(F)(F)F)c(C)cn1 ZINC000575375125 386800814 /nfs/dbraw/zinc/80/08/14/386800814.db2.gz OJXILXFPWRAIOX-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CC(C)(C)[C@H](O)CSc1nncs1 ZINC000283211081 386827123 /nfs/dbraw/zinc/82/71/23/386827123.db2.gz ZDEDUHWAEUEYJJ-ZCFIWIBFSA-N 0 0 218.347 2.037 10 0 BEAERN Cc1cc(C)nc(NC[C@@H](O)C2CCCC2)n1 ZINC000301301999 386834370 /nfs/dbraw/zinc/83/43/70/386834370.db2.gz VTKLSWLNYNPOFL-GFCCVEGCSA-N 0 0 235.331 2.056 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)c1sccc1F ZINC000324296554 386842329 /nfs/dbraw/zinc/84/23/29/386842329.db2.gz UQGOXJLMCUGGTH-MRVPVSSYSA-N 0 0 245.319 2.024 10 0 BEAERN CSc1ccc(N2CC[C@@H](C)[C@H]2C)nn1 ZINC000301492090 386847327 /nfs/dbraw/zinc/84/73/27/386847327.db2.gz OXHFDQWRIFPRKX-RKDXNWHRSA-N 0 0 223.345 2.433 10 0 BEAERN Cc1cnc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc1 ZINC000301843686 386885399 /nfs/dbraw/zinc/88/53/99/386885399.db2.gz RQTKGFXAWTVMIW-TUAOUCFPSA-N 0 0 247.342 2.035 10 0 BEAERN O=C(COCC1CC1)N1CCC[C@H]1c1ccco1 ZINC000116044627 386910644 /nfs/dbraw/zinc/91/06/44/386910644.db2.gz CDPATTYFFODUMA-LBPRGKRZSA-N 0 0 249.310 2.370 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047047 386912355 /nfs/dbraw/zinc/91/23/55/386912355.db2.gz AMSPVYLMOMRLRA-QWRGUYRKSA-N 0 0 237.299 2.226 10 0 BEAERN Cn1cccc1C(=O)CN1C[C@H]2CCCC[C@H]21 ZINC000368097863 386941482 /nfs/dbraw/zinc/94/14/82/386941482.db2.gz IHWKVCMXWAHGES-VXGBXAGGSA-N 0 0 232.327 2.082 10 0 BEAERN C[C@H]1CSC[C@@]1(O)CCC(F)(F)F ZINC000307634125 386961295 /nfs/dbraw/zinc/96/12/95/386961295.db2.gz OZXGWYOBNSAWJT-BQBZGAKWSA-N 0 0 214.252 2.443 10 0 BEAERN C[C@@H]1CSC[C@]1(O)CCC(F)(F)F ZINC000307634131 386961421 /nfs/dbraw/zinc/96/14/21/386961421.db2.gz OZXGWYOBNSAWJT-RNFRBKRXSA-N 0 0 214.252 2.443 10 0 BEAERN CSCCCCNC(=O)c1c(C)noc1C ZINC000126079471 386970559 /nfs/dbraw/zinc/97/05/59/386970559.db2.gz XBDIVIQLVNCDOS-UHFFFAOYSA-N 0 0 242.344 2.164 10 0 BEAERN CC[C@H](C)CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398786621 386990993 /nfs/dbraw/zinc/99/09/93/386990993.db2.gz OSZPFEJUVQRTIY-WUHRBBMRSA-N 0 0 239.359 2.042 10 0 BEAERN CCCn1cc(CNCc2c(C)noc2C)cn1 ZINC000116914982 386997153 /nfs/dbraw/zinc/99/71/53/386997153.db2.gz PDOYWIOAUDDQOC-UHFFFAOYSA-N 0 0 248.330 2.188 10 0 BEAERN CCOC(=O)c1ccc(OC)c(C(F)(F)F)n1 ZINC000575397458 386998117 /nfs/dbraw/zinc/99/81/17/386998117.db2.gz PIVFMWOMHUXXRY-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOC(=O)Cc1c(F)cc(OC)c(F)c1F ZINC000575397416 386998443 /nfs/dbraw/zinc/99/84/43/386998443.db2.gz BDKKMXXUWCOSTR-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN CCOC(=O)c1cnc(OC)c(C(F)(F)F)c1 ZINC000575397474 387000516 /nfs/dbraw/zinc/00/05/16/387000516.db2.gz UCRHQGZWRYIJSM-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN Clc1nncn1[C@H]1CCCSCC1 ZINC000575461462 387032320 /nfs/dbraw/zinc/03/23/20/387032320.db2.gz MZVKIKIYYMYYMX-ZETCQYMHSA-N 0 0 217.725 2.390 10 0 BEAERN O=C(c1cncs1)[C@H]1CSCCS1 ZINC000575461494 387032361 /nfs/dbraw/zinc/03/23/61/387032361.db2.gz NDFHKNVCKSUDBY-SSDOTTSWSA-N 0 0 231.367 2.174 10 0 BEAERN CC(C)Oc1ncnc(F)c1Br ZINC000575462353 387034032 /nfs/dbraw/zinc/03/40/32/387034032.db2.gz HFSVREWKJPVAAC-UHFFFAOYSA-N 0 0 235.056 2.165 10 0 BEAERN Cc1c(F)c(Br)ccc1[C@@H](C)NN ZINC000575577382 387035388 /nfs/dbraw/zinc/03/53/88/387035388.db2.gz XBYMHDXJVKUTLQ-ZCFIWIBFSA-N 0 0 247.111 2.421 10 0 BEAERN CCOc1cc(O)c(OC(F)F)c(C=O)c1 ZINC000575655763 387039066 /nfs/dbraw/zinc/03/90/66/387039066.db2.gz IGZBJARWOLLBSU-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(OC(F)F)cc(F)c1CO ZINC000575655731 387039248 /nfs/dbraw/zinc/03/92/48/387039248.db2.gz MAZUDORIQXZNAT-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1cc(OC)cc(OC(F)F)c1O ZINC000575656708 387041808 /nfs/dbraw/zinc/04/18/08/387041808.db2.gz MKLFPQNEDABVKX-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1cc(C)c(CO)cc1OC(F)F ZINC000575656759 387042500 /nfs/dbraw/zinc/04/25/00/387042500.db2.gz JYHLXIWDUZIHKX-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1cc(O)c(OC(F)F)cc1C=O ZINC000575657816 387044548 /nfs/dbraw/zinc/04/45/48/387044548.db2.gz WDTQGKDKJLKXDR-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(C)c(OC(F)F)c(CO)c1 ZINC000575657507 387045882 /nfs/dbraw/zinc/04/58/82/387045882.db2.gz NUTHWXHAMUGHKB-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1cc(C)cc(CO)c1OC(F)F ZINC000575658859 387047574 /nfs/dbraw/zinc/04/75/74/387047574.db2.gz WMOOXJNBCWQPNT-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCc1c(CO)ccc(OC)c1OC(F)F ZINC000575658403 387048134 /nfs/dbraw/zinc/04/81/34/387048134.db2.gz TUGYEYUAVMEBIM-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1c(OC(F)F)ccc(OC)c1CO ZINC000575658367 387048158 /nfs/dbraw/zinc/04/81/58/387048158.db2.gz SUMYZOLQOYGPJI-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN C[C@@H]1C[C@@]1(C)Nc1ncc(Br)cn1 ZINC000575580821 387049874 /nfs/dbraw/zinc/04/98/74/387049874.db2.gz XOLSWNJFXXPGPL-HZGVNTEJSA-N 0 0 242.120 2.450 10 0 BEAERN COc1cc(F)c(OC(F)F)c(C=O)c1 ZINC000575660680 387050863 /nfs/dbraw/zinc/05/08/63/387050863.db2.gz XGEXCSKQESYESR-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN CC(C)(C)OC(=O)Cc1cnc2ccccn12 ZINC000575432114 387055108 /nfs/dbraw/zinc/05/51/08/387055108.db2.gz GMHHWFJBCKWRRB-UHFFFAOYSA-N 0 0 232.283 2.219 10 0 BEAERN CCCCCN1c2ccccc2[C@@]2(CO2)C1=O ZINC000575434453 387058762 /nfs/dbraw/zinc/05/87/62/387058762.db2.gz ZAGIIWOAZWBOPS-AWEZNQCLSA-N 0 0 231.295 2.449 10 0 BEAERN COc1c(C=O)cc(OC(F)F)cc1C(C)=O ZINC000575661174 387063006 /nfs/dbraw/zinc/06/30/06/387063006.db2.gz GVOZMYQEDUUQAX-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Clc1ncc(Br)c(Cl)n1 ZINC000575232017 387015363 /nfs/dbraw/zinc/01/53/63/387015363.db2.gz ZQTWTNKOMWDGPG-UHFFFAOYSA-N 0 0 226.868 2.272 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CC1CC1 ZINC000117619497 387024065 /nfs/dbraw/zinc/02/40/65/387024065.db2.gz PXNDPVUVBVAFQF-QMTHXVAHSA-N 0 0 245.322 2.420 10 0 BEAERN C[C@H]1C[C@@]1(C)Nc1ncncc1Br ZINC000575577117 387027455 /nfs/dbraw/zinc/02/74/55/387027455.db2.gz BTTOOMFQJILLCM-IMTBSYHQSA-N 0 0 242.120 2.450 10 0 BEAERN Cc1ccc(-c2nnc(C=O)s2)s1 ZINC000575456679 387028980 /nfs/dbraw/zinc/02/89/80/387028980.db2.gz DFNIGVHJPZNGLY-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN CC(C)(O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186190947 387074004 /nfs/dbraw/zinc/07/40/04/387074004.db2.gz YUOCRVYEKVNNNR-UHFFFAOYSA-N 0 0 231.339 2.305 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1nc2ccccc2s1 ZINC000119137875 387102656 /nfs/dbraw/zinc/10/26/56/387102656.db2.gz XGPVJDIHKHBXEM-APPZFPTMSA-N 0 0 232.308 2.435 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)C(C1CC1)C1CC1 ZINC000119190760 387104949 /nfs/dbraw/zinc/10/49/49/387104949.db2.gz UYSKGEWLPVFDJR-LBPRGKRZSA-N 0 0 237.343 2.060 10 0 BEAERN CC(C)c1cc(C(=O)N[C@H](C)CC2CC2)[nH]n1 ZINC000112690921 387109479 /nfs/dbraw/zinc/10/94/79/387109479.db2.gz RUJDLRHPLPNRQN-SECBINFHSA-N 0 0 235.331 2.452 10 0 BEAERN Brc1nsc(-c2ccns2)n1 ZINC000575470101 387110472 /nfs/dbraw/zinc/11/04/72/387110472.db2.gz AXWKGQSHTLOIGT-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN O=C(N1CCCc2cccc(O)c21)C(F)(F)F ZINC000575470085 387111064 /nfs/dbraw/zinc/11/10/64/387111064.db2.gz CIQIMJYKNYUPLY-UHFFFAOYSA-N 0 0 245.200 2.234 10 0 BEAERN CN1CCC[C@@H](c2nnc(Cl)s2)C1 ZINC000575471935 387111104 /nfs/dbraw/zinc/11/11/04/387111104.db2.gz BCXIIJFYMYBIIH-ZCFIWIBFSA-N 0 0 217.725 2.001 10 0 BEAERN CC(C)(C)C(=O)N1CCC(c2cnccn2)CC1 ZINC000072361326 387125607 /nfs/dbraw/zinc/12/56/07/387125607.db2.gz NGISQPRIXLOGQC-UHFFFAOYSA-N 0 0 247.342 2.229 10 0 BEAERN COCCc1ccc(O)c(Br)c1 ZINC000034439609 387149879 /nfs/dbraw/zinc/14/98/79/387149879.db2.gz LSCWVIRIVURZKD-UHFFFAOYSA-N 0 0 231.089 2.344 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)C(C)(C)C1CCC1 ZINC000322148986 387155812 /nfs/dbraw/zinc/15/58/12/387155812.db2.gz SGSNZACBEYHUFH-JQWIXIFHSA-N 0 0 239.359 2.185 10 0 BEAERN COc1ccc2c(c1)C(=O)CC1(CCOCC1)O2 ZINC000165285702 387157612 /nfs/dbraw/zinc/15/76/12/387157612.db2.gz VGUHGGXZWUIDRC-UHFFFAOYSA-N 0 0 248.278 2.210 10 0 BEAERN C[C@@H]1CCc2nc(-c3ccccc3)cc(=O)n2C1 ZINC000536950222 387162119 /nfs/dbraw/zinc/16/21/19/387162119.db2.gz DWCJNEHWYXMOJG-LLVKDONJSA-N 0 0 240.306 2.493 10 0 BEAERN C[C@@H]1CCc2nc(C(C)(C)C)cc(=O)n21 ZINC000536950309 387162234 /nfs/dbraw/zinc/16/22/34/387162234.db2.gz GDWMGHGTJRWDIT-MRVPVSSYSA-N 0 0 206.289 2.048 10 0 BEAERN C[S@](=O)(=Nc1cn[nH]c1)c1ccccc1 ZINC000536950248 387162289 /nfs/dbraw/zinc/16/22/89/387162289.db2.gz DYPMTPHTNHAENG-OAHLLOKOSA-N 0 0 221.285 2.198 10 0 BEAERN CCS(=O)(CC)=Nc1cccnc1F ZINC000536951750 387163128 /nfs/dbraw/zinc/16/31/28/387163128.db2.gz VNCLYLWRMLMIBV-UHFFFAOYSA-N 0 0 216.281 2.360 10 0 BEAERN OC[C@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000536952012 387163379 /nfs/dbraw/zinc/16/33/79/387163379.db2.gz ANZAULJOYFYKLZ-PSASIEDQSA-N 0 0 232.201 2.161 10 0 BEAERN C[C@H]1CCc2nc(C(C)(C)C)cc(=O)n2C1 ZINC000536951666 387163589 /nfs/dbraw/zinc/16/35/89/387163589.db2.gz UPIYLVDIVNGRNO-VIFPVBQESA-N 0 0 220.316 2.123 10 0 BEAERN COc1cccc([C@@H]2CNC(=O)C23CCC3)c1 ZINC000536951473 387163630 /nfs/dbraw/zinc/16/36/30/387163630.db2.gz RBHIJCYVSHVMTR-LBPRGKRZSA-N 0 0 231.295 2.079 10 0 BEAERN COc1ccc([C@H]2CNC(=O)C23CCCC3)cc1 ZINC000536952372 387165808 /nfs/dbraw/zinc/16/58/08/387165808.db2.gz CQLVVDXQDZNDQI-CYBMUJFWSA-N 0 0 245.322 2.469 10 0 BEAERN Cc1ccnc(N=S2(=O)CCCC2)c1F ZINC000536957634 387171563 /nfs/dbraw/zinc/17/15/63/387171563.db2.gz LRKHGLXQHLKXGC-UHFFFAOYSA-N 0 0 228.292 2.422 10 0 BEAERN CC(C)=C(F)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153117626 134525188 /nfs/dbraw/zinc/52/51/88/134525188.db2.gz QULXDLKTFBOUQN-QWRGUYRKSA-N 0 0 241.306 2.420 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)NC(C)(C)C1CCC1 ZINC000334072785 387180824 /nfs/dbraw/zinc/18/08/24/387180824.db2.gz IBBLOVQPGCWQTQ-MWLCHTKSSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C ZINC000300240178 387183560 /nfs/dbraw/zinc/18/35/60/387183560.db2.gz JPIQORYWHOWONK-VOAKCMCISA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H](O)C1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000300240615 387184198 /nfs/dbraw/zinc/18/41/98/387184198.db2.gz SJVHXBUUZSBXMH-MDZLAQPJSA-N 0 0 239.359 2.042 10 0 BEAERN CC(C)CNC(=O)N[C@H]1COc2ccccc21 ZINC000058482855 387190512 /nfs/dbraw/zinc/19/05/12/387190512.db2.gz APFUNYWBZYHLAP-NSHDSACASA-N 0 0 234.299 2.075 10 0 BEAERN COC(=O)Cc1ccc(C(F)(F)F)cc1N ZINC000091301590 387206837 /nfs/dbraw/zinc/20/68/37/387206837.db2.gz XJMXSWFKZFNAIV-UHFFFAOYSA-N 0 0 233.189 2.003 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000187777900 387213110 /nfs/dbraw/zinc/21/31/10/387213110.db2.gz MZASSYJSZTXZLS-RTXFEEFZSA-N 0 0 247.342 2.098 10 0 BEAERN CSCCCCCNC(=O)N[C@H]1C[C@H]1C ZINC000187783945 387213649 /nfs/dbraw/zinc/21/36/49/387213649.db2.gz FRFBXZQTOKXLTB-ZJUUUORDSA-N 0 0 230.377 2.227 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@@H]2C[C@@H]2C)o1 ZINC000120235348 387215024 /nfs/dbraw/zinc/21/50/24/387215024.db2.gz HAQXQBPRWXTIAC-OIBJUYFYSA-N 0 0 207.273 2.289 10 0 BEAERN Cc1cnc(N[C@H]2CCC3(C2)OCCO3)s1 ZINC000306495482 387219685 /nfs/dbraw/zinc/21/96/85/387219685.db2.gz VPYLPFWTFQYNHI-VIFPVBQESA-N 0 0 240.328 2.159 10 0 BEAERN CSCCCC(=O)N(CC(F)F)C1CC1 ZINC000120323545 387230664 /nfs/dbraw/zinc/23/06/64/387230664.db2.gz LNDJGQLGFCULBA-UHFFFAOYSA-N 0 0 237.315 2.386 10 0 BEAERN CCC(O)(CC)CNC(=O)[C@H]1CCC[C@H]1C ZINC000230173623 387240206 /nfs/dbraw/zinc/24/02/06/387240206.db2.gz QYIORGNWDMNWJK-MNOVXSKESA-N 0 0 227.348 2.090 10 0 BEAERN COCC1=CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000188165706 387253769 /nfs/dbraw/zinc/25/37/69/387253769.db2.gz YIYJPLXRAPBLFE-LLVKDONJSA-N 0 0 240.347 2.019 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000424684171 387248134 /nfs/dbraw/zinc/24/81/34/387248134.db2.gz FYUAIONIPDXZSY-VOAKCMCISA-N 0 0 239.359 2.090 10 0 BEAERN COc1cc(C(C)=O)c(OC(F)F)cc1O ZINC000575662746 387200878 /nfs/dbraw/zinc/20/08/78/387200878.db2.gz GNKNYXIBDRANRF-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1c(C)c(C=O)ccc1OC(F)F ZINC000575664614 387312223 /nfs/dbraw/zinc/31/22/23/387312223.db2.gz JRMLGUVZNQVQOG-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COc1cc(C=O)c(OC(F)F)cc1C ZINC000575665868 387315762 /nfs/dbraw/zinc/31/57/62/387315762.db2.gz VBNGCPICFTURFW-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COc1cc(OC(F)F)cc(O)c1C ZINC000575665598 387315839 /nfs/dbraw/zinc/31/58/39/387315839.db2.gz QXPZBPHORBSOPG-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN Nc1cccc(Br)c1N1CCCO1 ZINC000575489259 387260736 /nfs/dbraw/zinc/26/07/36/387260736.db2.gz AHWCKZHITABKBZ-UHFFFAOYSA-N 0 0 243.104 2.173 10 0 BEAERN C[C@@H](O)CCNC(=O)NCCCCC(C)(C)C ZINC000114829530 387262178 /nfs/dbraw/zinc/26/21/78/387262178.db2.gz NJQSONRKTAGWGW-LLVKDONJSA-N 0 0 244.379 2.273 10 0 BEAERN C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000120716097 387266650 /nfs/dbraw/zinc/26/66/50/387266650.db2.gz DWGYUVVNEVEWRJ-VOAKCMCISA-N 0 0 239.359 2.496 10 0 BEAERN COc1cc(C(C)=O)cc(OC(F)F)c1O ZINC000575663239 387270528 /nfs/dbraw/zinc/27/05/28/387270528.db2.gz VEGAQNKAWBDNHM-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCN(C)c1c(N)cccc1Br ZINC000575490879 387274938 /nfs/dbraw/zinc/27/49/38/387274938.db2.gz WLWNKWRQAWWRIF-UHFFFAOYSA-N 0 0 229.121 2.487 10 0 BEAERN Cn1cc(N[C@H]2CCCC23CCOCC3)cn1 ZINC000302283200 387287013 /nfs/dbraw/zinc/28/70/13/387287013.db2.gz BUSSAFSGCKYUHS-LBPRGKRZSA-N 0 0 235.331 2.181 10 0 BEAERN C[C@H]1SCC[C@H]1Nc1cnsc1 ZINC000575494115 387287049 /nfs/dbraw/zinc/28/70/49/387287049.db2.gz RGDRXTVVIIEJTK-HTRCEHHLSA-N 0 0 200.332 2.449 10 0 BEAERN COC(=O)c1cc(O)c(F)c(Br)c1 ZINC000260045991 387306316 /nfs/dbraw/zinc/30/63/16/387306316.db2.gz KLPBBOUJJSYOGN-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN O[C@@H](c1cccnc1Br)C1CC1 ZINC000575599735 387355054 /nfs/dbraw/zinc/35/50/54/387355054.db2.gz NKULWMDRQMMHGZ-MRVPVSSYSA-N 0 0 228.089 2.288 10 0 BEAERN COc1cc(C(N)=O)c(C)c(C(F)(F)F)c1 ZINC000575675783 387358607 /nfs/dbraw/zinc/35/86/07/387358607.db2.gz YNOUCUREODPDSD-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN Clc1ncnc2n[nH]c(-c3ccco3)c21 ZINC000575601670 387362320 /nfs/dbraw/zinc/36/23/20/387362320.db2.gz MEISBDNSGDELBB-UHFFFAOYSA-N 0 0 220.619 2.266 10 0 BEAERN Cn1c2ccccc2nc1[C@H]1CC[C@H](O)C1 ZINC000575602902 387365978 /nfs/dbraw/zinc/36/59/78/387365978.db2.gz ZTOPDGXPCJVYMK-UWVGGRQHSA-N 0 0 216.284 2.202 10 0 BEAERN Cc1ccc([C@H]2C[C@@H]2Cn2ccc(N)n2)cc1 ZINC000575602918 387366919 /nfs/dbraw/zinc/36/69/19/387366919.db2.gz WIQMLYUWCSOULP-CHWSQXEVSA-N 0 0 227.311 2.408 10 0 BEAERN Cc1ccc([C@H]2C[C@H]2Cn2ccc(N)n2)cc1 ZINC000575602920 387366950 /nfs/dbraw/zinc/36/69/50/387366950.db2.gz WIQMLYUWCSOULP-QWHCGFSZSA-N 0 0 227.311 2.408 10 0 BEAERN O[C@H]1CCCC[C@@H]1n1ccc(C2CC2)n1 ZINC000575603010 387367192 /nfs/dbraw/zinc/36/71/92/387367192.db2.gz YYHXBSABNDRWHG-RYUDHWBXSA-N 0 0 206.289 2.237 10 0 BEAERN N=[S@@]1(=O)CCC[C@H](C(F)(F)F)CC1 ZINC000575601761 387368293 /nfs/dbraw/zinc/36/82/93/387368293.db2.gz BYKKZKOKQYQLLH-DAZKTRTLSA-N 0 0 215.240 2.396 10 0 BEAERN CC(C)c1ccc2c(N)nc(Cl)nc2n1 ZINC000575602042 387369061 /nfs/dbraw/zinc/36/90/61/387369061.db2.gz UQXFEOXEXBEBHU-UHFFFAOYSA-N 0 0 222.679 2.384 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1CCCO ZINC000360951051 387372845 /nfs/dbraw/zinc/37/28/45/387372845.db2.gz JREGMCLBIACRLU-QWHCGFSZSA-N 0 0 241.375 2.432 10 0 BEAERN COc1c(O)ccc(OC(F)F)c1C ZINC000575666718 387319432 /nfs/dbraw/zinc/31/94/32/387319432.db2.gz ZELIHJZTNMDJKH-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCOc1cc(O)cc(C(F)F)c1CO ZINC000575668325 387324605 /nfs/dbraw/zinc/32/46/05/387324605.db2.gz UQUMGSOLTHVOEO-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CCC(CC)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000193150215 387326792 /nfs/dbraw/zinc/32/67/92/387326792.db2.gz CMZDYKWVJIRBRM-NEPJUHHUSA-N 0 0 227.348 2.090 10 0 BEAERN CCOC(=O)c1c(OC)ccc(C)c1OC ZINC000575672645 387339955 /nfs/dbraw/zinc/33/99/55/387339955.db2.gz DPYKRONIHBEJGC-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN COc1cc(C(F)(F)F)cc(C)c1C(N)=O ZINC000575673691 387343349 /nfs/dbraw/zinc/34/33/49/387343349.db2.gz MKXXRJRDHAFOFT-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN Cc1nn(CC=C(Cl)Cl)cc1N ZINC000575512203 387383425 /nfs/dbraw/zinc/38/34/25/387383425.db2.gz HZAWMLVGJIYOJT-UHFFFAOYSA-N 0 0 206.076 2.093 10 0 BEAERN C[C@@H](Nc1cccc(C(N)=O)c1)[C@@H]1C[C@H]1C ZINC000322002415 387346890 /nfs/dbraw/zinc/34/68/90/387346890.db2.gz HBYGUCVZMZMCDL-KBVBSXBZSA-N 0 0 218.300 2.242 10 0 BEAERN O=C1CO[C@H](c2cccc(Br)c2)C1 ZINC000575501945 387353483 /nfs/dbraw/zinc/35/34/83/387353483.db2.gz KKSGZTQXIBHCAF-JTQLQIEISA-N 0 0 241.084 2.480 10 0 BEAERN COCCc1ccnc(N[C@@H]2CCSC2)c1 ZINC000287567914 387461384 /nfs/dbraw/zinc/46/13/84/387461384.db2.gz QMAILNWATLZYII-LLVKDONJSA-N 0 0 238.356 2.188 10 0 BEAERN CC(=O)c1cc(OC(F)F)cc(N)c1F ZINC000575715951 387431075 /nfs/dbraw/zinc/43/10/75/387431075.db2.gz AMROPYJALWULPW-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CCOc1cc(C(C)=O)c(N)cc1CC ZINC000575716394 387431832 /nfs/dbraw/zinc/43/18/32/387431832.db2.gz AHKYEZDZAPCJFP-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1cc(N)cc(C(C)=O)c1OC(F)F ZINC000575716182 387432121 /nfs/dbraw/zinc/43/21/21/387432121.db2.gz AOLLIROKYRRKLQ-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CC(=O)c1cc(N)cc(OC(F)F)c1C ZINC000575717461 387436014 /nfs/dbraw/zinc/43/60/14/387436014.db2.gz QMZQGXRMVXKGEH-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN COc1c(O)cc(N)cc1C(F)(F)F ZINC000575727396 387461642 /nfs/dbraw/zinc/46/16/42/387461642.db2.gz DFMZNICDWIKZNN-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(C)c1CC ZINC000575724424 387437837 /nfs/dbraw/zinc/43/78/37/387437837.db2.gz GWJSWDIEUBSRMY-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCc1ccc(N)c(OC(F)F)c1N ZINC000575720374 387441261 /nfs/dbraw/zinc/44/12/61/387441261.db2.gz LPOADCUIRYRFNX-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN Nc1ccc(Cl)c(O)c1OC(F)F ZINC000575720423 387441739 /nfs/dbraw/zinc/44/17/39/387441739.db2.gz NEDJJYWVIOFVKC-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Cn1ncc(NC/C=C/Cl)c1Cl ZINC000575521851 387442563 /nfs/dbraw/zinc/44/25/63/387442563.db2.gz OIRBCWWTVABUCF-NSCUHMNNSA-N 0 0 206.076 2.238 10 0 BEAERN Nc1noc([C@H]2C[C@H]2C2CC2)c1Br ZINC000575521965 387442996 /nfs/dbraw/zinc/44/29/96/387442996.db2.gz UUVCISASDKYZSD-WDSKDSINSA-N 0 0 243.104 2.363 10 0 BEAERN Nc1c(O)cc(Cl)cc1OC(F)F ZINC000575721214 387443492 /nfs/dbraw/zinc/44/34/92/387443492.db2.gz ZMAVXHFJWYLJSP-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(O)cc(Cl)c1OC(F)F ZINC000575721127 387443520 /nfs/dbraw/zinc/44/35/20/387443520.db2.gz XUKVPAQOPONIOF-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCc1cc(N)cc(OC(F)F)c1N ZINC000575720963 387443647 /nfs/dbraw/zinc/44/36/47/387443647.db2.gz WMCFKNHGCSISPY-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN CCOc1cc(N)c(OC)cc1Br ZINC000575721994 387444055 /nfs/dbraw/zinc/44/40/55/387444055.db2.gz CGMMPFLDCWQMGU-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COc1c(N)c(Br)ccc1F ZINC000575722346 387444769 /nfs/dbraw/zinc/44/47/69/387444769.db2.gz IDPFVXZYMJLPPN-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CCOc1c(N)ccc(N)c1Br ZINC000575722108 387444945 /nfs/dbraw/zinc/44/49/45/387444945.db2.gz FYLSEYDDUYDCEI-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN CCC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(=O)[O-] ZINC000397680162 387461934 /nfs/dbraw/zinc/46/19/34/387461934.db2.gz IIWYWWLQGPKFOT-UTLUCORTSA-N 0 0 213.321 2.264 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)c(N)cc1N ZINC000575722621 387446028 /nfs/dbraw/zinc/44/60/28/387446028.db2.gz HKWZMZBJVDFZJD-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN CCOC(=O)Cc1c(N)c(C)ccc1OCC ZINC000575723519 387446085 /nfs/dbraw/zinc/44/60/85/387446085.db2.gz BPJKQICYHRXPEI-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOc1c(N)cc(Br)cc1OC ZINC000575723303 387446384 /nfs/dbraw/zinc/44/63/84/387446384.db2.gz UTEOPSWKHOGMLD-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCc1cc(Br)c(N)cc1N ZINC000575723302 387446674 /nfs/dbraw/zinc/44/66/74/387446674.db2.gz URRVFJPWIGELGU-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CCOc1c(N)cc(O)cc1Br ZINC000575722990 387446742 /nfs/dbraw/zinc/44/67/42/387446742.db2.gz QIKBQALEWFEDGJ-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)Cc1c(N)cc(C)cc1OCC ZINC000575723699 387447813 /nfs/dbraw/zinc/44/78/13/387447813.db2.gz CYAAJFONLBPBDY-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)Cc1cc(C)c(OCC)cc1N ZINC000575723904 387447818 /nfs/dbraw/zinc/44/78/18/387447818.db2.gz IJBFJXRZVBSADI-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)c1cc(N)c(CC)c(OCC)c1 ZINC000575724056 387447979 /nfs/dbraw/zinc/44/79/79/387447979.db2.gz QUHWSCIWJCGIHJ-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1cc(N)c(C)cc1OCC ZINC000575724009 387447992 /nfs/dbraw/zinc/44/79/92/387447992.db2.gz OLJNXGDJHPXBRK-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1cc(OCC)c(N)cc1CC ZINC000575724193 387448101 /nfs/dbraw/zinc/44/81/01/387448101.db2.gz YRXBEIIOZOUNLW-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1cc(O)cc(C(F)(F)F)c1N ZINC000575724328 387449312 /nfs/dbraw/zinc/44/93/12/387449312.db2.gz BBPDEOOJFBINDP-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Cc1cc(OC(F)(F)F)cc(N)c1O ZINC000575727327 387462374 /nfs/dbraw/zinc/46/23/74/387462374.db2.gz CTUYUZGZKIBPEW-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COC(=O)c1c(C)ccc(N)c1Br ZINC000575725585 387458564 /nfs/dbraw/zinc/45/85/64/387458564.db2.gz IHYDNCAGWREWAC-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000121638210 387390121 /nfs/dbraw/zinc/39/01/21/387390121.db2.gz BWZXYFCJBNHYER-MDZLAQPJSA-N 0 0 233.311 2.431 10 0 BEAERN CCOc1cc(OC)cc(C=O)c1CC ZINC000575697555 387390695 /nfs/dbraw/zinc/39/06/95/387390695.db2.gz YPHOMEFAQSWGQH-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCOc1cc(C=O)cc(CC)c1OC ZINC000575694573 387394027 /nfs/dbraw/zinc/39/40/27/387394027.db2.gz FSDJSCYUMXGIRR-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CN(C)c1c(N)ccc(F)c1Br ZINC000575510370 387394574 /nfs/dbraw/zinc/39/45/74/387394574.db2.gz BMTRUARNGDHVIM-UHFFFAOYSA-N 0 0 233.084 2.236 10 0 BEAERN CCc1ccc(OC)c(C(C)=O)c1OC ZINC000575696073 387395531 /nfs/dbraw/zinc/39/55/31/387395531.db2.gz JYRACYLKVAPBAH-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCOc1cc(CC)c(OC)cc1C=O ZINC000575695369 387396223 /nfs/dbraw/zinc/39/62/23/387396223.db2.gz HUWOSFPKZHIHEC-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCc1cc(C(N)=O)c(C(F)(F)F)cc1OC ZINC000575702885 387398582 /nfs/dbraw/zinc/39/85/82/387398582.db2.gz JPXFBLRXJZYNBE-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCOC(=O)c1c(O)cc(Cl)cc1OC ZINC000575701007 387403789 /nfs/dbraw/zinc/40/37/89/387403789.db2.gz POBUMXRKIQOGON-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CCOC(=O)c1c(F)cc(C)cc1OC ZINC000575702382 387407059 /nfs/dbraw/zinc/40/70/59/387407059.db2.gz PECMSRYNLZKAQZ-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN O=Cc1ccc(C(F)(F)F)c(CO)c1F ZINC000575706413 387410409 /nfs/dbraw/zinc/41/04/09/387410409.db2.gz VHXOEHKRWYFXIL-UHFFFAOYSA-N 0 0 222.137 2.149 10 0 BEAERN COc1c(F)c(C=O)ccc1SC ZINC000575708605 387413255 /nfs/dbraw/zinc/41/32/55/387413255.db2.gz SMOJQPPNWBCIPK-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN Cc1cc(C(F)(F)F)c(C(N)=O)cc1F ZINC000575709454 387413605 /nfs/dbraw/zinc/41/36/05/387413605.db2.gz KJFHILNCONVWBN-UHFFFAOYSA-N 0 0 221.153 2.252 10 0 BEAERN Cc1ccc(F)c(OC(F)(F)F)c1C(N)=O ZINC000575709495 387413829 /nfs/dbraw/zinc/41/38/29/387413829.db2.gz KRVVTAVAFIZTIK-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COc1cc(CO)c(SC)cc1F ZINC000575709274 387413903 /nfs/dbraw/zinc/41/39/03/387413903.db2.gz UXMDJVVREKDHEA-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COC(=O)Cc1c(Cl)cc(F)cc1OC ZINC000575712185 387416756 /nfs/dbraw/zinc/41/67/56/387416756.db2.gz FQMAIHQHSKSODC-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN COC(=O)c1c(C)c(OC)ccc1Cl ZINC000575713700 387417002 /nfs/dbraw/zinc/41/70/02/387417002.db2.gz ZSJGHDBGQSIKIE-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN COC(=O)c1cc(F)c(C(F)(F)F)cc1O ZINC000575713604 387417181 /nfs/dbraw/zinc/41/71/81/387417181.db2.gz FZIXXGGKWXLIPJ-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COC(=O)c1c(C)c(O)ccc1Cl ZINC000575712840 387417344 /nfs/dbraw/zinc/41/73/44/387417344.db2.gz OSSYCSUZGGDCNM-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN COC(=O)c1cc(C)c(OC)cc1Cl ZINC000575712639 387417419 /nfs/dbraw/zinc/41/74/19/387417419.db2.gz IEHZLNGLJSSTGV-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H](C)C1CC1 ZINC000121805408 387418917 /nfs/dbraw/zinc/41/89/17/387418917.db2.gz FPHHOUADNGTXGL-QMMMGPOBSA-N 0 0 235.331 2.370 10 0 BEAERN CC[C@@H](O)c1ccc(N)c(Br)c1 ZINC000575516638 387419590 /nfs/dbraw/zinc/41/95/90/387419590.db2.gz ALHWHRNCIJHJEX-SECBINFHSA-N 0 0 230.105 2.475 10 0 BEAERN Nc1ncc(-c2cccc(F)c2)cc1C=O ZINC000165587397 387516325 /nfs/dbraw/zinc/51/63/25/387516325.db2.gz YRWKGDQUKAXIEP-UHFFFAOYSA-N 0 0 216.215 2.282 10 0 BEAERN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(C)C ZINC000165274026 387516720 /nfs/dbraw/zinc/51/67/20/387516720.db2.gz DKLVGYZHJFBJRP-LBPRGKRZSA-N 0 0 244.294 2.250 10 0 BEAERN COC(=O)c1c(C)onc1-c1ccc(OC)cc1 ZINC000057536049 387535878 /nfs/dbraw/zinc/53/58/78/387535878.db2.gz BFNYFHRPFZKZGH-UHFFFAOYSA-N 0 0 247.250 2.445 10 0 BEAERN CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(=O)[O-] ZINC000397680161 387462711 /nfs/dbraw/zinc/46/27/11/387462711.db2.gz IIWYWWLQGPKFOT-GUBZILKMSA-N 0 0 213.321 2.264 10 0 BEAERN Cc1c(N)c(O)ccc1OC(F)(F)F ZINC000575727488 387463825 /nfs/dbraw/zinc/46/38/25/387463825.db2.gz GQWGELDZPBMLQO-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1cc(OC(F)(F)F)c(N)cc1O ZINC000575727929 387465490 /nfs/dbraw/zinc/46/54/90/387465490.db2.gz LJUWRSAUZJDKOL-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1c(N)ccc(C(F)(F)F)c1O ZINC000575727928 387465649 /nfs/dbraw/zinc/46/56/49/387465649.db2.gz LGLDVOYBBOAMTG-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COC(=O)Cc1c(N)cc(Cl)cc1Cl ZINC000575729917 387468149 /nfs/dbraw/zinc/46/81/49/387468149.db2.gz OMNYWTAMSGPOJG-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN COc1cc(OC(F)(F)F)cc(N)c1C ZINC000575730057 387468292 /nfs/dbraw/zinc/46/82/92/387468292.db2.gz RQVXJUJOXNJVOY-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(CO)cc(OC(F)(F)F)c1C ZINC000575729207 387469053 /nfs/dbraw/zinc/46/90/53/387469053.db2.gz JUPMWUVEEFXNTE-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1ccc(OC(F)(F)F)c(C)c1CO ZINC000575729667 387469905 /nfs/dbraw/zinc/46/99/05/387469905.db2.gz OPNMGCGPMQFPCU-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1cc(C)c(OC(F)(F)F)cc1N ZINC000575729072 387470062 /nfs/dbraw/zinc/47/00/62/387470062.db2.gz ITFKPUJKFHRJOL-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(N)cc(C)c1OC(F)(F)F ZINC000575730539 387473213 /nfs/dbraw/zinc/47/32/13/387473213.db2.gz XBPPOWCQSZFOFH-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN O[C@@H]1CC[C@H]1Nc1ccc(Br)cc1 ZINC000575545522 387628250 /nfs/dbraw/zinc/62/82/50/387628250.db2.gz LBCYZADYZHBGBU-NXEZZACHSA-N 0 0 242.116 2.384 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1COc2ccccc2C1 ZINC000123578514 387587301 /nfs/dbraw/zinc/58/73/01/387587301.db2.gz GRBGTZAXLHILRZ-LLVKDONJSA-N 0 0 249.285 2.370 10 0 BEAERN CCCn1nccc1NC(=O)CC(F)(F)F ZINC000124273281 387610804 /nfs/dbraw/zinc/61/08/04/387610804.db2.gz PCQFVUVNKIFSIQ-UHFFFAOYSA-N 0 0 235.209 2.184 10 0 BEAERN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccccn2)n1 ZINC000124483504 387618598 /nfs/dbraw/zinc/61/85/98/387618598.db2.gz UKJGTXJOSSLNIY-NSHDSACASA-N 0 0 244.298 2.095 10 0 BEAERN CCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124513059 387621398 /nfs/dbraw/zinc/62/13/98/387621398.db2.gz DAXDNHJIPWOJRT-VXGBXAGGSA-N 0 0 226.364 2.118 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000122563487 387548234 /nfs/dbraw/zinc/54/82/34/387548234.db2.gz RIODTORLQDQBLF-AAEUAGOBSA-N 0 0 233.311 2.179 10 0 BEAERN CC(C)(Br)C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000575532443 387551107 /nfs/dbraw/zinc/55/11/07/387551107.db2.gz OBRWUJUQNUGLAP-XVKPBYJWSA-N 0 0 246.148 2.219 10 0 BEAERN Nc1noc([C@@]23C[C@@H]2CCC3)c1Br ZINC000575531040 387552000 /nfs/dbraw/zinc/55/20/00/387552000.db2.gz GNJCPVXAPFXSJK-CDUCUWFYSA-N 0 0 243.104 2.291 10 0 BEAERN NNc1ccc(F)c(Br)c1F ZINC000575535968 387576154 /nfs/dbraw/zinc/57/61/54/387576154.db2.gz AMNVFPMEXBCGGX-UHFFFAOYSA-N 0 0 223.020 2.013 10 0 BEAERN C[C@@H]1CN[C@@H](c2ccncc2Cl)S1 ZINC000575554595 387694488 /nfs/dbraw/zinc/69/44/88/387694488.db2.gz GCFTXJRDSLTEJX-HZGVNTEJSA-N 0 0 214.721 2.459 10 0 BEAERN Brc1cnccc1[C@H]1NCCS1 ZINC000575546774 387634919 /nfs/dbraw/zinc/63/49/19/387634919.db2.gz URPKZWCXZMFWJD-QMMMGPOBSA-N 0 0 245.145 2.179 10 0 BEAERN CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000054960022 387636981 /nfs/dbraw/zinc/63/69/81/387636981.db2.gz VAKJNFIKRWCVNJ-QWRGUYRKSA-N 0 0 221.300 2.207 10 0 BEAERN CS[C@H]1CC[C@@H]1Nc1nccs1 ZINC000575551659 387649445 /nfs/dbraw/zinc/64/94/45/387649445.db2.gz XFYGCCQAISQBHW-BQBZGAKWSA-N 0 0 200.332 2.449 10 0 BEAERN CCCCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123167048 387659336 /nfs/dbraw/zinc/65/93/36/387659336.db2.gz XXIQKLWTCYNQHL-ZDUSSCGKSA-N 0 0 248.326 2.252 10 0 BEAERN COCc1ccc(C(=O)Nc2cccc(C)n2)o1 ZINC000123268509 387671957 /nfs/dbraw/zinc/67/19/57/387671957.db2.gz IIUCMGPEOGNJDT-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN Cn1cccc1C(=O)NCCc1ccsc1 ZINC000123268370 387672917 /nfs/dbraw/zinc/67/29/17/387672917.db2.gz WJYLEBDVDZRAFO-UHFFFAOYSA-N 0 0 234.324 2.059 10 0 BEAERN CCSc1ncc2cccc(C=O)n21 ZINC000039423121 387686156 /nfs/dbraw/zinc/68/61/56/387686156.db2.gz GELBCLWLUHGBSY-UHFFFAOYSA-N 0 0 206.270 2.259 10 0 BEAERN CCOC(=O)C(=O)CCc1ccc(Cl)cc1 ZINC000039419907 387690386 /nfs/dbraw/zinc/69/03/86/387690386.db2.gz VUMFPMBWHQNWKS-UHFFFAOYSA-N 0 0 240.686 2.405 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1O ZINC000126794998 387694130 /nfs/dbraw/zinc/69/41/30/387694130.db2.gz HGPSYLQAIUHREJ-SKDRFNHKSA-N 0 0 235.283 2.207 10 0 BEAERN Cc1nc(CN(C)C[C@@H]2CCCO2)cs1 ZINC000128553450 387749784 /nfs/dbraw/zinc/74/97/84/387749784.db2.gz UDLKADCQYRNDIQ-NSHDSACASA-N 0 0 226.345 2.062 10 0 BEAERN Nc1n[nH]c(-c2ccoc2Br)c1F ZINC000575574166 387752090 /nfs/dbraw/zinc/75/20/90/387752090.db2.gz KURRHGCDDNORLP-UHFFFAOYSA-N 0 0 246.039 2.154 10 0 BEAERN Cc1ccc(CN(C)C(=O)NC2CCC2)o1 ZINC000126991159 387699069 /nfs/dbraw/zinc/69/90/69/387699069.db2.gz GPQQLMOPUIVAMU-UHFFFAOYSA-N 0 0 222.288 2.282 10 0 BEAERN CCC1(C(=O)N2CC[C@@H](CCO)C2)CCCC1 ZINC000127052341 387703803 /nfs/dbraw/zinc/70/38/03/387703803.db2.gz IGGPYXVARSROBH-LBPRGKRZSA-N 0 0 239.359 2.188 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000356763515 387718009 /nfs/dbraw/zinc/71/80/09/387718009.db2.gz QCMLOCGFSOJJMO-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127642348 387721291 /nfs/dbraw/zinc/72/12/91/387721291.db2.gz ICLISBHHNGZIEO-OCCSQVGLSA-N 0 0 239.359 2.186 10 0 BEAERN COC(=O)c1sc(-c2ccco2)nc1C ZINC000049819161 387787441 /nfs/dbraw/zinc/78/74/41/387787441.db2.gz GZQUMOIFHVBIAD-UHFFFAOYSA-N 0 0 223.253 2.498 10 0 BEAERN O=C(C(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000049836816 387787827 /nfs/dbraw/zinc/78/78/27/387787827.db2.gz YNDMGNSSVFNASG-UHFFFAOYSA-N 0 0 249.285 2.411 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000051989490 177894099 /nfs/dbraw/zinc/89/40/99/177894099.db2.gz OTSHHDVIANVFQV-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN Nc1ncc(Cl)nc1-c1ccccc1 ZINC000575624489 387810932 /nfs/dbraw/zinc/81/09/32/387810932.db2.gz IZQRDHORPZMRER-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CC(C)C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000128876546 387757914 /nfs/dbraw/zinc/75/79/14/387757914.db2.gz GWADHZLNSMBOHS-PWSUYJOCSA-N 0 0 233.311 2.323 10 0 BEAERN Cc1oncc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000129075799 387761147 /nfs/dbraw/zinc/76/11/47/387761147.db2.gz IDBJADYBTGULMJ-ZDUSSCGKSA-N 0 0 246.314 2.433 10 0 BEAERN Cc1cc(C(F)(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575637728 387832403 /nfs/dbraw/zinc/83/24/03/387832403.db2.gz FTVKAUVFKNWQQE-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(C=O)c(OCC)cc1C#N ZINC000575637889 387832529 /nfs/dbraw/zinc/83/25/29/387832529.db2.gz JUTVZKRAWYQNDJ-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN Cc1c([N+](=O)[O-])ccc(CO)c1C(F)(F)F ZINC000575638784 387833920 /nfs/dbraw/zinc/83/39/20/387833920.db2.gz UUIPEKYAHCZACI-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1cc(CO)c(OC(F)F)cc1C#N ZINC000575639002 387834544 /nfs/dbraw/zinc/83/45/44/387834544.db2.gz MMJOXVKLFHHUPT-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN CCOc1cc(C=O)c(OC(F)F)cc1C#N ZINC000575639170 387836357 /nfs/dbraw/zinc/83/63/57/387836357.db2.gz PPGNLTGSSABPOQ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1c(N)c([N+](=O)[O-])ccc1OC(F)(F)F ZINC000575638434 387837207 /nfs/dbraw/zinc/83/72/07/387837207.db2.gz TUEHKWAVDQYSEU-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COC(=O)c1c(C)c(N)ccc1C(F)(F)F ZINC000575639569 387837225 /nfs/dbraw/zinc/83/72/25/387837225.db2.gz IJNILSCDTSKWJV-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN N#Cc1c(F)cc(C=O)cc1OC(F)F ZINC000575640275 387838214 /nfs/dbraw/zinc/83/82/14/387838214.db2.gz NCIIERTYNQNPST-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1ccc(C#N)c(F)c1OC(F)F ZINC000575640262 387838717 /nfs/dbraw/zinc/83/87/17/387838717.db2.gz MXQKTCFCKSCYIM-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1cc(OC(F)F)c(C#N)c(C(C)=O)c1 ZINC000575640636 387839667 /nfs/dbraw/zinc/83/96/67/387839667.db2.gz PLGCAPBXDRDYHS-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN N#CCc1cc(C#N)cc(C=O)c1OC(F)F ZINC000575639829 387840653 /nfs/dbraw/zinc/84/06/53/387840653.db2.gz JUUYIEXBXQODCN-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN COc1c(C#N)ccc(F)c1OC(F)F ZINC000575640945 387840684 /nfs/dbraw/zinc/84/06/84/387840684.db2.gz QIYPSCNJTOGWDP-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1cc(C(F)F)cc(C#N)c1CO ZINC000575641107 387840810 /nfs/dbraw/zinc/84/08/10/387840810.db2.gz KOLLOPPOCYZEBI-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1c(C#N)cc(C)cc1OC(F)F ZINC000575641681 387842537 /nfs/dbraw/zinc/84/25/37/387842537.db2.gz SIKCUEAKUNNGNZ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COc1cc(C)cc(C#N)c1OC(F)F ZINC000575642177 387846181 /nfs/dbraw/zinc/84/61/81/387846181.db2.gz ZJXXVJXYRWFVKG-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COC(=O)c1c(C)cc(C(F)(F)F)cc1N ZINC000575641986 387846282 /nfs/dbraw/zinc/84/62/82/387846282.db2.gz ZZFMICFRZCDZDS-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCOc1c(CO)ccc(C(F)F)c1C#N ZINC000575642336 387846979 /nfs/dbraw/zinc/84/69/79/387846979.db2.gz ZWWHWXMRVWPLAT-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)c1ccc(C)c(N)c1C(F)(F)F ZINC000575641384 387848013 /nfs/dbraw/zinc/84/80/13/387848013.db2.gz SIYHIJUQTFPYLA-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CC(C)CC(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000062622066 387853207 /nfs/dbraw/zinc/85/32/07/387853207.db2.gz GATBUJUYMMRZDX-CQSZACIVSA-N 0 0 246.354 2.206 10 0 BEAERN CCN(CC)C(=O)C[C@H](C)c1cccnc1 ZINC000062633950 387854311 /nfs/dbraw/zinc/85/43/11/387854311.db2.gz NPKLOKSORDWEAP-NSHDSACASA-N 0 0 220.316 2.444 10 0 BEAERN Cc1cccc(N[C@@H](CO)c2ccco2)n1 ZINC000157787414 387874273 /nfs/dbraw/zinc/87/42/73/387874273.db2.gz LXGWCPBFDCEZMC-JTQLQIEISA-N 0 0 218.256 2.129 10 0 BEAERN N#Cc1c(CO)cc(F)cc1C(F)F ZINC000575643405 387865074 /nfs/dbraw/zinc/86/50/74/387865074.db2.gz PZZRCHLHWWISFA-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN N#Cc1cc(F)cc(CO)c1C(F)F ZINC000575643086 387866039 /nfs/dbraw/zinc/86/60/39/387866039.db2.gz MQIFJYDWDLMKEW-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCOc1c(CC)ccc(C#N)c1C=O ZINC000575643187 387867412 /nfs/dbraw/zinc/86/74/12/387867412.db2.gz ODKJCLDTUVNTLS-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C#N)cc(C(C)=O)c1OC ZINC000575643549 387867728 /nfs/dbraw/zinc/86/77/28/387867728.db2.gz BHJFTTDLSOSUNR-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1ccc(C#N)c(OC)c1C(C)=O ZINC000575643896 387870854 /nfs/dbraw/zinc/87/08/54/387870854.db2.gz DBMIAQWLQRCNPL-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)c(CO)cc1CC ZINC000575644314 387872053 /nfs/dbraw/zinc/87/20/53/387872053.db2.gz WUONSGVEPJFXSA-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1cc(CO)c(C#N)cc1CC ZINC000575644532 387872113 /nfs/dbraw/zinc/87/21/13/387872113.db2.gz YIXLQMHFGBNYED-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN Cc1cc(Cl)cc([C@@H]2CNC(=O)C2)c1 ZINC000238536440 387872221 /nfs/dbraw/zinc/87/22/21/387872221.db2.gz ATRPZNHQOKBTEG-VIFPVBQESA-N 0 0 209.676 2.252 10 0 BEAERN N#Cc1ccc(OC(F)(F)F)c(F)c1CO ZINC000575650123 387890134 /nfs/dbraw/zinc/89/01/34/387890134.db2.gz WKXNLNLEWVSKHT-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN Cc1cc(C#N)cc(CO)c1C(F)(F)F ZINC000575650737 387890987 /nfs/dbraw/zinc/89/09/87/387890987.db2.gz ZDRFMBVULXGETG-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN Cc1cc(CO)c(OC(F)F)cc1C ZINC000575653193 387894587 /nfs/dbraw/zinc/89/45/87/387894587.db2.gz ZVVKMQSIEABSJO-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN CCc1cc(CO)c(OC(F)F)cc1F ZINC000575653493 387895795 /nfs/dbraw/zinc/89/57/95/387895795.db2.gz JOFQZHMNQHPOCD-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(C=O)c(OC(F)F)cc1O ZINC000575653794 387895810 /nfs/dbraw/zinc/89/58/10/387895810.db2.gz PDTIEUOKKXVMFJ-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN O=C(CC(F)(F)F)N[C@@H]1COc2ccccc21 ZINC000194869866 387896788 /nfs/dbraw/zinc/89/67/88/387896788.db2.gz ZSMSBBKPVLFSEU-MRVPVSSYSA-N 0 0 245.200 2.189 10 0 BEAERN N#Cc1ccc(C=O)c(OC(F)(F)F)c1F ZINC000575644837 387877019 /nfs/dbraw/zinc/87/70/19/387877019.db2.gz AZJQEKCXYFAFQK-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN Cc1ccoc1C(=O)N[C@H]1COc2ccccc21 ZINC000194866190 387898462 /nfs/dbraw/zinc/89/84/62/387898462.db2.gz ZYDAVWHNAPLBRB-NSHDSACASA-N 0 0 243.262 2.452 10 0 BEAERN N#CCc1cc(C=O)cc(C#N)c1C(F)(F)F ZINC000575645246 387879742 /nfs/dbraw/zinc/87/97/42/387879742.db2.gz DLJNLXINRZAECN-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCOc1cc(C(C)=O)cc(OC)c1C#N ZINC000575647895 387880373 /nfs/dbraw/zinc/88/03/73/387880373.db2.gz MFRZQFMOUOPOKQ-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCc1c(C#N)ccc(OC)c1[N+](=O)[O-] ZINC000575647021 387880618 /nfs/dbraw/zinc/88/06/18/387880618.db2.gz KWLJIBXUMHNASR-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN COc1c(C=O)ccc(C(F)(F)F)c1C#N ZINC000575647981 387880689 /nfs/dbraw/zinc/88/06/89/387880689.db2.gz JZZXKHRCFUDNPU-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN COc1cc(C(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575647912 387880752 /nfs/dbraw/zinc/88/07/52/387880752.db2.gz ITNWVRIGRJTFDA-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN CCOc1cc(OCC)c(C#N)c([N+](=O)[O-])c1 ZINC000575647169 387880900 /nfs/dbraw/zinc/88/09/00/387880900.db2.gz DNLVGGSCLWIUPK-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN N#CCc1cc(C#N)c(C=O)c(C(F)(F)F)c1 ZINC000575646773 387881422 /nfs/dbraw/zinc/88/14/22/387881422.db2.gz KQJAWYLCXVUUKP-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCOc1ccc(O)c(C#N)c1OCC ZINC000575648582 387884812 /nfs/dbraw/zinc/88/48/12/387884812.db2.gz GSFCCTLLCKHEIX-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CCOc1ccc([N+](=O)[O-])c(C#N)c1OCC ZINC000575648580 387885395 /nfs/dbraw/zinc/88/53/95/387885395.db2.gz GRUGIKXMOYVVGR-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CCOc1cc(C(C)=O)c(C#N)cc1OC ZINC000575649302 387886425 /nfs/dbraw/zinc/88/64/25/387886425.db2.gz QGQFBXXHJZONKD-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN N#Cc1cc(F)c(OC(F)(F)F)cc1CO ZINC000575649021 387886484 /nfs/dbraw/zinc/88/64/84/387886484.db2.gz SKULZABIEGXXCQ-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN COc1cc(CO)c(C(F)(F)F)cc1C#N ZINC000575649747 387887875 /nfs/dbraw/zinc/88/78/75/387887875.db2.gz RLEUZMSTLBKZLZ-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1nnc(CSc2ccccn2)n1C ZINC000194659401 387888273 /nfs/dbraw/zinc/88/82/73/387888273.db2.gz XASGTJJBEFCYGN-UHFFFAOYSA-N 0 0 234.328 2.065 10 0 BEAERN COc1ccc(C(F)(F)F)c(CO)c1C#N ZINC000575649774 387888395 /nfs/dbraw/zinc/88/83/95/387888395.db2.gz RSALNFYLEPLIHX-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCOc1cc(F)cc(OCC)c1C#N ZINC000575651324 387888502 /nfs/dbraw/zinc/88/85/02/387888502.db2.gz UVKXDGSDKGSSFY-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCOc1cc(C#N)c(OCC)cc1O ZINC000575651429 387899165 /nfs/dbraw/zinc/89/91/65/387899165.db2.gz XZNMPLRTCIVCHI-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN OCc1cc(O)cc(OC(F)F)c1C(F)F ZINC000575652273 387900985 /nfs/dbraw/zinc/90/09/85/387900985.db2.gz NGRHPSXHAUJTHZ-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)Cc2ccncc2)o1 ZINC000194955783 387901897 /nfs/dbraw/zinc/90/18/97/387901897.db2.gz PSAAZYSCIYSJPU-LLVKDONJSA-N 0 0 244.294 2.403 10 0 BEAERN OCc1c(OC(F)F)cc(O)cc1C(F)F ZINC000575652676 387902558 /nfs/dbraw/zinc/90/25/58/387902558.db2.gz UYGKTNQVFQWURR-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN CCc1nnc(CN([C@H](C)C2CC2)C2CC2)n1C ZINC000195068108 387902875 /nfs/dbraw/zinc/90/28/75/387902875.db2.gz JUQRWLLBSFABNV-SNVBAGLBSA-N 0 0 248.374 2.140 10 0 BEAERN CC(C)n1nnnc1CN([C@@H](C)C1CC1)C1CC1 ZINC000195068282 387905154 /nfs/dbraw/zinc/90/51/54/387905154.db2.gz MOJNVSIMLRRVKD-JTQLQIEISA-N 0 0 249.362 2.017 10 0 BEAERN CCOc1nc2c(ncnc2Cl)s1 ZINC000306365947 387916059 /nfs/dbraw/zinc/91/60/59/387916059.db2.gz JKCDRAHXXXMBNC-UHFFFAOYSA-N 0 0 215.665 2.138 10 0 BEAERN CCn1nccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245540917 387953255 /nfs/dbraw/zinc/95/32/55/387953255.db2.gz NIGLPWNAPSCJRQ-KGLIPLIRSA-N 0 0 249.358 2.046 10 0 BEAERN COc1nccc([C@@H]2CCC(=O)C2)c1F ZINC000306314766 387964511 /nfs/dbraw/zinc/96/45/11/387964511.db2.gz PZCPHLABMUNMII-SSDOTTSWSA-N 0 0 209.220 2.066 10 0 BEAERN Cc1cc(F)c(NC(N)=O)cc1Cl ZINC000306313482 387981154 /nfs/dbraw/zinc/98/11/54/387981154.db2.gz OMBXVCUQMLYTAV-UHFFFAOYSA-N 0 0 202.616 2.278 10 0 BEAERN Cc1ccc(Cl)c2c3nn(C)c(=O)c-3c[nH]c12 ZINC000053994876 387977095 /nfs/dbraw/zinc/97/70/95/387977095.db2.gz ZIYIYBQEKSRVFW-UHFFFAOYSA-N 0 0 247.685 2.377 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)cc(Cl)n1 ZINC000125790009 177807971 /nfs/dbraw/zinc/80/79/71/177807971.db2.gz PWMBTFXTXMFJOI-HZGVNTEJSA-N 0 0 224.691 2.182 10 0 BEAERN CCSCC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245945602 387996046 /nfs/dbraw/zinc/99/60/46/387996046.db2.gz AAKFDNRFQHSTMO-AXFHLTTASA-N 0 0 245.388 2.202 10 0 BEAERN C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245966108 387997592 /nfs/dbraw/zinc/99/75/92/387997592.db2.gz DTFNSYXGRHVAGK-WZRBSPASSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC2[C@@H](C)CCC[C@@H]2C)O1 ZINC000246010110 388003057 /nfs/dbraw/zinc/00/30/57/388003057.db2.gz KXTCMMBNCHEHJD-NNYUYHANSA-N 0 0 239.359 2.495 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000246080161 388006772 /nfs/dbraw/zinc/00/67/72/388006772.db2.gz DJKDUMDZKUDPKA-NOOOWODRSA-N 0 0 227.348 2.210 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C)[C@@H]2C)O1 ZINC000246115717 388010612 /nfs/dbraw/zinc/01/06/12/388010612.db2.gz YBALKZHOZXABBD-WHOHXGKFSA-N 0 0 225.332 2.201 10 0 BEAERN Cc1ccc(C(=O)NCCc2ccsc2)n1C ZINC000046242691 388010694 /nfs/dbraw/zinc/01/06/94/388010694.db2.gz ROHALFDPQHUVCU-UHFFFAOYSA-N 0 0 248.351 2.368 10 0 BEAERN Cc1cccc(O[C@H](C)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000246249346 388024587 /nfs/dbraw/zinc/02/45/87/388024587.db2.gz ZBZLRBMXBUTHNJ-WZRBSPASSA-N 0 0 233.311 2.287 10 0 BEAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCS1 ZINC000108652309 388041292 /nfs/dbraw/zinc/04/12/92/388041292.db2.gz AKGMDGJLUYSCFG-QMMMGPOBSA-N 0 0 217.334 2.359 10 0 BEAERN CC(C)OC(=O)N1CCSCC[C@@H]1C ZINC000306627259 388041887 /nfs/dbraw/zinc/04/18/87/388041887.db2.gz IPWXMRSBHQRJNV-VIFPVBQESA-N 0 0 217.334 2.359 10 0 BEAERN C[C@@H](CC(=O)NCc1c[nH]cn1)C(C)(C)C ZINC000084081755 388070042 /nfs/dbraw/zinc/07/00/42/388070042.db2.gz SDDBSULWJHVSMB-VIFPVBQESA-N 0 0 223.320 2.098 10 0 BEAERN C[C@H]([NH2+]Cc1ccncc1Cl)[C@H]1CCCO1 ZINC000084084768 388070968 /nfs/dbraw/zinc/07/09/68/388070968.db2.gz FSXCKJDYDANUGC-JOYOIKCWSA-N 0 0 240.734 2.392 10 0 BEAERN CSCCc1nc2c(nccc2C)[nH]1 ZINC000069985662 388076808 /nfs/dbraw/zinc/07/68/08/388076808.db2.gz UWBWCRUGPKISED-UHFFFAOYSA-N 0 0 207.302 2.172 10 0 BEAERN CCc1nnc(CN2CCCC[C@H]2CC)n1C ZINC000195007320 388081900 /nfs/dbraw/zinc/08/19/00/388081900.db2.gz JLRVNHMXTVZVAJ-LLVKDONJSA-N 0 0 236.363 2.142 10 0 BEAERN CC[C@H]1CCCCN1Cc1nnnn1C(C)C ZINC000195007467 388082152 /nfs/dbraw/zinc/08/21/52/388082152.db2.gz BADKZSNQBIOJFQ-NSHDSACASA-N 0 0 237.351 2.019 10 0 BEAERN CC(C)N(Cc1nnc(C2CC2)n1C)C1CC1 ZINC000195059016 388085907 /nfs/dbraw/zinc/08/59/07/388085907.db2.gz DRSUATJRGBZUKU-UHFFFAOYSA-N 0 0 234.347 2.065 10 0 BEAERN CC[C@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000195073465 388096687 /nfs/dbraw/zinc/09/66/87/388096687.db2.gz RDNZQSDSCWTTJF-NSHDSACASA-N 0 0 248.374 2.315 10 0 BEAERN CNc1ccc(OC)c(Br)c1 ZINC000071519552 388097430 /nfs/dbraw/zinc/09/74/30/388097430.db2.gz BZYHQRMBFOGPCJ-UHFFFAOYSA-N 0 0 216.078 2.499 10 0 BEAERN CC(C)(C(=O)N1CC[C@H](CCO)C1)C1CCC1 ZINC000322190850 388168694 /nfs/dbraw/zinc/16/86/94/388168694.db2.gz JKWDRVDTNHDNJT-LLVKDONJSA-N 0 0 239.359 2.044 10 0 BEAERN CN=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC000521399312 256515621 /nfs/dbraw/zinc/51/56/21/256515621.db2.gz DWQIFZYZWXPIJZ-LBPRGKRZSA-N 0 0 203.694 2.427 10 0 BEAERN CC(=O)OCC(=O)c1ccc(Cl)c(F)c1 ZINC000382711434 388275912 /nfs/dbraw/zinc/27/59/12/388275912.db2.gz YYLRXBPJNICVEM-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN c1nnsc1N[C@@H]1CCCSCC1 ZINC000575518364 388354750 /nfs/dbraw/zinc/35/47/50/388354750.db2.gz NWKVIRJOHYGOPK-SSDOTTSWSA-N 0 0 215.347 2.236 10 0 BEAERN CC1(Nc2nc(F)ncc2Cl)CC1 ZINC000575519259 388355942 /nfs/dbraw/zinc/35/59/42/388355942.db2.gz GTMSJLXGLGNWDN-UHFFFAOYSA-N 0 0 201.632 2.234 10 0 BEAERN Cc1ncsc1C(=O)C(F)(F)Cl ZINC000575518740 388356408 /nfs/dbraw/zinc/35/64/08/388356408.db2.gz SLDJKALMEJGZKB-UHFFFAOYSA-N 0 0 211.620 2.466 10 0 BEAERN CCc1cccc(C)c1N1CC[C@H](CO)C1 ZINC000058837003 388389394 /nfs/dbraw/zinc/38/93/94/388389394.db2.gz RPGSJGNRZBGFRT-LBPRGKRZSA-N 0 0 219.328 2.376 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)N[C@H]2C[C@H]2C)s1 ZINC000246519827 388443248 /nfs/dbraw/zinc/44/32/48/388443248.db2.gz DKEXZLRLLMSIHW-YEPSODPASA-N 0 0 239.344 2.220 10 0 BEAERN CSC1CCN(c2ccc(C=O)o2)CC1 ZINC000300867228 388459124 /nfs/dbraw/zinc/45/91/24/388459124.db2.gz QDWIZLVOHOBWNC-UHFFFAOYSA-N 0 0 225.313 2.424 10 0 BEAERN COc1ccc2c(c1)CCN2C(=O)NC(C)C ZINC000058482573 388459454 /nfs/dbraw/zinc/45/94/54/388459454.db2.gz YYWHUFNJBFGDCF-UHFFFAOYSA-N 0 0 234.299 2.176 10 0 BEAERN O=C(CCC1CCC1)NC[C@H]1CCCC[C@H]1O ZINC000176852435 388464034 /nfs/dbraw/zinc/46/40/34/388464034.db2.gz CTVILLBIRXAQKR-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1c(O)cccc1O ZINC000649236587 388464861 /nfs/dbraw/zinc/46/48/61/388464861.db2.gz ULIIAJXMMKAHEP-IVZWLZJFSA-N 0 0 247.294 2.016 10 0 BEAERN CCSCC[C@H](C)Nc1nncs1 ZINC000133981946 388472780 /nfs/dbraw/zinc/47/27/80/388472780.db2.gz CJVQQAZNNMSJNM-ZETCQYMHSA-N 0 0 217.363 2.482 10 0 BEAERN C[C@H](Nc1ccnc2cccnc21)[C@H]1CCCO1 ZINC000338643512 388475820 /nfs/dbraw/zinc/47/58/20/388475820.db2.gz HPCIEAOIAHHZQL-GXFFZTMASA-N 0 0 243.310 2.031 10 0 BEAERN COC(=O)/C=C/[C@H](C)OCc1ccccc1 ZINC000004262309 388407662 /nfs/dbraw/zinc/40/76/62/388407662.db2.gz HQXFTCDXKMAFJW-FBOQAHMBSA-N 0 0 220.268 2.321 10 0 BEAERN CC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000040173615 388412845 /nfs/dbraw/zinc/41/28/45/388412845.db2.gz MNYYYUVAGNKKLC-UHFFFAOYSA-N 0 0 246.093 2.312 10 0 BEAERN CCn1ccnc1CSC[C@@H]1CCCO1 ZINC000175283158 388428457 /nfs/dbraw/zinc/42/84/57/388428457.db2.gz KMCJOBBUXHMAQS-JTQLQIEISA-N 0 0 226.345 2.315 10 0 BEAERN Cc1cc(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n[nH]1 ZINC000246089415 388437934 /nfs/dbraw/zinc/43/79/34/388437934.db2.gz MRSMGRWYDADUOA-UFGOTCBOSA-N 0 0 249.358 2.202 10 0 BEAERN C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@H]2CCCCO2)n[nH]1 ZINC000246143014 388439267 /nfs/dbraw/zinc/43/92/67/388439267.db2.gz CPZYSUDTACTHLA-WCABBAIRSA-N 0 0 249.314 2.041 10 0 BEAERN COC(=O)[C@@H](CC(C)C)NC1(C(C)C)CC1 ZINC000339513941 388485057 /nfs/dbraw/zinc/48/50/57/388485057.db2.gz WORLFZWWMIIOEL-LLVKDONJSA-N 0 0 227.348 2.352 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)CC(C)(C)C1CC1 ZINC000405765854 388489752 /nfs/dbraw/zinc/48/97/52/388489752.db2.gz IXLJAIOMYZGOCV-JQWIXIFHSA-N 0 0 239.359 2.185 10 0 BEAERN c1csc([C@@H](Nc2cnccn2)C2CC2)n1 ZINC000135313863 388490617 /nfs/dbraw/zinc/49/06/17/388490617.db2.gz ZAXUAKQOBPRRBK-JTQLQIEISA-N 0 0 232.312 2.496 10 0 BEAERN CC(F)(F)CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378739737 388493451 /nfs/dbraw/zinc/49/34/51/388493451.db2.gz IJTDAFAOPXYDJI-CIUDSAMLSA-N 0 0 219.275 2.045 10 0 BEAERN O=C(N[C@@H]1CCOC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000179045790 388510215 /nfs/dbraw/zinc/51/02/15/388510215.db2.gz IKDZQCHKOMMDNB-AGIUHOORSA-N 0 0 237.343 2.108 10 0 BEAERN O=C1N[C@H]2CCCC[C@@H]2c2ccccc21 ZINC000001595653 388587156 /nfs/dbraw/zinc/58/71/56/388587156.db2.gz CQQBPJQEIHYWQX-PWSUYJOCSA-N 0 0 201.269 2.456 10 0 in-vivo BEAERN Cc1cc(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000175672511 388562558 /nfs/dbraw/zinc/56/25/58/388562558.db2.gz RTCNNTKRVPTWQZ-QWRGUYRKSA-N 0 0 237.299 2.146 10 0 BEAERN CCO[C@H](CCNC(=O)N[C@H]1C[C@H]1C)C(C)C ZINC000245441764 388579554 /nfs/dbraw/zinc/57/95/54/388579554.db2.gz VSDYLUFNHVJYML-GRYCIOLGSA-N 0 0 242.363 2.145 10 0 BEAERN CCN(CC)C(=O)NCCCCSC ZINC000124836884 388666119 /nfs/dbraw/zinc/66/61/19/388666119.db2.gz FCXCHINRQVHFCE-UHFFFAOYSA-N 0 0 218.366 2.181 10 0 BEAERN C[C@@H]1C[C@H](C)C[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000252145590 388623345 /nfs/dbraw/zinc/62/33/45/388623345.db2.gz NVYDVHIPPJRVHA-BZBKMWRSSA-N 0 0 211.305 2.018 10 0 BEAERN OCC[C@H]1CCN(c2nccc3ccccc32)C1 ZINC000124226985 388661468 /nfs/dbraw/zinc/66/14/68/388661468.db2.gz AQFJVUOQKYOOTI-GFCCVEGCSA-N 0 0 242.322 2.444 10 0 BEAERN COC(=O)c1cc(Br)c(F)nc1C ZINC000521399970 388704448 /nfs/dbraw/zinc/70/44/48/388704448.db2.gz JIXFAFALKVKISL-UHFFFAOYSA-N 0 0 248.051 2.078 10 0 BEAERN CCc1cc(C(=O)N[C@H](C)c2ccc(C)o2)[nH]n1 ZINC000126820819 388704726 /nfs/dbraw/zinc/70/47/26/388704726.db2.gz RLRPBFRXVYMZPA-SECBINFHSA-N 0 0 247.298 2.365 10 0 BEAERN CN(C(=O)NC[C@H]1CCCS1)C1CCC1 ZINC000127011403 388710846 /nfs/dbraw/zinc/71/08/46/388710846.db2.gz HSEQKWZITUKOPP-SNVBAGLBSA-N 0 0 228.361 2.076 10 0 BEAERN CC[C@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000249279797 388715347 /nfs/dbraw/zinc/71/53/47/388715347.db2.gz MHYHQPNRNSINMY-WCQYABFASA-N 0 0 237.347 2.075 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)O1 ZINC000127401939 388723277 /nfs/dbraw/zinc/72/32/77/388723277.db2.gz LMULQBKJQAHWAG-PELKAZGASA-N 0 0 245.282 2.069 10 0 BEAERN CCC1CCC(NC(=O)NCCCCO)CC1 ZINC000194273648 388727557 /nfs/dbraw/zinc/72/75/57/388727557.db2.gz NWARTMDHKBYRQJ-UHFFFAOYSA-N 0 0 242.363 2.027 10 0 BEAERN FC(F)C1(c2nc(Br)no2)CC1 ZINC000575449866 388732043 /nfs/dbraw/zinc/73/20/43/388732043.db2.gz ZHIZFXOQDRNLPV-UHFFFAOYSA-N 0 0 239.019 2.129 10 0 BEAERN CCC(CC)NC(=O)CCCSC ZINC000127899958 388732822 /nfs/dbraw/zinc/73/28/22/388732822.db2.gz DGHNHTIHCBJCBJ-UHFFFAOYSA-N 0 0 203.351 2.434 10 0 BEAERN CC[C@H](NC(=O)c1cccnc1F)C(C)C ZINC000229920478 388804683 /nfs/dbraw/zinc/80/46/83/388804683.db2.gz UQZHRXAFLRKFQU-JTQLQIEISA-N 0 0 224.279 2.385 10 0 BEAERN OC1CC(CNc2cccc(C(F)(F)F)n2)C1 ZINC000091538325 388765309 /nfs/dbraw/zinc/76/53/09/388765309.db2.gz WHMQWHFCOXQHRJ-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C)n[nH]1 ZINC000230182932 388818694 /nfs/dbraw/zinc/81/86/94/388818694.db2.gz CWSNSFGHLDBPMB-VXNVDRBHSA-N 0 0 207.277 2.093 10 0 BEAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1c(C)nn(C)c1OC ZINC000231675172 388839865 /nfs/dbraw/zinc/83/98/65/388839865.db2.gz SRJLPMMNOLQAAE-ZYHUDNBSSA-N 0 0 237.347 2.015 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC/C=C\c2ccccc2)O1 ZINC000254915378 388865207 /nfs/dbraw/zinc/86/52/07/388865207.db2.gz SRYHZUKKWZQDEZ-HPFKKHKDSA-N 0 0 245.322 2.384 10 0 BEAERN CCc1nnc(CN[C@H](C)c2ccc(C)o2)o1 ZINC000193281734 388845436 /nfs/dbraw/zinc/84/54/36/388845436.db2.gz KAXHUBCSFIRSFY-SECBINFHSA-N 0 0 235.287 2.384 10 0 BEAERN c1coc([C@@H]2C[C@@H]2c2nc([C@H]3CCOC3)no2)c1 ZINC000299748536 388845509 /nfs/dbraw/zinc/84/55/09/388845509.db2.gz HJWISZOXQFEANZ-AEJSXWLSSA-N 0 0 246.266 2.438 10 0 BEAERN CC(C)n1nccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000337202137 388850432 /nfs/dbraw/zinc/85/04/32/388850432.db2.gz GPCJYVNYSFHBCL-AAEUAGOBSA-N 0 0 237.347 2.121 10 0 BEAERN COC(=O)Cc1cc(C)c(OC(F)(F)F)cn1 ZINC000575375074 388883438 /nfs/dbraw/zinc/88/34/38/388883438.db2.gz KSRWJCPJHBVZEG-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000153010255 388915963 /nfs/dbraw/zinc/91/59/63/388915963.db2.gz HBIDKWLSNNRCDI-WDEREUQCSA-N 0 0 234.299 2.204 10 0 BEAERN CC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153278655 388959235 /nfs/dbraw/zinc/95/92/35/388959235.db2.gz OHFCWZRTVTZVEJ-LBPRGKRZSA-N 0 0 207.248 2.339 10 0 BEAERN Cc1ccc(C(=O)NC[C@H](O)C(C)(C)C)s1 ZINC000268677026 389003724 /nfs/dbraw/zinc/00/37/24/389003724.db2.gz FTGLISJXWPPOJU-JTQLQIEISA-N 0 0 241.356 2.193 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nnc(C(F)F)s1 ZINC000270750418 389013726 /nfs/dbraw/zinc/01/37/26/389013726.db2.gz JSPKSBIJIXDRMG-RFZPGFLSSA-N 0 0 235.259 2.065 10 0 BEAERN Cc1cnc(N[C@H](C)[C@@H]2CCCO2)nc1C ZINC000270730373 389013884 /nfs/dbraw/zinc/01/38/84/389013884.db2.gz UGSWIYZDIVBCJV-MNOVXSKESA-N 0 0 221.304 2.073 10 0 BEAERN Nc1cnc(C(F)(F)F)nc1N1CCCCC1 ZINC000026475151 132292625 /nfs/dbraw/zinc/29/26/25/132292625.db2.gz PMVAYYFOUGMJEQ-UHFFFAOYSA-N 0 0 246.236 2.068 10 0 BEAERN C[C@]1([C@H]([NH3+])c2cncs2)CCCS1 ZINC000575515268 389046918 /nfs/dbraw/zinc/04/69/18/389046918.db2.gz PRSXKYVIARDAGT-RKDXNWHRSA-N 0 0 214.359 2.429 10 0 BEAERN C[C@H](C(=O)NC[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000273238055 389038656 /nfs/dbraw/zinc/03/86/56/389038656.db2.gz QBRRJTSJKBQMKP-WCQYABFASA-N 0 0 249.354 2.313 10 0 BEAERN CCCN1CCNc2ccc(OC)cc21 ZINC000076969926 132303210 /nfs/dbraw/zinc/30/32/10/132303210.db2.gz JKVJTEOZEAFOQI-UHFFFAOYSA-N 0 0 206.289 2.337 10 0 BEAERN COCCN1CCNc2ccc(Cl)cc21 ZINC000076969754 132309594 /nfs/dbraw/zinc/30/95/94/132309594.db2.gz QFDYVNZHLJKLSR-UHFFFAOYSA-N 0 0 226.707 2.218 10 0 BEAERN Cc1ccc(N)cc1N1C[C@@H](C)OC[C@@H]1C ZINC000053734986 132363581 /nfs/dbraw/zinc/36/35/81/132363581.db2.gz HWYURGIXLYFLMU-WDEREUQCSA-N 0 0 220.316 2.191 10 0 BEAERN C[C@H]1CN(c2cncc(Cl)n2)CCS1 ZINC000122504651 132225082 /nfs/dbraw/zinc/22/50/82/132225082.db2.gz WWEJFSYOFBPNFU-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN Cc1cncc(N2CCS[C@H](C)[C@@H]2C)n1 ZINC000302226789 132261897 /nfs/dbraw/zinc/26/18/97/132261897.db2.gz PUFOATZIBXVOCQ-VHSXEESVSA-N 0 0 223.345 2.115 10 0 BEAERN C[C@@H]1CCCCN1c1nc2ccccc2[nH]c1=O ZINC000040351491 132295967 /nfs/dbraw/zinc/29/59/67/132295967.db2.gz WLUHPJUEWYKNNJ-SNVBAGLBSA-N 0 0 243.310 2.302 10 0 BEAERN Cc1cccc2c1N1CCSC[C@@H]1CN2 ZINC000076648580 132309063 /nfs/dbraw/zinc/30/90/63/132309063.db2.gz NHIJGFWYERRHLS-JTQLQIEISA-N 0 0 220.341 2.342 10 0 BEAERN CN1C[C@H](CCCO)Cc2ccccc21 ZINC000005328888 132317749 /nfs/dbraw/zinc/31/77/49/132317749.db2.gz OKHXDJSBAUNQHV-LLVKDONJSA-N 0 0 205.301 2.068 10 0 BEAERN Cc1ccc2c(c1)CCCN2CC(N)=S ZINC000019474798 132325530 /nfs/dbraw/zinc/32/55/30/132325530.db2.gz XKIIZVHNCBQNHF-UHFFFAOYSA-N 0 0 220.341 2.034 10 0 BEAERN Cc1ccc(N2CCC(=O)CC2)c(C)c1 ZINC000019504035 132325640 /nfs/dbraw/zinc/32/56/40/132325640.db2.gz URFADLCERSZZSR-UHFFFAOYSA-N 0 0 203.285 2.473 10 0 BEAERN Cc1ccc2c(c1)CCCN2CCC(N)=S ZINC000019506544 132325732 /nfs/dbraw/zinc/32/57/32/132325732.db2.gz KTKUJHAYFJDUNA-UHFFFAOYSA-N 0 0 234.368 2.424 10 0 BEAERN O=C1CCN(c2cc(F)ccc2F)CC1 ZINC000019510893 132325785 /nfs/dbraw/zinc/32/57/85/132325785.db2.gz KNMBOKKTRWIASX-UHFFFAOYSA-N 0 0 211.211 2.134 10 0 BEAERN C[C@@H]1CCCCN1c1ncccc1C(N)=S ZINC000019511436 132325799 /nfs/dbraw/zinc/32/57/99/132325799.db2.gz GDPUJRWGVSEYAK-SECBINFHSA-N 0 0 235.356 2.095 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)cc2F)C[C@@H](C)O1 ZINC000020078947 132329664 /nfs/dbraw/zinc/32/96/64/132329664.db2.gz UXDXMYXTMOTFEA-NXEZZACHSA-N 0 0 237.274 2.252 10 0 BEAERN CCC(=O)c1ccc(N2CCN(C)CC2)cc1 ZINC000032089653 132335221 /nfs/dbraw/zinc/33/52/21/132335221.db2.gz NLSOZTRVROQIOL-UHFFFAOYSA-N 0 0 232.327 2.031 10 0 BEAERN C[C@H]1CN(c2cccc(Cl)c2CO)CCO1 ZINC000034956789 132337256 /nfs/dbraw/zinc/33/72/56/132337256.db2.gz LULXDSVMPYZEHR-VIFPVBQESA-N 0 0 241.718 2.057 10 0 BEAERN Nc1ccc(N2CCSCC2)c2ncccc12 ZINC000035341819 132338339 /nfs/dbraw/zinc/33/83/39/132338339.db2.gz CIUQWCZLNONKEE-UHFFFAOYSA-N 0 0 245.351 2.370 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000035631115 132338916 /nfs/dbraw/zinc/33/89/16/132338916.db2.gz WYMBYIMPNCLGKP-GRYCIOLGSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@H]1CCCN(c2ccc(N)c3nonc32)C1 ZINC000035675216 132339120 /nfs/dbraw/zinc/33/91/20/132339120.db2.gz AFLLEQKWUPDFSO-QMMMGPOBSA-N 0 0 232.287 2.041 10 0 BEAERN Cc1cc(N2C[C@H](C)OC[C@@H]2C)ccc1N ZINC000035783705 132339772 /nfs/dbraw/zinc/33/97/72/132339772.db2.gz VNGCYVYYRHBJMO-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN Nc1nnc(CN2CCCc3ccccc32)s1 ZINC000036239370 132341399 /nfs/dbraw/zinc/34/13/99/132341399.db2.gz UIMGESDGERVMLK-UHFFFAOYSA-N 0 0 246.339 2.073 10 0 BEAERN CC[C@H]1COCCN1c1ccc(N)c(C)c1 ZINC000036322893 132342160 /nfs/dbraw/zinc/34/21/60/132342160.db2.gz ZIKISMYYDIDFAD-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@H]1COCCN1c1ccc(N)cc1C ZINC000036322869 132342307 /nfs/dbraw/zinc/34/23/07/132342307.db2.gz GFUXYQSKFHIVTC-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1nn(C)c(N2CCCc3ccccc32)c1N ZINC000036748928 132342503 /nfs/dbraw/zinc/34/25/03/132342503.db2.gz SQXAZVOCLFGZFY-UHFFFAOYSA-N 0 0 242.326 2.395 10 0 BEAERN CCc1ccc(N2CCCCC2=O)cc1N ZINC000037757292 132345300 /nfs/dbraw/zinc/34/53/00/132345300.db2.gz HFWKNLKWUOWAPZ-UHFFFAOYSA-N 0 0 218.300 2.348 10 0 BEAERN CCc1ccc(N2CCC(O)CC2)cc1 ZINC000039101033 132346506 /nfs/dbraw/zinc/34/65/06/132346506.db2.gz DXIWNAJBXKHOGH-UHFFFAOYSA-N 0 0 205.301 2.210 10 0 BEAERN O=C1CCCc2cc(N3CCOCC3)ccc21 ZINC000039415782 132347122 /nfs/dbraw/zinc/34/71/22/132347122.db2.gz SIEWSRSYXYODNE-UHFFFAOYSA-N 0 0 231.295 2.042 10 0 BEAERN CCN1CCNc2cc(Br)cnc21 ZINC000049455863 132355911 /nfs/dbraw/zinc/35/59/11/132355911.db2.gz FZXWMICEIXMJDO-UHFFFAOYSA-N 0 0 242.120 2.096 10 0 BEAERN C[C@H]1CN(c2ccc(N(C)C)cc2)CCC1=O ZINC000049693761 132356534 /nfs/dbraw/zinc/35/65/34/132356534.db2.gz DPLYQLOVYBJMPL-NSHDSACASA-N 0 0 232.327 2.168 10 0 BEAERN COc1ccc(OC)c(N2CCC(=O)[C@@H](C)C2)c1 ZINC000049693467 132356548 /nfs/dbraw/zinc/35/65/48/132356548.db2.gz FGDBSUHKEULCJI-JTQLQIEISA-N 0 0 249.310 2.119 10 0 BEAERN COc1cc(OC)cc(N2CCC(=O)C[C@@H]2C)c1 ZINC000049707650 132357014 /nfs/dbraw/zinc/35/70/14/132357014.db2.gz RAHBZMCTGUWALN-JTQLQIEISA-N 0 0 249.310 2.262 10 0 BEAERN CN1c2ccc(C(=O)C3CC3)cc2CCC1=O ZINC000049821404 132358277 /nfs/dbraw/zinc/35/82/77/132358277.db2.gz MMICVZUSVFTPTE-UHFFFAOYSA-N 0 0 229.279 2.188 10 0 BEAERN Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1CO ZINC000050582408 132359214 /nfs/dbraw/zinc/35/92/14/132359214.db2.gz WTRCUSSXNZHPLV-TXEJJXNPSA-N 0 0 235.327 2.101 10 0 BEAERN Cc1nc(Cl)cc(N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000052835755 132362642 /nfs/dbraw/zinc/36/26/42/132362642.db2.gz DHYMBQRDHIJTBH-HTQZYQBOSA-N 0 0 241.722 2.052 10 0 BEAERN Cc1ccc(N2CCCC[C@H]2CCO)c(N)c1 ZINC000057384296 132365644 /nfs/dbraw/zinc/36/56/44/132365644.db2.gz LXKMNTYRFQXZES-LBPRGKRZSA-N 0 0 234.343 2.319 10 0 BEAERN CC(C)(C)NC(=O)CN1CCCc2ccccc21 ZINC000058873594 132368531 /nfs/dbraw/zinc/36/85/31/132368531.db2.gz WOCNSWZRJPKEMP-UHFFFAOYSA-N 0 0 246.354 2.354 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ccnc(C(N)=S)c2)C1 ZINC000061812193 132387276 /nfs/dbraw/zinc/38/72/76/132387276.db2.gz LKPGQALJBHPCRY-AOOOYVTPSA-N 0 0 249.383 2.198 10 0 BEAERN C[C@@H]1CCN(c2ncnc(Cl)c2N)[C@H](C)C1 ZINC000062364399 132387659 /nfs/dbraw/zinc/38/76/59/132387659.db2.gz FQTXYCVKLPSBHB-HTQZYQBOSA-N 0 0 240.738 2.337 10 0 BEAERN Cc1c(N)cccc1N1C[C@H](C)OC[C@@H]1C ZINC000062724688 132388603 /nfs/dbraw/zinc/38/86/03/132388603.db2.gz AZHJOGOLQXWEJN-UWVGGRQHSA-N 0 0 220.316 2.191 10 0 BEAERN CC[C@@H]1CN(c2cccc(N)c2C)CCO1 ZINC000062724700 132388713 /nfs/dbraw/zinc/38/87/13/132388713.db2.gz RPVDAFRVTOICGY-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN CNC(=O)Nc1cc(N)ccc1N1CCCCC1 ZINC000065336269 132389309 /nfs/dbraw/zinc/38/93/09/132389309.db2.gz WGGIPGJSWNYYIM-UHFFFAOYSA-N 0 0 248.330 2.010 10 0 BEAERN C[C@H](O)c1ccc(N2CCOCC2)cc1Cl ZINC000070603150 132390988 /nfs/dbraw/zinc/39/09/88/132390988.db2.gz LTKMTPNTPFSSOG-VIFPVBQESA-N 0 0 241.718 2.230 10 0 BEAERN C[C@@H](O)c1ccc(N2CCOCC2)cc1Cl ZINC000070603153 132391109 /nfs/dbraw/zinc/39/11/09/132391109.db2.gz LTKMTPNTPFSSOG-SECBINFHSA-N 0 0 241.718 2.230 10 0 BEAERN c1cc(C2CCN(c3cncnc3)CC2)ccn1 ZINC000072344653 132396727 /nfs/dbraw/zinc/39/67/27/132396727.db2.gz VRLYZPODXLGMBC-UHFFFAOYSA-N 0 0 240.310 2.256 10 0 BEAERN Nc1ccc(Cl)nc1N1CCCCC1 ZINC000074376102 132399860 /nfs/dbraw/zinc/39/98/60/132399860.db2.gz MFCJLOVYLWLAKN-UHFFFAOYSA-N 0 0 211.696 2.308 10 0 BEAERN Fc1ccc2c(c1)N1CCSC[C@@H]1CN2 ZINC000082361503 132413746 /nfs/dbraw/zinc/41/37/46/132413746.db2.gz NGYSRMQMVVPGKW-VIFPVBQESA-N 0 0 224.304 2.173 10 0 BEAERN C[C@@H]1CN(c2ncc(Cl)cc2F)C[C@@H](C)O1 ZINC000094052859 132428357 /nfs/dbraw/zinc/42/83/57/132428357.db2.gz GMLIGRNYYUOACL-HTQZYQBOSA-N 0 0 244.697 2.488 10 0 BEAERN Cc1ccc(N2CCOC(C)(C)C2)cc1N ZINC000061701373 132502322 /nfs/dbraw/zinc/50/23/22/132502322.db2.gz GENIPYGEJLYVSY-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN CC(C)CCNC(=O)Nc1cccc(N)c1 ZINC000019993126 166851678 /nfs/dbraw/zinc/85/16/78/166851678.db2.gz BITUSVGTLQAVRA-UHFFFAOYSA-N 0 0 221.304 2.436 10 0 BEAERN COc1cc2ccc(N)cc2cc1OC ZINC000039189222 133464189 /nfs/dbraw/zinc/46/41/89/133464189.db2.gz JQGSFVRQRHRJRX-UHFFFAOYSA-N 0 0 203.241 2.439 10 0 BEAERN O[C@]12CCCC[C@H]1CN(CC(F)(F)F)CC2 ZINC000088023395 133544900 /nfs/dbraw/zinc/54/49/00/133544900.db2.gz SPKYAZPXRZFBEC-UWVGGRQHSA-N 0 0 237.265 2.176 10 0 BEAERN CC[C@H](C)CC(=O)N1CCC[C@@H]1CCCO ZINC000164460166 133599022 /nfs/dbraw/zinc/59/90/22/133599022.db2.gz JADHHDBEILWSAB-NWDGAFQWSA-N 0 0 227.348 2.186 10 0 BEAERN Cc1nnc(N2CCSC[C@@H]2C)n1C(C)C ZINC000334521941 133681190 /nfs/dbraw/zinc/68/11/90/133681190.db2.gz HWPACTJZAKYAEF-VIFPVBQESA-N 0 0 240.376 2.109 10 0 BEAERN CC(C)c1cnc(N2C[C@H](C)C[C@H](O)C2)s1 ZINC000334812005 133751425 /nfs/dbraw/zinc/75/14/25/133751425.db2.gz FRSJNQATNBETCU-ZJUUUORDSA-N 0 0 240.372 2.474 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@H]3CCC[C@H]32)n1 ZINC000335443798 133847242 /nfs/dbraw/zinc/84/72/42/133847242.db2.gz CBLSEIDWCRNRQO-NXEZZACHSA-N 0 0 221.279 2.221 10 0 BEAERN OC1(CN2CCc3ccc(F)cc32)CCC1 ZINC000335937119 134012812 /nfs/dbraw/zinc/01/28/12/134012812.db2.gz MZPPCRKJKFYSEU-UHFFFAOYSA-N 0 0 221.275 2.103 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]32)ccc1O ZINC000335968055 134028918 /nfs/dbraw/zinc/02/89/18/134028918.db2.gz JJYYUPLQHQZSJQ-RYUDHWBXSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1ccnc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000335992261 134040642 /nfs/dbraw/zinc/04/06/42/134040642.db2.gz HJWHGGCXCQMHRJ-WDEREUQCSA-N 0 0 231.299 2.406 10 0 BEAERN CC1(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000336110471 134086516 /nfs/dbraw/zinc/08/65/16/134086516.db2.gz MVOVOHUVXLYJDF-NWDGAFQWSA-N 0 0 237.343 2.347 10 0 BEAERN O=C1NCCN1c1ccc(F)c(Cl)c1 ZINC000169077958 134248988 /nfs/dbraw/zinc/24/89/88/134248988.db2.gz IVQZJZIPIHTHDH-UHFFFAOYSA-N 0 0 214.627 2.009 10 0 BEAERN C[C@H](CCc1ccccc1)N1CC[NH+]=C1[O-] ZINC000169096352 134249497 /nfs/dbraw/zinc/24/94/97/134249497.db2.gz KIDMLMWQSIOUMH-LLVKDONJSA-N 0 0 218.300 2.033 10 0 BEAERN O=C(C1CC1)N1CCC(Cc2ccccn2)CC1 ZINC000171614461 134256871 /nfs/dbraw/zinc/25/68/71/134256871.db2.gz NRDHUYPKIKLZEQ-UHFFFAOYSA-N 0 0 244.338 2.273 10 0 BEAERN O[C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccco1 ZINC000172067934 134261204 /nfs/dbraw/zinc/26/12/04/134261204.db2.gz WAJSTJLIJDYLQW-UONOGXRCSA-N 0 0 229.279 2.028 10 0 BEAERN Cc1cnc([C@H](C)NCCOC(C)(C)C)o1 ZINC000220929599 134315147 /nfs/dbraw/zinc/31/51/47/134315147.db2.gz LCYUGWHIDXAGGA-JTQLQIEISA-N 0 0 226.320 2.449 10 0 BEAERN COc1ncccc1CN[C@@H](C)c1ncc(C)o1 ZINC000220902694 134315217 /nfs/dbraw/zinc/31/52/17/134315217.db2.gz DIUZURYZBMCHGG-JTQLQIEISA-N 0 0 247.298 2.237 10 0 BEAERN O=C(Nc1c[nH]nc1-c1ccccc1)NC1CC1 ZINC000179347697 134319927 /nfs/dbraw/zinc/31/99/27/134319927.db2.gz JIXWLELSRIAIDM-UHFFFAOYSA-N 0 0 242.282 2.361 10 0 BEAERN CC(C)[C@@H](C)CC(=O)Nc1ccc2nncn2c1 ZINC000179634127 134322751 /nfs/dbraw/zinc/32/27/51/134322751.db2.gz XKWQDBBICYDVMJ-JTQLQIEISA-N 0 0 246.314 2.350 10 0 BEAERN COCCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183450468 134351617 /nfs/dbraw/zinc/35/16/17/134351617.db2.gz VEHVLTMSLDRJQW-GHMZBOCLSA-N 0 0 227.348 2.211 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCC1(CO)CCCC1 ZINC000226230603 134361744 /nfs/dbraw/zinc/36/17/44/134361744.db2.gz PYADWQGMJJSANW-NEPJUHHUSA-N 0 0 239.359 2.092 10 0 BEAERN O[C@@H]1CCOc2c(N[C@@H]3CCCOC3)cccc21 ZINC000184572069 134363677 /nfs/dbraw/zinc/36/36/77/134363677.db2.gz BLVUZCFQJODODK-ZWNOBZJWSA-N 0 0 249.310 2.093 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccncc2F)o1 ZINC000226613399 134367952 /nfs/dbraw/zinc/36/79/52/134367952.db2.gz HCRSIDWNFOQSKA-QMMMGPOBSA-N 0 0 249.245 2.008 10 0 BEAERN Cc1ccc(NC(=O)N2CC[C@H](CCO)C2)cc1 ZINC000227529226 134382741 /nfs/dbraw/zinc/38/27/41/134382741.db2.gz PETZGWLYVDKCEY-GFCCVEGCSA-N 0 0 248.326 2.231 10 0 BEAERN OC1(CN2CCc3ccc(F)cc32)CCCC1 ZINC000227784616 134395098 /nfs/dbraw/zinc/39/50/98/134395098.db2.gz CWIQFEHXFFJPDR-UHFFFAOYSA-N 0 0 235.302 2.493 10 0 BEAERN COC[C@H](C)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000150832286 134455926 /nfs/dbraw/zinc/45/59/26/134455926.db2.gz MLDXINVVGJJJCT-SDDRHHMPSA-N 0 0 227.348 2.306 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)c1ccccc1 ZINC000230171532 134486212 /nfs/dbraw/zinc/48/62/12/134486212.db2.gz ABDUPLXMDAGHFC-MRVWCRGKSA-N 0 0 247.338 2.272 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)NC1CCCC1 ZINC000231677441 134543061 /nfs/dbraw/zinc/54/30/61/134543061.db2.gz JYVIKXQGMFGPKA-KOLCDFICSA-N 0 0 210.321 2.417 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)C(C)(C)O)cc1F ZINC000189962379 134554980 /nfs/dbraw/zinc/55/49/80/134554980.db2.gz KPQOHZGZDAJHPY-VIFPVBQESA-N 0 0 239.290 2.082 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190798246 134565343 /nfs/dbraw/zinc/56/53/43/134565343.db2.gz RWRGIOAJTJPOKK-NXEZZACHSA-N 0 0 249.301 2.305 10 0 BEAERN CCC(CC)C(=O)N[C@H]1CCCCC[C@H]1O ZINC000130876683 134623919 /nfs/dbraw/zinc/62/39/19/134623919.db2.gz STQMPAHVUMUBEY-NWDGAFQWSA-N 0 0 227.348 2.232 10 0 BEAERN CCCCCC(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000130881182 134624463 /nfs/dbraw/zinc/62/44/63/134624463.db2.gz NHHGHXFPWCRYRU-NEPJUHHUSA-N 0 0 227.348 2.377 10 0 BEAERN CCCNC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000049268818 134630682 /nfs/dbraw/zinc/63/06/82/134630682.db2.gz ZYTAROBRIOLXCK-VXGBXAGGSA-N 0 0 218.300 2.252 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000049367914 134631906 /nfs/dbraw/zinc/63/19/06/134631906.db2.gz AWVJFMWNNKUFGY-NXEZZACHSA-N 0 0 225.288 2.190 10 0 BEAERN Cc1cscc1N[C@@H]1CCCS(=O)(=O)C1 ZINC000134326842 134707442 /nfs/dbraw/zinc/70/74/42/134707442.db2.gz WKOSOHCIJINXOB-SECBINFHSA-N 0 0 245.369 2.046 10 0 BEAERN CN(C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000135996695 134760943 /nfs/dbraw/zinc/76/09/43/134760943.db2.gz YEPXYDZILUGOGU-UHFFFAOYSA-N 0 0 225.317 2.115 10 0 BEAERN FC(F)(F)[C@@H]1CCCN[C@H]1C(F)(F)F ZINC000307479862 134872003 /nfs/dbraw/zinc/87/20/03/134872003.db2.gz JWKCJWXTADEJAD-RFZPGFLSSA-N 0 0 221.144 2.479 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@@H]1C ZINC000246551233 134955669 /nfs/dbraw/zinc/95/56/69/134955669.db2.gz CWDPJNUXAIOYDN-LOWVWBTDSA-N 0 0 217.312 2.390 10 0 BEAERN CCc1nnc(CN(C)c2ccc(F)cc2)n1C ZINC000195093948 134961429 /nfs/dbraw/zinc/96/14/29/134961429.db2.gz CTCWGJVBCMRGLG-UHFFFAOYSA-N 0 0 248.305 2.153 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H]1C ZINC000248616674 135017242 /nfs/dbraw/zinc/01/72/42/135017242.db2.gz ARLBRNDZKVDIBF-NDBYEHHHSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC(C)(C)C(C)(C)O ZINC000230176336 135019960 /nfs/dbraw/zinc/01/99/60/135019960.db2.gz AJTPWJXFWHHQKM-ZJUUUORDSA-N 0 0 227.348 2.088 10 0 BEAERN CC[C@H](C)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000249076105 135032274 /nfs/dbraw/zinc/03/22/74/135032274.db2.gz BHAZQXAZJCKJKC-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000250690520 135057972 /nfs/dbraw/zinc/05/79/72/135057972.db2.gz KAAKKTXWOGECKT-JHJVBQTASA-N 0 0 239.359 2.185 10 0 BEAERN CC(C)(C)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077205111 135060049 /nfs/dbraw/zinc/06/00/49/135060049.db2.gz WAUREDDJQDBVCP-QWRGUYRKSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)(C)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077205114 135060083 /nfs/dbraw/zinc/06/00/83/135060083.db2.gz WAUREDDJQDBVCP-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN COCCNc1nc2c(s1)CCC2(C)C ZINC000086855808 135098896 /nfs/dbraw/zinc/09/88/96/135098896.db2.gz YSNAWZHGYRRBOI-UHFFFAOYSA-N 0 0 226.345 2.425 10 0 BEAERN C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000253353716 135126242 /nfs/dbraw/zinc/12/62/42/135126242.db2.gz WKZACNWMWDOLGT-WYUUTHIRSA-N 0 0 225.332 2.201 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000253350765 135126302 /nfs/dbraw/zinc/12/63/02/135126302.db2.gz BFODGCNTRUCPGB-TUAOUCFPSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCCO[C@H]1C ZINC000253353715 135126361 /nfs/dbraw/zinc/12/63/61/135126361.db2.gz WKZACNWMWDOLGT-WHOHXGKFSA-N 0 0 225.332 2.201 10 0 BEAERN CC[C@H](C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000255842118 135130706 /nfs/dbraw/zinc/13/07/06/135130706.db2.gz FMUDOKYUBAHSKT-TUAOUCFPSA-N 0 0 225.332 2.203 10 0 BEAERN C/C=C/CCNc1ccc(S(C)(=O)=O)cc1 ZINC000164188086 135215390 /nfs/dbraw/zinc/21/53/90/135215390.db2.gz SLXJMBBSOAHUTN-ONEGZZNKSA-N 0 0 239.340 2.468 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1sccc1F ZINC000334276657 135332761 /nfs/dbraw/zinc/33/27/61/135332761.db2.gz CWZZXIKEOQEDQP-HTQZYQBOSA-N 0 0 243.303 2.137 10 0 BEAERN Cc1ccc2c(c1)[C@H]([N@H+](C)CC(=O)[O-])[C@@H](C)C2 ZINC000263447640 135355347 /nfs/dbraw/zinc/35/53/47/135355347.db2.gz YHKRCDSLRSQZIQ-IINYFYTJSA-N 0 0 233.311 2.245 10 0 BEAERN Cc1cccc(CC[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000263448041 135355483 /nfs/dbraw/zinc/35/54/83/135355483.db2.gz YNMQCCJWTVIURT-ZDUSSCGKSA-N 0 0 233.311 2.087 10 0 BEAERN Cc1ccc2c(c1)[C@H]([NH+]1CC(C(=O)[O-])C1)[C@H](C)C2 ZINC000263524482 135357799 /nfs/dbraw/zinc/35/77/99/135357799.db2.gz SQKOLNHFTJIJQD-QMTHXVAHSA-N 0 0 245.322 2.245 10 0 BEAERN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]32)c(C)n1C ZINC000334343395 135364427 /nfs/dbraw/zinc/36/44/27/135364427.db2.gz QYTZVJBNEVLNSA-YPMHNXCESA-N 0 0 232.327 2.266 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCC1CC1 ZINC000081007088 135386001 /nfs/dbraw/zinc/38/60/01/135386001.db2.gz ZFLAVBZXVNJIJE-QMTHXVAHSA-N 0 0 245.322 2.467 10 0 BEAERN CCc1ccc(C(=O)N2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000335087109 135408399 /nfs/dbraw/zinc/40/83/99/135408399.db2.gz RADAMSJFZGBMMX-BXUZGUMPSA-N 0 0 247.338 2.092 10 0 BEAERN O=C(c1ccc[nH]1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000082277650 135432444 /nfs/dbraw/zinc/43/24/44/135432444.db2.gz AFBBZOYEUAXHCO-GFCCVEGCSA-N 0 0 244.298 2.105 10 0 BEAERN Nc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000083936311 135461688 /nfs/dbraw/zinc/46/16/88/135461688.db2.gz SKAMTEAABSMMCI-ZDUSSCGKSA-N 0 0 230.311 2.283 10 0 BEAERN CCCC[C@@H](CC)C(=O)N(C)CC1CC(O)C1 ZINC000091490318 135562334 /nfs/dbraw/zinc/56/23/34/135562334.db2.gz WSSVTILRIYMCLA-OTTFEQOBSA-N 0 0 241.375 2.432 10 0 BEAERN Cc1cc2c(ccnc2NC[C@H](C)CO)o1 ZINC000165942615 135792179 /nfs/dbraw/zinc/79/21/79/135792179.db2.gz FTPGUUWZZCXHCN-QMMMGPOBSA-N 0 0 220.272 2.177 10 0 BEAERN Cc1cccc(F)c1NCc1nnnn1C(C)C ZINC000345187740 135889886 /nfs/dbraw/zinc/88/98/86/135889886.db2.gz FBXSWLWFFYOPDD-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN C[C@@H]1CN(Cc2cccc(F)c2N)C[C@@H](C)O1 ZINC000156332818 397759103 /nfs/dbraw/zinc/75/91/03/397759103.db2.gz KVIQOGWAUVVXNE-NXEZZACHSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)cc1O ZINC000052293393 397742275 /nfs/dbraw/zinc/74/22/75/397742275.db2.gz KGFPQPBNTDKRNX-HZGVNTEJSA-N 0 0 225.675 2.184 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC1Cc2ccccc2C1 ZINC000186463782 397877885 /nfs/dbraw/zinc/87/78/85/397877885.db2.gz MWLADKFADSFPDM-NSHDSACASA-N 0 0 246.354 2.498 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCCC1(F)F ZINC000306873551 397931862 /nfs/dbraw/zinc/93/18/62/397931862.db2.gz XXIOUZKUVXZTEU-ZCFIWIBFSA-N 0 0 209.623 2.043 10 0 BEAERN C[C@@H]1[C@@H](O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447694 397933609 /nfs/dbraw/zinc/93/36/09/397933609.db2.gz GRGUTZRHELOISE-NRUUGDAUSA-N 0 0 241.331 2.014 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@H](C)[C@H](C)C2)n1 ZINC000336401186 397939685 /nfs/dbraw/zinc/93/96/85/397939685.db2.gz QJEPSIDVHUAUOQ-OCAPTIKFSA-N 0 0 223.295 2.325 10 0 BEAERN C[C@@H]1CC[C@H](n2cnnc2Cl)CS1 ZINC000575463874 397946633 /nfs/dbraw/zinc/94/66/33/397946633.db2.gz DJOMANMUWMZURL-RQJHMYQMSA-N 0 0 217.725 2.388 10 0 BEAERN C[C@H]1CC[C@H](n2cnnc2Cl)CS1 ZINC000575463855 397946980 /nfs/dbraw/zinc/94/69/80/397946980.db2.gz DJOMANMUWMZURL-BQBZGAKWSA-N 0 0 217.725 2.388 10 0 BEAERN OCc1nnc(-c2ccc(Cl)cc2)s1 ZINC000238703439 397958100 /nfs/dbraw/zinc/95/81/00/397958100.db2.gz MEVRMSNSYQNXAI-UHFFFAOYSA-N 0 0 226.688 2.351 10 0 BEAERN CCC(=O)Nc1cccn2nc(C3CCC3)nc12 ZINC000065283767 397961373 /nfs/dbraw/zinc/96/13/73/397961373.db2.gz MNOQVNQUFRVKNW-UHFFFAOYSA-N 0 0 244.298 2.345 10 0 BEAERN CCCc1cc(NC(=O)[C@H](C)CSC)n[nH]1 ZINC000110847986 397905273 /nfs/dbraw/zinc/90/52/73/397905273.db2.gz NVGNMYPSMJQKIR-MRVPVSSYSA-N 0 0 241.360 2.300 10 0 BEAERN CO[C@@H](c1nccnc1Cl)C(C)C ZINC000306866222 397922932 /nfs/dbraw/zinc/92/29/32/397922932.db2.gz NRZHCNSMVUBCAU-MRVPVSSYSA-N 0 0 200.669 2.474 10 0 BEAERN CC[C@H](O)[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000307154260 397990231 /nfs/dbraw/zinc/99/02/31/397990231.db2.gz KSGNQIUIBVSSFF-BIIVOSGPSA-N 0 0 212.211 2.115 10 0 BEAERN C[C@H]1C[C@]1(C)c1nc(Br)no1 ZINC000575467671 397995118 /nfs/dbraw/zinc/99/51/18/397995118.db2.gz ZIJGJENGGXACEC-FFWSUHOLSA-N 0 0 217.066 2.130 10 0 BEAERN CCN(CC1CC1)C(=O)CCCSC ZINC000121079064 398000665 /nfs/dbraw/zinc/00/06/65/398000665.db2.gz ZPWIAVMWQUWQSK-UHFFFAOYSA-N 0 0 215.362 2.388 10 0 BEAERN Cc1csc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000293614563 398002659 /nfs/dbraw/zinc/00/26/59/398002659.db2.gz DZTBCZVLIKPARV-ZJUUUORDSA-N 0 0 239.340 2.354 10 0 BEAERN Cc1csc(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000293614553 398002893 /nfs/dbraw/zinc/00/28/93/398002893.db2.gz DZTBCZVLIKPARV-NXEZZACHSA-N 0 0 239.340 2.354 10 0 BEAERN C[C@H](NC(N)=O)c1cccc(Br)c1 ZINC000042295745 398013169 /nfs/dbraw/zinc/01/31/69/398013169.db2.gz NMBVGHQDPYDNKX-LURJTMIESA-N 0 0 243.104 2.178 10 0 BEAERN Nc1ncc(Br)cc1OCC1CC1 ZINC000146070849 398016022 /nfs/dbraw/zinc/01/60/22/398016022.db2.gz HTNYRXUSEVDCMJ-UHFFFAOYSA-N 0 0 243.104 2.215 10 0 BEAERN C[C@H]1CN(c2nsnc2Cl)[C@H]1C ZINC000575599492 398019009 /nfs/dbraw/zinc/01/90/09/398019009.db2.gz LOYPGIROJCRKAW-WHFBIAKZSA-N 0 0 203.698 2.036 10 0 BEAERN CC/C(=C/c1cnc2ccccn12)[N+](=O)[O-] ZINC000211602471 398047584 /nfs/dbraw/zinc/04/75/84/398047584.db2.gz RRGQUDMHXJAMDM-CLFYSBASSA-N 0 0 217.228 2.362 10 0 BEAERN COc1sc(C)nc1Br ZINC000040544431 398028304 /nfs/dbraw/zinc/02/83/04/398028304.db2.gz UFPAUVNWSDZXTR-UHFFFAOYSA-N 0 0 208.080 2.223 10 0 BEAERN N#CCc1c(C#N)cc(C=O)cc1OC(F)F ZINC000575639932 398038515 /nfs/dbraw/zinc/03/85/15/398038515.db2.gz KUIRXUTUFCFBIO-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1ccc(OC(F)F)c(C)c1CO ZINC000575659002 398040331 /nfs/dbraw/zinc/04/03/31/398040331.db2.gz XZNIBZDMBQNPSI-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCCC(=O)NCc1c(C)ccc(N)c1C ZINC000616571328 397982607 /nfs/dbraw/zinc/98/26/07/397982607.db2.gz FZSPSMLWLZQFNM-UHFFFAOYSA-N 0 0 220.316 2.302 10 0 BEAERN O=C1CCCC[C@@H](Cc2csnn2)C1 ZINC000307126977 397983960 /nfs/dbraw/zinc/98/39/60/397983960.db2.gz BYPKDAXNNXQFKK-QMMMGPOBSA-N 0 0 210.302 2.230 10 0 BEAERN C[C@H](CF)Nc1ncc(Cl)cc1N ZINC000575582520 397984620 /nfs/dbraw/zinc/98/46/20/397984620.db2.gz GDWNXETZNDEZRU-RXMQYKEDSA-N 0 0 203.648 2.087 10 0 BEAERN COc1cccc(CC(=O)OC(C)(C)C)c1N ZINC000584594306 398077209 /nfs/dbraw/zinc/07/72/09/398077209.db2.gz ZKCNRSYVZMLHOL-UHFFFAOYSA-N 0 0 237.299 2.162 10 0 BEAERN CCCC[C@@]1(c2cccc(OC)c2)CNC1=O ZINC000584624927 398079460 /nfs/dbraw/zinc/07/94/60/398079460.db2.gz NJPFROHEQLZZKW-AWEZNQCLSA-N 0 0 233.311 2.253 10 0 BEAERN CC(C)=C[C@]1(C)O[C@@H]1C(=O)OC(C)(C)C ZINC000584658080 398081944 /nfs/dbraw/zinc/08/19/44/398081944.db2.gz LDLAKGBXPMPOFQ-SKDRFNHKSA-N 0 0 212.289 2.452 10 0 BEAERN CC(C)(C)c1ccc2c(c1)C=NS(=O)(=O)O2 ZINC000584639619 398084055 /nfs/dbraw/zinc/08/40/55/398084055.db2.gz UHNMNEIMQTWJOC-UHFFFAOYSA-N 0 0 239.296 2.040 10 0 BEAERN F[C@@H]1CN[C@H](c2nc(-c3ccsc3)no2)C1 ZINC000409422798 398084822 /nfs/dbraw/zinc/08/48/22/398084822.db2.gz IZYGAZZCKPHXJG-YUMQZZPRSA-N 0 0 239.275 2.171 10 0 BEAERN COC(=O)C[C@H](c1ccc(Cl)cc1)[C@H]1CO1 ZINC000205379892 398056050 /nfs/dbraw/zinc/05/60/50/398056050.db2.gz MHWXNFLYCKKJAH-GHMZBOCLSA-N 0 0 240.686 2.386 10 0 BEAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC1CCCC1 ZINC000192772174 398108692 /nfs/dbraw/zinc/10/86/92/398108692.db2.gz UFIJFRGDWAUDCV-RYUDHWBXSA-N 0 0 233.311 2.128 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000245903589 398118991 /nfs/dbraw/zinc/11/89/91/398118991.db2.gz AGHKWZPGWVJXLU-LEWSCRJBSA-N 0 0 247.338 2.053 10 0 BEAERN CCN(C(=O)c1ccc(F)cc1N)C1CC1 ZINC000062822426 1172782306 /nfs/dbraw/zinc/78/23/06/1172782306.db2.gz MWNJNFKXNWRYSE-UHFFFAOYSA-N 0 0 222.263 2.032 10 0 BEAERN CC(C)CNc1nc2c(s1)COCC2 ZINC000061714677 167019062 /nfs/dbraw/zinc/01/90/62/167019062.db2.gz FNJNLPUDFFDKKE-UHFFFAOYSA-N 0 0 212.318 2.284 10 0 BEAERN CC(C)COC(=O)N1CCCC[C@H]1CCO ZINC000037863452 167021536 /nfs/dbraw/zinc/02/15/36/167021536.db2.gz GAJBLKYYDVECGZ-NSHDSACASA-N 0 0 229.320 2.016 10 0 BEAERN CSCCCC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000121629533 175470202 /nfs/dbraw/zinc/47/02/02/175470202.db2.gz NKDASAZEPPYSJC-UWVGGRQHSA-N 0 0 247.429 2.482 10 0 BEAERN CC(C)OCCSCC(=O)NC(C)(C)C ZINC000105638872 167251090 /nfs/dbraw/zinc/25/10/90/167251090.db2.gz QPVZNXFIIKQNHX-UHFFFAOYSA-N 0 0 233.377 2.059 10 0 BEAERN CC(C)OC[C@H](O)CSc1cccc(O)c1 ZINC000126964384 167270296 /nfs/dbraw/zinc/27/02/96/167270296.db2.gz DKUAJJSBFFSMNP-NSHDSACASA-N 0 0 242.340 2.270 10 0 BEAERN CC(C)OCc1ccccc1C(N)=S ZINC000019440642 167272256 /nfs/dbraw/zinc/27/22/56/167272256.db2.gz QSYUVGGHXDEQSB-UHFFFAOYSA-N 0 0 209.314 2.246 10 0 BEAERN CCN(C)c1noc(-c2ccc(C)cc2O)n1 ZINC000228227919 487599462 /nfs/dbraw/zinc/59/94/62/487599462.db2.gz QNHJZHDFELMKNH-UHFFFAOYSA-N 0 0 233.271 2.207 10 0 BEAERN CCCc1noc(C[C@]2(O)CC[C@@H](C)C2)n1 ZINC000536955701 487604114 /nfs/dbraw/zinc/60/41/14/487604114.db2.gz QEYPWTOAGKOXPA-SKDRFNHKSA-N 0 0 224.304 2.116 10 0 BEAERN CC(C)S(=O)(=O)Nc1ccc(N)cc1Cl ZINC000037657229 167319455 /nfs/dbraw/zinc/31/94/55/167319455.db2.gz CUJSAEUIKMSWKF-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN CC(C)S(=O)(=O)c1c(N)cccc1Cl ZINC000084039659 167319594 /nfs/dbraw/zinc/31/95/94/167319594.db2.gz VITISNUAFCEGKL-UHFFFAOYSA-N 0 0 233.720 2.104 10 0 BEAERN CCc1c(OC)ccc(OC(F)F)c1CO ZINC000575656377 409871784 /nfs/dbraw/zinc/87/17/84/409871784.db2.gz FSXRYFABNWSMAD-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCCc1ccc([C@@H]2COCC2=O)cc1 ZINC000521400553 487611218 /nfs/dbraw/zinc/61/12/18/487611218.db2.gz NYJGWOIBWWTDGB-LBPRGKRZSA-N 0 0 204.269 2.322 10 0 BEAERN CNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000050852630 409933179 /nfs/dbraw/zinc/93/31/79/409933179.db2.gz ZHCGJXMPXUQDBR-UHFFFAOYSA-N 0 0 217.247 2.248 10 0 BEAERN Brc1ccc(-c2ccco2)nn1 ZINC000044118122 166095532 /nfs/dbraw/zinc/09/55/32/166095532.db2.gz UZTQLLRUSAIQKP-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cc(-n2cccn2)ccn1 ZINC000044118623 166095553 /nfs/dbraw/zinc/09/55/53/166095553.db2.gz XEEWOMHURIGWAD-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cc(-c2ccoc2)ncn1 ZINC000044119057 166096723 /nfs/dbraw/zinc/09/67/23/166096723.db2.gz NHJMGWPILUMYER-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccc(-c2cncnc2)cn1 ZINC000044121137 166097932 /nfs/dbraw/zinc/09/79/32/166097932.db2.gz CNVBGTPITCHFDO-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cccc(Cc2nnc[nH]2)c1 ZINC000082549086 166101650 /nfs/dbraw/zinc/10/16/50/166101650.db2.gz QMCVZKISDHQXDO-UHFFFAOYSA-N 0 0 238.088 2.158 10 0 BEAERN Brc1cccc(-c2cncnc2)n1 ZINC000044120524 166101965 /nfs/dbraw/zinc/10/19/65/166101965.db2.gz PHZOEDLQYBNPGC-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cccc2c1COCO2 ZINC000259070509 166102087 /nfs/dbraw/zinc/10/20/87/166102087.db2.gz CNWVGGDFCRJERC-UHFFFAOYSA-N 0 0 215.046 2.316 10 0 BEAERN Brc1cccc(-c2ncncn2)c1 ZINC000082548261 166102094 /nfs/dbraw/zinc/10/20/94/166102094.db2.gz FBEFGTBROJEHTM-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccccc1[C@H]1NCCO1 ZINC000071533579 166102584 /nfs/dbraw/zinc/10/25/84/166102584.db2.gz HIOYDESBNOJHQT-VIFPVBQESA-N 0 0 228.089 2.068 10 0 BEAERN Brc1ccncc1-c1ncco1 ZINC000095709607 166103045 /nfs/dbraw/zinc/10/30/45/166103045.db2.gz CCWBNWHVYCSAJY-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cnc(-c2cncnc2)s1 ZINC000072204636 166104003 /nfs/dbraw/zinc/10/40/03/166104003.db2.gz IZZLDUKTWGVCLD-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Brc1cnc([C@H]2CCCOC2)cn1 ZINC000044122234 166105146 /nfs/dbraw/zinc/10/51/46/166105146.db2.gz CHEICDHDKYODEF-ZETCQYMHSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1csc(-n2ccnc2)n1 ZINC000044117439 166106704 /nfs/dbraw/zinc/10/67/04/166106704.db2.gz BKXNJTBXBDQDPL-UHFFFAOYSA-N 0 0 230.090 2.091 10 0 BEAERN Brc1cncc([C@@H]2CCCOC2)n1 ZINC000072193057 166106827 /nfs/dbraw/zinc/10/68/27/166106827.db2.gz LLIZIWYLHHFLKD-SSDOTTSWSA-N 0 0 243.104 2.133 10 0 BEAERN CCCc1nccnc1N1CCC[C@@H]1C[C@@H](C)O ZINC000663742970 410322384 /nfs/dbraw/zinc/32/23/84/410322384.db2.gz YPHSFBCLXYQSBQ-VXGBXAGGSA-N 0 0 249.358 2.169 10 0 BEAERN CCCc1nccnc1NCCOCC(F)F ZINC000663841794 410352851 /nfs/dbraw/zinc/35/28/51/410352851.db2.gz KIGIFNFXOCCPCH-UHFFFAOYSA-N 0 0 245.273 2.123 10 0 BEAERN CCN(CC)C(=O)c1ccc(C)cc1N ZINC000075613558 169760214 /nfs/dbraw/zinc/76/02/14/169760214.db2.gz OFAIRKNDBSLOKX-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN CCN(CC)C(=O)c1cc(N)c(C)c(F)c1 ZINC000037483968 169759804 /nfs/dbraw/zinc/75/98/04/169759804.db2.gz FOBBDWFYBTVJHU-UHFFFAOYSA-N 0 0 224.279 2.198 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)c1nc(C)cs1 ZINC000153079713 410581201 /nfs/dbraw/zinc/58/12/01/410581201.db2.gz SBNZXHGJKMFOQN-QMMMGPOBSA-N 0 0 242.344 2.087 10 0 BEAERN CC(=O)c1cc2nc(N)oc2c(Cl)c1 ZINC000062525302 166445158 /nfs/dbraw/zinc/44/51/58/166445158.db2.gz RJQSDCAPCUWLIE-UHFFFAOYSA-N 0 0 210.620 2.266 10 0 BEAERN CCN(CC)C(=O)n1c(=O)ccc2ccccc21 ZINC000090449517 169761693 /nfs/dbraw/zinc/76/16/93/169761693.db2.gz DZWNFSOVYGGVIU-UHFFFAOYSA-N 0 0 244.294 2.311 10 0 BEAERN CC(C)(C)CCn1cc(C(=O)C(F)(F)F)nn1 ZINC000053648124 166577094 /nfs/dbraw/zinc/57/70/94/166577094.db2.gz DKJKGXQYLINYTC-UHFFFAOYSA-N 0 0 249.236 2.459 10 0 BEAERN CC(C)(C)CCn1cnc2ccc(N)cc2c1=O ZINC000049254674 166579594 /nfs/dbraw/zinc/57/95/94/166579594.db2.gz PCVYMXNRJPVESR-UHFFFAOYSA-N 0 0 245.326 2.415 10 0 BEAERN CC(C)(C)Cc1cc(N)n([C@H]2CCC[C@H]2O)n1 ZINC000054599764 166605522 /nfs/dbraw/zinc/60/55/22/166605522.db2.gz FMSFRLCGUWAEKI-WDEREUQCSA-N 0 0 237.347 2.140 10 0 BEAERN CC(C)(C)[C@@H](O)CSC[C@H]1CCCO1 ZINC000336679037 166700688 /nfs/dbraw/zinc/70/06/88/166700688.db2.gz FISOLNVNWZQMSR-ZJUUUORDSA-N 0 0 218.362 2.306 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)c1sccc1F ZINC000324296556 166700966 /nfs/dbraw/zinc/70/09/66/166700966.db2.gz UQGOXJLMCUGGTH-QMMMGPOBSA-N 0 0 245.319 2.024 10 0 BEAERN CC(C)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000121261325 166710095 /nfs/dbraw/zinc/71/00/95/166710095.db2.gz HRWBHRYABTZAGQ-LLVKDONJSA-N 0 0 239.340 2.304 10 0 BEAERN CC(C)C1=NCC(=O)Nc2ccccc21 ZINC000066066392 166755558 /nfs/dbraw/zinc/75/55/58/166755558.db2.gz OPAFCQCXCDKWOV-UHFFFAOYSA-N 0 0 202.257 2.084 10 0 BEAERN CC(C)CC(=O)N1CCC(=O)Nc2ccccc21 ZINC000118618900 166760599 /nfs/dbraw/zinc/76/05/99/166760599.db2.gz ILDDVOKBGOMUNP-UHFFFAOYSA-N 0 0 246.310 2.408 10 0 BEAERN CC(C)CCC(=O)N1CCCC[C@@H](CO)C1 ZINC000378199289 166787837 /nfs/dbraw/zinc/78/78/37/166787837.db2.gz DABYXQFMNMJZEZ-GFCCVEGCSA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)CCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000151062221 166795719 /nfs/dbraw/zinc/79/57/19/166795719.db2.gz RBWGVLAPEAYBEN-NEPJUHHUSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)CCC(=O)Nc1ccncc1N ZINC000062725890 166798167 /nfs/dbraw/zinc/79/81/67/166798167.db2.gz LBBBDBCYPWXBOI-UHFFFAOYSA-N 0 0 207.277 2.039 10 0 BEAERN CC(C)CCNC(=O)CCc1cccc(N)c1 ZINC000020187056 166845132 /nfs/dbraw/zinc/84/51/32/166845132.db2.gz LTGWOCXEOVBBBU-UHFFFAOYSA-N 0 0 234.343 2.364 10 0 BEAERN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651124220 410821731 /nfs/dbraw/zinc/82/17/31/410821731.db2.gz CKFHFLRKLCSHPE-XHJNMGKDSA-N 0 0 249.354 2.008 10 0 BEAERN CC(C)C[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000037965291 167015694 /nfs/dbraw/zinc/01/56/94/167015694.db2.gz ACHNEPXLBVFOEQ-CMPLNLGQSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)CNc1cccc(-n2ccnc2)n1 ZINC000309537945 167017686 /nfs/dbraw/zinc/01/76/86/167017686.db2.gz DDWKZGQZTWNJGE-UHFFFAOYSA-N 0 0 216.288 2.335 10 0 BEAERN CC(C)CNc1nc(-c2ccncc2)no1 ZINC000053751017 167018663 /nfs/dbraw/zinc/01/86/63/167018663.db2.gz OSYCFDPZTMLZQL-UHFFFAOYSA-N 0 0 218.260 2.200 10 0 BEAERN CC(C)NC(=O)CNc1cc(F)c(F)cc1F ZINC000061094181 167061121 /nfs/dbraw/zinc/06/11/21/167061121.db2.gz VONILGONOLWFHS-UHFFFAOYSA-N 0 0 246.232 2.040 10 0 BEAERN CC(C)NC(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000036744402 167071205 /nfs/dbraw/zinc/07/12/05/167071205.db2.gz KJAFMANUPOYHOM-VIFPVBQESA-N 0 0 233.315 2.138 10 0 BEAERN CC(C)NC(=O)N[C@H](C)c1ccccc1N ZINC000037179005 167076897 /nfs/dbraw/zinc/07/68/97/167076897.db2.gz ANSJNGQDHGLQHZ-SECBINFHSA-N 0 0 221.304 2.037 10 0 BEAERN CC(C)Nc1ccccc1C(=O)Nc1cc[nH]n1 ZINC000062820161 167147592 /nfs/dbraw/zinc/14/75/92/167147592.db2.gz BVQYNFYRRDZUQU-UHFFFAOYSA-N 0 0 244.298 2.482 10 0 BEAERN CC(C)Nc1cccc(-n2cnnc2)c1 ZINC000036991145 167148065 /nfs/dbraw/zinc/14/80/65/167148065.db2.gz JHQPSBZNZFTIJO-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)Nc1cccnc1-n1cccn1 ZINC000037122113 167149925 /nfs/dbraw/zinc/14/99/25/167149925.db2.gz DFLLQGVSCMWOFB-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)OC(=O)CCC(=O)c1ccc(N)cc1 ZINC000033610996 167155471 /nfs/dbraw/zinc/15/54/71/167155471.db2.gz NMZHMAPEDXIGEK-UHFFFAOYSA-N 0 0 235.283 2.183 10 0 BEAERN CC(C)OCC(=O)N[C@H](C)C1CCCC1 ZINC000122335920 167189018 /nfs/dbraw/zinc/18/90/18/167189018.db2.gz PHIHFTGZQSJHBW-SNVBAGLBSA-N 0 0 213.321 2.106 10 0 BEAERN CC(C)OCc1cc(N)cc2c1OCOC2 ZINC000026514932 167271592 /nfs/dbraw/zinc/27/15/92/167271592.db2.gz VQZYDPMOKCEGOW-UHFFFAOYSA-N 0 0 223.272 2.060 10 0 BEAERN CC(C)Oc1ccc2occ(C=O)c(=O)c2c1 ZINC000033495201 167304738 /nfs/dbraw/zinc/30/47/38/167304738.db2.gz HMPPBLHVZHKXTK-UHFFFAOYSA-N 0 0 232.235 2.393 10 0 BEAERN CC(C)Oc1nc(N2CCC[C@@H]2C)ccc1N ZINC000037910024 167313006 /nfs/dbraw/zinc/31/30/06/167313006.db2.gz UXQANEJTISBUPW-JTQLQIEISA-N 0 0 235.331 2.440 10 0 BEAERN CC(C)Oc1nc(N[C@@H]2C[C@H]2C)ccc1N ZINC000052273936 167314757 /nfs/dbraw/zinc/31/47/57/167314757.db2.gz BEDMHOJCBDCQGU-PSASIEDQSA-N 0 0 221.304 2.271 10 0 BEAERN CC(C)Oc1nccnc1N[C@H]1C[C@H]1C ZINC000302228753 167315730 /nfs/dbraw/zinc/31/57/30/167315730.db2.gz QZCQBFHOKCMCOK-BDAKNGLRSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@H+](C)Cc1cccs1 ZINC000032015432 167343890 /nfs/dbraw/zinc/34/38/90/167343890.db2.gz KJZPQSLCPLOLCY-JTQLQIEISA-N 0 0 227.329 2.289 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171974945 167348172 /nfs/dbraw/zinc/34/81/72/167348172.db2.gz MWSSISZVKKOPNL-YPMHNXCESA-N 0 0 249.358 2.376 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172260089 167350248 /nfs/dbraw/zinc/35/02/48/167350248.db2.gz MNGRLTKEXLVIKI-NEPJUHHUSA-N 0 0 249.358 2.028 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CCOCC12CCC2 ZINC000152048820 167355715 /nfs/dbraw/zinc/35/57/15/167355715.db2.gz LQWRHEGZTYNTRE-LBPRGKRZSA-N 0 0 239.359 2.450 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(F)nc1 ZINC000124818365 167376119 /nfs/dbraw/zinc/37/61/19/167376119.db2.gz QFBCRSKDUNJSHH-MRVPVSSYSA-N 0 0 225.267 2.387 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1nc(N)ccc1Cl ZINC000050700684 167380921 /nfs/dbraw/zinc/38/09/21/167380921.db2.gz WUKODKYHJXZSNV-SSDOTTSWSA-N 0 0 241.722 2.092 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ncc(F)cc1F ZINC000192061251 167381127 /nfs/dbraw/zinc/38/11/27/167381127.db2.gz JYDOJJGIWFVMTK-SSDOTTSWSA-N 0 0 228.242 2.134 10 0 BEAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cnccn1 ZINC000103056941 167467491 /nfs/dbraw/zinc/46/74/91/167467491.db2.gz YVJYJDIAZBWSRL-RYUDHWBXSA-N 0 0 247.342 2.421 10 0 BEAERN CC(C)c1ccc(-c2cnnc(N)n2)cc1 ZINC000036722192 167580730 /nfs/dbraw/zinc/58/07/30/167580730.db2.gz PGRPNRRSSGLCBM-UHFFFAOYSA-N 0 0 214.272 2.244 10 0 BEAERN CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044860439 411141152 /nfs/dbraw/zinc/14/11/52/411141152.db2.gz ZVDFEOVJAOCCMX-YUMQZZPRSA-N 0 0 209.211 2.244 10 0 BEAERN c1ccc2c(c1)nccc2N1CCCCN1 ZINC000400230418 411152133 /nfs/dbraw/zinc/15/21/33/411152133.db2.gz OGONAIATLBKPSH-UHFFFAOYSA-N 0 0 213.284 2.340 10 0 BEAERN CC(C)c1nc(COc2cccc(O)c2)no1 ZINC000049336595 167666599 /nfs/dbraw/zinc/66/65/99/167666599.db2.gz MIGLQXVAACUPQF-UHFFFAOYSA-N 0 0 234.255 2.478 10 0 BEAERN Clc1nc(CBr)ns1 ZINC000047218939 411117939 /nfs/dbraw/zinc/11/79/39/411117939.db2.gz HIDPMAWBGGZCRB-UHFFFAOYSA-N 0 0 213.487 2.086 10 0 BEAERN CC[NH+](CC)[C@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000037360593 169802473 /nfs/dbraw/zinc/80/24/73/169802473.db2.gz REANAGYDASPAIE-CMPLNLGQSA-N 0 0 213.321 2.362 10 0 BEAERN CN(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111048267 411125150 /nfs/dbraw/zinc/12/51/50/411125150.db2.gz HESIQJWECHVOET-VXGBXAGGSA-N 0 0 218.300 2.061 10 0 BEAERN C[C@H]1CC[C@H](C)[NH+]1Cc1ncccc1C(=O)[O-] ZINC000652440739 411243256 /nfs/dbraw/zinc/24/32/56/411243256.db2.gz YKLMFOIPZZSBTM-UWVGGRQHSA-N 0 0 234.299 2.153 10 0 BEAERN C[C@H]1SCCS[C@@H]1c1ncc(C=O)cn1 ZINC000228183178 411182807 /nfs/dbraw/zinc/18/28/07/411182807.db2.gz WGHDAWPKKMGMFC-APPZFPTMSA-N 0 0 240.353 2.199 10 0 BEAERN C[C@H]1SCCS[C@H]1c1ncc(C=O)cn1 ZINC000228183197 411183121 /nfs/dbraw/zinc/18/31/21/411183121.db2.gz WGHDAWPKKMGMFC-VXNVDRBHSA-N 0 0 240.353 2.199 10 0 BEAERN CCN(CC)C(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117562193 411183835 /nfs/dbraw/zinc/18/38/35/411183835.db2.gz QSXWAJLNKMRCQY-ZWNOBZJWSA-N 0 0 233.311 2.420 10 0 BEAERN CC(C)n1cc(N)cc1C(=O)OC1CCC1 ZINC000052146485 167754764 /nfs/dbraw/zinc/75/47/64/167754764.db2.gz XERJHFFUANGHNU-UHFFFAOYSA-N 0 0 222.288 2.361 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000048859258 411218599 /nfs/dbraw/zinc/21/85/99/411218599.db2.gz AMDIHZDMUKZKBJ-SNVBAGLBSA-N 0 0 249.310 2.119 10 0 BEAERN CCc1cc(NC(=O)c2cc(Cl)c[nH]2)n[nH]1 ZINC000049139128 411226203 /nfs/dbraw/zinc/22/62/03/411226203.db2.gz IVGSKJAATJYCLP-UHFFFAOYSA-N 0 0 238.678 2.206 10 0 BEAERN Cc1cc(C(C)C)nc(N2CC[C@@H](CCO)C2)n1 ZINC000124204934 411317614 /nfs/dbraw/zinc/31/76/14/411317614.db2.gz FHQBSZOJZBVPTE-LBPRGKRZSA-N 0 0 249.358 2.117 10 0 BEAERN Cc1cnc([C@@H](C)NCCO[C@@H]2CC2(F)F)o1 ZINC000656684010 411326374 /nfs/dbraw/zinc/32/63/74/411326374.db2.gz RRXDMMDQBHNDRO-RKDXNWHRSA-N 0 0 246.257 2.058 10 0 BEAERN CC1(C)CC[C@@H]1Nc1cccc(OCC(N)=O)c1 ZINC000310937247 167936706 /nfs/dbraw/zinc/93/67/06/167936706.db2.gz NBMBQVLQVDYACJ-LBPRGKRZSA-N 0 0 248.326 2.151 10 0 BEAERN C[N@H+](Cc1ncccc1C(=O)[O-])C1CCCC1 ZINC000304198591 411352649 /nfs/dbraw/zinc/35/26/49/411352649.db2.gz YFRRUVKQFZKCAQ-UHFFFAOYSA-N 0 0 234.299 2.154 10 0 BEAERN C[C@H]1C[C@H](C)[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304198250 411353225 /nfs/dbraw/zinc/35/32/25/411353225.db2.gz YEADVOHGELMJBC-UWVGGRQHSA-N 0 0 234.299 2.010 10 0 BEAERN CC[C@@H](C)C[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304186021 411353294 /nfs/dbraw/zinc/35/32/94/411353294.db2.gz RYYHJVPLIAOKFI-SNVBAGLBSA-N 0 0 236.315 2.258 10 0 BEAERN CC1(C)C[C@H](NC2COC2)c2ccccc2O1 ZINC000163029417 167992214 /nfs/dbraw/zinc/99/22/14/167992214.db2.gz JDHIQKYCYAHHCJ-LBPRGKRZSA-N 0 0 233.311 2.277 10 0 BEAERN Fc1nc(CC2CC2)ncc1Br ZINC000575600412 411343929 /nfs/dbraw/zinc/34/39/29/411343929.db2.gz VHMPZURJXNYYIW-UHFFFAOYSA-N 0 0 231.068 2.331 10 0 BEAERN CC1(CCNc2nc3ccccc3[nH]2)OCCO1 ZINC000302147243 168022102 /nfs/dbraw/zinc/02/21/02/168022102.db2.gz IMZAOTCMUTWWLI-UHFFFAOYSA-N 0 0 247.298 2.128 10 0 BEAERN CC1(CNC(=O)Cc2ccc(O)cc2)CCC1 ZINC000134161812 168029583 /nfs/dbraw/zinc/02/95/83/168029583.db2.gz RGYQIPNPYRIUAH-UHFFFAOYSA-N 0 0 233.311 2.241 10 0 BEAERN CC1(CNC(=O)NC[C@H]2CCCS2)CCC1 ZINC000122923295 168033155 /nfs/dbraw/zinc/03/31/55/168033155.db2.gz HBGBNWWWXLYOKW-SNVBAGLBSA-N 0 0 242.388 2.371 10 0 BEAERN CC1(CNC(=O)c2cnn3c2CCCC3)CCC1 ZINC000127415034 168039578 /nfs/dbraw/zinc/03/95/78/168039578.db2.gz XICKAPJYTTXPCN-UHFFFAOYSA-N 0 0 247.342 2.139 10 0 BEAERN CC1=CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000026441880 168092944 /nfs/dbraw/zinc/09/29/44/168092944.db2.gz RAXVXCJZKFHMRC-UHFFFAOYSA-N 0 0 221.643 2.160 10 0 BEAERN CC1CCC([N@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000042472524 168158278 /nfs/dbraw/zinc/15/82/78/168158278.db2.gz OEGSLZULMCZONT-UHFFFAOYSA-N 0 0 213.321 2.360 10 0 BEAERN CC1CCC(Nc2ncc(N)cn2)CC1 ZINC000040455360 168165621 /nfs/dbraw/zinc/16/56/21/168165621.db2.gz JJWDETQWPUTPHH-UHFFFAOYSA-N 0 0 206.293 2.049 10 0 BEAERN CC1CCC(Nc2ccc(N)cc2C(N)=O)CC1 ZINC000041082229 168165714 /nfs/dbraw/zinc/16/57/14/168165714.db2.gz VTSFSWSBVRSKEW-UHFFFAOYSA-N 0 0 247.342 2.358 10 0 BEAERN CC1CCC(c2nc3c(c(=O)[nH]2)CCCN3)CC1 ZINC000104381803 168169880 /nfs/dbraw/zinc/16/98/80/168169880.db2.gz ZHASNGZNRIOGFU-UHFFFAOYSA-N 0 0 247.342 2.422 10 0 BEAERN CC1CC[NH+](CC2(C(=O)[O-])CCCC2)CC1 ZINC000049820195 168179914 /nfs/dbraw/zinc/17/99/14/168179914.db2.gz SZCPDVLBTLDOIU-UHFFFAOYSA-N 0 0 225.332 2.363 10 0 BEAERN CCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105846420 168218124 /nfs/dbraw/zinc/21/81/24/168218124.db2.gz CAZMLETVGMYMAN-LLVKDONJSA-N 0 0 235.331 2.110 10 0 BEAERN CCC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000120896327 168222470 /nfs/dbraw/zinc/22/24/70/168222470.db2.gz NENNGRPVAKFBID-JTQLQIEISA-N 0 0 225.313 2.058 10 0 BEAERN CCC(=O)Nc1cccc(N[C@@H](C)COC)c1 ZINC000053172539 168245745 /nfs/dbraw/zinc/24/57/45/168245745.db2.gz LCHTVORKKGXESC-JTQLQIEISA-N 0 0 236.315 2.482 10 0 BEAERN CCC(=O)Nc1nc(C)c(Cl)s1 ZINC000005459099 168248662 /nfs/dbraw/zinc/24/86/62/168248662.db2.gz QHLFJSMAWAWVRU-UHFFFAOYSA-N 0 0 204.682 2.453 10 0 BEAERN CCC(=O)c1c(O)cc(OC)cc1OC ZINC000038293364 168254040 /nfs/dbraw/zinc/25/40/40/168254040.db2.gz MCSQGBIRRUFIFN-UHFFFAOYSA-N 0 0 210.229 2.002 10 0 BEAERN CCC(=O)c1cc2c(cc1OC)OCO2 ZINC000014818097 168254975 /nfs/dbraw/zinc/25/49/75/168254975.db2.gz XPHIRVUYIBXETG-UHFFFAOYSA-N 0 0 208.213 2.017 10 0 biogenic,in-vitro BEAERN CCC(=O)c1ccc2sc(=O)[nH]c2c1 ZINC000039652241 168257717 /nfs/dbraw/zinc/25/77/17/168257717.db2.gz IFCAJWJMGBXHFZ-UHFFFAOYSA-N 0 0 207.254 2.182 10 0 BEAERN CCC(=O)c1ccccc1OCCC(=O)N(C)C ZINC000037897988 168258588 /nfs/dbraw/zinc/25/85/88/168258588.db2.gz QVSFDZIQGIUVAJ-UHFFFAOYSA-N 0 0 249.310 2.136 10 0 BEAERN CCC(=O)c1ccccc1O[C@@H](C)C(=O)N(C)C ZINC000020306950 168259713 /nfs/dbraw/zinc/25/97/13/168259713.db2.gz DKTCAFGZJIRZND-JTQLQIEISA-N 0 0 249.310 2.135 10 0 BEAERN CCC(C)(C)C(=O)N1CC[C@H](O)CC12CCC2 ZINC000335056215 168263318 /nfs/dbraw/zinc/26/33/18/168263318.db2.gz AKWGFMGDNSQYQW-NSHDSACASA-N 0 0 239.359 2.329 10 0 BEAERN CCC(C)(C)C(=O)N[C@@]1(CO)CCC[C@@H](C)C1 ZINC000054403763 168268039 /nfs/dbraw/zinc/26/80/39/168268039.db2.gz VBTKZZOCZCVXTK-RISCZKNCSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)NC(=O)COc1cccc(O)c1 ZINC000049282183 168291901 /nfs/dbraw/zinc/29/19/01/168291901.db2.gz NDNINOQPPDMJCR-UHFFFAOYSA-N 0 0 237.299 2.076 10 0 BEAERN CCC(C)(C)NC(=O)c1cc(F)c(N)c(F)c1 ZINC000063004557 168296225 /nfs/dbraw/zinc/29/62/25/168296225.db2.gz IHVQYCGNQQWUHF-UHFFFAOYSA-N 0 0 242.269 2.465 10 0 BEAERN CCC(C)(C)Nc1nc(Cl)nc(OC)n1 ZINC000061514513 168302753 /nfs/dbraw/zinc/30/27/53/168302753.db2.gz BCIUUBBBPZHFLO-UHFFFAOYSA-N 0 0 230.699 2.134 10 0 BEAERN CCC(C)(C)Nc1cc2c(cc1N)OCC(=O)N2 ZINC000035452989 168303316 /nfs/dbraw/zinc/30/33/16/168303316.db2.gz SVNYZDMZEOTJNA-UHFFFAOYSA-N 0 0 249.314 2.200 10 0 BEAERN CCC(C)(CC)NC(=O)N[C@@H](C)CCOC ZINC000121142282 168308192 /nfs/dbraw/zinc/30/81/92/168308192.db2.gz JNVQUGOISVJZEO-JTQLQIEISA-N 0 0 230.352 2.289 10 0 BEAERN CC(=O)N1CCCOC[C@@H]1c1ccc(F)cc1 ZINC000616648277 411411293 /nfs/dbraw/zinc/41/12/93/411411293.db2.gz KNKIQOPKJGWASA-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cc[nH]n1 ZINC000616683728 411414987 /nfs/dbraw/zinc/41/49/87/411414987.db2.gz QNBRIMMIIVFIGU-LBPRGKRZSA-N 0 0 214.272 2.013 10 0 BEAERN Cc1cc(C(C)C)nc(NC2CCOCC2)n1 ZINC000122370092 411430577 /nfs/dbraw/zinc/43/05/77/411430577.db2.gz MVXYUKATRUPUGH-UHFFFAOYSA-N 0 0 235.331 2.499 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H](CO)C(C)C)n1 ZINC000122489572 411434246 /nfs/dbraw/zinc/43/42/46/411434246.db2.gz LARCIGIVCCPXAT-GFCCVEGCSA-N 0 0 237.347 2.337 10 0 BEAERN Clc1nc(Cl)c2c(n1)OC1(CC1)CO2 ZINC000222820295 411445259 /nfs/dbraw/zinc/44/52/59/411445259.db2.gz NULRUIQEPLZQOC-UHFFFAOYSA-N 0 0 233.054 2.087 10 0 BEAERN CCN(c1c(N)c(C)nn1C)c1ccccc1 ZINC000036748933 169944036 /nfs/dbraw/zinc/94/40/36/169944036.db2.gz YNIIVRGICCNJKV-UHFFFAOYSA-N 0 0 230.315 2.469 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)C/C=C\c1ccccc1 ZINC000217716554 411518925 /nfs/dbraw/zinc/51/89/25/411518925.db2.gz SBNDXVUDCFWPBM-SZNGSJQDSA-N 0 0 233.311 2.495 10 0 BEAERN CCN1N=C(C)CC(c2cc(C)[nH]c2C)=N1 ZINC000045806307 170040615 /nfs/dbraw/zinc/04/06/15/170040615.db2.gz CWFGHBAKVGUCMJ-UHFFFAOYSA-N 0 0 218.304 2.437 10 0 BEAERN CCNC(=O)/C=C1\CCc2c1cc(F)cc2F ZINC000027406542 170042509 /nfs/dbraw/zinc/04/25/09/170042509.db2.gz LTKGPLMKKNACRX-VMPITWQZSA-N 0 0 237.249 2.431 10 0 BEAERN CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109079852 170092742 /nfs/dbraw/zinc/09/27/42/170092742.db2.gz IBXQXQKPDSUISM-RKDXNWHRSA-N 0 0 225.238 2.204 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(C)c(F)c1 ZINC000020308798 170096713 /nfs/dbraw/zinc/09/67/13/170096713.db2.gz BZQSYKBAHRLKHK-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(Cl)cc1F ZINC000042212244 170096874 /nfs/dbraw/zinc/09/68/74/170096874.db2.gz BSEXJTNPAQOFNZ-ZETCQYMHSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(F)c(F)cc1F ZINC000061094087 170096906 /nfs/dbraw/zinc/09/69/06/170096906.db2.gz HXRISUTYLBRFHA-LURJTMIESA-N 0 0 246.232 2.040 10 0 BEAERN CCNC(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000050697575 170101551 /nfs/dbraw/zinc/10/15/51/170101551.db2.gz MTKZZMWTECMVMW-UHFFFAOYSA-N 0 0 232.205 2.037 10 0 BEAERN CCNC(=O)c1ccc(OCC(C)C)c(N)c1 ZINC000036292695 170102926 /nfs/dbraw/zinc/10/29/26/170102926.db2.gz FKSZJSFQCWTLEY-UHFFFAOYSA-N 0 0 236.315 2.053 10 0 BEAERN CCNCc1nc(C2(c3ccccc3)CC2)no1 ZINC000062780254 170132157 /nfs/dbraw/zinc/13/21/57/170132157.db2.gz ZWPGMNOIBRQILZ-UHFFFAOYSA-N 0 0 243.310 2.259 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1cc(C)sc1C ZINC000049687648 170138065 /nfs/dbraw/zinc/13/80/65/170138065.db2.gz GBXOYSNKIHZWJM-SECBINFHSA-N 0 0 213.302 2.100 10 0 BEAERN CCN[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000037446939 170138371 /nfs/dbraw/zinc/13/83/71/170138371.db2.gz YPFIEWWSZOJQPX-SNVBAGLBSA-N 0 0 227.691 2.164 10 0 BEAERN CCN[C@@H](c1ccoc1C)c1nccn1C ZINC000041048657 170149639 /nfs/dbraw/zinc/14/96/39/170149639.db2.gz NNFDPBLHDLVIFB-NSHDSACASA-N 0 0 219.288 2.020 10 0 BEAERN CC[NH2+][C@@H]1c2cc(F)cc(F)c2O[C@H]1C ZINC000043633998 170155493 /nfs/dbraw/zinc/15/54/93/170155493.db2.gz ROERELUNIAYFDG-WKEGUHRASA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@H]1c2cc(F)cc(F)c2O[C@@H]1C ZINC000043633995 170169533 /nfs/dbraw/zinc/16/95/33/170169533.db2.gz ROERELUNIAYFDG-LHLIQPBNSA-N 0 0 213.227 2.396 10 0 BEAERN CCNc1cc(C(F)(F)F)cnc1N ZINC000020278242 170171234 /nfs/dbraw/zinc/17/12/34/170171234.db2.gz OMZBTDNSHGJTBS-UHFFFAOYSA-N 0 0 205.183 2.114 10 0 BEAERN CCNc1cc(C(=O)N(C)CC(C)C)ccn1 ZINC000050747842 170171612 /nfs/dbraw/zinc/17/16/12/170171612.db2.gz OUTFAYDDJRMSPF-UHFFFAOYSA-N 0 0 235.331 2.241 10 0 BEAERN CCNc1ccc(-c2ccc(O)c(OC)c2)nn1 ZINC000054931173 170172970 /nfs/dbraw/zinc/17/29/70/170172970.db2.gz ZVYGDZRHEGLJJQ-UHFFFAOYSA-N 0 0 245.282 2.290 10 0 BEAERN CCNc1cccc(-c2n[nH]c(C)n2)c1 ZINC000037781547 170174879 /nfs/dbraw/zinc/17/48/79/170174879.db2.gz PBFIDVWNAOQAHS-UHFFFAOYSA-N 0 0 202.261 2.212 10 0 BEAERN CCNc1nc(CSC)nc2c1CCC2 ZINC000054497173 170175934 /nfs/dbraw/zinc/17/59/34/170175934.db2.gz MUZBZHVYQXRVMV-UHFFFAOYSA-N 0 0 223.345 2.260 10 0 BEAERN CCNc1nc(Cc2ccccc2C)no1 ZINC000053750276 170176398 /nfs/dbraw/zinc/17/63/98/170176398.db2.gz VHECRSOXMRBKJC-UHFFFAOYSA-N 0 0 217.272 2.401 10 0 BEAERN CCNc1nc(N)c(C(=O)c2ccccc2)s1 ZINC000000027064 170176824 /nfs/dbraw/zinc/17/68/24/170176824.db2.gz DOPTXFSKHKVWMK-UHFFFAOYSA-N 0 0 247.323 2.388 10 0 BEAERN CCNc1ncnc(Nc2ccccc2)c1N ZINC000040707361 170178343 /nfs/dbraw/zinc/17/83/43/170178343.db2.gz IDPBIFPBZAZXRW-UHFFFAOYSA-N 0 0 229.287 2.234 10 0 BEAERN CCOC(=N)[C@](C)(O)c1cccc(C)c1 ZINC000039105567 170180064 /nfs/dbraw/zinc/18/00/64/170180064.db2.gz MFZHJJXRKOWQTR-GFCCVEGCSA-N 0 0 207.273 2.216 10 0 BEAERN CCOC(=N)[C@@H](O)c1cc(Cl)ccc1OC ZINC000039392955 170180418 /nfs/dbraw/zinc/18/04/18/170180418.db2.gz YHECVHYFKOQRAS-JTQLQIEISA-N 0 0 243.690 2.396 10 0 BEAERN CCOC(=N)[C@H](O)c1cc(F)ccc1OCC ZINC000034102023 170180462 /nfs/dbraw/zinc/18/04/62/170180462.db2.gz ADXVLXXNRHOWQM-LLVKDONJSA-N 0 0 241.262 2.272 10 0 BEAERN CCOC(=O)C=C(C)NCCc1ccccc1 ZINC000005178097 170182265 /nfs/dbraw/zinc/18/22/65/170182265.db2.gz VVQDCZPXHJVNGV-QXMHVHEDSA-N 0 0 233.311 2.286 10 0 BEAERN CCOC(=O)C(Cl)(Cl)Br ZINC000078018811 170188297 /nfs/dbraw/zinc/18/82/97/170188297.db2.gz MIWOKTZWOKIZQH-UHFFFAOYSA-N 0 0 235.892 2.076 10 0 BEAERN CCOC(=O)CCCC[C@@H]1COC(C)(C)O1 ZINC000008700013 170199815 /nfs/dbraw/zinc/19/98/15/170199815.db2.gz KWHASROAESAUCA-SNVBAGLBSA-N 0 0 230.304 2.261 10 0 BEAERN CCOC(=O)CCCNc1ccnc(C2CC2)n1 ZINC000110127643 170202839 /nfs/dbraw/zinc/20/28/39/170202839.db2.gz CGTYHQHXUVEVEW-UHFFFAOYSA-N 0 0 249.314 2.109 10 0 BEAERN CCOC(=O)CCNc1ccc(OC)c(C)c1 ZINC000049530181 170210390 /nfs/dbraw/zinc/21/03/90/170210390.db2.gz DIIJPYUESYNGJZ-UHFFFAOYSA-N 0 0 237.299 2.369 10 0 BEAERN CCOC(=O)CCOCCOc1ccccc1 ZINC000036985605 170210576 /nfs/dbraw/zinc/21/05/76/170210576.db2.gz XSYXIYMRHFFBKV-UHFFFAOYSA-N 0 0 238.283 2.035 10 0 BEAERN CCOC(=O)CCn1cc(C=O)c2ccccc21 ZINC000033509210 170212658 /nfs/dbraw/zinc/21/26/58/170212658.db2.gz WDSJLHOCUPDPOJ-UHFFFAOYSA-N 0 0 245.278 2.407 10 0 BEAERN CCOC(=O)CNCc1cc(F)cc(Cl)c1 ZINC000083374586 170225207 /nfs/dbraw/zinc/22/52/07/170225207.db2.gz ODZAATWCIFCCPI-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CNc1cccc(SC)c1 ZINC000020039075 170227999 /nfs/dbraw/zinc/22/79/99/170227999.db2.gz KNIFOCWFLBSVTM-UHFFFAOYSA-N 0 0 225.313 2.384 10 0 BEAERN CCOC(=O)Cc1cc(C)c(Cl)cn1 ZINC000095763979 170235166 /nfs/dbraw/zinc/23/51/66/170235166.db2.gz RQYUXVQYAGFZGK-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1cnc(Cl)c(C)c1 ZINC000095768931 170235856 /nfs/dbraw/zinc/23/58/56/170235856.db2.gz IWQTXLDFTNRGGB-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1nccc(C)c1Cl ZINC000095763969 170237012 /nfs/dbraw/zinc/23/70/12/170237012.db2.gz YWPIRUNFZHWSDH-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1nc2cc(F)ccc2o1 ZINC000075883722 170237296 /nfs/dbraw/zinc/23/72/96/170237296.db2.gz NTOFQBPRNKDSTC-UHFFFAOYSA-N 0 0 223.203 2.073 10 0 BEAERN CCOC(=O)Cc1nc2cccc(F)c2o1 ZINC000095756233 170237308 /nfs/dbraw/zinc/23/73/08/170237308.db2.gz OOCDLKGXQYJRLL-UHFFFAOYSA-N 0 0 223.203 2.073 10 0 BEAERN CCOC(=O)N(C)[C@H](C)c1cccc(N)c1 ZINC000036743778 170237716 /nfs/dbraw/zinc/23/77/16/170237716.db2.gz UBIYKBCDARFCRI-SECBINFHSA-N 0 0 222.288 2.418 10 0 BEAERN CCOC(=O)N(C)Cc1ccccc1F ZINC000070237230 170237953 /nfs/dbraw/zinc/23/79/53/170237953.db2.gz SJHZHBBVTVWICK-UHFFFAOYSA-N 0 0 211.236 2.414 10 0 BEAERN CCOC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000005650595 170239077 /nfs/dbraw/zinc/23/90/77/170239077.db2.gz YDYRNUOFYGNGMF-UHFFFAOYSA-N 0 0 249.310 2.127 10 0 BEAERN CCOC(=O)N[C@H]1CCc2ccccc21 ZINC000001702812 170243321 /nfs/dbraw/zinc/24/33/21/170243321.db2.gz FNMGJJFCJWYKKZ-NSHDSACASA-N 0 0 205.257 2.420 10 0 BEAERN CCOC(=O)Nc1ccc(Cl)c(N)c1 ZINC000019264332 170243736 /nfs/dbraw/zinc/24/37/36/170243736.db2.gz SURYDDBNHQPEHT-UHFFFAOYSA-N 0 0 214.652 2.491 10 0 BEAERN CCOC(=O)[C@@H](C)Nc1ccccc1F ZINC000037963186 170248119 /nfs/dbraw/zinc/24/81/19/170248119.db2.gz GHCCOSUIBYVQBA-MRVPVSSYSA-N 0 0 211.236 2.189 10 0 BEAERN CCOC(=O)[C@@H](N)c1c[nH]c2ccc(C)cc21 ZINC000091691746 170253428 /nfs/dbraw/zinc/25/34/28/170253428.db2.gz AQGQVTZBSWCCQQ-LBPRGKRZSA-N 0 0 232.283 2.039 10 0 BEAERN CCOC(=O)[C@@H](N)c1ccc(F)c(Cl)c1 ZINC000076134585 170254885 /nfs/dbraw/zinc/25/48/85/170254885.db2.gz ILPVIVDXKNXLGF-VIFPVBQESA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)[C@@H](O)Cc1c(C)cc(C)cc1C ZINC000076164948 170255323 /nfs/dbraw/zinc/25/53/23/170255323.db2.gz KBNPSRAQAUGGDY-ZDUSSCGKSA-N 0 0 236.311 2.078 10 0 BEAERN CCOC(=O)[C@@H]1CSc2ccccc2O1 ZINC000147795976 170259808 /nfs/dbraw/zinc/25/98/08/170259808.db2.gz IZHRLFUYIQORDV-VIFPVBQESA-N 0 0 224.281 2.103 10 0 BEAERN CCOC(=O)[C@H](C)N(C)c1cccc(C)c1 ZINC000255186948 170266799 /nfs/dbraw/zinc/26/67/99/170266799.db2.gz AEXMSWQKIUVAPS-NSHDSACASA-N 0 0 221.300 2.383 10 0 BEAERN CCOC(=O)[C@H](C)NCC1CCC(C)CC1 ZINC000063145201 170267809 /nfs/dbraw/zinc/26/78/09/170267809.db2.gz IAUDQGXCFQZXOU-CXQJBGSLSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)[C@H](CC)Nc1ccc(OC)cc1 ZINC000035837610 170272337 /nfs/dbraw/zinc/27/23/37/170272337.db2.gz IZQFFWKWWHBFLN-LBPRGKRZSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)[C@H](Cc1ccccc1)OCC ZINC000095931079 170274025 /nfs/dbraw/zinc/27/40/25/170274025.db2.gz VBKVLMSKNRQUPD-LBPRGKRZSA-N 0 0 222.284 2.197 10 0 BEAERN CCOC(=O)[C@H](Nc1ccccc1)[C@H]1CCOC1 ZINC000037954279 170277656 /nfs/dbraw/zinc/27/76/56/170277656.db2.gz YFPFDNUHRDJBPM-WCQYABFASA-N 0 0 249.310 2.067 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)c2ccc(F)cc21 ZINC000038221810 170278957 /nfs/dbraw/zinc/27/89/57/170278957.db2.gz ZWPOQZRUABVBAA-JTQLQIEISA-N 0 0 236.242 2.449 10 0 BEAERN CCOC(=O)[C@](C)(CC(C)(C)OC)NC(C)C ZINC000037446058 170282870 /nfs/dbraw/zinc/28/28/70/170282870.db2.gz LXZYIYGKMNETJR-ZDUSSCGKSA-N 0 0 245.363 2.121 10 0 BEAERN CCOC(=O)[C@](C)(N)c1ccc(C)c(C)c1 ZINC000037459918 170283949 /nfs/dbraw/zinc/28/39/49/170283949.db2.gz QRXFAOZLOILMJM-CYBMUJFWSA-N 0 0 221.300 2.040 10 0 BEAERN CCOC(=O)[C@](C)(CCc1ccccc1)NC ZINC000037458698 170284387 /nfs/dbraw/zinc/28/43/87/170284387.db2.gz LKEXKXFCOWUNMU-AWEZNQCLSA-N 0 0 235.327 2.160 10 0 BEAERN CCOC(=O)[C@]1(NC)C[C@@H](C)CC(C)(C)C1 ZINC000037458722 170285553 /nfs/dbraw/zinc/28/55/53/170285553.db2.gz IJWLBVPLEGTGIT-GWCFXTLKSA-N 0 0 227.348 2.354 10 0 BEAERN CCOC(=O)c1c(C)c(Cl)cc(OC)c1N ZINC000037475581 170287430 /nfs/dbraw/zinc/28/74/30/170287430.db2.gz ZWMFFUPRZZRUCR-UHFFFAOYSA-N 0 0 243.690 2.416 10 0 BEAERN CCOC(=O)c1c(Cl)c(CC)nn1CC ZINC000014985139 170288353 /nfs/dbraw/zinc/28/83/53/170288353.db2.gz HULCKBIOFNFQNF-UHFFFAOYSA-N 0 0 230.695 2.296 10 0 BEAERN CCOC(=O)C1C(C)=NN(c2ccccc2)C1=O ZINC000100904762 170288431 /nfs/dbraw/zinc/28/84/31/170288431.db2.gz VQYSTHNGNYGCGO-UHFFFAOYSA-N 0 0 246.266 2.063 10 0 BEAERN CCOC(=O)c1c(C)c(CC)sc1N ZINC000022201895 170288966 /nfs/dbraw/zinc/28/89/66/170288966.db2.gz JZJBYEQVEQDABJ-UHFFFAOYSA-N 0 0 213.302 2.378 10 0 BEAERN CCOC(=O)c1c[nH]c(Br)c1C ZINC000088190280 170289546 /nfs/dbraw/zinc/28/95/46/170289546.db2.gz CUKUDVGMDUOWMG-UHFFFAOYSA-N 0 0 232.077 2.262 10 0 BEAERN CCOC(=O)c1cc(F)nc(Cl)c1 ZINC000047203092 170292266 /nfs/dbraw/zinc/29/22/66/170292266.db2.gz PHBISUKZTWAQAX-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1cc(Cl)c(F)cc1O ZINC000095616554 170292397 /nfs/dbraw/zinc/29/23/97/170292397.db2.gz DRQKQYMKJISYLQ-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCOC(=O)c1cc(N)ccc1SC ZINC000041046233 170292551 /nfs/dbraw/zinc/29/25/51/170292551.db2.gz OFDHAWYTPYRQSF-UHFFFAOYSA-N 0 0 211.286 2.167 10 0 BEAERN CCOC(=O)c1cc(F)cnc1Br ZINC000047203026 170292569 /nfs/dbraw/zinc/29/25/69/170292569.db2.gz RXJHVHTVSLIDJC-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1cc2cc(OCC)c[nH]c-2n1 ZINC000095937162 170293819 /nfs/dbraw/zinc/29/38/19/170293819.db2.gz YQEBFRGISZFSJW-UHFFFAOYSA-N 0 0 234.255 2.138 10 0 BEAERN CCOC(=O)c1cc2cc(C)ccc2oc1=O ZINC000024863051 170294064 /nfs/dbraw/zinc/29/40/64/170294064.db2.gz KSWKCZHIAJEFGQ-UHFFFAOYSA-N 0 0 232.235 2.278 10 0 BEAERN CCOC(=O)c1ccc(-c2cc(=O)cc[nH]2)cc1 ZINC000065356026 170294662 /nfs/dbraw/zinc/29/46/62/170294662.db2.gz VIQKXZBFXCZZJU-UHFFFAOYSA-N 0 0 243.262 2.219 10 0 BEAERN CCOC(=O)c1ccc(CCCCO)cc1 ZINC000085224116 170295655 /nfs/dbraw/zinc/29/56/55/170295655.db2.gz DEAHZHUWDRVSBC-UHFFFAOYSA-N 0 0 222.284 2.178 10 0 BEAERN CCOC(=O)c1ccc(N[C@@H]2C[C@H]2CC)nc1 ZINC000227014026 170297175 /nfs/dbraw/zinc/29/71/75/170297175.db2.gz YTIRNYSGVLGUIS-MWLCHTKSSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1cccc([C@H](N)C(F)(F)F)c1 ZINC000072190808 170299055 /nfs/dbraw/zinc/29/90/55/170299055.db2.gz KVKJDLKFMWYIHC-VIFPVBQESA-N 0 0 247.216 2.425 10 0 BEAERN CCOC(=O)c1cccc2[nH]c(=S)[nH]c21 ZINC000075952233 170299406 /nfs/dbraw/zinc/29/94/06/170299406.db2.gz KYZODOCAQSJVEE-UHFFFAOYSA-N 0 0 222.269 2.402 10 0 BEAERN CCOC(=O)c1c[nH]nc1C(C)(C)CC ZINC000071980894 170300586 /nfs/dbraw/zinc/30/05/86/170300586.db2.gz MOQGQBQNJKCTMU-UHFFFAOYSA-N 0 0 210.277 2.274 10 0 BEAERN CCOC(=O)c1ccnc(F)c1Cl ZINC000047203094 170300823 /nfs/dbraw/zinc/30/08/23/170300823.db2.gz QJGSJQZHUXWYOY-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1cn2cc(Cl)sc2n1 ZINC000034236293 170300938 /nfs/dbraw/zinc/30/09/38/170300938.db2.gz SPMSXVUMZJWCIY-UHFFFAOYSA-N 0 0 230.676 2.226 10 0 BEAERN CCOC(=O)c1cnc(OCC)nc1C(C)C ZINC000008700154 170301511 /nfs/dbraw/zinc/30/15/11/170301511.db2.gz XJLQSNSBSQCILK-UHFFFAOYSA-N 0 0 238.287 2.175 10 0 BEAERN CCOC(=O)c1noc(CC2CCCCC2)n1 ZINC000103920892 170309459 /nfs/dbraw/zinc/30/94/59/170309459.db2.gz BEKIQYGFNCWVES-UHFFFAOYSA-N 0 0 238.287 2.369 10 0 BEAERN CCOC(=O)c1noc2cc(OC)ccc21 ZINC000040434553 170309496 /nfs/dbraw/zinc/30/94/96/170309496.db2.gz VLXHPBNAZNALMW-UHFFFAOYSA-N 0 0 221.212 2.013 10 0 BEAERN CCOC(=O)c1oc2ccc(OC)cc2c1N ZINC000006386730 170310152 /nfs/dbraw/zinc/31/01/52/170310152.db2.gz ANMSLFWBZBWKNC-UHFFFAOYSA-N 0 0 235.239 2.200 10 0 BEAERN CCOC/C=C/c1cn2ccccc2n1 ZINC000089200888 170316726 /nfs/dbraw/zinc/31/67/26/170316726.db2.gz GHJUQRGMJBMTJQ-AATRIKPKSA-N 0 0 202.257 2.384 10 0 BEAERN CCOCCC(=O)Nc1ccc(Cl)cc1N ZINC000022212145 170362690 /nfs/dbraw/zinc/36/26/90/170362690.db2.gz TWZKTEKZMPHVIY-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN CCOCCCNc1nc(C)nc(C)c1F ZINC000309496547 170383698 /nfs/dbraw/zinc/38/36/98/170383698.db2.gz YNCYKFGQOYBJNA-UHFFFAOYSA-N 0 0 227.283 2.071 10 0 BEAERN CCOCCN(CC)C(=O)N[C@H](C)C(C)C ZINC000107825193 170392626 /nfs/dbraw/zinc/39/26/26/170392626.db2.gz DFADOICVEZXLQC-LLVKDONJSA-N 0 0 230.352 2.099 10 0 BEAERN CCOCCN(CC)c1c(N)ccc(F)c1F ZINC000104186829 170395604 /nfs/dbraw/zinc/39/56/04/170395604.db2.gz SSUHLYMASAUSHY-UHFFFAOYSA-N 0 0 244.285 2.410 10 0 BEAERN CC(C)(C)c1cc(N[C@@H]2CCC[C@@H](O)C2)ncn1 ZINC000663394654 411647351 /nfs/dbraw/zinc/64/73/51/411647351.db2.gz YJIMBJKKABSAFN-GHMZBOCLSA-N 0 0 249.358 2.490 10 0 BEAERN CCOC[C@H](C)Nc1nc(C)nc(C)c1F ZINC000309921127 170448987 /nfs/dbraw/zinc/44/89/87/170448987.db2.gz SANHLLMRSATIQV-ZETCQYMHSA-N 0 0 227.283 2.069 10 0 BEAERN Cc1cn(C)nc1NCc1ncc(Cl)s1 ZINC000657813052 411604042 /nfs/dbraw/zinc/60/40/42/411604042.db2.gz YEBGBUSGICXJQW-UHFFFAOYSA-N 0 0 242.735 2.451 10 0 BEAERN CCCc1nccnc1NC[C@@](C)(O)C(C)C ZINC000663590211 411706334 /nfs/dbraw/zinc/70/63/34/411706334.db2.gz MQLSNFVGOVOZIW-CYBMUJFWSA-N 0 0 237.347 2.248 10 0 BEAERN CCO[C@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041773 170497321 /nfs/dbraw/zinc/49/73/21/170497321.db2.gz PVYAXYCTRCQXCD-GHMZBOCLSA-N 0 0 237.299 2.368 10 0 BEAERN CCCc1nccnc1NC[C@@H](C)C[C@H](C)O ZINC000663651082 411714355 /nfs/dbraw/zinc/71/43/55/411714355.db2.gz OUVWIBNXPGDVDM-QWRGUYRKSA-N 0 0 237.347 2.248 10 0 BEAERN CCCc1nccnc1NC[C@H]1CCCOC1 ZINC000663409640 411650982 /nfs/dbraw/zinc/65/09/82/411650982.db2.gz KSHKGWSWYFANPM-LLVKDONJSA-N 0 0 235.331 2.268 10 0 BEAERN CCCc1nccnc1NC[C@H]1CCC[C@@H]1O ZINC000663668542 411716923 /nfs/dbraw/zinc/71/69/23/411716923.db2.gz DAKJIWBJDRTTAK-PWSUYJOCSA-N 0 0 235.331 2.002 10 0 BEAERN CCOc1cc(NCc2ccccc2)nc(N)n1 ZINC000027737611 170526871 /nfs/dbraw/zinc/52/68/71/170526871.db2.gz FEVXRSSBHNWCCS-UHFFFAOYSA-N 0 0 244.298 2.070 10 0 BEAERN CCOc1ccc([C@@](C)([NH2+]C2CC2)C(=O)[O-])cc1 ZINC000037183359 170561018 /nfs/dbraw/zinc/56/10/18/170561018.db2.gz JBNMTLYNMLPGCU-CQSZACIVSA-N 0 0 249.310 2.137 10 0 BEAERN CCOc1ccc2oc(C(N)=S)cc2c1 ZINC000045929866 170570790 /nfs/dbraw/zinc/57/07/90/170570790.db2.gz WRVLFKNBIAWLFT-UHFFFAOYSA-N 0 0 221.281 2.466 10 0 BEAERN CCCc1nccnc1N1CCC[C@@H]([C@@H](C)O)C1 ZINC000663733557 411734703 /nfs/dbraw/zinc/73/47/03/411734703.db2.gz DXCYIKVDEJTSPL-VXGBXAGGSA-N 0 0 249.358 2.026 10 0 BEAERN CCOc1noc(C)c1-c1ccncc1 ZINC000034546160 170606740 /nfs/dbraw/zinc/60/67/40/170606740.db2.gz JHXZQLJYZJQTNK-UHFFFAOYSA-N 0 0 204.229 2.444 10 0 BEAERN CCCc1nccnc1NC[C@@H](CO)C(C)C ZINC000663913997 411772978 /nfs/dbraw/zinc/77/29/78/411772978.db2.gz XDNDYYXSWRNUNH-NSHDSACASA-N 0 0 237.347 2.106 10 0 BEAERN CCS[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000019869884 170647014 /nfs/dbraw/zinc/64/70/14/170647014.db2.gz CMQRCRZLKKOPHJ-ZETCQYMHSA-N 0 0 242.319 2.488 10 0 BEAERN CCSc1ncc(Cl)c(C(=O)OC)n1 ZINC000027666253 170658084 /nfs/dbraw/zinc/65/80/84/170658084.db2.gz HTVRENQIDBOOKR-UHFFFAOYSA-N 0 0 232.692 2.029 10 0 BEAERN CC[C@@H](C(N)=O)n1cnc2cc(C)c(C)cc21 ZINC000061679535 170675785 /nfs/dbraw/zinc/67/57/85/170675785.db2.gz XYDOPUVOKVBLOS-NSHDSACASA-N 0 0 231.299 2.090 10 0 BEAERN CC[C@@H](C)NC(=O)COc1ccc(NC)cc1 ZINC000038057117 170740618 /nfs/dbraw/zinc/74/06/18/170740618.db2.gz NOEZNBSZNLROFX-SNVBAGLBSA-N 0 0 236.315 2.022 10 0 BEAERN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1O ZINC000036896783 170746688 /nfs/dbraw/zinc/74/66/88/170746688.db2.gz GAGXPHRXJFPLOO-ZJUUUORDSA-N 0 0 237.299 2.074 10 0 BEAERN CC[C@@H](C)Nc1cccc(C(=O)NC)c1 ZINC000020124718 170760016 /nfs/dbraw/zinc/76/00/16/170760016.db2.gz ZJMYEWOYPZEQLL-SECBINFHSA-N 0 0 206.289 2.257 10 0 BEAERN C[C@@H](O)CCNc1cc(F)cc(F)c1F ZINC000133614623 411863273 /nfs/dbraw/zinc/86/32/73/411863273.db2.gz NSYHEYXANOWETJ-ZCFIWIBFSA-N 0 0 219.206 2.287 10 0 BEAERN CC[C@@H](C)[C@@H](C)N1C(=O)c2ccc(N)cc2C1=O ZINC000042556836 170770759 /nfs/dbraw/zinc/77/07/59/170770759.db2.gz NDVUMAWMFQNXNX-RKDXNWHRSA-N 0 0 246.310 2.299 10 0 BEAERN CC[C@@H](C)[C@@H](C)NC(=O)c1cnn2c1CCCC2 ZINC000126430464 170773030 /nfs/dbraw/zinc/77/30/30/170773030.db2.gz OAHIAGMRCWTTLX-GHMZBOCLSA-N 0 0 249.358 2.384 10 0 BEAERN Nc1cccnc1C(=O)NCCC1=CCCCC1 ZINC000132330221 411898220 /nfs/dbraw/zinc/89/82/20/411898220.db2.gz YXGHARWKIZPEGN-UHFFFAOYSA-N 0 0 245.326 2.284 10 0 BEAERN CC[C@@H](C)[C@H](C)N1C(=O)c2ccc(N)cc2C1=O ZINC000042556841 170788459 /nfs/dbraw/zinc/78/84/59/170788459.db2.gz NDVUMAWMFQNXNX-BDAKNGLRSA-N 0 0 246.310 2.299 10 0 BEAERN CC[C@@H](NC(=O)Cc1cccc(O)c1)C(C)C ZINC000042593665 170877756 /nfs/dbraw/zinc/87/77/56/170877756.db2.gz NXSWXNFVCXBXFK-CYBMUJFWSA-N 0 0 235.327 2.486 10 0 BEAERN CC[C@@H](NC(=O)c1cc(N)c[nH]1)c1ccccc1 ZINC000051626007 170884354 /nfs/dbraw/zinc/88/43/54/170884354.db2.gz LMWWUTBBEWSVCH-GFCCVEGCSA-N 0 0 243.310 2.478 10 0 BEAERN CC[C@@H](NC(=O)c1sc(N)nc1C)C(C)C ZINC000055175669 170887701 /nfs/dbraw/zinc/88/77/01/170887701.db2.gz TYRUNGBBAZMSPU-MRVPVSSYSA-N 0 0 241.360 2.198 10 0 BEAERN CCCCN(C(=O)c1ncccc1N)C1CC1 ZINC000132499374 412009890 /nfs/dbraw/zinc/00/98/90/412009890.db2.gz LXTYVAUGYSGPCO-UHFFFAOYSA-N 0 0 233.315 2.069 10 0 BEAERN CC[C@@H](O)c1ccc(OCc2ncon2)cc1 ZINC000035628246 170938570 /nfs/dbraw/zinc/93/85/70/170938570.db2.gz YATXCIYJVPJPBH-LLVKDONJSA-N 0 0 234.255 2.092 10 0 BEAERN CC[C@@H](OC)c1noc([C@H]2CCCOCC2)n1 ZINC000329665908 170945434 /nfs/dbraw/zinc/94/54/34/170945434.db2.gz KRYBAWSDCIYLMS-VHSXEESVSA-N 0 0 240.303 2.451 10 0 BEAERN CCC[C@@H]([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000662206688 412025596 /nfs/dbraw/zinc/02/55/96/412025596.db2.gz VZOLFUOLAAHSTI-LLVKDONJSA-N 0 0 213.321 2.410 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000662212376 412027675 /nfs/dbraw/zinc/02/76/75/412027675.db2.gz OVLKGXGFBJXNRB-DCAQKATOSA-N 0 0 213.321 2.074 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000662212380 412028257 /nfs/dbraw/zinc/02/82/57/412028257.db2.gz OVLKGXGFBJXNRB-VWYCJHECSA-N 0 0 213.321 2.074 10 0 BEAERN CC[C@@H]1CCCN1c1nc2ccccn2c1CO ZINC000037914379 170984741 /nfs/dbraw/zinc/98/47/41/170984741.db2.gz LRBMORFYFGRHPU-LLVKDONJSA-N 0 0 245.326 2.205 10 0 BEAERN CC[C@@H]1CC[C@H](O)[C@H](OCC2CCOCC2)C1 ZINC000052156492 171057339 /nfs/dbraw/zinc/05/73/39/171057339.db2.gz BTZIXNUMTQNWOH-KWCYVHTRSA-N 0 0 242.359 2.369 10 0 BEAERN CC[C@@H]1CNc2cc3c(cc2C1)OCCO3 ZINC000011633255 171103147 /nfs/dbraw/zinc/10/31/47/171103147.db2.gz FTCCXOOKMCAUTF-VIFPVBQESA-N 0 0 219.284 2.452 10 0 BEAERN CC[C@@H]1CSC(NCc2nc(C)cs2)=[NH+]1 ZINC000049534309 171114280 /nfs/dbraw/zinc/11/42/80/171114280.db2.gz BKCPTGZMEGFTGP-MRVPVSSYSA-N 0 0 241.385 2.423 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1ncnc(Cl)c1NC ZINC000302542310 171124859 /nfs/dbraw/zinc/12/48/59/171124859.db2.gz IBFXNGXWLXVILM-RQJHMYQMSA-N 0 0 226.711 2.382 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nccnc1OC(C)C ZINC000302220070 171141815 /nfs/dbraw/zinc/14/18/15/171141815.db2.gz LVFVBXHGYSUYCU-NXEZZACHSA-N 0 0 221.304 2.474 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nc(C)nc(OC)c1C ZINC000302559499 171142536 /nfs/dbraw/zinc/14/25/36/171142536.db2.gz MLPWBZXKAYXVKK-NXEZZACHSA-N 0 0 221.304 2.312 10 0 BEAERN CC[C@@](C(=O)OC)(c1ccccc1)N(C)C ZINC000033506436 171161876 /nfs/dbraw/zinc/16/18/76/171161876.db2.gz FFMPNRLNKDYDJN-ZDUSSCGKSA-N 0 0 221.300 2.027 10 0 BEAERN CC[C@@]1(CCc2ccco2)COC(=O)N1 ZINC000039101344 171210751 /nfs/dbraw/zinc/21/07/51/171210751.db2.gz GGBLPCRBVLZXDB-LLVKDONJSA-N 0 0 209.245 2.101 10 0 BEAERN CC[C@H](C)C(=O)N(C(C)C)C1CCOCC1 ZINC000121656568 171246751 /nfs/dbraw/zinc/24/67/51/171246751.db2.gz AZSCCPRBCPNLDC-NSHDSACASA-N 0 0 227.348 2.449 10 0 BEAERN CC[C@H](C)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000191865218 171258013 /nfs/dbraw/zinc/25/80/13/171258013.db2.gz POQZMGNXGOMPNN-NWDGAFQWSA-N 0 0 249.358 2.172 10 0 BEAERN CC[C@H](C)CN(C)C(=O)c1sccc1N ZINC000040302881 171272439 /nfs/dbraw/zinc/27/24/39/171272439.db2.gz VUFHDZJAPDURGB-QMMMGPOBSA-N 0 0 226.345 2.448 10 0 BEAERN CC[C@H](C)C[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000058014057 171275719 /nfs/dbraw/zinc/27/57/19/171275719.db2.gz YASCTCLJTNZLPQ-VIFPVBQESA-N 0 0 236.315 2.449 10 0 BEAERN CC[C@H](C)CN(C)c1ccc(N)c2nonc21 ZINC000035675687 171275842 /nfs/dbraw/zinc/27/58/42/171275842.db2.gz JKSCRYIZTGUBOR-QMMMGPOBSA-N 0 0 234.303 2.287 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(N)cc1F ZINC000054466341 171283686 /nfs/dbraw/zinc/28/36/86/171283686.db2.gz DMCYTKYYFGAHOA-QMMMGPOBSA-N 0 0 224.279 2.184 10 0 BEAERN CC[C@H](C)Cn1nnnc1-c1ccc(N)c(C)c1 ZINC000054490778 171301464 /nfs/dbraw/zinc/30/14/64/171301464.db2.gz CBIQSQIZMMIXSV-VIFPVBQESA-N 0 0 245.330 2.277 10 0 BEAERN CC[C@H](C)NC(=O)/C=C/c1cccc(N)c1 ZINC000032013310 171321316 /nfs/dbraw/zinc/32/13/16/171321316.db2.gz QMJXVUCHJVABAA-JARNTUPDSA-N 0 0 218.300 2.197 10 0 BEAERN CC[C@H](C)NC(=O)Nc1cccc(N)c1 ZINC000019992444 171330728 /nfs/dbraw/zinc/33/07/28/171330728.db2.gz UTIFRLJMLYVSOP-QMMMGPOBSA-N 0 0 207.277 2.189 10 0 BEAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1ccccc1 ZINC000020364743 171331877 /nfs/dbraw/zinc/33/18/77/171331877.db2.gz HALLJFOJXQCMBW-WDEREUQCSA-N 0 0 220.316 2.402 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000038066547 171345145 /nfs/dbraw/zinc/34/51/45/171345145.db2.gz AKMJGRMDZUQDFV-TVQRCGJNSA-N 0 0 249.310 2.135 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccccc1OC ZINC000038066123 171347264 /nfs/dbraw/zinc/34/72/64/171347264.db2.gz WCOYILKVRBDWQS-CABZTGNLSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@H](C)N[C@@]1(C(=O)OC)CCc2ccccc21 ZINC000038067039 171347474 /nfs/dbraw/zinc/34/74/74/171347474.db2.gz VNRWUAFCHIMCOR-NHYWBVRUSA-N 0 0 247.338 2.389 10 0 BEAERN CC[C@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020095043 171349965 /nfs/dbraw/zinc/34/99/65/171349965.db2.gz ZSTLRDYYUNQQEE-ZETCQYMHSA-N 0 0 205.261 2.067 10 0 BEAERN CC[C@H](C)Nc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527111 171350207 /nfs/dbraw/zinc/35/02/07/171350207.db2.gz KPCXLAMUIWKUAO-QMMMGPOBSA-N 0 0 234.299 2.479 10 0 BEAERN CC[C@H](C)OCC(=O)Nc1ccc(C)c(N)c1 ZINC000048263966 171354701 /nfs/dbraw/zinc/35/47/01/171354701.db2.gz MUQBJOYPQOWJJB-JTQLQIEISA-N 0 0 236.315 2.331 10 0 BEAERN CC[C@H](C)OCC(=O)c1ccc2c(c1)OCO2 ZINC000048265134 171355653 /nfs/dbraw/zinc/35/56/53/171355653.db2.gz QWKODPUAXMSBKS-VIFPVBQESA-N 0 0 236.267 2.413 10 0 BEAERN CC[C@H](C)[C@H](C)Nc1nc(Cl)nc(OC)n1 ZINC000061514346 171390925 /nfs/dbraw/zinc/39/09/25/171390925.db2.gz QEKPVDLVNWRTOF-BQBZGAKWSA-N 0 0 244.726 2.380 10 0 BEAERN CC[C@H](Nc1ccc(=O)n(C)c1)C(C)C ZINC000037785624 171550269 /nfs/dbraw/zinc/55/02/69/171550269.db2.gz OUSJUWJQWHBMRD-NSHDSACASA-N 0 0 208.305 2.232 10 0 BEAERN CC[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1N ZINC000132754756 412256224 /nfs/dbraw/zinc/25/62/24/412256224.db2.gz RZYHDJNYGFEABL-NXEZZACHSA-N 0 0 235.331 2.218 10 0 BEAERN CC[C@H](O)c1c(C)nn(C[C@H]2CCCO2)c1C ZINC000054723594 171580876 /nfs/dbraw/zinc/58/08/76/171580876.db2.gz FGQCNDLNPQSBOZ-NEPJUHHUSA-N 0 0 238.331 2.122 10 0 BEAERN CC[C@H](O)c1ccc(O[C@H]2CCC[C@@H]2O)cc1 ZINC000037690703 171581506 /nfs/dbraw/zinc/58/15/06/171581506.db2.gz WCYHGWWLSCHLTO-IHRRRGAJSA-N 0 0 236.311 2.422 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1noc(C)n1 ZINC000123859061 171604916 /nfs/dbraw/zinc/60/49/16/171604916.db2.gz WFCHQJRVXKZQHU-JTQLQIEISA-N 0 0 237.303 2.173 10 0 BEAERN C[C@@H]1CCCCCN1C(=O)c1ncccc1N ZINC000132718024 412218843 /nfs/dbraw/zinc/21/88/43/412218843.db2.gz SDBGTCGUUQUSQQ-SNVBAGLBSA-N 0 0 233.315 2.069 10 0 BEAERN CC[C@H]1CCCN(C(=O)c2ncccc2N)CC1 ZINC000132724341 412227467 /nfs/dbraw/zinc/22/74/67/412227467.db2.gz NATUEZAJOBSIAL-NSHDSACASA-N 0 0 247.342 2.316 10 0 BEAERN C[C@@H]1CC(NC(=O)c2ncccc2N)C[C@@H](C)C1 ZINC000132737715 412237858 /nfs/dbraw/zinc/23/78/58/412237858.db2.gz AQFIGECGHSSZRN-UWVGGRQHSA-N 0 0 247.342 2.218 10 0 BEAERN CCC[C@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662630660 412250624 /nfs/dbraw/zinc/25/06/24/412250624.db2.gz HHNQUIDLXYEXEI-ZDUSSCGKSA-N 0 0 238.375 2.153 10 0 BEAERN CC1(C)CCCC[C@H]1NC(=O)c1ncccc1N ZINC000132795953 412290003 /nfs/dbraw/zinc/29/00/03/412290003.db2.gz HTRNQZVGCFJMPQ-LLVKDONJSA-N 0 0 247.342 2.362 10 0 BEAERN CC[S@](=O)Cc1ccc(Cl)c(N)c1 ZINC000040965685 171730777 /nfs/dbraw/zinc/73/07/77/171730777.db2.gz YVKJSCNJEGXWHE-CYBMUJFWSA-N 0 0 217.721 2.191 10 0 BEAERN CCc1c(C)c2ccc(NC(C)=O)cc2[nH]c1=O ZINC000049471963 171740178 /nfs/dbraw/zinc/74/01/78/171740178.db2.gz SFHZCLPIYHUYCB-UHFFFAOYSA-N 0 0 244.294 2.357 10 0 BEAERN CCc1c[nH]c(SCc2nccn2CC)n1 ZINC000129134019 171745886 /nfs/dbraw/zinc/74/58/86/171745886.db2.gz WMMNJTSGSMIPLQ-UHFFFAOYSA-N 0 0 236.344 2.481 10 0 BEAERN CCc1cc(N(C)C)nc2ccc(N)cc12 ZINC000039101838 171760353 /nfs/dbraw/zinc/76/03/53/171760353.db2.gz FHFWYDZTVWTBRX-UHFFFAOYSA-N 0 0 215.300 2.445 10 0 BEAERN CCc1cc2cc(OC)cc(OC)c2[nH]c1=NN ZINC000011634067 171776495 /nfs/dbraw/zinc/77/64/95/171776495.db2.gz JKOVSDTWCAIKNT-UHFFFAOYSA-N 0 0 247.298 2.100 10 0 BEAERN CCc1ccc(CN2C(=S)N=NC2C)cc1 ZINC000077366876 171816043 /nfs/dbraw/zinc/81/60/43/171816043.db2.gz UHKAPGVTORRJDD-UHFFFAOYSA-N 0 0 233.340 2.486 10 0 BEAERN CCc1ccc(S(=O)(=O)N[C@@H](C)CC)s1 ZINC000048659588 171827870 /nfs/dbraw/zinc/82/78/70/171827870.db2.gz QGCNBUUKOYTHOE-QMMMGPOBSA-N 0 0 247.385 2.387 10 0 BEAERN CCc1nc(N2CCCC2=O)c2cccc(C)n21 ZINC000005526042 171997982 /nfs/dbraw/zinc/99/79/82/171997982.db2.gz JWCKRUIYJUHFRA-UHFFFAOYSA-N 0 0 243.310 2.332 10 0 BEAERN CCc1nc(Oc2ccccc2)cc(=O)[nH]1 ZINC000039121194 172000191 /nfs/dbraw/zinc/00/01/91/172000191.db2.gz ULXBDHIERPKBMX-UHFFFAOYSA-N 0 0 216.240 2.125 10 0 BEAERN CCc1nc([C@@H](N)c2ccc(Cl)cc2)no1 ZINC000036762617 172004304 /nfs/dbraw/zinc/00/43/04/172004304.db2.gz FBFPCDSWQCJHSS-JTQLQIEISA-N 0 0 237.690 2.334 10 0 BEAERN CCc1nc([C@@H](N)c2ccc(SC)cc2)no1 ZINC000036762916 172005100 /nfs/dbraw/zinc/00/51/00/172005100.db2.gz AERMFLBVJFEDHS-NSHDSACASA-N 0 0 249.339 2.402 10 0 BEAERN CCc1nc([C@@](C)([NH3+])CCc2ccccc2)no1 ZINC000036763066 172005117 /nfs/dbraw/zinc/00/51/17/172005117.db2.gz UGEGJOKZHXHFFU-AWEZNQCLSA-N 0 0 245.326 2.439 10 0 BEAERN CCc1nc2c(o1)c(=O)n(C)c1ccccc21 ZINC000003958413 172009355 /nfs/dbraw/zinc/00/93/55/172009355.db2.gz BWGQAIVRPCNYSF-UHFFFAOYSA-N 0 0 228.251 2.242 10 0 BEAERN CCc1nc2cc(Cl)ccc2n1CCO ZINC000040400981 172011232 /nfs/dbraw/zinc/01/12/32/172011232.db2.gz FOQREXQDMFFBBX-UHFFFAOYSA-N 0 0 224.691 2.244 10 0 BEAERN CCc1nc2cc(NC(=O)CC(C)=O)ccc2o1 ZINC000037790742 172011976 /nfs/dbraw/zinc/01/19/76/172011976.db2.gz WSHMNWUPCZCPTB-UHFFFAOYSA-N 0 0 246.266 2.308 10 0 BEAERN CCc1nc2n(n1)CCC[C@H]2NCc1ccco1 ZINC000088757766 172014333 /nfs/dbraw/zinc/01/43/33/172014333.db2.gz USDHSUSKYBZFMR-LLVKDONJSA-N 0 0 246.314 2.058 10 0 BEAERN CCc1nccn1Cc1ccc(O)cc1 ZINC000082736119 172027005 /nfs/dbraw/zinc/02/70/05/172027005.db2.gz XVISFIKFJWGJFA-UHFFFAOYSA-N 0 0 202.257 2.199 10 0 BEAERN CCc1nnc(CN(C(C)C)C2CCC2)n1C ZINC000119742140 172047850 /nfs/dbraw/zinc/04/78/50/172047850.db2.gz QQAIFHBVJKEXBK-UHFFFAOYSA-N 0 0 236.363 2.140 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H](C)SC ZINC000133168012 172082465 /nfs/dbraw/zinc/08/24/65/172082465.db2.gz MFKKRLKFQZACKB-ZETCQYMHSA-N 0 0 228.317 2.235 10 0 BEAERN CCc1noc(-c2cc(F)c(F)cc2N)n1 ZINC000061563964 172070798 /nfs/dbraw/zinc/07/07/98/172070798.db2.gz YQVAGYBXAWFJMV-UHFFFAOYSA-N 0 0 225.198 2.159 10 0 BEAERN CCc1noc(-c2cc(N)ccc2F)n1 ZINC000037475098 172071699 /nfs/dbraw/zinc/07/16/99/172071699.db2.gz UTMWBXZVMDWDBZ-UHFFFAOYSA-N 0 0 207.208 2.020 10 0 BEAERN CCc1noc([C@@H](C)NC2(C(C)C)CC2)n1 ZINC000339518060 172088623 /nfs/dbraw/zinc/08/86/23/172088623.db2.gz YRGLXTSIONITCD-SECBINFHSA-N 0 0 223.320 2.471 10 0 BEAERN CCc1oc(C(=O)Nc2nncs2)cc1C ZINC000118987890 172110752 /nfs/dbraw/zinc/11/07/52/172110752.db2.gz BWLVYKONWMPEJU-UHFFFAOYSA-N 0 0 237.284 2.254 10 0 BEAERN CCc1sc(C=O)cc1Cn1cccn1 ZINC000002554520 172129554 /nfs/dbraw/zinc/12/95/54/172129554.db2.gz CNJRYQZFNCMWLW-UHFFFAOYSA-N 0 0 220.297 2.368 10 0 BEAERN CCn1c2ccccc2nc1-c1cnn(C)c1N ZINC000036895907 172130673 /nfs/dbraw/zinc/13/06/73/172130673.db2.gz VLIMWEFXLBZDFE-UHFFFAOYSA-N 0 0 241.298 2.039 10 0 BEAERN CCn1c2ccncc2nc1-c1ccc(N)nc1 ZINC000028462413 172130948 /nfs/dbraw/zinc/13/09/48/172130948.db2.gz TUAKXNGZNZAGQZ-UHFFFAOYSA-N 0 0 239.282 2.095 10 0 BEAERN CCn1c(C)nnc1-c1cc(C)ccc1N ZINC000042029894 172138341 /nfs/dbraw/zinc/13/83/41/172138341.db2.gz GFWBAFVRMYFQFN-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN CCn1cc(C2CCN(C(=O)C3CC3)CC2)cn1 ZINC000124021294 172158591 /nfs/dbraw/zinc/15/85/91/172158591.db2.gz QAFGLOJBQMSTKN-UHFFFAOYSA-N 0 0 247.342 2.019 10 0 BEAERN CCn1cc(CN(C)c2ccccc2N)cn1 ZINC000050540202 172161498 /nfs/dbraw/zinc/16/14/98/172161498.db2.gz WIXMTMMUPXCRLC-UHFFFAOYSA-N 0 0 230.315 2.122 10 0 BEAERN CCn1cc(COc2cc(F)ccc2N)cn1 ZINC000050530844 172176720 /nfs/dbraw/zinc/17/67/20/172176720.db2.gz DNYMDDXAIGNZBG-UHFFFAOYSA-N 0 0 235.262 2.203 10 0 BEAERN CCn1cc(C[C@H](O)c2cccc(F)c2)cn1 ZINC000050541961 172176765 /nfs/dbraw/zinc/17/67/65/172176765.db2.gz AEUUNCUXJGHERK-ZDUSSCGKSA-N 0 0 234.274 2.318 10 0 BEAERN CCn1cc(COc2ccc(N)cc2F)cn1 ZINC000020352194 172176778 /nfs/dbraw/zinc/17/67/78/172176778.db2.gz UGWARJNAGCJKQH-UHFFFAOYSA-N 0 0 235.262 2.203 10 0 BEAERN CCn1cc(N)cc1C(=O)N[C@H]1CCC[C@@H]1C ZINC000071205155 172177784 /nfs/dbraw/zinc/17/77/84/172177784.db2.gz VDOAQZQJYMDIMC-ONGXEEELSA-N 0 0 235.331 2.009 10 0 BEAERN CCn1cc(Nc2ccccc2C(N)=S)cn1 ZINC000035781764 172188075 /nfs/dbraw/zinc/18/80/75/172188075.db2.gz JWAZSOMPLDOTBF-UHFFFAOYSA-N 0 0 246.339 2.281 10 0 BEAERN CCn1cccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000085608589 172209689 /nfs/dbraw/zinc/20/96/89/172209689.db2.gz SNQABDQTSKTGMB-DGCLKSJQSA-N 0 0 222.332 2.165 10 0 BEAERN CCn1ccnc(NCC2CCCCC2)c1=O ZINC000061762755 172211325 /nfs/dbraw/zinc/21/13/25/172211325.db2.gz LONHHZHLOIWGLU-UHFFFAOYSA-N 0 0 235.331 2.255 10 0 BEAERN CCn1ccnc1CN(CC(F)(F)F)C1CC1 ZINC000119127593 172220482 /nfs/dbraw/zinc/22/04/82/172220482.db2.gz NLMXQLBEXVDGPM-UHFFFAOYSA-N 0 0 247.264 2.430 10 0 BEAERN CCn1ccnc1CNc1cccc(O)c1 ZINC000051921292 172225348 /nfs/dbraw/zinc/22/53/48/172225348.db2.gz WVNXJJVBBVOQBT-UHFFFAOYSA-N 0 0 217.272 2.221 10 0 BEAERN CCn1ccnc1Cc1ccccc1N ZINC000082734941 172225898 /nfs/dbraw/zinc/22/58/98/172225898.db2.gz PVBHTQNELJQHLM-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN CCn1ccnc1[C@H](N)c1ccccc1F ZINC000011735732 172228915 /nfs/dbraw/zinc/22/89/15/172228915.db2.gz WNFTYYPTXZPMSA-LLVKDONJSA-N 0 0 219.263 2.090 10 0 BEAERN CCn1ccnc1[C@@H](NC)c1ccc(C)o1 ZINC000041048704 172229451 /nfs/dbraw/zinc/22/94/51/172229451.db2.gz YZQFUFQLKCCSLC-NSHDSACASA-N 0 0 219.288 2.113 10 0 BEAERN CCn1ccnc1[C@@H](N)c1ccsc1 ZINC000041048469 172229827 /nfs/dbraw/zinc/22/98/27/172229827.db2.gz JBDKMOZKECWXMM-VIFPVBQESA-N 0 0 207.302 2.013 10 0 BEAERN CCn1cnc(-c2ccc(C)cc2)c1N ZINC000104900868 172230803 /nfs/dbraw/zinc/23/08/03/172230803.db2.gz NTHSRLGDTHACAP-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1cnnc1-c1ccc2c(c1)CCCN2 ZINC000054497734 172232800 /nfs/dbraw/zinc/23/28/00/172232800.db2.gz PYDQEPGGYLXBAV-UHFFFAOYSA-N 0 0 228.299 2.323 10 0 BEAERN CN(C(=O)c1ccc(N)nc1)c1ccccc1F ZINC000050708840 172340283 /nfs/dbraw/zinc/34/02/83/172340283.db2.gz VICCRWAYIIIJGK-UHFFFAOYSA-N 0 0 245.257 2.080 10 0 BEAERN CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCOC1 ZINC000106847746 172341626 /nfs/dbraw/zinc/34/16/26/172341626.db2.gz DQRNNDYGKDSJQH-GFCCVEGCSA-N 0 0 244.294 2.029 10 0 BEAERN CN(C(=O)c1ccco1)c1ccc(O)cc1 ZINC000020210537 172344689 /nfs/dbraw/zinc/34/46/89/172344689.db2.gz ZQRHNKKCRNGIMU-UHFFFAOYSA-N 0 0 217.224 2.262 10 0 BEAERN CN(C)/C=C1\C(=O)Nc2c1cccc2Cl ZINC000066123427 172351372 /nfs/dbraw/zinc/35/13/72/172351372.db2.gz USWWIUOAUXGJSF-VURMDHGXSA-N 0 0 222.675 2.195 10 0 BEAERN CN(C)C(=O)CCNc1cc(Cl)ccc1F ZINC000037897909 172360338 /nfs/dbraw/zinc/36/03/38/172360338.db2.gz XIHMCKROJSDJOV-UHFFFAOYSA-N 0 0 244.697 2.369 10 0 BEAERN CN(C)C(=O)CCNc1cccc2c1CCCC2 ZINC000037897802 172361464 /nfs/dbraw/zinc/36/14/64/172361464.db2.gz LDRXNFVLCVKTEZ-UHFFFAOYSA-N 0 0 246.354 2.456 10 0 BEAERN CN(C)C(=O)CSc1c(N)cccc1Cl ZINC000037204314 172374357 /nfs/dbraw/zinc/37/43/57/172374357.db2.gz NAMUHLAAIRUZQP-UHFFFAOYSA-N 0 0 244.747 2.103 10 0 BEAERN CN(C)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114435202 172378152 /nfs/dbraw/zinc/37/81/52/172378152.db2.gz MCPCTOMYMWSFQO-ZDUSSCGKSA-N 0 0 222.332 2.490 10 0 BEAERN CN(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000194469711 172378429 /nfs/dbraw/zinc/37/84/29/172378429.db2.gz BHBALWDZDXGRHI-UHFFFAOYSA-N 0 0 222.332 2.082 10 0 BEAERN CN(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000125405627 172381315 /nfs/dbraw/zinc/38/13/15/172381315.db2.gz OVCDKHSPBGULAS-GFCCVEGCSA-N 0 0 236.290 2.474 10 0 BEAERN CN(C)C(=O)Nc1cc(Cl)ccc1O ZINC000034265334 172381885 /nfs/dbraw/zinc/38/18/85/172381885.db2.gz WSIYLJMUHNJUGA-UHFFFAOYSA-N 0 0 214.652 2.139 10 0 BEAERN CN(C)C(=O)c1cc(C(C)(C)C)ccc1O ZINC000095711412 172387981 /nfs/dbraw/zinc/38/79/81/172387981.db2.gz CBJJVWCRUHESEZ-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1cc(O)cc(CC2CC2)c1 ZINC000095711673 172389184 /nfs/dbraw/zinc/38/91/84/172389184.db2.gz CADPDJWRTPRYLB-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1ccc(O)cc1CC1CC1 ZINC000095711704 172389410 /nfs/dbraw/zinc/38/94/10/172389410.db2.gz HOMBEGBMYBVHMM-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1ccc(F)cc1OC1CC1 ZINC000095725054 172390075 /nfs/dbraw/zinc/39/00/75/172390075.db2.gz ZCPWYEKVYOJIIO-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)c1ccc2cc(C=O)cnc2c1 ZINC000038301928 172562322 /nfs/dbraw/zinc/56/23/22/172562322.db2.gz ZGXRBOAJQJTINR-UHFFFAOYSA-N 0 0 200.241 2.113 10 0 BEAERN CN(CC(N)=O)c1ccccc1-c1ccccc1 ZINC000049333589 172638384 /nfs/dbraw/zinc/63/83/84/172638384.db2.gz DIUROWJRULFBOY-UHFFFAOYSA-N 0 0 240.306 2.275 10 0 BEAERN CN(CC1CCC1)C(=O)c1cccc(F)c1N ZINC000061487279 172655026 /nfs/dbraw/zinc/65/50/26/172655026.db2.gz XSSBSVZMNFBPHI-UHFFFAOYSA-N 0 0 236.290 2.280 10 0 BEAERN CN(C[C@H]1CCCO1)c1cc(N)cc(F)c1 ZINC000042463720 172830347 /nfs/dbraw/zinc/83/03/47/172830347.db2.gz KNNMZSSXAWUJIG-GFCCVEGCSA-N 0 0 224.279 2.023 10 0 BEAERN CN(Cc1ccccc1N)C(=O)C(C)(C)C ZINC000035360589 172877157 /nfs/dbraw/zinc/87/71/57/172877157.db2.gz GNWNFXRRFBXYSJ-UHFFFAOYSA-N 0 0 220.316 2.273 10 0 BEAERN CN1C(=O)CC[C@H]2c3ccccc3CC[C@@H]21 ZINC000040640505 172963272 /nfs/dbraw/zinc/96/32/72/172963272.db2.gz GREXNIICGIQJBG-STQMWFEESA-N 0 0 215.296 2.337 10 0 BEAERN CN1CCC(=O)c2cc(Br)oc2C1 ZINC000096985991 172979906 /nfs/dbraw/zinc/97/99/06/172979906.db2.gz FYYSJLFMVSYYBM-UHFFFAOYSA-N 0 0 244.088 2.060 10 0 BEAERN CN1CCCC[C@H]1c1cc(C=O)cnc1F ZINC000039110453 173010378 /nfs/dbraw/zinc/01/03/78/173010378.db2.gz GSLCNECQKZZUSS-NSHDSACASA-N 0 0 222.263 2.190 10 0 BEAERN C[N@@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000075906312 173022137 /nfs/dbraw/zinc/02/21/37/173022137.db2.gz RWQKPTJLFCESDB-GFCCVEGCSA-N 0 0 219.284 2.194 10 0 BEAERN CN1CCCc2oc(Br)cc2C1 ZINC000082348147 173061948 /nfs/dbraw/zinc/06/19/48/173061948.db2.gz QAQBVBOZVACZCL-UHFFFAOYSA-N 0 0 230.105 2.420 10 0 BEAERN CN1CCc2cc(Br)c(N)cc21 ZINC000082359372 173170300 /nfs/dbraw/zinc/17/03/00/173170300.db2.gz KBHLDYCNSPFCOC-UHFFFAOYSA-N 0 0 227.105 2.024 10 0 BEAERN CN1Cc2c(Br)sc(C=O)c2C1 ZINC000096983930 173199614 /nfs/dbraw/zinc/19/96/14/173199614.db2.gz PPOKYQJVKMORKN-UHFFFAOYSA-N 0 0 246.129 2.269 10 0 BEAERN CNC(=O)/C=C1\CCc2c1cc(F)cc2C ZINC000027413811 173211091 /nfs/dbraw/zinc/21/10/91/173211091.db2.gz WJJUKHNARJXTLH-RMKNXTFCSA-N 0 0 219.259 2.210 10 0 BEAERN CNC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156726347 173278528 /nfs/dbraw/zinc/27/85/28/173278528.db2.gz QSLWXYIXCCAODI-AWEZNQCLSA-N 0 0 246.354 2.036 10 0 BEAERN CNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000046884682 173291515 /nfs/dbraw/zinc/29/15/15/173291515.db2.gz MYFRITMSNMFCAX-YFKPBYRVSA-N 0 0 218.709 2.392 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020306627 173295483 /nfs/dbraw/zinc/29/54/83/173295483.db2.gz NSGAOSVRHXVAEJ-MRVPVSSYSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cc(Cl)ccc1C ZINC000020306748 173295492 /nfs/dbraw/zinc/29/54/92/173295492.db2.gz HPCZSCMXRXKNGD-MRVPVSSYSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@@H](C)Sc1c(N)cccc1Cl ZINC000037204223 173296089 /nfs/dbraw/zinc/29/60/89/173296089.db2.gz BRNFHXDKQCECFD-ZCFIWIBFSA-N 0 0 244.747 2.149 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(Cl)c(F)c1 ZINC000042580108 173303891 /nfs/dbraw/zinc/30/38/91/173303891.db2.gz DHVKMGINBIQKIW-LURJTMIESA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)[C@H](C)Sc1c(N)cccc1Cl ZINC000037204222 173304272 /nfs/dbraw/zinc/30/42/72/173304272.db2.gz BRNFHXDKQCECFD-LURJTMIESA-N 0 0 244.747 2.149 10 0 BEAERN CNC(=O)c1cc(N[C@@H]2CCC[C@H](C)C2)ccn1 ZINC000035673701 173309727 /nfs/dbraw/zinc/30/97/27/173309727.db2.gz WWRPUCRMPONHDZ-WDEREUQCSA-N 0 0 247.342 2.432 10 0 BEAERN CNC(=O)c1cccc(N[C@@H]2CCO[C@@H](C)C2)c1 ZINC000070345917 173312010 /nfs/dbraw/zinc/31/20/10/173312010.db2.gz BLNYOZTZYDXXIO-GXFFZTMASA-N 0 0 248.326 2.026 10 0 BEAERN CNC(=O)c1cccc(N[C@@H]2CCO[C@H](C)C2)c1 ZINC000070345916 173312048 /nfs/dbraw/zinc/31/20/48/173312048.db2.gz BLNYOZTZYDXXIO-ZWNOBZJWSA-N 0 0 248.326 2.026 10 0 BEAERN CNCc1noc(Cc2cccc(Cl)c2)n1 ZINC000052945617 173399256 /nfs/dbraw/zinc/39/92/56/173399256.db2.gz XAAFRKNFRYABTA-UHFFFAOYSA-N 0 0 237.690 2.033 10 0 BEAERN CNCc1noc(-c2ccc3ccccc3n2)n1 ZINC000051848601 173399415 /nfs/dbraw/zinc/39/94/15/173399415.db2.gz LVYPQLNDPGMCNS-UHFFFAOYSA-N 0 0 240.266 2.004 10 0 BEAERN CN[C@@H](c1cncnc1)c1ccccc1Cl ZINC000052887472 173430259 /nfs/dbraw/zinc/43/02/59/173430259.db2.gz IZGQDLCUXRGXAC-LBPRGKRZSA-N 0 0 233.702 2.439 10 0 BEAERN C[NH2+][C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000037181043 173442499 /nfs/dbraw/zinc/44/24/99/173442499.db2.gz WRUGSFJAEXFERU-LBPRGKRZSA-N 0 0 215.252 2.185 10 0 BEAERN CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000031979953 173480434 /nfs/dbraw/zinc/48/04/34/173480434.db2.gz XGJAWXUSKUGZFA-LBPRGKRZSA-N 0 0 207.273 2.286 10 0 BEAERN CNc1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000038057200 173480862 /nfs/dbraw/zinc/48/08/62/173480862.db2.gz HHEZEFSVFJHICI-SNVBAGLBSA-N 0 0 236.315 2.020 10 0 BEAERN CNc1ccc(O[C@H]2CCC[C@H]2O)cc1 ZINC000038057252 173480911 /nfs/dbraw/zinc/48/09/11/173480911.db2.gz UXIMKUBGRSGKNB-NEPJUHHUSA-N 0 0 207.273 2.021 10 0 BEAERN CNc1ccnc(CCc2ccccc2)n1 ZINC000050852747 173483871 /nfs/dbraw/zinc/48/38/71/173483871.db2.gz DIEVMSLHMQDENP-UHFFFAOYSA-N 0 0 213.284 2.304 10 0 BEAERN CNc1nc(Cc2ccc(F)cc2Cl)no1 ZINC000062609084 173487532 /nfs/dbraw/zinc/48/75/32/173487532.db2.gz QXECQYHSNWBMMD-UHFFFAOYSA-N 0 0 241.653 2.495 10 0 BEAERN COC(=O)CCCC(=O)c1ccc(N(C)C)cc1 ZINC000074418376 173529527 /nfs/dbraw/zinc/52/95/27/173529527.db2.gz YXRITGQMBQXUGQ-UHFFFAOYSA-N 0 0 249.310 2.279 10 0 BEAERN COC(=O)Cc1cc(C)nc2ccccc12 ZINC000005159941 173640314 /nfs/dbraw/zinc/64/03/14/173640314.db2.gz MSWWDPYIXQXSKI-UHFFFAOYSA-N 0 0 215.252 2.259 10 0 BEAERN COC(=O)Cc1c(C)[nH]c2nc(Cl)ccc21 ZINC000095937202 173640580 /nfs/dbraw/zinc/64/05/80/173640580.db2.gz IJQOBKUMOKOMSB-UHFFFAOYSA-N 0 0 238.674 2.240 10 0 BEAERN COC(=O)N[C@H](CC(C)=O)c1ccccc1 ZINC000007992456 173660979 /nfs/dbraw/zinc/66/09/79/173660979.db2.gz QRKCOWNGICFRML-LLVKDONJSA-N 0 0 221.256 2.063 10 0 BEAERN COC(=O)[C@@H](NCC1CC1)c1cccc(F)c1 ZINC000037967813 173709657 /nfs/dbraw/zinc/70/96/57/173709657.db2.gz ONZWNMQTBOXDAX-LBPRGKRZSA-N 0 0 237.274 2.039 10 0 BEAERN COC(=O)c1cc(F)c(F)c(C)c1F ZINC000047202424 173857011 /nfs/dbraw/zinc/85/70/11/173857011.db2.gz UILPEOUDQVYDAG-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN COC(=O)c1cc2oc(Br)cc2[nH]1 ZINC000049453419 173864772 /nfs/dbraw/zinc/86/47/72/173864772.db2.gz SQJIVTFALTUOBG-UHFFFAOYSA-N 0 0 244.044 2.310 10 0 BEAERN COC(=O)c1ccc(N[C@@H](C)c2cc[nH]n2)cc1 ZINC000037907055 173884997 /nfs/dbraw/zinc/88/49/97/173884997.db2.gz NUZUURKRIHTERL-VIFPVBQESA-N 0 0 245.282 2.369 10 0 BEAERN COC(=O)c1ccc(N[C@@H]2CCSC2)cc1 ZINC000034960969 173885864 /nfs/dbraw/zinc/88/58/64/173885864.db2.gz CFMMXLCDJWTZNF-LLVKDONJSA-N 0 0 237.324 2.391 10 0 BEAERN COC(=S)c1c[nH]c(=S)c(Cl)c1 ZINC000096308607 173924337 /nfs/dbraw/zinc/92/43/37/173924337.db2.gz QFDYZQQUYFCRJL-UHFFFAOYSA-N 0 0 219.718 2.346 10 0 BEAERN COC1=CC(=O)O[C@@H]1c1ccc(C)cc1 ZINC000001667426 174012761 /nfs/dbraw/zinc/01/27/61/174012761.db2.gz RPKQKFMOQBQYIW-GFCCVEGCSA-N 0 0 204.225 2.123 10 0 BEAERN COC1=NCCOc2ccc(Cl)cc21 ZINC000095755988 174014181 /nfs/dbraw/zinc/01/41/81/174014181.db2.gz OHNVTXYSVPHFFQ-UHFFFAOYSA-N 0 0 211.648 2.125 10 0 BEAERN COCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181223668 174132766 /nfs/dbraw/zinc/13/27/66/174132766.db2.gz WXWDRDMTPPCOOH-NHYWBVRUSA-N 0 0 247.338 2.381 10 0 BEAERN COCCCC(=O)NCCC1=CCCC1 ZINC000131660252 174163657 /nfs/dbraw/zinc/16/36/57/174163657.db2.gz HOUMTKADNTWCRY-UHFFFAOYSA-N 0 0 211.305 2.030 10 0 BEAERN COCCCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110451506 174166330 /nfs/dbraw/zinc/16/63/30/174166330.db2.gz VEAZEFYWTSUIKN-ZIAGYGMSSA-N 0 0 247.338 2.333 10 0 BEAERN COCCN(c1ccc(C=O)cc1F)C1CC1 ZINC000042518580 174302454 /nfs/dbraw/zinc/30/24/54/174302454.db2.gz RMSMOSYYEPWSSM-UHFFFAOYSA-N 0 0 237.274 2.253 10 0 BEAERN COCCNCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041612856 174332686 /nfs/dbraw/zinc/33/26/86/174332686.db2.gz FSCOTWBWHIKZJB-UHFFFAOYSA-N 0 0 249.354 2.403 10 0 BEAERN COCCOc1ccc([C@H](N)C(F)(F)F)cc1 ZINC000071564015 174369633 /nfs/dbraw/zinc/36/96/33/174369633.db2.gz MCOGYQAIQOPPIU-JTQLQIEISA-N 0 0 249.232 2.274 10 0 BEAERN COCCSc1nc2ccc(N)cc2o1 ZINC000042142590 174377737 /nfs/dbraw/zinc/37/77/37/174377737.db2.gz ZHMLBWJSNHUIIF-UHFFFAOYSA-N 0 0 224.285 2.149 10 0 BEAERN COCCc1noc(N)c1-c1ccc(OC)cc1 ZINC000036936894 174427033 /nfs/dbraw/zinc/42/70/33/174427033.db2.gz XMYQUFOXJNWYGK-UHFFFAOYSA-N 0 0 248.282 2.121 10 0 BEAERN COC[C@@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000171428113 174434214 /nfs/dbraw/zinc/43/42/14/174434214.db2.gz LPBWUWUEDHDWKX-GFCCVEGCSA-N 0 0 235.327 2.236 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000103393040 174434866 /nfs/dbraw/zinc/43/48/66/174434866.db2.gz OVQTXUNXYKYCQM-LLVKDONJSA-N 0 0 221.300 2.240 10 0 BEAERN COC[C@@H](C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000127492602 174435920 /nfs/dbraw/zinc/43/59/20/174435920.db2.gz SSBXGNIDTSSLEJ-CHWSQXEVSA-N 0 0 249.354 2.497 10 0 BEAERN COC[C@@H](C)C(=O)OCCCc1ccccc1 ZINC000103356715 174439209 /nfs/dbraw/zinc/43/92/09/174439209.db2.gz XTZXQXLCQHBJDL-GFCCVEGCSA-N 0 0 236.311 2.445 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(F)c(C)c1 ZINC000103394610 174528316 /nfs/dbraw/zinc/52/83/16/174528316.db2.gz PBEPDOCUVBTPTK-VIFPVBQESA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@H](C)C(=O)Nc1ncc(C(C)C)s1 ZINC000172674486 174528789 /nfs/dbraw/zinc/52/87/89/174528789.db2.gz MACYRPDTRVLACC-QMMMGPOBSA-N 0 0 242.344 2.488 10 0 BEAERN COC[C@H](C)N(C)c1ccc(Cl)cc1N ZINC000042517402 174538148 /nfs/dbraw/zinc/53/81/48/174538148.db2.gz MSKUWTBYRGNCAE-QMMMGPOBSA-N 0 0 228.723 2.393 10 0 BEAERN COCc1ccccc1NCc1cnn(C)c1C ZINC000093649472 174635721 /nfs/dbraw/zinc/63/57/21/174635721.db2.gz ONDGOBMJGNKKEO-UHFFFAOYSA-N 0 0 245.326 2.487 10 0 BEAERN CO[C@H](C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000115276905 174805356 /nfs/dbraw/zinc/80/53/56/174805356.db2.gz JAPXHOLVJDDVBY-UTUOFQBUSA-N 0 0 227.348 2.354 10 0 BEAERN CO[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000039093240 174871910 /nfs/dbraw/zinc/87/19/10/174871910.db2.gz IPODTHWZYLGQBE-QMMMGPOBSA-N 0 0 203.282 2.140 10 0 BEAERN COc1c(CNc2cccc(F)c2)c(C)nn1C ZINC000155582017 174929038 /nfs/dbraw/zinc/92/90/38/174929038.db2.gz PWNZVMTVOUMUIU-UHFFFAOYSA-N 0 0 249.289 2.488 10 0 BEAERN COc1cc(C)c(NCCO)cc1Cl ZINC000082595809 174960620 /nfs/dbraw/zinc/96/06/20/174960620.db2.gz NKQPFDMBTDJWOX-UHFFFAOYSA-N 0 0 215.680 2.061 10 0 BEAERN COc1cc(F)c(Br)cc1O ZINC000167521855 174991045 /nfs/dbraw/zinc/99/10/45/174991045.db2.gz NLRBXUYTIBIVHF-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN COc1cc(F)ccc1N[C@@H]1CCC[C@@H]1O ZINC000049567115 174994318 /nfs/dbraw/zinc/99/43/18/174994318.db2.gz CNWUOKPKMXBGKA-KOLCDFICSA-N 0 0 225.263 2.160 10 0 BEAERN COc1cc(NC[C@@H]2CCOC2)cc(OC)c1 ZINC000019909685 175002379 /nfs/dbraw/zinc/00/23/79/175002379.db2.gz QEKWDEBDRVGEOL-JTQLQIEISA-N 0 0 237.299 2.152 10 0 BEAERN COc1cc(NCc2cnccn2)cc(OC)c1 ZINC000054765452 175003071 /nfs/dbraw/zinc/00/30/71/175003071.db2.gz OJGLPJNWXZNOCR-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1cc(N[C@H](C)c2cccc(O)c2)ncn1 ZINC000355418467 175003978 /nfs/dbraw/zinc/00/39/78/175003978.db2.gz WIWKYFMOMLUEFV-SECBINFHSA-N 0 0 245.282 2.364 10 0 BEAERN COc1cc(OC)c(OC)cc1/C=C/[C@H](C)O ZINC000077383758 175007228 /nfs/dbraw/zinc/00/72/28/175007228.db2.gz TZBTXXKHHUVDLM-CYNONHLPSA-N 0 0 238.283 2.106 10 0 BEAERN COc1cc(OC)c2c(c1)[C@H](O)CCC2 ZINC000019727017 175009335 /nfs/dbraw/zinc/00/93/35/175009335.db2.gz RJJSZLNJHAIPNT-LLVKDONJSA-N 0 0 208.257 2.074 10 0 BEAERN COc1cc(OC[C@@H]2CCCCO2)ccc1N ZINC000104235759 175012611 /nfs/dbraw/zinc/01/26/11/175012611.db2.gz KOJIDWULURMQIO-NSHDSACASA-N 0 0 237.299 2.225 10 0 BEAERN COc1cc2c(c(OC)c1OC)CCCN2 ZINC000022217220 175020180 /nfs/dbraw/zinc/02/01/80/175020180.db2.gz QOIVOLBELHOIRZ-UHFFFAOYSA-N 0 0 223.272 2.071 10 0 BEAERN COc1cc2c(cc1OC)C(=O)C[C@H](C)N2 ZINC000071481908 175024648 /nfs/dbraw/zinc/02/46/48/175024648.db2.gz HQONJNNQULEVQJ-ZETCQYMHSA-N 0 0 221.256 2.091 10 0 BEAERN COc1cc2c(cc1OC)[C@@H](O)CCC2 ZINC000019727022 175025141 /nfs/dbraw/zinc/02/51/41/175025141.db2.gz AYSRPTHMTBIMOJ-JTQLQIEISA-N 0 0 208.257 2.074 10 0 BEAERN COc1cc2cc[nH]c(=O)c2cc1Cl ZINC000071482393 175026025 /nfs/dbraw/zinc/02/60/25/175026025.db2.gz SNCIBVDVRDWLLL-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN COc1cc2nc(C(C)C)oc(=O)c2cc1OC ZINC000009452311 175028435 /nfs/dbraw/zinc/02/84/35/175028435.db2.gz HIXQIKDHLKYNRE-UHFFFAOYSA-N 0 0 249.266 2.329 10 0 BEAERN COc1ccc(-c2ccc(O)cn2)c(OC)c1 ZINC000065355928 175034329 /nfs/dbraw/zinc/03/43/29/175034329.db2.gz UUNAUVJYHRDCTQ-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN COc1ccc(-c2nc(C(C)=O)c[nH]2)c(OC)c1 ZINC000041297029 175038682 /nfs/dbraw/zinc/03/86/82/175038682.db2.gz IBQKSGIYCVZZCX-UHFFFAOYSA-N 0 0 246.266 2.297 10 0 BEAERN COc1ccc(-c2nc3cccnc3[nH]2)c(N)c1 ZINC000082549712 175040472 /nfs/dbraw/zinc/04/04/72/175040472.db2.gz SLJXCBJWCFVCPC-UHFFFAOYSA-N 0 0 240.266 2.216 10 0 BEAERN COc1ccc(-c2sc(=NN)[nH]c2C)cc1 ZINC000057525720 175044351 /nfs/dbraw/zinc/04/43/51/175044351.db2.gz XJFHQWOCNZLICM-UHFFFAOYSA-N 0 0 235.312 2.413 10 0 BEAERN COc1ccc(/C=C\C2=NN(C)C(=O)CC2)cc1 ZINC000033336590 175048777 /nfs/dbraw/zinc/04/87/77/175048777.db2.gz WEWIIGRQOVQDCT-UTCJRWHESA-N 0 0 244.294 2.317 10 0 BEAERN COc1ccc(C(=O)N2CCCC2(C)C)cc1N ZINC000063065459 175055959 /nfs/dbraw/zinc/05/59/59/175055959.db2.gz LNNYHVLOILTMHV-UHFFFAOYSA-N 0 0 248.326 2.292 10 0 BEAERN COc1ccc(C(C)(C)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000162118192 175066829 /nfs/dbraw/zinc/06/68/29/175066829.db2.gz KMMZNLQJNIVJMM-MFKMUULPSA-N 0 0 247.338 2.497 10 0 BEAERN COc1ccc(C)c2c(C=O)ccnc12 ZINC000001526928 175071065 /nfs/dbraw/zinc/07/10/65/175071065.db2.gz URZSHFBPEWFMEW-UHFFFAOYSA-N 0 0 201.225 2.364 10 0 BEAERN COc1ccc(C)cc1-c1nccc(N)n1 ZINC000071519291 175072579 /nfs/dbraw/zinc/07/25/79/175072579.db2.gz RGALVBXVMPRYPT-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccc(C)cc1[C@@H](C)n1nccc1N ZINC000019689208 175079395 /nfs/dbraw/zinc/07/93/95/175079395.db2.gz TWQGKYBRILKSQP-SNVBAGLBSA-N 0 0 231.299 2.392 10 0 BEAERN COc1ccc(C2=C(C)NC(=O)CC2)cc1 ZINC000039438662 175084468 /nfs/dbraw/zinc/08/44/68/175084468.db2.gz QNLOVDFNIXZURO-UHFFFAOYSA-N 0 0 217.268 2.336 10 0 BEAERN COc1ccc(C=O)c2cc(C(F)(F)F)nn21 ZINC000096028704 175086341 /nfs/dbraw/zinc/08/63/41/175086341.db2.gz NTXWRBUSBGHYQS-UHFFFAOYSA-N 0 0 244.172 2.174 10 0 BEAERN COc1ccc(CNCc2cnc(C)cn2)cc1 ZINC000061319991 175108221 /nfs/dbraw/zinc/10/82/21/175108221.db2.gz FSRVTHAKCUKFHD-UHFFFAOYSA-N 0 0 243.310 2.083 10 0 BEAERN COc1ccc(CSc2nccnc2N)cc1 ZINC000038765563 175115320 /nfs/dbraw/zinc/11/53/20/175115320.db2.gz QZSQBBOYXVFPTQ-UHFFFAOYSA-N 0 0 247.323 2.360 10 0 BEAERN COc1ccc(C[C@@H](C)[C@@H](C)O)cc1OC ZINC000041244476 175115946 /nfs/dbraw/zinc/11/59/46/175115946.db2.gz DCAPBNXXOFNBEG-NXEZZACHSA-N 0 0 224.300 2.263 10 0 BEAERN COc1ccc(Cl)c2c(NN)cc(C)nc12 ZINC000002564411 175118477 /nfs/dbraw/zinc/11/84/77/175118477.db2.gz HWFCQJFTJWCMTK-UHFFFAOYSA-N 0 0 237.690 2.491 10 0 BEAERN COc1ccc(Cl)c2[nH]c(=O)sc21 ZINC000045236890 175118492 /nfs/dbraw/zinc/11/84/92/175118492.db2.gz LAZBLMNKPTWORR-UHFFFAOYSA-N 0 0 215.661 2.252 10 0 BEAERN COc1ccc(Cl)cc1Cn1ccc(N)n1 ZINC000037418761 175121223 /nfs/dbraw/zinc/12/12/23/175121223.db2.gz GHRHUROJPPAQAK-UHFFFAOYSA-N 0 0 237.690 2.176 10 0 BEAERN COc1ccc(Cl)cc1[C@H]1COCCN1 ZINC000041249017 175122637 /nfs/dbraw/zinc/12/26/37/175122637.db2.gz RGSHLTPYRAXOIG-SNVBAGLBSA-N 0 0 227.691 2.010 10 0 BEAERN COc1ccc(F)cc1[C@@H](O)[C@@H]1CCCOC1 ZINC000062239677 175133126 /nfs/dbraw/zinc/13/31/26/175133126.db2.gz GBUFBXWJGQYTNG-RNCFNFMXSA-N 0 0 240.274 2.294 10 0 BEAERN COc1ccc(N)c(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000037846664 175137332 /nfs/dbraw/zinc/13/73/32/175137332.db2.gz XGADLVZGJFBQMR-SNVBAGLBSA-N 0 0 248.326 2.150 10 0 BEAERN COc1ccc(N)c(C)c1Br ZINC000066325710 175137518 /nfs/dbraw/zinc/13/75/18/175137518.db2.gz UTEPYBWRDYWTJH-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN COc1ccc(N)c2cc(C3(C)OCCO3)oc21 ZINC000090530543 175137611 /nfs/dbraw/zinc/13/76/11/175137611.db2.gz WIHVMADCVSHQBR-UHFFFAOYSA-N 0 0 249.266 2.243 10 0 BEAERN COc1ccc(N)cc1NC(=O)CC1CC1 ZINC000049728684 175138142 /nfs/dbraw/zinc/13/81/42/175138142.db2.gz JLLDQERNMAKWMC-UHFFFAOYSA-N 0 0 220.272 2.016 10 0 BEAERN COc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000190269480 175146033 /nfs/dbraw/zinc/14/60/33/175146033.db2.gz NFPPQTMGMWOTFC-GXFFZTMASA-N 0 0 249.310 2.449 10 0 BEAERN COc1ccc(NCCC(=O)NC2CC2)c(C)c1 ZINC000061567279 175150396 /nfs/dbraw/zinc/15/03/96/175150396.db2.gz NUTHEDGZYBAMHG-UHFFFAOYSA-N 0 0 248.326 2.084 10 0 BEAERN COc1ccc(NC[C@H](O)c2ccco2)cc1 ZINC000033464881 175151254 /nfs/dbraw/zinc/15/12/54/175151254.db2.gz VJDRLTQJZWKZNN-LBPRGKRZSA-N 0 0 233.267 2.434 10 0 BEAERN COc1ccc(NC[C@@H]2CCOC2)cc1F ZINC000037290309 175151549 /nfs/dbraw/zinc/15/15/49/175151549.db2.gz UJNNHVWNABZQQV-VIFPVBQESA-N 0 0 225.263 2.283 10 0 BEAERN COc1ccc(NC[C@H]2CCCO2)cc1OC ZINC000020045712 175151937 /nfs/dbraw/zinc/15/19/37/175151937.db2.gz FEJGXMYMRVORKB-LLVKDONJSA-N 0 0 237.299 2.295 10 0 BEAERN COc1ccc(NCc2ncccn2)cc1C ZINC000054459564 175153533 /nfs/dbraw/zinc/15/35/33/175153533.db2.gz SLICBSISYXQYII-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COc1ccc(N[C@@H](CC(C)C)C(N)=O)cc1 ZINC000037941487 175153801 /nfs/dbraw/zinc/15/38/01/175153801.db2.gz JIRMVDJBAHCWOQ-LBPRGKRZSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@H]2O)cc1 ZINC000034590471 175154330 /nfs/dbraw/zinc/15/43/30/175154330.db2.gz WNMKUSDJPFVKRD-VXGBXAGGSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000085628272 175154663 /nfs/dbraw/zinc/15/46/63/175154663.db2.gz BMYKOIAHPUHJQE-UHTWSYAYSA-N 0 0 248.326 2.316 10 0 BEAERN COc1ccc(N[C@H]2CCCCNC2=O)c(C)c1 ZINC000061567881 175155349 /nfs/dbraw/zinc/15/53/49/175155349.db2.gz LTYGMSPUKDIVJW-ZDUSSCGKSA-N 0 0 248.326 2.084 10 0 BEAERN COc1ccc(Nc2ncc(N)cn2)cc1C ZINC000049529125 175156505 /nfs/dbraw/zinc/15/65/05/175156505.db2.gz CJDRPAQOETXJOQ-UHFFFAOYSA-N 0 0 230.271 2.119 10 0 BEAERN COc1ccc(O)c(C(=O)N2C[C@H]3CC[C@@H]2C3)c1 ZINC000042266488 175157052 /nfs/dbraw/zinc/15/70/52/175157052.db2.gz HDPMXPPZZOTQIX-VHSXEESVSA-N 0 0 247.294 2.025 10 0 BEAERN COc1ccc(O)c2c1C[C@@H](C(C)=O)CC2 ZINC000082288486 175160122 /nfs/dbraw/zinc/16/01/22/175160122.db2.gz QPQWDESJQFOJBV-VIFPVBQESA-N 0 0 220.268 2.095 10 0 BEAERN COc1ccc(OC)c(-c2cocn2)c1 ZINC000057492827 175163646 /nfs/dbraw/zinc/16/36/46/175163646.db2.gz KUSSRRASSQUGGZ-UHFFFAOYSA-N 0 0 205.213 2.359 10 0 BEAERN COc1ccc(OC)c(NC[C@H]2CCOC2)c1 ZINC000019910710 175166852 /nfs/dbraw/zinc/16/68/52/175166852.db2.gz ZDQLIMFJIVXOCV-SNVBAGLBSA-N 0 0 237.299 2.152 10 0 BEAERN COc1ccc(OC)c(NCc2cncnc2)c1 ZINC000054766917 175167019 /nfs/dbraw/zinc/16/70/19/175167019.db2.gz PUZKFNOUVHBMQK-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1ccc(OC)c([C@H]2OCCS2)c1 ZINC000090530010 175169851 /nfs/dbraw/zinc/16/98/51/175169851.db2.gz BOLDZMPKKTULLO-NSHDSACASA-N 0 0 226.297 2.466 10 0 BEAERN COc1ccc(OC2CC2)c(N(C)C)c1 ZINC000095728286 175171297 /nfs/dbraw/zinc/17/12/97/175171297.db2.gz WPROKJOYZSMMNR-UHFFFAOYSA-N 0 0 207.273 2.302 10 0 BEAERN COc1ccc(Oc2ccncc2N)cc1 ZINC000020370654 175173995 /nfs/dbraw/zinc/17/39/95/175173995.db2.gz LOTPHTPBUPBAFO-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccc([C@@H](O)C2CC2)cc1OC ZINC000032011938 175180760 /nfs/dbraw/zinc/18/07/60/175180760.db2.gz AXVARLZTLWDSPD-LBPRGKRZSA-N 0 0 208.257 2.147 10 0 BEAERN COc1ccc([C@@H](O)Cc2cnc(C)cn2)cc1 ZINC000032134654 175181381 /nfs/dbraw/zinc/18/13/81/175181381.db2.gz UKOAWZYHPWSZGT-AWEZNQCLSA-N 0 0 244.294 2.070 10 0 BEAERN COc1ccc([C@H]2CC[C@@H](O)C2)c(OC)c1 ZINC000057514813 175195595 /nfs/dbraw/zinc/19/55/95/175195595.db2.gz VPHFAOJKVPGTSM-VHSXEESVSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc([C@H]2OCOC[C@H]2C)cc1 ZINC000001599432 175199138 /nfs/dbraw/zinc/19/91/38/175199138.db2.gz ZHEZIDHIKDDZLJ-SKDRFNHKSA-N 0 0 208.257 2.377 10 0 BEAERN COc1ccc2c(c1)[nH]c1occc1c2=O ZINC000005543915 175202844 /nfs/dbraw/zinc/20/28/44/175202844.db2.gz KYQQCEHDCLFPRJ-UHFFFAOYSA-N 0 0 215.208 2.283 10 0 BEAERN COc1ccc2c(cc[nH+]c2NCCC(=O)[O-])c1 ZINC000082766055 175205551 /nfs/dbraw/zinc/20/55/51/175205551.db2.gz PGCGEIZSLNPHGV-UHFFFAOYSA-N 0 0 246.266 2.130 10 0 BEAERN COc1ccc2c(c1)cc(=O)[nH]c2SC ZINC000082289475 175205723 /nfs/dbraw/zinc/20/57/23/175205723.db2.gz FTRVYAVLBZKACD-UHFFFAOYSA-N 0 0 221.281 2.259 10 0 BEAERN COc1ccc2c(c1)NC(=O)[C@@H](CC(C)C)N2 ZINC000082341868 175211945 /nfs/dbraw/zinc/21/19/45/175211945.db2.gz RQWXHXPFFZHLTK-GFCCVEGCSA-N 0 0 234.299 2.474 10 0 BEAERN COc1ccc2c(c1)N(C(C)=O)CCCC2=O ZINC000095626887 175212033 /nfs/dbraw/zinc/21/20/33/175212033.db2.gz DSLFWRLQQGQYDJ-UHFFFAOYSA-N 0 0 233.267 2.025 10 0 BEAERN COc1ccc2c(c1)nc(Br)n2C ZINC000075842570 175219225 /nfs/dbraw/zinc/21/92/25/175219225.db2.gz ZAFYXEUOANVYPN-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1ccc2nc(Br)ccc2n1 ZINC000116154456 175226809 /nfs/dbraw/zinc/22/68/09/175226809.db2.gz DDHFKVITAWHQIJ-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN COc1ccc2nc(C(C)C)c(=O)[nH]c2c1 ZINC000032063263 175227366 /nfs/dbraw/zinc/22/73/66/175227366.db2.gz SOJLGLUVYRVADY-UHFFFAOYSA-N 0 0 218.256 2.055 10 0 BEAERN COc1ccc2ncc(F)c(Cl)c2n1 ZINC000147331732 175230374 /nfs/dbraw/zinc/23/03/74/175230374.db2.gz TWUWTFJSKUQHIQ-UHFFFAOYSA-N 0 0 212.611 2.431 10 0 BEAERN COc1cccc(-c2cc(N)nc(C)n2)c1 ZINC000044262545 175233974 /nfs/dbraw/zinc/23/39/74/175233974.db2.gz KKCYFBSFSAYLOO-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1cccc(C(=O)N(C)C[C@H]2C[C@H]2C)c1O ZINC000104422353 175242415 /nfs/dbraw/zinc/24/24/15/175242415.db2.gz UWOGMVOSVQRJGQ-NXEZZACHSA-N 0 0 249.310 2.129 10 0 BEAERN COc1cccc(C=O)c1OC[C@H]1CCCO1 ZINC000033425656 175248974 /nfs/dbraw/zinc/24/89/74/175248974.db2.gz QRSHGMGLZULWOV-LLVKDONJSA-N 0 0 236.267 2.066 10 0 BEAERN COc1cccc(C=O)c1OCc1ccno1 ZINC000035412828 175249366 /nfs/dbraw/zinc/24/93/66/175249366.db2.gz FMYZPATXQDPRHO-UHFFFAOYSA-N 0 0 233.223 2.075 10 0 BEAERN COc1cccc(CNC(=O)CC2CCCC2)n1 ZINC000128355355 175262411 /nfs/dbraw/zinc/26/24/11/175262411.db2.gz HKEBSVRWYIOURE-UHFFFAOYSA-N 0 0 248.326 2.287 10 0 BEAERN COc1cccc(NC[C@H](O)c2ccccc2)n1 ZINC000104117705 175278737 /nfs/dbraw/zinc/27/87/37/175278737.db2.gz VSPQAKGMWQSODY-LBPRGKRZSA-N 0 0 244.294 2.236 10 0 BEAERN COc1cccc(NC[C@@H]2CCOC2)c1 ZINC000019964167 175279460 /nfs/dbraw/zinc/27/94/60/175279460.db2.gz LQZGSVPVANDBPB-JTQLQIEISA-N 0 0 207.273 2.144 10 0 BEAERN COc1cccc(N[C@H](C)C(=O)N2CCCC2)c1 ZINC000055420966 175279821 /nfs/dbraw/zinc/27/98/21/175279821.db2.gz UNCZMTVVDPIDIE-LLVKDONJSA-N 0 0 248.326 2.118 10 0 BEAERN COc1cccc(N[C@H](C)C(=O)NC(C)C)c1 ZINC000020304413 175280377 /nfs/dbraw/zinc/28/03/77/175280377.db2.gz UWVFMWWXWHIYAU-SNVBAGLBSA-N 0 0 236.315 2.020 10 0 BEAERN COc1cccc(OC)c1[C@@H](N)C(F)(F)F ZINC000072190783 175282561 /nfs/dbraw/zinc/28/25/61/175282561.db2.gz SQZHNJAYNMILNK-SECBINFHSA-N 0 0 235.205 2.266 10 0 BEAERN COc1cccc(Oc2cc(N)ccc2OC)n1 ZINC000104111083 175285216 /nfs/dbraw/zinc/28/52/16/175285216.db2.gz GYNIRLAXQYFDGL-UHFFFAOYSA-N 0 0 246.266 2.473 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC2CC2)c1 ZINC000106726714 175290690 /nfs/dbraw/zinc/29/06/90/175290690.db2.gz ZCBNFABAAYYSDN-STQMWFEESA-N 0 0 231.295 2.077 10 0 BEAERN COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000003745115 175292360 /nfs/dbraw/zinc/29/23/60/175292360.db2.gz XFZPLWGKYXUVIR-GXFFZTMASA-N 0 0 249.310 2.305 10 0 BEAERN COc1cccc([C@H]([NH2+]C2CCCC2)C(=O)[O-])c1 ZINC000037969141 175294931 /nfs/dbraw/zinc/29/49/31/175294931.db2.gz SCXLJFKHQGFIRA-ZDUSSCGKSA-N 0 0 249.310 2.353 10 0 BEAERN COc1cccc([C@](C)(O)c2cccnc2)c1 ZINC000037761301 175296576 /nfs/dbraw/zinc/29/65/76/175296576.db2.gz YMYOXDMVSUYUPB-AWEZNQCLSA-N 0 0 229.279 2.346 10 0 BEAERN COc1cccc([C@H]2C[C@@H]2C(=O)NCC2CC2)c1 ZINC000106735951 175297030 /nfs/dbraw/zinc/29/70/30/175297030.db2.gz LMDIPPOYLGGMHO-KGLIPLIRSA-N 0 0 245.322 2.325 10 0 BEAERN COc1cccc2cc(C(F)(F)F)nn21 ZINC000096028700 175306522 /nfs/dbraw/zinc/30/65/22/175306522.db2.gz HKLZJBNLUGCAHT-UHFFFAOYSA-N 0 0 216.162 2.362 10 0 BEAERN COc1ccccc1-c1cc(Cl)nc(N)n1 ZINC000058650266 175309119 /nfs/dbraw/zinc/30/91/19/175309119.db2.gz SYQGHXNIIBJJKO-UHFFFAOYSA-N 0 0 235.674 2.388 10 0 in-vitro BEAERN COc1ccccc1C[C@H](O)c1ccncc1 ZINC000043457738 175333490 /nfs/dbraw/zinc/33/34/90/175333490.db2.gz LQSGHUIPJJIKSM-ZDUSSCGKSA-N 0 0 229.279 2.366 10 0 BEAERN COc1ccccc1C[C@H](O)[C@H]1CCCOC1 ZINC000062244328 175333854 /nfs/dbraw/zinc/33/38/54/175333854.db2.gz DPUDHCKAYJHJBO-STQMWFEESA-N 0 0 236.311 2.025 10 0 BEAERN COc1ccccc1NCCCn1ccnc1 ZINC000049327590 175338203 /nfs/dbraw/zinc/33/82/03/175338203.db2.gz FLZASDKXOFGERV-UHFFFAOYSA-N 0 0 231.299 2.394 10 0 BEAERN COc1ccccc1OCCNCC(F)(F)F ZINC000053567041 175340620 /nfs/dbraw/zinc/34/06/20/175340620.db2.gz PYXPSYYQYUQLIK-UHFFFAOYSA-N 0 0 249.232 2.226 10 0 BEAERN COc1ccccc1Oc1ccncc1N ZINC000020370648 175342366 /nfs/dbraw/zinc/34/23/66/175342366.db2.gz VLRTVMXSTYRMFP-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccccc1Sc1ncc(N)cn1 ZINC000041030458 175343236 /nfs/dbraw/zinc/34/32/36/175343236.db2.gz PHCYDQFEWPHTRP-UHFFFAOYSA-N 0 0 233.296 2.219 10 0 BEAERN COc1ccccc1[C@@H](C)CC(=O)N1CCCO1 ZINC000134212392 175345128 /nfs/dbraw/zinc/34/51/28/175345128.db2.gz GQEVBKXLBHJDGK-NSHDSACASA-N 0 0 249.310 2.353 10 0 BEAERN COc1ccccc1[C@H](N)c1noc(C(C)C)n1 ZINC000036763650 175353021 /nfs/dbraw/zinc/35/30/21/175353021.db2.gz XAHODRWZXQBQBJ-NSHDSACASA-N 0 0 247.298 2.250 10 0 BEAERN COc1ccccc1[C@H]1Cc2n[nH]cc2[C@@H](O)C1 ZINC000072415219 175355641 /nfs/dbraw/zinc/35/56/41/175355641.db2.gz CAWYJYSINXHUFK-ZANVPECISA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccnc(N[C@H]2C[C@H]2c2ccccc2)n1 ZINC000049056125 175368418 /nfs/dbraw/zinc/36/84/18/175368418.db2.gz ZSJAMYWYPFTEJN-RYUDHWBXSA-N 0 0 241.294 2.453 10 0 BEAERN COc1cn2c(cccc2Br)n1 ZINC000082359463 175380353 /nfs/dbraw/zinc/38/03/53/175380353.db2.gz DKWLRUNIXAQGLF-UHFFFAOYSA-N 0 0 227.061 2.105 10 0 BEAERN COc1cncc(OC(C)C)c1OC1CC1 ZINC000095731101 175386791 /nfs/dbraw/zinc/38/67/91/175386791.db2.gz XCEGPKANXKRPPT-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1nc(Cl)nc(-c2cccs2)n1 ZINC000072192390 175392806 /nfs/dbraw/zinc/39/28/06/175392806.db2.gz DRDACPDQCQUTHV-UHFFFAOYSA-N 0 0 227.676 2.262 10 0 BEAERN COc1nc(NC2CCCCC2)ccc1N ZINC000037066661 175395928 /nfs/dbraw/zinc/39/59/28/175395928.db2.gz CKCCEXJMEUVPKE-UHFFFAOYSA-N 0 0 221.304 2.417 10 0 BEAERN COc1nc2ccccc2c(Cl)c1N ZINC000098178876 175396947 /nfs/dbraw/zinc/39/69/47/175396947.db2.gz LWSKIASZFDZUCU-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN CSCCC(=O)Nc1cccc(N)c1C ZINC000038063500 175469219 /nfs/dbraw/zinc/46/92/19/175469219.db2.gz FZPMAOXICLJNPR-UHFFFAOYSA-N 0 0 224.329 2.269 10 0 BEAERN CSCCCC(=O)N[C@@H](C)C(C)C ZINC000336646504 175471871 /nfs/dbraw/zinc/47/18/71/175471871.db2.gz CIRAFDFFGGZHFA-VIFPVBQESA-N 0 0 203.351 2.290 10 0 BEAERN CSCCCCNc1cc(C)ncn1 ZINC000124705588 175475961 /nfs/dbraw/zinc/47/59/61/175475961.db2.gz VSVPSTBKNGQXKC-UHFFFAOYSA-N 0 0 211.334 2.340 10 0 BEAERN CSC[C@H](C)Nc1cc(C)c(C)nn1 ZINC000302787249 175524799 /nfs/dbraw/zinc/52/47/99/175524799.db2.gz AIOKLPUJSOKYEV-QMMMGPOBSA-N 0 0 211.334 2.257 10 0 BEAERN C[C@@H](CO)N(C)C(=O)c1ccc2c(c1)CCCC2 ZINC000135452694 175747827 /nfs/dbraw/zinc/74/78/27/175747827.db2.gz QVNHHCOMCVFNKR-NSHDSACASA-N 0 0 247.338 2.018 10 0 BEAERN C[C@@H](NC(=O)[C@@]1(C)CCCO1)c1cccc(O)c1 ZINC000130423275 175844832 /nfs/dbraw/zinc/84/48/32/175844832.db2.gz MBDPTKHSLPOUSQ-QMTHXVAHSA-N 0 0 249.310 2.139 10 0 BEAERN C[C@@H](Nc1cn[nH]c1)c1nc2ccccc2n1C ZINC000035763792 175935343 /nfs/dbraw/zinc/93/53/43/175935343.db2.gz VBIPTWQNRHVWDV-SECBINFHSA-N 0 0 241.298 2.470 10 0 BEAERN C[C@@H](O)CNc1ccc(N)cc1C(F)(F)F ZINC000034303404 175984277 /nfs/dbraw/zinc/98/42/77/175984277.db2.gz VJYXTWWXBGIBJT-ZCFIWIBFSA-N 0 0 234.221 2.080 10 0 BEAERN C[C@@H](O)c1cc2c(cc1Br)OCO2 ZINC000002027876 175998808 /nfs/dbraw/zinc/99/88/08/175998808.db2.gz JBLGTXYCRBVUSC-RXMQYKEDSA-N 0 0 245.072 2.231 10 0 BEAERN C[C@@H](O)c1cccc(Oc2ncccn2)c1 ZINC000058825641 175999111 /nfs/dbraw/zinc/99/91/11/175999111.db2.gz UGFJYJMMIVYCDG-SECBINFHSA-N 0 0 216.240 2.322 10 0 BEAERN C[C@@H](O)c1ccccc1N(C)Cc1cnn(C)c1 ZINC000042489111 176000088 /nfs/dbraw/zinc/00/00/88/176000088.db2.gz IBJDQKBWYBBFSI-LLVKDONJSA-N 0 0 245.326 2.110 10 0 BEAERN C[C@@H](O)c1ccccc1NCc1cc[nH]n1 ZINC000049542872 176000112 /nfs/dbraw/zinc/00/01/12/176000112.db2.gz OLDGGMPEDWYNDV-SECBINFHSA-N 0 0 217.272 2.075 10 0 BEAERN C[C@@H](O)c1nc(-c2ccncc2)cs1 ZINC000071026519 176000146 /nfs/dbraw/zinc/00/01/46/176000146.db2.gz PWTXRJQBHWHUBB-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@@H](OC(C)(C)C)C(=O)Nc1ccccc1N ZINC000020507516 176002312 /nfs/dbraw/zinc/00/23/12/176002312.db2.gz FMJIVHNJVYERJQ-SECBINFHSA-N 0 0 236.315 2.411 10 0 BEAERN C[C@@H](OC[C@@H]1CCOC1)c1cccc(N)c1 ZINC000049688915 176003324 /nfs/dbraw/zinc/00/33/24/176003324.db2.gz DFDSOWMNDPUKSP-GHMZBOCLSA-N 0 0 221.300 2.383 10 0 BEAERN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N)o1 ZINC000051018271 176005044 /nfs/dbraw/zinc/00/50/44/176005044.db2.gz DMEBAUPNLYOXKK-ZCFIWIBFSA-N 0 0 239.662 2.445 10 0 BEAERN C[C@@H](Oc1cccc(Cl)c1)C(N)=S ZINC000041228720 176005225 /nfs/dbraw/zinc/00/52/25/176005225.db2.gz ABYGZZIGDUNFGL-ZCFIWIBFSA-N 0 0 215.705 2.393 10 0 BEAERN C[C@@H](Oc1ccccc1C(C)(C)C)C(N)=O ZINC000033433530 176005658 /nfs/dbraw/zinc/00/56/58/176005658.db2.gz MZTNNSDUYVZXOD-SECBINFHSA-N 0 0 221.300 2.237 10 0 BEAERN C[C@@H](c1cc(F)ccc1F)n1nccc1N ZINC000019689156 176013517 /nfs/dbraw/zinc/01/35/17/176013517.db2.gz SAMAGMACXJJOSC-ZETCQYMHSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@@H](c1cccc(N)c1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000036738206 176017760 /nfs/dbraw/zinc/01/77/60/176017760.db2.gz CBUHKBKPCCUGSZ-NRUUGDAUSA-N 0 0 232.327 2.444 10 0 BEAERN C[C@@H](c1ccccc1)N(C)C(=O)c1cc(N)c[nH]1 ZINC000042269630 176018971 /nfs/dbraw/zinc/01/89/71/176018971.db2.gz WBQUJWLJBWWOKN-JTQLQIEISA-N 0 0 243.310 2.430 10 0 BEAERN C[C@@H](c1ccccc1)N1CC[C@H]2C[C@@H]1C(=O)O2 ZINC000039120547 176021488 /nfs/dbraw/zinc/02/14/88/176021488.db2.gz WJAONTKZWYIENP-WCFLWFBJSA-N 0 0 231.295 2.137 10 0 BEAERN C[C@@H](c1cccnc1)n1ncc(Cl)c1N ZINC000043665426 176030031 /nfs/dbraw/zinc/03/00/31/176030031.db2.gz TZJFYFGMCYAIOG-ZETCQYMHSA-N 0 0 222.679 2.123 10 0 BEAERN C[C@@H]1CC(=O)Nc2ccc(Cl)cc2O1 ZINC000032217721 176050556 /nfs/dbraw/zinc/05/05/56/176050556.db2.gz OBYMSPNSAICJJD-ZCFIWIBFSA-N 0 0 211.648 2.450 10 0 BEAERN C[C@@H]1CC(Nc2cccc(O)c2)=CC(=O)O1 ZINC000008681067 176055057 /nfs/dbraw/zinc/05/50/57/176055057.db2.gz UAGORTCGMFAAHB-MRVPVSSYSA-N 0 0 219.240 2.023 10 0 BEAERN C[C@@H]1CCCCN1CC(=O)c1ccc(O)cc1 ZINC000035036138 176069401 /nfs/dbraw/zinc/06/94/01/176069401.db2.gz RKNXXBKJJKFJBU-LLVKDONJSA-N 0 0 233.311 2.449 10 0 BEAERN C[C@@H]1CCCC[C@@H]1N(C)c1ncc(N)cn1 ZINC000042603373 176078790 /nfs/dbraw/zinc/07/87/90/176078790.db2.gz WJBJLOWFLSLRMG-KOLCDFICSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@@H]1CCCC[C@@H]1OCCC(N)=S ZINC000019518636 176082515 /nfs/dbraw/zinc/08/25/15/176082515.db2.gz ZGNFLASELDJQKW-BDAKNGLRSA-N 0 0 201.335 2.258 10 0 BEAERN C[C@@H]1CCCC[C@H]1Nc1ncc(N)cn1 ZINC000040455331 176089408 /nfs/dbraw/zinc/08/94/08/176089408.db2.gz JRLSWGSJIUOFCC-PSASIEDQSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1cccc(F)c1N ZINC000054189804 176107620 /nfs/dbraw/zinc/10/76/20/176107620.db2.gz YNCYOGIYDCFHGY-MRVPVSSYSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@@H]1CCC[C@@H](CCNC(=O)N(C)C)C1 ZINC000115487854 176117859 /nfs/dbraw/zinc/11/78/59/176117859.db2.gz VJCKXLVUVIQCJK-MNOVXSKESA-N 0 0 212.337 2.474 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N)cc1F ZINC000071205318 176130813 /nfs/dbraw/zinc/13/08/13/176130813.db2.gz UDAWWBSJNQEEMT-PELKAZGASA-N 0 0 236.290 2.326 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](CCO)C2)C1 ZINC000340262502 176135358 /nfs/dbraw/zinc/13/53/58/176135358.db2.gz FEBWWEDXDKQAEQ-AGIUHOORSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@H](Oc2ncc(N)cn2)C1 ZINC000040456101 176146279 /nfs/dbraw/zinc/14/62/79/176146279.db2.gz OEXAIGIVOUVQMM-SCZZXKLOSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(=O)[nH]c1 ZINC000334184140 176147575 /nfs/dbraw/zinc/14/75/75/176147575.db2.gz CXKDPKHBJYYWBV-PSASIEDQSA-N 0 0 220.272 2.162 10 0 BEAERN C[C@@H]1CCC[C@]([NH2+]CC2CC2)(C(=O)[O-])C1 ZINC000037967191 176152288 /nfs/dbraw/zinc/15/22/88/176152288.db2.gz QGIGEACZDQOXAZ-BXKDBHETSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@@H]1CCN(c2c(N)ccc(F)c2F)C1 ZINC000053165853 176180875 /nfs/dbraw/zinc/18/08/75/176180875.db2.gz RMDZWRQURUBQBP-SSDOTTSWSA-N 0 0 212.243 2.393 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2)O1 ZINC000121705231 176196293 /nfs/dbraw/zinc/19/62/93/176196293.db2.gz TWBHXLCOGBECND-KOLCDFICSA-N 0 0 205.257 2.193 10 0 BEAERN C[C@@H]1CC[C@@H](Nc2ccc(C(N)=O)cc2)C1 ZINC000070642771 176213990 /nfs/dbraw/zinc/21/39/90/176213990.db2.gz LURJNCJNKFDDJP-BXKDBHETSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCCCc2ccccc2)O1 ZINC000122199704 176220558 /nfs/dbraw/zinc/22/05/58/176220558.db2.gz GBCVSBOOVYDMDC-TZMCWYRMSA-N 0 0 247.338 2.303 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)O1 ZINC000122304028 176220563 /nfs/dbraw/zinc/22/05/63/176220563.db2.gz CBWMPISVDMTGEH-BXKDBHETSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@@H]1CC[C@H](CO)CN1c1nc2ccccc2o1 ZINC000119352871 176227972 /nfs/dbraw/zinc/22/79/72/176227972.db2.gz FYEZLQUGSSRIJX-MNOVXSKESA-N 0 0 246.310 2.425 10 0 BEAERN C[C@@H]1CN(C[C@H]2CCCC2(F)F)CCC1=O ZINC000334560957 176300065 /nfs/dbraw/zinc/30/00/65/176300065.db2.gz WDWPBRLZBLAQSS-NXEZZACHSA-N 0 0 231.286 2.333 10 0 BEAERN C[C@@H]1COCCN1CCCC(=O)c1ccccc1 ZINC000037323417 176336859 /nfs/dbraw/zinc/33/68/59/176336859.db2.gz SOEMXAMXEVYWCJ-CYBMUJFWSA-N 0 0 247.338 2.370 10 0 BEAERN C[C@@H]1COCCN1Cc1ccc(Cl)cc1N ZINC000050442919 176337658 /nfs/dbraw/zinc/33/76/58/176337658.db2.gz DPOAXCMNZJJMAX-SECBINFHSA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)/C=C/c1ccccc1 ZINC000076366220 176345991 /nfs/dbraw/zinc/34/59/91/176345991.db2.gz VGDNLLUBPDSOED-RYYBZQDPSA-N 0 0 245.322 2.336 10 0 BEAERN C[C@@H]1COc2c(Br)cc(N)cc2N1 ZINC000062533828 176347899 /nfs/dbraw/zinc/34/78/99/176347899.db2.gz BLRVMIINAAVOES-RXMQYKEDSA-N 0 0 243.104 2.224 10 0 BEAERN C[C@@H]1C[C@@H](C(F)(F)Cl)n2nccc2N1 ZINC000015933412 176360169 /nfs/dbraw/zinc/36/01/69/176360169.db2.gz XFJYVFPOFRKCKH-RITPCOANSA-N 0 0 221.638 2.460 10 0 BEAERN C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CC(=O)[O-] ZINC000363259644 176384045 /nfs/dbraw/zinc/38/40/45/176384045.db2.gz PSIFWVVGJXWGNP-PSASIEDQSA-N 0 0 225.313 2.011 10 0 BEAERN C[C@@H]1Cc2cc([C@H](O)[C@@H]3CCCOC3)ccc2O1 ZINC000062239944 176450858 /nfs/dbraw/zinc/45/08/58/176450858.db2.gz AOJUXLIRBRJSJZ-HCKVZZMMSA-N 0 0 248.322 2.470 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000190276634 176463942 /nfs/dbraw/zinc/46/39/42/176463942.db2.gz PBIFINRIVARDEN-CABZTGNLSA-N 0 0 235.283 2.146 10 0 BEAERN Cc1cc(N)c(O)cc1-c1ccncc1 ZINC000389704958 322932046 /nfs/dbraw/zinc/93/20/46/322932046.db2.gz KREBUABTDKHSOZ-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN C[C@@]([NH3+])(CCCOCC1CCCCC1)C(=O)[O-] ZINC000052157251 176512402 /nfs/dbraw/zinc/51/24/02/176512402.db2.gz MWGPFZOYGHQGNL-CYBMUJFWSA-N 0 0 243.347 2.166 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1F ZINC000108994060 176579256 /nfs/dbraw/zinc/57/92/56/176579256.db2.gz CCWSBYKEXVUVTJ-PTRXPTGYSA-N 0 0 221.275 2.454 10 0 BEAERN C[C@H](CC(=O)Nc1cn[nH]c1)C(C)(C)C ZINC000082618923 176600660 /nfs/dbraw/zinc/60/06/60/176600660.db2.gz WKEGBHUPQLKZSO-MRVPVSSYSA-N 0 0 209.293 2.421 10 0 BEAERN C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1cccc(O)c1 ZINC000112460142 176805197 /nfs/dbraw/zinc/80/51/97/176805197.db2.gz LGZJKACSOTWYLU-AUTRQRHGSA-N 0 0 234.299 2.161 10 0 BEAERN C[C@H](NC(=O)c1ccccc1N)c1cccnc1 ZINC000035691877 176819978 /nfs/dbraw/zinc/81/99/78/176819978.db2.gz XVDWORSGVAKQIS-JTQLQIEISA-N 0 0 241.294 2.155 10 0 BEAERN C[C@H](Nc1ccc(NC(N)=O)cc1)C1CC1 ZINC000037136594 176934109 /nfs/dbraw/zinc/93/41/09/176934109.db2.gz GHPWDNUUFQEEPW-QMMMGPOBSA-N 0 0 219.288 2.388 10 0 BEAERN C[C@H](Nc1cccc(Cl)c1Cl)C(N)=O ZINC000020301175 176934968 /nfs/dbraw/zinc/93/49/68/176934968.db2.gz PHBHBHVJGQPTCU-YFKPBYRVSA-N 0 0 233.098 2.279 10 0 BEAERN C[C@H](Nc1cccc(O)c1)c1cnn(C)c1 ZINC000044495501 176935742 /nfs/dbraw/zinc/93/57/42/176935742.db2.gz LNJSLOMCIXPMCR-VIFPVBQESA-N 0 0 217.272 2.299 10 0 BEAERN C[C@H](Nc1cnn(C)c1)c1ccc(O)cc1 ZINC000035737812 176938837 /nfs/dbraw/zinc/93/88/37/176938837.db2.gz VECZHPDRZWYVLA-VIFPVBQESA-N 0 0 217.272 2.299 10 0 BEAERN C[C@H](Nc1nsnc1Cl)C1CC1 ZINC000037372402 176940601 /nfs/dbraw/zinc/94/06/01/176940601.db2.gz MUDYHDHDTNKJNJ-BYPYZUCNSA-N 0 0 203.698 2.402 10 0 BEAERN C[C@@H](Nc1ccc(Br)cn1)[C@H](C)O ZINC000307726746 177005066 /nfs/dbraw/zinc/00/50/66/177005066.db2.gz CMVCKNRHWAZAFR-RQJHMYQMSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@H](O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000044232454 177012319 /nfs/dbraw/zinc/01/23/19/177012319.db2.gz FBSVZCAODRTXRK-UWVGGRQHSA-N 0 0 206.285 2.323 10 0 BEAERN C[C@H](O)c1cc(Br)ncc1F ZINC000095829300 177016551 /nfs/dbraw/zinc/01/65/51/177016551.db2.gz SQKAOXWKWKGGRD-BYPYZUCNSA-N 0 0 220.041 2.037 10 0 BEAERN C[C@H](O)c1cccc(NC(=O)Nc2ncc[nH]2)c1 ZINC000104116083 177017067 /nfs/dbraw/zinc/01/70/67/177017067.db2.gz ONTBMOKHMXNYMG-QMMMGPOBSA-N 0 0 246.270 2.107 10 0 BEAERN C[C@H](O)c1ccccc1OCc1nccn1C ZINC000035626763 177017783 /nfs/dbraw/zinc/01/77/83/177017783.db2.gz OLKYYJBOHNVECN-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN C[C@H](O)c1nc(-c2ccc3ccccc3n2)no1 ZINC000090622216 177018126 /nfs/dbraw/zinc/01/81/26/177018126.db2.gz OHRIRGZAORGEPF-QMMMGPOBSA-N 0 0 241.250 2.338 10 0 BEAERN C[C@H](Oc1ccc(Cl)cc1)C(N)=S ZINC000041228722 177022629 /nfs/dbraw/zinc/02/26/29/177022629.db2.gz YICVHOYYVJWGIL-LURJTMIESA-N 0 0 215.705 2.393 10 0 BEAERN C[C@H](Oc1cccc(Cl)c1)c1nnc(N)o1 ZINC000051018270 177022967 /nfs/dbraw/zinc/02/29/67/177022967.db2.gz DMEBAUPNLYOXKK-LURJTMIESA-N 0 0 239.662 2.445 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1ccc2cccnc2c1 ZINC000229049043 177023057 /nfs/dbraw/zinc/02/30/57/177023057.db2.gz IPPNTYNLLIJSLN-ZJUUUORDSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1ccc2c(c1)C(=O)CCC2 ZINC000280324659 177023259 /nfs/dbraw/zinc/02/32/59/177023259.db2.gz PRYNHQIMVORORD-ZJUUUORDSA-N 0 0 234.295 2.354 10 0 BEAERN C[C@H](SC[C@H](O)CO)c1cccc(Cl)c1 ZINC000177416304 177027631 /nfs/dbraw/zinc/02/76/31/177027631.db2.gz DAXKTPPYVSETCG-GZMMTYOYSA-N 0 0 246.759 2.487 10 0 BEAERN C[C@H](c1ccc(N)cc1)N1C(=O)CCCCC1=O ZINC000035059009 177033890 /nfs/dbraw/zinc/03/38/90/177033890.db2.gz JMRJKYSIKDUHLS-SNVBAGLBSA-N 0 0 246.310 2.259 10 0 BEAERN C[C@H](c1ccco1)n1ncc(Cl)c1N ZINC000043665473 177048950 /nfs/dbraw/zinc/04/89/50/177048950.db2.gz DVZLQQYIRKLOOY-ZCFIWIBFSA-N 0 0 211.652 2.321 10 0 BEAERN C[C@H](c1nccs1)N1CCCC[C@@H]1CO ZINC000095089120 177053983 /nfs/dbraw/zinc/05/39/83/177053983.db2.gz CYTHAZKYJTZLCF-NXEZZACHSA-N 0 0 226.345 2.051 10 0 BEAERN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(N)cn1C ZINC000042270972 177080512 /nfs/dbraw/zinc/08/05/12/177080512.db2.gz XCLGUZZXSRPDSU-JQWIXIFHSA-N 0 0 249.358 2.258 10 0 BEAERN C[C@H]1CCCC[C@@H]1[N@H+](C)C(C)(C)C(=O)[O-] ZINC000042613700 177080901 /nfs/dbraw/zinc/08/09/01/177080901.db2.gz VPBVSRLICHJPHS-UWVGGRQHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CCCC[C@@H]1OCc1nnsc1N ZINC000050831660 177084251 /nfs/dbraw/zinc/08/42/51/177084251.db2.gz TWWGCIQVKBATDC-CBAPKCEASA-N 0 0 227.333 2.216 10 0 BEAERN C[C@H]1CCCC[C@@H]1c1nc(-c2ncon2)no1 ZINC000333568190 177084427 /nfs/dbraw/zinc/08/44/27/177084427.db2.gz LZRUDTHQGQJZCC-YUMQZZPRSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@H]1CCCN(C(=O)CCc2ccnn2C)CC1 ZINC000121313181 177092118 /nfs/dbraw/zinc/09/21/18/177092118.db2.gz JGHIHCZLBJWBFS-LBPRGKRZSA-N 0 0 249.358 2.001 10 0 BEAERN C[C@H]1CCCN(C(=O)CCc2cccc(N)c2)C1 ZINC000020187066 177092293 /nfs/dbraw/zinc/09/22/93/177092293.db2.gz QCLOGJAOAINVGR-LBPRGKRZSA-N 0 0 246.354 2.460 10 0 BEAERN C[C@H]1CCCN(C(=O)c2cccc(F)c2N)C1 ZINC000054206016 177095008 /nfs/dbraw/zinc/09/50/08/177095008.db2.gz HTBGMNNSWFCKRS-VIFPVBQESA-N 0 0 236.290 2.280 10 0 BEAERN C[C@H]1CCCN1C(=O)c1ccc(N)c(F)c1 ZINC000054412867 177107807 /nfs/dbraw/zinc/10/78/07/177107807.db2.gz MCOOMJAKXSMUIG-QMMMGPOBSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@H]1CCCN1C(=O)[C@H]1CCc2ccccc2N1 ZINC000037912228 177107829 /nfs/dbraw/zinc/10/78/29/177107829.db2.gz DTJAQLVNJXOHAM-SMDDNHRTSA-N 0 0 244.338 2.424 10 0 BEAERN C[C@H]1CCCC(C(=O)C(F)(F)F)=C1O ZINC000100137914 177112823 /nfs/dbraw/zinc/11/28/23/177112823.db2.gz WDJMNYHBUNCQKM-NTSWFWBYSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042494812 177120443 /nfs/dbraw/zinc/12/04/43/177120443.db2.gz AJKCBCMNYSOEAS-XQQFMLRXSA-N 0 0 238.375 2.166 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCc2ccncc21 ZINC000336559136 177123600 /nfs/dbraw/zinc/12/36/00/177123600.db2.gz YKGQMHIYLAIRBB-JQWIXIFHSA-N 0 0 230.311 2.407 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000336400897 177129205 /nfs/dbraw/zinc/12/92/05/177129205.db2.gz WFBOCDXVJQAXMO-RYUDHWBXSA-N 0 0 247.342 2.052 10 0 BEAERN C[C@H]1CCC[C@H](C)[NH+]1CC(C)(C)C(=O)[O-] ZINC000011884084 177131466 /nfs/dbraw/zinc/13/14/66/177131466.db2.gz XDDGZIBELHPAAX-UWVGGRQHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000336328241 177139441 /nfs/dbraw/zinc/13/94/41/177139441.db2.gz CJSVQCNKOSMTII-NWDGAFQWSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)Nc1ccc(=O)[nH]c1 ZINC000334184145 177139751 /nfs/dbraw/zinc/13/97/51/177139751.db2.gz CXKDPKHBJYYWBV-WCBMZHEXSA-N 0 0 220.272 2.162 10 0 BEAERN C[C@H]1CCC[C@](CO)(Nc2nccs2)C1 ZINC000053111256 177143374 /nfs/dbraw/zinc/14/33/74/177143374.db2.gz INQZAEDSTSRNDI-ONGXEEELSA-N 0 0 226.345 2.496 10 0 BEAERN C[C@H]1CCC[C@]([NH2+]CC2CC2)(C(=O)[O-])C1 ZINC000037967192 177143868 /nfs/dbraw/zinc/14/38/68/177143868.db2.gz QGIGEACZDQOXAZ-JOYOIKCWSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(F)c2)O1 ZINC000121768176 177182189 /nfs/dbraw/zinc/18/21/89/177182189.db2.gz PBLQSJNLYHSSNI-KWQFWETISA-N 0 0 223.247 2.332 10 0 BEAERN C[C@H]1CC[C@@H](Nc2ccc(C(N)=O)cc2)C1 ZINC000070642772 177194292 /nfs/dbraw/zinc/19/42/92/177194292.db2.gz LURJNCJNKFDDJP-JOYOIKCWSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@H]1CC[C@@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]2C1 ZINC000101078755 177195751 /nfs/dbraw/zinc/19/57/51/177195751.db2.gz JMMKPJPQXJTMSO-ZMLRMANQSA-N 0 0 247.294 2.201 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(O)cc2F)O1 ZINC000126795661 177197073 /nfs/dbraw/zinc/19/70/73/177197073.db2.gz NVFSJQKYBCGNPF-WRWORJQWSA-N 0 0 239.246 2.037 10 0 BEAERN C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C(=O)[O-] ZINC000104425462 177197122 /nfs/dbraw/zinc/19/71/22/177197122.db2.gz CFSGGAHSKQEESH-PJSNJIKXSA-N 0 0 239.359 2.464 10 0 BEAERN C[C@H]1CCc2cc3c(cc2[C@H](O)C1)OCCO3 ZINC000061831964 177209380 /nfs/dbraw/zinc/20/93/80/177209380.db2.gz MDCDSXQVQFATAW-JOYOIKCWSA-N 0 0 234.295 2.464 10 0 BEAERN C[C@H]1CN(C(=O)CCc2ccco2)CCS1 ZINC000171576349 177215554 /nfs/dbraw/zinc/21/55/54/177215554.db2.gz WELKQPURSZLVNN-JTQLQIEISA-N 0 0 239.340 2.176 10 0 BEAERN C[C@H]1CN(C(=O)N[C@@H]2CC=CCC2)CCS1 ZINC000077641701 177220514 /nfs/dbraw/zinc/22/05/14/177220514.db2.gz RPBMHBIMVOHWPU-WDEREUQCSA-N 0 0 240.372 2.242 10 0 BEAERN C[C@H]1CN(C(=O)Nc2ccccn2)CCS1 ZINC000171721709 177221594 /nfs/dbraw/zinc/22/15/94/177221594.db2.gz ZVAYJCHRIDKRGP-VIFPVBQESA-N 0 0 237.328 2.051 10 0 BEAERN C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)CCS1 ZINC000171576495 177225662 /nfs/dbraw/zinc/22/56/62/177225662.db2.gz IPDMYZFWRMOSRW-ZETCQYMHSA-N 0 0 244.747 2.246 10 0 BEAERN C[C@H]1CN(C(=O)c2ccoc2Cl)C[C@H](C)O1 ZINC000192392375 177229595 /nfs/dbraw/zinc/22/95/95/177229595.db2.gz VDGSKCHZEMDMLT-YUMQZZPRSA-N 0 0 243.690 2.182 10 0 BEAERN C[C@H]1CN(Cc2cc(N)ccc2Cl)CCO1 ZINC000037403002 177260930 /nfs/dbraw/zinc/26/09/30/177260930.db2.gz WGUIAISUPKENAA-VIFPVBQESA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H](O)c1ccc(N2CCCO[C@@H](C)C2)cc1 ZINC000061919550 177276942 /nfs/dbraw/zinc/27/69/42/177276942.db2.gz XAOJKSLNWUATRI-NWDGAFQWSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@H]1COCCN1Cc1ccc(Cl)cc1N ZINC000050442920 177292741 /nfs/dbraw/zinc/29/27/41/177292741.db2.gz DPOAXCMNZJJMAX-VIFPVBQESA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1ccccc1F ZINC000120787766 177298790 /nfs/dbraw/zinc/29/87/90/177298790.db2.gz CWYXYNPXYBMQKA-PHIMTYICSA-N 0 0 223.291 2.435 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1cccc(Cl)n1 ZINC000075766320 177298997 /nfs/dbraw/zinc/29/89/97/177298997.db2.gz HQNRKZLSGPILSH-AOOOYVTPSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1cnc(Cl)s1 ZINC000079325408 177299212 /nfs/dbraw/zinc/29/92/12/177299212.db2.gz MKRCKVKKJIWZQH-OCAPTIKFSA-N 0 0 246.763 2.406 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1cccnc1Cl ZINC000172667355 177299588 /nfs/dbraw/zinc/29/95/88/177299588.db2.gz YCLDKOLLOXDLJX-AOOOYVTPSA-N 0 0 240.734 2.344 10 0 BEAERN C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1 ZINC000120978274 177299673 /nfs/dbraw/zinc/29/96/73/177299673.db2.gz HSPOZEDSMWQHCR-RYUDHWBXSA-N 0 0 205.301 2.296 10 0 BEAERN C[C@@H]1C[C@H](C)N(Cc2ccccc2)CC1=O ZINC000068592965 177309322 /nfs/dbraw/zinc/30/93/22/177309322.db2.gz LLKQSLKJBCYCMG-NEPJUHHUSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ncnc(Cl)c2N)C1 ZINC000060836953 177315507 /nfs/dbraw/zinc/31/55/07/177315507.db2.gz IRBAUTPWKYJQBF-OCAPTIKFSA-N 0 0 240.738 2.195 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)Nc1cc(N)c(F)cc1F ZINC000036738885 177341037 /nfs/dbraw/zinc/34/10/37/177341037.db2.gz AUJXZGKCAPMRFU-WDSKDSINSA-N 0 0 226.226 2.142 10 0 BEAERN C[C@H]1C[C@@H]1CN(C)C(=O)c1ccc(F)c(N)c1 ZINC000104421983 177342152 /nfs/dbraw/zinc/34/21/52/177342152.db2.gz UTRAMSJBELBWQS-WCBMZHEXSA-N 0 0 236.290 2.136 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1ccccc1 ZINC000171069817 177346588 /nfs/dbraw/zinc/34/65/88/177346588.db2.gz ZRGQDRZVMJWQBV-JQWIXIFHSA-N 0 0 203.285 2.144 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000186526149 177347983 /nfs/dbraw/zinc/34/79/83/177347983.db2.gz LPDHDNOPSOASLQ-XVKPBYJWSA-N 0 0 247.323 2.276 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000075524456 177348249 /nfs/dbraw/zinc/34/82/49/177348249.db2.gz UIQZSRRQNYKVOP-ONGXEEELSA-N 0 0 241.294 2.215 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000163440412 177348308 /nfs/dbraw/zinc/34/83/08/177348308.db2.gz MYIITZGWCSHSPD-CDUCUWFYSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1 ZINC000075527763 177348674 /nfs/dbraw/zinc/34/86/74/177348674.db2.gz BLPCDQZBOHKDBW-XVKPBYJWSA-N 0 0 209.676 2.478 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccncc1C(F)(F)F ZINC000192206867 177348760 /nfs/dbraw/zinc/34/87/60/177348760.db2.gz XDHAJUJPHZKLMT-RCOVLWMOSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ncncc1Br ZINC000085465644 177350652 /nfs/dbraw/zinc/35/06/52/177350652.db2.gz KIQUBPWSXYOZFE-FSPLSTOPSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000068909729 177350619 /nfs/dbraw/zinc/35/06/19/177350619.db2.gz UOGWNDGGVLFNEC-WDSKDSINSA-N 0 0 217.194 2.316 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@@H]2C)ncn1 ZINC000302307273 177350889 /nfs/dbraw/zinc/35/08/89/177350889.db2.gz RQDYSMOMMVETHU-JXUBOQSCSA-N 0 0 218.304 2.117 10 0 BEAERN C[C@H]1C[C@H](CO)CCN1C(=O)OC(C)(C)C ZINC000141979959 177363885 /nfs/dbraw/zinc/36/38/85/177363885.db2.gz LXOVPEAYTWFSBI-VHSXEESVSA-N 0 0 229.320 2.014 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(N)cc1F ZINC000043473506 177376910 /nfs/dbraw/zinc/37/69/10/177376910.db2.gz OLAHGURCKJNYBE-POYBYMJQSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1ccc(F)cc1 ZINC000075526128 177382476 /nfs/dbraw/zinc/38/24/76/177382476.db2.gz ABMZWXVFTHQLRA-JOYOIKCWSA-N 0 0 221.275 2.283 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000052299111 177383121 /nfs/dbraw/zinc/38/31/21/177383121.db2.gz OJOQLMIOZWXTFG-TVQRCGJNSA-N 0 0 228.295 2.235 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CSc1ccccc1 ZINC000075530328 177383170 /nfs/dbraw/zinc/38/31/70/177383170.db2.gz QGGCVEZVSCEIMG-GXSJLCMTSA-N 0 0 221.325 2.303 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccnc(Cl)c1 ZINC000181854389 177384065 /nfs/dbraw/zinc/38/40/65/177384065.db2.gz FKPXHHHJVCCQDM-POYBYMJQSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000084059586 177384618 /nfs/dbraw/zinc/38/46/18/177384618.db2.gz SNEZDGWJXSSKFS-GZMMTYOYSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(F)c(F)c1F ZINC000078711680 177385069 /nfs/dbraw/zinc/38/50/69/177385069.db2.gz OBUPBERGWKLQGH-YLWLKBPMSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1Cc2cc(Br)cc(N)c2O1 ZINC000082351182 177388238 /nfs/dbraw/zinc/38/82/38/177388238.db2.gz QGRIHGNLLXBIFA-YFKPBYRVSA-N 0 0 228.089 2.355 10 0 BEAERN C[C@H]1Cc2ccccc2N1C[C@H](O)C(F)(F)F ZINC000109706460 177390633 /nfs/dbraw/zinc/39/06/33/177390633.db2.gz CQCWJMYPQUPMMG-KWQFWETISA-N 0 0 245.244 2.361 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000190276581 177397629 /nfs/dbraw/zinc/39/76/29/177397629.db2.gz PBIFINRIVARDEN-BXKDBHETSA-N 0 0 235.283 2.146 10 0 BEAERN Cc1[nH]c(=O)cc2c1C[C@@H](c1ccncc1)CC2 ZINC000027102175 177504961 /nfs/dbraw/zinc/50/49/61/177504961.db2.gz DEDDWQBSSLVMOJ-LBPRGKRZSA-N 0 0 240.306 2.351 10 0 BEAERN Cc1c(C)c(N)c2c(N)cccc2c1N ZINC000075601995 177575992 /nfs/dbraw/zinc/57/59/92/177575992.db2.gz YLCHSCHSMAUEDP-UHFFFAOYSA-N 0 0 201.273 2.203 10 0 BEAERN Cc1c(F)cccc1NCCC(=O)N(C)C ZINC000043320591 177608574 /nfs/dbraw/zinc/60/85/74/177608574.db2.gz GYEKIBUTLBYUQY-UHFFFAOYSA-N 0 0 224.279 2.024 10 0 BEAERN Cc1c(N)cccc1COC[C@H]1CCOC1 ZINC000049688905 177612940 /nfs/dbraw/zinc/61/29/40/177612940.db2.gz VSFFJXHFNAOPDG-NSHDSACASA-N 0 0 221.300 2.130 10 0 BEAERN CCn1c(C)nnc1CN(C)[C@H](C)c1ccco1 ZINC000195117894 224899195 /nfs/dbraw/zinc/89/91/95/224899195.db2.gz PITHOGAZLHBVIW-SNVBAGLBSA-N 0 0 248.330 2.392 10 0 BEAERN Cc1ccnc(NC[C@H]2CCO[C@H]2C(C)C)n1 ZINC000487684220 225322110 /nfs/dbraw/zinc/32/21/10/225322110.db2.gz GKWASTPTKHRJQA-NEPJUHHUSA-N 0 0 235.331 2.258 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)NCCc1ccsc1 ZINC000046243377 487668528 /nfs/dbraw/zinc/66/85/28/487668528.db2.gz KVPXOWCVTHPPHF-SCZZXKLOSA-N 0 0 209.314 2.063 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CCC[C@H](O)C2)cs1 ZINC000671659269 487676449 /nfs/dbraw/zinc/67/64/49/487676449.db2.gz DUBKXOUVVYDKED-QWRGUYRKSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1[nH]nc2ccnc(C(F)(F)F)c12 ZINC000575432188 487677762 /nfs/dbraw/zinc/67/77/62/487677762.db2.gz NLWVTXQTWFKBAY-UHFFFAOYSA-N 0 0 201.151 2.285 10 0 BEAERN CCOC(=O)c1c(C)cc(Br)n1C ZINC000575432184 487678116 /nfs/dbraw/zinc/67/81/16/487678116.db2.gz NEKBZRFYOPDHJR-UHFFFAOYSA-N 0 0 246.104 2.273 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C(C)(C)C(C)(C)C ZINC000399214451 262780117 /nfs/dbraw/zinc/78/01/17/262780117.db2.gz SPDBELHMWIIBCI-QWRGUYRKSA-N 0 0 241.375 2.431 10 0 BEAERN Cc1csc(C(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000324622109 262792747 /nfs/dbraw/zinc/79/27/47/262792747.db2.gz PXQWOYONMAQGGJ-SNVBAGLBSA-N 0 0 241.356 2.193 10 0 BEAERN O=C(NCCc1ccsc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250186242 487728447 /nfs/dbraw/zinc/72/84/47/487728447.db2.gz STDIJOSHQHQHSO-ZSBIGDGJSA-N 0 0 235.352 2.453 10 0 BEAERN CN(Cc1cscn1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250256785 487729498 /nfs/dbraw/zinc/72/94/98/487729498.db2.gz YZUOBXVCWHOOKL-ILWJIGKKSA-N 0 0 236.340 2.148 10 0 BEAERN CN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250436205 487732115 /nfs/dbraw/zinc/73/21/15/487732115.db2.gz SDBNTNCZPJXDFR-RNLVFQAGSA-N 0 0 221.222 2.053 10 0 BEAERN COc1cccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250452656 487732662 /nfs/dbraw/zinc/73/26/62/487732662.db2.gz XFZPBYQZWLPHJO-CLLJXQQHSA-N 0 0 245.322 2.358 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCOc2ccccc21 ZINC000250536738 487734067 /nfs/dbraw/zinc/73/40/67/487734067.db2.gz QJPPDGCRWKZQMM-ZSBIGDGJSA-N 0 0 243.306 2.458 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CCCO[C@H]1C)C(C)(C)C ZINC000250538859 487734490 /nfs/dbraw/zinc/73/44/90/487734490.db2.gz MSJHODFLZUGULX-HBNTYKKESA-N 0 0 227.348 2.352 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419289 487741894 /nfs/dbraw/zinc/74/18/94/487741894.db2.gz FNULAZXOGDXQNQ-MNOVXSKESA-N 0 0 213.321 2.218 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ncnc3c2CCCC3)C1 ZINC000675631602 487755784 /nfs/dbraw/zinc/75/57/84/487755784.db2.gz HGLMEUYAMCKTDQ-QWRGUYRKSA-N 0 0 247.342 2.071 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000681241948 487757932 /nfs/dbraw/zinc/75/79/32/487757932.db2.gz WILVELHCOAXCRQ-WOPDTQHZSA-N 0 0 241.375 2.478 10 0 BEAERN CC(=O)c1csc([C@@H](O)CC(C)C)n1 ZINC000757131623 586425512 /nfs/dbraw/zinc/42/55/12/586425512.db2.gz SFYQJPGJTCWYOI-VIFPVBQESA-N 0 0 213.302 2.425 10 0 BEAERN Nc1cccc(-c2cnn(C[C@H]3CCOC3)c2)c1 ZINC000109438807 487865402 /nfs/dbraw/zinc/86/54/02/487865402.db2.gz OEJSRNJSQLUJNA-LLVKDONJSA-N 0 0 243.310 2.169 10 0 BEAERN C[C@@H](c1ccccc1)n1cc(C(C)(C)[NH3+])nn1 ZINC000078627570 487865539 /nfs/dbraw/zinc/86/55/39/487865539.db2.gz IDWCIIJUNHQABS-JTQLQIEISA-N 0 0 230.315 2.081 10 0 BEAERN CCOc1cccc(NCc2cncnc2)c1 ZINC000054767974 487897763 /nfs/dbraw/zinc/89/77/63/487897763.db2.gz QWPYFBWNBRNIGQ-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN CC[C@@H](C)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000126016695 323002474 /nfs/dbraw/zinc/00/24/74/323002474.db2.gz GIHMNXPMTLBTEQ-MNOVXSKESA-N 0 0 227.348 2.306 10 0 BEAERN CN(C(=O)NC[C@@H]1CCCS1)C1CCC1 ZINC000127011159 323004569 /nfs/dbraw/zinc/00/45/69/323004569.db2.gz HSEQKWZITUKOPP-JTQLQIEISA-N 0 0 228.361 2.076 10 0 BEAERN C(SC1CCOCC1)[C@@H]1CCCCO1 ZINC000130697674 323011934 /nfs/dbraw/zinc/01/19/34/323011934.db2.gz YDPGTHWXLKGLHF-JTQLQIEISA-N 0 0 216.346 2.468 10 0 BEAERN COC[C@H](C)CNc1cccc(-c2nnco2)c1 ZINC000131713918 323013490 /nfs/dbraw/zinc/01/34/90/323013490.db2.gz BNYJKBNIWZTBMY-SNVBAGLBSA-N 0 0 247.298 2.431 10 0 BEAERN CC(C)C[C@H](C)OCCC(=O)N[C@@H]1C[C@@H]1C ZINC000151210254 323013527 /nfs/dbraw/zinc/01/35/27/323013527.db2.gz IJACGGLSQIKMKJ-SDDRHHMPSA-N 0 0 227.348 2.352 10 0 BEAERN CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H]1C ZINC000151210139 323013529 /nfs/dbraw/zinc/01/35/29/323013529.db2.gz IJACGGLSQIKMKJ-SRVKXCTJSA-N 0 0 227.348 2.352 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)C1(OC)CCCC1 ZINC000562352141 323017656 /nfs/dbraw/zinc/01/76/56/323017656.db2.gz IGNXMMKVHPZLST-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN CCC1(NC(=O)NC[C@@H](C)SC)CCC1 ZINC000133783685 323019907 /nfs/dbraw/zinc/01/99/07/323019907.db2.gz DEABKSNYOQZZFM-SECBINFHSA-N 0 0 230.377 2.370 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000400996777 323024856 /nfs/dbraw/zinc/02/48/56/323024856.db2.gz KUEXEYBAXUZKOM-DGCLKSJQSA-N 0 0 239.359 2.044 10 0 BEAERN CCN(C(=O)[C@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000151968835 323079254 /nfs/dbraw/zinc/07/92/54/323079254.db2.gz JGMXPSYLAMSXFD-ZYHUDNBSSA-N 0 0 234.299 2.002 10 0 BEAERN CC1CC(C(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000531239805 323086395 /nfs/dbraw/zinc/08/63/95/323086395.db2.gz MLTOFSFTOVQUKI-UHFFFAOYSA-N 0 0 244.294 2.018 10 0 BEAERN Cc1noc(NC(=O)[C@H](C)Cc2ccccc2)n1 ZINC000112043422 323165151 /nfs/dbraw/zinc/16/51/51/323165151.db2.gz OXWVORPJUUICHY-SECBINFHSA-N 0 0 245.282 2.195 10 0 BEAERN CC[C@@H]1CN(C(=O)OC(C)C)C[C@@H](CC)O1 ZINC000398765237 323192188 /nfs/dbraw/zinc/19/21/88/323192188.db2.gz GIUQENUZUAKZDE-GHMZBOCLSA-N 0 0 229.320 2.421 10 0 BEAERN COc1ccc([C@@]2(O)CCS[C@H]2C)cc1 ZINC000211606848 323195154 /nfs/dbraw/zinc/19/51/54/323195154.db2.gz GKFDHHJFWKWFML-JOYOIKCWSA-N 0 0 224.325 2.408 10 0 BEAERN COc1ccccc1[C@@]1(O)CCS[C@H]1C ZINC000211607172 323195189 /nfs/dbraw/zinc/19/51/89/323195189.db2.gz YDSHYWJFQDIFMU-JOYOIKCWSA-N 0 0 224.325 2.408 10 0 BEAERN CSCC(=O)N[C@@H](C)Cc1ccccc1F ZINC000053191889 323196934 /nfs/dbraw/zinc/19/69/34/323196934.db2.gz GJXBPOKONCNTSS-VIFPVBQESA-N 0 0 241.331 2.236 10 0 BEAERN Cc1csc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399292216 323203111 /nfs/dbraw/zinc/20/31/11/323203111.db2.gz MSYIBSKTKFNHMK-UWVGGRQHSA-N 0 0 239.340 2.042 10 0 BEAERN Cc1ccccc1CCC(=O)N[C@@H]1C[C@@H]1C ZINC000103435266 323248500 /nfs/dbraw/zinc/24/85/00/323248500.db2.gz SXDURMVMXAHABJ-WCQYABFASA-N 0 0 217.312 2.452 10 0 BEAERN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000035018976 323394733 /nfs/dbraw/zinc/39/47/33/323394733.db2.gz CRTXAEMASVASRI-QWRGUYRKSA-N 0 0 238.331 2.153 10 0 BEAERN CNc1cccc(C(=O)N[C@H](C)C2CC2)c1 ZINC000083888278 487960146 /nfs/dbraw/zinc/96/01/46/487960146.db2.gz FNHZATWQCVXPDX-SECBINFHSA-N 0 0 218.300 2.257 10 0 BEAERN CNc1c(Cl)nnc(Cl)c1Cl ZINC000143057860 323943492 /nfs/dbraw/zinc/94/34/92/323943492.db2.gz ZTUBBUZYSCOSBP-UHFFFAOYSA-N 0 0 212.467 2.479 10 0 BEAERN C[C@@H]1CCc2nc(-c3ccccc3)cc(=O)n21 ZINC000536949657 323951937 /nfs/dbraw/zinc/95/19/37/323951937.db2.gz AYXUNRLAKIOKAN-SNVBAGLBSA-N 0 0 226.279 2.418 10 0 BEAERN [NH3+]C[C@@H](c1ccc(F)cc1)C1(C(=O)[O-])CCC1 ZINC000536954567 323963162 /nfs/dbraw/zinc/96/31/62/323963162.db2.gz QKEARWHVKSKQKM-NSHDSACASA-N 0 0 237.274 2.123 10 0 BEAERN CC(C)c1noc(C[C@]2(O)CC[C@H](C)C2)n1 ZINC000536956209 323967195 /nfs/dbraw/zinc/96/71/95/323967195.db2.gz VDAOSWCSPLQWRQ-CABZTGNLSA-N 0 0 224.304 2.287 10 0 BEAERN C[C@@H]1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536956548 323967223 /nfs/dbraw/zinc/96/72/23/323967223.db2.gz ZCPBBEOXWYLSRF-RNCFNFMXSA-N 0 0 236.315 2.431 10 0 BEAERN Cn1cccc1[C@]12CCC(F)(F)C[C@H]1O2 ZINC000536957181 323968109 /nfs/dbraw/zinc/96/81/09/323968109.db2.gz BQELQFYZKHQCMO-MWLCHTKSSA-N 0 0 213.227 2.438 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2ccccc2C)C1=O ZINC000536957636 323969024 /nfs/dbraw/zinc/96/90/24/323969024.db2.gz CMJBUJLMAIKVMN-LBPRGKRZSA-N 0 0 231.295 2.327 10 0 BEAERN CCc1nc(CNC(=O)N(C)C(C)C)cs1 ZINC000122204500 324034319 /nfs/dbraw/zinc/03/43/19/324034319.db2.gz XCWRCQIARSUVRV-UHFFFAOYSA-N 0 0 241.360 2.255 10 0 BEAERN CC(C)(C)OC(=O)CSC[C@H](O)C(C)(C)C ZINC000304256928 324187135 /nfs/dbraw/zinc/18/71/35/324187135.db2.gz SIRBHYKAVYQFGY-VIFPVBQESA-N 0 0 248.388 2.468 10 0 BEAERN CC[C@H](C)N(C)C(=O)NCc1cccc(C)n1 ZINC000124008340 324607830 /nfs/dbraw/zinc/60/78/30/324607830.db2.gz XHBVZSGLEQDPTP-NSHDSACASA-N 0 0 235.331 2.330 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1c(O)cccc1F ZINC000127421032 324767420 /nfs/dbraw/zinc/76/74/20/324767420.db2.gz NKFIJTQENQZZQH-WPRPVWTQSA-N 0 0 237.274 2.450 10 0 BEAERN Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000128135510 324808469 /nfs/dbraw/zinc/80/84/69/324808469.db2.gz SHZVHLOFCDUJFP-YPMHNXCESA-N 0 0 233.311 2.179 10 0 BEAERN Cc1cc(OCCOc2ccccc2)nn1C ZINC000128374550 324831447 /nfs/dbraw/zinc/83/14/47/324831447.db2.gz PTHHYEMZYMHYML-UHFFFAOYSA-N 0 0 232.283 2.186 10 0 BEAERN CCC[C@@H](C)C(=O)NCc1cccc(OC)n1 ZINC000128990970 324904773 /nfs/dbraw/zinc/90/47/73/324904773.db2.gz WNVAABREYLQIAN-SNVBAGLBSA-N 0 0 236.315 2.143 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NCc1ccncc1 ZINC000130169521 325020762 /nfs/dbraw/zinc/02/07/62/325020762.db2.gz NTQDTRFOMSSQSD-UHFFFAOYSA-N 0 0 248.326 2.093 10 0 BEAERN CCCOCC(=O)N[C@H](CC)c1nccs1 ZINC000130648955 325076966 /nfs/dbraw/zinc/07/69/66/325076966.db2.gz CTBFSFBXVCACJO-SECBINFHSA-N 0 0 242.344 2.137 10 0 BEAERN CCOC(=O)CCCSC1CCOCC1 ZINC000130916680 325102028 /nfs/dbraw/zinc/10/20/28/325102028.db2.gz IUBHCFQIHOWBTL-UHFFFAOYSA-N 0 0 232.345 2.242 10 0 BEAERN COC[C@@H](C)CNc1ccc(NC(C)=O)cc1 ZINC000131668145 325176578 /nfs/dbraw/zinc/17/65/78/325176578.db2.gz KBSGMEMJYSJVST-JTQLQIEISA-N 0 0 236.315 2.339 10 0 BEAERN CC[C@H](SC)C(=O)NCC1(C)CCC1 ZINC000131703170 325178802 /nfs/dbraw/zinc/17/88/02/325178802.db2.gz JCTFKILQUYIDRP-VIFPVBQESA-N 0 0 215.362 2.434 10 0 BEAERN CCCNC(=O)Cc1cccc(CC)c1 ZINC000131809740 325185126 /nfs/dbraw/zinc/18/51/26/325185126.db2.gz OVCMFETVTKVTPT-UHFFFAOYSA-N 0 0 205.301 2.318 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1C(C)(C)C1(C)C ZINC000073923079 325217099 /nfs/dbraw/zinc/21/70/99/325217099.db2.gz QNFWJLGBBGQDAS-NXEZZACHSA-N 0 0 239.359 2.304 10 0 BEAERN CC[C@@H](C)c1csc(N2CCOCC2)n1 ZINC000132489181 325220863 /nfs/dbraw/zinc/22/08/63/325220863.db2.gz JNRRHHLTTFHIJD-SECBINFHSA-N 0 0 226.345 2.493 10 0 BEAERN CCc1noc(C)c1NC(=O)CCSC ZINC000133202331 325277136 /nfs/dbraw/zinc/27/71/36/325277136.db2.gz QRBUOSFKCRQBBH-UHFFFAOYSA-N 0 0 228.317 2.237 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)Cn1cccn1 ZINC000133464836 325295837 /nfs/dbraw/zinc/29/58/37/325295837.db2.gz MGUJNGMKNCTWNP-LBPRGKRZSA-N 0 0 249.358 2.310 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(OC)cc1O ZINC000075559421 325300649 /nfs/dbraw/zinc/30/06/49/325300649.db2.gz OTFXQRSGNGHMLW-CABZTGNLSA-N 0 0 249.310 2.319 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(OC)cc1O ZINC000075559416 325300917 /nfs/dbraw/zinc/30/09/17/325300917.db2.gz OTFXQRSGNGHMLW-SKDRFNHKSA-N 0 0 249.310 2.319 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccnn1C ZINC000133608574 325304367 /nfs/dbraw/zinc/30/43/67/325304367.db2.gz LJZJVIDIWYEZFL-GFCCVEGCSA-N 0 0 249.358 2.461 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)CC(C)(C)C ZINC000076366287 325342320 /nfs/dbraw/zinc/34/23/20/325342320.db2.gz FXZUMOLCXYYLSE-UWVGGRQHSA-N 0 0 213.321 2.058 10 0 BEAERN CSCCCC(=O)NCCCOCC1CC1 ZINC000134512391 325362696 /nfs/dbraw/zinc/36/26/96/325362696.db2.gz MNEYEPRJSZKEGI-UHFFFAOYSA-N 0 0 245.388 2.063 10 0 BEAERN Cc1ccc(CNCc2nnc(C)s2)o1 ZINC000134663914 325370767 /nfs/dbraw/zinc/37/07/67/325370767.db2.gz YDEYLWABTHQKSB-UHFFFAOYSA-N 0 0 223.301 2.038 10 0 BEAERN CC(C)c1cc(NC(=O)[C@H]2CC[C@H](C)O2)n[nH]1 ZINC000135063864 325391630 /nfs/dbraw/zinc/39/16/30/325391630.db2.gz VGUQPJKKSYNWCT-WCBMZHEXSA-N 0 0 237.303 2.039 10 0 BEAERN Cc1ccc(CCC(=O)N(C)CC[C@H](C)O)cc1 ZINC000135608665 325419824 /nfs/dbraw/zinc/41/98/24/325419824.db2.gz YJKFLHFRIBHYGS-ZDUSSCGKSA-N 0 0 249.354 2.157 10 0 BEAERN CC[C@H](NC(=O)C1CC(C)C1)c1ncc[nH]1 ZINC000548077854 325426806 /nfs/dbraw/zinc/42/68/06/325426806.db2.gz GZUKXKRHRKKXPC-RTBKNWGFSA-N 0 0 221.304 2.023 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1C[C@H]1C1CC1 ZINC000246384811 325561577 /nfs/dbraw/zinc/56/15/77/325561577.db2.gz BKMHFWRQOWOUEA-YNEHKIRRSA-N 0 0 243.306 2.282 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)[C@H]1C[C@H]1C1CC1 ZINC000246384808 325561587 /nfs/dbraw/zinc/56/15/87/325561587.db2.gz BKMHFWRQOWOUEA-RWMBFGLXSA-N 0 0 243.306 2.282 10 0 BEAERN COCCC1(C(=O)N[C@@H]2C[C@@H]2C)CCCC1 ZINC000154050471 326126724 /nfs/dbraw/zinc/12/67/24/326126724.db2.gz NYCJKORPHXDJOD-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN CCC[C@H](O)CNc1nc(C)cc(C(C)C)n1 ZINC000134447635 487983399 /nfs/dbraw/zinc/98/33/99/487983399.db2.gz ZKKBKFOMOLCOCZ-NSHDSACASA-N 0 0 237.347 2.481 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000112860115 488018890 /nfs/dbraw/zinc/01/88/90/488018890.db2.gz FVCYHSFOOUFRLR-SECBINFHSA-N 0 0 232.283 2.389 10 0 BEAERN Cc1cc(C(C)C)nc(N(C)CC[C@H](C)O)n1 ZINC000135625736 488047615 /nfs/dbraw/zinc/04/76/15/488047615.db2.gz GNAHPQOJTWVLLX-NSHDSACASA-N 0 0 237.347 2.116 10 0 BEAERN Cc1cc2c[nH]nc2c(Br)n1 ZINC000147806455 488057768 /nfs/dbraw/zinc/05/77/68/488057768.db2.gz HYFWPOSBCNULAW-UHFFFAOYSA-N 0 0 212.050 2.029 10 0 BEAERN O=C([O-])C[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000257791591 488089339 /nfs/dbraw/zinc/08/93/39/488089339.db2.gz RKUXQSBOLFLJID-LLVKDONJSA-N 0 0 225.332 2.363 10 0 BEAERN C[C@@H](C(=O)[O-])[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000093030288 488116889 /nfs/dbraw/zinc/11/68/89/488116889.db2.gz LGIANOFFEUUEKM-SCVCMEIPSA-N 0 0 233.311 2.025 10 0 BEAERN CCCC1(CNC(=O)CCc2ccnn2C)CC1 ZINC000129536529 488117556 /nfs/dbraw/zinc/11/75/56/488117556.db2.gz GAAFMHVVHOJHJU-UHFFFAOYSA-N 0 0 249.358 2.049 10 0 BEAERN CCOc1nccnc1N[C@H](C)c1ncc(C)o1 ZINC000683193412 488127455 /nfs/dbraw/zinc/12/74/55/488127455.db2.gz AHZSOPXHHNXBGV-SECBINFHSA-N 0 0 248.286 2.345 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000677807368 488127958 /nfs/dbraw/zinc/12/79/58/488127958.db2.gz IERHYXDTVYSLEH-VHSXEESVSA-N 0 0 231.299 2.278 10 0 BEAERN Cc1c(-c2ccc(C)cc2N)cnn1C ZINC000134873518 487540335 /nfs/dbraw/zinc/54/03/35/487540335.db2.gz ABUXCMTZDWXNLF-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CC(C)(C)CCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000673909655 487476507 /nfs/dbraw/zinc/47/65/07/487476507.db2.gz VCXHTTMCDXGTCR-WDEREUQCSA-N 0 0 227.348 2.232 10 0 BEAERN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000231739723 487472372 /nfs/dbraw/zinc/47/23/72/487472372.db2.gz ZURLPJGBLINZJQ-KXUCPTDWSA-N 0 0 212.293 2.057 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000673903802 487473560 /nfs/dbraw/zinc/47/35/60/487473560.db2.gz HAMBMDBPINJBJU-MROQNXINSA-N 0 0 239.359 2.232 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)C(C)(C)C ZINC000673904598 487474685 /nfs/dbraw/zinc/47/46/85/487474685.db2.gz BYLMIEJUZDAHMW-GMTAPVOTSA-N 0 0 227.348 2.088 10 0 BEAERN O=C(N[C@@H]1CCC[C@@H](O)C1)C1CCCCCC1 ZINC000673907692 487475669 /nfs/dbraw/zinc/47/56/69/487475669.db2.gz MMSMJSOAHUXPGA-CHWSQXEVSA-N 0 0 239.359 2.377 10 0 BEAERN CC(C)(C)CCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000673909654 487476665 /nfs/dbraw/zinc/47/66/65/487476665.db2.gz VCXHTTMCDXGTCR-QWRGUYRKSA-N 0 0 227.348 2.232 10 0 BEAERN Cn1c2ccccc2nc1N[C@@H]1CCC[C@H](O)C1 ZINC000677807657 487503590 /nfs/dbraw/zinc/50/35/90/487503590.db2.gz MNCZFKFPZNEGCX-MNOVXSKESA-N 0 0 245.326 2.289 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300224920 487504849 /nfs/dbraw/zinc/50/48/49/487504849.db2.gz PVSAMJHVSMDOLB-WCQYABFASA-N 0 0 227.348 2.464 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc2ccc(N)cc2s1 ZINC000149276895 487512390 /nfs/dbraw/zinc/51/23/90/487512390.db2.gz SKFLTKHWZGMLSH-CBAPKCEASA-N 0 0 249.339 2.468 10 0 BEAERN CCC#CC[C@H](C)C(=O)CP(=O)(OC)OC ZINC000039438963 487728294 /nfs/dbraw/zinc/72/82/94/487728294.db2.gz QGNQUBKXAXDDAO-JTQLQIEISA-N 0 0 246.243 2.481 10 0 BEAERN COc1ncccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667912329 488154219 /nfs/dbraw/zinc/15/42/19/488154219.db2.gz DUZUZSYXJSZDFC-JQWIXIFHSA-N 0 0 234.299 2.070 10 0 BEAERN Cc1cncc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000667912386 488154814 /nfs/dbraw/zinc/15/48/14/488154814.db2.gz HDTOJHBGWLIBOU-STQMWFEESA-N 0 0 218.300 2.369 10 0 BEAERN CC(C)CC(=O)N[C@H]1CNc2ccccc2C1 ZINC000019405789 488228544 /nfs/dbraw/zinc/22/85/44/488228544.db2.gz OLIQRGOGJLSLIS-GFCCVEGCSA-N 0 0 232.327 2.186 10 0 BEAERN CCCCC(=O)N[C@H]1CNc2ccccc2C1 ZINC000019392548 488228558 /nfs/dbraw/zinc/22/85/58/488228558.db2.gz ZUZVLLXFHHPETH-GFCCVEGCSA-N 0 0 232.327 2.330 10 0 BEAERN CC[C@@]1(C)CC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000399281569 488228788 /nfs/dbraw/zinc/22/87/88/488228788.db2.gz BJUQHVPHPJSPHD-AWEZNQCLSA-N 0 0 248.326 2.402 10 0 BEAERN CC1(C)C(C(=O)N[C@H]2CCC[C@@H](O)C2)C1(C)C ZINC000673903537 488310619 /nfs/dbraw/zinc/31/06/19/488310619.db2.gz FKTRWEJTOABIMQ-VHSXEESVSA-N 0 0 239.359 2.088 10 0 BEAERN Fc1cc(F)cc(NCc2cncnc2)c1 ZINC000054766990 488311049 /nfs/dbraw/zinc/31/10/49/488311049.db2.gz IJODLPJEGFGVKW-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN CCn1nccc1-c1ccc(N)cc1C ZINC000069022397 490139364 /nfs/dbraw/zinc/13/93/64/490139364.db2.gz SFAJJDVSWGAXBO-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCCCN(C)C(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000220571977 490236437 /nfs/dbraw/zinc/23/64/37/490236437.db2.gz RRCWJNMPBZDIAW-LLVKDONJSA-N 0 0 249.358 2.082 10 0 BEAERN COC(=O)CCC/C=C/C[C@H]1CCCOC1=O ZINC000222949233 490246157 /nfs/dbraw/zinc/24/61/57/490246157.db2.gz MGQNTQGLKHJKAE-FWEMWIAWSA-N 0 0 240.299 2.229 10 0 BEAERN COC[C@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000103380391 490673769 /nfs/dbraw/zinc/67/37/69/490673769.db2.gz DBKJSYVRDZMFOG-MNOVXSKESA-N 0 0 233.311 2.419 10 0 BEAERN CCN(C[C@@H](C)CO)c1ccc(F)cc1 ZINC000121322433 491102561 /nfs/dbraw/zinc/10/25/61/491102561.db2.gz AISZROYNOXPEGH-SNVBAGLBSA-N 0 0 211.280 2.280 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@H]1C[C@H]1C ZINC000132903467 491105300 /nfs/dbraw/zinc/10/53/00/491105300.db2.gz RAINZNSZWRMRHR-SVRRBLITSA-N 0 0 208.261 2.140 10 0 BEAERN CCc1c(C(=O)N[C@H]2C[C@@H]2C)cnn1CC(C)C ZINC000129611874 491114323 /nfs/dbraw/zinc/11/43/23/491114323.db2.gz MKXLLPXSAGOTDM-JQWIXIFHSA-N 0 0 249.358 2.240 10 0 BEAERN COc1ccc([C@H](C)[NH2+]C2CSC2)cc1 ZINC000215966484 491124824 /nfs/dbraw/zinc/12/48/24/491124824.db2.gz LNPSRRDMLPLGNF-VIFPVBQESA-N 0 0 223.341 2.461 10 0 BEAERN Fc1cc(Cl)ccc1CNCc1cn[nH]c1 ZINC000133047794 491145769 /nfs/dbraw/zinc/14/57/69/491145769.db2.gz AUJJPARPEOSGFD-UHFFFAOYSA-N 0 0 239.681 2.492 10 0 BEAERN Cc1cc(N[C@@]2(C)CCCOC2)nc(C)n1 ZINC000309627698 491153109 /nfs/dbraw/zinc/15/31/09/491153109.db2.gz GEURPAPDGWGWLL-LBPRGKRZSA-N 0 0 221.304 2.074 10 0 BEAERN Cc1cc(F)c(C(=O)N[C@@H]2C[C@@H]2C)cc1F ZINC000133875662 491160931 /nfs/dbraw/zinc/16/09/31/491160931.db2.gz DJOWRKHHBGMBBQ-WRWORJQWSA-N 0 0 225.238 2.411 10 0 BEAERN CCc1ccc(NC(=O)c2ccnnc2)cc1F ZINC000134027368 491161676 /nfs/dbraw/zinc/16/16/76/491161676.db2.gz RRZHTKPNSUTKRD-UHFFFAOYSA-N 0 0 245.257 2.430 10 0 BEAERN CCN[C@](C)(C(=O)OC)c1cccc(Cl)c1 ZINC000095535191 520227782 /nfs/dbraw/zinc/22/77/82/520227782.db2.gz RQMSQXZSMYUBKP-LBPRGKRZSA-N 0 0 241.718 2.338 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)c1ncc(C2OCCO2)s1 ZINC000757124841 582499139 /nfs/dbraw/zinc/49/91/39/582499139.db2.gz PQCUKSJWVYJJKE-BQBZGAKWSA-N 0 0 239.296 2.027 10 0 BEAERN Cc1nc([C@H](O)C2(C)CC2)sc1C=O ZINC000757125753 582499831 /nfs/dbraw/zinc/49/98/31/582499831.db2.gz FXPYRUYOPZBSKP-QMMMGPOBSA-N 0 0 211.286 2.098 10 0 BEAERN C[C@H](O)CCNc1ccc2c(ccn2C)c1 ZINC000757127795 582503144 /nfs/dbraw/zinc/50/31/44/582503144.db2.gz IAGBEDYBJYTIDH-JTQLQIEISA-N 0 0 218.300 2.361 10 0 BEAERN CC[C@H](O)[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153100 582536909 /nfs/dbraw/zinc/53/69/09/582536909.db2.gz NDTQXYVCYQJDRC-RYUDHWBXSA-N 0 0 228.719 2.323 10 0 BEAERN OCC1(CSCc2ccc(Cl)o2)COC1 ZINC000757167091 582547356 /nfs/dbraw/zinc/54/73/56/582547356.db2.gz ZRMPCVYKWCFWSV-UHFFFAOYSA-N 0 0 248.731 2.175 10 0 BEAERN Cc1cc(Cl)nc(N2COCC2(C)C)n1 ZINC000757165766 582548315 /nfs/dbraw/zinc/54/83/15/582548315.db2.gz LZBIOWFJNWHXJD-UHFFFAOYSA-N 0 0 227.695 2.011 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C12CCCC2 ZINC000757169094 582549183 /nfs/dbraw/zinc/54/91/83/582549183.db2.gz WXOJCDWRQAYWJJ-UWVGGRQHSA-N 0 0 241.331 2.205 10 0 BEAERN C[C@H](SCc1ccc(Cl)o1)C(N)=O ZINC000757170125 582550197 /nfs/dbraw/zinc/55/01/97/582550197.db2.gz OMHWERVKNQYBRX-YFKPBYRVSA-N 0 0 219.693 2.040 10 0 BEAERN O=C([O-])c1ccccc1C[NH2+]C1CCCC1 ZINC000010474072 582595835 /nfs/dbraw/zinc/59/58/35/582595835.db2.gz UAIHUHJAXKSZGQ-UHFFFAOYSA-N 0 0 219.284 2.417 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2C[C@H](C)C[C@@H](O)C2)C1 ZINC000401490771 533817296 /nfs/dbraw/zinc/81/72/96/533817296.db2.gz YAQKPFRVEXZGOV-FVCCEPFGSA-N 0 0 239.359 2.042 10 0 BEAERN CCO[C@H]1CCCN(c2ccc(N)cc2F)C1 ZINC000042421297 535621925 /nfs/dbraw/zinc/62/19/25/535621925.db2.gz NGPCTAIAKPXSJT-NSHDSACASA-N 0 0 238.306 2.413 10 0 BEAERN CC(C)C[C@@H](C(=O)C(F)F)C(=O)C1CC1 ZINC000379790180 582683464 /nfs/dbraw/zinc/68/34/64/582683464.db2.gz FNJPAVZIQPLJHF-MRVPVSSYSA-N 0 0 218.243 2.462 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1CCCO[C@@H]1C ZINC000249654815 535960472 /nfs/dbraw/zinc/96/04/72/535960472.db2.gz VAENFSVSDUSESJ-FVCCEPFGSA-N 0 0 239.359 2.449 10 0 BEAERN CO[C@@H](C)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114439352 518105531 /nfs/dbraw/zinc/10/55/31/518105531.db2.gz AFHNVIFZBFFLRM-GXTWGEPZSA-N 0 0 237.343 2.370 10 0 BEAERN CSc1ccc(C(=O)c2nccn2C)cc1 ZINC000082546650 519096356 /nfs/dbraw/zinc/09/63/56/519096356.db2.gz KJJBDSBNVCVVIO-UHFFFAOYSA-N 0 0 232.308 2.373 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccc(C(N)=S)cc1 ZINC000052292536 519098269 /nfs/dbraw/zinc/09/82/69/519098269.db2.gz UHBLRYZCOCSAJO-GMSGAONNSA-N 0 0 206.314 2.141 10 0 BEAERN CC(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@H](C)C1 ZINC000252475330 519730275 /nfs/dbraw/zinc/73/02/75/519730275.db2.gz YMFBJRADPJLNIL-MNOVXSKESA-N 0 0 213.321 2.075 10 0 BEAERN CC(C)c1ccc(-n2cc[nH]c2=O)cc1 ZINC000142531858 519834085 /nfs/dbraw/zinc/83/40/85/519834085.db2.gz WMTMBXUHRZGMSY-UHFFFAOYSA-N 0 0 202.257 2.289 10 0 BEAERN CCO[C@@H](C)Cn1cc(Br)cn1 ZINC000072219935 520260839 /nfs/dbraw/zinc/26/08/39/520260839.db2.gz OFEJVLQDAMYXNZ-ZETCQYMHSA-N 0 0 233.109 2.071 10 0 BEAERN CCOc1cc(CO)ccc1OCC1CC1 ZINC000020175909 520733231 /nfs/dbraw/zinc/73/32/31/520733231.db2.gz XCMJSZPXDRUAHO-UHFFFAOYSA-N 0 0 222.284 2.366 10 0 BEAERN CCOC(=O)[C@H](c1nc(C)no1)c1ccccc1 ZINC000057353580 521274499 /nfs/dbraw/zinc/27/44/99/521274499.db2.gz AHARZYAWPQTGOB-NSHDSACASA-N 0 0 246.266 2.073 10 0 BEAERN CCCc1noc(NCc2ccccn2)n1 ZINC000057353966 521592269 /nfs/dbraw/zinc/59/22/69/521592269.db2.gz OCJIMIKXODJWMO-UHFFFAOYSA-N 0 0 218.260 2.029 10 0 BEAERN CCc1ccc([C@@H](C(=O)OC)N(C)C)cc1 ZINC000095532755 524019012 /nfs/dbraw/zinc/01/90/12/524019012.db2.gz NWOLVSRCATXHNQ-LBPRGKRZSA-N 0 0 221.300 2.025 10 0 BEAERN Cc1ccc(C)c2c1NC(=O)[C@]21O[C@H](C)[C@H](C)O1 ZINC000242539022 524217231 /nfs/dbraw/zinc/21/72/31/524217231.db2.gz JMDKBWFVNOCQPB-MSRIBSCDSA-N 0 0 247.294 2.232 10 0 BEAERN Cc1cc2c(c(C)c1)NC(=O)[C@]21O[C@H](C)[C@H](C)O1 ZINC000251064638 525590727 /nfs/dbraw/zinc/59/07/27/525590727.db2.gz FOQUHWYFAKMKCW-MSRIBSCDSA-N 0 0 247.294 2.232 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178717962 534896533 /nfs/dbraw/zinc/89/65/33/534896533.db2.gz TTXFEHDFXRQYFE-NEPJUHHUSA-N 0 0 249.310 2.169 10 0 BEAERN Cc1cnc(NC(=O)C(C)(C)Br)o1 ZINC000072220072 526075815 /nfs/dbraw/zinc/07/58/15/526075815.db2.gz IJFXTCNJSIDOSQ-UHFFFAOYSA-N 0 0 247.092 2.095 10 0 BEAERN O=C1c2ccccc2C(=O)N1CC=C(F)F ZINC000238853105 527128823 /nfs/dbraw/zinc/12/88/23/527128823.db2.gz IKMXFNHLNRXSDV-UHFFFAOYSA-N 0 0 223.178 2.063 10 0 BEAERN N[C@H](c1noc(C(F)F)n1)c1ccc(F)cc1 ZINC000095532886 527393010 /nfs/dbraw/zinc/39/30/10/527393010.db2.gz UTJHWNJNVQBCTI-ZETCQYMHSA-N 0 0 243.188 2.194 10 0 BEAERN O=c1[nH]ccn1-c1cc(Cl)cc(Cl)c1 ZINC000229014801 527446520 /nfs/dbraw/zinc/44/65/20/527446520.db2.gz XEZLMOHWCNHBSM-UHFFFAOYSA-N 0 0 229.066 2.472 10 0 BEAERN COC1(C(=O)N2C[C@@H]3CCC[C@H]32)CCCCC1 ZINC000335339308 536527689 /nfs/dbraw/zinc/52/76/89/536527689.db2.gz RYJIOQRRCJMLNM-NWDGAFQWSA-N 0 0 237.343 2.347 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CCO[C@@H](C)C1 ZINC000413218029 528361095 /nfs/dbraw/zinc/36/10/95/528361095.db2.gz GLHQDTMTOWDZBB-NWDGAFQWSA-N 0 0 249.358 2.249 10 0 BEAERN CCC(C)(C)CC(=O)NC[C@@H](O)C(C)(C)C ZINC000488138924 528497421 /nfs/dbraw/zinc/49/74/21/528497421.db2.gz YBBMHSHVFXLQAG-SNVBAGLBSA-N 0 0 229.364 2.336 10 0 BEAERN CC[C@H]1CN(C(=O)OC(C)C)CCCO1 ZINC000300826387 529278293 /nfs/dbraw/zinc/27/82/93/529278293.db2.gz DVLRRZFMXFFHDS-JTQLQIEISA-N 0 0 215.293 2.032 10 0 BEAERN CC(C)CN(C(=O)[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000178188483 535011180 /nfs/dbraw/zinc/01/11/80/535011180.db2.gz QNDUIQIFKAXKLK-NEPJUHHUSA-N 0 0 227.348 2.447 10 0 BEAERN CCC(CC)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000080473698 535066585 /nfs/dbraw/zinc/06/65/85/535066585.db2.gz MRQWAPMPYONNKY-LLVKDONJSA-N 0 0 235.331 2.065 10 0 BEAERN CCCC[C@H]1CN(c2ccccc2)NC(=O)N1 ZINC000013759059 535071569 /nfs/dbraw/zinc/07/15/69/535071569.db2.gz FGTVXKACRZAANT-NSHDSACASA-N 0 0 233.315 2.280 10 0 BEAERN CCCNc1ncnc(N2CCC(C)CC2)c1N ZINC000040707654 535206196 /nfs/dbraw/zinc/20/61/96/535206196.db2.gz OIYUVSONKMNDSZ-UHFFFAOYSA-N 0 0 249.362 2.117 10 0 BEAERN CCC1(C(=O)N2C[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000334225052 535233966 /nfs/dbraw/zinc/23/39/66/535233966.db2.gz APZSSMSCVDJEFI-RYUDHWBXSA-N 0 0 237.343 2.204 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000049367908 535433017 /nfs/dbraw/zinc/43/30/17/535433017.db2.gz AWVJFMWNNKUFGY-VHSXEESVSA-N 0 0 225.288 2.190 10 0 BEAERN CCOCCN1CCCc2cc(N)ccc21 ZINC000035359024 535591168 /nfs/dbraw/zinc/59/11/68/535591168.db2.gz CECBBPAYASNZDC-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN CC[C@H]1CN(c2ccc(F)cc2N)CCO1 ZINC000036769309 536160622 /nfs/dbraw/zinc/16/06/22/536160622.db2.gz ZUYKTUWDRLULJF-JTQLQIEISA-N 0 0 224.279 2.023 10 0 BEAERN CC[C@](C)(CCO)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230176654 536184908 /nfs/dbraw/zinc/18/49/08/536184908.db2.gz CKLUYKBKBYFSIU-DMDPSCGWSA-N 0 0 227.348 2.090 10 0 BEAERN c1cc2c(o1)CC[NH2+][C@H]2[C@H]1CCCCO1 ZINC000702581440 582927413 /nfs/dbraw/zinc/92/74/13/582927413.db2.gz TUGMPXCBRHFEMD-VXGBXAGGSA-N 0 0 207.273 2.036 10 0 BEAERN CN1C(=O)COc2c(Cl)cc(Cl)cc21 ZINC000062530353 536314396 /nfs/dbraw/zinc/31/43/96/536314396.db2.gz WSLXOYHKCHYNFR-UHFFFAOYSA-N 0 0 232.066 2.349 10 0 BEAERN CN1CCOc2c(N)c(Cl)cc(Cl)c21 ZINC000062530789 536446716 /nfs/dbraw/zinc/44/67/16/536446716.db2.gz XTSRDPIQMORYGH-UHFFFAOYSA-N 0 0 233.098 2.404 10 0 BEAERN COC1CCN(c2ccc(N)c(C)c2)CC1 ZINC000057454431 536757938 /nfs/dbraw/zinc/75/79/38/536757938.db2.gz MQMBGUXYDRZMRX-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN COc1ccc(O)c(C(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000335944080 536818634 /nfs/dbraw/zinc/81/86/34/536818634.db2.gz MERCDMOYNNOJLP-JOYOIKCWSA-N 0 0 247.294 2.025 10 0 BEAERN CO[C@H](C)C(=O)C=C(O)C1CCCCC1 ZINC000725257111 538061673 /nfs/dbraw/zinc/06/16/73/538061673.db2.gz ILRJGHNFHQQUSS-SECBINFHSA-N 0 0 212.289 2.130 10 0 BEAERN CC(=O)Nc1ccc(Br)cc1C=O ZINC000215124560 566298324 /nfs/dbraw/zinc/29/83/24/566298324.db2.gz NZLRIFAEXVCEIK-UHFFFAOYSA-N 0 0 242.072 2.220 10 0 BEAERN COC(=O)c1c(Cl)onc1C(C)C ZINC000259780570 566478294 /nfs/dbraw/zinc/47/82/94/566478294.db2.gz MQWYNRXCXUGADZ-UHFFFAOYSA-N 0 0 203.625 2.238 10 0 BEAERN CC[C@H]1Nc2cccc(OC)c2C[C@@]1(C)O ZINC000685963809 566487901 /nfs/dbraw/zinc/48/79/01/566487901.db2.gz XIQKUAQAMGNTMW-CHWSQXEVSA-N 0 0 221.300 2.193 10 0 BEAERN c1cnc2nn3c(c2c1)NC[C@@H]1CCC[C@@H]13 ZINC000232464289 566490776 /nfs/dbraw/zinc/49/07/76/566490776.db2.gz PAABZYNGEHJEKN-WPRPVWTQSA-N 0 0 214.272 2.198 10 0 BEAERN C1C[C@@H]2[C@@H](C1)CNc1c3c(nn12)NCCC3 ZINC000232464307 566490900 /nfs/dbraw/zinc/49/09/00/566490900.db2.gz UIIZEGGGSLOAMY-WCBMZHEXSA-N 0 0 218.304 2.008 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@](C)(O)CO ZINC000087492869 574416967 /nfs/dbraw/zinc/41/69/67/574416967.db2.gz XCNCWOPROFTLGU-AAVRWANBSA-N 0 0 244.375 2.207 10 0 endogenous,in-man BEAERN CN(Cc1ccc(Cl)nc1)C(=O)c1cc[nH]c1 ZINC000111557457 588760625 /nfs/dbraw/zinc/76/06/25/588760625.db2.gz OXDOOBVITQIBTG-UHFFFAOYSA-N 0 0 249.701 2.335 10 0 BEAERN O=C(CC[C@H]1CCCCO1)OCC(F)(F)F ZINC000111676260 588766394 /nfs/dbraw/zinc/76/63/94/588766394.db2.gz DUGYHHNRVZVYAU-MRVPVSSYSA-N 0 0 240.221 2.441 10 0 BEAERN CC(C)(C)SCCOC(=O)C1CC1 ZINC000112764421 588815574 /nfs/dbraw/zinc/81/55/74/588815574.db2.gz VHRPCGMWCLPKKF-UHFFFAOYSA-N 0 0 202.319 2.471 10 0 BEAERN CC(C)(C)SCCOC(=O)C1CCOCC1 ZINC000112764088 588816335 /nfs/dbraw/zinc/81/63/35/588816335.db2.gz MZTNQSOYQNXESA-UHFFFAOYSA-N 0 0 246.372 2.488 10 0 BEAERN CCC(C)(CC)NC(=O)C[C@@H](C)OC ZINC000112826990 588818190 /nfs/dbraw/zinc/81/81/90/588818190.db2.gz GHKAJLJEISZYAA-SECBINFHSA-N 0 0 201.310 2.106 10 0 BEAERN Cc1nn(C)cc1C(=O)Oc1ccc(F)cc1 ZINC000113009799 588822459 /nfs/dbraw/zinc/82/24/59/588822459.db2.gz PFCLDFPQQGGRMA-UHFFFAOYSA-N 0 0 234.230 2.087 10 0 BEAERN CCn1ncnc1-c1c(C)c(C)sc1N ZINC000104924368 582459270 /nfs/dbraw/zinc/45/92/70/582459270.db2.gz PHNLKFMMYZHRJX-UHFFFAOYSA-N 0 0 222.317 2.226 10 0 BEAERN COC(=O)[C@]1(Cl)OC12CCC(C)(C)CC2 ZINC000234589779 582460575 /nfs/dbraw/zinc/46/05/75/582460575.db2.gz HCSDOENLECNVRA-NSHDSACASA-N 0 0 232.707 2.464 10 0 BEAERN Clc1cnccc1-n1ncc2ncccc21 ZINC000757122659 582497680 /nfs/dbraw/zinc/49/76/80/582497680.db2.gz UCDVGWGJGDZJFZ-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN CCCC(=O)c1nc(C)c(C2OCCO2)s1 ZINC000757123790 582498526 /nfs/dbraw/zinc/49/85/26/582498526.db2.gz KDMCDFMXAVLEBT-UHFFFAOYSA-N 0 0 241.312 2.480 10 0 BEAERN CC(=O)c1cnc([C@H](O)C2(C)CC2)s1 ZINC000757124915 582500015 /nfs/dbraw/zinc/50/00/15/582500015.db2.gz DRBUYIHIBSZDKI-QMMMGPOBSA-N 0 0 211.286 2.179 10 0 BEAERN CCC[C@@H](O)c1nc(CC)c(N)s1 ZINC000757125770 582500884 /nfs/dbraw/zinc/50/08/84/582500884.db2.gz GBIDPYAINGZQJE-SSDOTTSWSA-N 0 0 200.307 2.121 10 0 BEAERN CC(=O)c1csc([C@H](O)[C@H]2C[C@@H]2C)n1 ZINC000757126435 582500934 /nfs/dbraw/zinc/50/09/34/582500934.db2.gz HOOBCYGVCHMYBR-XWDQLLGVSA-N 0 0 211.286 2.035 10 0 BEAERN C[C@H]1O[C@]2(CCCSC2)[NH2+]CC1(C)C ZINC000757153522 582538371 /nfs/dbraw/zinc/53/83/71/582538371.db2.gz XEXVTGXWDPFJOA-KOLCDFICSA-N 0 0 215.362 2.244 10 0 BEAERN CCc1ccc(CSCCCON)o1 ZINC000757165613 582546939 /nfs/dbraw/zinc/54/69/39/582546939.db2.gz MRGGSUZNKFNMQY-UHFFFAOYSA-N 0 0 215.318 2.356 10 0 BEAERN CCc1ccc(CSC[C@@H](C)O)o1 ZINC000757168763 582549963 /nfs/dbraw/zinc/54/99/63/582549963.db2.gz CZELZPPVJIYMDU-MRVPVSSYSA-N 0 0 200.303 2.456 10 0 BEAERN CCc1ccc(CSC[C@H](O)CF)o1 ZINC000757170522 582550760 /nfs/dbraw/zinc/55/07/60/582550760.db2.gz QGLJIXWJISVBOX-MRVPVSSYSA-N 0 0 218.293 2.406 10 0 BEAERN Cc1ccc(-c2c(N)[nH]c(=S)[nH]c2=O)cc1 ZINC000757178701 582553402 /nfs/dbraw/zinc/55/34/02/582553402.db2.gz GPNKKBWEVDVPJZ-UHFFFAOYSA-N 0 0 233.296 2.029 10 0 BEAERN CCc1ccccc1[C@@H]1C[N@H+](CC)C[C@@H]1C(=O)[O-] ZINC000757189813 582555990 /nfs/dbraw/zinc/55/59/90/582555990.db2.gz KXTOALSYWLWJQZ-KBPBESRZSA-N 0 0 247.338 2.369 10 0 BEAERN CCC1CCC([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000757193482 582557773 /nfs/dbraw/zinc/55/77/73/582557773.db2.gz QZBMTXHHHSDLNA-HCWSGVFWSA-N 0 0 225.332 2.123 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1[C@H]1CCCc2ccccc21 ZINC000757194070 582558209 /nfs/dbraw/zinc/55/82/09/582558209.db2.gz VLBUJBGBQGHFQC-BFHYXJOUSA-N 0 0 245.322 2.027 10 0 BEAERN Nc1cnn(C[C@@H]2CCCC(F)(F)C2)c1 ZINC000300868650 582594331 /nfs/dbraw/zinc/59/43/31/582594331.db2.gz LNXQCSDPDLVWSJ-MRVPVSSYSA-N 0 0 215.247 2.291 10 0 BEAERN Cc1ccsc1[C@@H]1CCNc2ncnn21 ZINC000235800377 582611086 /nfs/dbraw/zinc/61/10/86/582611086.db2.gz NNLQPFAAWGTBCH-QMMMGPOBSA-N 0 0 220.301 2.053 10 0 BEAERN Cc1nc2n(n1)[C@@H](C1CCCC1)CCN2 ZINC000236035534 582636694 /nfs/dbraw/zinc/63/66/94/582636694.db2.gz NHQIOKMLBNNLIH-SNVBAGLBSA-N 0 0 206.293 2.133 10 0 BEAERN COC(=O)[C@]1(Cl)OC12CCC(C)CC2 ZINC000234589814 582641847 /nfs/dbraw/zinc/64/18/47/582641847.db2.gz MTELQWNFNSLJBM-GDRRJGKNSA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000234600559 582642099 /nfs/dbraw/zinc/64/20/99/582642099.db2.gz WYEHYWGPUYUNIV-IFFSRLJSSA-N 0 0 232.707 2.320 10 0 BEAERN CCOc1cc(C(=O)OCCOC)ccc1C ZINC000113496446 588842364 /nfs/dbraw/zinc/84/23/64/588842364.db2.gz QDWJYJBDDBDRGB-UHFFFAOYSA-N 0 0 238.283 2.197 10 0 BEAERN COC(=O)[C@@H](NC1CC1)c1ccc(Cl)cc1 ZINC000037459455 582674914 /nfs/dbraw/zinc/67/49/14/582674914.db2.gz IUZWRQXEDYTKTR-NSHDSACASA-N 0 0 239.702 2.306 10 0 BEAERN Cc1c(N)ccc(=O)n1CCC(C)(C)C ZINC000379771835 582683305 /nfs/dbraw/zinc/68/33/05/582683305.db2.gz ARQFSKZTDWBXBO-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN CC(C)C[C@H](C(=O)C(F)F)C(=O)C1CC1 ZINC000379790186 582683414 /nfs/dbraw/zinc/68/34/14/582683414.db2.gz FNJPAVZIQPLJHF-QMMMGPOBSA-N 0 0 218.243 2.462 10 0 BEAERN C[C@H](Cn1cc(N)nn1)C1CCCCC1 ZINC000379954878 582685137 /nfs/dbraw/zinc/68/51/37/582685137.db2.gz CROBGFMXRWCGTD-SECBINFHSA-N 0 0 208.309 2.077 10 0 BEAERN Nc1cccn(C2CCCCCC2)c1=O ZINC000257835176 582685896 /nfs/dbraw/zinc/68/58/96/582685896.db2.gz IMGMJQIDNPYHNP-UHFFFAOYSA-N 0 0 206.289 2.326 10 0 BEAERN CCCc1cc2ncnn2c(Br)c1 ZINC000725248228 582738806 /nfs/dbraw/zinc/73/88/06/582738806.db2.gz OWWHOWLPGIONOV-UHFFFAOYSA-N 0 0 240.104 2.444 10 0 BEAERN C[C@@H]1CCC[C@@H](n2cccc(N)c2=O)C1 ZINC000725249106 582741268 /nfs/dbraw/zinc/74/12/68/582741268.db2.gz IYVKCUWOOKBTJN-NXEZZACHSA-N 0 0 206.289 2.182 10 0 BEAERN COC[C@H](C)OC(=O)CSCCC(C)C ZINC000113680482 588849644 /nfs/dbraw/zinc/84/96/44/588849644.db2.gz GWQGVBPTQJKEJW-JTQLQIEISA-N 0 0 234.361 2.344 10 0 BEAERN COC[C@H](C)OC(=O)CSC(C)(C)C ZINC000113681358 588849786 /nfs/dbraw/zinc/84/97/86/588849786.db2.gz WYVPZGACZXGKGT-QMMMGPOBSA-N 0 0 220.334 2.096 10 0 BEAERN COC[C@@H](C)OC(=O)CSCCC(C)C ZINC000113680484 588849791 /nfs/dbraw/zinc/84/97/91/588849791.db2.gz GWQGVBPTQJKEJW-SNVBAGLBSA-N 0 0 234.361 2.344 10 0 BEAERN CS[C@@H](C)C(=O)O[C@H](C)c1cccnc1 ZINC000113684753 588850059 /nfs/dbraw/zinc/85/00/59/588850059.db2.gz YBGCFQMJELJTHZ-BDAKNGLRSA-N 0 0 225.313 2.437 10 0 BEAERN CSCCCC(=O)OC[C@@H]1CCCCO1 ZINC000127968671 582823614 /nfs/dbraw/zinc/82/36/14/582823614.db2.gz ADHWIDCSHBAMNK-JTQLQIEISA-N 0 0 232.345 2.242 10 0 BEAERN OCc1cc(Cl)nc2c1CSCC2 ZINC000725259612 582802687 /nfs/dbraw/zinc/80/26/87/582802687.db2.gz HTYPKWLQAWDDJW-UHFFFAOYSA-N 0 0 215.705 2.017 10 0 BEAERN CCCNC(=O)CCCC(=O)O[C@@H](C)C(C)C ZINC000128052223 582825246 /nfs/dbraw/zinc/82/52/46/582825246.db2.gz MDXMBJQLTUBRIY-NSHDSACASA-N 0 0 243.347 2.271 10 0 BEAERN CC(=O)c1ccc(-n2cnc(C)c2C)cn1 ZINC000148005550 582866301 /nfs/dbraw/zinc/86/63/01/582866301.db2.gz OZGHTAUMQJGPEO-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN CCOC(=O)c1nn(C2CC2)c(N)c1C1CCC1 ZINC000260610606 582880991 /nfs/dbraw/zinc/88/09/91/582880991.db2.gz RBBPMDIVYALOIP-UHFFFAOYSA-N 0 0 249.314 2.244 10 0 BEAERN OCC1CCC(Nc2ccccn2)CC1 ZINC000389390240 582881434 /nfs/dbraw/zinc/88/14/34/582881434.db2.gz VJODWPCWGLZMIY-UHFFFAOYSA-N 0 0 206.289 2.045 10 0 BEAERN CCOC(=O)c1noc([C@H](C)CC(C)C)n1 ZINC000704687507 582949895 /nfs/dbraw/zinc/94/98/95/582949895.db2.gz YWSCQQHCYAAOHT-MRVPVSSYSA-N 0 0 226.276 2.396 10 0 BEAERN CCCCCNC(=O)Nc1ccns1 ZINC000204343391 582951507 /nfs/dbraw/zinc/95/15/07/582951507.db2.gz ZLYSCQNRRGQPKH-UHFFFAOYSA-N 0 0 213.306 2.455 10 0 BEAERN O=C(C=C(O)[C@]12C[C@H]1CCCC2)C(F)F ZINC000709144757 582993345 /nfs/dbraw/zinc/99/33/45/582993345.db2.gz CUTDJPDRGHLCTE-RDDDGLTNSA-N 0 0 216.227 2.360 10 0 BEAERN CCCC[C@]1(C)O[C@@]1(Cl)C(=O)OC ZINC000394594039 582995262 /nfs/dbraw/zinc/99/52/62/582995262.db2.gz XWYNZDKELAUYTF-IUCAKERBSA-N 0 0 206.669 2.074 10 0 BEAERN CCOCCC(=O)C(C)=C(O)C(C)(C)C ZINC000395492362 583059483 /nfs/dbraw/zinc/05/94/83/583059483.db2.gz ZQKQEYANKQAQES-VIFPVBQESA-N 0 0 214.305 2.233 10 0 BEAERN COC(=O)c1ccccc1OC(=O)c1ccco1 ZINC000014777409 583099460 /nfs/dbraw/zinc/09/94/60/583099460.db2.gz AZCYHCRIWFXNKD-UHFFFAOYSA-N 0 0 246.218 2.285 10 0 BEAERN CC(C(=O)C(F)(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397625102 583103792 /nfs/dbraw/zinc/10/37/92/583103792.db2.gz SZQSDSCIXPSHQN-RITPCOANSA-N 0 0 222.206 2.369 10 0 BEAERN CC(C(=O)C(F)(F)F)=C(O)[C@H]1CC1(C)C ZINC000397625100 583103814 /nfs/dbraw/zinc/10/38/14/583103814.db2.gz SZQSDSCIXPSHQN-PHDIDXHHSA-N 0 0 222.206 2.369 10 0 BEAERN O=C1CCC[C@H](c2ccc(F)c(F)c2)N1 ZINC000214963080 583167097 /nfs/dbraw/zinc/16/70/97/583167097.db2.gz PMKJZYDRSJXWHH-SNVBAGLBSA-N 0 0 211.211 2.306 10 0 BEAERN CCCCCC[C@@H](C)NC(=O)NCC[C@@H](C)O ZINC000114818706 588884558 /nfs/dbraw/zinc/88/45/58/588884558.db2.gz UGCGBPIMNCEOMJ-VXGBXAGGSA-N 0 0 244.379 2.415 10 0 BEAERN CC[C@H]1CN(c2ccc(C=O)o2)C[C@H](CC)O1 ZINC000398649244 583637107 /nfs/dbraw/zinc/63/71/07/583637107.db2.gz YBKAMQMFSGNUJY-QWRGUYRKSA-N 0 0 237.299 2.486 10 0 BEAERN Nc1cnn(CCSc2ccccc2)c1 ZINC000050615216 584887785 /nfs/dbraw/zinc/88/77/85/584887785.db2.gz ZKRHQRCMGAKDIO-UHFFFAOYSA-N 0 0 219.313 2.258 10 0 BEAERN C[N@H+](Cc1cc(F)cc(C(=O)[O-])c1)C1CC1 ZINC000163629099 584945099 /nfs/dbraw/zinc/94/50/99/584945099.db2.gz XEHBDXPBRUBKBR-UHFFFAOYSA-N 0 0 223.247 2.118 10 0 BEAERN CC(=O)[C@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000125229086 584945934 /nfs/dbraw/zinc/94/59/34/584945934.db2.gz ZNDFVDQKGNJLDM-SNVBAGLBSA-N 0 0 224.643 2.011 10 0 BEAERN CCOC(OCC)[C@@H](C)C(=O)C1CCC1 ZINC000323806907 585029131 /nfs/dbraw/zinc/02/91/31/585029131.db2.gz HKPBXUPOIXPQFT-VIFPVBQESA-N 0 0 214.305 2.391 10 0 BEAERN CCOC(OCC)[C@@H](C)C(=O)C(F)(F)F ZINC000702915424 585029911 /nfs/dbraw/zinc/02/99/11/585029911.db2.gz UDCUXFHEPVYSTQ-LURJTMIESA-N 0 0 228.210 2.153 10 0 BEAERN CO[C@@H](C)C(=O)O[C@H](c1ccccn1)C(C)C ZINC000121322894 585044057 /nfs/dbraw/zinc/04/40/57/585044057.db2.gz WZLLYYVDKBEWBY-JQWIXIFHSA-N 0 0 237.299 2.357 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OC2CCCCC2)O1 ZINC000121354398 585086006 /nfs/dbraw/zinc/08/60/06/585086006.db2.gz ZOGYFUIQVYDSEP-GXSJLCMTSA-N 0 0 212.289 2.430 10 0 BEAERN COC[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000103357258 585096553 /nfs/dbraw/zinc/09/65/53/585096553.db2.gz LUJZMSFEKSWZFF-LLVKDONJSA-N 0 0 227.348 2.498 10 0 BEAERN CCCCC[C@@H](C)NC(=O)[C@H](C)COC ZINC000103357357 585096724 /nfs/dbraw/zinc/09/67/24/585096724.db2.gz LQZRIOSNBTWEDH-GHMZBOCLSA-N 0 0 215.337 2.354 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000103357866 585097031 /nfs/dbraw/zinc/09/70/31/585097031.db2.gz IQPUYJNPEBBTJO-GARJFASQSA-N 0 0 214.305 2.391 10 0 BEAERN CS[C@@H](C)C(=O)OCCOc1ccccc1 ZINC000103331004 585098173 /nfs/dbraw/zinc/09/81/73/585098173.db2.gz PCFKOHXOSLDWSU-JTQLQIEISA-N 0 0 240.324 2.360 10 0 BEAERN COC[C@@H](C)C(=O)OC[C@H]1CC1(Cl)Cl ZINC000103552361 585335810 /nfs/dbraw/zinc/33/58/10/585335810.db2.gz AYNKIIITIQORLH-RNFRBKRXSA-N 0 0 241.114 2.006 10 0 BEAERN COC[C@H](C)C(=O)OCC1CCCC1 ZINC000103552154 585336029 /nfs/dbraw/zinc/33/60/29/585336029.db2.gz IVKGEVRBLJAROW-VIFPVBQESA-N 0 0 200.278 2.002 10 0 BEAERN CCc1nc(COC(=O)[C@H](C)COC)cs1 ZINC000103552402 585336042 /nfs/dbraw/zinc/33/60/42/585336042.db2.gz KJWUQDOTTPUSAH-MRVPVSSYSA-N 0 0 243.328 2.031 10 0 BEAERN CSCCCN(C)C(=O)N1CCCCC1 ZINC000301040189 585706012 /nfs/dbraw/zinc/70/60/12/585706012.db2.gz YXJQPCPQKLSKQF-UHFFFAOYSA-N 0 0 230.377 2.277 10 0 BEAERN CCNc1nc([C@@H]2CCCO2)nc2[nH]ccc21 ZINC000757569652 586368006 /nfs/dbraw/zinc/36/80/06/586368006.db2.gz UMGQMMHLYVLMBH-VIFPVBQESA-N 0 0 232.287 2.193 10 0 BEAERN C[C@H](OCC1CC1)C(=O)OCC(C)(C)C ZINC000103699429 586418118 /nfs/dbraw/zinc/41/81/18/586418118.db2.gz CYUWHGUDSDEJNT-VIFPVBQESA-N 0 0 214.305 2.391 10 0 BEAERN C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(C)(C)C ZINC000103701215 586419041 /nfs/dbraw/zinc/41/90/41/586419041.db2.gz HWNJBWCPBVOBMO-VIFPVBQESA-N 0 0 243.347 2.127 10 0 BEAERN FC(F)Sc1nnc(NC2CC2)s1 ZINC000757137112 586427170 /nfs/dbraw/zinc/42/71/70/586427170.db2.gz VYUHHBITAXAFRV-UHFFFAOYSA-N 0 0 223.273 2.427 10 0 BEAERN CCCc1c(N)cnn1-c1ccc(O)cc1 ZINC000757170421 586433163 /nfs/dbraw/zinc/43/31/63/586433163.db2.gz BRNZSXYQPDLAHN-UHFFFAOYSA-N 0 0 217.272 2.113 10 0 BEAERN CCSc1cnn(-c2ccc(O)cc2)c1N ZINC000757170431 586433179 /nfs/dbraw/zinc/43/31/79/586433179.db2.gz CVUWOZNHDXNCPE-UHFFFAOYSA-N 0 0 235.312 2.272 10 0 BEAERN COCc1cc(Cl)n(-c2ccc(O)cc2)n1 ZINC000757170897 586433188 /nfs/dbraw/zinc/43/31/88/586433188.db2.gz LJBAPXVIEZCQIO-UHFFFAOYSA-N 0 0 238.674 2.378 10 0 BEAERN CCc1ccc([C@@H]2C[N@H+](CC)C[C@@H]2C(=O)[O-])cc1 ZINC000757187480 586434768 /nfs/dbraw/zinc/43/47/68/586434768.db2.gz GRUGFSGWMKGAOU-KBPBESRZSA-N 0 0 247.338 2.369 10 0 BEAERN CCOC(=O)/C=C1/CC[C@@H](C)SC1 ZINC000757189421 586435153 /nfs/dbraw/zinc/43/51/53/586435153.db2.gz HKKXXYMAXQKVLE-WSQKDGNHSA-N 0 0 200.303 2.391 10 0 BEAERN CC1(C)CC[C@H]([NH3+])c2ccc(C(=O)[O-])cc21 ZINC000757190686 586435606 /nfs/dbraw/zinc/43/56/06/586435606.db2.gz ZDWSOKBISVRTEN-NSHDSACASA-N 0 0 219.284 2.456 10 0 BEAERN CCOC(=O)/C=C(/C)c1cccc(N)c1 ZINC000757191944 586435839 /nfs/dbraw/zinc/43/58/39/586435839.db2.gz LJTUWGNLJALPLA-CLFYSBASSA-N 0 0 205.257 2.235 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)C1 ZINC000757193334 586436537 /nfs/dbraw/zinc/43/65/37/586436537.db2.gz SLYVMOFQRDZEIB-ZIAGYGMSSA-N 0 0 247.338 2.423 10 0 BEAERN CCOC(=O)CSc1cncc(C)c1 ZINC000757213229 586439537 /nfs/dbraw/zinc/43/95/37/586439537.db2.gz PBJBOALJUJVYLA-UHFFFAOYSA-N 0 0 211.286 2.045 10 0 BEAERN O=C([O-])[C@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218253 586441695 /nfs/dbraw/zinc/44/16/95/586441695.db2.gz URLBDRMTJHQOPY-ZYHUDNBSSA-N 0 0 244.294 2.088 10 0 BEAERN C[C@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)C[NH2+]1 ZINC000757232516 586443157 /nfs/dbraw/zinc/44/31/57/586443157.db2.gz IOTVRYFNVZHNNT-CABZTGNLSA-N 0 0 219.284 2.240 10 0 BEAERN Cc1sc([C@@H]2CC[NH2+]C[C@@H]2C)cc1C(=O)[O-] ZINC000757234076 586443454 /nfs/dbraw/zinc/44/34/54/586443454.db2.gz KJGICICHNSOAEH-IONNQARKSA-N 0 0 239.340 2.468 10 0 BEAERN Cc1sc([C@@H]2C[NH2+]CC[C@@H]2C)cc1C(=O)[O-] ZINC000757239251 586444217 /nfs/dbraw/zinc/44/42/17/586444217.db2.gz TWMZFUZXJBDQQU-OIBJUYFYSA-N 0 0 239.340 2.468 10 0 BEAERN C[C@@H]1[NH2+]CCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757243215 586445064 /nfs/dbraw/zinc/44/50/64/586445064.db2.gz ZWNLWZVIQUWBKZ-JOYOIKCWSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@H](C1CCC1)n1nnc2c1ncnc2Cl ZINC000757564741 586461255 /nfs/dbraw/zinc/46/12/55/586461255.db2.gz FNNNHMVJKFATQH-ZCFIWIBFSA-N 0 0 237.694 2.236 10 0 BEAERN CCc1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757567482 586461812 /nfs/dbraw/zinc/46/18/12/586461812.db2.gz NJJGQQLYDQDGPM-UHFFFAOYSA-N 0 0 204.277 2.341 10 0 BEAERN CCC[C@@H](C)n1nnc2c1ncnc2Cl ZINC000757567486 586462164 /nfs/dbraw/zinc/46/21/64/586462164.db2.gz NNBHWNSOBUZSKW-ZCFIWIBFSA-N 0 0 225.683 2.236 10 0 BEAERN CCOCc1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757567507 586462201 /nfs/dbraw/zinc/46/22/01/586462201.db2.gz NOUUOOLFMINKSW-UHFFFAOYSA-N 0 0 232.287 2.069 10 0 BEAERN O=C(CC1CCOCC1)OCc1ccoc1 ZINC000117532908 589103033 /nfs/dbraw/zinc/10/30/33/589103033.db2.gz YWVLPJKPTLVLFD-UHFFFAOYSA-N 0 0 224.256 2.140 10 0 BEAERN Nc1nc2ccc(OCCF)cc2s1 ZINC000117303840 589090228 /nfs/dbraw/zinc/09/02/28/589090228.db2.gz KUGLYZLBXUVXIW-UHFFFAOYSA-N 0 0 212.249 2.227 10 0 BEAERN CC(C)=CC(=O)OCc1ccc2c(c1)OCO2 ZINC000001597860 587695568 /nfs/dbraw/zinc/69/55/68/587695568.db2.gz MGFGPUOXDPOKKI-UHFFFAOYSA-N 0 0 234.251 2.425 10 0 BEAERN CC(=O)O[C@@H](C)C(Cl)(Cl)Cl ZINC000002016750 587730730 /nfs/dbraw/zinc/73/07/30/587730730.db2.gz YFLDUTFKTAURAE-VKHMYHEASA-N 0 0 205.468 2.308 10 0 BEAERN CC(=O)c1cccc(OC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000121410926 587804745 /nfs/dbraw/zinc/80/47/45/587804745.db2.gz WKTNUKBOAQNWPZ-ZANVPECISA-N 0 0 248.278 2.362 10 0 BEAERN CCOCCC(=O)OCc1ccc(OC)cc1 ZINC000102848176 587884489 /nfs/dbraw/zinc/88/44/89/587884489.db2.gz WXASCOWXYOOROQ-UHFFFAOYSA-N 0 0 238.283 2.165 10 0 BEAERN CCOCCC(=O)Oc1cccc(C(C)=O)c1 ZINC000102848510 587884490 /nfs/dbraw/zinc/88/44/90/587884490.db2.gz NLPMHGJPTSXIJM-UHFFFAOYSA-N 0 0 236.267 2.221 10 0 BEAERN COc1ccc([C@H]2CCCC(=O)N2)cc1OC ZINC000104833300 588042962 /nfs/dbraw/zinc/04/29/62/588042962.db2.gz ZOWKNXKUARPYCD-SNVBAGLBSA-N 0 0 235.283 2.045 10 0 BEAERN CCCC(=O)NCC(=O)OC1CCCCCC1 ZINC000105762146 588221929 /nfs/dbraw/zinc/22/19/29/588221929.db2.gz BYMYCVMRZOUFIB-UHFFFAOYSA-N 0 0 241.331 2.169 10 0 BEAERN CCCOCCOC(=O)c1ccc(C)o1 ZINC000107414542 588362890 /nfs/dbraw/zinc/36/28/90/588362890.db2.gz UTVROAUUDMIRCJ-UHFFFAOYSA-N 0 0 212.245 2.171 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1 ZINC000109062794 588515518 /nfs/dbraw/zinc/51/55/18/588515518.db2.gz MYTSGBHWLLYISB-NWDGAFQWSA-N 0 0 241.294 2.460 10 0 BEAERN Cc1ccccc1C(=O)O[C@H]1C(=O)OCC1(C)C ZINC000109188028 588530825 /nfs/dbraw/zinc/53/08/25/588530825.db2.gz KFSUSSBBAKPLNN-NSHDSACASA-N 0 0 248.278 2.103 10 0 BEAERN CCOc1ccccc1C(=O)OCC(=O)C1CC1 ZINC000109367262 588556426 /nfs/dbraw/zinc/55/64/26/588556426.db2.gz NKHLQJQHGFURHE-UHFFFAOYSA-N 0 0 248.278 2.221 10 0 BEAERN Cc1ccc(CCC(=O)OCC(=O)C2CC2)cc1 ZINC000109368056 588556868 /nfs/dbraw/zinc/55/68/68/588556868.db2.gz KOVUPIZEGAJBLM-UHFFFAOYSA-N 0 0 246.306 2.450 10 0 BEAERN Cc1ccc(F)cc1C(=O)OCC(=O)C1CC1 ZINC000109369240 588556994 /nfs/dbraw/zinc/55/69/94/588556994.db2.gz XVFBLWLBOBCSNN-UHFFFAOYSA-N 0 0 236.242 2.270 10 0 BEAERN CCCCOCC(=O)O[C@@H]1CCC[C@H](OC)C1 ZINC000118188231 589160911 /nfs/dbraw/zinc/16/09/11/589160911.db2.gz ZNWOZKFJWXZWCD-NWDGAFQWSA-N 0 0 244.331 2.304 10 0 BEAERN CC1(C)CCC(O)=C(C(=O)C(F)F)C1 ZINC000203558600 589247045 /nfs/dbraw/zinc/24/70/45/589247045.db2.gz FTHAZQOKUWDYGP-LURJTMIESA-N 0 0 204.216 2.216 10 0 BEAERN CCCC(=O)NCC(=O)O[C@H](C)c1ccccc1 ZINC000120236309 589393847 /nfs/dbraw/zinc/39/38/47/589393847.db2.gz POMLQBIXOGTSEK-LLVKDONJSA-N 0 0 249.310 2.207 10 0 BEAERN COc1ccc(C(=O)OCC(F)(F)F)cc1 ZINC000120290894 589400964 /nfs/dbraw/zinc/40/09/64/589400964.db2.gz UZJTXJPBVRSHIJ-UHFFFAOYSA-N 0 0 234.173 2.414 10 0 BEAERN CN(Cc1ccc(Cl)nc1)C(=O)C1(C)CC1 ZINC000120618328 589445418 /nfs/dbraw/zinc/44/54/18/589445418.db2.gz KJNFZPSYPBGHBM-UHFFFAOYSA-N 0 0 238.718 2.494 10 0 BEAERN O=C(O[C@H]1CCOC1)c1cccc2ncccc21 ZINC000120750387 589462166 /nfs/dbraw/zinc/46/21/66/589462166.db2.gz XJDXXNSRABCTSK-JTQLQIEISA-N 0 0 243.262 2.181 10 0 BEAERN CC/C=C/CCOC(=O)/C=C/c1ccncn1 ZINC000120967801 589482639 /nfs/dbraw/zinc/48/26/39/589482639.db2.gz SLKHIYGYZUQSPE-FZWLCVONSA-N 0 0 232.283 2.389 10 0 BEAERN CCOCCCCOC(=O)C[C@@H]1CCCCO1 ZINC000121606470 589520529 /nfs/dbraw/zinc/52/05/29/589520529.db2.gz ZYUXDNJEZJWSEA-LBPRGKRZSA-N 0 0 244.331 2.306 10 0 BEAERN C[C@H](OC(=O)C=C1CCC1)C1CCOCC1 ZINC000122197319 589561939 /nfs/dbraw/zinc/56/19/39/589561939.db2.gz RPYVWIOAFWEKJZ-JTQLQIEISA-N 0 0 224.300 2.455 10 0 BEAERN FC(F)n1ccnc1CNCc1ccoc1 ZINC000122232393 589567355 /nfs/dbraw/zinc/56/73/55/589567355.db2.gz IKEUVEKXZCXTKJ-UHFFFAOYSA-N 0 0 227.214 2.161 10 0 BEAERN CC(C)(C)COC(=O)[C@H]1CCCCO1 ZINC000122249789 589573032 /nfs/dbraw/zinc/57/30/32/589573032.db2.gz KMIWXXAYWMAYSW-SECBINFHSA-N 0 0 200.278 2.145 10 0 BEAERN Cn1cncc1CNc1ccnc(Cl)c1 ZINC000122654089 589613918 /nfs/dbraw/zinc/61/39/18/589613918.db2.gz LSECZBQWZUSJON-UHFFFAOYSA-N 0 0 222.679 2.081 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)c1cccc(F)n1 ZINC000122998317 589648207 /nfs/dbraw/zinc/64/82/07/589648207.db2.gz VHIHFVGXCAZTRU-VIFPVBQESA-N 0 0 224.279 2.243 10 0 BEAERN C[C@@H](NCc1ccoc1)C(=O)OC(C)(C)C ZINC000123563691 589754221 /nfs/dbraw/zinc/75/42/21/589754221.db2.gz YYEBVSXUAFLQLW-SECBINFHSA-N 0 0 225.288 2.099 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCc2cccs2)O1 ZINC000123685938 589770481 /nfs/dbraw/zinc/77/04/81/589770481.db2.gz ZABJURMDXZGUFB-MWLCHTKSSA-N 0 0 240.324 2.401 10 0 BEAERN CNC(=S)NCC[C@@H]1CCC[C@H](C)C1 ZINC000123839635 589826504 /nfs/dbraw/zinc/82/65/04/589826504.db2.gz HNMKMMOBROBAQK-UWVGGRQHSA-N 0 0 214.378 2.297 10 0 BEAERN C[S@](=O)CCNc1ccc2ccccc2n1 ZINC000124011241 589902913 /nfs/dbraw/zinc/90/29/13/589902913.db2.gz YEXYYQOOLLZDPZ-MRXNPFEDSA-N 0 0 234.324 2.025 10 0 BEAERN C[S@@](=O)CCNc1nccc2sccc21 ZINC000124021585 589904840 /nfs/dbraw/zinc/90/48/40/589904840.db2.gz MUSNUEQSGAMULX-HNNXBMFYSA-N 0 0 240.353 2.087 10 0 BEAERN CC[C@@H](C)COC(=O)c1cnn2ccc(C)nc12 ZINC000124318594 589974556 /nfs/dbraw/zinc/97/45/56/589974556.db2.gz QMGYZCXNILFQSX-SECBINFHSA-N 0 0 247.298 2.241 10 0 BEAERN CC(C)(C)SCC(=O)NC[C@@]1(C)CCCO1 ZINC000124369159 589982107 /nfs/dbraw/zinc/98/21/07/589982107.db2.gz KAVNHULHQPBXRZ-GFCCVEGCSA-N 0 0 245.388 2.203 10 0 BEAERN CSCCCCNC(=O)c1ccc(F)nc1 ZINC000124537678 590048144 /nfs/dbraw/zinc/04/81/44/590048144.db2.gz VMJDPQNADGGISI-UHFFFAOYSA-N 0 0 242.319 2.094 10 0 BEAERN COC(=O)C1(C(=O)OC2CCCCCC2)CC1 ZINC000124666296 590071149 /nfs/dbraw/zinc/07/11/49/590071149.db2.gz KKHRWRVPLUROJK-UHFFFAOYSA-N 0 0 240.299 2.206 10 0 BEAERN COc1ccccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000124787999 590085720 /nfs/dbraw/zinc/08/57/20/590085720.db2.gz BPSVEYZYDCRNST-CABZTGNLSA-N 0 0 236.267 2.168 10 0 BEAERN CCCCN(C)c1ccc([C@H](C)O)cn1 ZINC000124898000 590098143 /nfs/dbraw/zinc/09/81/43/590098143.db2.gz KYKKBSWUMHMXIV-JTQLQIEISA-N 0 0 208.305 2.371 10 0 BEAERN CC(=O)O[C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000125002739 590111954 /nfs/dbraw/zinc/11/19/54/590111954.db2.gz MFSMEKVLPBDQPQ-WDEREUQCSA-N 0 0 214.305 2.389 10 0 BEAERN CCNC(=S)N[C@H](CC)c1nccs1 ZINC000125191558 590151377 /nfs/dbraw/zinc/15/13/77/590151377.db2.gz DVMQYHAYTUMUHX-SSDOTTSWSA-N 0 0 229.374 2.078 10 0 BEAERN CCOCC(COCC)OC(=O)CC(C)C ZINC000125192028 590151662 /nfs/dbraw/zinc/15/16/62/590151662.db2.gz MXDDTGOYOLZWRF-UHFFFAOYSA-N 0 0 232.320 2.017 10 0 BEAERN CCOCCCNC(=S)NC[C@H](C)C(C)C ZINC000125369471 590162707 /nfs/dbraw/zinc/16/27/07/590162707.db2.gz DLCRMHXLIJUFCZ-NSHDSACASA-N 0 0 246.420 2.169 10 0 BEAERN O=C(/C=C/c1cnc2ccccc2n1)OCCF ZINC000125587916 590171585 /nfs/dbraw/zinc/17/15/85/590171585.db2.gz XHPZQLHPLYEXEW-AATRIKPKSA-N 0 0 246.241 2.156 10 0 BEAERN COc1cccc([C@@H]2C[C@H]2C(=O)OCCF)c1 ZINC000125601123 590173587 /nfs/dbraw/zinc/17/35/87/590173587.db2.gz MJAISBCJKVGTES-NWDGAFQWSA-N 0 0 238.258 2.311 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)Nc1conc1C ZINC000888730922 590202971 /nfs/dbraw/zinc/20/29/71/590202971.db2.gz UXUSMWQZXZDLDI-IUCAKERBSA-N 0 0 223.276 2.293 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccnc2Cl)O1 ZINC000126463036 590312873 /nfs/dbraw/zinc/31/28/73/590312873.db2.gz VQIJQEQYSRBHPP-APPZFPTMSA-N 0 0 240.690 2.241 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2cccnc2Cl)O1 ZINC000126462819 590313601 /nfs/dbraw/zinc/31/36/01/590313601.db2.gz VQIJQEQYSRBHPP-IONNQARKSA-N 0 0 240.690 2.241 10 0 BEAERN CCCC[C@H](C)OC(=O)CCc1cnn(C)c1 ZINC000126595695 590358899 /nfs/dbraw/zinc/35/88/99/590358899.db2.gz CKZCISVBHYWGTD-NSHDSACASA-N 0 0 238.331 2.475 10 0 BEAERN CCCC[C@@H](C)OC(=O)[C@@H](C)CC(=O)OC ZINC000126825640 590462490 /nfs/dbraw/zinc/46/24/90/590462490.db2.gz ILVNKYJUOXSDNL-VHSXEESVSA-N 0 0 230.304 2.308 10 0 BEAERN CCc1cccc(CC(=O)OCC(=O)C2CC2)c1 ZINC000126834485 590463832 /nfs/dbraw/zinc/46/38/32/590463832.db2.gz GHKQPHLPYQGIIC-UHFFFAOYSA-N 0 0 246.306 2.314 10 0 BEAERN COc1cccc(-n2ccnc2)c1C(C)=O ZINC000126880138 590480325 /nfs/dbraw/zinc/48/03/25/590480325.db2.gz GDLZUUCDPCDTPX-UHFFFAOYSA-N 0 0 216.240 2.084 10 0 BEAERN Cc1nn(C)c(C)c1CC(=O)OC1(C)CCC1 ZINC000126942975 590511936 /nfs/dbraw/zinc/51/19/36/590511936.db2.gz BYQMPTFGNRSBOJ-UHFFFAOYSA-N 0 0 236.315 2.065 10 0 BEAERN Cc1ccc(CN(C)C(=O)N2CCCC2)o1 ZINC000126990919 590527665 /nfs/dbraw/zinc/52/76/65/590527665.db2.gz YIMUHBNRNNGLGZ-UHFFFAOYSA-N 0 0 222.288 2.236 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)nc2)O1 ZINC000127134748 590573827 /nfs/dbraw/zinc/57/38/27/590573827.db2.gz QYRJWRCZFJSHNE-APPZFPTMSA-N 0 0 240.690 2.241 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)O[C@H](C)C(C)C ZINC000127190562 590589146 /nfs/dbraw/zinc/58/91/46/590589146.db2.gz XCSBKSGVDCHJQH-SNVBAGLBSA-N 0 0 224.304 2.238 10 0 BEAERN CC(C)OC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000127193159 590589210 /nfs/dbraw/zinc/58/92/10/590589210.db2.gz BNKZWTLQOGSYFY-QWRGUYRKSA-N 0 0 227.304 2.175 10 0 BEAERN Cc1csc(CCNC(=O)OC(C)C)n1 ZINC000127352686 590624886 /nfs/dbraw/zinc/62/48/86/590624886.db2.gz JWVAEMLAPQBZAN-UHFFFAOYSA-N 0 0 228.317 2.129 10 0 BEAERN CO[C@@H](C)CCOC(=O)C(C1CC1)C1CC1 ZINC000127531644 590701632 /nfs/dbraw/zinc/70/16/32/590701632.db2.gz WTMRERYVZSMOHV-VIFPVBQESA-N 0 0 226.316 2.391 10 0 BEAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)OCC(F)(F)F ZINC000127537141 590701918 /nfs/dbraw/zinc/70/19/18/590701918.db2.gz PLNVXEFOJUWYSK-HTRCEHHLSA-N 0 0 238.205 2.097 10 0 BEAERN COC(=O)C[C@@H](C)OC(=O)C1=CCCCCC1 ZINC000127828227 590795156 /nfs/dbraw/zinc/79/51/56/590795156.db2.gz XQBSKVKXFZWQEY-SNVBAGLBSA-N 0 0 240.299 2.372 10 0 BEAERN CCCCCC[C@@H](C)NC(=O)N(C)[C@@H](C)CO ZINC000127825850 590795405 /nfs/dbraw/zinc/79/54/05/590795405.db2.gz KZRRJEBSROEMHE-NEPJUHHUSA-N 0 0 244.379 2.368 10 0 BEAERN CC(C)NC(=S)N1C[C@@H](C)CC[C@H]1C ZINC000127947041 590849258 /nfs/dbraw/zinc/84/92/58/590849258.db2.gz MHZQBBHRJWQNLJ-VHSXEESVSA-N 0 0 214.378 2.390 10 0 BEAERN Cc1ccn2ncc(C(=O)O[C@H](C)C(C)C)c2n1 ZINC000128024054 590879887 /nfs/dbraw/zinc/87/98/87/590879887.db2.gz HIOIWBNJMHPCKX-SNVBAGLBSA-N 0 0 247.298 2.239 10 0 BEAERN COc1ccc([C@@H]2CCCC(=O)N2)cc1F ZINC000210731801 590962004 /nfs/dbraw/zinc/96/20/04/590962004.db2.gz GEMVPVXWRXBTIO-JTQLQIEISA-N 0 0 223.247 2.176 10 0 BEAERN C=COCCOC(=O)c1cccc(COC)c1 ZINC000128357251 591003589 /nfs/dbraw/zinc/00/35/89/591003589.db2.gz ISGNLZCTBMUAFB-UHFFFAOYSA-N 0 0 236.267 2.150 10 0 BEAERN C=COCCOC(=O)CCc1ccccc1 ZINC000128370520 591011452 /nfs/dbraw/zinc/01/14/52/591011452.db2.gz OTORDNBXJXUYQG-UHFFFAOYSA-N 0 0 220.268 2.323 10 0 BEAERN C=COCCOC(=O)c1ccccc1F ZINC000128378354 591014025 /nfs/dbraw/zinc/01/40/25/591014025.db2.gz JZWRVOLIIXDVRZ-UHFFFAOYSA-N 0 0 210.204 2.143 10 0 BEAERN C=COCCOC(=O)c1cccc(F)c1F ZINC000128384785 591015951 /nfs/dbraw/zinc/01/59/51/591015951.db2.gz ZJGYTRMRLFRIQF-UHFFFAOYSA-N 0 0 228.194 2.282 10 0 BEAERN O=C1CCN[C@H]1c1ccc(Br)cc1 ZINC000211077621 591112335 /nfs/dbraw/zinc/11/23/35/591112335.db2.gz OOTMVHBDYUYMHQ-JTQLQIEISA-N 0 0 240.100 2.053 10 0 BEAERN O=C(/C=C\c1ccco1)Nc1ccc(CO)cc1 ZINC000211213070 591147875 /nfs/dbraw/zinc/14/78/75/591147875.db2.gz UUCDZZBYZRRLFI-FPLPWBNLSA-N 0 0 243.262 2.424 10 0 BEAERN C[C@@H](O)c1ccn(Cc2cccc(Cl)n2)n1 ZINC000128685588 591150596 /nfs/dbraw/zinc/15/05/96/591150596.db2.gz NWTWBHSCDJQCKB-MRVPVSSYSA-N 0 0 237.690 2.033 10 0 BEAERN C[C@@H](O)c1ccn(Cc2cccc(F)c2F)n1 ZINC000128755129 591157338 /nfs/dbraw/zinc/15/73/38/591157338.db2.gz RGANNWUUJANBKZ-MRVPVSSYSA-N 0 0 238.237 2.263 10 0 BEAERN COc1ccc(CCn2ccc([C@H](C)O)n2)cc1 ZINC000128919060 591177170 /nfs/dbraw/zinc/17/71/70/591177170.db2.gz FMCZKYZTFQGBSY-NSHDSACASA-N 0 0 246.310 2.188 10 0 BEAERN C[C@H](O)c1ccc(OCc2ccn(C)n2)cc1 ZINC000211636793 591208896 /nfs/dbraw/zinc/20/88/96/591208896.db2.gz IVRAIXVVFLQAJK-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN Cc1ccccc1C[C@@H](C)NC(=O)n1ccnc1 ZINC000129902867 591418309 /nfs/dbraw/zinc/41/83/09/591418309.db2.gz WVSXYDHYBMBDAV-GFCCVEGCSA-N 0 0 243.310 2.380 10 0 BEAERN O=C(/C=C/c1cccnc1)OCc1cncs1 ZINC000129998718 591427608 /nfs/dbraw/zinc/42/76/08/591427608.db2.gz GQOOWUAAEXNFJV-ONEGZZNKSA-N 0 0 246.291 2.295 10 0 BEAERN CCCNC(=S)N1CC[C@H](C(C)C)C1 ZINC000130078208 591434314 /nfs/dbraw/zinc/43/43/14/591434314.db2.gz MVQQDSRZOGEUOF-JTQLQIEISA-N 0 0 214.378 2.249 10 0 BEAERN CO[C@@H](C)CCOC(=O)/C=C/c1cccnc1 ZINC000130232728 591448861 /nfs/dbraw/zinc/44/88/61/591448861.db2.gz YDUUBDISSRCWLU-QRGHLMKCSA-N 0 0 235.283 2.063 10 0 BEAERN C[C@@H](O)c1ccc(N(C)Cc2ccco2)nc1 ZINC000213228942 591455394 /nfs/dbraw/zinc/45/53/94/591455394.db2.gz AVZAVLKQHABFGY-SNVBAGLBSA-N 0 0 232.283 2.364 10 0 BEAERN O=C(/C=C/c1cccnc1)OC1CCC1 ZINC000130517055 591476189 /nfs/dbraw/zinc/47/61/89/591476189.db2.gz FQZRCRAYHPJUAL-VOTSOKGWSA-N 0 0 203.241 2.191 10 0 BEAERN CCOCC(=O)O[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000131140812 591559786 /nfs/dbraw/zinc/55/97/86/591559786.db2.gz ZUAIGWOSPIYYFS-GHMZBOCLSA-N 0 0 244.331 2.160 10 0 BEAERN CCc1cccc(OC(=O)C[C@H]2COC(=O)C2)c1 ZINC000131181662 591566846 /nfs/dbraw/zinc/56/68/46/591566846.db2.gz XWBORSKUZOXXDJ-NSHDSACASA-N 0 0 248.278 2.108 10 0 BEAERN CSC[C@@H](C)NC(=O)CSC(C)(C)C ZINC000131220580 591573185 /nfs/dbraw/zinc/57/31/85/591573185.db2.gz KMPFVGSKIHRPJR-MRVPVSSYSA-N 0 0 235.418 2.386 10 0 BEAERN CCC(=CC(=O)N1[C@H](C)COC[C@@H]1C)CC ZINC000131281690 591584416 /nfs/dbraw/zinc/58/44/16/591584416.db2.gz KSJNIVUAXKZEMC-PHIMTYICSA-N 0 0 225.332 2.369 10 0 BEAERN CCC(=CC(=O)N1[C@H](C)COC[C@H]1C)CC ZINC000131282120 591584623 /nfs/dbraw/zinc/58/46/23/591584623.db2.gz KSJNIVUAXKZEMC-GHMZBOCLSA-N 0 0 225.332 2.369 10 0 BEAERN COC[C@H](C)CNc1ccc(OC)c(OC)c1 ZINC000131679256 591637395 /nfs/dbraw/zinc/63/73/95/591637395.db2.gz ACMWAAWZEQHYQI-SNVBAGLBSA-N 0 0 239.315 2.398 10 0 BEAERN Cc1cc(OC(=O)c2cnn(C)c2)ccc1F ZINC000131755051 591651187 /nfs/dbraw/zinc/65/11/87/591651187.db2.gz QSAIZIWKVMGBMV-UHFFFAOYSA-N 0 0 234.230 2.087 10 0 BEAERN COC[C@H](OC(=O)/C=C/c1ccco1)C1CC1 ZINC000131773632 591653607 /nfs/dbraw/zinc/65/36/07/591653607.db2.gz PJRSBKUJMWDQJH-SYTKJHMZSA-N 0 0 236.267 2.261 10 0 BEAERN COC[C@@H](OC(=O)C[C@H]1C=CCC1)C1CC1 ZINC000131886193 591675867 /nfs/dbraw/zinc/67/58/67/591675867.db2.gz SRFHYVVSUFUBDT-CMPLNLGQSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@H](OC(=O)c1ccc(F)cc1)C1CC1 ZINC000132037160 591684647 /nfs/dbraw/zinc/68/46/47/591684647.db2.gz ABHGMMOSKVJNCO-LBPRGKRZSA-N 0 0 238.258 2.408 10 0 BEAERN CO[C@@H](C)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000132247404 591696090 /nfs/dbraw/zinc/69/60/90/591696090.db2.gz WHXNCLDAAJNNQK-BDAKNGLRSA-N 0 0 248.282 2.202 10 0 BEAERN Cc1cncc(C(=O)OC2(C3CC3)CC2)c1 ZINC000132436836 591708290 /nfs/dbraw/zinc/70/82/90/591708290.db2.gz NDPSUHZGELTJKK-UHFFFAOYSA-N 0 0 217.268 2.489 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@H]1CCCCO1 ZINC000132628232 591726058 /nfs/dbraw/zinc/72/60/58/591726058.db2.gz DZGLPJLWRIFCLQ-NXEZZACHSA-N 0 0 200.278 2.143 10 0 BEAERN CS[C@@H](C)C(=O)OCc1nc(C)c(C)o1 ZINC000132745743 591734636 /nfs/dbraw/zinc/73/46/36/591734636.db2.gz POOSIFDTRQTICK-QMMMGPOBSA-N 0 0 229.301 2.086 10 0 BEAERN Cc1ccc(F)c(-c2cc(N)n[nH]2)c1F ZINC000214712113 591738446 /nfs/dbraw/zinc/73/84/46/591738446.db2.gz KXFUXQVHYQLINR-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN CCc1csc(NCC[C@H](C)[S@@](C)=O)n1 ZINC000133105146 591765668 /nfs/dbraw/zinc/76/56/68/591765668.db2.gz FRNVPWGKFLHZDT-AYVTZFPOSA-N 0 0 246.401 2.275 10 0 BEAERN C[C@@H](NC(=O)c1cccc(F)n1)C(C)(C)C ZINC000133666283 591845941 /nfs/dbraw/zinc/84/59/41/591845941.db2.gz SIHJJIPCHUBLOB-MRVPVSSYSA-N 0 0 224.279 2.385 10 0 BEAERN CCc1nc(Cn2ccc([C@@H](C)O)n2)cs1 ZINC000133709356 591850319 /nfs/dbraw/zinc/85/03/19/591850319.db2.gz SNVHHBPGVUMEGD-MRVPVSSYSA-N 0 0 237.328 2.004 10 0 BEAERN C[C@@H](O)c1ccn(Cc2ccc(F)cc2)n1 ZINC000133731420 591851294 /nfs/dbraw/zinc/85/12/94/591851294.db2.gz PLVKKZLOTXGEDL-SECBINFHSA-N 0 0 220.247 2.124 10 0 BEAERN C[C@H](O)c1ccn(Cc2cccnc2Cl)n1 ZINC000133736202 591851446 /nfs/dbraw/zinc/85/14/46/591851446.db2.gz HKVAUVIIHQKBHY-QMMMGPOBSA-N 0 0 237.690 2.033 10 0 BEAERN C[C@H](O)c1ccn(Cc2cccc(F)c2)n1 ZINC000133775900 591855499 /nfs/dbraw/zinc/85/54/99/591855499.db2.gz QWJMTKFWURFGHJ-VIFPVBQESA-N 0 0 220.247 2.124 10 0 BEAERN CCc1nnc(NCc2ccoc2)s1 ZINC000134426612 591926982 /nfs/dbraw/zinc/92/69/82/591926982.db2.gz WINGNUKZNKIRGK-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN Cc1cccnc1NC(=O)c1ccc(F)cc1N ZINC000134454468 591929368 /nfs/dbraw/zinc/92/93/68/591929368.db2.gz JGBRWVGTZZFXAR-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1c[nH]nc1NC(=O)CCc1ccc(F)cc1 ZINC000134681679 591946447 /nfs/dbraw/zinc/94/64/47/591946447.db2.gz NBHYOTSOCJDWEN-UHFFFAOYSA-N 0 0 247.273 2.429 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1c(F)cccc1F ZINC000134677363 591946905 /nfs/dbraw/zinc/94/69/05/591946905.db2.gz IDNYIZKPJIFNPR-UHFFFAOYSA-N 0 0 237.209 2.249 10 0 BEAERN Cc1nnc([C@H](C)NCc2ccoc2)s1 ZINC000134999876 591968551 /nfs/dbraw/zinc/96/85/51/591968551.db2.gz ZSAGNYVBLLGFCI-ZETCQYMHSA-N 0 0 223.301 2.290 10 0 BEAERN CC(=O)CCN(C)C(=O)c1cccc2[nH]ccc21 ZINC000135192718 591994881 /nfs/dbraw/zinc/99/48/81/591994881.db2.gz HQLKBNUKPYUYBZ-UHFFFAOYSA-N 0 0 244.294 2.219 10 0 BEAERN Cc1ccc(C(=O)NOCC(C)C)c(C)n1 ZINC000135340041 592008621 /nfs/dbraw/zinc/00/86/21/592008621.db2.gz VXLNGUVAKDUSMC-UHFFFAOYSA-N 0 0 222.288 2.016 10 0 BEAERN Cc1cc(OC[C@H](O)C2CC2)ccc1F ZINC000135369160 592009890 /nfs/dbraw/zinc/00/98/90/592009890.db2.gz SFWADTOLSXFTRG-LBPRGKRZSA-N 0 0 210.248 2.284 10 0 BEAERN Oc1ccc(-n2nccc2Br)cc1 ZINC000217088593 592097515 /nfs/dbraw/zinc/09/75/15/592097515.db2.gz GGNBBXHSBKQTJO-UHFFFAOYSA-N 0 0 239.072 2.340 10 0 BEAERN COc1ccc(C(=O)O[C@@H](C)C(C)C)c(N)c1 ZINC000136699633 592149257 /nfs/dbraw/zinc/14/92/57/592149257.db2.gz ZKZXOSFMSNGFHK-VIFPVBQESA-N 0 0 237.299 2.479 10 0 BEAERN Cc1nsc(-c2ccccc2C=O)n1 ZINC000222830486 592505550 /nfs/dbraw/zinc/50/55/50/592505550.db2.gz SINDBTCBCKJVRP-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN O=C(n1ccnc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000106032973 592703608 /nfs/dbraw/zinc/70/36/08/592703608.db2.gz BLYZSLHPOFJPHI-MRVPVSSYSA-N 0 0 247.220 2.126 10 0 BEAERN Cn1ccc(CN[C@H]2CCc3c2cccc3F)n1 ZINC000112344088 592708575 /nfs/dbraw/zinc/70/85/75/592708575.db2.gz WOJKHHWQNOIZOK-AWEZNQCLSA-N 0 0 245.301 2.336 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000336764716 635285754 /nfs/dbraw/zinc/28/57/54/635285754.db2.gz QEGBYLPOCLBBNE-CRCLSJGQSA-N 0 0 240.250 2.343 10 0 BEAERN C[C@@H]1CN(CCC(=O)C(C)(C)C)C[C@@H](C)O1 ZINC000054026300 635327065 /nfs/dbraw/zinc/32/70/65/635327065.db2.gz OSYCIOOOAKMOFD-GHMZBOCLSA-N 0 0 227.348 2.101 10 0 BEAERN Cc1cc(-c2cc(N)n(C)n2)ccc1F ZINC000063057109 635468753 /nfs/dbraw/zinc/46/87/53/635468753.db2.gz SKEWZTGGFHEPBR-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cc1nc(-c2cn(C)nc2C(C)C)ccc1N ZINC000232763096 635517986 /nfs/dbraw/zinc/51/79/86/635517986.db2.gz KJTFYKQGSHNAKC-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)N1CCCCCC1 ZINC000234125484 635548852 /nfs/dbraw/zinc/54/88/52/635548852.db2.gz DAGIXUFJRHOMFC-VXGBXAGGSA-N 0 0 225.332 2.204 10 0 BEAERN CSCC[C@@H](N)c1nc([C@@H]2CC2(C)C)no1 ZINC000235056043 635566793 /nfs/dbraw/zinc/56/67/93/635566793.db2.gz JABOPZQXWSLKEW-JGVFFNPUSA-N 0 0 241.360 2.336 10 0 BEAERN CS[C@H]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000235133071 635567190 /nfs/dbraw/zinc/56/71/90/635567190.db2.gz PUFWZUCHSMPXSY-ZJUUUORDSA-N 0 0 239.344 2.115 10 0 BEAERN Cc1cc(CNc2[nH+]ccn2C2CC2)no1 ZINC000235976886 635592493 /nfs/dbraw/zinc/59/24/93/635592493.db2.gz WWLMWXOCUZSRKA-UHFFFAOYSA-N 0 0 218.260 2.127 10 0 BEAERN Nc1cn(Cc2sccc2Cl)ccc1=O ZINC000379832035 631243692 /nfs/dbraw/zinc/24/36/92/631243692.db2.gz YJDYPUOTEURIOS-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN Cc1cc(N)nn1C[C@H]1CCCC1(F)F ZINC000381577562 631352389 /nfs/dbraw/zinc/35/23/89/631352389.db2.gz IVAKLZJRUHYLQV-MRVPVSSYSA-N 0 0 215.247 2.039 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)n2ccnc2)C[C@@H]1C ZINC000082847002 631415281 /nfs/dbraw/zinc/41/52/81/631415281.db2.gz RBAWQIGIHMBOHC-VWYCJHECSA-N 0 0 221.304 2.266 10 0 BEAERN Cc1cc(-c2cc(N)n(C)n2)sc1C ZINC000083631523 631427893 /nfs/dbraw/zinc/42/78/93/631427893.db2.gz MZVCUYWHRNPHFK-UHFFFAOYSA-N 0 0 207.302 2.348 10 0 BEAERN CC1(C)CCCN(C(=O)n2ccnc2)CC1 ZINC000091439082 631541178 /nfs/dbraw/zinc/54/11/78/631541178.db2.gz NGXLAAXITXPGCV-UHFFFAOYSA-N 0 0 221.304 2.363 10 0 BEAERN O=C(NCCC1CC1)N[C@H]1COc2ccccc21 ZINC000176049949 631542303 /nfs/dbraw/zinc/54/23/03/631542303.db2.gz FMVBNDXAEZTFNL-LBPRGKRZSA-N 0 0 246.310 2.219 10 0 BEAERN CCOCCCCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176150972 631545658 /nfs/dbraw/zinc/54/56/58/631545658.db2.gz SPPYWLYRSUSLMC-NWDGAFQWSA-N 0 0 226.316 2.392 10 0 BEAERN Cc1cc(N)ncc1-c1cn(C)nc1C(C)C ZINC000094064346 631574337 /nfs/dbraw/zinc/57/43/37/631574337.db2.gz SDAXKKDYAOBBJM-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN CCCCN[C@H](CC(C)(C)C)C(=O)OC ZINC000308964149 631772022 /nfs/dbraw/zinc/77/20/22/631772022.db2.gz UCTBEGXMNXNYMH-SNVBAGLBSA-N 0 0 215.337 2.354 10 0 BEAERN CC(C)Oc1ccc([C@@H]2CC(=O)N2)cc1 ZINC000044257042 631814097 /nfs/dbraw/zinc/81/40/97/631814097.db2.gz YKHSIUXBRPTQCB-NSHDSACASA-N 0 0 205.257 2.035 10 0 BEAERN C[C@H](O)[C@H](C)Nc1nc2ccccc2s1 ZINC000309040444 631822852 /nfs/dbraw/zinc/82/28/52/631822852.db2.gz KWYHIASDJKDIIN-YUMQZZPRSA-N 0 0 222.313 2.478 10 0 BEAERN COc1cccc2cc(NN)c(CC3CC3)nc21 ZINC000725268656 631864815 /nfs/dbraw/zinc/86/48/15/631864815.db2.gz XRMOIHXTXGIIQO-UHFFFAOYSA-N 0 0 243.310 2.482 10 0 BEAERN C[C@H](O)c1cccc(OCc2cncn2C)c1 ZINC000091278656 631878708 /nfs/dbraw/zinc/87/87/08/631878708.db2.gz WNYAVESIPVXYTJ-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN CC/C=C(/C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000255509444 631895498 /nfs/dbraw/zinc/89/54/98/631895498.db2.gz AUEAKMIGPVGWPQ-NVIAFKCQSA-N 0 0 212.289 2.311 10 0 BEAERN CC(=O)CCCOC(=O)C[C@H]1C=CCC1 ZINC000126417572 632121454 /nfs/dbraw/zinc/12/14/54/632121454.db2.gz IRECHJNUQZHPGA-NSHDSACASA-N 0 0 210.273 2.255 10 0 BEAERN CCn1ccnc1COc1ccc(C=O)cc1 ZINC000052345201 632130587 /nfs/dbraw/zinc/13/05/87/632130587.db2.gz NYLVHOCMICGUDO-UHFFFAOYSA-N 0 0 230.267 2.295 10 0 BEAERN CS[C@H]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000235206129 632523845 /nfs/dbraw/zinc/52/38/45/632523845.db2.gz PUFWZUCHSMPXSY-UWVGGRQHSA-N 0 0 239.344 2.115 10 0 BEAERN CS[C@@H]1CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000235216129 632542875 /nfs/dbraw/zinc/54/28/75/632542875.db2.gz PUFWZUCHSMPXSY-VHSXEESVSA-N 0 0 239.344 2.115 10 0 BEAERN OCC[C@H]1CCN(C/C(Cl)=C/Cl)C1 ZINC000162212911 632558227 /nfs/dbraw/zinc/55/82/27/632558227.db2.gz YBQATYAFJXAOJL-CPJBWDMUSA-N 0 0 224.131 2.010 10 0 BEAERN CO[C@H](C(=O)OC1CCC1)c1ccccc1 ZINC000176941349 632648717 /nfs/dbraw/zinc/64/87/17/632648717.db2.gz FRWYMGGFNKLWAR-LBPRGKRZSA-N 0 0 220.268 2.470 10 0 BEAERN O=Cc1c(F)cccc1-n1cc(Cl)cn1 ZINC000236257017 632903246 /nfs/dbraw/zinc/90/32/46/632903246.db2.gz CXLNROVWGRNSOF-UHFFFAOYSA-N 0 0 224.622 2.477 10 0 BEAERN CC[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])s1 ZINC000006806444 633096122 /nfs/dbraw/zinc/09/61/22/633096122.db2.gz BAHYAOMBSBEANA-SSDOTTSWSA-N 0 0 213.302 2.334 10 0 BEAERN O=C1C[C@@H](c2ccc(F)cc2C(F)(F)F)N1 ZINC000167654042 633131208 /nfs/dbraw/zinc/13/12/08/633131208.db2.gz SDTTVDAITUONKS-QMMMGPOBSA-N 0 0 233.164 2.406 10 0 BEAERN Cc1ccc(Cl)c(N[C@H](C)[C@@H](C)O)n1 ZINC000307744152 635995160 /nfs/dbraw/zinc/99/51/60/635995160.db2.gz OCFLGWIDYSMONJ-HTQZYQBOSA-N 0 0 214.696 2.225 10 0 BEAERN CCc1cc(C)nc2c(Br)cnn21 ZINC000059917510 636048376 /nfs/dbraw/zinc/04/83/76/636048376.db2.gz ZABXHTCHXWBQMY-UHFFFAOYSA-N 0 0 240.104 2.363 10 0 BEAERN CCC1CCC2(CC1)O[C@@]2(Cl)C(=O)OC ZINC000232912034 636068607 /nfs/dbraw/zinc/06/86/07/636068607.db2.gz QLNOZVVYSSTZDS-RFBVYIQQSA-N 0 0 232.707 2.464 10 0 BEAERN O=C([O-])C[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000309319484 633896670 /nfs/dbraw/zinc/89/66/70/633896670.db2.gz AAPWSBCAMCURHH-ODTOEKCJSA-N 0 0 231.723 2.316 10 0 BEAERN C[C@@H](Nc1nc2c(cccc2F)o1)[C@H](C)O ZINC000309897301 633912155 /nfs/dbraw/zinc/91/21/55/633912155.db2.gz GJHSSPYCCNAVMU-RQJHMYQMSA-N 0 0 224.235 2.148 10 0 BEAERN C[C@@H]1C[C@H](c2cccc(C(=O)[O-])c2)CC[NH2+]1 ZINC000146977199 634046813 /nfs/dbraw/zinc/04/68/13/634046813.db2.gz XJLRJEYJJDQBBA-MWLCHTKSSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)O[C@@H]2CCc3cccnc32)O1 ZINC000189368105 634180517 /nfs/dbraw/zinc/18/05/17/634180517.db2.gz NEUMZHUTMSLCJU-JLLWLGSASA-N 0 0 247.294 2.180 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H](C)C1CC1 ZINC000190745779 634193324 /nfs/dbraw/zinc/19/33/24/634193324.db2.gz TXRWOKUQMQQAFB-IUCAKERBSA-N 0 0 200.278 2.001 10 0 BEAERN CCOCCCN1CC[C@@H](O)c2ccccc21 ZINC000123458888 634240092 /nfs/dbraw/zinc/24/00/92/634240092.db2.gz AFBIODJNILVFFX-CQSZACIVSA-N 0 0 235.327 2.357 10 0 BEAERN CCOCCCN1CC[C@H](O)c2ccccc21 ZINC000123458652 634240482 /nfs/dbraw/zinc/24/04/82/634240482.db2.gz AFBIODJNILVFFX-AWEZNQCLSA-N 0 0 235.327 2.357 10 0 BEAERN OCCCCCN1CC[C@H](O)c2ccccc21 ZINC000123447521 634240731 /nfs/dbraw/zinc/24/07/31/634240731.db2.gz OJOPURYNPHPOEL-AWEZNQCLSA-N 0 0 235.327 2.093 10 0 BEAERN CCC[C@@H]([NH2+]CCSC(F)(F)F)C(=O)[O-] ZINC000123580928 634247847 /nfs/dbraw/zinc/24/78/47/634247847.db2.gz OFSDYQZAZWSYGM-ZCFIWIBFSA-N 0 0 245.266 2.082 10 0 BEAERN CCCOCC(=O)OC[C@@H]1CC=CCC1 ZINC000123849939 634263516 /nfs/dbraw/zinc/26/35/16/634263516.db2.gz QEUSJUCUEUWYRZ-LLVKDONJSA-N 0 0 212.289 2.313 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)c1cnsn1 ZINC000048889562 634328380 /nfs/dbraw/zinc/32/83/80/634328380.db2.gz JLQSFZAKBQGIMD-VIFPVBQESA-N 0 0 247.323 2.338 10 0 BEAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(F)F ZINC000220478991 634347916 /nfs/dbraw/zinc/34/79/16/634347916.db2.gz JSEMSDXCLHDOBW-NTSWFWBYSA-N 0 0 245.191 2.489 10 0 BEAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C(F)F ZINC000220479058 634348173 /nfs/dbraw/zinc/34/81/73/634348173.db2.gz JSEMSDXCLHDOBW-WDSKDSINSA-N 0 0 245.191 2.489 10 0 BEAERN COCc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000195256746 634356094 /nfs/dbraw/zinc/35/60/94/634356094.db2.gz UVLZGQVLFZMFPA-GWCFXTLKSA-N 0 0 249.310 2.339 10 0 BEAERN C[C@H](O)[C@H](C)[NH2+]Cc1sccc1Cl ZINC000336659682 635198851 /nfs/dbraw/zinc/19/88/51/635198851.db2.gz TYUISOZZOSWSMZ-BQBZGAKWSA-N 0 0 219.737 2.260 10 0 BEAERN Cc1nccnc1[C@H](C)NCc1ccccn1 ZINC000219075275 635270845 /nfs/dbraw/zinc/27/08/45/635270845.db2.gz FZVDDJSIEGWNCH-NSHDSACASA-N 0 0 228.299 2.031 10 0 BEAERN C[C@H](O)[C@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000336778831 635289207 /nfs/dbraw/zinc/28/92/07/635289207.db2.gz MMKZSOFGAOCLMV-BQBZGAKWSA-N 0 0 234.221 2.282 10 0 BEAERN Cc1ccc(-c2cccc(N)c2)c(CO)n1 ZINC000669372581 636548331 /nfs/dbraw/zinc/54/83/31/636548331.db2.gz SNMKFLWOOZPJNX-UHFFFAOYSA-N 0 0 214.268 2.132 10 0 BEAERN CCn1ncnc1-c1cc(N)ccc1Cl ZINC000054498807 636743521 /nfs/dbraw/zinc/74/35/21/636743521.db2.gz KDVDGHUYCDNBQW-UHFFFAOYSA-N 0 0 222.679 2.201 10 0 BEAERN Cc1ccc(C(=O)OC[C@H]2CC=CCC2)c(=O)[nH]1 ZINC000127684177 636766947 /nfs/dbraw/zinc/76/69/47/636766947.db2.gz UHXKTQHWOYGMBE-NSHDSACASA-N 0 0 247.294 2.196 10 0 BEAERN CCCCCCC(=O)NCc1ccnn1C ZINC000127750660 636771736 /nfs/dbraw/zinc/77/17/36/636771736.db2.gz ZBBPTMQQAMKXRD-UHFFFAOYSA-N 0 0 223.320 2.007 10 0 BEAERN O=C(COC1CCCCC1)OCC(F)(F)F ZINC000128325814 637037340 /nfs/dbraw/zinc/03/73/40/637037340.db2.gz WAEAIOYBLCQNHR-UHFFFAOYSA-N 0 0 240.221 2.441 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)[C@H]1CCCCC1(C)C ZINC000346370906 637093417 /nfs/dbraw/zinc/09/34/17/637093417.db2.gz GCYLAEYUZPNLGG-GARJFASQSA-N 0 0 227.348 2.088 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)O)c(Cl)c1 ZINC000346400567 637106877 /nfs/dbraw/zinc/10/68/77/637106877.db2.gz LFZOJWJALSIESY-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)O)c(Cl)c1 ZINC000346400566 637107338 /nfs/dbraw/zinc/10/73/38/637107338.db2.gz LFZOJWJALSIESY-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@H](C)[C@H](C)O)cc2c1 ZINC000346417112 637112452 /nfs/dbraw/zinc/11/24/52/637112452.db2.gz SZOGRGROJMXRNT-ZJUUUORDSA-N 0 0 247.294 2.240 10 0 BEAERN C[C@@H](NC(=O)CC1CCCCCC1)[C@H](C)O ZINC000346422937 637119399 /nfs/dbraw/zinc/11/93/99/637119399.db2.gz PQHKCWLGYFNBJZ-MNOVXSKESA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC000346434292 637140911 /nfs/dbraw/zinc/14/09/11/637140911.db2.gz UWQUCQXYACHZIP-NXEZZACHSA-N 0 0 239.359 2.088 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000346452083 637142167 /nfs/dbraw/zinc/14/21/67/637142167.db2.gz FIORWUBSHVXROK-GHMZBOCLSA-N 0 0 249.354 2.483 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000346452087 637142699 /nfs/dbraw/zinc/14/26/99/637142699.db2.gz FIORWUBSHVXROK-QWRGUYRKSA-N 0 0 249.354 2.483 10 0 BEAERN CCCC[C@H](CC)C(=O)N[C@H](C)[C@H](C)O ZINC000346472758 637145227 /nfs/dbraw/zinc/14/52/27/637145227.db2.gz RDMQBMYQXQWLOE-VWYCJHECSA-N 0 0 215.337 2.088 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)Nc1cccc(Cl)c1 ZINC000348153582 638539185 /nfs/dbraw/zinc/53/91/85/638539185.db2.gz IWAIPUMYKHQNNF-YUMQZZPRSA-N 0 0 242.706 2.231 10 0 BEAERN C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](C)O ZINC000348153581 638539592 /nfs/dbraw/zinc/53/95/92/638539592.db2.gz IWAIPUMYKHQNNF-SFYZADRCSA-N 0 0 242.706 2.231 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCO)C1 ZINC000149646709 639038298 /nfs/dbraw/zinc/03/82/98/639038298.db2.gz MCKPDOKMSMTHGK-VHSXEESVSA-N 0 0 229.320 2.062 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccsc1 ZINC000174642104 639145195 /nfs/dbraw/zinc/14/51/95/639145195.db2.gz RIZFEJDOKHNSCN-QMMMGPOBSA-N 0 0 214.286 2.074 10 0 BEAERN CCOC(=O)/C=C/c1cc(Cl)ccn1 ZINC000149963748 639213727 /nfs/dbraw/zinc/21/37/27/639213727.db2.gz PMBWEJCIPNUDGE-ONEGZZNKSA-N 0 0 211.648 2.311 10 0 BEAERN CSCCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175228358 639859948 /nfs/dbraw/zinc/85/99/48/639859948.db2.gz PUEAZGKMEJCHBC-ZJUUUORDSA-N 0 0 232.345 2.098 10 0 BEAERN C[C@H](NC(=O)c1ccc2c(c1)CCN2)C1CC1 ZINC000035733686 639880514 /nfs/dbraw/zinc/88/05/14/639880514.db2.gz GUTLRGHUZCLPJV-VIFPVBQESA-N 0 0 230.311 2.183 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000150727121 640074958 /nfs/dbraw/zinc/07/49/58/640074958.db2.gz VJONTYGTOGMLEA-VHSXEESVSA-N 0 0 245.319 2.099 10 0 BEAERN CC(C)c1nc(-c2cccc(N)c2)n(C)n1 ZINC000054697813 640306154 /nfs/dbraw/zinc/30/61/54/640306154.db2.gz YHGKMTUHSXOUPT-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN C[C@@H]1CN(c2cncc3cccnc32)C[C@H](C)O1 ZINC000223139121 640536894 /nfs/dbraw/zinc/53/68/94/640536894.db2.gz AWIOCEADUSBFJG-PHIMTYICSA-N 0 0 243.310 2.243 10 0 BEAERN COC(=O)COC(=O)c1cccc2ccccc21 ZINC000057962413 640657095 /nfs/dbraw/zinc/65/70/95/640657095.db2.gz HLXANTBBCXSYPO-UHFFFAOYSA-N 0 0 244.246 2.170 10 0 BEAERN CCOc1cc(OC)c(N)cc1Cl ZINC000166818066 640680294 /nfs/dbraw/zinc/68/02/94/640680294.db2.gz DNBXWUGOJMUTPG-UHFFFAOYSA-N 0 0 201.653 2.330 10 0 BEAERN CCNCc1noc([C@@H]2CCC[C@H]2C)n1 ZINC000225427563 640692025 /nfs/dbraw/zinc/69/20/25/640692025.db2.gz ZPLOWDJDHGGJDM-RKDXNWHRSA-N 0 0 209.293 2.083 10 0 BEAERN Cc1cnc([C@@H](C)Nc2ncnc3c2CCC3)o1 ZINC000226547394 640773584 /nfs/dbraw/zinc/77/35/84/640773584.db2.gz NOFBXNWRSVTIRG-SECBINFHSA-N 0 0 244.298 2.435 10 0 BEAERN CCc1c(N)n(C)nc1[C@@H]1CCC[C@H]1C ZINC000226596708 640775772 /nfs/dbraw/zinc/77/57/72/640775772.db2.gz UPLUBDGRMMIREZ-PSASIEDQSA-N 0 0 207.321 2.468 10 0 BEAERN COC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000059103850 640784286 /nfs/dbraw/zinc/78/42/86/640784286.db2.gz ZLWVCZDFJQQVNI-UHFFFAOYSA-N 0 0 206.241 2.187 10 0 BEAERN CC[C@H](SC)C(=O)O[C@@H](C)C1CCOCC1 ZINC000158272049 640825895 /nfs/dbraw/zinc/82/58/95/640825895.db2.gz POLDTHUQLGOOMC-ONGXEEELSA-N 0 0 246.372 2.486 10 0 BEAERN CO[C@H](c1noc(-c2cccc(N)c2)n1)C1CC1 ZINC000227330059 640827591 /nfs/dbraw/zinc/82/75/91/640827591.db2.gz NVMLDQUNMQCIAF-NSHDSACASA-N 0 0 245.282 2.416 10 0 BEAERN CC(C)c1ccc(CN2CCOC[C@@H]2CO)cc1 ZINC000168902849 640832737 /nfs/dbraw/zinc/83/27/37/640832737.db2.gz VYZSEDVBXVALMH-HNNXBMFYSA-N 0 0 249.354 2.003 10 0 BEAERN CCCc1noc(CCc2ccccc2N)n1 ZINC000228124986 640861635 /nfs/dbraw/zinc/86/16/35/640861635.db2.gz LMANXEAZTMGLMW-UHFFFAOYSA-N 0 0 231.299 2.390 10 0 BEAERN CC(C)C[C@@H](N)c1nc(C2(C)CC2)no1 ZINC000087548318 640922405 /nfs/dbraw/zinc/92/24/05/640922405.db2.gz GLAVSEIZGPTTNV-MRVPVSSYSA-N 0 0 209.293 2.167 10 0 BEAERN COC(=O)[C@H]1C[C@H]1C(=O)Oc1cc(C)cc(C)c1 ZINC000171175316 640960608 /nfs/dbraw/zinc/96/06/08/640960608.db2.gz TXQXXMFBCKHXHV-NWDGAFQWSA-N 0 0 248.278 2.018 10 0 BEAERN C[C@H]1Cc2c(c[nH+]c(N)c2C(=O)[O-])[C@H](C)C1 ZINC000675064172 640960862 /nfs/dbraw/zinc/96/08/62/640960862.db2.gz WVDSWSMQAIGCMC-RNFRBKRXSA-N 0 0 220.272 2.048 10 0 BEAERN COC[C@@H](C)C(=O)N1CCc2c(C)cccc2C1 ZINC000171545809 640990399 /nfs/dbraw/zinc/99/03/99/640990399.db2.gz GKAXIDKTPHNULL-GFCCVEGCSA-N 0 0 247.338 2.162 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NOCC(F)(F)F ZINC000230174978 641032064 /nfs/dbraw/zinc/03/20/64/641032064.db2.gz ABVGDELWWYVVBB-BQBZGAKWSA-N 0 0 225.210 2.033 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NOC1CCCC1 ZINC000230168658 641032380 /nfs/dbraw/zinc/03/23/80/641032380.db2.gz CWTGFNHGPHENKT-MWLCHTKSSA-N 0 0 211.305 2.413 10 0 BEAERN CC(C)n1nnc(CO)c1-c1ccccc1 ZINC000062296338 641036225 /nfs/dbraw/zinc/03/62/25/641036225.db2.gz LJRYSGIPJVULEY-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN COC1CC(Nc2ncnc3ccsc32)C1 ZINC000230598530 641071189 /nfs/dbraw/zinc/07/11/89/641071189.db2.gz WPSPHESFDDSUBM-UHFFFAOYSA-N 0 0 235.312 2.281 10 0 BEAERN COC1CC(Nc2nccc3occc32)C1 ZINC000230600134 641072325 /nfs/dbraw/zinc/07/23/25/641072325.db2.gz JMAJBRVZUBMTKO-UHFFFAOYSA-N 0 0 218.256 2.417 10 0 BEAERN Cc1ccn(-c2c(F)cc(C=O)cc2F)n1 ZINC000062708423 641077166 /nfs/dbraw/zinc/07/71/66/641077166.db2.gz CTYGBGVEKWRLER-UHFFFAOYSA-N 0 0 222.194 2.271 10 0 BEAERN Nc1cc(F)ccc1C(=O)NC[C@H]1CC=CCC1 ZINC000062823382 641095410 /nfs/dbraw/zinc/09/54/10/641095410.db2.gz IDOMYXSOSYVOMG-JTQLQIEISA-N 0 0 248.301 2.494 10 0 BEAERN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccncc2)C1 ZINC000062877539 641104246 /nfs/dbraw/zinc/10/42/46/641104246.db2.gz IKWRKVOLDYCITC-AWEZNQCLSA-N 0 0 248.326 2.158 10 0 BEAERN CC(C)[C@@H]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 ZINC000231017608 641125802 /nfs/dbraw/zinc/12/58/02/641125802.db2.gz VMAGTRGTYYXJPK-NQBHXWOUSA-N 0 0 225.332 2.123 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=S)NCC(C)C ZINC000231647926 641192891 /nfs/dbraw/zinc/19/28/91/641192891.db2.gz BQTBZJJMMZFJAU-ZJUUUORDSA-N 0 0 214.378 2.295 10 0 BEAERN CCCn1cc(NC(=O)N[C@H](C)C(C)C)cn1 ZINC000174150222 641251049 /nfs/dbraw/zinc/25/10/49/641251049.db2.gz UWCQXLQSKOHMLK-SNVBAGLBSA-N 0 0 238.335 2.459 10 0 BEAERN COc1csc(-c2[nH]nc(N)c2C)c1 ZINC000088028628 641253020 /nfs/dbraw/zinc/25/30/20/641253020.db2.gz IZVICKOZNDIJLB-UHFFFAOYSA-N 0 0 209.274 2.037 10 0 BEAERN O[C@]12CCCC[C@@H]1CN(c1nccs1)CC2 ZINC000088023179 641253892 /nfs/dbraw/zinc/25/38/92/641253892.db2.gz ZRFNDRVLTMWDPI-PWSUYJOCSA-N 0 0 238.356 2.275 10 0 BEAERN CCOCCCNC(=S)N[C@H](CC)C(C)C ZINC000063909566 641263312 /nfs/dbraw/zinc/26/33/12/641263312.db2.gz PODBMIWDUSXKDP-LLVKDONJSA-N 0 0 246.420 2.312 10 0 BEAERN C[C@H]1CN(Cc2ccc(O)c(F)c2)C[C@H](C)O1 ZINC000232449585 641271971 /nfs/dbraw/zinc/27/19/71/641271971.db2.gz VYNNIALZARUOMR-UWVGGRQHSA-N 0 0 239.290 2.141 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc(NC=O)cc1 ZINC000174513273 641300478 /nfs/dbraw/zinc/30/04/78/641300478.db2.gz DSKSPXBEYJZQPB-SNVBAGLBSA-N 0 0 234.299 2.029 10 0 BEAERN CC(=O)c1cccnc1-n1cc(Cl)c(C)n1 ZINC000232581104 641305869 /nfs/dbraw/zinc/30/58/69/641305869.db2.gz LPJSHJPMGQQQJY-UHFFFAOYSA-N 0 0 235.674 2.432 10 0 BEAERN CC(=O)c1cccnc1-n1nc(C)cc1C ZINC000232581958 641306001 /nfs/dbraw/zinc/30/60/01/641306001.db2.gz XOMQIXJIVQYXFP-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN CC(C)CNC(=O)CSC(C)(C)C ZINC000126503142 641362399 /nfs/dbraw/zinc/36/23/99/641362399.db2.gz QPMOETPINCNZLH-UHFFFAOYSA-N 0 0 203.351 2.290 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1C(F)(F)F ZINC000043375421 641560999 /nfs/dbraw/zinc/56/09/99/641560999.db2.gz ZIKQVNFKCUNBMS-UHFFFAOYSA-N 0 0 207.199 2.209 10 0 BEAERN CCCc1noc([C@H]2NCCc3ccccc32)n1 ZINC000043594457 641568444 /nfs/dbraw/zinc/56/84/44/641568444.db2.gz QLTLDMHPRASRDB-ZDUSSCGKSA-N 0 0 243.310 2.257 10 0 BEAERN CCc1nccn1C[C@@H](O)c1ccccc1C ZINC000044189681 641590665 /nfs/dbraw/zinc/59/06/65/641590665.db2.gz WYKGDTKQOBIFET-CYBMUJFWSA-N 0 0 230.311 2.488 10 0 BEAERN Cc1nccn1C[C@H](O)c1ccccc1C ZINC000044180977 641591446 /nfs/dbraw/zinc/59/14/46/641591446.db2.gz KLKZXXCQJSJYQK-ZDUSSCGKSA-N 0 0 216.284 2.234 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)OCc2ccccc2)O1 ZINC000156196653 641599497 /nfs/dbraw/zinc/59/94/97/641599497.db2.gz IASCNVXDJWCXHI-DGCLKSJQSA-N 0 0 249.310 2.144 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000159653986 641690996 /nfs/dbraw/zinc/69/09/96/641690996.db2.gz QLFQWPPZQNNBMJ-OPQQBVKSSA-N 0 0 244.331 2.016 10 0 BEAERN COc1ccc(OCC[C@H](O)C(C)C)cc1 ZINC000032014823 641711225 /nfs/dbraw/zinc/71/12/25/641711225.db2.gz JPMOUKXOXMHWEX-ZDUSSCGKSA-N 0 0 224.300 2.481 10 0 BEAERN COc1cccc(C(=O)OC2CCC2)c1 ZINC000032176071 641759548 /nfs/dbraw/zinc/75/95/48/641759548.db2.gz FNCNTMFPAUQCCX-UHFFFAOYSA-N 0 0 206.241 2.405 10 0 BEAERN C[C@H](O)c1ccc(N2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000213291430 641765431 /nfs/dbraw/zinc/76/54/31/641765431.db2.gz MEAMVBDYBQRGMV-WCFLWFBJSA-N 0 0 232.327 2.371 10 0 BEAERN CCOC[C@H](C)OC(=O)COC1CCCCC1 ZINC000190760168 641885592 /nfs/dbraw/zinc/88/55/92/641885592.db2.gz YWGFOBIZATVQIV-NSHDSACASA-N 0 0 244.331 2.304 10 0 BEAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)n1ccnc1 ZINC000032779613 641918473 /nfs/dbraw/zinc/91/84/73/641918473.db2.gz VQVNYJVHOKCLGP-GHMZBOCLSA-N 0 0 221.304 2.362 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCC1CCC1 ZINC000192109084 641962893 /nfs/dbraw/zinc/96/28/93/641962893.db2.gz QLZFYGIUBIOGDJ-MWLCHTKSSA-N 0 0 212.289 2.145 10 0 BEAERN COCCCCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192108410 641963905 /nfs/dbraw/zinc/96/39/05/641963905.db2.gz HOXBFRYOINXTJN-NWDGAFQWSA-N 0 0 244.331 2.161 10 0 BEAERN CC[C@@H](C)n1c2cc(N)ccc2oc1=O ZINC000035328923 642392621 /nfs/dbraw/zinc/39/26/21/642392621.db2.gz ODZHSPHQSLNXKO-SSDOTTSWSA-N 0 0 206.245 2.148 10 0 BEAERN CCN(CC(C)C)c1ccc(N)c2nonc21 ZINC000035675677 642398953 /nfs/dbraw/zinc/39/89/53/642398953.db2.gz YAXUZAOZDXXBRW-UHFFFAOYSA-N 0 0 234.303 2.287 10 0 BEAERN CCOCC(=O)Oc1cccc(CC)c1 ZINC000121354391 642460320 /nfs/dbraw/zinc/46/03/20/642460320.db2.gz MHWCPGGEZDODDY-UHFFFAOYSA-N 0 0 208.257 2.191 10 0 BEAERN CCOCC(=O)Oc1ccc2c(c1)CCC2 ZINC000121355759 642461838 /nfs/dbraw/zinc/46/18/38/642461838.db2.gz IMMXZCSFEAQOPJ-UHFFFAOYSA-N 0 0 220.268 2.117 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC=CCC1)[C@@H]1CCOC1 ZINC000175223864 642663712 /nfs/dbraw/zinc/66/37/12/642663712.db2.gz GZBGEGUJBRLBIA-SDDRHHMPSA-N 0 0 224.300 2.311 10 0 BEAERN CCCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175236685 642664834 /nfs/dbraw/zinc/66/48/34/642664834.db2.gz KXVRQWDJHYYZPI-ZJUUUORDSA-N 0 0 200.278 2.145 10 0 BEAERN CCCc1c(N)n(C)nc1[C@H]1CC1(C)C ZINC000233400238 642667086 /nfs/dbraw/zinc/66/70/86/642667086.db2.gz OAQTYFVFEVYECV-SECBINFHSA-N 0 0 207.321 2.468 10 0 BEAERN C[C@H](OC(=O)C(C)(C)C)[C@@H]1CCOC1 ZINC000175267288 642667286 /nfs/dbraw/zinc/66/72/86/642667286.db2.gz FKFCTTKBEDTRAD-DTWKUNHWSA-N 0 0 200.278 2.001 10 0 BEAERN CSCCCCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175269198 642668487 /nfs/dbraw/zinc/66/84/87/642668487.db2.gz GTBZOEAQXUUBEO-WDEREUQCSA-N 0 0 246.372 2.488 10 0 BEAERN C[C@H](OC(=O)C1CCCC1)[C@H]1CCOC1 ZINC000175267424 642668502 /nfs/dbraw/zinc/66/85/02/642668502.db2.gz HUKJIAIYROXJIX-ONGXEEELSA-N 0 0 212.289 2.145 10 0 BEAERN Cc1cc(C)c(C(=O)O[C@H](C)[C@@H]2CCOC2)o1 ZINC000175268590 642668631 /nfs/dbraw/zinc/66/86/31/642668631.db2.gz QMKOLARMXRKTMA-GHMZBOCLSA-N 0 0 238.283 2.478 10 0 BEAERN C[C@H](OC(=O)CC(C)(C)C)[C@@H]1CCOC1 ZINC000175299487 642671921 /nfs/dbraw/zinc/67/19/21/642671921.db2.gz KDZOAVIKPAKNPX-VHSXEESVSA-N 0 0 214.305 2.391 10 0 BEAERN O=C(OCC(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000175573374 642700255 /nfs/dbraw/zinc/70/02/55/642700255.db2.gz AQIPQLUETNDKKX-NKWVEPMBSA-N 0 0 208.179 2.138 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C)cc1O ZINC000233947285 642713223 /nfs/dbraw/zinc/71/32/23/642713223.db2.gz FUJLOMPQQUKFOM-GWCFXTLKSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1ncccc1C(=O)O[C@@H](C)C1CCOCC1 ZINC000179666377 642737853 /nfs/dbraw/zinc/73/78/53/642737853.db2.gz LZHJWHDJKYJAHC-NSHDSACASA-N 0 0 249.310 2.362 10 0 BEAERN CCCCOC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000068174923 642747221 /nfs/dbraw/zinc/74/72/21/642747221.db2.gz WPIFQOMQUUOUPO-SNVBAGLBSA-N 0 0 245.319 2.100 10 0 BEAERN Cc1cccnc1COC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000180352186 642787178 /nfs/dbraw/zinc/78/71/78/642787178.db2.gz SAVCNVAISFDEGA-PWSUYJOCSA-N 0 0 235.283 2.001 10 0 BEAERN COC(=O)[C@@H](C)c1occc1Br ZINC000068980819 642816080 /nfs/dbraw/zinc/81/60/80/642816080.db2.gz TZFREFCGNYUVCD-YFKPBYRVSA-N 0 0 233.061 2.319 10 0 BEAERN CON(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000180842735 642818849 /nfs/dbraw/zinc/81/88/49/642818849.db2.gz DMBIPWBYGCIFHT-AAEUAGOBSA-N 0 0 249.310 2.144 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCC2(C#N)CCCC2)O1 ZINC000183875343 643175557 /nfs/dbraw/zinc/17/55/57/643175557.db2.gz QLKYAWHETZHKCG-GHMZBOCLSA-N 0 0 237.299 2.181 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@@H](C)CC2 ZINC000227514655 643227463 /nfs/dbraw/zinc/22/74/63/643227463.db2.gz FSEJSGQGNCKLCK-JFGNBEQYSA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)/C=C/CN(C)Cc1ccc(C)o1 ZINC000131102886 643238763 /nfs/dbraw/zinc/23/87/63/643238763.db2.gz BZOWPRWSIZQCRF-AATRIKPKSA-N 0 0 237.299 2.139 10 0 BEAERN CC1(COC(=O)[C@H]2C[C@H]2C2CC2)CCOCC1 ZINC000185555367 643333094 /nfs/dbraw/zinc/33/30/94/643333094.db2.gz AZBNMXAMFOIMGD-RYUDHWBXSA-N 0 0 238.327 2.392 10 0 BEAERN CC[C@H](C)c1noc([C@H](N)CCSC)n1 ZINC000082561151 643343544 /nfs/dbraw/zinc/34/35/44/643343544.db2.gz LOMOFQYNWIJRRD-JGVFFNPUSA-N 0 0 229.349 2.336 10 0 BEAERN Cc1cccc(C)c1[C@@H]1C[N@H+](C)C[C@H]1C(=O)[O-] ZINC000757192400 643364998 /nfs/dbraw/zinc/36/49/98/643364998.db2.gz OFUAAVGNPKKJNG-VXGBXAGGSA-N 0 0 233.311 2.033 10 0 BEAERN C[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C3CC3)cc2)C1 ZINC000757192544 643365861 /nfs/dbraw/zinc/36/58/61/643365861.db2.gz QNXSMUBJCYSFHF-KGLIPLIRSA-N 0 0 245.322 2.294 10 0 BEAERN C[N@H+]1C[C@@H](c2ccc(C3CC3)cc2)[C@H](C(=O)[O-])C1 ZINC000757192565 643365994 /nfs/dbraw/zinc/36/59/94/643365994.db2.gz QNXSMUBJCYSFHF-UONOGXRCSA-N 0 0 245.322 2.294 10 0 BEAERN CCOC(=O)/C=C(\c1cnn(C)c1)C(C)C ZINC000757192540 643366160 /nfs/dbraw/zinc/36/61/60/643366160.db2.gz VXGIKLAOEAUBOI-WDZFZDKYSA-N 0 0 222.288 2.023 10 0 BEAERN Cc1cc(Cl)cc(C(=O)N[C@H](C)[C@@H](C)O)c1 ZINC000346372595 643557208 /nfs/dbraw/zinc/55/72/08/643557208.db2.gz AGKATEMLQGXGGO-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC000346370939 643557838 /nfs/dbraw/zinc/55/78/38/643557838.db2.gz GGYQYEZIBXWFML-GHMZBOCLSA-N 0 0 247.338 2.065 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)[C@H](C)O)ccc1Cl ZINC000346409465 643559673 /nfs/dbraw/zinc/55/96/73/643559673.db2.gz MOCLEOSVZDYDEI-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1nn2c(c1C)NCC[C@H]2[C@@H]1CCCO1 ZINC000236005301 643568059 /nfs/dbraw/zinc/56/80/59/643568059.db2.gz ODCAPOQQXXMRGS-QWRGUYRKSA-N 0 0 221.304 2.036 10 0 BEAERN CC(C)N=c1ccccn1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000255188090 643582399 /nfs/dbraw/zinc/58/23/99/643582399.db2.gz BWMUAHQCPLDIFC-RYUDHWBXSA-N 0 0 248.326 2.005 10 0 BEAERN FC(F)(F)c1cn2c(n1)N[C@H]1CCC[C@H]1C2 ZINC000236175441 643609468 /nfs/dbraw/zinc/60/94/68/643609468.db2.gz GSPBVUAMJGQVSX-BQBZGAKWSA-N 0 0 231.221 2.496 10 0 BEAERN COC(=O)/C=C\c1ccc(/C=C\C(=O)OC)cc1 ZINC000085483097 643754904 /nfs/dbraw/zinc/75/49/04/643754904.db2.gz IFNSXAJHSAPYLB-XOHWUJONSA-N 0 0 246.262 2.059 10 0 BEAERN COCCN1C(=S)N=NC1C1CCCCC1 ZINC000228214147 644060497 /nfs/dbraw/zinc/06/04/97/644060497.db2.gz JXUXENFDFIUSGN-UHFFFAOYSA-N 0 0 241.360 2.261 10 0 BEAERN C=C(C)CCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192239774 644139680 /nfs/dbraw/zinc/13/96/80/644139680.db2.gz GFMLMDPKKRMIKD-QWRGUYRKSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OC1(C)CCC1 ZINC000192245541 644141377 /nfs/dbraw/zinc/14/13/77/644141377.db2.gz QVWSDSXSTBNEJM-UWVGGRQHSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192302464 644145578 /nfs/dbraw/zinc/14/55/78/644145578.db2.gz ZHHLHGPZNZTVSD-GMTAPVOTSA-N 0 0 225.288 2.037 10 0 BEAERN CON(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000192365830 644146174 /nfs/dbraw/zinc/14/61/74/644146174.db2.gz UURRTPIYXPLUQC-UHFFFAOYSA-N 0 0 238.331 2.014 10 0 BEAERN C[C@H](OC(=O)CCc1ccco1)[C@H]1CCOC1 ZINC000079177476 644159147 /nfs/dbraw/zinc/15/91/47/644159147.db2.gz WYRXLLLKJOUFRX-QWRGUYRKSA-N 0 0 238.283 2.180 10 0 BEAERN C[C@H](OC(=O)c1cccs1)[C@@H]1CCOC1 ZINC000079176694 644159563 /nfs/dbraw/zinc/15/95/63/644159563.db2.gz CNIXLTSJNIFGHU-DTWKUNHWSA-N 0 0 226.297 2.330 10 0 BEAERN O=C(NCC1CCC1)N[C@@H]1COc2ccccc21 ZINC000194685661 644339491 /nfs/dbraw/zinc/33/94/91/644339491.db2.gz WNNGZNRCTXBHCH-GFCCVEGCSA-N 0 0 246.310 2.219 10 0 BEAERN CO[C@H](C)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000195435205 644391164 /nfs/dbraw/zinc/39/11/64/644391164.db2.gz LZVNMEKQTOEHQQ-ZJUUUORDSA-N 0 0 225.288 2.190 10 0 BEAERN CCCc1noc(Cc2cccc(N)c2)n1 ZINC000083739351 644409056 /nfs/dbraw/zinc/40/90/56/644409056.db2.gz COCHCOWIHHPZNW-UHFFFAOYSA-N 0 0 217.272 2.195 10 0 BEAERN CCC[C@@H](N)c1nc(CCC(F)(F)F)no1 ZINC000086979136 644409162 /nfs/dbraw/zinc/40/91/62/644409162.db2.gz UIXUIQTXLDJYKZ-ZCFIWIBFSA-N 0 0 237.225 2.364 10 0 BEAERN [NH3+]C[C@H](CC(=O)[O-])c1ccc(C2CC2)cc1 ZINC000087014097 644465814 /nfs/dbraw/zinc/46/58/14/644465814.db2.gz HBOPYVWRMYBFKO-LBPRGKRZSA-N 0 0 219.284 2.081 10 0 BEAERN CCOC(=O)c1cnc([C@@H]2C[C@H]2C)nc1C ZINC000230386867 644525809 /nfs/dbraw/zinc/52/58/09/644525809.db2.gz PDPPPTIMGCKHAM-VXNVDRBHSA-N 0 0 220.272 2.085 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H]1C[C@](C)(OC)C1(C)C ZINC000246129378 644566707 /nfs/dbraw/zinc/56/67/07/644566707.db2.gz QLFQWPPZQNNBMJ-CWSCBRNRSA-N 0 0 244.331 2.016 10 0 BEAERN C[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000246409419 644585964 /nfs/dbraw/zinc/58/59/64/644585964.db2.gz UOQILMHYYVTZAM-XDTLVQLUSA-N 0 0 238.327 2.391 10 0 BEAERN C[C@@H](C(=O)O[C@@H](C)[C@H]1CCOC1)C1CC1 ZINC000246427911 644587608 /nfs/dbraw/zinc/58/76/08/644587608.db2.gz CKWXHJOXTABAEE-YWVKMMECSA-N 0 0 212.289 2.001 10 0 BEAERN O=C(n1ccnc1)N1CCC(C(F)(F)F)CC1 ZINC000091439091 644625608 /nfs/dbraw/zinc/62/56/08/644625608.db2.gz ABYUHNQINOGWJU-UHFFFAOYSA-N 0 0 247.220 2.126 10 0 BEAERN CC[C@H](C)COC(=O)[C@H]1CC[C@@H](C)O1 ZINC000248281925 644672881 /nfs/dbraw/zinc/67/28/81/644672881.db2.gz VNBBRQKMSZYCQS-IVZWLZJFSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)O[C@@H]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000248520818 644686965 /nfs/dbraw/zinc/68/69/65/644686965.db2.gz RDLNILGWXFPQFT-SVNGYHJRSA-N 0 0 242.315 2.053 10 0 BEAERN CN[C@H](C)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000300867829 644706108 /nfs/dbraw/zinc/70/61/08/644706108.db2.gz JPUMKYBAJAWFNU-RQJHMYQMSA-N 0 0 231.246 2.253 10 0 BEAERN CC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cn1)C(C)C ZINC000094760299 644727457 /nfs/dbraw/zinc/72/74/57/644727457.db2.gz MYQAIDAKRDELRB-GFCCVEGCSA-N 0 0 236.315 2.304 10 0 BEAERN CCCc1c(N)n[nH]c1[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250222028 644748966 /nfs/dbraw/zinc/74/89/66/644748966.db2.gz XONQLMQQENGDGP-AYMMMOKOSA-N 0 0 205.305 2.458 10 0 BEAERN CCC[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000251317083 644802889 /nfs/dbraw/zinc/80/28/89/644802889.db2.gz LEEJRCYQUGSFIN-RWMBFGLXSA-N 0 0 233.311 2.385 10 0 BEAERN NC(=O)c1cncc(/C=C\c2ccccc2)c1 ZINC000096865428 644843284 /nfs/dbraw/zinc/84/32/84/644843284.db2.gz RNBHLAYXSDMPLM-SREVYHEPSA-N 0 0 224.263 2.351 10 0 BEAERN CCCC(=O)Oc1ccc(C)cc1C(=O)OC ZINC000103708362 644860401 /nfs/dbraw/zinc/86/04/01/644860401.db2.gz HNMRRTPXMAZLNK-UHFFFAOYSA-N 0 0 236.267 2.487 10 0 BEAERN C[S@](=O)c1cccc(C(F)(F)F)c1 ZINC000034612253 645598900 /nfs/dbraw/zinc/59/89/00/645598900.db2.gz VTMVEEFHTATMTH-CYBMUJFWSA-N 0 0 208.204 2.443 10 0 BEAERN C[C@@H](O)c1ccc(N2CCS[C@@H](C)C2)nc1 ZINC000123568433 645760880 /nfs/dbraw/zinc/76/08/80/645760880.db2.gz YMAOANHBWBOPJK-VHSXEESVSA-N 0 0 238.356 2.077 10 0 BEAERN COC[C@@H](OC(=O)C=C1CCC1)C1CC1 ZINC000132049791 645852009 /nfs/dbraw/zinc/85/20/09/645852009.db2.gz HDHMFQDSYXWQIS-LLVKDONJSA-N 0 0 210.273 2.065 10 0 BEAERN CC(C)=CC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724280951 711573888 /nfs/dbraw/zinc/57/38/88/711573888.db2.gz GENJMYZLEZGWAP-ZSBIGDGJSA-N 0 0 225.332 2.272 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2cocc2C)C1 ZINC000707845591 712179706 /nfs/dbraw/zinc/17/97/06/712179706.db2.gz IKDSHIXNQLCERP-NSHDSACASA-N 0 0 235.283 2.029 10 0 BEAERN C=C/C=C\CCNC(=O)[C@@H]1CCO[C@@H]1CC ZINC000713468930 712461262 /nfs/dbraw/zinc/46/12/62/712461262.db2.gz UMBGQBDVJOKAFV-GKKDLHFNSA-N 0 0 223.316 2.050 10 0 BEAERN CCCc1nccnc1N[C@@H](CC)C[C@H](C)O ZINC000716814213 712576173 /nfs/dbraw/zinc/57/61/73/712576173.db2.gz HYFWCCUIYPUZPP-QWRGUYRKSA-N 0 0 237.347 2.391 10 0 BEAERN C[C@@H](NC(=O)c1cscc1C(F)F)[C@H](C)O ZINC000717241668 712641464 /nfs/dbraw/zinc/64/14/64/712641464.db2.gz LOWYMJZTQHIGRX-RITPCOANSA-N 0 0 249.282 2.185 10 0 BEAERN C[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1C(=O)[O-] ZINC000718619099 712773468 /nfs/dbraw/zinc/77/34/68/712773468.db2.gz YQJJLMKDASIMOZ-RKDXNWHRSA-N 0 0 235.274 2.074 10 0 BEAERN COC1CC(Nc2snc(Cl)c2C#N)C1 ZINC000380361112 712897272 /nfs/dbraw/zinc/89/72/72/712897272.db2.gz YLCKKZRCYVMGTE-UHFFFAOYSA-N 0 0 243.719 2.257 10 0 BEAERN C[C@@H](OC(=O)CSC(C)(C)C)[C@@H]1CCOC1 ZINC000175287645 711450387 /nfs/dbraw/zinc/45/03/87/711450387.db2.gz VSVIUPDVZNMKOU-NXEZZACHSA-N 0 0 246.372 2.486 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1CNc2ccccc21 ZINC000134007079 711478137 /nfs/dbraw/zinc/47/81/37/711478137.db2.gz OVXSAJVFHCDQFJ-CMPLNLGQSA-N 0 0 232.327 2.356 10 0 BEAERN CCC1(NC(=O)c2ccc(F)cc2N)CCC1 ZINC000134190249 711490782 /nfs/dbraw/zinc/49/07/82/711490782.db2.gz PMTSFFIXNVAHQD-UHFFFAOYSA-N 0 0 236.290 2.470 10 0 BEAERN CC(=O)N[C@@H](C(=O)C(C)C)c1ccccc1 ZINC000114786324 711534893 /nfs/dbraw/zinc/53/48/93/711534893.db2.gz QSIOSRVFUYRXQB-GFCCVEGCSA-N 0 0 219.284 2.089 10 0 BEAERN CC(C)OC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723840219 711538070 /nfs/dbraw/zinc/53/80/70/711538070.db2.gz NPRQUBFDEDGSCP-VXGBXAGGSA-N 0 0 241.331 2.326 10 0 BEAERN Cc1cc(Cl)nc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000725680401 711669510 /nfs/dbraw/zinc/66/95/10/711669510.db2.gz CEHNVFHHSIAYJD-YUMQZZPRSA-N 0 0 224.691 2.182 10 0 BEAERN CC(C)(C)CCCNC(=O)n1ccnc1 ZINC000313286081 711716730 /nfs/dbraw/zinc/71/67/30/711716730.db2.gz UMVVFDNMPHNSNF-UHFFFAOYSA-N 0 0 209.293 2.267 10 0 BEAERN O=Cc1ccc(N2CCC3(CC3)CC2)o1 ZINC000675063668 711838090 /nfs/dbraw/zinc/83/80/90/711838090.db2.gz KAKXGQCJYILEPI-UHFFFAOYSA-N 0 0 205.257 2.473 10 0 BEAERN CC(C)C[C@@H](N)c1nc([C@H]2CC23CC3)no1 ZINC000700429660 711993413 /nfs/dbraw/zinc/99/34/13/711993413.db2.gz UXZXQDFZACQLEI-RKDXNWHRSA-N 0 0 221.304 2.383 10 0 BEAERN Cc1cc(=O)[nH]c(CN[C@H](C)c2cccs2)n1 ZINC000700469981 711993515 /nfs/dbraw/zinc/99/35/15/711993515.db2.gz VRJRIOUINNXOHL-SECBINFHSA-N 0 0 249.339 2.403 10 0 BEAERN O=C([C@H]1Cc2ccccc2CO1)N1CCCCC1 ZINC000700647103 712001668 /nfs/dbraw/zinc/00/16/68/712001668.db2.gz WSCVFUZTXLORDH-CQSZACIVSA-N 0 0 245.322 2.140 10 0 BEAERN CC[C@H](C)NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700647121 712001717 /nfs/dbraw/zinc/00/17/17/712001717.db2.gz XMZNWDBWAIMRDG-GXFFZTMASA-N 0 0 233.311 2.043 10 0 BEAERN O=C(NC1CCCC1)[C@H]1Cc2ccccc2CO1 ZINC000700645995 712001854 /nfs/dbraw/zinc/00/18/54/712001854.db2.gz LTABDEZIGJTWHI-CQSZACIVSA-N 0 0 245.322 2.187 10 0 BEAERN FC1(F)CCCC[C@@H]1CN1CC=CCN1 ZINC000705224141 712124914 /nfs/dbraw/zinc/12/49/14/712124914.db2.gz OQLMDSGIUVSYCU-SNVBAGLBSA-N 0 0 216.275 2.188 10 0 BEAERN O=C(C1CCCCCCC1)N1CC=CCN1 ZINC000705223441 712124964 /nfs/dbraw/zinc/12/49/64/712124964.db2.gz FZPOEBZGAPRMJE-UHFFFAOYSA-N 0 0 222.332 2.250 10 0 BEAERN Clc1ccc(CN2C[C@H]3CCC[C@@H]32)nn1 ZINC000706731301 712153126 /nfs/dbraw/zinc/15/31/26/712153126.db2.gz DUEHRKVCJQMDAR-SCZZXKLOSA-N 0 0 223.707 2.114 10 0 BEAERN CCCCNC(=S)N1C[C@@H]2CCC[C@@H]21 ZINC000706742225 712153486 /nfs/dbraw/zinc/15/34/86/712153486.db2.gz JKTSEQQGGGXDFW-UWVGGRQHSA-N 0 0 212.362 2.145 10 0 BEAERN CCN(C(=O)c1ccc(F)cc1N)C1CCC1 ZINC000706804461 712156664 /nfs/dbraw/zinc/15/66/64/712156664.db2.gz NGEROBPRWXOBIH-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN Clc1cncc(N2C[C@H]3CCC[C@@H]32)n1 ZINC000706884132 712158891 /nfs/dbraw/zinc/15/88/91/712158891.db2.gz QWDQKYWIRAQDJB-SFYZADRCSA-N 0 0 209.680 2.119 10 0 BEAERN Cc1nc(Cl)cc(N2C[C@H]3CCC[C@H]32)n1 ZINC000706885402 712158953 /nfs/dbraw/zinc/15/89/53/712158953.db2.gz VAHGBXZQKZKUOA-RKDXNWHRSA-N 0 0 223.707 2.427 10 0 BEAERN O=C(c1ccc(Cl)nc1)N1C[C@@H]2CCC[C@H]21 ZINC000706885365 712158969 /nfs/dbraw/zinc/15/89/69/712158969.db2.gz UNROILJXELZUMN-VHSXEESVSA-N 0 0 236.702 2.360 10 0 BEAERN O=C(c1csc(Cl)n1)N1C[C@H]2CCC[C@H]21 ZINC000706901104 712159526 /nfs/dbraw/zinc/15/95/26/712159526.db2.gz ZVQSHIDZCGGFOD-HTRCEHHLSA-N 0 0 242.731 2.421 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000707784501 712178565 /nfs/dbraw/zinc/17/85/65/712178565.db2.gz HKWGAZCHZQKGFK-GFCCVEGCSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000707808709 712178937 /nfs/dbraw/zinc/17/89/37/712178937.db2.gz VHACANGPKYDKBK-NSHDSACASA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000707806011 712178961 /nfs/dbraw/zinc/17/89/61/712178961.db2.gz KMOAXJHMUSAPSE-GFCCVEGCSA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000707808708 712179308 /nfs/dbraw/zinc/17/93/08/712179308.db2.gz VHACANGPKYDKBK-LLVKDONJSA-N 0 0 225.332 2.250 10 0 BEAERN CCCCCC(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707809054 712179332 /nfs/dbraw/zinc/17/93/32/712179332.db2.gz VXZZOWDQDFVZTD-LBPRGKRZSA-N 0 0 225.332 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000707840488 712179679 /nfs/dbraw/zinc/17/96/79/712179679.db2.gz UVKIMNGVYBHNQB-LLVKDONJSA-N 0 0 235.283 2.029 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000707844252 712180032 /nfs/dbraw/zinc/18/00/32/712180032.db2.gz FIZIBBLHTNLRIR-CQSZACIVSA-N 0 0 245.322 2.436 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000707862532 712180306 /nfs/dbraw/zinc/18/03/06/712180306.db2.gz UIFQGHNUIWDCRY-LBPRGKRZSA-N 0 0 249.285 2.267 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000707856919 712180438 /nfs/dbraw/zinc/18/04/38/712180438.db2.gz GUDLXVWLHXEGBA-CQSZACIVSA-N 0 0 245.322 2.436 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC000707861461 712180616 /nfs/dbraw/zinc/18/06/16/712180616.db2.gz QZBSYPNEZIEWJR-CYBMUJFWSA-N 0 0 249.354 2.250 10 0 BEAERN CSC1CC(Nc2cc(C)nc(C)n2)C1 ZINC000708280312 712185734 /nfs/dbraw/zinc/18/57/34/712185734.db2.gz CCOURJQZPDSWFV-UHFFFAOYSA-N 0 0 223.345 2.399 10 0 BEAERN C[C@@H]1COC[C@H]1Nc1cccc(-n2cccn2)c1 ZINC000710837469 712257954 /nfs/dbraw/zinc/25/79/54/712257954.db2.gz GPRLKLMNILJBJV-BXUZGUMPSA-N 0 0 243.310 2.319 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000711492434 712307327 /nfs/dbraw/zinc/30/73/27/712307327.db2.gz TYVXQVWLFPCNDI-JTQLQIEISA-N 0 0 227.304 2.223 10 0 BEAERN COC1CC(Nc2ccc(C#N)cc2C)C1 ZINC000378912407 712367292 /nfs/dbraw/zinc/36/72/92/712367292.db2.gz UBVYUMWUONRTOD-UHFFFAOYSA-N 0 0 216.284 2.456 10 0 BEAERN CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)[C@H]1C[C@H]1C ZINC000712939079 712450324 /nfs/dbraw/zinc/45/03/24/712450324.db2.gz WZWQUEYFKVOCRR-PFOCMLQNSA-N 0 0 237.343 2.264 10 0 BEAERN CCC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381530 712458639 /nfs/dbraw/zinc/45/86/39/712458639.db2.gz LQEGCOAFFBYVDU-WDEREUQCSA-N 0 0 243.347 2.035 10 0 BEAERN COCC1CC(Nc2cc(C3CC3)ncn2)C1 ZINC000713915993 712473033 /nfs/dbraw/zinc/47/30/33/712473033.db2.gz SMYNZEFVWOYARZ-UHFFFAOYSA-N 0 0 233.315 2.191 10 0 BEAERN COCC1CC(Nc2cc(C(C)C)ncn2)C1 ZINC000713930471 712473618 /nfs/dbraw/zinc/47/36/18/712473618.db2.gz KCKPJJIYVUZLNM-UHFFFAOYSA-N 0 0 235.331 2.437 10 0 BEAERN COCC1CC(Nc2cc(Cl)nc(C)n2)C1 ZINC000713955405 712475253 /nfs/dbraw/zinc/47/52/53/712475253.db2.gz AXCPQMMUFHWZLY-UHFFFAOYSA-N 0 0 241.722 2.275 10 0 BEAERN CC(C)[C@@H](C)Nc1nccc2nc[nH]c21 ZINC000714224484 712479213 /nfs/dbraw/zinc/47/92/13/712479213.db2.gz VCZDLWRJGGKAPF-MRVPVSSYSA-N 0 0 204.277 2.414 10 0 BEAERN Cc1ccc([C@H](C)N[C@@H](C)c2cn(C)nn2)o1 ZINC000715863605 712537587 /nfs/dbraw/zinc/53/75/87/712537587.db2.gz YFVLGIFKRFPGBN-UWVGGRQHSA-N 0 0 234.303 2.128 10 0 BEAERN Nc1ccc(S[C@@H]2CCOC2=O)c(Cl)c1 ZINC000037205008 712553479 /nfs/dbraw/zinc/55/34/79/712553479.db2.gz RLJFSCZDCRUNCN-SECBINFHSA-N 0 0 243.715 2.330 10 0 BEAERN Cc1n[nH]c(CNCc2ccc(C)cn2)c1C ZINC000716454350 712562048 /nfs/dbraw/zinc/56/20/48/712562048.db2.gz CJINHONUMQUJFE-UHFFFAOYSA-N 0 0 230.315 2.020 10 0 BEAERN CCc1csc(NCCCC(=O)OC)n1 ZINC000716463984 712563095 /nfs/dbraw/zinc/56/30/95/712563095.db2.gz KGPUQDCFTSRWKF-UHFFFAOYSA-N 0 0 228.317 2.071 10 0 BEAERN CCCc1nccnc1N[C@H](CC)C[C@@H](C)O ZINC000716814209 712576109 /nfs/dbraw/zinc/57/61/09/712576109.db2.gz HYFWCCUIYPUZPP-GHMZBOCLSA-N 0 0 237.347 2.391 10 0 BEAERN O=Cc1cnc(N2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000126277065 712697559 /nfs/dbraw/zinc/69/75/59/712697559.db2.gz GMCDOGBVGTXPEH-STQMWFEESA-N 0 0 245.326 2.448 10 0 BEAERN CC(C)(C)[C@H](O)CNc1ccnc2ncccc12 ZINC000718986128 712791717 /nfs/dbraw/zinc/79/17/17/712791717.db2.gz LNHGUTJIKAONRY-GFCCVEGCSA-N 0 0 245.326 2.449 10 0 BEAERN Nc1ncc(-c2nc([C@@H]3CC34CC4)no2)s1 ZINC000719950921 712826779 /nfs/dbraw/zinc/82/67/79/712826779.db2.gz IKOMYEKLFMSJHM-YFKPBYRVSA-N 0 0 234.284 2.043 10 0 BEAERN Cc1nsc(-c2ccc(C=O)cc2)n1 ZINC000721104702 712891200 /nfs/dbraw/zinc/89/12/00/712891200.db2.gz XNRXKSUPUFHULB-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN COc1ccc(Sc2ncc(C=O)cn2)cc1 ZINC000128745532 1165797446 /nfs/dbraw/zinc/79/74/46/1165797446.db2.gz DOHAJJZSTNODDA-UHFFFAOYSA-N 0 0 246.291 2.449 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2N)C1 ZINC000129222856 1166159325 /nfs/dbraw/zinc/15/93/25/1166159325.db2.gz ZNGYKGSZOUOSIM-RKDXNWHRSA-N 0 0 236.290 2.326 10 0 BEAERN CNc1ccc(C(=O)N[C@H]2CC[C@@H](C)C2)nc1 ZINC000129341482 1166174922 /nfs/dbraw/zinc/17/49/22/1166174922.db2.gz HLPKHZCXZSUTLI-ZJUUUORDSA-N 0 0 233.315 2.042 10 0 BEAERN Nc1c(Cl)cccc1C(=O)NCC1CCC1 ZINC000125397929 1166351636 /nfs/dbraw/zinc/35/16/36/1166351636.db2.gz PQKFWPFGBRRVOV-UHFFFAOYSA-N 0 0 238.718 2.452 10 0 BEAERN Nc1ccc(F)cc1C(=O)Nc1cccnc1 ZINC000036882819 1166557870 /nfs/dbraw/zinc/55/78/70/1166557870.db2.gz JRKLJEADALOXNV-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CC1([NH2+]Cc2csc(C(=O)[O-])c2)CC1 ZINC000689169491 976237018 /nfs/dbraw/zinc/23/70/18/976237018.db2.gz UZRGWZHEQSWYFR-UHFFFAOYSA-N 0 0 211.286 2.088 10 0 BEAERN O=C([O-])c1ccoc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706324843 977312991 /nfs/dbraw/zinc/31/29/91/977312991.db2.gz IXKVBARZYNTGDK-SSDOTTSWSA-N 0 0 245.225 2.065 10 0 BEAERN CCC(F)(F)C[NH2+]C(CC)(CC)C(=O)[O-] ZINC000707622513 977397898 /nfs/dbraw/zinc/39/78/98/977397898.db2.gz RPFCQZBGQLYKKS-UHFFFAOYSA-N 0 0 223.263 2.265 10 0 BEAERN CC(C)C[C@@H]([NH2+]CC1CCSCC1)C(=O)[O-] ZINC000695165952 954809437 /nfs/dbraw/zinc/80/94/37/954809437.db2.gz ISGQAJWRVNKHIZ-LLVKDONJSA-N 0 0 245.388 2.219 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000706732168 954954542 /nfs/dbraw/zinc/95/45/42/954954542.db2.gz KGBAOCSFUOYHQD-VHSXEESVSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000706735706 954955825 /nfs/dbraw/zinc/95/58/25/954955825.db2.gz UGZDEXFEVULWKG-VHSXEESVSA-N 0 0 219.284 2.225 10 0 BEAERN CCCCC(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000112024281 972203038 /nfs/dbraw/zinc/20/30/38/972203038.db2.gz XHSYOEVYSHJCTI-NSHDSACASA-N 0 0 239.319 2.382 10 0 BEAERN Nc1c(F)cccc1C(=O)NC1CCCCC1 ZINC000054205687 958037693 /nfs/dbraw/zinc/03/76/93/958037693.db2.gz ZDKZTVMYEPKXNY-UHFFFAOYSA-N 0 0 236.290 2.470 10 0 BEAERN COC(=N)c1cc(-c2cccs2)nn1C ZINC000409443937 958237998 /nfs/dbraw/zinc/23/79/98/958237998.db2.gz XASPTRBBWOCHFC-UHFFFAOYSA-N 0 0 221.285 2.120 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OC1CCOCC1 ZINC000588456662 958589753 /nfs/dbraw/zinc/58/97/53/958589753.db2.gz GHNOCPJBSYTZII-PLNGDYQASA-N 0 0 247.294 2.125 10 0 BEAERN CC/C=C/CCOC(=O)/C=C\c1ccncn1 ZINC000588477280 958717371 /nfs/dbraw/zinc/71/73/71/958717371.db2.gz SLKHIYGYZUQSPE-FDTUMDBZSA-N 0 0 232.283 2.389 10 0 BEAERN CCC1(CC)CN(C/C=C\Cl)CC[S@@]1=O ZINC000588484867 958748300 /nfs/dbraw/zinc/74/83/00/958748300.db2.gz NNFATAOHEGYDEW-YVACAVLKSA-N 0 0 249.807 2.362 10 0 BEAERN C[C@@H]1OCC[C@@H]1OC(=O)/C=C\c1ccco1 ZINC000588492993 958825084 /nfs/dbraw/zinc/82/50/84/958825084.db2.gz SSBGIGNLWSYCOB-WOMWGJRJSA-N 0 0 222.240 2.013 10 0 BEAERN C/C=C(/CC)C(=O)O[C@H](CC(C)C)C(=O)OC ZINC000588570113 959256787 /nfs/dbraw/zinc/25/67/87/959256787.db2.gz TWBQIAGNENNFDE-SDKXAQGSSA-N 0 0 242.315 2.474 10 0 BEAERN CCOC[C@@H](C)OC(=O)/C=C\c1ccco1 ZINC000588587101 959411761 /nfs/dbraw/zinc/41/17/61/959411761.db2.gz YEVNCJLMGWVJBW-JYESYGNLSA-N 0 0 224.256 2.261 10 0 BEAERN O=C(NCCc1ccsc1)N1CCCCC1 ZINC000135946896 959820464 /nfs/dbraw/zinc/82/04/64/959820464.db2.gz INVIKUPINMVKSA-UHFFFAOYSA-N 0 0 238.356 2.486 10 0 BEAERN C=CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000037008122 960648008 /nfs/dbraw/zinc/64/80/08/960648008.db2.gz LCAUFAKWSSWZCS-QMMMGPOBSA-N 0 0 223.247 2.198 10 0 BEAERN Cc1cccc(OC(=O)COCC2CC2)c1 ZINC000125883707 961140773 /nfs/dbraw/zinc/14/07/73/961140773.db2.gz JYIFQYATXXZCNE-UHFFFAOYSA-N 0 0 220.268 2.327 10 0 BEAERN Cc1ccc(CN(C)C(=S)NC2CC2)o1 ZINC000048228168 962781473 /nfs/dbraw/zinc/78/14/73/962781473.db2.gz SAOMIYCMCIRLHX-UHFFFAOYSA-N 0 0 224.329 2.057 10 0 BEAERN Cc1ccc(CNC(=O)c2ccnc(F)c2)o1 ZINC000053037934 963597385 /nfs/dbraw/zinc/59/73/85/963597385.db2.gz GSLVJONGJCUHLC-UHFFFAOYSA-N 0 0 234.230 2.052 10 0 BEAERN C=CC[C@@H](C(=O)OC)N(C)Cc1ccccc1 ZINC000034521780 964528817 /nfs/dbraw/zinc/52/88/17/964528817.db2.gz LLXSFGJVJABAFP-ZDUSSCGKSA-N 0 0 233.311 2.236 10 0 BEAERN CC[C@@](C)(C[N@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692122343 968911404 /nfs/dbraw/zinc/91/14/04/968911404.db2.gz HJFXAWDSRYXHHM-ZDUSSCGKSA-N 0 0 245.363 2.234 10 0 BEAERN CC[C@H](C)[C@@H](C[NH2+][C@H](CC(C)C)C(=O)[O-])OC ZINC000695116669 968955922 /nfs/dbraw/zinc/95/59/22/968955922.db2.gz GFDUQRXHQMEVOK-QJPTWQEYSA-N 0 0 245.363 2.136 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000695962638 968961352 /nfs/dbraw/zinc/96/13/52/968961352.db2.gz UZKKKQCPWMTEIO-ADEWGFFLSA-N 0 0 225.332 2.408 10 0 BEAERN C[N@H+](CCCC(=O)[O-])CCOC1CCCCC1 ZINC000701316937 968985141 /nfs/dbraw/zinc/98/51/41/968985141.db2.gz SCXBMYZUEGKHLG-UHFFFAOYSA-N 0 0 243.347 2.132 10 0 BEAERN CC[N@H+](CCOC1CCCCC1)[C@H](C)C(=O)[O-] ZINC000701322672 968986030 /nfs/dbraw/zinc/98/60/30/968986030.db2.gz KVUAXYFSXAZMOS-LLVKDONJSA-N 0 0 243.347 2.131 10 0 BEAERN CC(C)[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714338039 969077049 /nfs/dbraw/zinc/07/70/49/969077049.db2.gz JMYFCIUPAAVLGB-GHMZBOCLSA-N 0 0 243.347 2.033 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000718074701 969098779 /nfs/dbraw/zinc/09/87/79/969098779.db2.gz YMFQZPWTSSPKAQ-ONGXEEELSA-N 0 0 237.299 2.131 10 0 BEAERN CC[C@@H]([NH2+]CCC(C)(C)CC)C(=O)[O-] ZINC000686198550 976103172 /nfs/dbraw/zinc/10/31/72/976103172.db2.gz RMLWPJIGYRRZTA-SECBINFHSA-N 0 0 201.310 2.266 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)[O-] ZINC000686347421 976106559 /nfs/dbraw/zinc/10/65/59/976106559.db2.gz BDTXUPXAODNBAM-WYUUTHIRSA-N 0 0 243.347 2.033 10 0 BEAERN O=C([O-])C1(C[NH+]2C3CCCC2CCC3)CC1 ZINC000687887102 976157672 /nfs/dbraw/zinc/15/76/72/976157672.db2.gz MUBJZQRDGVGIHU-UHFFFAOYSA-N 0 0 223.316 2.258 10 0 BEAERN CC[C@](COC)([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000688401197 976176422 /nfs/dbraw/zinc/17/64/22/976176422.db2.gz OVPIWXJGQDUOKA-CYBMUJFWSA-N 0 0 243.347 2.036 10 0 BEAERN CCCC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000689346872 976251753 /nfs/dbraw/zinc/25/17/53/976251753.db2.gz OQNMQGLKDXZFEQ-WPRPVWTQSA-N 0 0 235.274 2.265 10 0 BEAERN CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])cn2)C1(C)C ZINC000690239594 976281229 /nfs/dbraw/zinc/28/12/29/976281229.db2.gz HCZHAEIEFMVMSB-UHFFFAOYSA-N 0 0 248.326 2.400 10 0 BEAERN CC1CC(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000691036456 976346513 /nfs/dbraw/zinc/34/65/13/976346513.db2.gz BWIJYZWELUFBHX-UDNWOFFPSA-N 0 0 213.321 2.121 10 0 BEAERN CC(C)C[C@H]1CCC[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000691547780 976365107 /nfs/dbraw/zinc/36/51/07/976365107.db2.gz MXNSKWYYSHVSNT-LLVKDONJSA-N 0 0 225.332 2.362 10 0 BEAERN CCCC1CC[NH+](CC2(C(=O)[O-])CC2)CC1 ZINC000691626075 976376858 /nfs/dbraw/zinc/37/68/58/976376858.db2.gz DBCRIIINVYEYOI-UHFFFAOYSA-N 0 0 225.332 2.363 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635892 976379292 /nfs/dbraw/zinc/37/92/92/976379292.db2.gz ZAIFSSWUIGRLDE-MNOVXSKESA-N 0 0 225.332 2.362 10 0 BEAERN CCCC[C@@H]([NH2+]CCc1ccoc1)C(=O)[O-] ZINC000692681763 976533926 /nfs/dbraw/zinc/53/39/26/976533926.db2.gz ZWTZXCQCUADIOC-LLVKDONJSA-N 0 0 225.288 2.055 10 0 BEAERN C[N@H+](Cc1ccsc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000692994785 976556717 /nfs/dbraw/zinc/55/67/17/976556717.db2.gz BATIDMOUYLTHJX-AOOOYVTPSA-N 0 0 225.313 2.043 10 0 BEAERN Cc1[nH]c(C[NH2+][C@]23C[C@H]2CCC3)cc1C(=O)[O-] ZINC000693179514 976592836 /nfs/dbraw/zinc/59/28/36/976592836.db2.gz GVCNJZCFZANDAZ-NOZJJQNGSA-N 0 0 234.299 2.054 10 0 BEAERN CC(C)(C)SCC[NH2+]C(C)(C)CC(=O)[O-] ZINC000694052443 976664726 /nfs/dbraw/zinc/66/47/26/976664726.db2.gz RHIZXXYWYJPDLF-UHFFFAOYSA-N 0 0 233.377 2.361 10 0 BEAERN Cc1nc(C[N@@H+](C)C(C)(C)CC(=O)[O-])cs1 ZINC000694047723 976665054 /nfs/dbraw/zinc/66/50/54/976665054.db2.gz MHIOKANQJQLGJV-UHFFFAOYSA-N 0 0 242.344 2.137 10 0 BEAERN C[C@H]1c2ccccc2C[C@H]1[NH2+]CCCC(=O)[O-] ZINC000698884418 976906342 /nfs/dbraw/zinc/90/63/42/976906342.db2.gz KOAGWFSCKWJYRW-GXFFZTMASA-N 0 0 233.311 2.169 10 0 BEAERN CCCC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000701733332 977036478 /nfs/dbraw/zinc/03/64/78/977036478.db2.gz KWGUOZREFCHHJS-VXGBXAGGSA-N 0 0 243.347 2.129 10 0 BEAERN O=C([O-])c1cccc(C[NH+]2CC(C3CC3)C2)c1 ZINC000701790034 977040375 /nfs/dbraw/zinc/04/03/75/977040375.db2.gz FPDCOLWVBJPKFE-UHFFFAOYSA-N 0 0 231.295 2.227 10 0 BEAERN O=C([O-])c1occc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701942960 977055419 /nfs/dbraw/zinc/05/54/19/977055419.db2.gz FCORBJRYFRNYJJ-MRVPVSSYSA-N 0 0 245.225 2.113 10 0 BEAERN O=C([O-])C1CCC([NH2+]CCc2ccoc2)CC1 ZINC000703061895 977150140 /nfs/dbraw/zinc/15/01/40/977150140.db2.gz CCXARVUALQHSHS-UHFFFAOYSA-N 0 0 237.299 2.055 10 0 BEAERN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)ccn1 ZINC000703492029 977167111 /nfs/dbraw/zinc/16/71/11/977167111.db2.gz DTDZKPVXYHXGFJ-DGCLKSJQSA-N 0 0 248.326 2.075 10 0 BEAERN CC[N@H+](C/C(C)=C/C(=O)[O-])[C@H](C)C(C)C ZINC000706666172 977358607 /nfs/dbraw/zinc/35/86/07/977358607.db2.gz KBXFYVLLKZEOSC-PFEDMVJOSA-N 0 0 213.321 2.384 10 0 BEAERN O=C([O-])CC1(C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000706448045 977324424 /nfs/dbraw/zinc/32/44/24/977324424.db2.gz FZQFINWSUZQAOJ-NSHDSACASA-N 0 0 223.316 2.116 10 0 BEAERN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1C ZINC000706736448 977360762 /nfs/dbraw/zinc/36/07/62/977360762.db2.gz XIOHKVIPBDMWII-IUCAKERBSA-N 0 0 237.274 2.364 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000706745630 977360979 /nfs/dbraw/zinc/36/09/79/977360979.db2.gz XRPACLRSOQPPJJ-IUCAKERBSA-N 0 0 237.274 2.364 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000706774716 977362071 /nfs/dbraw/zinc/36/20/71/977362071.db2.gz NDAOBPKTRYJXOE-BDAKNGLRSA-N 0 0 237.274 2.364 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)o1 ZINC000707008277 977372507 /nfs/dbraw/zinc/37/25/07/977372507.db2.gz VGMBLLBGWOACTB-ZETCQYMHSA-N 0 0 245.225 2.065 10 0 BEAERN O=C([O-])c1coc(C[NH+]2CCC3(CC3)CC2)c1 ZINC000707021773 977373655 /nfs/dbraw/zinc/37/36/55/977373655.db2.gz MSNMWJUSXUPKKK-UHFFFAOYSA-N 0 0 235.283 2.354 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000707301665 977381780 /nfs/dbraw/zinc/38/17/80/977381780.db2.gz FZCLSYXELDBTBV-SDKXAQGSSA-N 0 0 243.372 2.091 10 0 BEAERN CCC[C@](C)([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000708330724 977422544 /nfs/dbraw/zinc/42/25/44/977422544.db2.gz PTKZTEQTDNMWRO-MFKMUULPSA-N 0 0 243.347 2.035 10 0 BEAERN CC[C@H](C)C[N@H+](CC)CC1(C(=O)[O-])CC1 ZINC000709492472 977460681 /nfs/dbraw/zinc/46/06/81/977460681.db2.gz AGXYOCWWTQGIHN-JTQLQIEISA-N 0 0 213.321 2.219 10 0 BEAERN CCCCC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710128766 977484029 /nfs/dbraw/zinc/48/40/29/977484029.db2.gz FCEBNCUELMQOBN-JQWIXIFHSA-N 0 0 213.321 2.219 10 0 BEAERN CCC[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710240431 977497124 /nfs/dbraw/zinc/49/71/24/977497124.db2.gz ALXXRNDAXSQIHC-NHCYSSNCSA-N 0 0 213.321 2.218 10 0 BEAERN CCC(CC)C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710240578 977497388 /nfs/dbraw/zinc/49/73/88/977497388.db2.gz BUHXSOQWTDCVLH-GWCFXTLKSA-N 0 0 227.348 2.465 10 0 BEAERN C[C@H](c1ccncc1)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710319822 977502939 /nfs/dbraw/zinc/50/29/39/977502939.db2.gz MLHZHRRTSXQUAL-WDMOLILDSA-N 0 0 248.326 2.185 10 0 BEAERN CCC[C@@](C)([NH2+]CC[C@@H]1CCCCO1)C(=O)[O-] ZINC000711016427 977527267 /nfs/dbraw/zinc/52/72/67/977527267.db2.gz HLKZMHMUQBXSPW-WCQYABFASA-N 0 0 243.347 2.179 10 0 BEAERN C=C/C=C/CC[NH2+]Cc1ccoc1C(=O)[O-] ZINC000713456149 977636394 /nfs/dbraw/zinc/63/63/94/977636394.db2.gz QQAWWJLUHCIBSF-ONEGZZNKSA-N 0 0 221.256 2.200 10 0 BEAERN C=C/C=C\CC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000713711163 977658237 /nfs/dbraw/zinc/65/82/37/977658237.db2.gz QSFCPHSCVQIEHF-VSQXVHSFSA-N 0 0 223.316 2.448 10 0 BEAERN CC(C)[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714338046 977667763 /nfs/dbraw/zinc/66/77/63/977667763.db2.gz JMYFCIUPAAVLGB-QWRGUYRKSA-N 0 0 243.347 2.033 10 0 BEAERN CC[C@](C)([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337841 977667776 /nfs/dbraw/zinc/66/77/76/977667776.db2.gz LSUGFISRMWKFQN-MFKMUULPSA-N 0 0 243.347 2.177 10 0 BEAERN CC1(C)CC[C@H]([NH2+]C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC000715248592 977706469 /nfs/dbraw/zinc/70/64/69/977706469.db2.gz MZPPVODBBFUSSN-YIZRAAEISA-N 0 0 247.285 2.121 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715282220 977723485 /nfs/dbraw/zinc/72/34/85/977723485.db2.gz HAJXBPYVXGNCAN-XFWSIPNHSA-N 0 0 247.285 2.121 10 0 BEAERN CCCC1(C[NH2+]C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC000715337950 977745594 /nfs/dbraw/zinc/74/55/94/977745594.db2.gz DHKPJLBBDNCCFJ-DTWKUNHWSA-N 0 0 247.285 2.122 10 0 BEAERN CCCC[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000716498827 977846893 /nfs/dbraw/zinc/84/68/93/977846893.db2.gz VPLJLEHEXOZDNX-GARJFASQSA-N 0 0 211.305 2.018 10 0 BEAERN CCCC[C@H]([NH2+]CC1CC=CC1)C(=O)[O-] ZINC000717314542 977892723 /nfs/dbraw/zinc/89/27/23/977892723.db2.gz OTAIPFTYQCNWRO-NSHDSACASA-N 0 0 211.305 2.186 10 0 BEAERN CC(C)C[C@H]([NH2+]C1(C2CC2)CCC1)C(=O)[O-] ZINC000717829601 977921708 /nfs/dbraw/zinc/92/17/08/977921708.db2.gz NWDMAFSDRYJFTR-NSHDSACASA-N 0 0 225.332 2.408 10 0 BEAERN CCCC[C@@H]([NH2+][C@H]1CC12CCC2)C(=O)[O-] ZINC000721222695 978096477 /nfs/dbraw/zinc/09/64/77/978096477.db2.gz QFMKDQLGAAIKEK-ZJUUUORDSA-N 0 0 211.305 2.162 10 0 BEAERN CCCC[C@H]([NH2+][C@@H]1CC12CCC2)C(=O)[O-] ZINC000721222693 978096680 /nfs/dbraw/zinc/09/66/80/978096680.db2.gz QFMKDQLGAAIKEK-VHSXEESVSA-N 0 0 211.305 2.162 10 0 BEAERN CCC1CC[NH+](Cc2cncc(C(=O)[O-])c2)CC1 ZINC000721548773 978118221 /nfs/dbraw/zinc/11/82/21/978118221.db2.gz WJEPVTYWFKTMFR-UHFFFAOYSA-N 0 0 248.326 2.402 10 0 BEAERN CCCCCNC(=O)c1cc(F)ccc1N ZINC000036882840 1170919750 /nfs/dbraw/zinc/91/97/50/1170919750.db2.gz SBGDAIOUEQGGJL-UHFFFAOYSA-N 0 0 224.279 2.328 10 0 BEAERN NC(=O)/C=C\c1ccccc1C(F)(F)F ZINC000044258424 1171364261 /nfs/dbraw/zinc/36/42/61/1171364261.db2.gz OFIDPDPBYBQZIU-WAYWQWQTSA-N 0 0 215.174 2.204 10 0 BEAERN CCCC1CCN(C(=O)c2ncccc2O)CC1 ZINC000050906500 1171854128 /nfs/dbraw/zinc/85/41/28/1171854128.db2.gz LZEZXGVWWLDOEJ-UHFFFAOYSA-N 0 0 248.326 2.440 10 0 BEAERN CCC(C)(CC)NC(=O)c1cc(C)[nH]c(=O)c1 ZINC000133766071 168309560 /nfs/dbraw/zinc/30/95/60/168309560.db2.gz AKTDJWRJUORVRF-UHFFFAOYSA-N 0 0 236.315 2.404 10 0 BEAERN CCCC(C)(C)c1n[nH]nc1C(=O)OCC ZINC000685954627 538899063 /nfs/dbraw/zinc/89/90/63/538899063.db2.gz VBQRCRDMRHFUEY-UHFFFAOYSA-N 0 0 225.292 2.059 10 0 BEAERN Nc1ccc2nc(CC3CC3)c(O)cc2c1 ZINC000685963702 538910640 /nfs/dbraw/zinc/91/06/40/538910640.db2.gz VXASXIBAUIJVIU-UHFFFAOYSA-N 0 0 214.268 2.475 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H](C)SC ZINC000112827580 168309682 /nfs/dbraw/zinc/30/96/82/168309682.db2.gz JINSQJYQAJKFBM-QMMMGPOBSA-N 0 0 203.351 2.433 10 0 BEAERN CNCC(F)(F)CO[C@@H](C)C1CCC1 ZINC000685956856 538901378 /nfs/dbraw/zinc/90/13/78/538901378.db2.gz LOGQGLRGGQIUDM-QMMMGPOBSA-N 0 0 207.264 2.046 10 0 BEAERN CCOC(=O)C(F)(F)Cc1cccs1 ZINC000685956512 538903064 /nfs/dbraw/zinc/90/30/64/538903064.db2.gz FBOZOEXODVNSMB-UHFFFAOYSA-N 0 0 220.240 2.489 10 0 BEAERN CC(C)(C)N1Cc2ccc(N)cc2C1=O ZINC000685958285 538905415 /nfs/dbraw/zinc/90/54/15/538905415.db2.gz DACYYSBOHGQTLI-UHFFFAOYSA-N 0 0 204.273 2.023 10 0 BEAERN CC(C)CN1Cc2cc(F)ccc2C1=O ZINC000685958337 538905879 /nfs/dbraw/zinc/90/58/79/538905879.db2.gz JTBZBYZGBCQAHG-UHFFFAOYSA-N 0 0 207.248 2.438 10 0 BEAERN COC[C@H](C)[C@@H]1CC(=O)NC12CCCCC2 ZINC000685959010 538906418 /nfs/dbraw/zinc/90/64/18/538906418.db2.gz INSYZOLLXCTVIL-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN C[C@H]1OCC[C@]12CC(=O)NC21CCCCC1 ZINC000685958917 538906428 /nfs/dbraw/zinc/90/64/28/538906428.db2.gz IDTDBYXINSLRCT-PWSUYJOCSA-N 0 0 223.316 2.004 10 0 BEAERN C[C@H]1C[C@]2(CO1)CC(=O)NC21CCCCC1 ZINC000685958907 538906430 /nfs/dbraw/zinc/90/64/30/538906430.db2.gz IDCGORIZFDSFSQ-CMPLNLGQSA-N 0 0 223.316 2.004 10 0 BEAERN COC(C)(C)[C@H]1CC(=O)NC12CCCCC2 ZINC000685959157 538906924 /nfs/dbraw/zinc/90/69/24/538906924.db2.gz KLWSYHHULMUSRL-SNVBAGLBSA-N 0 0 225.332 2.250 10 0 BEAERN O=C1C[C@@H]([C@H]2CCCO2)C2(CCCCC2)N1 ZINC000685959908 538907077 /nfs/dbraw/zinc/90/70/77/538907077.db2.gz VHHKPQDGBZSNKG-WDEREUQCSA-N 0 0 223.316 2.004 10 0 BEAERN C[C@H]1C[C@@H]1CNC(=O)NC1CCCCC1 ZINC000136005437 398136608 /nfs/dbraw/zinc/13/66/08/398136608.db2.gz GTCOQSMDCFNTQF-VHSXEESVSA-N 0 0 210.321 2.274 10 0 BEAERN CO[C@@H]1CC[C@]12CC(=O)NC21CCCCC1 ZINC000685959994 538907246 /nfs/dbraw/zinc/90/72/46/538907246.db2.gz XDAHLWMQVLKYPA-PWSUYJOCSA-N 0 0 223.316 2.004 10 0 BEAERN CCC[C@@]1(C)[C@H](C)C(=O)NC12CCOCC2 ZINC000685960083 538907251 /nfs/dbraw/zinc/90/72/51/538907251.db2.gz YZEODPYHLKXLBD-PWSUYJOCSA-N 0 0 225.332 2.108 10 0 BEAERN CC(C)C[C@]1(C)CC(=O)NC12CCOCC2 ZINC000685960129 538907516 /nfs/dbraw/zinc/90/75/16/538907516.db2.gz ZYDWSFFOFWWQIB-GFCCVEGCSA-N 0 0 225.332 2.108 10 0 BEAERN Cc1cccc2c1N[C@H](C(C)C)[C@H](O)C2 ZINC000685963266 538909137 /nfs/dbraw/zinc/90/91/37/538909137.db2.gz KMUTXSAORUBNSU-VXGBXAGGSA-N 0 0 205.301 2.349 10 0 BEAERN C[C@@H]1C[C@H]1CC(=O)CNC(=O)OC(C)(C)C ZINC000685962463 538909235 /nfs/dbraw/zinc/90/92/35/538909235.db2.gz JCGPPGPFXOWMDB-BDAKNGLRSA-N 0 0 227.304 2.126 10 0 BEAERN O[C@H]1Cc2ccccc2N[C@H]1CC1CC1 ZINC000685963045 538909542 /nfs/dbraw/zinc/90/95/42/538909542.db2.gz FLSLKYOLWUCKLO-STQMWFEESA-N 0 0 203.285 2.184 10 0 BEAERN COc1ccc2c(c1)N[C@@H](C(C)C)[C@H](O)C2 ZINC000685962928 538909551 /nfs/dbraw/zinc/90/95/51/538909551.db2.gz AMZYGWCHEFTBHJ-OLZOCXBDSA-N 0 0 221.300 2.049 10 0 BEAERN COc1cccc2c1N[C@@H](C(C)C)[C@@H](O)C2 ZINC000685962985 538909803 /nfs/dbraw/zinc/90/98/03/538909803.db2.gz CQXOVUCLLVOGGL-JQWIXIFHSA-N 0 0 221.300 2.049 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@H](C(F)(F)F)N2 ZINC000685962999 538909890 /nfs/dbraw/zinc/90/98/90/538909890.db2.gz CWNCQUUVODCCFR-NXEZZACHSA-N 0 0 231.217 2.255 10 0 BEAERN CCC[C@H]1CCc2nn(CC)c(N)c2C1 ZINC000685952344 538896284 /nfs/dbraw/zinc/89/62/84/538896284.db2.gz GTIDPXKVIJNTBS-VIFPVBQESA-N 0 0 207.321 2.390 10 0 BEAERN CCC[C@@H]1CCc2nn(CC)c(N)c2C1 ZINC000685952343 538896502 /nfs/dbraw/zinc/89/65/02/538896502.db2.gz GTIDPXKVIJNTBS-SECBINFHSA-N 0 0 207.321 2.390 10 0 BEAERN CCC[C@H]1Nc2ccc(C)cc2C[C@H]1O ZINC000685963828 538910791 /nfs/dbraw/zinc/91/07/91/538910791.db2.gz XWYFDENCGKLMBO-CHWSQXEVSA-N 0 0 205.301 2.493 10 0 BEAERN C=C(OCC)c1ncnc(Cl)c1OC ZINC000685965144 538911583 /nfs/dbraw/zinc/91/15/83/538911583.db2.gz QCQQVADYTGAXML-UHFFFAOYSA-N 0 0 214.652 2.146 10 0 BEAERN CC(F)(F)Cn1cc2ccc(N)cc2n1 ZINC000685965848 538912313 /nfs/dbraw/zinc/91/23/13/538912313.db2.gz VVJUPUIWKCFJRA-UHFFFAOYSA-N 0 0 211.215 2.274 10 0 BEAERN C[C@@H]1NC(=O)Oc2cn(CC(C)(C)C)nc21 ZINC000685965719 538912497 /nfs/dbraw/zinc/91/24/97/538912497.db2.gz PZWCOBVBRKBDHI-ZETCQYMHSA-N 0 0 223.276 2.092 10 0 BEAERN Oc1cc2ccccc2nc1[C@H]1CCOC1 ZINC000685963381 538912865 /nfs/dbraw/zinc/91/28/65/538912865.db2.gz NBXBBWHJGOIHPX-JTQLQIEISA-N 0 0 215.252 2.444 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@@H](CC1CC1)N2 ZINC000685963433 538912994 /nfs/dbraw/zinc/91/29/94/538912994.db2.gz OGIIEEKJNDTOKP-ZIAGYGMSSA-N 0 0 217.312 2.493 10 0 BEAERN Cc1cc(C)nc(Sc2ncccc2N)n1 ZINC000042143650 177948837 /nfs/dbraw/zinc/94/88/37/177948837.db2.gz YOBQVHRPISNZIG-UHFFFAOYSA-N 0 0 232.312 2.222 10 0 BEAERN CSCCC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000129875563 136211621 /nfs/dbraw/zinc/21/16/21/136211621.db2.gz ZLQLXRSFSDYQDJ-DTWKUNHWSA-N 0 0 201.335 2.044 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1NCc2ccccc21 ZINC000039619931 349486611 /nfs/dbraw/zinc/48/66/11/349486611.db2.gz PWIAGLNSTFLOOB-NSHDSACASA-N 0 0 219.284 2.173 10 0 BEAERN NC(=O)N1CC[C@@H](c2cccc3ncccc32)C1 ZINC000616611890 349474303 /nfs/dbraw/zinc/47/43/03/349474303.db2.gz HAOGNFBOCQFSNU-SNVBAGLBSA-N 0 0 241.294 2.103 10 0 BEAERN CC(C)N(C(=O)[C@@H]1CC[C@H](C)O1)C(C)C ZINC000155643712 136213384 /nfs/dbraw/zinc/21/33/84/136213384.db2.gz PZEXZMVOLKDXLG-QWRGUYRKSA-N 0 0 213.321 2.199 10 0 BEAERN Nc1cc(CCc2ccc(Cl)cc2)ncn1 ZINC000257769169 349483796 /nfs/dbraw/zinc/48/37/96/349483796.db2.gz OYJXUBHEDMCEFO-UHFFFAOYSA-N 0 0 233.702 2.497 10 0 BEAERN CC(=O)N1CC[C@H](c2cc[nH]n2)c2ccccc21 ZINC000616588609 349500532 /nfs/dbraw/zinc/50/05/32/349500532.db2.gz MMNLTHCSUSWFAJ-NSHDSACASA-N 0 0 241.294 2.298 10 0 BEAERN Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)oc1C(=O)[O-] ZINC000049716310 178008302 /nfs/dbraw/zinc/00/83/02/178008302.db2.gz ISVYTYCBJYISJM-VHSXEESVSA-N 0 0 235.283 2.271 10 0 BEAERN O=C(c1cn[nH]c1)c1sccc1Cl ZINC000306337504 398167867 /nfs/dbraw/zinc/16/78/67/398167867.db2.gz HRKUZRAYBOUQAK-UHFFFAOYSA-N 0 0 212.661 2.356 10 0 BEAERN CCC(CC)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000002772244 168336193 /nfs/dbraw/zinc/33/61/93/168336193.db2.gz NSBOGLTVKWVWEY-UWVGGRQHSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1cc(CN[C@H]2COc3ccccc32)no1 ZINC000336464314 178041817 /nfs/dbraw/zinc/04/18/17/178041817.db2.gz CEALHAMMFNZOBM-LBPRGKRZSA-N 0 0 230.267 2.206 10 0 BEAERN Cc1cc(CNc2cc(F)ccc2N)no1 ZINC000052122063 178042391 /nfs/dbraw/zinc/04/23/91/178042391.db2.gz SPFXFENYZFODCE-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2nccnc2Cl)on1 ZINC000045014459 178045227 /nfs/dbraw/zinc/04/52/27/178045227.db2.gz KHEUASHNZCUXPU-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CO)nc(Cc2ccc(F)cc2)n1 ZINC000054830203 178045531 /nfs/dbraw/zinc/04/55/31/178045531.db2.gz BGIORFTXIHXZNZ-UHFFFAOYSA-N 0 0 232.258 2.007 10 0 BEAERN Cc1cc(COc2ccccc2O)on1 ZINC000000347532 178049995 /nfs/dbraw/zinc/04/99/95/178049995.db2.gz YINZRJUAYKMPIJ-UHFFFAOYSA-N 0 0 205.213 2.268 10 0 BEAERN Cc1cc(Cn2cccc2C=O)ccn1 ZINC000307603382 398179305 /nfs/dbraw/zinc/17/93/05/398179305.db2.gz ZSGGGFGHNRUGSF-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN CCC(CC)C(=O)NCCCCCC(=O)OC ZINC000036816093 168336985 /nfs/dbraw/zinc/33/69/85/168336985.db2.gz UKILOCJFKQARAZ-UHFFFAOYSA-N 0 0 243.347 2.272 10 0 BEAERN Cc1cc(Cl)cc(C(=O)N2CCCO2)c1 ZINC000125443109 178063011 /nfs/dbraw/zinc/06/30/11/178063011.db2.gz HMJYERTXXMGTFA-UHFFFAOYSA-N 0 0 225.675 2.426 10 0 BEAERN Cc1cc(Cl)cc(C)c1OCCC(N)=O ZINC000043639341 178063573 /nfs/dbraw/zinc/06/35/73/178063573.db2.gz MSTAJLBXGRVSFG-UHFFFAOYSA-N 0 0 227.691 2.211 10 0 BEAERN Cc1cc(Cl)cc2c1O[C@@H](C)C(=O)N2 ZINC000062525393 178065120 /nfs/dbraw/zinc/06/51/20/178065120.db2.gz OBJDYNSSYXLPQP-LURJTMIESA-N 0 0 211.648 2.368 10 0 BEAERN CN(Cc1nccs1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390155745 398164612 /nfs/dbraw/zinc/16/46/12/398164612.db2.gz WMNNTZXVYJAHBW-GHMZBOCLSA-N 0 0 240.372 2.126 10 0 BEAERN Cc1cc(Cl)ccc1O[C@H](C)CO ZINC000041210501 178069683 /nfs/dbraw/zinc/06/96/83/178069683.db2.gz WTUCFSCITKWDTP-MRVPVSSYSA-N 0 0 200.665 2.408 10 0 BEAERN C[C@@H]1C[C@H](C)Cc2c1nc1scnn21 ZINC000232280677 398166334 /nfs/dbraw/zinc/16/63/34/398166334.db2.gz YJJDZWXUJQULCO-NKWVEPMBSA-N 0 0 207.302 2.477 10 0 BEAERN Cc1cc(F)ccc1-c1nnc(N)s1 ZINC000034224507 178080978 /nfs/dbraw/zinc/08/09/78/178080978.db2.gz NUOBXTDWTWLCBE-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCCOC1 ZINC000135334564 178083999 /nfs/dbraw/zinc/08/39/99/178083999.db2.gz PKANRZITYAHPBU-LLVKDONJSA-N 0 0 237.274 2.043 10 0 BEAERN Cc1cc(F)ccc1NCCC(=O)NC1CC1 ZINC000054049524 178089429 /nfs/dbraw/zinc/08/94/29/178089429.db2.gz LOPINFYZOKBXAD-UHFFFAOYSA-N 0 0 236.290 2.215 10 0 BEAERN Cc1cc(F)ccc1N[C@@H]1CCC[C@H]1O ZINC000037689944 178090629 /nfs/dbraw/zinc/09/06/29/178090629.db2.gz IAHNCZJUMBSEGT-VXGBXAGGSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1cc(F)ccc1N[C@H]1CCC[C@@H]1O ZINC000037689943 178090943 /nfs/dbraw/zinc/09/09/43/178090943.db2.gz IAHNCZJUMBSEGT-RYUDHWBXSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1cc(N(C)C[C@@H](O)C2CC2)nc(C(C)C)n1 ZINC000301668335 178099258 /nfs/dbraw/zinc/09/92/58/178099258.db2.gz PJMTZXRJNHAIFR-GFCCVEGCSA-N 0 0 249.358 2.116 10 0 BEAERN Cc1cc(N(C)N)ccc1Br ZINC000041228012 178100657 /nfs/dbraw/zinc/10/06/57/178100657.db2.gz CQMLXILEHQFNNJ-UHFFFAOYSA-N 0 0 215.094 2.067 10 0 BEAERN CCC[C@@H](CN[C@@H](C)c1ncc(C)o1)OC ZINC000386014326 398195191 /nfs/dbraw/zinc/19/51/91/398195191.db2.gz NGVJGWDMUHWCIV-QWRGUYRKSA-N 0 0 226.320 2.449 10 0 BEAERN CCC(CC)C(=O)Nc1cc(C)c(N)cn1 ZINC000041040614 168339424 /nfs/dbraw/zinc/33/94/24/168339424.db2.gz DYJAXSBOGWLEKP-UHFFFAOYSA-N 0 0 221.304 2.347 10 0 BEAERN Cc1cc(N)ccc1C(=O)N1CC[C@@H](C)C1 ZINC000044748982 178105217 /nfs/dbraw/zinc/10/52/17/178105217.db2.gz REFYZNVZVUSODM-SECBINFHSA-N 0 0 218.300 2.059 10 0 BEAERN Cc1cc(N)ccc1NC(=O)CC1CC1 ZINC000049728697 178105245 /nfs/dbraw/zinc/10/52/45/178105245.db2.gz KJXURSFDMYLUBN-UHFFFAOYSA-N 0 0 204.273 2.316 10 0 BEAERN Cc1cc(N)ccc1NC(=O)c1ccoc1 ZINC000022141592 178105356 /nfs/dbraw/zinc/10/53/56/178105356.db2.gz SUESPABCCFSRPD-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN Cc1cc(N)ccc1S[C@H](C)C(=O)N(C)C ZINC000037193850 178106886 /nfs/dbraw/zinc/10/68/86/178106886.db2.gz DUBGNNTUEAVMON-SECBINFHSA-N 0 0 238.356 2.146 10 0 BEAERN [NH3+]C[C@@H](c1cccc(F)c1)C1(C(=O)[O-])CCC1 ZINC000536954475 398198122 /nfs/dbraw/zinc/19/81/22/398198122.db2.gz PURLBGHDCQVUCQ-NSHDSACASA-N 0 0 237.274 2.123 10 0 BEAERN Cc1cc(N)nc(Cc2cccc(F)c2)n1 ZINC000050845166 178109451 /nfs/dbraw/zinc/10/94/51/178109451.db2.gz HLAGEPFJTGOGHV-UHFFFAOYSA-N 0 0 217.247 2.097 10 0 BEAERN Cc1cc(N2CC3(CCC3(F)F)C2)nc(C)n1 ZINC000336399597 178112428 /nfs/dbraw/zinc/11/24/28/178112428.db2.gz XYZJKWDKHBEGIE-UHFFFAOYSA-N 0 0 239.269 2.329 10 0 BEAERN Cc1cc(N2CC[C@H]3CCC[C@@H]32)nc(C)n1 ZINC000336143962 178119494 /nfs/dbraw/zinc/11/94/94/178119494.db2.gz DOVKHXRBVYGGIW-NEPJUHHUSA-N 0 0 217.316 2.472 10 0 BEAERN CCC(C)(C)NC(=O)NCC[C@@H]1CCCO1 ZINC000163080382 538926665 /nfs/dbraw/zinc/92/66/65/538926665.db2.gz ITFJMWHFVHNKRL-JTQLQIEISA-N 0 0 228.336 2.043 10 0 BEAERN C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H](C)O1 ZINC000162723217 538924549 /nfs/dbraw/zinc/92/45/49/538924549.db2.gz BVEBOVCCAHWFLI-UWVGGRQHSA-N 0 0 237.343 2.058 10 0 BEAERN Cc1cc(NC(=O)C2CCCC2)ncc1N ZINC000041040647 178124681 /nfs/dbraw/zinc/12/46/81/178124681.db2.gz IHUGYDZQSDHWJV-UHFFFAOYSA-N 0 0 219.288 2.101 10 0 BEAERN O[C@@H](c1ccoc1Br)C1=COCC1 ZINC000306485799 398203915 /nfs/dbraw/zinc/20/39/15/398203915.db2.gz RRZKJAQRGGENDI-MRVPVSSYSA-N 0 0 245.072 2.380 10 0 BEAERN COC[C@@H](C)C(=O)N1c2ccccc2OC[C@H]1C ZINC000175373143 365547843 /nfs/dbraw/zinc/54/78/43/365547843.db2.gz MQEDAXKZUCJZGB-GHMZBOCLSA-N 0 0 249.310 2.083 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ncco1 ZINC000616622017 398206861 /nfs/dbraw/zinc/20/68/61/398206861.db2.gz IAZBONCBPHIDQM-SECBINFHSA-N 0 0 224.260 2.358 10 0 BEAERN CCC(CC)C(=O)Nc1ccncc1N ZINC000062725754 168341803 /nfs/dbraw/zinc/34/18/03/168341803.db2.gz SFRUMQGYSNKPLV-UHFFFAOYSA-N 0 0 207.277 2.039 10 0 BEAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)n(C)n1 ZINC000330213940 178138052 /nfs/dbraw/zinc/13/80/52/178138052.db2.gz LJIZXWAZFFDXGI-GHMZBOCLSA-N 0 0 248.330 2.135 10 0 BEAERN CCC(CC)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000034976722 168342860 /nfs/dbraw/zinc/34/28/60/168342860.db2.gz SDKKRYAJXFKXKT-UHFFFAOYSA-N 0 0 232.283 2.475 10 0 BEAERN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccco2)n(C)n1 ZINC000049376909 178149209 /nfs/dbraw/zinc/14/92/09/178149209.db2.gz DMZBZSWPTRQSST-UWVGGRQHSA-N 0 0 245.282 2.064 10 0 BEAERN Cc1cc(NCCCC(=O)N(C)C)ccc1F ZINC000061097716 178158186 /nfs/dbraw/zinc/15/81/86/178158186.db2.gz TWYANRGWJVWHHT-UHFFFAOYSA-N 0 0 238.306 2.414 10 0 BEAERN Cc1n[nH]cc1CCCNc1cc(C)c(C)nn1 ZINC000302328674 178160637 /nfs/dbraw/zinc/16/06/37/178160637.db2.gz TYQAMWNGGLIPLQ-UHFFFAOYSA-N 0 0 245.330 2.170 10 0 BEAERN Cc1cc(NCCOCC(C)C)nc(C)n1 ZINC000136092676 178162394 /nfs/dbraw/zinc/16/23/94/178162394.db2.gz YYHJFAWOVHXNMD-UHFFFAOYSA-N 0 0 223.320 2.178 10 0 BEAERN CCC(CC)CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000120715759 168345633 /nfs/dbraw/zinc/34/56/33/168345633.db2.gz FEMODGGYWYNAQH-CMPLNLGQSA-N 0 0 227.348 2.496 10 0 BEAERN Cc1cc(NC[C@@H]2CCCC[C@@H]2O)nc(C)n1 ZINC000086015652 178164543 /nfs/dbraw/zinc/16/45/43/178164543.db2.gz NVUAGSUERPTWGZ-RYUDHWBXSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(CNc2cc(C)nc(Cl)n2)no1 ZINC000052814895 178172092 /nfs/dbraw/zinc/17/20/92/178172092.db2.gz RWOLOKZWYKTXKM-UHFFFAOYSA-N 0 0 238.678 2.347 10 0 BEAERN Cc1cc2ncnn2c(NCc2ccccn2)c1 ZINC000035047906 178172715 /nfs/dbraw/zinc/17/27/15/178172715.db2.gz WYQHIIGQWJWEPY-UHFFFAOYSA-N 0 0 239.282 2.045 10 0 BEAERN Cc1cc(NCc2ccc(O)cc2)nn1C ZINC000020352735 178172833 /nfs/dbraw/zinc/17/28/33/178172833.db2.gz SNIHZEHIJZOURH-UHFFFAOYSA-N 0 0 217.272 2.046 10 0 BEAERN Cc1nc(CNc2cc(C)ncn2)c(C)s1 ZINC000301830723 178176493 /nfs/dbraw/zinc/17/64/93/178176493.db2.gz HVZSJYCCCLNPJA-UHFFFAOYSA-N 0 0 234.328 2.470 10 0 BEAERN Cc1noc(CNc2cc(C)nc(C(C)C)n2)n1 ZINC000038035118 178176768 /nfs/dbraw/zinc/17/67/68/178176768.db2.gz WXLZSURTRHKUTN-UHFFFAOYSA-N 0 0 247.302 2.212 10 0 BEAERN Cc1csc(CNc2cc(C)ncn2)n1 ZINC000040727388 178177086 /nfs/dbraw/zinc/17/70/86/178177086.db2.gz WWWBFAWYVOBENS-UHFFFAOYSA-N 0 0 220.301 2.162 10 0 BEAERN Cc1cc(Nc2ccc3c(c2)OCO3)ncc1N ZINC000036251327 178191975 /nfs/dbraw/zinc/19/19/75/178191975.db2.gz MZHMQXDDAGXMCZ-UHFFFAOYSA-N 0 0 243.266 2.445 10 0 BEAERN Cc1cc(O)cc(I)c1 ZINC000079019693 178199944 /nfs/dbraw/zinc/19/99/44/178199944.db2.gz WLXVFUZRNVZSRB-UHFFFAOYSA-N 0 0 234.036 2.305 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189664115 178200669 /nfs/dbraw/zinc/20/06/69/178200669.db2.gz TXZKXHUQIJGJHX-JQWIXIFHSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(OCCC(N)=O)ccc1C(C)C ZINC000033433534 178209398 /nfs/dbraw/zinc/20/93/98/178209398.db2.gz GOGGDUKMIHRXDZ-UHFFFAOYSA-N 0 0 221.300 2.373 10 0 BEAERN Cc1cc(Oc2cccc(N)c2)ncn1 ZINC000011849400 178215683 /nfs/dbraw/zinc/21/56/83/178215683.db2.gz YKXNBQYXFDRVNK-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CC1CN(Cc2coc(Br)c2)C1 ZINC000306642571 361771430 /nfs/dbraw/zinc/77/14/30/361771430.db2.gz UBVBNEWZNCWUFJ-UHFFFAOYSA-N 0 0 230.105 2.494 10 0 BEAERN Fc1cncc(-c2nnc(Br)o2)c1 ZINC000157842140 398237059 /nfs/dbraw/zinc/23/70/59/398237059.db2.gz JTWFOGPFHBALAQ-UHFFFAOYSA-N 0 0 244.023 2.033 10 0 BEAERN Cc1cc([C@H]2CC[C@@H](C(=O)[O-])[NH2+]2)ccc1F ZINC000083041375 178268521 /nfs/dbraw/zinc/26/85/21/178268521.db2.gz JLZSWSGNKFRYFD-MNOVXSKESA-N 0 0 223.247 2.012 10 0 BEAERN Cc1cc2ccccc2c(C(N)=S)n1 ZINC000082769398 178297278 /nfs/dbraw/zinc/29/72/78/178297278.db2.gz SBARCPQOIIHTFU-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN Cc1cc2n[nH]cc2c(=O)n1Cc1ccccc1 ZINC000072416712 178300232 /nfs/dbraw/zinc/30/02/32/178300232.db2.gz ZCIOBZAMQAUFBV-UHFFFAOYSA-N 0 0 239.278 2.081 10 0 BEAERN CCc1ccc([C@H](N)c2cscn2)o1 ZINC000062357057 398248792 /nfs/dbraw/zinc/24/87/92/398248792.db2.gz AHAKEHRARHMXFB-SNVBAGLBSA-N 0 0 208.286 2.347 10 0 BEAERN CCCCN1Cc2cccc(N)c2C1=O ZINC000168247401 538944845 /nfs/dbraw/zinc/94/48/45/538944845.db2.gz ANUNEVHLBVGFPU-UHFFFAOYSA-N 0 0 204.273 2.025 10 0 BEAERN CCC(CC)CNc1ccc2c(c1)C(=O)NC2=O ZINC000019966441 168365679 /nfs/dbraw/zinc/36/56/79/168365679.db2.gz ZXRFLPCQMYBYHW-UHFFFAOYSA-N 0 0 246.310 2.418 10 0 BEAERN Cc1cc2oc(=O)cc([O-])c2c(C)c1C ZINC000200259882 178307512 /nfs/dbraw/zinc/30/75/12/178307512.db2.gz SKASSVARNXDRMC-UHFFFAOYSA-N 0 0 204.225 2.424 10 0 BEAERN Cc1ccc(-c2cc(CO)[nH]n2)c(C)c1 ZINC000036157421 178320257 /nfs/dbraw/zinc/32/02/57/178320257.db2.gz LPJMAASDHULMDS-UHFFFAOYSA-N 0 0 202.257 2.186 10 0 BEAERN Cc1ccc(-c2cc(CO)[nH]n2)cc1C ZINC000036157409 178320673 /nfs/dbraw/zinc/32/06/73/178320673.db2.gz DJQCYWWGMFNODO-UHFFFAOYSA-N 0 0 202.257 2.186 10 0 BEAERN Cc1ncsc1[C@H](NN)c1cccs1 ZINC000128555174 349538108 /nfs/dbraw/zinc/53/81/08/349538108.db2.gz RPQNWRGCSDHTQG-MRVPVSSYSA-N 0 0 225.342 2.066 10 0 BEAERN Cc1ccc(-c2n[nH]c(C3CC3)n2)cc1N ZINC000041058773 178332709 /nfs/dbraw/zinc/33/27/09/178332709.db2.gz XSWLGPUKMJCDSZ-UHFFFAOYSA-N 0 0 214.272 2.240 10 0 BEAERN Cc1ccc(-n2nnc(CO)c2C(C)C)cc1C ZINC000045892175 178349650 /nfs/dbraw/zinc/34/96/50/178349650.db2.gz XCKFDYVWJIXHTQ-UHFFFAOYSA-N 0 0 245.326 2.500 10 0 BEAERN Cc1ccc(-c2ncn(C)c2N)c(C)c1 ZINC000104846809 178339824 /nfs/dbraw/zinc/33/98/24/178339824.db2.gz FOCQWAVLBXIWTO-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1ccc(-c2nnc([C@H](C)N)o2)c(F)c1 ZINC000083351100 178341172 /nfs/dbraw/zinc/34/11/72/178341172.db2.gz PCAZHKYBADFPOD-ZETCQYMHSA-N 0 0 221.235 2.204 10 0 BEAERN Cc1ccc(-c2n[nH]c(=S)n2C)c(C)n1 ZINC000082480635 178331714 /nfs/dbraw/zinc/33/17/14/178331714.db2.gz BJJXZLULTYCXKS-UHFFFAOYSA-N 0 0 220.301 2.157 10 0 BEAERN Cc1ccc(/C=C/c2noc(CN)n2)cc1C ZINC000073641112 178356249 /nfs/dbraw/zinc/35/62/49/178356249.db2.gz YDDDZHAMFNGCRX-AATRIKPKSA-N 0 0 229.283 2.316 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@@H]2C[C@@H]2C)cc1O ZINC000104423954 178378738 /nfs/dbraw/zinc/37/87/38/178378738.db2.gz HMHIMZSXGJREBU-JQWIXIFHSA-N 0 0 233.311 2.429 10 0 BEAERN Nc1ccn(Cc2cc(Cl)ccc2F)n1 ZINC000231106728 538952227 /nfs/dbraw/zinc/95/22/27/538952227.db2.gz OZXSGHDKYFCCRE-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CCC(CC)N(CCO)C(=O)[C@H]1CC=CCC1 ZINC000042506973 168374058 /nfs/dbraw/zinc/37/40/58/168374058.db2.gz RPTVXVQCAFUBNX-LBPRGKRZSA-N 0 0 239.359 2.352 10 0 BEAERN Cc1ccc(C(=O)CN2CCO[C@@H](C)C2)c(C)c1 ZINC000037332701 178372751 /nfs/dbraw/zinc/37/27/51/178372751.db2.gz SZLJOOSANHNFIO-ZDUSSCGKSA-N 0 0 247.338 2.207 10 0 BEAERN CC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000204584175 538953934 /nfs/dbraw/zinc/95/39/34/538953934.db2.gz ROYJUNIRZXQXCQ-QMMMGPOBSA-N 0 0 227.304 2.078 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000005543541 178399414 /nfs/dbraw/zinc/39/94/14/178399414.db2.gz RNJBEYWCUZHHLH-RYUDHWBXSA-N 0 0 233.311 2.244 10 0 BEAERN O=C(NCCCC(F)(F)F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252703805 346838376 /nfs/dbraw/zinc/83/83/76/346838376.db2.gz LCZOIKNHISSWGI-AYMMMOKOSA-N 0 0 235.249 2.491 10 0 BEAERN C[C@H](C(=O)C1CC1)N(C)C(=O)OC(C)(C)C ZINC000405508112 538960029 /nfs/dbraw/zinc/96/00/29/538960029.db2.gz QJDRNRUOZPFHCW-MRVPVSSYSA-N 0 0 227.304 2.221 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)CC1CC1 ZINC000405579549 538960568 /nfs/dbraw/zinc/96/05/68/538960568.db2.gz NENMAKXYOGOGPO-QMMMGPOBSA-N 0 0 227.304 2.269 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1C ZINC000051989788 178424617 /nfs/dbraw/zinc/42/46/17/178424617.db2.gz NHKBWFULAZNTGA-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN CC[C@@H](C)[C@@H](C)n1c(N)n[nH]c1=S ZINC000070882715 361850883 /nfs/dbraw/zinc/85/08/83/361850883.db2.gz MDJKUTWQDJHETJ-PHDIDXHHSA-N 0 0 200.311 2.130 10 0 BEAERN CC(=O)C1=C(O)CC[C@@H](c2cccnc2)C1 ZINC000144023672 342695217 /nfs/dbraw/zinc/69/52/17/342695217.db2.gz YHMBTWNQVFIUHF-ZYHUDNBSSA-N 0 0 217.268 2.123 10 0 BEAERN Cc1cc(N[C@H](C)C(C)C)ccc1-n1cnnn1 ZINC000037104060 538961754 /nfs/dbraw/zinc/96/17/54/538961754.db2.gz IYHQLWYMNNRNEB-LLVKDONJSA-N 0 0 245.330 2.427 10 0 BEAERN C[C@H]1C[C@@H](C(=O)NC2(CO)CC2)CC(C)(C)C1 ZINC000182898843 538964646 /nfs/dbraw/zinc/96/46/46/538964646.db2.gz FQKUQSQSBRZJGL-WDEREUQCSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC000618589778 342731587 /nfs/dbraw/zinc/73/15/87/342731587.db2.gz FNIDVVYXERQHNP-DKIAZLNASA-N 0 0 229.270 2.194 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(-c2ccco2)nn1C ZINC000034902831 342732912 /nfs/dbraw/zinc/73/29/12/342732912.db2.gz DURRNSUMYZTGAT-SECBINFHSA-N 0 0 247.298 2.208 10 0 BEAERN CCC(CC)NC(=O)c1ccc(COC)o1 ZINC000119828681 168385658 /nfs/dbraw/zinc/38/56/58/168385658.db2.gz JETTXVWEFJEGGC-UHFFFAOYSA-N 0 0 225.288 2.344 10 0 BEAERN C[C@@H](c1cccs1)N1CN=NC1=S ZINC000035737202 342757805 /nfs/dbraw/zinc/75/78/05/342757805.db2.gz WEMDADRPOYMZQW-LURJTMIESA-N 0 0 211.315 2.238 10 0 BEAERN COc1ccc(C(=O)[C@H](O)c2ccncc2)cc1 ZINC000145243093 342760624 /nfs/dbraw/zinc/76/06/24/342760624.db2.gz ODEZCCSLRNDOFT-CQSZACIVSA-N 0 0 243.262 2.007 10 0 BEAERN NN(C(=[NH2+])c1ccccc1)c1ccccc1 ZINC000145332643 342760960 /nfs/dbraw/zinc/76/09/60/342760960.db2.gz UUOVEMDVDIRIJV-UHFFFAOYSA-N 0 0 211.268 2.392 10 0 BEAERN C[C@@H]1COc2ccc(Br)nc2N1 ZINC000145671455 342762490 /nfs/dbraw/zinc/76/24/90/342762490.db2.gz ZCRJFYVKESHJQN-RXMQYKEDSA-N 0 0 229.077 2.037 10 0 BEAERN C[C@H]1Nc2cc(F)c(Cl)cc2NC1=O ZINC000035882250 342762541 /nfs/dbraw/zinc/76/25/41/342762541.db2.gz WADZYYLDJMYNEA-SCSAIBSYSA-N 0 0 214.627 2.232 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1F ZINC000075524581 178434812 /nfs/dbraw/zinc/43/48/12/178434812.db2.gz LGGIIAHVLCNTAE-KWQFWETISA-N 0 0 207.248 2.272 10 0 BEAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)(C)O ZINC000039218603 538969647 /nfs/dbraw/zinc/96/96/47/538969647.db2.gz KSLZADBTZRFXGH-MRVPVSSYSA-N 0 0 241.718 2.229 10 0 BEAERN COC(=O)c1ccc(-c2cnco2)s1 ZINC000146651633 342771198 /nfs/dbraw/zinc/77/11/98/342771198.db2.gz CSQXMNHEBPUASY-UHFFFAOYSA-N 0 0 209.226 2.190 10 0 BEAERN CCc1nc2nc(N)[nH]c(=S)c2cc1C ZINC000006168650 342774771 /nfs/dbraw/zinc/77/47/71/342774771.db2.gz PZFFXJMJPZIVGE-UHFFFAOYSA-N 0 0 220.301 2.092 10 0 BEAERN CC(=O)O[C@H]1CCC[C@@H](O[C@H]2CCCCO2)C1 ZINC000035898551 342801113 /nfs/dbraw/zinc/80/11/13/342801113.db2.gz UWTJJQNJGJBMIT-XQQFMLRXSA-N 0 0 242.315 2.404 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2)CO1 ZINC000401412705 342786535 /nfs/dbraw/zinc/78/65/35/342786535.db2.gz SNQFPGYMXUKNQR-DGCLKSJQSA-N 0 0 248.326 2.053 10 0 BEAERN CCOC(=O)[C@@H]1CC=C(c2cccnc2N)CC1 ZINC000148207958 342789168 /nfs/dbraw/zinc/78/91/68/342789168.db2.gz AYLMTEUUPBIJTA-LLVKDONJSA-N 0 0 246.310 2.410 10 0 BEAERN Cc1ccc([C@H](O)c2ccc(O)cc2)nc1 ZINC000148356325 342790709 /nfs/dbraw/zinc/79/07/09/342790709.db2.gz OFEAIKKESNQESB-CYBMUJFWSA-N 0 0 215.252 2.177 10 0 BEAERN NC(=O)c1ccc(N)cc1-c1ccccc1 ZINC000148775433 342792486 /nfs/dbraw/zinc/79/24/86/342792486.db2.gz WRYYJOONXUMSCC-UHFFFAOYSA-N 0 0 212.252 2.035 10 0 BEAERN O=C(Oc1ccccn1)O[C@H]1C[C@H]2C[C@H]2C1 ZINC000148861182 342792541 /nfs/dbraw/zinc/79/25/41/342792541.db2.gz BMXMCEWDXCCGIA-MYJAWHEDSA-N 0 0 219.240 2.396 10 0 BEAERN Cc1[nH]c2nc(-c3ccoc3)[nH]c(=O)c2c1C ZINC000149655337 342793660 /nfs/dbraw/zinc/79/36/60/342793660.db2.gz PKNSTJNWLTYFQO-UHFFFAOYSA-N 0 0 229.239 2.128 10 0 BEAERN Nc1ncc(-c2cccnc2)c2cccnc12 ZINC000149900731 342794632 /nfs/dbraw/zinc/79/46/32/342794632.db2.gz NSEDOQWSMVIVKP-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN CCCNc1ncnc(OC)c1Br ZINC000233201788 342811586 /nfs/dbraw/zinc/81/15/86/342811586.db2.gz QABZPTSXNWZDGT-UHFFFAOYSA-N 0 0 246.108 2.070 10 0 BEAERN CCC(CC)Nc1ccc(C(N)=S)cn1 ZINC000019517158 168393582 /nfs/dbraw/zinc/39/35/82/168393582.db2.gz DXGONOICUGLQFW-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN O[C@H]1CCOc2cc(F)c(Cl)cc21 ZINC000134396266 342821409 /nfs/dbraw/zinc/82/14/09/342821409.db2.gz TZOWSGOGANSFHA-QMMMGPOBSA-N 0 0 202.612 2.295 10 0 BEAERN Fc1cnccc1-c1nsnc1Cl ZINC000157575287 342805256 /nfs/dbraw/zinc/80/52/56/342805256.db2.gz OAFIULCNZGDOQI-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN CN(C)c1cccc(O[C@H]2CCC[C@H]2O)c1 ZINC000044367556 538988425 /nfs/dbraw/zinc/98/84/25/538988425.db2.gz QKFLHODGQJTEGU-OLZOCXBDSA-N 0 0 221.300 2.045 10 0 BEAERN CCC(CC)CNC(=O)[C@H]1CCCO[C@H]1C ZINC000191285316 538991915 /nfs/dbraw/zinc/99/19/15/538991915.db2.gz YEKTZTOUGQANRN-JQWIXIFHSA-N 0 0 227.348 2.354 10 0 BEAERN CC(C)N(C(=O)[C@H]1CCCO[C@H]1C)C1CC1 ZINC000191193734 538992050 /nfs/dbraw/zinc/99/20/50/538992050.db2.gz JCLWBBOLLCHTKX-JQWIXIFHSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CCCC1 ZINC000191679191 538993326 /nfs/dbraw/zinc/99/33/26/538993326.db2.gz UWZFKQQWCLRSQN-JQWIXIFHSA-N 0 0 225.332 2.203 10 0 BEAERN Cc1ccc(-n2cnnc2Cl)cc1F ZINC000071053067 361937576 /nfs/dbraw/zinc/93/75/76/361937576.db2.gz HWKYQDXAFQIVDJ-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN O[C@H]1CCCC[C@H]1CN=c1[nH]cc(Cl)s1 ZINC000379926410 538981959 /nfs/dbraw/zinc/98/19/59/538981959.db2.gz LQFOLPRUGUGFPR-YUMQZZPRSA-N 0 0 246.763 2.181 10 0 BEAERN Cc1ccccc1Cn1cnnc1Cl ZINC000071054254 361938446 /nfs/dbraw/zinc/93/84/46/361938446.db2.gz IOCDIVLVAXTKJG-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN Cc1nnc(Cl)n1Cc1ccsc1 ZINC000071055930 361939021 /nfs/dbraw/zinc/93/90/21/361939021.db2.gz KPCNBXIZTWJGJG-UHFFFAOYSA-N 0 0 213.693 2.350 10 0 BEAERN CCc1nnc(Cl)n1C[C@@H]1CCCCO1 ZINC000071056069 361939572 /nfs/dbraw/zinc/93/95/72/361939572.db2.gz HMMUJXVIFJGHQG-QMMMGPOBSA-N 0 0 229.711 2.063 10 0 BEAERN Cc1nn(C)c(C)c1-c1nnc(Cl)s1 ZINC000071050517 361940377 /nfs/dbraw/zinc/94/03/77/361940377.db2.gz ZCFMZLZVVXWBGL-UHFFFAOYSA-N 0 0 228.708 2.209 10 0 BEAERN COc1ncccc1-c1nnc(Cl)s1 ZINC000071050985 361942007 /nfs/dbraw/zinc/94/20/07/361942007.db2.gz MUVQWPYIWQFZIS-UHFFFAOYSA-N 0 0 227.676 2.262 10 0 BEAERN CN(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000193181995 539002925 /nfs/dbraw/zinc/00/29/25/539002925.db2.gz IFUIPYVYSIZEAJ-HTQZYQBOSA-N 0 0 238.253 2.379 10 0 BEAERN CCC[C@H](c1ccc(Cl)cc1)S(N)(=O)=O ZINC000050350554 539010690 /nfs/dbraw/zinc/01/06/90/539010690.db2.gz SLFUNIIZVHDJEJ-SNVBAGLBSA-N 0 0 247.747 2.470 10 0 BEAERN NS(=O)(=O)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000050350703 539010849 /nfs/dbraw/zinc/01/08/49/539010849.db2.gz XHJFCDVSFCRXLT-NEPJUHHUSA-N 0 0 245.388 2.414 10 0 BEAERN NS(=O)(=O)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000050349589 539010975 /nfs/dbraw/zinc/01/09/75/539010975.db2.gz GQYFPDFPCXPBHI-NWDGAFQWSA-N 0 0 239.340 2.001 10 0 BEAERN NS(=O)(=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000050349588 539011036 /nfs/dbraw/zinc/01/10/36/539011036.db2.gz GQYFPDFPCXPBHI-NEPJUHHUSA-N 0 0 239.340 2.001 10 0 BEAERN CNc1ccc2ncc(-c3cccc(O)c3)n2n1 ZINC000064475225 539027596 /nfs/dbraw/zinc/02/75/96/539027596.db2.gz MUGLVLYHLQNKGW-UHFFFAOYSA-N 0 0 240.266 2.144 10 0 BEAERN Nc1ncc([C@@]2(O)C[C@@H]3CC[C@@H](C3)C2)s1 ZINC000711045341 539028355 /nfs/dbraw/zinc/02/83/55/539028355.db2.gz HYFGEROFKXPUFW-AKZRSSKFSA-N 0 0 224.329 2.123 10 0 BEAERN CC[C@H](O)c1ncc(Cl)nc1Cl ZINC000164790724 342839942 /nfs/dbraw/zinc/83/99/42/342839942.db2.gz BRMKTQRFDIVNNN-BYPYZUCNSA-N 0 0 207.060 2.227 10 0 BEAERN FC1(F)CCC(C2N=NC(=S)N2)CC1 ZINC000127100007 342846318 /nfs/dbraw/zinc/84/63/18/342846318.db2.gz PXXAFMDDVDCGLI-UHFFFAOYSA-N 0 0 219.260 2.386 10 0 BEAERN CO[C@H](c1nnc(Cl)o1)c1ccccc1 ZINC000157740015 342847020 /nfs/dbraw/zinc/84/70/20/342847020.db2.gz TYQPKFRDCUIUAK-QMMMGPOBSA-N 0 0 224.647 2.459 10 0 BEAERN CC(=O)/C=C1\SCC(=O)N1c1ccccc1 ZINC000012341590 342849236 /nfs/dbraw/zinc/84/92/36/342849236.db2.gz KZDAYJOGHVTCRF-GHXNOFRVSA-N 0 0 233.292 2.197 10 0 BEAERN C[C@H]1OCC[C@@]1(O)CCc1ccsc1 ZINC000134441904 342854199 /nfs/dbraw/zinc/85/41/99/342854199.db2.gz OHXUAMFAHLSFOL-KOLCDFICSA-N 0 0 212.314 2.221 10 0 BEAERN C[C@@H]1OCC[C@@]1(O)c1ccccc1Cl ZINC000134440011 342854219 /nfs/dbraw/zinc/85/42/19/342854219.db2.gz JGTXLLULQSUCEW-KWQFWETISA-N 0 0 212.676 2.336 10 0 BEAERN CC(C)(O)C(=O)c1sccc1Cl ZINC000229929960 342855576 /nfs/dbraw/zinc/85/55/76/342855576.db2.gz AFMXOTQXCSSNBH-UHFFFAOYSA-N 0 0 204.678 2.355 10 0 BEAERN Cc1ccc(NC2=NCCCS2)cn1 ZINC000164904531 342855653 /nfs/dbraw/zinc/85/56/53/342855653.db2.gz FXQHYOYOKWQSEC-UHFFFAOYSA-N 0 0 207.302 2.295 10 0 BEAERN CCCc1[nH]c(-c2cncs2)nc1O ZINC000233403423 342861665 /nfs/dbraw/zinc/86/16/65/342861665.db2.gz TXPDSSWKOGZZSL-UHFFFAOYSA-N 0 0 209.274 2.191 10 0 BEAERN Clc1csc(NCc2cn[nH]c2)n1 ZINC000164989878 342862613 /nfs/dbraw/zinc/86/26/13/342862613.db2.gz MTINMTRNABRQFL-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN CC[S@@](=N)(=O)c1cc(F)ccc1F ZINC000521399499 398304806 /nfs/dbraw/zinc/30/48/06/398304806.db2.gz UGRNPNRIPXMFIY-CYBMUJFWSA-N 0 0 205.229 2.390 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000077102501 398305998 /nfs/dbraw/zinc/30/59/98/398305998.db2.gz OXQURTWYCJLOPI-OLZOCXBDSA-N 0 0 233.311 2.028 10 0 BEAERN Cc1nc(N[C@H]2CCO[C@H]2C)sc1C ZINC000134569015 342868917 /nfs/dbraw/zinc/86/89/17/342868917.db2.gz RSIBGVRXFDAFEA-CBAPKCEASA-N 0 0 212.318 2.349 10 0 BEAERN CNc1cccc(Br)c1C(N)=S ZINC000165022491 342869449 /nfs/dbraw/zinc/86/94/49/342869449.db2.gz LXBCLESOTSSAPY-UHFFFAOYSA-N 0 0 245.145 2.125 10 0 BEAERN Cc1cc(N[C@H](C)C[C@H](C)O)nc(Cl)n1 ZINC000165043267 342871984 /nfs/dbraw/zinc/87/19/84/342871984.db2.gz CTAQWHOROQDIID-SVRRBLITSA-N 0 0 229.711 2.010 10 0 BEAERN O[C@@H]1CSC[C@@H]1CCc1ccccc1 ZINC000134662251 342875558 /nfs/dbraw/zinc/87/55/58/342875558.db2.gz PXEPILAVXFBHNV-NWDGAFQWSA-N 0 0 208.326 2.343 10 0 BEAERN Cc1nc(C[C@H]2CSC[C@H]2O)sc1C ZINC000134663238 342875702 /nfs/dbraw/zinc/87/57/02/342875702.db2.gz PRTMJHBZAVKVMM-DTWKUNHWSA-N 0 0 229.370 2.026 10 0 BEAERN CC[C@H](NO)c1ccc(OC)cc1OC ZINC000308932452 342876822 /nfs/dbraw/zinc/87/68/22/342876822.db2.gz BYZFHNDULRNDDJ-JTQLQIEISA-N 0 0 211.261 2.134 10 0 BEAERN Clc1csc(OC[C@@H]2CCCO2)n1 ZINC000164917838 342857258 /nfs/dbraw/zinc/85/72/58/342857258.db2.gz OMONTCBSSJUIAD-LURJTMIESA-N 0 0 219.693 2.354 10 0 BEAERN CC(C)(C)ON[C@@H]1CCOC(C)(C)C1 ZINC000134479148 342857777 /nfs/dbraw/zinc/85/77/77/342857777.db2.gz KGKPCLKKIZQYLW-SECBINFHSA-N 0 0 201.310 2.264 10 0 BEAERN CCCN1C(=S)N=NC1[C@H]1CC1(C)C ZINC000233369399 342859013 /nfs/dbraw/zinc/85/90/13/342859013.db2.gz KXCMTYRZVXVWGA-SSDOTTSWSA-N 0 0 211.334 2.490 10 0 BEAERN COC(=O)Cc1c(F)cccc1OC(F)F ZINC000309169239 342899326 /nfs/dbraw/zinc/89/93/26/342899326.db2.gz KXVGKHAVIFGWPE-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN O=C1C[C@H](c2ccc(Br)c(F)c2)N1 ZINC000161944254 398319977 /nfs/dbraw/zinc/31/99/77/398319977.db2.gz NFQHBLMHUARCHG-MRVPVSSYSA-N 0 0 244.063 2.149 10 0 BEAERN CSCC(=O)N[C@H](C)CCc1ccccc1 ZINC000045671189 342899561 /nfs/dbraw/zinc/89/95/61/342899561.db2.gz CFGQMMLWVJUHPE-LLVKDONJSA-N 0 0 237.368 2.487 10 0 BEAERN Cc1nc(CSC(C)C)[nH]c(=O)c1C ZINC000060044016 342885803 /nfs/dbraw/zinc/88/58/03/342885803.db2.gz ZZCKFAOVMXPCIE-UHFFFAOYSA-N 0 0 212.318 2.028 10 0 BEAERN C[C@H](CO)Nc1ccc2ccccc2n1 ZINC000035607001 342889892 /nfs/dbraw/zinc/88/98/92/342889892.db2.gz PKQQHSVUOHBJBO-SECBINFHSA-N 0 0 202.257 2.028 10 0 BEAERN Cn1cnnc1Sc1nc(Cl)cs1 ZINC000165252197 342892947 /nfs/dbraw/zinc/89/29/47/342892947.db2.gz DRCJSJKHGWPCRN-UHFFFAOYSA-N 0 0 232.721 2.076 10 0 BEAERN Fc1ccc(NCC=C(Cl)Cl)nc1 ZINC000407110752 342893572 /nfs/dbraw/zinc/89/35/72/342893572.db2.gz HVMYBFACCQTCNW-UHFFFAOYSA-N 0 0 221.062 2.374 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000233916997 342900581 /nfs/dbraw/zinc/90/05/81/342900581.db2.gz ZJPHFWQLTUVDKE-RFZPGFLSSA-N 0 0 233.102 2.389 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1cc(Br)ncn1 ZINC000233916703 342900654 /nfs/dbraw/zinc/90/06/54/342900654.db2.gz KJYSXHVIFQPPGF-RQJHMYQMSA-N 0 0 242.120 2.450 10 0 BEAERN CCOC(=O)c1cc(Cl)c2ccncc2n1 ZINC000309176557 342903324 /nfs/dbraw/zinc/90/33/24/342903324.db2.gz XXWINXGVBMPCCQ-UHFFFAOYSA-N 0 0 236.658 2.460 10 0 BEAERN CCOC(=O)C(C)(C)Oc1cccc(NC)c1 ZINC000116491584 342927331 /nfs/dbraw/zinc/92/73/31/342927331.db2.gz QRZMNONKFYZQSK-UHFFFAOYSA-N 0 0 237.299 2.449 10 0 BEAERN CC[C@@](C)(O)C(=O)c1ccc(F)cc1F ZINC000233960742 342914639 /nfs/dbraw/zinc/91/46/39/342914639.db2.gz XVUUSFVSHBVKMG-LLVKDONJSA-N 0 0 214.211 2.309 10 0 BEAERN COC(=O)[C@H](C)N1CC2(CC2)c2ccccc21 ZINC000185302618 536628854 /nfs/dbraw/zinc/62/88/54/536628854.db2.gz BGWHTVXDPPWFMV-JTQLQIEISA-N 0 0 231.295 2.100 10 0 BEAERN O=Cc1ccc2c(ccn2C2COC2)c1 ZINC000575434371 398327835 /nfs/dbraw/zinc/32/78/35/398327835.db2.gz RXYGTSVKJNSCDF-UHFFFAOYSA-N 0 0 201.225 2.025 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCc3occc32)O1 ZINC000246073321 398330457 /nfs/dbraw/zinc/33/04/57/398330457.db2.gz SIJCRVCYAJOEEB-CDMKHQONSA-N 0 0 249.310 2.341 10 0 BEAERN CC1(C)O[C@@H]1C(=O)c1coc2ccc(O)cc12 ZINC000000163764 398332055 /nfs/dbraw/zinc/33/20/55/398332055.db2.gz DQRBAQAWVBMNKP-GFCCVEGCSA-N 0 0 232.235 2.499 10 0 BEAERN COc1cc(Cl)c(Cl)c(CO)c1 ZINC000247870288 398332299 /nfs/dbraw/zinc/33/22/99/398332299.db2.gz CTDMUTNEXOBDJX-UHFFFAOYSA-N 0 0 207.056 2.494 10 0 BEAERN Cc1cc(C)nc(NCC[C@H]2CCCO2)n1 ZINC000037982111 398335411 /nfs/dbraw/zinc/33/54/11/398335411.db2.gz HRTORIGQECKLJF-LLVKDONJSA-N 0 0 221.304 2.074 10 0 BEAERN Brc1nnc([C@H]2CCSC2)o1 ZINC000157829564 344015319 /nfs/dbraw/zinc/01/53/19/344015319.db2.gz NZWKOEAHHFXZJC-BYPYZUCNSA-N 0 0 235.106 2.053 10 0 BEAERN CC(=O)c1csc(-c2cccnc2)n1 ZINC000071508888 362004323 /nfs/dbraw/zinc/00/43/23/362004323.db2.gz CDZCFGCAFURXRP-UHFFFAOYSA-N 0 0 204.254 2.408 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)[C@H]1C[C@H]1C ZINC000246934164 342959883 /nfs/dbraw/zinc/95/98/83/342959883.db2.gz MTZPLHASNSZGLO-BZPMIXESSA-N 0 0 247.338 2.364 10 0 BEAERN COCc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000040175785 342959911 /nfs/dbraw/zinc/95/99/11/342959911.db2.gz DSDHVQRGXKDWRY-UHFFFAOYSA-N 0 0 223.663 2.272 10 0 BEAERN Nc1ccc(NCc2ccccn2)c(F)c1 ZINC000020135683 342971412 /nfs/dbraw/zinc/97/14/12/342971412.db2.gz BAEHKMFQDLSTGP-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN CC(C)c1ccc([C@@H](CCO)NO)cc1 ZINC000308764963 346910535 /nfs/dbraw/zinc/91/05/35/346910535.db2.gz YDCMVXJRZDSUSP-GFCCVEGCSA-N 0 0 209.289 2.212 10 0 BEAERN CC(C)(C)c1cccc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])c1 ZINC000083434128 259338150 /nfs/dbraw/zinc/33/81/50/259338150.db2.gz PPYHOIPPICQNPJ-QWHCGFSZSA-N 0 0 247.338 2.372 10 0 BEAERN CCOC(=O)C1(Oc2cccc(C=O)c2)CCC1 ZINC000117630919 343008576 /nfs/dbraw/zinc/00/85/76/343008576.db2.gz PSROZRCPQWBWJT-UHFFFAOYSA-N 0 0 248.278 2.364 10 0 BEAERN Cc1nc([C@H]2CCCN2c2ncccc2F)no1 ZINC000408098572 344022272 /nfs/dbraw/zinc/02/22/72/344022272.db2.gz GTHJKVGVUBIACU-SNVBAGLBSA-N 0 0 248.261 2.254 10 0 BEAERN O=C(c1cccs1)c1ccc(Cl)nn1 ZINC000021298043 343009412 /nfs/dbraw/zinc/00/94/12/343009412.db2.gz ARQPMFUQRDVDGM-UHFFFAOYSA-N 0 0 224.672 2.423 10 0 BEAERN C=CCC(C)(C)C(C(=O)OCC)C(=O)OCC ZINC000117882269 343021129 /nfs/dbraw/zinc/02/11/29/343021129.db2.gz DYOOBVZHCYWTFX-UHFFFAOYSA-N 0 0 242.315 2.331 10 0 BEAERN C[C@@H]1C[C@H](Nc2ccnc(Cl)n2)CCO1 ZINC000220110194 344023654 /nfs/dbraw/zinc/02/36/54/344023654.db2.gz AUUBUISMUFYQGS-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN CCOC(=O)[C@@H](C)c1ccnc(Cl)c1 ZINC000117691146 343012476 /nfs/dbraw/zinc/01/24/76/343012476.db2.gz ZUCIZCBNFDGLAA-ZETCQYMHSA-N 0 0 213.664 2.402 10 0 BEAERN NC(=O)[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000118120475 343040417 /nfs/dbraw/zinc/04/04/17/343040417.db2.gz NPWQFNVJAVSZPT-LBPRGKRZSA-N 0 0 246.697 2.352 10 0 BEAERN Cc1ccc(C)c(NCCC(=O)N(C)C)c1 ZINC000037897872 178483576 /nfs/dbraw/zinc/48/35/76/178483576.db2.gz XWOOCODJTVHHQN-UHFFFAOYSA-N 0 0 220.316 2.194 10 0 BEAERN CC(C)(C)Oc1ccc(Br)nn1 ZINC000072204535 343071896 /nfs/dbraw/zinc/07/18/96/343071896.db2.gz MNLDRVMUTXJLCM-UHFFFAOYSA-N 0 0 231.093 2.416 10 0 BEAERN Fc1cccc(N2CCC[C@H](n3cccn3)C2)n1 ZINC000301198403 136264958 /nfs/dbraw/zinc/26/49/58/136264958.db2.gz VHQFDYANFSIDSZ-NSHDSACASA-N 0 0 246.289 2.259 10 0 BEAERN CCn1cc([C@@H](O)c2ccsc2)cn1 ZINC000043468426 343078888 /nfs/dbraw/zinc/07/88/88/343078888.db2.gz KUSZWPWRKDRMPR-JTQLQIEISA-N 0 0 208.286 2.046 10 0 BEAERN CCc1nn2c([nH]c(=O)c3ccccc32)c1C ZINC000584880418 343080782 /nfs/dbraw/zinc/08/07/82/343080782.db2.gz AAFDICZDLJJETF-UHFFFAOYSA-N 0 0 227.267 2.047 10 0 BEAERN Cn1nc(-c2nccs2)cc1Br ZINC000584881340 343082446 /nfs/dbraw/zinc/08/24/46/343082446.db2.gz HMXPHMAMJIDBPD-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN Nc1cnc2c(F)c(F)cc(Cl)c2c1N ZINC000584882363 343084587 /nfs/dbraw/zinc/08/45/87/343084587.db2.gz DROGAENNVRBANQ-UHFFFAOYSA-N 0 0 229.617 2.331 10 0 BEAERN CC(C)n1ncc2c1ncnc2Br ZINC000584883030 343085965 /nfs/dbraw/zinc/08/59/65/343085965.db2.gz FATLHECWYIUSBC-UHFFFAOYSA-N 0 0 241.092 2.170 10 0 BEAERN C[C@@H]1CCCC[C@@H]1CNC(=O)n1ccnc1 ZINC000042866403 362034107 /nfs/dbraw/zinc/03/41/07/362034107.db2.gz ONMULJJWDJXZAM-GHMZBOCLSA-N 0 0 221.304 2.267 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)NC1CCCCC1 ZINC000013493681 343090201 /nfs/dbraw/zinc/09/02/01/343090201.db2.gz RTPQDEUTSFVABQ-LBPRGKRZSA-N 0 0 240.347 2.187 10 0 BEAERN CCCCCC(=O)Cc1cc(O)cc(=O)o1 ZINC000038192132 343090208 /nfs/dbraw/zinc/09/02/08/343090208.db2.gz GHURLXDGHMZIGJ-UHFFFAOYSA-N 0 0 224.256 2.037 10 0 in-vitro BEAERN O=C1CCSc2cc(F)cc(F)c2N1 ZINC000162407282 343075895 /nfs/dbraw/zinc/07/58/95/343075895.db2.gz INGNUHRBUZFBEJ-UHFFFAOYSA-N 0 0 215.224 2.399 10 0 BEAERN C[C@@H](O)C(=O)c1cccc(Br)c1 ZINC000013534344 343091981 /nfs/dbraw/zinc/09/19/81/343091981.db2.gz ZDKJWZVXIFZSAL-ZCFIWIBFSA-N 0 0 229.073 2.013 10 0 BEAERN C[C@H](Cc1ccco1)n1cn[nH]c1=S ZINC000042591658 362011463 /nfs/dbraw/zinc/01/14/63/362011463.db2.gz KERDLOVZUSBKDM-SSDOTTSWSA-N 0 0 209.274 2.337 10 0 BEAERN CCOC(=O)c1cc(F)c(F)cc1OC ZINC000043503487 343099962 /nfs/dbraw/zinc/09/99/62/343099962.db2.gz AFKDZIOYBCZJGA-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CCOC(OCC)C(=O)CC=C(C)C ZINC000043504084 343100261 /nfs/dbraw/zinc/10/02/61/343100261.db2.gz WGYXBDZDMQJLFH-UHFFFAOYSA-N 0 0 200.278 2.311 10 0 BEAERN Fc1ccc(-c2nnc3ccncc3n2)cc1 ZINC000026505361 343106147 /nfs/dbraw/zinc/10/61/47/343106147.db2.gz MTOKXMIUBZRWQT-UHFFFAOYSA-N 0 0 226.214 2.226 10 0 BEAERN CC1(C)C[C@H](C(=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000259389289 343107284 /nfs/dbraw/zinc/10/72/84/343107284.db2.gz LPJQJQDQBAFSQW-LBPRGKRZSA-N 0 0 233.311 2.372 10 0 BEAERN Cn1nc(-c2ccc3ccccc3n2)cc1N ZINC000142395351 343107872 /nfs/dbraw/zinc/10/78/72/343107872.db2.gz JBDSAVKTIVEXOC-UHFFFAOYSA-N 0 0 224.267 2.218 10 0 BEAERN O=C1CCc2c(ccc3ccc(O)cc32)O1 ZINC000013560935 343094165 /nfs/dbraw/zinc/09/41/65/343094165.db2.gz PADLXPXZRXQXBU-UHFFFAOYSA-N 0 0 214.220 2.397 10 0 BEAERN COC(=O)c1ccc(O)c(OC(F)(F)F)c1 ZINC000143131245 343118008 /nfs/dbraw/zinc/11/80/08/343118008.db2.gz DXSRZGRDEIGJIE-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN CCC(O)(CC)CNc1cc(C)c(C)nn1 ZINC000302253009 168425007 /nfs/dbraw/zinc/42/50/07/168425007.db2.gz AYSPUKSGMCBLFA-UHFFFAOYSA-N 0 0 223.320 2.056 10 0 BEAERN COc1ccc([C@H]2CCCCN2C(N)=O)cc1 ZINC000142924916 343114360 /nfs/dbraw/zinc/11/43/60/343114360.db2.gz FGSNTZKWODUQRB-GFCCVEGCSA-N 0 0 234.299 2.301 10 0 BEAERN C/C=C/CNP(=O)(OCC)OCC ZINC000214726740 349797643 /nfs/dbraw/zinc/79/76/43/349797643.db2.gz RBSMFNSFGFSKDE-QPJJXVBHSA-N 0 0 207.210 2.333 10 0 BEAERN C[C@@H](Nc1cncc(Cl)n1)[C@@H]1CCCO1 ZINC000043537745 343132965 /nfs/dbraw/zinc/13/29/65/343132965.db2.gz YUBXEUWQUDBPCZ-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN Clc1nccnc1N1CCCSCC1 ZINC000043537948 343133578 /nfs/dbraw/zinc/13/35/78/343133578.db2.gz CRGAPINTJBPNAG-UHFFFAOYSA-N 0 0 229.736 2.073 10 0 BEAERN Cc1cc(C(C)C)nc(NC2CC(CO)C2)n1 ZINC000631376136 343137212 /nfs/dbraw/zinc/13/72/12/343137212.db2.gz RSAAIGKUXWTIEM-UHFFFAOYSA-N 0 0 235.331 2.091 10 0 BEAERN CC(=O)Nc1ccc(NCC2CC2)c(N)c1 ZINC000165362975 343142969 /nfs/dbraw/zinc/14/29/69/343142969.db2.gz UKIZCQLIUDDBJR-UHFFFAOYSA-N 0 0 219.288 2.049 10 0 BEAERN c1[nH]nc2c1cccc2NC1CCOCC1 ZINC000037100128 343143901 /nfs/dbraw/zinc/14/39/01/343143901.db2.gz LBAAXWWZWJRTFT-UHFFFAOYSA-N 0 0 217.272 2.154 10 0 BEAERN Cc1cc(CO)cnc1CCC(F)(F)F ZINC000145464039 343180408 /nfs/dbraw/zinc/18/04/08/343180408.db2.gz HWGFSMZHFHDFCU-UHFFFAOYSA-N 0 0 219.206 2.377 10 0 BEAERN Cn1cncc1C(=O)c1cccc(Cl)c1 ZINC000126073001 343168514 /nfs/dbraw/zinc/16/85/14/343168514.db2.gz OLEGINBETAWOKE-UHFFFAOYSA-N 0 0 220.659 2.305 10 0 BEAERN COc1ccc2c(c1)O[C@H](C1CC1)CC2=O ZINC000126588308 343170522 /nfs/dbraw/zinc/17/05/22/343170522.db2.gz RNQBAKABLIQBCH-LBPRGKRZSA-N 0 0 218.252 2.439 10 0 BEAERN CC[C@H](O)c1scnc1Br ZINC000234046721 343215502 /nfs/dbraw/zinc/21/55/02/343215502.db2.gz IEVCECZFOVCNJD-BYPYZUCNSA-N 0 0 222.107 2.349 10 0 BEAERN CC1=CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000253162939 343216036 /nfs/dbraw/zinc/21/60/36/343216036.db2.gz WIIWITWQAUSKLL-ZSBIGDGJSA-N 0 0 205.301 2.211 10 0 BEAERN Cc1[nH]nc(NC(=O)c2ccc(C)nc2C)c1C ZINC000134700688 343195402 /nfs/dbraw/zinc/19/54/02/343195402.db2.gz ISINNTQKWVEXOS-UHFFFAOYSA-N 0 0 244.298 2.291 10 0 BEAERN COC(=O)CC(C)(CC(=O)OC)CC(C)C ZINC000032302547 343232013 /nfs/dbraw/zinc/23/20/13/343232013.db2.gz GMDRTCDTAZMQBC-UHFFFAOYSA-N 0 0 230.304 2.165 10 0 BEAERN C[C@H](N(C)C(=O)[C@H]1CCC[C@H]1C)C(C)(C)O ZINC000382814325 343237042 /nfs/dbraw/zinc/23/70/42/343237042.db2.gz RVCDBJXQOQLNOB-VWYCJHECSA-N 0 0 227.348 2.040 10 0 BEAERN Nc1nc(COc2ccc(F)cc2)cs1 ZINC000032629048 343239285 /nfs/dbraw/zinc/23/92/85/343239285.db2.gz KBBPRDSKTGFDBO-UHFFFAOYSA-N 0 0 224.260 2.443 10 0 BEAERN O=c1[nH]ccc2c(OC(F)(F)F)cccc12 ZINC000033358956 343252281 /nfs/dbraw/zinc/25/22/81/343252281.db2.gz QOYYLBLZOGTYBQ-UHFFFAOYSA-N 0 0 229.157 2.427 10 0 BEAERN CCCc1nc(-c2ccccc2)c[nH]c1=O ZINC000238252854 343253403 /nfs/dbraw/zinc/25/34/03/343253403.db2.gz XAEVVNNCMRIGRR-UHFFFAOYSA-N 0 0 214.268 2.389 10 0 BEAERN CCOC(=O)CC(=O)C1(c2ccccc2)CC1 ZINC000035050400 343283682 /nfs/dbraw/zinc/28/36/82/343283682.db2.gz WQANAOXITXJUTO-UHFFFAOYSA-N 0 0 232.279 2.241 10 0 BEAERN CCCn1nccc1NC(=O)NCc1ccoc1 ZINC000047794149 343265723 /nfs/dbraw/zinc/26/57/23/343265723.db2.gz JOADWXCYTQDWPH-UHFFFAOYSA-N 0 0 248.286 2.208 10 0 BEAERN CC(C)(C)OC(=O)N1CCc2cc(CO)ccc21 ZINC000034435590 343271024 /nfs/dbraw/zinc/27/10/24/343271024.db2.gz DLWRRDJYEAGSTP-UHFFFAOYSA-N 0 0 249.310 2.477 10 0 BEAERN O=C(OCc1ccccc1)N1CC[C@@H](F)C1 ZINC000034496974 343273276 /nfs/dbraw/zinc/27/32/76/343273276.db2.gz DGQYMNWQXVFIBE-LLVKDONJSA-N 0 0 223.247 2.367 10 0 BEAERN CC(C)(C)OC(=O)N1O[C@H]2C=C[C@@H]1CC2 ZINC000034547793 343274669 /nfs/dbraw/zinc/27/46/69/343274669.db2.gz KWICUYZLFNKYIA-BDAKNGLRSA-N 0 0 211.261 2.256 10 0 BEAERN CC[C@H](O)C(=O)c1sccc1Br ZINC000234060347 343277014 /nfs/dbraw/zinc/27/70/14/343277014.db2.gz BPWJGDYEYCJIQD-LURJTMIESA-N 0 0 249.129 2.464 10 0 BEAERN COCCCNc1ccc(N)cc1Cl ZINC000036926651 343277434 /nfs/dbraw/zinc/27/74/34/343277434.db2.gz HJJHFNKOBKELFO-UHFFFAOYSA-N 0 0 214.696 2.371 10 0 BEAERN COc1ccc(C(=O)SC)c(OC)c1OC ZINC000146109759 343279557 /nfs/dbraw/zinc/27/95/57/343279557.db2.gz OSDSZZGNRMDTHA-UHFFFAOYSA-N 0 0 242.296 2.216 10 0 BEAERN Cn1ccnc1CNCc1ccccc1Cl ZINC000036804573 343324646 /nfs/dbraw/zinc/32/46/46/343324646.db2.gz ZDYSAOWPROFKFY-UHFFFAOYSA-N 0 0 235.718 2.363 10 0 BEAERN Cc1ccc(C)n1C[C@H](O)c1ccc(N)cc1 ZINC000037641738 178511232 /nfs/dbraw/zinc/51/12/32/178511232.db2.gz XAIMJQRLTDAZDV-AWEZNQCLSA-N 0 0 230.311 2.421 10 0 BEAERN COC(C)(C)C[C@@H](C)Nc1cnn(C)c1 ZINC000035737453 343303172 /nfs/dbraw/zinc/30/31/72/343303172.db2.gz SRZDUFTVNPONJY-SECBINFHSA-N 0 0 211.309 2.036 10 0 BEAERN CCCc1cc(C)c(OCCO)c(C=O)c1 ZINC000146554388 343303898 /nfs/dbraw/zinc/30/38/98/343303898.db2.gz TUYNPYXYRSJLGC-UHFFFAOYSA-N 0 0 222.284 2.131 10 0 BEAERN C[C@@H](Nc1cn[nH]c1)c1ccc(O)cc1 ZINC000035763969 343304024 /nfs/dbraw/zinc/30/40/24/343304024.db2.gz ZODRJVMUMBGCGA-MRVPVSSYSA-N 0 0 203.245 2.288 10 0 BEAERN Cn1cc(-c2cnc3ccc(O)cc3c2)cn1 ZINC000146698790 343305194 /nfs/dbraw/zinc/30/51/94/343305194.db2.gz OGLRRGYPGGSKJG-UHFFFAOYSA-N 0 0 225.251 2.341 10 0 BEAERN Cc1nc(NC(=O)OC(C)(C)C)cn1C ZINC000220014283 343362347 /nfs/dbraw/zinc/36/23/47/343362347.db2.gz WAKMYFWZEZJYGK-UHFFFAOYSA-N 0 0 211.265 2.076 10 0 BEAERN C[C@@]1(c2nnc(Cl)o2)CCCS1 ZINC000157772638 343363784 /nfs/dbraw/zinc/36/37/84/343363784.db2.gz OESMMRVZIAATCP-ZETCQYMHSA-N 0 0 204.682 2.465 10 0 BEAERN Clc1cccnc1NCc1cn[nH]c1 ZINC000038006565 343364740 /nfs/dbraw/zinc/36/47/40/343364740.db2.gz SPCFVACKLMOCKU-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN CCCC[C@H](CC)CNc1ccc(=O)[nH]n1 ZINC000309440506 343372470 /nfs/dbraw/zinc/37/24/70/343372470.db2.gz IKBOSYGQKHXFDB-JTQLQIEISA-N 0 0 223.320 2.398 10 0 BEAERN O=C1CCC(c2ccc(CO)cc2)CC1 ZINC000147415432 343374715 /nfs/dbraw/zinc/37/47/15/343374715.db2.gz BQPWECSYJFKTPT-UHFFFAOYSA-N 0 0 204.269 2.406 10 0 BEAERN Cn1cc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1 ZINC000037259891 343341824 /nfs/dbraw/zinc/34/18/24/343341824.db2.gz WWRJZSGRADKFCO-VWYCJHECSA-N 0 0 203.289 2.044 10 0 BEAERN Cc1ccc(Br)cc1NC(N)=S ZINC000037368028 343343845 /nfs/dbraw/zinc/34/38/45/343343845.db2.gz KLDVRZFPJKVZAZ-UHFFFAOYSA-N 0 0 245.145 2.413 10 0 BEAERN COC(=O)c1sc(OC(C)C)nc1Cl ZINC000037473374 343346269 /nfs/dbraw/zinc/34/62/69/343346269.db2.gz PYBJQIXSZAXEER-UHFFFAOYSA-N 0 0 235.692 2.370 10 0 BEAERN O=C(c1snnc1C1CC1)N1C[C@H]2CCC[C@H]21 ZINC000335674660 136317761 /nfs/dbraw/zinc/31/77/61/136317761.db2.gz WNSNTTGKYVKXDS-RKDXNWHRSA-N 0 0 249.339 2.040 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(NO)cc1 ZINC000039087109 343382083 /nfs/dbraw/zinc/38/20/83/343382083.db2.gz NTEJFDNDHGLJGW-UHFFFAOYSA-N 0 0 209.245 2.443 10 0 BEAERN CCc1c(O)c(=O)ccn1-c1ccccc1 ZINC000039097717 343382296 /nfs/dbraw/zinc/38/22/96/343382296.db2.gz MVUCZHYYEXGYDV-UHFFFAOYSA-N 0 0 215.252 2.106 10 0 BEAERN CCOc1ccc2[nH]c3c(c2c1)COC3=O ZINC000039100316 343383546 /nfs/dbraw/zinc/38/35/46/343383546.db2.gz BFWPNKNQYURWGR-UHFFFAOYSA-N 0 0 217.224 2.237 10 0 BEAERN CCc1nc(C(F)(F)F)c(CO)s1 ZINC000039101548 343384119 /nfs/dbraw/zinc/38/41/19/343384119.db2.gz DSEQFYNAFJFGLC-UHFFFAOYSA-N 0 0 211.208 2.217 10 0 BEAERN Cn1c(=O)ccc2cccc(Br)c21 ZINC000039121456 343385733 /nfs/dbraw/zinc/38/57/33/343385733.db2.gz YKUKXVQBTWRTBB-UHFFFAOYSA-N 0 0 238.084 2.301 10 0 BEAERN CN(C)c1occc1-c1ccc(N)c(N)c1 ZINC000039127217 343386368 /nfs/dbraw/zinc/38/63/68/343386368.db2.gz ZNKUSFGFPUHPQH-UHFFFAOYSA-N 0 0 217.272 2.177 10 0 BEAERN C[C@@H](Nc1cccc(F)n1)[C@@H]1CCCO1 ZINC000040712112 343408449 /nfs/dbraw/zinc/40/84/49/343408449.db2.gz PHLFDFHPFVWECG-BDAKNGLRSA-N 0 0 210.252 2.200 10 0 BEAERN COC(=O)c1ccc(/C=C/c2ccncc2)nc1 ZINC000039121469 343423698 /nfs/dbraw/zinc/42/36/98/343423698.db2.gz BJNVALJXUXHYAB-DUXPYHPUSA-N 0 0 240.262 2.434 10 0 BEAERN Cc1nc2sc(Br)nn2c1C ZINC000041054214 343413926 /nfs/dbraw/zinc/41/39/26/343413926.db2.gz CJOZPLRANXSICB-UHFFFAOYSA-N 0 0 232.106 2.170 10 0 BEAERN CC(C)(C)[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000149361502 343424862 /nfs/dbraw/zinc/42/48/62/343424862.db2.gz OJNXQFKKSYASOY-RXMQYKEDSA-N 0 0 234.554 2.106 10 0 BEAERN O=C(Nc1ccc(F)cn1)N1C[C@@H]2CCC[C@@H]21 ZINC000335708673 136336850 /nfs/dbraw/zinc/33/68/50/136336850.db2.gz QNDHKTRJMJSPFB-WPRPVWTQSA-N 0 0 235.262 2.237 10 0 BEAERN C[C@@H]1CCCN(c2nnc(C3CC3)n2C)[C@@H]1C ZINC000335845517 136355062 /nfs/dbraw/zinc/35/50/62/136355062.db2.gz YESIKIDNUFOCSP-NXEZZACHSA-N 0 0 234.347 2.317 10 0 BEAERN O=C(c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000043505021 343476077 /nfs/dbraw/zinc/47/60/77/343476077.db2.gz OXHJGYGAXBWSOW-UHFFFAOYSA-N 0 0 232.157 2.203 10 0 BEAERN Cc1cccc2[nH]c(C[NH2+]C(C)C)nc21 ZINC000043598585 343478619 /nfs/dbraw/zinc/47/86/19/343478619.db2.gz WKPQQRPDLDFTGH-UHFFFAOYSA-N 0 0 203.289 2.369 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)ncc1C ZINC000309459760 343483901 /nfs/dbraw/zinc/48/39/01/343483901.db2.gz QPIKTVNDFLPVTG-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN O=C1CSc2c3scnc3ccc2N1 ZINC000045238044 343527065 /nfs/dbraw/zinc/52/70/65/343527065.db2.gz QRKJPBXAQZMKRJ-UHFFFAOYSA-N 0 0 222.294 2.341 10 0 BEAERN Cc1cccc(C2(O)CCC(=O)CC2)c1 ZINC000084323235 343528973 /nfs/dbraw/zinc/52/89/73/343528973.db2.gz VKWUQXIOHSUGKU-UHFFFAOYSA-N 0 0 204.269 2.326 10 0 BEAERN COc1ccccc1[C@H]1CCOCCN1C(C)=O ZINC000616657118 343531983 /nfs/dbraw/zinc/53/19/83/343531983.db2.gz MCQYDQJNQOYZJJ-CYBMUJFWSA-N 0 0 249.310 2.005 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1C(F)(F)F ZINC000616669891 343534307 /nfs/dbraw/zinc/53/43/07/343534307.db2.gz SFKNKCQZXKTJPY-LLVKDONJSA-N 0 0 245.244 2.362 10 0 BEAERN Cn1ccnc1S/C=C/C(=O)OC(C)(C)C ZINC000203544615 343534973 /nfs/dbraw/zinc/53/49/73/343534973.db2.gz NODPFAXPDNSCAS-VMPITWQZSA-N 0 0 240.328 2.368 10 0 BEAERN COC(=O)N1c2ccccc2NC[C@H]1C(F)F ZINC000616683291 343536586 /nfs/dbraw/zinc/53/65/86/343536586.db2.gz FLAMTOXSHCTFSL-VIFPVBQESA-N 0 0 242.225 2.319 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cn[nH]c1 ZINC000616690667 343541104 /nfs/dbraw/zinc/54/11/04/343541104.db2.gz BSBVVBWOFDFBSM-GFCCVEGCSA-N 0 0 214.272 2.013 10 0 BEAERN CSc1nccc(CC(=O)CC2CC2)n1 ZINC000203696981 343543542 /nfs/dbraw/zinc/54/35/42/343543542.db2.gz GTAWLTWRJFYRBT-UHFFFAOYSA-N 0 0 222.313 2.110 10 0 BEAERN CC(C)COC(=O)[C@@H](C)O[C@@H]1CCCCO1 ZINC000164689585 343544177 /nfs/dbraw/zinc/54/41/77/343544177.db2.gz UQKUUAUVNOCJBX-GHMZBOCLSA-N 0 0 230.304 2.117 10 0 BEAERN Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000122929953 178542041 /nfs/dbraw/zinc/54/20/41/178542041.db2.gz UBLLJFMVMICSFP-PWSUYJOCSA-N 0 0 237.299 2.114 10 0 BEAERN CCC(CC)C(=O)NCC[C@@H]1CCCO1 ZINC000070959600 343575668 /nfs/dbraw/zinc/57/56/68/343575668.db2.gz RTMTYEFCSFCCBE-NSHDSACASA-N 0 0 213.321 2.108 10 0 BEAERN Cn1cnc2c1ncnc2Oc1ccccc1 ZINC000204598829 343577281 /nfs/dbraw/zinc/57/72/81/343577281.db2.gz XDZUGYVBYZOFSP-UHFFFAOYSA-N 0 0 226.239 2.156 10 0 BEAERN COc1ccc2cc(C(C)(C)C)c(=O)[nH]c2n1 ZINC000165431219 343556682 /nfs/dbraw/zinc/55/66/82/343556682.db2.gz UMVQXMSVTUSHLZ-UHFFFAOYSA-N 0 0 232.283 2.229 10 0 BEAERN CCN(C(=O)[C@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000132079991 343557778 /nfs/dbraw/zinc/55/77/78/343557778.db2.gz KJVALEGTLGQQGE-ZYHUDNBSSA-N 0 0 225.332 2.345 10 0 BEAERN COCCCOc1cc([C@@H](C)O)ccc1F ZINC000204334900 343564521 /nfs/dbraw/zinc/56/45/21/343564521.db2.gz OKJDLGPVNXJSCF-SECBINFHSA-N 0 0 228.263 2.294 10 0 BEAERN CN(c1cc(Cl)ncn1)[C@@H]1CCSC1 ZINC000048631211 343585371 /nfs/dbraw/zinc/58/53/71/343585371.db2.gz WPCZDWJVVRRCSB-SSDOTTSWSA-N 0 0 229.736 2.072 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000123455345 537788136 /nfs/dbraw/zinc/78/81/36/537788136.db2.gz ONOASHVESGJOOK-WHOHXGKFSA-N 0 0 240.347 2.042 10 0 BEAERN COC(=O)[C@@H](C)Nc1cc(C)ccc1F ZINC000043626742 343617712 /nfs/dbraw/zinc/61/77/12/343617712.db2.gz GPHODMDPGDHJRP-MRVPVSSYSA-N 0 0 211.236 2.108 10 0 BEAERN CCc1nn2c(c1Br)NC[C@@H](C)C2 ZINC000234186123 343621115 /nfs/dbraw/zinc/62/11/15/343621115.db2.gz AFVCNZMCEHLGFK-ZCFIWIBFSA-N 0 0 244.136 2.270 10 0 BEAERN COc1cc(F)ccc1NCc1nccn1C ZINC000049567181 343603296 /nfs/dbraw/zinc/60/32/96/343603296.db2.gz GICFKXGMEXGDFD-UHFFFAOYSA-N 0 0 235.262 2.180 10 0 BEAERN Cc1ccc(CN(C)Cc2noc(C3CC3)n2)o1 ZINC000053603071 178553720 /nfs/dbraw/zinc/55/37/20/178553720.db2.gz DQEPIYDNIZWLAS-UHFFFAOYSA-N 0 0 247.298 2.480 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCCC2(C)C ZINC000234599735 343605254 /nfs/dbraw/zinc/60/52/54/343605254.db2.gz WSJBHMDYSNHBJR-UWVGGRQHSA-N 0 0 218.680 2.074 10 0 BEAERN Cc1ccc(C(=O)C2CCOCC2)c(N)c1 ZINC000204921567 343606870 /nfs/dbraw/zinc/60/68/70/343606870.db2.gz NKNJRALSHFATDC-UHFFFAOYSA-N 0 0 219.284 2.187 10 0 BEAERN CC(=O)N1Cc2cn(C)c3cccc(c23)C1 ZINC000196800581 343635018 /nfs/dbraw/zinc/63/50/18/343635018.db2.gz DUQYMKDEGJBWAR-UHFFFAOYSA-N 0 0 214.268 2.040 10 0 BEAERN Cc1ccn(-c2ncccc2Br)n1 ZINC000052885086 343641201 /nfs/dbraw/zinc/64/12/01/343641201.db2.gz AATAMJNKIJWQMH-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1ccc(C)n1-c1cc(Cl)n(C)n1 ZINC000079272804 343642405 /nfs/dbraw/zinc/64/24/05/343642405.db2.gz KPIDXRKBYPMQDL-UHFFFAOYSA-N 0 0 209.680 2.481 10 0 BEAERN COC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000205281795 343622295 /nfs/dbraw/zinc/62/22/95/343622295.db2.gz YQNAUGYENARGLY-VIFPVBQESA-N 0 0 239.702 2.339 10 0 BEAERN CCOC(=O)c1cncnc1Nc1ccccc1 ZINC000196184977 343629131 /nfs/dbraw/zinc/62/91/31/343629131.db2.gz CSCYNOHZTKBYKB-UHFFFAOYSA-N 0 0 243.266 2.397 10 0 BEAERN CCCOc1ccc2c(c1)C(=O)[C@H](C)O2 ZINC000043633160 343632130 /nfs/dbraw/zinc/63/21/30/343632130.db2.gz CDMNSBJQQFDTPZ-QMMMGPOBSA-N 0 0 206.241 2.439 10 0 BEAERN O=C(N[C@@H]1CCCCO1)OCc1ccccc1 ZINC000034567019 346951359 /nfs/dbraw/zinc/95/13/59/346951359.db2.gz FAHMIAUYPXDKIX-LBPRGKRZSA-N 0 0 235.283 2.439 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@H](C)CC2 ZINC000300033146 537801150 /nfs/dbraw/zinc/80/11/50/537801150.db2.gz WPUVWTAERXMFBE-LSJOCFKGSA-N 0 0 232.707 2.464 10 0 BEAERN Cc1cc2n(n1)[C@H]([C@@H]1CC[C@H](C)O1)CCN2 ZINC000300016573 537801527 /nfs/dbraw/zinc/80/15/27/537801527.db2.gz NKANFZHUUQPZJB-DCAQKATOSA-N 0 0 221.304 2.116 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccsc1[N+](=O)[O-] ZINC000379926472 343655628 /nfs/dbraw/zinc/65/56/28/343655628.db2.gz LQYDGQPLLUXVCA-RQJHMYQMSA-N 0 0 228.273 2.246 10 0 BEAERN CC(=O)N(C)c1ccc(Br)cc1N ZINC000234208588 343662880 /nfs/dbraw/zinc/66/28/80/343662880.db2.gz JHCLNNRDHYSWST-UHFFFAOYSA-N 0 0 243.104 2.014 10 0 BEAERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000077103031 343666694 /nfs/dbraw/zinc/66/66/94/343666694.db2.gz FDHGZYBTCUPUIM-OLZOCXBDSA-N 0 0 248.326 2.420 10 0 BEAERN Nc1ncc([C@]2(O)C[C@@H]3CC[C@@H](C3)C2)s1 ZINC000711045346 537800176 /nfs/dbraw/zinc/80/01/76/537800176.db2.gz HYFGEROFKXPUFW-VROVMSAKSA-N 0 0 224.329 2.123 10 0 BEAERN C=CC(=O)N1N=Cc2ccccc2[C@H]1C ZINC000199459569 343697254 /nfs/dbraw/zinc/69/72/54/343697254.db2.gz SNKYIOMNMJROFS-SECBINFHSA-N 0 0 200.241 2.110 10 0 BEAERN Nc1ccc(N2CCC[C@H]2c2cccnc2)nc1 ZINC000036132040 343681790 /nfs/dbraw/zinc/68/17/90/343681790.db2.gz FFJVZYDOEAHLMP-ZDUSSCGKSA-N 0 0 240.310 2.400 10 0 BEAERN Clc1nsnc1SC1CCOCC1 ZINC000062054767 343732689 /nfs/dbraw/zinc/73/26/89/343732689.db2.gz OQYAZJZSWOHTOE-UHFFFAOYSA-N 0 0 236.749 2.463 10 0 BEAERN Nc1ccc(C(=O)OC(F)F)cc1Cl ZINC000135067984 343710167 /nfs/dbraw/zinc/71/01/67/343710167.db2.gz WWJVVVCCFVAULL-UHFFFAOYSA-N 0 0 221.590 2.302 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C)(O)C1 ZINC000217776152 343766041 /nfs/dbraw/zinc/76/60/41/343766041.db2.gz MMMVAIAUVIUSBN-JOYOIKCWSA-N 0 0 229.320 2.205 10 0 BEAERN FC(F)(F)COc1nccnc1Cl ZINC000043536578 343780789 /nfs/dbraw/zinc/78/07/89/343780789.db2.gz DREGLSXINORLTB-UHFFFAOYSA-N 0 0 212.558 2.071 10 0 BEAERN CCOc1ccccc1[C@@H]1NCCS1 ZINC000050522789 343782025 /nfs/dbraw/zinc/78/20/25/343782025.db2.gz KOIWYOILQBSDGR-LLVKDONJSA-N 0 0 209.314 2.420 10 0 BEAERN Cn1cc(-c2cc(C=O)ccc2F)cn1 ZINC000038071853 343783148 /nfs/dbraw/zinc/78/31/48/343783148.db2.gz CNCHCTFKJCTTEW-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN Brc1cnn(C[C@@H]2CCCCO2)c1 ZINC000038074773 343783313 /nfs/dbraw/zinc/78/33/13/343783313.db2.gz BMRLMFBUTQDGRT-VIFPVBQESA-N 0 0 245.120 2.215 10 0 BEAERN O=Cc1ccc(F)c(-c2cncnc2)c1 ZINC000052886572 343789563 /nfs/dbraw/zinc/78/95/63/343789563.db2.gz HJHSEDOWAZKOSX-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN COC(=O)c1c[nH]c(C2CCCCC2)n1 ZINC000051170827 346976127 /nfs/dbraw/zinc/97/61/27/346976127.db2.gz UAMNOMASTZHHJN-UHFFFAOYSA-N 0 0 208.261 2.244 10 0 BEAERN CC(C)Oc1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC000232703349 343794266 /nfs/dbraw/zinc/79/42/66/343794266.db2.gz FDYWOZCPYDXRMB-UHFFFAOYSA-N 0 0 230.267 2.224 10 0 BEAERN O=c1cc(-c2ccccc2Cl)nc[nH]1 ZINC000236034424 343795409 /nfs/dbraw/zinc/79/54/09/343795409.db2.gz CYPVDULNSDEILE-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN CCc1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC000300051493 343796603 /nfs/dbraw/zinc/79/66/03/343796603.db2.gz LPCBRKPRYLRCBT-UHFFFAOYSA-N 0 0 200.241 2.412 10 0 BEAERN O=c1cc(Cc2cccs2)[nH]c(=S)[nH]1 ZINC000409426694 343798520 /nfs/dbraw/zinc/79/85/20/343798520.db2.gz FXEUXLHKWAGYLU-UHFFFAOYSA-N 0 0 224.310 2.123 10 0 BEAERN CCOC(=O)c1ccc(N2CCCCCC2)nn1 ZINC000409431324 343798894 /nfs/dbraw/zinc/79/88/94/343798894.db2.gz OCCNSUDLUNWOFH-UHFFFAOYSA-N 0 0 249.314 2.034 10 0 BEAERN CC[C@@H](C(=O)[O-])[NH+]1CCC(C(C)(F)F)CC1 ZINC000409426796 343799066 /nfs/dbraw/zinc/79/90/66/343799066.db2.gz IRWYXYUREORSTQ-VIFPVBQESA-N 0 0 235.274 2.217 10 0 BEAERN CCOC[C@@H]1CCCN1c1cc(Cl)ncn1 ZINC000409427554 343801199 /nfs/dbraw/zinc/80/11/99/343801199.db2.gz KVYBJOLZPCJXQJ-VIFPVBQESA-N 0 0 241.722 2.135 10 0 BEAERN CCc1cc(OC)c2cc(N)ccc2n1 ZINC000409422518 343813913 /nfs/dbraw/zinc/81/39/13/343813913.db2.gz HRUHICZTUBYQME-UHFFFAOYSA-N 0 0 202.257 2.388 10 0 BEAERN OC[C@@H](Cc1ccco1)CC(F)(F)F ZINC000409423232 343814779 /nfs/dbraw/zinc/81/47/79/343814779.db2.gz AXJQXDUREACDBC-ZETCQYMHSA-N 0 0 208.179 2.383 10 0 BEAERN F[C@H]1CN[C@H](c2nc(C3CCCC3)no2)C1 ZINC000409423398 343815320 /nfs/dbraw/zinc/81/53/20/343815320.db2.gz NZDTWGJVZPFTEM-BDAKNGLRSA-N 0 0 225.267 2.100 10 0 BEAERN Cc1ncc2c(n1)-c1sccc1NC(=O)C2 ZINC000409424095 343816821 /nfs/dbraw/zinc/81/68/21/343816821.db2.gz FDFRVNXRHWCXIT-UHFFFAOYSA-N 0 0 231.280 2.008 10 0 BEAERN CCOC[C@@H]1CCN(c2ccccc2N)C1 ZINC000409424037 343816895 /nfs/dbraw/zinc/81/68/95/343816895.db2.gz AZZFTKDABXCNAK-LLVKDONJSA-N 0 0 220.316 2.132 10 0 BEAERN CC(C)(C)N1Cc2cc(N)ccc2C1=O ZINC000238092588 537817040 /nfs/dbraw/zinc/81/70/40/537817040.db2.gz ADUQXAKJJOLHLC-UHFFFAOYSA-N 0 0 204.273 2.023 10 0 BEAERN CCN(Cc1ccccc1)c1ccc(=O)[nH]n1 ZINC000409428732 343804268 /nfs/dbraw/zinc/80/42/68/343804268.db2.gz NYOMZNUZXUAILC-UHFFFAOYSA-N 0 0 229.283 2.209 10 0 BEAERN FCC1CCN(c2cc(Cl)ncn2)CC1 ZINC000409429040 343804578 /nfs/dbraw/zinc/80/45/78/343804578.db2.gz NPIPITIHJUXPSZ-UHFFFAOYSA-N 0 0 229.686 2.316 10 0 BEAERN O=C1CC(COc2ccc(C(F)(F)F)cn2)C1 ZINC000409429671 343806212 /nfs/dbraw/zinc/80/62/12/343806212.db2.gz CZYCEPJQOCZPPU-UHFFFAOYSA-N 0 0 245.200 2.458 10 0 BEAERN Cc1nc(Cc2cccs2)cc(=O)[nH]1 ZINC000409430758 343809268 /nfs/dbraw/zinc/80/92/68/343809268.db2.gz NCMSCQBCNWHUFU-UHFFFAOYSA-N 0 0 206.270 2.143 10 0 BEAERN CC(C)c1[nH]nc(-c2ccoc2)c1CCO ZINC000409439870 343853589 /nfs/dbraw/zinc/85/35/89/343853589.db2.gz JZEGMKQUPCIPFU-UHFFFAOYSA-N 0 0 220.272 2.328 10 0 BEAERN OCCc1cn(CCF)nc1-c1cccs1 ZINC000409440942 343854645 /nfs/dbraw/zinc/85/46/45/343854645.db2.gz VXWIUEUMMOTUQE-UHFFFAOYSA-N 0 0 240.303 2.116 10 0 BEAERN CCc1[nH]nc(-c2cccs2)c1CCC(N)=O ZINC000409441258 343855513 /nfs/dbraw/zinc/85/55/13/343855513.db2.gz QKUFGSJSEIRBIL-UHFFFAOYSA-N 0 0 249.339 2.119 10 0 BEAERN Nc1ccccc1N1CC[C@@]2(C1)CCCCO2 ZINC000409433934 343830930 /nfs/dbraw/zinc/83/09/30/343830930.db2.gz ZIAFJILEFHWJGZ-CQSZACIVSA-N 0 0 232.327 2.418 10 0 BEAERN CN(CC1CC(=O)C1)C(=O)OCc1ccccc1 ZINC000409433280 343832295 /nfs/dbraw/zinc/83/22/95/343832295.db2.gz RAVHDCPBKSXZBM-UHFFFAOYSA-N 0 0 247.294 2.234 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(C)(F)F)C1 ZINC000409433401 343832621 /nfs/dbraw/zinc/83/26/21/343832621.db2.gz YEEPSCZVBTUDQZ-RKDXNWHRSA-N 0 0 235.274 2.217 10 0 BEAERN OCCn1nc(-c2cccs2)c2c1CCC2 ZINC000409436847 343841160 /nfs/dbraw/zinc/84/11/60/343841160.db2.gz BJDDIKZVPNVTIP-UHFFFAOYSA-N 0 0 234.324 2.093 10 0 BEAERN COC(=N)CCc1c(C)[nH]nc1C(F)(F)F ZINC000409437123 343842226 /nfs/dbraw/zinc/84/22/26/343842226.db2.gz DTUJLFWWVMIOHP-UHFFFAOYSA-N 0 0 235.209 2.293 10 0 BEAERN CCn1ccn2nc(-c3ccoc3)cc12 ZINC000409437607 343842249 /nfs/dbraw/zinc/84/22/49/343842249.db2.gz HQRRRRORXJMVJC-UHFFFAOYSA-N 0 0 201.229 2.416 10 0 BEAERN COC(=O)CCc1c(C2CC2)n[nH]c1C1CC1 ZINC000409442107 343857491 /nfs/dbraw/zinc/85/74/91/343857491.db2.gz WQYKAYWEPCDFTP-UHFFFAOYSA-N 0 0 234.299 2.270 10 0 BEAERN Cc1nn(C)c2c1[C@H](CO)C[C@@H](C(C)(C)C)N2 ZINC000409438554 343844929 /nfs/dbraw/zinc/84/49/29/343844929.db2.gz DAEMVKNOWWFJHC-UWVGGRQHSA-N 0 0 237.347 2.035 10 0 BEAERN CC(C)c1[nH]nc(-c2cccnc2)c1CO ZINC000409438809 343845297 /nfs/dbraw/zinc/84/52/97/343845297.db2.gz GBDZCQVLKCDEFX-UHFFFAOYSA-N 0 0 217.272 2.087 10 0 BEAERN OCCn1nc(-c2ccccc2)c2c1CCC2 ZINC000409439205 343847012 /nfs/dbraw/zinc/84/70/12/343847012.db2.gz OIPAFGVEFWKRPJ-UHFFFAOYSA-N 0 0 228.295 2.031 10 0 BEAERN COC(=O)Cn1nc(-c2ccsc2)cc1C ZINC000409439565 343847919 /nfs/dbraw/zinc/84/79/19/343847919.db2.gz IYSYBAGKWKTNOL-UHFFFAOYSA-N 0 0 236.296 2.093 10 0 BEAERN OCc1c(C2CCC2)n[nH]c1C1CCOCC1 ZINC000409439638 343848057 /nfs/dbraw/zinc/84/80/57/343848057.db2.gz JGVQNCUHOXEEGK-UHFFFAOYSA-N 0 0 236.315 2.064 10 0 BEAERN COC(=O)c1c2c(nn1C(C)C)CCCC2 ZINC000409439649 343848090 /nfs/dbraw/zinc/84/80/90/343848090.db2.gz PZFUXMHWDWZLCQ-UHFFFAOYSA-N 0 0 222.288 2.129 10 0 BEAERN COc1ccc([C@H](C(=N)NO)n2cccc2)cc1 ZINC000409439809 343848456 /nfs/dbraw/zinc/84/84/56/343848456.db2.gz IQUDRRURROYNRE-GFCCVEGCSA-N 0 0 245.282 2.042 10 0 BEAERN COc1ccc([C@@H](C(=N)NO)n2cccc2)cc1 ZINC000409439810 343848491 /nfs/dbraw/zinc/84/84/91/343848491.db2.gz IQUDRRURROYNRE-LBPRGKRZSA-N 0 0 245.282 2.042 10 0 BEAERN CCc1cc(-c2cccs2)nn1CO ZINC000409437864 343848982 /nfs/dbraw/zinc/84/89/82/343848982.db2.gz AREBHEZPRZWUDO-UHFFFAOYSA-N 0 0 208.286 2.124 10 0 BEAERN CCn1ccn2ncc(-c3cccnc3)c12 ZINC000409438070 343849785 /nfs/dbraw/zinc/84/97/85/343849785.db2.gz KBKYQWGBHAABLS-UHFFFAOYSA-N 0 0 212.256 2.218 10 0 BEAERN CC(C)c1cc(-c2ccncc2)nn1CO ZINC000409438321 343850376 /nfs/dbraw/zinc/85/03/76/343850376.db2.gz CSZOVOMIBOIUEB-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN O=Cc1c(-c2ccco2)n[nH]c1C1CC1 ZINC000409440266 343851059 /nfs/dbraw/zinc/85/10/59/343851059.db2.gz LUUDHJRAXATIBQ-UHFFFAOYSA-N 0 0 202.213 2.360 10 0 BEAERN COC(=O)c1cc2n(ccn2C2CCCC2)n1 ZINC000409440191 343851368 /nfs/dbraw/zinc/85/13/68/343851368.db2.gz WEBAZZIMUOKLEC-UHFFFAOYSA-N 0 0 233.271 2.038 10 0 BEAERN c1cc(-c2n[nH]c3c2CSCC3)ccn1 ZINC000409440485 343852270 /nfs/dbraw/zinc/85/22/70/343852270.db2.gz UBOOFPSGXNUMRQ-UHFFFAOYSA-N 0 0 217.297 2.261 10 0 BEAERN CCc1[nH]nc(-c2cccs2)c1C(=O)OC ZINC000409442196 343857263 /nfs/dbraw/zinc/85/72/63/343857263.db2.gz XMRIBXSDQFFCIL-UHFFFAOYSA-N 0 0 236.296 2.487 10 0 BEAERN Cc1ccccc1-c1cc(=S)[nH]c(=O)n1C ZINC000409440681 343852815 /nfs/dbraw/zinc/85/28/15/343852815.db2.gz YNWCAVPRKLFEJV-UHFFFAOYSA-N 0 0 232.308 2.044 10 0 BEAERN C[NH2+]Cc1cnn(CC2CC(C)(C)C2)c1 ZINC000575623474 343876396 /nfs/dbraw/zinc/87/63/96/343876396.db2.gz UDDZWNBCDQYLQU-UHFFFAOYSA-N 0 0 207.321 2.039 10 0 BEAERN Clc1cc(NCc2cc[nH]n2)c(Cl)nn1 ZINC000127164784 343883919 /nfs/dbraw/zinc/88/39/19/343883919.db2.gz HFHFUBBXGOJPBL-UHFFFAOYSA-N 0 0 244.085 2.119 10 0 BEAERN OCc1c(-c2ccco2)n[nH]c1C1CC1 ZINC000409442376 343857942 /nfs/dbraw/zinc/85/79/42/343857942.db2.gz YZTFRWMTYAEDPF-UHFFFAOYSA-N 0 0 204.229 2.039 10 0 BEAERN Cc1nn(CC[C@H]2C[C@H]2C2CC2)cc1N ZINC000714781695 537831792 /nfs/dbraw/zinc/83/17/92/537831792.db2.gz OZWDMBYBSXKWAB-QWRGUYRKSA-N 0 0 205.305 2.210 10 0 BEAERN N=C(NO)[C@H](c1ccc(F)cc1)n1cccc1 ZINC000409441567 343859661 /nfs/dbraw/zinc/85/96/61/343859661.db2.gz PTWQQLMNROSBIK-NSHDSACASA-N 0 0 233.246 2.173 10 0 BEAERN CCc1[nH]nc(-c2cccs2)c1CCO ZINC000409441619 343859947 /nfs/dbraw/zinc/85/99/47/343859947.db2.gz SHNPWZGMDPPEHE-UHFFFAOYSA-N 0 0 222.313 2.235 10 0 BEAERN Cc1cc(Br)cc([C@H](C)NN)c1 ZINC000127159373 343860001 /nfs/dbraw/zinc/86/00/01/343860001.db2.gz YLPLTDHLCZLXBH-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN COC(=N)c1cc(-c2ccsc2)n[nH]1 ZINC000409443723 343862803 /nfs/dbraw/zinc/86/28/03/343862803.db2.gz SLBIZEMAIMOWSL-UHFFFAOYSA-N 0 0 207.258 2.110 10 0 BEAERN CC(C)Cn1nc(-c2ccsc2)cc1C(N)=O ZINC000409443712 343862914 /nfs/dbraw/zinc/86/29/14/343862914.db2.gz SEINJMIXRXDTTE-UHFFFAOYSA-N 0 0 249.339 2.367 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443930 343863382 /nfs/dbraw/zinc/86/33/82/343863382.db2.gz WVAINEUUMKUMPY-UHFFFAOYSA-N 0 0 248.204 2.099 10 0 BEAERN CC(C)n1nc(-c2ccccn2)cc1C=O ZINC000409443868 343863401 /nfs/dbraw/zinc/86/34/01/343863401.db2.gz VSIAVTNHKRQDAL-UHFFFAOYSA-N 0 0 215.256 2.339 10 0 BEAERN CC(C)Cn1nc(-c2cccnc2)cc1CO ZINC000409444106 343865237 /nfs/dbraw/zinc/86/52/37/343865237.db2.gz ZZXAXBHMINPLHK-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN Clc1cc2c(c3ncccc13)OCNC2 ZINC000409443164 343866109 /nfs/dbraw/zinc/86/61/09/343866109.db2.gz IBWRFYBNNGCHFN-UHFFFAOYSA-N 0 0 220.659 2.328 10 0 BEAERN CC(C)n1nc(-c2ccncc2)cc1C=O ZINC000409443414 343867120 /nfs/dbraw/zinc/86/71/20/343867120.db2.gz MMIGBPYYABSOKQ-UHFFFAOYSA-N 0 0 215.256 2.339 10 0 BEAERN CC(C)Cn1nc(C(F)(F)F)cc1C=O ZINC000409443352 343867205 /nfs/dbraw/zinc/86/72/05/343867205.db2.gz LNBSGAVRQPCJOR-UHFFFAOYSA-N 0 0 220.194 2.370 10 0 BEAERN Cc1cc(N)nn1CC[C@H]1C[C@H]1C1CC1 ZINC000714771521 537831975 /nfs/dbraw/zinc/83/19/75/537831975.db2.gz QTJUKZLVPHEAHQ-QWRGUYRKSA-N 0 0 205.305 2.210 10 0 BEAERN C[C@@H](Oc1ccccc1)c1cc(N)ncn1 ZINC000575622264 343868944 /nfs/dbraw/zinc/86/89/44/343868944.db2.gz NKXZZZQPDDSTJM-SECBINFHSA-N 0 0 215.256 2.029 10 0 BEAERN CCC(CC)c1cc(=O)n(C2CC2)c(=O)[nH]1 ZINC000575622346 343869031 /nfs/dbraw/zinc/86/90/31/343869031.db2.gz RLMVMUXIWADRLD-UHFFFAOYSA-N 0 0 222.288 2.187 10 0 BEAERN CCCCc1cc(=O)n(C(C)(C)C)c(=O)[nH]1 ZINC000575622498 343869331 /nfs/dbraw/zinc/86/93/31/343869331.db2.gz MVRCBJNRFOOKDC-UHFFFAOYSA-N 0 0 224.304 2.047 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C ZINC000113048154 537831100 /nfs/dbraw/zinc/83/11/00/537831100.db2.gz ABUPJBWQVITJLQ-RKDXNWHRSA-N 0 0 215.293 2.031 10 0 BEAERN CCn1c(=O)cc(CC2CCCCC2)[nH]c1=O ZINC000575621979 343870320 /nfs/dbraw/zinc/87/03/20/343870320.db2.gz HIVBEWMVAYUXMH-UHFFFAOYSA-N 0 0 236.315 2.092 10 0 BEAERN Cc1nc(N)cc([C@H](C)c2ccccc2)n1 ZINC000575621823 343870351 /nfs/dbraw/zinc/87/03/51/343870351.db2.gz BJWMHRKXYKRZQQ-SECBINFHSA-N 0 0 213.284 2.349 10 0 BEAERN CCC(CC)c1cc(C(=O)OC)ncn1 ZINC000575622027 343870931 /nfs/dbraw/zinc/87/09/31/343870931.db2.gz CWTGNMSNCMQFLA-UHFFFAOYSA-N 0 0 208.261 2.167 10 0 BEAERN CC(C)CCc1nnc(Br)o1 ZINC000157804757 343885178 /nfs/dbraw/zinc/88/51/78/343885178.db2.gz UQJVBIFQYWDGIY-UHFFFAOYSA-N 0 0 219.082 2.421 10 0 BEAERN C[C@@H](O)c1c[nH]c2ncc(Br)cc12 ZINC000235236702 343873977 /nfs/dbraw/zinc/87/39/77/343873977.db2.gz OLYZITGHJFZSFB-RXMQYKEDSA-N 0 0 241.088 2.379 10 0 BEAERN Cc1c(N)cnn1CC[C@@H]1C[C@H]1C1CC1 ZINC000714785468 537833053 /nfs/dbraw/zinc/83/30/53/537833053.db2.gz XCURRFOJVMJGHA-MNOVXSKESA-N 0 0 205.305 2.210 10 0 BEAERN CN(CC1CC1)c1nc(F)c(F)cc1F ZINC000234292896 343936676 /nfs/dbraw/zinc/93/66/76/343936676.db2.gz PECCWEUFYBWPTM-UHFFFAOYSA-N 0 0 216.206 2.345 10 0 BEAERN CC[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000305991596 343937157 /nfs/dbraw/zinc/93/71/57/343937157.db2.gz UKJAZRVOLSUADU-RNJOBUHISA-N 0 0 237.343 2.060 10 0 BEAERN O=C(Nc1cnoc1)c1ccccc1F ZINC000060393537 343920720 /nfs/dbraw/zinc/92/07/20/343920720.db2.gz HFEMWDVVXHKOPB-UHFFFAOYSA-N 0 0 206.176 2.066 10 0 BEAERN CCC[C@H](NC1CSC1)C(=O)OC(C)(C)C ZINC000393741268 343921567 /nfs/dbraw/zinc/92/15/67/343921567.db2.gz HEWIMKYWGDJLHY-JTQLQIEISA-N 0 0 245.388 2.202 10 0 BEAERN COC[C@@H](C)C(=O)NCCCC(C)(C)C ZINC000126483087 343923540 /nfs/dbraw/zinc/92/35/40/343923540.db2.gz KAERJTAJRVDGLU-SNVBAGLBSA-N 0 0 215.337 2.211 10 0 BEAERN CCSCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000393764469 343923619 /nfs/dbraw/zinc/92/36/19/343923619.db2.gz PSQXMLZWXYUOTA-JGPRNRPPSA-N 0 0 227.373 2.292 10 0 BEAERN Brc1nnc(Cc2cccs2)o1 ZINC000157818857 343925886 /nfs/dbraw/zinc/92/58/86/343925886.db2.gz LZNKZRFJNLMIKL-UHFFFAOYSA-N 0 0 245.101 2.484 10 0 BEAERN Cc1cc(N(C)C)c(Br)cc1N ZINC000234264334 343933712 /nfs/dbraw/zinc/93/37/12/343933712.db2.gz IVOKFBLMQHEORY-UHFFFAOYSA-N 0 0 229.121 2.406 10 0 BEAERN Nc1cc(F)cc(S[C@@H]2CCOC2)c1 ZINC000070588932 343952691 /nfs/dbraw/zinc/95/26/91/343952691.db2.gz DLXCJZNSLDQIDP-SECBINFHSA-N 0 0 213.277 2.289 10 0 BEAERN C[C@@H]1OCC[C@@H]1SCc1cnc(N)s1 ZINC000235324089 343954901 /nfs/dbraw/zinc/95/49/01/343954901.db2.gz FNTONTNXPJYOCX-XPUUQOCRSA-N 0 0 230.358 2.136 10 0 BEAERN CC(C)(C)OC(=O)N1CC=CC(F)(F)C1 ZINC000307636936 343957480 /nfs/dbraw/zinc/95/74/80/343957480.db2.gz VJKOSCYGPGLZJU-UHFFFAOYSA-N 0 0 219.231 2.429 10 0 BEAERN O=C(Cc1ncccc1Br)C1CC1 ZINC000071003052 343958931 /nfs/dbraw/zinc/95/89/31/343958931.db2.gz PSKZINLOJVBMNX-UHFFFAOYSA-N 0 0 240.100 2.366 10 0 BEAERN C[NH2+]Cc1coc(-c2ccc(Cl)o2)n1 ZINC000234384622 343959302 /nfs/dbraw/zinc/95/93/02/343959302.db2.gz OOFINKLUGSXVNN-UHFFFAOYSA-N 0 0 212.636 2.307 10 0 BEAERN Cc1nnc(Cl)n1Cc1ccccc1F ZINC000071053023 343960025 /nfs/dbraw/zinc/96/00/25/343960025.db2.gz YOJLSHKJGVDBDO-UHFFFAOYSA-N 0 0 225.654 2.427 10 0 BEAERN C[NH2+][C@@H](C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000234415853 343964427 /nfs/dbraw/zinc/96/44/27/343964427.db2.gz WVBDFMVVQDGIDZ-MRVPVSSYSA-N 0 0 234.082 2.339 10 0 BEAERN C[C@@H]1CCS[C@H](c2cscn2)N1 ZINC000126789717 344103338 /nfs/dbraw/zinc/10/33/38/344103338.db2.gz FVJSRAREGWODJW-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN CCSc1nc(=O)c2ccsc2[nH]1 ZINC000022613287 344111767 /nfs/dbraw/zinc/11/17/67/344111767.db2.gz UCWYPKBOPVGNSI-UHFFFAOYSA-N 0 0 212.299 2.097 10 0 BEAERN CC1(C)CC(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000395168792 344118751 /nfs/dbraw/zinc/11/87/51/344118751.db2.gz FUSJRFKDCXWFJQ-ILWJIGKKSA-N 0 0 207.317 2.337 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000130003001 344102100 /nfs/dbraw/zinc/10/21/00/344102100.db2.gz PETGRZZNJLEIHM-GHMZBOCLSA-N 0 0 245.326 2.172 10 0 BEAERN CC(C)(Cn1cc(C=O)nn1)c1ccccc1 ZINC000585143420 344178484 /nfs/dbraw/zinc/17/84/84/344178484.db2.gz KUEGZSXNSGDYCX-UHFFFAOYSA-N 0 0 229.283 2.068 10 0 BEAERN O[C@H]1CC[C@@]2(COCc3ccccc3)C[C@@H]12 ZINC000080208410 344125709 /nfs/dbraw/zinc/12/57/09/344125709.db2.gz FNFNEJNVECDPID-IHRRRGAJSA-N 0 0 218.296 2.364 10 0 BEAERN CC(C)[C@H](C)Nc1ncc(C(N)=O)cc1Cl ZINC000068622577 362362543 /nfs/dbraw/zinc/36/25/43/362362543.db2.gz LFHOKDJPZJRBSI-ZETCQYMHSA-N 0 0 241.722 2.290 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CCCC2(C)C ZINC000234591877 344154857 /nfs/dbraw/zinc/15/48/57/344154857.db2.gz WSJBHMDYSNHBJR-VHSXEESVSA-N 0 0 218.680 2.074 10 0 BEAERN CSc1ncc(C(=O)C2CC2)c(Cl)n1 ZINC000218444604 344238972 /nfs/dbraw/zinc/23/89/72/344238972.db2.gz KWJMTUFUECSPNM-UHFFFAOYSA-N 0 0 228.704 2.445 10 0 BEAERN COC[C@@H](O)c1cccc(Br)c1F ZINC000234703624 344209627 /nfs/dbraw/zinc/20/96/27/344209627.db2.gz HCABKGYJQFFSIC-MRVPVSSYSA-N 0 0 249.079 2.268 10 0 BEAERN CC(C)[C@@H](C)Nc1ncc(C(N)=O)cc1Cl ZINC000068622573 362363058 /nfs/dbraw/zinc/36/30/58/362363058.db2.gz LFHOKDJPZJRBSI-SSDOTTSWSA-N 0 0 241.722 2.290 10 0 BEAERN CCOc1cccc([C@@H](O)CC[C@H]2CO2)c1 ZINC000616572051 344182578 /nfs/dbraw/zinc/18/25/78/344182578.db2.gz TVWONEYDQNRHSI-STQMWFEESA-N 0 0 222.284 2.298 10 0 BEAERN CCN(CC)c1ccc([C@H](O)C[C@H]2CO2)cc1 ZINC000616572959 344184272 /nfs/dbraw/zinc/18/42/72/344184272.db2.gz XVYRYVZKHUDUCH-UONOGXRCSA-N 0 0 235.327 2.355 10 0 BEAERN O=Cc1ccc(OCCCn2cccn2)cc1 ZINC000616576985 344199469 /nfs/dbraw/zinc/19/94/69/344199469.db2.gz BTHJDAGHPMPLBJ-UHFFFAOYSA-N 0 0 230.267 2.165 10 0 BEAERN CO[C@@H]1CCN(c2nc(Cl)ncc2Cl)C1 ZINC000234783400 344258087 /nfs/dbraw/zinc/25/80/87/344258087.db2.gz MEWFXLHNTYKTHO-ZCFIWIBFSA-N 0 0 248.113 2.009 10 0 BEAERN CCO[C@@H](C)c1nc([C@@H]2CCCO2)no1 ZINC000408227589 344264355 /nfs/dbraw/zinc/26/43/55/344264355.db2.gz XVLLUSNBMMOSAL-YUMQZZPRSA-N 0 0 212.249 2.019 10 0 BEAERN Cc1nnc2ccc(-c3cccc(C)c3)nn12 ZINC000027655982 344284010 /nfs/dbraw/zinc/28/40/10/344284010.db2.gz ZGCFXZBCEREMFO-UHFFFAOYSA-N 0 0 224.267 2.408 10 0 BEAERN O=C1CC[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000219597858 344284490 /nfs/dbraw/zinc/28/44/90/344284490.db2.gz KVGZXTCNKHHTDH-VIFPVBQESA-N 0 0 240.646 2.199 10 0 BEAERN Cc1nnc([C@@H]2CCCN2Cc2ccccc2)[nH]1 ZINC000097941173 347044486 /nfs/dbraw/zinc/04/44/86/347044486.db2.gz KTTTVCQDIAZLKK-ZDUSSCGKSA-N 0 0 242.326 2.450 10 0 BEAERN S=C1OCCc2c3ccccc3[nH]c21 ZINC000142503143 344324234 /nfs/dbraw/zinc/32/42/34/344324234.db2.gz GTCBPDQVQPHGPG-UHFFFAOYSA-N 0 0 203.266 2.416 10 0 BEAERN Oc1ccc(Cl)cc1-n1cnc2cncnc21 ZINC000220648395 344334864 /nfs/dbraw/zinc/33/48/64/344334864.db2.gz AKLRWWMTSQHMSH-UHFFFAOYSA-N 0 0 246.657 2.175 10 0 BEAERN C[C@H]1C[C@@H]1c1nsc(Br)n1 ZINC000166044522 344432565 /nfs/dbraw/zinc/43/25/65/344432565.db2.gz GSNPGFUUUPJNGV-IMJSIDKUSA-N 0 0 219.107 2.424 10 0 BEAERN CCOCC(N)=[NH+][N-]c1cccc(Cl)c1 ZINC000215549106 344377302 /nfs/dbraw/zinc/37/73/02/344377302.db2.gz XZHRHIZPSRDZKY-UHFFFAOYSA-N 0 0 227.695 2.061 10 0 BEAERN Cc1cnn(-c2cccc(Br)n2)c1 ZINC000044116926 344394278 /nfs/dbraw/zinc/39/42/78/344394278.db2.gz DCOKJKAIUKIIGQ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CC(=O)Nc1cc2c(cc1C)CC(=O)CCC2 ZINC000217863291 344403783 /nfs/dbraw/zinc/40/37/83/344403783.db2.gz JOLOJZSALPTBPJ-UHFFFAOYSA-N 0 0 231.295 2.401 10 0 BEAERN CON[C@@H]1CCOc2c(Cl)cccc21 ZINC000131273708 344406162 /nfs/dbraw/zinc/40/61/62/344406162.db2.gz MUYYRWYDCJVRAL-SECBINFHSA-N 0 0 213.664 2.315 10 0 BEAERN CO[C@H](C)c1nsc(Br)n1 ZINC000166034753 344407050 /nfs/dbraw/zinc/40/70/50/344407050.db2.gz KASXONMAPXRSPX-GSVOUGTGSA-N 0 0 223.095 2.008 10 0 BEAERN Cc1ccc(Cl)cc1[C@@H]1CNC(=O)O1 ZINC000075456620 178664843 /nfs/dbraw/zinc/66/48/43/178664843.db2.gz CKHGTKDRGQOUMW-VIFPVBQESA-N 0 0 211.648 2.429 10 0 BEAERN OCc1ccc(Br)c(Cl)c1O ZINC000216993637 344419131 /nfs/dbraw/zinc/41/91/31/344419131.db2.gz BUQVXXWYYSMBSJ-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN C/C=C/O[C@H](C)NC(=O)OC(C)(C)C ZINC000306817574 344448457 /nfs/dbraw/zinc/44/84/57/344448457.db2.gz DOJOMUSPIIHCQH-HYDMIIDASA-N 0 0 201.266 2.407 10 0 BEAERN COC(=O)c1cnc2cc(OC)ccc2c1 ZINC000380890267 344448595 /nfs/dbraw/zinc/44/85/95/344448595.db2.gz MWPAWFRYCVOTTE-UHFFFAOYSA-N 0 0 217.224 2.030 10 0 BEAERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000055910223 344449046 /nfs/dbraw/zinc/44/90/46/344449046.db2.gz UIJYZTLNZJBWHI-DGCLKSJQSA-N 0 0 239.359 2.306 10 0 BEAERN CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000055910222 344449256 /nfs/dbraw/zinc/44/92/56/344449256.db2.gz UIJYZTLNZJBWHI-AAEUAGOBSA-N 0 0 239.359 2.306 10 0 BEAERN O=C(c1ccccc1F)N1C[C@H]2CC[C@@H]1C2 ZINC000042351189 344451582 /nfs/dbraw/zinc/45/15/82/344451582.db2.gz FHTVZUJIIKNIAA-VHSXEESVSA-N 0 0 219.259 2.450 10 0 BEAERN CO[C@H](C)CNc1cc(Cl)ccc1N ZINC000223655224 344474587 /nfs/dbraw/zinc/47/45/87/344474587.db2.gz IJSAJAZFKPREJQ-SSDOTTSWSA-N 0 0 214.696 2.369 10 0 BEAERN C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000389366836 344498066 /nfs/dbraw/zinc/49/80/66/344498066.db2.gz VQMHVSQSQRJROX-HSNKUXOKSA-N 0 0 221.222 2.100 10 0 BEAERN O=C1Sc2c(cccc2Br)C1=O ZINC000230384574 344570122 /nfs/dbraw/zinc/57/01/22/344570122.db2.gz XPRAELVLURGSGG-UHFFFAOYSA-N 0 0 243.081 2.264 10 0 BEAERN C[C@@H]1C[C@@H](C)N(C2N=NC(=S)S2)C1 ZINC000158164776 344558314 /nfs/dbraw/zinc/55/83/14/344558314.db2.gz UYXSEYDKHUVYTE-PHDIDXHHSA-N 0 0 215.347 2.062 10 0 BEAERN C[C@@H]1C[C@H](C)CN1C1N=NC(=S)S1 ZINC000158164906 344558418 /nfs/dbraw/zinc/55/84/18/344558418.db2.gz UYXSEYDKHUVYTE-NTSWFWBYSA-N 0 0 215.347 2.062 10 0 BEAERN CCNC(=O)NCc1cc(C)c(C)s1 ZINC000127550049 344560863 /nfs/dbraw/zinc/56/08/63/344560863.db2.gz NVFHTQYTWLEXBR-UHFFFAOYSA-N 0 0 212.318 2.184 10 0 BEAERN CC[C@@](C)(CCO)Nc1cc(C2CC2)ncn1 ZINC000641443128 362421145 /nfs/dbraw/zinc/42/11/45/362421145.db2.gz UGQXFWQVHMYBAI-ZDUSSCGKSA-N 0 0 235.331 2.317 10 0 BEAERN C[C@@H](C1CC1)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127659532 344584683 /nfs/dbraw/zinc/58/46/83/344584683.db2.gz JPZMVDQGCVWJNP-CABZTGNLSA-N 0 0 211.305 2.114 10 0 BEAERN Nc1c(F)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000396122075 344608957 /nfs/dbraw/zinc/60/89/57/344608957.db2.gz WKKBQTCVMLELGT-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1ccc(F)c(C(F)(F)F)n1 ZINC000396126540 344609720 /nfs/dbraw/zinc/60/97/20/344609720.db2.gz NJBJALXEWOHBJH-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)cc(F)n1 ZINC000396128056 344610358 /nfs/dbraw/zinc/61/03/58/344610358.db2.gz RAERHYRJWYSACO-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CCOC(=O)Cc1c(C)cc(C)cc1C#N ZINC000396136637 344613779 /nfs/dbraw/zinc/61/37/79/344613779.db2.gz LNVBXRVDKKTNIO-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN CCOC(=O)c1cc(C)cc(C#N)c1F ZINC000396142228 344616421 /nfs/dbraw/zinc/61/64/21/344616421.db2.gz HXDFCMICWASSBB-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN N#Cc1c(F)cc(N)cc1OC(F)(F)F ZINC000396141957 344616465 /nfs/dbraw/zinc/61/64/65/344616465.db2.gz GZLOZWSQNWDLJJ-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN COC(=O)Cc1cc(F)cc(Cl)c1C#N ZINC000396143252 344616674 /nfs/dbraw/zinc/61/66/74/344616674.db2.gz APFWJZXOZXYHEN-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1c(O)ccc(Cl)c1C#N ZINC000396143027 344616694 /nfs/dbraw/zinc/61/66/94/344616694.db2.gz LCBLWYAXWOXYAQ-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN CCOC(=O)Cc1cc(F)c(C#N)cc1Cl ZINC000396143907 344617010 /nfs/dbraw/zinc/61/70/10/344617010.db2.gz BWTXPHBQUDYXHV-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)c1c(C#N)cc(Cl)cc1OC ZINC000396143395 344617166 /nfs/dbraw/zinc/61/71/66/344617166.db2.gz MNFDCIJNFWLLPV-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1cc(C#N)c(Cl)c(OC)c1 ZINC000396144577 344617678 /nfs/dbraw/zinc/61/76/78/344617678.db2.gz DQDQXBHKQAEGKJ-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN OCc1cc(OC(F)F)ncc1C(F)(F)F ZINC000396094491 344600072 /nfs/dbraw/zinc/60/00/72/344600072.db2.gz JIZDXSMOKCVTIU-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN CC(C)c1coc(I)n1 ZINC000230400106 344601387 /nfs/dbraw/zinc/60/13/87/344601387.db2.gz KKQIXHRZNKFHTQ-UHFFFAOYSA-N 0 0 237.040 2.403 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(C)c1O ZINC000396098442 344601639 /nfs/dbraw/zinc/60/16/39/344601639.db2.gz QETMAXVWUPPLPV-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)ncc1F ZINC000396116924 344606976 /nfs/dbraw/zinc/60/69/76/344606976.db2.gz WFLNJACMCXKWJT-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1cc(OC)cc(C)c1C ZINC000396118761 344607897 /nfs/dbraw/zinc/60/78/97/344607897.db2.gz ILVOYSRTPRLNFP-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN CCOC(=O)c1ccc(F)c([N+](=O)[O-])c1F ZINC000396121544 344608452 /nfs/dbraw/zinc/60/84/52/344608452.db2.gz VKOJQZTYTKLHSR-UHFFFAOYSA-N 0 0 231.154 2.050 10 0 BEAERN CC1(C)CCN(c2ncc(N)s2)CC1 ZINC000226741744 344649409 /nfs/dbraw/zinc/64/94/09/344649409.db2.gz POJQLTBBIXYYBN-UHFFFAOYSA-N 0 0 211.334 2.352 10 0 BEAERN CCCCc1nc(Br)no1 ZINC000158567110 344680253 /nfs/dbraw/zinc/68/02/53/344680253.db2.gz KKYSNJZXSNAZHZ-UHFFFAOYSA-N 0 0 205.055 2.175 10 0 BEAERN Cc1ccc(CNC(=O)n2ccnc2)s1 ZINC000050225785 344659554 /nfs/dbraw/zinc/65/95/54/344659554.db2.gz UOWNLCGCMJPHCV-UHFFFAOYSA-N 0 0 221.285 2.011 10 0 BEAERN O=C(Cc1ccc(F)cc1)c1cnsn1 ZINC000158503390 344666035 /nfs/dbraw/zinc/66/60/35/344666035.db2.gz WYYUEUNJPUCMRL-UHFFFAOYSA-N 0 0 222.244 2.103 10 0 BEAERN c1ccc(OCCCNc2cccnn2)cc1 ZINC000052831415 344669607 /nfs/dbraw/zinc/66/96/07/344669607.db2.gz JEBOKTUCPVKUGW-UHFFFAOYSA-N 0 0 229.283 2.358 10 0 BEAERN CCOC(=O)c1cc(OC)c(C#N)cc1C ZINC000396145639 344619107 /nfs/dbraw/zinc/61/91/07/344619107.db2.gz AIUMOXPLUSAKLV-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCOC(=O)Cc1ccc(F)c(C#N)c1Cl ZINC000396145980 344619732 /nfs/dbraw/zinc/61/97/32/344619732.db2.gz IRAQZXIIAKJUAF-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(C#N)cc1O ZINC000396146564 344620070 /nfs/dbraw/zinc/62/00/70/344620070.db2.gz JZCOZKCCXWPGNP-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN CCc1cc(C#N)c(CC)c(C(=O)OC)c1 ZINC000396147603 344620995 /nfs/dbraw/zinc/62/09/95/344620995.db2.gz FVJJWSYWADHDFD-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)c1c(C#N)c(C)ccc1OC ZINC000396147493 344621200 /nfs/dbraw/zinc/62/12/00/344621200.db2.gz FINKNYLETJIQFW-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(Cl)c(CC(=O)OC)c(C#N)c1 ZINC000396150109 344623290 /nfs/dbraw/zinc/62/32/90/344623290.db2.gz AJUSQWDCVHMRHS-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)Cc1cc(F)c(Cl)c(C#N)c1 ZINC000396150589 344623798 /nfs/dbraw/zinc/62/37/98/344623798.db2.gz QCDNCHSQMGMCKZ-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN COC(=O)Cc1cc(C)cc([N+](=O)[O-])c1Cl ZINC000396151824 344624226 /nfs/dbraw/zinc/62/42/26/344624226.db2.gz AXBMDYYYRVBUAI-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(C#N)c1C=O ZINC000396152214 344624602 /nfs/dbraw/zinc/62/46/02/344624602.db2.gz DBFAROLXMBUKQS-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1cc(C)c(C(=O)OC)c(C#N)c1 ZINC000396151904 344624646 /nfs/dbraw/zinc/62/46/46/344624646.db2.gz CFVSEIJWDRUZOZ-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(Cl)c1OC ZINC000396152080 344624672 /nfs/dbraw/zinc/62/46/72/344624672.db2.gz RBTLCHVUWOKELG-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCc1c(C)ccc(C#N)c1CC(=O)OC ZINC000396154151 344626197 /nfs/dbraw/zinc/62/61/97/344626197.db2.gz UAQMITANAACGQV-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1c(Cl)ccc(C#N)c1CC(=O)OC ZINC000396154431 344626449 /nfs/dbraw/zinc/62/64/49/344626449.db2.gz GBIQWTSYHOXRQX-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(OC)c1C ZINC000396154655 344626549 /nfs/dbraw/zinc/62/65/49/344626549.db2.gz PGMLIYMMLDSBPT-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1c(C#N)ccc(C(=O)OC)c1CC ZINC000396155410 344626869 /nfs/dbraw/zinc/62/68/69/344626869.db2.gz QHXADGFBCJBSMU-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(C)c1OC ZINC000396155402 344626928 /nfs/dbraw/zinc/62/69/28/344626928.db2.gz QHMOTKNAQXHHOJ-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)Cc1c(C#N)ccc(F)c1Cl ZINC000396155692 344627264 /nfs/dbraw/zinc/62/72/64/344627264.db2.gz WFCKRWIVDZWAML-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCc1ccc(CC(=O)OC)c(Cl)c1C#N ZINC000396155568 344627336 /nfs/dbraw/zinc/62/73/36/344627336.db2.gz HMEUOTCIYVMIOK-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCc1c(C#N)cc(F)cc1C(=O)OC ZINC000396156114 344627495 /nfs/dbraw/zinc/62/74/95/344627495.db2.gz IBNXCMPAPMKRCJ-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(F)c1CC ZINC000396156031 344627723 /nfs/dbraw/zinc/62/77/23/344627723.db2.gz HVMFVQGPQDJEDA-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1c(Cl)ccc(C#N)c1C=O ZINC000396156922 344627977 /nfs/dbraw/zinc/62/79/77/344627977.db2.gz ITWNDENRLLIPPY-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)Cc1c(F)c(F)cc(F)c1Cl ZINC000396157067 344628349 /nfs/dbraw/zinc/62/83/49/344628349.db2.gz JTZBQDNPXNDTAN-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN COC(=O)Cc1cc([N+](=O)[O-])cc(C)c1Cl ZINC000396157626 344628921 /nfs/dbraw/zinc/62/89/21/344628921.db2.gz JEHVJSSUTOVHNF-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)c1cc(C#N)c(OC)cc1C ZINC000396157833 344629066 /nfs/dbraw/zinc/62/90/66/344629066.db2.gz UOGAGILKKUCWBS-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1C ZINC000396158121 344629170 /nfs/dbraw/zinc/62/91/70/344629170.db2.gz JZLWYLGRJNZIAA-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1cc(C#N)c(Cl)cc1CC(=O)OC ZINC000396158248 344629416 /nfs/dbraw/zinc/62/94/16/344629416.db2.gz KHZBZSFMQIRJET-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1c(Cl)c(C#N)ccc1C=O ZINC000396169378 344630906 /nfs/dbraw/zinc/63/09/06/344630906.db2.gz YWDHSNLHHJEFMZ-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)Cc1csc2cc(O)cc(O)c12 ZINC000396174738 344631333 /nfs/dbraw/zinc/63/13/33/344631333.db2.gz IQXJEDPOTGYJCF-UHFFFAOYSA-N 0 0 238.264 2.028 10 0 BEAERN COC(=O)c1cc(C(F)F)cc(C#N)c1F ZINC000396160461 344633398 /nfs/dbraw/zinc/63/33/98/344633398.db2.gz MXBPGKQPWZHJPT-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN COC(=O)c1cc(C#N)c(F)c(C(F)F)c1 ZINC000396161179 344633853 /nfs/dbraw/zinc/63/38/53/344633853.db2.gz YRHXHORTKWDTNR-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1cc(CC(=O)OC)cc(C#N)c1Cl ZINC000396162587 344634646 /nfs/dbraw/zinc/63/46/46/344634646.db2.gz PFMHNAPOPGYGGW-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(C=O)c1Cl ZINC000396164963 344635435 /nfs/dbraw/zinc/63/54/35/344635435.db2.gz RWAJRCJIHVEAKP-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1cc(C#N)cc(CC(=O)OC)c1Cl ZINC000396164309 344635471 /nfs/dbraw/zinc/63/54/71/344635471.db2.gz RLVGJNJWFMARDO-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)Cc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC000396164387 344635572 /nfs/dbraw/zinc/63/55/72/344635572.db2.gz TUUDODNYUQIURB-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN COC(=O)Cc1c(F)cc(F)c(F)c1Cl ZINC000396166092 344635955 /nfs/dbraw/zinc/63/59/55/344635955.db2.gz UHCHDLDMCKPIEC-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN CCOC(=O)Cc1cc(C#N)cc(F)c1C ZINC000396165701 344636033 /nfs/dbraw/zinc/63/60/33/344636033.db2.gz WAFDNQBIQUXTCJ-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN Cc1cncc([C@H](O)C(F)(F)Cl)c1 ZINC000158691324 344724943 /nfs/dbraw/zinc/72/49/43/344724943.db2.gz BLINPOPXQDMVLZ-ZETCQYMHSA-N 0 0 207.607 2.255 10 0 BEAERN O=c1ccc2ccc(Br)c(F)c2[nH]1 ZINC000221314797 344728709 /nfs/dbraw/zinc/72/87/09/344728709.db2.gz LEAUKXDOJLXYJK-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN O=C1CCCc2nc(N3CCCC3)sc21 ZINC000054861443 344731272 /nfs/dbraw/zinc/73/12/72/344731272.db2.gz VTSRBOQMEXDQDQ-UHFFFAOYSA-N 0 0 222.313 2.262 10 0 BEAERN Cc1ccc(N(C)c2nsc(N)n2)cc1 ZINC000072416359 178701863 /nfs/dbraw/zinc/70/18/63/178701863.db2.gz ULOBLUOXVWYTQO-UHFFFAOYSA-N 0 0 220.301 2.197 10 0 BEAERN Cc1ccncc1[C@H]1NC[C@H](C)CS1 ZINC000135523726 344741894 /nfs/dbraw/zinc/74/18/94/344741894.db2.gz DMIJTWBGLWNXTE-KWQFWETISA-N 0 0 208.330 2.361 10 0 BEAERN C[C@H](Nc1cccc(Cl)n1)c1nc[nH]n1 ZINC000230430217 344683469 /nfs/dbraw/zinc/68/34/69/344683469.db2.gz LEUKSQWWYDECPY-LURJTMIESA-N 0 0 223.667 2.026 10 0 BEAERN COc1cccc(-c2nc(Cl)no2)c1 ZINC000158594604 344689679 /nfs/dbraw/zinc/68/96/79/344689679.db2.gz UASOCZUEYKYNFU-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN Cc1ccc(N)c(NC(=O)[C@H]2C[C@H]2C)c1C ZINC000036736928 178704354 /nfs/dbraw/zinc/70/43/54/178704354.db2.gz HCFJDNNRKLAZPH-SCZZXKLOSA-N 0 0 218.300 2.480 10 0 BEAERN COCOc1cnc(C)cc1Br ZINC000115126311 344703292 /nfs/dbraw/zinc/70/32/92/344703292.db2.gz YXXNGMMCDPRBML-UHFFFAOYSA-N 0 0 232.077 2.135 10 0 BEAERN NC(=S)c1ccccc1OC1CCC1 ZINC000050520521 344705582 /nfs/dbraw/zinc/70/55/82/344705582.db2.gz AZVULSNNOXYACK-UHFFFAOYSA-N 0 0 207.298 2.252 10 0 BEAERN Cc1cc(C=O)ccc1N1CCSCC1 ZINC000050544790 344708000 /nfs/dbraw/zinc/70/80/00/344708000.db2.gz NPNNEIANEISRBQ-UHFFFAOYSA-N 0 0 221.325 2.361 10 0 BEAERN COc1ccc(C(=O)C(F)F)c(C)c1 ZINC000158651142 344708843 /nfs/dbraw/zinc/70/88/43/344708843.db2.gz XXWFLBJNAQZXSW-UHFFFAOYSA-N 0 0 200.184 2.451 10 0 BEAERN Cc1nn([C@@H](C)C(N)=S)c(C)c1Cl ZINC000050586775 344715482 /nfs/dbraw/zinc/71/54/82/344715482.db2.gz ZVLPVGYPQLBCCZ-LURJTMIESA-N 0 0 217.725 2.000 10 0 BEAERN COCc1nc(C)cc(N[C@H](C)C(C)C)n1 ZINC000075040886 344763121 /nfs/dbraw/zinc/76/31/21/344763121.db2.gz ZXCWBIKQYZBIDO-SNVBAGLBSA-N 0 0 223.320 2.388 10 0 BEAERN CSc1c(N)nsc1N[C@@H]1C[C@@H]1C ZINC000235078177 344765189 /nfs/dbraw/zinc/76/51/89/344765189.db2.gz IOYWIZQZIVDPQR-CRCLSJGQSA-N 0 0 215.347 2.268 10 0 BEAERN CSc1c(N)nsc1N[C@@H]1C[C@H]1C ZINC000235078301 344765452 /nfs/dbraw/zinc/76/54/52/344765452.db2.gz IOYWIZQZIVDPQR-RFZPGFLSSA-N 0 0 215.347 2.268 10 0 BEAERN CS[C@H]1CC[C@@H](N2CN=NC2=S)C1 ZINC000235081566 344774545 /nfs/dbraw/zinc/77/45/45/344774545.db2.gz MSRKCFGTFUWJDV-RQJHMYQMSA-N 0 0 215.347 2.023 10 0 BEAERN CSCCNc1ncc(N)cc1Cl ZINC000235059280 344754602 /nfs/dbraw/zinc/75/46/02/344754602.db2.gz LFYFWVOZKHKSBS-UHFFFAOYSA-N 0 0 217.725 2.092 10 0 BEAERN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H]2C)on1 ZINC000075978350 344789334 /nfs/dbraw/zinc/78/93/34/344789334.db2.gz KYFOCISSJRUBMT-GDPRMGEGSA-N 0 0 249.314 2.238 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NC1CCC(C)CC1 ZINC000075982372 344790072 /nfs/dbraw/zinc/79/00/72/344790072.db2.gz BVFIWPUXGAJIFW-YIYTYNFBSA-N 0 0 210.321 2.273 10 0 BEAERN Cc1cnc(CCNc2nccc(C)n2)s1 ZINC000076688623 344805742 /nfs/dbraw/zinc/80/57/42/344805742.db2.gz RBDGKZUODULPFV-UHFFFAOYSA-N 0 0 234.328 2.205 10 0 BEAERN CSc1ccc(NC[C@H](C)C[C@H](C)O)nn1 ZINC000077228462 344819278 /nfs/dbraw/zinc/81/92/78/344819278.db2.gz LOKLQLPUUHGBGH-BDAKNGLRSA-N 0 0 241.360 2.017 10 0 BEAERN CS[C@@H]1CCC[C@H]1N1CN=NC1=S ZINC000235114926 344800814 /nfs/dbraw/zinc/80/08/14/344800814.db2.gz ZHYDAEOTSROASL-RNFRBKRXSA-N 0 0 215.347 2.023 10 0 BEAERN C[C@@]1(C(=O)[O-])CCCC[C@@H]1[NH+]1CCCC1 ZINC000135659506 344839424 /nfs/dbraw/zinc/83/94/24/344839424.db2.gz JIRBGWGRSXUUAF-CMPLNLGQSA-N 0 0 211.305 2.116 10 0 BEAERN CC(C)Nc1ccc(Cl)c(CO)n1 ZINC000166279622 344840110 /nfs/dbraw/zinc/84/01/10/344840110.db2.gz ARLQSLGLFGFACG-UHFFFAOYSA-N 0 0 200.669 2.048 10 0 BEAERN C[C@@H]1CCC(O)=C(C(=O)C(C)(F)F)C1 ZINC000300853865 537865417 /nfs/dbraw/zinc/86/54/17/537865417.db2.gz HUDGUOVIZKVYDM-RNFRBKRXSA-N 0 0 204.216 2.216 10 0 BEAERN COc1cccc(OC)c1[C@@H]1CCCC(=O)N1 ZINC000167074885 344829212 /nfs/dbraw/zinc/82/92/12/344829212.db2.gz IEHJNZJYBXSNRY-VIFPVBQESA-N 0 0 235.283 2.045 10 0 BEAERN C[C@H]1CCCN(c2nc(Cl)nc(Cl)n2)C1 ZINC000061053046 344833793 /nfs/dbraw/zinc/83/37/93/344833793.db2.gz AZGMKPSXCXPJSP-LURJTMIESA-N 0 0 247.129 2.415 10 0 BEAERN CC(C)Cn1cnc(Cl)c(Cl)c1=O ZINC000166308413 344852057 /nfs/dbraw/zinc/85/20/57/344852057.db2.gz ZWCUENMKGRZAOT-UHFFFAOYSA-N 0 0 221.087 2.206 10 0 BEAERN COc1cc(C)ccc1C1C(C)=NN(C)C1=O ZINC000675053444 537866263 /nfs/dbraw/zinc/86/62/63/537866263.db2.gz HJZRHPNZAGKMNN-UHFFFAOYSA-N 0 0 232.283 2.418 10 0 BEAERN C[C@@H]1CCCCC[C@@H]1NC(=O)C(F)F ZINC000235250685 344861334 /nfs/dbraw/zinc/86/13/34/344861334.db2.gz JUDUMQNLMHNOHL-SFYZADRCSA-N 0 0 205.248 2.337 10 0 BEAERN CNc1ccc(Cl)c(C[NH2+]C(C)C)n1 ZINC000166288642 344842879 /nfs/dbraw/zinc/84/28/79/344842879.db2.gz ACDXISWVENGFBD-UHFFFAOYSA-N 0 0 213.712 2.275 10 0 BEAERN Cc1nn(-c2ccccc2Cl)cc1N ZINC000135715282 344867333 /nfs/dbraw/zinc/86/73/33/344867333.db2.gz OZZJFAVBLIWZRG-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1ccc(NC[C@H]2CCCO2)c(N)c1 ZINC000036964569 178761389 /nfs/dbraw/zinc/76/13/89/178761389.db2.gz QJVGCOBTEKOPJR-SNVBAGLBSA-N 0 0 206.289 2.168 10 0 BEAERN C[C@@H]1OCC[C@@H]1Sc1ccc(C=O)cn1 ZINC000235344786 344888603 /nfs/dbraw/zinc/88/86/03/344888603.db2.gz WIIMPZDUHJUIDW-WPRPVWTQSA-N 0 0 223.297 2.164 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)c2cn(C)cn2)C1 ZINC000235343242 344890300 /nfs/dbraw/zinc/89/03/00/344890300.db2.gz DCTQZFWMRWAHHX-NXEZZACHSA-N 0 0 206.289 2.429 10 0 BEAERN Cc1nn(Cc2cccc(C)c2)cc1N ZINC000135794523 344893708 /nfs/dbraw/zinc/89/37/08/344893708.db2.gz SUPPNWPLMIQIFU-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1ccncc1[C@]1(O)CCS[C@H]1C ZINC000235357901 344894042 /nfs/dbraw/zinc/89/40/42/344894042.db2.gz RGTJCWGTARLZNG-ONGXEEELSA-N 0 0 209.314 2.103 10 0 BEAERN C[C@@H]1OCC[C@@H]1Sc1nsnc1Cl ZINC000235365228 344894531 /nfs/dbraw/zinc/89/45/31/344894531.db2.gz BUBLYAHDHVXULQ-WHFBIAKZSA-N 0 0 236.749 2.461 10 0 BEAERN CC(C)C[C@@H](C)Cn1ccc(=O)c(N)c1 ZINC000300963075 537871403 /nfs/dbraw/zinc/87/14/03/537871403.db2.gz RFJKEGRXDXUREW-SNVBAGLBSA-N 0 0 208.305 2.113 10 0 BEAERN CO[C@@H](C)CNc1cc(Cl)nnc1Cl ZINC000224337709 344897951 /nfs/dbraw/zinc/89/79/51/344897951.db2.gz FCJGAKCHJVQZDU-YFKPBYRVSA-N 0 0 236.102 2.230 10 0 BEAERN Cc1nn(Cc2ccccc2Cl)cc1N ZINC000135824660 344902492 /nfs/dbraw/zinc/90/24/92/344902492.db2.gz BPFNNVKXBSXEHD-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CC(C)C[C@H](C)Cn1cc(N)ccc1=O ZINC000301006883 537875651 /nfs/dbraw/zinc/87/56/51/537875651.db2.gz YAQOAXRICONADD-JTQLQIEISA-N 0 0 208.305 2.113 10 0 BEAERN C[C@H]1CC(=O)N(Cc2cccnc2Cl)C1 ZINC000062816686 347085707 /nfs/dbraw/zinc/08/57/07/347085707.db2.gz ORIHWWFFQJVJKP-QMMMGPOBSA-N 0 0 224.691 2.103 10 0 BEAERN C[C@H](O)C(=O)c1cscc1Br ZINC000235544680 344937149 /nfs/dbraw/zinc/93/71/49/344937149.db2.gz RXHIGXUFWOHCKG-BYPYZUCNSA-N 0 0 235.102 2.074 10 0 BEAERN COc1c(C)ccnc1Br ZINC000166517938 344918090 /nfs/dbraw/zinc/91/80/90/344918090.db2.gz ZUOCLAKJUDLXRU-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN COC(=O)N1CCc2sccc2[C@@H]1C ZINC000135863866 344919318 /nfs/dbraw/zinc/91/93/18/344919318.db2.gz NLISHWYKEHIZHS-ZETCQYMHSA-N 0 0 211.286 2.434 10 0 BEAERN CCN(c1nc(Cl)nc(Cl)n1)C1CC1 ZINC000061518211 344955492 /nfs/dbraw/zinc/95/54/92/344955492.db2.gz TZBVZISBQJBWHS-UHFFFAOYSA-N 0 0 233.102 2.167 10 0 BEAERN Cc1[nH]c([C@H]2SCCS[C@@H]2C)nc1O ZINC000235632709 344960295 /nfs/dbraw/zinc/96/02/95/344960295.db2.gz UOCUQSCAUYMFNC-RQJHMYQMSA-N 0 0 230.358 2.333 10 0 BEAERN C[C@H]1SCC[C@@]1(O)CC1CCOCC1 ZINC000235633046 344960881 /nfs/dbraw/zinc/96/08/81/344960881.db2.gz SLOLMNDTQMITFG-MWLCHTKSSA-N 0 0 216.346 2.060 10 0 BEAERN CCSc1nc(Cl)nc(N2CCCC2)n1 ZINC000061543378 344960911 /nfs/dbraw/zinc/96/09/11/344960911.db2.gz HEZHAXJBHQISKB-UHFFFAOYSA-N 0 0 244.751 2.237 10 0 BEAERN C[C@H]1SCCS[C@H]1c1nc(O)c[nH]1 ZINC000235643747 344965371 /nfs/dbraw/zinc/96/53/71/344965371.db2.gz IJVZOKIGSWYJDU-IYSWYEEDSA-N 0 0 216.331 2.025 10 0 BEAERN C[C@H]1SCC[C@H]1n1ncc(Cl)c1N ZINC000235662443 344977181 /nfs/dbraw/zinc/97/71/81/344977181.db2.gz JAZKHVDAABHCHG-IYSWYEEDSA-N 0 0 217.725 2.185 10 0 BEAERN COC(=O)c1cc(F)c(C)c(F)c1F ZINC000044199619 344946589 /nfs/dbraw/zinc/94/65/89/344946589.db2.gz IPOXJEMOYGPBGI-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN CNC(=S)N(C)[C@H]1CCC[C@H](C)C1 ZINC000135955587 344947669 /nfs/dbraw/zinc/94/76/69/344947669.db2.gz APNSIFNKLFXEAO-IUCAKERBSA-N 0 0 200.351 2.001 10 0 BEAERN C[C@H]1C[C@]1(O)c1ccoc1Br ZINC000235590202 344948381 /nfs/dbraw/zinc/94/83/81/344948381.db2.gz JETPMBSHAFZYHI-YLWLKBPMSA-N 0 0 217.062 2.270 10 0 BEAERN CN(CC1CCC1)c1cc(Cl)ncn1 ZINC000061486844 344949956 /nfs/dbraw/zinc/94/99/56/344949956.db2.gz SJRCZXIWNXAJRL-UHFFFAOYSA-N 0 0 211.696 2.366 10 0 BEAERN CN(CC1CCC1)c1nsnc1Cl ZINC000061486833 344950323 /nfs/dbraw/zinc/95/03/23/344950323.db2.gz ZITLFQCIKNPWAT-UHFFFAOYSA-N 0 0 217.725 2.428 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(C2N=NC(=S)S2)C1 ZINC000044241680 344991997 /nfs/dbraw/zinc/99/19/97/344991997.db2.gz YNHJJYQEDVNORU-RNFRBKRXSA-N 0 0 229.374 2.309 10 0 BEAERN CCOC(=O)c1ccc(O)cc1Br ZINC000238264780 345004077 /nfs/dbraw/zinc/00/40/77/345004077.db2.gz AZQLENLHPHLGMZ-UHFFFAOYSA-N 0 0 245.072 2.331 10 0 BEAERN CC[C@@H](O)C(=O)c1c[nH]c2ccccc12 ZINC000238266478 345004618 /nfs/dbraw/zinc/00/46/18/345004618.db2.gz OHLMPIJNSZXYMW-LLVKDONJSA-N 0 0 203.241 2.122 10 0 BEAERN COc1c(C)nccc1I ZINC000238418145 345045706 /nfs/dbraw/zinc/04/57/06/345045706.db2.gz GRXJRWLTZRYALV-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN CC(C)c1nnc(NCC(F)F)s1 ZINC000154109120 345013559 /nfs/dbraw/zinc/01/35/59/345013559.db2.gz AJPFDORBPUXTMZ-UHFFFAOYSA-N 0 0 207.249 2.339 10 0 BEAERN COC(=O)[C@@H](N)CC[C@H](C)CC(C)(C)C ZINC000044327097 345022698 /nfs/dbraw/zinc/02/26/98/345022698.db2.gz RFHKATAMDPUENG-UWVGGRQHSA-N 0 0 215.337 2.339 10 0 BEAERN COc1ccc(Br)cc1[C@@H](C)NO ZINC000238336058 345025023 /nfs/dbraw/zinc/02/50/23/345025023.db2.gz XCKQEPYLRLOUBI-ZCFIWIBFSA-N 0 0 246.104 2.498 10 0 BEAERN COc1cnc(OC(F)(F)F)cc1F ZINC000238342423 345027749 /nfs/dbraw/zinc/02/77/49/345027749.db2.gz RAYFMNDBDJCIOQ-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cnc(OC(F)(F)F)c(C)c1 ZINC000238341770 345027895 /nfs/dbraw/zinc/02/78/95/345027895.db2.gz AWTLAXVYZCKSML-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN CCOC(=O)c1noc(-c2ccc(C)s2)n1 ZINC000071047676 537885809 /nfs/dbraw/zinc/88/58/09/537885809.db2.gz FHOXWFRHDCAPPK-UHFFFAOYSA-N 0 0 238.268 2.283 10 0 BEAERN COc1nc(C)ccc1OC(F)(F)F ZINC000238372359 345033611 /nfs/dbraw/zinc/03/36/11/345033611.db2.gz MZTIQRSUMAJDQQ-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1ccc(OC(F)(F)F)c(N)c1 ZINC000238384578 345037572 /nfs/dbraw/zinc/03/75/72/345037572.db2.gz DWGPKJXJLDKMSX-UHFFFAOYSA-N 0 0 207.151 2.176 10 0 BEAERN CSc1nccc(-c2c[nH]nc2Cl)n1 ZINC000238392547 345038494 /nfs/dbraw/zinc/03/84/94/345038494.db2.gz NOOKMCUJOUQQSI-UHFFFAOYSA-N 0 0 226.692 2.242 10 0 BEAERN COC(=O)Cc1cccc2sc(C)nc21 ZINC000238396034 345038867 /nfs/dbraw/zinc/03/88/67/345038867.db2.gz UUILZHPTBNVAJZ-UHFFFAOYSA-N 0 0 221.281 2.320 10 0 BEAERN COc1ccc(CO)c(F)c1SC ZINC000238394474 345039041 /nfs/dbraw/zinc/03/90/41/345039041.db2.gz RLTAQMIBQHLNRR-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1cc(OC(F)(F)F)cnc1F ZINC000238402165 345041353 /nfs/dbraw/zinc/04/13/53/345041353.db2.gz KGYIBLYTZKXAHV-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cc(OC(F)(F)F)cc(C)n1 ZINC000238401607 345041539 /nfs/dbraw/zinc/04/15/39/345041539.db2.gz DCNRUIWJJUFRFA-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN Cc1cnc(I)cc1F ZINC000238528417 345068435 /nfs/dbraw/zinc/06/84/35/345068435.db2.gz BQPQOYHLJITJPN-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN O=Cc1cc(Cl)ncc1OC(F)(F)F ZINC000238541899 345073579 /nfs/dbraw/zinc/07/35/79/345073579.db2.gz BYWDEIAXWYSPDM-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN FC(F)(F)Oc1cncc(Br)n1 ZINC000238542868 345073645 /nfs/dbraw/zinc/07/36/45/345073645.db2.gz MRKFXADHXBWMIJ-UHFFFAOYSA-N 0 0 242.982 2.138 10 0 BEAERN [NH3+]Cc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238570002 345079706 /nfs/dbraw/zinc/07/97/06/345079706.db2.gz BBIDDAFOFHOCGL-UHFFFAOYSA-N 0 0 226.585 2.092 10 0 BEAERN [NH3+]Cc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238566512 345079896 /nfs/dbraw/zinc/07/98/96/345079896.db2.gz QPPRIKMQNFRYIU-UHFFFAOYSA-N 0 0 226.585 2.092 10 0 BEAERN FC(F)(F)c1ccn2c(c1)n[nH]c2=S ZINC000238595300 345086582 /nfs/dbraw/zinc/08/65/82/345086582.db2.gz YYYFTJUOOKZFKU-UHFFFAOYSA-N 0 0 219.191 2.037 10 0 BEAERN c1ccc([C@H]2C[C@@H]2Nc2cnccn2)cc1 ZINC000044416581 345059602 /nfs/dbraw/zinc/05/96/02/345059602.db2.gz RNOSOYOBMFQDEG-NEPJUHHUSA-N 0 0 211.268 2.445 10 0 BEAERN Cc1cc(OC(F)(F)F)cc(C=O)n1 ZINC000238494108 345060197 /nfs/dbraw/zinc/06/01/97/345060197.db2.gz COFZOKTUTLUKTG-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1nccc(C=O)c1OC(F)(F)F ZINC000238489019 345061556 /nfs/dbraw/zinc/06/15/56/345061556.db2.gz AZCSTARJEPAVES-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Nc1cc(OC(F)(F)F)ncc1Cl ZINC000238705756 345116120 /nfs/dbraw/zinc/11/61/20/345116120.db2.gz LLHGLZJPKKKVAV-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Clc1cc(N2C[C@H]3CCC[C@@H]3C2)ncn1 ZINC000126401628 345118018 /nfs/dbraw/zinc/11/80/18/345118018.db2.gz BJOHMLBWHXRDQP-RKDXNWHRSA-N 0 0 223.707 2.366 10 0 BEAERN Oc1ccc(OC(F)(F)F)nc1Cl ZINC000238721255 345118493 /nfs/dbraw/zinc/11/84/93/345118493.db2.gz JUKRGEHIWJAOGE-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Oc1c(Cl)ccnc1OC(F)(F)F ZINC000238720550 345118735 /nfs/dbraw/zinc/11/87/35/345118735.db2.gz UGTTWSLCKNHTHF-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Nc1nc2cc(OC(F)F)ccc2s1 ZINC000238608983 345091586 /nfs/dbraw/zinc/09/15/86/345091586.db2.gz JDGGCJNHXGHIKY-UHFFFAOYSA-N 0 0 216.212 2.480 10 0 BEAERN CCC1CCC(NC(=O)c2cnn(C)c2C)CC1 ZINC000123416082 168519816 /nfs/dbraw/zinc/51/98/16/168519816.db2.gz LXPZWINZCQHDFO-UHFFFAOYSA-N 0 0 249.358 2.427 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)[C@H](C)COC ZINC000155762904 345103601 /nfs/dbraw/zinc/10/36/01/345103601.db2.gz JDWBIPXJNOLUDN-VXGBXAGGSA-N 0 0 227.348 2.450 10 0 BEAERN Nc1nn(CCC(F)(F)Cl)cc1Cl ZINC000401993694 537889219 /nfs/dbraw/zinc/88/92/19/537889219.db2.gz AHEDYWJEYSCJMA-UHFFFAOYSA-N 0 0 230.045 2.171 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000156531129 345176541 /nfs/dbraw/zinc/17/65/41/345176541.db2.gz QAIWMTKPUSUHTG-BXKDBHETSA-N 0 0 235.283 2.207 10 0 BEAERN O[C@@H]1CCCc2c1ccn2CC(F)F ZINC000148042771 345201195 /nfs/dbraw/zinc/20/11/95/345201195.db2.gz UNKQQHBYYUYVLP-SECBINFHSA-N 0 0 201.216 2.123 10 0 BEAERN O[C@@H](c1cnsn1)c1cccc(Cl)c1 ZINC000158780585 345221417 /nfs/dbraw/zinc/22/14/17/345221417.db2.gz ZRSGLISTCFKBAG-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN Nc1nn(C[C@H]2CCCS2)cc1Cl ZINC000715884582 537894054 /nfs/dbraw/zinc/89/40/54/537894054.db2.gz VRIQYIOUAOBLQI-ZCFIWIBFSA-N 0 0 217.725 2.014 10 0 BEAERN O=c1ccc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000148115397 345257926 /nfs/dbraw/zinc/25/79/26/345257926.db2.gz VNGLAAFMWKKVAV-UHFFFAOYSA-N 0 0 229.157 2.427 10 0 BEAERN FC(F)COc1cc(Cl)nnc1Cl ZINC000130621087 345280768 /nfs/dbraw/zinc/28/07/68/345280768.db2.gz WQLHCFCJLVFLIP-UHFFFAOYSA-N 0 0 229.013 2.427 10 0 BEAERN c1csc(-c2cn3ccccc3n2)n1 ZINC000148168257 345287243 /nfs/dbraw/zinc/28/72/43/345287243.db2.gz LXBYWPHBHGNVMY-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN Nc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000139941012 345294407 /nfs/dbraw/zinc/29/44/07/345294407.db2.gz FQKOKQKXLBWJKK-UHFFFAOYSA-N 0 0 244.338 2.385 10 0 BEAERN O=C(NC1CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000158258515 345312399 /nfs/dbraw/zinc/31/23/99/345312399.db2.gz JALKDWGNJSSSCF-NWDGAFQWSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1cc(N)cc(C(=O)c2ccco2)c1 ZINC000132018867 345313209 /nfs/dbraw/zinc/31/32/09/345313209.db2.gz ZCZISUHMXRDEKK-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN Cc1ccc([C@@H](C)n2ncc(C)c2N)o1 ZINC000034963971 178852392 /nfs/dbraw/zinc/85/23/92/178852392.db2.gz CDJJNJRBQJVRAX-SECBINFHSA-N 0 0 205.261 2.284 10 0 BEAERN CCC1CCN(C(=O)c2cccc(NC)n2)CC1 ZINC000051072330 168526682 /nfs/dbraw/zinc/52/66/82/168526682.db2.gz IJEGGMUKZCQXSP-UHFFFAOYSA-N 0 0 247.342 2.386 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2[C@H](C)CCC[C@@H]2C)O1 ZINC000158730775 345371535 /nfs/dbraw/zinc/37/15/35/345371535.db2.gz MTFMNPMGZKBWIG-KXNHARMFSA-N 0 0 225.332 2.343 10 0 BEAERN C[C@@H](NC(=O)c1cc(N(C)C)ccn1)C(C)(C)C ZINC000134244983 345405292 /nfs/dbraw/zinc/40/52/92/345405292.db2.gz WAHFEFOXLLJCTR-SNVBAGLBSA-N 0 0 249.358 2.312 10 0 BEAERN C[C@H]1OCC[C@]1(O)c1occc1Br ZINC000134437065 345412784 /nfs/dbraw/zinc/41/27/84/345412784.db2.gz HVAKEBGVXNIRPG-HZGVNTEJSA-N 0 0 247.088 2.039 10 0 BEAERN CCc1c[nH]c(=S)n1[C@@H]1CCO[C@@H]1C ZINC000134582097 345415813 /nfs/dbraw/zinc/41/58/13/345415813.db2.gz YTVFWGUNGZLKPN-VXNVDRBHSA-N 0 0 212.318 2.084 10 0 BEAERN COCc1nc2c(c(Cl)n1)CSC2 ZINC000134650178 345418465 /nfs/dbraw/zinc/41/84/65/345418465.db2.gz ZQNTVAICOMHMPX-UHFFFAOYSA-N 0 0 216.693 2.023 10 0 BEAERN COc1c(Cl)ncnc1NC1CCC1 ZINC000134755311 345421263 /nfs/dbraw/zinc/42/12/63/345421263.db2.gz RJRVOSOTELWNBT-UHFFFAOYSA-N 0 0 213.668 2.103 10 0 BEAERN CCOC(=O)c1cccc2ncc(Cl)n21 ZINC000260805962 345454608 /nfs/dbraw/zinc/45/46/08/345454608.db2.gz SJQSAKKBXUMIJM-UHFFFAOYSA-N 0 0 224.647 2.164 10 0 BEAERN Cc1nc(-n2ccnc2)ccc1Br ZINC000228799470 345398545 /nfs/dbraw/zinc/39/85/45/345398545.db2.gz WQABTXDWLLLNAG-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CCCC12CC2 ZINC000626120021 345504372 /nfs/dbraw/zinc/50/43/72/345504372.db2.gz QIGSLKILMZBUDT-QWRGUYRKSA-N 0 0 239.359 2.090 10 0 BEAERN Cc1nc2[nH]ccc2c(N[C@H]2C[C@H]2C)n1 ZINC000080979042 345457449 /nfs/dbraw/zinc/45/74/49/345457449.db2.gz PCRXIIOXNSIBPN-MUWHJKNJSA-N 0 0 202.261 2.087 10 0 BEAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1c1ccccc1Cl ZINC000250615502 345479397 /nfs/dbraw/zinc/47/93/97/345479397.db2.gz NUOMWGOJVGKZPL-KCJUWKMLSA-N 0 0 239.702 2.417 10 0 BEAERN COC(=O)c1cccc(NC(=O)C2CC(C)C2)c1 ZINC000084737354 345520957 /nfs/dbraw/zinc/52/09/57/345520957.db2.gz KJFOFURONINDIB-UHFFFAOYSA-N 0 0 247.294 2.458 10 0 BEAERN Cc1ccc([C@@](C)(C(=O)[O-])[NH+](C)C)cc1C ZINC000037358092 178879793 /nfs/dbraw/zinc/87/97/93/178879793.db2.gz LUBMPTUQJIRNQB-ZDUSSCGKSA-N 0 0 221.300 2.165 10 0 BEAERN COc1ccc2c(c1)[C@@H](O)c1cccnc1CO2 ZINC000167315951 345578009 /nfs/dbraw/zinc/57/80/09/345578009.db2.gz LEKXLSBVHUDJAX-AWEZNQCLSA-N 0 0 243.262 2.064 10 0 BEAERN CCCc1nnc(N[C@@H](C)[C@H]2CCCO2)s1 ZINC000091427173 345592472 /nfs/dbraw/zinc/59/24/72/345592472.db2.gz PKDDNMMIDCPAEO-DTWKUNHWSA-N 0 0 241.360 2.470 10 0 BEAERN O[C@@H]1CCCC[C@H]1n1nccc1Br ZINC000137313923 345604919 /nfs/dbraw/zinc/60/49/19/345604919.db2.gz NCHMPDNXOXRSMX-HTQZYQBOSA-N 0 0 245.120 2.122 10 0 BEAERN CCCC(=O)Cc1nc(-c2ccncc2)no1 ZINC000104187490 168532198 /nfs/dbraw/zinc/53/21/98/168532198.db2.gz XJKMWQYVJZDWHT-UHFFFAOYSA-N 0 0 231.255 2.043 10 0 BEAERN C[C@](C[NH3+])(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085114010 537905922 /nfs/dbraw/zinc/90/59/22/537905922.db2.gz PJRWPVIBQFGSFZ-LLVKDONJSA-N 0 0 227.691 2.031 10 0 BEAERN Cc1cn(CCC(C)(C)C2CC2)nc1N ZINC000406034835 537906437 /nfs/dbraw/zinc/90/64/37/537906437.db2.gz PISOLIRHSNHKPS-UHFFFAOYSA-N 0 0 207.321 2.430 10 0 BEAERN C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000253605744 345692285 /nfs/dbraw/zinc/69/22/85/345692285.db2.gz BHBUOQLEZBJNCL-ONGXEEELSA-N 0 0 222.288 2.015 10 0 BEAERN O[C@H]1CCc2ccccc2[C@@]1(O)c1ccccc1 ZINC000032233398 345739601 /nfs/dbraw/zinc/73/96/01/345739601.db2.gz TXNJZFSOMICEJL-HOTGVXAUSA-N 0 0 240.302 2.230 10 0 BEAERN C[C@@H](O)[C@H](O)c1c(Cl)cccc1Cl ZINC000113399223 345753689 /nfs/dbraw/zinc/75/36/89/345753689.db2.gz ZJHXADRDRNHFRO-ANLVUFKYSA-N 0 0 221.083 2.408 10 0 BEAERN N#CC(C#N)=NNc1cccc2c1CCCC2 ZINC000137912781 345705848 /nfs/dbraw/zinc/70/58/48/345705848.db2.gz RCIBRXQVUIJZJV-UHFFFAOYSA-N 0 0 224.267 2.380 10 0 BEAERN CCOC(=O)[C@H](C)c1nc(CC)cs1 ZINC000145416846 345707457 /nfs/dbraw/zinc/70/74/57/345707457.db2.gz IEFVAXBGYQYYJP-SSDOTTSWSA-N 0 0 213.302 2.372 10 0 BEAERN Cc1cc(NC(C)(C)CC(=O)[O-])cc[nH+]1 ZINC000229524688 345707552 /nfs/dbraw/zinc/70/75/52/345707552.db2.gz OOHDBMSCDUQNLH-UHFFFAOYSA-N 0 0 208.261 2.055 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCCc2ccsc21 ZINC000146190844 345757420 /nfs/dbraw/zinc/75/74/20/345757420.db2.gz UPENOLIONVAAPV-SECBINFHSA-N 0 0 239.340 2.277 10 0 BEAERN OCC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000205867028 345757530 /nfs/dbraw/zinc/75/75/30/345757530.db2.gz HODVJSXESFNCRH-SECBINFHSA-N 0 0 220.190 2.121 10 0 BEAERN CCOC(=O)Cn1ccc2c1cc(F)cc2F ZINC000206284752 345757872 /nfs/dbraw/zinc/75/78/72/345757872.db2.gz KIUWXNQXXQQJBT-UHFFFAOYSA-N 0 0 239.221 2.483 10 0 BEAERN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000205602537 345733754 /nfs/dbraw/zinc/73/37/54/345733754.db2.gz BTHUPHPPFSIVBM-IHRRRGAJSA-N 0 0 245.322 2.372 10 0 BEAERN CN(C)c1nc(C2CCCCC2)nc(N(C)C)n1 ZINC000033754968 345809510 /nfs/dbraw/zinc/80/95/10/345809510.db2.gz KNQCWLOWGVWBOZ-UHFFFAOYSA-N 0 0 249.362 2.051 10 0 BEAERN COC(=O)c1cc(C=O)c2ccccc2c1 ZINC000034061961 345813325 /nfs/dbraw/zinc/81/33/25/345813325.db2.gz IOKMCODHSKKSIO-UHFFFAOYSA-N 0 0 214.220 2.439 10 0 BEAERN COC(=O)[C@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000050974906 345768107 /nfs/dbraw/zinc/76/81/07/345768107.db2.gz YCYCFFASFQXDDV-SKDRFNHKSA-N 0 0 214.305 2.127 10 0 BEAERN CCC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000138883819 345789032 /nfs/dbraw/zinc/78/90/32/345789032.db2.gz IWIFIKGAZIYVNN-LLVKDONJSA-N 0 0 204.225 2.267 10 0 BEAERN Cc1c(N)ccc(F)c1Br ZINC000215194789 345842712 /nfs/dbraw/zinc/84/27/12/345842712.db2.gz TZUSNHJXCNDHHW-UHFFFAOYSA-N 0 0 204.042 2.479 10 0 BEAERN Nc1ccc2c(c1)COc1ccccc1C2=O ZINC000035086234 345849068 /nfs/dbraw/zinc/84/90/68/345849068.db2.gz YXHQGMGAMDUNAB-UHFFFAOYSA-N 0 0 225.247 2.392 10 0 BEAERN OC[C@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000140065507 345851312 /nfs/dbraw/zinc/85/13/12/345851312.db2.gz VYKGOZJRHLAPRU-AWEZNQCLSA-N 0 0 248.322 2.234 10 0 BEAERN O=C1CCN(CCCOCc2ccccc2)CC1 ZINC000140120379 345852535 /nfs/dbraw/zinc/85/25/35/345852535.db2.gz NFDWIVQUYGFONI-UHFFFAOYSA-N 0 0 247.338 2.258 10 0 BEAERN CCOC(=O)[C@]1(C)CC[C@@H](C)[C@@]1(O)CC ZINC000140367042 345853910 /nfs/dbraw/zinc/85/39/10/345853910.db2.gz JLOMOUWAWUOVKO-USWWRNFRSA-N 0 0 214.305 2.127 10 0 BEAERN CCOC(=O)[C@H]1C[C@H]1c1cccc(O)c1 ZINC000140429678 345855074 /nfs/dbraw/zinc/85/50/74/345855074.db2.gz YANMSKHDZCCRIX-QWRGUYRKSA-N 0 0 206.241 2.059 10 0 BEAERN CC(=S)OCCSC1CSC1 ZINC000140552364 345855802 /nfs/dbraw/zinc/85/58/02/345855802.db2.gz LYYQSSWTYOLGEF-UHFFFAOYSA-N 0 0 208.373 2.199 10 0 BEAERN CCC(=O)c1cnc(SC)nc1Cl ZINC000220508623 345856645 /nfs/dbraw/zinc/85/66/45/345856645.db2.gz XYVWVNPBYAGHSN-UHFFFAOYSA-N 0 0 216.693 2.445 10 0 BEAERN CC(=O)C1=C(O)CC[C@H](c2ccccn2)C1 ZINC000140857472 345858435 /nfs/dbraw/zinc/85/84/35/345858435.db2.gz YTIBMSSCVFJZRV-WDEREUQCSA-N 0 0 217.268 2.123 10 0 BEAERN CCOC(=O)c1cc2ccc(Cl)n2cn1 ZINC000140863669 345858632 /nfs/dbraw/zinc/85/86/32/345858632.db2.gz CUKZVIWCMOSBDK-UHFFFAOYSA-N 0 0 224.647 2.164 10 0 BEAERN C[C@H](O)c1ccc2c(c1)OC(F)(F)O2 ZINC000219658268 345859132 /nfs/dbraw/zinc/85/91/32/345859132.db2.gz CLAMFCKMBBTQPB-YFKPBYRVSA-N 0 0 202.156 2.061 10 0 BEAERN COc1ccc(C2C(=O)CCCC2=O)cc1 ZINC000141146492 345859427 /nfs/dbraw/zinc/85/94/27/345859427.db2.gz ITLOQNLTRVTWEG-UHFFFAOYSA-N 0 0 218.252 2.101 10 0 BEAERN CC[C@H](C)[C@H]1COc2ccsc2C(=N)N1 ZINC000142212817 345862246 /nfs/dbraw/zinc/86/22/46/345862246.db2.gz MSZSDSLORSLDHX-JGVFFNPUSA-N 0 0 224.329 2.261 10 0 BEAERN CC(=O)N1CCOCC12C1CC3CC(C1)CC2C3 ZINC000034397968 345824585 /nfs/dbraw/zinc/82/45/85/345824585.db2.gz KVPANQKLUFMVHF-UHFFFAOYSA-N 0 0 249.354 2.060 10 0 BEAERN O=C1CCc2cc(Cn3ccnc3)ccc21 ZINC000034383853 345825058 /nfs/dbraw/zinc/82/50/58/345825058.db2.gz OOZNVXOYRBTUDO-UHFFFAOYSA-N 0 0 212.252 2.060 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Cc1ccccc1F ZINC000034417215 345828478 /nfs/dbraw/zinc/82/84/78/345828478.db2.gz MRXLZVUMXZNWMG-VIFPVBQESA-N 0 0 238.258 2.137 10 0 BEAERN Oc1ccc(O)c(CC[C@H](O)c2ccccn2)c1 ZINC000034543151 345831556 /nfs/dbraw/zinc/83/15/56/345831556.db2.gz SZRZYTXQRGHZMB-AWEZNQCLSA-N 0 0 245.278 2.159 10 0 BEAERN Oc1ccc(O)c(CC[C@@H](O)c2ccccn2)c1 ZINC000034543150 345831613 /nfs/dbraw/zinc/83/16/13/345831613.db2.gz SZRZYTXQRGHZMB-CQSZACIVSA-N 0 0 245.278 2.159 10 0 BEAERN CCOP(=O)(OCC)[C@H](C)C(C)=O ZINC000034456067 345833999 /nfs/dbraw/zinc/83/39/99/345833999.db2.gz KMJCWEYBVMRBAX-MRVPVSSYSA-N 0 0 208.194 2.230 10 0 BEAERN CC[C@H](O)c1cccc([C@@H](C)C(=O)OC)c1 ZINC000034583806 345834229 /nfs/dbraw/zinc/83/42/29/345834229.db2.gz CJIRFIYALFHUJR-SKDRFNHKSA-N 0 0 222.284 2.407 10 0 BEAERN O=c1oc2ccc(O)cc2c2c1CCCC2 ZINC000034485087 345835293 /nfs/dbraw/zinc/83/52/93/345835293.db2.gz WNVYSDMWIMUXDD-UHFFFAOYSA-N 0 0 216.236 2.377 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H]1C(=O)CC1CCCC1 ZINC000214892127 345837140 /nfs/dbraw/zinc/83/71/40/345837140.db2.gz DZFYASVMGRKCEE-GHMZBOCLSA-N 0 0 224.300 2.335 10 0 BEAERN C[C@@H]1C=CN(Cc2ccccc2)C=C1C(N)=O ZINC000137118221 345837281 /nfs/dbraw/zinc/83/72/81/345837281.db2.gz QQBNXTVIFDZWEU-LLVKDONJSA-N 0 0 228.295 2.021 10 0 BEAERN Cc1cc(C#N)nc(C)c1Br ZINC000143474752 345866429 /nfs/dbraw/zinc/86/64/29/345866429.db2.gz JFMJWMADQOXGGY-UHFFFAOYSA-N 0 0 211.062 2.333 10 0 BEAERN Cc1ccc(-n2cc(C=O)nn2)cc1Cl ZINC000085272216 345929274 /nfs/dbraw/zinc/92/92/74/345929274.db2.gz ISJSFOWNSXBVGC-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC000143430284 345900688 /nfs/dbraw/zinc/90/06/88/345900688.db2.gz NCOUMPRRXNKGBV-UHFFFAOYSA-N 0 0 210.302 2.162 10 0 BEAERN NC(=O)C12CC(c3ccccc31)c1ccccc12 ZINC000144149956 345917916 /nfs/dbraw/zinc/91/79/16/345917916.db2.gz IYUARCMLAXIYFP-UHFFFAOYSA-N 0 0 235.286 2.307 10 0 BEAERN OCc1nc(-c2ccccc2F)cs1 ZINC000061802820 345954113 /nfs/dbraw/zinc/95/41/13/345954113.db2.gz FANDNTLPVHNISE-UHFFFAOYSA-N 0 0 209.245 2.442 10 0 BEAERN CC[C@H]1CC[C@H](C(=O)N2CC=CCN2)CC1 ZINC000628221842 345959166 /nfs/dbraw/zinc/95/91/66/345959166.db2.gz WSXAVWQCLCGESW-HAQNSBGRSA-N 0 0 222.332 2.106 10 0 BEAERN Cc1cc(C)c(C(=O)N2CC=CCN2)c(C)c1 ZINC000628222245 345960714 /nfs/dbraw/zinc/96/07/14/345960714.db2.gz KQRRXSKEBHJLPL-UHFFFAOYSA-N 0 0 230.311 2.128 10 0 BEAERN Cc1cc(Cl)cc(C(=O)N2CC=CCN2)c1 ZINC000628222745 345962184 /nfs/dbraw/zinc/96/21/84/345962184.db2.gz CYYYAPJFIKYFTE-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN Cc1sccc1-c1cc(Cl)n[nH]c1=O ZINC000235824031 345937372 /nfs/dbraw/zinc/93/73/72/345937372.db2.gz IREWAZMIYOELQJ-UHFFFAOYSA-N 0 0 226.688 2.460 10 0 BEAERN CCCN(CCC)c1cc(NC)ncn1 ZINC000087806266 345942161 /nfs/dbraw/zinc/94/21/61/345942161.db2.gz GIQPUNORGHCNLF-UHFFFAOYSA-N 0 0 208.309 2.145 10 0 BEAERN Cc1nnsc1[C@H](O)C1=CCCCC1 ZINC000235832976 345944129 /nfs/dbraw/zinc/94/41/29/345944129.db2.gz STPBBTOODWJCID-SECBINFHSA-N 0 0 210.302 2.380 10 0 BEAERN Cc1occc1Sc1ccnc(N)n1 ZINC000235865661 345950648 /nfs/dbraw/zinc/95/06/48/345950648.db2.gz UZMBJTIYAWEGJQ-UHFFFAOYSA-N 0 0 207.258 2.111 10 0 BEAERN Cc1ccc(-c2nc(=O)[nH]cc2C)s1 ZINC000235878855 345951327 /nfs/dbraw/zinc/95/13/27/345951327.db2.gz ODEOUINYVRAIJG-UHFFFAOYSA-N 0 0 206.270 2.115 10 0 BEAERN Cc1c(Cl)cccc1C(=O)N1CC=CCN1 ZINC000628221149 345952884 /nfs/dbraw/zinc/95/28/84/345952884.db2.gz XDQIQJMOITVGSL-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN CC1(C)C[C@@H]1Cn1cc(Br)c(N)n1 ZINC000722673316 537929671 /nfs/dbraw/zinc/92/96/71/537929671.db2.gz PEEHIENEWZBKJV-ZCFIWIBFSA-N 0 0 244.136 2.274 10 0 BEAERN Cc1ccc(C(=O)N2CC=CCN2)cc1Cl ZINC000628224632 345966378 /nfs/dbraw/zinc/96/63/78/345966378.db2.gz VEGCZTATHXLSMF-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN O=Cc1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000090295217 345966923 /nfs/dbraw/zinc/96/69/23/345966923.db2.gz QNCHYPUPFMGIAJ-UHFFFAOYSA-N 0 0 241.172 2.099 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300574619 346035904 /nfs/dbraw/zinc/03/59/04/346035904.db2.gz WJZZIRAXNUCFAN-ZIQFBCGOSA-N 0 0 207.317 2.337 10 0 BEAERN CCCN1C(=O)CC2(CCCCC2)CC1=O ZINC000095857044 346076256 /nfs/dbraw/zinc/07/62/56/346076256.db2.gz CSWPEHDAXBBWDM-UHFFFAOYSA-N 0 0 223.316 2.496 10 0 BEAERN COC(=O)c1nc2[nH]ccc2c(Cl)c1F ZINC000095919790 346077594 /nfs/dbraw/zinc/07/75/94/346077594.db2.gz ADWTWUJPRYXZIH-UHFFFAOYSA-N 0 0 228.610 2.142 10 0 BEAERN Nc1cnc(C2CC2)c(Br)c1 ZINC000096135072 346101317 /nfs/dbraw/zinc/10/13/17/346101317.db2.gz KETNMRPDYGLFLI-UHFFFAOYSA-N 0 0 213.078 2.304 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)C[C@H](C)CC[C@H]1C ZINC000669371848 537948481 /nfs/dbraw/zinc/94/84/81/537948481.db2.gz BSMCAZTXNOAYCM-UZWSLXQKSA-N 0 0 226.316 2.391 10 0 BEAERN CN1c2ncc(Cl)cc2NCC1(C)C ZINC000149601097 346130563 /nfs/dbraw/zinc/13/05/63/346130563.db2.gz TWZWJXAGJVQKNB-UHFFFAOYSA-N 0 0 211.696 2.375 10 0 BEAERN CC[C@@H](C)OCn1cc(Br)c(N)n1 ZINC000308164563 537949441 /nfs/dbraw/zinc/94/94/41/537949441.db2.gz YTYVSLGVMPQKKB-ZCFIWIBFSA-N 0 0 248.124 2.000 10 0 BEAERN CNS(=O)(=O)[C@H](C)c1ccc(Cl)s1 ZINC000669375289 537954602 /nfs/dbraw/zinc/95/46/02/537954602.db2.gz HNGRMVKQJMNEOP-RXMQYKEDSA-N 0 0 239.749 2.012 10 0 BEAERN CSc1ccc(C)c(C(=O)N2CC=CCN2)c1 ZINC000628226612 346173392 /nfs/dbraw/zinc/17/33/92/346173392.db2.gz WDIONORNXDXEAE-UHFFFAOYSA-N 0 0 248.351 2.234 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CC(C)(C)C[C@H]1C ZINC000669372690 537950212 /nfs/dbraw/zinc/95/02/12/537950212.db2.gz WMFYDFKEVGWFAK-GIPNMCIBSA-N 0 0 226.316 2.391 10 0 BEAERN CCc1ccc(CCC(=O)N2CC=CCN2)cc1 ZINC000628227162 346174704 /nfs/dbraw/zinc/17/47/04/346174704.db2.gz UJFAMZPUZIGWRD-UHFFFAOYSA-N 0 0 244.338 2.085 10 0 BEAERN Cc1ncc([C@H](NN)c2cccs2)s1 ZINC000235959373 346175738 /nfs/dbraw/zinc/17/57/38/346175738.db2.gz SHEIBPFSKFUYKM-SECBINFHSA-N 0 0 225.342 2.066 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CC[C@H](C)[C@@H](C)C1 ZINC000669372721 537950493 /nfs/dbraw/zinc/95/04/93/537950493.db2.gz XLKZZSXQPPMRNL-MEWQQHAOSA-N 0 0 226.316 2.391 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)CC[C@@H](C)[C@H](C)C1 ZINC000669372722 537950516 /nfs/dbraw/zinc/95/05/16/537950516.db2.gz XLKZZSXQPPMRNL-PRULPYPASA-N 0 0 226.316 2.391 10 0 BEAERN CCCc1ccc([C@H](C)S(=O)(=O)NC)cc1 ZINC000669375153 537953219 /nfs/dbraw/zinc/95/32/19/537953219.db2.gz FTQRZEOEVYKCPN-JTQLQIEISA-N 0 0 241.356 2.249 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1nsnc1Cl ZINC000167230931 346214684 /nfs/dbraw/zinc/21/46/84/346214684.db2.gz PVEBVXUMKOLEFK-RFZPGFLSSA-N 0 0 203.698 2.259 10 0 BEAERN CNS(=O)(=O)CC1CCC(C(C)(C)C)CC1 ZINC000669375379 537955943 /nfs/dbraw/zinc/95/59/43/537955943.db2.gz IHVAGLQUBWLXKP-UHFFFAOYSA-N 0 0 247.404 2.388 10 0 BEAERN C[C@@H]1C[C@H]1CNc1nsnc1Cl ZINC000167231139 346214806 /nfs/dbraw/zinc/21/48/06/346214806.db2.gz PVEBVXUMKOLEFK-UHNVWZDZSA-N 0 0 203.698 2.259 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCC[C@H]1C(C)(C)C ZINC000669375719 537956257 /nfs/dbraw/zinc/95/62/57/537956257.db2.gz RQLKJSVCXVNRJD-ZJUUUORDSA-N 0 0 233.377 2.141 10 0 BEAERN Clc1n[nH]c(-c2ncccc2Cl)n1 ZINC000236040753 346185889 /nfs/dbraw/zinc/18/58/89/346185889.db2.gz GSJMYJKQTXDPLF-UHFFFAOYSA-N 0 0 215.043 2.174 10 0 BEAERN C[C@H]1C[C@H]1CNc1ncnc(Cl)c1C=O ZINC000167218604 346213869 /nfs/dbraw/zinc/21/38/69/346213869.db2.gz GQTKWZQKTOFXPX-BQBZGAKWSA-N 0 0 225.679 2.010 10 0 BEAERN O=c1[nH]nc(Cl)cc1-c1cccs1 ZINC000236074054 346189254 /nfs/dbraw/zinc/18/92/54/346189254.db2.gz CQSMOJWLAZKJHR-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN Cc1cc(-c2nnc(N)s2)sc1C ZINC000034101138 346192416 /nfs/dbraw/zinc/19/24/16/346192416.db2.gz SBWSCDCKRHJFLC-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN C[C@H](NN)c1cscc1Br ZINC000167124050 346196534 /nfs/dbraw/zinc/19/65/34/346196534.db2.gz VOJHODDEYTZWJJ-BYPYZUCNSA-N 0 0 221.123 2.035 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000669375483 537955617 /nfs/dbraw/zinc/95/56/17/537955617.db2.gz LNFGCJSWBRGMIP-GHMZBOCLSA-N 0 0 233.377 2.141 10 0 BEAERN C[C@H]1C[C@@H]1CNc1nnc(Br)s1 ZINC000167221880 346216576 /nfs/dbraw/zinc/21/65/76/346216576.db2.gz YEKGXEAPCKZZBR-CRCLSJGQSA-N 0 0 248.149 2.369 10 0 BEAERN N[C@@H](c1ccoc1)c1ncccc1Cl ZINC000236288067 346221491 /nfs/dbraw/zinc/22/14/91/346221491.db2.gz FKZKYNXTKIHIFE-VIFPVBQESA-N 0 0 208.648 2.376 10 0 BEAERN CCn1c2cccc(F)c2nc1C(C)=O ZINC000062365581 346243524 /nfs/dbraw/zinc/24/35/24/346243524.db2.gz PURFUQQCCDZARF-UHFFFAOYSA-N 0 0 206.220 2.398 10 0 BEAERN O[C@@H](CC1OCCO1)c1ccc(Cl)cc1 ZINC000236520684 346245930 /nfs/dbraw/zinc/24/59/30/346245930.db2.gz PBLXLISHFYUSFD-JTQLQIEISA-N 0 0 228.675 2.136 10 0 BEAERN O[C@@H](c1scnc1Br)C1CC1 ZINC000236528936 346246537 /nfs/dbraw/zinc/24/65/37/346246537.db2.gz NPPNPZMRVYUQLK-RXMQYKEDSA-N 0 0 234.118 2.349 10 0 BEAERN O[C@@H](CC1OCCO1)C1CCCCCC1 ZINC000236519614 346247230 /nfs/dbraw/zinc/24/72/30/346247230.db2.gz AVGYTOYFFWFAGX-NSHDSACASA-N 0 0 214.305 2.081 10 0 BEAERN O[C@@H](c1cnsn1)C1=CCCCCC1 ZINC000236561351 346250561 /nfs/dbraw/zinc/25/05/61/346250561.db2.gz HCDGGOVJWOUXMZ-SNVBAGLBSA-N 0 0 210.302 2.462 10 0 BEAERN Cc1cccc(C(=O)NC2CCC(O)CC2)c1C ZINC000035101216 179014253 /nfs/dbraw/zinc/01/42/53/179014253.db2.gz MSMHCCVVMBCXBX-UHFFFAOYSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000068150099 179024197 /nfs/dbraw/zinc/02/41/97/179024197.db2.gz UJEVYIOPSTXTNB-CABZTGNLSA-N 0 0 203.285 2.442 10 0 BEAERN N[C@@H](C(=O)C1CCC1)c1ccc(F)cc1 ZINC000669376728 537963304 /nfs/dbraw/zinc/96/33/04/537963304.db2.gz MCGSTBOQISYXEX-LLVKDONJSA-N 0 0 207.248 2.195 10 0 BEAERN CC(C)c1ccc(OCC(N)=S)cc1 ZINC000005592666 346266820 /nfs/dbraw/zinc/26/68/20/346266820.db2.gz VWDNBWCBLLQLMR-UHFFFAOYSA-N 0 0 209.314 2.475 10 0 BEAERN CCCc1ccc(OCC(N)=S)cc1 ZINC000005592671 346267170 /nfs/dbraw/zinc/26/71/70/346267170.db2.gz SIOHVOSBKNIDID-UHFFFAOYSA-N 0 0 209.314 2.304 10 0 BEAERN CC(C)OCCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300686483 346277890 /nfs/dbraw/zinc/27/78/90/346277890.db2.gz ORHGFYCVBXGMFG-CLLJXQQHSA-N 0 0 239.359 2.354 10 0 BEAERN COc1ccc([C@H](N)C(=O)CC(C)C)cc1 ZINC000669376662 537962577 /nfs/dbraw/zinc/96/25/77/537962577.db2.gz GEVZRPXGRLHIQM-ZDUSSCGKSA-N 0 0 221.300 2.310 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCO[C@H]2C)c1F ZINC000149544809 179022831 /nfs/dbraw/zinc/02/28/31/179022831.db2.gz DPUHZTKMCKVGHE-GXSJLCMTSA-N 0 0 237.274 2.041 10 0 BEAERN CC(=O)CCOc1cccc(F)c1F ZINC000062616106 346292197 /nfs/dbraw/zinc/29/21/97/346292197.db2.gz ZBZFQGJVBZAXQH-UHFFFAOYSA-N 0 0 200.184 2.323 10 0 BEAERN Cc1cccc(C)c1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000297868315 179031010 /nfs/dbraw/zinc/03/10/10/179031010.db2.gz ZIVZXXWGNQTLMX-OLZOCXBDSA-N 0 0 247.338 2.289 10 0 BEAERN COC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC000034472727 346294550 /nfs/dbraw/zinc/29/45/50/346294550.db2.gz UJWHJQXDARGAAH-GFCCVEGCSA-N 0 0 235.327 2.027 10 0 BEAERN S=c1ccnc([C@@H]2CSCCS2)[nH]1 ZINC000236709612 346295220 /nfs/dbraw/zinc/29/52/20/346295220.db2.gz UVOPBBSJAZHSBJ-LURJTMIESA-N 0 0 230.383 2.286 10 0 BEAERN COC[C@H](C)n1ccc2c1cccc2N ZINC000308607676 537965736 /nfs/dbraw/zinc/96/57/36/537965736.db2.gz IITNTWFNFKOKRO-VIFPVBQESA-N 0 0 204.273 2.431 10 0 BEAERN Cc1nc(C(=O)[O-])sc1[C@H]1CC[NH2+][C@@H](C)C1 ZINC000669379329 537977085 /nfs/dbraw/zinc/97/70/85/537977085.db2.gz CBNWFGXHSORJJX-XPUUQOCRSA-N 0 0 240.328 2.005 10 0 BEAERN Cc1c(C=O)cc(Br)cc1[N+](=O)[O-] ZINC000148756214 346429647 /nfs/dbraw/zinc/42/96/47/346429647.db2.gz WIVVLAFNBCVKOU-UHFFFAOYSA-N 0 0 244.044 2.478 10 0 BEAERN Cn1nccc1-c1cc(Cl)cnc1F ZINC000725241456 537978842 /nfs/dbraw/zinc/97/88/42/537978842.db2.gz RJHHPJBTGXQTIR-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN CC(C)=C[C@@H](NN)c1ccc(Cl)cn1 ZINC000229595023 346440581 /nfs/dbraw/zinc/44/05/81/346440581.db2.gz NBNYMRHZEBBKRS-SNVBAGLBSA-N 0 0 211.696 2.206 10 0 BEAERN Nc1cc(Cl)c(N2CCC3(CC3)C2)cc1N ZINC000149129600 346504398 /nfs/dbraw/zinc/50/43/98/346504398.db2.gz AYORSNDAUVWHFG-UHFFFAOYSA-N 0 0 237.734 2.495 10 0 BEAERN Cc1cccc(N)c1C(=O)NCCC(C)C ZINC000019278440 179119329 /nfs/dbraw/zinc/11/93/29/179119329.db2.gz RJWTXKFVQCUMOE-UHFFFAOYSA-N 0 0 220.316 2.353 10 0 BEAERN C[C@@]1(C(=O)N2CCCCC2)CCCS1 ZINC000162753815 346538087 /nfs/dbraw/zinc/53/80/87/346538087.db2.gz XTVYBWVTNJOEIV-NSHDSACASA-N 0 0 213.346 2.285 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000071205094 179119183 /nfs/dbraw/zinc/11/91/83/179119183.db2.gz PHZGBTBFYXPMOS-JOYOIKCWSA-N 0 0 232.327 2.496 10 0 BEAERN CC(=O)CCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000201809858 346577261 /nfs/dbraw/zinc/57/72/61/346577261.db2.gz OLJYZAYNXFAULW-SNVBAGLBSA-N 0 0 223.272 2.134 10 0 BEAERN CO[C@H](C)c1nnc(Br)s1 ZINC000163941680 346584126 /nfs/dbraw/zinc/58/41/26/346584126.db2.gz GBXUJLPSUACDQH-GSVOUGTGSA-N 0 0 223.095 2.008 10 0 BEAERN c1sc(-c2ccncn2)nc1C1CC1 ZINC000164716691 346619464 /nfs/dbraw/zinc/61/94/64/346619464.db2.gz YQBSBZIICLHVKM-UHFFFAOYSA-N 0 0 203.270 2.478 10 0 BEAERN CC[N@H+](C)Cc1cc(Cl)cc(C(=O)[O-])c1 ZINC000669380190 537984249 /nfs/dbraw/zinc/98/42/49/537984249.db2.gz USPCJUICACKXNL-UHFFFAOYSA-N 0 0 227.691 2.490 10 0 BEAERN CC1(C)c2cc(Br)ccc2O[C@H]1O ZINC000149144911 346566775 /nfs/dbraw/zinc/56/67/75/346566775.db2.gz VEBZDEWJLQJJDJ-SECBINFHSA-N 0 0 243.100 2.438 10 0 BEAERN Cn1ccc2c1c(Br)ncc2F ZINC000585672712 346652516 /nfs/dbraw/zinc/65/25/16/346652516.db2.gz SETIMTSEOSCZIM-UHFFFAOYSA-N 0 0 229.052 2.475 10 0 BEAERN CCOC(=O)c1ccc2[nH]cc(Cl)c2n1 ZINC000585681306 346653640 /nfs/dbraw/zinc/65/36/40/346653640.db2.gz YIUOIKSPSQZADO-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN CC(=O)CCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000203511563 346636974 /nfs/dbraw/zinc/63/69/74/346636974.db2.gz KYICKQLVVKMSQN-VHSXEESVSA-N 0 0 211.305 2.003 10 0 BEAERN COC(=O)c1ccc(Oc2cc(N)ccn2)cc1 ZINC000166331652 346672462 /nfs/dbraw/zinc/67/24/62/346672462.db2.gz CJMGTCKMVZDEBH-UHFFFAOYSA-N 0 0 244.250 2.243 10 0 BEAERN CC(=O)CCC(=O)Nc1cc(F)cc(F)c1F ZINC000203576506 346639041 /nfs/dbraw/zinc/63/90/41/346639041.db2.gz XBHHNONOOVDWNI-UHFFFAOYSA-N 0 0 245.200 2.412 10 0 BEAERN CCCC(=O)Nc1cc(OC)c(OC)cc1N ZINC000020342977 168562799 /nfs/dbraw/zinc/56/27/99/168562799.db2.gz BBFHCIADILZPGB-UHFFFAOYSA-N 0 0 238.287 2.025 10 0 BEAERN Cc1cccc(NC(=O)[C@H](C)C(N)=S)c1C ZINC000044832441 179140221 /nfs/dbraw/zinc/14/02/21/179140221.db2.gz SAUYMRRCBWOPKM-SECBINFHSA-N 0 0 236.340 2.164 10 0 BEAERN CCOc1cccc(I)n1 ZINC000167722466 346715321 /nfs/dbraw/zinc/71/53/21/346715321.db2.gz OXFTVEGLOAJPAO-UHFFFAOYSA-N 0 0 249.051 2.085 10 0 BEAERN Cc1cccc(NC(=O)c2cc(N)ccc2F)n1 ZINC000035651447 179142248 /nfs/dbraw/zinc/14/22/48/179142248.db2.gz WVFMKTDJUOKROI-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN COc1cc2c(c(C(C)(C)C)c1)O[C@@H](CO)C2 ZINC000168106637 346725910 /nfs/dbraw/zinc/72/59/10/346725910.db2.gz VITBCRLXWVDMAN-LLVKDONJSA-N 0 0 236.311 2.289 10 0 BEAERN Cc1cccc(NCCN2CCO[C@@H](C)C2)c1 ZINC000053343875 179145315 /nfs/dbraw/zinc/14/53/15/179145315.db2.gz KRFQBHVEGVBVED-ZDUSSCGKSA-N 0 0 234.343 2.128 10 0 BEAERN Cc1cccc(N[C@@](C)(C(N)=O)C2CC2)c1 ZINC000037943431 179155796 /nfs/dbraw/zinc/15/57/96/179155796.db2.gz ZDPPFGZBEIXFOE-CYBMUJFWSA-N 0 0 218.300 2.061 10 0 BEAERN Cc1cccc(N[C@@]2(CO)CCSC2)c1 ZINC000038115099 179155975 /nfs/dbraw/zinc/15/59/75/179155975.db2.gz VFAOTUWHDMVIMP-GFCCVEGCSA-N 0 0 223.341 2.275 10 0 BEAERN Cc1cccc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000037670704 179156080 /nfs/dbraw/zinc/15/60/80/179156080.db2.gz IFYNYQYEFNNXAS-GHMZBOCLSA-N 0 0 206.289 2.369 10 0 BEAERN Cc1cccc(NN)c1Br ZINC000034537593 179152167 /nfs/dbraw/zinc/15/21/67/179152167.db2.gz ZOJIPDPQNHFSJC-UHFFFAOYSA-N 0 0 201.067 2.043 10 0 BEAERN Cc1cccc(OCCCn2ccnc2)c1N ZINC000049326965 179166297 /nfs/dbraw/zinc/16/62/97/179166297.db2.gz BCRKMVDDIZRLEP-UHFFFAOYSA-N 0 0 231.299 2.243 10 0 BEAERN CCOC(=O)c1cc(C2CC2)nc(Cl)n1 ZINC000669380301 537986662 /nfs/dbraw/zinc/98/66/62/537986662.db2.gz KWIPQESQKPGDMF-UHFFFAOYSA-N 0 0 226.663 2.184 10 0 BEAERN Cc1cccc(OCCNc2ccc(N)cn2)c1 ZINC000042895518 179169048 /nfs/dbraw/zinc/16/90/48/179169048.db2.gz JAHIWXSIMILCEE-UHFFFAOYSA-N 0 0 243.310 2.463 10 0 BEAERN Cc1cccc(N[C@](C)(C(N)=O)C(C)C)c1 ZINC000037943362 179159072 /nfs/dbraw/zinc/15/90/72/179159072.db2.gz CIUFQPUAKSUMHL-ZDUSSCGKSA-N 0 0 220.316 2.307 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000387980705 347144208 /nfs/dbraw/zinc/14/42/08/347144208.db2.gz ICHKCWHLVIKONT-FVCCEPFGSA-N 0 0 239.359 2.088 10 0 BEAERN C[C@H]1C[C@H](C(=O)NCC(C)(C)O)CC(C)(C)C1 ZINC000184053519 347147277 /nfs/dbraw/zinc/14/72/77/347147277.db2.gz RLKLATHKXOTILN-QWRGUYRKSA-N 0 0 241.375 2.336 10 0 BEAERN CC(=O)OC(OC(C)=O)c1ccccc1Cl ZINC000038221996 347160256 /nfs/dbraw/zinc/16/02/56/347160256.db2.gz LZGYLUZYGDGNGX-UHFFFAOYSA-N 0 0 242.658 2.465 10 0 BEAERN CCOC(=O)[C@H]1CCC(c2ccccc2)=N1 ZINC000038252262 347161278 /nfs/dbraw/zinc/16/12/78/347161278.db2.gz JZOJNMJUFNGUBH-GFCCVEGCSA-N 0 0 217.268 2.201 10 0 BEAERN CCOP(=O)(OCC)C([N+]#N)=C([O-])OC ZINC000038879787 347169632 /nfs/dbraw/zinc/16/96/32/347169632.db2.gz LLRDVNFNPAGTSW-UHFFFAOYSA-O 0 0 237.172 2.437 10 0 BEAERN Cc1cccc(Oc2nccnc2C(=N)N)c1C ZINC000054380633 179176215 /nfs/dbraw/zinc/17/62/15/179176215.db2.gz DTFAJVWGRATOGG-UHFFFAOYSA-N 0 0 242.282 2.170 10 0 BEAERN O=C(c1ccc(Cl)cc1)[C@H]1COC(=O)C1 ZINC000039626300 347192708 /nfs/dbraw/zinc/19/27/08/347192708.db2.gz VQDBQMGPRBTKAK-MRVPVSSYSA-N 0 0 224.643 2.086 10 0 BEAERN Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])c1 ZINC000049357358 179183422 /nfs/dbraw/zinc/18/34/22/179183422.db2.gz WHVHOTJCQOWBLM-ZJUUUORDSA-N 0 0 207.273 2.119 10 0 BEAERN CC(=O)Oc1cccc2c(C=O)ncc(C)c12 ZINC000039019827 347175082 /nfs/dbraw/zinc/17/50/82/347175082.db2.gz NRFHJAATSWWMJE-UHFFFAOYSA-N 0 0 229.235 2.281 10 0 BEAERN COc1ccccc(-c2cccc(CO)c2)c1=O ZINC000039121705 347179613 /nfs/dbraw/zinc/17/96/13/347179613.db2.gz MQYOHZKZPBCIEH-UHFFFAOYSA-N 0 0 242.274 2.215 10 0 BEAERN CC(=O)c1c(C)oc(=O)c2ccccc21 ZINC000039200559 347182212 /nfs/dbraw/zinc/18/22/12/347182212.db2.gz ZRANMQXDCXUMDX-UHFFFAOYSA-N 0 0 202.209 2.304 10 0 BEAERN NC(=O)c1cc2cccnc2nc1-c1ccccc1 ZINC000039208446 347184952 /nfs/dbraw/zinc/18/49/52/347184952.db2.gz QJGSLUFQJVDFEV-UHFFFAOYSA-N 0 0 249.273 2.396 10 0 BEAERN N#CC1(C#N)O[C@@H]1c1cccc(Cl)c1 ZINC000039252262 347186887 /nfs/dbraw/zinc/18/68/87/347186887.db2.gz QHTCMUIWJSESBR-SECBINFHSA-N 0 0 204.616 2.197 10 0 BEAERN COc1ccc(/C=C/c2cccc[n+]2[O-])cc1 ZINC000039236683 347187525 /nfs/dbraw/zinc/18/75/25/347187525.db2.gz JAQHCTLLLPXFKE-VMPITWQZSA-N 0 0 227.263 2.499 10 0 BEAERN CCOC(=O)c1cc2cc3c(cc2[nH]1)OCCO3 ZINC000039305302 347188678 /nfs/dbraw/zinc/18/86/78/347188678.db2.gz XADONIFRRARJLB-UHFFFAOYSA-N 0 0 247.250 2.116 10 0 BEAERN CCCCNc1nc(N)nc2ccccc21 ZINC000087807887 362794968 /nfs/dbraw/zinc/79/49/68/362794968.db2.gz PDCOEHOYLAKABW-UHFFFAOYSA-N 0 0 216.288 2.424 10 0 BEAERN CC(=O)c1ccc(Cn2cccn2)cc1 ZINC000059834954 347231024 /nfs/dbraw/zinc/23/10/24/347231024.db2.gz DGBFLTULGBCVHW-UHFFFAOYSA-N 0 0 200.241 2.134 10 0 BEAERN CCOC(=O)[C@H]1CNc2cccc(Cl)c2O1 ZINC000060270880 347238601 /nfs/dbraw/zinc/23/86/01/347238601.db2.gz MUQOFNHCGYPMLH-SECBINFHSA-N 0 0 241.674 2.076 10 0 BEAERN COCc1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725242949 537987766 /nfs/dbraw/zinc/98/77/66/537987766.db2.gz CBPNSQAXLLLRKJ-UHFFFAOYSA-N 0 0 235.287 2.013 10 0 BEAERN CCCc1nc2cc(C)c(C)c(O)n2n1 ZINC000725242952 537988444 /nfs/dbraw/zinc/98/84/44/537988444.db2.gz CGOZDEUUCCGJHW-UHFFFAOYSA-N 0 0 205.261 2.004 10 0 BEAERN CCC1(CNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188983799 347293006 /nfs/dbraw/zinc/29/30/06/347293006.db2.gz IBZMJOQQPSWBAZ-GHMZBOCLSA-N 0 0 225.332 2.108 10 0 BEAERN CCC1(CNC(=O)[C@@H]2CCCO[C@H]2C)CCC1 ZINC000189150265 347297308 /nfs/dbraw/zinc/29/73/08/347297308.db2.gz XYLHMILSKWUYJI-NWDGAFQWSA-N 0 0 239.359 2.498 10 0 BEAERN C[C@H](O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000149505825 347283958 /nfs/dbraw/zinc/28/39/58/347283958.db2.gz SKGCMMQLWFTJPO-AAEUAGOBSA-N 0 0 249.310 2.026 10 0 BEAERN O=C1CCC(O)(COCc2ccccc2)CC1 ZINC000113798731 347352211 /nfs/dbraw/zinc/35/22/11/347352211.db2.gz ZCGXUQGKKLQFCZ-UHFFFAOYSA-N 0 0 234.295 2.077 10 0 BEAERN O=C(c1cc[nH]c(=O)c1)N1CCCC12CCCC2 ZINC000310858390 347312325 /nfs/dbraw/zinc/31/23/25/347312325.db2.gz RAVAJKPPLYYODN-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN Cc1n[nH]c2c1c(=O)[nH]c1c(C)cccc21 ZINC000028956954 179225553 /nfs/dbraw/zinc/22/55/53/179225553.db2.gz IYBUCMWWVXTUIA-UHFFFAOYSA-N 0 0 213.240 2.021 10 0 BEAERN CC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000118482432 347364142 /nfs/dbraw/zinc/36/41/42/347364142.db2.gz VANSSXURRDRSAH-UHFFFAOYSA-N 0 0 248.669 2.089 10 0 BEAERN O=C(OCc1ccccc1)[C@H]1CCC[C@@H](O)C1 ZINC000118826756 347365501 /nfs/dbraw/zinc/36/55/01/347365501.db2.gz NEAMXHCILVUVBV-QWHCGFSZSA-N 0 0 234.295 2.281 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CCN1 ZINC000138277115 347368002 /nfs/dbraw/zinc/36/80/02/347368002.db2.gz BFQQCYSPWIXGQG-STQMWFEESA-N 0 0 233.311 2.085 10 0 BEAERN COC(=O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000019885636 347375667 /nfs/dbraw/zinc/37/56/67/347375667.db2.gz HQIHHJSAMPIINN-QMMMGPOBSA-N 0 0 227.691 2.164 10 0 BEAERN COC(=O)c1ccc([C@@H](O)c2nccs2)cc1 ZINC000145315549 347388822 /nfs/dbraw/zinc/38/88/22/347388822.db2.gz YXPNRKGSVWMZFZ-SNVBAGLBSA-N 0 0 249.291 2.011 10 0 BEAERN Cc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)C(=O)[O-] ZINC000049357835 179220931 /nfs/dbraw/zinc/22/09/31/179220931.db2.gz KERSSBDLUYBLOW-PWSUYJOCSA-N 0 0 249.310 2.271 10 0 BEAERN Cc1ccc(O)c(C(=O)N[C@H](C)C(C)C)c1 ZINC000020304752 347394864 /nfs/dbraw/zinc/39/48/64/347394864.db2.gz YXBFJVKUICYJIZ-SNVBAGLBSA-N 0 0 221.300 2.475 10 0 BEAERN C[C@H]1Cc2c(c(Br)ccc2O)O1 ZINC000616567630 347431456 /nfs/dbraw/zinc/43/14/56/347431456.db2.gz FLFDNTUCKJQCMM-YFKPBYRVSA-N 0 0 229.073 2.478 10 0 BEAERN Nc1nc(Cc2cccc(Cl)c2)ns1 ZINC000036753203 347448803 /nfs/dbraw/zinc/44/88/03/347448803.db2.gz ZFCUVHPMXQGSLL-UHFFFAOYSA-N 0 0 225.704 2.365 10 0 BEAERN CCc1cc(Cl)nc(C[C@H]2CCCO2)n1 ZINC000036755677 347449061 /nfs/dbraw/zinc/44/90/61/347449061.db2.gz LWAUHEFZCGMFFD-SECBINFHSA-N 0 0 226.707 2.414 10 0 BEAERN c1cc(=NCc2scnc2C2CC2)[nH]o1 ZINC000380109110 365885010 /nfs/dbraw/zinc/88/50/10/365885010.db2.gz NSOWKCZEHQLJRI-UHFFFAOYSA-N 0 0 221.285 2.043 10 0 BEAERN Cc1ccccc1-n1nnc(CO)c1C(C)(C)C ZINC000062244365 179242566 /nfs/dbraw/zinc/24/25/66/179242566.db2.gz QRARZFQFDZJLIE-UHFFFAOYSA-N 0 0 245.326 2.366 10 0 BEAERN Cc1ccccc1/C=C/c1noc(CN)n1 ZINC000073641093 179244409 /nfs/dbraw/zinc/24/44/09/179244409.db2.gz HEIZKCWHENWGTG-VOTSOKGWSA-N 0 0 215.256 2.007 10 0 BEAERN CCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000012296076 347468075 /nfs/dbraw/zinc/46/80/75/347468075.db2.gz XIIBBECLCMDGAO-UHFFFAOYSA-N 0 0 248.282 2.146 10 0 BEAERN COc1ccc2c(c1)C[C@H](C(N)=S)CC2 ZINC000616569033 347519218 /nfs/dbraw/zinc/51/92/18/347519218.db2.gz PHXZTYIUTVOMBT-SECBINFHSA-N 0 0 221.325 2.086 10 0 BEAERN COc1cc(C)cnc1I ZINC000149845781 347529905 /nfs/dbraw/zinc/52/99/05/347529905.db2.gz FZVQZMLGYSQBLD-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN Cc1ccccc1C(F)(F)C(N)=S ZINC000068576793 179255678 /nfs/dbraw/zinc/25/56/78/179255678.db2.gz VHQPOCPHHZSPPM-UHFFFAOYSA-N 0 0 201.241 2.373 10 0 BEAERN Cc1ccccc1CCC(=O)N1CCCO1 ZINC000125471202 179260809 /nfs/dbraw/zinc/26/08/09/179260809.db2.gz OGCPARPICILKLP-UHFFFAOYSA-N 0 0 219.284 2.092 10 0 BEAERN Cc1ccccc1C[N@H+]1CC=C(C(=O)[O-])CC1 ZINC000049453600 179271675 /nfs/dbraw/zinc/27/16/75/179271675.db2.gz GUGJNWBBVMOWIK-UHFFFAOYSA-N 0 0 231.295 2.212 10 0 BEAERN Cc1nc2cc(C(C)(C)C)cc(O)n2n1 ZINC000725243352 537991450 /nfs/dbraw/zinc/99/14/50/537991450.db2.gz YREVKJWHQXJXFW-UHFFFAOYSA-N 0 0 205.261 2.041 10 0 BEAERN Cc1ccccc1CSc1nnc(CN)o1 ZINC000008039306 179287424 /nfs/dbraw/zinc/28/74/24/179287424.db2.gz JVMIWWPMWONWGK-UHFFFAOYSA-N 0 0 235.312 2.129 10 0 BEAERN CCOC(=O)[C@H](CC)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000592181646 347759526 /nfs/dbraw/zinc/75/95/26/347759526.db2.gz ONOYGMZPYQICRU-WHOHXGKFSA-N 0 0 225.332 2.106 10 0 BEAERN CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ncc[nH]1 ZINC000252981637 347831088 /nfs/dbraw/zinc/83/10/88/347831088.db2.gz RZMLXMLAGFMNDF-LMLFDSFASA-N 0 0 233.315 2.023 10 0 BEAERN C[Si](C)(C)[C@@]1(O)CCCCCC[C@H]1O ZINC000196183509 347819099 /nfs/dbraw/zinc/81/90/99/347819099.db2.gz NKJFJKGLRMWNME-MNOVXSKESA-N 0 0 216.397 2.310 10 0 BEAERN Cc1ccccc1N[C@@H](C)C(=O)N1CCCC1 ZINC000057324337 179305626 /nfs/dbraw/zinc/30/56/26/179305626.db2.gz TVSMSGVJUVXSPB-LBPRGKRZSA-N 0 0 232.327 2.418 10 0 BEAERN Cc1ccccc1N[C@@](C)(C(N)=O)C1CC1 ZINC000037942118 179307169 /nfs/dbraw/zinc/30/71/69/179307169.db2.gz IQTIGUAXICXEIM-CYBMUJFWSA-N 0 0 218.300 2.061 10 0 BEAERN Cc1ccccc1N[C@H](C)C(=O)N1CCCC1 ZINC000057324340 179307341 /nfs/dbraw/zinc/30/73/41/179307341.db2.gz TVSMSGVJUVXSPB-GFCCVEGCSA-N 0 0 232.327 2.418 10 0 BEAERN Nc1ccc2c(c1)C(=O)c1cc(N)ccc1CC2 ZINC000196338434 347868709 /nfs/dbraw/zinc/86/87/09/347868709.db2.gz FHAOUYPDPCNBJV-UHFFFAOYSA-N 0 0 238.290 2.181 10 0 BEAERN O=C(Cc1ccc(O)cc1)OCc1ccco1 ZINC000196406436 347877412 /nfs/dbraw/zinc/87/74/12/347877412.db2.gz VOFDYUKETZQMHD-UHFFFAOYSA-N 0 0 232.235 2.271 10 0 BEAERN Cc1ccccc1N[C@@H](C(N)=O)C(C)(C)C ZINC000041051704 179306198 /nfs/dbraw/zinc/30/61/98/179306198.db2.gz AHUSWXGBJUUNAK-NSHDSACASA-N 0 0 220.316 2.307 10 0 BEAERN Cc1ccccc1N[C@](C)(C(N)=O)C1CC1 ZINC000037942117 179306833 /nfs/dbraw/zinc/30/68/33/179306833.db2.gz IQTIGUAXICXEIM-ZDUSSCGKSA-N 0 0 218.300 2.061 10 0 BEAERN CCOC(=O)CCc1ncoc1C(C)C ZINC000725243667 537994289 /nfs/dbraw/zinc/99/42/89/537994289.db2.gz BKPJTHCFOJRRRF-UHFFFAOYSA-N 0 0 211.261 2.294 10 0 BEAERN Cc1ccccc1OCc1ccn(C)n1 ZINC000212085042 179313178 /nfs/dbraw/zinc/31/31/78/179313178.db2.gz XDEZBWGKINDTKZ-UHFFFAOYSA-N 0 0 202.257 2.308 10 0 BEAERN CC(C)N(C)c1n[nH]c(=S)n1C(C)C ZINC000036865481 347954374 /nfs/dbraw/zinc/95/43/74/347954374.db2.gz GUCLVZNIBLGROZ-UHFFFAOYSA-N 0 0 214.338 2.366 10 0 BEAERN O=C1CCCS(=O)(=O)c2c(Cl)cccc21 ZINC000036928867 347965578 /nfs/dbraw/zinc/96/55/78/347965578.db2.gz CVRRUFUCFANQRS-UHFFFAOYSA-N 0 0 244.699 2.090 10 0 BEAERN Cc1ccccc1[C@@H]1C=CS(=O)(=O)C1 ZINC000040173758 179329002 /nfs/dbraw/zinc/32/90/02/179329002.db2.gz VFJMLTGQTFGWNW-SNVBAGLBSA-N 0 0 208.282 2.021 10 0 BEAERN CC(=O)CCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000201893008 347943507 /nfs/dbraw/zinc/94/35/07/347943507.db2.gz TTWYYQKXEPEYTO-AWEZNQCLSA-N 0 0 245.322 2.029 10 0 BEAERN Nc1ccc(NCc2cccs2)cn1 ZINC000036984613 347996680 /nfs/dbraw/zinc/99/66/80/347996680.db2.gz KXRFWHPUDVMJRK-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN C=CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037002389 348001032 /nfs/dbraw/zinc/00/10/32/348001032.db2.gz ZJCWVVPIOYKUJG-ZETCQYMHSA-N 0 0 211.211 2.328 10 0 BEAERN Clc1ccc(Sc2ncccn2)nn1 ZINC000037066165 348019142 /nfs/dbraw/zinc/01/91/42/348019142.db2.gz ONXPPJQKXDJTFU-UHFFFAOYSA-N 0 0 224.676 2.071 10 0 BEAERN C/C=C\C(=O)NC[C@@H]1CCNc2ccccc21 ZINC000616570357 348069713 /nfs/dbraw/zinc/06/97/13/348069713.db2.gz FURQOMBMMOYCFL-SROOVFNMSA-N 0 0 230.311 2.278 10 0 BEAERN CS[C@@H]1CCC[C@@H]1Nc1cnccn1 ZINC000230915984 349981454 /nfs/dbraw/zinc/98/14/54/349981454.db2.gz JPCHPFNTSZGGET-DTWKUNHWSA-N 0 0 209.318 2.173 10 0 BEAERN Cc1ccccc1[C@H](N)c1noc(C2CC2)n1 ZINC000036764073 179343026 /nfs/dbraw/zinc/34/30/26/179343026.db2.gz QQHZQMOGZFVJCJ-NSHDSACASA-N 0 0 229.283 2.304 10 0 BEAERN CC(=O)N(C)c1ccccc1NC(=O)CC1CC1 ZINC000118260934 187385661 /nfs/dbraw/zinc/38/56/61/187385661.db2.gz IIMLCMXEAMVVCA-UHFFFAOYSA-N 0 0 246.310 2.408 10 0 BEAERN Nc1cccc(Cl)c1SCCO ZINC000037195305 348112995 /nfs/dbraw/zinc/11/29/95/348112995.db2.gz QQSHEFIZUGHGKI-UHFFFAOYSA-N 0 0 203.694 2.007 10 0 BEAERN Cc1ccccc1[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000037183038 179350663 /nfs/dbraw/zinc/35/06/63/179350663.db2.gz BAHZVISTUPSJIA-ZDUSSCGKSA-N 0 0 221.300 2.293 10 0 BEAERN Cc1cccn2c(N)c(-c3cccnc3)nc12 ZINC000036222056 179355580 /nfs/dbraw/zinc/35/55/80/179355580.db2.gz VDBDFICOXJTMMS-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1cccnc1-c1noc([C@@H]2CCCC2=O)n1 ZINC000104060102 179359685 /nfs/dbraw/zinc/35/96/85/179359685.db2.gz NLWLYLNMPDCRLM-SECBINFHSA-N 0 0 243.266 2.277 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000251267032 362851277 /nfs/dbraw/zinc/85/12/77/362851277.db2.gz ZMLCZNSWCUOCBZ-JGPRNRPPSA-N 0 0 219.284 2.250 10 0 BEAERN NC(=S)CCc1cc(C(F)F)ccn1 ZINC000725244534 537998603 /nfs/dbraw/zinc/99/86/03/537998603.db2.gz YHERWDIZUKFQDP-UHFFFAOYSA-N 0 0 216.256 2.238 10 0 BEAERN Cn1cc(-c2ccc(N)c(Cl)c2)cn1 ZINC000203795373 348216946 /nfs/dbraw/zinc/21/69/46/348216946.db2.gz LOCABMSMAIYOHU-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12C[C@@H]1CCCC[C@@H]12 ZINC000669382141 537998840 /nfs/dbraw/zinc/99/88/40/537998840.db2.gz AOIMETFHBNTZHK-DJIHRAIXSA-N 0 0 224.300 2.287 10 0 BEAERN CCc1c(Cl)nc2c(C)cccn2c1=O ZINC000725245489 538000143 /nfs/dbraw/zinc/00/01/43/538000143.db2.gz UEWRZWDHTUCEJE-UHFFFAOYSA-N 0 0 222.675 2.219 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000037256770 348293227 /nfs/dbraw/zinc/29/32/27/348293227.db2.gz XPBCUPVLSBPLNO-NXEZZACHSA-N 0 0 207.277 2.020 10 0 BEAERN Cc1cccnc1N[C@@H](C)[C@@H]1CCCO1 ZINC000051040923 179394683 /nfs/dbraw/zinc/39/46/83/179394683.db2.gz LKMVDVKBHJJDOG-QWRGUYRKSA-N 0 0 206.289 2.369 10 0 BEAERN CC(C)[C@H](C)Nc1ccc2nccnc2n1 ZINC000082666549 348301791 /nfs/dbraw/zinc/30/17/91/348301791.db2.gz ZBCCZKGLEFYLQW-VIFPVBQESA-N 0 0 216.288 2.481 10 0 BEAERN NNCc1cc(Br)ccc1Cl ZINC000037287718 348310430 /nfs/dbraw/zinc/31/04/30/348310430.db2.gz SOBTVAJOCMJERZ-UHFFFAOYSA-N 0 0 235.512 2.066 10 0 BEAERN Cc1cccnc1NC(=O)c1ccc(O)cc1 ZINC000019836788 179393519 /nfs/dbraw/zinc/39/35/19/179393519.db2.gz PJSMRJMNOQCPNT-UHFFFAOYSA-N 0 0 228.251 2.348 10 0 BEAERN Cc1cccnc1NC(=O)c1ccccc1N ZINC000013208861 179394129 /nfs/dbraw/zinc/39/41/29/179394129.db2.gz NNHSMCWCONKKMB-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN COCC(=O)c1sccc1Br ZINC000037346612 348348392 /nfs/dbraw/zinc/34/83/92/348348392.db2.gz HOGORUGTFSXPJZ-UHFFFAOYSA-N 0 0 235.102 2.340 10 0 BEAERN Cc1ccn(-c2cnc(Br)s2)n1 ZINC000072193211 179399652 /nfs/dbraw/zinc/39/96/52/179399652.db2.gz USBRQZVQNMKRDI-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN Clc1nc(N2CCCC2)nc2c1CCC2 ZINC000042400299 187394626 /nfs/dbraw/zinc/39/46/26/187394626.db2.gz ZDCHJLBSYDBYTN-UHFFFAOYSA-N 0 0 223.707 2.219 10 0 BEAERN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000251547299 362886171 /nfs/dbraw/zinc/88/61/71/362886171.db2.gz LSZJWULJOOLQFY-ONGXEEELSA-N 0 0 211.305 2.114 10 0 BEAERN NC(=O)c1cc(Cl)cc(CBr)c1 ZINC000204534543 348340548 /nfs/dbraw/zinc/34/05/48/348340548.db2.gz ZQRKIFJPKUJZRR-UHFFFAOYSA-N 0 0 248.507 2.334 10 0 BEAERN C[C@@H]1CCCN(C2N=NC(=S)S2)[C@H]1C ZINC000251589321 362889436 /nfs/dbraw/zinc/88/94/36/362889436.db2.gz BHBBWQQUOVESQN-RQJHMYQMSA-N 0 0 229.374 2.452 10 0 BEAERN Cc1cccnc1N[C@@H](CO)Cc1ccccc1 ZINC000063218801 179395967 /nfs/dbraw/zinc/39/59/67/179395967.db2.gz KAMGFCPNFBDHOP-CQSZACIVSA-N 0 0 242.322 2.406 10 0 BEAERN Cc1cccnc1N[C@H](C)[C@H]1CCCO1 ZINC000051040926 179396246 /nfs/dbraw/zinc/39/62/46/179396246.db2.gz LKMVDVKBHJJDOG-GHMZBOCLSA-N 0 0 206.289 2.369 10 0 BEAERN CC(C)CN(C)c1nsnc1Cl ZINC000037372321 348355672 /nfs/dbraw/zinc/35/56/72/348355672.db2.gz MLLNFKZAXFSURS-UHFFFAOYSA-N 0 0 205.714 2.284 10 0 BEAERN CCN1CCC[C@@H]1CNc1nsnc1Cl ZINC000037372273 348355857 /nfs/dbraw/zinc/35/58/57/348355857.db2.gz WNQDLMCWMUKMKP-SSDOTTSWSA-N 0 0 246.767 2.088 10 0 BEAERN C[C@@H]1C[C@H](C)C[C@@](CC(=O)[O-])([NH+](C)C)C1 ZINC000251721273 362900935 /nfs/dbraw/zinc/90/09/35/362900935.db2.gz CACQMYLOUJEGSI-IAZYJMLFSA-N 0 0 213.321 2.218 10 0 BEAERN [NH3+]C[C@@H](CC(=O)[O-])c1ccc(C(F)F)cc1 ZINC000124706619 538003226 /nfs/dbraw/zinc/00/32/26/538003226.db2.gz DDHADMKMBIDYEF-SECBINFHSA-N 0 0 229.226 2.141 10 0 BEAERN Cc1cc(Br)c2cnn(C)c2n1 ZINC000216200077 349986949 /nfs/dbraw/zinc/98/69/49/349986949.db2.gz QCTYUPBHWHJMRE-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN Cc1noc2nc(C(F)(F)F)cc(N)c12 ZINC000669382488 538004313 /nfs/dbraw/zinc/00/43/13/538004313.db2.gz BFKMFPVXUDWGHN-UHFFFAOYSA-N 0 0 217.150 2.132 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)CC1CCCC1 ZINC000669382735 538004707 /nfs/dbraw/zinc/00/47/07/538004707.db2.gz KRRTZGAQXPJYNZ-GHMZBOCLSA-N 0 0 232.707 2.464 10 0 BEAERN COCOc1cnc(Cl)cc1[C@@H](O)C(C)C ZINC000725245972 538004859 /nfs/dbraw/zinc/00/48/59/538004859.db2.gz NMHUQOOKQLBFLS-NSHDSACASA-N 0 0 245.706 2.407 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCCCC[C@@H]2C ZINC000669382723 538005377 /nfs/dbraw/zinc/00/53/77/538005377.db2.gz KGPJJXYECQROEE-NHCYSSNCSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 ZINC000222029166 349990333 /nfs/dbraw/zinc/99/03/33/349990333.db2.gz OIEYNGLRKAEMRI-VWYCJHECSA-N 0 0 213.321 2.218 10 0 BEAERN Cc1ccnc(N[C@]2(CO)CCC[C@@H](C)C2)n1 ZINC000061859510 179461885 /nfs/dbraw/zinc/46/18/85/179461885.db2.gz VSXYZTSWBOYOLW-ZWNOBZJWSA-N 0 0 235.331 2.138 10 0 BEAERN CC[C@H](O)c1cc(Cl)ncc1OCOC ZINC000725246059 538006817 /nfs/dbraw/zinc/00/68/17/538006817.db2.gz QMERORLUIUZJEM-QMMMGPOBSA-N 0 0 231.679 2.161 10 0 BEAERN Cc1ccoc1C(=O)N1CCc2cc(N)ccc21 ZINC000019874562 179503820 /nfs/dbraw/zinc/50/38/20/179503820.db2.gz HZLATYUCBLHKII-UHFFFAOYSA-N 0 0 242.278 2.373 10 0 BEAERN Cc1cccc(C)c1C(=O)NC[C@H](O)C(C)(C)C ZINC000269645539 187398870 /nfs/dbraw/zinc/39/88/70/187398870.db2.gz YUHRKFMRPYVUOY-LBPRGKRZSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1cn(-c2ccc(Cl)c(N)c2)cn1 ZINC000082656009 179557743 /nfs/dbraw/zinc/55/77/43/179557743.db2.gz QZUXPIXXCIQGKW-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CCOC(=O)/C=C/c1cccc(OC)c1OC ZINC000057952385 348657672 /nfs/dbraw/zinc/65/76/72/348657672.db2.gz ZRPIWXVGAWRSMB-CMDGGOBGSA-N 0 0 236.267 2.280 10 0 BEAERN O=C1OC[C@H]2CCc3ccccc3C=C[C@@H]12 ZINC000048522924 348657970 /nfs/dbraw/zinc/65/79/70/348657970.db2.gz OSRNKRFHCGGMKD-CHWSQXEVSA-N 0 0 214.264 2.435 10 0 BEAERN CC1(C)CCC[C@H](C[C@@H](C[NH3+])C(=O)[O-])C1 ZINC000725246772 538009113 /nfs/dbraw/zinc/00/91/13/538009113.db2.gz WITGMUZLMMOXGV-ZJUUUORDSA-N 0 0 213.321 2.252 10 0 BEAERN CCC[C@@]1(C(=O)OCC)OC12CC(SC)C2 ZINC000669383513 538009136 /nfs/dbraw/zinc/00/91/36/538009136.db2.gz SFRUWBNXRXVHGV-NHNAUAITSA-N 0 0 244.356 2.383 10 0 BEAERN Cc1cc(=O)n(-c2ccccc2Cl)o1 ZINC000207002116 348717382 /nfs/dbraw/zinc/71/73/82/348717382.db2.gz KOXHPYOXDJVDCS-UHFFFAOYSA-N 0 0 209.632 2.392 10 0 BEAERN Cc1cnc(NC(=O)[C@@H]2CCCO[C@H]2C)s1 ZINC000188974172 179628432 /nfs/dbraw/zinc/62/84/32/179628432.db2.gz MQFXOFBHECKYMV-DTWKUNHWSA-N 0 0 240.328 2.205 10 0 BEAERN COc1ccccc1[C@@]1(O)CCS[C@@H]1C ZINC000211607099 323195193 /nfs/dbraw/zinc/19/51/93/323195193.db2.gz YDSHYWJFQDIFMU-BXKDBHETSA-N 0 0 224.325 2.408 10 0 BEAERN Cc1cnc2c(c1)C[C@@H](C)C[C@H]2C(N)=S ZINC000039212837 179656196 /nfs/dbraw/zinc/65/61/96/179656196.db2.gz RHNVDGQZTHHJRU-GMSGAONNSA-N 0 0 220.341 2.342 10 0 BEAERN COc1cc(C(F)(F)F)cc(N)c1O ZINC000214776868 350000660 /nfs/dbraw/zinc/00/06/60/350000660.db2.gz UDPXNXZQDODGRG-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CCc1noc2nc(C(F)F)cc(NN)c12 ZINC000669384141 538013520 /nfs/dbraw/zinc/01/35/20/538013520.db2.gz OJLGFSMNCPUHDF-UHFFFAOYSA-N 0 0 228.202 2.008 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]1(C)CC1CCC1 ZINC000669384133 538012258 /nfs/dbraw/zinc/01/22/58/538012258.db2.gz OFEKBABIKSHDAI-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCCCC[C@@H]2C ZINC000669383613 538012691 /nfs/dbraw/zinc/01/26/91/538012691.db2.gz TYCAZBPUZYGZDD-ZMLRMANQSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)Cc1cccs1 ZINC000669383941 538014140 /nfs/dbraw/zinc/01/41/40/538014140.db2.gz YLEJPNSFZTYJTQ-NXEZZACHSA-N 0 0 246.715 2.188 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]1(C)Cc1ccsc1 ZINC000669384438 538014759 /nfs/dbraw/zinc/01/47/59/538014759.db2.gz VZOAIAXPUOJFFQ-VXGBXAGGSA-N 0 0 240.324 2.401 10 0 BEAERN C[NH2+][C@H](C)C(=O)N(Cc1cccs1)C(C)C ZINC000054076573 348879520 /nfs/dbraw/zinc/87/95/20/348879520.db2.gz QRLPRNCUWDLPIT-SNVBAGLBSA-N 0 0 240.372 2.093 10 0 BEAERN CCC(=O)[C@@H](CC(=O)CC(C)(C)C)C(=O)OC ZINC000725248368 538015805 /nfs/dbraw/zinc/01/58/05/538015805.db2.gz SFEPQVROPDVQRH-SNVBAGLBSA-N 0 0 242.315 2.150 10 0 BEAERN Cc1nc2cc(C)cc(Br)n2n1 ZINC000725247934 538015291 /nfs/dbraw/zinc/01/52/91/538015291.db2.gz DVDTVXCJRUHLPY-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN CCc1cc(NN)c2c(n1)onc2C(C)C ZINC000669384523 538017178 /nfs/dbraw/zinc/01/71/78/538017178.db2.gz XLZPBQWVMPXCAI-UHFFFAOYSA-N 0 0 220.276 2.194 10 0 BEAERN Nc1c(-c2cccc(N)c2)cnn1C1CC1 ZINC000669384928 538018414 /nfs/dbraw/zinc/01/84/14/538018414.db2.gz OBGCURIGOOSFSK-UHFFFAOYSA-N 0 0 214.272 2.049 10 0 BEAERN CCc1noc2nc(C3CC3)cc(N)c12 ZINC000669384555 538016335 /nfs/dbraw/zinc/01/63/35/538016335.db2.gz YBCZYKJEJWALKW-UHFFFAOYSA-N 0 0 203.245 2.245 10 0 BEAERN CC1CCC(n2cccc(N)c2=O)CC1 ZINC000725248535 538016318 /nfs/dbraw/zinc/01/63/18/538016318.db2.gz QIENMYFLZMDYQJ-UHFFFAOYSA-N 0 0 206.289 2.182 10 0 BEAERN Cc1ncc(CN[C@H](C)c2cncc(F)c2)o1 ZINC000397890956 362933588 /nfs/dbraw/zinc/93/35/88/362933588.db2.gz MJCOHHACHLNDMF-MRVPVSSYSA-N 0 0 235.262 2.368 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCC21CCCCC1 ZINC000669384587 538016792 /nfs/dbraw/zinc/01/67/92/538016792.db2.gz YLBSDUYLPDJJRQ-GWCFXTLKSA-N 0 0 224.300 2.431 10 0 BEAERN CCO[C@@]1(C(N)=S)CCC[C@@H](C)C1 ZINC000159159729 348981440 /nfs/dbraw/zinc/98/14/40/348981440.db2.gz MOXPIIIYKCIRMO-SCZZXKLOSA-N 0 0 201.335 2.258 10 0 BEAERN CC[C@@H](C)[C@H](C)n1cc(N)c(C)cc1=O ZINC000725249278 538019550 /nfs/dbraw/zinc/01/95/50/538019550.db2.gz XHWATRNTHYTCPM-SCZZXKLOSA-N 0 0 208.305 2.346 10 0 BEAERN C[C@@H]1CCCC[C@H]1n1cccc(N)c1=O ZINC000725249273 538019914 /nfs/dbraw/zinc/01/99/14/538019914.db2.gz VPIOONZCQCJKDP-MWLCHTKSSA-N 0 0 206.289 2.182 10 0 BEAERN CC(C)(C)c1ccc2c(c1)N[C@H](CO)CO2 ZINC000040564524 187428040 /nfs/dbraw/zinc/42/80/40/187428040.db2.gz KTQISDBLXJTXNF-SNVBAGLBSA-N 0 0 221.300 2.149 10 0 BEAERN COc1ccc(CNc2ncco2)cc1 ZINC000008699329 187413647 /nfs/dbraw/zinc/41/36/47/187413647.db2.gz SMCURNLNODWKQR-UHFFFAOYSA-N 0 0 204.229 2.295 10 0 BEAERN Nc1ccn(CC[C@@H]2CCCC2(F)F)n1 ZINC000725249805 538023386 /nfs/dbraw/zinc/02/33/86/538023386.db2.gz HRAZFGNYVKDTJO-QMMMGPOBSA-N 0 0 215.247 2.291 10 0 BEAERN C/C=C\C(=O)NCc1c(C)ccc(N)c1C ZINC000616573352 349069281 /nfs/dbraw/zinc/06/92/81/349069281.db2.gz RVZKMOUWKGXISJ-PLNGDYQASA-N 0 0 218.300 2.078 10 0 BEAERN C/C=C/C(=O)NCc1c(C)ccc(N)c1C ZINC000616573356 349069463 /nfs/dbraw/zinc/06/94/63/349069463.db2.gz RVZKMOUWKGXISJ-SNAWJCMRSA-N 0 0 218.300 2.078 10 0 BEAERN CC(C)(F)Cn1ncc2ccc(N)cc21 ZINC000725250121 538024100 /nfs/dbraw/zinc/02/41/00/538024100.db2.gz ZGBCXAHXPBHYOI-UHFFFAOYSA-N 0 0 207.252 2.367 10 0 BEAERN CCOc1cc(OC(F)(F)F)ccc1C(N)=O ZINC000616575302 349083704 /nfs/dbraw/zinc/08/37/04/349083704.db2.gz BZPOCSKYQOYBLD-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1cc(C(N)=O)ccc1OC(F)(F)F ZINC000616577162 349107700 /nfs/dbraw/zinc/10/77/00/349107700.db2.gz WAJGPUJATXLQBY-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CC1(CCNc2ccccc2)OCCO1 ZINC000616575868 349094738 /nfs/dbraw/zinc/09/47/38/349094738.db2.gz DRYOZUIQTZVWAQ-UHFFFAOYSA-N 0 0 207.273 2.252 10 0 BEAERN CC(=O)c1cccc(N)c1OC(F)(F)F ZINC000616576735 349103336 /nfs/dbraw/zinc/10/33/36/349103336.db2.gz ZNBCERHLQQNDES-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN O[C@H](C[C@@H]1CO1)c1cccc(Br)c1 ZINC000616573223 349068016 /nfs/dbraw/zinc/06/80/16/349068016.db2.gz ZFXJAMRMPCWLCY-NXEZZACHSA-N 0 0 243.100 2.271 10 0 BEAERN C[C@H](O)c1cccc(I)c1 ZINC000059275177 349213023 /nfs/dbraw/zinc/21/30/23/349213023.db2.gz LYJBCPWDFZXLNE-LURJTMIESA-N 0 0 248.063 2.345 10 0 BEAERN C=CC(=O)N1N=Cc2ccccc2[C@@H]1C ZINC000199459580 349225159 /nfs/dbraw/zinc/22/51/59/349225159.db2.gz SNKYIOMNMJROFS-VIFPVBQESA-N 0 0 200.241 2.110 10 0 BEAERN CCc1ccc(C(N)=O)cc1OC(F)(F)F ZINC000616579750 349199084 /nfs/dbraw/zinc/19/90/84/349199084.db2.gz OMGNBBHEALUXSV-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN Cc1nc(-c2cc3cc(F)ccc3[nH]2)n[nH]1 ZINC000067514183 179810939 /nfs/dbraw/zinc/81/09/39/179810939.db2.gz ASCZAWRJGXGIPR-UHFFFAOYSA-N 0 0 216.219 2.401 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)c1cc(N)ccc1F ZINC000036733424 179829652 /nfs/dbraw/zinc/82/96/52/179829652.db2.gz UAQRJOHAEHPSNM-UHFFFAOYSA-N 0 0 248.261 2.000 10 0 BEAERN CC(=O)c1ccc(Sc2nccc(=O)[nH]2)cc1 ZINC000034633160 349259719 /nfs/dbraw/zinc/25/97/19/349259719.db2.gz RUYVSZFCZOUDJX-UHFFFAOYSA-N 0 0 246.291 2.124 10 0 BEAERN FC(F)(F)c1ccccc1-n1cncn1 ZINC000060047262 349267000 /nfs/dbraw/zinc/26/70/00/349267000.db2.gz JPVDVJDCRCUAOC-UHFFFAOYSA-N 0 0 213.162 2.286 10 0 BEAERN Cc1[nH]nc2c1ncnc2NCCC(C)C ZINC000041527972 179839813 /nfs/dbraw/zinc/83/98/13/179839813.db2.gz WYSHMZZQNOKGRO-UHFFFAOYSA-N 0 0 219.292 2.119 10 0 BEAERN O=C1CCc2cc(Cn3cccn3)ccc21 ZINC000060295864 349283963 /nfs/dbraw/zinc/28/39/63/349283963.db2.gz ROSPXXXHHOEDDN-UHFFFAOYSA-N 0 0 212.252 2.060 10 0 BEAERN CC(C)[C@H]1C(O)=CC(=O)N1C(=O)OC(C)(C)C ZINC000199756669 349286735 /nfs/dbraw/zinc/28/67/35/349286735.db2.gz SORWTZHXTDKEGO-JTQLQIEISA-N 0 0 241.287 2.230 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ccncn1 ZINC000616583935 349326991 /nfs/dbraw/zinc/32/69/91/349326991.db2.gz DSSNNMXFUHZTHW-CYBMUJFWSA-N 0 0 226.283 2.080 10 0 BEAERN Cc1nc(C(F)(F)F)n2ccncc12 ZINC000089195466 179896714 /nfs/dbraw/zinc/89/67/14/179896714.db2.gz ZJVINEQPZSRAEQ-UHFFFAOYSA-N 0 0 201.151 2.057 10 0 BEAERN COc1cc(OC)cc(-c2ncsc2N)c1 ZINC000050308007 187436030 /nfs/dbraw/zinc/43/60/30/187436030.db2.gz JVQXLLMLRQHAGP-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN CSCC(=O)N1C[C@H](C)c2ccccc21 ZINC000060599134 349324011 /nfs/dbraw/zinc/32/40/11/349324011.db2.gz GNDWKDIPPSNFNL-VIFPVBQESA-N 0 0 221.325 2.500 10 0 BEAERN O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000061707567 349392438 /nfs/dbraw/zinc/39/24/38/349392438.db2.gz CWWZXBDFFSHWBD-SNVBAGLBSA-N 0 0 231.217 2.276 10 0 BEAERN CC(=O)N1C[C@@H](c2cocn2)Nc2ccccc21 ZINC000616585599 349371886 /nfs/dbraw/zinc/37/18/86/349371886.db2.gz WVAYBDKPDBTAHU-NSHDSACASA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)(C)c1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])cc1 ZINC000069272599 191002669 /nfs/dbraw/zinc/00/26/69/191002669.db2.gz AZPUDOGXSXHPQA-QWHCGFSZSA-N 0 0 247.338 2.372 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H]2C[C@H](c3ccccc3)C[N@@H+]2C1 ZINC000725254188 538043744 /nfs/dbraw/zinc/04/37/44/538043744.db2.gz RRBDDUVDLUPNRY-HZSPNIEDSA-N 0 0 245.322 2.339 10 0 BEAERN O=[N+]([O-])c1sccc1NC[C@H]1CCC[C@H]1O ZINC000390777079 350078727 /nfs/dbraw/zinc/07/87/27/350078727.db2.gz GGBDEPYXCAXJMG-VXNVDRBHSA-N 0 0 242.300 2.229 10 0 BEAERN CC[C@@H](C)c1c(N)n(C2CC2)nc1C(=O)OC ZINC000725254415 538047110 /nfs/dbraw/zinc/04/71/10/538047110.db2.gz PDVFLNJQXSTKNT-SSDOTTSWSA-N 0 0 237.303 2.100 10 0 BEAERN CCc1cc(Cl)nc([C@@H]2CCOC2)n1 ZINC000051691305 350049254 /nfs/dbraw/zinc/04/92/54/350049254.db2.gz LALAGZAUHHSUAH-SSDOTTSWSA-N 0 0 212.680 2.196 10 0 BEAERN Cc1nc(COc2cccc(N)c2)oc1C ZINC000038054730 179979510 /nfs/dbraw/zinc/97/95/10/179979510.db2.gz WRKUEOYJCUKUEH-UHFFFAOYSA-N 0 0 218.256 2.453 10 0 BEAERN Cc1nc(NC(=O)OCC(F)(F)F)oc1C ZINC000083259590 180010669 /nfs/dbraw/zinc/01/06/69/180010669.db2.gz XVTVVAWOLRAVPL-UHFFFAOYSA-N 0 0 238.165 2.402 10 0 BEAERN Cc1nc(NC(=O)N[C@@H]2C[C@@H]2C)sc1C ZINC000075958512 180011247 /nfs/dbraw/zinc/01/12/47/180011247.db2.gz KNFOEEUZZPMUET-YLWLKBPMSA-N 0 0 225.317 2.290 10 0 BEAERN C[C@@H]1CC[C@@H](O)[C@@H](OCC(F)(F)F)C1 ZINC000222154108 350127663 /nfs/dbraw/zinc/12/76/63/350127663.db2.gz WEZFJKWJVOOSEZ-PRJMDXOYSA-N 0 0 212.211 2.115 10 0 BEAERN Cc1nc([C@@H](C)NC(=O)c2cccnc2)cs1 ZINC000170524750 180034583 /nfs/dbraw/zinc/03/45/83/180034583.db2.gz YEAWESMONMQAOT-MRVPVSSYSA-N 0 0 247.323 2.338 10 0 BEAERN Cn1ncc2c1[nH]c(C1CCCC1)cc2=O ZINC000725255462 538051953 /nfs/dbraw/zinc/05/19/53/538051953.db2.gz CBWVEBLCUVIUTJ-UHFFFAOYSA-N 0 0 217.272 2.332 10 0 BEAERN Cc1nc([C@@H](C)Nc2ccc(=O)n(C)c2)cs1 ZINC000037785805 180037896 /nfs/dbraw/zinc/03/78/96/180037896.db2.gz LXQXWNQTCCEKEO-MRVPVSSYSA-N 0 0 249.339 2.323 10 0 BEAERN Cc1nc([C@H](C)NCc2cn[nH]c2)cs1 ZINC000038006218 180050473 /nfs/dbraw/zinc/05/04/73/180050473.db2.gz IEDQGBGOLADVPR-ZETCQYMHSA-N 0 0 222.317 2.025 10 0 BEAERN Cc1nc([C@]2(N)CCSc3ccccc32)no1 ZINC000036762509 180060523 /nfs/dbraw/zinc/06/05/23/180060523.db2.gz NJCRSHFKLORJJJ-LBPRGKRZSA-N 0 0 247.323 2.076 10 0 BEAERN Oc1cccn2cc(C(F)(F)F)nc12 ZINC000089201726 191021065 /nfs/dbraw/zinc/02/10/65/191021065.db2.gz XOKHCKQLINAQDY-UHFFFAOYSA-N 0 0 202.135 2.059 10 0 BEAERN Nc1nc(CCCc2ccccc2)co1 ZINC000725255524 538053018 /nfs/dbraw/zinc/05/30/18/538053018.db2.gz DDULTJQSXJCXJP-UHFFFAOYSA-N 0 0 202.257 2.432 10 0 BEAERN CC[C@H](C)c1csc(CN2CCOCC2)n1 ZINC000132509339 191033270 /nfs/dbraw/zinc/03/32/70/191033270.db2.gz LKKUHHDBQCAEBE-JTQLQIEISA-N 0 0 240.372 2.489 10 0 BEAERN Cc1nc2cc(NC(=O)[C@@H]3CCOC3)ccc2o1 ZINC000049353702 180081811 /nfs/dbraw/zinc/08/18/11/180081811.db2.gz GUDOWEAYQZPXJG-SECBINFHSA-N 0 0 246.266 2.111 10 0 BEAERN Cc1nc2cc(NCc3cc[nH]n3)ccc2o1 ZINC000036900206 180084166 /nfs/dbraw/zinc/08/41/66/180084166.db2.gz VMCGPFKVKBNQNV-UHFFFAOYSA-N 0 0 228.255 2.471 10 0 BEAERN CCOC(=O)C(C)=NNc1ccccc1C ZINC000219665782 350136615 /nfs/dbraw/zinc/13/66/15/350136615.db2.gz KKMLCHKAAAMEQO-JLHYYAGUSA-N 0 0 220.272 2.346 10 0 BEAERN CC[C@@H](O)Cc1cccc(OC)c1OC ZINC000058002621 350142458 /nfs/dbraw/zinc/14/24/58/350142458.db2.gz UGYILQMVTVMXHG-SNVBAGLBSA-N 0 0 210.273 2.017 10 0 BEAERN O=C([O-])[C@@H]1Cc2cc(Cl)cc(Cl)c2C[NH2+]1 ZINC000725255690 538053476 /nfs/dbraw/zinc/05/34/76/538053476.db2.gz IUUGAQQWHGRYCU-VIFPVBQESA-N 0 0 246.093 2.092 10 0 BEAERN COCC(=O)C=C(O)C(C(C)C)C(C)C ZINC000725257659 538066025 /nfs/dbraw/zinc/06/60/25/538066025.db2.gz VCFXULKXTQEHKG-UHFFFAOYSA-N 0 0 214.305 2.089 10 0 BEAERN Cc1nc[nH]c1CNc1ccccc1F ZINC000054793824 180122028 /nfs/dbraw/zinc/12/20/28/180122028.db2.gz CFJARUNUTCRNKA-UHFFFAOYSA-N 0 0 205.236 2.469 10 0 BEAERN Cc1nc[nH]c1CNc1cnn(C(C)C)c1 ZINC000061683186 180122100 /nfs/dbraw/zinc/12/21/00/180122100.db2.gz QHJHHPPELZAKIW-UHFFFAOYSA-N 0 0 219.292 2.108 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@@H](C)CC(C)C ZINC000038095103 180163701 /nfs/dbraw/zinc/16/37/01/180163701.db2.gz VTKSSSIDAXTHSD-VIFPVBQESA-N 0 0 235.331 2.137 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000038094894 180164284 /nfs/dbraw/zinc/16/42/84/180164284.db2.gz VRHCMGJVYGSIQV-NXEZZACHSA-N 0 0 247.342 2.375 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000038094863 180164324 /nfs/dbraw/zinc/16/43/24/180164324.db2.gz QIAMPMGRUPECDB-ZANVPECISA-N 0 0 247.342 2.281 10 0 BEAERN Cc1ncc2c(Br)nsc2n1 ZINC000082348166 180175767 /nfs/dbraw/zinc/17/57/67/180175767.db2.gz VQOCCRHSJSHYOA-UHFFFAOYSA-N 0 0 230.090 2.157 10 0 BEAERN Cc1ncccc1-c1c(N)cccc1O ZINC000039117571 180209148 /nfs/dbraw/zinc/20/91/48/180209148.db2.gz UTMHDTYXRKKCKQ-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN Cc1nccc(Oc2ccc(N)c(F)c2)n1 ZINC000054936679 180207613 /nfs/dbraw/zinc/20/76/13/180207613.db2.gz VGXNONUVMCSNQL-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1nccc(Oc2cccc(N)c2)n1 ZINC000054936624 180208270 /nfs/dbraw/zinc/20/82/70/180208270.db2.gz MJRWOXCDVXBPKQ-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1ncc2c(NCCCOC(C)C)nccn12 ZINC000065240145 180176384 /nfs/dbraw/zinc/17/63/84/180176384.db2.gz QISWTGPCIGCVDQ-UHFFFAOYSA-N 0 0 248.330 2.265 10 0 BEAERN CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000007038947 350214515 /nfs/dbraw/zinc/21/45/15/350214515.db2.gz BCWPLFLCRGMYOS-UHFFFAOYSA-N 0 0 219.215 2.445 10 0 BEAERN Cc1cnc(Sc2ccnc(Cl)n2)nc1 ZINC000051850553 350227932 /nfs/dbraw/zinc/22/79/32/350227932.db2.gz IQFIFBDQMWMPGK-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN Cc1nccn1-c1cc(C(C)C)ncn1 ZINC000104301646 180229153 /nfs/dbraw/zinc/22/91/53/180229153.db2.gz NPNOVZSCGVMULG-UHFFFAOYSA-N 0 0 202.261 2.094 10 0 BEAERN Cc1nccn1-c1ncccc1NC(C)C ZINC000037772436 180229887 /nfs/dbraw/zinc/22/98/87/180229887.db2.gz HPTAXUBFEAYPBL-UHFFFAOYSA-N 0 0 216.288 2.396 10 0 BEAERN Cc1nccn1-c1cncc(N[C@@H]2CC2(C)C)n1 ZINC000329138635 180231360 /nfs/dbraw/zinc/23/13/60/180231360.db2.gz IIYQTWGBWNNHFN-SNVBAGLBSA-N 0 0 243.314 2.181 10 0 BEAERN Cc1nccn1-c1cncc(NCC2CCC2)n1 ZINC000328810012 180231473 /nfs/dbraw/zinc/23/14/73/180231473.db2.gz FBYXTMTWWSVTPU-UHFFFAOYSA-N 0 0 243.314 2.183 10 0 BEAERN CC(C)Cc1ncc(C[NH2+]CC(C)(C)O)s1 ZINC000125059781 191080193 /nfs/dbraw/zinc/08/01/93/191080193.db2.gz FZYYQQFKRVJSLD-UHFFFAOYSA-N 0 0 242.388 2.202 10 0 BEAERN O=C(c1ccc2c(n1)CCCC2)N1CC2(CC2)C1 ZINC000334881859 538079409 /nfs/dbraw/zinc/07/94/09/538079409.db2.gz YXSMYECZFJSXIA-UHFFFAOYSA-N 0 0 242.322 2.196 10 0 BEAERN CS(=O)(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000725259049 538078727 /nfs/dbraw/zinc/07/87/27/538078727.db2.gz UPRHLZBLTQUIKO-UHFFFAOYSA-N 0 0 230.716 2.374 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCC[C@H](C)CC2 ZINC000252191279 538085485 /nfs/dbraw/zinc/08/54/85/538085485.db2.gz RRCDZFUMKDFJHC-ZMLRMANQSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)OC12C[C@@H](C)C[C@H](C)C2 ZINC000252204527 538085629 /nfs/dbraw/zinc/08/56/29/538085629.db2.gz WXNDMWQNSVWYEC-QXEWZRGKSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nccn1Cc1ccc(C(N)=S)cc1F ZINC000019513094 180268491 /nfs/dbraw/zinc/26/84/91/180268491.db2.gz KFKBTPJDIRYPSG-UHFFFAOYSA-N 0 0 249.314 2.013 10 0 BEAERN Cc1nccnc1NCC1C[C@H](C)O[C@@H](C)C1 ZINC000290949740 180276137 /nfs/dbraw/zinc/27/61/37/180276137.db2.gz MQKXVPBTKSCUPN-UWVGGRQHSA-N 0 0 235.331 2.401 10 0 BEAERN Cc1nccn1C[C@H]1Cc2ccccc2O1 ZINC000090877597 180270180 /nfs/dbraw/zinc/27/01/80/180270180.db2.gz LVNOAXKQMCELDY-GFCCVEGCSA-N 0 0 214.268 2.195 10 0 BEAERN Nc1cc(F)cc(Sc2nncs2)c1 ZINC000037668160 350286251 /nfs/dbraw/zinc/28/62/51/350286251.db2.gz MNLVYKQBNGBERY-UHFFFAOYSA-N 0 0 227.289 2.411 10 0 BEAERN CC(C)[C@@H]1CCc2[nH]c(=NN)sc2C1 ZINC000054558113 350278575 /nfs/dbraw/zinc/27/85/75/350278575.db2.gz OYQOXUKWSQUXFY-SSDOTTSWSA-N 0 0 211.334 2.190 10 0 BEAERN C[C@H](CO)[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000617857773 350278974 /nfs/dbraw/zinc/27/89/74/350278974.db2.gz PCFPBMXPNXGNAU-POOIEITISA-N 0 0 239.359 2.042 10 0 BEAERN Cc1nc2occ(C(C)(C)C)c2c(N)n1 ZINC000725262051 538087962 /nfs/dbraw/zinc/08/79/62/538087962.db2.gz TVPQJHISMLBXNE-UHFFFAOYSA-N 0 0 205.261 2.411 10 0 BEAERN Cc1ccc(CC(=O)[C@H]2CCCO2)cc1 ZINC000038126986 350307807 /nfs/dbraw/zinc/30/78/07/350307807.db2.gz UZVWLUSQCYVCAN-CYBMUJFWSA-N 0 0 204.269 2.286 10 0 BEAERN COC(=O)[C@@H](C)Nc1ccccc1Cl ZINC000037854897 350288065 /nfs/dbraw/zinc/28/80/65/350288065.db2.gz UYMLSBUJSPCDNE-SSDOTTSWSA-N 0 0 213.664 2.313 10 0 BEAERN Cc1ncn(-c2ccc(C(N)=S)cc2F)c1C ZINC000051927020 180285100 /nfs/dbraw/zinc/28/51/00/180285100.db2.gz SPVGSHMCFUZRTK-UHFFFAOYSA-N 0 0 249.314 2.262 10 0 BEAERN CC[C@](C)(Nc1ccc(Cl)cc1)C(N)=O ZINC000037945277 350292840 /nfs/dbraw/zinc/29/28/40/350292840.db2.gz BXUWNAKOZLZZCR-NSHDSACASA-N 0 0 226.707 2.406 10 0 BEAERN CC[C@@H](Nc1ccccc1Cl)C(N)=O ZINC000037942371 350293004 /nfs/dbraw/zinc/29/30/04/350293004.db2.gz KXWVPTPVCQVVPK-MRVPVSSYSA-N 0 0 212.680 2.016 10 0 BEAERN Cc1ncsc1CCOc1ncccc1N ZINC000019263689 180311362 /nfs/dbraw/zinc/31/13/62/180311362.db2.gz NGMPEKLPRDAASD-UHFFFAOYSA-N 0 0 235.312 2.050 10 0 BEAERN CCCCCc1cc(C(=O)OCC)n[nH]1 ZINC000039409591 350338649 /nfs/dbraw/zinc/33/86/49/350338649.db2.gz PTQROBNHOISTRP-UHFFFAOYSA-N 0 0 210.277 2.319 10 0 BEAERN CC(C)(NC(=O)CC1CC1)c1ccc(N)cc1 ZINC000725264081 538090649 /nfs/dbraw/zinc/09/06/49/538090649.db2.gz BSEAKUWIEYEVBV-UHFFFAOYSA-N 0 0 232.327 2.420 10 0 BEAERN CNC(=O)N1C[C@@H](c2cccs2)C[C@H]1C ZINC000365525198 350330564 /nfs/dbraw/zinc/33/05/64/350330564.db2.gz PGPZDQNVUIJHET-BDAKNGLRSA-N 0 0 224.329 2.265 10 0 BEAERN Cc1ncsc1CCOc1ccc(N)cn1 ZINC000019401179 180310531 /nfs/dbraw/zinc/31/05/31/180310531.db2.gz XVWWTZXOLXVVNU-UHFFFAOYSA-N 0 0 235.312 2.050 10 0 BEAERN CCOC(=O)c1nn(CC)c(N)c1[C@H](C)CC ZINC000725265371 538091406 /nfs/dbraw/zinc/09/14/06/538091406.db2.gz POQLHCPAQOVOPK-MRVPVSSYSA-N 0 0 239.319 2.175 10 0 BEAERN Cc1nn(-c2cccc(F)c2)c(C)c1N ZINC000032010433 180328165 /nfs/dbraw/zinc/32/81/65/180328165.db2.gz PJVQLYYBMGQTKN-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1nn(-c2ccc(F)cc2)c(N)c1C ZINC000045628352 180328370 /nfs/dbraw/zinc/32/83/70/180328370.db2.gz JQZMTBOOPYHSNB-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN CCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000606619421 350393884 /nfs/dbraw/zinc/39/38/84/350393884.db2.gz ZQEOCIALEZXYDW-DCAQKATOSA-N 0 0 210.321 2.369 10 0 BEAERN COC(=O)c1cc(N)c(C(F)(F)F)cc1OC ZINC000014982877 350395459 /nfs/dbraw/zinc/39/54/59/350395459.db2.gz XOLCRYNMTFEAPO-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1nn(C)c(C)c1NCc1ccccn1 ZINC000020135584 180344309 /nfs/dbraw/zinc/34/43/09/180344309.db2.gz ITZISCDIRVGVAL-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN Cc1nn(C)c(C)c1[C@@H](O)c1ccc(F)cc1 ZINC000075871971 180346469 /nfs/dbraw/zinc/34/64/69/180346469.db2.gz LWYZPUZLXDOIKC-ZDUSSCGKSA-N 0 0 234.274 2.258 10 0 BEAERN Cc1nn(C)c(C)c1[C@@H](O)c1ccccc1F ZINC000075872618 180347119 /nfs/dbraw/zinc/34/71/19/180347119.db2.gz FZFBVCHMBYHAOQ-ZDUSSCGKSA-N 0 0 234.274 2.258 10 0 BEAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1CC1 ZINC000105846458 180348790 /nfs/dbraw/zinc/34/87/90/180348790.db2.gz OVOHZAOYZVBMKB-GFCCVEGCSA-N 0 0 247.342 2.110 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H](C)C(C)(C)C)c1N ZINC000042739631 180353110 /nfs/dbraw/zinc/35/31/10/180353110.db2.gz ZJWYADQKRGQANH-VIFPVBQESA-N 0 0 224.352 2.182 10 0 BEAERN N#CNCCc1ccc(Br)s1 ZINC000226247244 350411730 /nfs/dbraw/zinc/41/17/30/350411730.db2.gz MDBYLCFFEJRVLK-UHFFFAOYSA-N 0 0 231.118 2.124 10 0 BEAERN Cc1nn(C)c(Nc2ccccc2F)c1N ZINC000036749192 180359684 /nfs/dbraw/zinc/35/96/84/180359684.db2.gz NXGXJCJKJUVLNC-UHFFFAOYSA-N 0 0 220.251 2.193 10 0 BEAERN Cc1nn(C)c(N[C@H]2CCC[C@H](C)C2)c1N ZINC000036749328 180360607 /nfs/dbraw/zinc/36/06/07/180360607.db2.gz OTVJXEDEMJKOIA-WPRPVWTQSA-N 0 0 222.336 2.301 10 0 BEAERN CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H]1C(=O)[O-] ZINC000251859454 362956650 /nfs/dbraw/zinc/95/66/50/362956650.db2.gz SPUJASWARSQWRJ-GMTAPVOTSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1nn(C)c(N[C@H](C)c2ccco2)c1N ZINC000036749422 180360699 /nfs/dbraw/zinc/36/06/99/180360699.db2.gz UUOMRGJSYZEJPM-SSDOTTSWSA-N 0 0 220.276 2.077 10 0 BEAERN Cc1nn(C)c2c1[C@@H](O)C[C@@H](c1ccccc1)C2 ZINC000072415944 180362009 /nfs/dbraw/zinc/36/20/09/180362009.db2.gz YFCQUNMUPSGZLO-JSGCOSHPSA-N 0 0 242.322 2.492 10 0 BEAERN S=C1N=NC(c2cocn2)N1c1ccccc1 ZINC000725265511 538092659 /nfs/dbraw/zinc/09/26/59/538092659.db2.gz CFZSHRBVZBPAQM-UHFFFAOYSA-N 0 0 244.279 2.211 10 0 BEAERN CC(=O)N[C@@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616592154 350441835 /nfs/dbraw/zinc/44/18/35/350441835.db2.gz IMDULCKTAXNEKE-CYBMUJFWSA-N 0 0 246.354 2.352 10 0 BEAERN O=c1ccccc(-c2ccc(O)cc2)c1O ZINC000034431405 350467998 /nfs/dbraw/zinc/46/79/98/350467998.db2.gz GKAMFKFUGMRODL-UHFFFAOYSA-N 0 0 214.220 2.125 10 0 BEAERN O=c1c(Cl)nccn1C1CCCCC1 ZINC000409423096 350474699 /nfs/dbraw/zinc/47/46/99/350474699.db2.gz OQURDOVWXYYQFN-UHFFFAOYSA-N 0 0 212.680 2.402 10 0 BEAERN Cc1cnc(-c2cc(Cl)nc(C)n2)cn1 ZINC000409427721 350476404 /nfs/dbraw/zinc/47/64/04/350476404.db2.gz BYCZALZZHJEJAT-UHFFFAOYSA-N 0 0 220.663 2.204 10 0 BEAERN O=c1[nH]c(-c2cccc(F)c2)cc(=S)[nH]1 ZINC000409436974 350479548 /nfs/dbraw/zinc/47/95/48/350479548.db2.gz ARROWFYSKHKYKD-UHFFFAOYSA-N 0 0 222.244 2.277 10 0 BEAERN O=Cc1cn(CCF)nc1-c1ccccc1 ZINC000409441421 350482489 /nfs/dbraw/zinc/48/24/89/350482489.db2.gz XSAFKRYBVXJUBX-UHFFFAOYSA-N 0 0 218.231 2.332 10 0 BEAERN Cc1nn([C@H](C)c2ccncc2)c(N)c1Cl ZINC000043667554 180393496 /nfs/dbraw/zinc/39/34/96/180393496.db2.gz DQXLUHTVZWQXNL-MRVPVSSYSA-N 0 0 236.706 2.431 10 0 BEAERN Cc1nnc(-c2cc(N)ccc2Cl)o1 ZINC000020120489 180394636 /nfs/dbraw/zinc/39/46/36/180394636.db2.gz YLDBPFQXDCLPRR-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN Cc1nnc(-c2coc3ccccc3c2=O)o1 ZINC000005669858 180396535 /nfs/dbraw/zinc/39/65/35/180396535.db2.gz UKLKBYTVYSXRQQ-UHFFFAOYSA-N 0 0 228.207 2.151 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(O)cc1O ZINC000227616682 350503907 /nfs/dbraw/zinc/50/39/07/350503907.db2.gz WXCZMVVQMIBRCA-KCJUWKMLSA-N 0 0 235.283 2.016 10 0 BEAERN C[C@H](c1n[nH]nc1C(=O)OC(C)(C)C)C1CC1 ZINC000725266419 538094961 /nfs/dbraw/zinc/09/49/61/538094961.db2.gz VWEKFLCMKIRKOT-ZETCQYMHSA-N 0 0 237.303 2.274 10 0 BEAERN CC[C@H]1SCCS[C@@H]1C(=N)OC ZINC000228173820 350532081 /nfs/dbraw/zinc/53/20/81/350532081.db2.gz WBEYZNYVBNRVRC-RQJHMYQMSA-N 0 0 205.348 2.237 10 0 BEAERN CNc1nc([C@@H]2SCCS[C@H]2C)ns1 ZINC000228193851 350532973 /nfs/dbraw/zinc/53/29/73/350532973.db2.gz LGTHDQULTDTLCZ-NTSWFWBYSA-N 0 0 247.414 2.489 10 0 BEAERN Cn1cnnc1Cc1cccc(Cl)c1 ZINC000228236627 350534690 /nfs/dbraw/zinc/53/46/90/350534690.db2.gz GOIZEMUPFAUPPX-UHFFFAOYSA-N 0 0 207.664 2.059 10 0 BEAERN CC(C)N1c2ccccc2CC[C@H]1CO ZINC000616593167 350519645 /nfs/dbraw/zinc/51/96/45/350519645.db2.gz KZBRFQSJIXYKGE-LBPRGKRZSA-N 0 0 205.301 2.209 10 0 BEAERN CC(C)(C)Oc1nc(Cl)ccc1N ZINC000228449472 350542669 /nfs/dbraw/zinc/54/26/69/350542669.db2.gz PNDBMUGUYMIRAN-UHFFFAOYSA-N 0 0 200.669 2.495 10 0 BEAERN Cc1ccc(C(=O)CSCCO)cc1C ZINC000037352880 362966896 /nfs/dbraw/zinc/96/68/96/362966896.db2.gz MVTVPJQKKVZJBW-UHFFFAOYSA-N 0 0 224.325 2.212 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000128271850 490611599 /nfs/dbraw/zinc/61/15/99/490611599.db2.gz PMTZJYAHLOKUHZ-APPZFPTMSA-N 0 0 217.259 2.337 10 0 BEAERN CC[N@@H+]1CCO[C@@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616595149 350603187 /nfs/dbraw/zinc/60/31/87/350603187.db2.gz UHHXDRHTQCQSEG-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CC(C)(C)[C@@H](NN)c1ccc(Cl)nc1 ZINC000229621669 350581757 /nfs/dbraw/zinc/58/17/57/350581757.db2.gz ZJJQIHDTXRYAGS-VIFPVBQESA-N 0 0 213.712 2.286 10 0 BEAERN CC(=O)OCc1c2ncn(C(C)=O)c2ccc1C ZINC000089194987 187454080 /nfs/dbraw/zinc/45/40/80/187454080.db2.gz WPWHXSWPJCPQNT-UHFFFAOYSA-N 0 0 246.266 2.068 10 0 BEAERN Brc1nsc(-c2cccnc2)n1 ZINC000230108499 350595378 /nfs/dbraw/zinc/59/53/78/350595378.db2.gz XMFCWJBBKUSUBU-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Cc1ccc(C(=O)Cc2cnn(C)c2)s1 ZINC000167910579 350673557 /nfs/dbraw/zinc/67/35/57/350673557.db2.gz TUQHFHVTBFXANA-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN ClC12C[C@@H]3C[C@H](C1)CC(c1nn[nH]n1)(C3)C2 ZINC000095123213 350655465 /nfs/dbraw/zinc/65/54/65/350655465.db2.gz GSHYBUGROJTTSD-JZVMUCMXSA-N 0 0 238.722 2.029 10 0 BEAERN CCC1C(C)=NC(=O)N[C@@H]1c1ccc[nH]1 ZINC000045806115 187463155 /nfs/dbraw/zinc/46/31/55/187463155.db2.gz RXKPWCCTVAWPOT-JTQLQIEISA-N 0 0 205.261 2.053 10 0 BEAERN COc1ccc2nc([C@@H]3CCOC3)c(O)cc2c1 ZINC000725267410 538098464 /nfs/dbraw/zinc/09/84/64/538098464.db2.gz DOHNCTULJJBYTE-SECBINFHSA-N 0 0 245.278 2.453 10 0 BEAERN CCC[C@@H](N[C@@H](C)C(C)C)C(=O)OCC ZINC000096593307 350678715 /nfs/dbraw/zinc/67/87/15/350678715.db2.gz RHQVJASGVIDHAI-WDEREUQCSA-N 0 0 215.337 2.352 10 0 BEAERN CCC[C@H](N[C@@H](C)C(C)C)C(=O)OCC ZINC000096593306 350678762 /nfs/dbraw/zinc/67/87/62/350678762.db2.gz RHQVJASGVIDHAI-QWRGUYRKSA-N 0 0 215.337 2.352 10 0 BEAERN C/C=C/C[C@H](CO)Nc1nnc(CCC)s1 ZINC000302291253 191119832 /nfs/dbraw/zinc/11/98/32/191119832.db2.gz WTDAGKAWWUWCBQ-HYYFJVDXSA-N 0 0 241.360 2.230 10 0 BEAERN CNc1cccc([C@H]2COCCC[N@@H+]2C)c1 ZINC000616599761 350757438 /nfs/dbraw/zinc/75/74/38/350757438.db2.gz OSGCVOXGFJYMNT-CYBMUJFWSA-N 0 0 220.316 2.122 10 0 BEAERN O=Cc1cccc(Cl)c1-n1cccn1 ZINC000236030591 350728812 /nfs/dbraw/zinc/72/88/12/350728812.db2.gz HOSOLMRHAWETDC-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN Cc1csc([C@@H](O)Cc2nccs2)n1 ZINC000159491915 350763463 /nfs/dbraw/zinc/76/34/63/350763463.db2.gz XKXUZJZCJBFBSG-ZETCQYMHSA-N 0 0 226.326 2.184 10 0 BEAERN O[C@H]1CCCc2c(F)cc(F)c(F)c21 ZINC000236551296 350738686 /nfs/dbraw/zinc/73/86/86/350738686.db2.gz NTDAIHPMLLHMLP-QMMMGPOBSA-N 0 0 202.175 2.474 10 0 BEAERN CC[N@@H+]1CCOCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616599252 350739536 /nfs/dbraw/zinc/73/95/36/350739536.db2.gz XMVWRLFSBHESQH-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CO[C@H](C)c1nc2c(ncnc2Cl)s1 ZINC000306673693 350818804 /nfs/dbraw/zinc/81/88/04/350818804.db2.gz OGRJYLPHSQVOPW-SCSAIBSYSA-N 0 0 229.692 2.447 10 0 BEAERN NC(=O)N1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616600770 350780315 /nfs/dbraw/zinc/78/03/15/350780315.db2.gz DBOIWNGTJAIFRF-NSHDSACASA-N 0 0 236.290 2.474 10 0 BEAERN CC(=O)N1CCC[C@H](c2ccncc2)CC1 ZINC000616602245 350790884 /nfs/dbraw/zinc/79/08/84/350790884.db2.gz ZBMUFDCACQZNCQ-LBPRGKRZSA-N 0 0 218.300 2.198 10 0 BEAERN CCN1CCO[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616602419 350791788 /nfs/dbraw/zinc/79/17/88/350791788.db2.gz JUSKAPYIWCRSHO-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CC(C)(C)C[C@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000725267916 538099331 /nfs/dbraw/zinc/09/93/31/538099331.db2.gz BYYSOWRDOIFWTN-CHWSQXEVSA-N 0 0 234.343 2.403 10 0 BEAERN c1n[nH]nc1[C@H]1CCCN1Cc1ccccc1 ZINC000616607308 350799984 /nfs/dbraw/zinc/79/99/84/350799984.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 0 0 228.299 2.142 10 0 BEAERN NC(=O)N1CCC[C@H]1c1nccc2ccccc21 ZINC000616610515 350806464 /nfs/dbraw/zinc/80/64/64/350806464.db2.gz RWIZBQSWQKUQBR-LBPRGKRZSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cccc2ccncc21 ZINC000616610896 350806781 /nfs/dbraw/zinc/80/67/81/350806781.db2.gz ZBQLTVJEKBUXPP-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000616611628 350810105 /nfs/dbraw/zinc/81/01/05/350810105.db2.gz QDNVJXGJZAJLAF-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Oc1cccnc1F ZINC000306678778 350833573 /nfs/dbraw/zinc/83/35/73/350833573.db2.gz HEKMHYAFTYJGPQ-BDAKNGLRSA-N 0 0 211.236 2.167 10 0 BEAERN Cc1cc(C(=O)c2csc(C)n2)sn1 ZINC000306679793 350834396 /nfs/dbraw/zinc/83/43/96/350834396.db2.gz ITVRRSVFULZTLY-UHFFFAOYSA-N 0 0 224.310 2.447 10 0 BEAERN Nc1cnc(NC[C@H]2CCCSC2)s1 ZINC000306680061 350834813 /nfs/dbraw/zinc/83/48/13/350834813.db2.gz JNOIYBAVQQFMQG-SSDOTTSWSA-N 0 0 229.374 2.280 10 0 BEAERN COc1cccc2cc(NN)c(C(F)F)nc21 ZINC000725268071 538099589 /nfs/dbraw/zinc/09/95/89/538099589.db2.gz IIXQGNXDJRHKRP-UHFFFAOYSA-N 0 0 239.225 2.467 10 0 BEAERN Cc1ccc(-c2ncc(N)c(C)n2)s1 ZINC000306682890 350839394 /nfs/dbraw/zinc/83/93/94/350839394.db2.gz SXJDTXOUAZVDCI-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1cc(C(=O)C2CCOCC2)sn1 ZINC000306684086 350841365 /nfs/dbraw/zinc/84/13/65/350841365.db2.gz YQQOWYWTBQZINA-UHFFFAOYSA-N 0 0 211.286 2.061 10 0 BEAERN CCc1ccc(N)cc1N=S(C)(C)=O ZINC000306684405 350841929 /nfs/dbraw/zinc/84/19/29/350841929.db2.gz ZWVYQKNHKZWFLE-UHFFFAOYSA-N 0 0 212.318 2.190 10 0 BEAERN Cc1nsc(N[C@H](C)c2ncc(C)o2)n1 ZINC000226547243 180523433 /nfs/dbraw/zinc/52/34/33/180523433.db2.gz LDKIEQFGUGXBOT-ZCFIWIBFSA-N 0 0 224.289 2.316 10 0 BEAERN CC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1 ZINC000223792627 538099642 /nfs/dbraw/zinc/09/96/42/538099642.db2.gz AIECVJQQNDEFFT-UHFFFAOYSA-N 0 0 227.304 2.365 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ccon1 ZINC000616615047 350844939 /nfs/dbraw/zinc/84/49/39/350844939.db2.gz AJWSHUGPVIHLMB-JTQLQIEISA-N 0 0 224.260 2.358 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1ccccc1CO ZINC000616615523 350847942 /nfs/dbraw/zinc/84/79/42/350847942.db2.gz ABHXCQSKZHHTNV-AWEZNQCLSA-N 0 0 233.311 2.252 10 0 BEAERN CC[C@H](F)Cn1ccc(=O)cc1Cl ZINC000306700578 350849705 /nfs/dbraw/zinc/84/97/05/350849705.db2.gz FWCQYMMZHVSLFU-ZETCQYMHSA-N 0 0 203.644 2.250 10 0 BEAERN CC[S@@](C)(=O)=Nc1ccc(C)c(N)c1 ZINC000306709025 350855801 /nfs/dbraw/zinc/85/58/01/350855801.db2.gz OSCIYRKSAUQWQC-CQSZACIVSA-N 0 0 212.318 2.326 10 0 BEAERN COC(=O)N1CCCC[C@H]1c1cccc(CO)c1 ZINC000616616933 350857576 /nfs/dbraw/zinc/85/75/76/350857576.db2.gz ZTNKGUMTXXEFOQ-ZDUSSCGKSA-N 0 0 249.310 2.472 10 0 BEAERN CC[S@](C)(=O)=Nc1ccc(F)cc1N ZINC000306710116 350860027 /nfs/dbraw/zinc/86/00/27/350860027.db2.gz QJWAQJQXQQSXRS-AWEZNQCLSA-N 0 0 216.281 2.157 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000616617342 350864039 /nfs/dbraw/zinc/86/40/39/350864039.db2.gz RVOHAIWYPXCPAH-LLVKDONJSA-N 0 0 234.299 2.418 10 0 BEAERN Cc1nsc(CC(=O)c2ccccc2)n1 ZINC000083649579 180517064 /nfs/dbraw/zinc/51/70/64/180517064.db2.gz XHLVMRKZTBIILV-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN Cc1cccc(CC(=O)c2cn[nH]c2)c1 ZINC000306733634 350903462 /nfs/dbraw/zinc/90/34/62/350903462.db2.gz TWKGAMYKOZKLDW-UHFFFAOYSA-N 0 0 200.241 2.144 10 0 BEAERN COc1ccncc1C(=O)[C@@H]1CC1(C)C ZINC000306734816 350904146 /nfs/dbraw/zinc/90/41/46/350904146.db2.gz VGZSIUCBJMWEGZ-VIFPVBQESA-N 0 0 205.257 2.319 10 0 BEAERN CC(C)(F)C(=O)c1c[nH]c2ncccc12 ZINC000306734335 350904977 /nfs/dbraw/zinc/90/49/77/350904977.db2.gz UTGRJXWOQFFZBG-UHFFFAOYSA-N 0 0 206.220 2.494 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000252172447 350909598 /nfs/dbraw/zinc/90/95/98/350909598.db2.gz RKMVPFVFWBQOCA-VQVTYTSYSA-N 0 0 209.211 2.100 10 0 BEAERN CC(C)[C@H](O)[C@H]1SCCS[C@H]1C ZINC000252725314 350914583 /nfs/dbraw/zinc/91/45/83/350914583.db2.gz ZXBJLYOYIIDSDN-CIUDSAMLSA-N 0 0 206.376 2.240 10 0 BEAERN O=C(c1cncc(F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253197247 350919814 /nfs/dbraw/zinc/91/98/14/350919814.db2.gz UNQZJGULFCPSDZ-URLYPYJESA-N 0 0 205.232 2.450 10 0 BEAERN OCc1ccc(S[C@H]2CCOC2)cc1 ZINC000159598025 350920944 /nfs/dbraw/zinc/92/09/44/350920944.db2.gz HKIHUHGUVOLYIU-NSHDSACASA-N 0 0 210.298 2.060 10 0 BEAERN COc1ccc2c(c1)N[C@H](C1CCC1)[C@@H](O)C2 ZINC000725268019 538099682 /nfs/dbraw/zinc/09/96/82/538099682.db2.gz FPJJUJCQGCKBBJ-UONOGXRCSA-N 0 0 233.311 2.193 10 0 BEAERN COc1cc(F)cc(C(F)(F)F)c1N ZINC000306718987 350877675 /nfs/dbraw/zinc/87/76/75/350877675.db2.gz JKDHFJZKSMSIAY-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN O=Cc1cncc(Cl)c1OC(F)F ZINC000306719306 350880300 /nfs/dbraw/zinc/88/03/00/350880300.db2.gz KNHGZWSINVFLLX-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN C[N@H+](C1CCCC1)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000250432643 350881234 /nfs/dbraw/zinc/88/12/34/350881234.db2.gz RKPWSNFVXQVJNK-GHMZBOCLSA-N 0 0 211.305 2.114 10 0 BEAERN O[C@@]1(Cc2sccc2Cl)CCCOC1 ZINC000306721212 350888694 /nfs/dbraw/zinc/88/86/94/350888694.db2.gz DJUVQDATCZIONE-SNVBAGLBSA-N 0 0 232.732 2.486 10 0 BEAERN O=C(c1ccc(Cl)cc1Cl)N1CC1 ZINC000306721707 350888785 /nfs/dbraw/zinc/88/87/85/350888785.db2.gz FEOINCAWEYPHKS-UHFFFAOYSA-N 0 0 216.067 2.449 10 0 BEAERN OCc1c(F)ccc(F)c1OC(F)F ZINC000306752703 350964506 /nfs/dbraw/zinc/96/45/06/350964506.db2.gz OGBHFCYYKNRMTQ-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN CC(=O)c1cnc(C[C@@H]2CCCCO2)s1 ZINC000129046213 350964842 /nfs/dbraw/zinc/96/48/42/350964842.db2.gz FRQKCIGDHOOQPC-VIFPVBQESA-N 0 0 225.313 2.457 10 0 BEAERN C[C@H]1CC[C@]12C(N)=NC(=O)N2Cc1ccccc1 ZINC000306756316 350969664 /nfs/dbraw/zinc/96/96/64/350969664.db2.gz QAJSHYIVFOYNEL-IINYFYTJSA-N 0 0 243.310 2.148 10 0 BEAERN Cc1cc(Sc2cccc(F)n2)n(C)n1 ZINC000052310330 350979422 /nfs/dbraw/zinc/97/94/22/350979422.db2.gz NOUDORJUIRYVEB-UHFFFAOYSA-N 0 0 223.276 2.414 10 0 BEAERN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CS1 ZINC000397842634 350982335 /nfs/dbraw/zinc/98/23/35/350982335.db2.gz RDKJVPHMSONPGK-NZFPMDFQSA-N 0 0 225.357 2.043 10 0 BEAERN CCCC(=O)Nc1onc(C)c1Cl ZINC000306762100 350988241 /nfs/dbraw/zinc/98/82/41/350988241.db2.gz SMDLDCLGJSLAOC-UHFFFAOYSA-N 0 0 202.641 2.375 10 0 BEAERN Nc1cc(O)c(OC(F)(F)F)cc1F ZINC000306763905 350994924 /nfs/dbraw/zinc/99/49/24/350994924.db2.gz GQWGLDGCVMIYBG-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN Brc1cnccc1NC1CC1 ZINC000159807646 351003500 /nfs/dbraw/zinc/00/35/00/351003500.db2.gz JRWCPBJMIQUVGU-UHFFFAOYSA-N 0 0 213.078 2.418 10 0 BEAERN c1n[nH]nc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000616620458 350943778 /nfs/dbraw/zinc/94/37/78/350943778.db2.gz AIOPNABIXRYZCL-UHFFFAOYSA-N 0 0 242.326 2.184 10 0 BEAERN Cc1csc([C@H]2NC[C@@H](C)CS2)n1 ZINC000159622255 350955801 /nfs/dbraw/zinc/95/58/01/350955801.db2.gz VMIMEBGSCXAOSD-SVRRBLITSA-N 0 0 214.359 2.423 10 0 BEAERN Cc1cc(I)ncc1F ZINC000306775239 351015974 /nfs/dbraw/zinc/01/59/74/351015974.db2.gz LGNNZJKCCCWUPM-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN CN(C)c1ccc2nc(Cl)[nH]c(=O)c2c1 ZINC000129286897 351023498 /nfs/dbraw/zinc/02/34/98/351023498.db2.gz QIGKMJOGKYGLMO-UHFFFAOYSA-N 0 0 223.663 2.055 10 0 BEAERN CC(C)CSCc1nnnn1C(C)C ZINC000109196796 191129201 /nfs/dbraw/zinc/12/92/01/191129201.db2.gz IUANTMRFOIJPOO-UHFFFAOYSA-N 0 0 214.338 2.143 10 0 BEAERN Cc1cnn(Cc2nc(Cl)cc(Cl)n2)c1 ZINC000306786049 351033917 /nfs/dbraw/zinc/03/39/17/351033917.db2.gz OSOYTPBWKNKVJT-UHFFFAOYSA-N 0 0 243.097 2.337 10 0 BEAERN O=C1C[C@H](c2cccc(Br)c2)CO1 ZINC000258405639 351066162 /nfs/dbraw/zinc/06/61/62/351066162.db2.gz ZYSYCPNKFSEMRO-QMMMGPOBSA-N 0 0 241.084 2.480 10 0 BEAERN CC1(C)CCC[C@H]1CN1CN=NC1=S ZINC000306792682 351041340 /nfs/dbraw/zinc/04/13/40/351041340.db2.gz BDQHZELNIXDULI-QMMMGPOBSA-N 0 0 211.334 2.393 10 0 BEAERN CCc1nnc(N[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC000306790848 351041861 /nfs/dbraw/zinc/04/18/61/351041861.db2.gz WIQGZBLTTRVPGH-XLPZGREQSA-N 0 0 209.318 2.311 10 0 BEAERN CC(C)[S@@](=O)Nc1ccc(O)cc1F ZINC000306796010 351048413 /nfs/dbraw/zinc/04/84/13/351048413.db2.gz HGSDRQRBLRUEMK-CQSZACIVSA-N 0 0 217.265 2.015 10 0 BEAERN Cn1cc(N)c(Sc2cccs2)n1 ZINC000231666487 351053007 /nfs/dbraw/zinc/05/30/07/351053007.db2.gz WXUKAJDKXIGZKU-UHFFFAOYSA-N 0 0 211.315 2.215 10 0 BEAERN C[C@@H]1CC[C@@H](N[S@@](=O)C2CCCC2)C1 ZINC000306806297 351056119 /nfs/dbraw/zinc/05/61/19/351056119.db2.gz JGCFUDNAAFFLKC-RULNRJAQSA-N 0 0 215.362 2.371 10 0 BEAERN CC[S@@](=O)Nc1ccc(Cl)c(O)c1 ZINC000306807213 351059560 /nfs/dbraw/zinc/05/95/60/351059560.db2.gz LOORPNRVRYNAOM-CYBMUJFWSA-N 0 0 219.693 2.141 10 0 BEAERN Cc1sc(C(=O)NCC(C)C)cc1N ZINC000040292294 180557172 /nfs/dbraw/zinc/55/71/72/180557172.db2.gz XUCSNLJWUIYSKD-UHFFFAOYSA-N 0 0 212.318 2.025 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cncnc2)CC1 ZINC000616629505 351100798 /nfs/dbraw/zinc/10/07/98/351100798.db2.gz XOBDJNGPLVLPTE-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cocn2)CC1 ZINC000616630146 351101677 /nfs/dbraw/zinc/10/16/77/351101677.db2.gz XFSVWGOTIORONW-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN C[C@H]1NC(=O)Oc2cn(CCC(C)(C)C)nc21 ZINC000725268186 538100032 /nfs/dbraw/zinc/10/00/32/538100032.db2.gz KCUUEEDPEDYVRJ-MRVPVSSYSA-N 0 0 237.303 2.482 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2c[nH]cn2)C1 ZINC000616630407 351102416 /nfs/dbraw/zinc/10/24/16/351102416.db2.gz XIYNRXFYCLSGNY-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN CNc1cccc([C@@H]2CCCN(C(N)=O)CC2)c1 ZINC000616630313 351102927 /nfs/dbraw/zinc/10/29/27/351102927.db2.gz VCWLYGYVGLQSDL-LLVKDONJSA-N 0 0 247.342 2.377 10 0 BEAERN O=C([O-])c1ccc([C@H]2CCC[NH2+]CC2)cc1 ZINC000616630497 351103342 /nfs/dbraw/zinc/10/33/42/351103342.db2.gz ZOEZNAKMDXNBPE-JTQLQIEISA-N 0 0 219.284 2.242 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccccn2)CC1 ZINC000616630980 351104322 /nfs/dbraw/zinc/10/43/22/351104322.db2.gz OCMPRSTXZDADRU-LLVKDONJSA-N 0 0 234.299 2.418 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccno2)CC1 ZINC000616631487 351105146 /nfs/dbraw/zinc/10/51/46/351105146.db2.gz WYZUBABAHSRDHL-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN Cc1ccc2nc([C@@H]3CCOC3)c(NN)cc2c1 ZINC000725268334 538100048 /nfs/dbraw/zinc/10/00/48/538100048.db2.gz MOKRFPHBBZGIET-SNVBAGLBSA-N 0 0 243.310 2.333 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccon2)CC1 ZINC000616626803 351106762 /nfs/dbraw/zinc/10/67/62/351106762.db2.gz FAMIPGOAOSGWHV-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CC(=O)N1CCC[C@@H]1c1cccc2nnccc21 ZINC000616632164 351110956 /nfs/dbraw/zinc/11/09/56/351110956.db2.gz ISFVYTXCUYMUBB-CQSZACIVSA-N 0 0 241.294 2.313 10 0 BEAERN Cc1ccc(F)c2c(=O)n(C)c(Cl)nc12 ZINC000129317539 351123147 /nfs/dbraw/zinc/12/31/47/351123147.db2.gz FMOGUPVEKAQQQT-UHFFFAOYSA-N 0 0 226.638 2.034 10 0 BEAERN OC1(c2cccc(Cl)c2)CCOCC1 ZINC000063076879 351071775 /nfs/dbraw/zinc/07/17/75/351071775.db2.gz IXYCFJBRBWRZDT-UHFFFAOYSA-N 0 0 212.676 2.338 10 0 BEAERN Cc1cocc1[C@@H](O)[C@@H]1CSCCS1 ZINC000306811165 351077820 /nfs/dbraw/zinc/07/78/20/351077820.db2.gz WDDIIIYYJDJHIL-VHSXEESVSA-N 0 0 230.354 2.470 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)CC[C@@H]1CCCO1 ZINC000306815739 351083996 /nfs/dbraw/zinc/08/39/96/351083996.db2.gz DBGJQIYACCUKLK-VWYCJHECSA-N 0 0 216.346 2.060 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ncc[nH]1 ZINC000616622713 351085000 /nfs/dbraw/zinc/08/50/00/351085000.db2.gz OKKJEYOOLNRERY-SECBINFHSA-N 0 0 223.276 2.093 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1cccc(N)n1 ZINC000616622663 351085166 /nfs/dbraw/zinc/08/51/66/351085166.db2.gz GHMGHEKGHJJKHH-LBPRGKRZSA-N 0 0 233.315 2.127 10 0 BEAERN Cc1cnc([C@H]2NCCCS2)s1 ZINC000306817751 351086714 /nfs/dbraw/zinc/08/67/14/351086714.db2.gz DSSGXXCGOUMVMO-ZETCQYMHSA-N 0 0 200.332 2.177 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cc[nH]n1 ZINC000616623097 351088284 /nfs/dbraw/zinc/08/82/84/351088284.db2.gz VOFRGGHIMLXITO-SNVBAGLBSA-N 0 0 223.276 2.093 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1cccc(N)n1 ZINC000616623493 351089498 /nfs/dbraw/zinc/08/94/98/351089498.db2.gz GHMGHEKGHJJKHH-GFCCVEGCSA-N 0 0 233.315 2.127 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1ccccn1 ZINC000616624432 351091687 /nfs/dbraw/zinc/09/16/87/351091687.db2.gz HANMIODMEQUOIJ-LLVKDONJSA-N 0 0 219.288 2.077 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1c1cnno1 ZINC000616624382 351092172 /nfs/dbraw/zinc/09/21/72/351092172.db2.gz ZMVWXXQBAPPMKR-SECBINFHSA-N 0 0 239.275 2.143 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1ccc(CO)cc1 ZINC000616625011 351092547 /nfs/dbraw/zinc/09/25/47/351092547.db2.gz UWECERSFHBVBDA-CYBMUJFWSA-N 0 0 248.326 2.175 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ncccn2)CC1 ZINC000616627614 351095468 /nfs/dbraw/zinc/09/54/68/351095468.db2.gz ITRSWJNDQKDKQL-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN COc1cccc([C@@H]2CCCCN(C(N)=O)C2)c1 ZINC000616628452 351098310 /nfs/dbraw/zinc/09/83/10/351098310.db2.gz LNXZFWDYXQKVIB-GFCCVEGCSA-N 0 0 248.326 2.343 10 0 BEAERN O=C([O-])c1ccccc1[C@H]1CCCC[NH2+]C1 ZINC000616629342 351100030 /nfs/dbraw/zinc/10/00/30/351100030.db2.gz ICLKZXVPIUOULF-JTQLQIEISA-N 0 0 219.284 2.242 10 0 BEAERN COc1cccc([C@@H]2CCCN(C(N)=O)CC2)c1 ZINC000616629212 351100083 /nfs/dbraw/zinc/10/00/83/351100083.db2.gz REHKKPBZSZONLT-LLVKDONJSA-N 0 0 248.326 2.343 10 0 BEAERN CC(=O)N1CCOC[C@@H]1c1ccccc1Cl ZINC000616640226 351145450 /nfs/dbraw/zinc/14/54/50/351145450.db2.gz UTEFHWZFXSSBIZ-GFCCVEGCSA-N 0 0 239.702 2.260 10 0 BEAERN Brc1cnccc1-n1cccn1 ZINC000159968170 351146874 /nfs/dbraw/zinc/14/68/74/351146874.db2.gz DLTXVEALMBPMJA-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN CN1CCOC[C@H]1c1nccc2ccccc21 ZINC000616641217 351148082 /nfs/dbraw/zinc/14/80/82/351148082.db2.gz FSDYGWGDNJOGMQ-ZDUSSCGKSA-N 0 0 228.295 2.238 10 0 BEAERN CCN1CCOC[C@H]1c1cccc2ccnnc21 ZINC000616641520 351148335 /nfs/dbraw/zinc/14/83/35/351148335.db2.gz HKYDIQDIVZSMID-ZDUSSCGKSA-N 0 0 243.310 2.023 10 0 BEAERN FC[C@H](c1ccsc1)N1CCOCC1 ZINC000306839828 351148508 /nfs/dbraw/zinc/14/85/08/351148508.db2.gz ZPMFTLXNNXSYDC-SNVBAGLBSA-N 0 0 215.293 2.091 10 0 BEAERN CN1CCO[C@H](c2cccc3ncccc32)C1 ZINC000616643587 351156812 /nfs/dbraw/zinc/15/68/12/351156812.db2.gz UMSBZHLOYYVPGE-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CCCc1nc2cc(OC)ccc2cc1NN ZINC000725268364 538100078 /nfs/dbraw/zinc/10/00/78/538100078.db2.gz NVYZEWWZBAFXKC-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN c1ncc([C@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000616644004 351159994 /nfs/dbraw/zinc/15/99/94/351159994.db2.gz AJDAZHURXLVEMT-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](n2ccnc2)C1 ZINC000616655399 351193035 /nfs/dbraw/zinc/19/30/35/351193035.db2.gz VXVUZFVZNSZOLC-LLVKDONJSA-N 0 0 237.303 2.067 10 0 BEAERN CCN1CCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616644562 351161552 /nfs/dbraw/zinc/16/15/52/351161552.db2.gz FPQKDCHWUAYVRX-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN CC(C)(C)N1CCO[C@@H](c2ccccn2)C1 ZINC000616644854 351165801 /nfs/dbraw/zinc/16/58/01/351165801.db2.gz KINODYJYMRLPJG-GFCCVEGCSA-N 0 0 220.316 2.253 10 0 BEAERN c1cc([C@H]2CN(Cc3ccccc3)CCO2)on1 ZINC000616645063 351166713 /nfs/dbraw/zinc/16/67/13/351166713.db2.gz WGPNPWUJPNSHDC-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN CC(C)(C)N1CCCOC[C@@H]1c1ncccn1 ZINC000616645885 351169725 /nfs/dbraw/zinc/16/97/25/351169725.db2.gz LSGOJYCUUKMOSJ-LLVKDONJSA-N 0 0 235.331 2.039 10 0 BEAERN CCN1CCO[C@H](c2cnnc3ccccc32)C1 ZINC000616646642 351171256 /nfs/dbraw/zinc/17/12/56/351171256.db2.gz KODCMXPTPSCRMX-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CCN1CCO[C@H](c2cccc3nnccc32)C1 ZINC000616646650 351172503 /nfs/dbraw/zinc/17/25/03/351172503.db2.gz KRXQRZVOKSTQFF-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CC[N@@H+]1CCCOC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616650185 351173414 /nfs/dbraw/zinc/17/34/14/351173414.db2.gz ZKOIYWNKCVQYOQ-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN Cc1nc(-c2ncc(C)cc2N)cs1 ZINC000306856104 351176759 /nfs/dbraw/zinc/17/67/59/351176759.db2.gz WSOUIQZGRVFQAT-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC(C)(C)[C@H](O)CNc1nnc(C2CC2)s1 ZINC000301719125 187474555 /nfs/dbraw/zinc/47/45/55/187474555.db2.gz IMRZCJHTJLTDGJ-MRVPVSSYSA-N 0 0 241.360 2.234 10 0 BEAERN COc1cccc([C@H]2C[N@H+](C)CCCO2)c1 ZINC000616651170 351181554 /nfs/dbraw/zinc/18/15/54/351181554.db2.gz AAOAICJUNNCNKR-CYBMUJFWSA-N 0 0 221.300 2.088 10 0 BEAERN O[C@@H](Cc1cncs1)[C@@H]1CCCSC1 ZINC000306820936 351127449 /nfs/dbraw/zinc/12/74/49/351127449.db2.gz JREJORLEYSTVIW-SCZZXKLOSA-N 0 0 229.370 2.190 10 0 BEAERN CCc1c[nH]nc1NC(=O)OC(C)(C)C ZINC000129326722 351128295 /nfs/dbraw/zinc/12/82/95/351128295.db2.gz PAJSSFAVGIRSBO-UHFFFAOYSA-N 0 0 211.265 2.319 10 0 BEAERN CC(C)(C)C(=O)Cn1ccc(Cl)n1 ZINC000306822650 351128922 /nfs/dbraw/zinc/12/89/22/351128922.db2.gz NPPZNRDVXHOSSP-UHFFFAOYSA-N 0 0 200.669 2.152 10 0 BEAERN CC(C)(C)CCN1C(=O)CSC1=O ZINC000306824435 351131592 /nfs/dbraw/zinc/13/15/92/351131592.db2.gz UBPLVCMXGOWXHG-UHFFFAOYSA-N 0 0 201.291 2.118 10 0 BEAERN CC1(C)CCSC[C@@]1(O)c1ccc[nH]1 ZINC000306824754 351133025 /nfs/dbraw/zinc/13/30/25/351133025.db2.gz VCJAISINXWRXMU-LLVKDONJSA-N 0 0 211.330 2.365 10 0 BEAERN CN1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000616637549 351134151 /nfs/dbraw/zinc/13/41/51/351134151.db2.gz NOKGROJQGLUIED-LLVKDONJSA-N 0 0 211.692 2.343 10 0 BEAERN c1ccc2c(c1)C[C@@H](c1ccncn1)CN2 ZINC000616669427 351228811 /nfs/dbraw/zinc/22/88/11/351228811.db2.gz HVJQJWGQJGYHIG-LLVKDONJSA-N 0 0 211.268 2.228 10 0 BEAERN CN1C[C@H](c2cn[nH]c2)Cc2ccccc21 ZINC000616669876 351229331 /nfs/dbraw/zinc/22/93/31/351229331.db2.gz JHPFQWYARQXLRD-LLVKDONJSA-N 0 0 213.284 2.186 10 0 BEAERN CCN1C[C@H](C(C)=O)Cc2ccccc21 ZINC000616670774 351230938 /nfs/dbraw/zinc/23/09/38/351230938.db2.gz PSTMFYLOODNVQO-GFCCVEGCSA-N 0 0 203.285 2.274 10 0 BEAERN CO[C@@H](C)C(=O)c1ccc(C)c(F)c1F ZINC000231726044 351234424 /nfs/dbraw/zinc/23/44/24/351234424.db2.gz JHSPUWGJZACVTE-ZETCQYMHSA-N 0 0 214.211 2.491 10 0 BEAERN CN1C[C@H](c2ccnc(N)c2)Cc2ccccc21 ZINC000616672247 351235233 /nfs/dbraw/zinc/23/52/33/351235233.db2.gz YMCIICJUESZCRU-CYBMUJFWSA-N 0 0 239.322 2.270 10 0 BEAERN CCN1C[C@@H](c2conn2)Cc2ccccc21 ZINC000616673898 351237916 /nfs/dbraw/zinc/23/79/16/351237916.db2.gz UFESCKPZHSNNJG-NSHDSACASA-N 0 0 229.283 2.236 10 0 BEAERN CCN1C[C@@H](c2cnno2)Cc2ccccc21 ZINC000616673923 351238079 /nfs/dbraw/zinc/23/80/79/351238079.db2.gz VFJZZHAWRSOMSS-NSHDSACASA-N 0 0 229.283 2.236 10 0 BEAERN CC(=O)N1C[C@H](c2cnco2)Cc2ccccc21 ZINC000616674620 351239655 /nfs/dbraw/zinc/23/96/55/351239655.db2.gz VRLBRRDHXDEANF-GFCCVEGCSA-N 0 0 242.278 2.367 10 0 BEAERN CC(C)N1C[C@@H](CCO)Cc2ccccc21 ZINC000616673085 351240271 /nfs/dbraw/zinc/24/02/71/351240271.db2.gz LUKSYFAPEADGPP-LBPRGKRZSA-N 0 0 219.328 2.456 10 0 BEAERN OCCN1CC[C@H](C(F)F)c2ccccc21 ZINC000616676336 351240834 /nfs/dbraw/zinc/24/08/34/351240834.db2.gz SWQZTWNHFIXNEI-JTQLQIEISA-N 0 0 227.254 2.238 10 0 BEAERN NC(=O)N1CC[C@H](c2ccon2)c2ccccc21 ZINC000616675225 351243049 /nfs/dbraw/zinc/24/30/49/351243049.db2.gz LCISOYJXIDEASK-VIFPVBQESA-N 0 0 243.266 2.095 10 0 BEAERN C[C@@H]1C[C@H](Nc2nsnc2Cl)CS1 ZINC000306863130 351245279 /nfs/dbraw/zinc/24/52/79/351245279.db2.gz JKLHTNGRCBJNFX-UHNVWZDZSA-N 0 0 235.765 2.497 10 0 BEAERN CN1C[C@@H](c2ccnnc2)Nc2ccccc21 ZINC000616680303 351246781 /nfs/dbraw/zinc/24/67/81/351246781.db2.gz AUJYTQFOCKBKFK-LBPRGKRZSA-N 0 0 226.283 2.080 10 0 BEAERN CCN1C[C@@H](c2ccncn2)Nc2ccccc21 ZINC000616680381 351247059 /nfs/dbraw/zinc/24/70/59/351247059.db2.gz DPHQTBAWCPZGRO-ZDUSSCGKSA-N 0 0 240.310 2.470 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1C(F)F ZINC000616680158 351247179 /nfs/dbraw/zinc/24/71/79/351247179.db2.gz MBWOHGGVMCCJSB-NSHDSACASA-N 0 0 225.238 2.397 10 0 BEAERN CN1CCc2ccccc2[C@H]1c1cccnn1 ZINC000616679946 351247205 /nfs/dbraw/zinc/24/72/05/351247205.db2.gz STXZOEFMZPPCAO-AWEZNQCLSA-N 0 0 225.295 2.054 10 0 BEAERN Clc1ccc(NCCc2nccs2)nn1 ZINC000063134586 351247750 /nfs/dbraw/zinc/24/77/50/351247750.db2.gz BCWUWVSXFMKJHL-UHFFFAOYSA-N 0 0 240.719 2.241 10 0 BEAERN CCN1C[C@@H](c2cc[nH]n2)Nc2ccccc21 ZINC000616680922 351248309 /nfs/dbraw/zinc/24/83/09/351248309.db2.gz JIVATYWSKFMWGX-LBPRGKRZSA-N 0 0 228.299 2.403 10 0 BEAERN CN1C[C@@H](c2cncnc2)Nc2ccccc21 ZINC000616681683 351252186 /nfs/dbraw/zinc/25/21/86/351252186.db2.gz SRFXUJPNIWLKNZ-LBPRGKRZSA-N 0 0 226.283 2.080 10 0 BEAERN CC(C)N1c2ccccc2NC[C@H]1c1cnno1 ZINC000616683536 351252364 /nfs/dbraw/zinc/25/23/64/351252364.db2.gz PGVZPDZBWCWEIP-LBPRGKRZSA-N 0 0 244.298 2.451 10 0 BEAERN CC(C)N1C[C@H](c2cn[nH]n2)Nc2ccccc21 ZINC000616682201 351252748 /nfs/dbraw/zinc/25/27/48/351252748.db2.gz GUJGXNCXCNPSDJ-GFCCVEGCSA-N 0 0 243.314 2.186 10 0 BEAERN CCN1C[C@H](c2cn[nH]c2)Nc2ccccc21 ZINC000616682319 351252940 /nfs/dbraw/zinc/25/29/40/351252940.db2.gz JCCSXZPVSJTQSV-GFCCVEGCSA-N 0 0 228.299 2.403 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1ccncn1 ZINC000616683084 351253615 /nfs/dbraw/zinc/25/36/15/351253615.db2.gz OHSHFFJOBGZLRK-CQSZACIVSA-N 0 0 240.310 2.470 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@H]1C(C)=O ZINC000616683387 351254270 /nfs/dbraw/zinc/25/42/70/351254270.db2.gz GLNDZGLDHJVKRS-LBPRGKRZSA-N 0 0 248.282 2.033 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1cncnc1 ZINC000616685045 351255649 /nfs/dbraw/zinc/25/56/49/351255649.db2.gz XZEOUVHRGBCUNF-AWEZNQCLSA-N 0 0 240.310 2.470 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1c[nH]cn1 ZINC000616686752 351256555 /nfs/dbraw/zinc/25/65/55/351256555.db2.gz RLAJQGVCKHAACB-LBPRGKRZSA-N 0 0 214.272 2.013 10 0 BEAERN CC[C@H]1CN(C(C)=O)c2ccccc2N1 ZINC000616685645 351257531 /nfs/dbraw/zinc/25/75/31/351257531.db2.gz RAOUHCFODRPTRY-JTQLQIEISA-N 0 0 204.273 2.244 10 0 BEAERN C[C@H]1Cc2c(cnn2C(C)(C)C)C(=O)C1 ZINC000306868385 351258420 /nfs/dbraw/zinc/25/84/20/351258420.db2.gz RDOUXUVIJPJUGT-QMMMGPOBSA-N 0 0 206.289 2.403 10 0 BEAERN CCOC(=O)N1C[C@@H](F)Nc2ccccc21 ZINC000616687189 351259793 /nfs/dbraw/zinc/25/97/93/351259793.db2.gz ZZMGMCLQKYOAGT-JTQLQIEISA-N 0 0 224.235 2.371 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616654166 351195688 /nfs/dbraw/zinc/19/56/88/351195688.db2.gz OHPMEZLRHJEXML-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN CNc1cccc([C@@H]2CCOCCN2C(C)=O)c1 ZINC000616656058 351201888 /nfs/dbraw/zinc/20/18/88/351201888.db2.gz HCBGQCMTLJJAAT-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN F[C@H]1CCOCCN1Cc1ccccc1 ZINC000616659121 351206061 /nfs/dbraw/zinc/20/60/61/351206061.db2.gz NFDXGEZHZWMOQH-GFCCVEGCSA-N 0 0 209.264 2.205 10 0 BEAERN CNc1cccc([C@H]2CCN(C(C)=O)CCO2)c1 ZINC000616666052 351222564 /nfs/dbraw/zinc/22/25/64/351222564.db2.gz DUWXLKQRZIAVEW-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN COc1cccc([C@H]2CCN(C(C)=O)CCO2)c1 ZINC000616666434 351226814 /nfs/dbraw/zinc/22/68/14/351226814.db2.gz RWBWTEQSAIZXPC-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CC[C@@H]1CS[C@H](c2cnc(OC)s2)N1 ZINC000306914746 351327297 /nfs/dbraw/zinc/32/72/97/351327297.db2.gz SIAWSYFEEWVHEX-HTRCEHHLSA-N 0 0 230.358 2.265 10 0 BEAERN CC[C@H]1CS[C@H](c2cnc(OC)s2)N1 ZINC000306914747 351327322 /nfs/dbraw/zinc/32/73/22/351327322.db2.gz SIAWSYFEEWVHEX-POYBYMJQSA-N 0 0 230.358 2.265 10 0 BEAERN C[C@@H](CO)C(=O)c1ccc(Br)cc1 ZINC000137238639 351366792 /nfs/dbraw/zinc/36/67/92/351366792.db2.gz UTMGDHAXCSHOQZ-ZETCQYMHSA-N 0 0 243.100 2.260 10 0 BEAERN C[C@@H]1C[C@H](Nc2ccnc(Cl)n2)CS1 ZINC000306989543 351405049 /nfs/dbraw/zinc/40/50/49/351405049.db2.gz SCOZSOFBJFIKOM-RQJHMYQMSA-N 0 0 229.736 2.436 10 0 BEAERN C=C(Cl)C(=O)Nc1ccnc(Cl)c1 ZINC000306989196 351405284 /nfs/dbraw/zinc/40/52/84/351405284.db2.gz RTYWACOCHDMXTF-UHFFFAOYSA-N 0 0 217.055 2.426 10 0 BEAERN Fc1ccc(-n2ccc(Br)n2)nc1 ZINC000306958701 351381293 /nfs/dbraw/zinc/38/12/93/351381293.db2.gz WDRZWAWWLCHJEN-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN CC(F)(F)CC(=O)Nc1ccnc(Cl)n1 ZINC000306959139 351381989 /nfs/dbraw/zinc/38/19/89/351381989.db2.gz XBQHKWIXAOJPOZ-UHFFFAOYSA-N 0 0 235.621 2.114 10 0 BEAERN O=C1CCN(c2cc(F)ccc2Cl)C1 ZINC000231820784 351383252 /nfs/dbraw/zinc/38/32/52/351383252.db2.gz VFPAZQOPCHZPDH-UHFFFAOYSA-N 0 0 213.639 2.258 10 0 BEAERN CC(=O)c1c[nH]c([C@@]2(C)CCCS2)n1 ZINC000306977321 351396211 /nfs/dbraw/zinc/39/62/11/351396211.db2.gz APVQPPGAWBEVKE-SNVBAGLBSA-N 0 0 210.302 2.355 10 0 BEAERN Nc1ccn(-c2cc(F)ccc2Cl)n1 ZINC000231838341 351399789 /nfs/dbraw/zinc/39/97/89/351399789.db2.gz KWUSGVZGGDJRDP-UHFFFAOYSA-N 0 0 211.627 2.247 10 0 BEAERN Cc1ccc(C(=O)CN(C)C)c(F)c1F ZINC000228813117 351400791 /nfs/dbraw/zinc/40/07/91/351400791.db2.gz MDHNVXDDZNPSGP-UHFFFAOYSA-N 0 0 213.227 2.018 10 0 BEAERN Nc1ccc2nc([C@@H]3CCCO3)oc2c1 ZINC000034940006 351356678 /nfs/dbraw/zinc/35/66/78/351356678.db2.gz YRLNOEFRXMCBEZ-VIFPVBQESA-N 0 0 204.229 2.262 10 0 BEAERN Nc1cccc(C(=O)NCc2ccccc2)c1F ZINC000307023337 351427485 /nfs/dbraw/zinc/42/74/85/351427485.db2.gz FHNYSWSQIZMPSV-UHFFFAOYSA-N 0 0 244.269 2.338 10 0 BEAERN C[C@H](Nc1nsnc1Cl)C(F)F ZINC000307022952 351427563 /nfs/dbraw/zinc/42/75/63/351427563.db2.gz UZHCQNPOVNTCOG-REOHCLBHSA-N 0 0 213.640 2.257 10 0 BEAERN Cc1cscc1NCCn1cccn1 ZINC000307033554 351433398 /nfs/dbraw/zinc/43/33/98/351433398.db2.gz LVTKJNZGKRKBPW-UHFFFAOYSA-N 0 0 207.302 2.365 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1ccsc1Cl ZINC000307028426 351436027 /nfs/dbraw/zinc/43/60/27/351436027.db2.gz KSOAGYWRGDCFRU-ZETCQYMHSA-N 0 0 214.677 2.206 10 0 BEAERN OCc1cc(F)c(OC(F)F)cc1F ZINC000307034747 351438304 /nfs/dbraw/zinc/43/83/04/351438304.db2.gz UEUKHTZBEONZPD-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN C[C@@H]1CCN[C@H](c2ccns2)S1 ZINC000404432753 351448584 /nfs/dbraw/zinc/44/85/84/351448584.db2.gz CCAPSRDGCTYCPD-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@H]1CCN[C@H](c2ccns2)S1 ZINC000404432762 351448643 /nfs/dbraw/zinc/44/86/43/351448643.db2.gz CCAPSRDGCTYCPD-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN CC(=O)c1csc(-c2ccns2)n1 ZINC000404439311 351449833 /nfs/dbraw/zinc/44/98/33/351449833.db2.gz FPTOBMDSVLVMPS-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN Cc1cc([C@@H]2NC[C@H](C)CS2)sn1 ZINC000404439533 351449973 /nfs/dbraw/zinc/44/99/73/351449973.db2.gz IUBFSTJIPUHWGZ-IMTBSYHQSA-N 0 0 214.359 2.423 10 0 BEAERN Cc1cc([C@H]2NC[C@H](C)CS2)sn1 ZINC000404439535 351450108 /nfs/dbraw/zinc/45/01/08/351450108.db2.gz IUBFSTJIPUHWGZ-RCOVLWMOSA-N 0 0 214.359 2.423 10 0 BEAERN CC[C@H](C[NH2+]Cc1ccccc1)CC(=O)[O-] ZINC000307065295 351462584 /nfs/dbraw/zinc/46/25/84/351462584.db2.gz SVPCHMVKVYAOAB-NSHDSACASA-N 0 0 221.300 2.277 10 0 BEAERN C[C@H](CNC(=O)OC(C)(C)C)c1cnco1 ZINC000307069020 351463507 /nfs/dbraw/zinc/46/35/07/351463507.db2.gz YTUHFTMFUCWNPL-MRVPVSSYSA-N 0 0 226.276 2.303 10 0 BEAERN CC[C@@H]1CS[C@H](c2ccns2)N1 ZINC000404451237 351463920 /nfs/dbraw/zinc/46/39/20/351463920.db2.gz RKPBEGULCFBWDH-HTRCEHHLSA-N 0 0 200.332 2.257 10 0 BEAERN CC[C@H](N[C@H](C)C(=O)OC)c1ccccc1F ZINC000122511753 363032277 /nfs/dbraw/zinc/03/22/77/363032277.db2.gz DWPIAAIAIZXJAG-SKDRFNHKSA-N 0 0 239.290 2.428 10 0 BEAERN Cc1cnc(-c2ncc(C=O)s2)s1 ZINC000307008806 351416314 /nfs/dbraw/zinc/41/63/14/351416314.db2.gz HQVMKPZZXRQKPT-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN CCN(OC)c1ncccc1Br ZINC000307004267 351418266 /nfs/dbraw/zinc/41/82/66/351418266.db2.gz CSCJLSFWSNUWAT-UHFFFAOYSA-N 0 0 231.093 2.232 10 0 BEAERN C[C@@H](NC(=O)c1cnccc1Cl)C(F)F ZINC000307020527 351424528 /nfs/dbraw/zinc/42/45/28/351424528.db2.gz TUXGYMCGZBTFOR-RXMQYKEDSA-N 0 0 234.633 2.118 10 0 BEAERN CC[C@H](O)[C@H](O)c1ccc(C)c(Cl)c1 ZINC000231986549 351494126 /nfs/dbraw/zinc/49/41/26/351494126.db2.gz REYMFEWHCBOKHJ-WDEREUQCSA-N 0 0 214.692 2.453 10 0 BEAERN CC[S@](=O)Nc1c(C)ccnc1Cl ZINC000307145515 351499262 /nfs/dbraw/zinc/49/92/62/351499262.db2.gz JJMKNZQELJFTMP-ZDUSSCGKSA-N 0 0 218.709 2.139 10 0 BEAERN C[C@H]1CSC[C@]12[NH2+]CC[C@@H](C)S2 ZINC000307153481 351506742 /nfs/dbraw/zinc/50/67/42/351506742.db2.gz JYUUFYPDMVRQCO-DJLDLDEBSA-N 0 0 203.376 2.181 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@H](C(C)(C)C)N2 ZINC000725268353 538100392 /nfs/dbraw/zinc/10/03/92/538100392.db2.gz NHMWXHCWGZIPBZ-CHWSQXEVSA-N 0 0 235.327 2.439 10 0 BEAERN OCc1ccc(F)c(F)c1OC(F)F ZINC000307096795 351477755 /nfs/dbraw/zinc/47/77/55/351477755.db2.gz IOOOZIIMNOXUHP-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@@H](C1CCC1)N2 ZINC000725268384 538100406 /nfs/dbraw/zinc/10/04/06/538100406.db2.gz PFHLGLYHXAZHHF-TZMCWYRMSA-N 0 0 233.311 2.193 10 0 BEAERN Nc1cc(N2CCC=C(Cl)C2)sn1 ZINC000404190081 363056798 /nfs/dbraw/zinc/05/67/98/363056798.db2.gz MFXVRAKPDNEMGI-UHFFFAOYSA-N 0 0 215.709 2.058 10 0 BEAERN Cc1cc([C@H]2N[C@@H](C)CS2)sn1 ZINC000404459577 363060836 /nfs/dbraw/zinc/06/08/36/363060836.db2.gz ZDPLRNYCTNOQOF-XPUUQOCRSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000252102327 363064632 /nfs/dbraw/zinc/06/46/32/363064632.db2.gz GLEUJJKLVVLIQL-GMTAPVOTSA-N 0 0 211.305 2.114 10 0 BEAERN CC(=O)c1cnc(Cc2ccccn2)s1 ZINC000054159105 351570732 /nfs/dbraw/zinc/57/07/32/351570732.db2.gz WFBKUUNRBRHRLB-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN Cn1c2cc(C=O)ccc2nc1C(F)(F)F ZINC000076213847 180615564 /nfs/dbraw/zinc/61/55/64/180615564.db2.gz NWLSNVFXHAUNQC-UHFFFAOYSA-N 0 0 228.173 2.405 10 0 BEAERN C[C@@H]1CC(O)=C(C(=O)C(F)F)[C@@H](C)C1 ZINC000307201541 351604958 /nfs/dbraw/zinc/60/49/58/351604958.db2.gz FDBZOWBNGBLLQA-VMHSAVOQSA-N 0 0 204.216 2.072 10 0 BEAERN COC(=O)[C@@H](C)c1cc(=O)[nH]c2ccccc21 ZINC000606303154 351559703 /nfs/dbraw/zinc/55/97/03/351559703.db2.gz PALHROHFBZELCT-QMMMGPOBSA-N 0 0 231.251 2.217 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@@H](C1CCC1)N2 ZINC000725268454 538100725 /nfs/dbraw/zinc/10/07/25/538100725.db2.gz RHFQPZOLNUKTMM-UONOGXRCSA-N 0 0 233.311 2.193 10 0 BEAERN CC[C@H](C)[C@H]1Nc2cc(OC)ccc2C[C@H]1O ZINC000725268594 538100769 /nfs/dbraw/zinc/10/07/69/538100769.db2.gz WNSOPUFCUBXQEF-CUOATXAZSA-N 0 0 235.327 2.439 10 0 BEAERN O[C@H](c1cc[nH]c1)c1coc(Br)c1 ZINC000307212870 351615510 /nfs/dbraw/zinc/61/55/10/351615510.db2.gz WHCVXKSNCNKWNS-SECBINFHSA-N 0 0 242.072 2.452 10 0 BEAERN Cc1ncccc1Cn1ccc(C=O)c1 ZINC000307216956 351616735 /nfs/dbraw/zinc/61/67/35/351616735.db2.gz BYOQGAQAPJGCID-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Cc1cnn(-c2ccccc2Cl)c1N ZINC000307233579 351702348 /nfs/dbraw/zinc/70/23/48/351702348.db2.gz FAQIMVNVKHQMND-UHFFFAOYSA-N 0 0 207.664 2.247 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](O)[C@@H](C(C)C)N2 ZINC000725268620 538100842 /nfs/dbraw/zinc/10/08/42/538100842.db2.gz WXDBPAITIHONNJ-ZIAGYGMSSA-N 0 0 235.327 2.439 10 0 BEAERN Cc1nc(C(=O)c2cc(C)ccn2)cs1 ZINC000307238579 351728102 /nfs/dbraw/zinc/72/81/02/351728102.db2.gz HEUJQNDHUXEVGN-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN CCNC(=O)Oc1ccc(Cl)c(N)c1 ZINC000307242873 351747795 /nfs/dbraw/zinc/74/77/95/351747795.db2.gz JSEQFECUOSBAGZ-UHFFFAOYSA-N 0 0 214.652 2.031 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1c1cccc(Cl)n1 ZINC000307253638 351780767 /nfs/dbraw/zinc/78/07/67/351780767.db2.gz VTZNNWUFVLGZBU-IUCAKERBSA-N 0 0 226.707 2.085 10 0 BEAERN CNc1cccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000637928656 351804543 /nfs/dbraw/zinc/80/45/43/351804543.db2.gz CKFISRXHJSYEGT-MFKMUULPSA-N 0 0 248.326 2.026 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)c1cncnc1 ZINC000307254678 351789265 /nfs/dbraw/zinc/78/92/65/351789265.db2.gz YEMVYNPJYCLDLG-KOLCDFICSA-N 0 0 204.273 2.486 10 0 BEAERN C[C@H]1CCCC[C@@H]1C(=O)c1cncnc1 ZINC000307254680 351789490 /nfs/dbraw/zinc/78/94/90/351789490.db2.gz YEMVYNPJYCLDLG-ONGXEEELSA-N 0 0 204.273 2.486 10 0 BEAERN Cc1nc([C@@]2(O)CSC[C@H]2C)cs1 ZINC000307255537 351790045 /nfs/dbraw/zinc/79/00/45/351790045.db2.gz ZOEVETKSFYYHRA-HZGVNTEJSA-N 0 0 215.343 2.022 10 0 BEAERN CS[C@@H]1CCN(c2ccccc2C=O)C1 ZINC000307255774 351790317 /nfs/dbraw/zinc/79/03/17/351790317.db2.gz ZVJSEERMIPWDBR-LLVKDONJSA-N 0 0 221.325 2.441 10 0 BEAERN COc1ccc(F)c(N)c1C(F)(F)F ZINC000307274200 351830050 /nfs/dbraw/zinc/83/00/50/351830050.db2.gz MNOFPBOMDFCGSU-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC(C)=CC(=O)Nc1cnc(Cl)cn1 ZINC000232113318 351814527 /nfs/dbraw/zinc/81/45/27/351814527.db2.gz SJYUOOAMXDHZJN-UHFFFAOYSA-N 0 0 211.652 2.035 10 0 BEAERN CC1N=NC(=S)N1[C@@H]1CC12CCCC2 ZINC000307268317 351814839 /nfs/dbraw/zinc/81/48/39/351814839.db2.gz FSMDSQGFXFSSKB-MRVPVSSYSA-N 0 0 209.318 2.380 10 0 BEAERN Nc1c(F)cc(OC(F)(F)F)cc1F ZINC000307288765 351854804 /nfs/dbraw/zinc/85/48/04/351854804.db2.gz DHDRAFJZQMKSPT-UHFFFAOYSA-N 0 0 213.105 2.446 10 0 BEAERN CC[S@](=O)Nc1cccc(N)c1Cl ZINC000307289319 351855729 /nfs/dbraw/zinc/85/57/29/351855729.db2.gz YJQVJBXVAIGMFN-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN CC[C@]1(C)C(=O)N[C@H]1[C@H]1CCCSC1 ZINC000307306049 351932558 /nfs/dbraw/zinc/93/25/58/351932558.db2.gz SLEHEBGZLSNOJR-QXEWZRGKSA-N 0 0 213.346 2.044 10 0 BEAERN CC[C@]1(C)C(=O)N[C@H]1[C@@H]1CCCSC1 ZINC000307306050 351932686 /nfs/dbraw/zinc/93/26/86/351932686.db2.gz SLEHEBGZLSNOJR-YWVKMMECSA-N 0 0 213.346 2.044 10 0 BEAERN CC(C)(O)Cc1nc(CC2=CCCCC2)no1 ZINC000329763884 187538800 /nfs/dbraw/zinc/53/88/00/187538800.db2.gz VBOPRZRPTZIDGN-UHFFFAOYSA-N 0 0 236.315 2.426 10 0 BEAERN C[C@H](N1CCS[C@@H](C)C1)C(F)(F)F ZINC000307297539 351905064 /nfs/dbraw/zinc/90/50/64/351905064.db2.gz SFYPDORTSUYVCL-BQBZGAKWSA-N 0 0 213.268 2.375 10 0 BEAERN Nc1cc2c(cc1Br)OCCC2 ZINC000307309152 351954612 /nfs/dbraw/zinc/95/46/12/351954612.db2.gz FGKXDZBYDYKJIO-UHFFFAOYSA-N 0 0 228.089 2.356 10 0 BEAERN Cn1cc(SCc2cc(N)ccc2O)cn1 ZINC000042406040 180663445 /nfs/dbraw/zinc/66/34/45/180663445.db2.gz BMAYGUGTBRCKBN-UHFFFAOYSA-N 0 0 235.312 2.000 10 0 BEAERN Cc1nc(-c2cc(Br)oc2C)n[nH]1 ZINC000307336925 352055662 /nfs/dbraw/zinc/05/56/62/352055662.db2.gz FOQNQBXQCFBXLV-UHFFFAOYSA-N 0 0 242.076 2.444 10 0 BEAERN Cc1cc(C[C@@H](O)[C@@H]2CCCO2)cs1 ZINC000307323961 352019255 /nfs/dbraw/zinc/01/92/55/352019255.db2.gz DGJYRVNSJVACOY-MNOVXSKESA-N 0 0 212.314 2.139 10 0 BEAERN Nc1ccc2ccc(C(F)(F)F)nc2n1 ZINC000044029934 352131327 /nfs/dbraw/zinc/13/13/27/352131327.db2.gz GKDPKHXSLLWANT-UHFFFAOYSA-N 0 0 213.162 2.231 10 0 BEAERN OCc1ccc(F)c(OC(F)F)c1F ZINC000307340394 352078809 /nfs/dbraw/zinc/07/88/09/352078809.db2.gz SSMMPONAAXPUOF-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN Fc1c[nH]c(=S)nc1-c1cscn1 ZINC000307345649 352096981 /nfs/dbraw/zinc/09/69/81/352096981.db2.gz KYMPTRAIRCXRGF-UHFFFAOYSA-N 0 0 213.262 2.402 10 0 BEAERN Clc1csc(NCc2cnns2)n1 ZINC000307347477 352102437 /nfs/dbraw/zinc/10/24/37/352102437.db2.gz QDQMZDMSXDIUML-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN CC1=CC[C@H](CN=[S@@](C)(=O)N(C)C)CC1 ZINC000725270438 538102178 /nfs/dbraw/zinc/10/21/78/538102178.db2.gz LBIIBMLTSFNYTO-XHDPSFHLSA-N 0 0 230.377 2.307 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12C[C@H](C)CC[C@H]2C ZINC000252126559 363129269 /nfs/dbraw/zinc/12/92/69/363129269.db2.gz LMHBHZBNYYWSSJ-LSKIRQOJSA-N 0 0 212.289 2.143 10 0 BEAERN CC1(C(=O)Nc2nc(Cl)ncc2F)CC1 ZINC000307352021 352259208 /nfs/dbraw/zinc/25/92/08/352259208.db2.gz DEQPBXVFBDHCFQ-UHFFFAOYSA-N 0 0 229.642 2.008 10 0 BEAERN Cc1cc(NC/C(Cl)=C/Cl)nn1C ZINC000300935724 363168202 /nfs/dbraw/zinc/16/82/02/363168202.db2.gz WXQPYSSPKJYGKO-DAXSKMNVSA-N 0 0 220.103 2.459 10 0 BEAERN Cn1ccc(COc2cccc3c2CCC3=O)n1 ZINC000211642736 180706896 /nfs/dbraw/zinc/70/68/96/180706896.db2.gz CVDPDPAUXDPQBZ-UHFFFAOYSA-N 0 0 242.278 2.128 10 0 BEAERN Cc1nc(-c2ncnc(N)c2Cl)cs1 ZINC000307358979 352335623 /nfs/dbraw/zinc/33/56/23/352335623.db2.gz DFIRXRFKPLIHKM-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN CC(C)(C)NC(=O)N[C@H]1CCc2c1cccc2N ZINC000725271450 538102923 /nfs/dbraw/zinc/10/29/23/538102923.db2.gz NGZSQCXJUOKXAI-LBPRGKRZSA-N 0 0 247.342 2.354 10 0 BEAERN CC(C)Oc1cc(N)ncc1Br ZINC000307363978 352448270 /nfs/dbraw/zinc/44/82/70/352448270.db2.gz IBQSBJWGTNPLQI-UHFFFAOYSA-N 0 0 231.093 2.214 10 0 BEAERN CC1(C(=O)N[C@H]2CCc3c2cccc3N)CC1 ZINC000725271761 538103867 /nfs/dbraw/zinc/10/38/67/538103867.db2.gz SDTLSLKMTJMTFS-LBPRGKRZSA-N 0 0 230.311 2.172 10 0 BEAERN COc1cnc(NCc2ccccc2)cn1 ZINC000307374558 352471279 /nfs/dbraw/zinc/47/12/79/352471279.db2.gz UFKVEJIEVPBVSJ-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN OC[C@]1(Cc2cscn2)CC=CCC1 ZINC000307375215 352474562 /nfs/dbraw/zinc/47/45/62/352474562.db2.gz YUJWNSMHXGTNLV-LLVKDONJSA-N 0 0 209.314 2.404 10 0 BEAERN Nc1cccc2c1CC[C@@H]2NC(=O)C1CCC1 ZINC000725272169 538104019 /nfs/dbraw/zinc/10/40/19/538104019.db2.gz ZBHGQOSTYPPXAZ-ZDUSSCGKSA-N 0 0 230.311 2.172 10 0 BEAERN Nc1ncc(Cl)cc1-c1cnsc1 ZINC000404848333 352590685 /nfs/dbraw/zinc/59/06/85/352590685.db2.gz LRXMUWSXGWFMRC-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CSC(C)(C)CN1C(=S)N=NC1C ZINC000229123716 352591497 /nfs/dbraw/zinc/59/14/97/352591497.db2.gz YSDBWGOHHXQPRC-UHFFFAOYSA-N 0 0 217.363 2.017 10 0 BEAERN C[C@@H](CO)Nc1c(F)cc(F)cc1Cl ZINC000307427215 352593419 /nfs/dbraw/zinc/59/34/19/352593419.db2.gz REEMQAUQMZVMNZ-YFKPBYRVSA-N 0 0 221.634 2.411 10 0 BEAERN C[C@H](Nc1nncs1)c1cscn1 ZINC000232287599 352596067 /nfs/dbraw/zinc/59/60/67/352596067.db2.gz UIJPGKRMRGIAGI-YFKPBYRVSA-N 0 0 212.303 2.168 10 0 BEAERN CCCCCCOc1ccc(N)cc1C(N)=O ZINC000041080963 168672866 /nfs/dbraw/zinc/67/28/66/168672866.db2.gz BDRZUADWFWWTHK-UHFFFAOYSA-N 0 0 236.315 2.327 10 0 BEAERN C[C@@H](Nc1cnns1)c1cscn1 ZINC000232290219 352599213 /nfs/dbraw/zinc/59/92/13/352599213.db2.gz IFCSVGGFYHBWHJ-RXMQYKEDSA-N 0 0 212.303 2.168 10 0 BEAERN C[C@@]1([C@@H]([NH3+])c2ccsn2)CCCCO1 ZINC000307450633 352601141 /nfs/dbraw/zinc/60/11/41/352601141.db2.gz OVOHYRVKLIASJN-UWVGGRQHSA-N 0 0 212.318 2.102 10 0 BEAERN C[C@]1([C@H]([NH3+])c2ccsn2)CCCCO1 ZINC000307450632 352601363 /nfs/dbraw/zinc/60/13/63/352601363.db2.gz OVOHYRVKLIASJN-NXEZZACHSA-N 0 0 212.318 2.102 10 0 BEAERN COc1c(N)c(F)ccc1C(F)(F)F ZINC000307448066 352603024 /nfs/dbraw/zinc/60/30/24/352603024.db2.gz LACWVRKWIZJFFZ-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC1(Cc2nnc(Br)o2)CC1 ZINC000307451861 352605877 /nfs/dbraw/zinc/60/58/77/352605877.db2.gz RFDIJWPFBBAYKY-UHFFFAOYSA-N 0 0 217.066 2.175 10 0 BEAERN CC1(C)CSC[C@@](O)(c2ccc[nH]2)C1 ZINC000307453038 352608157 /nfs/dbraw/zinc/60/81/57/352608157.db2.gz YSLRTOMFQILWDN-LLVKDONJSA-N 0 0 211.330 2.365 10 0 BEAERN O=C1CC2(CCC2)NC(=O)N1Cc1ccccc1 ZINC000232305377 352611173 /nfs/dbraw/zinc/61/11/73/352611173.db2.gz SMWIDVACACINBG-UHFFFAOYSA-N 0 0 244.294 2.051 10 0 BEAERN O=C(c1cscn1)[C@@H]1CSCCS1 ZINC000307460934 352611384 /nfs/dbraw/zinc/61/13/84/352611384.db2.gz BBTSEDJIEYNGOE-ZETCQYMHSA-N 0 0 231.367 2.174 10 0 BEAERN Cc1nc2cnc(Br)cn2c1C ZINC000498045646 352578873 /nfs/dbraw/zinc/57/88/73/352578873.db2.gz XOKWGWBYZKBJLQ-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN CC(=S)Nc1cccc2nsnc21 ZINC000075172789 187789642 /nfs/dbraw/zinc/78/96/42/187789642.db2.gz GPMBBYNUMSPTDB-UHFFFAOYSA-N 0 0 209.299 2.451 10 0 BEAERN C[C@@H]1C[C@@H]1c1n[nH]cc1I ZINC000307548978 352647304 /nfs/dbraw/zinc/64/73/04/352647304.db2.gz OWPCVFBHGOSMSS-UHNVWZDZSA-N 0 0 248.067 2.138 10 0 BEAERN Cc1c[nH]c(C(=O)[C@H]2CCCCO2)c1C ZINC000307550722 352647385 /nfs/dbraw/zinc/64/73/85/352647385.db2.gz OTYUWBPJNZBVMA-SNVBAGLBSA-N 0 0 207.273 2.383 10 0 BEAERN Cc1ccc([C@]2(O)CCOC2(C)C)s1 ZINC000307554820 352648786 /nfs/dbraw/zinc/64/87/86/352648786.db2.gz MTRCKPGQDLXXJX-LLVKDONJSA-N 0 0 212.314 2.443 10 0 BEAERN O=C1NCC[C@H]1Cc1ccc(Cl)s1 ZINC000133902006 352650730 /nfs/dbraw/zinc/65/07/30/352650730.db2.gz OCKXGMYNQMBLMI-LURJTMIESA-N 0 0 215.705 2.080 10 0 BEAERN CCCn1cc(Br)cc1C(=O)NC ZINC000036858136 187768162 /nfs/dbraw/zinc/76/81/62/187768162.db2.gz VFZVPBQNZDUPEO-UHFFFAOYSA-N 0 0 245.120 2.020 10 0 BEAERN CCCNc1ccc(C(N)=O)c(Cl)c1 ZINC000037121427 187769118 /nfs/dbraw/zinc/76/91/18/187769118.db2.gz WDKYYJSEIUDXBD-UHFFFAOYSA-N 0 0 212.680 2.261 10 0 BEAERN COc1ccncc1C(=O)c1ccsc1 ZINC000307574804 352658376 /nfs/dbraw/zinc/65/83/76/352658376.db2.gz HUILBZFAWCNAHF-UHFFFAOYSA-N 0 0 219.265 2.383 10 0 BEAERN C/C=C/CNc1ccccc1C(=O)OC ZINC000039085558 187773784 /nfs/dbraw/zinc/77/37/84/187773784.db2.gz VMAVSKHXWATIAM-ONEGZZNKSA-N 0 0 205.257 2.461 10 0 BEAERN C[C@H](COCc1ccccc1)[NH2+]Cc1cn[nH]c1 ZINC000608067102 352663226 /nfs/dbraw/zinc/66/32/26/352663226.db2.gz VTACXHKOTKNVPH-GFCCVEGCSA-N 0 0 245.326 2.105 10 0 BEAERN Cc1nn(C)cc1C(=O)[C@H]1CCC[C@@H]1C ZINC000307499093 352626581 /nfs/dbraw/zinc/62/65/81/352626581.db2.gz KXWRTRLWUVITJV-WPRPVWTQSA-N 0 0 206.289 2.347 10 0 BEAERN CC(C)Oc1cc(-n2ccnc2)ccc1N ZINC000133869973 352626733 /nfs/dbraw/zinc/62/67/33/352626733.db2.gz KXPZFNOYCZEIEC-UHFFFAOYSA-N 0 0 217.272 2.242 10 0 BEAERN CCCn1ccnc(N[C@H](C)[C@H](C)CC)c1=O ZINC000061764682 187783763 /nfs/dbraw/zinc/78/37/63/187783763.db2.gz MJCUDNJGBGSIAJ-GHMZBOCLSA-N 0 0 237.347 2.500 10 0 BEAERN Cc1nn(Cc2ccoc2)c(N)c1Cl ZINC000063047547 187785026 /nfs/dbraw/zinc/78/50/26/187785026.db2.gz XHLDLJGRLFJFAC-UHFFFAOYSA-N 0 0 211.652 2.068 10 0 BEAERN CC(C)[C@@H]1Nc2ccccc2C(=O)N1C ZINC000066128374 187785278 /nfs/dbraw/zinc/78/52/78/187785278.db2.gz POWBIFXXKOMRAH-LLVKDONJSA-N 0 0 204.273 2.166 10 0 BEAERN C[C@@H]1CSC[C@]1(O)Cc1ccccc1 ZINC000307529803 352635345 /nfs/dbraw/zinc/63/53/45/352635345.db2.gz PGKSKXOBJWGQCO-ZYHUDNBSSA-N 0 0 208.326 2.343 10 0 BEAERN CN(C)c1cccc(Br)c1O ZINC000095711976 187799879 /nfs/dbraw/zinc/79/98/79/187799879.db2.gz KUJKEOPGCIDDPH-UHFFFAOYSA-N 0 0 216.078 2.221 10 0 BEAERN CC(C)C[S@](=O)Cc1ccccc1N ZINC000040969915 187803345 /nfs/dbraw/zinc/80/33/45/187803345.db2.gz DTSQLTAWAHRMCF-CQSZACIVSA-N 0 0 211.330 2.174 10 0 BEAERN O=C1CC[C@H](Cc2sccc2Cl)N1 ZINC000307624137 352695025 /nfs/dbraw/zinc/69/50/25/352695025.db2.gz FLOYUDMITRBXPM-ZCFIWIBFSA-N 0 0 215.705 2.223 10 0 BEAERN CC(C)C[S@](=O)Cc1cccc(N)c1 ZINC000042372897 187804688 /nfs/dbraw/zinc/80/46/88/187804688.db2.gz NOAVAUBNQNCXJG-CQSZACIVSA-N 0 0 211.330 2.174 10 0 BEAERN CC(=O)NC(C)(C)c1ccc(Cl)nc1 ZINC000114209761 187807314 /nfs/dbraw/zinc/80/73/14/187807314.db2.gz DIXJRXAQVZYOHK-UHFFFAOYSA-N 0 0 212.680 2.106 10 0 BEAERN COC(=O)Oc1cc(N)cc(Br)c1 ZINC000307625735 352702752 /nfs/dbraw/zinc/70/27/52/352702752.db2.gz JWZAOBSRUYRMLD-UHFFFAOYSA-N 0 0 246.060 2.177 10 0 BEAERN OCc1cccc2nc(-c3ccncc3)oc21 ZINC000142151274 187810963 /nfs/dbraw/zinc/81/09/63/187810963.db2.gz BMYRMIHZSZSOGM-UHFFFAOYSA-N 0 0 226.235 2.382 10 0 BEAERN CC(C)(C)c1ccc2c(N)c(C(N)=O)oc2c1 ZINC000200157426 187829687 /nfs/dbraw/zinc/82/96/87/187829687.db2.gz UWPQQRBCFVNBIG-UHFFFAOYSA-N 0 0 232.283 2.411 10 0 BEAERN O=Cc1ccc2c(c1Br)OCCO2 ZINC000258060350 187841644 /nfs/dbraw/zinc/84/16/44/187841644.db2.gz SNRCZGNEJYEAHQ-UHFFFAOYSA-N 0 0 243.056 2.033 10 0 BEAERN Cc1ccc(O)c(C(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000334339616 352975117 /nfs/dbraw/zinc/97/51/17/352975117.db2.gz MHSBFKCCVVFSGD-PWSUYJOCSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1ccc(O)c(C(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000334339618 352975137 /nfs/dbraw/zinc/97/51/37/352975137.db2.gz MHSBFKCCVVFSGD-ZYHUDNBSSA-N 0 0 231.295 2.325 10 0 BEAERN CN(C)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000307696211 352964173 /nfs/dbraw/zinc/96/41/73/352964173.db2.gz KAEQXUDCMSLHSP-UHFFFAOYSA-N 0 0 219.071 2.090 10 0 BEAERN CNc1nnc(SC(F)(F)F)s1 ZINC000306624888 353030062 /nfs/dbraw/zinc/03/00/62/353030062.db2.gz GBRFEQFUISYOBW-UHFFFAOYSA-N 0 0 215.225 2.192 10 0 BEAERN CC1(C)CN(c2nsnc2Cl)C1 ZINC000306676929 353033353 /nfs/dbraw/zinc/03/33/53/353033353.db2.gz XMRPEACDUBJZFD-UHFFFAOYSA-N 0 0 203.698 2.038 10 0 BEAERN Cc1cc(Cl)nc(NC(=O)C(C)(C)F)n1 ZINC000306213190 352994488 /nfs/dbraw/zinc/99/44/88/352994488.db2.gz LHBMAGBGMXAYRV-UHFFFAOYSA-N 0 0 231.658 2.125 10 0 BEAERN CCNc1nc(Cl)nc2c1SCC2 ZINC000306223988 352997297 /nfs/dbraw/zinc/99/72/97/352997297.db2.gz CXYKCEFEHGPFSV-UHFFFAOYSA-N 0 0 215.709 2.210 10 0 BEAERN Cn1ncc2c1C[C@@H](c1ccc(F)cc1)C[C@@H]2O ZINC000072415849 180827850 /nfs/dbraw/zinc/82/78/50/180827850.db2.gz HJXJJPFRRPXUKR-YGRLFVJLSA-N 0 0 246.285 2.323 10 0 BEAERN C[C@@H]1CC[C@@H]1Nc1nc(Cl)ncc1F ZINC000306233850 352998218 /nfs/dbraw/zinc/99/82/18/352998218.db2.gz MSOBBMPWZLPTFX-VDTYLAMSSA-N 0 0 215.659 2.480 10 0 BEAERN Clc1nc(NC[C@@H]2CCOC2)cs1 ZINC000306379422 353008010 /nfs/dbraw/zinc/00/80/10/353008010.db2.gz PTQHVKJOSWCRJC-LURJTMIESA-N 0 0 218.709 2.245 10 0 BEAERN OC[C@H]1CCO[C@H]1c1sccc1Cl ZINC000307160280 353058053 /nfs/dbraw/zinc/05/80/53/353058053.db2.gz VSAPGURKFWAJEA-HTRCEHHLSA-N 0 0 218.705 2.471 10 0 BEAERN Cc1ccc(Br)cc1N[S@@](C)=O ZINC000306793974 353038568 /nfs/dbraw/zinc/03/85/68/353038568.db2.gz FMEZJTXBNYZGHD-GFCCVEGCSA-N 0 0 248.145 2.463 10 0 BEAERN OC[C@@H]1CCC2(CCC(F)(F)CC2)O1 ZINC000536950935 323955074 /nfs/dbraw/zinc/95/50/74/323955074.db2.gz WSPDWXHDOCXVML-QMMMGPOBSA-N 0 0 206.232 2.106 10 0 BEAERN C=C(Cl)C(=O)Nc1cnccc1Cl ZINC000307019426 353050047 /nfs/dbraw/zinc/05/00/47/353050047.db2.gz VDBRKCDOIRUNHM-UHFFFAOYSA-N 0 0 217.055 2.426 10 0 BEAERN C[C@H](CO)Nc1c(F)cc(F)cc1Cl ZINC000307427214 353076413 /nfs/dbraw/zinc/07/64/13/353076413.db2.gz REEMQAUQMZVMNZ-RXMQYKEDSA-N 0 0 221.634 2.411 10 0 BEAERN N#CNCc1ccc(Br)s1 ZINC000052832537 353108616 /nfs/dbraw/zinc/10/86/16/353108616.db2.gz BFWVKUWSKRTRIW-UHFFFAOYSA-N 0 0 217.091 2.081 10 0 BEAERN N#CNc1ccccc1OC(F)(F)F ZINC000052832134 353108707 /nfs/dbraw/zinc/10/87/07/353108707.db2.gz KLVONOWWJVDAKV-UHFFFAOYSA-N 0 0 202.135 2.478 10 0 BEAERN Cc1cc(Br)c(CN(C)C)cc1N ZINC000307451790 353077716 /nfs/dbraw/zinc/07/77/16/353077716.db2.gz TULACALNLUYOAC-UHFFFAOYSA-N 0 0 243.148 2.401 10 0 BEAERN Cc1cc(C(N)=S)ccc1NCCF ZINC000307476911 353078651 /nfs/dbraw/zinc/07/86/51/353078651.db2.gz UZMGLBDSNXCLDH-UHFFFAOYSA-N 0 0 212.293 2.011 10 0 BEAERN CSc1cnc(N[C@@H]2CC2(C)C)nc1 ZINC000307628933 353087951 /nfs/dbraw/zinc/08/79/51/353087951.db2.gz MRNGOBARVWEWIP-MRVPVSSYSA-N 0 0 209.318 2.409 10 0 BEAERN FC1(F)CC[C@H](n2cnnc2Cl)C1 ZINC000307657590 353091042 /nfs/dbraw/zinc/09/10/42/353091042.db2.gz BLALHMIYQNIOEA-YFKPBYRVSA-N 0 0 207.611 2.292 10 0 BEAERN Clc1nnc(NCc2ccoc2)s1 ZINC000307700466 353094278 /nfs/dbraw/zinc/09/42/78/353094278.db2.gz QEUIVAXWSKNBFN-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN CC(C)(F)c1nnc(Br)o1 ZINC000307735928 353098960 /nfs/dbraw/zinc/09/89/60/353098960.db2.gz RDHBSEPFOBFRQW-UHFFFAOYSA-N 0 0 209.018 2.037 10 0 BEAERN CC(=O)c1sc(C2CSC2)nc1C ZINC000405139378 353126269 /nfs/dbraw/zinc/12/62/69/353126269.db2.gz LEUKDRMWQURACA-UHFFFAOYSA-N 0 0 213.327 2.485 10 0 BEAERN Cc1ccn(-c2ccc(C=O)cc2F)n1 ZINC000052884523 353127353 /nfs/dbraw/zinc/12/73/53/353127353.db2.gz RUFBNAANSDFQRC-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN Cc1ccn(-c2ccc(F)cc2C=O)n1 ZINC000052884530 353127481 /nfs/dbraw/zinc/12/74/81/353127481.db2.gz XUOQRMLCNBPMSU-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN CC(C)(O)C(=O)C[C@H]1Cc2ccccc21 ZINC000232554584 353127794 /nfs/dbraw/zinc/12/77/94/353127794.db2.gz IWJNPQIBEQSJBM-SNVBAGLBSA-N 0 0 204.269 2.056 10 0 BEAERN Cc1cc(Cl)nc(NC(=O)CC(C)C)n1 ZINC000232557540 353128551 /nfs/dbraw/zinc/12/85/51/353128551.db2.gz VKMCCQKBZKACND-UHFFFAOYSA-N 0 0 227.695 2.423 10 0 BEAERN CC(C)(O)[C@@H](O)Cc1cccc(Cl)c1 ZINC000232564061 353133464 /nfs/dbraw/zinc/13/34/64/353133464.db2.gz KXTLXTPFONFNMB-JTQLQIEISA-N 0 0 214.692 2.014 10 0 BEAERN O=C(Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000052944845 353137861 /nfs/dbraw/zinc/13/78/61/353137861.db2.gz IXZPXFNJFAEWRN-JTQLQIEISA-N 0 0 224.687 2.488 10 0 BEAERN CC(C)COc1cc(N)cc(Cl)n1 ZINC000232584166 353138441 /nfs/dbraw/zinc/13/84/41/353138441.db2.gz OLCFFBZZZMSGHJ-UHFFFAOYSA-N 0 0 200.669 2.352 10 0 BEAERN CC(=O)c1cccc(F)c1-n1ccnc1 ZINC000232593479 353141182 /nfs/dbraw/zinc/14/11/82/353141182.db2.gz NUJDWGBBTUITHU-UHFFFAOYSA-N 0 0 204.204 2.214 10 0 BEAERN CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1 ZINC000109845474 188059593 /nfs/dbraw/zinc/05/95/93/188059593.db2.gz LPGOMVMDHAQLLU-LLVKDONJSA-N 0 0 236.315 2.310 10 0 BEAERN O=S1(=Nc2ccnc(F)c2)CCCC1 ZINC000536958317 323969538 /nfs/dbraw/zinc/96/95/38/323969538.db2.gz XZAXQEVXEKEUPE-UHFFFAOYSA-N 0 0 214.265 2.114 10 0 BEAERN Cn1nc(-c2ccc3c(c2)CCCC3)cc1C[NH3+] ZINC000009280256 188103597 /nfs/dbraw/zinc/10/35/97/188103597.db2.gz KGODYPBOGQNYIZ-UHFFFAOYSA-N 0 0 241.338 2.425 10 0 BEAERN CCNc1ccccc1-c1nc(C)no1 ZINC000036939720 188104971 /nfs/dbraw/zinc/10/49/71/188104971.db2.gz OAEDWFXPPPTKGT-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CC(C)(C[C@@](C)([NH3+])C(=O)[O-])c1ccccc1 ZINC000255969081 188086825 /nfs/dbraw/zinc/08/68/25/188086825.db2.gz DGZMCUAZJWKZKI-CYBMUJFWSA-N 0 0 221.300 2.156 10 0 BEAERN CCC[C@@H]1CCC[C@H]1NCC(F)(F)CO ZINC000336759236 353168843 /nfs/dbraw/zinc/16/88/43/353168843.db2.gz KKQWMXGBCACJED-NXEZZACHSA-N 0 0 221.291 2.172 10 0 BEAERN Cc1oncc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018068783 188107521 /nfs/dbraw/zinc/10/75/21/188107521.db2.gz SMLPEOZFVGZAOD-DTORHVGOSA-N 0 0 222.288 2.101 10 0 BEAERN COc1ccc([C@H](C)N2CCC(=O)CC2)cc1 ZINC000019728829 188107893 /nfs/dbraw/zinc/10/78/93/188107893.db2.gz OSVMGBWJDTYHNU-NSHDSACASA-N 0 0 233.311 2.421 10 0 BEAERN Nc1cccnc1NCCc1ccc(F)cc1 ZINC000020278709 188108655 /nfs/dbraw/zinc/10/86/55/188108655.db2.gz BGBVKCKBIOLPIV-UHFFFAOYSA-N 0 0 231.274 2.458 10 0 BEAERN CC(=O)N1CCc2cccc3c2[C@@H]1CCC3=O ZINC000020397823 188108658 /nfs/dbraw/zinc/10/86/58/188108658.db2.gz GNCKZDVQVQCDKK-LBPRGKRZSA-N 0 0 229.279 2.109 10 0 BEAERN CC(C)N(CCCO)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000038099635 188109594 /nfs/dbraw/zinc/10/95/94/188109594.db2.gz KANJMTYKNVMYIM-XQQFMLRXSA-N 0 0 239.359 2.042 10 0 BEAERN CC(=O)N1CN(C(C)=S)c2ccccc21 ZINC000039124852 188110310 /nfs/dbraw/zinc/11/03/10/188110310.db2.gz CYMHZWAKAWJDKM-UHFFFAOYSA-N 0 0 220.297 2.164 10 0 BEAERN CN1CCO[C@H]1c1cccc(Br)c1 ZINC000033856841 188110973 /nfs/dbraw/zinc/11/09/73/188110973.db2.gz JFEADYOUTRCSKM-JTQLQIEISA-N 0 0 242.116 2.410 10 0 BEAERN Cc1cccc(OCc2nc(C)cc(N)n2)c1 ZINC000033856165 188111084 /nfs/dbraw/zinc/11/10/84/188111084.db2.gz RBVMGKYJABDGPS-UHFFFAOYSA-N 0 0 229.283 2.255 10 0 BEAERN COc1ccc(C(=O)c2cccnc2)cc1F ZINC000035424054 188111213 /nfs/dbraw/zinc/11/12/13/188111213.db2.gz RPVMXQXVGSIOID-UHFFFAOYSA-N 0 0 231.226 2.460 10 0 BEAERN Cc1nc(COc2ccc(C)cc2[C@H](C)O)no1 ZINC000035630033 188111268 /nfs/dbraw/zinc/11/12/68/188111268.db2.gz CXAWWPDWFBSCQT-VIFPVBQESA-N 0 0 248.282 2.319 10 0 BEAERN Cc1ccc2nc(-c3cnn(C)c3N)oc2c1 ZINC000035279206 188111335 /nfs/dbraw/zinc/11/13/35/188111335.db2.gz ASOBHBJBMRRKCU-UHFFFAOYSA-N 0 0 228.255 2.119 10 0 BEAERN CC(C)(C)c1ccc([C@H](N)c2ncon2)cc1 ZINC000036761997 188112291 /nfs/dbraw/zinc/11/22/91/188112291.db2.gz PDTSLADBRDPVRO-NSHDSACASA-N 0 0 231.299 2.415 10 0 BEAERN C=CC(=O)N(C)CCOc1cc(C)cc(C)c1 ZINC000037829132 188114796 /nfs/dbraw/zinc/11/47/96/188114796.db2.gz NTNDZDFIOJFAOI-UHFFFAOYSA-N 0 0 233.311 2.327 10 0 BEAERN CCC[C@H]1CCC(=O)[C@@H](C(OC)OC)C1 ZINC000121999799 538110292 /nfs/dbraw/zinc/11/02/92/538110292.db2.gz TVCIQASSZCMFMO-UWVGGRQHSA-N 0 0 214.305 2.391 10 0 BEAERN O[C@@H](Cc1cccc(Cl)c1)c1cn[nH]c1 ZINC000309089118 538110306 /nfs/dbraw/zinc/11/03/06/538110306.db2.gz CQJCNANHCUTRIH-NSHDSACASA-N 0 0 222.675 2.339 10 0 BEAERN COc1ccc([C@H](C)CO)cc1Cl ZINC000041210452 188119020 /nfs/dbraw/zinc/11/90/20/188119020.db2.gz QRKFZIJIDYVJQV-SSDOTTSWSA-N 0 0 200.665 2.444 10 0 BEAERN Nc1ccc(SCc2ccncc2)cn1 ZINC000037192699 188106057 /nfs/dbraw/zinc/10/60/57/188106057.db2.gz FZWYOIAVWMFSGY-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN Cc1c2[nH]nc(C=O)c2ccc1Br ZINC000014985892 188106063 /nfs/dbraw/zinc/10/60/63/188106063.db2.gz IBWRVJFENOQITQ-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN O=C(NC(=S)Nc1ccccc1F)C1CC1 ZINC000013988642 188106121 /nfs/dbraw/zinc/10/61/21/188106121.db2.gz QJZTXQJKZRZGTK-UHFFFAOYSA-N 0 0 238.287 2.049 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000048411754 188124549 /nfs/dbraw/zinc/12/45/49/188124549.db2.gz DYILTEFAFRBMAB-ZETCQYMHSA-N 0 0 214.696 2.442 10 0 BEAERN FC(F)(F)CNCCCc1ccco1 ZINC000037973992 180883764 /nfs/dbraw/zinc/88/37/64/180883764.db2.gz VIDISEWAACTSIM-UHFFFAOYSA-N 0 0 207.195 2.364 10 0 BEAERN CC(C)(C)c1ccc(N2CCC(=O)C2=O)cc1 ZINC000049646766 188125753 /nfs/dbraw/zinc/12/57/53/188125753.db2.gz BGCAUYWRNXLWCO-UHFFFAOYSA-N 0 0 231.295 2.290 10 0 BEAERN CC(=O)c1ccc(C)cc1O[C@H](C)[C@H](C)O ZINC000087131057 188126361 /nfs/dbraw/zinc/12/63/61/188126361.db2.gz MCKGHJRADBCFMM-GXSJLCMTSA-N 0 0 222.284 2.346 10 0 BEAERN Cc1cccc([C@H](O)c2cn[nH]c2)c1C ZINC000309106893 538110488 /nfs/dbraw/zinc/11/04/88/538110488.db2.gz MSDWKNJBQMDBQY-GFCCVEGCSA-N 0 0 202.257 2.108 10 0 BEAERN CC(C)(C)N1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000057599264 188127966 /nfs/dbraw/zinc/12/79/66/188127966.db2.gz JERBWURCWWHQBK-CHWSQXEVSA-N 0 0 235.327 2.177 10 0 BEAERN CC1CCC(Oc2ncc(N)cn2)CC1 ZINC000040456005 188130393 /nfs/dbraw/zinc/13/03/93/188130393.db2.gz OMCQDMDMXUZUEB-UHFFFAOYSA-N 0 0 207.277 2.016 10 0 BEAERN CC(=O)O[C@H]1CCC(=O)c2ccccc21 ZINC000075824154 188132781 /nfs/dbraw/zinc/13/27/81/188132781.db2.gz MUOHPPODVWBDEU-LBPRGKRZSA-N 0 0 204.225 2.267 10 0 BEAERN CC(C)[C@H](O)c1nc2cnccc2s1 ZINC000075853618 188133475 /nfs/dbraw/zinc/13/34/75/188133475.db2.gz SHDHXVOGECVUDT-VIFPVBQESA-N 0 0 208.286 2.381 10 0 BEAERN CC(C)(C)c1ccc2c(c1)[C@@H](C(=O)[O-])[NH2+]CC2 ZINC000082343125 188138353 /nfs/dbraw/zinc/13/83/53/188138353.db2.gz JJWIYVCGTDWWGU-LBPRGKRZSA-N 0 0 233.311 2.256 10 0 BEAERN FC(F)(F)[C@@]1(c2cccnc2)CCCN1 ZINC000091692097 180889677 /nfs/dbraw/zinc/88/96/77/180889677.db2.gz MPJCLGOVNFOSDV-VIFPVBQESA-N 0 0 216.206 2.223 10 0 BEAERN CC(=O)c1nc(C2(c3ccccc3)CC2)no1 ZINC000104066897 188150527 /nfs/dbraw/zinc/15/05/27/188150527.db2.gz XCLHFRFJWOCPES-UHFFFAOYSA-N 0 0 228.251 2.352 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1[C@H]1C[C@@H]1C ZINC000043375651 188151936 /nfs/dbraw/zinc/15/19/36/188151936.db2.gz YGYDOBNKLYHJNJ-IUCAKERBSA-N 0 0 207.321 2.324 10 0 BEAERN CC(=O)c1ccc2c(Cl)ccnc2n1 ZINC000149678560 188156677 /nfs/dbraw/zinc/15/66/77/188156677.db2.gz YDBMGHFASQUINC-UHFFFAOYSA-N 0 0 206.632 2.486 10 0 BEAERN COc1ccc2[nH]c(=O)c(C(C)C)nc2c1 ZINC000149848082 188157189 /nfs/dbraw/zinc/15/71/89/188157189.db2.gz FBXXRQRPDYYSGE-UHFFFAOYSA-N 0 0 218.256 2.055 10 0 BEAERN CC(C)(C)[S@](=O)CCc1ccccc1N ZINC000052919288 188158812 /nfs/dbraw/zinc/15/88/12/188158812.db2.gz QCZDNYVMRROQTQ-HNNXBMFYSA-N 0 0 225.357 2.359 10 0 BEAERN CCc1nc(Br)c(OC)s1 ZINC000040544435 188165552 /nfs/dbraw/zinc/16/55/52/188165552.db2.gz WNJTVDDXQNYAKX-UHFFFAOYSA-N 0 0 222.107 2.477 10 0 BEAERN CC(C)n1cc(O[C@H]2CCCC[C@H]2O)cn1 ZINC000162031009 538111700 /nfs/dbraw/zinc/11/17/00/538111700.db2.gz GMDVUDHSDAQCSU-NEPJUHHUSA-N 0 0 224.304 2.146 10 0 BEAERN Cc1ccc(N)c(C)c1N1CCCC1=O ZINC000019476940 188172015 /nfs/dbraw/zinc/17/20/15/188172015.db2.gz GAIIEUXSQGXFLO-UHFFFAOYSA-N 0 0 204.273 2.012 10 0 BEAERN COc1ccc2[nH]c(C(=O)N[C@H]3C[C@@H]3C)cc2c1 ZINC000189235307 188172406 /nfs/dbraw/zinc/17/24/06/188172406.db2.gz LOMKDBCEEMBLAE-UFBFGSQYSA-N 0 0 244.294 2.315 10 0 BEAERN Cc1c(-c2ccccc2N)sc2ncnn12 ZINC000097758206 188148692 /nfs/dbraw/zinc/14/86/92/188148692.db2.gz AYINNXKZVGZVOA-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN CC(C)=C(F)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000122011900 188149226 /nfs/dbraw/zinc/14/92/26/188149226.db2.gz PWBQYFWCGCVRKD-WDEREUQCSA-N 0 0 241.306 2.324 10 0 BEAERN CC(C)c1ccc(C(=O)C[NH2+][C@@H](C)C(=O)[O-])cc1 ZINC000098128482 188149583 /nfs/dbraw/zinc/14/95/83/188149583.db2.gz AFXMBXWBNSPBJN-JTQLQIEISA-N 0 0 249.310 2.055 10 0 BEAERN Cn1cc(Br)c2ncccc21 ZINC000082373786 188174452 /nfs/dbraw/zinc/17/44/52/188174452.db2.gz SFABSAOTNYQZIU-UHFFFAOYSA-N 0 0 211.062 2.336 10 0 BEAERN c1csc(-c2cn3ccncc3n2)c1 ZINC000126543841 353250898 /nfs/dbraw/zinc/25/08/98/353250898.db2.gz PKWCNLGVTBLNKJ-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN NC(=S)c1cccc(F)c1Br ZINC000083360535 188180114 /nfs/dbraw/zinc/18/01/14/188180114.db2.gz RGOKXYHBDDYOIO-UHFFFAOYSA-N 0 0 234.093 2.222 10 0 BEAERN CC(C)(C)[C@@H]1CC[C@@](C[NH3+])(CC(=O)[O-])C1 ZINC000033975536 188182715 /nfs/dbraw/zinc/18/27/15/188182715.db2.gz IXSSATLCJUPVIE-SKDRFNHKSA-N 0 0 213.321 2.252 10 0 BEAERN OCc1cccnc1-c1ccc(F)cc1 ZINC000066346722 188185076 /nfs/dbraw/zinc/18/50/76/188185076.db2.gz LHUWIIWXVJCESL-UHFFFAOYSA-N 0 0 203.216 2.380 10 0 BEAERN CC(=O)c1ccc(O[C@H](C)[C@@H](C)O)c(C)c1 ZINC000125364322 188191283 /nfs/dbraw/zinc/19/12/83/188191283.db2.gz ACEWNGULETUXDG-MWLCHTKSSA-N 0 0 222.284 2.346 10 0 BEAERN Oc1cccc(S[C@@H]2CCC[C@H]2O)c1 ZINC000126959125 353261405 /nfs/dbraw/zinc/26/14/05/353261405.db2.gz HHTLNHUYKQGZJY-GHMZBOCLSA-N 0 0 210.298 2.398 10 0 BEAERN CC1(C)CCC([C@H]2C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000309461930 538114200 /nfs/dbraw/zinc/11/42/00/538114200.db2.gz RDZAHPBOCJCNOW-GHMZBOCLSA-N 0 0 225.332 2.123 10 0 BEAERN CC1(C)C[C@H]1C(=O)Nc1ccc(F)nc1 ZINC000133422935 188222641 /nfs/dbraw/zinc/22/26/41/188222641.db2.gz UPVAGBYGEHUQQN-QMMMGPOBSA-N 0 0 208.236 2.205 10 0 BEAERN C1CC1N1CCC[C@@H]1c1nc([C@H]2CCCO2)no1 ZINC000329572842 188226425 /nfs/dbraw/zinc/22/64/25/188226425.db2.gz JGUFPMHJUJPZSZ-GHMZBOCLSA-N 0 0 249.314 2.220 10 0 BEAERN Cc1nc([C@@](C)(N)C(F)(F)F)cs1 ZINC000165325467 353302242 /nfs/dbraw/zinc/30/22/42/353302242.db2.gz URTLAHAQHSMIDP-ZCFIWIBFSA-N 0 0 210.224 2.188 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)c2nnc(Cl)s2)C1 ZINC000128867676 353305287 /nfs/dbraw/zinc/30/52/87/353305287.db2.gz XXYTVUAELUEDFC-PHDIDXHHSA-N 0 0 245.735 2.110 10 0 BEAERN Fc1cncc(-c2nnc(Cl)s2)c1 ZINC000160156919 353343398 /nfs/dbraw/zinc/34/33/98/353343398.db2.gz USAJKNPDXLQRAJ-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN CC(C)[C@H](O)[C@H](O)c1ccc(Cl)cc1 ZINC000232760069 353366961 /nfs/dbraw/zinc/36/69/61/353366961.db2.gz XISOASBFYUVDJN-WDEREUQCSA-N 0 0 214.692 2.390 10 0 BEAERN O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1C1CCC1 ZINC000165501994 353374104 /nfs/dbraw/zinc/37/41/04/353374104.db2.gz YEVXHDHKJZRXOG-JLLWLGSASA-N 0 0 248.326 2.134 10 0 BEAERN Nc1noc(-c2cncc(F)c2)c1Cl ZINC000160177824 353376781 /nfs/dbraw/zinc/37/67/81/353376781.db2.gz AKNPSDUGYJZIPP-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN CC[C@@H]1Nc2ncnc(Cl)c2O[C@@H]1C ZINC000132209979 353378214 /nfs/dbraw/zinc/37/82/14/353378214.db2.gz NRZCLBMVCWLTTL-RITPCOANSA-N 0 0 213.668 2.101 10 0 BEAERN Fc1cc(Cl)ccc1OC[C@H]1CO1 ZINC000075880968 180950213 /nfs/dbraw/zinc/95/02/13/180950213.db2.gz RILWPWUJBNSZTD-SSDOTTSWSA-N 0 0 202.612 2.257 10 0 BEAERN C[C@H]1C[C@H](OCC(N)=S)C[C@@H](C)C1 ZINC000252201143 363218139 /nfs/dbraw/zinc/21/81/39/363218139.db2.gz WICRQPJSFSKXRA-BRPSZJMVSA-N 0 0 201.335 2.114 10 0 BEAERN CC(C)(C)Nc1nc(Cl)nc2nc[nH]c21 ZINC000160184760 353404074 /nfs/dbraw/zinc/40/40/74/353404074.db2.gz XYCSYAIZCNEYRE-UHFFFAOYSA-N 0 0 225.683 2.217 10 0 BEAERN Cc1cn(COC2CCCCC2)nc1N ZINC000308781714 538117362 /nfs/dbraw/zinc/11/73/62/538117362.db2.gz CUCRTYVEBSDYPO-UHFFFAOYSA-N 0 0 209.293 2.081 10 0 BEAERN CCCn1c(C(F)(F)C(F)F)n[nH]c1=S ZINC000228202809 538117739 /nfs/dbraw/zinc/11/77/39/538117739.db2.gz OUGHOUQAYDAJLP-UHFFFAOYSA-N 0 0 243.229 2.334 10 0 BEAERN Fc1ccc(CNc2cncnc2)c(F)c1 ZINC000083350933 180969996 /nfs/dbraw/zinc/96/99/96/180969996.db2.gz QOVOOVHNMDKIOO-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Cc1cc(Br)c(F)cc1NC=O ZINC000135230751 353550362 /nfs/dbraw/zinc/55/03/62/353550362.db2.gz RVKVNAXGQUWETI-UHFFFAOYSA-N 0 0 232.052 2.465 10 0 BEAERN CC1([NH2+][C@@H]2CC[C@H]2C(=O)[O-])CCCCC1 ZINC000232810970 353576692 /nfs/dbraw/zinc/57/66/92/353576692.db2.gz PZDJFNDHSQRQNR-NXEZZACHSA-N 0 0 211.305 2.162 10 0 BEAERN CC[C@@H](C(=O)N1CCCO1)c1ccccc1 ZINC000125399430 188439241 /nfs/dbraw/zinc/43/92/41/188439241.db2.gz QKRQBVPAJZFCJA-GFCCVEGCSA-N 0 0 219.284 2.344 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1cccc(N)n1 ZINC000135415425 353560452 /nfs/dbraw/zinc/56/04/52/353560452.db2.gz BQRBECVGNIUHSG-LLVKDONJSA-N 0 0 247.342 2.459 10 0 BEAERN Nc1ccc(-c2csc(C=O)c2)cn1 ZINC000095495501 353569254 /nfs/dbraw/zinc/56/92/54/353569254.db2.gz ODKLBPDOGYRUEU-UHFFFAOYSA-N 0 0 204.254 2.205 10 0 BEAERN NC(=S)c1cccc(OCc2ccccn2)c1 ZINC000019504149 188460391 /nfs/dbraw/zinc/46/03/91/188460391.db2.gz LEJOXUXZDOFFET-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN NC(=S)c1ccc(Nc2ccccc2)nc1 ZINC000019440151 188460626 /nfs/dbraw/zinc/46/06/26/188460626.db2.gz PDQAXMSRGUOUHC-UHFFFAOYSA-N 0 0 229.308 2.459 10 0 BEAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCCO ZINC000032530629 188466209 /nfs/dbraw/zinc/46/62/09/188466209.db2.gz ZUCJSIVHIRYHGX-UHFFFAOYSA-N 0 0 245.322 2.309 10 0 BEAERN CC(C)(C)[C@H](N)c1noc(-c2ccoc2)n1 ZINC000041052679 188475444 /nfs/dbraw/zinc/47/54/44/188475444.db2.gz NPFOXLFKYDDKTF-MRVPVSSYSA-N 0 0 221.260 2.376 10 0 BEAERN Cc1cc(N)n(Cc2ccc(C)c(C)c2)n1 ZINC000043664762 188478818 /nfs/dbraw/zinc/47/88/18/188478818.db2.gz WFYDVZXUGFMQRY-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN CCCCC[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432933 168720849 /nfs/dbraw/zinc/72/08/49/168720849.db2.gz GIKFSHVRIJEJKK-SNVBAGLBSA-N 0 0 201.310 2.266 10 0 BEAERN Cc1cc(N)n(Cc2ccc(C)s2)n1 ZINC000043664738 188479144 /nfs/dbraw/zinc/47/91/44/188479144.db2.gz JLPWJIUFBCIPDA-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN Cc1cc(N[C@@H](C)C(=O)N(C)C)ccc1F ZINC000061096948 188485619 /nfs/dbraw/zinc/48/56/19/188485619.db2.gz PIAQVJNOMFYNGZ-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN CCCn1ccnc(N[C@H](C)[C@@H](C)CC)c1=O ZINC000061764680 188485765 /nfs/dbraw/zinc/48/57/65/188485765.db2.gz MJCUDNJGBGSIAJ-WDEREUQCSA-N 0 0 237.347 2.500 10 0 BEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC1(C)CC1 ZINC000577928972 366104750 /nfs/dbraw/zinc/10/47/50/366104750.db2.gz VXHNZHYNOBGXSZ-JTQLQIEISA-N 0 0 227.348 2.449 10 0 BEAERN CCc1nn2c3c(nc2s1)CCCC3 ZINC000232278928 353711010 /nfs/dbraw/zinc/71/10/10/353711010.db2.gz OQFCIYODGLGRCA-UHFFFAOYSA-N 0 0 207.302 2.232 10 0 BEAERN Fc1cccc(Cn2cn[nH]c2=S)c1 ZINC000020583646 181000217 /nfs/dbraw/zinc/00/02/17/181000217.db2.gz HWHJEOYRIUYSMZ-UHFFFAOYSA-N 0 0 209.249 2.128 10 0 BEAERN Fc1cccc(F)c1NCc1csnn1 ZINC000036902168 181001084 /nfs/dbraw/zinc/00/10/84/181001084.db2.gz JWVWZXPSXUWRBM-UHFFFAOYSA-N 0 0 227.239 2.428 10 0 BEAERN Fc1cccc(F)c1NCc1cc[nH]n1 ZINC000036900288 181001128 /nfs/dbraw/zinc/00/11/28/181001128.db2.gz LKIQVKONSCGJFU-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN Fc1cccc(NCCOC2CCOCC2)c1 ZINC000053590958 181001755 /nfs/dbraw/zinc/00/17/55/181001755.db2.gz VATOAYICNJYWCM-UHFFFAOYSA-N 0 0 239.290 2.433 10 0 BEAERN CC1(C)C[C@H]1c1nnc2ccc(Cl)nn21 ZINC000232831263 353720597 /nfs/dbraw/zinc/72/05/97/353720597.db2.gz MROBFMCWGASJRB-LURJTMIESA-N 0 0 222.679 2.291 10 0 BEAERN Cc1ccc(CNC(=O)c2ccc(N)c(C)c2)o1 ZINC000053035383 188483283 /nfs/dbraw/zinc/48/32/83/188483283.db2.gz ADOMKYFQTQLPTK-UHFFFAOYSA-N 0 0 244.294 2.409 10 0 BEAERN CNc1ccc(C)cc1C(=O)NCC1CC1 ZINC000053000303 188483501 /nfs/dbraw/zinc/48/35/01/188483501.db2.gz QDLHLUYHNHYGFS-UHFFFAOYSA-N 0 0 218.300 2.177 10 0 BEAERN Fc1ccccc1CCNc1cccnn1 ZINC000052815884 181012055 /nfs/dbraw/zinc/01/20/55/181012055.db2.gz PVEWVEUSKUOVBN-UHFFFAOYSA-N 0 0 217.247 2.270 10 0 BEAERN CC(C)[C@@H](O)Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232697411 353750272 /nfs/dbraw/zinc/75/02/72/353750272.db2.gz ZJKUMHQWULBPTB-IUCAKERBSA-N 0 0 224.304 2.143 10 0 BEAERN CC(=O)Nc1cc(N)c(C)cc1Br ZINC000160215089 353736445 /nfs/dbraw/zinc/73/64/45/353736445.db2.gz GZGWYXVSZDDAES-UHFFFAOYSA-N 0 0 243.104 2.298 10 0 BEAERN CNc1cncc(OC2CC2)c1SC ZINC000095729814 188499364 /nfs/dbraw/zinc/49/93/64/188499364.db2.gz UEAGBBMCZTZAAR-UHFFFAOYSA-N 0 0 210.302 2.386 10 0 BEAERN CCC[C@H]1C[C@H]1NC1N=NC(=S)S1 ZINC000233441691 353816101 /nfs/dbraw/zinc/81/61/01/353816101.db2.gz KPOBNMOMWGSCKG-NTSWFWBYSA-N 0 0 215.347 2.427 10 0 BEAERN CC1(CNC2N=NC(=S)S2)CC1 ZINC000232845873 353789398 /nfs/dbraw/zinc/78/93/98/353789398.db2.gz DDTNJWNHFVNCFR-UHFFFAOYSA-N 0 0 201.320 2.039 10 0 BEAERN CC(C)[C@@H](C)Sc1nsc(N)n1 ZINC000232841990 353792138 /nfs/dbraw/zinc/79/21/38/353792138.db2.gz LGAUZKJWKCFNDY-RXMQYKEDSA-N 0 0 203.336 2.257 10 0 BEAERN COc1cncc(CN[C@@H](C)c2ncc(C)o2)c1 ZINC000343776168 353986056 /nfs/dbraw/zinc/98/60/56/353986056.db2.gz CUELHRFMTJRGQH-JTQLQIEISA-N 0 0 247.298 2.237 10 0 BEAERN CC(C)CC(=O)N(C)c1ccc(O)cc1 ZINC000020210573 188533277 /nfs/dbraw/zinc/53/32/77/188533277.db2.gz OGZWOQZUUYXFAT-UHFFFAOYSA-N 0 0 207.273 2.401 10 0 BEAERN C/C=C\C=C/C(=O)NCc1ccccc1OC ZINC000097987752 188546353 /nfs/dbraw/zinc/54/63/53/188546353.db2.gz AQZUILYXRKCLAP-QQTPKPIZSA-N 0 0 231.295 2.444 10 0 BEAERN Cc1c(N)n[nH]c1[C@H]1CCC(F)(F)C1 ZINC000301011316 363294310 /nfs/dbraw/zinc/29/43/10/363294310.db2.gz OGJAVKAAJUHBFW-LURJTMIESA-N 0 0 201.220 2.203 10 0 BEAERN CSC[C@H](C)C(=O)Nc1nccnc1Cl ZINC000301003943 363285497 /nfs/dbraw/zinc/28/54/97/363285497.db2.gz WINXHAZXDOUQEG-LURJTMIESA-N 0 0 245.735 2.068 10 0 BEAERN COc1cccc([C@]2(O)CCSC2)c1 ZINC000084390779 259451720 /nfs/dbraw/zinc/45/17/20/259451720.db2.gz OHSJEZSGADRNCK-NSHDSACASA-N 0 0 210.298 2.020 10 0 BEAERN CCOC[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000231527952 363343964 /nfs/dbraw/zinc/34/39/64/363343964.db2.gz MDSUMNITKHDLFO-WCBMZHEXSA-N 0 0 212.293 2.059 10 0 BEAERN Cc1cnc([C@H](C)NCc2cc[nH]c2)o1 ZINC000231529370 363345034 /nfs/dbraw/zinc/34/50/34/363345034.db2.gz UVVHPZNGUCBGES-VIFPVBQESA-N 0 0 205.261 2.162 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)NC1CCCC1 ZINC000231677451 363347805 /nfs/dbraw/zinc/34/78/05/363347805.db2.gz JYVIKXQGMFGPKA-GXSJLCMTSA-N 0 0 210.321 2.417 10 0 BEAERN CNc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000334585648 354209197 /nfs/dbraw/zinc/20/91/97/354209197.db2.gz SXCSTHYVJDGBMW-GWCFXTLKSA-N 0 0 230.311 2.353 10 0 BEAERN CNc1ccccc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000334585660 354209400 /nfs/dbraw/zinc/20/94/00/354209400.db2.gz SXCSTHYVJDGBMW-ZWNOBZJWSA-N 0 0 230.311 2.353 10 0 BEAERN CCCC(=O)Nc1nc(C)cc(Cl)n1 ZINC000232905303 354259868 /nfs/dbraw/zinc/25/98/68/354259868.db2.gz CYDAWABETOOVSJ-UHFFFAOYSA-N 0 0 213.668 2.177 10 0 BEAERN Cc1nc(C)c(F)c(N2CC[C@@H](C)[C@H]2C)n1 ZINC000334664211 354464955 /nfs/dbraw/zinc/46/49/55/354464955.db2.gz NENCUOFJIZUTQP-VXNVDRBHSA-N 0 0 223.295 2.467 10 0 BEAERN O=C(C1=CCCC1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334750255 354475005 /nfs/dbraw/zinc/47/50/05/354475005.db2.gz HWKZYBBXVXRFBF-STQMWFEESA-N 0 0 247.338 2.124 10 0 BEAERN Fc1cccnc1N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334730891 354531361 /nfs/dbraw/zinc/53/13/61/354531361.db2.gz OYORJUJQNIZUHK-ZYHUDNBSSA-N 0 0 248.301 2.226 10 0 BEAERN CSC1(C[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000334711624 354508220 /nfs/dbraw/zinc/50/82/20/354508220.db2.gz UREPMVKSLVTOIN-GHMZBOCLSA-N 0 0 229.389 2.381 10 0 BEAERN Cc1ccnc(N2C[C@H](C)C[C@@H](O)C2)c1Cl ZINC000334812641 354569899 /nfs/dbraw/zinc/56/98/99/354569899.db2.gz KIVHHPIAAKSBAE-PSASIEDQSA-N 0 0 240.734 2.251 10 0 BEAERN FC(F)(F)CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334795341 354549127 /nfs/dbraw/zinc/54/91/27/354549127.db2.gz GZESCKHZRPUTNZ-IUCAKERBSA-N 0 0 235.249 2.050 10 0 BEAERN FC(F)(F)CN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334795335 354549467 /nfs/dbraw/zinc/54/94/67/354549467.db2.gz GZESCKHZRPUTNZ-BDAKNGLRSA-N 0 0 235.249 2.050 10 0 BEAERN COc1nc(Cl)c(/C=C(\C)CO)s1 ZINC000308204929 354872772 /nfs/dbraw/zinc/87/27/72/354872772.db2.gz SDGFILRRHHBWGI-HWKANZROSA-N 0 0 219.693 2.201 10 0 BEAERN O=N/N=c1/sc2cccc3c2n1CCC3 ZINC000584658887 491070641 /nfs/dbraw/zinc/07/06/41/491070641.db2.gz NLLPVWBMVWNFRY-ZHACJKMWSA-N 0 0 219.269 2.231 10 0 BEAERN CC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000335212133 355049590 /nfs/dbraw/zinc/04/95/90/355049590.db2.gz CGPNOZDVDKVSID-RYUDHWBXSA-N 0 0 237.343 2.347 10 0 BEAERN Cc1cccnc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000335221634 355061803 /nfs/dbraw/zinc/06/18/03/355061803.db2.gz UXMRKXTYTRKTPL-GHMZBOCLSA-N 0 0 231.299 2.406 10 0 BEAERN CO[C@@H](CNc1nccnc1C(C)C)C(C)C ZINC000413163412 191359909 /nfs/dbraw/zinc/35/99/09/191359909.db2.gz DWYZCFJWHVUOFZ-NSHDSACASA-N 0 0 237.347 2.105 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CCCS1 ZINC000413188484 191362462 /nfs/dbraw/zinc/36/24/62/191362462.db2.gz USXIRBZLJGKYFW-JTQLQIEISA-N 0 0 237.372 2.329 10 0 BEAERN CC[C@H](O)CCNc1nccnc1C(C)C ZINC000413204546 191363051 /nfs/dbraw/zinc/36/30/51/191363051.db2.gz PUCJFJCCOXZNLR-JTQLQIEISA-N 0 0 223.320 2.173 10 0 BEAERN CCc1cnc(CNc2nccnc2C(C)C)o1 ZINC000413241208 191363873 /nfs/dbraw/zinc/36/38/73/191363873.db2.gz XWDRFSDSARWELO-UHFFFAOYSA-N 0 0 246.314 2.184 10 0 BEAERN Cc1cnc([C@H](C)Nc2nccnc2C(C)C)o1 ZINC000413243704 191365623 /nfs/dbraw/zinc/36/56/23/191365623.db2.gz VSDVPQCKNLPZCX-JTQLQIEISA-N 0 0 246.314 2.491 10 0 BEAERN CC(C)c1nccnc1N1CC[C@@H](O)C(C)(C)C1 ZINC000413245228 191366116 /nfs/dbraw/zinc/36/61/16/191366116.db2.gz JFDINADVBWFZGG-LLVKDONJSA-N 0 0 249.358 2.197 10 0 BEAERN CSC1(CNc2nccnc2C(C)C)CC1 ZINC000413270269 191368386 /nfs/dbraw/zinc/36/83/86/191368386.db2.gz QNOOKTPXBIPVHR-UHFFFAOYSA-N 0 0 237.372 2.329 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CC[C@H](C)O1 ZINC000413369773 191377000 /nfs/dbraw/zinc/37/70/00/191377000.db2.gz BUUTYGIPKDEENK-QWRGUYRKSA-N 0 0 235.331 2.001 10 0 BEAERN CCC(=O)c1cccc(-n2ccnc2)c1 ZINC000059495152 355311009 /nfs/dbraw/zinc/31/10/09/355311009.db2.gz BFBBFDGNHKNWPJ-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN Cc1ccc([C@H](NN)C(F)F)c(C)c1 ZINC000229800684 355371846 /nfs/dbraw/zinc/37/18/46/355371846.db2.gz DPOKTVDFSRAPBK-VIFPVBQESA-N 0 0 200.232 2.073 10 0 BEAERN OCC[C@H](NO)c1ccc(Cl)cc1Cl ZINC000308380734 355383963 /nfs/dbraw/zinc/38/39/63/355383963.db2.gz TWZVOAMQXQMKAB-VIFPVBQESA-N 0 0 236.098 2.396 10 0 BEAERN O=C(c1cc(F)ccc1O)N1C[C@H]2CCC[C@H]21 ZINC000335777560 355403088 /nfs/dbraw/zinc/40/30/88/355403088.db2.gz JBQQHDIZTBFJDM-LDYMZIIASA-N 0 0 235.258 2.156 10 0 BEAERN O=C(c1cc(F)ccc1O)N1C[C@@H]2CCC[C@@H]21 ZINC000335777558 355403139 /nfs/dbraw/zinc/40/31/39/355403139.db2.gz JBQQHDIZTBFJDM-KWQFWETISA-N 0 0 235.258 2.156 10 0 BEAERN Cn1c(Cl)cnc1C(=O)c1ccccc1 ZINC000032500035 355422082 /nfs/dbraw/zinc/42/20/82/355422082.db2.gz FYHBVASFEUBGJM-UHFFFAOYSA-N 0 0 220.659 2.305 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000126016932 324674575 /nfs/dbraw/zinc/67/45/75/324674575.db2.gz GIHMNXPMTLBTEQ-QWRGUYRKSA-N 0 0 227.348 2.306 10 0 BEAERN CC1(CNC(=O)N2C[C@@H]3CCC[C@@H]32)CCC1 ZINC000335828487 355555188 /nfs/dbraw/zinc/55/51/88/355555188.db2.gz YRMHIKZWDPEHGA-QWRGUYRKSA-N 0 0 222.332 2.371 10 0 BEAERN N=C1NC(=Nc2ccccc2N)c2ccccc21 ZINC000039253651 181206670 /nfs/dbraw/zinc/20/66/70/181206670.db2.gz MPRKTWYKECJLFN-UHFFFAOYSA-N 0 0 236.278 2.466 10 0 BEAERN COc1cc(CN[C@@H]2CCc3ccccc32)on1 ZINC000639323726 355717284 /nfs/dbraw/zinc/71/72/84/355717284.db2.gz GXMXRGFYADNOKA-CYBMUJFWSA-N 0 0 244.294 2.460 10 0 BEAERN OCCSc1ncc(Cl)cc1Cl ZINC000035082337 355797799 /nfs/dbraw/zinc/79/77/99/355797799.db2.gz SKCMSBWETHLLSN-UHFFFAOYSA-N 0 0 224.112 2.473 10 0 BEAERN CCc1nn(C)cc1-c1cc(Cl)on1 ZINC000160271159 355804964 /nfs/dbraw/zinc/80/49/64/355804964.db2.gz XDUAGUWZTLZFSW-UHFFFAOYSA-N 0 0 211.652 2.291 10 0 BEAERN N[C@H](c1ccc(Br)o1)C1=CCCO1 ZINC000168467166 355840882 /nfs/dbraw/zinc/84/08/82/355840882.db2.gz KFJCQBGRBHBWRX-VIFPVBQESA-N 0 0 244.088 2.346 10 0 BEAERN COC(=O)c1cccc(C#N)c1OC(C)C ZINC000390388426 356003894 /nfs/dbraw/zinc/00/38/94/356003894.db2.gz GEUFWJJWSFXULS-UHFFFAOYSA-N 0 0 219.240 2.132 10 0 BEAERN CCC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(C)o1 ZINC000216490386 356064159 /nfs/dbraw/zinc/06/41/59/356064159.db2.gz FMSCYWCUYFHTCY-NSHDSACASA-N 0 0 225.288 2.273 10 0 BEAERN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000185545218 535296807 /nfs/dbraw/zinc/29/68/07/535296807.db2.gz MJHBUSTUJYLPNF-MNXVOIDGSA-N 0 0 239.359 2.352 10 0 BEAERN NC(=O)NCCOc1c(Cl)cccc1Cl ZINC000033639076 181257622 /nfs/dbraw/zinc/25/76/22/181257622.db2.gz DNGGVVZOBSEDOT-UHFFFAOYSA-N 0 0 249.097 2.041 10 0 BEAERN NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151250797 181260852 /nfs/dbraw/zinc/26/08/52/181260852.db2.gz WBLIHMRWXUXLSA-LLVKDONJSA-N 0 0 246.310 2.491 10 0 BEAERN NC(=O)Nc1ccc(NC2CCC2)cc1 ZINC000044481626 181262855 /nfs/dbraw/zinc/26/28/55/181262855.db2.gz IZWYVYFZFYOYIQ-UHFFFAOYSA-N 0 0 205.261 2.142 10 0 BEAERN NC(=O)[C@@H](Nc1cccc(F)c1)[C@H]1CC=CCC1 ZINC000037945059 181266626 /nfs/dbraw/zinc/26/66/26/181266626.db2.gz VAPCKQBOKAAORE-GWCFXTLKSA-N 0 0 248.301 2.448 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(O)c1C ZINC000396093343 356452411 /nfs/dbraw/zinc/45/24/11/356452411.db2.gz GXNGYBJFJPLFAT-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN COC(=O)c1cc(C#N)cc(F)c1C(F)F ZINC000396159706 356463077 /nfs/dbraw/zinc/46/30/77/356463077.db2.gz XKNLNYGUMKYZRE-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN O=C(c1ccc(F)cc1)[C@@H](O)c1ccncc1 ZINC000141320712 356463785 /nfs/dbraw/zinc/46/37/85/356463785.db2.gz MBCZUXVTIWVZST-ZDUSSCGKSA-N 0 0 231.226 2.137 10 0 BEAERN CN1CCc2cc3nc(C#N)sc3cc21 ZINC000142103233 356467736 /nfs/dbraw/zinc/46/77/36/356467736.db2.gz RESLCXJZBAZOEA-UHFFFAOYSA-N 0 0 215.281 2.160 10 0 BEAERN O=c1[nH]n(Cc2ccccc2)c2c1CCCC2 ZINC000143448393 356472778 /nfs/dbraw/zinc/47/27/78/356472778.db2.gz JRIUQTYSPPEQLO-UHFFFAOYSA-N 0 0 228.295 2.104 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)c1ccccc1F ZINC000037941947 181278091 /nfs/dbraw/zinc/27/80/91/181278091.db2.gz DKNKIJOLMGOPGE-CYBMUJFWSA-N 0 0 244.269 2.464 10 0 BEAERN NC(=O)[C@H](Nc1cccc(F)c1)[C@H]1CC=CCC1 ZINC000037945060 181278205 /nfs/dbraw/zinc/27/82/05/181278205.db2.gz VAPCKQBOKAAORE-GXFFZTMASA-N 0 0 248.301 2.448 10 0 BEAERN CONC(=O)Nc1ccccc1Br ZINC000006180299 356534108 /nfs/dbraw/zinc/53/41/08/356534108.db2.gz FKAZXCPBNQNQKM-UHFFFAOYSA-N 0 0 245.076 2.132 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ncnc3sccc32)C1 ZINC000613538492 363479299 /nfs/dbraw/zinc/47/92/99/363479299.db2.gz SCFHVIKJOIJDST-RKDXNWHRSA-N 0 0 249.339 2.407 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ncnc3ccccc32)C1 ZINC000613537950 363479339 /nfs/dbraw/zinc/47/93/39/363479339.db2.gz KWXGDSSSPVWHDT-QWRGUYRKSA-N 0 0 243.310 2.345 10 0 BEAERN CCN(c1ccc(C(F)(F)F)nn1)C1CC1 ZINC000301925546 356592656 /nfs/dbraw/zinc/59/26/56/356592656.db2.gz MNTWWDOPFSLVNG-UHFFFAOYSA-N 0 0 231.221 2.484 10 0 BEAERN CC(=O)[C@H]1Cc2cc(Cl)ccc2C(=O)O1 ZINC000125246179 538467147 /nfs/dbraw/zinc/46/71/47/538467147.db2.gz SSROGMJXCROKIY-SNVBAGLBSA-N 0 0 224.643 2.011 10 0 BEAERN Cc1cc(C2OCCO2)c(C)cc1C=O ZINC000675050825 538472906 /nfs/dbraw/zinc/47/29/06/538472906.db2.gz PMRJAELZFWZENL-UHFFFAOYSA-N 0 0 206.241 2.161 10 0 BEAERN Cc1cc2nc(C(N)=S)oc2c(C)c1 ZINC000675057960 538480944 /nfs/dbraw/zinc/48/09/44/538480944.db2.gz OIIHLKKDSRNCHB-UHFFFAOYSA-N 0 0 206.270 2.079 10 0 BEAERN C[C@H]1C[C@H]([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000675059259 538484174 /nfs/dbraw/zinc/48/41/74/538484174.db2.gz FMVPZHCQTVWAQO-QWQWKMKNSA-N 0 0 239.359 2.369 10 0 BEAERN Cc1ccccc1[C@@H]1CC[C@@H](CO)OC1 ZINC000675058427 538481771 /nfs/dbraw/zinc/48/17/71/538481771.db2.gz FSBKMGPWYDSAKL-NEPJUHHUSA-N 0 0 206.285 2.250 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H](C2CCC(F)(F)CC2)C1 ZINC000675059279 538483712 /nfs/dbraw/zinc/48/37/12/538483712.db2.gz FTFMWRDHHFCTLQ-VHSXEESVSA-N 0 0 247.285 2.122 10 0 BEAERN CCn1nccc1-c1ccc(F)c(N)c1F ZINC000675056544 538478862 /nfs/dbraw/zinc/47/88/62/538478862.db2.gz MUNTWMCPGAZYQR-UHFFFAOYSA-N 0 0 223.226 2.430 10 0 BEAERN Cc1ccc(F)cc1-c1c(N)cnn1C ZINC000675068560 538496868 /nfs/dbraw/zinc/49/68/68/538496868.db2.gz BNXDJEPJMVNPME-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN CC(=O)[C@H]1COc2cc(C)c(C)cc2C1 ZINC000675063460 538490040 /nfs/dbraw/zinc/49/00/40/538490040.db2.gz FPZVQKMSGHORGA-GFCCVEGCSA-N 0 0 204.269 2.444 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](C(C)=O)CO2 ZINC000675063826 538490491 /nfs/dbraw/zinc/49/04/91/538490491.db2.gz PMGBZVCPADGCKQ-NSHDSACASA-N 0 0 220.268 2.225 10 0 BEAERN COc1cc(C)cc2c1OC[C@H](C(C)=O)C2 ZINC000675063843 538490610 /nfs/dbraw/zinc/49/06/10/538490610.db2.gz PWPOZQDOWINTOC-LLVKDONJSA-N 0 0 220.268 2.144 10 0 BEAERN CC(C)[C@@H]1CCc2c(c[nH+]c(N)c2C(=O)[O-])C1 ZINC000675064084 538490958 /nfs/dbraw/zinc/49/09/58/538490958.db2.gz VHZFUFILKQBNBC-MRVPVSSYSA-N 0 0 234.299 2.123 10 0 BEAERN COc1ccc(OC)c(Br)c1N ZINC000216825118 356657959 /nfs/dbraw/zinc/65/79/59/356657959.db2.gz UHJFUVCPMQGVIH-UHFFFAOYSA-N 0 0 232.077 2.049 10 0 BEAERN FC(F)(F)c1ccc2nnc(Cl)n2c1 ZINC000675067591 538495283 /nfs/dbraw/zinc/49/52/83/538495283.db2.gz KLEPJHCKCSPKBZ-UHFFFAOYSA-N 0 0 221.569 2.402 10 0 BEAERN Cc1cn2c(n1)[C@H](CC(F)(F)F)NCCC2 ZINC000675068098 538495605 /nfs/dbraw/zinc/49/56/05/538495605.db2.gz MPIJNVKLSHGQOJ-QMMMGPOBSA-N 0 0 233.237 2.178 10 0 BEAERN Cn1ncc(N)c1-c1ccc(Cl)cc1F ZINC000675070086 538500151 /nfs/dbraw/zinc/50/01/51/538500151.db2.gz LIACPZKIAZRITQ-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN COC(=O)c1nc(N[C@@H]2C[C@@H]2C)sc1C ZINC000167761571 134153583 /nfs/dbraw/zinc/15/35/83/134153583.db2.gz PSNXKWAARNJIMB-CAHLUQPWSA-N 0 0 226.301 2.058 10 0 BEAERN CNc1cccc(-c2cnn3c2NCCC3)c1 ZINC000675073435 538505734 /nfs/dbraw/zinc/50/57/34/538505734.db2.gz XHVGCOBMIRAXKF-UHFFFAOYSA-N 0 0 228.299 2.407 10 0 BEAERN CCCCC[C@H]1[NH2+][C@H](CC(=O)[O-])CS1 ZINC000675078214 538515161 /nfs/dbraw/zinc/51/51/61/538515161.db2.gz CEKSYUHAMKWVJI-BDAKNGLRSA-N 0 0 217.334 2.073 10 0 BEAERN CCc1cc(NC(=O)[C@H]2CCC[C@H]2C)n[nH]1 ZINC000230183020 491100860 /nfs/dbraw/zinc/10/08/60/491100860.db2.gz KRVFMURGPCTNAC-SCZZXKLOSA-N 0 0 221.304 2.347 10 0 BEAERN Nc1ncn(Cc2cc(Cl)ccc2Cl)n1 ZINC000083698536 538518637 /nfs/dbraw/zinc/51/86/37/538518637.db2.gz SIXHWHBBPNVANE-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Cc1ccc2c(n1)C[C@H](C(=O)CC1CC1)O2 ZINC000675081090 538521240 /nfs/dbraw/zinc/52/12/40/538521240.db2.gz GGPQYNDGYCDQNW-CYBMUJFWSA-N 0 0 217.268 2.063 10 0 BEAERN CC(C)C(=O)[C@H]1Cc2ccc(F)c(F)c2O1 ZINC000675081251 538521329 /nfs/dbraw/zinc/52/13/29/538521329.db2.gz OHSBBPFUCOLSMU-SECBINFHSA-N 0 0 226.222 2.493 10 0 BEAERN COC(=O)CC[C@H]1CNc2ccccc2C1 ZINC000084780366 538533642 /nfs/dbraw/zinc/53/36/42/538533642.db2.gz ISOSGXXXRXQYAK-SNVBAGLBSA-N 0 0 219.284 2.224 10 0 BEAERN CCOc1nc2c(cc(Cl)cc2N)[nH]1 ZINC000160390180 356697608 /nfs/dbraw/zinc/69/76/08/356697608.db2.gz DVBGGELKRCUNAM-UHFFFAOYSA-N 0 0 211.652 2.197 10 0 BEAERN NNCc1cccc(Br)c1Cl ZINC000160389539 356697883 /nfs/dbraw/zinc/69/78/83/356697883.db2.gz YEQCAPXAJJJALL-UHFFFAOYSA-N 0 0 235.512 2.066 10 0 BEAERN CCOC(=O)c1nc(C(C)C)sc1N ZINC000084855910 538535929 /nfs/dbraw/zinc/53/59/29/538535929.db2.gz XDXUHFZYXWTWSI-UHFFFAOYSA-N 0 0 214.290 2.025 10 0 BEAERN Cc1ccccc1C(=O)CSCCCO ZINC000085163982 538536136 /nfs/dbraw/zinc/53/61/36/538536136.db2.gz DYECRVZSKHHAPN-UHFFFAOYSA-N 0 0 224.325 2.293 10 0 BEAERN O=C(CSCCCO)c1cccc(F)c1 ZINC000085163988 538536615 /nfs/dbraw/zinc/53/66/15/538536615.db2.gz VJQLZURLNIWGOQ-UHFFFAOYSA-N 0 0 228.288 2.124 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCCCC2(C)C ZINC000086849324 538560595 /nfs/dbraw/zinc/56/05/95/538560595.db2.gz RWPXEUMNTLGQRS-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN CN(C)Cc1nc(Cl)c2c(n1)CCCC2 ZINC000085792346 538546750 /nfs/dbraw/zinc/54/67/50/538546750.db2.gz KICMEZTWXDGVKJ-UHFFFAOYSA-N 0 0 225.723 2.070 10 0 BEAERN O=C(CSC1COC1)c1cccc(F)c1 ZINC000086195478 538551686 /nfs/dbraw/zinc/55/16/86/538551686.db2.gz SWOWKIPGNYRMLS-UHFFFAOYSA-N 0 0 226.272 2.140 10 0 BEAERN O=Cc1cccc(-c2nnc(C(F)F)o2)c1 ZINC000675082655 538523702 /nfs/dbraw/zinc/52/37/02/538523702.db2.gz SVVOEJYIHHNKBB-UHFFFAOYSA-N 0 0 224.166 2.487 10 0 BEAERN O=Cc1cccc(-c2nnc(C3CC3)o2)c1 ZINC000675082690 538523861 /nfs/dbraw/zinc/52/38/61/538523861.db2.gz XHLUVHYBXPYYTB-UHFFFAOYSA-N 0 0 214.224 2.427 10 0 BEAERN CC(=O)c1ccc(-c2cncc(C=O)c2)o1 ZINC000675082684 538524644 /nfs/dbraw/zinc/52/46/44/538524644.db2.gz WTRGUPXFHYSDTH-UHFFFAOYSA-N 0 0 215.208 2.357 10 0 BEAERN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000130281590 325034529 /nfs/dbraw/zinc/03/45/29/325034529.db2.gz PBXFZJJNSMHGJP-UWVGGRQHSA-N 0 0 237.299 2.146 10 0 BEAERN CCSCCn1nc(CC)c(N)c1CC ZINC000129125684 538572828 /nfs/dbraw/zinc/57/28/28/538572828.db2.gz SZSQJOQLALABOD-UHFFFAOYSA-N 0 0 227.377 2.343 10 0 BEAERN CC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000222449616 538575882 /nfs/dbraw/zinc/57/58/82/538575882.db2.gz LMNSPUSPSMXCNE-LBPRGKRZSA-N 0 0 227.304 2.365 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000089570674 538581964 /nfs/dbraw/zinc/58/19/64/538581964.db2.gz PDRCKPIVSQXTMS-SKDRFNHKSA-N 0 0 246.310 2.151 10 0 BEAERN CC(C)C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000223629797 538593201 /nfs/dbraw/zinc/59/32/01/538593201.db2.gz JWUBRICPGIKSIM-UHFFFAOYSA-N 0 0 241.331 2.469 10 0 BEAERN C[C@@H]1CC[C@@H](c2nc(-c3cncs3)no2)O1 ZINC000350907514 366367798 /nfs/dbraw/zinc/36/77/98/366367798.db2.gz GOFOCYAHMPZHKH-RQJHMYQMSA-N 0 0 237.284 2.433 10 0 BEAERN Nc1cn(Cc2ccc(Cl)s2)ccc1=O ZINC000133160292 538601854 /nfs/dbraw/zinc/60/18/54/538601854.db2.gz HZAKTYONEUEWRF-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN CCCCCCC1N=NC(=S)N1CCOC ZINC000133765473 538601969 /nfs/dbraw/zinc/60/19/69/538601969.db2.gz LAWLMKLLBMMNHN-UHFFFAOYSA-N 0 0 243.376 2.336 10 0 BEAERN CCOC(=O)c1noc(C2(C)CCCC2)n1 ZINC000087318930 538566749 /nfs/dbraw/zinc/56/67/49/538566749.db2.gz DQDJPFPEAOYAFG-UHFFFAOYSA-N 0 0 224.260 2.078 10 0 BEAERN Nc1cnn(Cc2ccc(Cl)cc2Cl)n1 ZINC000096986820 538617031 /nfs/dbraw/zinc/61/70/31/538617031.db2.gz QOFALCDTHRIEEK-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12C[C@@H](C)CC[C@@H]2C ZINC000227522868 538669983 /nfs/dbraw/zinc/66/99/83/538669983.db2.gz XZNCUFBYQKZXCO-GMOBBJLQSA-N 0 0 212.289 2.143 10 0 BEAERN C[C@@H](CC(=O)C1CC1)NC(=O)OC(C)(C)C ZINC000166409488 538729390 /nfs/dbraw/zinc/72/93/90/538729390.db2.gz HNSDLDGAZIXDLJ-QMMMGPOBSA-N 0 0 227.304 2.269 10 0 BEAERN Cc1ccc([C@H]2CC(=O)N2)c(Br)c1 ZINC000129805027 356967743 /nfs/dbraw/zinc/96/77/43/356967743.db2.gz LPAONNIKSCKEJK-SECBINFHSA-N 0 0 240.100 2.319 10 0 BEAERN S=c1[nH]ccn1CC[C@H]1CCCCO1 ZINC000223674562 356999421 /nfs/dbraw/zinc/99/94/21/356999421.db2.gz COKDCRPNUGXWIO-SECBINFHSA-N 0 0 212.318 2.131 10 0 BEAERN CC1CCC(C(=O)c2ccnnc2)CC1 ZINC000160459986 356982188 /nfs/dbraw/zinc/98/21/88/356982188.db2.gz APQGOXNNZKUZHH-UHFFFAOYSA-N 0 0 204.273 2.486 10 0 BEAERN NOCc1ccc(Br)cc1Cl ZINC000160515035 357029071 /nfs/dbraw/zinc/02/90/71/357029071.db2.gz YOMWHXOARAQTIP-UHFFFAOYSA-N 0 0 236.496 2.493 10 0 BEAERN CC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000258009045 538775083 /nfs/dbraw/zinc/77/50/83/538775083.db2.gz PHCPCQHUBHNIEP-UHFFFAOYSA-N 0 0 213.277 2.023 10 0 BEAERN CC(C)CNc1cc(Br)ncn1 ZINC000160522568 357034123 /nfs/dbraw/zinc/03/41/23/357034123.db2.gz AWLRITNPLYRAHI-UHFFFAOYSA-N 0 0 230.109 2.307 10 0 BEAERN Cc1nc(Br)cc(N(C)C(C)C)n1 ZINC000160510312 357020208 /nfs/dbraw/zinc/02/02/08/357020208.db2.gz GNPMFXHJABHYAQ-UHFFFAOYSA-N 0 0 244.136 2.392 10 0 BEAERN CC(C)n1c(C(F)(F)F)ccc(N)c1=O ZINC000258507867 538789215 /nfs/dbraw/zinc/78/92/15/538789215.db2.gz OPIMGWFIVSXNJH-UHFFFAOYSA-N 0 0 220.194 2.030 10 0 BEAERN COc1nn(C)cc1N[C@@H](C(C)C)C1CC1 ZINC000390639154 357109169 /nfs/dbraw/zinc/10/91/69/357109169.db2.gz MMNLKPGEGNHTGU-NSHDSACASA-N 0 0 223.320 2.275 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000156724253 538795445 /nfs/dbraw/zinc/79/54/45/538795445.db2.gz LEUAYPDBIKIQJQ-MXWKQRLJSA-N 0 0 242.363 2.286 10 0 BEAERN Cc1cc(=O)c2cc(C(=O)OC(C)C)ccc2[nH]1 ZINC000026462981 357136102 /nfs/dbraw/zinc/13/61/02/357136102.db2.gz DQXDNMBVBNHZJG-UHFFFAOYSA-N 0 0 245.278 2.402 10 0 BEAERN Cn1ccnc1Sc1csc(C=O)c1 ZINC000160622576 357139552 /nfs/dbraw/zinc/13/95/52/357139552.db2.gz ITLGBFIQNMGWCO-UHFFFAOYSA-N 0 0 224.310 2.445 10 0 BEAERN C[C@H]1S[C@@H]([C@H](O)C2CC2)CS[C@H]1C ZINC000300023500 357172822 /nfs/dbraw/zinc/17/28/22/357172822.db2.gz CTLZWFZXOYZLBG-MVHNUAHISA-N 0 0 218.387 2.383 10 0 BEAERN Cc1cccc(-c2nc(-c3cnccn3)n[nH]2)c1 ZINC000026507880 357159773 /nfs/dbraw/zinc/15/97/73/357159773.db2.gz RLOOVFGFOHGATO-UHFFFAOYSA-N 0 0 237.266 2.237 10 0 BEAERN c1cc(-c2noc(NC3CC3)n2)cs1 ZINC000053750760 357168705 /nfs/dbraw/zinc/16/87/05/357168705.db2.gz RVPUADMZGMXUII-UHFFFAOYSA-N 0 0 207.258 2.372 10 0 BEAERN Cc1ccsc1C(=O)c1cnn(C)c1 ZINC000035369277 357197372 /nfs/dbraw/zinc/19/73/72/357197372.db2.gz MKGZGXPJPLUOFT-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN OCC1(CNc2nsnc2Cl)CCCC1 ZINC000168765535 357226435 /nfs/dbraw/zinc/22/64/35/357226435.db2.gz CSWCLMYCOSRNNQ-UHFFFAOYSA-N 0 0 247.751 2.156 10 0 BEAERN C[C@H](O)Cc1sccc1Br ZINC000053784427 357180044 /nfs/dbraw/zinc/18/00/44/357180044.db2.gz VQBVDPGFVZXLIC-YFKPBYRVSA-N 0 0 221.119 2.434 10 0 BEAERN NC(=O)c1cc(NCCC2=CCCC2)ccn1 ZINC000132884275 181290644 /nfs/dbraw/zinc/29/06/44/181290644.db2.gz LGHPPDUXPRTPPT-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN NC(=O)c1cc(NCc2ccc[nH]2)ccc1Cl ZINC000051788669 181290852 /nfs/dbraw/zinc/29/08/52/181290852.db2.gz SAOLDOGJVRCGKY-UHFFFAOYSA-N 0 0 249.701 2.379 10 0 BEAERN OCC(F)(F)c1ncc(Cl)cc1Cl ZINC000218711105 357276937 /nfs/dbraw/zinc/27/69/37/357276937.db2.gz YEOZBOOBDFVCKC-UHFFFAOYSA-N 0 0 228.025 2.473 10 0 BEAERN Cc1n[nH]c2cc(Br)ccc2c1=O ZINC000527434620 538833272 /nfs/dbraw/zinc/83/32/72/538833272.db2.gz JFBPIJDXJLEDPM-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN NC(=O)c1cc(NCc2ccoc2)ccc1F ZINC000063047128 181291087 /nfs/dbraw/zinc/29/10/87/181291087.db2.gz FZOLEELROGPLTG-UHFFFAOYSA-N 0 0 234.230 2.130 10 0 BEAERN OCC[C@H]1CCN(c2nccc3occc32)C1 ZINC000230913317 357579670 /nfs/dbraw/zinc/57/96/70/357579670.db2.gz QYDCARQEOWIWBS-SNVBAGLBSA-N 0 0 232.283 2.037 10 0 BEAERN CO[C@H](C)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000189054700 357601931 /nfs/dbraw/zinc/60/19/31/357601931.db2.gz MKMMCCYJJWTJQC-RTXFEEFZSA-N 0 0 239.359 2.354 10 0 BEAERN CC(C)C1(CNC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000189167474 357608285 /nfs/dbraw/zinc/60/82/85/357608285.db2.gz MSHKRIBKQXKOOL-NWDGAFQWSA-N 0 0 239.359 2.354 10 0 BEAERN CCOC(CC(=O)c1cncs1)OCC ZINC000229143501 538881342 /nfs/dbraw/zinc/88/13/42/538881342.db2.gz JJFIIKVCVLHGEI-UHFFFAOYSA-N 0 0 229.301 2.115 10 0 BEAERN Cn1cc([C@@H]2CCCN2C(=O)OCC2CC2)cn1 ZINC000189591360 357644806 /nfs/dbraw/zinc/64/48/06/357644806.db2.gz PUIHEZZYKOOZPA-LBPRGKRZSA-N 0 0 249.314 2.104 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)C[C@H]1C(F)(F)F ZINC000685945678 538886772 /nfs/dbraw/zinc/88/67/72/538886772.db2.gz ASWATKRNDNOHEP-JGVFFNPUSA-N 0 0 238.205 2.097 10 0 BEAERN CC(C)CC(=O)NCC[C@H]1CCCC[C@@H]1O ZINC000685946980 538888619 /nfs/dbraw/zinc/88/86/19/538888619.db2.gz HODRZSSORVAEFD-NEPJUHHUSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@H]1CCCO[C@H]1C ZINC000189701798 357654691 /nfs/dbraw/zinc/65/46/91/357654691.db2.gz UDVGSHMDEVXADT-SRVKXCTJSA-N 0 0 227.348 2.352 10 0 BEAERN CCC(C)(C)C(=O)NCc1cccc(C)n1 ZINC000102636568 357660035 /nfs/dbraw/zinc/66/00/35/357660035.db2.gz MWDSYPPOLNFSTD-UHFFFAOYSA-N 0 0 220.316 2.442 10 0 BEAERN CC(C)CC1N=NC(=S)N1CC(F)(F)F ZINC000685949513 538892393 /nfs/dbraw/zinc/89/23/93/538892393.db2.gz BEHFPGYCBDDACW-UHFFFAOYSA-N 0 0 239.266 2.328 10 0 BEAERN S=C1N=NC(C2COC2)N1C1CCCCC1 ZINC000685950183 538893241 /nfs/dbraw/zinc/89/32/41/538893241.db2.gz RKDFJDMUBKIJMF-UHFFFAOYSA-N 0 0 239.344 2.186 10 0 BEAERN COC(=O)c1coc2cc(F)c(F)cc12 ZINC000685951838 538895273 /nfs/dbraw/zinc/89/52/73/538895273.db2.gz HYNIFOYNCVJFJD-UHFFFAOYSA-N 0 0 212.151 2.498 10 0 BEAERN COC(=O)[C@H]1COc2cc(F)c(Cl)cc21 ZINC000685951643 538895590 /nfs/dbraw/zinc/89/55/90/538895590.db2.gz DNFFLQNFGYEKDU-LURJTMIESA-N 0 0 230.622 2.128 10 0 BEAERN CC(C)[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189942086 357676876 /nfs/dbraw/zinc/67/68/76/357676876.db2.gz RXXUUPBDYPRNKV-SNVBAGLBSA-N 0 0 224.352 2.167 10 0 BEAERN CCCC1(CNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000189349982 357633631 /nfs/dbraw/zinc/63/36/31/357633631.db2.gz YDNLELWNWKTMML-VXGBXAGGSA-N 0 0 239.359 2.498 10 0 BEAERN CCCC1(CNC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000189350025 357633875 /nfs/dbraw/zinc/63/38/75/357633875.db2.gz YDNLELWNWKTMML-NWDGAFQWSA-N 0 0 239.359 2.498 10 0 BEAERN NC(=O)c1cc(OC2CCCCCC2)ccc1N ZINC000041081610 181292230 /nfs/dbraw/zinc/29/22/30/181292230.db2.gz RHUVGRBSLPAJGT-UHFFFAOYSA-N 0 0 248.326 2.469 10 0 BEAERN CCCCCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000190207286 357692512 /nfs/dbraw/zinc/69/25/12/357692512.db2.gz BIWWKXBWKPFBPU-WDEREUQCSA-N 0 0 213.321 2.108 10 0 BEAERN CCCCCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190207251 357692755 /nfs/dbraw/zinc/69/27/55/357692755.db2.gz BIWWKXBWKPFBPU-GHMZBOCLSA-N 0 0 213.321 2.108 10 0 BEAERN NC(=O)c1cc2cccc(Br)c2o1 ZINC000042351859 181292506 /nfs/dbraw/zinc/29/25/06/181292506.db2.gz CGAAGVDRKYHIBB-UHFFFAOYSA-N 0 0 240.056 2.294 10 0 BEAERN CCCCN(CC)C(=O)[C@H]1CCCO[C@H]1C ZINC000190435705 357707838 /nfs/dbraw/zinc/70/78/38/357707838.db2.gz GMMFQFPDFXHSKO-RYUDHWBXSA-N 0 0 227.348 2.450 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@H]1CCCO[C@H]1C ZINC000190456666 357708833 /nfs/dbraw/zinc/70/88/33/357708833.db2.gz DETHXSUVWXZSQH-AAEUAGOBSA-N 0 0 239.359 2.450 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190456633 357709225 /nfs/dbraw/zinc/70/92/25/357709225.db2.gz DETHXSUVWXZSQH-YPMHNXCESA-N 0 0 239.359 2.450 10 0 BEAERN CCCC(C)(C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190787668 357730990 /nfs/dbraw/zinc/73/09/90/357730990.db2.gz IHRWQFQVTMYARQ-WDEREUQCSA-N 0 0 227.348 2.496 10 0 BEAERN CCCN(C(=O)[C@H]1CCCO[C@@H]1C)C1CC1 ZINC000191254124 357759880 /nfs/dbraw/zinc/75/98/80/357759880.db2.gz LYSSWFUKQASBRA-PWSUYJOCSA-N 0 0 225.332 2.203 10 0 BEAERN CCCN(C(=O)[C@@H]1CCCO[C@H]1C)C1CC1 ZINC000191254133 357760038 /nfs/dbraw/zinc/76/00/38/357760038.db2.gz LYSSWFUKQASBRA-CMPLNLGQSA-N 0 0 225.332 2.203 10 0 BEAERN CCCCN(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000191737178 357792318 /nfs/dbraw/zinc/79/23/18/357792318.db2.gz GLMHFKPENIKOCU-QWRGUYRKSA-N 0 0 213.321 2.060 10 0 BEAERN CCCCN(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191737165 357792966 /nfs/dbraw/zinc/79/29/66/357792966.db2.gz GLMHFKPENIKOCU-WDEREUQCSA-N 0 0 213.321 2.060 10 0 BEAERN COc1ccc(C=O)c(O)c1OC(C)C ZINC000137789764 357994308 /nfs/dbraw/zinc/99/43/08/357994308.db2.gz TXLYCUXOBYCOFI-UHFFFAOYSA-N 0 0 210.229 2.001 10 0 BEAERN Cc1nc(C[C@@H]2CCOC2)nc(Cl)c1F ZINC000168930328 358000234 /nfs/dbraw/zinc/00/02/34/358000234.db2.gz XBYJRABKYIPJQJ-ZETCQYMHSA-N 0 0 230.670 2.157 10 0 BEAERN O=C(C[C@@H]1CCOC1)c1cccc(F)c1 ZINC000168936799 358001176 /nfs/dbraw/zinc/00/11/76/358001176.db2.gz MIXFRPIXJXYDOZ-VIFPVBQESA-N 0 0 208.232 2.435 10 0 BEAERN CCCNc1ccc(C(N)=S)c(F)c1 ZINC000169001572 358007633 /nfs/dbraw/zinc/00/76/33/358007633.db2.gz GCHZNAAKFANMQQ-UHFFFAOYSA-N 0 0 212.293 2.282 10 0 BEAERN CCOC(=O)c1cc2ccc(OC)cc2n1C ZINC000137874418 358009062 /nfs/dbraw/zinc/00/90/62/358009062.db2.gz OBBDJLAOXGGTIE-UHFFFAOYSA-N 0 0 233.267 2.364 10 0 BEAERN CCC[C@@H](N)c1nc(Cc2ccccc2)no1 ZINC000036830833 358053680 /nfs/dbraw/zinc/05/36/80/358053680.db2.gz YRSASFRLODTGAU-LLVKDONJSA-N 0 0 231.299 2.460 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)CCOC ZINC000133923833 325330656 /nfs/dbraw/zinc/33/06/56/325330656.db2.gz BPTNOXAXPJJGLT-NSHDSACASA-N 0 0 227.348 2.450 10 0 BEAERN Nc1ccc(OCc2ccccc2)c2nonc21 ZINC000035675775 358094727 /nfs/dbraw/zinc/09/47/27/358094727.db2.gz XJXTZADCHRUWFB-UHFFFAOYSA-N 0 0 241.250 2.384 10 0 BEAERN CCC(=O)[C@](C)(Cl)C(=O)OC(C)(C)C ZINC000584643555 358127332 /nfs/dbraw/zinc/12/73/32/358127332.db2.gz CJUZCVORBPEYKS-JTQLQIEISA-N 0 0 220.696 2.305 10 0 BEAERN CCCN(C(=O)N[C@@H](C)[C@H]1CCCO1)C1CC1 ZINC000171425300 134258381 /nfs/dbraw/zinc/25/83/81/134258381.db2.gz NHOAJJHADQKIAP-CMPLNLGQSA-N 0 0 240.347 2.138 10 0 BEAERN c1coc(CNc2nccc3nc[nH]c32)c1 ZINC000223000186 358213900 /nfs/dbraw/zinc/21/39/00/358213900.db2.gz WPYZNQDECAOQEZ-UHFFFAOYSA-N 0 0 214.228 2.163 10 0 BEAERN C=C(C)[C@@H]1CC=C(C)C(=O)[C@@H]1OCOC ZINC000039109022 358214675 /nfs/dbraw/zinc/21/46/75/358214675.db2.gz JOIKLCTUOMKGCA-CMPLNLGQSA-N 0 0 210.273 2.087 10 0 BEAERN CC(C)=CN1C(=O)c2ccccc2C1=O ZINC000039256075 358224476 /nfs/dbraw/zinc/22/44/76/358224476.db2.gz YQZAKMGKXXCWOK-UHFFFAOYSA-N 0 0 201.225 2.206 10 0 BEAERN CCOC(=O)C(C)(C)Oc1ccc(C=O)cc1 ZINC000039403471 358226790 /nfs/dbraw/zinc/22/67/90/358226790.db2.gz PJPRTYIHWYZTFC-UHFFFAOYSA-N 0 0 236.267 2.220 10 0 BEAERN COc1ccc([C@@H]2CCCC(=O)O2)cc1 ZINC000039319068 358222071 /nfs/dbraw/zinc/22/20/71/358222071.db2.gz FAYZDZYSVMJWAK-NSHDSACASA-N 0 0 206.241 2.463 10 0 BEAERN Cc1c(C)n(CCC(N)=O)c2ccccc12 ZINC000039291335 358222239 /nfs/dbraw/zinc/22/22/39/358222239.db2.gz HDHQLSJYWJHYEY-UHFFFAOYSA-N 0 0 216.284 2.134 10 0 BEAERN Cc1cc(C=O)ccc1[C@H](O)c1cccnc1 ZINC000039335692 358222605 /nfs/dbraw/zinc/22/26/05/358222605.db2.gz DBPMOVDYZKWWPU-CQSZACIVSA-N 0 0 227.263 2.284 10 0 BEAERN COC1=CC(=O)O/C1=C\c1ccc(F)cc1 ZINC000584611430 358275259 /nfs/dbraw/zinc/27/52/59/358275259.db2.gz FXEIKAOVLJSAQO-WDZFZDKYSA-N 0 0 220.199 2.254 10 0 BEAERN NC(=O)c1cc2cnccc2nc1-c1ccccc1 ZINC000584615985 358280894 /nfs/dbraw/zinc/28/08/94/358280894.db2.gz LIPRREZHTXRLCF-UHFFFAOYSA-N 0 0 249.273 2.396 10 0 BEAERN Cc1cc(=O)[nH]c2c(Br)cncc12 ZINC000584615954 358280925 /nfs/dbraw/zinc/28/09/25/358280925.db2.gz FQMQQJUYEAQWNT-UHFFFAOYSA-N 0 0 239.072 2.406 10 0 BEAERN COc1cccc2c1N(CCO)CC[C@H]2C ZINC000584612845 358276265 /nfs/dbraw/zinc/27/62/65/358276265.db2.gz NMVBFWQHTPUMAB-SNVBAGLBSA-N 0 0 221.300 2.001 10 0 BEAERN CC(=O)O[C@H](C(C)=O)c1ccccc1F ZINC000584613022 358277131 /nfs/dbraw/zinc/27/71/31/358277131.db2.gz KMDFYBRGJYPXAO-LLVKDONJSA-N 0 0 210.204 2.019 10 0 BEAERN S=C(Nc1ccccc1)N1CC2CCN1CC2 ZINC000584614508 358278954 /nfs/dbraw/zinc/27/89/54/358278954.db2.gz WQVVFINJPHKUIR-UHFFFAOYSA-N 0 0 247.367 2.326 10 0 BEAERN CC(=O)N[C@H]1CCCc2cc(C)c(C)cc2C1=O ZINC000584591191 358249944 /nfs/dbraw/zinc/24/99/44/358249944.db2.gz YPPXROQJPIXOSV-AWEZNQCLSA-N 0 0 245.322 2.327 10 0 BEAERN Nc1cccc(-c2ccc(C3OCCO3)nc2)c1 ZINC000584592611 358251077 /nfs/dbraw/zinc/25/10/77/358251077.db2.gz QNYBSFPMJFCNNQ-UHFFFAOYSA-N 0 0 242.278 2.376 10 0 BEAERN C[Si](C)(C)c1c(F)cc(N)cc1F ZINC000584592638 358251104 /nfs/dbraw/zinc/25/11/04/358251104.db2.gz UEQQUVQPJGFMMU-UHFFFAOYSA-N 0 0 201.292 2.092 10 0 BEAERN O=C1CC[C@@H](c2cc(F)ccc2F)C(=O)C1 ZINC000584615227 358279842 /nfs/dbraw/zinc/27/98/42/358279842.db2.gz VTJSDWNCSTUBRZ-VIFPVBQESA-N 0 0 224.206 2.371 10 0 BEAERN NN(C[C@H](O)c1ccccc1)C1CCCCC1 ZINC000584596151 358253680 /nfs/dbraw/zinc/25/36/80/358253680.db2.gz UAFAFRHGEPUPRV-AWEZNQCLSA-N 0 0 234.343 2.228 10 0 BEAERN O=C1CC[C@H](c2cc(F)ccc2F)C(=O)C1 ZINC000584615219 358279931 /nfs/dbraw/zinc/27/99/31/358279931.db2.gz VTJSDWNCSTUBRZ-SECBINFHSA-N 0 0 224.206 2.371 10 0 BEAERN COC(=O)c1ccc([C@H]2CC(=O)CCO2)c(C)c1 ZINC000584597935 358255742 /nfs/dbraw/zinc/25/57/42/358255742.db2.gz UNWIQDSHIFGSIK-CYBMUJFWSA-N 0 0 248.278 2.202 10 0 BEAERN COCC1(C(=O)CC(=O)OC(C)(C)C)CCC1 ZINC000584600394 358257120 /nfs/dbraw/zinc/25/71/20/358257120.db2.gz KOOBMBXNIKDQLP-UHFFFAOYSA-N 0 0 242.315 2.104 10 0 BEAERN CN(C(=O)C1CC1)[C@H]1Cc2ccccc2C(=O)C1 ZINC000584602251 358260057 /nfs/dbraw/zinc/26/00/57/358260057.db2.gz PITJUVHXHVTDQO-LBPRGKRZSA-N 0 0 243.306 2.053 10 0 BEAERN CCO[P@](=O)(/C=C/CO)c1ccccc1 ZINC000584602590 358260738 /nfs/dbraw/zinc/26/07/38/358260738.db2.gz RAOBKIZGTOIJPR-WCLQSUPFSA-N 0 0 226.212 2.133 10 0 BEAERN COc1ncc(C(C)=O)cc1C(F)(F)F ZINC000584603716 358262327 /nfs/dbraw/zinc/26/23/27/358262327.db2.gz KCYISZPYQNYXMI-UHFFFAOYSA-N 0 0 219.162 2.312 10 0 BEAERN CCOC(=O)C[C@H](C)C[C@H](O)CC(C)C ZINC000584604442 358262948 /nfs/dbraw/zinc/26/29/48/358262948.db2.gz FDEWTBVTDUTWIE-GHMZBOCLSA-N 0 0 216.321 2.373 10 0 BEAERN CC1(C)Cc2cc3c(=O)cc[nH]c3cc2O1 ZINC000584604326 358263091 /nfs/dbraw/zinc/26/30/91/358263091.db2.gz ZJZANWSPXUPAKY-UHFFFAOYSA-N 0 0 215.252 2.242 10 0 BEAERN C=CC(=O)OCCSC(=S)OC(C)C ZINC000584606197 358265061 /nfs/dbraw/zinc/26/50/61/358265061.db2.gz MGBKCMMCTBXSSQ-UHFFFAOYSA-N 0 0 234.342 2.159 10 0 BEAERN COc1cc2c(cc1OC)C[C@H](C1CC1)N=C2 ZINC000584606206 358265558 /nfs/dbraw/zinc/26/55/58/358265558.db2.gz NLUFHWDDSZWSSA-GFCCVEGCSA-N 0 0 231.295 2.457 10 0 BEAERN CC(C)(C)CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077141587 325366825 /nfs/dbraw/zinc/36/68/25/325366825.db2.gz GXFIAZRSJXLJFF-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CCOc1ccc(CC(=O)C(=O)OC)cc1 ZINC000584606829 358266634 /nfs/dbraw/zinc/26/66/34/358266634.db2.gz WGAMVOABBKPNGE-FLIBITNWSA-N 0 0 222.240 2.157 10 0 BEAERN CC(=O)C(F)(F)C(=O)Nc1ccc(C)cc1C ZINC000584607923 358268294 /nfs/dbraw/zinc/26/82/94/358268294.db2.gz SQPZILDQHVYWGJ-UHFFFAOYSA-N 0 0 241.237 2.466 10 0 BEAERN C=Cc1cc2c(cc1/C=C/CO)OCO2 ZINC000584608146 358268439 /nfs/dbraw/zinc/26/84/39/358268439.db2.gz WGMWIPUUTORWLU-ONEGZZNKSA-N 0 0 204.225 2.064 10 0 BEAERN Cc1cc(Cl)cc2c1NC(=O)[C@@H](C)OC2=O ZINC000584608938 358269940 /nfs/dbraw/zinc/26/99/40/358269940.db2.gz DJKJKJNSXZRMNR-ZCFIWIBFSA-N 0 0 239.658 2.146 10 0 BEAERN CC/C(OC)=C(/C)S(=O)(=O)C(F)(F)F ZINC000584609633 358271127 /nfs/dbraw/zinc/27/11/27/358271127.db2.gz LXTLIEUFBVFKET-AATRIKPKSA-N 0 0 232.223 2.209 10 0 BEAERN O=C1NCCCC/C1=C\c1cccs1 ZINC000584609497 358271170 /nfs/dbraw/zinc/27/11/70/358271170.db2.gz AIIWJZGVPNJWPK-CMDGGOBGSA-N 0 0 207.298 2.432 10 0 BEAERN COc1ccc(/C=C(/F)n2cncn2)cc1 ZINC000584609640 358271237 /nfs/dbraw/zinc/27/12/37/358271237.db2.gz VIMUZZAAUJUERT-WDZFZDKYSA-N 0 0 219.219 2.212 10 0 BEAERN C[Si](C)(C)c1ccc(/C=C/CO)s1 ZINC000584609502 358271346 /nfs/dbraw/zinc/27/13/46/358271346.db2.gz BCYZXZIOFGMQJO-SNAWJCMRSA-N 0 0 212.390 2.299 10 0 BEAERN CNc1c(F)cccc1/C=C/C(=O)OC ZINC000584610115 358272438 /nfs/dbraw/zinc/27/24/38/358272438.db2.gz IOFHYPOMYJUQAB-VOTSOKGWSA-N 0 0 209.220 2.054 10 0 BEAERN CONC(=O)CC/C=C/C[Si](C)(C)C ZINC000584610281 358273293 /nfs/dbraw/zinc/27/32/93/358273293.db2.gz XAXCPVRFVORGDF-FNORWQNLSA-N 0 0 215.369 2.339 10 0 BEAERN COc1cc2cc3n(c2cc1C)CC[C@H]3O ZINC000584620092 358286888 /nfs/dbraw/zinc/28/68/88/358286888.db2.gz HGGLQEWUFPGYHX-GFCCVEGCSA-N 0 0 217.268 2.395 10 0 BEAERN On1c2c(nc1-c1ccncc1)CCCC2 ZINC000584619917 358286891 /nfs/dbraw/zinc/28/68/91/358286891.db2.gz HQJKZLHMAOJLIR-UHFFFAOYSA-N 0 0 215.256 2.061 10 0 BEAERN COc1ccc(C[C@H](C)n2nccn2)cc1 ZINC000584621937 358290156 /nfs/dbraw/zinc/29/01/56/358290156.db2.gz ZRUHVPPWMDDRBD-JTQLQIEISA-N 0 0 217.272 2.090 10 0 BEAERN CCc1cc(NC(=O)[C@H]2CCC[C@@H]2C)n[nH]1 ZINC000230183008 491128027 /nfs/dbraw/zinc/12/80/27/491128027.db2.gz KRVFMURGPCTNAC-WPRPVWTQSA-N 0 0 221.304 2.347 10 0 BEAERN CNc1ccc2nn(-c3cccnc3)cc2c1 ZINC000584626001 358295189 /nfs/dbraw/zinc/29/51/89/358295189.db2.gz BVZZFHZIHKQKAU-UHFFFAOYSA-N 0 0 224.267 2.462 10 0 BEAERN CON1C(C)=CCc2ccccc2C1=O ZINC000584626536 358295764 /nfs/dbraw/zinc/29/57/64/358295764.db2.gz IIGCUVAKSNIRIN-UHFFFAOYSA-N 0 0 203.241 2.150 10 0 BEAERN O=Cc1ccoc1-c1occc1C1OCCO1 ZINC000584630149 358299770 /nfs/dbraw/zinc/29/97/70/358299770.db2.gz MVPRVSVZMJZLGE-UHFFFAOYSA-N 0 0 234.207 2.398 10 0 BEAERN Cc1ncc(CO)c(C)c1OC(=O)C(C)(C)C ZINC000584651228 358306246 /nfs/dbraw/zinc/30/62/46/358306246.db2.gz DVUDDACJNFQQMG-UHFFFAOYSA-N 0 0 237.299 2.142 10 0 BEAERN C[C@@H]1CC[C@H]1S(=O)(=O)c1ccccc1 ZINC000584657025 358308651 /nfs/dbraw/zinc/30/86/51/358308651.db2.gz URWJAJDMICZZHB-MWLCHTKSSA-N 0 0 210.298 2.259 10 0 BEAERN C[C@H]1N(N=O)C(=O)O[C@@]1(C)C(C)(C)C ZINC000584657448 358309313 /nfs/dbraw/zinc/30/93/13/358309313.db2.gz GVEPJPAVOUVCKM-HZGVNTEJSA-N 0 0 200.238 2.313 10 0 BEAERN CC(C)(C)[C@H]1CCC2(CC1=O)OCCO2 ZINC000584657552 358309409 /nfs/dbraw/zinc/30/94/09/358309409.db2.gz BRUMPIUCGVBOHC-VIFPVBQESA-N 0 0 212.289 2.145 10 0 BEAERN CCC[C@@H](OC(C)=O)[C@@H](CCC)OC(C)=O ZINC000584657380 358309449 /nfs/dbraw/zinc/30/94/49/358309449.db2.gz MEYQKLYTJNUOKX-VXGBXAGGSA-N 0 0 230.304 2.450 10 0 BEAERN C[Si](C)(C)NSN[Si](C)(C)C ZINC000584658645 358310540 /nfs/dbraw/zinc/31/05/40/358310540.db2.gz DQVQZNLOYGAUKR-UHFFFAOYSA-N 0 0 208.479 2.399 10 0 BEAERN O=C1CCc2cc(OC(F)(F)F)ccc2N1 ZINC000584660812 358311994 /nfs/dbraw/zinc/31/19/94/358311994.db2.gz DWFSAQMBYIUSJN-UHFFFAOYSA-N 0 0 231.173 2.470 10 0 BEAERN CC(=O)N1C[C@@H]2CCc3ccccc3[C@@H]2C1 ZINC000584616999 358281390 /nfs/dbraw/zinc/28/13/90/358281390.db2.gz GDOYICAJLSFPFJ-GXTWGEPZSA-N 0 0 215.296 2.195 10 0 BEAERN C=CC(=O)OCCSC(=S)N(CC)CC ZINC000584643877 358329098 /nfs/dbraw/zinc/32/90/98/358329098.db2.gz STSPSAOQZCKPCF-UHFFFAOYSA-N 0 0 247.385 2.076 10 0 BEAERN CCOC(=O)c1ccc(-n2ccnc2C)c(F)c1 ZINC000584644160 358329347 /nfs/dbraw/zinc/32/93/47/358329347.db2.gz XFLNNFNGBNAQGQ-UHFFFAOYSA-N 0 0 248.257 2.497 10 0 BEAERN CCC(=O)c1cn(CC(F)(F)F)cn1 ZINC000584645496 358330908 /nfs/dbraw/zinc/33/09/08/358330908.db2.gz RDTOFPOELRTFNR-UHFFFAOYSA-N 0 0 206.167 2.038 10 0 BEAERN CC[C@@H](C)CC(=O)N1C(=O)OCC1(C)C ZINC000584634578 358318961 /nfs/dbraw/zinc/31/89/61/358318961.db2.gz MRIBIQXMIDJQNY-MRVPVSSYSA-N 0 0 213.277 2.180 10 0 BEAERN COCOc1cc(Br)ccc1O ZINC000584635537 358319418 /nfs/dbraw/zinc/31/94/18/358319418.db2.gz YSCMVONAMXQOAX-UHFFFAOYSA-N 0 0 233.061 2.137 10 0 BEAERN Cc1cccc(C)c1C1(O)CCN(N(C)C)CC1 ZINC000584636971 358322237 /nfs/dbraw/zinc/32/22/37/358322237.db2.gz OIFSGSNTFDJMBB-UHFFFAOYSA-N 0 0 248.370 2.063 10 0 BEAERN CCc1nsc(-c2ccc(N)cc2)n1 ZINC000584637339 358322855 /nfs/dbraw/zinc/32/28/55/358322855.db2.gz YJUXRFSLVWEVPR-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN CCOC(=O)c1cc2c(c(Cl)n1)CCC2 ZINC000584638057 358323589 /nfs/dbraw/zinc/32/35/89/358323589.db2.gz JQWKDNHNZUCPQU-UHFFFAOYSA-N 0 0 225.675 2.400 10 0 BEAERN OCc1nccc2c1C[C@H](CCC1CC1)C2 ZINC000584638011 358323600 /nfs/dbraw/zinc/32/36/00/358323600.db2.gz CJPDLBKOISHFIS-LLVKDONJSA-N 0 0 217.312 2.479 10 0 BEAERN C[C@@H]1C[C@H](C(=O)NC(C)(C)CO)CC(C)(C)C1 ZINC000180178257 366389719 /nfs/dbraw/zinc/38/97/19/366389719.db2.gz JFRSFAVSKYIOGF-MNOVXSKESA-N 0 0 241.375 2.336 10 0 BEAERN NC(=O)c1ccc(N)c(OCc2cccs2)c1 ZINC000103958332 181297454 /nfs/dbraw/zinc/29/74/54/181297454.db2.gz VFNOBEJYKLLMEN-UHFFFAOYSA-N 0 0 248.307 2.008 10 0 BEAERN CCCCC[C@H](O)CCC(=O)OCC ZINC000043372631 358374677 /nfs/dbraw/zinc/37/46/77/358374677.db2.gz GVQQXUANWIIBOL-JTQLQIEISA-N 0 0 202.294 2.271 10 0 BEAERN Cc1nc([C@@H](C)NCc2ccno2)cs1 ZINC000230639731 491130446 /nfs/dbraw/zinc/13/04/46/491130446.db2.gz MKWYMHNMRAFWKI-SSDOTTSWSA-N 0 0 223.301 2.290 10 0 BEAERN NC(=O)c1ccc(N)c(Oc2ccccc2)c1 ZINC000103953576 181297365 /nfs/dbraw/zinc/29/73/65/181297365.db2.gz CXZIAIWBQOSMST-UHFFFAOYSA-N 0 0 228.251 2.160 10 0 BEAERN Fc1ccc(C2OCCO2)c(F)c1F ZINC000044228136 358404292 /nfs/dbraw/zinc/40/42/92/358404292.db2.gz HLLWNWWVODMCEP-UHFFFAOYSA-N 0 0 204.147 2.149 10 0 BEAERN CC(C)CC[C@@](C)(O)C[NH2+]Cc1cncs1 ZINC000124317326 358516153 /nfs/dbraw/zinc/51/61/53/358516153.db2.gz KPSDVPYSUZICAQ-GFCCVEGCSA-N 0 0 242.388 2.420 10 0 BEAERN NNc1ccc(-c2ccc(Cl)s2)nn1 ZINC000027709490 358440518 /nfs/dbraw/zinc/44/05/18/358440518.db2.gz LZYBUYIBVPBBPV-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN Cc1cc(Cl)ccc1N1CCNC1=O ZINC000169077610 358545096 /nfs/dbraw/zinc/54/50/96/358545096.db2.gz HRJKJGGUBFRMMP-UHFFFAOYSA-N 0 0 210.664 2.178 10 0 BEAERN CC[C@@H](Nc1ccnc(C(=O)OC)n1)C(C)C ZINC000090737606 363612333 /nfs/dbraw/zinc/61/23/33/363612333.db2.gz QBGMZZCEAXCHKJ-SECBINFHSA-N 0 0 237.303 2.110 10 0 BEAERN C[C@H](CC(=O)[O-])[N@@H+]1CCSC(C)(C)CC1 ZINC000231054330 358579650 /nfs/dbraw/zinc/57/96/50/358579650.db2.gz BMVPCEXPAUHWPW-SECBINFHSA-N 0 0 231.361 2.067 10 0 BEAERN CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000046625640 358579735 /nfs/dbraw/zinc/57/97/35/358579735.db2.gz ZZEDLSVVHXWMLT-CYBMUJFWSA-N 0 0 221.275 2.379 10 0 BEAERN CCC(CC)C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000130876304 358650666 /nfs/dbraw/zinc/65/06/66/358650666.db2.gz STQMPAHVUMUBEY-RYUDHWBXSA-N 0 0 227.348 2.232 10 0 BEAERN CC(C)Cn1ccnc1CNC(=O)c1ccco1 ZINC000130886936 358651585 /nfs/dbraw/zinc/65/15/85/358651585.db2.gz PUXLJUDQNOWWKR-UHFFFAOYSA-N 0 0 247.298 2.062 10 0 BEAERN Cc1occc1SC[C@@H](C)CS(C)(=O)=O ZINC000131539115 358680301 /nfs/dbraw/zinc/68/03/01/358680301.db2.gz SSSOBFWTJPNBMC-MRVPVSSYSA-N 0 0 248.369 2.361 10 0 BEAERN CCc1cc(C(=O)NC2CC2)oc1CC ZINC000131664562 358687898 /nfs/dbraw/zinc/68/78/98/358687898.db2.gz PIHFOXNHJAYYAG-UHFFFAOYSA-N 0 0 207.273 2.297 10 0 BEAERN C[C@H](O)[C@H](O)c1c(F)c(F)ccc1Cl ZINC000306148713 358755362 /nfs/dbraw/zinc/75/53/62/358755362.db2.gz BEHYVZISLOBUIV-IGJIYHIXSA-N 0 0 222.618 2.032 10 0 BEAERN C[C@H](O)[C@@H](O)c1c(F)c(F)ccc1Cl ZINC000306148711 358755509 /nfs/dbraw/zinc/75/55/09/358755509.db2.gz BEHYVZISLOBUIV-AJAUBTJJSA-N 0 0 222.618 2.032 10 0 BEAERN Cc1ccc(CCC(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000133580433 358759368 /nfs/dbraw/zinc/75/93/68/358759368.db2.gz SBFKLHQRSXYIAO-CHWSQXEVSA-N 0 0 249.354 2.061 10 0 BEAERN Cc1cc(Cl)nc(C[C@@H]2CCOC2)n1 ZINC000160813005 358762977 /nfs/dbraw/zinc/76/29/77/358762977.db2.gz KOABBYIGFVVWSU-QMMMGPOBSA-N 0 0 212.680 2.017 10 0 BEAERN CC[C@H](C)C[S@@](=O)Cc1nccn1CC ZINC000133723270 358766175 /nfs/dbraw/zinc/76/61/75/358766175.db2.gz SFNLSPLKACNRMV-BONVTDFDSA-N 0 0 228.361 2.198 10 0 BEAERN CCC(C)(CC)NC(=O)c1ncncc1Cl ZINC000176497835 134291684 /nfs/dbraw/zinc/29/16/84/134291684.db2.gz LSFXTMHESOCNIK-UHFFFAOYSA-N 0 0 241.722 2.439 10 0 BEAERN CC(=O)NCCCCOCc1ccccc1 ZINC000050423301 358730290 /nfs/dbraw/zinc/73/02/90/358730290.db2.gz YSXAHPQSDRDAPQ-UHFFFAOYSA-N 0 0 221.300 2.120 10 0 BEAERN CCOC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000050524678 358733603 /nfs/dbraw/zinc/73/36/03/358733603.db2.gz VIJAYDGPKXWVIJ-JTQLQIEISA-N 0 0 232.283 2.236 10 0 BEAERN CN(CCF)c1cc(Cl)ccc1N ZINC000231099684 358741694 /nfs/dbraw/zinc/74/16/94/358741694.db2.gz JDSHFCKIBFQUPB-UHFFFAOYSA-N 0 0 202.660 2.328 10 0 BEAERN CC[C@H](N[C@H]1C[C@@H]1c1ccccc1)C(=O)OC ZINC000134973314 358813655 /nfs/dbraw/zinc/81/36/55/358813655.db2.gz OTOJEOINIMJWSJ-AGIUHOORSA-N 0 0 233.311 2.084 10 0 BEAERN COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CCOC1 ZINC000135148496 358822292 /nfs/dbraw/zinc/82/22/92/358822292.db2.gz HEUNTEZMGIVPCE-NXEZZACHSA-N 0 0 239.290 2.274 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2c(F)cccc2F)O1 ZINC000134093184 358779136 /nfs/dbraw/zinc/77/91/36/358779136.db2.gz UIJKVENRZYMPPG-GMSGAONNSA-N 0 0 241.237 2.471 10 0 BEAERN Cn1ccnc1CN[C@H]1CCc2cc(F)ccc21 ZINC000134295315 358785863 /nfs/dbraw/zinc/78/58/63/358785863.db2.gz ZYNLDSHQOQQFFA-ZDUSSCGKSA-N 0 0 245.301 2.336 10 0 BEAERN CN(CC1CCC1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134330768 358786795 /nfs/dbraw/zinc/78/67/95/358786795.db2.gz PBJQWUKWCINYMV-LLVKDONJSA-N 0 0 247.342 2.088 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)NC1CCC(C)CC1 ZINC000134462694 358790188 /nfs/dbraw/zinc/79/01/88/358790188.db2.gz ANRUMOIHEXZFOR-RUJICJSRSA-N 0 0 240.347 2.042 10 0 BEAERN CCC[C@H](C)C(=O)N1CCC[C@@H]1CCCO ZINC000052758118 358791039 /nfs/dbraw/zinc/79/10/39/358791039.db2.gz KKADBXVMVJXVIW-NWDGAFQWSA-N 0 0 227.348 2.186 10 0 BEAERN CC(C)CCC(=O)N1CCC[C@@H]1CCCO ZINC000052757987 358791177 /nfs/dbraw/zinc/79/11/77/358791177.db2.gz KYEPNLCZWSEMBJ-GFCCVEGCSA-N 0 0 227.348 2.186 10 0 BEAERN CC(C)c1cc(N2CCC[C@@H]2CCCO)ncn1 ZINC000052761580 358792353 /nfs/dbraw/zinc/79/23/53/358792353.db2.gz UDYVLTSXWRBQAF-GFCCVEGCSA-N 0 0 249.358 2.341 10 0 BEAERN CC(C)c1cc(N[C@@H]2CCO[C@H]2C)ncn1 ZINC000134574459 358796642 /nfs/dbraw/zinc/79/66/42/358796642.db2.gz UMMYASCBQYUAHI-VHSXEESVSA-N 0 0 221.304 2.189 10 0 BEAERN CN(CC(F)(F)F)[C@H]1CCCc2c1cnn2C ZINC000135591294 358845466 /nfs/dbraw/zinc/84/54/66/358845466.db2.gz BXGIFTVLNTYRAO-VIFPVBQESA-N 0 0 247.264 2.292 10 0 BEAERN COc1ccc([C@H](C)NCc2c[nH]cn2)cc1F ZINC000054764735 358872840 /nfs/dbraw/zinc/87/28/40/358872840.db2.gz ZJIPNBGOYXAFSZ-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN C[C@H](SC[C@@H](O)CO)c1cc(F)ccc1F ZINC000177443910 134298035 /nfs/dbraw/zinc/29/80/35/134298035.db2.gz XGEAJAQCIVOEBK-CBAPKCEASA-N 0 0 248.294 2.112 10 0 BEAERN COC[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000056922081 358900692 /nfs/dbraw/zinc/90/06/92/358900692.db2.gz HILQWCWUOSSADD-AWEZNQCLSA-N 0 0 247.338 2.114 10 0 BEAERN CC(F)(F)C(=O)c1c[nH]c2ncccc12 ZINC000306154782 358941352 /nfs/dbraw/zinc/94/13/52/358941352.db2.gz BOORVCHMEPMABI-UHFFFAOYSA-N 0 0 210.183 2.401 10 0 BEAERN CNc1nc([C@@]2(C)CCCS2)ns1 ZINC000306174281 358982385 /nfs/dbraw/zinc/98/23/85/358982385.db2.gz URAJGUUYGQYMMB-MRVPVSSYSA-N 0 0 215.347 2.322 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000306174712 358983490 /nfs/dbraw/zinc/98/34/90/358983490.db2.gz BZNCZONABVTDBM-RITPCOANSA-N 0 0 218.709 2.122 10 0 BEAERN Cc1ccc(Cl)c([C@@H](O)[C@H](C)O)c1 ZINC000306175704 358983566 /nfs/dbraw/zinc/98/35/66/358983566.db2.gz NDEJINCQMTZJDX-XVKPBYJWSA-N 0 0 200.665 2.063 10 0 BEAERN Cc1cc([C@H](O)[C@@H]2CCCCO2)sn1 ZINC000306178642 358990574 /nfs/dbraw/zinc/99/05/74/358990574.db2.gz HLTAWNQXVOYKHH-WCBMZHEXSA-N 0 0 213.302 2.054 10 0 BEAERN Cc1cc([C@@H](O)[C@H]2CCCCO2)sn1 ZINC000306178639 358990797 /nfs/dbraw/zinc/99/07/97/358990797.db2.gz HLTAWNQXVOYKHH-SCZZXKLOSA-N 0 0 213.302 2.054 10 0 BEAERN CC(F)(F)C(=O)Nc1cc(Cl)ccn1 ZINC000306178932 358991609 /nfs/dbraw/zinc/99/16/09/358991609.db2.gz HVTWWLFSZAZIKV-UHFFFAOYSA-N 0 0 220.606 2.329 10 0 BEAERN CCc1cc(N[C@H]2CCCC[C@H]2CO)ncn1 ZINC000231143431 358994509 /nfs/dbraw/zinc/99/45/09/358994509.db2.gz DNMHXLKJZCPWGI-JQWIXIFHSA-N 0 0 235.331 2.002 10 0 BEAERN O=C1CCC[C@H]1CCN1CCC(F)(F)C1 ZINC000306189246 359005569 /nfs/dbraw/zinc/00/55/69/359005569.db2.gz IQQPWUKCFICEGF-VIFPVBQESA-N 0 0 217.259 2.087 10 0 BEAERN COC[C@@H](O)c1ccc(Br)cc1 ZINC000086519156 359006831 /nfs/dbraw/zinc/00/68/31/359006831.db2.gz ONZWMBGIRRUIRZ-SECBINFHSA-N 0 0 231.089 2.129 10 0 BEAERN CC(C)(O)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000075237742 359140012 /nfs/dbraw/zinc/14/00/12/359140012.db2.gz LMDHFLQJROPAIE-NWDGAFQWSA-N 0 0 239.359 2.090 10 0 BEAERN CCC[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247527717 359231282 /nfs/dbraw/zinc/23/12/82/359231282.db2.gz XGBNUFBLPAXUHJ-YNEHKIRRSA-N 0 0 238.375 2.118 10 0 BEAERN CC[C@H](C)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248062469 359253505 /nfs/dbraw/zinc/25/35/05/359253505.db2.gz YQTKYFHEFJDNGG-OBJOEFQTSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1cc(-c2cnc(C=O)s2)sn1 ZINC000306209525 359301089 /nfs/dbraw/zinc/30/10/89/359301089.db2.gz SWMJPJKBLWUFGR-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Cc1ncsc1C(=O)c1ccsn1 ZINC000306209798 359302413 /nfs/dbraw/zinc/30/24/13/359302413.db2.gz ILEQBUABKSTLJQ-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CCCO[C@H]1[C@H](OCc2ccccc2)C[C@@H]1O ZINC000300470408 359312970 /nfs/dbraw/zinc/31/29/70/359312970.db2.gz JIDAVNADRFAJNP-BFHYXJOUSA-N 0 0 236.311 2.132 10 0 BEAERN O[C@H]1CCCC[C@H](Cc2csnn2)C1 ZINC000306214405 359315791 /nfs/dbraw/zinc/31/57/91/359315791.db2.gz YSTOITYWMZUCGZ-SCZZXKLOSA-N 0 0 212.318 2.022 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000308886801 491139719 /nfs/dbraw/zinc/13/97/19/491139719.db2.gz UHFAAGZYSIRIOL-BDAKNGLRSA-N 0 0 226.707 2.450 10 0 BEAERN Cc1nc(CN2CCCC2)nc(Cl)c1F ZINC000306213723 359316753 /nfs/dbraw/zinc/31/67/53/359316753.db2.gz XNDUYHFQGANGEA-UHFFFAOYSA-N 0 0 229.686 2.173 10 0 BEAERN O=c1ccc2cc(Br)c(F)cc2[nH]1 ZINC000169144968 359357449 /nfs/dbraw/zinc/35/74/49/359357449.db2.gz NJFSIMDTFFXIHB-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN NN=c1ccc2cc(Cl)c(F)cc2[nH]1 ZINC000169146170 359358089 /nfs/dbraw/zinc/35/80/89/359358089.db2.gz NLZKBSGRKPLSAK-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN NC1(C(=O)c2ccsc2Cl)CC1 ZINC000306218595 359337506 /nfs/dbraw/zinc/33/75/06/359337506.db2.gz FRMQIMTYJLKSDC-UHFFFAOYSA-N 0 0 201.678 2.076 10 0 BEAERN C[C@@H]1CC(=O)CCN1OCc1ccccc1 ZINC000306220260 359340020 /nfs/dbraw/zinc/34/00/20/359340020.db2.gz USTXCFJTRZFGTO-LLVKDONJSA-N 0 0 219.284 2.172 10 0 BEAERN Cc1cc(C[C@]2(C)CCC(=O)N2)cs1 ZINC000306222366 359344650 /nfs/dbraw/zinc/34/46/50/359344650.db2.gz KKQHUAZKMFMJOT-NSHDSACASA-N 0 0 209.314 2.268 10 0 BEAERN CC1(C)OCC[C@]1(O)CCC(F)(F)F ZINC000306248147 359436356 /nfs/dbraw/zinc/43/63/56/359436356.db2.gz XARLAZSWYVPSBR-MRVPVSSYSA-N 0 0 212.211 2.259 10 0 BEAERN CN1C(=S)N=NC1[C@@H]1CCCCS1 ZINC000228196856 359417944 /nfs/dbraw/zinc/41/79/44/359417944.db2.gz AWHQGPASSBGRNK-LURJTMIESA-N 0 0 215.347 2.062 10 0 BEAERN [NH3+][C@@H](C(=O)[O-])c1cc(Cl)sc1Cl ZINC000306240646 359418690 /nfs/dbraw/zinc/41/86/90/359418690.db2.gz QTMBSLGXUZVVCE-SCSAIBSYSA-N 0 0 226.084 2.139 10 0 BEAERN CSc1cc(N[C@H]2CC[C@H]2C)ncn1 ZINC000306241454 359421321 /nfs/dbraw/zinc/42/13/21/359421321.db2.gz LCEUHDFYZBCTCS-SFYZADRCSA-N 0 0 209.318 2.409 10 0 BEAERN Cc1cc(C[C@@]2(O)CCCOC2)cs1 ZINC000306238923 359397307 /nfs/dbraw/zinc/39/73/07/359397307.db2.gz PUICLYIYYRTOIX-NSHDSACASA-N 0 0 212.314 2.141 10 0 BEAERN CC(C)[C@H](O)C[C@]1(C)CCC[C@@]1(C)O ZINC000306237308 359399156 /nfs/dbraw/zinc/39/91/56/359399156.db2.gz OPTRHHGCYSUPKG-GRYCIOLGSA-N 0 0 200.322 2.335 10 0 BEAERN CC1(C)OCC[C@@]1(O)CCC(F)(F)F ZINC000306248149 359435943 /nfs/dbraw/zinc/43/59/43/359435943.db2.gz XARLAZSWYVPSBR-QMMMGPOBSA-N 0 0 212.211 2.259 10 0 BEAERN CCCN(C)N1CCSCC[C@H]1C ZINC000306250165 359446419 /nfs/dbraw/zinc/44/64/19/359446419.db2.gz YGOXXSBPZTWLMX-SNVBAGLBSA-N 0 0 202.367 2.071 10 0 BEAERN CC[C@@H](O)[C@@H](O)c1cc(C)ccc1Cl ZINC000306250073 359450063 /nfs/dbraw/zinc/45/00/63/359450063.db2.gz XQDIBRUCEIMJFP-MNOVXSKESA-N 0 0 214.692 2.453 10 0 BEAERN Cc1ncc(C(=O)c2ccsn2)s1 ZINC000306253615 359463628 /nfs/dbraw/zinc/46/36/28/359463628.db2.gz TUUDDGYTVINVRM-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CCSc1nnc(N)n1Cc1ccccc1 ZINC000001922527 359495787 /nfs/dbraw/zinc/49/57/87/359495787.db2.gz DEOCZJYTBPGHKU-UHFFFAOYSA-N 0 0 234.328 2.021 10 0 BEAERN C[C@@H]1CC[C@H]1Nc1nsnc1Cl ZINC000306273864 359504668 /nfs/dbraw/zinc/50/46/68/359504668.db2.gz AFEXTPZJFPQIKM-RFZPGFLSSA-N 0 0 203.698 2.402 10 0 BEAERN C[Si](C)(C)C[C@@]1(CO)CCCCO1 ZINC000306301242 359580430 /nfs/dbraw/zinc/58/04/30/359580430.db2.gz GFOXVCDOUVSHRM-JTQLQIEISA-N 0 0 202.370 2.256 10 0 BEAERN O=C1CSC([C@H]2COc3ccccc32)=N1 ZINC000306302455 359581641 /nfs/dbraw/zinc/58/16/41/359581641.db2.gz GTJYDACGYWIILT-QMMMGPOBSA-N 0 0 219.265 2.373 10 0 BEAERN C[C@@H]1CSCCN1C(=O)C(C)(Cl)Cl ZINC000306304003 359586035 /nfs/dbraw/zinc/58/60/35/359586035.db2.gz HORCVNVNYLCLCW-ZCFIWIBFSA-N 0 0 242.171 2.144 10 0 BEAERN COc1c(C)c(N)ccc1Br ZINC000306331187 359632280 /nfs/dbraw/zinc/63/22/80/359632280.db2.gz PULNDSKLGXKZCA-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN CCc1csc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000309031936 491142869 /nfs/dbraw/zinc/14/28/69/491142869.db2.gz FJRICTHIJUXNSW-NXEZZACHSA-N 0 0 226.345 2.421 10 0 BEAERN C[C@H](CO)S[C@@H]1CCOC2(CCC2)C1 ZINC000160994873 359683940 /nfs/dbraw/zinc/68/39/40/359683940.db2.gz HTMMYNLGUHYHDU-NXEZZACHSA-N 0 0 216.346 2.202 10 0 BEAERN C[C@](O)(C[C@@H]1CCCC1=O)C(F)(F)F ZINC000306358003 359684033 /nfs/dbraw/zinc/68/40/33/359684033.db2.gz XDLWIJLVWYMHLL-XPUUQOCRSA-N 0 0 210.195 2.059 10 0 BEAERN N[C@@H](c1ncon1)c1cccc(C(F)(F)F)c1 ZINC000036762055 359673548 /nfs/dbraw/zinc/67/35/48/359673548.db2.gz LUWPSGCEORCLKL-MRVPVSSYSA-N 0 0 243.188 2.137 10 0 BEAERN CS(C)(=O)=Nc1cc(N)ccc1Cl ZINC000306407829 359792003 /nfs/dbraw/zinc/79/20/03/359792003.db2.gz XXUTYQWCLPVJCM-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN O[C@@H](c1ccc[nH]1)c1occc1Br ZINC000306412852 359822659 /nfs/dbraw/zinc/82/26/59/359822659.db2.gz RGRYROISUTZXSU-QMMMGPOBSA-N 0 0 242.072 2.452 10 0 BEAERN CCOc1c(F)ccc(OC)c1OC ZINC000396125697 359807088 /nfs/dbraw/zinc/80/70/88/359807088.db2.gz IZLPPCHPMSJQLV-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN Fc1cc(=S)cc(Br)[nH]1 ZINC000306413642 359823993 /nfs/dbraw/zinc/82/39/93/359823993.db2.gz SWYAQVIPWNNHBA-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN Nc1c(Br)cnn1[C@@H]1CC[C@H]2C[C@H]21 ZINC000306417758 359826126 /nfs/dbraw/zinc/82/61/26/359826126.db2.gz SNNDHMSXGSVMEP-SHYZEUOFSA-N 0 0 242.120 2.199 10 0 BEAERN Cc1ncc(N[C@H]2CCSC2)nc1C ZINC000231357831 359905752 /nfs/dbraw/zinc/90/57/52/359905752.db2.gz JDLOZZSBHRJEDA-VIFPVBQESA-N 0 0 209.318 2.011 10 0 BEAERN CCO[C@@H]1C[C@H](Nc2cnn(C)c2)C12CCC2 ZINC000087709399 359924336 /nfs/dbraw/zinc/92/43/36/359924336.db2.gz BWIFZTNMKXKRBP-NWDGAFQWSA-N 0 0 235.331 2.180 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000306431625 359924662 /nfs/dbraw/zinc/92/46/62/359924662.db2.gz ROLJZMRSULPRLJ-PHDIDXHHSA-N 0 0 228.094 2.187 10 0 BEAERN CO[C@H]1CCN(c2csc(Cl)n2)C1 ZINC000306435097 359932157 /nfs/dbraw/zinc/93/21/57/359932157.db2.gz AXPQDERMMPECSW-LURJTMIESA-N 0 0 218.709 2.022 10 0 BEAERN Cc1cc2n[nH]cc2cc1NC1CSC1 ZINC000309196135 491146159 /nfs/dbraw/zinc/14/61/59/491146159.db2.gz QPFPIMZNIIOVCZ-UHFFFAOYSA-N 0 0 219.313 2.399 10 0 BEAERN Clc1nc(NCc2ccon2)cs1 ZINC000306436843 359945402 /nfs/dbraw/zinc/94/54/02/359945402.db2.gz GVEADWZMVTZSFE-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN CNC(=O)[C@H](C)SC1CCCCC1 ZINC000306451045 360035978 /nfs/dbraw/zinc/03/59/78/360035978.db2.gz ZSCPLULQARHANJ-QMMMGPOBSA-N 0 0 201.335 2.187 10 0 BEAERN Nc1ccccc1SC[C@@H](O)C(F)(F)F ZINC000006548364 360046421 /nfs/dbraw/zinc/04/64/21/360046421.db2.gz AAOGCBBNMYTQGP-MRVPVSSYSA-N 0 0 237.246 2.284 10 0 BEAERN CC[C@H](C)[C@H](O)c1ncncc1Br ZINC000306455898 360047064 /nfs/dbraw/zinc/04/70/64/360047064.db2.gz QHVPITUZHUUWQA-RCOVLWMOSA-N 0 0 245.120 2.319 10 0 BEAERN CCc1cc(=S)n(CC(F)(F)F)[nH]1 ZINC000306471494 360096798 /nfs/dbraw/zinc/09/67/98/360096798.db2.gz ZGOMZCPFXYYSBQ-UHFFFAOYSA-N 0 0 210.224 2.297 10 0 BEAERN N[C@@H](c1ncc[nH]1)c1ccsc1Cl ZINC000306472379 360099860 /nfs/dbraw/zinc/09/98/60/360099860.db2.gz STJUVYRZHMPUJY-ZCFIWIBFSA-N 0 0 213.693 2.173 10 0 BEAERN C[C@@H]1[C@H](C)OCCN1CC(Cl)(Cl)Cl ZINC000306462318 360073768 /nfs/dbraw/zinc/07/37/68/360073768.db2.gz GWTYNBXKKXUJIC-RQJHMYQMSA-N 0 0 246.565 2.466 10 0 BEAERN C[C@@H]1CC[C@@H]1NC(=O)C1(Br)CCC1 ZINC000306464217 360076118 /nfs/dbraw/zinc/07/61/18/360076118.db2.gz CIMDOKJXKYNCEP-SFYZADRCSA-N 0 0 246.148 2.219 10 0 BEAERN CC(C)n1ncnc1[C@@H]1CCCC(=O)C1 ZINC000306470065 360087710 /nfs/dbraw/zinc/08/77/10/360087710.db2.gz QJNGMGFPXPPYML-SECBINFHSA-N 0 0 207.277 2.086 10 0 BEAERN O[C@@H](c1ccc(Br)o1)C1=COCC1 ZINC000306475452 360116029 /nfs/dbraw/zinc/11/60/29/360116029.db2.gz HOXDFFKTXIDMIU-SECBINFHSA-N 0 0 245.072 2.380 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)COC3)O1 ZINC000091673738 360124352 /nfs/dbraw/zinc/12/43/52/360124352.db2.gz FJIVZRPFGXQRSZ-TVQRCGJNSA-N 0 0 247.294 2.223 10 0 BEAERN NC(=O)c1ccc(NCc2ccsc2)cc1 ZINC000019911266 181300031 /nfs/dbraw/zinc/30/00/31/181300031.db2.gz YCFLYYBDVRGSKE-UHFFFAOYSA-N 0 0 232.308 2.459 10 0 BEAERN Brc1cnccc1-c1ncc[nH]1 ZINC000237972532 360208860 /nfs/dbraw/zinc/20/88/60/360208860.db2.gz CGUVZTHLTYGERJ-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Cc1cc(C(=O)N2CC2)c(Br)s1 ZINC000306493151 360221618 /nfs/dbraw/zinc/22/16/18/360221618.db2.gz SNJWXAUMDNGFJS-UHFFFAOYSA-N 0 0 246.129 2.275 10 0 BEAERN O=C1Nc2ccc(Cl)cc2NC12CC2 ZINC000228431357 360286163 /nfs/dbraw/zinc/28/61/63/360286163.db2.gz KSIUCCZHBQDSOR-UHFFFAOYSA-N 0 0 208.648 2.237 10 0 BEAERN C[C@@H](Nc1ccc(N)cc1Cl)[C@H](C)O ZINC000306513303 360334398 /nfs/dbraw/zinc/33/43/98/360334398.db2.gz ADTAGSGXTXWOLG-RQJHMYQMSA-N 0 0 214.696 2.103 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccc(N)cc1Cl ZINC000306513302 360334429 /nfs/dbraw/zinc/33/44/29/360334429.db2.gz ADTAGSGXTXWOLG-RNFRBKRXSA-N 0 0 214.696 2.103 10 0 BEAERN COC(=O)C(=O)c1cccc(Cl)c1Cl ZINC000306516875 360341649 /nfs/dbraw/zinc/34/16/49/360341649.db2.gz ZLHFNBLIZODBAZ-UHFFFAOYSA-N 0 0 233.050 2.349 10 0 BEAERN C[C@@H](Nc1cc(Cl)ncn1)C(F)(F)F ZINC000306520173 360344181 /nfs/dbraw/zinc/34/41/81/360344181.db2.gz KBKMWZXJHLPWOW-SCSAIBSYSA-N 0 0 225.601 2.493 10 0 BEAERN CNC(=O)CS[C@@H]1CCCC1(C)C ZINC000306503269 360314766 /nfs/dbraw/zinc/31/47/66/360314766.db2.gz VPLJEJGNHHUYCN-MRVPVSSYSA-N 0 0 201.335 2.044 10 0 BEAERN c1coc([C@H](NC2COC2)c2ccccc2)c1 ZINC000094709949 360315883 /nfs/dbraw/zinc/31/58/83/360315883.db2.gz SSZCFEDKDLYSIN-CQSZACIVSA-N 0 0 229.279 2.357 10 0 BEAERN CCC1(C(=O)NC[C@H]2CCC[C@H]2O)CCCC1 ZINC000094905421 360325800 /nfs/dbraw/zinc/32/58/00/360325800.db2.gz PURHAYPDNLSTNO-VXGBXAGGSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC(=O)C(F)(F)Cl ZINC000306527162 360367435 /nfs/dbraw/zinc/36/74/35/360367435.db2.gz WQIVWVGYCIOXSQ-RITPCOANSA-N 0 0 211.639 2.123 10 0 BEAERN CSc1ccncc1N[C@@H]1CCOC1 ZINC000306528369 360376940 /nfs/dbraw/zinc/37/69/40/360376940.db2.gz BJPDPMPQIZJCLK-MRVPVSSYSA-N 0 0 210.302 2.004 10 0 BEAERN CC[C@@H](O)c1coc(Br)c1 ZINC000306529027 360378147 /nfs/dbraw/zinc/37/81/47/360378147.db2.gz BXZUMSRIGIZBNW-ZCFIWIBFSA-N 0 0 205.051 2.486 10 0 BEAERN Cc1ncc([C@H]2NCCCS2)s1 ZINC000306528647 360378262 /nfs/dbraw/zinc/37/82/62/360378262.db2.gz HJJRKRANSUGZFV-QMMMGPOBSA-N 0 0 200.332 2.177 10 0 BEAERN Cc1ccc(NCC2OCCO2)cc1C ZINC000306529582 360378941 /nfs/dbraw/zinc/37/89/41/360378941.db2.gz CKRMFIMRCWTARR-UHFFFAOYSA-N 0 0 207.273 2.088 10 0 BEAERN O=Cc1cn(Cc2sccc2Cl)cn1 ZINC000306531148 360393351 /nfs/dbraw/zinc/39/33/51/360393351.db2.gz AGLRKPOVGXBUQZ-UHFFFAOYSA-N 0 0 226.688 2.459 10 0 BEAERN Clc1cncc(N[C@H]2C[C@@H]2C2CC2)n1 ZINC000306531292 360393408 /nfs/dbraw/zinc/39/34/08/360393408.db2.gz FNJRNUXCLYIWEM-SFYZADRCSA-N 0 0 209.680 2.340 10 0 BEAERN CC(C)[C@@H](C)n1cnc(Cl)cc1=O ZINC000306530699 360393687 /nfs/dbraw/zinc/39/36/87/360393687.db2.gz DSBHXAGYLPRRBE-SSDOTTSWSA-N 0 0 200.669 2.114 10 0 BEAERN CNC(=S)N[C@]1(C)CCCC[C@@H]1C ZINC000306535341 360399114 /nfs/dbraw/zinc/39/91/14/360399114.db2.gz JTFAEECVRAJNEX-WCBMZHEXSA-N 0 0 200.351 2.049 10 0 BEAERN C[C@H]1CSCC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000306566734 360446000 /nfs/dbraw/zinc/44/60/00/360446000.db2.gz YWZJTPXIUCZWDR-GHMZBOCLSA-N 0 0 227.373 2.183 10 0 BEAERN CCC1(C)CN(Cc2nnsc2Cl)C1 ZINC000306566169 360446561 /nfs/dbraw/zinc/44/65/61/360446561.db2.gz YOFIAPSRBJPSNR-UHFFFAOYSA-N 0 0 231.752 2.423 10 0 BEAERN Cc1nc(C(=O)[C@@H]2OCC[C@@H]2C)cs1 ZINC000306566695 360446628 /nfs/dbraw/zinc/44/66/28/360446628.db2.gz YTVNYNJCMPYRIZ-QUBYGPBYSA-N 0 0 211.286 2.059 10 0 BEAERN Cn1ccnc1-c1cccc(C=O)c1F ZINC000306567823 360448793 /nfs/dbraw/zinc/44/87/93/360448793.db2.gz SZNIJOAAIQJNFM-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN OCc1cc(F)c(F)c(OC(F)F)c1 ZINC000306538283 360404338 /nfs/dbraw/zinc/40/43/38/360404338.db2.gz JOCVMMSGAOUUPU-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN CCc1nc([C@H]2CSCCS2)no1 ZINC000306541254 360410417 /nfs/dbraw/zinc/41/04/17/360410417.db2.gz SLDAYBBXOAKUNY-ZCFIWIBFSA-N 0 0 216.331 2.153 10 0 BEAERN COc1cc([C@@]2(O)CCC[C@H]2C)sn1 ZINC000306546353 360416236 /nfs/dbraw/zinc/41/62/36/360416236.db2.gz WPSRGUVGSXLZEN-GMSGAONNSA-N 0 0 213.302 2.159 10 0 BEAERN CCc1cnc([C@@H]2NCCCS2)s1 ZINC000306553803 360426388 /nfs/dbraw/zinc/42/63/88/360426388.db2.gz BJBYGLPZNQBCBC-MRVPVSSYSA-N 0 0 214.359 2.431 10 0 BEAERN COc1nccc(C(=O)[C@H]2C[C@@H]2C)c1F ZINC000306556088 360430164 /nfs/dbraw/zinc/43/01/64/360430164.db2.gz MIAXGXRXRUHEIL-XPUUQOCRSA-N 0 0 209.220 2.068 10 0 BEAERN Cc1ccnc(N[C@@H](C)C(C)(F)F)n1 ZINC000306558699 360432840 /nfs/dbraw/zinc/43/28/40/360432840.db2.gz POAALGGVGPTICZ-ZETCQYMHSA-N 0 0 201.220 2.241 10 0 BEAERN Cc1csc(N[C@@H](C)c2ncon2)n1 ZINC000306582296 360480875 /nfs/dbraw/zinc/48/08/75/360480875.db2.gz PCLXQCKTAINYRP-LURJTMIESA-N 0 0 210.262 2.008 10 0 BEAERN N[C@@H](c1ccns1)c1ccc(Cl)cn1 ZINC000306582812 360483627 /nfs/dbraw/zinc/48/36/27/360483627.db2.gz PJELPKJWIGFWKS-SECBINFHSA-N 0 0 225.704 2.240 10 0 BEAERN Cc1nocc1CNc1cnc(Cl)cn1 ZINC000306586075 360485855 /nfs/dbraw/zinc/48/58/55/360485855.db2.gz RAYPDFHIWFFHBO-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN NC(=O)c1ccc(Oc2cccc(N)c2)cc1 ZINC000038056459 181301411 /nfs/dbraw/zinc/30/14/11/181301411.db2.gz CAHSFKBBHQXWHW-UHFFFAOYSA-N 0 0 228.251 2.160 10 0 BEAERN OCC1(Oc2c(F)cccc2Cl)CC1 ZINC000300757100 360454394 /nfs/dbraw/zinc/45/43/94/360454394.db2.gz MLAXYYVUPIDCEX-UHFFFAOYSA-N 0 0 216.639 2.383 10 0 BEAERN CCC1N=NC(=S)N1[C@H]1CS[C@H](C)C1 ZINC000306571525 360458008 /nfs/dbraw/zinc/45/80/08/360458008.db2.gz HANLADDBGBNASM-RNFRBKRXSA-N 0 0 229.374 2.196 10 0 BEAERN Nc1c(F)c(F)ccc1OC(F)(F)F ZINC000306576648 360466158 /nfs/dbraw/zinc/46/61/58/360466158.db2.gz KPEBDRUXARCMHN-UHFFFAOYSA-N 0 0 213.105 2.446 10 0 BEAERN O=Cc1cncn1[C@@H]1CCCC1(F)F ZINC000306579016 360466431 /nfs/dbraw/zinc/46/64/31/360466431.db2.gz MPEDCOPLCIIDLR-MRVPVSSYSA-N 0 0 200.188 2.056 10 0 BEAERN CCNc1nc([C@H]2CCOC2)c(C)s1 ZINC000306599534 360520623 /nfs/dbraw/zinc/52/06/23/360520623.db2.gz RNKHVKAUSXUETD-QMMMGPOBSA-N 0 0 212.318 2.387 10 0 BEAERN C[C@H]1COCC[C@@H]1Nc1ccnc(F)c1 ZINC000300821338 360523059 /nfs/dbraw/zinc/52/30/59/360523059.db2.gz BKJDZOHHDRTLIN-WPRPVWTQSA-N 0 0 210.252 2.058 10 0 BEAERN O=Cc1c[nH]c([C@H]2CCC(F)(F)C2)n1 ZINC000300820658 360523086 /nfs/dbraw/zinc/52/30/86/360523086.db2.gz DFHPGXPCGICZOU-LURJTMIESA-N 0 0 200.188 2.125 10 0 BEAERN CCn1ccc(Nc2cncc(Cl)n2)n1 ZINC000300835898 360531876 /nfs/dbraw/zinc/53/18/76/360531876.db2.gz DGPSRXWYLROEMI-UHFFFAOYSA-N 0 0 223.667 2.090 10 0 BEAERN Nc1cnc(-c2sccc2Cl)nc1 ZINC000306594507 360513127 /nfs/dbraw/zinc/51/31/27/360513127.db2.gz DOHTYNMCGMEBCP-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@](O)(CO)c1c(Cl)cccc1Cl ZINC000306593324 360514264 /nfs/dbraw/zinc/51/42/64/360514264.db2.gz WXYHOVDNLLHWBB-VIFPVBQESA-N 0 0 221.083 2.193 10 0 BEAERN CC(C)n1nccc1[C@@H]1NC[C@@H](C)S1 ZINC000306595685 360515980 /nfs/dbraw/zinc/51/59/80/360515980.db2.gz LKEKLPZMQTXLJH-PSASIEDQSA-N 0 0 211.334 2.188 10 0 BEAERN CC(C)n1nccc1[C@@H]1NC[C@H](C)S1 ZINC000306595687 360516174 /nfs/dbraw/zinc/51/61/74/360516174.db2.gz LKEKLPZMQTXLJH-WCBMZHEXSA-N 0 0 211.334 2.188 10 0 BEAERN COC(=O)c1c(C)ccnc1OC(F)(F)F ZINC000381020300 360516596 /nfs/dbraw/zinc/51/65/96/360516596.db2.gz WFMUQSRHWYTETQ-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CCc1cnc([C@@H]2N[C@@H](C)CS2)s1 ZINC000306596543 360518290 /nfs/dbraw/zinc/51/82/90/360518290.db2.gz MPKYVTJGEJXCGH-IMTBSYHQSA-N 0 0 214.359 2.429 10 0 BEAERN CC(C)Cc1nnc(NC2CSC2)s1 ZINC000306596776 360518398 /nfs/dbraw/zinc/51/83/98/360518398.db2.gz YZHKOHRYJKUGCG-UHFFFAOYSA-N 0 0 229.374 2.264 10 0 BEAERN CNc1nc(C(Cl)(Cl)Cl)ns1 ZINC000039408663 360596014 /nfs/dbraw/zinc/59/60/14/360596014.db2.gz ZXKBSUAHWLHIIK-UHFFFAOYSA-N 0 0 232.523 2.407 10 0 BEAERN COC(=O)c1c(O)cc(F)cc1Br ZINC000306610191 360612750 /nfs/dbraw/zinc/61/27/50/360612750.db2.gz DWCZAKIETYUTEA-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN NC(=O)c1cccc(N[C@@H]2CCCSC2)c1 ZINC000061571707 181304982 /nfs/dbraw/zinc/30/49/82/181304982.db2.gz HECWHZPFKAEKLH-LLVKDONJSA-N 0 0 236.340 2.093 10 0 BEAERN NC(=O)c1ccnc(SCc2ccccc2)c1 ZINC000002524924 181307334 /nfs/dbraw/zinc/30/73/34/181307334.db2.gz OZGBSJBGQSMJOR-UHFFFAOYSA-N 0 0 244.319 2.473 10 0 BEAERN NC(=O)c1ccccc1Oc1cccc(F)c1N ZINC000037420221 181306410 /nfs/dbraw/zinc/30/64/10/181306410.db2.gz RXKIELYIKOHHJE-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN NC(=O)c1cnc2[nH]ccc2c1NC1CCCC1 ZINC000090585846 181308412 /nfs/dbraw/zinc/30/84/12/181308412.db2.gz SIZDILIANFOGGY-UHFFFAOYSA-N 0 0 244.298 2.016 10 0 BEAERN CCCc1cc(Br)n(C)n1 ZINC000238273805 360774862 /nfs/dbraw/zinc/77/48/62/360774862.db2.gz KZMVLWUTWYHARN-UHFFFAOYSA-N 0 0 203.083 2.135 10 0 BEAERN CCOC(=O)N[C@@H]1Cc2cccc(C)c2C1 ZINC000238283172 360781618 /nfs/dbraw/zinc/78/16/18/360781618.db2.gz ZPXIHIOZMGWRGE-LLVKDONJSA-N 0 0 219.284 2.208 10 0 BEAERN Cc1ncc(C(=O)Nc2ccccc2N)s1 ZINC000178377501 219865529 /nfs/dbraw/zinc/86/55/29/219865529.db2.gz JHZHDWMTJLCCGM-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN CCOc1cc(Br)c(F)cn1 ZINC000116878745 200688184 /nfs/dbraw/zinc/68/81/84/200688184.db2.gz BEVZLWQGRVQEOB-UHFFFAOYSA-N 0 0 220.041 2.382 10 0 BEAERN NC(=S)C(F)(F)c1ccc(F)cc1 ZINC000068576804 181315679 /nfs/dbraw/zinc/31/56/79/181315679.db2.gz ILIUIDRRZNOILJ-UHFFFAOYSA-N 0 0 205.204 2.204 10 0 BEAERN NC(=S)CCCOc1ccccc1F ZINC000019802526 181314998 /nfs/dbraw/zinc/31/49/98/181314998.db2.gz GZVLQLBFSUIMEO-UHFFFAOYSA-N 0 0 213.277 2.271 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000133384954 491152394 /nfs/dbraw/zinc/15/23/94/491152394.db2.gz MEQNKZLGBBQELW-RYUDHWBXSA-N 0 0 239.359 2.450 10 0 BEAERN NC(=S)COc1cccc(Br)c1 ZINC000019509484 181316315 /nfs/dbraw/zinc/31/63/15/181316315.db2.gz ZMBXQULUAILLSS-UHFFFAOYSA-N 0 0 246.129 2.114 10 0 BEAERN NC(=S)NCCc1ccc(Cl)cc1Cl ZINC000034971916 181318593 /nfs/dbraw/zinc/31/85/93/181318593.db2.gz YYXBSGDXJGYVHT-UHFFFAOYSA-N 0 0 249.166 2.369 10 0 BEAERN NC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000037390797 181318321 /nfs/dbraw/zinc/31/83/21/181318321.db2.gz XJJNZOZVKRZLNV-UHFFFAOYSA-N 0 0 234.368 2.185 10 0 BEAERN NC(=S)Cc1ccc(OC(F)F)cc1 ZINC000036818574 181317568 /nfs/dbraw/zinc/31/75/68/181317568.db2.gz UFCRQRWEBDXZQC-UHFFFAOYSA-N 0 0 217.240 2.117 10 0 BEAERN COc1cc(I)ncc1C ZINC000238366338 360950540 /nfs/dbraw/zinc/95/05/40/360950540.db2.gz WZAJOAMOTDOASZ-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN NC(=S)c1c(O)ccc2ccccc21 ZINC000083344002 181320732 /nfs/dbraw/zinc/32/07/32/181320732.db2.gz JPHPEGUCDANBTF-UHFFFAOYSA-N 0 0 203.266 2.180 10 0 BEAERN NC(=S)c1cc(NC2CCCC2)ccn1 ZINC000061811818 181320355 /nfs/dbraw/zinc/32/03/55/181320355.db2.gz QUOJENOXDOLROQ-UHFFFAOYSA-N 0 0 221.329 2.070 10 0 BEAERN Cc1c(N)cccc1C[S@](=O)C(C)C ZINC000040971949 360983321 /nfs/dbraw/zinc/98/33/21/360983321.db2.gz DCAAJXIYROLVGM-CQSZACIVSA-N 0 0 211.330 2.234 10 0 BEAERN Cc1ccc(C)c2c1C(=O)C[C@@H](C)[S@@]2=O ZINC000040973026 360984242 /nfs/dbraw/zinc/98/42/42/360984242.db2.gz SQYIVTHAGYDINL-RFAUZJTJSA-N 0 0 222.309 2.386 10 0 BEAERN C[C@H]1CC(=O)c2c(F)ccc(F)c2[S@@]1=O ZINC000040973361 360984308 /nfs/dbraw/zinc/98/43/08/360984308.db2.gz CZDLLWJRTLAPGV-SPHRHWQCSA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cccc2c1[S@](=O)CCCC2=O ZINC000040973369 360984550 /nfs/dbraw/zinc/98/45/50/360984550.db2.gz BOXNLRLYBJGLMH-AWEZNQCLSA-N 0 0 208.282 2.079 10 0 BEAERN COc1cc(C)nc(OC(F)(F)F)c1 ZINC000238384555 360988629 /nfs/dbraw/zinc/98/86/29/360988629.db2.gz VZQHQIRTAJRMLA-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN NC(=S)c1cccnc1OCc1ccccc1 ZINC000019802668 181321477 /nfs/dbraw/zinc/32/14/77/181321477.db2.gz GNLLBTXLARMXNM-UHFFFAOYSA-N 0 0 244.319 2.295 10 0 BEAERN NC(=S)c1ccc(NC(=O)C2CCC2)cc1 ZINC000019475453 181321012 /nfs/dbraw/zinc/32/10/12/181321012.db2.gz JVSJNLCSNOXYLU-UHFFFAOYSA-N 0 0 234.324 2.059 10 0 BEAERN NC(=S)c1cnc(-c2ccco2)s1 ZINC000082417759 181321828 /nfs/dbraw/zinc/32/18/28/181321828.db2.gz SRNRKBIPBIHHRB-UHFFFAOYSA-N 0 0 210.283 2.037 10 0 BEAERN NC(=S)c1ccnc(OC2CCCC2)c1 ZINC000019424041 181321845 /nfs/dbraw/zinc/32/18/45/181321845.db2.gz UWSCBVJUPZYGNY-UHFFFAOYSA-N 0 0 222.313 2.037 10 0 BEAERN NC(=S)c1cccnc1Nc1ccccc1 ZINC000019805523 181322031 /nfs/dbraw/zinc/32/20/31/181322031.db2.gz UBXBTECRKAZHGW-UHFFFAOYSA-N 0 0 229.308 2.459 10 0 BEAERN NC(=S)c1cccnc1NC1CCCCC1 ZINC000019805522 181322056 /nfs/dbraw/zinc/32/20/56/181322056.db2.gz LPRXTBJSXRADIF-UHFFFAOYSA-N 0 0 235.356 2.460 10 0 BEAERN CCCCC(=O)N(CCC)C[C@H]1CCOC1 ZINC000169762899 361071352 /nfs/dbraw/zinc/07/13/52/361071352.db2.gz IWXCSZJWEJJTCF-GFCCVEGCSA-N 0 0 227.348 2.452 10 0 BEAERN CCC[C@@H]([NH2+]CC1CC(C)(C)C1)C(=O)[O-] ZINC000629488353 361092650 /nfs/dbraw/zinc/09/26/50/361092650.db2.gz KZKKDZCTTUJIDZ-SNVBAGLBSA-N 0 0 213.321 2.266 10 0 BEAERN Clc1nc2c(c(N3CCCC3)n1)CCC2 ZINC000238519120 361134257 /nfs/dbraw/zinc/13/42/57/361134257.db2.gz GYZQHNSWQFDKSP-UHFFFAOYSA-N 0 0 223.707 2.219 10 0 BEAERN Cc1cnc(OC(F)(F)F)cc1C=O ZINC000238536200 361141489 /nfs/dbraw/zinc/14/14/89/361141489.db2.gz CKBUWPBDUDSJCB-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1cccc(OC(F)(F)F)c1CO ZINC000238538298 361141777 /nfs/dbraw/zinc/14/17/77/361141777.db2.gz STENKDRQHLUBTA-UHFFFAOYSA-N 0 0 206.163 2.386 10 0 BEAERN COC(=O)c1ccc2c(ccc(OC)c2C=O)c1 ZINC000036449738 361148770 /nfs/dbraw/zinc/14/87/70/361148770.db2.gz NIHJDHGFFHDHAH-UHFFFAOYSA-N 0 0 244.246 2.448 10 0 BEAERN CCC(O)(CC)c1cc(Cl)cnc1N ZINC000069943279 361172940 /nfs/dbraw/zinc/17/29/40/361172940.db2.gz OLLKGPWQXZMVJL-UHFFFAOYSA-N 0 0 214.696 2.325 10 0 BEAERN CC[C@@H](C)[C@H](O)c1cc(Cl)cnc1N ZINC000069943360 361173341 /nfs/dbraw/zinc/17/33/41/361173341.db2.gz KUUWLXALDJOUBU-MUWHJKNJSA-N 0 0 214.696 2.397 10 0 BEAERN CC(C)C[C@H](O)c1cc(Cl)cnc1N ZINC000069943381 361173741 /nfs/dbraw/zinc/17/37/41/361173741.db2.gz LQJJGKBEAFFJHI-VIFPVBQESA-N 0 0 214.696 2.397 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1cc(Cl)cnc1N ZINC000069943362 361173818 /nfs/dbraw/zinc/17/38/18/361173818.db2.gz KUUWLXALDJOUBU-HZGVNTEJSA-N 0 0 214.696 2.397 10 0 BEAERN O=c1ccoc(-c2nc3ccccc3[nH]2)c1 ZINC000238605285 361165052 /nfs/dbraw/zinc/16/50/52/361165052.db2.gz JQJFYAVKNGRUTA-UHFFFAOYSA-N 0 0 212.208 2.183 10 0 BEAERN Cc1cc(Cl)ccc1NC[C@@H](O)CF ZINC000306628113 361298801 /nfs/dbraw/zinc/29/88/01/361298801.db2.gz JHWVVBJPWDPEOG-VIFPVBQESA-N 0 0 217.671 2.391 10 0 BEAERN O[C@@H](c1coc(Br)c1)C1CC1 ZINC000306630076 361299734 /nfs/dbraw/zinc/29/97/34/361299734.db2.gz KLZHIBOZTUFDPD-MRVPVSSYSA-N 0 0 217.062 2.486 10 0 BEAERN CC[C@@H](Nc1nccc(OC)n1)C(C)C ZINC000162340430 361346620 /nfs/dbraw/zinc/34/66/20/361346620.db2.gz VRCHQUIHWINSHY-SECBINFHSA-N 0 0 209.293 2.332 10 0 BEAERN OCc1cc(OC(F)F)ccc1Cl ZINC000238724868 361372442 /nfs/dbraw/zinc/37/24/42/361372442.db2.gz LOVUKLIMYWNJRQ-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN Cc1ncc(-c2noc(Cl)n2)s1 ZINC000306633885 361364833 /nfs/dbraw/zinc/36/48/33/361364833.db2.gz SYVOBOHPGMUTTJ-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN COC(=O)c1cc(C)cc(OC(F)(F)F)n1 ZINC000381544428 361478839 /nfs/dbraw/zinc/47/88/39/361478839.db2.gz KAUCSRGUOSOFKK-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CC(C)C[C@@H](C)N(C)C(=O)C(F)(F)F ZINC000070233414 361489781 /nfs/dbraw/zinc/48/97/81/361489781.db2.gz ATDBYALOQBDCBG-SSDOTTSWSA-N 0 0 211.227 2.442 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C[C@@H]1CC1(Cl)Cl ZINC000306637075 361526435 /nfs/dbraw/zinc/52/64/35/361526435.db2.gz BDRAPSBDQXZFSO-FSDSQADBSA-N 0 0 222.115 2.095 10 0 BEAERN C[C@@H]1CSCCN1c1ccccc1N ZINC000070559381 361536542 /nfs/dbraw/zinc/53/65/42/361536542.db2.gz XEZJVVGDNZLYSU-SECBINFHSA-N 0 0 208.330 2.211 10 0 BEAERN COC(=O)c1cccc(NC2CCOCC2)c1C ZINC000037047330 361596745 /nfs/dbraw/zinc/59/67/45/361596745.db2.gz TZZORCZTGDFAIA-UHFFFAOYSA-N 0 0 249.310 2.373 10 0 BEAERN O=C(c1sc(Cl)nc1Cl)N1CCC1 ZINC000306638065 361584910 /nfs/dbraw/zinc/58/49/10/361584910.db2.gz BRUPAPMMYZNVTR-UHFFFAOYSA-N 0 0 237.111 2.296 10 0 BEAERN OCc1nc(Cc2ccccc2)cs1 ZINC000070601624 361585583 /nfs/dbraw/zinc/58/55/83/361585583.db2.gz XOVSJOWCUXWHGU-UHFFFAOYSA-N 0 0 205.282 2.226 10 0 BEAERN COc1c(F)ccc(O)c1Br ZINC000306638053 361585641 /nfs/dbraw/zinc/58/56/41/361585641.db2.gz GCHRRDRSOCEBAT-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN Fc1cccc(Cl)c1CNCc1cn[nH]c1 ZINC000038005822 361658818 /nfs/dbraw/zinc/65/88/18/361658818.db2.gz HISGOLBYSHBWCE-UHFFFAOYSA-N 0 0 239.681 2.492 10 0 BEAERN CC[C@@H](Nc1cc(COC)ncn1)C(C)C ZINC000310018043 491160198 /nfs/dbraw/zinc/16/01/98/491160198.db2.gz LVIMWEIULFHPNA-LLVKDONJSA-N 0 0 223.320 2.470 10 0 BEAERN CC(=O)CC(=O)NC1CCC(C)(C)CC1 ZINC000070655347 361699640 /nfs/dbraw/zinc/69/96/40/361699640.db2.gz LZQWGWXDSPZQHU-UHFFFAOYSA-N 0 0 211.305 2.051 10 0 BEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000070683859 361719504 /nfs/dbraw/zinc/71/95/04/361719504.db2.gz PULISGZWZRZSLK-GFCCVEGCSA-N 0 0 213.321 2.408 10 0 BEAERN COC(=O)c1cc(N)c(OC)cc1C(F)(F)F ZINC000214900283 363884292 /nfs/dbraw/zinc/88/42/92/363884292.db2.gz XYBWONQJBCSETG-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCc1cc(Cl)nc(-c2cnccn2)n1 ZINC000037370151 363887959 /nfs/dbraw/zinc/88/79/59/363887959.db2.gz YRYSXLWFBCIOCR-UHFFFAOYSA-N 0 0 220.663 2.149 10 0 BEAERN Cn1cc(Oc2ccccc2C=O)cn1 ZINC000161287681 363918643 /nfs/dbraw/zinc/91/86/43/363918643.db2.gz KYRISXMXMWFIOX-UHFFFAOYSA-N 0 0 202.213 2.025 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCCC21CCCC1 ZINC000307154644 541314832 /nfs/dbraw/zinc/31/48/32/541314832.db2.gz UZLNPSMBVRJVLS-CABZTGNLSA-N 0 0 210.273 2.041 10 0 BEAERN CCOC(=O)c1cc(O)cc(Cl)c1 ZINC000139457855 363934042 /nfs/dbraw/zinc/93/40/42/363934042.db2.gz ANIBLKUGYGJULJ-UHFFFAOYSA-N 0 0 200.621 2.222 10 0 BEAERN O=C(Cc1ccco1)[C@H]1CSCCS1 ZINC000130676846 364022554 /nfs/dbraw/zinc/02/25/54/364022554.db2.gz RJURABREDLTYGJ-SNVBAGLBSA-N 0 0 228.338 2.240 10 0 BEAERN C[C@@H]1C[C@H](C)[C@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000725262113 541335143 /nfs/dbraw/zinc/33/51/43/541335143.db2.gz XALJRSYFAUVNHU-VWYCJHECSA-N 0 0 243.347 2.260 10 0 BEAERN C[C@@H]1C[C@H](C)[C@@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000725262112 541335246 /nfs/dbraw/zinc/33/52/46/541335246.db2.gz XALJRSYFAUVNHU-OUAUKWLOSA-N 0 0 243.347 2.260 10 0 BEAERN CCC(C)(C)[C@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000725268690 541338231 /nfs/dbraw/zinc/33/82/31/541338231.db2.gz YIXJRVSOJXBPBZ-STQMWFEESA-N 0 0 234.343 2.403 10 0 BEAERN NCC(F)(F)c1cccc2cnccc21 ZINC000035570149 181357480 /nfs/dbraw/zinc/35/74/80/181357480.db2.gz JNRPJAUFGFZMKF-UHFFFAOYSA-N 0 0 208.211 2.285 10 0 BEAERN Nc1c(Cl)cccc1N1CCCC1=O ZINC000725273551 541341108 /nfs/dbraw/zinc/34/11/08/541341108.db2.gz KOYBEPNXXRPKTM-UHFFFAOYSA-N 0 0 210.664 2.049 10 0 BEAERN Cc1nn(Cc2ccc(C=O)o2)cc1Cl ZINC000161302487 364242506 /nfs/dbraw/zinc/24/25/06/364242506.db2.gz HTONGDPKCRJVDI-UHFFFAOYSA-N 0 0 224.647 2.299 10 0 BEAERN Cc1cccc(OCCNC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000170793405 364245004 /nfs/dbraw/zinc/24/50/04/364245004.db2.gz YJDTZVZTCZINMR-AAEUAGOBSA-N 0 0 248.326 2.081 10 0 BEAERN CCC1(Cn2ccc(=O)c(N)c2)CCC1 ZINC000309004627 541352832 /nfs/dbraw/zinc/35/28/32/541352832.db2.gz TVULMAPQQUWNQN-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN Nc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000038272720 364363084 /nfs/dbraw/zinc/36/30/84/364363084.db2.gz KTPOTSMRJDWAEJ-ZDUSSCGKSA-N 0 0 242.326 2.329 10 0 BEAERN Brc1ccccc1OCC1COC1 ZINC000217473148 364451494 /nfs/dbraw/zinc/45/14/94/364451494.db2.gz RDYFXDZJFNNMFZ-UHFFFAOYSA-N 0 0 243.100 2.474 10 0 BEAERN CN(C)NCc1cc(F)ccc1Br ZINC000214941538 364459831 /nfs/dbraw/zinc/45/98/31/364459831.db2.gz DRNUXPRVLIHDOZ-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000134967287 364422031 /nfs/dbraw/zinc/42/20/31/364422031.db2.gz SMZBYKDETXIYPU-JTQLQIEISA-N 0 0 207.273 2.398 10 0 BEAERN O=C([O-])[C@@H]1CCS[C@H](C2CCCCC2)[NH2+]1 ZINC000037737027 364564976 /nfs/dbraw/zinc/56/49/76/364564976.db2.gz WVINVWAGGOHOHZ-VHSXEESVSA-N 0 0 229.345 2.073 10 0 BEAERN O=C([O-])[C@H]1CCS[C@H](C2CCCCC2)[NH2+]1 ZINC000037737029 364565023 /nfs/dbraw/zinc/56/50/23/364565023.db2.gz WVINVWAGGOHOHZ-NXEZZACHSA-N 0 0 229.345 2.073 10 0 BEAERN C[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCS1 ZINC000250804365 364540018 /nfs/dbraw/zinc/54/00/18/364540018.db2.gz QGVRSBUYYJVYAN-NOHGZBONSA-N 0 0 239.384 2.434 10 0 BEAERN Cc1cc(=O)c2c([nH]1)onc2C(F)(F)F ZINC000669384274 541437570 /nfs/dbraw/zinc/43/75/70/541437570.db2.gz RNYUNBZEZXAYBF-UHFFFAOYSA-N 0 0 218.134 2.256 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]12CCC21CCCC1 ZINC000669384227 541437665 /nfs/dbraw/zinc/43/76/65/541437665.db2.gz QLHNQLQKHLMJKB-PWSUYJOCSA-N 0 0 210.273 2.041 10 0 BEAERN CCCSCC(=O)N1CCS[C@@H](C)C1 ZINC000171583099 365219943 /nfs/dbraw/zinc/21/99/43/365219943.db2.gz ANZRRAIVZPXAML-VIFPVBQESA-N 0 0 233.402 2.094 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000171456506 365201418 /nfs/dbraw/zinc/20/14/18/365201418.db2.gz LQSMVURNQNBAGE-JTQLQIEISA-N 0 0 237.299 2.225 10 0 BEAERN COCc1cc(OC)c(C(C)=O)c(OC)c1 ZINC000116666974 370811101 /nfs/dbraw/zinc/81/11/01/370811101.db2.gz LLOBYAPCTKUWJB-UHFFFAOYSA-N 0 0 224.256 2.053 10 0 BEAERN CCc1nnc(CN2[C@H](C)CCC[C@@H]2C)n1C ZINC000171741604 365231255 /nfs/dbraw/zinc/23/12/55/365231255.db2.gz YCGSFIBBSUXGBN-PHIMTYICSA-N 0 0 236.363 2.140 10 0 BEAERN CC(C)n1ccnc1CN1[C@H](C)COC[C@@H]1C ZINC000172668905 365368413 /nfs/dbraw/zinc/36/84/13/365368413.db2.gz OZWOMXBDGOFGLZ-TXEJJXNPSA-N 0 0 237.347 2.073 10 0 BEAERN COC[C@@H](C)SCc1nnc(C(C)C)n1C ZINC000182356411 366889682 /nfs/dbraw/zinc/88/96/82/366889682.db2.gz RUVMRUWSKGFWQJ-SECBINFHSA-N 0 0 243.376 2.207 10 0 BEAERN C[C@@H]1CCC[C@H]([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C1 ZINC000675060379 541463454 /nfs/dbraw/zinc/46/34/54/541463454.db2.gz YBUGTGKEUISHQB-WRWGMCAJSA-N 0 0 225.332 2.123 10 0 BEAERN CC(C)[C@@H]1CCNc2nc(C(F)F)nn21 ZINC000312888938 541468840 /nfs/dbraw/zinc/46/88/40/541468840.db2.gz HKEJELGOIKYIOI-LURJTMIESA-N 0 0 216.235 2.228 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)[C@@H]1C[C@@H]1C ZINC000321765517 541494014 /nfs/dbraw/zinc/49/40/14/541494014.db2.gz OQBYNMIWSARDJL-IVZWLZJFSA-N 0 0 214.305 2.247 10 0 BEAERN CNC(=O)c1ccc(/C=C/Br)cc1 ZINC000685964069 541498016 /nfs/dbraw/zinc/49/80/16/541498016.db2.gz TUYNDRXIZVFHLH-VOTSOKGWSA-N 0 0 240.100 2.412 10 0 BEAERN Nc1nn(COCc2ccccc2)cc1Cl ZINC000230079229 541500310 /nfs/dbraw/zinc/50/03/10/541500310.db2.gz DRPGFONIGDZWFM-UHFFFAOYSA-N 0 0 237.690 2.293 10 0 BEAERN CCc1cc2n(n1)[C@H](C(F)(F)F)CCN2 ZINC000234184962 541511552 /nfs/dbraw/zinc/51/15/52/541511552.db2.gz PJGRULBABSDJTB-ZETCQYMHSA-N 0 0 219.210 2.365 10 0 BEAERN CCc1nc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000234231726 541512034 /nfs/dbraw/zinc/51/20/34/541512034.db2.gz HHRTWMGVGAKZFM-NTSWFWBYSA-N 0 0 234.225 2.148 10 0 BEAERN CS[C@H](C)CC(=O)N[C@H](C)C(C)C ZINC000156674948 201464318 /nfs/dbraw/zinc/46/43/18/201464318.db2.gz GHJVFALBDXZLLK-RKDXNWHRSA-N 0 0 203.351 2.289 10 0 BEAERN COP(=O)(CC(=O)c1ccccc1)OC ZINC000143411063 541508654 /nfs/dbraw/zinc/50/86/54/541508654.db2.gz MBYFZYKLKDLPEU-UHFFFAOYSA-N 0 0 228.184 2.355 10 0 BEAERN CCCc1cc2n(n1)[C@H](C(F)F)CCN2 ZINC000233376934 541508721 /nfs/dbraw/zinc/50/87/21/541508721.db2.gz KUIRZSUVKDRMOL-QMMMGPOBSA-N 0 0 215.247 2.457 10 0 BEAERN CCOC(=O)[C@H](O)C1=CCCCCCC1 ZINC000233687421 541508781 /nfs/dbraw/zinc/50/87/81/541508781.db2.gz XASJKHWPFAYNBK-LLVKDONJSA-N 0 0 212.289 2.191 10 0 BEAERN C[C@H]1C[C@@H](C(=O)NCc2cc[nH]n2)CC(C)(C)C1 ZINC000183262332 367006659 /nfs/dbraw/zinc/00/66/59/367006659.db2.gz MUDMVDCYTDZQKA-WDEREUQCSA-N 0 0 249.358 2.488 10 0 BEAERN CC(C)c1nnc(CN(C)[C@H](C)C2CC2)n1C ZINC000195111980 367339203 /nfs/dbraw/zinc/33/92/03/367339203.db2.gz PUDLTMJVTZQSRE-SNVBAGLBSA-N 0 0 236.363 2.169 10 0 BEAERN CO[C@@H]1[C@@H](C)[C@@H](NCC(C)(F)F)C12CCC2 ZINC000382039102 367481966 /nfs/dbraw/zinc/48/19/66/367481966.db2.gz WXPXQXLYMOXFJQ-IVZWLZJFSA-N 0 0 233.302 2.435 10 0 BEAERN Cc1cc(=NCc2scnc2C2CC2)[nH]o1 ZINC000381617351 367439210 /nfs/dbraw/zinc/43/92/10/367439210.db2.gz WEXVEMMNTNHXNN-UHFFFAOYSA-N 0 0 235.312 2.351 10 0 BEAERN CCCC[C@H](C)C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000385011071 367772908 /nfs/dbraw/zinc/77/29/08/367772908.db2.gz NHMRAELYIXDRMY-SDDRHHMPSA-N 0 0 227.348 2.185 10 0 BEAERN C[C@H](CC(C)(C)O)NC(=O)[C@H]1CCC[C@@H]1C ZINC000385255682 367813466 /nfs/dbraw/zinc/81/34/66/367813466.db2.gz XREKFHZULMGSFI-AXFHLTTASA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)c1nsc(N2CCC[C@@H](O)[C@@H]2C)n1 ZINC000385099954 367791204 /nfs/dbraw/zinc/79/12/04/367791204.db2.gz ZNHZUTQVZOKSGW-DTWKUNHWSA-N 0 0 241.360 2.011 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000527391890 367998991 /nfs/dbraw/zinc/99/89/91/367998991.db2.gz ZWNGVVQSPNRXQL-NSHDSACASA-N 0 0 249.310 2.441 10 0 BEAERN C[C@@H]1CCCCC[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386916967 368035140 /nfs/dbraw/zinc/03/51/40/368035140.db2.gz CZGHHXATYJQTFY-SECBINFHSA-N 0 0 238.287 2.137 10 0 BEAERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[C@H](O)C(C)(C)C ZINC000252901759 368164012 /nfs/dbraw/zinc/16/40/12/368164012.db2.gz LNFKTTWUNFXRMN-DAWVFNFOSA-N 0 0 200.322 2.453 10 0 BEAERN C[C@H]1Oc2c(ccc(Cl)c2F)[C@H]1O ZINC000130738175 368138939 /nfs/dbraw/zinc/13/89/39/368138939.db2.gz GZDAFVMCUVCBHP-VHWMUFPASA-N 0 0 202.612 2.293 10 0 BEAERN CC1(C)CC[C@H](O)[C@@H](OCC(F)F)C1 ZINC000130770061 368142455 /nfs/dbraw/zinc/14/24/55/368142455.db2.gz CAVZYZZWDKBJLS-YUMQZZPRSA-N 0 0 208.248 2.208 10 0 BEAERN CCC(=O)Nc1ccnc(Br)c1 ZINC000225078027 368142775 /nfs/dbraw/zinc/14/27/75/368142775.db2.gz LDVPGOAEOCRNAI-UHFFFAOYSA-N 0 0 229.077 2.193 10 0 BEAERN Brc1cncc2c1CCCO2 ZINC000147005518 368308201 /nfs/dbraw/zinc/30/82/01/368308201.db2.gz CYHUILOIZFHIKS-UHFFFAOYSA-N 0 0 214.062 2.169 10 0 BEAERN OCCC(O)(c1ccccc1)c1ccccc1 ZINC000038524751 368328004 /nfs/dbraw/zinc/32/80/04/368328004.db2.gz RSDGWNARVDXTQA-UHFFFAOYSA-N 0 0 228.291 2.305 10 0 BEAERN OCc1ccc(/C=C/c2ccncc2)nc1 ZINC000039169538 368329089 /nfs/dbraw/zinc/32/90/89/368329089.db2.gz LAVVAIBBDLWYJI-HNQUOIGGSA-N 0 0 212.252 2.139 10 0 BEAERN O=C(c1ccccc1)c1cccc2c1CC(=O)N2 ZINC000039334349 368330194 /nfs/dbraw/zinc/33/01/94/368330194.db2.gz NCKMRUDWQDBPAO-UHFFFAOYSA-N 0 0 237.258 2.412 10 0 BEAERN CC(C)OP(=O)(OC(C)C)[C@H](C)O ZINC000039374874 368330391 /nfs/dbraw/zinc/33/03/91/368330391.db2.gz NNNOPUDYMBHJBR-MRVPVSSYSA-N 0 0 210.210 2.368 10 0 BEAERN COC(=O)c1ccc2oc(CCCO)cc2c1 ZINC000102254201 368340677 /nfs/dbraw/zinc/34/06/77/368340677.db2.gz KOLLXBPKPCEUEB-UHFFFAOYSA-N 0 0 234.251 2.144 10 0 BEAERN COC(=O)c1ccc([C@](C)(O)C(C)C)cc1 ZINC000118421299 368344358 /nfs/dbraw/zinc/34/43/58/368344358.db2.gz VHLYNDZXYUMQRL-CYBMUJFWSA-N 0 0 222.284 2.337 10 0 BEAERN N#CNC1=NCCC[C@@H]1Cc1ccc(Cl)nc1 ZINC000048523296 368377502 /nfs/dbraw/zinc/37/75/02/368377502.db2.gz FSDBLBOTOPEXJU-SNVBAGLBSA-N 0 0 248.717 2.157 10 0 BEAERN CC(C)(C)NC1=CC(=O)OC12CCCC2 ZINC000048564586 368379531 /nfs/dbraw/zinc/37/95/31/368379531.db2.gz VCDUAMWAJKDARB-UHFFFAOYSA-N 0 0 209.289 2.128 10 0 BEAERN COc1ccc(-c2nc(C)c(CO)o2)cc1 ZINC000144275975 368393755 /nfs/dbraw/zinc/39/37/55/368393755.db2.gz QMNOBFPZRCXQNV-UHFFFAOYSA-N 0 0 219.240 2.151 10 0 BEAERN COC(CNC(=O)CCC1CCCCC1)OC ZINC000057723374 1172363490 /nfs/dbraw/zinc/36/34/90/1172363490.db2.gz DCLURERSNJHEKH-UHFFFAOYSA-N 0 0 243.347 2.082 10 0 BEAERN CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000046625641 368447229 /nfs/dbraw/zinc/44/72/29/368447229.db2.gz ZZEDLSVVHXWMLT-ZDUSSCGKSA-N 0 0 221.275 2.379 10 0 BEAERN O=C1CCN2c3ccccc3CC[C@@H]2C1 ZINC000000006956 368475746 /nfs/dbraw/zinc/47/57/46/368475746.db2.gz MYAIDKISTKRVSQ-LLVKDONJSA-N 0 0 201.269 2.171 10 0 BEAERN COc1cc2c(cc1C(C)=O)OCS2 ZINC000108381200 368574429 /nfs/dbraw/zinc/57/44/29/368574429.db2.gz IPSLMMHAWLBZJQ-UHFFFAOYSA-N 0 0 210.254 2.340 10 0 BEAERN C[C@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000081561588 368607409 /nfs/dbraw/zinc/60/74/09/368607409.db2.gz FUOFVLFEHJAGIE-SNVBAGLBSA-N 0 0 203.285 2.144 10 0 BEAERN COc1ccc2[nH]c(C)c(CCNC(C)=O)c2c1 ZINC000001843516 368709724 /nfs/dbraw/zinc/70/97/24/368709724.db2.gz NWKYEVRJMWWEHI-UHFFFAOYSA-N 0 0 246.310 2.164 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000457002812 203000410 /nfs/dbraw/zinc/00/04/10/203000410.db2.gz NNECXIQZHKOZIP-UTUOFQBUSA-N 0 0 241.375 2.288 10 0 BEAERN O=c1cc[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000082014202 370943615 /nfs/dbraw/zinc/94/36/15/370943615.db2.gz OPCGEBZEEMJFJY-LLVKDONJSA-N 0 0 239.274 2.288 10 0 BEAERN Cc1cccc(CNC(=O)N(C)CC2CCC2)n1 ZINC000111469493 368857902 /nfs/dbraw/zinc/85/79/02/368857902.db2.gz OGCXRYSZRUMXAL-UHFFFAOYSA-N 0 0 247.342 2.332 10 0 BEAERN Cc1noc(C)c1C(=O)N[C@H](C)C(C)(C)C ZINC000112251362 368869670 /nfs/dbraw/zinc/86/96/70/368869670.db2.gz KREVMYOWRSBILO-SECBINFHSA-N 0 0 224.304 2.456 10 0 BEAERN CC(C)(C)Cn1c(N)nc2cccnc21 ZINC000086160007 368874384 /nfs/dbraw/zinc/87/43/84/368874384.db2.gz AVDHILIQHSGXBY-UHFFFAOYSA-N 0 0 204.277 2.060 10 0 BEAERN O=C1CCC[C@@]2(c3ccccc3)OCCCN12 ZINC000003636671 368875919 /nfs/dbraw/zinc/87/59/19/368875919.db2.gz JAYUUVKVDZGYBL-AWEZNQCLSA-N 0 0 231.295 2.272 10 0 BEAERN CCOC(=O)C[C@H]1CCCc2cccnc21 ZINC000086734525 368883940 /nfs/dbraw/zinc/88/39/40/368883940.db2.gz SRWQONDOPOMPFZ-LLVKDONJSA-N 0 0 219.284 2.455 10 0 BEAERN C[NH+](C)Cc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000113628979 368899352 /nfs/dbraw/zinc/89/93/52/368899352.db2.gz OHAFUYYFYNUAOA-UHFFFAOYSA-N 0 0 247.216 2.465 10 0 BEAERN CCOc1ccccc1NN=C(C(C)=O)C(C)=O ZINC000114006373 368915732 /nfs/dbraw/zinc/91/57/32/368915732.db2.gz LOKIITTYQLGTGK-UHFFFAOYSA-N 0 0 248.282 2.031 10 0 BEAERN CCOCCN(C)C(=O)N[C@H](C)C(C)(C)C ZINC000089217189 368940052 /nfs/dbraw/zinc/94/00/52/368940052.db2.gz OIMVYXKJNAGGIS-SNVBAGLBSA-N 0 0 230.352 2.099 10 0 BEAERN CC1(CCOCc2ccccc2)OCCO1 ZINC000114441966 368940845 /nfs/dbraw/zinc/94/08/45/368940845.db2.gz BKZOPLILBSIAKX-UHFFFAOYSA-N 0 0 222.284 2.356 10 0 BEAERN Brc1ccc2ncc3nncn3c2c1 ZINC000114610762 368944738 /nfs/dbraw/zinc/94/47/38/368944738.db2.gz WDJUJUBSCYNVNF-UHFFFAOYSA-N 0 0 249.071 2.040 10 0 BEAERN CC(C)[N@@H+](CC(=O)[O-])C[C@H]1Cc2ccccc21 ZINC000090978059 369002846 /nfs/dbraw/zinc/00/28/46/369002846.db2.gz LXRNAHDIJJDTRZ-GFCCVEGCSA-N 0 0 233.311 2.121 10 0 BEAERN CCOC(=O)CN(CC)C[C@@H]1Cc2ccccc21 ZINC000090981390 369002892 /nfs/dbraw/zinc/00/28/92/369002892.db2.gz NNUPSIVIHJGYLO-ZDUSSCGKSA-N 0 0 247.338 2.211 10 0 BEAERN C[C@]1(C(=O)[O-])CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090978152 369002915 /nfs/dbraw/zinc/00/29/15/369002915.db2.gz KCGNKDITBJVVOQ-WFASDCNBSA-N 0 0 245.322 2.123 10 0 BEAERN CCOC(=O)COc1cc(C)c(C=O)c(C)c1 ZINC000115663458 369004238 /nfs/dbraw/zinc/00/42/38/369004238.db2.gz WDVBSIAJLBMUAE-UHFFFAOYSA-N 0 0 236.267 2.058 10 0 BEAERN O=C([O-])[C@H]1CC[N@@H+]1[C@H](c1ccccc1)C1CC1 ZINC000002525584 369005582 /nfs/dbraw/zinc/00/55/82/369005582.db2.gz IGZBEONIJJAHDG-CHWSQXEVSA-N 0 0 231.295 2.297 10 0 BEAERN O=S(=O)(/C=C/Br)c1ccccc1 ZINC000005874018 369030592 /nfs/dbraw/zinc/03/05/92/369030592.db2.gz YUBGBKDZYCBVSL-VOTSOKGWSA-N 0 0 247.113 2.326 10 0 BEAERN O=C1CCC[C@@H](n2nc3ccccc3n2)C1 ZINC000005949231 369031657 /nfs/dbraw/zinc/03/16/57/369031657.db2.gz REHWEYVGLVDDPD-SECBINFHSA-N 0 0 215.256 2.116 10 0 BEAERN O=CNc1cc(C2CC2)nn1-c1ccccc1 ZINC000616220662 369063741 /nfs/dbraw/zinc/06/37/41/369063741.db2.gz KJGCHRJOEYOFBC-UHFFFAOYSA-N 0 0 227.267 2.318 10 0 BEAERN Cc1cncc([C@@H](O)[C@@H]2CCSC2)c1 ZINC000161494684 369121719 /nfs/dbraw/zinc/12/17/19/369121719.db2.gz BDKWZZHKKZGJMO-KOLCDFICSA-N 0 0 209.314 2.177 10 0 BEAERN O[C@@H](Cc1ccco1)[C@H]1CCCCS1 ZINC000130871728 369122244 /nfs/dbraw/zinc/12/22/44/369122244.db2.gz KNCNBQVZNVYMKH-WDEREUQCSA-N 0 0 212.314 2.469 10 0 BEAERN C[C@H](C(=O)N1CCC[C@H]1CCCO)C1CCC1 ZINC000457671419 203088964 /nfs/dbraw/zinc/08/89/64/203088964.db2.gz ODLIKAHOMUVMHD-AAEUAGOBSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1nc(N(C)C(C)C)sc1[C@H](C)O ZINC000054910461 369110148 /nfs/dbraw/zinc/11/01/48/369110148.db2.gz XCFAWKIAYJKLQE-QMMMGPOBSA-N 0 0 214.334 2.349 10 0 BEAERN CC(C)(C)[C@@H]1CN(C(N)=O)c2ccccc2N1 ZINC000616692002 369114192 /nfs/dbraw/zinc/11/41/92/369114192.db2.gz HUNUOFRTEGLCRO-NSHDSACASA-N 0 0 233.315 2.412 10 0 BEAERN C[C@@H](O)C(=O)c1ccc(F)c(Cl)c1 ZINC000106880938 369214362 /nfs/dbraw/zinc/21/43/62/369214362.db2.gz FSDSAUAIFVGUMP-RXMQYKEDSA-N 0 0 202.612 2.043 10 0 BEAERN Clc1nc2c(Br)cccn2n1 ZINC000148172361 259537287 /nfs/dbraw/zinc/53/72/87/259537287.db2.gz WYMZXLOITHKGTF-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CC[C@@H](CSC)NC(=O)N[C@@H](C)C(C)C ZINC000091597150 369466404 /nfs/dbraw/zinc/46/64/04/369466404.db2.gz HNPRDUKQUPXGSV-UWVGGRQHSA-N 0 0 232.393 2.472 10 0 BEAERN Cc1ccsc1-c1csc(=NN)[nH]1 ZINC000069637132 370966201 /nfs/dbraw/zinc/96/62/01/370966201.db2.gz BCDBNPWFYXDKSW-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN CCC[C@@H](CC(C)C)C(=O)NC1CC(CO)C1 ZINC000620880667 370035463 /nfs/dbraw/zinc/03/54/63/370035463.db2.gz WZZADXLOGCUKNX-CPCZMJQVSA-N 0 0 241.375 2.336 10 0 BEAERN CNc1nc2ccc(C)cc2cc1CO ZINC000205603656 369982158 /nfs/dbraw/zinc/98/21/58/369982158.db2.gz FUKMVUQIGDVHKO-UHFFFAOYSA-N 0 0 202.257 2.077 10 0 BEAERN O=C1N[C@@H](Cc2ccccc2)c2cc(O)ccc21 ZINC000206897456 370211074 /nfs/dbraw/zinc/21/10/74/370211074.db2.gz QDYOSINPFKWZGD-AWEZNQCLSA-N 0 0 239.274 2.419 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)C(C1CC1)C1CC1 ZINC000075981086 370197119 /nfs/dbraw/zinc/19/71/19/370197119.db2.gz DXLYLKDOZDBRDI-KWQFWETISA-N 0 0 222.332 2.225 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)CC1CCCC1 ZINC000075981364 370197573 /nfs/dbraw/zinc/19/75/73/370197573.db2.gz GERJZSWMJQLSHX-GXSJLCMTSA-N 0 0 210.321 2.226 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1ccccc1F ZINC000075982701 370197579 /nfs/dbraw/zinc/19/75/79/370197579.db2.gz FIWJKECCVZTKBS-JOYOIKCWSA-N 0 0 236.290 2.376 10 0 BEAERN CC(C)c1nccnc1N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621349846 370284517 /nfs/dbraw/zinc/28/45/17/370284517.db2.gz VAJXKURPPSSFLH-VXGBXAGGSA-N 0 0 249.358 2.055 10 0 BEAERN C[C@H](NC(N)=O)c1ccc(F)cc1Cl ZINC000077535865 370429588 /nfs/dbraw/zinc/42/95/88/370429588.db2.gz NZLHBVNFRHHWOM-YFKPBYRVSA-N 0 0 216.643 2.208 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000077102507 370394479 /nfs/dbraw/zinc/39/44/79/370394479.db2.gz NJKWUBVKNJHNKM-ZIAGYGMSSA-N 0 0 247.338 2.337 10 0 BEAERN O=C(OCc1ccccc1)[C@H]1CCc2ccnn21 ZINC000115066410 370620607 /nfs/dbraw/zinc/62/06/07/370620607.db2.gz NXDMHZNTTCLSAN-CYBMUJFWSA-N 0 0 242.278 2.114 10 0 BEAERN C[C@H]1CCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000349896333 370625986 /nfs/dbraw/zinc/62/59/86/370625986.db2.gz RPFVBEWMGNZHMH-IUCAKERBSA-N 0 0 230.271 2.430 10 0 BEAERN CCCCN(CC)C(=O)c1cc(N)cnc1C ZINC000038094914 168795812 /nfs/dbraw/zinc/79/58/12/168795812.db2.gz DTHUBXZFZGCXPD-UHFFFAOYSA-N 0 0 235.331 2.234 10 0 BEAERN N[C@@H](c1nc2ncccc2o1)c1ccccc1 ZINC000082540051 181633726 /nfs/dbraw/zinc/63/37/26/181633726.db2.gz BOBCSKSGKSHXRL-LLVKDONJSA-N 0 0 225.251 2.271 10 0 BEAERN Nc1c2ncsc2ccc1NC[C@@H]1CCCO1 ZINC000035344381 181671344 /nfs/dbraw/zinc/67/13/44/181671344.db2.gz WZEVJIAMLCTCMO-QMMMGPOBSA-N 0 0 249.339 2.469 10 0 BEAERN Nc1cc(CN2CCc3ccccc32)ccn1 ZINC000052709612 181682229 /nfs/dbraw/zinc/68/22/29/181682229.db2.gz HBACSLLSAMCNDD-UHFFFAOYSA-N 0 0 225.295 2.227 10 0 BEAERN Nc1cc(Cl)ccc1Cn1ccccc1=O ZINC000050443289 181684368 /nfs/dbraw/zinc/68/43/68/181684368.db2.gz XJWOKACYNZOPPE-UHFFFAOYSA-N 0 0 234.686 2.132 10 0 BEAERN Nc1cc(Cl)ccc1[C@@H](N)C(F)(F)F ZINC000072194936 181684829 /nfs/dbraw/zinc/68/48/29/181684829.db2.gz OLYIMXCUZCYDSN-SSDOTTSWSA-N 0 0 224.613 2.484 10 0 BEAERN Nc1cc(F)ccc1NCCc1ccncc1 ZINC000048261145 181686628 /nfs/dbraw/zinc/68/66/28/181686628.db2.gz VKWLRUJILFZBDT-UHFFFAOYSA-N 0 0 231.274 2.458 10 0 BEAERN Nc1cc(F)ccc1Sc1nncs1 ZINC000019869401 181687604 /nfs/dbraw/zinc/68/76/04/181687604.db2.gz OVVDTJIGNQYJBC-UHFFFAOYSA-N 0 0 227.289 2.411 10 0 BEAERN CCOCCCC(=O)NCCCCSC ZINC000125767875 371395205 /nfs/dbraw/zinc/39/52/05/371395205.db2.gz LAICJTLVRZLRPR-UHFFFAOYSA-N 0 0 233.377 2.063 10 0 BEAERN CSCCCCNC(=O)CCOC(C)C ZINC000125775259 371397705 /nfs/dbraw/zinc/39/77/05/371397705.db2.gz GADARGTUZADKCW-UHFFFAOYSA-N 0 0 233.377 2.061 10 0 BEAERN Nc1ccc(-c2nc(-c3cccnc3)no2)s1 ZINC000102030000 181695736 /nfs/dbraw/zinc/69/57/36/181695736.db2.gz GYICCAGSHAWBRH-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN Nc1ccc(-c2nc(-c3cccs3)no2)cn1 ZINC000045894976 181696882 /nfs/dbraw/zinc/69/68/82/181696882.db2.gz KLXQKBBUXSJNSP-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN Nc1ccc(Cl)c([C@H](N)C(F)(F)F)c1 ZINC000072190707 181709491 /nfs/dbraw/zinc/70/94/91/181709491.db2.gz VGRZXSBMQHWKMV-ZETCQYMHSA-N 0 0 224.613 2.484 10 0 BEAERN Nc1ccc(F)c(NC(=O)c2ccoc2)c1 ZINC000022145357 181710565 /nfs/dbraw/zinc/71/05/65/181710565.db2.gz FKKNLCVXRLKMGB-UHFFFAOYSA-N 0 0 220.203 2.253 10 0 BEAERN Nc1ccc(F)cc1-n1cc(Cl)cn1 ZINC000052122203 181711951 /nfs/dbraw/zinc/71/19/51/181711951.db2.gz FYPKEDGDFMHGGI-UHFFFAOYSA-N 0 0 211.627 2.247 10 0 BEAERN Nc1cccc(Cl)c1OC1CCOCC1 ZINC000040887160 181745080 /nfs/dbraw/zinc/74/50/80/181745080.db2.gz GYDGWSXIGSUFGM-UHFFFAOYSA-N 0 0 227.691 2.480 10 0 BEAERN Nc1ccc(S[C@H]2CCCC[C@@H]2O)nc1 ZINC000037691875 181725524 /nfs/dbraw/zinc/72/55/24/181725524.db2.gz VRCNGMBDGMZQFZ-UWVGGRQHSA-N 0 0 224.329 2.059 10 0 BEAERN Nc1ccsc1C(=O)OC[C@@H]1CCCCO1 ZINC000041046725 181766271 /nfs/dbraw/zinc/76/62/71/181766271.db2.gz OQCDLRNVPAPRIM-QMMMGPOBSA-N 0 0 241.312 2.056 10 0 BEAERN Nc1ccccc1[S@@](=O)CCc1cccnc1 ZINC000063224040 181758929 /nfs/dbraw/zinc/75/89/29/181758929.db2.gz VUTJEPCHTIECFU-QGZVFWFLSA-N 0 0 246.335 2.014 10 0 BEAERN Nc1ccnc(-c2ccc(F)cc2F)n1 ZINC000071510211 181762328 /nfs/dbraw/zinc/76/23/28/181762328.db2.gz FKGFPICDMFPZED-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN Nc1csc(-c2cnc(C3CCC3)nc2)n1 ZINC000072191723 181773123 /nfs/dbraw/zinc/77/31/23/181773123.db2.gz FXSNLIBPOAGOMF-UHFFFAOYSA-N 0 0 232.312 2.450 10 0 BEAERN C[C@@H]1C[C@@](O)(C(F)(F)Br)CS1 ZINC000225656186 371564522 /nfs/dbraw/zinc/56/45/22/371564522.db2.gz ZNGQCAIHXJSGOD-UHNVWZDZSA-N 0 0 247.104 2.231 10 0 BEAERN CC(C)(CO)Cc1ccc(Br)cn1 ZINC000161859324 371572606 /nfs/dbraw/zinc/57/26/06/371572606.db2.gz NEGZIJCRBNEDBY-UHFFFAOYSA-N 0 0 244.132 2.405 10 0 BEAERN CC(C)CCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000131271489 371580398 /nfs/dbraw/zinc/58/03/98/371580398.db2.gz SSMOOQNNGDWRNT-PHIMTYICSA-N 0 0 213.321 2.058 10 0 BEAERN C/C=C(/C)c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000350659231 371584818 /nfs/dbraw/zinc/58/48/18/371584818.db2.gz QHQHUIQALDEGHR-WBJUDYSNSA-N 0 0 249.314 2.029 10 0 BEAERN C/C=C(/C)c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000350659232 371586150 /nfs/dbraw/zinc/58/61/50/371586150.db2.gz QHQHUIQALDEGHR-ZHFHSAFGSA-N 0 0 249.314 2.029 10 0 BEAERN CC[C@]1(C(=O)[O-])CCC[N@@H+]1C1CCCC1 ZINC000215633131 371602534 /nfs/dbraw/zinc/60/25/34/371602534.db2.gz QKGRVAIYRPUCDY-GFCCVEGCSA-N 0 0 211.305 2.258 10 0 BEAERN Cc1cc(F)c(Br)c(CO)c1 ZINC000215654323 371608707 /nfs/dbraw/zinc/60/87/07/371608707.db2.gz UNQSXBRUPMTJIJ-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN CC[C@H](NC(=O)c1ccncc1)c1nccs1 ZINC000131477719 371610542 /nfs/dbraw/zinc/61/05/42/371610542.db2.gz FWRUMOPZBFOVKW-JTQLQIEISA-N 0 0 247.323 2.419 10 0 BEAERN C[C@H]1C[C@H](C(=O)Cc2cccs2)CO1 ZINC000162111974 371611665 /nfs/dbraw/zinc/61/16/65/371611665.db2.gz RGHHAEPRXMDEAR-IUCAKERBSA-N 0 0 210.298 2.285 10 0 BEAERN CC(=O)c1cc(F)ccc1N1CCCC1=O ZINC000215666564 371611920 /nfs/dbraw/zinc/61/19/20/371611920.db2.gz VDKHFQBBJBMFLR-UHFFFAOYSA-N 0 0 221.231 2.155 10 0 BEAERN CON[C@@H]1COc2c1c(Cl)ccc2C ZINC000131494704 371612042 /nfs/dbraw/zinc/61/20/42/371612042.db2.gz IEIVCERRSIKHIX-MRVPVSSYSA-N 0 0 213.664 2.233 10 0 BEAERN CON[C@@H]1CCOc2cc(Cl)ccc21 ZINC000131507404 371612543 /nfs/dbraw/zinc/61/25/43/371612543.db2.gz MJLCHVFWKWXVIG-SECBINFHSA-N 0 0 213.664 2.315 10 0 BEAERN Nc1n[nH]c(-c2ccccn2)c1-c1ccccn1 ZINC000077373844 181772808 /nfs/dbraw/zinc/77/28/08/181772808.db2.gz DJIXANSYSIFEFA-UHFFFAOYSA-N 0 0 237.266 2.116 10 0 BEAERN Cc1cc(CO)c(F)cc1Br ZINC000216015987 371680218 /nfs/dbraw/zinc/68/02/18/371680218.db2.gz DIXAGUQFYRVLRS-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN OCCNc1nc(Cl)c(Cl)cc1Cl ZINC000226489968 371676919 /nfs/dbraw/zinc/67/69/19/371676919.db2.gz VMHLHWAJCYXEDP-UHFFFAOYSA-N 0 0 241.505 2.446 10 0 BEAERN CC(=O)c1ccc(N2CCSC[C@@H]2C)o1 ZINC000131564981 371625815 /nfs/dbraw/zinc/62/58/15/371625815.db2.gz CVYFEPKZSNCMSX-QMMMGPOBSA-N 0 0 225.313 2.424 10 0 BEAERN Nc1nc(Cc2nc3c(cccc3F)[nH]2)cs1 ZINC000037442359 181782127 /nfs/dbraw/zinc/78/21/27/181782127.db2.gz QUGCBQZYZGMBLE-UHFFFAOYSA-N 0 0 248.286 2.332 10 0 BEAERN COc1cc(O)cc(C(F)(F)F)c1OC ZINC000215933801 371660734 /nfs/dbraw/zinc/66/07/34/371660734.db2.gz ORPDKQKSBAYATH-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1cc(O)c(C(F)(F)F)cc1OC ZINC000215934056 371661018 /nfs/dbraw/zinc/66/10/18/371661018.db2.gz YHPQOYMKUSWRRR-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN CNc1nc(OC)c(Cl)cc1Cl ZINC000226625504 371710156 /nfs/dbraw/zinc/71/01/56/371710156.db2.gz GYSQNOWBKLUJHJ-UHFFFAOYSA-N 0 0 207.060 2.439 10 0 BEAERN C[C@H](O)c1cnc(N2CC[C@@H](C)C2)s1 ZINC000226649096 371715141 /nfs/dbraw/zinc/71/51/41/371715141.db2.gz GYCJRUKIEMXPHN-SFYZADRCSA-N 0 0 212.318 2.043 10 0 BEAERN Cc1ccc(C(=O)CS[C@H](C)CO)cc1 ZINC000162660536 371741953 /nfs/dbraw/zinc/74/19/53/371741953.db2.gz YCSMQCABRVJAOL-SNVBAGLBSA-N 0 0 224.325 2.292 10 0 BEAERN Nc1nc2cccnc2n1-c1ccccc1 ZINC000075947494 181794373 /nfs/dbraw/zinc/79/43/73/181794373.db2.gz VPPKGQZLXHWJEO-UHFFFAOYSA-N 0 0 210.240 2.003 10 0 BEAERN CCc1onc(C)c1C(=O)N[C@H](C)CSC ZINC000132025239 371743074 /nfs/dbraw/zinc/74/30/74/371743074.db2.gz SPNZBDYNWCZACG-SSDOTTSWSA-N 0 0 242.344 2.027 10 0 BEAERN C[C@H](CO)SCC(=O)c1ccccc1F ZINC000162669417 371743162 /nfs/dbraw/zinc/74/31/62/371743162.db2.gz YCJXVENXLPKRMH-MRVPVSSYSA-N 0 0 228.288 2.122 10 0 BEAERN Cc1cccc(C(=O)CS[C@@H](C)CO)c1 ZINC000162666271 371743232 /nfs/dbraw/zinc/74/32/32/371743232.db2.gz VFAGFJAKWVOHMP-JTQLQIEISA-N 0 0 224.325 2.292 10 0 BEAERN C[C@H](CO)SCC(=O)c1cccc(F)c1 ZINC000162672307 371744376 /nfs/dbraw/zinc/74/43/76/371744376.db2.gz RJLYFCNDJAXJKJ-MRVPVSSYSA-N 0 0 228.288 2.122 10 0 BEAERN ON[C@H]1CCOc2ccc(Br)cc21 ZINC000132041052 371745641 /nfs/dbraw/zinc/74/56/41/371745641.db2.gz HOEWPXZYYZECFV-QMMMGPOBSA-N 0 0 244.088 2.252 10 0 BEAERN OCc1ccc(N[C@H]2CCSC2)cc1 ZINC000132309861 371792478 /nfs/dbraw/zinc/79/24/78/371792478.db2.gz QGETZQAMTTUDLZ-NSHDSACASA-N 0 0 209.314 2.096 10 0 BEAERN Nc1nccn2c(-c3cccs3)cnc12 ZINC000090602373 181803311 /nfs/dbraw/zinc/80/33/11/181803311.db2.gz RDDMYEWARDMSDA-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN COc1ccc2c(n1)SC(C)(C)CN2 ZINC000162730601 371832268 /nfs/dbraw/zinc/83/22/68/371832268.db2.gz QTSQDXBJYNHHOP-UHFFFAOYSA-N 0 0 210.302 2.386 10 0 BEAERN Cc1cnc2c(c1)NC(=O)C[C@H](C)S2 ZINC000162702789 371824751 /nfs/dbraw/zinc/82/47/51/371824751.db2.gz WNUUWPQOCZXTME-ZETCQYMHSA-N 0 0 208.286 2.213 10 0 BEAERN COC(=O)c1ccc2cccc(C)c2n1 ZINC000230093748 371846054 /nfs/dbraw/zinc/84/60/54/371846054.db2.gz NKCHNLDFAOOWMR-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN C[C@@H]1C[C@H](c2nc(Br)ns2)CO1 ZINC000230109593 371850778 /nfs/dbraw/zinc/85/07/78/371850778.db2.gz YEXWSCFYIIKYDR-UHNVWZDZSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@H]1C[C@H](c2nc(Br)ns2)CO1 ZINC000230109598 371851099 /nfs/dbraw/zinc/85/10/99/371851099.db2.gz YEXWSCFYIIKYDR-WHFBIAKZSA-N 0 0 249.133 2.193 10 0 BEAERN Nc1cccc(Br)c1-n1ccnc1 ZINC000217066185 371879193 /nfs/dbraw/zinc/87/91/93/371879193.db2.gz PXNNVUIJKUUUED-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN COc1c(Br)cc(F)cc1CO ZINC000216889771 371836948 /nfs/dbraw/zinc/83/69/48/371836948.db2.gz GTKSVYSVSPDKCJ-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN CCCNc1ccc(C(F)(F)F)nn1 ZINC000132494241 371840746 /nfs/dbraw/zinc/84/07/46/371840746.db2.gz WXJPZDLKESXNER-UHFFFAOYSA-N 0 0 205.183 2.317 10 0 BEAERN Cc1sccc1C(=O)c1nccn1C ZINC000227775000 371935665 /nfs/dbraw/zinc/93/56/65/371935665.db2.gz IBKWUOYNHGFMCG-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN C[C@](O)(CO)c1cc(F)c(Cl)cc1Cl ZINC000132868317 371939872 /nfs/dbraw/zinc/93/98/72/371939872.db2.gz DMBJRJAMCVHFSD-VIFPVBQESA-N 0 0 239.073 2.332 10 0 BEAERN COc1cc(-n2cnnc2Cl)ccc1F ZINC000162946618 371892444 /nfs/dbraw/zinc/89/24/44/371892444.db2.gz VWYSGZXWWCBXGF-UHFFFAOYSA-N 0 0 227.626 2.068 10 0 BEAERN Fc1cc(NCc2ccncc2)ccn1 ZINC000227640099 371911232 /nfs/dbraw/zinc/91/12/32/371911232.db2.gz IXSQACPDFXUQBG-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN Fc1cc(NC[C@@H]2CCCCO2)ccn1 ZINC000227642663 371912953 /nfs/dbraw/zinc/91/29/53/371912953.db2.gz KPVZZXASQRJXGY-JTQLQIEISA-N 0 0 210.252 2.202 10 0 BEAERN CO[C@@H]1C(=O)C[C@@H]1OC1CCCCCC1 ZINC000132773369 371919696 /nfs/dbraw/zinc/91/96/96/371919696.db2.gz VBFRRYKHEGFCDD-NWDGAFQWSA-N 0 0 212.289 2.082 10 0 BEAERN CN(C)c1cccc(NCC(F)F)c1 ZINC000227985784 371968276 /nfs/dbraw/zinc/96/82/76/371968276.db2.gz XRDFCEFDNSDXIN-UHFFFAOYSA-N 0 0 200.232 2.430 10 0 BEAERN O=C(NCC1(CCO)CC1)OCc1ccccc1 ZINC000133037905 371976297 /nfs/dbraw/zinc/97/62/97/371976297.db2.gz ZSQLPBQNFGCIED-UHFFFAOYSA-N 0 0 249.310 2.075 10 0 BEAERN CCCc1cn2cc(Br)cnc2n1 ZINC000228021981 371977375 /nfs/dbraw/zinc/97/73/75/371977375.db2.gz AEOIHAHLRKIGLS-UHFFFAOYSA-N 0 0 240.104 2.444 10 0 BEAERN Brc1cncnc1NC1CC=CC1 ZINC000133066849 371981843 /nfs/dbraw/zinc/98/18/43/371981843.db2.gz CAAHSDOFABNBHD-UHFFFAOYSA-N 0 0 240.104 2.370 10 0 BEAERN CC(C)C(=O)[C@H]1SCCS[C@H]1C ZINC000228077564 371985888 /nfs/dbraw/zinc/98/58/88/371985888.db2.gz FAKZUCHRMPFEAE-CBAPKCEASA-N 0 0 204.360 2.449 10 0 BEAERN C[C@H]1SCCS[C@H]1c1nsc(N)n1 ZINC000228072122 371986241 /nfs/dbraw/zinc/98/62/41/371986241.db2.gz QWDBAKUXCXMQEK-RFZPGFLSSA-N 0 0 233.387 2.030 10 0 BEAERN CN1C(=S)N=NC1C1C(C)(C)C1(C)C ZINC000228195404 372002812 /nfs/dbraw/zinc/00/28/12/372002812.db2.gz URIMHDQJHGHFOW-UHFFFAOYSA-N 0 0 211.334 2.253 10 0 BEAERN C[C@H]1CCN(c2cc(F)ncn2)[C@@H](C)C1 ZINC000228115145 371993161 /nfs/dbraw/zinc/99/31/61/371993161.db2.gz UEQSMSFAGANJPW-IUCAKERBSA-N 0 0 209.268 2.241 10 0 BEAERN CCN1C(=S)N=NC1Cc1ccsc1 ZINC000228199878 372003132 /nfs/dbraw/zinc/00/31/32/372003132.db2.gz QXASPTVWIVPQSC-UHFFFAOYSA-N 0 0 225.342 2.239 10 0 BEAERN CC[C@@](N)(c1ccc(F)cn1)C(F)F ZINC000163222725 371954876 /nfs/dbraw/zinc/95/48/76/371954876.db2.gz BLNIVSUAYSRRCV-SECBINFHSA-N 0 0 204.195 2.050 10 0 BEAERN C[C@@H]1CN(c2csc(C=O)c2)C[C@H](C)O1 ZINC000133284378 372016911 /nfs/dbraw/zinc/01/69/11/372016911.db2.gz DIODTZJRQATIRN-DTORHVGOSA-N 0 0 225.313 2.174 10 0 BEAERN CO[C@H]1CCC[C@H]1Oc1ccc(F)nc1 ZINC000306426161 372018756 /nfs/dbraw/zinc/01/87/56/372018756.db2.gz KDGAMBNFVGQBJB-VHSXEESVSA-N 0 0 211.236 2.167 10 0 BEAERN Clc1nsnc1N[C@H]1CCSC1 ZINC000231376669 372020763 /nfs/dbraw/zinc/02/07/63/372020763.db2.gz GTUWFWPTHUWGQK-BYPYZUCNSA-N 0 0 221.738 2.109 10 0 BEAERN CCc1c[nH]c(=S)n1[C@@H]1CCSC1 ZINC000231375115 372022564 /nfs/dbraw/zinc/02/25/64/372022564.db2.gz KXIGOHXFUIHTNH-MRVPVSSYSA-N 0 0 214.359 2.412 10 0 BEAERN CC(C)Cc1nn(C)c(=O)c2ccsc21 ZINC000163697065 372032501 /nfs/dbraw/zinc/03/25/01/372032501.db2.gz RBGCPZFQEXETTP-UHFFFAOYSA-N 0 0 222.313 2.194 10 0 BEAERN CC(=O)c1nc(Cc2ccncc2)cs1 ZINC000306583897 372040421 /nfs/dbraw/zinc/04/04/21/372040421.db2.gz RHBFTWBMJUOBTL-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN Cc1ccc([C@H](C)N2CCOCC2)s1 ZINC000306648225 372050023 /nfs/dbraw/zinc/05/00/23/372050023.db2.gz FVFKRDQOABLDEA-JTQLQIEISA-N 0 0 211.330 2.450 10 0 BEAERN S=C1N=NC(c2cncc(Cl)c2)O1 ZINC000306339096 372012742 /nfs/dbraw/zinc/01/27/42/372012742.db2.gz XAXSDXUOEONYTP-UHFFFAOYSA-N 0 0 213.649 2.074 10 0 BEAERN C[C@@H](Nc1ccc(Cl)nn1)C(F)F ZINC000306742895 372064406 /nfs/dbraw/zinc/06/44/06/372064406.db2.gz GMEZTOSHIXLRIF-SCSAIBSYSA-N 0 0 207.611 2.196 10 0 BEAERN CC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000058603511 372070038 /nfs/dbraw/zinc/07/00/38/372070038.db2.gz KEFISZDIPXYONR-HTQZYQBOSA-N 0 0 209.211 2.244 10 0 BEAERN C[C@@H](NC1=NC[C@@H](C)S1)C(C)(F)F ZINC000306836998 372072115 /nfs/dbraw/zinc/07/21/15/372072115.db2.gz VGGVZYDIRLEGIF-PHDIDXHHSA-N 0 0 208.277 2.111 10 0 BEAERN CC[S@](=O)Nc1ccc(N)c(Cl)c1 ZINC000307105780 372086400 /nfs/dbraw/zinc/08/64/00/372086400.db2.gz DJCBQGXGUAEALU-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN O=C(C1=CCCCC1)N1C[C@H]2CCC[C@H]21 ZINC000334156780 181857942 /nfs/dbraw/zinc/85/79/42/181857942.db2.gz ZMKHZSAEWZQUOK-VXGBXAGGSA-N 0 0 205.301 2.498 10 0 BEAERN CCCn1c(=O)ccc2cc(C(=O)OC)ccc21 ZINC000606303919 372093224 /nfs/dbraw/zinc/09/32/24/372093224.db2.gz YPBMGURDZVLYAS-UHFFFAOYSA-N 0 0 245.278 2.198 10 0 BEAERN OCc1ccc(Cl)c(C(F)(F)F)n1 ZINC000307183172 372094209 /nfs/dbraw/zinc/09/42/09/372094209.db2.gz XCMXONFLOSGQLJ-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN C[C@H]1Cc2[nH]c(=S)sc2[C@H](C)O1 ZINC000133719612 372094442 /nfs/dbraw/zinc/09/44/42/372094442.db2.gz GCHXFGVZWXZIOO-WHFBIAKZSA-N 0 0 201.316 2.454 10 0 BEAERN C[C@H](c1cscn1)n1ncc(Cl)c1N ZINC000229138022 372122591 /nfs/dbraw/zinc/12/25/91/372122591.db2.gz PMJSARHRYVAVJT-RXMQYKEDSA-N 0 0 228.708 2.185 10 0 BEAERN Cc1cnc(Cl)cc1Sc1nncn1C ZINC000133744664 372100693 /nfs/dbraw/zinc/10/06/93/372100693.db2.gz YQFGVSFWGLLZGQ-UHFFFAOYSA-N 0 0 240.719 2.323 10 0 BEAERN C/C(=C/c1cc(F)c(F)cc1F)CO ZINC000232466211 372134167 /nfs/dbraw/zinc/13/41/67/372134167.db2.gz VGTKGQBVTSUBNR-KXFIGUGUSA-N 0 0 202.175 2.500 10 0 BEAERN C[C@@H]1CC[C@H]1n1ncc(Br)c1N ZINC000307691948 372138911 /nfs/dbraw/zinc/13/89/11/372138911.db2.gz QQCJQJQEENSKRR-IYSWYEEDSA-N 0 0 230.109 2.199 10 0 BEAERN C[C@H]1CC[C@H]1n1ncc(Br)c1N ZINC000307691946 372139653 /nfs/dbraw/zinc/13/96/53/372139653.db2.gz QQCJQJQEENSKRR-CAHLUQPWSA-N 0 0 230.109 2.199 10 0 BEAERN FC1(F)CCC[C@@H]1Nc1ncns1 ZINC000307691579 372139714 /nfs/dbraw/zinc/13/97/14/372139714.db2.gz PFTTWUDGSHKFDY-YFKPBYRVSA-N 0 0 205.233 2.138 10 0 BEAERN O=C1NCCCC[C@@H]1CCC(F)(F)F ZINC000133967571 372141591 /nfs/dbraw/zinc/14/15/91/372141591.db2.gz DZOZYZXKXSQIOQ-SSDOTTSWSA-N 0 0 209.211 2.245 10 0 BEAERN C[C@@H](NN(C)C)c1c(F)cccc1F ZINC000134047418 372151148 /nfs/dbraw/zinc/15/11/48/372151148.db2.gz QSMHOSXDPAVFAK-SSDOTTSWSA-N 0 0 200.232 2.092 10 0 BEAERN C[C@@]1(Nc2cccc(Cl)n2)CCOC1 ZINC000229486527 372156807 /nfs/dbraw/zinc/15/68/07/372156807.db2.gz RVGPNHYJBPBTRH-SNVBAGLBSA-N 0 0 212.680 2.326 10 0 BEAERN CC(C)[C@H](O)[C@@H](O)c1ccc(Cl)cc1 ZINC000232748295 372157795 /nfs/dbraw/zinc/15/77/95/372157795.db2.gz XISOASBFYUVDJN-QWRGUYRKSA-N 0 0 214.692 2.390 10 0 BEAERN Cc1ccc(F)cc1C(=O)[C@@H](O)C(C)C ZINC000232756981 372158120 /nfs/dbraw/zinc/15/81/20/372158120.db2.gz KYSJSFVPWSIFRR-NSHDSACASA-N 0 0 210.248 2.334 10 0 BEAERN C[C@@H]1CN(C/C(Cl)=C\Cl)CCC1=O ZINC000229505925 372159111 /nfs/dbraw/zinc/15/91/11/372159111.db2.gz MHTHEURFTHAQKM-VKDKVYATSA-N 0 0 222.115 2.216 10 0 BEAERN CS[C@H]1CCCC[C@H]1NC(=O)C(F)(F)F ZINC000218854875 372159861 /nfs/dbraw/zinc/15/98/61/372159861.db2.gz ASCLIFWFOFJEAV-RQJHMYQMSA-N 0 0 241.278 2.339 10 0 BEAERN CN(C)NCc1c(F)cccc1Cl ZINC000134112557 372161867 /nfs/dbraw/zinc/16/18/67/372161867.db2.gz ZUSMTMZYVDDDDW-UHFFFAOYSA-N 0 0 202.660 2.045 10 0 BEAERN CCC(C)(C)Oc1ncnc(N)c1Cl ZINC000232874602 372171859 /nfs/dbraw/zinc/17/18/59/372171859.db2.gz UYZJFKMAVXVBCK-UHFFFAOYSA-N 0 0 215.684 2.280 10 0 BEAERN COc1cc(Br)cc(NO)c1 ZINC000218504436 372123528 /nfs/dbraw/zinc/12/35/28/372123528.db2.gz OGDAUZQVCBARBN-UHFFFAOYSA-N 0 0 218.050 2.259 10 0 BEAERN NN[C@H](c1ccsc1)[C@H]1CCCS1 ZINC000229663728 372179663 /nfs/dbraw/zinc/17/96/63/372179663.db2.gz UYWROQAWGDUTIJ-RKDXNWHRSA-N 0 0 214.359 2.148 10 0 BEAERN FC(F)(F)C1(Nc2nncs2)CC1 ZINC000229739457 372187702 /nfs/dbraw/zinc/18/77/02/372187702.db2.gz JOGMLCFREPCTOP-UHFFFAOYSA-N 0 0 209.196 2.045 10 0 BEAERN Nc1cnc(NC2(C(F)(F)F)CC2)s1 ZINC000229778622 372193216 /nfs/dbraw/zinc/19/32/16/372193216.db2.gz CPRBNHZKCXQGLT-UHFFFAOYSA-N 0 0 223.223 2.232 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cccnc1Cl ZINC000134383749 372201260 /nfs/dbraw/zinc/20/12/60/372201260.db2.gz DYKKOWXWANAFQW-YUMQZZPRSA-N 0 0 212.680 2.324 10 0 BEAERN Clc1cc2nccnc2nc1Cl ZINC000059618825 372201330 /nfs/dbraw/zinc/20/13/30/372201330.db2.gz CVYRPVKSJOBEOY-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN Cc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000171071488 372290388 /nfs/dbraw/zinc/29/03/88/372290388.db2.gz OFEGVKHGLSBUMF-LOWVWBTDSA-N 0 0 233.311 2.287 10 0 BEAERN O=C(CC1CCCCC1)NC1CCC(O)CC1 ZINC000035101272 181895163 /nfs/dbraw/zinc/89/51/63/181895163.db2.gz MMMNGUIIXFHIHS-UHFFFAOYSA-N 0 0 239.359 2.377 10 0 BEAERN C[C@@H](O)c1cc(F)ccc1N1CCCC1=O ZINC000139998860 372338935 /nfs/dbraw/zinc/33/89/35/372338935.db2.gz GUWNJZLHZQVLRG-MRVPVSSYSA-N 0 0 223.247 2.006 10 0 BEAERN CC(C)c1nsc(N2CC[C@@H](O)C[C@H]2C)n1 ZINC000631434757 372363472 /nfs/dbraw/zinc/36/34/72/372363472.db2.gz WMKKBOVNEZETKJ-RKDXNWHRSA-N 0 0 241.360 2.011 10 0 BEAERN CCC(C)(C)C(=O)N1CCS[C@@H](C)C1 ZINC000171567875 372695077 /nfs/dbraw/zinc/69/50/77/372695077.db2.gz LYGIQFHABOTAGX-VIFPVBQESA-N 0 0 215.362 2.387 10 0 BEAERN COC[C@H](C)c1nc(C2CCCC2)no1 ZINC000171793795 372771731 /nfs/dbraw/zinc/77/17/31/372771731.db2.gz QXWAUPQOLPHTOA-QMMMGPOBSA-N 0 0 210.277 2.477 10 0 BEAERN CCOC(=O)/C=C/c1cc(F)ccc1OC ZINC000038997748 372840430 /nfs/dbraw/zinc/84/04/30/372840430.db2.gz IRDMDOBNRAOICM-QPJJXVBHSA-N 0 0 224.231 2.411 10 0 BEAERN O=C(COc1ccc(CO)cc1)c1ccccc1 ZINC000040411150 182000088 /nfs/dbraw/zinc/00/00/88/182000088.db2.gz UDDCFPFBKNFSBT-UHFFFAOYSA-N 0 0 242.274 2.441 10 0 BEAERN O=C(COc1ccc(O)cc1)NC1CCCCC1 ZINC000037324205 182002075 /nfs/dbraw/zinc/00/20/75/182002075.db2.gz ZNVVSZJTNGGAMJ-UHFFFAOYSA-N 0 0 249.310 2.220 10 0 BEAERN CC(C)Cn1c(Cl)c(C=O)sc1=O ZINC000039288523 372932540 /nfs/dbraw/zinc/93/25/40/372932540.db2.gz FEIXMUOZUXCLDC-UHFFFAOYSA-N 0 0 219.693 2.032 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCSC[C@H]1C ZINC000172343246 372950449 /nfs/dbraw/zinc/95/04/49/372950449.db2.gz QMIYAZYLCKQQRP-ZJUUUORDSA-N 0 0 230.377 2.178 10 0 BEAERN C[N@@H+]1CCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000141664397 373007357 /nfs/dbraw/zinc/00/73/57/373007357.db2.gz WSDIEEXAUCMABH-NSHDSACASA-N 0 0 205.257 2.152 10 0 BEAERN O=C(Cc1ncc[nH]1)c1cc(F)c(F)c(F)c1 ZINC000063005168 182061996 /nfs/dbraw/zinc/06/19/96/182061996.db2.gz OCGOHHUYQVGIOC-UHFFFAOYSA-N 0 0 240.184 2.252 10 0 BEAERN CSCCNc1cc(N)cc(F)c1 ZINC000068996058 373103999 /nfs/dbraw/zinc/10/39/99/373103999.db2.gz BEHKTXQVULWMEA-UHFFFAOYSA-N 0 0 200.282 2.183 10 0 BEAERN CCC(C)(C)N(C)c1n[nH]c(=S)n1C ZINC000069000545 373104047 /nfs/dbraw/zinc/10/40/47/373104047.db2.gz XOMJVAIPHOXBPU-UHFFFAOYSA-N 0 0 214.338 2.102 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000069028577 373107661 /nfs/dbraw/zinc/10/76/61/373107661.db2.gz QNIXSLNQQDQILC-VHSXEESVSA-N 0 0 206.289 2.429 10 0 BEAERN O=C(Cn1ccnc1)c1ccc2c(c1)CCC2 ZINC000037340531 182071866 /nfs/dbraw/zinc/07/18/66/182071866.db2.gz CBRAOPGHWYRTAI-UHFFFAOYSA-N 0 0 226.279 2.255 10 0 BEAERN O=C(N1CCCC12CCCC2)C(F)(F)F ZINC000306365104 182080058 /nfs/dbraw/zinc/08/00/58/182080058.db2.gz DEKTWGCSKLXPSX-UHFFFAOYSA-N 0 0 221.222 2.484 10 0 BEAERN O=C(Nc1ncc[nH]1)c1ccc2ccccc2c1 ZINC000070155461 182084403 /nfs/dbraw/zinc/08/44/03/182084403.db2.gz OXZFPOHMSHMUSD-UHFFFAOYSA-N 0 0 237.262 2.237 10 0 BEAERN OC1CCN(c2nccc3sccc32)CC1 ZINC000040438726 373264448 /nfs/dbraw/zinc/26/44/48/373264448.db2.gz YCTBHRVFVUCZGY-UHFFFAOYSA-N 0 0 234.324 2.257 10 0 BEAERN O=C(NC1CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000005684900 182098841 /nfs/dbraw/zinc/09/88/41/182098841.db2.gz ZQIBNNWNKQLLNN-NEPJUHHUSA-N 0 0 201.269 2.069 10 0 BEAERN O=C(NC1CCCCC1)C(=O)c1ccc(F)cc1 ZINC000049836814 182111207 /nfs/dbraw/zinc/11/12/07/182111207.db2.gz MLCIMANWCGKVRU-UHFFFAOYSA-N 0 0 249.285 2.457 10 0 BEAERN O=C(NC1CCCC1)[C@H]1CCc2ccccc2N1 ZINC000019481754 182109797 /nfs/dbraw/zinc/10/97/97/182109797.db2.gz FLZUZUJBPPARPF-CQSZACIVSA-N 0 0 244.338 2.472 10 0 BEAERN O=C(NC1CCCC1)[C@@H]1CCc2ccccc2N1 ZINC000019481752 182110570 /nfs/dbraw/zinc/11/05/70/182110570.db2.gz FLZUZUJBPPARPF-AWEZNQCLSA-N 0 0 244.338 2.472 10 0 BEAERN O=C(NC1CCCC1)c1ccc2c[nH]nc2c1 ZINC000021540984 182110898 /nfs/dbraw/zinc/11/08/98/182110898.db2.gz YZUGDSCLGGXLMB-UHFFFAOYSA-N 0 0 229.283 2.235 10 0 BEAERN O=C(NCC(F)(F)F)N1C[C@H]2CCCC[C@H]21 ZINC000368089315 182123154 /nfs/dbraw/zinc/12/31/54/182123154.db2.gz LCAQUZZMXCTCNW-HTQZYQBOSA-N 0 0 236.237 2.133 10 0 BEAERN O=C(NCC1CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182279754 182137451 /nfs/dbraw/zinc/13/74/51/182137451.db2.gz NOAVQKQTSRWQAH-GFCCVEGCSA-N 0 0 248.330 2.056 10 0 BEAERN COC(=O)Cc1ccc(F)c(OC(F)F)c1 ZINC000380872795 373585327 /nfs/dbraw/zinc/58/53/27/373585327.db2.gz FWKRVXIMRZZFAY-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN O=Cc1cc(Cl)ccc1O[C@@H]1CCOC1 ZINC000069622940 373545989 /nfs/dbraw/zinc/54/59/89/373545989.db2.gz MJPGPWNMSCECLJ-SNVBAGLBSA-N 0 0 226.659 2.320 10 0 BEAERN O=C(NCCC1=CCCC1)NCC(F)F ZINC000121837044 182150988 /nfs/dbraw/zinc/15/09/88/182150988.db2.gz CRIBBKFHBRBQMV-UHFFFAOYSA-N 0 0 218.247 2.051 10 0 BEAERN O=C(NCCC1=CCCC1)c1cc[nH]c1 ZINC000130966350 182151716 /nfs/dbraw/zinc/15/17/16/182151716.db2.gz FWHLWROJESUVMI-UHFFFAOYSA-N 0 0 204.273 2.245 10 0 BEAERN O=C(NCCC1=CCCC1)NCc1ccncc1 ZINC000126288591 182152212 /nfs/dbraw/zinc/15/22/12/182152212.db2.gz AAPSPYFNQSNWBE-UHFFFAOYSA-N 0 0 245.326 2.381 10 0 BEAERN Nc1nn(CCc2ccsc2)cc1Cl ZINC000069790617 373769662 /nfs/dbraw/zinc/76/96/62/373769662.db2.gz XTMRRFJRYAVJQD-UHFFFAOYSA-N 0 0 227.720 2.423 10 0 BEAERN C[C@@H](C(=O)N1CC[C@@H](O)C[C@H]1C)c1ccccc1 ZINC000633871207 373829811 /nfs/dbraw/zinc/82/98/11/373829811.db2.gz ZLPUAVMRHMSEOW-YRGRVCCFSA-N 0 0 247.338 2.162 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633871508 373831296 /nfs/dbraw/zinc/83/12/96/373831296.db2.gz MGWIAQSGCNMIMI-FDYHWXHSSA-N 0 0 239.359 2.040 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CCCC[C@@H]1C ZINC000633871566 373831362 /nfs/dbraw/zinc/83/13/62/373831362.db2.gz NRWXTTZEUBETAD-LOWDOPEQSA-N 0 0 239.359 2.185 10 0 BEAERN CC(C)[C@H]1C[C@@](O)(C(F)(F)F)CCO1 ZINC000069898499 373973716 /nfs/dbraw/zinc/97/37/16/373973716.db2.gz CFFVDPNLNMFGQO-HTQZYQBOSA-N 0 0 212.211 2.115 10 0 BEAERN C[C@H]1CC(=O)c2cccc(Cl)c2[S@]1=O ZINC000040972983 373973759 /nfs/dbraw/zinc/97/37/59/373973759.db2.gz FHCUUWHNILBCDD-DXRPGJJCSA-N 0 0 228.700 2.423 10 0 BEAERN CCCCNC(=O)Nc1ccccc1N ZINC000020256254 168854029 /nfs/dbraw/zinc/85/40/29/168854029.db2.gz AOWQAJSWYAERQQ-UHFFFAOYSA-N 0 0 207.277 2.190 10 0 BEAERN O=C(NC[C@@H](O)c1cccs1)c1ccccc1 ZINC000049835346 182221178 /nfs/dbraw/zinc/22/11/78/182221178.db2.gz SUVRZAXMIDZOKT-LLVKDONJSA-N 0 0 247.319 2.212 10 0 BEAERN O=C1N=NC(c2cc(Cl)ccc2F)O1 ZINC000070030516 374110204 /nfs/dbraw/zinc/11/02/04/374110204.db2.gz BWYUWVOHIGYCHC-UHFFFAOYSA-N 0 0 214.583 2.235 10 0 BEAERN CC(=O)[C@H](C)n1cc(C(F)(F)F)cn1 ZINC000070019112 374111313 /nfs/dbraw/zinc/11/13/13/374111313.db2.gz JAZZVVHJHWFGFI-YFKPBYRVSA-N 0 0 206.167 2.052 10 0 BEAERN CSCCc1nc2ccc(N)cc2o1 ZINC000069983389 374104130 /nfs/dbraw/zinc/10/41/30/374104130.db2.gz MSRICLDFZHQKFP-UHFFFAOYSA-N 0 0 208.286 2.316 10 0 BEAERN C[C@@H](NC1=N[C@@H](C)CS1)c1nccs1 ZINC000070734428 374181289 /nfs/dbraw/zinc/18/12/89/374181289.db2.gz QLKDZTVYOWHRIN-NKWVEPMBSA-N 0 0 227.358 2.285 10 0 BEAERN CCc1cc(Cl)nc(-c2ccncn2)n1 ZINC000070533957 374146256 /nfs/dbraw/zinc/14/62/56/374146256.db2.gz BINVTGPONCBDCN-UHFFFAOYSA-N 0 0 220.663 2.149 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000246092175 374148935 /nfs/dbraw/zinc/14/89/35/374148935.db2.gz HUODSLZBIXYOIN-YJRXYDGGSA-N 0 0 248.301 2.389 10 0 BEAERN CC1(C)CCC([NH2+]C2CC2)(C(=O)[O-])CC1 ZINC000070654459 374170973 /nfs/dbraw/zinc/17/09/73/374170973.db2.gz BEWYYMTVUFBLDN-UHFFFAOYSA-N 0 0 211.305 2.162 10 0 BEAERN Nc1ccc(F)cc1C(=O)c1ccco1 ZINC000070671634 374171772 /nfs/dbraw/zinc/17/17/72/374171772.db2.gz FOWZLMYLWOHPOU-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN Nc1cccc(Cl)c1C(=O)c1cc[nH]c1 ZINC000070671561 374172688 /nfs/dbraw/zinc/17/26/88/374172688.db2.gz RIBSVHAVWCRLCO-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN Nc1cc(Cl)ccc1C(=O)c1cc[nH]c1 ZINC000070671571 374173311 /nfs/dbraw/zinc/17/33/11/374173311.db2.gz XSOKIMGLGPNBGG-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN Cc1c(Cl)cnn1Cc1nnsc1Cl ZINC000070689269 374176994 /nfs/dbraw/zinc/17/69/94/374176994.db2.gz HVMYYQXAQRYBIO-UHFFFAOYSA-N 0 0 249.126 2.398 10 0 BEAERN Cc1ccn(Cc2ccnc(Cl)c2)n1 ZINC000070685264 374177028 /nfs/dbraw/zinc/17/70/28/374177028.db2.gz XQGSPUMOXGJLMP-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN Nc1nsc(-c2cccc(F)c2F)n1 ZINC000070839041 374198662 /nfs/dbraw/zinc/19/86/62/374198662.db2.gz UFMCDSQOGTZVBJ-UHFFFAOYSA-N 0 0 213.212 2.066 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000246225239 374212419 /nfs/dbraw/zinc/21/24/19/374212419.db2.gz RDOYTDCIQZVNLU-RCWTZXSCSA-N 0 0 210.321 2.273 10 0 BEAERN CC[C@@H](c1nccs1)N1CN=NC1=S ZINC000070734297 374186104 /nfs/dbraw/zinc/18/61/04/374186104.db2.gz AASZAVGCRVUBMC-LURJTMIESA-N 0 0 226.330 2.023 10 0 BEAERN C[C@@H]1CC[C@]([NH2+]C2CCCC2)(C(=O)[O-])C1 ZINC000070764030 374187827 /nfs/dbraw/zinc/18/78/27/374187827.db2.gz KSGWCJKVTXPJLE-BXKDBHETSA-N 0 0 211.305 2.162 10 0 BEAERN Cn1cc(Sc2cc(Cl)ncn2)cn1 ZINC000042406347 374268000 /nfs/dbraw/zinc/26/80/00/374268000.db2.gz LCGDNHYPSZLHTN-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN CC(=O)[C@@H](C)c1nc(-c2ccsc2)no1 ZINC000070996991 374238834 /nfs/dbraw/zinc/23/88/34/374238834.db2.gz BRVCBAJSVKNUEO-ZCFIWIBFSA-N 0 0 222.269 2.491 10 0 BEAERN Clc1nsnc1NC[C@H]1CCCCO1 ZINC000042826709 374291721 /nfs/dbraw/zinc/29/17/21/374291721.db2.gz RIWGAFDXQOZDSX-ZCFIWIBFSA-N 0 0 233.724 2.173 10 0 BEAERN O=C(N[C@@H]1CCC12CCCC2)[C@@H]1CCCCO1 ZINC000336515949 182292848 /nfs/dbraw/zinc/29/28/48/182292848.db2.gz MPWDONAVLYGTBM-NWDGAFQWSA-N 0 0 237.343 2.395 10 0 BEAERN O=C(N[C@@H]1CCCC[C@H]1CO)[C@H]1CC=CCC1 ZINC000151020817 182294082 /nfs/dbraw/zinc/29/40/82/182294082.db2.gz NLXXWXDSJJLEGU-RWMBFGLXSA-N 0 0 237.343 2.010 10 0 BEAERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)C(F)(F)F ZINC000032137334 182315452 /nfs/dbraw/zinc/31/54/52/182315452.db2.gz ONHHCCWIZDGBTO-RKDXNWHRSA-N 0 0 229.201 2.221 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@H]1CCCO)C1CCC1 ZINC000457671422 206121399 /nfs/dbraw/zinc/12/13/99/206121399.db2.gz ODLIKAHOMUVMHD-YPMHNXCESA-N 0 0 239.359 2.186 10 0 BEAERN O=C(Nc1ccc2c(c1)CCN2)c1ccc[nH]1 ZINC000063187936 182364176 /nfs/dbraw/zinc/36/41/76/182364176.db2.gz BAZTXPKKQJKKLE-UHFFFAOYSA-N 0 0 227.267 2.235 10 0 BEAERN O=C(Nc1ccccc1)N1CCCC[C@@H](CO)C1 ZINC000363357235 182376109 /nfs/dbraw/zinc/37/61/09/182376109.db2.gz XHEFZDQCQQKONT-GFCCVEGCSA-N 0 0 248.326 2.313 10 0 BEAERN O=C(Nc1cccc2c1NCC2)c1ccccn1 ZINC000089210407 182373611 /nfs/dbraw/zinc/37/36/11/182373611.db2.gz IRVHYHSFWUFYFZ-UHFFFAOYSA-N 0 0 239.278 2.302 10 0 BEAERN O=C(Nc1cccnc1)c1ccc2c(c1)CCN2 ZINC000036895683 182384332 /nfs/dbraw/zinc/38/43/32/182384332.db2.gz NYDCDCNRJBUMGQ-UHFFFAOYSA-N 0 0 239.278 2.302 10 0 BEAERN O=C(Nc1ccnc2n[nH]cc21)c1cccs1 ZINC000033966878 182385467 /nfs/dbraw/zinc/38/54/67/182385467.db2.gz KASWBMHTSDIPQL-UHFFFAOYSA-N 0 0 244.279 2.272 10 0 BEAERN O=C(Nc1ccncc1)c1cnccc1Cl ZINC000084597114 182387656 /nfs/dbraw/zinc/38/76/56/182387656.db2.gz HJZNGTNPBGQDFO-UHFFFAOYSA-N 0 0 233.658 2.382 10 0 BEAERN O=C([O-])/C=C\c1ccc(C[NH+]2CCCC2)cc1 ZINC000103378147 182414730 /nfs/dbraw/zinc/41/47/30/182414730.db2.gz YNXBEIBOSJYDRS-FPLPWBNLSA-N 0 0 231.295 2.380 10 0 BEAERN O=C([O-])CCCCC[NH2+]Cc1ccc(O)cc1 ZINC000075423587 182436880 /nfs/dbraw/zinc/43/68/80/182436880.db2.gz OXCJYXJGOABHJQ-UHFFFAOYSA-N 0 0 237.299 2.127 10 0 BEAERN O=C([O-])[C@@H](C1CCCC1)[NH+]1CCCCC1 ZINC000050272949 182500281 /nfs/dbraw/zinc/50/02/81/182500281.db2.gz QBPVJJLOSXYJED-LLVKDONJSA-N 0 0 211.305 2.116 10 0 BEAERN O=C([O-])[C@@H]1CCCC[N@@H+]1C1CCCCC1 ZINC000035299410 182507989 /nfs/dbraw/zinc/50/79/89/182507989.db2.gz KXKWMNBEEDWXCL-NSHDSACASA-N 0 0 211.305 2.258 10 0 BEAERN CCCCNc1ncnc(OC(C)C)c1N ZINC000040706664 168881645 /nfs/dbraw/zinc/88/16/45/168881645.db2.gz ORFACMQALBKQOB-UHFFFAOYSA-N 0 0 224.308 2.058 10 0 BEAERN O=C([C@@H]1CC=CCC1)N(CCO)C1CCCC1 ZINC000042513410 182612850 /nfs/dbraw/zinc/61/28/50/182612850.db2.gz SWYSJGDPNHHEGR-GFCCVEGCSA-N 0 0 237.343 2.106 10 0 BEAERN O=C([C@@H]1CCCc2ccccc21)[C@@H]1COCCO1 ZINC000055302314 182623565 /nfs/dbraw/zinc/62/35/65/182623565.db2.gz QMGZAPZTYRSAMW-KGLIPLIRSA-N 0 0 246.306 2.091 10 0 BEAERN O=C([C@H]1COCCO1)[C@H]1CCCc2ccccc21 ZINC000055302315 182637606 /nfs/dbraw/zinc/63/76/06/182637606.db2.gz QMGZAPZTYRSAMW-UONOGXRCSA-N 0 0 246.306 2.091 10 0 BEAERN O=C(c1cc[nH]c(=O)c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366191542 182688201 /nfs/dbraw/zinc/68/82/01/182688201.db2.gz KVZDWOBHVXZSHI-RYUDHWBXSA-N 0 0 246.310 2.192 10 0 BEAERN CCOC(=O)Cc1ccc(C(F)(F)F)cn1 ZINC000095642725 170235428 /nfs/dbraw/zinc/23/54/28/170235428.db2.gz DGOIELBPFXIBEL-UHFFFAOYSA-N 0 0 233.189 2.206 10 0 BEAERN CCCCOCCCNCC(F)(F)F ZINC000083347371 168895769 /nfs/dbraw/zinc/89/57/69/168895769.db2.gz CNBGNEGTJWCLJS-UHFFFAOYSA-N 0 0 213.243 2.345 10 0 BEAERN O=C1COc2cc(Cl)cc(Cl)c2N1 ZINC000062526707 182769655 /nfs/dbraw/zinc/76/96/55/182769655.db2.gz ULKLGEHYMZWQJO-UHFFFAOYSA-N 0 0 218.039 2.324 10 0 BEAERN CCCCOC[C@@H](O)CSC[C@H]1CCCO1 ZINC000309123303 168906309 /nfs/dbraw/zinc/90/63/09/168906309.db2.gz ZRDWQJSLGWMHBK-VXGBXAGGSA-N 0 0 248.388 2.076 10 0 BEAERN O=C1c2ccccc2C(=O)N1c1ccco1 ZINC000001768180 182844535 /nfs/dbraw/zinc/84/45/35/182844535.db2.gz QYOUAGPNQODNRR-UHFFFAOYSA-N 0 0 213.192 2.080 10 0 BEAERN O=Cc1cc(Br)c(OC2CC2)cn1 ZINC000095741764 182861852 /nfs/dbraw/zinc/86/18/52/182861852.db2.gz LEYIWAYIEHWSGG-UHFFFAOYSA-N 0 0 242.072 2.198 10 0 BEAERN CC(C)(C)NC(=O)CNc1ccc(F)cc1 ZINC000020051909 166615598 /nfs/dbraw/zinc/61/55/98/166615598.db2.gz VLEVAFBFINMFDC-UHFFFAOYSA-N 0 0 224.279 2.152 10 0 BEAERN CCOCCCNC(=O)NC(C)(CC)CC ZINC000120995809 170377074 /nfs/dbraw/zinc/37/70/74/170377074.db2.gz QJXQRWYHKTXQTG-UHFFFAOYSA-N 0 0 230.352 2.291 10 0 BEAERN CCCCOc1cccc(C(N)=S)c1 ZINC000011864829 168919249 /nfs/dbraw/zinc/91/92/49/168919249.db2.gz MAKTUSLMTIUZKD-UHFFFAOYSA-N 0 0 209.314 2.500 10 0 BEAERN O=c1[nH]c2cccc(Cc3ccccc3)c2[nH]1 ZINC000089195064 182974337 /nfs/dbraw/zinc/97/43/37/182974337.db2.gz MEASGNVLXFFWQW-UHFFFAOYSA-N 0 0 224.263 2.447 10 0 BEAERN O=c1[nH]cnc2c(-c3cccc(F)c3)c[nH]c21 ZINC000021731074 182978734 /nfs/dbraw/zinc/97/87/34/182978734.db2.gz FBVXKWNLSQTCNA-UHFFFAOYSA-N 0 0 229.214 2.057 10 0 BEAERN O=c1ccc2cc(Cn3ccnc3)ccc2o1 ZINC000013586719 183001471 /nfs/dbraw/zinc/00/14/71/183001471.db2.gz IYELJSUQTAUCCY-UHFFFAOYSA-N 0 0 226.235 2.038 10 0 in-vivo BEAERN O=c1ccnc(Cc2ccc(Cl)cc2)[nH]1 ZINC000034108557 183005552 /nfs/dbraw/zinc/00/55/52/183005552.db2.gz CGYOIFUDIYJZCM-UHFFFAOYSA-N 0 0 220.659 2.014 10 0 BEAERN O=c1ncc2ccccc2n1-c1ccccc1 ZINC000098180551 183012027 /nfs/dbraw/zinc/01/20/27/183012027.db2.gz UFBFCUNAXFUILT-UHFFFAOYSA-N 0 0 222.247 2.386 10 0 BEAERN CCCC[C@@]1(c2ccccc2)NC(=N)N(C)C1=O ZINC000039952045 168978229 /nfs/dbraw/zinc/97/82/29/168978229.db2.gz YTDYDRGEHHDZFH-AWEZNQCLSA-N 0 0 245.326 2.068 10 0 BEAERN OCC1CCC(Nc2ncncc2Cl)CC1 ZINC000304532440 183040927 /nfs/dbraw/zinc/04/09/27/183040927.db2.gz BXQPGIRNGDZNMY-UHFFFAOYSA-N 0 0 241.722 2.093 10 0 BEAERN OCC1(Nc2cc(Cl)ncn2)CCCCC1 ZINC000053128403 183039580 /nfs/dbraw/zinc/03/95/80/183039580.db2.gz JMGFWIOBENNGEO-UHFFFAOYSA-N 0 0 241.722 2.237 10 0 BEAERN OCC1(Nc2ccc(Cl)nn2)CCCCC1 ZINC000053096637 183039923 /nfs/dbraw/zinc/03/99/23/183039923.db2.gz GGNDLSQANHNVME-UHFFFAOYSA-N 0 0 241.722 2.237 10 0 BEAERN OCCCSc1ccc(F)c(F)c1 ZINC000035113037 183062831 /nfs/dbraw/zinc/06/28/31/183062831.db2.gz VMYUFHBRVFBZGC-UHFFFAOYSA-N 0 0 204.241 2.439 10 0 BEAERN OCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000143465920 183096147 /nfs/dbraw/zinc/09/61/47/183096147.db2.gz NZJFYJOALNQRNQ-VIFPVBQESA-N 0 0 221.083 2.409 10 0 BEAERN CCCC[C@H](CC)C(=O)COC(C)=O ZINC000005309947 168992926 /nfs/dbraw/zinc/99/29/26/168992926.db2.gz VITHQRQQSRJGFY-JTQLQIEISA-N 0 0 200.278 2.335 10 0 BEAERN OC[C@@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000091362120 183111433 /nfs/dbraw/zinc/11/14/33/183111433.db2.gz YWKPGCMQTYETSP-GFCCVEGCSA-N 0 0 232.258 2.366 10 0 BEAERN OC[C@@H](Nc1cnccn1)c1ccc(Cl)cc1 ZINC000301962536 183111623 /nfs/dbraw/zinc/11/16/23/183111623.db2.gz TVMJDRMFYBUBAW-LLVKDONJSA-N 0 0 249.701 2.276 10 0 BEAERN OCC[C@H]1CNc2c1cccc2Br ZINC000071486892 183099293 /nfs/dbraw/zinc/09/92/93/183099293.db2.gz LSKFKILVNQXINH-ZETCQYMHSA-N 0 0 242.116 2.341 10 0 BEAERN OCCc1c(Br)ccc(F)c1F ZINC000021985419 183100115 /nfs/dbraw/zinc/10/01/15/183100115.db2.gz HDUMIKGZXIUQGL-UHFFFAOYSA-N 0 0 237.043 2.262 10 0 BEAERN OCCc1c(F)cccc1Br ZINC000075856842 183100532 /nfs/dbraw/zinc/10/05/32/183100532.db2.gz DZIAYQUNXYWRHS-UHFFFAOYSA-N 0 0 219.053 2.123 10 0 BEAERN OCCc1cscc1Br ZINC000086556530 183102049 /nfs/dbraw/zinc/10/20/49/183102049.db2.gz QNIZYXFOPCXUTG-UHFFFAOYSA-N 0 0 207.092 2.045 10 0 BEAERN OC[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000038119564 183109429 /nfs/dbraw/zinc/10/94/29/183109429.db2.gz GDPPRNNTARTDHK-BXKDBHETSA-N 0 0 241.718 2.149 10 0 BEAERN CCCCc1cc(C(=O)NCC)c(N)s1 ZINC000104423168 169017589 /nfs/dbraw/zinc/01/75/89/169017589.db2.gz QSYGCHRYGJLMDS-UHFFFAOYSA-N 0 0 226.345 2.423 10 0 BEAERN OC[C@H](Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000038119565 183142928 /nfs/dbraw/zinc/14/29/28/183142928.db2.gz GDPPRNNTARTDHK-CABZTGNLSA-N 0 0 241.718 2.149 10 0 BEAERN OC[C@@H]1CCOc2c(Br)cccc21 ZINC000145734827 183123860 /nfs/dbraw/zinc/12/38/60/183123860.db2.gz SRXINTHCZOJTFI-ZETCQYMHSA-N 0 0 243.100 2.308 10 0 BEAERN OC[C@@H]1CNc2cc(Br)ccc2C1 ZINC000011633125 183127614 /nfs/dbraw/zinc/12/76/14/183127614.db2.gz BBYZSCMYEKZTPF-ZETCQYMHSA-N 0 0 242.116 2.026 10 0 BEAERN CCCC[P@](=O)([O-])C1=CC[C@H]([NH3+])C1 ZINC000035923714 169016534 /nfs/dbraw/zinc/01/65/34/169016534.db2.gz WCUPFODMXRJZNL-QMMMGPOBSA-N 0 0 203.222 2.062 10 0 BEAERN OC[C@@H]1C[C@H]1Nc1ccc2ccccc2n1 ZINC000334242325 183131385 /nfs/dbraw/zinc/13/13/85/183131385.db2.gz OKOSEIDDFGKYFJ-CMPLNLGQSA-N 0 0 214.268 2.028 10 0 BEAERN OC[C@H]1CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000227983441 183147745 /nfs/dbraw/zinc/14/77/45/183147745.db2.gz XKHLKBUIVVQSQS-BDAKNGLRSA-N 0 0 241.722 2.093 10 0 BEAERN CCCCn1cc(C(=O)N[C@H]2C[C@H]2C)c(C)n1 ZINC000184848531 169034598 /nfs/dbraw/zinc/03/45/98/169034598.db2.gz PJUVSIUVKIEEMG-SKDRFNHKSA-N 0 0 235.331 2.130 10 0 BEAERN OC[C@H]1CCCN1c1ccnc(C(F)(F)F)c1 ZINC000283708908 183152613 /nfs/dbraw/zinc/15/26/13/183152613.db2.gz DOFIREUOKNDPMQ-SECBINFHSA-N 0 0 246.232 2.062 10 0 BEAERN CCCCn1nc(C)c(CO)c1Cl ZINC000042229811 169037525 /nfs/dbraw/zinc/03/75/25/169037525.db2.gz RFWHUOLFBLDKNB-UHFFFAOYSA-N 0 0 202.685 2.137 10 0 BEAERN OCc1cc(Br)c(F)c(F)c1F ZINC000075925995 183160786 /nfs/dbraw/zinc/16/07/86/183160786.db2.gz PRMLCVWLYPTWAH-UHFFFAOYSA-N 0 0 241.006 2.359 10 0 BEAERN OCc1ccc(-n2cccn2)cc1Cl ZINC000095929692 183162983 /nfs/dbraw/zinc/16/29/83/183162983.db2.gz VSOPIWXMMULDKR-UHFFFAOYSA-N 0 0 208.648 2.018 10 0 BEAERN OCc1ccc(Oc2cccc(F)c2F)nn1 ZINC000062652086 183166507 /nfs/dbraw/zinc/16/65/07/183166507.db2.gz ZFRATHMMZDNMGL-UHFFFAOYSA-N 0 0 238.193 2.039 10 0 BEAERN OCc1ccc(O)c(Cc2ccc(O)cc2)c1 ZINC000034128675 183166515 /nfs/dbraw/zinc/16/65/15/183166515.db2.gz RBSWDMDJKKBQRC-UHFFFAOYSA-N 0 0 230.263 2.181 10 0 BEAERN OCc1cccc(OCc2ccncc2)c1 ZINC000020031694 183168260 /nfs/dbraw/zinc/16/82/60/183168260.db2.gz VZWYMZIEFSEQNA-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN OCc1cnc(Cc2ccccc2)s1 ZINC000062201150 183169379 /nfs/dbraw/zinc/16/93/79/183169379.db2.gz VBWHPHJUZDWSQL-UHFFFAOYSA-N 0 0 205.282 2.226 10 0 BEAERN OCc1ccncc1Oc1ccccc1 ZINC000027901487 183169575 /nfs/dbraw/zinc/16/95/75/183169575.db2.gz PDXLLVWFBFRVTI-UHFFFAOYSA-N 0 0 201.225 2.366 10 0 BEAERN OCc1csc(-c2ccnc3[nH]ccc32)n1 ZINC000072167099 183170061 /nfs/dbraw/zinc/17/00/61/183170061.db2.gz DEQVBJXGQZCGGU-UHFFFAOYSA-N 0 0 231.280 2.179 10 0 BEAERN O=C1N=C(CO)SC1c1ccccc1 ZINC000106194101 183170399 /nfs/dbraw/zinc/17/03/99/183170399.db2.gz IWYWAJIIQMNFFZ-UHFFFAOYSA-N 0 0 207.254 2.008 10 0 BEAERN OCc1csc(CCc2ccccc2)n1 ZINC000083942563 183170452 /nfs/dbraw/zinc/17/04/52/183170452.db2.gz PZBPPNTXZHULHK-UHFFFAOYSA-N 0 0 219.309 2.421 10 0 BEAERN OCc1ncc(-c2cccnc2Cl)s1 ZINC000083250393 183170849 /nfs/dbraw/zinc/17/08/49/183170849.db2.gz CORVQQSRACJKTF-UHFFFAOYSA-N 0 0 226.688 2.351 10 0 BEAERN OCc1nc2c(s1)Cc1ccccc1-2 ZINC000045205970 183171019 /nfs/dbraw/zinc/17/10/19/183171019.db2.gz QNPBHBIVSYVMBG-UHFFFAOYSA-N 0 0 203.266 2.207 10 0 BEAERN O[C@@H](c1ccc(F)cc1)c1ncccc1F ZINC000075872015 183185095 /nfs/dbraw/zinc/18/50/95/183185095.db2.gz KQNRBQYGDDMKDM-LBPRGKRZSA-N 0 0 221.206 2.442 10 0 BEAERN CCCN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117634602 169058508 /nfs/dbraw/zinc/05/85/08/169058508.db2.gz GNJINPLHYMYAGE-ZWNOBZJWSA-N 0 0 233.311 2.420 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1cc(F)c(F)cc1F ZINC000061094034 183197001 /nfs/dbraw/zinc/19/70/01/183197001.db2.gz ZSTXSEFGWZGDQU-MWLCHTKSSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@@H]1CCCc2cc(O[C@@H]3CCOC3)ccc21 ZINC000070072312 183197670 /nfs/dbraw/zinc/19/76/70/183197670.db2.gz DJCKRRCOWZHOJY-TZMCWYRMSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@@H]1CCOC[C@@H]1Cc1ccccc1Cl ZINC000095078352 183202518 /nfs/dbraw/zinc/20/25/18/183202518.db2.gz VCXJTBZLSCTMRP-CMPLNLGQSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@H](c1cc2ccncc2[nH]1)c1ccccn1 ZINC000143380627 183185491 /nfs/dbraw/zinc/18/54/91/183185491.db2.gz FCJRJZUTEANELF-ZDUSSCGKSA-N 0 0 225.251 2.040 10 0 BEAERN O[C@@H](c1ccccc1)c1ncccc1F ZINC000035803561 183185608 /nfs/dbraw/zinc/18/56/08/183185608.db2.gz CYTGVEGTELDHNK-LBPRGKRZSA-N 0 0 203.216 2.302 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000277055040 183195455 /nfs/dbraw/zinc/19/54/55/183195455.db2.gz HGTRWYQMYZFPDG-DTWKUNHWSA-N 0 0 246.232 2.426 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1nc2ccccc2[nH]1 ZINC000089167226 183195964 /nfs/dbraw/zinc/19/59/64/183195964.db2.gz GQPJHVCEGLNNKG-BXKDBHETSA-N 0 0 231.299 2.136 10 0 BEAERN O[C@H](c1ccccc1)c1ncccc1F ZINC000035803562 183229207 /nfs/dbraw/zinc/22/92/07/183229207.db2.gz CYTGVEGTELDHNK-GFCCVEGCSA-N 0 0 203.216 2.302 10 0 BEAERN O[C@H](c1nccs1)c1ccccc1F ZINC000075872595 183230332 /nfs/dbraw/zinc/23/03/32/183230332.db2.gz ITNOGAXRZJVUFG-VIFPVBQESA-N 0 0 209.245 2.364 10 0 BEAERN CCCN(C)c1ncc(N)cc1Br ZINC000077395208 169089648 /nfs/dbraw/zinc/08/96/48/169089648.db2.gz RKBYDSWECZGXLI-UHFFFAOYSA-N 0 0 244.136 2.273 10 0 BEAERN CCCN(C)c1ncc(Br)cc1N ZINC000040713690 169090431 /nfs/dbraw/zinc/09/04/31/169090431.db2.gz QTNAUZCKLHTGKO-UHFFFAOYSA-N 0 0 244.136 2.273 10 0 BEAERN O[C@@H]1COC[C@H]1Nc1ccc2ccccc2c1 ZINC000037889311 183211489 /nfs/dbraw/zinc/21/14/89/183211489.db2.gz OBVSJRYOLYVTKX-ZIAGYGMSSA-N 0 0 229.279 2.011 10 0 BEAERN CCC[N@H+](CC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000076631379 169099230 /nfs/dbraw/zinc/09/92/30/169099230.db2.gz SMSAUYNKMWRQJR-UHFFFAOYSA-N 0 0 246.310 2.465 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1nc2ccccc2o1 ZINC000265535960 183238054 /nfs/dbraw/zinc/23/80/54/183238054.db2.gz CDKCPLLUQAIXBP-SCZZXKLOSA-N 0 0 218.256 2.153 10 0 BEAERN O[C@H]1CCCc2cc(O[C@@H]3CCOC3)ccc21 ZINC000070072310 183238252 /nfs/dbraw/zinc/23/82/52/183238252.db2.gz DJCKRRCOWZHOJY-OCCSQVGLSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000077389564 183240157 /nfs/dbraw/zinc/24/01/57/183240157.db2.gz YCSSRKZRJPVBAC-JTQLQIEISA-N 0 0 242.116 2.020 10 0 BEAERN CCCN(CC)C(=O)c1nc(N)ccc1Cl ZINC000050701086 169120065 /nfs/dbraw/zinc/12/00/65/169120065.db2.gz WQOAYFTWUVDFKK-UHFFFAOYSA-N 0 0 241.722 2.189 10 0 BEAERN O[C@]1(c2cccc(OC(F)(F)F)c2)CCOC1 ZINC000104062207 183252176 /nfs/dbraw/zinc/25/21/76/183252176.db2.gz BZLUCSMEAYXUIQ-SNVBAGLBSA-N 0 0 248.200 2.193 10 0 BEAERN O[C@@H]1CCCc2c1ccn2[C@@H]1CCCC[C@@H]1O ZINC000052009107 183234371 /nfs/dbraw/zinc/23/43/71/183234371.db2.gz BJWOTEYXWKVAOM-MCIONIFRSA-N 0 0 235.327 2.334 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1cc(F)ccc1F ZINC000037689759 183236486 /nfs/dbraw/zinc/23/64/86/183236486.db2.gz FPYLNJHBFWHKMP-ONGXEEELSA-N 0 0 213.227 2.290 10 0 BEAERN Oc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000000505338 183264454 /nfs/dbraw/zinc/26/44/54/183264454.db2.gz ZVVZHUDPGCGZSZ-UHFFFAOYSA-N 0 0 238.250 2.239 10 0 BEAERN CCCN(CC)c1nc2ccccn2c1C=O ZINC000035433238 169134285 /nfs/dbraw/zinc/13/42/85/169134285.db2.gz CFSKQRFKZCRUAL-UHFFFAOYSA-N 0 0 231.299 2.383 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000122447591 169135607 /nfs/dbraw/zinc/13/56/07/169135607.db2.gz SZQZPIVMJIIRKY-PWSUYJOCSA-N 0 0 225.332 2.203 10 0 BEAERN Oc1ccc(O)c2c1SCCS2 ZINC000028463568 183276237 /nfs/dbraw/zinc/27/62/37/183276237.db2.gz MRLSNZHWFFAJFY-UHFFFAOYSA-N 0 0 200.284 2.296 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000122447337 169137086 /nfs/dbraw/zinc/13/70/86/169137086.db2.gz SZQZPIVMJIIRKY-CMPLNLGQSA-N 0 0 225.332 2.203 10 0 BEAERN Oc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000049337706 183277293 /nfs/dbraw/zinc/27/72/93/183277293.db2.gz ZWEOCBAJGSAGCG-UHFFFAOYSA-N 0 0 232.239 2.232 10 0 BEAERN CCCN(CCC)c1ccc(C(N)=S)cn1 ZINC000019805525 169152108 /nfs/dbraw/zinc/15/21/08/169152108.db2.gz WFQNGNAQCXBVPP-UHFFFAOYSA-N 0 0 237.372 2.342 10 0 BEAERN Oc1ccc([C@H](O)Cc2cccnc2)cc1 ZINC000075625087 183278681 /nfs/dbraw/zinc/27/86/81/183278681.db2.gz BOVJFCBOKBFQRR-CYBMUJFWSA-N 0 0 215.252 2.063 10 0 BEAERN Oc1cc2c(cc1C(F)(F)F)NCC2 ZINC000038526379 183260620 /nfs/dbraw/zinc/26/06/20/183260620.db2.gz WPDMTKCNJNBHRW-UHFFFAOYSA-N 0 0 203.163 2.379 10 0 BEAERN Oc1cc(O)cc(CCc2cc(O)cc(O)c2)c1 ZINC000013833127 183261407 /nfs/dbraw/zinc/26/14/07/183261407.db2.gz VIONWMVCBJBNIR-UHFFFAOYSA-N 0 0 246.262 2.294 10 0 BEAERN Oc1cc2c(cc1Br)CCN2 ZINC000082371275 183261781 /nfs/dbraw/zinc/26/17/81/183261781.db2.gz IQFFIQPHOCFGQQ-UHFFFAOYSA-N 0 0 214.062 2.123 10 0 BEAERN O=c1[nH][nH]c2c1cccc2C(F)(F)F ZINC000075883933 183306823 /nfs/dbraw/zinc/30/68/23/183306823.db2.gz RUXMPIRHQAJKIL-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN CCCN(Cc1ccccc1N)C(=O)CC ZINC000035365079 169177857 /nfs/dbraw/zinc/17/78/57/169177857.db2.gz PEKVYUQRACSSFL-UHFFFAOYSA-N 0 0 220.316 2.417 10 0 BEAERN CCCN(CCC)c1ncccc1C(N)=S ZINC000019805524 169153610 /nfs/dbraw/zinc/15/36/10/169153610.db2.gz YRWWRUUTNBYBMM-UHFFFAOYSA-N 0 0 237.372 2.342 10 0 BEAERN Oc1cccc([C@@H](O)c2ccccc2)c1 ZINC000075870356 183294407 /nfs/dbraw/zinc/29/44/07/183294407.db2.gz LDVOYHIJRINIFY-ZDUSSCGKSA-N 0 0 200.237 2.474 10 0 BEAERN Oc1cccc2ccc(-n3ccnc3)nc12 ZINC000090715122 183298042 /nfs/dbraw/zinc/29/80/42/183298042.db2.gz CBLVNNMUFIFWCW-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN Oc1ccccc1-n1nnc2ccccc21 ZINC000034061861 183300262 /nfs/dbraw/zinc/30/02/62/183300262.db2.gz PQMSAAPLQZNBHK-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN Oc1ccccc1CO[C@H]1CCCCO1 ZINC000090715442 183303317 /nfs/dbraw/zinc/30/33/17/183303317.db2.gz LUXCPAGCLDDEPB-LBPRGKRZSA-N 0 0 208.257 2.435 10 0 BEAERN S=C1N=NCN1c1ccccc1Cl ZINC000020583547 183316677 /nfs/dbraw/zinc/31/66/77/183316677.db2.gz ZQGROUIPNHTYAV-UHFFFAOYSA-N 0 0 211.677 2.209 10 0 BEAERN O=c1[nH][nH]c2cc(C(F)(F)F)ccc12 ZINC000014985811 183308132 /nfs/dbraw/zinc/30/81/32/183308132.db2.gz QCNQBLFRKWASJA-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN O=c1[nH]nc(-c2ccccn2)cc1C(F)(F)F ZINC000043464360 183309070 /nfs/dbraw/zinc/30/90/70/183309070.db2.gz KPZDERTYFQOIPD-UHFFFAOYSA-N 0 0 241.172 2.263 10 0 BEAERN O=C1N=NC(c2cc3ccccc3o2)O1 ZINC000028242631 183309423 /nfs/dbraw/zinc/30/94/23/183309423.db2.gz VXCVSCVIAKVKGH-UHFFFAOYSA-N 0 0 202.169 2.188 10 0 BEAERN S=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCCC1 ZINC000035082072 183311217 /nfs/dbraw/zinc/31/12/17/183311217.db2.gz KJCKOYKEGMDMIA-HBNTYKKESA-N 0 0 224.373 2.145 10 0 BEAERN S=C1NCCN1c1cccc(Cl)c1 ZINC000071613955 183312573 /nfs/dbraw/zinc/31/25/73/183312573.db2.gz RHMJTIMIUIKQCZ-UHFFFAOYSA-N 0 0 212.705 2.035 10 0 BEAERN S=c1[nH]c2cncc(Br)c2[nH]1 ZINC000068577555 183313311 /nfs/dbraw/zinc/31/33/11/183313311.db2.gz KZENZWSTVKJVGV-UHFFFAOYSA-N 0 0 230.090 2.383 10 0 BEAERN c1cnc2cccc(C3OCCO3)c2c1 ZINC000039120810 183336618 /nfs/dbraw/zinc/33/66/18/183336618.db2.gz PNSHMLJTLNWQQI-UHFFFAOYSA-N 0 0 201.225 2.280 10 0 BEAERN CCCNC(=O)CNc1cccc(CC)c1 ZINC000020054750 169230615 /nfs/dbraw/zinc/23/06/15/169230615.db2.gz JKGIZBJFXIRZTL-UHFFFAOYSA-N 0 0 220.316 2.187 10 0 BEAERN CCCNC(=O)Cn1ccc2cc(F)ccc21 ZINC000075234204 169233395 /nfs/dbraw/zinc/23/33/95/169233395.db2.gz DIMUMNHOYMFEDN-UHFFFAOYSA-N 0 0 234.274 2.307 10 0 BEAERN CCCNC(=S)NC(=O)c1ccc(C)cc1 ZINC000013985973 169254471 /nfs/dbraw/zinc/25/44/71/169254471.db2.gz PECCAHLJOLUZPO-UHFFFAOYSA-N 0 0 236.340 2.009 10 0 BEAERN c1cc(N[C@H]2CCCSC2)cc2nn[nH]c12 ZINC000134822907 183365390 /nfs/dbraw/zinc/36/53/90/183365390.db2.gz SASYWLVGIYPVPN-VIFPVBQESA-N 0 0 234.328 2.265 10 0 BEAERN c1ccc(-c2nsc(N3CCCO3)n2)cc1 ZINC000129478373 183385566 /nfs/dbraw/zinc/38/55/66/183385566.db2.gz PSADIEFMKMBACZ-UHFFFAOYSA-N 0 0 233.296 2.347 10 0 BEAERN CCCNC(=O)N1c2ccc(N)cc2C[C@H]1C ZINC000036744392 169235115 /nfs/dbraw/zinc/23/51/15/169235115.db2.gz VJIRCRQJFSDDBN-SECBINFHSA-N 0 0 233.315 2.139 10 0 BEAERN c1nc(-c2nc3cc[nH]cc-3n2)cs1 ZINC000013679497 183377276 /nfs/dbraw/zinc/37/72/76/183377276.db2.gz ZLDMVYZYJDSJCY-UHFFFAOYSA-N 0 0 202.242 2.081 10 0 BEAERN c1coc(-c2n[nH]c(-c3ccccn3)n2)c1 ZINC000040174241 183382412 /nfs/dbraw/zinc/38/24/12/183382412.db2.gz NBXZAVVIGNQAKB-UHFFFAOYSA-N 0 0 212.212 2.127 10 0 BEAERN CCCNC(=O)[C@H](C)Nc1ccccc1F ZINC000020313701 169247420 /nfs/dbraw/zinc/24/74/20/169247420.db2.gz AHJQZEWEQSYNNO-VIFPVBQESA-N 0 0 224.279 2.152 10 0 BEAERN CCCNC(=O)[C@H](C)Oc1ccc(NC)cc1 ZINC000038057187 169247747 /nfs/dbraw/zinc/24/77/47/169247747.db2.gz YOUMFRREIKAZBI-JTQLQIEISA-N 0 0 236.315 2.022 10 0 BEAERN c1nnn(-c2ccccc2)c1-c1ccccn1 ZINC000026170133 183387423 /nfs/dbraw/zinc/38/74/23/183387423.db2.gz VKDVNOWWRSENHG-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN c1c[nH]c(CNOCc2ccccc2)c1 ZINC000082913565 183407790 /nfs/dbraw/zinc/40/77/90/183407790.db2.gz GQGVUZLKHIWYIF-UHFFFAOYSA-N 0 0 202.257 2.236 10 0 BEAERN c1nc(CNOCc2ccccc2)cs1 ZINC000083017046 183407822 /nfs/dbraw/zinc/40/78/22/183407822.db2.gz KJACVTYCMMASJI-UHFFFAOYSA-N 0 0 220.297 2.365 10 0 BEAERN CCCOC(=O)NCCc1nc2ccccc2[nH]1 ZINC000040847106 169298587 /nfs/dbraw/zinc/29/85/87/169298587.db2.gz GTUSIHGHRJEBHZ-UHFFFAOYSA-N 0 0 247.298 2.242 10 0 BEAERN CCCOCC(=O)NC(C)(CC)CC ZINC000112827712 169304214 /nfs/dbraw/zinc/30/42/14/169304214.db2.gz NBMYFXAVBIQTQW-UHFFFAOYSA-N 0 0 201.310 2.108 10 0 BEAERN CCCOCCC(=O)Nc1ccc(F)c(N)c1 ZINC000037024632 169309259 /nfs/dbraw/zinc/30/92/59/169309259.db2.gz VIBILIASGFLCNJ-UHFFFAOYSA-N 0 0 240.278 2.163 10 0 BEAERN CCCOCCOc1cc(OC)c(F)cc1N ZINC000104230082 169309949 /nfs/dbraw/zinc/30/99/49/169309949.db2.gz MNEHPKAAIVAEJG-UHFFFAOYSA-N 0 0 243.278 2.222 10 0 BEAERN CCCO[C@@H](C)C(=O)Nc1ccc(N)cc1C ZINC000037024674 169311040 /nfs/dbraw/zinc/31/10/40/169311040.db2.gz WYZHOJICJHPHOJ-JTQLQIEISA-N 0 0 236.315 2.331 10 0 BEAERN CCCOc1ccc(C=O)c(OCCCO)c1 ZINC000048022174 169317704 /nfs/dbraw/zinc/31/77/04/169317704.db2.gz QLAAWRMQCGIBFQ-UHFFFAOYSA-N 0 0 238.283 2.049 10 0 BEAERN CCCN[C@H](c1cncc(F)c1)c1ncccn1 ZINC000049576454 169290876 /nfs/dbraw/zinc/29/08/76/169290876.db2.gz WZBWJRMTRWESSA-GFCCVEGCSA-N 0 0 246.289 2.100 10 0 BEAERN CCCNc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000062796976 169293818 /nfs/dbraw/zinc/29/38/18/169293818.db2.gz ZTBJAEWMWVNMCP-UHFFFAOYSA-N 0 0 245.326 2.306 10 0 BEAERN CCCNc1cc(F)ccc1C(=O)OC ZINC000037119466 169294231 /nfs/dbraw/zinc/29/42/31/169294231.db2.gz PJZSODVYMAERBO-UHFFFAOYSA-N 0 0 211.236 2.434 10 0 BEAERN CCCNc1ccc2c(c1)CCC(=O)N2 ZINC000037124158 169294581 /nfs/dbraw/zinc/29/45/81/169294581.db2.gz GPMLTYMWKGJYTN-UHFFFAOYSA-N 0 0 204.273 2.393 10 0 BEAERN CCCNc1ccc(Cn2cc(C)cn2)cn1 ZINC000050829627 169294641 /nfs/dbraw/zinc/29/46/41/169294641.db2.gz JZHSJIDRAZVJRJ-UHFFFAOYSA-N 0 0 230.315 2.457 10 0 BEAERN CCCNc1cccc(C(=O)N[C@H]2CC2(C)C)n1 ZINC000051071492 169294752 /nfs/dbraw/zinc/29/47/52/169294752.db2.gz WIZMVTHOPMAVJP-NSHDSACASA-N 0 0 247.342 2.432 10 0 BEAERN CCCNc1ccccc1-n1cncn1 ZINC000037042402 169294919 /nfs/dbraw/zinc/29/49/19/169294919.db2.gz YTRZZYPFUZUVDL-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1ccccc1C(=O)N(C)C ZINC000037124852 169295236 /nfs/dbraw/zinc/29/52/36/169295236.db2.gz PWLJQMRAPHBBOG-UHFFFAOYSA-N 0 0 206.289 2.210 10 0 BEAERN CCCOc1ccc(C(=O)NC2CC2)cc1 ZINC000070237390 169317137 /nfs/dbraw/zinc/31/71/37/169317137.db2.gz WUDCOBOMHBQTSI-UHFFFAOYSA-N 0 0 219.284 2.368 10 0 BEAERN CCCNc1ncccc1C(=O)Nc1ccon1 ZINC000061684725 169297283 /nfs/dbraw/zinc/29/72/83/169297283.db2.gz VODGPFJYIVUGGY-UHFFFAOYSA-N 0 0 246.270 2.144 10 0 BEAERN CCCSc1cc2c(cc1N)CC(=O)N2 ZINC000035345856 169341167 /nfs/dbraw/zinc/34/11/67/169341167.db2.gz VDBVILYOBCSQQX-UHFFFAOYSA-N 0 0 222.313 2.266 10 0 BEAERN CCCSc1ccc(N)c(NC(N)=O)c1 ZINC000036743879 169341170 /nfs/dbraw/zinc/34/11/70/169341170.db2.gz PVXVCGYKIVJKCN-UHFFFAOYSA-N 0 0 225.317 2.262 10 0 BEAERN CCCOc1ccc([C@@H](O)c2cnccn2)cc1 ZINC000055262964 169321415 /nfs/dbraw/zinc/32/14/15/169321415.db2.gz YVSMCAMKNKJLFP-CQSZACIVSA-N 0 0 244.294 2.347 10 0 BEAERN CCCOc1cccc([C@@H](O)c2nccn2C)c1 ZINC000061668354 169325708 /nfs/dbraw/zinc/32/57/08/169325708.db2.gz PSTUEQKOJYLPMG-CYBMUJFWSA-N 0 0 246.310 2.291 10 0 BEAERN CCCOc1ccccc1OCC(N)=S ZINC000019502751 169327622 /nfs/dbraw/zinc/32/76/22/169327622.db2.gz MNZCZTOBJBYWJO-UHFFFAOYSA-N 0 0 225.313 2.140 10 0 BEAERN CCCOc1ncnc(NCc2ccco2)c1N ZINC000082488377 169328826 /nfs/dbraw/zinc/32/88/26/169328826.db2.gz QVGCOQRHLQCFFK-UHFFFAOYSA-N 0 0 248.286 2.053 10 0 BEAERN CCCS(=O)(=O)c1c(N)cccc1Cl ZINC000019517769 169333935 /nfs/dbraw/zinc/33/39/35/169333935.db2.gz DYTIJKZEURJJPX-UHFFFAOYSA-N 0 0 233.720 2.106 10 0 BEAERN CCCS(=O)(=O)Nc1cc(N)ccc1Cl ZINC000036743267 169334398 /nfs/dbraw/zinc/33/43/98/169334398.db2.gz WQPIQPLJFLADNH-UHFFFAOYSA-N 0 0 248.735 2.074 10 0 BEAERN c1ccc2c(c1)N=C1C3CCN(CC3)[C@H]1CN2 ZINC000033865032 183450993 /nfs/dbraw/zinc/45/09/93/183450993.db2.gz QKCACOBMNYBGJV-ZDUSSCGKSA-N 0 0 227.311 2.279 10 0 BEAERN CCC[C@@H](C)C(=O)Nc1ccncc1N ZINC000062725888 169353072 /nfs/dbraw/zinc/35/30/72/169353072.db2.gz NANCURRHWBIZMD-MRVPVSSYSA-N 0 0 207.277 2.039 10 0 BEAERN CCC[C@@H](C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000036942294 169354024 /nfs/dbraw/zinc/35/40/24/169354024.db2.gz LTIBAWFFCCCFGJ-MRVPVSSYSA-N 0 0 232.283 2.475 10 0 BEAERN CCC[C@@H](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000036955763 169358162 /nfs/dbraw/zinc/35/81/62/169358162.db2.gz LOKOLDPOCSWGAD-SECBINFHSA-N 0 0 246.310 2.301 10 0 BEAERN CCC[C@@H](C)Nc1cc(C(N)=S)ccn1 ZINC000019505681 169371375 /nfs/dbraw/zinc/37/13/75/169371375.db2.gz KMYUDYZWKHNRNU-MRVPVSSYSA-N 0 0 223.345 2.316 10 0 BEAERN CCC[C@@H](NC(=O)OC(C)(C)C)OC ZINC000039093242 169396675 /nfs/dbraw/zinc/39/66/75/169396675.db2.gz SZWDIDRLJRPBIM-QMMMGPOBSA-N 0 0 203.282 2.284 10 0 BEAERN CCC[C@@H](O)COc1cc(OC)cc(OC)c1 ZINC000070142955 169411965 /nfs/dbraw/zinc/41/19/65/169411965.db2.gz XGCOMLRIKLICEC-SNVBAGLBSA-N 0 0 240.299 2.244 10 0 BEAERN CCC[C@H](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000125647062 169476724 /nfs/dbraw/zinc/47/67/24/169476724.db2.gz NLSGVXLAUSJQCG-QJPTWQEYSA-N 0 0 227.348 2.449 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@]2(CO2)C(C)(C)C1 ZINC000390822166 166653863 /nfs/dbraw/zinc/65/38/63/166653863.db2.gz NXYFKJCZVXPERN-CYBMUJFWSA-N 0 0 241.331 2.422 10 0 BEAERN CCC[C@H](C)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000051322534 169480806 /nfs/dbraw/zinc/48/08/06/169480806.db2.gz IHCHPDPFPPXLMY-QWRGUYRKSA-N 0 0 213.321 2.219 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)Cc1cccc(O)c1 ZINC000231694909 169533339 /nfs/dbraw/zinc/53/33/39/169533339.db2.gz XQUDPVLCQGBWNI-AAEUAGOBSA-N 0 0 233.311 2.240 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccnc1F ZINC000233397069 169533455 /nfs/dbraw/zinc/53/34/55/169533455.db2.gz CMUFMCWDBDNDKT-WPRPVWTQSA-N 0 0 222.263 2.139 10 0 BEAERN CC(C)(C)OC(=O)c1cnc(C(F)F)cn1 ZINC000107267842 166675817 /nfs/dbraw/zinc/67/58/17/166675817.db2.gz JNZABWYSEOWWLI-UHFFFAOYSA-N 0 0 230.214 2.370 10 0 BEAERN CCCc1cc(NC(=O)CCSC)n[nH]1 ZINC000109913872 169566135 /nfs/dbraw/zinc/56/61/35/169566135.db2.gz AKBIECGNUATCFN-UHFFFAOYSA-N 0 0 227.333 2.054 10 0 BEAERN CCCc1nnc(NC[C@@H]2CCCO2)s1 ZINC000301662869 169598164 /nfs/dbraw/zinc/59/81/64/169598164.db2.gz KMKQBPQOOIJRAV-QMMMGPOBSA-N 0 0 227.333 2.082 10 0 BEAERN CCCc1noc([C@H](N)Cc2ccccc2)n1 ZINC000036915736 169604989 /nfs/dbraw/zinc/60/49/89/169604989.db2.gz ACMMXUASSWVFRF-LLVKDONJSA-N 0 0 231.299 2.265 10 0 BEAERN CCCc1noc([C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC000333813878 169605613 /nfs/dbraw/zinc/60/56/13/169605613.db2.gz PZZDXRGYBHDQNP-DJLDLDEBSA-N 0 0 220.272 2.105 10 0 BEAERN CC(C)(C)SCc1nnsc1N ZINC000050833677 166691428 /nfs/dbraw/zinc/69/14/28/166691428.db2.gz RVWNRZVRYPDUTJ-UHFFFAOYSA-N 0 0 203.336 2.152 10 0 BEAERN CCN(C(=O)CNc1ccc(C)cc1)C1CC1 ZINC000049292572 169636496 /nfs/dbraw/zinc/63/64/96/169636496.db2.gz KSSFWRRGHAUKSF-UHFFFAOYSA-N 0 0 232.327 2.418 10 0 BEAERN CCN(C(=O)NC[C@@H](O)CC(C)(C)C)C(C)C ZINC000186082689 169642624 /nfs/dbraw/zinc/64/26/24/169642624.db2.gz MAEWJQVIEIFAGH-NSHDSACASA-N 0 0 244.379 2.223 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)c1ccccc1 ZINC000103360587 169647078 /nfs/dbraw/zinc/64/70/78/169647078.db2.gz OXRPBPUAZIVSQI-NSHDSACASA-N 0 0 221.300 2.322 10 0 BEAERN O=C(OCC1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000184393438 134362730 /nfs/dbraw/zinc/36/27/30/134362730.db2.gz QHGUTEYCMPBCAE-RYUDHWBXSA-N 0 0 239.315 2.176 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)NC(C)(C)C)o1 ZINC000226535921 134364307 /nfs/dbraw/zinc/36/43/07/134364307.db2.gz ISUPUZWHLLTQGA-MRVPVSSYSA-N 0 0 225.292 2.142 10 0 BEAERN Nc1ccnc(-c2ccc(Cl)cn2)c1 ZINC000072204256 383825323 /nfs/dbraw/zinc/82/53/23/383825323.db2.gz AAGVLSPVBJNRGA-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Cc1ccc(CN(C)C(=O)C(C)(C)F)o1 ZINC000131478775 383825647 /nfs/dbraw/zinc/82/56/47/383825647.db2.gz DJPVWKCRNQEREO-UHFFFAOYSA-N 0 0 213.252 2.295 10 0 BEAERN FC1(F)CNCC[C@H]1COCc1ccccc1 ZINC000066351301 383860126 /nfs/dbraw/zinc/86/01/26/383860126.db2.gz CSJSUJYURQPBAA-LBPRGKRZSA-N 0 0 241.281 2.448 10 0 BEAERN CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000111599345 383869090 /nfs/dbraw/zinc/86/90/90/383869090.db2.gz SPJGROWIUYYIJX-PRHODGIISA-N 0 0 217.268 2.027 10 0 BEAERN Cc1ccc([C@@H](C)Nc2cnn(C)c2)o1 ZINC000035737753 383873865 /nfs/dbraw/zinc/87/38/65/383873865.db2.gz GHZSCTNPMWHBCL-SECBINFHSA-N 0 0 205.261 2.495 10 0 BEAERN Cl/C=C/CN1CCO[C@H](c2nccs2)C1 ZINC000111691574 383877015 /nfs/dbraw/zinc/87/70/15/383877015.db2.gz BDXURRZXBFMPBI-VWCDRPFISA-N 0 0 244.747 2.269 10 0 BEAERN CCc1cc(C(C)=O)cc(C#N)c1OC ZINC000575648604 383906730 /nfs/dbraw/zinc/90/67/30/383906730.db2.gz VQBZRXVAGHIPBG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Nc1nc(-c2ccc3cccc(F)c3n2)ns1 ZINC000067173750 383915124 /nfs/dbraw/zinc/91/51/24/383915124.db2.gz XGCDZTMZPFSKJV-UHFFFAOYSA-N 0 0 246.270 2.475 10 0 BEAERN Cc1csc(CN2[C@H](C)COC[C@H]2C)n1 ZINC000088601510 383915568 /nfs/dbraw/zinc/91/55/68/383915568.db2.gz WVZCOCDEICJDJH-NXEZZACHSA-N 0 0 226.345 2.061 10 0 BEAERN CC[C@@H](C)[C@H](O)CNc1ccnc(C2CC2)n1 ZINC000112334241 383915982 /nfs/dbraw/zinc/91/59/82/383915982.db2.gz WNKYJGRBWSJRJU-MWLCHTKSSA-N 0 0 235.331 2.173 10 0 BEAERN Cc1ccc([C@@H](C)NCc2ccnn2C)o1 ZINC000036960549 383923413 /nfs/dbraw/zinc/92/34/13/383923413.db2.gz ABNPPRJSEJEFLF-SNVBAGLBSA-N 0 0 219.288 2.172 10 0 BEAERN CC[C@H](NC(=O)Cc1ccccc1O)C(C)C ZINC000112022405 383891079 /nfs/dbraw/zinc/89/10/79/383891079.db2.gz AQIXHLYPHGANFL-LBPRGKRZSA-N 0 0 235.327 2.486 10 0 BEAERN CCN(CC1CC1)C(=O)c1ccc(COC)o1 ZINC000112198522 383902565 /nfs/dbraw/zinc/90/25/65/383902565.db2.gz HPZVTZUCNSRGGM-UHFFFAOYSA-N 0 0 237.299 2.298 10 0 BEAERN Nc1c(Br)cnn1CC1CCCC1 ZINC000050272014 383988189 /nfs/dbraw/zinc/98/81/89/383988189.db2.gz QJLPPTDELPEHKT-UHFFFAOYSA-N 0 0 244.136 2.418 10 0 BEAERN N#Cc1ccc(C(F)(F)F)c(CO)c1F ZINC000575649849 383995417 /nfs/dbraw/zinc/99/54/17/383995417.db2.gz UZBBDGUZUMHBBT-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1ccc([C@H]2NC[C@@H](C)O[C@H]2C)o1 ZINC000068576055 383998626 /nfs/dbraw/zinc/99/86/26/383998626.db2.gz ZKMFNBKTKXOQST-PTRXPTGYSA-N 0 0 209.289 2.280 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nc2ccccc2n1C ZINC000070609121 383936898 /nfs/dbraw/zinc/93/68/98/383936898.db2.gz JUUWIYZESIVXNA-SCZZXKLOSA-N 0 0 201.273 2.394 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2O)cc1C ZINC000089162293 383939003 /nfs/dbraw/zinc/93/90/03/383939003.db2.gz QLIJFPGSPMZTPZ-KBPBESRZSA-N 0 0 247.338 2.194 10 0 BEAERN COc1ccc(CO)c(C(F)(F)F)c1C#N ZINC000575645482 383943687 /nfs/dbraw/zinc/94/36/87/383943687.db2.gz CBVHZQYSTAONTK-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN Nc1ccc2cnn(Oc3ccccc3)c2c1 ZINC000089197759 383944915 /nfs/dbraw/zinc/94/49/15/383944915.db2.gz JRAALYHTYXBDCO-UHFFFAOYSA-N 0 0 225.251 2.461 10 0 BEAERN Ic1cc2cc[nH]c2cn1 ZINC000089213128 383949409 /nfs/dbraw/zinc/94/94/09/383949409.db2.gz VGNBLZFSJLZCNH-UHFFFAOYSA-N 0 0 244.035 2.168 10 0 BEAERN CC[C@@H](C)Nc1nccc2n[nH]c(C)c21 ZINC000089220141 383949577 /nfs/dbraw/zinc/94/95/77/383949577.db2.gz WMBMFNBXMGAYOE-SSDOTTSWSA-N 0 0 204.277 2.477 10 0 BEAERN O=C1Nc2nc(Cl)ccc2C12CCCC2 ZINC000089221871 383950032 /nfs/dbraw/zinc/95/00/32/383950032.db2.gz UTLVPFCKGRJKSV-UHFFFAOYSA-N 0 0 222.675 2.499 10 0 BEAERN CSc1nc2n[nH]c(C)c2c(SC)n1 ZINC000089222666 383950122 /nfs/dbraw/zinc/95/01/22/383950122.db2.gz RRKJCGAWQGJCJB-UHFFFAOYSA-N 0 0 226.330 2.105 10 0 BEAERN CC[S@](=O)c1nc2ncc(Cl)cc2s1 ZINC000089229504 383951889 /nfs/dbraw/zinc/95/18/89/383951889.db2.gz CJYGTZPSWOUHTR-CQSZACIVSA-N 0 0 246.744 2.472 10 0 BEAERN CCOc1cc(C(C)=O)c(C)cc1C#N ZINC000575648967 383955236 /nfs/dbraw/zinc/95/52/36/383955236.db2.gz OSSVDXXTDOBREE-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCc1cc(C(C)=O)c([N+](=O)[O-])cc1C#N ZINC000575649214 383957797 /nfs/dbraw/zinc/95/77/97/383957797.db2.gz UOPDEIKBNAASJY-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1cc(C(=O)NC(C)(CC)CC)[nH]n1 ZINC000112938147 383959256 /nfs/dbraw/zinc/95/92/56/383959256.db2.gz PTXQMFDNNLEYTR-UHFFFAOYSA-N 0 0 223.320 2.281 10 0 BEAERN COCc1csc(NC(=O)c2ccco2)n1 ZINC000115242760 384001740 /nfs/dbraw/zinc/00/17/40/384001740.db2.gz SARZWKGSUPYGRL-UHFFFAOYSA-N 0 0 238.268 2.135 10 0 BEAERN CCc1c(C(C)=O)ccc(C#N)c1[N+](=O)[O-] ZINC000575650138 384026067 /nfs/dbraw/zinc/02/60/67/384026067.db2.gz WMOGAJLEXBRNDA-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN O=C(C1=CCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000335848741 384006642 /nfs/dbraw/zinc/00/66/42/384006642.db2.gz QGFOPKAVDGOTQF-ZFWWWQNUSA-N 0 0 249.354 2.250 10 0 BEAERN Cc1nnc([C@@H](C)N2CCS[C@@H](C)C2)s1 ZINC000335852592 384012554 /nfs/dbraw/zinc/01/25/54/384012554.db2.gz UHHQLHSAIFBNHZ-JGVFFNPUSA-N 0 0 243.401 2.345 10 0 BEAERN CC(C)C(CNC(=O)[C@@H]1OCC[C@@H]1C)C(C)C ZINC000229710102 259642863 /nfs/dbraw/zinc/64/28/63/259642863.db2.gz YHOTVMUUWRGTRA-WCQYABFASA-N 0 0 241.375 2.456 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccncc1F ZINC000075374393 384046192 /nfs/dbraw/zinc/04/61/92/384046192.db2.gz VFRPBYWAVMYRRZ-KCJUWKMLSA-N 0 0 222.263 2.139 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)nc1 ZINC000074225038 384032236 /nfs/dbraw/zinc/03/22/36/384032236.db2.gz HWBIFPUASYOWFJ-SCZZXKLOSA-N 0 0 222.263 2.139 10 0 BEAERN CCOc1ccc2c(n1)CCN(C(=O)C(C)C)C2 ZINC000257183985 384052855 /nfs/dbraw/zinc/05/28/55/384052855.db2.gz SSTCIRCIMHRAHM-UHFFFAOYSA-N 0 0 248.326 2.021 10 0 BEAERN CN(CCOc1ccccc1F)Cc1cc[nH]n1 ZINC000114461017 384038203 /nfs/dbraw/zinc/03/82/03/384038203.db2.gz PXXONPZJIFEPBV-UHFFFAOYSA-N 0 0 249.289 2.060 10 0 BEAERN CC[C@@H](C)Cn1cc(Br)c(N)n1 ZINC000050424504 384038454 /nfs/dbraw/zinc/03/84/54/384038454.db2.gz AIHFWBMXRYSPOS-ZCFIWIBFSA-N 0 0 232.125 2.274 10 0 BEAERN Cc1cc(OC(F)F)c(C(N)=O)cc1C ZINC000575652117 384083173 /nfs/dbraw/zinc/08/31/73/384083173.db2.gz BBGNVCCOMLVMLG-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN c1ncc(CN[C@H]2COc3ccccc32)s1 ZINC000070068866 384075840 /nfs/dbraw/zinc/07/58/40/384075840.db2.gz OOAFFYNNCIYNFG-NSHDSACASA-N 0 0 232.308 2.366 10 0 BEAERN CCCC(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000070236627 384091378 /nfs/dbraw/zinc/09/13/78/384091378.db2.gz ZHXHNTZQXNURGR-NSHDSACASA-N 0 0 220.316 2.500 10 0 BEAERN Cc1ccc2n1CCN(C(=O)C1CC1)[C@@H]2C ZINC000070236633 384091395 /nfs/dbraw/zinc/09/13/95/384091395.db2.gz XVVDYUSHRGGDBI-SNVBAGLBSA-N 0 0 218.300 2.110 10 0 BEAERN CC(=O)c1nc(Br)cs1 ZINC000038325373 384081244 /nfs/dbraw/zinc/08/12/44/384081244.db2.gz YQJROTDRGHSQNZ-UHFFFAOYSA-N 0 0 206.064 2.108 10 0 BEAERN CC[C@@H](C)c1nc(Br)no1 ZINC000156575836 384108116 /nfs/dbraw/zinc/10/81/16/384108116.db2.gz YFQHEKTULBSQKZ-SCSAIBSYSA-N 0 0 205.055 2.346 10 0 BEAERN Brc1noc(-c2ccoc2)n1 ZINC000156580439 384108670 /nfs/dbraw/zinc/10/86/70/384108670.db2.gz GPLMVPVGSJUQCL-UHFFFAOYSA-N 0 0 215.006 2.092 10 0 BEAERN Cn1ncc2c1C[C@@H](c1ccc(F)cc1)C[C@H]2O ZINC000072415848 384109025 /nfs/dbraw/zinc/10/90/25/384109025.db2.gz HJXJJPFRRPXUKR-QMTHXVAHSA-N 0 0 246.285 2.323 10 0 BEAERN COC(=O)c1ccc(CCc2ccccc2)nn1 ZINC000091352010 384120826 /nfs/dbraw/zinc/12/08/26/384120826.db2.gz IOPLSEWANKURSA-UHFFFAOYSA-N 0 0 242.278 2.048 10 0 BEAERN Clc1cc(N2CCCC2)nc(Cl)n1 ZINC000091363857 384121040 /nfs/dbraw/zinc/12/10/40/384121040.db2.gz ZSRQVXSPXHZOAB-UHFFFAOYSA-N 0 0 218.087 2.384 10 0 BEAERN O=C1CCCc2cc(-n3ccnc3)ccc21 ZINC000091366481 384124038 /nfs/dbraw/zinc/12/40/38/384124038.db2.gz RABNURMUMQKOFP-UHFFFAOYSA-N 0 0 212.252 2.391 10 0 BEAERN Cc1cc(C)c(C(=O)NCC2CC(O)C2)c(C)c1 ZINC000091524746 384131839 /nfs/dbraw/zinc/13/18/39/384131839.db2.gz WXEAQEMZVJIFNK-UHFFFAOYSA-N 0 0 247.338 2.113 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)nc1 ZINC000336559858 384137939 /nfs/dbraw/zinc/13/79/39/384137939.db2.gz VXKMXXOREHALJV-MNOVXSKESA-N 0 0 231.299 2.406 10 0 BEAERN Clc1nnc(C2CCOCC2)s1 ZINC000071051003 384149105 /nfs/dbraw/zinc/14/91/05/384149105.db2.gz KRXCTFZQMXMLFE-UHFFFAOYSA-N 0 0 204.682 2.086 10 0 BEAERN CCONC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000116721184 384153011 /nfs/dbraw/zinc/15/30/11/384153011.db2.gz NXSVMFNIDSBIRK-UHFFFAOYSA-N 0 0 236.246 2.297 10 0 BEAERN Nc1cc(Cl)c(Br)cc1CO ZINC000116551747 384141778 /nfs/dbraw/zinc/14/17/78/384141778.db2.gz TUYSJQDXRVTMSR-UHFFFAOYSA-N 0 0 236.496 2.177 10 0 BEAERN CCOC(OCC)c1cn(C(C)(C)C)nn1 ZINC000009339935 384144965 /nfs/dbraw/zinc/14/49/65/384144965.db2.gz TYSFPRWYDKUYEU-UHFFFAOYSA-N 0 0 227.308 2.105 10 0 BEAERN O=C(c1occc1Br)C(F)F ZINC000156625689 384158681 /nfs/dbraw/zinc/15/86/81/384158681.db2.gz NDOSHIWHUPLNJY-UHFFFAOYSA-N 0 0 224.988 2.490 10 0 BEAERN CC(C)c1cc(Br)ncn1 ZINC000040766576 384163167 /nfs/dbraw/zinc/16/31/67/384163167.db2.gz KBZOFQYJNZBLEL-UHFFFAOYSA-N 0 0 201.067 2.363 10 0 BEAERN Clc1nnc(COc2ccccc2)o1 ZINC000071512344 384169379 /nfs/dbraw/zinc/16/93/79/384169379.db2.gz QJONUOVWDBQEPO-UHFFFAOYSA-N 0 0 210.620 2.302 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)C1=CCCCCC1 ZINC000336579075 384171375 /nfs/dbraw/zinc/17/13/75/384171375.db2.gz YXCLNYJHTQQTDI-CMPLNLGQSA-N 0 0 223.316 2.171 10 0 BEAERN CCOc1cc(CO)cc(F)c1OC(F)F ZINC000575654521 384178942 /nfs/dbraw/zinc/17/89/42/384178942.db2.gz ACOCFEZKTZWVHG-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CC(C)(O)c1ccc(C(F)(F)F)nc1 ZINC000072194634 384201018 /nfs/dbraw/zinc/20/10/18/384201018.db2.gz STLZRNRPGIKLHI-UHFFFAOYSA-N 0 0 205.179 2.328 10 0 BEAERN COC(=O)c1cc(C)c(OC(F)(F)F)cc1N ZINC000139929078 384187648 /nfs/dbraw/zinc/18/76/48/384187648.db2.gz UAOOCRNFHSCWTE-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN O=C(c1ccc(Cl)cn1)N1C[C@@H]2CCC[C@H]21 ZINC000336590307 384189454 /nfs/dbraw/zinc/18/94/54/384189454.db2.gz JTNAFOZKBVMJHL-GZMMTYOYSA-N 0 0 236.702 2.360 10 0 BEAERN Cc1cc2c(oc(=O)n2C)c(Br)c1 ZINC000041568996 384192852 /nfs/dbraw/zinc/19/28/52/384192852.db2.gz JWSSQBSMJHCGDP-UHFFFAOYSA-N 0 0 242.072 2.202 10 0 BEAERN COC(OC)c1ccnn1-c1ccc(F)cc1 ZINC000072190435 384198583 /nfs/dbraw/zinc/19/85/83/384198583.db2.gz JFXNGDOZWMUVMI-UHFFFAOYSA-N 0 0 236.246 2.303 10 0 BEAERN CC[C@H](NC(=O)Cc1cccc(O)c1)C(C)C ZINC000042593662 384232301 /nfs/dbraw/zinc/23/23/01/384232301.db2.gz NXSWXNFVCXBXFK-ZDUSSCGKSA-N 0 0 235.327 2.486 10 0 BEAERN CC(C)CCCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132534831 384235929 /nfs/dbraw/zinc/23/59/29/384235929.db2.gz DLWDRCXRQQKMGV-LLVKDONJSA-N 0 0 249.358 2.382 10 0 BEAERN COC(=O)c1cc(O)c2cc(F)ccc2c1 ZINC000082319710 384223068 /nfs/dbraw/zinc/22/30/68/384223068.db2.gz GKFXRSUWILKQJF-UHFFFAOYSA-N 0 0 220.199 2.471 10 0 BEAERN CCCCN(CCO)c1ncnc2ccccc21 ZINC000042493153 384225067 /nfs/dbraw/zinc/22/50/67/384225067.db2.gz CGRUUIIVAHFRIS-UHFFFAOYSA-N 0 0 245.326 2.229 10 0 BEAERN OC[C@@H](O)CSCCCC1CCCC1 ZINC000119234464 384250518 /nfs/dbraw/zinc/25/05/18/384250518.db2.gz BSUVNJCQVARCKR-LLVKDONJSA-N 0 0 218.362 2.043 10 0 BEAERN O=C(CCC1CCCC1)N1CC[C@@H](CCO)C1 ZINC000122987166 384270040 /nfs/dbraw/zinc/27/00/40/384270040.db2.gz PVKVHZYCBLYNTL-ZDUSSCGKSA-N 0 0 239.359 2.188 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCc2cc(F)ccc2C1 ZINC000093790849 384270272 /nfs/dbraw/zinc/27/02/72/384270272.db2.gz RPHHSCNRYYTGMW-RNCFNFMXSA-N 0 0 248.301 2.302 10 0 BEAERN C[C@@H]1Sc2c(c(F)ccc2F)[C@H]1[NH3+] ZINC000043641002 384289765 /nfs/dbraw/zinc/28/97/65/384289765.db2.gz ZPWJGQHUSPVZDI-NVNXEXLPSA-N 0 0 201.241 2.459 10 0 BEAERN CCn1ccnc1Cn1cnc2ccccc21 ZINC000168689547 384295524 /nfs/dbraw/zinc/29/55/24/384295524.db2.gz XGPCKNUGUXUBHH-UHFFFAOYSA-N 0 0 226.283 2.301 10 0 BEAERN Cc1nc(-c2ccc(Br)cn2)no1 ZINC000142181315 384297976 /nfs/dbraw/zinc/29/79/76/384297976.db2.gz FJWXIWBINYNRCO-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN Cc1ccc(Br)c(N)c1F ZINC000075843649 384342410 /nfs/dbraw/zinc/34/24/10/384342410.db2.gz OFUBZJVWLWYHRI-UHFFFAOYSA-N 0 0 204.042 2.479 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2CCO[C@H]2C)ccc1F ZINC000134251226 384343368 /nfs/dbraw/zinc/34/33/68/384343368.db2.gz GGFGTKVIXBIKCU-JOYOIKCWSA-N 0 0 237.274 2.041 10 0 BEAERN CCN(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000134243489 384343382 /nfs/dbraw/zinc/34/33/82/384343382.db2.gz PNDJHOWUSHBLDZ-NSHDSACASA-N 0 0 234.299 2.172 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(OCC)ncn1 ZINC000228854396 384349678 /nfs/dbraw/zinc/34/96/78/384349678.db2.gz STWUSEJYQXKPKK-VHSXEESVSA-N 0 0 221.304 2.476 10 0 BEAERN COCc1ccc(CNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075979388 384350026 /nfs/dbraw/zinc/35/00/26/384350026.db2.gz IPKPFXOPIUAPAT-MFKMUULPSA-N 0 0 248.326 2.041 10 0 BEAERN COCc1ccccc1CNC(=O)N[C@H]1C[C@@H]1C ZINC000075982004 384350300 /nfs/dbraw/zinc/35/03/00/384350300.db2.gz ZEFTUJAFIHHDLW-GWCFXTLKSA-N 0 0 248.326 2.041 10 0 BEAERN CCc1cc(OC)cc(CO)c1OC(F)F ZINC000575655647 384355746 /nfs/dbraw/zinc/35/57/46/384355746.db2.gz ARLYQGJXSJQAEK-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Nc1cc(OC(=O)c2ccccc2)ccc1O ZINC000095081190 384357318 /nfs/dbraw/zinc/35/73/18/384357318.db2.gz OFKHNBSFYQAFJJ-UHFFFAOYSA-N 0 0 229.235 2.194 10 0 BEAERN COc1c2cccc(C(C)=O)c2oc(=O)c1OC ZINC000095080422 384357327 /nfs/dbraw/zinc/35/73/27/384357327.db2.gz UYQCJCOXWDFQKJ-UHFFFAOYSA-N 0 0 248.234 2.013 10 0 BEAERN Cc1ccc(OC(=O)CCc2ccnn2C)cc1 ZINC000120539046 384359855 /nfs/dbraw/zinc/35/98/55/384359855.db2.gz QMQQHLBLCARAFY-UHFFFAOYSA-N 0 0 244.294 2.267 10 0 BEAERN COC(=O)c1cn2ccc(C(F)(F)F)cc2n1 ZINC000095093463 384362805 /nfs/dbraw/zinc/36/28/05/384362805.db2.gz DQPLVBDGBHLCMV-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN OC/C=C\c1ccc(Br)cc1 ZINC000013542602 384365740 /nfs/dbraw/zinc/36/57/40/384365740.db2.gz DLEIRQMIYDUVBY-UPHRSURJSA-N 0 0 213.074 2.455 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccncc1Cl ZINC000134572118 384368046 /nfs/dbraw/zinc/36/80/46/384368046.db2.gz HBRSWYDQFCISQT-IONNQARKSA-N 0 0 212.680 2.324 10 0 BEAERN Nc1c(-c2ccc(F)cc2)nc2scnn12 ZINC000095221132 384368157 /nfs/dbraw/zinc/36/81/57/384368157.db2.gz UTNHSKGNFCYHIU-UHFFFAOYSA-N 0 0 234.259 2.179 10 0 BEAERN CCOc1c(OC)ccc(OC(F)F)c1CO ZINC000575656618 384372634 /nfs/dbraw/zinc/37/26/34/384372634.db2.gz GSXVXNHZJOVKTB-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000075528618 384328841 /nfs/dbraw/zinc/32/88/41/384328841.db2.gz VTNAAFAAFVAPSP-PWSUYJOCSA-N 0 0 203.285 2.442 10 0 BEAERN CCc1ccccc1OCC(=O)N[C@@H]1C[C@@H]1C ZINC000075530718 384330437 /nfs/dbraw/zinc/33/04/37/384330437.db2.gz VJVJXTKRHGSSSP-CMPLNLGQSA-N 0 0 233.311 2.152 10 0 BEAERN CC(C)c1ncc(C(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000134121439 384334025 /nfs/dbraw/zinc/33/40/25/384334025.db2.gz XFMMKHDINHQEQS-JGVFFNPUSA-N 0 0 224.329 2.405 10 0 BEAERN [NH3+][C@H](CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000095749160 384393196 /nfs/dbraw/zinc/39/31/96/384393196.db2.gz YHEKYBSDNWZYJS-SECBINFHSA-N 0 0 247.216 2.050 10 0 BEAERN CCOc1cc(CO)cc(OC(F)F)c1OC ZINC000575658636 384397660 /nfs/dbraw/zinc/39/76/60/384397660.db2.gz VSFOFFZBDBNILJ-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN Cc1cnc2c(Br)nc(Cl)cn12 ZINC000095829912 384399366 /nfs/dbraw/zinc/39/93/66/384399366.db2.gz QWEAGIBSBWTULE-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN CC(=O)c1ccc(F)c(N(C)C(C)=O)c1 ZINC000095829980 384400853 /nfs/dbraw/zinc/40/08/53/384400853.db2.gz CJUINLJQLUXVOD-UHFFFAOYSA-N 0 0 209.220 2.011 10 0 BEAERN CCOC(=O)[C@H]1CCCCN1c1cccnc1 ZINC000095830315 384400933 /nfs/dbraw/zinc/40/09/33/384400933.db2.gz JWJALRGXLHPRGR-GFCCVEGCSA-N 0 0 234.299 2.004 10 0 BEAERN CC[C@H](N[C@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974207 384404149 /nfs/dbraw/zinc/40/41/49/384404149.db2.gz BDRVDOLXPHAMQB-KBPBESRZSA-N 0 0 247.338 2.085 10 0 BEAERN Cc1sc(Br)nc1C=O ZINC000095930444 384409770 /nfs/dbraw/zinc/40/97/70/384409770.db2.gz NTDQOUDMMMDAMH-UHFFFAOYSA-N 0 0 206.064 2.027 10 0 BEAERN Cc1cnccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000121332308 384412101 /nfs/dbraw/zinc/41/21/01/384412101.db2.gz FYWXCVUGEQKDGS-JQWIXIFHSA-N 0 0 249.314 2.079 10 0 BEAERN COC(=O)c1nc2cccc(Cl)c2[n-]1 ZINC000095936210 384415209 /nfs/dbraw/zinc/41/52/09/384415209.db2.gz MINDENCNRXQDTR-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN CC[C@@H](C)NS(=O)(=O)/C=C\c1ccccc1 ZINC000095938594 384416635 /nfs/dbraw/zinc/41/66/35/384416635.db2.gz NXIDHHDPXSKZBI-DWOQACPDSA-N 0 0 239.340 2.375 10 0 BEAERN O=Cc1cnc2[nH]ccc(N3CCCCC3)c1-2 ZINC000095938272 384417024 /nfs/dbraw/zinc/41/70/24/384417024.db2.gz ZXHHNBDBFAOBBK-UHFFFAOYSA-N 0 0 229.283 2.366 10 0 BEAERN Cc1cc(F)cc(OC(F)F)c1CO ZINC000575662005 384417827 /nfs/dbraw/zinc/41/78/27/384417827.db2.gz ZAZCZWGOKSHHLG-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COc1cc(OC(F)F)c(C(C)=O)cc1O ZINC000575663298 384425039 /nfs/dbraw/zinc/42/50/39/384425039.db2.gz VXWFPRGRNQLLDS-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CC(C)[C@H](C)NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000174962708 384377870 /nfs/dbraw/zinc/37/78/70/384377870.db2.gz DKNRDQZMUKPYRC-WOPDTQHZSA-N 0 0 227.348 2.495 10 0 BEAERN c1nnc(-c2nc3ccccc3s2)o1 ZINC000045237587 384383651 /nfs/dbraw/zinc/38/36/51/384383651.db2.gz DWBMRTPTFWQMEB-UHFFFAOYSA-N 0 0 203.226 2.346 10 0 BEAERN CCc1csc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000084232701 384383932 /nfs/dbraw/zinc/38/39/32/384383932.db2.gz ONNCPPMUGJNFPM-WPRPVWTQSA-N 0 0 226.345 2.278 10 0 BEAERN O=c1[nH]c2c(s1)c(F)c(F)c(F)c2F ZINC000045237359 384384376 /nfs/dbraw/zinc/38/43/76/384384376.db2.gz OPBOLOXZRRXSAJ-UHFFFAOYSA-N 0 0 223.150 2.146 10 0 BEAERN Cc1ccn2c(c1)nnc2NC(=O)CC1CCC1 ZINC000121914556 384444674 /nfs/dbraw/zinc/44/46/74/384444674.db2.gz XODVMUWZPQRVHT-UHFFFAOYSA-N 0 0 244.298 2.166 10 0 BEAERN Clc1cc(N[C@H]2CCCOC2)ccn1 ZINC000121979989 384448226 /nfs/dbraw/zinc/44/82/26/384448226.db2.gz ADOFNZNCXOBUFJ-VIFPVBQESA-N 0 0 212.680 2.326 10 0 BEAERN CCOc1cc(CO)c(C(F)F)cc1O ZINC000575669096 384450721 /nfs/dbraw/zinc/45/07/21/384450721.db2.gz YLDOHMMYNBIYPU-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN COc1cc(CO)cc(C(F)F)c1C ZINC000575670690 384458058 /nfs/dbraw/zinc/45/80/58/384458058.db2.gz KDLMUNAXLYNFFC-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(C=O)cc(OC(F)F)c1C ZINC000575664939 384429480 /nfs/dbraw/zinc/42/94/80/384429480.db2.gz MEKZTRUVNITXFQ-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN Cc1nc(Cl)cc(N2CCS[C@@H](C)C2)n1 ZINC000122503262 384485138 /nfs/dbraw/zinc/48/51/38/384485138.db2.gz LLIFEABMHUBMAS-ZETCQYMHSA-N 0 0 243.763 2.380 10 0 BEAERN COc1cc(OC)c(C(F)(F)F)cc1O ZINC000575672029 384463747 /nfs/dbraw/zinc/46/37/47/384463747.db2.gz UXFNOMGPFIFXBR-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)ccc1O ZINC000148556756 384469477 /nfs/dbraw/zinc/46/94/77/384469477.db2.gz ZNCUVNNUHRIBOH-SKDRFNHKSA-N 0 0 235.283 2.207 10 0 BEAERN COc1cc(C(N)=O)cc(C)c1C(F)(F)F ZINC000575673303 384470022 /nfs/dbraw/zinc/47/00/22/384470022.db2.gz IGKOYNYEDQKIGL-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN CCc1nnc(C[NH2+]C(CC)(CC)CC)n1C ZINC000175673676 384471749 /nfs/dbraw/zinc/47/17/49/384471749.db2.gz XWQGGSXEMJGMHL-UHFFFAOYSA-N 0 0 238.379 2.436 10 0 BEAERN Cc1sccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000294187298 384472099 /nfs/dbraw/zinc/47/20/99/384472099.db2.gz FOHKUJCKZCKHFJ-IUCAKERBSA-N 0 0 239.340 2.306 10 0 BEAERN CC(C)CCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149174545 384476920 /nfs/dbraw/zinc/47/69/20/384476920.db2.gz PVFKUZQWVBTTHJ-UHFFFAOYSA-N 0 0 238.375 2.119 10 0 BEAERN COC(=O)[C@@H]1CC[C@@H](c2ccc(C)cc2)CN1 ZINC000079026377 384479496 /nfs/dbraw/zinc/47/94/96/384479496.db2.gz YRQYNUYPGNPAHW-OLZOCXBDSA-N 0 0 233.311 2.004 10 0 BEAERN Cc1ccc(O)c(C=O)c1Br ZINC000079063882 384482406 /nfs/dbraw/zinc/48/24/06/384482406.db2.gz KMLOGCJUGMLLDP-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN COC(=O)c1ccc([C@@H]2CCC(=O)C2)cc1 ZINC000079064026 384483041 /nfs/dbraw/zinc/48/30/41/384483041.db2.gz OITDJNXTOFVJCL-LLVKDONJSA-N 0 0 218.252 2.310 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccno2)C1 ZINC000079069076 384483125 /nfs/dbraw/zinc/48/31/25/384483125.db2.gz JAPXJOLMPDLUOZ-VIFPVBQESA-N 0 0 238.287 2.399 10 0 BEAERN CCc1ccccc1CNC(=O)[C@H](C)COC ZINC000122595585 384495203 /nfs/dbraw/zinc/49/52/03/384495203.db2.gz NFSXIMMLHZLIAJ-LLVKDONJSA-N 0 0 235.327 2.148 10 0 BEAERN Cc1nc(-c2cccs2)nc(N)c1C ZINC000050847266 384495970 /nfs/dbraw/zinc/49/59/70/384495970.db2.gz JWIJXUUBNKMCTE-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN COC(=O)Cc1cc(C)cc(OC)c1C ZINC000575679219 384504203 /nfs/dbraw/zinc/50/42/03/384504203.db2.gz PACRUDSANLNRMD-UHFFFAOYSA-N 0 0 208.257 2.028 10 0 BEAERN CC(C)(C)CC[C@H](N)C(=O)OC(C)(C)C ZINC000136840126 384510772 /nfs/dbraw/zinc/51/07/72/384510772.db2.gz ZWLWKIMBIOMKAZ-VIFPVBQESA-N 0 0 215.337 2.482 10 0 BEAERN CC[C@H](CO)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000163720834 384487619 /nfs/dbraw/zinc/48/76/19/384487619.db2.gz FAROQOOSDWJLKR-QJPTWQEYSA-N 0 0 241.375 2.336 10 0 BEAERN CSCc1nc2sccc2c(N)n1 ZINC000050839147 384490473 /nfs/dbraw/zinc/49/04/73/384490473.db2.gz FNSPENOEAJISRB-UHFFFAOYSA-N 0 0 211.315 2.137 10 0 BEAERN CCS[C@H](C)c1noc(Cn2ccnc2)n1 ZINC000136339262 384491776 /nfs/dbraw/zinc/49/17/76/384491776.db2.gz NQUFZGZGASFVNM-MRVPVSSYSA-N 0 0 238.316 2.129 10 0 BEAERN CCC1CCC(NC(=O)C(C)(C)OC)CC1 ZINC000170959333 384534626 /nfs/dbraw/zinc/53/46/26/384534626.db2.gz WCJYMHYAGZFUIS-UHFFFAOYSA-N 0 0 227.348 2.496 10 0 BEAERN CCN(C)c1nc(Br)cs1 ZINC000044117835 384515046 /nfs/dbraw/zinc/51/50/46/384515046.db2.gz VSUKSFAJFPEVFA-UHFFFAOYSA-N 0 0 221.123 2.362 10 0 BEAERN CONC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000161721085 384519594 /nfs/dbraw/zinc/51/95/94/384519594.db2.gz YAOYUGVEFSUIHV-BXKDBHETSA-N 0 0 234.299 2.089 10 0 BEAERN Cc1csc([C@]2([NH3+])CCCSC2)n1 ZINC000061590693 384520556 /nfs/dbraw/zinc/52/05/56/384520556.db2.gz RFDHNWYZMZOFQE-VIFPVBQESA-N 0 0 214.359 2.133 10 0 BEAERN Cc1ccc(N)cc1Nc1ncccn1 ZINC000082655846 384520909 /nfs/dbraw/zinc/52/09/09/384520909.db2.gz ZTCBNVURBQXILL-UHFFFAOYSA-N 0 0 200.245 2.111 10 0 BEAERN CC(C)CNC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000489825354 384524499 /nfs/dbraw/zinc/52/44/99/384524499.db2.gz GCKZJHBQLYDXAO-NWDGAFQWSA-N 0 0 242.363 2.003 10 0 BEAERN N#Cc1c(Cl)ccnc1Br ZINC000144929756 384526990 /nfs/dbraw/zinc/52/69/90/384526990.db2.gz KQYPMSLGPZWRDU-UHFFFAOYSA-N 0 0 217.453 2.369 10 0 BEAERN C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151016353 384530963 /nfs/dbraw/zinc/53/09/63/384530963.db2.gz FRWJBNCCTCWJCI-MDZLAQPJSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@H](CC1CC1)NC(=O)N[C@@H]1CCCOCC1 ZINC000183578468 384541813 /nfs/dbraw/zinc/54/18/13/384541813.db2.gz IWDOGLOVNZYVHV-ZYHUDNBSSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1n[nH]c(C)c1CNc1cccc(F)n1 ZINC000123226055 384544403 /nfs/dbraw/zinc/54/44/03/384544403.db2.gz PVJQFVJYQVNAHP-UHFFFAOYSA-N 0 0 220.251 2.173 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)C(C2CC2)C2CC2)O1 ZINC000151159885 384545502 /nfs/dbraw/zinc/54/55/02/384545502.db2.gz DFSZLRPFOOCAGK-CABZTGNLSA-N 0 0 237.343 2.201 10 0 BEAERN CO[C@@H]1CC[C@H](NC(=O)N[C@H](C)CC2CC2)C1 ZINC000248808301 384551816 /nfs/dbraw/zinc/55/18/16/384551816.db2.gz WVEIMYBOFFPWPK-ADEWGFFLSA-N 0 0 240.347 2.042 10 0 BEAERN CO[C@H](C)CN(C(=O)OC(C)C)C(C)C ZINC000496089650 533075706 /nfs/dbraw/zinc/07/57/06/533075706.db2.gz CTSKVUSVKBOUGZ-SNVBAGLBSA-N 0 0 217.309 2.277 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(N(C)C)cc1F ZINC000123372280 384556430 /nfs/dbraw/zinc/55/64/30/384556430.db2.gz ILWUWTISTYTKHI-PRHODGIISA-N 0 0 236.290 2.030 10 0 BEAERN CCCC[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000020044374 384570454 /nfs/dbraw/zinc/57/04/54/384570454.db2.gz IHMAXYHGOUYQIS-UHFFFAOYSA-N 0 0 220.316 2.323 10 0 BEAERN CCOC(=O)C(=O)c1cc(C)ccc1Cl ZINC000258378043 384571611 /nfs/dbraw/zinc/57/16/11/384571611.db2.gz IFLGPJCSUYOPMR-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN Nc1ncnc2occ(-c3ccccc3)c21 ZINC000040537835 384574409 /nfs/dbraw/zinc/57/44/09/384574409.db2.gz QZEZNWUIKTXXHQ-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN Cn1ccnc1CN[C@H]1CCOc2ccccc21 ZINC000049856728 384576602 /nfs/dbraw/zinc/57/66/02/384576602.db2.gz ANWJUTFNSGVWTI-LBPRGKRZSA-N 0 0 243.310 2.034 10 0 BEAERN Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)nc1 ZINC000184233174 384583460 /nfs/dbraw/zinc/58/34/60/384583460.db2.gz UWJHBRFAGDMGJW-GHMZBOCLSA-N 0 0 249.314 2.079 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(Cc2c(F)cccc2F)C1 ZINC000334746186 384565518 /nfs/dbraw/zinc/56/55/18/384565518.db2.gz OSPICNSXRBJCEA-NXEZZACHSA-N 0 0 241.281 2.168 10 0 BEAERN COC(=O)c1nc2ccc(Cl)cc2n1C ZINC000098210135 384604304 /nfs/dbraw/zinc/60/43/04/384604304.db2.gz IMBXNGMHEHVMAH-UHFFFAOYSA-N 0 0 224.647 2.013 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1COc2cnccc21 ZINC000098209987 384604623 /nfs/dbraw/zinc/60/46/23/384604623.db2.gz OIZSFFWLQBTEKT-VIFPVBQESA-N 0 0 236.271 2.040 10 0 BEAERN COC[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000103355908 384607356 /nfs/dbraw/zinc/60/73/56/384607356.db2.gz LOQUNFBHKTZOOM-SNVBAGLBSA-N 0 0 213.321 2.060 10 0 BEAERN COC[C@@H](C)C(=O)NC1CCCCCC1 ZINC000103357388 384609393 /nfs/dbraw/zinc/60/93/93/384609393.db2.gz QVXOMGJHRZBDOT-SNVBAGLBSA-N 0 0 213.321 2.108 10 0 BEAERN CC(C)[C@@H]1CN(C(=O)N[C@H]2C[C@H]2C)CCS1 ZINC000176343911 384615224 /nfs/dbraw/zinc/61/52/24/384615224.db2.gz XWGPEHZZBJPMOS-VWYCJHECSA-N 0 0 242.388 2.178 10 0 BEAERN CC(C)[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2C)CCS1 ZINC000176343928 384616620 /nfs/dbraw/zinc/61/66/20/384616620.db2.gz XWGPEHZZBJPMOS-DCAQKATOSA-N 0 0 242.388 2.178 10 0 BEAERN COC(=O)C1=C(O)CCc2nc(Cl)sc21 ZINC000100177683 384621448 /nfs/dbraw/zinc/62/14/48/384621448.db2.gz ABMGWCPCWLAXBG-UHFFFAOYSA-N 0 0 245.687 2.185 10 0 BEAERN [NH3+]C[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000020579684 384624773 /nfs/dbraw/zinc/62/47/73/384624773.db2.gz KJCNFUSUQWTOIN-GFCCVEGCSA-N 0 0 229.279 2.042 10 0 BEAERN CC/N=c1/sc2c(n1CC)CCCC2 ZINC000100259633 384628583 /nfs/dbraw/zinc/62/85/83/384628583.db2.gz WSWMQKAZVKKCGS-VAWYXSNFSA-N 0 0 210.346 2.369 10 0 BEAERN Cc1occc1CN(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000150791423 384593841 /nfs/dbraw/zinc/59/38/41/384593841.db2.gz VPLAVQMYGHQZFR-JOYOIKCWSA-N 0 0 237.299 2.114 10 0 BEAERN CC(=O)N(c1ccccn1)c1cccc(C)n1 ZINC000098179203 384599388 /nfs/dbraw/zinc/59/93/88/384599388.db2.gz OCTLVQIHKXJEDV-UHFFFAOYSA-N 0 0 227.267 2.470 10 0 BEAERN COc1ccc(F)c(Br)c1CO ZINC000575689175 384632322 /nfs/dbraw/zinc/63/23/22/384632322.db2.gz RUHFMOCOMNYIGC-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN COC(=O)c1nc(Cl)cc(Cl)c1OC ZINC000098179692 384601173 /nfs/dbraw/zinc/60/11/73/384601173.db2.gz DNGIWUNNSSKCKK-UHFFFAOYSA-N 0 0 236.054 2.184 10 0 BEAERN COc1c(C)nc(Br)c(O)c1C ZINC000098179597 384601949 /nfs/dbraw/zinc/60/19/49/384601949.db2.gz MFXKEZYXDFMXCS-UHFFFAOYSA-N 0 0 232.077 2.175 10 0 BEAERN COC(=O)c1cc(O)c2ccc(OC)cc2c1 ZINC000082319718 384666090 /nfs/dbraw/zinc/66/60/90/384666090.db2.gz XXXVOHHINPTGCG-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN Cc1c(F)c(Br)ccc1CO ZINC000575689339 384634969 /nfs/dbraw/zinc/63/49/69/384634969.db2.gz DAVJWJTULKXIEU-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)C1CC1 ZINC000172969366 384640951 /nfs/dbraw/zinc/64/09/51/384640951.db2.gz YPXCYYSIARQZDK-LLVKDONJSA-N 0 0 233.311 2.118 10 0 BEAERN Nc1c([C@H]2CCCO2)cc2n1CCCC2 ZINC000100442594 384641843 /nfs/dbraw/zinc/64/18/43/384641843.db2.gz WYBUIJKFIMKNOI-LLVKDONJSA-N 0 0 206.289 2.258 10 0 BEAERN CC(C)(C)OC(=O)NCc1cccc2nccn21 ZINC000082034391 384644942 /nfs/dbraw/zinc/64/49/42/384644942.db2.gz CSSUUWBWNPZUMI-UHFFFAOYSA-N 0 0 247.298 2.359 10 0 BEAERN CNc1nc(-c2ccccc2)ncc1F ZINC000140320949 384647438 /nfs/dbraw/zinc/64/74/38/384647438.db2.gz BTTRSNGRLFMYFT-UHFFFAOYSA-N 0 0 203.220 2.324 10 0 BEAERN Cc1ccc([C@H](C)NCc2n[nH]cc2C)o1 ZINC000309833343 384653607 /nfs/dbraw/zinc/65/36/07/384653607.db2.gz ZFHLTJZGIKAUCI-JTQLQIEISA-N 0 0 219.288 2.470 10 0 BEAERN CC(C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000082275837 384656054 /nfs/dbraw/zinc/65/60/54/384656054.db2.gz HBFJUIUSEXBLSU-LLVKDONJSA-N 0 0 221.304 2.119 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2cncc(O)c2)o1 ZINC000104416620 384684676 /nfs/dbraw/zinc/68/46/76/384684676.db2.gz DKJISCUSYMEHIR-SECBINFHSA-N 0 0 246.266 2.180 10 0 BEAERN Cc1nc(NC2CC2)ncc1Br ZINC000258894511 384687863 /nfs/dbraw/zinc/68/78/63/384687863.db2.gz NPDKRJJNGZBDGL-UHFFFAOYSA-N 0 0 228.093 2.122 10 0 BEAERN Cn1cnc(-c2cccc(Br)c2)n1 ZINC000142274081 384693750 /nfs/dbraw/zinc/69/37/50/384693750.db2.gz KBEDYRBETKKHHO-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN Cc1cnc(CN2CCC[C@@H]2c2cnn(C)c2)o1 ZINC000173648130 384702977 /nfs/dbraw/zinc/70/29/77/384702977.db2.gz UMMJQKKCNSCSOX-GFCCVEGCSA-N 0 0 246.314 2.054 10 0 BEAERN COC(=O)c1ccc2c(c1)-c1nc(N)sc1C2 ZINC000051943268 384703659 /nfs/dbraw/zinc/70/36/59/384703659.db2.gz LWSOYOUVRQXOIT-UHFFFAOYSA-N 0 0 246.291 2.083 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000051990231 384707940 /nfs/dbraw/zinc/70/79/40/384707940.db2.gz IKIBZQQFLNTAHT-UONOGXRCSA-N 0 0 247.338 2.282 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000176765909 384775374 /nfs/dbraw/zinc/77/53/74/384775374.db2.gz PUNUWQHENBKVPS-YIYPIFLZSA-N 0 0 249.354 2.203 10 0 BEAERN CCc1cc(C(F)(F)F)cc(OC)c1C(N)=O ZINC000575703467 384775580 /nfs/dbraw/zinc/77/55/80/384775580.db2.gz MRAOTFRLPNLMDU-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1c(C)cc(SC)cc1C(N)=O ZINC000575703415 384775659 /nfs/dbraw/zinc/77/56/59/384775659.db2.gz LRUWHCJUPUKQAC-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN Nc1nc(C2CC2)ccc1Br ZINC000082965683 384730238 /nfs/dbraw/zinc/73/02/38/384730238.db2.gz NMTBWBYPBJGKMK-UHFFFAOYSA-N 0 0 213.078 2.304 10 0 BEAERN Cc1ccc(OCCN(C)C(=O)C(C)C)cc1 ZINC000052618821 384739916 /nfs/dbraw/zinc/73/99/16/384739916.db2.gz RUNYVHBPFUFDHZ-UHFFFAOYSA-N 0 0 235.327 2.488 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCC[C@H]1C)c1cn[nH]c1 ZINC000300395745 384750327 /nfs/dbraw/zinc/75/03/27/384750327.db2.gz HMOKUELOHFUXED-YWVKMMECSA-N 0 0 221.304 2.023 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H]2CC[C@H](C)O2)o1 ZINC000300398501 384753644 /nfs/dbraw/zinc/75/36/44/384753644.db2.gz KIDIVRBVKRXEKP-LSJOCFKGSA-N 0 0 224.304 2.201 10 0 BEAERN CCc1cc(OC)c(C(F)(F)F)c(C(N)=O)c1 ZINC000575702736 384759140 /nfs/dbraw/zinc/75/91/40/384759140.db2.gz IPRXOVKFXLUOSM-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN OCc1cc(C(F)(F)F)c(F)cc1O ZINC000575702921 384762005 /nfs/dbraw/zinc/76/20/05/384762005.db2.gz INPZQYNBANIKAG-UHFFFAOYSA-N 0 0 210.126 2.042 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000103373185 384764583 /nfs/dbraw/zinc/76/45/83/384764583.db2.gz HKSYFDZVXRTUHI-VHSXEESVSA-N 0 0 225.288 2.082 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(C)ccc1F ZINC000103357828 384765151 /nfs/dbraw/zinc/76/51/51/384765151.db2.gz MHCYOOJYGNAECH-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1cc(F)ccc1F ZINC000103389708 384768108 /nfs/dbraw/zinc/76/81/08/384768108.db2.gz HIXSURJPWWQDSH-QMMMGPOBSA-N 0 0 243.253 2.210 10 0 BEAERN COCc1ccccc1NC(=O)[C@@H](C)COC ZINC000103380188 384768872 /nfs/dbraw/zinc/76/88/72/384768872.db2.gz QLHVNTXSJPBOBM-JTQLQIEISA-N 0 0 237.299 2.054 10 0 BEAERN CC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000145180151 384768882 /nfs/dbraw/zinc/76/88/82/384768882.db2.gz CKCNYQURFFYZRU-SNVBAGLBSA-N 0 0 208.257 2.134 10 0 BEAERN Brc1nc(-c2cncnc2)cs1 ZINC000072204711 384819425 /nfs/dbraw/zinc/81/94/25/384819425.db2.gz DIHWSYYAVUQWTI-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN COc1cc(C=O)c(F)cc1SC ZINC000575708693 384819342 /nfs/dbraw/zinc/81/93/42/384819342.db2.gz VFCITWXGPLOZST-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN C[C@@H]1C[C@@H]1N[C@H](c1ncc[nH]1)c1ccccc1 ZINC000126700891 384821577 /nfs/dbraw/zinc/82/15/77/384821577.db2.gz DXJFHFDSRCJULC-WXHSDQCUSA-N 0 0 227.311 2.497 10 0 BEAERN CCN(CC1CC1)C(=O)c1cnn2c1CCCC2 ZINC000126803368 384830046 /nfs/dbraw/zinc/83/00/46/384830046.db2.gz RWVXZXUPGRIVRG-UHFFFAOYSA-N 0 0 247.342 2.092 10 0 BEAERN Cc1cc(N)cnc1NC(=O)OC(C)(C)C ZINC000156230548 384835484 /nfs/dbraw/zinc/83/54/84/384835484.db2.gz XEVGWAIMLFOFGU-UHFFFAOYSA-N 0 0 223.276 2.319 10 0 BEAERN CCc1ccc(C)c(SC)c1C(N)=O ZINC000575704055 384784342 /nfs/dbraw/zinc/78/43/42/384784342.db2.gz QIPWVZVLYXJOOA-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN Cc1ccc(NC(=O)c2ccc(N)cc2)cn1 ZINC000164531366 384786871 /nfs/dbraw/zinc/78/68/71/384786871.db2.gz GRZWTEIWOAMOHG-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN CCc1c(OC)ccc(C(F)(F)F)c1C(N)=O ZINC000575704634 384786952 /nfs/dbraw/zinc/78/69/52/384786952.db2.gz YGJIYQFESCHGLT-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cnccn1 ZINC000103056947 384788222 /nfs/dbraw/zinc/78/82/22/384788222.db2.gz YVJYJDIAZBWSRL-VXGBXAGGSA-N 0 0 247.342 2.421 10 0 BEAERN CC(C)C(=O)CNC(=O)N(C)Cc1ccccc1 ZINC000185927233 384791178 /nfs/dbraw/zinc/79/11/78/384791178.db2.gz MGDHNHGVTFPWRO-UHFFFAOYSA-N 0 0 248.326 2.053 10 0 BEAERN C[C@H]1CN(c2ccnc(Cl)c2)C[C@H](C)O1 ZINC000223582557 384791268 /nfs/dbraw/zinc/79/12/68/384791268.db2.gz ZBUKKTPFSDDMFI-IUCAKERBSA-N 0 0 226.707 2.349 10 0 BEAERN O=C(c1cncc(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000336223641 384793348 /nfs/dbraw/zinc/79/33/48/384793348.db2.gz OGACFCRBPAKVBE-LDYMZIIASA-N 0 0 236.702 2.360 10 0 BEAERN CCn1ccnc1CS[C@@H](C)C(C)=O ZINC000176974746 384836423 /nfs/dbraw/zinc/83/64/23/384836423.db2.gz HNWHEZJZQAXKDA-VIFPVBQESA-N 0 0 212.318 2.114 10 0 BEAERN CCONC(=O)Cc1coc2cc(OC)ccc12 ZINC000023422264 384797991 /nfs/dbraw/zinc/79/79/91/384797991.db2.gz ICZGCLAVPITCEH-UHFFFAOYSA-N 0 0 249.266 2.052 10 0 BEAERN Cc1ccc(CNC(=O)OC(C)C)nc1C ZINC000314096874 384800866 /nfs/dbraw/zinc/80/08/66/384800866.db2.gz BDOLXBGUYJLIBN-UHFFFAOYSA-N 0 0 222.288 2.333 10 0 BEAERN Clc1nc(Cl)nc(-c2ccoc2)n1 ZINC000072193572 384810158 /nfs/dbraw/zinc/81/01/58/384810158.db2.gz WMHNWZGCCRFCLM-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN Cc1cn(-c2ccc(Br)nc2)cn1 ZINC000072193001 384812050 /nfs/dbraw/zinc/81/20/50/384812050.db2.gz KIJYXWZGZYNDSH-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN COc1cc(F)cc(CO)c1SC ZINC000575708290 384813611 /nfs/dbraw/zinc/81/36/11/384813611.db2.gz PDUYZACVFZTAFA-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN C[C@@H]1OCC[C@H]1SC[C@H](O)C(C)(C)C ZINC000308570755 384814439 /nfs/dbraw/zinc/81/44/39/384814439.db2.gz DYNBCEVSKLULKZ-AEJSXWLSSA-N 0 0 218.362 2.304 10 0 BEAERN O[C@H]1CSC[C@@H]1CCC(F)(F)F ZINC000156226843 384874068 /nfs/dbraw/zinc/87/40/68/384874068.db2.gz YDMDNCAXBUQSDX-WDSKDSINSA-N 0 0 200.225 2.053 10 0 BEAERN C[C@@H](O)C(C)(C)Nc1cnc2ccccc2n1 ZINC000127236438 384877543 /nfs/dbraw/zinc/87/75/43/384877543.db2.gz JZEUMEYOOXPELH-SECBINFHSA-N 0 0 231.299 2.201 10 0 BEAERN Cc1ncc(CN2[C@@H](C)COC[C@@H]2C)s1 ZINC000077370519 384880436 /nfs/dbraw/zinc/88/04/36/384880436.db2.gz GWYMAQHENXDJBQ-IUCAKERBSA-N 0 0 226.345 2.061 10 0 BEAERN CCS[C@@H]1CC[C@@]1(O)CNc1ccccn1 ZINC000301495521 384880568 /nfs/dbraw/zinc/88/05/68/384880568.db2.gz SRFCDNNRAYOGCQ-ZYHUDNBSSA-N 0 0 238.356 2.140 10 0 BEAERN CC(=O)c1cc(N)cc(C)c1OC(F)F ZINC000575717201 384881692 /nfs/dbraw/zinc/88/16/92/384881692.db2.gz MXXFHMLHCGZDBB-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(C)(C)OC(=O)[C@](C)(F)Br ZINC000072265755 384887098 /nfs/dbraw/zinc/88/70/98/384887098.db2.gz ALFMZDRSSWPMRR-ZETCQYMHSA-N 0 0 227.073 2.409 10 0 BEAERN Cc1cc(C(=O)N(C)[C@@H](C)CO)ccc1Cl ZINC000126903768 384840701 /nfs/dbraw/zinc/84/07/01/384840701.db2.gz NTSNBOREZRJLCX-VIFPVBQESA-N 0 0 241.718 2.101 10 0 BEAERN CC(C)c1nnc(COc2cccc(N)c2)[nH]1 ZINC000072236681 384841553 /nfs/dbraw/zinc/84/15/53/384841553.db2.gz NHKGCCLQKWGLBP-UHFFFAOYSA-N 0 0 232.287 2.089 10 0 BEAERN CC(C)Cc1nnc(COc2cccc(N)c2)[nH]1 ZINC000072236704 384841665 /nfs/dbraw/zinc/84/16/65/384841665.db2.gz KSEMQMVINOOSDY-UHFFFAOYSA-N 0 0 246.314 2.164 10 0 BEAERN Cc1cc(-c2nnc([C@H]3CCCO3)[nH]2)ccc1N ZINC000072236748 384844310 /nfs/dbraw/zinc/84/43/10/384844310.db2.gz UWXWXMPYROWMNC-LLVKDONJSA-N 0 0 244.298 2.214 10 0 BEAERN Nc1ccc(O)c(-c2nc(-c3ccco3)n[nH]2)c1 ZINC000072237579 384844990 /nfs/dbraw/zinc/84/49/90/384844990.db2.gz XGIULZCSSSJVLD-UHFFFAOYSA-N 0 0 242.238 2.020 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000103356106 384857035 /nfs/dbraw/zinc/85/70/35/384857035.db2.gz AOGQIBZBQKCTSG-JTQLQIEISA-N 0 0 207.273 2.216 10 0 BEAERN CC(=O)c1c(O)cc(N)cc1C(F)(F)F ZINC000575719106 384889462 /nfs/dbraw/zinc/88/94/62/384889462.db2.gz OOBCKRLOZGIBHV-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CSc1ccc(NC[C@@H](O)C(C)(C)C)nn1 ZINC000301269251 384867316 /nfs/dbraw/zinc/86/73/16/384867316.db2.gz NAZWNVGCTJWCHT-MRVPVSSYSA-N 0 0 241.360 2.017 10 0 BEAERN ClC(Cl)(Cl)CCN1CCCOCC1 ZINC000306451720 384960536 /nfs/dbraw/zinc/96/05/36/384960536.db2.gz LVDJTBKCHDUNIE-UHFFFAOYSA-N 0 0 246.565 2.469 10 0 BEAERN C[C@H](O)C(C)(C)Nc1ccc(C(F)(F)F)nn1 ZINC000127834015 384952385 /nfs/dbraw/zinc/95/23/85/384952385.db2.gz FQELNMFOWFKITP-LURJTMIESA-N 0 0 249.236 2.067 10 0 BEAERN CC(C)Cn1ncc(C=O)c1Br ZINC000259005573 384955564 /nfs/dbraw/zinc/95/55/64/384955564.db2.gz UKLIZMXABFYADL-UHFFFAOYSA-N 0 0 231.093 2.114 10 0 BEAERN Nc1ccc(N)c(OC(F)F)c1Cl ZINC000575720684 384893500 /nfs/dbraw/zinc/89/35/00/384893500.db2.gz PJWYONNDECYVET-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)c(N)cc1O ZINC000575719704 384894177 /nfs/dbraw/zinc/89/41/77/384894177.db2.gz ZFAACIZBJRKLOA-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Brc1noc([C@H]2CCCCO2)n1 ZINC000156573057 384896853 /nfs/dbraw/zinc/89/68/53/384896853.db2.gz IIPSMEUXGXOVHX-RXMQYKEDSA-N 0 0 233.065 2.074 10 0 BEAERN CN1CCN(c2cc(Cl)cc(Cl)n2)CC1 ZINC000148694998 384898534 /nfs/dbraw/zinc/89/85/34/384898534.db2.gz QEYSKBJNFKVQBY-UHFFFAOYSA-N 0 0 246.141 2.140 10 0 BEAERN Nc1c(O)c(OC(F)F)ccc1Cl ZINC000575722602 384901294 /nfs/dbraw/zinc/90/12/94/384901294.db2.gz QMQCRSJTXSEIPI-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOC(=O)c1cc(N)c(OCC)cc1C ZINC000575723730 384901436 /nfs/dbraw/zinc/90/14/36/384901436.db2.gz DSIFFAQNDOFLJS-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN Nc1cc(Cl)cc(OC(F)F)c1O ZINC000575722508 384901552 /nfs/dbraw/zinc/90/15/52/384901552.db2.gz NIPCCWIJWBDDFK-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(OC(F)F)c(N)c(C(F)(F)F)c1 ZINC000575722591 384902357 /nfs/dbraw/zinc/90/23/57/384902357.db2.gz HFPAWZBITMFUIT-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN CCCc1nnc(N[C@@H](C)CCOC)s1 ZINC000301644068 384903917 /nfs/dbraw/zinc/90/39/17/384903917.db2.gz CJCZYLKSQUPWEB-QMMMGPOBSA-N 0 0 229.349 2.328 10 0 BEAERN CCCc1nnc(NC2CCC(O)CC2)s1 ZINC000301646768 384905437 /nfs/dbraw/zinc/90/54/37/384905437.db2.gz DOAXLKRESVLXCP-UHFFFAOYSA-N 0 0 241.360 2.206 10 0 BEAERN CCCc1nnc(NC[C@H](O)[C@@H](C)CC)s1 ZINC000301676358 384907434 /nfs/dbraw/zinc/90/74/34/384907434.db2.gz QPFXWWATCDOGIX-IUCAKERBSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1cc(C)c(CC)cc1N ZINC000575724251 384907951 /nfs/dbraw/zinc/90/79/51/384907951.db2.gz BXLGWUPBHIBLKP-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CCCc1nnc(NCc2ccccn2)s1 ZINC000301669130 384908341 /nfs/dbraw/zinc/90/83/41/384908341.db2.gz NNPSIEPXTZMKND-UHFFFAOYSA-N 0 0 234.328 2.498 10 0 BEAERN COc1ccc(O)c(N)c1C(F)(F)F ZINC000575727395 384913730 /nfs/dbraw/zinc/91/37/30/384913730.db2.gz DEJIFTLHYQGXQI-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1cscc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000175522596 384919991 /nfs/dbraw/zinc/91/99/91/384919991.db2.gz ZDUMDLYVTZVXMF-GXSJLCMTSA-N 0 0 239.340 2.354 10 0 BEAERN Cc1cccc([C@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894850 384922294 /nfs/dbraw/zinc/92/22/94/384922294.db2.gz AGUNTZZCAUCUHG-CQSZACIVSA-N 0 0 216.328 2.104 10 0 BEAERN CC(=O)c1csc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000106769670 384930797 /nfs/dbraw/zinc/93/07/97/384930797.db2.gz BWMDWZHKBYBMOE-MUWHJKNJSA-N 0 0 223.297 2.089 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2cc(C)ncn2)C1 ZINC000301761979 384931884 /nfs/dbraw/zinc/93/18/84/384931884.db2.gz GITLNZSHRLYLEF-MNOVXSKESA-N 0 0 221.304 2.155 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nnc(C(C)(C)C)s1 ZINC000301853238 384934644 /nfs/dbraw/zinc/93/46/44/384934644.db2.gz AEEXSXZEESOFEV-SFYZADRCSA-N 0 0 241.360 2.425 10 0 BEAERN Nc1cccc2c1CCN[C@@H]2C(F)(F)F ZINC000057219170 384936409 /nfs/dbraw/zinc/93/64/09/384936409.db2.gz PUSXLLMFSROTFL-VIFPVBQESA-N 0 0 216.206 2.018 10 0 BEAERN O=Cc1cnc2nc(N3CCCCCC3)oc2c1 ZINC000085347924 384939623 /nfs/dbraw/zinc/93/96/23/384939623.db2.gz MNTUOHFWAJCRAQ-UHFFFAOYSA-N 0 0 245.282 2.416 10 0 BEAERN CN(C)c1nccnc1NCC1(C)CCC1 ZINC000302195052 384979065 /nfs/dbraw/zinc/97/90/65/384979065.db2.gz NZXVBSUUTSQCIP-UHFFFAOYSA-N 0 0 220.320 2.145 10 0 BEAERN Cc1cnc([C@H](C)NCc2conc2C)o1 ZINC000339394169 384988623 /nfs/dbraw/zinc/98/86/23/384988623.db2.gz PVKCXRNRDPPMTI-VIFPVBQESA-N 0 0 221.260 2.130 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000644580431 384988813 /nfs/dbraw/zinc/98/88/13/384988813.db2.gz KJBDFBVRMFWHDG-VOAKCMCISA-N 0 0 239.359 2.232 10 0 BEAERN Cc1csc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000293573606 384997582 /nfs/dbraw/zinc/99/75/82/384997582.db2.gz ANCDPCVHLCSRBM-NXEZZACHSA-N 0 0 239.340 2.306 10 0 BEAERN C[C@H](C[C@@H]1CCCO1)Nc1ncncc1Cl ZINC000302627819 385002724 /nfs/dbraw/zinc/00/27/24/385002724.db2.gz INLMYVMKAXMIJW-BDAKNGLRSA-N 0 0 241.722 2.500 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1cc(C)c(C)nn1 ZINC000302821336 385008892 /nfs/dbraw/zinc/00/88/92/385008892.db2.gz QHWXTOXZRCJUHW-WDEREUQCSA-N 0 0 221.304 2.073 10 0 BEAERN COC(=O)CCC(=O)c1sccc1C ZINC000259289568 385011126 /nfs/dbraw/zinc/01/11/26/385011126.db2.gz VLNJPAPKWCFCQO-UHFFFAOYSA-N 0 0 212.270 2.192 10 0 BEAERN CC(C)c1nsc(N[C@H](C)[C@H](C)CO)n1 ZINC000129611537 385011413 /nfs/dbraw/zinc/01/14/13/385011413.db2.gz VTSZMMFYHVVVIX-HTQZYQBOSA-N 0 0 229.349 2.090 10 0 BEAERN CCOCC[S@](=O)c1ccc(F)c(F)c1 ZINC000108031275 385015651 /nfs/dbraw/zinc/01/56/51/385015651.db2.gz QETLCJNAJXCCQD-OAHLLOKOSA-N 0 0 234.267 2.109 10 0 BEAERN CO[C@@H]1CC[C@@H](Nc2cc(C)c(C)nn2)C1 ZINC000302778130 385017115 /nfs/dbraw/zinc/01/71/15/385017115.db2.gz PVCNTQDYILHQKY-GHMZBOCLSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cscc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000086816084 385049301 /nfs/dbraw/zinc/04/93/01/385049301.db2.gz IAFTXJQCCWACIO-WDEREUQCSA-N 0 0 239.340 2.090 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C1(C)CCCCC1 ZINC000336233911 385074168 /nfs/dbraw/zinc/07/41/68/385074168.db2.gz ZFJQMHBFDFVUJU-NWDGAFQWSA-N 0 0 239.359 2.329 10 0 BEAERN CSc1cncc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000131318331 385081990 /nfs/dbraw/zinc/08/19/90/385081990.db2.gz ZRDJJJFYQBWDGE-BDAKNGLRSA-N 0 0 239.344 2.178 10 0 BEAERN CNc1nc(CSc2ccccc2)cc(=O)[nH]1 ZINC000058824032 385025251 /nfs/dbraw/zinc/02/52/51/385025251.db2.gz KESNIXKZYPEIOW-UHFFFAOYSA-N 0 0 247.323 2.104 10 0 BEAERN Cc1nc(-c2cccc3c2ccn3C)n[nH]1 ZINC000058827454 385027754 /nfs/dbraw/zinc/02/77/54/385027754.db2.gz SJBBZFJJYIZIRJ-UHFFFAOYSA-N 0 0 212.256 2.272 10 0 BEAERN CC(=O)c1ccc(O)c(CCC(C)(C)O)c1 ZINC000014489194 385029472 /nfs/dbraw/zinc/02/94/72/385029472.db2.gz STDDZNFKTJFVDP-UHFFFAOYSA-N 0 0 222.284 2.298 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)CCc1ccccc1 ZINC000058965295 385036944 /nfs/dbraw/zinc/03/69/44/385036944.db2.gz RNCHUOSZCLNZEZ-AWEZNQCLSA-N 0 0 247.338 2.257 10 0 BEAERN Cc1ccc([C@@H](C)N[C@H]2CCCn3ncnc32)o1 ZINC000164797859 385040374 /nfs/dbraw/zinc/04/03/74/385040374.db2.gz VGTYKOPVUQWTGB-MNOVXSKESA-N 0 0 246.314 2.365 10 0 BEAERN CC1(C)C[C@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000061519055 385117540 /nfs/dbraw/zinc/11/75/40/385117540.db2.gz AUOZWQPGLIAHIW-SCSAIBSYSA-N 0 0 233.102 2.389 10 0 BEAERN Clc1nc(Cl)nc(NC2CCC2)n1 ZINC000061519200 385119078 /nfs/dbraw/zinc/11/90/78/385119078.db2.gz FOHMICLOGACUFC-UHFFFAOYSA-N 0 0 219.075 2.143 10 0 BEAERN FC1(F)CC(c2nc(C3CCOCC3)no2)C1 ZINC000336345147 385141881 /nfs/dbraw/zinc/14/18/81/385141881.db2.gz PCGLQROJMKQIRK-UHFFFAOYSA-N 0 0 244.241 2.476 10 0 BEAERN COc1cc(F)c2c(c1OC)C(=O)CCC2 ZINC000061563232 385121726 /nfs/dbraw/zinc/12/17/26/385121726.db2.gz UVWCXSFRGNXNGL-UHFFFAOYSA-N 0 0 224.231 2.362 10 0 BEAERN CC(=O)c1ccc(OCC(=O)C2CC2)c(F)c1 ZINC000109200337 385142328 /nfs/dbraw/zinc/14/23/28/385142328.db2.gz BRWUCJXCLAIGDO-UHFFFAOYSA-N 0 0 236.242 2.386 10 0 BEAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000176685216 385135605 /nfs/dbraw/zinc/13/56/05/385135605.db2.gz JSAPVOKQVKNGMO-YPMHNXCESA-N 0 0 242.326 2.464 10 0 BEAERN O=C(C=C1CCC1)N[C@@H]1COc2ccccc21 ZINC000129311913 385136217 /nfs/dbraw/zinc/13/62/17/385136217.db2.gz BQWRNNPTMIHHSB-GFCCVEGCSA-N 0 0 229.279 2.347 10 0 BEAERN CCCc1cc(NC(=O)C2(C)CC2)n[nH]1 ZINC000119424007 385094745 /nfs/dbraw/zinc/09/47/45/385094745.db2.gz YMVJMUCGLCWWOA-UHFFFAOYSA-N 0 0 207.277 2.101 10 0 BEAERN CC(C)c1n[nH]cc1C(=O)N[C@@H](C)C(C)C ZINC000188844470 385098786 /nfs/dbraw/zinc/09/87/86/385098786.db2.gz OZVXLUOUGIPSCV-VIFPVBQESA-N 0 0 223.320 2.307 10 0 BEAERN COC(=O)C[C@H](C)SC[C@@H](O)C(C)(C)C ZINC000308788288 385106023 /nfs/dbraw/zinc/10/60/23/385106023.db2.gz HGJZBPBKIUFYSI-DTWKUNHWSA-N 0 0 234.361 2.078 10 0 BEAERN CCCn1c(C)cnc1C[C@@H]1CCN(C(C)=O)C1 ZINC000257176720 385185074 /nfs/dbraw/zinc/18/50/74/385185074.db2.gz DALKSISEVYUOHF-ZDUSSCGKSA-N 0 0 249.358 2.012 10 0 BEAERN Cc1ccc(N(C)C[C@H](O)C(F)(F)F)cc1 ZINC000109706831 385185979 /nfs/dbraw/zinc/18/59/79/385185979.db2.gz VACPOSSVXYSVGV-JTQLQIEISA-N 0 0 233.233 2.354 10 0 BEAERN C[C@H](C(=O)OCc1cncs1)c1cccnc1 ZINC000129889326 385196839 /nfs/dbraw/zinc/19/68/39/385196839.db2.gz ZXTYASBTDSMETI-VIFPVBQESA-N 0 0 248.307 2.385 10 0 BEAERN COC[C@@H](C)C(=O)NCC(C)(C)C(C)C ZINC000189447501 385153873 /nfs/dbraw/zinc/15/38/73/385153873.db2.gz BCTQPTJFSKYURS-SNVBAGLBSA-N 0 0 215.337 2.067 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1O ZINC000189400191 385154163 /nfs/dbraw/zinc/15/41/63/385154163.db2.gz DWAZNUPXGWNMLS-PWSUYJOCSA-N 0 0 249.310 2.454 10 0 BEAERN COC[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109532728 385173907 /nfs/dbraw/zinc/17/39/07/385173907.db2.gz XLOJZVHAXGILOH-SECBINFHSA-N 0 0 248.282 2.495 10 0 BEAERN Cc1ccc(C=O)c(-c2ccnn2C)c1 ZINC000129710063 385177067 /nfs/dbraw/zinc/17/70/67/385177067.db2.gz YPTZSPXAIZWFIE-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN O=C1CCOc2c(Br)cccc2N1 ZINC000062533539 385209050 /nfs/dbraw/zinc/20/90/50/385209050.db2.gz VSDKRBILJNJWHR-UHFFFAOYSA-N 0 0 242.072 2.170 10 0 BEAERN Cc1cc(CN(C)c2ccnc(C3CC3)n2)no1 ZINC000110129094 385214167 /nfs/dbraw/zinc/21/41/67/385214167.db2.gz RGJIYNWJDBECKC-UHFFFAOYSA-N 0 0 244.298 2.287 10 0 BEAERN CC[C@@H](COC)N[C@H](C)c1ncc(C)o1 ZINC000230095799 385217444 /nfs/dbraw/zinc/21/74/44/385217444.db2.gz AAZAVLRHLMMGMJ-ZJUUUORDSA-N 0 0 212.293 2.059 10 0 BEAERN O=C([O-])[C@H]1CCC[C@@H]1[NH+]1CCCCCC1 ZINC000062750323 385231984 /nfs/dbraw/zinc/23/19/84/385231984.db2.gz AAHQIJOTSMDMSQ-QWRGUYRKSA-N 0 0 211.305 2.116 10 0 BEAERN CCCc1ccc(CSC[C@H](O)CO)cc1 ZINC000177427386 385237976 /nfs/dbraw/zinc/23/79/76/385237976.db2.gz LMSDWBRHMVTZFQ-CYBMUJFWSA-N 0 0 240.368 2.226 10 0 BEAERN Cc1cccc([C@H](C)SC[C@H](O)CO)c1 ZINC000177427962 385238141 /nfs/dbraw/zinc/23/81/41/385238141.db2.gz SFKFALLPMWABEG-CMPLNLGQSA-N 0 0 226.341 2.142 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190477680 385242919 /nfs/dbraw/zinc/24/29/19/385242919.db2.gz JWMKIUKZWCRYSJ-TZMCWYRMSA-N 0 0 247.338 2.426 10 0 BEAERN FC(F)(F)[C@H]1CCCN[C@@H]1C(F)(F)F ZINC000307479864 385251219 /nfs/dbraw/zinc/25/12/19/385251219.db2.gz JWKCJWXTADEJAD-WHFBIAKZSA-N 0 0 221.144 2.479 10 0 BEAERN Cn1cccc1C(=O)NCCC1=CCCC1 ZINC000131143604 385314430 /nfs/dbraw/zinc/31/44/30/385314430.db2.gz DNJWWFMJYHXVHO-UHFFFAOYSA-N 0 0 218.300 2.255 10 0 BEAERN C/C=C(\CC)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000191711762 385320036 /nfs/dbraw/zinc/32/00/36/385320036.db2.gz TUKWUQSXRBEDOQ-KBVBDRTLSA-N 0 0 247.342 2.092 10 0 BEAERN Nc1ccc(C([O-])=C2CCCCC2=O)cc1 ZINC000238634207 385261334 /nfs/dbraw/zinc/26/13/34/385261334.db2.gz ANWZGMTWCOJSFA-NSHDSACASA-N 0 0 217.268 2.211 10 0 BEAERN CCOC(OCC)c1cnn(C(F)F)c1 ZINC000575601551 385266219 /nfs/dbraw/zinc/26/62/19/385266219.db2.gz HZWQKTKUDOLKOZ-UHFFFAOYSA-N 0 0 220.219 2.350 10 0 BEAERN Cc1ccccc1OC[C@@H](O)COC(C)C ZINC000033852172 385270049 /nfs/dbraw/zinc/27/00/49/385270049.db2.gz LCTSOABYLNTYGL-LBPRGKRZSA-N 0 0 224.300 2.160 10 0 BEAERN Cc1ccc(F)cc1NC(=O)C[C@@H](O)C(C)C ZINC000153834650 385284885 /nfs/dbraw/zinc/28/48/85/385284885.db2.gz HYAQOAXWFIEGRZ-GFCCVEGCSA-N 0 0 239.290 2.480 10 0 BEAERN F[C@@H]1CN[C@H](c2nc(C3CCCCC3)no2)C1 ZINC000409424400 385331922 /nfs/dbraw/zinc/33/19/22/385331922.db2.gz UXZPWHXQNJJHSY-UWVGGRQHSA-N 0 0 239.294 2.490 10 0 BEAERN c1nc(CN2CCCC[C@H]2c2cn[nH]c2)co1 ZINC000191943413 385334952 /nfs/dbraw/zinc/33/49/52/385334952.db2.gz ORXYZMNDFLRQPR-LBPRGKRZSA-N 0 0 232.287 2.125 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(C)c(F)c1 ZINC000193247765 385388861 /nfs/dbraw/zinc/38/88/61/385388861.db2.gz GWHZQKJPOJEQOI-SECBINFHSA-N 0 0 226.247 2.322 10 0 BEAERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)c(C)n1 ZINC000178971890 385354079 /nfs/dbraw/zinc/35/40/79/385354079.db2.gz QGEDEUMVFSBLOP-LBPRGKRZSA-N 0 0 236.315 2.044 10 0 BEAERN C[C@@H](C(=O)N[C@@H]1COc2ccccc21)C1CC1 ZINC000178459399 385376340 /nfs/dbraw/zinc/37/63/40/385376340.db2.gz VJMPROLGQIFVKS-BXKDBHETSA-N 0 0 231.295 2.282 10 0 BEAERN COc1c(CNc2cnccc2C)c(C)nn1C ZINC000169059607 385404782 /nfs/dbraw/zinc/40/47/82/385404782.db2.gz SMMUPPIUHQMBSI-UHFFFAOYSA-N 0 0 246.314 2.053 10 0 BEAERN O[C@H]1CSC[C@H]1CCC(F)(F)F ZINC000156226968 385442699 /nfs/dbraw/zinc/44/26/99/385442699.db2.gz YDMDNCAXBUQSDX-RITPCOANSA-N 0 0 200.225 2.053 10 0 BEAERN COC(=O)c1cccc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000170793465 385446586 /nfs/dbraw/zinc/44/65/86/385446586.db2.gz UKRHMDQOJKKBGL-KCJUWKMLSA-N 0 0 248.282 2.003 10 0 BEAERN CCOc1cccc(CNC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000170807189 385448047 /nfs/dbraw/zinc/44/80/47/385448047.db2.gz MMPCERSGYNBITP-GXFFZTMASA-N 0 0 248.326 2.293 10 0 BEAERN Cc1occc1CN(C)C(=O)N[C@H]1C[C@@H]1C ZINC000170882850 385453727 /nfs/dbraw/zinc/45/37/27/385453727.db2.gz CDKWJYKWCVCQKS-KWQFWETISA-N 0 0 222.288 2.138 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(Cl)nn1 ZINC000295135275 385456321 /nfs/dbraw/zinc/45/63/21/385456321.db2.gz ILQNOEQWMXWHRS-APPZFPTMSA-N 0 0 239.706 2.048 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)CCc1ccncc1 ZINC000170673440 385437851 /nfs/dbraw/zinc/43/78/51/385437851.db2.gz UIDXSJVMBCZPAC-LBPRGKRZSA-N 0 0 249.358 2.310 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCOC2)o1 ZINC000171030454 385464948 /nfs/dbraw/zinc/46/49/48/385464948.db2.gz BYGAZWZXKZMICX-WDEREUQCSA-N 0 0 237.299 2.192 10 0 BEAERN Cc1cc(Br)cn(C(F)F)c1=O ZINC000156958045 385475540 /nfs/dbraw/zinc/47/55/40/385475540.db2.gz QHASDTVBBDEWKZ-UHFFFAOYSA-N 0 0 238.031 2.314 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000171429610 385484773 /nfs/dbraw/zinc/48/47/73/385484773.db2.gz BTGMODMEJDSZJO-RKDXNWHRSA-N 0 0 227.329 2.208 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000171430711 385485514 /nfs/dbraw/zinc/48/55/14/385485514.db2.gz IVWNKUQETLRFBW-RYUDHWBXSA-N 0 0 235.327 2.489 10 0 BEAERN COC[C@@H](C)C(=O)N(C)CCCc1ccccc1 ZINC000171450573 385487298 /nfs/dbraw/zinc/48/72/98/385487298.db2.gz GYECRUAYCVYOQC-CYBMUJFWSA-N 0 0 249.354 2.360 10 0 BEAERN Cc1nc(Cl)cc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000052836192 385498222 /nfs/dbraw/zinc/49/82/22/385498222.db2.gz QWZOZVDVBODUKR-IONNQARKSA-N 0 0 241.722 2.418 10 0 BEAERN CN(CC1CCC1)C(=O)NCc1cscn1 ZINC000111482866 385534956 /nfs/dbraw/zinc/53/49/56/385534956.db2.gz FSOSYVYOJCZYRA-UHFFFAOYSA-N 0 0 239.344 2.085 10 0 BEAERN Cc1cnn([C@H]2CCCN(Cc3ccon3)C2)c1 ZINC000158002057 385542934 /nfs/dbraw/zinc/54/29/34/385542934.db2.gz HGERGNINTFXAIN-ZDUSSCGKSA-N 0 0 246.314 2.017 10 0 BEAERN Cc1nnc(NC[C@@H]2CCO[C@@H]2C(C)C)s1 ZINC000309347681 385546116 /nfs/dbraw/zinc/54/61/16/385546116.db2.gz MBDZBHQFVKNRAY-VHSXEESVSA-N 0 0 241.360 2.320 10 0 BEAERN c1cncc(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000172075623 385546508 /nfs/dbraw/zinc/54/65/08/385546508.db2.gz FMSIOIARHLEVPE-GJZGRUSLSA-N 0 0 246.354 2.268 10 0 BEAERN CC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181243784 385567534 /nfs/dbraw/zinc/56/75/34/385567534.db2.gz RMCPIYTXVLXFTI-TVQRCGJNSA-N 0 0 203.285 2.364 10 0 BEAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)[C@H](C)C2 ZINC000181333606 385570935 /nfs/dbraw/zinc/57/09/35/385570935.db2.gz LMONNGPYPYXIFK-ZWNOBZJWSA-N 0 0 232.327 2.500 10 0 BEAERN COC(=O)Cc1nc2cc(OC)ccc2s1 ZINC000259549185 385578505 /nfs/dbraw/zinc/57/85/05/385578505.db2.gz DOFSFVSIKQUUOA-UHFFFAOYSA-N 0 0 237.280 2.020 10 0 BEAERN CCOC(=O)Cc1c(O)ccc(OC)c1Cl ZINC000259880036 385586284 /nfs/dbraw/zinc/58/62/84/385586284.db2.gz CBAZINWBYNSVRW-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CC(C)[C@@H](N)c1nc(Cc2ccc(F)cc2)no1 ZINC000036925440 385587641 /nfs/dbraw/zinc/58/76/41/385587641.db2.gz XEZFWRLCISXFBG-GFCCVEGCSA-N 0 0 249.289 2.455 10 0 BEAERN Cc1nn(Cc2ccsc2)c(C)c1N ZINC000036866829 385589058 /nfs/dbraw/zinc/58/90/58/385589058.db2.gz VBJFKFYPXHSRTK-UHFFFAOYSA-N 0 0 207.302 2.192 10 0 BEAERN Cc1nscc1C(=O)N1CCS[C@@H](C)C1 ZINC000181941310 385620413 /nfs/dbraw/zinc/62/04/13/385620413.db2.gz LMZWPPZEHBYJEP-ZETCQYMHSA-N 0 0 242.369 2.029 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(C)c1OC ZINC000259987007 385636773 /nfs/dbraw/zinc/63/67/73/385636773.db2.gz FDEDZCHGJHUYFT-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccnc(Cl)c1 ZINC000181854336 385610653 /nfs/dbraw/zinc/61/06/53/385610653.db2.gz FKPXHHHJVCCQDM-SVRRBLITSA-N 0 0 225.679 2.265 10 0 BEAERN CC(C)CCCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000337343149 385610837 /nfs/dbraw/zinc/61/08/37/385610837.db2.gz XEZULBWESKOTAD-NEPJUHHUSA-N 0 0 242.363 2.289 10 0 BEAERN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000336682659 385642307 /nfs/dbraw/zinc/64/23/07/385642307.db2.gz YNGCAFTWHTUGPY-VWYCJHECSA-N 0 0 224.304 2.201 10 0 BEAERN CO[C@H](C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182217224 385645034 /nfs/dbraw/zinc/64/50/34/385645034.db2.gz JFCCZSFYRMANRK-JTNHKYCSSA-N 0 0 247.338 2.379 10 0 BEAERN CCOC(=O)Cc1c(F)cc(O)cc1Cl ZINC000260123578 385689779 /nfs/dbraw/zinc/68/97/79/385689779.db2.gz SMKHUSWPYCQTOQ-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN Cl/C=C/CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182678507 385695125 /nfs/dbraw/zinc/69/51/25/385695125.db2.gz RXIBERVHBYFFGU-HYYFJVDXSA-N 0 0 226.711 2.084 10 0 BEAERN COC(=O)c1cc(-c2sccc2C)on1 ZINC000211842298 385695631 /nfs/dbraw/zinc/69/56/31/385695631.db2.gz DRUWKTSRBXYZEM-UHFFFAOYSA-N 0 0 223.253 2.498 10 0 BEAERN CC(=O)c1c(O)cc(C)c2ccc(=O)oc21 ZINC000211815888 385696275 /nfs/dbraw/zinc/69/62/75/385696275.db2.gz ZQCYSQUKXDONSX-UHFFFAOYSA-N 0 0 218.208 2.010 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N1CC[C@H](CCO)C1 ZINC000336653822 385715450 /nfs/dbraw/zinc/71/54/50/385715450.db2.gz GOVLMWQGBCHMSY-LLVKDONJSA-N 0 0 241.375 2.290 10 0 BEAERN COC(=O)Cc1c(C)ccc(Cl)c1O ZINC000260077944 385667172 /nfs/dbraw/zinc/66/71/72/385667172.db2.gz QCSRIIWBHLEZHV-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN CCOC(=O)c1c(N)cc(C(F)(F)F)cc1O ZINC000260181629 385737165 /nfs/dbraw/zinc/73/71/65/385737165.db2.gz WINHPLQEZMQCRE-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1cncc(Br)c1 ZINC000301009834 385779967 /nfs/dbraw/zinc/77/99/67/385779967.db2.gz XKGQXCOBNNUCLJ-RNFRBKRXSA-N 0 0 245.120 2.025 10 0 BEAERN CCOC(=O)c1cc(O)c(OC)cc1Cl ZINC000261088552 385803572 /nfs/dbraw/zinc/80/35/72/385803572.db2.gz USZABBKQVALUPR-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(OC)c1O ZINC000231694751 385813549 /nfs/dbraw/zinc/81/35/49/385813549.db2.gz NHBTYNXOQMHLBQ-KOLCDFICSA-N 0 0 249.310 2.319 10 0 BEAERN CCN(C)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000365852743 385827950 /nfs/dbraw/zinc/82/79/50/385827950.db2.gz CIWQFGWKGXJGOC-QWRGUYRKSA-N 0 0 210.321 2.323 10 0 BEAERN CC(C)c1nccnc1NCCC(C)(C)O ZINC000413221844 385831389 /nfs/dbraw/zinc/83/13/89/385831389.db2.gz AZAQGKNTZGVWRC-UHFFFAOYSA-N 0 0 223.320 2.173 10 0 BEAERN CCOC(=O)Cc1c(F)c(F)cc(F)c1OC ZINC000260369664 385834801 /nfs/dbraw/zinc/83/48/01/385834801.db2.gz NFMPQCCZNSWDBG-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN CCN(CC1CC1)C(=O)NCc1cscn1 ZINC000112214787 385835013 /nfs/dbraw/zinc/83/50/13/385835013.db2.gz IQMRNUAOMGDOGY-UHFFFAOYSA-N 0 0 239.344 2.085 10 0 BEAERN CCCCCN(CCO)C(=O)N[C@H](C)C(C)C ZINC000112431606 385843662 /nfs/dbraw/zinc/84/36/62/385843662.db2.gz BKKHXHAIBMHFIU-GFCCVEGCSA-N 0 0 244.379 2.225 10 0 BEAERN C[C@@H](Cc1ccccc1)C(=O)NCC1(C)COC1 ZINC000112617709 385848139 /nfs/dbraw/zinc/84/81/39/385848139.db2.gz DLCOKNGGVMDSHV-LBPRGKRZSA-N 0 0 247.338 2.018 10 0 BEAERN CC(C)(C)CCCC(=O)NCC1(C)COC1 ZINC000112619353 385848372 /nfs/dbraw/zinc/84/83/72/385848372.db2.gz SSDZUOUCLFSSTL-UHFFFAOYSA-N 0 0 227.348 2.356 10 0 BEAERN C[C@H](CO)Sc1ncc2ccsc2n1 ZINC000307314166 385849079 /nfs/dbraw/zinc/84/90/79/385849079.db2.gz UXMLYWWYCAYGTE-ZCFIWIBFSA-N 0 0 226.326 2.164 10 0 BEAERN CCOC(=O)c1ncc(C)cc1Br ZINC000260286532 385790573 /nfs/dbraw/zinc/79/05/73/385790573.db2.gz ASJKRFNDSPNAGP-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nccc2occc21 ZINC000231331220 385794309 /nfs/dbraw/zinc/79/43/09/385794309.db2.gz SUAIRCRHEHDRQC-PSASIEDQSA-N 0 0 218.256 2.417 10 0 BEAERN Cc1ccc([C@H](C)NCc2cnns2)o1 ZINC000289963997 385796536 /nfs/dbraw/zinc/79/65/36/385796536.db2.gz IUWKDFJQGMMEQY-QMMMGPOBSA-N 0 0 223.301 2.290 10 0 BEAERN O=C1COC[C@H]1c1ccsc1Cl ZINC000575532412 385885630 /nfs/dbraw/zinc/88/56/30/385885630.db2.gz YZQSGNFHJXVKEW-LURJTMIESA-N 0 0 202.662 2.084 10 0 BEAERN O=C([O-])CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006392339 385900209 /nfs/dbraw/zinc/90/02/09/385900209.db2.gz JNYIZIRJPHQNSU-GFCCVEGCSA-N 0 0 234.299 2.083 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CC[C@H](C)SC1 ZINC000575535642 385909181 /nfs/dbraw/zinc/90/91/81/385909181.db2.gz YTCRBSQDXHMQNZ-XPUUQOCRSA-N 0 0 219.737 2.139 10 0 BEAERN CSCCC(=O)N[C@H]1CCC(C)(C)C1 ZINC000122363624 385913170 /nfs/dbraw/zinc/91/31/70/385913170.db2.gz RHCZLRFNFLPLMH-VIFPVBQESA-N 0 0 215.362 2.434 10 0 BEAERN COC(=O)Cc1c(Cl)cc(OC)cc1OC ZINC000260865410 385990925 /nfs/dbraw/zinc/99/09/25/385990925.db2.gz RYRSPONZFDJCNB-UHFFFAOYSA-N 0 0 244.674 2.073 10 0 BEAERN CC1(C)CC[C@H](N2C(=O)CC(C)(C)C2=O)C1 ZINC000335056451 385956616 /nfs/dbraw/zinc/95/66/16/385956616.db2.gz KXKIQZRFKCJZSW-VIFPVBQESA-N 0 0 223.316 2.350 10 0 BEAERN CC[C@](C)(CN[C@@H](C)c1ncc(C)o1)OC ZINC000319722461 385974203 /nfs/dbraw/zinc/97/42/03/385974203.db2.gz UTAKBRYJDVNJCQ-CMPLNLGQSA-N 0 0 226.320 2.449 10 0 BEAERN CCOC(=O)c1c(F)cc(F)cc1OC ZINC000261160874 386011109 /nfs/dbraw/zinc/01/11/09/386011109.db2.gz WBKKJHBHULFBMP-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CC(C)C1(NC(=O)C(C)(C)Br)CC1 ZINC000306848686 386020378 /nfs/dbraw/zinc/02/03/78/386020378.db2.gz MXHONRVZQMDCJW-UHFFFAOYSA-N 0 0 248.164 2.465 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1C(C)(C)O ZINC000345180974 386050001 /nfs/dbraw/zinc/05/00/01/386050001.db2.gz AQGXAXICFGEBKD-UTUOFQBUSA-N 0 0 239.359 2.185 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1ncc(N)s1 ZINC000575565104 386058305 /nfs/dbraw/zinc/05/83/05/386058305.db2.gz CQUBYDKRMQTGGJ-PHDIDXHHSA-N 0 0 215.347 2.031 10 0 BEAERN COc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1O ZINC000334435861 386058527 /nfs/dbraw/zinc/05/85/27/386058527.db2.gz ZPKHGJLEIBZAPG-ONGXEEELSA-N 0 0 247.294 2.025 10 0 BEAERN Cc1cscc1[C@H](NN)c1cscn1 ZINC000307179073 386085636 /nfs/dbraw/zinc/08/56/36/386085636.db2.gz HXAMNNRALWFPLS-VIFPVBQESA-N 0 0 225.342 2.066 10 0 BEAERN Cc1c(F)cc(Cl)c2nc[nH]c(=O)c12 ZINC000307178174 386085778 /nfs/dbraw/zinc/08/57/78/386085778.db2.gz YFXFNJUWQZTSMB-UHFFFAOYSA-N 0 0 212.611 2.436 10 0 BEAERN CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)n(C)n1 ZINC000414368312 386154874 /nfs/dbraw/zinc/15/48/74/386154874.db2.gz SJYUKQBEUQFQLH-JQWIXIFHSA-N 0 0 207.321 2.007 10 0 BEAERN CC[C@@H]1CN(Cc2cccc3c2NCC3)CCO1 ZINC000130485774 386168219 /nfs/dbraw/zinc/16/82/19/386168219.db2.gz CVHQEAKZAAYNGL-CQSZACIVSA-N 0 0 246.354 2.265 10 0 BEAERN CC[C@H]1CN(Cc2cccc3c2NCC3)CCO1 ZINC000130485998 386169500 /nfs/dbraw/zinc/16/95/00/386169500.db2.gz CVHQEAKZAAYNGL-AWEZNQCLSA-N 0 0 246.354 2.265 10 0 BEAERN CC(=O)Nc1ccc2c(Cl)ccnc2n1 ZINC000140253906 386186527 /nfs/dbraw/zinc/18/65/27/386186527.db2.gz JXCYQXFZWFAGJR-UHFFFAOYSA-N 0 0 221.647 2.242 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@@H](C)[C@H]1C ZINC000307182234 386131408 /nfs/dbraw/zinc/13/14/08/386131408.db2.gz NSOZMPRKEKNHTF-ZXFLCMHBSA-N 0 0 201.697 2.290 10 0 BEAERN C[C@H](NC(=O)c1ccc(Cl)o1)[C@@H]1CCCO1 ZINC000027890645 386134079 /nfs/dbraw/zinc/13/40/79/386134079.db2.gz FOLHMMRDQMUVSD-YUMQZZPRSA-N 0 0 243.690 2.230 10 0 BEAERN Cc1nnc(NC(=O)OCc2ccccc2)o1 ZINC000307183119 386140411 /nfs/dbraw/zinc/14/04/11/386140411.db2.gz PBBJXUSWONPGAR-UHFFFAOYSA-N 0 0 233.227 2.127 10 0 BEAERN CCCC(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000343188969 386202539 /nfs/dbraw/zinc/20/25/39/386202539.db2.gz IKGNERSKHRCXPW-UWVGGRQHSA-N 0 0 213.321 2.106 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CCC(C)(C)C ZINC000334622837 386209147 /nfs/dbraw/zinc/20/91/47/386209147.db2.gz PTTYHQBSVVPSGP-MNOVXSKESA-N 0 0 227.348 2.185 10 0 BEAERN O=C1C[C@@H](c2cc(Cl)sc2Cl)NN1 ZINC000575578271 386212795 /nfs/dbraw/zinc/21/27/95/386212795.db2.gz QGKOMXHXRNHADI-BYPYZUCNSA-N 0 0 237.111 2.121 10 0 BEAERN Cc1ncsc1-c1cc(=S)[nH]cn1 ZINC000575582687 386249866 /nfs/dbraw/zinc/24/98/66/386249866.db2.gz QUWYYVLOZLDYDF-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN C[C@@H](CO)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC000133407353 386320609 /nfs/dbraw/zinc/32/06/09/386320609.db2.gz KSEKZKTZMRBKAN-RYUDHWBXSA-N 0 0 249.354 2.097 10 0 BEAERN CN1C[C@@H](c2ccon2)Nc2ccccc21 ZINC000616681651 386263318 /nfs/dbraw/zinc/26/33/18/386263318.db2.gz SCNLNKSLFODMEY-NSHDSACASA-N 0 0 215.256 2.278 10 0 BEAERN CN1C[C@@H](c2cccnc2N)Nc2ccccc21 ZINC000616681615 386264659 /nfs/dbraw/zinc/26/46/59/386264659.db2.gz RHVJTVRVRKBYEN-LBPRGKRZSA-N 0 0 240.310 2.267 10 0 BEAERN O=Cc1cccnc1N1CCCCCC1 ZINC000236407444 386264767 /nfs/dbraw/zinc/26/47/67/386264767.db2.gz PVNWWEPEDBQTJA-UHFFFAOYSA-N 0 0 204.273 2.275 10 0 BEAERN Cc1cc(C(=O)N[C@@H](C)CC2CC2)cc(=O)[nH]1 ZINC000133760430 386344480 /nfs/dbraw/zinc/34/44/80/386344480.db2.gz BBCJZLWKAHWUKS-QMMMGPOBSA-N 0 0 234.299 2.014 10 0 BEAERN C[C@H]1CCN1c1ncc(N)cc1Br ZINC000575591453 386336296 /nfs/dbraw/zinc/33/62/96/386336296.db2.gz OMZFQCJLKDAIDL-LURJTMIESA-N 0 0 242.120 2.025 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1ccncc1Cl ZINC000399197536 386446223 /nfs/dbraw/zinc/44/62/23/386446223.db2.gz BFVBZPFIMJODMO-GXSJLCMTSA-N 0 0 240.734 2.080 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCS[C@H]1C ZINC000645399876 386408753 /nfs/dbraw/zinc/40/87/53/386408753.db2.gz XISJHYWXDMZPKH-VHSXEESVSA-N 0 0 237.372 2.328 10 0 BEAERN C[C@H](CC(=O)[O-])C[C@H]([NH3+])CC(C)(C)C ZINC000521401088 386452275 /nfs/dbraw/zinc/45/22/75/386452275.db2.gz FOYDOCVSZJRLLO-IUCAKERBSA-N 0 0 201.310 2.251 10 0 BEAERN CC[S@@](=N)(=O)c1ccc(Cl)cn1 ZINC000521399409 386430376 /nfs/dbraw/zinc/43/03/76/386430376.db2.gz NIDWUPXJXVTBPG-GFCCVEGCSA-N 0 0 204.682 2.161 10 0 BEAERN CN=[S@@](C)(=O)c1ccccc1Cl ZINC000521399887 386434865 /nfs/dbraw/zinc/43/48/65/386434865.db2.gz YEJMQAYLSFFYMF-LBPRGKRZSA-N 0 0 203.694 2.427 10 0 BEAERN CON(C)C(=O)CCc1ccc(F)c(Cl)c1 ZINC000215663138 386477082 /nfs/dbraw/zinc/47/70/82/386477082.db2.gz KHBJOQFTNFWWAE-UHFFFAOYSA-N 0 0 245.681 2.432 10 0 BEAERN CC(C)CCNc1nccn(CC(C)C)c1=O ZINC000061762170 386483063 /nfs/dbraw/zinc/48/30/63/386483063.db2.gz VAUHRJVKASFZDP-UHFFFAOYSA-N 0 0 237.347 2.357 10 0 BEAERN CC(=O)Nc1cc(Br)ncc1C ZINC000299888979 386494895 /nfs/dbraw/zinc/49/48/95/386494895.db2.gz BKYZRNHFRVLOIF-UHFFFAOYSA-N 0 0 229.077 2.111 10 0 BEAERN C[C@H](NC(=O)NC1CCCCC1)[C@H]1CCOC1 ZINC000135303844 386498999 /nfs/dbraw/zinc/49/89/99/386498999.db2.gz UYSALJLUOAJPJU-QWRGUYRKSA-N 0 0 240.347 2.043 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)Cc2ccccc2N)C1 ZINC000135422398 386512340 /nfs/dbraw/zinc/51/23/40/386512340.db2.gz FIYLVOBQFZOJGV-ZDUSSCGKSA-N 0 0 246.354 2.316 10 0 BEAERN C[C@@H](CC(=O)NCCc1ncc[nH]1)C(C)(C)C ZINC000135489557 386513462 /nfs/dbraw/zinc/51/34/62/386513462.db2.gz QEPGZTISPGBCRE-JTQLQIEISA-N 0 0 237.347 2.141 10 0 BEAERN COC(=O)Cc1cc(C)c(N)cc1C(F)(F)F ZINC000575641609 386576634 /nfs/dbraw/zinc/57/66/34/386576634.db2.gz XCHOJBQDOHIFDT-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN N#Cc1cc(F)cc(C(F)F)c1CO ZINC000575643162 386580595 /nfs/dbraw/zinc/58/05/95/386580595.db2.gz NTHTZGZVHNFNPO-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000111879884 386582449 /nfs/dbraw/zinc/58/24/49/386582449.db2.gz NVPFIALYRSQLEE-OSMZGAPFSA-N 0 0 244.338 2.424 10 0 BEAERN CCc1c(C#N)cc(C(C)=O)cc1[N+](=O)[O-] ZINC000575644580 386585393 /nfs/dbraw/zinc/58/53/93/386585393.db2.gz AGSVVXKJJHFWBN-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCOc1cc(C#N)cc(C=O)c1OC(F)F ZINC000575637919 386551510 /nfs/dbraw/zinc/55/15/10/386551510.db2.gz ASVCISZLSAMZLH-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CC(C)(C)[C@H](O)COc1cccc2c1OCC2 ZINC000401822301 386556883 /nfs/dbraw/zinc/55/68/83/386556883.db2.gz ZQCHTANPAPYZSG-GFCCVEGCSA-N 0 0 236.311 2.407 10 0 BEAERN CCOc1cc(C#N)c(OCC)c(OC)c1 ZINC000575638663 386557998 /nfs/dbraw/zinc/55/79/98/386557998.db2.gz SQOMFAHZAIAZDJ-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN O=C(C(F)F)N1CCCC[C@@H]1c1nccs1 ZINC000278661607 386559593 /nfs/dbraw/zinc/55/95/93/386559593.db2.gz MQHOIKZLEDMNAU-SSDOTTSWSA-N 0 0 246.282 2.462 10 0 BEAERN Cc1cc(OC(F)F)cc(C=O)c1C#N ZINC000575641001 386572643 /nfs/dbraw/zinc/57/26/43/386572643.db2.gz LKWVRSKCVOFMQP-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN COc1c(C)c(OC(F)F)ccc1C#N ZINC000575641513 386572752 /nfs/dbraw/zinc/57/27/52/386572752.db2.gz PMQIDDFFHSXAPR-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COc1ncc(-c2ccoc2C=O)s1 ZINC000307406510 386635896 /nfs/dbraw/zinc/63/58/96/386635896.db2.gz MRLZCEWAEYUQJR-UHFFFAOYSA-N 0 0 209.226 2.224 10 0 BEAERN c1sc(NC[C@@H]2CCCO2)nc1CC1CC1 ZINC000336646704 386640006 /nfs/dbraw/zinc/64/00/06/386640006.db2.gz BHOPNLHVMMBELT-NSHDSACASA-N 0 0 238.356 2.108 10 0 BEAERN CC[S@@](=O)Nc1ccc(O)c(Cl)c1 ZINC000307413938 386648223 /nfs/dbraw/zinc/64/82/23/386648223.db2.gz JDAUGYPZTQHMFQ-CYBMUJFWSA-N 0 0 219.693 2.141 10 0 BEAERN Cc1cc(-c2nc(CC3CCC3)no2)on1 ZINC000328990077 386668132 /nfs/dbraw/zinc/66/81/32/386668132.db2.gz ICCCDBQZNXZSCY-UHFFFAOYSA-N 0 0 219.244 2.376 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cncc(Cl)n1 ZINC000050376737 386671566 /nfs/dbraw/zinc/67/15/66/386671566.db2.gz ZRNFCFKGQOOLTJ-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN COC(=O)Cc1cccc(OC)c1C(F)(F)F ZINC000575339324 386686640 /nfs/dbraw/zinc/68/66/40/386686640.db2.gz IAIHDYJEILVRLN-UHFFFAOYSA-N 0 0 248.200 2.430 10 0 BEAERN Clc1nsc(N2CCCSCC2)n1 ZINC000307506534 386697530 /nfs/dbraw/zinc/69/75/30/386697530.db2.gz YMZBPGFMEVZLGV-UHFFFAOYSA-N 0 0 235.765 2.135 10 0 BEAERN CCCc1cc(Cl)n([C@@H]2CCOC2)n1 ZINC000307506500 386698355 /nfs/dbraw/zinc/69/83/55/386698355.db2.gz YJOIIZAXJNTUHE-SECBINFHSA-N 0 0 214.696 2.450 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC2(C1)CCCOC2 ZINC000335478022 386703082 /nfs/dbraw/zinc/70/30/82/386703082.db2.gz MCHYNDZCKBOTOY-NEPJUHHUSA-N 0 0 237.343 2.062 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CC2(C1)CCCOC2 ZINC000335478024 386703226 /nfs/dbraw/zinc/70/32/26/386703226.db2.gz MCHYNDZCKBOTOY-RYUDHWBXSA-N 0 0 237.343 2.062 10 0 BEAERN CCC(C)(C)CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000192203020 386740071 /nfs/dbraw/zinc/74/00/71/386740071.db2.gz ZFNJUKFQLIJDIF-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN COc1cccc([C@@H]2CCCCN2C(N)=O)c1 ZINC000616616174 386740541 /nfs/dbraw/zinc/74/05/41/386740541.db2.gz NWYGDBCZWUCMDH-LBPRGKRZSA-N 0 0 234.299 2.301 10 0 BEAERN CNc1cc(C)[nH+]c2ccc(C(=O)[O-])cc12 ZINC000004226470 386751992 /nfs/dbraw/zinc/75/19/92/386751992.db2.gz MNXNLPXNROKSKS-UHFFFAOYSA-N 0 0 216.240 2.283 10 0 BEAERN CCN1CC[C@H](C(=O)OC)c2ccccc21 ZINC000120482479 386752969 /nfs/dbraw/zinc/75/29/69/386752969.db2.gz SAXONYSCLHTKGP-NSHDSACASA-N 0 0 219.284 2.173 10 0 BEAERN CC(C)(C)c1ccc(OCc2nc(N)n[nH]2)cc1 ZINC000004227402 386753371 /nfs/dbraw/zinc/75/33/71/386753371.db2.gz MCKFCNRJJSJVMX-UHFFFAOYSA-N 0 0 246.314 2.263 10 0 BEAERN C[C@H](O)CN1CCCC[C@H]1c1nccs1 ZINC000248775414 386795558 /nfs/dbraw/zinc/79/55/58/386795558.db2.gz UJEQSUNLAJMXKO-UWVGGRQHSA-N 0 0 226.345 2.051 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000616617515 386818081 /nfs/dbraw/zinc/81/80/81/386818081.db2.gz RVOHAIWYPXCPAH-NSHDSACASA-N 0 0 234.299 2.418 10 0 BEAERN COC(=O)Cc1c(C)cncc1OC(F)(F)F ZINC000575375127 386799400 /nfs/dbraw/zinc/79/94/00/386799400.db2.gz OXLACTQNAVCVMC-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cncc(C)c1OC(F)(F)F ZINC000575375172 386800180 /nfs/dbraw/zinc/80/01/80/386800180.db2.gz SZAKJBNQMRQSBD-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CC1CN(C(=O)C2=CC(=S)CS2)C1 ZINC000575453613 386834265 /nfs/dbraw/zinc/83/42/65/386834265.db2.gz JGYIXFUPBFAYOE-UHFFFAOYSA-N 0 0 213.327 2.129 10 0 BEAERN Cc1cc(C(=O)CN2C[C@@H]3CCC[C@H]32)c(C)[nH]1 ZINC000334780865 386834925 /nfs/dbraw/zinc/83/49/25/386834925.db2.gz CPMNPDBXUZCGFC-WCQYABFASA-N 0 0 232.327 2.299 10 0 BEAERN Cc1cc(C)nc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000301418792 386841714 /nfs/dbraw/zinc/84/17/14/386841714.db2.gz MVPAFFFMVINTHA-CHWSQXEVSA-N 0 0 229.327 2.496 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ncccc1C(=O)NC ZINC000301462173 386846074 /nfs/dbraw/zinc/84/60/74/386846074.db2.gz VAIGLAZHVXYOOB-GXSJLCMTSA-N 0 0 233.315 2.042 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(CC)nc2ncnn21 ZINC000301464272 386846256 /nfs/dbraw/zinc/84/62/56/386846256.db2.gz WDUSAVKBIDTFJT-KOLCDFICSA-N 0 0 245.330 2.287 10 0 BEAERN CC[C@H](CN[C@H](C)c1ncc(C)o1)OC ZINC000336739631 386886323 /nfs/dbraw/zinc/88/63/23/386886323.db2.gz SPVNWLJSPBCAHE-NXEZZACHSA-N 0 0 212.293 2.059 10 0 BEAERN CCc1cc(Nc2cc(C)n(C)n2)nc(C)n1 ZINC000302106288 386904166 /nfs/dbraw/zinc/90/41/66/386904166.db2.gz RZYHUNWTSNXSJH-UHFFFAOYSA-N 0 0 231.303 2.133 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116047044 386912211 /nfs/dbraw/zinc/91/22/11/386912211.db2.gz AMSPVYLMOMRLRA-GHMZBOCLSA-N 0 0 237.299 2.226 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)CCC(F)(F)F ZINC000307634134 386961629 /nfs/dbraw/zinc/96/16/29/386961629.db2.gz OZXGWYOBNSAWJT-RQJHMYQMSA-N 0 0 214.252 2.443 10 0 BEAERN C[C@H](C(N)=O)N1CCC(c2nccs2)CC1 ZINC000334898303 386971256 /nfs/dbraw/zinc/97/12/56/386971256.db2.gz CJOTUEIWZJUXPK-MRVPVSSYSA-N 0 0 239.344 2.246 10 0 BEAERN CCOC(=O)c1ncc(OC)cc1C(F)(F)F ZINC000575397430 386998266 /nfs/dbraw/zinc/99/82/66/386998266.db2.gz GOGQXMWMJIFRJD-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOC(=O)c1c(OC)cncc1C(F)(F)F ZINC000575397456 386998463 /nfs/dbraw/zinc/99/84/63/386998463.db2.gz PELPTURVRHGAFJ-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CC(C)CCC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398821318 387001661 /nfs/dbraw/zinc/00/16/61/387001661.db2.gz ZJCDXBISTQESSA-AVGNSLFASA-N 0 0 239.359 2.042 10 0 BEAERN Clc1n[nH]c([C@@H]2CCCSCC2)n1 ZINC000575576094 387004191 /nfs/dbraw/zinc/00/41/91/387004191.db2.gz DNVIXOKMTYHMCO-ZCFIWIBFSA-N 0 0 217.725 2.459 10 0 BEAERN CCONC(=O)N1CCC[C@H]1c1ccco1 ZINC000116414169 386950689 /nfs/dbraw/zinc/95/06/89/386950689.db2.gz ADNOFZASZNDCCO-VIFPVBQESA-N 0 0 224.260 2.078 10 0 BEAERN Cc1nn(C(C)(C)C)c(=O)n1[C@H]1CC[C@H](C)C1 ZINC000334955414 387033779 /nfs/dbraw/zinc/03/37/79/387033779.db2.gz GYQRABUUQPZPTN-ONGXEEELSA-N 0 0 237.347 2.469 10 0 BEAERN CCOc1cc(CO)c(F)c(OC(F)F)c1 ZINC000575654957 387035694 /nfs/dbraw/zinc/03/56/94/387035694.db2.gz FWMFNQTWDKLEFO-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1c(CO)ccc(OC(F)F)c1OC ZINC000575656006 387037770 /nfs/dbraw/zinc/03/77/70/387037770.db2.gz BUQWRXXBPTYQIV-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN COC(=O)C[C@]1(C)C=Cc2ccccc2O1 ZINC000575423513 387038525 /nfs/dbraw/zinc/03/85/25/387038525.db2.gz OJZLILAIPFXZOI-ZDUSSCGKSA-N 0 0 218.252 2.414 10 0 BEAERN CCOc1c(C)c(OC(F)F)ccc1CO ZINC000575655642 387040117 /nfs/dbraw/zinc/04/01/17/387040117.db2.gz APIWIGREBIIPOA-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCOc1cc(OC)c(CO)c(OC(F)F)c1 ZINC000575656567 387042529 /nfs/dbraw/zinc/04/25/29/387042529.db2.gz GNRQDXANWBQCQS-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1cc(F)c(OC(F)F)cc1CO ZINC000575657273 387043500 /nfs/dbraw/zinc/04/35/00/387043500.db2.gz TXAOMVJPFJUZMI-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN O[C@H](Cc1ccccn1)c1cccs1 ZINC000040237810 387043987 /nfs/dbraw/zinc/04/39/87/387043987.db2.gz QDNYXJHVYLFVHM-SNVBAGLBSA-N 0 0 205.282 2.419 10 0 BEAERN CCOc1c(CO)ccc(OC)c1OC(F)F ZINC000575657588 387045428 /nfs/dbraw/zinc/04/54/28/387045428.db2.gz NBFDTMRKTMPVBE-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN Cc1nc(N[C@@H](C)CF)ccc1Br ZINC000575578989 387046648 /nfs/dbraw/zinc/04/66/48/387046648.db2.gz JIQAYMGVOBUJNI-LURJTMIESA-N 0 0 247.111 2.344 10 0 BEAERN COC(=O)c1sc(-c2cccc(O)c2)cc1N ZINC000575425172 387048035 /nfs/dbraw/zinc/04/80/35/387048035.db2.gz RNVRZJCTEXYICB-UHFFFAOYSA-N 0 0 249.291 2.490 10 0 BEAERN CCc1c(OC(F)F)ccc(CO)c1OC ZINC000575659121 387049308 /nfs/dbraw/zinc/04/93/08/387049308.db2.gz VYHWDYJKJAWBSJ-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN COc1cc(C=O)c(OC(F)F)cc1F ZINC000575660667 387050984 /nfs/dbraw/zinc/05/09/84/387050984.db2.gz WTXVXOABRAAUAS-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C[C@@H]1C[C@]1(C)Nc1ccncc1Br ZINC000575580874 387052009 /nfs/dbraw/zinc/05/20/09/387052009.db2.gz ZKHURPLKSRYMSB-XCBNKYQSSA-N 0 0 241.132 2.476 10 0 BEAERN C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C)C(C)(C)C ZINC000399077098 387052780 /nfs/dbraw/zinc/05/27/80/387052780.db2.gz QSABNEYIYXJSTR-MXWKQRLJSA-N 0 0 227.348 2.040 10 0 BEAERN O=C1C[C@H]2C[C@@H]1[C@@H](c1nc(CC3CCC3)no1)C2 ZINC000333843304 387058252 /nfs/dbraw/zinc/05/82/52/387058252.db2.gz LRRPOIRWDDQGLS-AXFHLTTASA-N 0 0 246.310 2.495 10 0 BEAERN C[C@@H](CF)Nc1nc(Cl)ccc1N ZINC000575584548 387063472 /nfs/dbraw/zinc/06/34/72/387063472.db2.gz WMOYUTIWLQABAD-YFKPBYRVSA-N 0 0 203.648 2.087 10 0 BEAERN OC[C@@H]1Cc2occc2C[N@@H+]1CC1CCCC1 ZINC000575407932 387009276 /nfs/dbraw/zinc/00/92/76/387009276.db2.gz VARGZLYCYVCAPD-ZDUSSCGKSA-N 0 0 235.327 2.189 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCC1CC1 ZINC000117750214 387029327 /nfs/dbraw/zinc/02/93/27/387029327.db2.gz YSTXENNBJAQDDC-TVQRCGJNSA-N 0 0 231.295 2.077 10 0 BEAERN CC(C)[C@H](O)Cc1nc(C2CCCC2)no1 ZINC000070997475 387086135 /nfs/dbraw/zinc/08/61/35/387086135.db2.gz CSLDYMPGJMTTIT-SNVBAGLBSA-N 0 0 224.304 2.287 10 0 BEAERN O=C(C1CCCCCC1)N1CC[C@H](CCO)C1 ZINC000127029758 387093139 /nfs/dbraw/zinc/09/31/39/387093139.db2.gz DZNJGEQUDPWQFC-GFCCVEGCSA-N 0 0 239.359 2.188 10 0 BEAERN Cc1noc(C)c1C(=O)N[C@H](C)CC1CC1 ZINC000112605697 387106174 /nfs/dbraw/zinc/10/61/74/387106174.db2.gz XBICXYNBOUSMSD-SSDOTTSWSA-N 0 0 222.288 2.210 10 0 BEAERN [NH3+][C@H](CC(F)F)c1ccccc1C(=O)[O-] ZINC000575437657 387108524 /nfs/dbraw/zinc/10/85/24/387108524.db2.gz MOGGKCUTEQBKKA-MRVPVSSYSA-N 0 0 215.199 2.040 10 0 BEAERN Cc1cc(CO)c(OC(F)F)cc1F ZINC000575661670 387112532 /nfs/dbraw/zinc/11/25/32/387112532.db2.gz SINZMTOOYMTBEN-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCn1ccc2cc(=O)[nH]c-2c1Br ZINC000575439176 387121335 /nfs/dbraw/zinc/12/13/35/387121335.db2.gz WOKWGIHVCQNWLJ-UHFFFAOYSA-N 0 0 241.088 2.476 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C(C)(C)C1CCC1 ZINC000322148987 387155882 /nfs/dbraw/zinc/15/58/82/387155882.db2.gz SGSNZACBEYHUFH-PWSUYJOCSA-N 0 0 239.359 2.185 10 0 BEAERN COc1cc(N)ccc1COC1CCC1 ZINC000234795822 387157181 /nfs/dbraw/zinc/15/71/81/387157181.db2.gz ZPMCHKMCSZJCKL-UHFFFAOYSA-N 0 0 207.273 2.347 10 0 BEAERN O=C1CC2(CCOCC2)Oc2cc(F)ccc21 ZINC000165459595 387158332 /nfs/dbraw/zinc/15/83/32/387158332.db2.gz NNVGBVLALDYHMN-UHFFFAOYSA-N 0 0 236.242 2.340 10 0 BEAERN Cc1ccnc(C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000307558553 387159211 /nfs/dbraw/zinc/15/92/11/387159211.db2.gz AYOKIKBGTWKYKX-UHFFFAOYSA-N 0 0 249.314 2.119 10 0 BEAERN CN(C)c1ccc([C@@H]2CNC(=O)C23CCC3)cc1 ZINC000536950301 387162417 /nfs/dbraw/zinc/16/24/17/387162417.db2.gz FWPCMWSSXJJIGN-ZDUSSCGKSA-N 0 0 244.338 2.136 10 0 BEAERN C[C@H]1CC[C@](O)(Cc2nc(C(C)(C)C)no2)C1 ZINC000536952190 387165983 /nfs/dbraw/zinc/16/59/83/387165983.db2.gz AWEYIXHFHACVJY-TVQRCGJNSA-N 0 0 238.331 2.461 10 0 BEAERN C[C@@H]1CCC[C@]1(O)Cc1nc(C(C)(C)C)no1 ZINC000536952535 387166128 /nfs/dbraw/zinc/16/61/28/387166128.db2.gz CUKUPIZDKDPOEW-RNCFNFMXSA-N 0 0 238.331 2.461 10 0 BEAERN CS(C)(=O)=Nc1ccc(F)c(F)c1 ZINC000536955719 387169469 /nfs/dbraw/zinc/16/94/69/387169469.db2.gz SDEXYQGUJFTITA-UHFFFAOYSA-N 0 0 205.229 2.324 10 0 BEAERN O=c1[nH]ncc2c(C3CC3)[nH]c(C3CC3)c21 ZINC000536957279 387170729 /nfs/dbraw/zinc/17/07/29/387170729.db2.gz FDZHQCQASOFRIO-UHFFFAOYSA-N 0 0 215.256 2.418 10 0 BEAERN Cc1ccc(N=S2(=O)CCCC2)nc1 ZINC000536957708 387171379 /nfs/dbraw/zinc/17/13/79/387171379.db2.gz OAAHSUVCARZUOZ-UHFFFAOYSA-N 0 0 210.302 2.283 10 0 BEAERN O=S1(=Nc2ncccc2F)CCCC1 ZINC000536958384 387171819 /nfs/dbraw/zinc/17/18/19/387171819.db2.gz ZSXGAMBVIGSBKW-UHFFFAOYSA-N 0 0 214.265 2.114 10 0 BEAERN C[C@H]1C[C@@]1(C)Nc1cc(Br)ncn1 ZINC000575587958 387174922 /nfs/dbraw/zinc/17/49/22/387174922.db2.gz ASBWNYLAJUVFGB-IMTBSYHQSA-N 0 0 242.120 2.450 10 0 BEAERN CC(C)(c1csc(N)n1)C(F)(F)F ZINC000575479230 387176929 /nfs/dbraw/zinc/17/69/29/387176929.db2.gz CLINUKDMENICMN-UHFFFAOYSA-N 0 0 210.224 2.396 10 0 BEAERN C[C@H](O)C1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000300240616 387183853 /nfs/dbraw/zinc/18/38/53/387183853.db2.gz SJVHXBUUZSBXMH-NTZNESFSSA-N 0 0 239.359 2.042 10 0 BEAERN CCOCCC1(C(=O)N[C@@H]2C[C@@H]2C)CCC1 ZINC000120605148 387191699 /nfs/dbraw/zinc/19/16/99/387191699.db2.gz IZECPOUBZFKVRA-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN CC(=O)Oc1c[nH]c2cc(F)c(F)cc12 ZINC000575440620 387134505 /nfs/dbraw/zinc/13/45/05/387134505.db2.gz YBTWKGHQLSXJKS-UHFFFAOYSA-N 0 0 211.167 2.371 10 0 BEAERN O=C1Cc2c(c(Br)cc(F)c2F)N1 ZINC000575441099 387137538 /nfs/dbraw/zinc/13/75/38/387137538.db2.gz XXNZSKGJPMBLNW-UHFFFAOYSA-N 0 0 248.026 2.222 10 0 BEAERN CCC[C@](C)(O)CNC(=O)[C@H]1CCC[C@H]1C ZINC000300395460 387202876 /nfs/dbraw/zinc/20/28/76/387202876.db2.gz BKPHFOGCVJVLAQ-MDZLAQPJSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@H]1C ZINC000230170053 387238410 /nfs/dbraw/zinc/23/84/10/387238410.db2.gz UYLNOOVHVODAPO-XCBNKYQSSA-N 0 0 221.304 2.401 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CCO ZINC000230169882 387238937 /nfs/dbraw/zinc/23/89/37/387238937.db2.gz IEIUKXJBWDOQTE-UPJWGTAASA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(O)c1 ZINC000230173036 387239603 /nfs/dbraw/zinc/23/96/03/387239603.db2.gz VQNYJIPJSZNPIC-MFKMUULPSA-N 0 0 233.311 2.445 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(CO)c1 ZINC000230174150 387240818 /nfs/dbraw/zinc/24/08/18/387240818.db2.gz VLSUCCPBWCLRND-RISCZKNCSA-N 0 0 247.338 2.231 10 0 BEAERN CCC[C@H](CCO)CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230174727 387241023 /nfs/dbraw/zinc/24/10/23/387241023.db2.gz WJHRUYOTRZUJND-YNEHKIRRSA-N 0 0 241.375 2.338 10 0 BEAERN O=C(NC[C@H]1CCCSCC1)C(F)(F)F ZINC000575484085 387195378 /nfs/dbraw/zinc/19/53/78/387195378.db2.gz HODYHHMERZYJFK-ZETCQYMHSA-N 0 0 241.278 2.198 10 0 BEAERN CCc1cc(C=O)c(CO)c(C(F)F)c1 ZINC000575665687 387315147 /nfs/dbraw/zinc/31/51/47/387315147.db2.gz AQBMLISFVQLYFG-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCc1cc(CO)c(C(F)F)cc1C=O ZINC000575666169 387315253 /nfs/dbraw/zinc/31/52/53/387315253.db2.gz FBDGJAFOJJGHMA-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN Cc1c(O)cc(C=O)cc1OC(F)F ZINC000575663396 387286657 /nfs/dbraw/zinc/28/66/57/387286657.db2.gz YNFVRNOGXUHWMH-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(O)c(C(C)=O)cc1OC(F)F ZINC000575663430 387287662 /nfs/dbraw/zinc/28/76/62/387287662.db2.gz ZLBRUVLKPABTDC-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCc1cc(C(F)F)c(C=O)cc1CO ZINC000575666903 387319286 /nfs/dbraw/zinc/31/92/86/387319286.db2.gz GXJKUHBYKAISFH-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN COc1cc(C)c(O)cc1OC(F)F ZINC000575664497 387291398 /nfs/dbraw/zinc/29/13/98/387291398.db2.gz GXJHOWSUPCTJBP-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN COC(=O)c1cc(Br)c[nH]c1=S ZINC000259611721 387303940 /nfs/dbraw/zinc/30/39/40/387303940.db2.gz MWYZXENGEDRDEU-UHFFFAOYSA-N 0 0 248.101 2.293 10 0 BEAERN CC1(C)CCN1c1nnc(Br)s1 ZINC000575599710 387355255 /nfs/dbraw/zinc/35/52/55/387355255.db2.gz ULFLFZPDARGAGG-UHFFFAOYSA-N 0 0 248.149 2.289 10 0 BEAERN Fc1nc(CC2CC2)nc(F)c1Br ZINC000575600128 387358073 /nfs/dbraw/zinc/35/80/73/387358073.db2.gz MHXSMMWXINJZFS-UHFFFAOYSA-N 0 0 249.058 2.470 10 0 BEAERN OCc1ccc(Cl)c(Br)c1O ZINC000575675937 387358356 /nfs/dbraw/zinc/35/83/56/387358356.db2.gz NZQBWXGWYGXZOV-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN OCc1cc(Br)c(Cl)cc1O ZINC000575676687 387359398 /nfs/dbraw/zinc/35/93/98/387359398.db2.gz SQHBMNPWDLIZPB-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN Cc1nccc2c1ncn2-c1ccc(F)cn1 ZINC000575601397 387360163 /nfs/dbraw/zinc/36/01/63/387360163.db2.gz DSKMROBXRCTPLF-UHFFFAOYSA-N 0 0 228.230 2.263 10 0 BEAERN O[C@@H](c1cccnc1Br)C(F)F ZINC000575601407 387360273 /nfs/dbraw/zinc/36/02/73/387360273.db2.gz FASSTAJQGFUMDT-YFKPBYRVSA-N 0 0 238.031 2.143 10 0 BEAERN Nc1ccn(C[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000575601716 387364549 /nfs/dbraw/zinc/36/45/49/387364549.db2.gz HBOAIDVJJSAYHY-VXGBXAGGSA-N 0 0 213.284 2.099 10 0 BEAERN Cc1ccc([C@@H]2C[C@H]2Cn2ccc(N)n2)cc1 ZINC000575602921 387366368 /nfs/dbraw/zinc/36/63/68/387366368.db2.gz WIQMLYUWCSOULP-STQMWFEESA-N 0 0 227.311 2.408 10 0 BEAERN CC(C)COc1cncc(N2CCC(=O)CC2)c1 ZINC000575601892 387368149 /nfs/dbraw/zinc/36/81/49/387368149.db2.gz QNMPRVUKIJELIH-UHFFFAOYSA-N 0 0 248.326 2.286 10 0 BEAERN CC[C@@H]1COc2c(Br)cnn2C1 ZINC000575602385 387370950 /nfs/dbraw/zinc/37/09/50/387370950.db2.gz NLEUVRUTUDMAKQ-LURJTMIESA-N 0 0 231.093 2.064 10 0 BEAERN CC[C@H]1COc2c(Br)cnn2C1 ZINC000575602386 387371647 /nfs/dbraw/zinc/37/16/47/387371647.db2.gz NLEUVRUTUDMAKQ-ZCFIWIBFSA-N 0 0 231.093 2.064 10 0 BEAERN COc1cc(F)c(CO)c(Br)c1 ZINC000575689002 387375646 /nfs/dbraw/zinc/37/56/46/387375646.db2.gz DQZXYRFIVZLRHX-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccco1 ZINC000648605425 387377223 /nfs/dbraw/zinc/37/72/23/387377223.db2.gz HMXHCAIAATXTQQ-IVZWLZJFSA-N 0 0 205.257 2.198 10 0 BEAERN O=Cc1cc(F)c(Br)cc1C=O ZINC000575689305 387377652 /nfs/dbraw/zinc/37/76/52/387377652.db2.gz BEYBKPFTEOVZLV-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN Cc1c(O)c(Br)ccc1C=O ZINC000575691890 387379661 /nfs/dbraw/zinc/37/96/61/387379661.db2.gz AEVCHOIITAZMLV-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN CCOc1c(O)c(CO)ccc1C(F)F ZINC000575667571 387321200 /nfs/dbraw/zinc/32/12/00/387321200.db2.gz QLBNXDZKFUIPFO-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CC(=O)CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000121284465 387321940 /nfs/dbraw/zinc/32/19/40/387321940.db2.gz NKNLMFKMYLCPDL-HNNXBMFYSA-N 0 0 247.338 2.213 10 0 BEAERN CCOc1cc(C(F)F)cc(CO)c1O ZINC000575668315 387325213 /nfs/dbraw/zinc/32/52/13/387325213.db2.gz VMGXPTPGEPHIFZ-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN Cc1c(C=O)cc(C(F)F)cc1CO ZINC000575669431 387329527 /nfs/dbraw/zinc/32/95/27/387329527.db2.gz VGCHOHHDGZVJFD-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN COc1c(C)cc(CO)cc1C(F)F ZINC000575670271 387331288 /nfs/dbraw/zinc/33/12/88/387331288.db2.gz BSXPUNCYMFTYMZ-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN CC(=O)c1cc(O)cc(C=O)c1C(F)F ZINC000575669906 387331294 /nfs/dbraw/zinc/33/12/94/387331294.db2.gz SDTVWTWHZVABAS-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN Cc1cc(C(N)=O)c(C(F)(F)F)cc1C ZINC000575673007 387339854 /nfs/dbraw/zinc/33/98/54/387339854.db2.gz YGIKYIIXLFVSPB-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN CCSc1ccc(Br)nn1 ZINC000575596407 387341896 /nfs/dbraw/zinc/34/18/96/387341896.db2.gz XBUOAUPJJBSACQ-UHFFFAOYSA-N 0 0 219.107 2.351 10 0 BEAERN C[C@H]1CCN1c1cc(Cl)nnc1Cl ZINC000575596583 387342178 /nfs/dbraw/zinc/34/21/78/387342178.db2.gz AYSOJHUQYHNQBO-YFKPBYRVSA-N 0 0 218.087 2.382 10 0 BEAERN C[C@@H]1CCN1c1cc(Cl)nnc1Cl ZINC000575596582 387342961 /nfs/dbraw/zinc/34/29/61/387342961.db2.gz AYSOJHUQYHNQBO-RXMQYKEDSA-N 0 0 218.087 2.382 10 0 BEAERN Clc1nc([C@@H]2CCCCO2)ns1 ZINC000575596759 387345045 /nfs/dbraw/zinc/34/50/45/387345045.db2.gz VAXJFZPIDCYVEK-YFKPBYRVSA-N 0 0 204.682 2.433 10 0 BEAERN C[C@H](O)c1cc(N)ccc1Br ZINC000575501794 387353247 /nfs/dbraw/zinc/35/32/47/387353247.db2.gz PQPUFGBKVOMKJI-YFKPBYRVSA-N 0 0 216.078 2.085 10 0 BEAERN C[C@H](CCO)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000121474910 387353723 /nfs/dbraw/zinc/35/37/23/387353723.db2.gz PUZWZAGWRBQUQN-RAIGVLPGSA-N 0 0 239.359 2.090 10 0 BEAERN C[S@](=O)CCn1ccc2ccccc21 ZINC000306572192 387427990 /nfs/dbraw/zinc/42/79/90/387427990.db2.gz HOTCJBDOWOPOJN-AWEZNQCLSA-N 0 0 207.298 2.020 10 0 BEAERN COc1cc(C(F)(F)F)c(C(C)=O)cc1N ZINC000575717121 387435130 /nfs/dbraw/zinc/43/51/30/387435130.db2.gz RLZKINAJYYUQDH-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN COc1cc(N)c(C(C)=O)c(C(F)(F)F)c1 ZINC000575717633 387436060 /nfs/dbraw/zinc/43/60/60/387436060.db2.gz XWAZELSSQBIFBS-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CCOC(=O)c1c(C)cc(N)cc1CC ZINC000575724426 387438516 /nfs/dbraw/zinc/43/85/16/387438516.db2.gz GWXOWOYXFWHJKE-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN Nc1cc(OC(F)F)cc(O)c1Cl ZINC000575719922 387439192 /nfs/dbraw/zinc/43/91/92/387439192.db2.gz BISAZWYYPJPPCI-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(O)cc(Br)c1Cl ZINC000575719893 387439454 /nfs/dbraw/zinc/43/94/54/387439454.db2.gz OEICVLZPGFWEGP-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN c1nnsc1N[C@H]1CCCSCC1 ZINC000575518367 387439616 /nfs/dbraw/zinc/43/96/16/387439616.db2.gz NWKVIRJOHYGOPK-ZETCQYMHSA-N 0 0 215.347 2.236 10 0 BEAERN Nc1c(O)ccc(Cl)c1OC(F)F ZINC000575719821 387440615 /nfs/dbraw/zinc/44/06/15/387440615.db2.gz AHJQFSIYAQDOPA-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1ccc(N)c(OCC)c1OC ZINC000575721464 387444421 /nfs/dbraw/zinc/44/44/21/387444421.db2.gz MGEFOTWYNZKRKT-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN COc1c(C)ccc(OC(F)F)c1N ZINC000575722321 387444620 /nfs/dbraw/zinc/44/46/20/387444620.db2.gz AGTGBOKVSDLGPR-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCCn1nccc1NC(=O)CO[C@@H](C)CC ZINC000121977835 387444938 /nfs/dbraw/zinc/44/49/38/387444938.db2.gz MKLCOUYJJSXCAB-JTQLQIEISA-N 0 0 239.319 2.047 10 0 BEAERN Nc1ccc(C(F)F)c(N)c1OC(F)F ZINC000575723146 387446011 /nfs/dbraw/zinc/44/60/11/387446011.db2.gz QJMVXEKKKTUSMS-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN CCc1cc(N)cc(Br)c1N ZINC000575723533 387446513 /nfs/dbraw/zinc/44/65/13/387446513.db2.gz XGVVFNWINKOGBV-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN COc1c(N)c(C)ccc1OC(F)F ZINC000575723782 387447271 /nfs/dbraw/zinc/44/72/71/387447271.db2.gz WYUHMLBAWMNVRJ-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)c1cc(C)c(N)cc1OCC ZINC000575724069 387447308 /nfs/dbraw/zinc/44/73/08/387447308.db2.gz RJEZWVZSIIQJBK-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1cc(N)c(CC)cc1OCC ZINC000575724106 387447585 /nfs/dbraw/zinc/44/75/85/387447585.db2.gz TXLBRKDWUHTULD-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1c(N)cc(F)cc1CC ZINC000575723739 387447894 /nfs/dbraw/zinc/44/78/94/387447894.db2.gz FDXZBABVRJLNJT-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1cc(N)cc(CC)c1C ZINC000575724312 387448740 /nfs/dbraw/zinc/44/87/40/387448740.db2.gz FYRZHZIUISPYBQ-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN C[C@@H](O)CNc1cccc(Br)c1F ZINC000575523033 387449652 /nfs/dbraw/zinc/44/96/52/387449652.db2.gz DPYCEIRCNQSDSP-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN C[C@@H]1C[C@@H]1c1coc(I)n1 ZINC000306273372 387449859 /nfs/dbraw/zinc/44/98/59/387449859.db2.gz ZFWZOKTWFKGGLJ-UHNVWZDZSA-N 0 0 249.051 2.403 10 0 BEAERN C[C@@H]1C[C@H]1c1coc(I)n1 ZINC000306273371 387449957 /nfs/dbraw/zinc/44/99/57/387449957.db2.gz ZFWZOKTWFKGGLJ-RFZPGFLSSA-N 0 0 249.051 2.403 10 0 BEAERN CCOC(=O)Cc1cc(CC)cc(N)c1C ZINC000575725512 387457741 /nfs/dbraw/zinc/45/77/41/387457741.db2.gz ZKIJXGBIYQTNBH-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCOc1c(C=O)cc(OC)cc1CC ZINC000575694171 387387082 /nfs/dbraw/zinc/38/70/82/387387082.db2.gz BANJZOKHDYLYSV-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCSC1 ZINC000121605530 387388107 /nfs/dbraw/zinc/38/81/07/387388107.db2.gz YTQMWAYICXVZIW-UWVGGRQHSA-N 0 0 230.377 2.178 10 0 BEAERN CCOc1ccc(OC)c(C(C)=O)c1OC ZINC000575695158 387393727 /nfs/dbraw/zinc/39/37/27/387393727.db2.gz NYDHMAHHPQQVHW-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCOc1cc(OC)c(C(C)=O)c(OC)c1 ZINC000575695885 387395988 /nfs/dbraw/zinc/39/59/88/387395988.db2.gz RMOSAXYRWZIODH-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCOc1cc(CC)cc(C)c1C(N)=O ZINC000575697036 387397803 /nfs/dbraw/zinc/39/78/03/387397803.db2.gz RFNNEHNHQPACBC-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CCc1c(C(N)=O)ccc(OC)c1C(F)(F)F ZINC000575703487 387400056 /nfs/dbraw/zinc/40/00/56/387400056.db2.gz MWOMDDGVADWPLZ-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1cc(C(N)=O)cc(OC)c1SC ZINC000575703247 387400296 /nfs/dbraw/zinc/40/02/96/387400296.db2.gz MBYHBMVMWDUWPY-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CC(=O)CCC(=O)N1CCC12CCCCC2 ZINC000373869165 387401564 /nfs/dbraw/zinc/40/15/64/387401564.db2.gz SNOKDBKFLFOBAH-UHFFFAOYSA-N 0 0 223.316 2.291 10 0 BEAERN CCOC(=O)c1c(O)cc(F)cc1Cl ZINC000575699661 387403369 /nfs/dbraw/zinc/40/33/69/387403369.db2.gz BTFBZEXMAWPIGK-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCOC(=O)Cc1c(O)cc(F)cc1Cl ZINC000575700987 387403606 /nfs/dbraw/zinc/40/36/06/387403606.db2.gz OWPONHLQAGJHCH-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)c1c(F)ccc(O)c1Cl ZINC000575700373 387404142 /nfs/dbraw/zinc/40/41/42/387404142.db2.gz JBURQMLVKDKKPU-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCOC(=O)Cc1c(O)cc(Cl)cc1OC ZINC000575701376 387405555 /nfs/dbraw/zinc/40/55/55/387405555.db2.gz XJHTVURJCOPBCY-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCc1cc(SC)c(F)cc1C(N)=O ZINC000575702407 387406472 /nfs/dbraw/zinc/40/64/72/387406472.db2.gz PRFPBIYAPOLOEX-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN CSc1c(O)cc(F)cc1C(C)=O ZINC000575702214 387406664 /nfs/dbraw/zinc/40/66/64/387406664.db2.gz BXMSNGWTUPNBHP-UHFFFAOYSA-N 0 0 200.234 2.456 10 0 BEAERN CCc1cc(OC)c(C(N)=O)c(C(F)(F)F)c1 ZINC000575702075 387407279 /nfs/dbraw/zinc/40/72/79/387407279.db2.gz CKYFBBMDWKITEB-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN COc1cc(Cl)c(OC)c(OC)c1 ZINC000575713826 387408898 /nfs/dbraw/zinc/40/88/98/387408898.db2.gz FPQSGKJIIQJNMP-UHFFFAOYSA-N 0 0 202.637 2.366 10 0 BEAERN O=Cc1c(F)cc(CO)cc1OC(F)(F)F ZINC000575706426 387411117 /nfs/dbraw/zinc/41/11/17/387411117.db2.gz VQHLBFXLYWCTND-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COC(=O)c1c(O)c(F)ccc1C(F)(F)F ZINC000575713852 387413510 /nfs/dbraw/zinc/41/35/10/387413510.db2.gz HOPHZZMQVUYTOK-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN Cc1cc(OC(F)(F)F)c(F)c(C(N)=O)c1 ZINC000575710822 387415074 /nfs/dbraw/zinc/41/50/74/387415074.db2.gz ZBBUWFXRNTXDJU-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)C1CC1 ZINC000121805584 387418350 /nfs/dbraw/zinc/41/83/50/387418350.db2.gz FPHHOUADNGTXGL-MRVPVSSYSA-N 0 0 235.331 2.370 10 0 BEAERN COc1cc(N)c(C(C)=O)cc1OC(F)F ZINC000575718001 387422760 /nfs/dbraw/zinc/42/27/60/387422760.db2.gz XGZFVGAHLILQNJ-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOc1cc(N)cc(CC)c1C(C)=O ZINC000575718112 387423251 /nfs/dbraw/zinc/42/32/51/387423251.db2.gz XOCQCBZLZRLYTM-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1ccc(CNc2ccncn2)cc1 ZINC000040862940 387500368 /nfs/dbraw/zinc/50/03/68/387500368.db2.gz KTRNCTBSRJBAFR-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1c(C)ccc(N)c1OC(F)(F)F ZINC000575728195 387468072 /nfs/dbraw/zinc/46/80/72/387468072.db2.gz AFOLCIYVUUMWIH-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COC(=O)c1ccc(C=O)c2ccccc12 ZINC000038524284 387468087 /nfs/dbraw/zinc/46/80/87/387468087.db2.gz RQODTKJVTXOAHI-UHFFFAOYSA-N 0 0 214.220 2.439 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C(C)(C)C1CCC1 ZINC000324641262 387488897 /nfs/dbraw/zinc/48/88/97/387488897.db2.gz XLNSGMUVUYLFRY-LLVKDONJSA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C(C)(C)C ZINC000324640267 387489574 /nfs/dbraw/zinc/48/95/74/387489574.db2.gz XAQVNROIFQKUCQ-IJLUTSLNSA-N 0 0 241.375 2.192 10 0 BEAERN CCCC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000035837368 387581452 /nfs/dbraw/zinc/58/14/52/387581452.db2.gz TZIRWAWPMKXSCF-RYUDHWBXSA-N 0 0 203.285 2.459 10 0 BEAERN Cc1cc(=O)[nH]cc1C(=O)NC1(C)CCCCC1 ZINC000123651405 387588246 /nfs/dbraw/zinc/58/82/46/387588246.db2.gz FPDWHQKFIUMWJM-UHFFFAOYSA-N 0 0 248.326 2.136 10 0 BEAERN O[C@H]1CC[C@@H]1Nc1ccsc1Cl ZINC000575540941 387590697 /nfs/dbraw/zinc/59/06/97/387590697.db2.gz HNTWJJHHJBPJGC-FSPLSTOPSA-N 0 0 203.694 2.337 10 0 BEAERN Cn1ccc(CNc2c(F)cc(F)cc2F)n1 ZINC000211683574 387596106 /nfs/dbraw/zinc/59/61/06/387596106.db2.gz SZPJISLMKOXONH-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN Cc1nnc(CN2CC[C@@H](C)[C@H](C)C2)n1C1CC1 ZINC000122809038 387605415 /nfs/dbraw/zinc/60/54/15/387605415.db2.gz RHZMMAZCVYKMRX-GHMZBOCLSA-N 0 0 248.374 2.399 10 0 BEAERN CC[C@H](C(=O)NC1CCC(CC)CC1)[NH+](C)C ZINC000124324970 387612797 /nfs/dbraw/zinc/61/27/97/387612797.db2.gz DDDDYKIWSFQZPG-WXRRBKDZSA-N 0 0 240.391 2.412 10 0 BEAERN Cc1cnc(CCN(C)C(=O)C2(C)CC2)s1 ZINC000124503651 387621753 /nfs/dbraw/zinc/62/17/53/387621753.db2.gz ICHBBUZHWKLPPD-UHFFFAOYSA-N 0 0 238.356 2.253 10 0 BEAERN CCN(C)C(=O)N1CCC12CCCCC2 ZINC000376328664 387623492 /nfs/dbraw/zinc/62/34/92/387623492.db2.gz URKASWXPEVJKHY-UHFFFAOYSA-N 0 0 210.321 2.467 10 0 BEAERN C/C=C/CNc1cnn(C)c1Br ZINC000575531389 387546425 /nfs/dbraw/zinc/54/64/25/387546425.db2.gz MKAJDTBAYPKZME-ONEGZZNKSA-N 0 0 230.109 2.171 10 0 BEAERN Cc1nc(-c2nsc(Cl)n2)[nH]c1C ZINC000575533359 387554393 /nfs/dbraw/zinc/55/43/93/387554393.db2.gz GDUYGGJWXFLFQJ-UHFFFAOYSA-N 0 0 214.681 2.198 10 0 BEAERN CCC[C@@H](C)C(=O)NCCCCCC(=O)OC ZINC000035250720 387560036 /nfs/dbraw/zinc/56/00/36/387560036.db2.gz ZPUAUFJUNSKTMG-LLVKDONJSA-N 0 0 243.347 2.272 10 0 BEAERN C[C@@H]1CC[C@H](Nc2cnns2)CS1 ZINC000575534998 387575457 /nfs/dbraw/zinc/57/54/57/387575457.db2.gz NTNVNYKBDXHJQD-RQJHMYQMSA-N 0 0 215.347 2.234 10 0 BEAERN Cc1ccc(CCC(=O)N2CCCO2)cc1 ZINC000125431835 387655957 /nfs/dbraw/zinc/65/59/57/387655957.db2.gz FJGSNSMBRZDWEM-UHFFFAOYSA-N 0 0 219.284 2.092 10 0 BEAERN O=C(c1cc(-c2ccccc2)on1)N1CCCO1 ZINC000125469946 387656935 /nfs/dbraw/zinc/65/69/35/387656935.db2.gz ACBGBUOUPFZDAR-UHFFFAOYSA-N 0 0 244.250 2.119 10 0 BEAERN C[C@H]1C(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447715 387686142 /nfs/dbraw/zinc/68/61/42/387686142.db2.gz MNYIQAQSZOMQSX-ZANVPECISA-N 0 0 239.315 2.223 10 0 BEAERN Cc1ccc(CCC(=O)NC[C@H](O)C(C)C)cc1 ZINC000126625516 387692139 /nfs/dbraw/zinc/69/21/39/387692139.db2.gz UURHWGYBFFJTQF-AWEZNQCLSA-N 0 0 249.354 2.061 10 0 BEAERN Cc1cc(C)cc(N2CC[C@@H](CO)C2)c1 ZINC000011892794 177905891 /nfs/dbraw/zinc/90/58/91/177905891.db2.gz NUPHAVPUBWLYCU-GFCCVEGCSA-N 0 0 205.301 2.122 10 0 BEAERN O=C(C1CCOCC1)N1CCC[C@H]1c1ccco1 ZINC000116040925 387756492 /nfs/dbraw/zinc/75/64/92/387756492.db2.gz DMKSUTPNLYWXPF-LBPRGKRZSA-N 0 0 249.310 2.370 10 0 BEAERN Nc1n[nH]c(-c2csc(Cl)c2)c1F ZINC000575574198 387753170 /nfs/dbraw/zinc/75/31/70/387753170.db2.gz LRKHGLYRYACXGZ-UHFFFAOYSA-N 0 0 217.656 2.343 10 0 BEAERN CS[C@H]1CC[C@@H]1Nc1nsnc1Cl ZINC000575558359 387699118 /nfs/dbraw/zinc/69/91/18/387699118.db2.gz CWGLUJDUNKDKBX-WHFBIAKZSA-N 0 0 235.765 2.497 10 0 BEAERN CCCC(CCC)C(=O)N1CC[C@@H](CCO)C1 ZINC000127017573 387702876 /nfs/dbraw/zinc/70/28/76/387702876.db2.gz OMKRWMQYOPOAKV-LBPRGKRZSA-N 0 0 241.375 2.434 10 0 BEAERN Nc1noc(-c2ccns2)c1Br ZINC000575562964 387703776 /nfs/dbraw/zinc/70/37/76/387703776.db2.gz HZQBEBPSSJBULO-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN CCC1(Nc2ccc(Br)nn2)CC1 ZINC000575563420 387704346 /nfs/dbraw/zinc/70/43/46/387704346.db2.gz LJGVOFVKDHZDMW-UHFFFAOYSA-N 0 0 242.120 2.016 10 0 BEAERN CCC[C@H](C)C(=O)N1CCCC[C@H](CO)C1 ZINC000377241687 387705311 /nfs/dbraw/zinc/70/53/11/387705311.db2.gz RCBHYMXQGXGHCT-RYUDHWBXSA-N 0 0 227.348 2.044 10 0 BEAERN CS[C@H]1CC[C@H]1Nc1ncc(N)s1 ZINC000575565106 387724906 /nfs/dbraw/zinc/72/49/06/387724906.db2.gz CQUBYDKRMQTGGJ-RITPCOANSA-N 0 0 215.347 2.031 10 0 BEAERN CC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000127786446 387725768 /nfs/dbraw/zinc/72/57/68/387725768.db2.gz CARSREGKXHANTA-NOZJJQNGSA-N 0 0 247.294 2.395 10 0 BEAERN Cc1cc([C@](C)(N)C(F)(F)F)sn1 ZINC000575569150 387729935 /nfs/dbraw/zinc/72/99/35/387729935.db2.gz GXUJQPPWQQNSHA-LURJTMIESA-N 0 0 210.224 2.188 10 0 BEAERN CCO[C@@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000128073269 387736105 /nfs/dbraw/zinc/73/61/05/387736105.db2.gz YCFMRJZWUZFTKU-JTQLQIEISA-N 0 0 227.348 2.496 10 0 BEAERN O=C(c1ncccc1O)N1C[C@@H]2CCCCC[C@H]21 ZINC000378086587 387762582 /nfs/dbraw/zinc/76/25/82/387762582.db2.gz PGXOHACVCPJLPU-WDEREUQCSA-N 0 0 246.310 2.192 10 0 BEAERN Cc1cc(C)cc(-n2nnc(CO)c2C(C)C)c1 ZINC000045892205 177890360 /nfs/dbraw/zinc/89/03/60/177890360.db2.gz KKTODMUKZWIGFY-UHFFFAOYSA-N 0 0 245.326 2.500 10 0 BEAERN Clc1cnc2c(c1Br)CCN2 ZINC000575624217 387812381 /nfs/dbraw/zinc/81/23/81/387812381.db2.gz SKXAZEHMETVGTJ-UHFFFAOYSA-N 0 0 233.496 2.121 10 0 BEAERN Cc1ccc(C(=O)Nc2nccs2)c(C)n1 ZINC000048370884 387781224 /nfs/dbraw/zinc/78/12/24/387781224.db2.gz NESLZHBSFVMHIF-UHFFFAOYSA-N 0 0 233.296 2.407 10 0 BEAERN O=Cc1cnc(OC(F)(F)F)cc1Cl ZINC000238529090 387873035 /nfs/dbraw/zinc/87/30/35/387873035.db2.gz NZSXQFOJZDSXDT-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN CCOc1cc(OC)c(OCC)cc1C#N ZINC000575638602 387832651 /nfs/dbraw/zinc/83/26/51/387832651.db2.gz SGYSGYFLHWKSHO-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN CCOc1ccc(C#N)c(OC(F)F)c1C=O ZINC000575638311 387833744 /nfs/dbraw/zinc/83/37/44/387833744.db2.gz GKZAKIIHNMCYDO-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1cc(CO)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575638262 387833801 /nfs/dbraw/zinc/83/38/01/387833801.db2.gz PIFJICOFKJMKOB-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1cc(CO)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575638364 387834133 /nfs/dbraw/zinc/83/41/33/387834133.db2.gz PYGYHKZAYBDDBA-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1c(C#N)cc(C=O)cc1OC(F)F ZINC000575638929 387834491 /nfs/dbraw/zinc/83/44/91/387834491.db2.gz LOYXZSONSBEZCD-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)c1c(N)ccc(OC)c1C(F)(F)F ZINC000575639539 387836840 /nfs/dbraw/zinc/83/68/40/387836840.db2.gz HYXVDJRZPLUNPR-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCc1cc(C(N)=O)c(C#N)cc1C(F)F ZINC000575639977 387838011 /nfs/dbraw/zinc/83/80/11/387838011.db2.gz CZIADZICZRBBKA-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COC(=O)c1cc(C)c(OC(F)(F)F)c(N)c1 ZINC000575640446 387839829 /nfs/dbraw/zinc/83/98/29/387839829.db2.gz MYJYABYIQVWRAB-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOc1ccc(C(F)F)c(C#N)c1CO ZINC000575640546 387839934 /nfs/dbraw/zinc/83/99/34/387839934.db2.gz HKLUJLQXLZUETA-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)c1c(C)cc(OC(F)(F)F)cc1N ZINC000575640833 387839956 /nfs/dbraw/zinc/83/99/56/387839956.db2.gz POULFZVDZWAOIR-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1c(N)cc(C)cc1OC(F)(F)F ZINC000575639753 387841358 /nfs/dbraw/zinc/84/13/58/387841358.db2.gz JXLWPIRKSORAPZ-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCc1cc(C(N)=O)c(C(F)F)cc1C#N ZINC000575641153 387841523 /nfs/dbraw/zinc/84/15/23/387841523.db2.gz LBFVJSOVNWWKMQ-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCOc1cc(CO)cc(CC)c1C#N ZINC000575642449 387842495 /nfs/dbraw/zinc/84/24/95/387842495.db2.gz CUTFMBFZJCEPQV-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1c(C#N)ccc(C(C)=O)c1F ZINC000575642427 387842633 /nfs/dbraw/zinc/84/26/33/387842633.db2.gz CFUKNNASNHFXLU-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN Cc1cc(OC(F)F)c(C#N)cc1C=O ZINC000575639659 387842781 /nfs/dbraw/zinc/84/27/81/387842781.db2.gz BERFBHUXAPLNAM-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN N#Cc1cc(F)c(C(F)F)c(CO)c1 ZINC000575642617 387844379 /nfs/dbraw/zinc/84/43/79/387844379.db2.gz FWSGPKMUHRWNDD-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN COC(=O)Cc1cc(N)c(C(F)(F)F)cc1C ZINC000575641867 387844739 /nfs/dbraw/zinc/84/47/39/387844739.db2.gz YOOITQGMRVVQPE-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1cc(C#N)c(F)c(C(C)=O)c1 ZINC000575642705 387845638 /nfs/dbraw/zinc/84/56/38/387845638.db2.gz HIDPOLLOEISYJW-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN N#CCc1cc(C=O)cc(C#N)c1OC(F)F ZINC000575641998 387846418 /nfs/dbraw/zinc/84/64/18/387846418.db2.gz ZZYLMVOHYRTWKI-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CC(=O)c1cc(O)cc(C#N)c1C(F)F ZINC000575642843 387864949 /nfs/dbraw/zinc/86/49/49/387864949.db2.gz JXNKWLTVYHLNSD-UHFFFAOYSA-N 0 0 211.167 2.404 10 0 BEAERN CCOc1cc(C#N)c(CC)cc1CO ZINC000575643044 387865868 /nfs/dbraw/zinc/86/58/68/387865868.db2.gz LIEDRSQTDDIZSS-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1c(F)cc(C#N)cc1C(C)=O ZINC000575643037 387866260 /nfs/dbraw/zinc/86/62/60/387866260.db2.gz LHBXYGQJPREAFJ-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCc1c(OC)cc(C#N)cc1C(C)=O ZINC000575643679 387869571 /nfs/dbraw/zinc/86/95/71/387869571.db2.gz BMZBQYJHXHGKCR-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1c(C#N)cc(CO)cc1CC ZINC000575644105 387870710 /nfs/dbraw/zinc/87/07/10/387870710.db2.gz VCPQKPNDUVRGFI-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1cc(CC)cc(C=O)c1C#N ZINC000575644031 387870882 /nfs/dbraw/zinc/87/08/82/387870882.db2.gz WJEZBDYADDNKOM-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1cc(OC(F)(F)F)c(CO)cc1F ZINC000575650167 387889768 /nfs/dbraw/zinc/88/97/68/387889768.db2.gz WUCCTTJEMLDAOT-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN N#Cc1cc(F)c(C=O)cc1OC(F)(F)F ZINC000575650565 387889793 /nfs/dbraw/zinc/88/97/93/387889793.db2.gz ZDKLFFBCMYNNQW-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN Fc1cccc(NCCC2=CCOCC2)n1 ZINC000158086688 387890055 /nfs/dbraw/zinc/89/00/55/387890055.db2.gz GPPUGOMFORWGIJ-UHFFFAOYSA-N 0 0 222.263 2.369 10 0 BEAERN N#Cc1c(C=O)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575651333 387891841 /nfs/dbraw/zinc/89/18/41/387891841.db2.gz YNJYPNIDOKAVHL-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCc1cc(C#N)c(C(N)=O)cc1C(F)(F)F ZINC000575650400 387892205 /nfs/dbraw/zinc/89/22/05/387892205.db2.gz WJUINVHNMDZOHU-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1cc(C#N)cc(C(N)=O)c1C(F)(F)F ZINC000575650851 387892265 /nfs/dbraw/zinc/89/22/65/387892265.db2.gz YVVIWKSQWBTGBA-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN N#Cc1cc(C(F)(F)F)c(C=O)cc1[N+](=O)[O-] ZINC000575650919 387892460 /nfs/dbraw/zinc/89/24/60/387892460.db2.gz UZGVADULJJEVKK-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN COc1cc(C=O)c(OC(F)(F)F)cc1C#N ZINC000575648184 387893310 /nfs/dbraw/zinc/89/33/10/387893310.db2.gz KZLKDWQEOBYFKD-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCc1c(OC(F)F)ccc(O)c1CO ZINC000575653234 387894105 /nfs/dbraw/zinc/89/41/05/387894105.db2.gz BYURSQOPIRFTTN-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1ccc(CO)c(F)c1OC(F)F ZINC000575653294 387894318 /nfs/dbraw/zinc/89/43/18/387894318.db2.gz DWUNRSIQFJEADW-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(O)c(C=O)c(OC(F)F)c1 ZINC000575653546 387896165 /nfs/dbraw/zinc/89/61/65/387896165.db2.gz JUVVIBZHMLSMED-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(OC(F)F)cc(F)c1CO ZINC000575653890 387896439 /nfs/dbraw/zinc/89/64/39/387896439.db2.gz QJQBNELQOKFRMY-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(F)c(CO)cc1OC(F)F ZINC000575654341 387897675 /nfs/dbraw/zinc/89/76/75/387897675.db2.gz ZIZBWSIYYTUKAH-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1ccc(F)c(OC(F)F)c1CO ZINC000575654260 387897944 /nfs/dbraw/zinc/89/79/44/387897944.db2.gz XPULCRLVPLSGIF-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN N#Cc1c(OC(F)(F)F)ccc(F)c1CO ZINC000575646096 387877990 /nfs/dbraw/zinc/87/79/90/387877990.db2.gz HLXGDKRENPDEMQ-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1c([N+](=O)[O-])ccc(C#N)c1C(C)=O ZINC000575647390 387881682 /nfs/dbraw/zinc/88/16/82/387881682.db2.gz LDYMYHXKBIZOAB-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN N#Cc1cc(F)c(C=O)c(OC(F)(F)F)c1 ZINC000575647415 387881897 /nfs/dbraw/zinc/88/18/97/387881897.db2.gz LHDVNDALWBJJHU-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCOc1cc(C(C)=O)cc([N+](=O)[O-])c1C#N ZINC000575647368 387882636 /nfs/dbraw/zinc/88/26/36/387882636.db2.gz HKHKMCBSEPDFMR-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN Cc1cc(C)c(N2CC[C@H](CO)C2)c(C)c1 ZINC000011892834 177864277 /nfs/dbraw/zinc/86/42/77/177864277.db2.gz XHDWBRXWMKKWJA-ZDUSSCGKSA-N 0 0 219.328 2.430 10 0 BEAERN CCOc1ccc(OCC)c([N+](=O)[O-])c1C#N ZINC000575648724 387885270 /nfs/dbraw/zinc/88/52/70/387885270.db2.gz IUTBTPICQKQVSD-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN N#CCc1cc(C#N)c(C=O)cc1C(F)(F)F ZINC000575649324 387886279 /nfs/dbraw/zinc/88/62/79/387886279.db2.gz UOBCCFRIILWJIH-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCOc1cc(C)c(C#N)c(C(C)=O)c1 ZINC000575649116 387886336 /nfs/dbraw/zinc/88/63/36/387886336.db2.gz PSYBALALZZTUCH-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN N#Cc1ccc(CO)c(OC(F)(F)F)c1F ZINC000575648978 387886801 /nfs/dbraw/zinc/88/68/01/387886801.db2.gz SARVKWNSBZENGN-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1cc(C(N)=O)c(C(F)(F)F)cc1C#N ZINC000575649730 387887812 /nfs/dbraw/zinc/88/78/12/387887812.db2.gz STAZWFVCUXAGCL-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN COc1c(C=O)cc(C#N)cc1OC(F)(F)F ZINC000575649697 387888022 /nfs/dbraw/zinc/88/80/22/387888022.db2.gz RDBCMDCMJFRTOB-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN COc1cc(C=O)cc(C#N)c1OC(F)(F)F ZINC000575649934 387888066 /nfs/dbraw/zinc/88/80/66/387888066.db2.gz UKYTUTYTRIEZHE-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN COc1c(C#N)ccc(C(F)(F)F)c1C=O ZINC000575649914 387888229 /nfs/dbraw/zinc/88/82/29/387888229.db2.gz UEJGMPDBKXMIIW-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN COc1cc(OC(F)(F)F)c(C=O)cc1C#N ZINC000575649523 387888484 /nfs/dbraw/zinc/88/84/84/387888484.db2.gz QLTZDAZLRMLYED-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CC(C)n1nnnc1CN([C@H](C)C1CC1)C1CC1 ZINC000195068296 387905067 /nfs/dbraw/zinc/90/50/67/387905067.db2.gz MOJNVSIMLRRVKD-SNVBAGLBSA-N 0 0 249.362 2.017 10 0 BEAERN CCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195373772 387912534 /nfs/dbraw/zinc/91/25/34/387912534.db2.gz UTWIDGSXWCWNIK-SECBINFHSA-N 0 0 209.293 2.350 10 0 BEAERN O=C(C[C@@H]1CC1(Cl)Cl)NC1CCC1 ZINC000306365730 387915348 /nfs/dbraw/zinc/91/53/48/387915348.db2.gz FHPSIMOIAGZZHF-ZCFIWIBFSA-N 0 0 222.115 2.239 10 0 BEAERN Nc1cnc(-c2ccsc2Cl)cn1 ZINC000306365684 387916063 /nfs/dbraw/zinc/91/60/63/387916063.db2.gz BUZMBUGLRMMPEA-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CC(C)[C@H](Nc1ccc(Cl)cc1)C(N)=O ZINC000041041991 387933343 /nfs/dbraw/zinc/93/33/43/387933343.db2.gz JPBWJJYTZUGJQV-JTQLQIEISA-N 0 0 226.707 2.262 10 0 BEAERN CCCCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195328318 387920415 /nfs/dbraw/zinc/92/04/15/387920415.db2.gz URLFXHAOXNCPAG-ZDUSSCGKSA-N 0 0 238.375 2.263 10 0 BEAERN C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)c1nc[nH]n1 ZINC000225059960 387940680 /nfs/dbraw/zinc/94/06/80/387940680.db2.gz HWMPAKKHTQDCKP-DTWKUNHWSA-N 0 0 238.335 2.054 10 0 BEAERN CNC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000045637033 387990158 /nfs/dbraw/zinc/99/01/58/387990158.db2.gz RSDIRWYCIWUNON-GMTAPVOTSA-N 0 0 212.337 2.376 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2CCC2)O1 ZINC000245961503 387997455 /nfs/dbraw/zinc/99/74/55/387997455.db2.gz CWLOEVOYKUBMDL-KGYLQXTDSA-N 0 0 237.343 2.345 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)O1 ZINC000246010104 388002721 /nfs/dbraw/zinc/00/27/21/388002721.db2.gz KXTCMMBNCHEHJD-FHUSYTEZSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000246013234 388002943 /nfs/dbraw/zinc/00/29/43/388002943.db2.gz LKJMZSSQCMWWTR-CKYFFXLPSA-N 0 0 225.332 2.249 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246040254 388004072 /nfs/dbraw/zinc/00/40/72/388004072.db2.gz OUUQKUILBTYTCR-UTUOFQBUSA-N 0 0 225.332 2.345 10 0 BEAERN CCC1CCC(NC(=O)N[C@H]2CCOC2)CC1 ZINC000159269680 388005331 /nfs/dbraw/zinc/00/53/31/388005331.db2.gz MJLXOMRFBAHVEN-MCIGGMRASA-N 0 0 240.347 2.043 10 0 BEAERN CC[C@H](C)CN(CC)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246077671 388007030 /nfs/dbraw/zinc/00/70/30/388007030.db2.gz SXUWZOXEKZPUGL-TUAOUCFPSA-N 0 0 227.348 2.449 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000246125176 388012826 /nfs/dbraw/zinc/01/28/26/388012826.db2.gz YZDNFGUHENDDQP-FRRDWIJNSA-N 0 0 239.359 2.449 10 0 BEAERN C/C=C\CSCc1nnc(CC)n1C ZINC000255511563 135129890 /nfs/dbraw/zinc/12/98/90/135129890.db2.gz PWFDAUZMMBXTOH-XQRVVYSFSA-N 0 0 211.334 2.187 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000246209691 388021537 /nfs/dbraw/zinc/02/15/37/388021537.db2.gz NTVHDBFCVUPBGT-WXHSDQCUSA-N 0 0 245.326 2.337 10 0 BEAERN CS[C@@H](C)CC(=O)N[C@H](C)C(C)C ZINC000156675193 388022166 /nfs/dbraw/zinc/02/21/66/388022166.db2.gz GHJVFALBDXZLLK-DTWKUNHWSA-N 0 0 203.351 2.289 10 0 BEAERN C[C@@H](Nc1nc(C2CC2)ns1)[C@@H]1CCCO1 ZINC000083653102 388057631 /nfs/dbraw/zinc/05/76/31/388057631.db2.gz PJJTWRYRIHYLDZ-APPZFPTMSA-N 0 0 239.344 2.395 10 0 BEAERN C[C@@H]([NH2+]Cc1ccncc1Cl)[C@@H]1CCCO1 ZINC000084084767 388069749 /nfs/dbraw/zinc/06/97/49/388069749.db2.gz FSXCKJDYDANUGC-SKDRFNHKSA-N 0 0 240.734 2.392 10 0 BEAERN CC(C)(C)c1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000071558935 388098942 /nfs/dbraw/zinc/09/89/42/388098942.db2.gz GKVVLZVEHCXYKH-UHFFFAOYSA-N 0 0 244.294 2.028 10 0 BEAERN CC[C@](O)(c1cccs1)[C@H]1CCOC1 ZINC000306667679 388112207 /nfs/dbraw/zinc/11/22/07/388112207.db2.gz JQOQYJJTBKQDTO-GXSJLCMTSA-N 0 0 212.314 2.382 10 0 BEAERN Cc1ccncc1N[C@H](C)[C@H]1CCOC1 ZINC000162946304 388254911 /nfs/dbraw/zinc/25/49/11/388254911.db2.gz VMXLNZHIMYDRKN-MNOVXSKESA-N 0 0 206.289 2.227 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC1(C)C ZINC000131411394 388344936 /nfs/dbraw/zinc/34/49/36/388344936.db2.gz KOLJKZHPCFCAIF-GMTAPVOTSA-N 0 0 240.347 2.042 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)nn1 ZINC000233304653 388345468 /nfs/dbraw/zinc/34/54/68/388345468.db2.gz ILQNOEQWMXWHRS-VXNVDRBHSA-N 0 0 239.706 2.048 10 0 BEAERN CC(C)(C(=O)NC[C@H]1CCC[C@H]1O)C1CCC1 ZINC000322216822 388355325 /nfs/dbraw/zinc/35/53/25/388355325.db2.gz RUCJFTSPLDMOHX-ZYHUDNBSSA-N 0 0 239.359 2.090 10 0 BEAERN CC[C@H](C)Nc1nc(F)ncc1Br ZINC000575519061 388356511 /nfs/dbraw/zinc/35/65/11/388356511.db2.gz DPHJKDUPVRGPDI-YFKPBYRVSA-N 0 0 248.099 2.011 10 0 BEAERN Nc1noc([C@H]2C[C@@H]2C2CC2)c1Br ZINC000575521964 388358217 /nfs/dbraw/zinc/35/82/17/388358217.db2.gz UUVCISASDKYZSD-RITPCOANSA-N 0 0 243.104 2.363 10 0 BEAERN CCn1ccnc1CS[C@@H]1CCO[C@H]1C ZINC000163362220 388360512 /nfs/dbraw/zinc/36/05/12/388360512.db2.gz LCLGFOMACGDBHN-VHSXEESVSA-N 0 0 226.345 2.314 10 0 BEAERN CO[C@H]1CCC[C@@H]1OC(=O)c1scnc1C ZINC000076090351 388374505 /nfs/dbraw/zinc/37/45/05/388374505.db2.gz OLGZPYIHYNIOPD-IUCAKERBSA-N 0 0 241.312 2.176 10 0 BEAERN C[C@H]1CN(C(=O)N(C)C)c2ccc(F)cc2O1 ZINC000174013358 388378406 /nfs/dbraw/zinc/37/84/06/388378406.db2.gz AREGEBJZPJUFIR-QMMMGPOBSA-N 0 0 238.262 2.095 10 0 BEAERN CC(C)[C@H](O)[C@@H]1SCCS[C@@H]1C ZINC000228084604 388378427 /nfs/dbraw/zinc/37/84/27/388378427.db2.gz ZXBJLYOYIIDSDN-HRDYMLBCSA-N 0 0 206.376 2.240 10 0 BEAERN C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000294972915 388406828 /nfs/dbraw/zinc/40/68/28/388406828.db2.gz JFRHFBRCQDLBEI-RNCFNFMXSA-N 0 0 241.281 2.310 10 0 BEAERN C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1F ZINC000294685713 388403597 /nfs/dbraw/zinc/40/35/97/388403597.db2.gz AEYKCGNAIQHORE-MFKMUULPSA-N 0 0 223.291 2.171 10 0 BEAERN CCCCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175745093 388439975 /nfs/dbraw/zinc/43/99/75/388439975.db2.gz NQGJACSOKWJGHD-SNVBAGLBSA-N 0 0 243.347 2.365 10 0 BEAERN CCC(C)(C)OCCNC(=O)OC(C)C ZINC000308572732 388442859 /nfs/dbraw/zinc/44/28/59/388442859.db2.gz PDGRYBOWSAZCNY-UHFFFAOYSA-N 0 0 217.309 2.326 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000335385148 388450104 /nfs/dbraw/zinc/45/01/04/388450104.db2.gz VAUIREQSUPKOHV-GHMZBOCLSA-N 0 0 241.375 2.288 10 0 BEAERN Cc1cc(CC(=O)N[C@H](C)c2cccs2)n[nH]1 ZINC000176171685 388450575 /nfs/dbraw/zinc/45/05/75/388450575.db2.gz VSIVVIFBDVFTHG-SECBINFHSA-N 0 0 249.339 2.200 10 0 BEAERN CCn1c(C)nnc1CN(C)CCC(C)C ZINC000195095043 388459220 /nfs/dbraw/zinc/45/92/20/388459220.db2.gz TZAWJYXMEBRNMR-UHFFFAOYSA-N 0 0 224.352 2.084 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000181846203 388469389 /nfs/dbraw/zinc/46/93/89/388469389.db2.gz OMDSPAWHVAJHQT-GHMZBOCLSA-N 0 0 249.314 2.031 10 0 BEAERN Cc1ccc(S(=O)(=O)NCCCCF)cc1 ZINC000034571007 388473411 /nfs/dbraw/zinc/47/34/11/388473411.db2.gz BBRQUJXVGDORQP-UHFFFAOYSA-N 0 0 245.319 2.023 10 0 BEAERN CC(C)c1nsc(N[C@H]2CCO[C@@H]2C)n1 ZINC000134569087 388476945 /nfs/dbraw/zinc/47/69/45/388476945.db2.gz ZDJYXIJMEOIOHV-SFYZADRCSA-N 0 0 227.333 2.251 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1cccnc1Cl ZINC000295120595 388408935 /nfs/dbraw/zinc/40/89/35/388408935.db2.gz XHFOKOBEESMPQS-KOLCDFICSA-N 0 0 240.734 2.080 10 0 BEAERN Brc1ccoc1CNC1CC1 ZINC000069049576 388412913 /nfs/dbraw/zinc/41/29/13/388412913.db2.gz AWMNNKHDNKRFMJ-UHFFFAOYSA-N 0 0 216.078 2.294 10 0 BEAERN Cc1n[nH]c(C)c1NCc1cscn1 ZINC000040504158 388418555 /nfs/dbraw/zinc/41/85/55/388418555.db2.gz XTSXBPPOVJPMCF-UHFFFAOYSA-N 0 0 208.290 2.095 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1ncccc1Cl ZINC000528527796 388544126 /nfs/dbraw/zinc/54/41/26/388544126.db2.gz QHGHEIGSBCPBRZ-UWVGGRQHSA-N 0 0 240.734 2.080 10 0 BEAERN Cc1nocc1CN[C@H](C)c1cncc(F)c1 ZINC000339347370 388482061 /nfs/dbraw/zinc/48/20/61/388482061.db2.gz XDFZPFSKICFRIY-MRVPVSSYSA-N 0 0 235.262 2.368 10 0 BEAERN CC[C@H](C)CN(CC)C(=O)[C@H](C)COC ZINC000177983924 388494278 /nfs/dbraw/zinc/49/42/78/388494278.db2.gz JFTKLYNVRFDKFF-WDEREUQCSA-N 0 0 215.337 2.164 10 0 BEAERN CC(C)(CC(=O)N1CC[C@H](CCO)C1)C1CC1 ZINC000343207947 388500046 /nfs/dbraw/zinc/50/00/46/388500046.db2.gz BODUSNHHFLBVRN-LLVKDONJSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H](O)CCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000135599573 388503146 /nfs/dbraw/zinc/50/31/46/388503146.db2.gz CDWGJKKGLDUMLU-YUTCNCBUSA-N 0 0 247.338 2.019 10 0 BEAERN O=C(N[C@@H]1CCOC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000179045799 388510330 /nfs/dbraw/zinc/51/03/30/388510330.db2.gz IKDZQCHKOMMDNB-UPJWGTAASA-N 0 0 237.343 2.108 10 0 BEAERN COC(=O)/C=C/c1ccc(Br)nc1 ZINC000090512689 388590835 /nfs/dbraw/zinc/59/08/35/388590835.db2.gz YURUVQCOYDKFPM-HWKANZROSA-N 0 0 242.072 2.030 10 0 BEAERN CCc1c(C)nc(CSC)nc1NC ZINC000054497188 388594224 /nfs/dbraw/zinc/59/42/24/388594224.db2.gz AJIXHABRIRGLCQ-UHFFFAOYSA-N 0 0 211.334 2.252 10 0 BEAERN CC(C)(C)OC(=O)n1ccnc1Br ZINC000200904879 388611233 /nfs/dbraw/zinc/61/12/33/388611233.db2.gz PWYKQUCAFBSQLH-UHFFFAOYSA-N 0 0 247.092 2.429 10 0 BEAERN CCc1cnccc1C(=O)N(C)c1nccs1 ZINC000137015948 388555072 /nfs/dbraw/zinc/55/50/72/388555072.db2.gz YLRIDLCCWLBBEP-UHFFFAOYSA-N 0 0 247.323 2.377 10 0 BEAERN Cc1cc(C)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000175672499 388562139 /nfs/dbraw/zinc/56/21/39/388562139.db2.gz RTCNNTKRVPTWQZ-GHMZBOCLSA-N 0 0 237.299 2.146 10 0 BEAERN C/C(=C\c1c[nH]c2ccccc12)C(N)=O ZINC000103271112 388582685 /nfs/dbraw/zinc/58/26/85/388582685.db2.gz UOHZBQJJEVKYEZ-SOFGYWHQSA-N 0 0 200.241 2.057 10 0 BEAERN CCCC(=O)N(C)[C@H](C)[C@H](O)c1ccccc1 ZINC000078523315 388584959 /nfs/dbraw/zinc/58/49/59/388584959.db2.gz LNGNWIKSPQYEPK-RISCZKNCSA-N 0 0 235.327 2.367 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1cc(OC)ncn1 ZINC000126019403 388686398 /nfs/dbraw/zinc/68/63/98/388686398.db2.gz ISWATPLEQAIHNK-RKDXNWHRSA-N 0 0 207.277 2.086 10 0 BEAERN Cc1ccc2c(c1)N(C(=O)N(C)C)C[C@@H](C)O2 ZINC000175770058 388633406 /nfs/dbraw/zinc/63/34/06/388633406.db2.gz NFGILIDQVKVLJE-SNVBAGLBSA-N 0 0 234.299 2.264 10 0 BEAERN CC[C@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000192846252 388686994 /nfs/dbraw/zinc/68/69/94/388686994.db2.gz MHYHQPNRNSINMY-AAEUAGOBSA-N 0 0 237.347 2.075 10 0 BEAERN Nc1nnc([C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000127064022 388699586 /nfs/dbraw/zinc/69/95/86/388699586.db2.gz QEQKYXFPSIPUJU-PHDIDXHHSA-N 0 0 235.209 2.488 10 0 BEAERN Nc1nnc([C@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000129485928 388699734 /nfs/dbraw/zinc/69/97/34/388699734.db2.gz SOPMGZYDIAZLBQ-WDSKDSINSA-N 0 0 235.209 2.488 10 0 BEAERN O=c1[nH]oc2ccc(C(F)(F)F)cc12 ZINC000257863500 388700234 /nfs/dbraw/zinc/70/02/34/388700234.db2.gz PCBRBRQZDADZQE-UHFFFAOYSA-N 0 0 203.119 2.140 10 0 BEAERN CCN(C[C@@H]1CCCO1)C(=O)OC(C)C ZINC000127068298 388713653 /nfs/dbraw/zinc/71/36/53/388713653.db2.gz URGVXHFIOUDBBR-JTQLQIEISA-N 0 0 215.293 2.032 10 0 BEAERN CCN(CC(C)C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000194130973 388724130 /nfs/dbraw/zinc/72/41/30/388724130.db2.gz QFJZXJPKPIZYOV-VXGBXAGGSA-N 0 0 242.363 2.241 10 0 BEAERN Fc1ccnc(-c2ncc(Cl)s2)n1 ZINC000575449500 388731059 /nfs/dbraw/zinc/73/10/59/388731059.db2.gz QAUVBAGHEWEVIN-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN FC1(F)CC(Nc2nsnc2Cl)C1 ZINC000575449652 388731792 /nfs/dbraw/zinc/73/17/92/388731792.db2.gz LAIDNNFRZMZJBJ-UHFFFAOYSA-N 0 0 225.651 2.401 10 0 BEAERN C[C@@](O)(c1cccnc1Br)C1CC1 ZINC000575449880 388732538 /nfs/dbraw/zinc/73/25/38/388732538.db2.gz USRIHKSIYXMIIR-JTQLQIEISA-N 0 0 242.116 2.462 10 0 BEAERN Cc1nc2ccccc2nc1NCC1CC(O)C1 ZINC000091525666 388765264 /nfs/dbraw/zinc/76/52/64/388765264.db2.gz WGLHXBDGYNQMKC-UHFFFAOYSA-N 0 0 243.310 2.121 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC000230182918 388819533 /nfs/dbraw/zinc/81/95/33/388819533.db2.gz CWSNSFGHLDBPMB-IONNQARKSA-N 0 0 207.277 2.093 10 0 BEAERN Cc1cc(-n2nnc(CO)c2C(C)C)ccc1F ZINC000045892825 177696773 /nfs/dbraw/zinc/69/67/73/177696773.db2.gz FPJQMNQBQLRXDZ-UHFFFAOYSA-N 0 0 249.289 2.331 10 0 BEAERN Cc1c(CO)nnn1-c1ccc(Cl)c(C)c1 ZINC000229015691 177696560 /nfs/dbraw/zinc/69/65/60/177696560.db2.gz URKVTNXNROLMKU-UHFFFAOYSA-N 0 0 237.690 2.030 10 0 BEAERN CNc1cc2cc(C(=O)OC)ccc2n1C ZINC000090513465 388827965 /nfs/dbraw/zinc/82/79/65/388827965.db2.gz HVKGGQKLTBJXJS-UHFFFAOYSA-N 0 0 218.256 2.007 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccccc1O ZINC000231694933 388841550 /nfs/dbraw/zinc/84/15/50/388841550.db2.gz SKXWCQOPFHIKRZ-GXSJLCMTSA-N 0 0 219.284 2.311 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)OCC(F)(F)F ZINC000231694526 388841822 /nfs/dbraw/zinc/84/18/22/388841822.db2.gz HTVKEIKGORHVLS-NKWVEPMBSA-N 0 0 225.210 2.464 10 0 BEAERN COc1ncccc1NC(=O)CCCSC ZINC000129652367 388860956 /nfs/dbraw/zinc/86/09/56/388860956.db2.gz BDFKWAZWZZIZHI-UHFFFAOYSA-N 0 0 240.328 2.172 10 0 BEAERN c1coc([C@@H]2C[C@H]2c2nc([C@H]3CCOC3)no2)c1 ZINC000299748537 388845912 /nfs/dbraw/zinc/84/59/12/388845912.db2.gz HJWISZOXQFEANZ-IVZWLZJFSA-N 0 0 246.266 2.438 10 0 BEAERN COC(=O)Cc1cc(C)ncc1OC(F)(F)F ZINC000575375048 388883283 /nfs/dbraw/zinc/88/32/83/388883283.db2.gz JNDGDSUHKPTZHI-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cnc(OC(F)(F)F)cc1C ZINC000575375137 388883459 /nfs/dbraw/zinc/88/34/59/388883459.db2.gz QCGBYUIIKBOYKW-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1F ZINC000288895645 388943170 /nfs/dbraw/zinc/94/31/70/388943170.db2.gz NKXUIJDKUUOSMQ-HQJQHLMTSA-N 0 0 243.303 2.050 10 0 BEAERN O=C1CO[C@@H](c2ccccc2Br)C1 ZINC000575502093 388990406 /nfs/dbraw/zinc/99/04/06/388990406.db2.gz MZFXXFNTGHSZIH-SNVBAGLBSA-N 0 0 241.084 2.480 10 0 BEAERN Cn1nc(-c2occc2Br)cc1N ZINC000575508275 388994295 /nfs/dbraw/zinc/99/42/95/388994295.db2.gz PKYZIIAQCLRTFG-UHFFFAOYSA-N 0 0 242.076 2.025 10 0 BEAERN Cc1c([C@H](C)O)cnn1-c1nc2ccccc2[nH]1 ZINC000072415603 177634545 /nfs/dbraw/zinc/63/45/45/177634545.db2.gz MHDDSZLPZRINSX-VIFPVBQESA-N 0 0 242.282 2.110 10 0 BEAERN Cc1nnc([C@H](C)Nc2ncc(C)c(C)n2)s1 ZINC000273435103 389041392 /nfs/dbraw/zinc/04/13/92/389041392.db2.gz ADWACHUZJPAORP-QMMMGPOBSA-N 0 0 249.343 2.426 10 0 BEAERN Cc1nc(Cl)nc(N2CCCCC2)c1N ZINC000004243308 132316329 /nfs/dbraw/zinc/31/63/29/132316329.db2.gz NESVDSAFYZNVHG-UHFFFAOYSA-N 0 0 226.711 2.011 10 0 BEAERN CCN(C)C(=O)Nc1ccc(C)c(O)c1 ZINC000085967167 169685304 /nfs/dbraw/zinc/68/53/04/169685304.db2.gz FHIANDJRZUBUPE-UHFFFAOYSA-N 0 0 208.261 2.184 10 0 BEAERN CC[C@@H]1NN(c2ccccc2)C(=N)S1 ZINC000039101215 171151043 /nfs/dbraw/zinc/15/10/43/171151043.db2.gz WEXLJMFSFPYZKB-SECBINFHSA-N 0 0 207.302 2.415 10 0 BEAERN CC[C@@H]1OC(=O)c2c1ccc(OC)c2O ZINC000040980422 171151151 /nfs/dbraw/zinc/15/11/51/171151151.db2.gz CJPMLOYFDLJAKU-ZETCQYMHSA-N 0 0 208.213 2.022 10 0 BEAERN CCCN(CCO)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000109028783 322816666 /nfs/dbraw/zinc/81/66/66/322816666.db2.gz LHXUZPZXYVDWOY-KGLIPLIRSA-N 0 0 247.338 2.021 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@](C)(O)CO ZINC000252370200 322817046 /nfs/dbraw/zinc/81/70/46/322817046.db2.gz XCNCWOPROFTLGU-SYQHCUMBSA-N 0 0 244.375 2.207 10 0 endogenous,in-man BEAERN C[C@@H](NC(=O)C1C(C)(C)C1(C)C)[C@@H]1CCCO1 ZINC000173935542 322818731 /nfs/dbraw/zinc/81/87/31/322818731.db2.gz DTXGDEVKXZDROX-ZJUUUORDSA-N 0 0 239.359 2.352 10 0 BEAERN CCC(=O)NCc1csc(C2CC2)n1 ZINC000069751727 168235143 /nfs/dbraw/zinc/23/51/43/168235143.db2.gz ITHQCHBSWPKGJA-UHFFFAOYSA-N 0 0 210.302 2.047 10 0 BEAERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)O ZINC000307203540 533622630 /nfs/dbraw/zinc/62/26/30/533622630.db2.gz FBDBUQWAAYRPBZ-JOYOIKCWSA-N 0 0 229.320 2.014 10 0 BEAERN CC(C)CCCNc1cc(C(N)=O)ccc1N ZINC000103963429 166817450 /nfs/dbraw/zinc/81/74/50/166817450.db2.gz ZRNXNDXTDFFQOR-UHFFFAOYSA-N 0 0 235.331 2.216 10 0 BEAERN CCCC(=O)N1CCCc2c(N)cccc21 ZINC000134226365 132238472 /nfs/dbraw/zinc/23/84/72/132238472.db2.gz VHPBLPZKBDMYTG-UHFFFAOYSA-N 0 0 218.300 2.348 10 0 BEAERN CCOC(=O)CCN1CCCc2ccccc21 ZINC000005393390 132308847 /nfs/dbraw/zinc/30/88/47/132308847.db2.gz UQTRTMXJQONODA-UHFFFAOYSA-N 0 0 233.311 2.392 10 0 BEAERN COC(=O)[C@@H]1CCCCN1c1ccccc1C=O ZINC000090513552 132311611 /nfs/dbraw/zinc/31/16/11/132311611.db2.gz ZQYFQTPETWZEOS-ZDUSSCGKSA-N 0 0 247.294 2.031 10 0 BEAERN CCCCN1c2ccc(N)cc2O[C@@H](C)C1=O ZINC000011568859 132319631 /nfs/dbraw/zinc/31/96/31/132319631.db2.gz YJWLSMWDMMEHMM-VIFPVBQESA-N 0 0 234.299 2.183 10 0 BEAERN Nc1cc(Cl)ccc1N1CCCCC1=O ZINC000019415066 132324549 /nfs/dbraw/zinc/32/45/49/132324549.db2.gz YHMQDSQWIPVRAR-UHFFFAOYSA-N 0 0 224.691 2.439 10 0 BEAERN O=C1CCN(c2ccc(F)c(F)c2F)CC1 ZINC000019506041 132325774 /nfs/dbraw/zinc/32/57/74/132325774.db2.gz ZIFXDXXQHDECRP-UHFFFAOYSA-N 0 0 229.201 2.273 10 0 BEAERN O=C1CCN(c2ccc3ccccc3n2)CC1 ZINC000019515051 132326040 /nfs/dbraw/zinc/32/60/40/132326040.db2.gz AYDUHLNHOIIZLE-UHFFFAOYSA-N 0 0 226.279 2.404 10 0 BEAERN CCN1CCN(c2ccccc2C(C)=O)CC1 ZINC000019871148 132328205 /nfs/dbraw/zinc/32/82/05/132328205.db2.gz VIEJDBOYRCECQS-UHFFFAOYSA-N 0 0 232.327 2.031 10 0 BEAERN O=Cc1c(Cl)cccc1N1CCC(O)CC1 ZINC000020079114 132329959 /nfs/dbraw/zinc/32/99/59/132329959.db2.gz SFRLFZKWDKUMNW-UHFFFAOYSA-N 0 0 239.702 2.114 10 0 BEAERN C[C@H]1COCCN1c1ccc(N)c2cccnc21 ZINC000035774261 132339134 /nfs/dbraw/zinc/33/91/34/132339134.db2.gz QVLQGAZRRJVAKP-JTQLQIEISA-N 0 0 243.310 2.042 10 0 BEAERN C[C@@H](O)c1c(F)cccc1N1CCOC[C@@H]1C ZINC000035777323 132339385 /nfs/dbraw/zinc/33/93/85/132339385.db2.gz JFCQMUMAJFKNNZ-VHSXEESVSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2N)[C@H](C)CO1 ZINC000035783781 132339574 /nfs/dbraw/zinc/33/95/74/132339574.db2.gz QWRGOTXXKMFRAT-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN Cc1ccc(N2C[C@H](C)OC[C@@H]2C)c(N)c1 ZINC000035783744 132339700 /nfs/dbraw/zinc/33/97/00/132339700.db2.gz UAEXTEVKEXPSJF-QWRGUYRKSA-N 0 0 220.316 2.191 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1ccc(N)cc1F ZINC000036131924 132340074 /nfs/dbraw/zinc/34/00/74/132340074.db2.gz VKAUQLUOXBEEPP-MWLCHTKSSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@H]1CCCN(c2ccc(N)cn2)C1 ZINC000036168907 132340350 /nfs/dbraw/zinc/34/03/50/132340350.db2.gz WVULPOFEYJOZNC-JTQLQIEISA-N 0 0 205.305 2.290 10 0 BEAERN Cc1cc(N)cnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000036241542 132341469 /nfs/dbraw/zinc/34/14/69/132341469.db2.gz TVGXSMZCYQDABS-NXEZZACHSA-N 0 0 219.332 2.455 10 0 BEAERN CCOc1nc(N2CCCC[C@@H]2C)ccc1N ZINC000037066282 132343361 /nfs/dbraw/zinc/34/33/61/132343361.db2.gz HTPXLVMNQVKZGX-JTQLQIEISA-N 0 0 235.331 2.441 10 0 BEAERN CCOc1nc(N2CCCC[C@H]2C)ccc1N ZINC000037066283 132343474 /nfs/dbraw/zinc/34/34/74/132343474.db2.gz HTPXLVMNQVKZGX-SNVBAGLBSA-N 0 0 235.331 2.441 10 0 BEAERN COc1ccc2c(c1)CCC(=S)N2C ZINC000039124972 132346638 /nfs/dbraw/zinc/34/66/38/132346638.db2.gz AWEHROIRZKFBJM-UHFFFAOYSA-N 0 0 207.298 2.405 10 0 BEAERN OC1CCN(c2ccccc2Cl)CC1 ZINC000039149609 132346663 /nfs/dbraw/zinc/34/66/63/132346663.db2.gz MRWAAYQOKNDRST-UHFFFAOYSA-N 0 0 211.692 2.301 10 0 BEAERN OC[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000040412416 132347322 /nfs/dbraw/zinc/34/73/22/132347322.db2.gz PIIJCSQQCIGIRH-LBPRGKRZSA-N 0 0 242.322 2.444 10 0 BEAERN CC1(C)COCCN1c1cccc(F)c1N ZINC000042461719 132352158 /nfs/dbraw/zinc/35/21/58/132352158.db2.gz FRTROIWXMUOMFR-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN CC1(C)COCCN1c1cc(N)cc(F)c1 ZINC000042461721 132352260 /nfs/dbraw/zinc/35/22/60/132352260.db2.gz YYBULPKPZQTETE-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1ccc2c(c1)N1CCCC[C@H]1C(=O)N2 ZINC000043016098 132352836 /nfs/dbraw/zinc/35/28/36/132352836.db2.gz OFRGWIYIDHMBQQ-NSHDSACASA-N 0 0 216.284 2.306 10 0 BEAERN COc1cc(F)ccc1N1CCC(=O)[C@@H](C)C1 ZINC000049693913 132356529 /nfs/dbraw/zinc/35/65/29/132356529.db2.gz IGIMFWXVHCCVGP-VIFPVBQESA-N 0 0 237.274 2.250 10 0 BEAERN C[C@@H]1CCCN(c2ccc(N)nc2)[C@@H]1C ZINC000050564062 132359133 /nfs/dbraw/zinc/35/91/33/132359133.db2.gz NMTMZPHBNKKYPY-NXEZZACHSA-N 0 0 205.305 2.289 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1ccc(CO)c(C)c1 ZINC000050583039 132359270 /nfs/dbraw/zinc/35/92/70/132359270.db2.gz WGITZRDXDDMHQI-TZMCWYRMSA-N 0 0 249.354 2.491 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N1CCCc2ccc(N)cc21 ZINC000051296288 132359731 /nfs/dbraw/zinc/35/97/31/132359731.db2.gz ZYAXJGZIUVWSPO-SKDRFNHKSA-N 0 0 230.311 2.204 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1cc(F)ccc1N ZINC000052120560 132361968 /nfs/dbraw/zinc/36/19/68/132361968.db2.gz WKEHZLRLECKRJZ-ONGXEEELSA-N 0 0 238.306 2.412 10 0 BEAERN CC1(C)COCCN1c1cc(F)ccc1N ZINC000052121221 132362030 /nfs/dbraw/zinc/36/20/30/132362030.db2.gz DNNSWUJUYPUILV-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN CCO[C@H]1CCCN(c2cc(F)ccc2N)C1 ZINC000052121871 132362062 /nfs/dbraw/zinc/36/20/62/132362062.db2.gz YZTRWONMLLEPMV-NSHDSACASA-N 0 0 238.306 2.413 10 0 BEAERN C[C@H]1CCCCN1c1ccc(CO)cc1N ZINC000058825344 132368491 /nfs/dbraw/zinc/36/84/91/132368491.db2.gz UHFDZVJCFJVDNA-JTQLQIEISA-N 0 0 220.316 2.140 10 0 BEAERN CCC1CCN(c2ncnc(Cl)c2N)CC1 ZINC000062363193 132387618 /nfs/dbraw/zinc/38/76/18/132387618.db2.gz HWXRNJCVEYEJGM-UHFFFAOYSA-N 0 0 240.738 2.339 10 0 BEAERN COc1ccc2c(c1)CC=C(OC)N2CC(C)=O ZINC000087493017 132427044 /nfs/dbraw/zinc/42/70/44/132427044.db2.gz XSXMSEQOHNNMDC-UHFFFAOYSA-N 0 0 247.294 2.135 10 0 BEAERN COC(=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000095830209 132430696 /nfs/dbraw/zinc/43/06/96/132430696.db2.gz FKVGADHSGFKPLT-NSHDSACASA-N 0 0 219.284 2.076 10 0 BEAERN O[C@@]12CCCC[C@H]1CN(c1ccccn1)CC2 ZINC000220367983 132452885 /nfs/dbraw/zinc/45/28/85/132452885.db2.gz GEZYFZZSJHDVBT-GXTWGEPZSA-N 0 0 232.327 2.213 10 0 BEAERN O=C(C1=CCCC1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334750254 133731668 /nfs/dbraw/zinc/73/16/68/133731668.db2.gz HWKZYBBXVXRFBF-QWHCGFSZSA-N 0 0 247.338 2.124 10 0 BEAERN Cc1cc2c(ccnc2NCC(C)(C)O)o1 ZINC000166355364 133887893 /nfs/dbraw/zinc/88/78/93/133887893.db2.gz YIOJWXFOHWKZBC-UHFFFAOYSA-N 0 0 220.272 2.319 10 0 BEAERN Cc1cnc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000335759113 133893721 /nfs/dbraw/zinc/89/37/21/133893721.db2.gz PUMOUMQMDVDABY-RKDXNWHRSA-N 0 0 237.303 2.493 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)n1 ZINC000335804611 133915142 /nfs/dbraw/zinc/91/51/42/133915142.db2.gz MVOXLKAMXHKNFL-WDEREUQCSA-N 0 0 231.299 2.406 10 0 BEAERN Cn1cc(Cl)cc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000335871517 133946259 /nfs/dbraw/zinc/94/62/59/133946259.db2.gz BXTBZDJVAPQQMQ-WCBMZHEXSA-N 0 0 238.718 2.303 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC[C@@H]2C)n1 ZINC000336031937 134058672 /nfs/dbraw/zinc/05/86/72/134058672.db2.gz QEYVNSPHDFVWKI-ZETCQYMHSA-N 0 0 209.268 2.221 10 0 BEAERN C[C@H]1CN(c2nc(C3CCC3)no2)CCS1 ZINC000336199379 134127931 /nfs/dbraw/zinc/12/79/31/134127931.db2.gz CQWUGMFZONLBMU-QMMMGPOBSA-N 0 0 239.344 2.279 10 0 BEAERN CCC(C)(C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000171206452 134255961 /nfs/dbraw/zinc/25/59/61/134255961.db2.gz UBLBGMNJZCBXAQ-LBPRGKRZSA-N 0 0 238.375 2.119 10 0 BEAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C(C)C ZINC000177024275 134293525 /nfs/dbraw/zinc/29/35/25/134293525.db2.gz GKUMBEOFYGOSSD-QWHCGFSZSA-N 0 0 240.391 2.221 10 0 BEAERN CCCCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176974191 134295523 /nfs/dbraw/zinc/29/55/23/134295523.db2.gz VZWCZCUUAIBISW-GFCCVEGCSA-N 0 0 226.364 2.119 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177148444 134295744 /nfs/dbraw/zinc/29/57/44/134295744.db2.gz RGLDUUSQTSKELY-YPMHNXCESA-N 0 0 249.358 2.229 10 0 BEAERN CCn1ccnc1C[S@@](=O)CCC(C)C ZINC000177296090 134299526 /nfs/dbraw/zinc/29/95/26/134299526.db2.gz MKWMZYUMPKTIJN-HNNXBMFYSA-N 0 0 228.361 2.198 10 0 BEAERN CC1(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000177737366 134299770 /nfs/dbraw/zinc/29/97/70/134299770.db2.gz OFKDHKXHAOXKNA-NSHDSACASA-N 0 0 231.295 2.427 10 0 BEAERN CC(C)CCCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000178036231 134302797 /nfs/dbraw/zinc/30/27/97/134302797.db2.gz GEJRAUAWZCZDCD-WDEREUQCSA-N 0 0 213.321 2.106 10 0 BEAERN CCC(CC)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178300347 134305938 /nfs/dbraw/zinc/30/59/38/134305938.db2.gz VYKMEDLZKVCBHD-KBPBESRZSA-N 0 0 247.338 2.197 10 0 BEAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358224 134308788 /nfs/dbraw/zinc/30/87/88/134308788.db2.gz PJRCCJMNJZDAKC-MWLCHTKSSA-N 0 0 232.287 2.057 10 0 BEAERN CCC(C)(C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178668187 134312429 /nfs/dbraw/zinc/31/24/29/134312429.db2.gz HXAOBXHRZVTQGA-STQMWFEESA-N 0 0 247.338 2.197 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccccn2)o1 ZINC000220879374 134316482 /nfs/dbraw/zinc/31/64/82/134316482.db2.gz PJLLQGSFIKSINE-JTQLQIEISA-N 0 0 217.272 2.229 10 0 BEAERN CC[N@@H+]1CCC[C@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000180422572 134327297 /nfs/dbraw/zinc/32/72/97/134327297.db2.gz NEJVPJWRURDJGG-ZDUSSCGKSA-N 0 0 247.342 2.180 10 0 BEAERN CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)OC)c1C ZINC000223969068 134343424 /nfs/dbraw/zinc/34/34/24/134343424.db2.gz YZAUKBJTLGMREW-ZJUUUORDSA-N 0 0 239.363 2.205 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000183978398 134355635 /nfs/dbraw/zinc/35/56/35/134355635.db2.gz GDVZPMQJZOWUMF-VIFPVBQESA-N 0 0 248.326 2.027 10 0 BEAERN CC(C)(C)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000225673030 134356641 /nfs/dbraw/zinc/35/66/41/134356641.db2.gz AYOIFRBYVXJBQB-MNOVXSKESA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H](CCO)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184211794 134360073 /nfs/dbraw/zinc/36/00/73/134360073.db2.gz AWWJXBYJMRJJNH-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN CCC[C@H]([NH2+][C@H]1CC[C@@H](CC)C1)C(=O)[O-] ZINC000226403697 134365738 /nfs/dbraw/zinc/36/57/38/134365738.db2.gz WUDVEWAZGYCCOQ-VWYCJHECSA-N 0 0 213.321 2.408 10 0 BEAERN CCC[C@H](C(=O)OCC)N1CCS[C@@H](C)C1 ZINC000227035729 134373567 /nfs/dbraw/zinc/37/35/67/134373567.db2.gz VSRIPYYQDJJDJX-WDEREUQCSA-N 0 0 245.388 2.156 10 0 BEAERN COCCC(C)(C)CNC(=O)N[C@@H](C)C(C)C ZINC000185455837 134380566 /nfs/dbraw/zinc/38/05/66/134380566.db2.gz YUTXFOZBPCWNRP-NSHDSACASA-N 0 0 244.379 2.393 10 0 BEAERN Cc1ccc(NC(=O)N2CC[C@@H](CCO)C2)cc1 ZINC000227529221 134382879 /nfs/dbraw/zinc/38/28/79/134382879.db2.gz PETZGWLYVDKCEY-LBPRGKRZSA-N 0 0 248.326 2.231 10 0 BEAERN CC[C@H](NC(=O)c1cscn1)C(C)C ZINC000062663352 134394793 /nfs/dbraw/zinc/39/47/93/134394793.db2.gz LCRUXFBVPUNKMI-QMMMGPOBSA-N 0 0 212.318 2.308 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228778077 134426459 /nfs/dbraw/zinc/42/64/59/134426459.db2.gz SXADJEFMOHYXHB-DMTCNVIQSA-N 0 0 223.223 2.377 10 0 BEAERN C[C@@H](C(=O)N1CC[C@@H](CCO)C1)c1ccccc1 ZINC000229009057 134437014 /nfs/dbraw/zinc/43/70/14/134437014.db2.gz YNXKDCNCMWRNQL-OLZOCXBDSA-N 0 0 247.338 2.021 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[C@@H](C)C2)O1 ZINC000150791890 134454540 /nfs/dbraw/zinc/45/45/40/134454540.db2.gz LTKBXJVEMGAJMW-VOAKCMCISA-N 0 0 239.359 2.496 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000187782736 134473048 /nfs/dbraw/zinc/47/30/48/134473048.db2.gz NUCGGHQSOYINRK-RTXFEEFZSA-N 0 0 249.358 2.344 10 0 BEAERN CCC(CC)(CO)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000230175514 134486206 /nfs/dbraw/zinc/48/62/06/134486206.db2.gz NTZZXQMSGMDVAR-VXGBXAGGSA-N 0 0 241.375 2.338 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1 ZINC000230175007 134486555 /nfs/dbraw/zinc/48/65/55/134486555.db2.gz VEEPAYHXYSSRKA-GXFFZTMASA-N 0 0 233.311 2.445 10 0 BEAERN CSCCCCCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000188159020 134493892 /nfs/dbraw/zinc/49/38/92/134493892.db2.gz YYMZOHKBYPXNOG-QWRGUYRKSA-N 0 0 245.388 2.203 10 0 BEAERN CSC1(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000188710121 134531175 /nfs/dbraw/zinc/53/11/75/134531175.db2.gz ZVMRIUZFOMSBMS-JTQLQIEISA-N 0 0 249.335 2.132 10 0 BEAERN CCCCCNC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190120782 134557519 /nfs/dbraw/zinc/55/75/19/134557519.db2.gz JLUCJONTMBNBDF-UTUOFQBUSA-N 0 0 240.347 2.043 10 0 BEAERN CCCN(CC1CC1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190456650 134560958 /nfs/dbraw/zinc/56/09/58/134560958.db2.gz DETHXSUVWXZSQH-WCQYABFASA-N 0 0 239.359 2.450 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000134269561 134706599 /nfs/dbraw/zinc/70/65/99/134706599.db2.gz GCYWTSRZAKDAEA-SKDRFNHKSA-N 0 0 244.294 2.075 10 0 BEAERN CC(C)CCOCC(=O)Nc1ccccc1N ZINC000019396869 166872525 /nfs/dbraw/zinc/87/25/25/166872525.db2.gz VDCURYNVYYVJHX-UHFFFAOYSA-N 0 0 236.315 2.270 10 0 BEAERN CCOC(=O)CN[C@@H]1CCCOc2ccccc21 ZINC000194333129 134823392 /nfs/dbraw/zinc/82/33/92/134823392.db2.gz AMJWUKARNHGCSK-GFCCVEGCSA-N 0 0 249.310 2.053 10 0 BEAERN O=C(Nc1ccc2c(c1)CCCN2)c1cc[nH]n1 ZINC000071214680 134930332 /nfs/dbraw/zinc/93/03/32/134930332.db2.gz BSZVWMDOAZIGJQ-UHFFFAOYSA-N 0 0 242.282 2.020 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000246697278 134959791 /nfs/dbraw/zinc/95/97/91/134959791.db2.gz CLDAQHAVGWKNAN-SDDRHHMPSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(Cc2nnc(C3CC3)n2C)C1 ZINC000076148935 135013549 /nfs/dbraw/zinc/01/35/49/135013549.db2.gz SUZDUGZKJKLUCI-GHMZBOCLSA-N 0 0 248.374 2.313 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000248586988 135015879 /nfs/dbraw/zinc/01/58/79/135015879.db2.gz RBHQXFKXSHYXJQ-BJDJZHNGSA-N 0 0 227.348 2.304 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000248883652 135024617 /nfs/dbraw/zinc/02/46/17/135024617.db2.gz RWFLTSANRSDCKT-RWMBFGLXSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)co1 ZINC000249071340 135031590 /nfs/dbraw/zinc/03/15/90/135031590.db2.gz LCSWDZYPXCKMKM-IJLUTSLNSA-N 0 0 249.310 2.131 10 0 BEAERN CCn1ccnc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000249865103 135046345 /nfs/dbraw/zinc/04/63/45/135046345.db2.gz HSDVINUQXSHNDF-OLZOCXBDSA-N 0 0 249.358 2.046 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC=CCC1 ZINC000250794450 135058993 /nfs/dbraw/zinc/05/89/93/135058993.db2.gz SCDQBAGYJWKIMP-XQQFMLRXSA-N 0 0 237.343 2.274 10 0 BEAERN O=C(NC[C@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000077207637 135059845 /nfs/dbraw/zinc/05/98/45/135059845.db2.gz ATMWQJKXUJQFLT-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN Cc1cccc(OCCN2[C@@H](C)COC[C@@H]2C)c1 ZINC000077370442 135063357 /nfs/dbraw/zinc/06/33/57/135063357.db2.gz HOFHMVHLNGLKTK-KBPBESRZSA-N 0 0 249.354 2.483 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000252865056 135114110 /nfs/dbraw/zinc/11/41/10/135114110.db2.gz LSTVLHOYHJFQFZ-QJPTWQEYSA-N 0 0 227.348 2.088 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000253281255 135125392 /nfs/dbraw/zinc/12/53/92/135125392.db2.gz WNYVBKZWWGGYTD-VOAKCMCISA-N 0 0 239.359 2.496 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@H]1CCCO[C@H]1C ZINC000253278537 135125665 /nfs/dbraw/zinc/12/56/65/135125665.db2.gz ODTKEGGLZFZBSM-SRVKXCTJSA-N 0 0 227.348 2.496 10 0 BEAERN Cc1cccc(CC[N@@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000258866414 135135627 /nfs/dbraw/zinc/13/56/27/135135627.db2.gz KOQBNYPJSWORTF-GFCCVEGCSA-N 0 0 235.327 2.190 10 0 BEAERN CNCc1noc([C@@H]2CCCC(F)(F)C2)n1 ZINC000261533082 135163947 /nfs/dbraw/zinc/16/39/47/135163947.db2.gz IZMPELJYTZFNOB-SSDOTTSWSA-N 0 0 231.246 2.082 10 0 BEAERN CCC1(O)CN(Cc2cc(C)cc(C)c2)C1 ZINC000084359694 135213641 /nfs/dbraw/zinc/21/36/41/135213641.db2.gz BCMQCMSVJAEDAW-UHFFFAOYSA-N 0 0 219.328 2.260 10 0 BEAERN OC1(C2CC2)CN(Cc2ccccc2Cl)C1 ZINC000084377235 135215372 /nfs/dbraw/zinc/21/53/72/135215372.db2.gz ZGJKOQKQFVPADX-UHFFFAOYSA-N 0 0 237.730 2.297 10 0 BEAERN Cc1nocc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000334304861 135348428 /nfs/dbraw/zinc/34/84/28/135348428.db2.gz CGGDQEAZJDHVMG-OLZOCXBDSA-N 0 0 236.315 2.126 10 0 BEAERN CCC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(=O)[O-] ZINC000263415358 135353066 /nfs/dbraw/zinc/35/30/66/135353066.db2.gz MYVDEIAZUUOZLB-VWYCJHECSA-N 0 0 213.321 2.264 10 0 BEAERN CC[C@H](C)CC(=O)N[C@H]1CCCCC[C@@H]1O ZINC000164479268 135356195 /nfs/dbraw/zinc/35/61/95/135356195.db2.gz WQGUCBOOPPHFKE-SRVKXCTJSA-N 0 0 227.348 2.232 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(C)n1C ZINC000334343392 135364328 /nfs/dbraw/zinc/36/43/28/135364328.db2.gz QYTZVJBNEVLNSA-AAEUAGOBSA-N 0 0 232.327 2.266 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CC2=CCCCC2)C1 ZINC000335359173 135411832 /nfs/dbraw/zinc/41/18/32/135411832.db2.gz PUGDSIHTGGMWJS-AAEUAGOBSA-N 0 0 237.343 2.106 10 0 BEAERN CN(CC1CC(O)C1)C(=O)CCC1CCCC1 ZINC000091490906 135562720 /nfs/dbraw/zinc/56/27/20/135562720.db2.gz CUOCOYXHGDWAJO-UHFFFAOYSA-N 0 0 239.359 2.186 10 0 BEAERN Cn1nccc1CN1CCC[C@@H]1c1ccco1 ZINC000093335303 135592876 /nfs/dbraw/zinc/59/28/76/135592876.db2.gz ONOOYGVBWZTMRA-GFCCVEGCSA-N 0 0 231.299 2.350 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000094728061 135617677 /nfs/dbraw/zinc/61/76/77/135617677.db2.gz VKMJDAWXTYMIFC-OLZOCXBDSA-N 0 0 247.342 2.071 10 0 BEAERN O=C(Nc1ccc2c(n1)CCC2)N1CC2(CC2)C1 ZINC000334581427 135756397 /nfs/dbraw/zinc/75/63/97/135756397.db2.gz QQTRBVRENPDYPX-UHFFFAOYSA-N 0 0 243.310 2.198 10 0 BEAERN C[C@@H](C(=O)N1CCS[C@@H](C)C1)C(C)(F)F ZINC000335316156 136025103 /nfs/dbraw/zinc/02/51/03/136025103.db2.gz DZOFQIORGKSASB-YUMQZZPRSA-N 0 0 237.315 2.242 10 0 BEAERN C[C@H](C(=O)N1CCS[C@@H](C)C1)C(C)(F)F ZINC000335316149 136025330 /nfs/dbraw/zinc/02/53/30/136025330.db2.gz DZOFQIORGKSASB-JGVFFNPUSA-N 0 0 237.315 2.242 10 0 BEAERN O=C(c1ccccc1F)N1C[C@H]2CCC[C@H]21 ZINC000335306409 136026301 /nfs/dbraw/zinc/02/63/01/136026301.db2.gz ROSICIAFPFDZMF-BXKDBHETSA-N 0 0 219.259 2.450 10 0 BEAERN Cc1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H]32)s1 ZINC000335329630 136053396 /nfs/dbraw/zinc/05/33/96/136053396.db2.gz YAJFJBRRCJWTRH-ZJUUUORDSA-N 0 0 236.340 2.384 10 0 BEAERN c1coc([C@H]2NCc3ccccc3N2)c1 ZINC000196209121 397842025 /nfs/dbraw/zinc/84/20/25/397842025.db2.gz IZBKYCMKBIGPKJ-LBPRGKRZSA-N 0 0 200.241 2.494 10 0 BEAERN C=CCC[N@H+]1CCC[C@H](CC(=O)[O-])CC1 ZINC000390206249 397882704 /nfs/dbraw/zinc/88/27/04/397882704.db2.gz SLVPQTRVYVDQKZ-NSHDSACASA-N 0 0 211.305 2.139 10 0 BEAERN N[C@H](c1cncc(Cl)c1)C(F)(F)F ZINC000238633178 397938394 /nfs/dbraw/zinc/93/83/94/397938394.db2.gz YILNUGCOKRRONV-ZCFIWIBFSA-N 0 0 210.586 2.297 10 0 BEAERN Clc1cnccc1[C@@H]1NCCS1 ZINC000575460519 397944029 /nfs/dbraw/zinc/94/40/29/397944029.db2.gz CWVZZIYJBCKMMX-MRVPVSSYSA-N 0 0 200.694 2.070 10 0 BEAERN Clc1cnccc1[C@H]1NCCS1 ZINC000575460522 397944224 /nfs/dbraw/zinc/94/42/24/397944224.db2.gz CWVZZIYJBCKMMX-QMMMGPOBSA-N 0 0 200.694 2.070 10 0 BEAERN c1nscc1N[C@H]1CCCSC1 ZINC000575463944 397946736 /nfs/dbraw/zinc/94/67/36/397946736.db2.gz NFFJMCUXUCGIML-ZETCQYMHSA-N 0 0 200.332 2.451 10 0 BEAERN CC(C)c1nccc(NC[C@@H]2CCC[N@@H+]2C)n1 ZINC000110282971 397903621 /nfs/dbraw/zinc/90/36/21/397903621.db2.gz RWUOABOBBKDAPO-NSHDSACASA-N 0 0 234.347 2.106 10 0 BEAERN C[C@@H]1CN(c2ccnc(C3CC3)n2)CC(C)(C)O1 ZINC000110289794 397903826 /nfs/dbraw/zinc/90/38/26/397903826.db2.gz IVZUHONSDVNJFR-SNVBAGLBSA-N 0 0 247.342 2.358 10 0 BEAERN CC(=O)N1CCc2cccc3c2[C@H]1CCC3=O ZINC000020397821 397963707 /nfs/dbraw/zinc/96/37/07/397963707.db2.gz GNCKZDVQVQCDKK-GFCCVEGCSA-N 0 0 229.279 2.109 10 0 BEAERN OCCN1CCc2ccccc2[C@@H]1C(F)(F)F ZINC000616678207 397921252 /nfs/dbraw/zinc/92/12/52/397921252.db2.gz BRFSEDUWMZEZCC-LLVKDONJSA-N 0 0 245.244 2.140 10 0 BEAERN C[C@@H]1CSC[C@H]1n1ncc(Cl)c1N ZINC000306866236 397922718 /nfs/dbraw/zinc/92/27/18/397922718.db2.gz NHVQQWUMXBJBPS-IYSWYEEDSA-N 0 0 217.725 2.043 10 0 BEAERN CC[C@H](O)[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000307154262 397990234 /nfs/dbraw/zinc/99/02/34/397990234.db2.gz KSGNQIUIBVSSFF-FXQIFTODSA-N 0 0 212.211 2.115 10 0 BEAERN CCOc1c(O)cc(CO)cc1C(F)F ZINC000575665881 398044404 /nfs/dbraw/zinc/04/44/04/398044404.db2.gz IFIMLEVYIGXTRR-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN Brc1cc(N2CC=CC2)ccn1 ZINC000307175541 398004860 /nfs/dbraw/zinc/00/48/60/398004860.db2.gz WEIRNIXJYDDVJQ-UHFFFAOYSA-N 0 0 225.089 2.220 10 0 BEAERN Clc1nsnc1N1C[C@@H]2CC[C@@H]2C1 ZINC000575595873 398007152 /nfs/dbraw/zinc/00/71/52/398007152.db2.gz AIXBSDOXJMULFA-OLQVQODUSA-N 0 0 215.709 2.038 10 0 BEAERN O=C1CCC[C@H](S[C@H]2CCOC2)C1 ZINC000575595238 398007542 /nfs/dbraw/zinc/00/75/42/398007542.db2.gz YLMHBXKPISQTEI-UWVGGRQHSA-N 0 0 200.303 2.020 10 0 BEAERN [NH3+]Cc1nccc2c(F)c(F)c(F)cc21 ZINC000082768814 398010547 /nfs/dbraw/zinc/01/05/47/398010547.db2.gz YGLHGXRLFQKSEQ-UHFFFAOYSA-N 0 0 212.174 2.111 10 0 BEAERN CCc1cc(C(C)=O)cc(C=O)c1C#N ZINC000575648539 398022019 /nfs/dbraw/zinc/02/20/19/398022019.db2.gz VXTOQSAHOFUATN-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN C[Si](C)(C)c1ncc(Br)s1 ZINC000198025881 398034834 /nfs/dbraw/zinc/03/48/34/398034834.db2.gz YNBYMDSBHKQUDY-UHFFFAOYSA-N 0 0 236.210 2.451 10 0 BEAERN Nc1ccccc1CNc1ccccc1CO ZINC000013346834 398036835 /nfs/dbraw/zinc/03/68/35/398036835.db2.gz KKHCTMYLYGIEKX-UHFFFAOYSA-N 0 0 228.295 2.373 10 0 BEAERN COC(=O)c1cc(N)c(C)c(OC(F)(F)F)c1 ZINC000575639694 398038290 /nfs/dbraw/zinc/03/82/90/398038290.db2.gz JJRDQABFICAEDU-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOC(=O)Cc1c(C)c(C)ccc1OC ZINC000260072521 398042228 /nfs/dbraw/zinc/04/22/28/398042228.db2.gz BCAUZZGOJRZEOK-UHFFFAOYSA-N 0 0 222.284 2.418 10 0 BEAERN CC[C@]1(C)C[C@@H]1NC1N=NC(=S)S1 ZINC000307122359 397982426 /nfs/dbraw/zinc/98/24/26/397982426.db2.gz LOYBHWJLUXPXQM-YLWLKBPMSA-N 0 0 215.347 2.427 10 0 BEAERN Nc1cc2c[nH]nc2cc1OC1CCCC1 ZINC000584617549 398065821 /nfs/dbraw/zinc/06/58/21/398065821.db2.gz AXIIDUXYFTYECR-UHFFFAOYSA-N 0 0 217.272 2.467 10 0 BEAERN Nc1ccc2c(c1)O[C@](F)(Cl)C(F)(F)O2 ZINC000059565755 398075778 /nfs/dbraw/zinc/07/57/78/398075778.db2.gz WOINQMFAPAESTP-ZETCQYMHSA-N 0 0 239.580 2.495 10 0 BEAERN C[C@@H](Nc1cccnn1)c1cccnc1 ZINC000052816028 398076385 /nfs/dbraw/zinc/07/63/85/398076385.db2.gz DPVUWRXGRBBOAK-SECBINFHSA-N 0 0 200.245 2.045 10 0 BEAERN CCNCC1=N[C@H](c2ccc(C)cc2)N(CC)O1 ZINC000584614110 398077833 /nfs/dbraw/zinc/07/78/33/398077833.db2.gz QAGHFCCIXIMLMU-AWEZNQCLSA-N 0 0 247.342 2.269 10 0 BEAERN CC(C)(C)N1OC(CN)=N[C@@H]1c1ccccc1 ZINC000584614101 398078026 /nfs/dbraw/zinc/07/80/26/398078026.db2.gz PLSLLLXUZAVUFB-LBPRGKRZSA-N 0 0 233.315 2.088 10 0 BEAERN CC1(c2cccc3cc(CO)oc32)OCCO1 ZINC000584624771 398079523 /nfs/dbraw/zinc/07/95/23/398079523.db2.gz QBLXBGNKPPAIJB-UHFFFAOYSA-N 0 0 234.251 2.145 10 0 BEAERN CC1(C)c2ccc(N)cc2N(C2CC2)C1=O ZINC000584647833 398080771 /nfs/dbraw/zinc/08/07/71/398080771.db2.gz LLCRRJZICROLPU-UHFFFAOYSA-N 0 0 216.284 2.055 10 0 BEAERN CC[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)(C)C ZINC000584658146 398081918 /nfs/dbraw/zinc/08/19/18/398081918.db2.gz OLEOTNXGEZDRAV-RKDXNWHRSA-N 0 0 227.304 2.426 10 0 BEAERN CCCC[C@@H]1CC(=O)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000584659154 398082737 /nfs/dbraw/zinc/08/27/37/398082737.db2.gz ZCUPYQMYEVHQJS-MIMYLULJSA-N 0 0 212.289 2.286 10 0 BEAERN Cc1nnc(Nc2ccc(C=O)cc2)s1 ZINC000584634562 398083616 /nfs/dbraw/zinc/08/36/16/398083616.db2.gz MGCQLDPDPMFFGP-UHFFFAOYSA-N 0 0 219.269 2.403 10 0 BEAERN O=C1C[C@@H](Sc2ccccc2)CCO1 ZINC000584634563 398083619 /nfs/dbraw/zinc/08/36/19/398083619.db2.gz NWWSRSXWZLIJQM-JTQLQIEISA-N 0 0 208.282 2.484 10 0 BEAERN F[C@H]1CN[C@@H](c2nc(-c3ccsc3)no2)C1 ZINC000409422796 398084662 /nfs/dbraw/zinc/08/46/62/398084662.db2.gz IZYGAZZCKPHXJG-HTQZYQBOSA-N 0 0 239.275 2.171 10 0 BEAERN CCOC(=O)c1cc(OC)cc(C(F)(F)F)n1 ZINC000260400940 398086874 /nfs/dbraw/zinc/08/68/74/398086874.db2.gz GRCRVYTXPHJFCT-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN O=C1CSC(COc2ccccc2)=N1 ZINC000306227937 398133762 /nfs/dbraw/zinc/13/37/62/398133762.db2.gz WZZUTGCJHKMDKK-UHFFFAOYSA-N 0 0 207.254 2.428 10 0 BEAERN CC(C)C[NH2+][C@@]1(C(=O)[O-])CCCC[C@H]1C ZINC000037965282 167012154 /nfs/dbraw/zinc/01/21/54/167012154.db2.gz YLMUMUBTXFIMOH-PWSUYJOCSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)CNc1ncc(N)cc1Br ZINC000036244903 167019345 /nfs/dbraw/zinc/01/93/45/167019345.db2.gz NXIRDESRFBMIMW-UHFFFAOYSA-N 0 0 244.136 2.494 10 0 BEAERN COC(=O)C(F)(F)c1cccc(F)c1 ZINC000095774115 173507619 /nfs/dbraw/zinc/50/76/19/173507619.db2.gz BWZPCFQFKMBBSV-UHFFFAOYSA-N 0 0 204.147 2.091 10 0 BEAERN CC(C)Nc1nc2sccc2c(=O)o1 ZINC000013779506 167149836 /nfs/dbraw/zinc/14/98/36/167149836.db2.gz MSGVUZLZWOKYJX-UHFFFAOYSA-N 0 0 210.258 2.070 10 0 BEAERN CCOC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC000261292777 322885074 /nfs/dbraw/zinc/88/50/74/322885074.db2.gz MJDUBVMEVXICDZ-NEPJUHHUSA-N 0 0 220.268 2.327 10 0 BEAERN O=C(NCC[C@H]1CCCO1)c1cccs1 ZINC000058667268 487565247 /nfs/dbraw/zinc/56/52/47/487565247.db2.gz AUWOKYHIDJZADE-SECBINFHSA-N 0 0 225.313 2.047 10 0 BEAERN CC(C)OCC(=O)Nc1cc(Cl)ccc1N ZINC000019396747 167192643 /nfs/dbraw/zinc/19/26/43/167192643.db2.gz RUSAXSBCCCOTLV-UHFFFAOYSA-N 0 0 242.706 2.286 10 0 BEAERN CC(C)OCCN1CCc2ccc(N)cc21 ZINC000049259826 167234958 /nfs/dbraw/zinc/23/49/58/167234958.db2.gz ZKUHVCYSGDZLMD-UHFFFAOYSA-N 0 0 220.316 2.056 10 0 BEAERN CCN(C)c1noc(-c2ccc(C)c(O)c2)n1 ZINC000228227799 487600297 /nfs/dbraw/zinc/60/02/97/487600297.db2.gz NCQQLGVPPGHFCY-UHFFFAOYSA-N 0 0 233.271 2.207 10 0 BEAERN Cc1ncn(C[C@@H]2CCC[C@H](O)C2)c1C ZINC000308883003 409935135 /nfs/dbraw/zinc/93/51/35/409935135.db2.gz FNVAECVRVVMLDX-NEPJUHHUSA-N 0 0 208.305 2.051 10 0 BEAERN C=Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000409422747 409995741 /nfs/dbraw/zinc/99/57/41/409995741.db2.gz IGQUDHTXURJJDX-ZDUSSCGKSA-N 0 0 231.295 2.236 10 0 BEAERN Brc1ccc(Cc2nnc[nH]2)cc1 ZINC000082549087 166097027 /nfs/dbraw/zinc/09/70/27/166097027.db2.gz PQCQQWFMKQFJPN-UHFFFAOYSA-N 0 0 238.088 2.158 10 0 BEAERN Brc1ccc(NC2CC2)cn1 ZINC000095775773 166097159 /nfs/dbraw/zinc/09/71/59/166097159.db2.gz AFQAICRQOAFCLJ-UHFFFAOYSA-N 0 0 213.078 2.418 10 0 BEAERN Brc1ccc(-c2ccoc2)nn1 ZINC000044118127 166097295 /nfs/dbraw/zinc/09/72/95/166097295.db2.gz ADODKEDOZJUSSS-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccc(NC[C@@H]2CO2)cc1 ZINC000071261243 166098128 /nfs/dbraw/zinc/09/81/28/166098128.db2.gz GILQHUOPGMYACW-SECBINFHSA-N 0 0 228.089 2.260 10 0 BEAERN Brc1ccc([C@H]2[NH2+]CCCO2)cc1 ZINC000049830861 166100003 /nfs/dbraw/zinc/10/00/03/166100003.db2.gz BMAUQJVSPVOCPV-JTQLQIEISA-N 0 0 242.116 2.458 10 0 BEAERN Brc1ccc([C@H]2C[NH2+]CO2)s1 ZINC000082547305 166100271 /nfs/dbraw/zinc/10/02/71/166100271.db2.gz IUQWKMZCMQWQSU-RXMQYKEDSA-N 0 0 234.118 2.129 10 0 BEAERN Brc1cccc(O[C@H]2CCOC2)n1 ZINC000044117258 166100907 /nfs/dbraw/zinc/10/09/07/166100907.db2.gz UPAMJVZHARZDPW-ZETCQYMHSA-N 0 0 244.088 2.012 10 0 BEAERN Brc1cccc(-c2ncccn2)n1 ZINC000095079049 166101292 /nfs/dbraw/zinc/10/12/92/166101292.db2.gz NOPPPZDYGYILNO-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccnc2scnc21 ZINC000082370633 166102944 /nfs/dbraw/zinc/10/29/44/166102944.db2.gz ALKYUTSXAZSXTO-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1cnc(-c2cccnc2)cn1 ZINC000044117661 166104410 /nfs/dbraw/zinc/10/44/10/166104410.db2.gz GMXYQKQBXAJMIT-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cnc2c(c1)NCCC2 ZINC000095763866 166104499 /nfs/dbraw/zinc/10/44/99/166104499.db2.gz RPSHDZDEBVGYAJ-UHFFFAOYSA-N 0 0 213.078 2.202 10 0 BEAERN Brc1c[nH]c(-c2ccccn2)n1 ZINC000206376838 166104935 /nfs/dbraw/zinc/10/49/35/166104935.db2.gz QHFPGXJCATVKLS-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Brc1cn2cncc2s1 ZINC000038916937 166105007 /nfs/dbraw/zinc/10/50/07/166105007.db2.gz QJJWFMQXQGXGOP-UHFFFAOYSA-N 0 0 203.064 2.158 10 0 BEAERN Brc1cnc2cnccc2c1 ZINC000039203674 166105020 /nfs/dbraw/zinc/10/50/20/166105020.db2.gz OYBCABHRRHTJJK-UHFFFAOYSA-N 0 0 209.046 2.392 10 0 BEAERN CCCc1nccnc1N1CCC[C@@H]1C[C@H](C)O ZINC000663742961 410321825 /nfs/dbraw/zinc/32/18/25/410321825.db2.gz YPHSFBCLXYQSBQ-NWDGAFQWSA-N 0 0 249.358 2.169 10 0 BEAERN CCCc1nccnc1NCC1(CO)CCCC1 ZINC000663814080 410336718 /nfs/dbraw/zinc/33/67/18/410336718.db2.gz YIRSFSRFGTVTJU-UHFFFAOYSA-N 0 0 249.358 2.394 10 0 BEAERN Cc1ccc(C)c(N2CC[C@H](CO)C2)c1 ZINC000011892786 410312521 /nfs/dbraw/zinc/31/25/21/410312521.db2.gz HCYANXMMSBUDRX-LBPRGKRZSA-N 0 0 205.301 2.122 10 0 BEAERN CC(C)[C@]1(CO)CCNc2ccccc21 ZINC000142002968 410520129 /nfs/dbraw/zinc/52/01/29/410520129.db2.gz NSKRVLXQKABUMG-CYBMUJFWSA-N 0 0 205.301 2.388 10 0 BEAERN CC(=O)c1ccc(-c2cc(=O)cc[nH]2)cc1 ZINC000065355765 166449905 /nfs/dbraw/zinc/44/99/05/166449905.db2.gz ITEZRRVCUMLCKN-UHFFFAOYSA-N 0 0 213.236 2.245 10 0 BEAERN CC(=O)c1cc2cc(C)ccc2oc1=O ZINC000020389801 166450183 /nfs/dbraw/zinc/45/01/83/166450183.db2.gz MJMJREHDIIIUHN-UHFFFAOYSA-N 0 0 202.209 2.304 10 0 BEAERN CC(=O)c1ccc(O[C@@H](C)[C@@H](C)O)c(C)c1 ZINC000125364108 166468141 /nfs/dbraw/zinc/46/81/41/166468141.db2.gz ACEWNGULETUXDG-KOLCDFICSA-N 0 0 222.284 2.346 10 0 BEAERN CC(C)(C)C1=N/C(=C/c2cccnc2)C(=O)O1 ZINC000008657782 166542019 /nfs/dbraw/zinc/54/20/19/166542019.db2.gz MFLPACSZKGHPES-JXMROGBWSA-N 0 0 230.267 2.424 10 0 BEAERN CC(C)(C)CC(=O)N1CCCC[C@H](CO)C1 ZINC000378198960 166545637 /nfs/dbraw/zinc/54/56/37/166545637.db2.gz BVTOKWGEXXRHNO-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)(C)CCOC(=O)c1cc(N)cc(N)c1 ZINC000049256315 166574580 /nfs/dbraw/zinc/57/45/80/166574580.db2.gz DHSDUILUVUYMQA-UHFFFAOYSA-N 0 0 236.315 2.444 10 0 BEAERN CC(C)(C)CNC(=O)c1ccc2c(c1)CCN2 ZINC000040494420 166587549 /nfs/dbraw/zinc/58/75/49/166587549.db2.gz ZCHDVGLIRUDABF-UHFFFAOYSA-N 0 0 232.327 2.431 10 0 BEAERN COC[C@@H](C)C(=O)NCCc1ccc(C)cc1C ZINC000103386833 410636438 /nfs/dbraw/zinc/63/64/38/410636438.db2.gz DYNUUSBYTLTPEQ-CYBMUJFWSA-N 0 0 249.354 2.245 10 0 BEAERN CC(C)(C)NC(=O)COc1cccc(F)c1 ZINC000049535734 166615472 /nfs/dbraw/zinc/61/54/72/166615472.db2.gz LNGZRVUONOASSI-UHFFFAOYSA-N 0 0 225.263 2.119 10 0 BEAERN CC(C)(C)NC(=O)CNc1ccccc1F ZINC000020052419 166615927 /nfs/dbraw/zinc/61/59/27/166615927.db2.gz RSHPQDPWIPYYBU-UHFFFAOYSA-N 0 0 224.279 2.152 10 0 BEAERN CC(C)(C)Nc1ccc(N)c2nonc21 ZINC000035675475 166639838 /nfs/dbraw/zinc/63/98/38/166639838.db2.gz XYNPYFRYEIBWHB-UHFFFAOYSA-N 0 0 206.249 2.015 10 0 BEAERN CC(C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000049945649 166702341 /nfs/dbraw/zinc/70/23/41/166702341.db2.gz ROJMYFKOKBCBSE-UHFFFAOYSA-N 0 0 209.264 2.440 10 0 BEAERN CC(C)C(=O)N(C)[C@H](C)c1cccc(N)c1 ZINC000037504198 166704210 /nfs/dbraw/zinc/70/42/10/166704210.db2.gz XKVJCHIHRNEFAC-SNVBAGLBSA-N 0 0 220.316 2.444 10 0 BEAERN CC(C)C[NH2+][C@](C(N)=O)(c1ccccc1)C(C)C ZINC000037951960 167014464 /nfs/dbraw/zinc/01/44/64/167014464.db2.gz FOFVEUMDJRSCGP-HNNXBMFYSA-N 0 0 248.370 2.269 10 0 BEAERN CC(C)CNc1cccc(-n2cnnc2)c1 ZINC000036991043 167017718 /nfs/dbraw/zinc/01/77/18/167017718.db2.gz XOBDZMSOXLQXLJ-UHFFFAOYSA-N 0 0 216.288 2.335 10 0 BEAERN CC(C)CNc1ccccc1-n1ccnn1 ZINC000036933594 167019455 /nfs/dbraw/zinc/01/94/55/167019455.db2.gz BDWFJUNBQDEDKV-UHFFFAOYSA-N 0 0 216.288 2.335 10 0 BEAERN CC(C)NC(=O)CNc1cc(Cl)ccc1F ZINC000035083728 167060606 /nfs/dbraw/zinc/06/06/06/167060606.db2.gz FZLVLBPBOCEGOO-UHFFFAOYSA-N 0 0 244.697 2.416 10 0 BEAERN CC(C)NC(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000368451330 167071193 /nfs/dbraw/zinc/07/11/93/167071193.db2.gz RFHMGZDZMXCHKT-MNOVXSKESA-N 0 0 210.321 2.369 10 0 BEAERN CC(C)NC(=O)N[C@@H](C)c1ccccc1N ZINC000037179003 167075618 /nfs/dbraw/zinc/07/56/18/167075618.db2.gz ANSJNGQDHGLQHZ-VIFPVBQESA-N 0 0 221.304 2.037 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1ccc(F)cc1 ZINC000020304417 167082223 /nfs/dbraw/zinc/08/22/23/167082223.db2.gz VCORYCPTDWRCTG-SECBINFHSA-N 0 0 224.279 2.151 10 0 BEAERN CC(C)NC(=O)c1cc2c(s1)CCC2 ZINC000004948661 167084772 /nfs/dbraw/zinc/08/47/72/167084772.db2.gz AWRQPNZMRYGKEN-UHFFFAOYSA-N 0 0 209.314 2.375 10 0 BEAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000037183151 167129080 /nfs/dbraw/zinc/12/90/80/167129080.db2.gz LJDGKIGORKMYMN-SNVBAGLBSA-N 0 0 229.226 2.089 10 0 BEAERN CC(C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446531 167137287 /nfs/dbraw/zinc/13/72/87/167137287.db2.gz WLSMCFPUBGNTCR-GFCCVEGCSA-N 0 0 240.734 2.039 10 0 BEAERN CC(C)Nc1ccccc1-n1ccnn1 ZINC000036933696 167148139 /nfs/dbraw/zinc/14/81/39/167148139.db2.gz MGPOYIUIRUYJJT-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)Nc1nc2c(cc1C[NH3+])CCCC2 ZINC000050423136 167150380 /nfs/dbraw/zinc/15/03/80/167150380.db2.gz HOMLTUIUHYUDBR-UHFFFAOYSA-N 0 0 219.332 2.239 10 0 BEAERN CC(C)OC(=O)N1CCc2ccc(N)cc21 ZINC000044238638 167163251 /nfs/dbraw/zinc/16/32/51/167163251.db2.gz RZHCQXUAPHLMBQ-UHFFFAOYSA-N 0 0 220.272 2.176 10 0 BEAERN CC(C)OC(=O)c1c(N)c(F)c(F)cc1F ZINC000061119431 167172644 /nfs/dbraw/zinc/17/26/44/167172644.db2.gz WKPMGRMOLYUDSL-UHFFFAOYSA-N 0 0 233.189 2.251 10 0 BEAERN O=C1[C@H]2CCCC2=NN1Cc1cccc(F)c1 ZINC000103887363 410918607 /nfs/dbraw/zinc/91/86/07/410918607.db2.gz PBAUWXBBYODYQM-NSHDSACASA-N 0 0 232.258 2.324 10 0 BEAERN COCc1ccccc1NCc1cncnc1 ZINC000054767344 487619334 /nfs/dbraw/zinc/61/93/34/487619334.db2.gz CPYOLPKZIOCGDV-UHFFFAOYSA-N 0 0 229.283 2.235 10 0 BEAERN CC(C)OCCOc1ccccc1C(N)=S ZINC000020077356 167248476 /nfs/dbraw/zinc/24/84/76/167248476.db2.gz FPZRNQICJKXKHF-UHFFFAOYSA-N 0 0 239.340 2.125 10 0 BEAERN CC(C)Oc1ccc(C(=O)c2nccn2C)cc1 ZINC000082551347 167292219 /nfs/dbraw/zinc/29/22/19/167292219.db2.gz MANGEUZUZZEDEP-UHFFFAOYSA-N 0 0 244.294 2.438 10 0 BEAERN CC(C)Oc1ccc([C@@H](O)CCCO)cc1 ZINC000098124935 167299713 /nfs/dbraw/zinc/29/97/13/167299713.db2.gz OCWNPLFXNAHRDL-ZDUSSCGKSA-N 0 0 224.300 2.280 10 0 BEAERN CC(C)Oc1cncc(N[C@@H]2C[C@@H]2C)n1 ZINC000123626266 167311741 /nfs/dbraw/zinc/31/17/41/167311741.db2.gz BFZOSZSJJCWYJC-DTWKUNHWSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1cncc(N[C@@H]2C[C@H]2C)n1 ZINC000123626009 167312238 /nfs/dbraw/zinc/31/22/38/167312238.db2.gz BFZOSZSJJCWYJC-RKDXNWHRSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1nc(NC2CCC2)ccc1N ZINC000052207533 167313002 /nfs/dbraw/zinc/31/30/02/167313002.db2.gz MRMLQUDFSRMDSJ-UHFFFAOYSA-N 0 0 221.304 2.415 10 0 BEAERN CC(C)Oc1ncc(OC2CC2)cc1C=O ZINC000095723957 167314318 /nfs/dbraw/zinc/31/43/18/167314318.db2.gz WDDMJCAOLGGYEO-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1nc(OC2CCC2)ccc1N ZINC000050519029 167314741 /nfs/dbraw/zinc/31/47/41/167314741.db2.gz DKJGCEPRQWDGCF-UHFFFAOYSA-N 0 0 222.288 2.382 10 0 BEAERN CC(C)Sc1ccc2c(c1)NC(=O)[C@@H]2N ZINC000037685962 167339550 /nfs/dbraw/zinc/33/95/50/167339550.db2.gz FRFXNLAIRLWBRN-SNVBAGLBSA-N 0 0 222.313 2.139 10 0 BEAERN CC(C)[C@@H](C)N(C)C(=O)c1ccc(N)cc1 ZINC000036786347 167366344 /nfs/dbraw/zinc/36/63/44/167366344.db2.gz CIZVXPATEIVMTK-SNVBAGLBSA-N 0 0 220.316 2.385 10 0 BEAERN CC(C)[C@@H](C)NC(=O)/C=C/c1ccco1 ZINC000298066710 167371195 /nfs/dbraw/zinc/37/11/95/167371195.db2.gz CNLCCXMHTPVWPM-VQCYPWCPSA-N 0 0 207.273 2.454 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1nccs1 ZINC000174110790 167375532 /nfs/dbraw/zinc/37/55/32/167375532.db2.gz MIVFJFTYLRXECQ-SECBINFHSA-N 0 0 241.360 2.329 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Nc1ccncc1F ZINC000124805532 167376668 /nfs/dbraw/zinc/37/66/68/167376668.db2.gz UNBNGZVZUKEBRL-MRVPVSSYSA-N 0 0 225.267 2.387 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc2nccnc2n1 ZINC000082666548 167387673 /nfs/dbraw/zinc/38/76/73/167387673.db2.gz ZBCCZKGLEFYLQW-SECBINFHSA-N 0 0 216.288 2.481 10 0 BEAERN O=C(C[C@H]1CCCO1)NCCC1CCCC1 ZINC000046754158 410992439 /nfs/dbraw/zinc/99/24/39/410992439.db2.gz HQUCNTOYVYFEAC-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN FC(F)(F)c1cc(N2CCCCN2)ccn1 ZINC000400209650 411151480 /nfs/dbraw/zinc/15/14/80/411151480.db2.gz OWMWMXOFVOEPCQ-UHFFFAOYSA-N 0 0 231.221 2.205 10 0 BEAERN CCCn1nccc1NC(=O)N[C@H](C)C(C)C ZINC000043722901 411125940 /nfs/dbraw/zinc/12/59/40/411125940.db2.gz QJKWUBHYCCICFC-SNVBAGLBSA-N 0 0 238.335 2.459 10 0 BEAERN CCCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111438915 411168666 /nfs/dbraw/zinc/16/86/66/411168666.db2.gz JAINEBMIPBJTLL-CHWSQXEVSA-N 0 0 232.327 2.499 10 0 BEAERN CCOC(=O)CC1(C)CCC2(CC1)OCCO2 ZINC000584615534 411170103 /nfs/dbraw/zinc/17/01/03/411170103.db2.gz MKXOMWOFRSYWGP-UHFFFAOYSA-N 0 0 242.315 2.263 10 0 BEAERN CO[C@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116044237 411181794 /nfs/dbraw/zinc/18/17/94/411181794.db2.gz BZPFZEIBMUWXRH-MNOVXSKESA-N 0 0 237.299 2.368 10 0 BEAERN CNc1nc([C@H]2SCCS[C@H]2C)no1 ZINC000228182558 411182843 /nfs/dbraw/zinc/18/28/43/411182843.db2.gz LZUPRFKGYISCHX-WDSKDSINSA-N 0 0 231.346 2.021 10 0 BEAERN CC(C)n1cc(N)cc1C(=O)N1CCC[C@H]1C ZINC000037909649 167752447 /nfs/dbraw/zinc/75/24/47/167752447.db2.gz SQYBNUKUWOFECD-SNVBAGLBSA-N 0 0 235.331 2.276 10 0 BEAERN CCc1cc(NC(=O)c2cccs2)n[nH]1 ZINC000049138934 411225975 /nfs/dbraw/zinc/22/59/75/411225975.db2.gz MUIJNTPXBAKDJN-UHFFFAOYSA-N 0 0 221.285 2.286 10 0 BEAERN CCc1cc(NC(=O)c2ccccc2)n[nH]1 ZINC000049138861 411226096 /nfs/dbraw/zinc/22/60/96/411226096.db2.gz AKICZYFUQMINIU-UHFFFAOYSA-N 0 0 215.256 2.224 10 0 BEAERN CCc1cc(NC(=O)c2occc2C)n[nH]1 ZINC000049139136 411226174 /nfs/dbraw/zinc/22/61/74/411226174.db2.gz WRLWEWAZUKNSFM-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H]2C[C@@H](O)C2(C)C)n1 ZINC000129142733 411233036 /nfs/dbraw/zinc/23/30/36/411233036.db2.gz NPOMNKDVZWIHDN-NWDGAFQWSA-N 0 0 249.358 2.480 10 0 BEAERN CCN(CC)c1nc(Cl)nc(OC(C)C)n1 ZINC000061519777 169805606 /nfs/dbraw/zinc/80/56/06/169805606.db2.gz WZNLMPMXXFKLOA-UHFFFAOYSA-N 0 0 244.726 2.158 10 0 BEAERN COc1ccc(C)cc1Cn1nc(C)c(N)c1C ZINC000050703924 411265130 /nfs/dbraw/zinc/26/51/30/411265130.db2.gz VTKXGUUKRUONPJ-UHFFFAOYSA-N 0 0 245.326 2.447 10 0 BEAERN CC1(C)CCCC[C@H]1CC(=O)N1CC(CO)C1 ZINC000122420158 167894881 /nfs/dbraw/zinc/89/48/81/167894881.db2.gz OCVMYFVSLTXWBN-LBPRGKRZSA-N 0 0 239.359 2.044 10 0 BEAERN COC(=O)C[C@H](CC(C)=O)c1ccccc1 ZINC000034591038 411316832 /nfs/dbraw/zinc/31/68/32/411316832.db2.gz GLXFIFCVMRMRNN-LBPRGKRZSA-N 0 0 220.268 2.312 10 0 BEAERN CCC[N@H+](Cc1ncccc1C(=O)[O-])C1CC1 ZINC000304193094 411353143 /nfs/dbraw/zinc/35/31/43/411353143.db2.gz VTOYNOLMFISHPW-UHFFFAOYSA-N 0 0 234.299 2.154 10 0 BEAERN CC1(C)C[C@@H]1Nc1nsnc1Cl ZINC000045140327 167989650 /nfs/dbraw/zinc/98/96/50/167989650.db2.gz DLAXGYOAGPTWME-BYPYZUCNSA-N 0 0 203.698 2.402 10 0 BEAERN Clc1nccnc1S[C@H]1CCOC1 ZINC000575596886 411341975 /nfs/dbraw/zinc/34/19/75/411341975.db2.gz OOYKEQRTOBUONM-LURJTMIESA-N 0 0 216.693 2.011 10 0 BEAERN CC1=C(N)C[C@@](C)(O)C(c2ccccc2)=C1 ZINC000039109416 168087756 /nfs/dbraw/zinc/08/77/56/168087756.db2.gz IMUHCLYSJKXLCV-CQSZACIVSA-N 0 0 215.296 2.457 10 0 BEAERN CC1=CC(=O)N(c2c(C)cccc2C)C1=O ZINC000005619875 168091967 /nfs/dbraw/zinc/09/19/67/168091967.db2.gz SLRSOTGOGNYGPW-UHFFFAOYSA-N 0 0 215.252 2.123 10 0 BEAERN CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000336680800 168104732 /nfs/dbraw/zinc/10/47/32/168104732.db2.gz RHCKUNMQKMGBRV-SRVKXCTJSA-N 0 0 225.332 2.432 10 0 BEAERN CC1=CN2c3ccccc3S[C@@H]2N1CO ZINC000100337829 168122153 /nfs/dbraw/zinc/12/21/53/168122153.db2.gz WQCCXAUEBSEFBC-NSHDSACASA-N 0 0 220.297 2.009 10 0 BEAERN CC1=CC[C@]2(C)CS(=O)(=O)C[C@@]2(C)C1 ZINC000206579248 168122327 /nfs/dbraw/zinc/12/23/27/168122327.db2.gz NZRUDSFCUBXEEP-GHMZBOCLSA-N 0 0 214.330 2.168 10 0 BEAERN CC1=C[C@@H](c2ccccc2)Nc2ncnn21 ZINC000045285943 168126602 /nfs/dbraw/zinc/12/66/02/168126602.db2.gz ICFIXKXTMKXEFG-NSHDSACASA-N 0 0 212.256 2.306 10 0 BEAERN CC1=NN(c2ccccc2N)C(=O)[C@H]1C(C)C ZINC000103732897 168135571 /nfs/dbraw/zinc/13/55/71/168135571.db2.gz LBGMETQTNRWSEJ-LBPRGKRZSA-N 0 0 231.299 2.264 10 0 BEAERN Cc1[nH][nH]c(=O)c1Cc1cccc(Cl)c1 ZINC000100127822 168136011 /nfs/dbraw/zinc/13/60/11/168136011.db2.gz QDLNBBAGLOOKPI-SNVBAGLBSA-N 0 0 222.675 2.004 10 0 BEAERN Cc1[nH][nH]c(=O)c1Cc1cccc(Cl)c1 ZINC000100127826 168136988 /nfs/dbraw/zinc/13/69/88/168136988.db2.gz QDLNBBAGLOOKPI-JTQLQIEISA-N 0 0 222.675 2.004 10 0 BEAERN CC1=CSc2ccccc2C2=NCCN21 ZINC000095923773 168139329 /nfs/dbraw/zinc/13/93/29/168139329.db2.gz BMSDKJOMYQEVPU-UHFFFAOYSA-N 0 0 216.309 2.188 10 0 BEAERN C[C@@H](CC(=O)[O-])[N@H+](C)C1CCC(C)CC1 ZINC000042487882 168160200 /nfs/dbraw/zinc/16/02/00/168160200.db2.gz OEKBRCIUQAQCCY-YVNMAJEFSA-N 0 0 213.321 2.360 10 0 BEAERN CC1CCC(OC(=O)c2cc(N)c[nH]2)CC1 ZINC000041046727 168166489 /nfs/dbraw/zinc/16/64/89/168166489.db2.gz OKWXEDPFDLINFM-UHFFFAOYSA-N 0 0 222.288 2.332 10 0 BEAERN C[C@H]1CN(C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000127546948 168173536 /nfs/dbraw/zinc/17/35/36/168173536.db2.gz UNSQMTQXTDINCG-RYUDHWBXSA-N 0 0 224.348 2.426 10 0 BEAERN CC1CCN(C(=O)N2CCS[C@H](C)C2)CC1 ZINC000127848652 168173681 /nfs/dbraw/zinc/17/36/81/168173681.db2.gz NBTNTJJFYXGPHE-LLVKDONJSA-N 0 0 242.388 2.276 10 0 BEAERN CC1CC[NH+](Cc2cccnc2C(=O)[O-])CC1 ZINC000062749971 168184626 /nfs/dbraw/zinc/18/46/26/168184626.db2.gz XJKSNSTYBFHSIH-UHFFFAOYSA-N 0 0 234.299 2.012 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ccc(N)nc1 ZINC000616615797 411390678 /nfs/dbraw/zinc/39/06/78/411390678.db2.gz SRXMGKQIQBGTNH-NSHDSACASA-N 0 0 249.314 2.178 10 0 BEAERN CCC(=O)NC[C@H]1C[C@@H]1c1cccc2c1CCO2 ZINC000000007359 168233771 /nfs/dbraw/zinc/23/37/71/168233771.db2.gz PTOIAAWZLUQTIO-MFKMUULPSA-N 0 0 245.322 2.251 10 0 BEAERN CCC(=O)Nc1cccc(NCc2ncc[nH]2)c1 ZINC000049714685 168245107 /nfs/dbraw/zinc/24/51/07/168245107.db2.gz CJSAQCYAHDFWRV-UHFFFAOYSA-N 0 0 244.298 2.370 10 0 BEAERN CCC(=O)c1ccc(Br)cn1 ZINC000095761466 168254692 /nfs/dbraw/zinc/25/46/92/168254692.db2.gz RUUTUNOCCNRQGP-UHFFFAOYSA-N 0 0 214.062 2.437 10 0 BEAERN CCC(=O)Nc1cccc(N[C@H](C)COC)c1 ZINC000053172541 168246102 /nfs/dbraw/zinc/24/61/02/168246102.db2.gz LCHTVORKKGXESC-SNVBAGLBSA-N 0 0 236.315 2.482 10 0 BEAERN CCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000083069059 168253622 /nfs/dbraw/zinc/25/36/22/168253622.db2.gz QXPODYGRSAPFDR-VIFPVBQESA-N 0 0 227.304 2.223 10 0 BEAERN CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000019390938 168257377 /nfs/dbraw/zinc/25/73/77/168257377.db2.gz FHDSHXBLFPCMRI-UHFFFAOYSA-N 0 0 203.241 2.164 10 0 BEAERN CCC(=O)c1ccccc1OCc1ncon1 ZINC000020253878 168258911 /nfs/dbraw/zinc/25/89/11/168258911.db2.gz PGTREFHLFLLQCU-UHFFFAOYSA-N 0 0 232.239 2.241 10 0 BEAERN CCC(C)(C)C(=O)N[C@@]1(CO)CCC[C@H](C)C1 ZINC000054403761 168267461 /nfs/dbraw/zinc/26/74/61/168267461.db2.gz VBTKZZOCZCVXTK-FZMZJTMJSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)NC(=O)c1cc(NC)ccn1 ZINC000050724387 168296193 /nfs/dbraw/zinc/29/61/93/168296193.db2.gz GIXAWGZSSZMOOJ-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCC(C)(C)NC(=O)c1cnn2c1CCCC2 ZINC000125922997 168297384 /nfs/dbraw/zinc/29/73/84/168297384.db2.gz ZXRQHWOVWWDRHY-UHFFFAOYSA-N 0 0 235.331 2.138 10 0 BEAERN CCC(C)(C)NC(=O)c1cccc(C)c1N ZINC000022144587 168297449 /nfs/dbraw/zinc/29/74/49/168297449.db2.gz RTVDEPNGAICDDR-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN CCC(C)(C)NC(=O)c1ccccc1N ZINC000021958848 168298193 /nfs/dbraw/zinc/29/81/93/168298193.db2.gz GGGYMSMDQGKDCP-UHFFFAOYSA-N 0 0 206.289 2.187 10 0 BEAERN CCC(C)(C)Nc1ncccc1C(N)=S ZINC000019472282 168303160 /nfs/dbraw/zinc/30/31/60/168303160.db2.gz MQMTYJPBVWBDAP-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN CCC(C)(C)Nc1ccnc(C(N)=S)c1 ZINC000061811787 168303357 /nfs/dbraw/zinc/30/33/57/168303357.db2.gz APMTZYUWGPFALN-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN CCC(C)(CC)NC(=O)N[C@H](C)CCOC ZINC000121142438 168308414 /nfs/dbraw/zinc/30/84/14/168308414.db2.gz JNVQUGOISVJZEO-SNVBAGLBSA-N 0 0 230.352 2.289 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@@H](O)C2CC2)n1 ZINC000122449731 411433143 /nfs/dbraw/zinc/43/31/43/411433143.db2.gz KYFIMSVHVWUYBZ-GFCCVEGCSA-N 0 0 235.331 2.091 10 0 BEAERN Cc1cc(C(C)C)nc(NCc2ccnn2C)n1 ZINC000122449944 411433196 /nfs/dbraw/zinc/43/31/96/411433196.db2.gz YYKZZCVEVOUQLK-UHFFFAOYSA-N 0 0 245.330 2.254 10 0 BEAERN Cc1cc(C(C)C)nc(NCC(C)(C)CO)n1 ZINC000122502923 411434443 /nfs/dbraw/zinc/43/44/43/411434443.db2.gz VOXZMZCFNUDHAK-UHFFFAOYSA-N 0 0 237.347 2.339 10 0 BEAERN CCOC(=O)c1cn(C)nc1-c1ccc(F)cc1 ZINC000222847813 411445298 /nfs/dbraw/zinc/44/52/98/411445298.db2.gz QIHFIRAASPIFBG-UHFFFAOYSA-N 0 0 248.257 2.403 10 0 BEAERN CCN(Cc1ccc(OC)cc1)C(=O)CC(C)=O ZINC000037839396 169907989 /nfs/dbraw/zinc/90/79/89/169907989.db2.gz QNKDRIZMQKJLHB-UHFFFAOYSA-N 0 0 249.310 2.023 10 0 BEAERN CCN(Cc1cccc(F)c1)C(=O)CC(C)=O ZINC000037839172 169910385 /nfs/dbraw/zinc/91/03/85/169910385.db2.gz HCYVYCMRIHYVCZ-UHFFFAOYSA-N 0 0 237.274 2.153 10 0 BEAERN Cc1c[nH]c(CN[C@@H](C)c2ccc(C)o2)n1 ZINC000657292799 411453264 /nfs/dbraw/zinc/45/32/64/411453264.db2.gz TYGCGMXUVJAHCX-JTQLQIEISA-N 0 0 219.288 2.470 10 0 BEAERN Clc1cnc(N2CCCCN2)c(Cl)c1 ZINC000306976742 411464241 /nfs/dbraw/zinc/46/42/41/411464241.db2.gz YZOPGXBKZGQKLC-UHFFFAOYSA-N 0 0 232.114 2.493 10 0 BEAERN CCN(c1ccccc1)c1ccc(N)nn1 ZINC000077306430 169943850 /nfs/dbraw/zinc/94/38/50/169943850.db2.gz KEMNDUZGOXQOIG-UHFFFAOYSA-N 0 0 214.272 2.217 10 0 BEAERN CCN(c1nc2ccccn2c1C=O)C1CC1 ZINC000035433218 169944355 /nfs/dbraw/zinc/94/43/55/169944355.db2.gz IZTRQIMZHZKSAF-UHFFFAOYSA-N 0 0 229.283 2.136 10 0 BEAERN Cc1csc(CN(C)c2ccccn2)n1 ZINC000301282708 411493852 /nfs/dbraw/zinc/49/38/52/411493852.db2.gz LGYHUZRSQFTPDC-UHFFFAOYSA-N 0 0 219.313 2.483 10 0 BEAERN Cc1nccc(N2CCCCN2)c1Cl ZINC000307098392 411465363 /nfs/dbraw/zinc/46/53/63/411465363.db2.gz VYOROAQLCMTIKJ-UHFFFAOYSA-N 0 0 211.696 2.148 10 0 BEAERN CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121523743 170031170 /nfs/dbraw/zinc/03/11/70/170031170.db2.gz ZEAJKYPOTZQPEH-JOYOIKCWSA-N 0 0 227.254 2.092 10 0 BEAERN CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246938922 170040377 /nfs/dbraw/zinc/04/03/77/170040377.db2.gz ZEAJKYPOTZQPEH-SKDRFNHKSA-N 0 0 227.254 2.092 10 0 BEAERN CCNC(=O)CCCc1ccc(C)cc1 ZINC000044264720 170048804 /nfs/dbraw/zinc/04/88/04/170048804.db2.gz LXWFEGBXXVWONV-UHFFFAOYSA-N 0 0 205.301 2.454 10 0 BEAERN CCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176365737 170073154 /nfs/dbraw/zinc/07/31/54/170073154.db2.gz GIIWJSCAWBCOIM-SECBINFHSA-N 0 0 239.344 2.400 10 0 BEAERN CCNC(=O)Nc1c(C)ccc(N)c1C ZINC000036949195 170083467 /nfs/dbraw/zinc/08/34/67/170083467.db2.gz UURUUEQXIJYQGJ-UHFFFAOYSA-N 0 0 207.277 2.027 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(C)cc(C)c1 ZINC000020308290 170088999 /nfs/dbraw/zinc/08/89/99/170088999.db2.gz LRHZLZGVSWQTRY-LLVKDONJSA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc2ccccc2n1 ZINC000042209659 170089195 /nfs/dbraw/zinc/08/91/95/170089195.db2.gz RZSXFZUSPWAZAT-SNVBAGLBSA-N 0 0 243.310 2.171 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cccc(C)c1C ZINC000020306579 170089562 /nfs/dbraw/zinc/08/95/62/170089562.db2.gz FABSWIHWDTUUFI-LLVKDONJSA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@@H](C)Sc1ccc(F)cc1N ZINC000037195111 170089786 /nfs/dbraw/zinc/08/97/86/170089786.db2.gz NHZZQHVBQUYMMU-SSDOTTSWSA-N 0 0 242.319 2.025 10 0 BEAERN CCNC(=O)[C@@H](C)Sc1ccc(C)cc1N ZINC000037193155 170090324 /nfs/dbraw/zinc/09/03/24/170090324.db2.gz HTSDOFAZLIHWPM-SECBINFHSA-N 0 0 238.356 2.194 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(C)cc1F ZINC000020359972 170096988 /nfs/dbraw/zinc/09/69/88/170096988.db2.gz UFAYYQDUNFPGJP-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cccc(C)c1C ZINC000020306581 170097021 /nfs/dbraw/zinc/09/70/21/170097021.db2.gz FABSWIHWDTUUFI-NSHDSACASA-N 0 0 220.316 2.240 10 0 BEAERN CCNC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000019488473 170099104 /nfs/dbraw/zinc/09/91/04/170099104.db2.gz WJTOLXVWWOKPJN-KOLCDFICSA-N 0 0 218.300 2.110 10 0 BEAERN CCNC(=O)c1cc(NC(CC)CC)ccn1 ZINC000035673950 170100432 /nfs/dbraw/zinc/10/04/32/170100432.db2.gz KOVMBCSRPMEQTC-UHFFFAOYSA-N 0 0 235.331 2.432 10 0 BEAERN CCNC(=O)c1ccc(N)c(NCCC(C)C)c1 ZINC000103967018 170101993 /nfs/dbraw/zinc/10/19/93/170101993.db2.gz AYYYKRQVLOSJMS-UHFFFAOYSA-N 0 0 249.358 2.477 10 0 BEAERN CC[NH2+]CCCNc1ccc(C(=O)[O-])cc1C ZINC000063059777 170112721 /nfs/dbraw/zinc/11/27/21/170112721.db2.gz ORYIMQDNFBJLLR-UHFFFAOYSA-N 0 0 236.315 2.105 10 0 BEAERN CCNCc1noc(C[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000051860531 170131931 /nfs/dbraw/zinc/13/19/31/170131931.db2.gz PPNVGLPQNTXSCO-HBNTYKKESA-N 0 0 235.331 2.158 10 0 BEAERN CCN[C@@H](c1nccs1)c1cccnc1 ZINC000041060964 170164696 /nfs/dbraw/zinc/16/46/96/170164696.db2.gz WEHNJPSKLBTUSR-SNVBAGLBSA-N 0 0 219.313 2.237 10 0 BEAERN CCN[C@@H](c1ccccc1C)c1ncccn1 ZINC000037536336 170164793 /nfs/dbraw/zinc/16/47/93/170164793.db2.gz QGBZDVUFYIFLFE-ZDUSSCGKSA-N 0 0 227.311 2.484 10 0 BEAERN Cc1c(C[NH2+]C[C@H](C)c2ccccn2)cnn1C ZINC000657536319 411545821 /nfs/dbraw/zinc/54/58/21/411545821.db2.gz VPVSWXIZBUDUSX-NSHDSACASA-N 0 0 244.342 2.017 10 0 BEAERN CC[NH2+][C@H]1c2ccc(F)c(F)c2O[C@@H]1C ZINC000062611523 170169375 /nfs/dbraw/zinc/16/93/75/170169375.db2.gz MOWNCBLLAQETIN-LHLIQPBNSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@H]1c2cc(OC)ccc2O[C@@H]1C ZINC000049851030 170169432 /nfs/dbraw/zinc/16/94/32/170169432.db2.gz UDCJVHJGFANVAR-PRHODGIISA-N 0 0 207.273 2.127 10 0 BEAERN CC[NH2+][C@H]1c2c(cc(F)cc2F)O[C@@H]1C ZINC000054932067 170169754 /nfs/dbraw/zinc/16/97/54/170169754.db2.gz LVHJZZCWWDHWDR-KSBSHMNSSA-N 0 0 213.227 2.396 10 0 BEAERN CCNc1cc(C(=O)NC[C@@H](C)CC)ccn1 ZINC000054492434 170171074 /nfs/dbraw/zinc/17/10/74/170171074.db2.gz XFQLFPDBZDCEFV-JTQLQIEISA-N 0 0 235.331 2.289 10 0 BEAERN CCNc1c(F)cccc1C(=O)Nc1ccon1 ZINC000061684793 170171086 /nfs/dbraw/zinc/17/10/86/170171086.db2.gz JNPFABDPVNWCNZ-UHFFFAOYSA-N 0 0 249.245 2.498 10 0 BEAERN CCNc1cc(C(=O)N[C@H]2CC2(C)C)ccn1 ZINC000050776889 170171495 /nfs/dbraw/zinc/17/14/95/170171495.db2.gz WIASRHDFCZLFDX-JTQLQIEISA-N 0 0 233.315 2.042 10 0 BEAERN CCNc1cc(C(=O)NC)nc2ccccc21 ZINC000103921531 170171599 /nfs/dbraw/zinc/17/15/99/170171599.db2.gz YHXBUFYUGXTMGB-UHFFFAOYSA-N 0 0 229.283 2.026 10 0 BEAERN CCNc1cc(OC)nc(C(C)(C)C)n1 ZINC000082492281 170172988 /nfs/dbraw/zinc/17/29/88/170172988.db2.gz IBAMTHDTNBNQAX-UHFFFAOYSA-N 0 0 209.293 2.215 10 0 BEAERN CCNc1nc(Cl)nc2c1CCCC2 ZINC000082501307 170177182 /nfs/dbraw/zinc/17/71/82/170177182.db2.gz SEOWQUVVCLOUQG-UHFFFAOYSA-N 0 0 211.696 2.441 10 0 BEAERN CCNc1ccc(C(N)=S)cc1Cl ZINC000062795065 170173424 /nfs/dbraw/zinc/17/34/24/170173424.db2.gz VOCSLOVLAZFNPD-UHFFFAOYSA-N 0 0 214.721 2.406 10 0 BEAERN CCNc1ccc(C(=O)NC[C@@H](C)CC)cn1 ZINC000054492598 170173494 /nfs/dbraw/zinc/17/34/94/170173494.db2.gz XWCZEJWGEYDRQU-JTQLQIEISA-N 0 0 235.331 2.289 10 0 BEAERN CCNc1ccc(C)cc1C(=O)N(C)C ZINC000053000059 170173930 /nfs/dbraw/zinc/17/39/30/170173930.db2.gz AHDGIYHRTMQMMZ-UHFFFAOYSA-N 0 0 206.289 2.129 10 0 BEAERN CCNc1ccc(Cn2cc(C)cn2)cn1 ZINC000050829626 170174673 /nfs/dbraw/zinc/17/46/73/170174673.db2.gz WPTFOZOYBHDVLJ-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCNc1ccnc(C(=O)N[C@H](C)C(C)C)c1 ZINC000050746005 170175184 /nfs/dbraw/zinc/17/51/84/170175184.db2.gz ORNMGHHAYFUAIU-SNVBAGLBSA-N 0 0 235.331 2.288 10 0 BEAERN CCNc1nc(-c2ccc(F)c(F)c2)no1 ZINC000053750330 170175589 /nfs/dbraw/zinc/17/55/89/170175589.db2.gz OIDLMCFABRIASQ-UHFFFAOYSA-N 0 0 225.198 2.447 10 0 BEAERN CCNc1nc(C(=O)N[C@@H](C)C(C)C)cs1 ZINC000176952043 170175932 /nfs/dbraw/zinc/17/59/32/170175932.db2.gz RGMRLLRAKXDIQR-QMMMGPOBSA-N 0 0 241.360 2.349 10 0 BEAERN CCNc1nc(-c2cnn(CC)c2)cs1 ZINC000061714335 170176267 /nfs/dbraw/zinc/17/62/67/170176267.db2.gz UWVXUFPOOBSBLN-UHFFFAOYSA-N 0 0 222.317 2.458 10 0 BEAERN CCNc1nc(C(F)(F)F)nc(Cl)c1N ZINC000001691575 170176285 /nfs/dbraw/zinc/17/62/85/170176285.db2.gz MHWRXDYBLKRTFI-UHFFFAOYSA-N 0 0 240.616 2.163 10 0 BEAERN CCNc1ncccc1C(=O)N(C)[C@H](C)C1CC1 ZINC000050755292 170178035 /nfs/dbraw/zinc/17/80/35/170178035.db2.gz WQUHRFDGPYMSIO-SNVBAGLBSA-N 0 0 247.342 2.384 10 0 BEAERN CCNc1ncccc1C(=O)NC(CC)CC ZINC000050725747 170178091 /nfs/dbraw/zinc/17/80/91/170178091.db2.gz XMYRPEGYXFEOJC-UHFFFAOYSA-N 0 0 235.331 2.432 10 0 BEAERN CCNc1ncnc2c1cnn2[C@H](C)CC ZINC000062367252 170178332 /nfs/dbraw/zinc/17/83/32/170178332.db2.gz ASXPYEZKXLZJEQ-MRVPVSSYSA-N 0 0 219.292 2.229 10 0 BEAERN CCNc1ncccc1CN1CCSCC1 ZINC000052709543 170178476 /nfs/dbraw/zinc/17/84/76/170178476.db2.gz GOGLVSQXQQGLMS-UHFFFAOYSA-N 0 0 237.372 2.062 10 0 BEAERN CCNc1ncnc(NC2CCCCC2)c1N ZINC000040707200 170178527 /nfs/dbraw/zinc/17/85/27/170178527.db2.gz OBMZXQCVYOXFKC-UHFFFAOYSA-N 0 0 235.335 2.235 10 0 BEAERN CCNc1ncnc2ccc(OC)cc21 ZINC000032544138 170178646 /nfs/dbraw/zinc/17/86/46/170178646.db2.gz JWGFNUMXXBCYQZ-UHFFFAOYSA-N 0 0 203.245 2.070 10 0 BEAERN CCNc1snnc1CN1CCC[C@H](C)C1 ZINC000050792459 170178918 /nfs/dbraw/zinc/17/89/18/170178918.db2.gz OFPVDRCSNBXJNA-VIFPVBQESA-N 0 0 240.376 2.202 10 0 BEAERN CCNc1snnc1CN1CCCC[C@@H]1C ZINC000050792280 170178939 /nfs/dbraw/zinc/17/89/39/170178939.db2.gz SYWVRSOXKCSEPW-VIFPVBQESA-N 0 0 240.376 2.344 10 0 BEAERN CCO/C=C1\N=C(c2ccc(C)cc2)OC1=O ZINC000034107420 170179596 /nfs/dbraw/zinc/17/95/96/170179596.db2.gz KVPONSNRADDPRX-FLIBITNWSA-N 0 0 231.251 2.176 10 0 BEAERN CCOC(=O)/C(=C/N(C)C)c1ccc(OC)cc1 ZINC000101510227 170180363 /nfs/dbraw/zinc/18/03/63/170180363.db2.gz NARLTIVUIJDWCO-JLHYYAGUSA-N 0 0 249.310 2.161 10 0 BEAERN CCOC(=N)[C@H](O)c1ccc(Cl)cc1 ZINC000211758324 170180506 /nfs/dbraw/zinc/18/05/06/170180506.db2.gz WJXGFNVAIKLVLM-SECBINFHSA-N 0 0 213.664 2.387 10 0 BEAERN CCOC(=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000043504316 170183689 /nfs/dbraw/zinc/18/36/89/170183689.db2.gz MJBDDGCNBBTRDO-UHFFFAOYSA-N 0 0 236.311 2.335 10 0 BEAERN CCOC(=O)C(C)(C)NCCc1ccccc1 ZINC000118863340 170187612 /nfs/dbraw/zinc/18/76/12/170187612.db2.gz OQWFURFFNIVDLH-UHFFFAOYSA-N 0 0 235.327 2.160 10 0 BEAERN CCOC(=O)C1(Nc2ccccc2)CCOCC1 ZINC000037954333 170190296 /nfs/dbraw/zinc/19/02/96/170190296.db2.gz HVCGWIXTHXTJIN-UHFFFAOYSA-N 0 0 249.310 2.211 10 0 BEAERN CCOC(=O)CN(c1ncccc1C)C(C)C ZINC000051041446 170217835 /nfs/dbraw/zinc/21/78/35/170217835.db2.gz UWCSNDVTKIAGRQ-UHFFFAOYSA-N 0 0 236.315 2.168 10 0 BEAERN CCOC(=O)CNCCC1=CCCCC1 ZINC000034408937 170225175 /nfs/dbraw/zinc/22/51/75/170225175.db2.gz IDERBBVTQYHMJZ-UHFFFAOYSA-N 0 0 211.305 2.030 10 0 BEAERN CCOC(=O)COc1ccccc1C(=O)CC ZINC000019488701 170229452 /nfs/dbraw/zinc/22/94/52/170229452.db2.gz BCBBSVVVKPVZPW-UHFFFAOYSA-N 0 0 236.267 2.221 10 0 BEAERN CCOC(=O)CSc1cc(Cl)ccn1 ZINC000091369036 170229918 /nfs/dbraw/zinc/22/99/18/170229918.db2.gz RGKUZEZQHXSHOM-UHFFFAOYSA-N 0 0 231.704 2.390 10 0 BEAERN CCOC(=O)C[C@@H]1CNc2ccccc21 ZINC000086560043 170231726 /nfs/dbraw/zinc/23/17/26/170231726.db2.gz DTSRJUYUJHDFEN-SECBINFHSA-N 0 0 205.257 2.149 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(Cl)cn1 ZINC000095761796 170234895 /nfs/dbraw/zinc/23/48/95/170234895.db2.gz PFAZEAUJKPEQGQ-UHFFFAOYSA-N 0 0 234.082 2.494 10 0 BEAERN CCOC(=O)Cc1nc(Cl)ccc1C ZINC000095763981 170236717 /nfs/dbraw/zinc/23/67/17/170236717.db2.gz MXLNPZNEHNXUTC-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000036744416 170241087 /nfs/dbraw/zinc/24/10/87/170241087.db2.gz WSDLAFUFOKDWLU-QMMMGPOBSA-N 0 0 220.272 2.176 10 0 BEAERN CCOC(=O)N[C@@H](C)c1ccc(N)cc1 ZINC000037178842 170242295 /nfs/dbraw/zinc/24/22/95/170242295.db2.gz WFJHNRYTVHNJOO-QMMMGPOBSA-N 0 0 208.261 2.076 10 0 BEAERN CCOC(=O)[C@@H](C)N(C)c1ccccc1 ZINC000005499696 170247123 /nfs/dbraw/zinc/24/71/23/170247123.db2.gz CZAVXCLGNKBHFF-SNVBAGLBSA-N 0 0 207.273 2.074 10 0 BEAERN CCOC(=O)[C@@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116289087 170247332 /nfs/dbraw/zinc/24/73/32/170247332.db2.gz SUMGQCUWGSQVDU-GHMZBOCLSA-N 0 0 237.299 2.368 10 0 BEAERN CCOC(=O)[C@@H](CC)Oc1cccc(C=O)c1 ZINC000084103699 170251125 /nfs/dbraw/zinc/25/11/25/170251125.db2.gz AQRPXMKEQROBLI-GFCCVEGCSA-N 0 0 236.267 2.220 10 0 BEAERN CCOC(=O)[C@@H](NCC1CC1)c1ccccc1 ZINC000037968175 170255161 /nfs/dbraw/zinc/25/51/61/170255161.db2.gz DZOIERXEGXYYHR-ZDUSSCGKSA-N 0 0 233.311 2.290 10 0 BEAERN CCOC(=O)[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000076162389 170256525 /nfs/dbraw/zinc/25/65/25/170256525.db2.gz SJDUWUFMYCTKCR-VIFPVBQESA-N 0 0 232.638 2.076 10 0 BEAERN CCOC(=O)[C@H](C(=O)Cc1ccccc1)C1CC1 ZINC000095803867 170264011 /nfs/dbraw/zinc/26/40/11/170264011.db2.gz LYPYTYDZQSVGLP-AWEZNQCLSA-N 0 0 246.306 2.388 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H]1CCOc2ccccc21 ZINC000049367691 170268404 /nfs/dbraw/zinc/26/84/04/170268404.db2.gz WNRXVSVZNIMFEH-CMPLNLGQSA-N 0 0 249.310 2.051 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000049367490 170268590 /nfs/dbraw/zinc/26/85/90/170268590.db2.gz XSABTWOVQFONEX-ZJUUUORDSA-N 0 0 239.290 2.428 10 0 BEAERN CCOC(=O)[C@H](C)Nc1cccc(F)c1 ZINC000037962206 170269101 /nfs/dbraw/zinc/26/91/01/170269101.db2.gz SOLFGZJIGXAZDG-QMMMGPOBSA-N 0 0 211.236 2.189 10 0 BEAERN CCOC(=O)[C@H](CC)Nc1cccc(OC)c1 ZINC000037961352 170272413 /nfs/dbraw/zinc/27/24/13/170272413.db2.gz KCSOGTJYBOHWLI-LBPRGKRZSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)[C@H](N)c1ccc2ccccc2c1 ZINC000034856992 170276961 /nfs/dbraw/zinc/27/69/61/170276961.db2.gz UTEANATWINVRDV-CYBMUJFWSA-N 0 0 229.279 2.403 10 0 BEAERN CCOC(=O)[C@H](O)c1cc(Cl)ccc1F ZINC000075903416 170278242 /nfs/dbraw/zinc/27/82/42/170278242.db2.gz FAZWSXLODJMPDP-SECBINFHSA-N 0 0 232.638 2.076 10 0 BEAERN CCOC(=O)C1=C(O)C[C@H](C(C)(C)C)C1 ZINC000325928394 170282203 /nfs/dbraw/zinc/28/22/03/170282203.db2.gz FRXDASMHSYVCHD-BDAKNGLRSA-N 0 0 212.289 2.191 10 0 BEAERN CCOC(=O)C1=C(O)CC2(CCCCC2)S1 ZINC000095835919 170282618 /nfs/dbraw/zinc/28/26/18/170282618.db2.gz HRTHZTZMEIXVQL-JTQLQIEISA-N 0 0 242.340 2.327 10 0 BEAERN CCOC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000106027426 170283111 /nfs/dbraw/zinc/28/31/11/170283111.db2.gz LUVILPNBVOTAFU-SNVBAGLBSA-N 0 0 226.659 2.207 10 0 BEAERN CCOC(=O)c1c(C)[nH]c2cc(N)ccc21 ZINC000040448598 170287802 /nfs/dbraw/zinc/28/78/02/170287802.db2.gz NWBBCKJLJLKQNY-UHFFFAOYSA-N 0 0 218.256 2.235 10 0 BEAERN CCOC(=O)c1c(C)[nH]c(C)c1C(C)=O ZINC000006751584 170287836 /nfs/dbraw/zinc/28/78/36/170287836.db2.gz CGXTZIHEGVDREP-UHFFFAOYSA-N 0 0 209.245 2.011 10 0 BEAERN CCOC(=O)c1c(Cl)cnc(N)c1Cl ZINC000299889143 170288552 /nfs/dbraw/zinc/28/85/52/170288552.db2.gz FBVHJXWGEBVUEX-UHFFFAOYSA-N 0 0 235.070 2.147 10 0 BEAERN CCOC(=O)c1cc2c[nH]nc2c(C)c1 ZINC000089197234 170291402 /nfs/dbraw/zinc/29/14/02/170291402.db2.gz GGMMKHQKIGWHIR-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)c[nH]1 ZINC000072232729 170291685 /nfs/dbraw/zinc/29/16/85/170291685.db2.gz SCWZCVOYWKIAFI-UHFFFAOYSA-N 0 0 207.151 2.210 10 0 BEAERN CCOC(=O)c1cc(Cc2ccccc2)[nH]n1 ZINC000036421274 170291748 /nfs/dbraw/zinc/29/17/48/170291748.db2.gz GLWQDMOYEZQYAL-UHFFFAOYSA-N 0 0 230.267 2.177 10 0 BEAERN CCOC(=O)c1cc(N)ccc1N[C@@H]1C[C@H]1C ZINC000052300258 170292110 /nfs/dbraw/zinc/29/21/10/170292110.db2.gz ICCIBYAEMZRMBN-PRHODGIISA-N 0 0 234.299 2.266 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(N)c1OC ZINC000062350259 170292539 /nfs/dbraw/zinc/29/25/39/170292539.db2.gz GKIOWFRPHWHKEH-UHFFFAOYSA-N 0 0 229.663 2.108 10 0 BEAERN CCOC(=O)c1cc(SC)ccc1N ZINC000041046235 170293050 /nfs/dbraw/zinc/29/30/50/170293050.db2.gz NBHJJVDYCDQLBO-UHFFFAOYSA-N 0 0 211.286 2.167 10 0 BEAERN CCOC(=O)c1cc2c(C)cc[nH]c-2n1 ZINC000095910902 170293129 /nfs/dbraw/zinc/29/31/29/170293129.db2.gz SNGHBNRZSHKIFY-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1cc2cc(Cl)cnc2n1C ZINC000098177672 170293524 /nfs/dbraw/zinc/29/35/24/170293524.db2.gz LFORVLTUTGDUFJ-UHFFFAOYSA-N 0 0 238.674 2.403 10 0 BEAERN CCOC(=O)c1cc2cc[nH]c2cc1OC ZINC000147691377 170293920 /nfs/dbraw/zinc/29/39/20/170293920.db2.gz LZEBSQKNTRTAIU-UHFFFAOYSA-N 0 0 219.240 2.353 10 0 BEAERN CCOC(=O)c1ccc(-n2ccnc2C)cc1 ZINC000034338915 170294556 /nfs/dbraw/zinc/29/45/56/170294556.db2.gz DGYUNNISKYKIDM-UHFFFAOYSA-N 0 0 230.267 2.357 10 0 BEAERN CCOC(=O)c1ccc(NC2CCOCC2)cc1 ZINC000036304613 170296188 /nfs/dbraw/zinc/29/61/88/170296188.db2.gz VREUIGREOOLGOF-UHFFFAOYSA-N 0 0 249.310 2.454 10 0 BEAERN CCOC(=O)c1ccc(OC)c(OCC)c1 ZINC000044200568 170297086 /nfs/dbraw/zinc/29/70/86/170297086.db2.gz OKUIRPQCDBCDAU-UHFFFAOYSA-N 0 0 224.256 2.271 10 0 BEAERN CCOC(=O)c1cccc2nc(C)oc21 ZINC000118884595 170299386 /nfs/dbraw/zinc/29/93/86/170299386.db2.gz IKDOHVDEPCMAIR-UHFFFAOYSA-N 0 0 205.213 2.313 10 0 BEAERN CCOC(=O)c1cccc2[nH]c(SC)nc21 ZINC000079524732 170299607 /nfs/dbraw/zinc/29/96/07/170299607.db2.gz IEVLSPMLDXKULQ-UHFFFAOYSA-N 0 0 236.296 2.462 10 0 BEAERN CCOC(=O)c1cccnc1N[C@@H]1C[C@@H]1C ZINC000052291858 170299950 /nfs/dbraw/zinc/29/99/50/170299950.db2.gz LVDUCGKPEUZFBD-WCBMZHEXSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1cccnc1N[C@@H](C)C1CC1 ZINC000035733850 170299993 /nfs/dbraw/zinc/29/99/93/170299993.db2.gz DGZKEDANSVYQSZ-VIFPVBQESA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1cnc(CC)nc1C(F)(F)F ZINC000008700226 170301543 /nfs/dbraw/zinc/30/15/43/170301543.db2.gz HPCDPLVEVKJHFD-UHFFFAOYSA-N 0 0 248.204 2.235 10 0 BEAERN CCOC(=O)c1cnc(SC)nc1SC ZINC000001644866 170302595 /nfs/dbraw/zinc/30/25/95/170302595.db2.gz RSEYGTDJDNSHGG-UHFFFAOYSA-N 0 0 244.341 2.097 10 0 BEAERN CCOC(=O)c1cncc(-c2ccnc(C)n2)c1 ZINC000091351836 170302896 /nfs/dbraw/zinc/30/28/96/170302896.db2.gz OLQZUIANGVACPR-UHFFFAOYSA-N 0 0 243.266 2.024 10 0 BEAERN CCOC(=O)c1ncc2[nH]ccc2c1C ZINC000089212962 170308070 /nfs/dbraw/zinc/30/80/70/170308070.db2.gz NMGDGOUQBXRHAD-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1noc2cc(F)ccc21 ZINC000146220195 170309605 /nfs/dbraw/zinc/30/96/05/170309605.db2.gz VHSMCKMRLJUVOL-UHFFFAOYSA-N 0 0 209.176 2.144 10 0 BEAERN CCOC(=O)c1noc([C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000103927717 170310006 /nfs/dbraw/zinc/31/00/06/170310006.db2.gz FFRMNEKLDUEUOH-DJLDLDEBSA-N 0 0 236.271 2.150 10 0 BEAERN CCOCCCNC(=O)N1CCCC(C)(C)C1 ZINC000112739751 170377103 /nfs/dbraw/zinc/37/71/03/170377103.db2.gz WERPLCIQIICUJL-UHFFFAOYSA-N 0 0 242.363 2.245 10 0 BEAERN CCOP(=O)(OCC)[C@](C)(N)C(F)(F)F ZINC000091252800 170470656 /nfs/dbraw/zinc/47/06/56/170470656.db2.gz IALXMTQFOKSSCM-LURJTMIESA-N 0 0 249.169 2.490 10 0 BEAERN CCCc1nccnc1NC[C@](C)(O)C(C)C ZINC000663590215 411706722 /nfs/dbraw/zinc/70/67/22/411706722.db2.gz MQLSNFVGOVOZIW-ZDUSSCGKSA-N 0 0 237.347 2.248 10 0 BEAERN CCO[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000171045603 170496673 /nfs/dbraw/zinc/49/66/73/170496673.db2.gz ARNQIXGYBUYCNR-UHTWSYAYSA-N 0 0 233.311 2.289 10 0 BEAERN CCCc1nccnc1NCCC[C@@H](O)CC ZINC000663660238 411716052 /nfs/dbraw/zinc/71/60/52/411716052.db2.gz JKPSOPIJBRINKX-NSHDSACASA-N 0 0 237.347 2.392 10 0 BEAERN CCCc1nccnc1NCCC[C@H](O)CC ZINC000663660237 411716366 /nfs/dbraw/zinc/71/63/66/411716366.db2.gz JKPSOPIJBRINKX-LLVKDONJSA-N 0 0 237.347 2.392 10 0 BEAERN CCOc1c(C=O)c2ccccc2n1C ZINC000038523937 170513569 /nfs/dbraw/zinc/51/35/69/170513569.db2.gz WEGACPDBLMMJQS-UHFFFAOYSA-N 0 0 203.241 2.390 10 0 BEAERN CCOc1cc(CCC(C)=O)ccc1O ZINC000039099559 170521486 /nfs/dbraw/zinc/52/14/86/170521486.db2.gz MXLOKFOWFPJWCW-UHFFFAOYSA-N 0 0 208.257 2.313 10 0 BEAERN CCCc1nccnc1NC[C@H]1CCC[C@H]1O ZINC000663668543 411717323 /nfs/dbraw/zinc/71/73/23/411717323.db2.gz DAKJIWBJDRTTAK-ZYHUDNBSSA-N 0 0 235.331 2.002 10 0 BEAERN CCOc1ccc(-c2[nH]nc(N)c2C)cc1 ZINC000036936133 170532070 /nfs/dbraw/zinc/53/20/70/170532070.db2.gz XHYVMBTTZPLWEU-UHFFFAOYSA-N 0 0 217.272 2.366 10 0 BEAERN CCOc1ccc(-c2nn(C)cc2C=O)cc1 ZINC000031885628 170533350 /nfs/dbraw/zinc/53/33/50/170533350.db2.gz VIFYEKJGGXTQNX-UHFFFAOYSA-N 0 0 230.267 2.298 10 0 BEAERN CCOc1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000059440968 170567118 /nfs/dbraw/zinc/56/71/18/170567118.db2.gz NAPYYPJAHDNAJB-UHFFFAOYSA-N 0 0 205.257 2.315 10 0 BEAERN CCOc1ccccc1N[C@@H]1CCC[C@@H]1O ZINC000037689670 170595807 /nfs/dbraw/zinc/59/58/07/170595807.db2.gz QRKGCKMBSAWEFY-PWSUYJOCSA-N 0 0 221.300 2.411 10 0 BEAERN CCCc1nccnc1NCc1nnc(C)s1 ZINC000663783845 411746984 /nfs/dbraw/zinc/74/69/84/411746984.db2.gz MSHSJXNPOUPGHF-UHFFFAOYSA-N 0 0 249.343 2.201 10 0 BEAERN CCOc1ncccc1N[C@@H](C)CCOC ZINC000045022156 170604929 /nfs/dbraw/zinc/60/49/29/170604929.db2.gz SLVAEWMJIKWPAB-JTQLQIEISA-N 0 0 224.304 2.317 10 0 BEAERN CCP1(=O)N(C)[C@@H]2CCCC[C@H]2N1C ZINC000006009869 170606843 /nfs/dbraw/zinc/60/68/43/170606843.db2.gz MFUIQZXBLJYEND-NXEZZACHSA-N 0 0 216.265 2.388 10 0 BEAERN CCCc1nccnc1N[C@@H]1C[C@H](O)C1(C)C ZINC000663820352 411754015 /nfs/dbraw/zinc/75/40/15/411754015.db2.gz CHPBGBGTMLCSJY-MNOVXSKESA-N 0 0 235.331 2.000 10 0 BEAERN CCCc1nccnc1NCCC(C)(C)O ZINC000663818307 411754322 /nfs/dbraw/zinc/75/43/22/411754322.db2.gz NKGCFUGSRABKGH-UHFFFAOYSA-N 0 0 223.320 2.002 10 0 BEAERN CCCc1nccnc1NCCC[C@H](C)O ZINC000663851793 411760708 /nfs/dbraw/zinc/76/07/08/411760708.db2.gz GCDWNFHFYIJVQA-JTQLQIEISA-N 0 0 223.320 2.002 10 0 BEAERN CCSCC(=O)Nc1ccc(N)cc1C ZINC000019869952 170625720 /nfs/dbraw/zinc/62/57/20/170625720.db2.gz YFHRDEBIASJQQD-UHFFFAOYSA-N 0 0 224.329 2.269 10 0 BEAERN CCSCC(=O)Nc1ccc(C)c(N)c1 ZINC000037285802 170625898 /nfs/dbraw/zinc/62/58/98/170625898.db2.gz COPNGVDRXBSZJX-UHFFFAOYSA-N 0 0 224.329 2.269 10 0 BEAERN CCCc1nccnc1NC[C@@H](OC)C1CC1 ZINC000663941522 411782534 /nfs/dbraw/zinc/78/25/34/411782534.db2.gz AIBSTJVGWVKKCU-GFCCVEGCSA-N 0 0 235.331 2.266 10 0 BEAERN CCCc1nccnc1NCC[C@@H](C)CCO ZINC000663953463 411788985 /nfs/dbraw/zinc/78/89/85/411788985.db2.gz ZJASNCHHIFTGNA-LLVKDONJSA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1NCCC(C)(C)CO ZINC000663952532 411789058 /nfs/dbraw/zinc/78/90/58/411789058.db2.gz LPVYMDWKKCLGCO-UHFFFAOYSA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1NC[C@@H](O)C1CCC1 ZINC000663986277 411802564 /nfs/dbraw/zinc/80/25/64/411802564.db2.gz CRCNCAPGCHEGON-GFCCVEGCSA-N 0 0 235.331 2.002 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCCC[C@H](CO)C1 ZINC000365078386 170686039 /nfs/dbraw/zinc/68/60/39/170686039.db2.gz UNVRNEYLBCDJOM-NEPJUHHUSA-N 0 0 227.348 2.044 10 0 BEAERN CCCc1nccnc1NC[C@H]1CC[C@@H](C)O1 ZINC000663995766 411806522 /nfs/dbraw/zinc/80/65/22/411806522.db2.gz MVJMJRNLTQYQGF-GHMZBOCLSA-N 0 0 235.331 2.409 10 0 BEAERN CC[C@@H](C)CNC(=O)c1ccc(N)c(C)c1 ZINC000054466083 170706553 /nfs/dbraw/zinc/70/65/53/170706553.db2.gz SDAFTVMPNNBQSQ-SECBINFHSA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@@H](C)CNC1N=NC(=S)S1 ZINC000054475000 170710576 /nfs/dbraw/zinc/71/05/76/170710576.db2.gz OSFFIZIPCCXANE-RXMQYKEDSA-N 0 0 203.336 2.285 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1ccc(N)nc1 ZINC000616622606 411854952 /nfs/dbraw/zinc/85/49/52/411854952.db2.gz FIGHWIWHLUEEKJ-LBPRGKRZSA-N 0 0 233.315 2.127 10 0 BEAERN CCN1C[C@@H](c2cc(N)n[nH]2)Cc2ccccc21 ZINC000616673890 411856444 /nfs/dbraw/zinc/85/64/44/411856444.db2.gz TUKLFEZGCRADAC-NSHDSACASA-N 0 0 242.326 2.158 10 0 BEAERN CC[C@@H](C)OC(=O)/C=C/C(=O)O[C@H](C)CC ZINC000004976135 170761070 /nfs/dbraw/zinc/76/10/70/170761070.db2.gz MWJNGKOBSUBRNM-WENXHQBNSA-N 0 0 228.288 2.226 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)c1ncccc1N ZINC000132342848 411897898 /nfs/dbraw/zinc/89/78/98/411897898.db2.gz WXBUCKJZEDWYTH-JTQLQIEISA-N 0 0 235.331 2.218 10 0 BEAERN CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000219779374 411903122 /nfs/dbraw/zinc/90/31/22/411903122.db2.gz BDQNKDFXRMPBCB-AWEZNQCLSA-N 0 0 247.338 2.290 10 0 BEAERN CC(C)c1nccnc1N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000664347553 411927963 /nfs/dbraw/zinc/92/79/63/411927963.db2.gz GXQBQYKKRQUJGE-PJXYFTJBSA-N 0 0 249.358 2.053 10 0 BEAERN CC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000145564646 170855162 /nfs/dbraw/zinc/85/51/62/170855162.db2.gz CKCNYQURFFYZRU-JTQLQIEISA-N 0 0 208.257 2.134 10 0 BEAERN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)COC ZINC000103393990 170855794 /nfs/dbraw/zinc/85/57/94/170855794.db2.gz WKZAVCXCRKTLPF-JSGCOSHPSA-N 0 0 249.354 2.406 10 0 BEAERN OCC1CC(Nc2nc3ccccc3o2)C1 ZINC000664645608 412005089 /nfs/dbraw/zinc/00/50/89/412005089.db2.gz QMYIRHVUZNXGDS-UHFFFAOYSA-N 0 0 218.256 2.011 10 0 BEAERN OCC1CC(Nc2ccnc(C(F)(F)F)c2)C1 ZINC000664648515 412006774 /nfs/dbraw/zinc/00/67/74/412006774.db2.gz HXBCCHNJYYWYDY-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CC[C@@H](O)Cc1nc(Cc2ccccc2C)no1 ZINC000104065717 170937731 /nfs/dbraw/zinc/93/77/31/170937731.db2.gz KURKLOVGJUMYRE-GFCCVEGCSA-N 0 0 246.310 2.282 10 0 BEAERN CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000103516607 170972777 /nfs/dbraw/zinc/97/27/77/170972777.db2.gz XZXVTAPOWWVKKC-HBNTYKKESA-N 0 0 210.321 2.226 10 0 BEAERN CC[C@@H]1CCN(C(=O)c2cccc(OC)c2O)C1 ZINC000131536913 171009841 /nfs/dbraw/zinc/00/98/41/171009841.db2.gz QJNRLYWLDNDBJR-SNVBAGLBSA-N 0 0 249.310 2.273 10 0 BEAERN CC[C@@H]1CC[C@@H]([C@@H](CC(C)=O)C(C)=O)O1 ZINC000039101615 171042111 /nfs/dbraw/zinc/04/21/11/171042111.db2.gz ZIPBJCOUQNAYOV-WOPDTQHZSA-N 0 0 212.289 2.128 10 0 BEAERN CC[C@@H]1CCc2c(sc(N)c2C(=O)NC)C1 ZINC000104946970 171060021 /nfs/dbraw/zinc/06/00/21/171060021.db2.gz HIBZBRKHPGBFBM-SSDOTTSWSA-N 0 0 238.356 2.205 10 0 BEAERN CC[C@@H]1CSC(NCc2ccccn2)=[NH+]1 ZINC000035295043 171114061 /nfs/dbraw/zinc/11/40/61/171114061.db2.gz MTYVYCNHRLLQFG-SECBINFHSA-N 0 0 221.329 2.053 10 0 BEAERN CC[C@@H]1NC(=N)c2sccc2O[C@H]1C ZINC000039101422 171143248 /nfs/dbraw/zinc/14/32/48/171143248.db2.gz ZLRUVIWRLAACGF-BQBZGAKWSA-N 0 0 210.302 2.013 10 0 BEAERN CC[C@@H]1NC(=O)N([C@@H]2CCC23CCCC3)C1=O ZINC000336465352 171145291 /nfs/dbraw/zinc/14/52/91/171145291.db2.gz UDYHIPWFORHQRJ-VHSXEESVSA-N 0 0 236.315 2.040 10 0 BEAERN CC[C@@H]1O[C@H](CC(C)C)O[C@@H](O)[C@@H]1C ZINC000238292222 171153172 /nfs/dbraw/zinc/15/31/72/171153172.db2.gz XMPSTNFUOLDAMI-VPOLOUISSA-N 0 0 202.294 2.139 10 0 BEAERN CC[C@@H]1O[C@H](CC(C)C)O[C@H](O)[C@H]1C ZINC000256011315 171153243 /nfs/dbraw/zinc/15/32/43/171153243.db2.gz XMPSTNFUOLDAMI-NAKRPEOUSA-N 0 0 202.294 2.139 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2occc2C)n1 ZINC000041052907 171172695 /nfs/dbraw/zinc/17/26/95/171172695.db2.gz DLBWJHMQSZKKPH-LLVKDONJSA-N 0 0 221.260 2.222 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2cccs2)n1 ZINC000041052947 171172698 /nfs/dbraw/zinc/17/26/98/171172698.db2.gz WLVCAWSYNRENDO-SNVBAGLBSA-N 0 0 223.301 2.382 10 0 BEAERN CC[C@@](C)([NH2+]Cc1ccc(OC)cc1)C(=O)[O-] ZINC000041753576 171176605 /nfs/dbraw/zinc/17/66/05/171176605.db2.gz VWJOGKHTALFQQY-CYBMUJFWSA-N 0 0 237.299 2.038 10 0 BEAERN CC[C@@](C)(O)CN1CCc2ccccc21 ZINC000119401154 171179593 /nfs/dbraw/zinc/17/95/93/171179593.db2.gz MXXJSGAGZCFUKX-CYBMUJFWSA-N 0 0 205.301 2.210 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](CC)Cc1ccccc1 ZINC000037374426 171236156 /nfs/dbraw/zinc/23/61/56/171236156.db2.gz IXOOETMRTKJMMR-GFCCVEGCSA-N 0 0 221.300 2.372 10 0 BEAERN CC[C@H](C(=O)OC)c1ccccc1OC ZINC000041217223 171241384 /nfs/dbraw/zinc/24/13/84/171241384.db2.gz XCRIAQFZCVHTMK-VIFPVBQESA-N 0 0 208.257 2.362 10 0 BEAERN CC[C@H](C)C(=O)N(C)Cc1ccccc1N ZINC000035360679 171246479 /nfs/dbraw/zinc/24/64/79/171246479.db2.gz SMORQCGVIFOZIL-JTQLQIEISA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000036944099 171256810 /nfs/dbraw/zinc/25/68/10/171256810.db2.gz PMIJLCIQYPIBNI-QMMMGPOBSA-N 0 0 233.267 2.246 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(C)c(N)c1 ZINC000054466068 171283928 /nfs/dbraw/zinc/28/39/28/171283928.db2.gz DWSQOHUXKOEKQM-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(N)ccc1C ZINC000054466327 171284098 /nfs/dbraw/zinc/28/40/98/171284098.db2.gz DPPADXZKEFFZNV-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)COC(=O)c1ccc(OC)c(N)c1 ZINC000050427783 171288687 /nfs/dbraw/zinc/28/86/87/171288687.db2.gz VYOCKWMEBBXJRU-VIFPVBQESA-N 0 0 237.299 2.480 10 0 BEAERN CC[C@H](C)Cn1nnnc1-c1ccc(N)c(F)c1 ZINC000054490732 171300995 /nfs/dbraw/zinc/30/09/95/171300995.db2.gz XVEPFKPANAEUCU-QMMMGPOBSA-N 0 0 249.293 2.108 10 0 BEAERN CC[C@H](C)Cn1ncc(Br)c1N ZINC000043666456 171301005 /nfs/dbraw/zinc/30/10/05/171301005.db2.gz QMIZBVOLRWJYGS-LURJTMIESA-N 0 0 232.125 2.274 10 0 BEAERN CC[C@H](C)NC(=O)C(C)(C)c1ccc(N)cc1 ZINC000098169505 171321377 /nfs/dbraw/zinc/32/13/77/171321377.db2.gz PRCJOESOAFCAST-JTQLQIEISA-N 0 0 234.343 2.461 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000038066421 171345266 /nfs/dbraw/zinc/34/52/66/171345266.db2.gz VEGZRLHGTNATGJ-JOYOIKCWSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccccc1OC ZINC000038066125 171345463 /nfs/dbraw/zinc/34/54/63/171345463.db2.gz WCOYILKVRBDWQS-JOYOIKCWSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000038066545 171347439 /nfs/dbraw/zinc/34/74/39/171347439.db2.gz AKMJGRMDZUQDFV-ZANVPECISA-N 0 0 249.310 2.135 10 0 BEAERN CC[C@H](C)Nc1cc(C(N)=O)c(F)cc1F ZINC000036920710 171349448 /nfs/dbraw/zinc/34/94/48/171349448.db2.gz LBGFDTOGYQWUQS-LURJTMIESA-N 0 0 228.242 2.274 10 0 BEAERN CC[C@H](C)OCC(=O)N1CCCC1(C)C ZINC000124247430 171352414 /nfs/dbraw/zinc/35/24/14/171352414.db2.gz ZMAFRCZSMQYEBQ-JTQLQIEISA-N 0 0 213.321 2.203 10 0 BEAERN CC[C@H](C)[C@@H](C)Nc1c(N)c(C)nn1C ZINC000042552631 171367991 /nfs/dbraw/zinc/36/79/91/171367991.db2.gz JJFFPFDNCNEKPP-JGVFFNPUSA-N 0 0 210.325 2.157 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(C)cc1 ZINC000163550998 171370142 /nfs/dbraw/zinc/37/01/42/171370142.db2.gz MXSHBXZMCKTGRX-WCQYABFASA-N 0 0 234.343 2.331 10 0 BEAERN CC[C@H](C)c1ccc(C(=O)C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000057956719 171409968 /nfs/dbraw/zinc/40/99/68/171409968.db2.gz AGPBUNNEUIISLL-CABZTGNLSA-N 0 0 249.310 2.185 10 0 BEAERN CC[C@H](NC(=O)NC(C)C)c1nccs1 ZINC000125281547 171501414 /nfs/dbraw/zinc/50/14/14/171501414.db2.gz UZYQPEKWZQCPHO-QMMMGPOBSA-N 0 0 227.333 2.302 10 0 BEAERN CC[C@H](NC(=O)NC1CCC1)c1nccs1 ZINC000125290734 171502010 /nfs/dbraw/zinc/50/20/10/171502010.db2.gz INCLNLRWFPSNQH-VIFPVBQESA-N 0 0 239.344 2.446 10 0 BEAERN CC[C@H](NC(=O)c1sccc1N)C(C)C ZINC000042584555 171513033 /nfs/dbraw/zinc/51/30/33/171513033.db2.gz LWEDDPOXDPOFFH-VIFPVBQESA-N 0 0 226.345 2.495 10 0 BEAERN CC[C@H](Nc1cccc(Cl)c1F)C(N)=O ZINC000061676554 171551256 /nfs/dbraw/zinc/55/12/56/171551256.db2.gz VWZRQZLFZZQJIR-ZETCQYMHSA-N 0 0 230.670 2.155 10 0 BEAERN CN1CC[C@@H](Nc2cc[nH]n2)c2ccccc21 ZINC000616673301 412255796 /nfs/dbraw/zinc/25/57/96/412255796.db2.gz WZKWJUWRPMKZTQ-LLVKDONJSA-N 0 0 228.299 2.403 10 0 BEAERN CC[C@H](OC1CCCC1)C(=O)N[C@@H]1C[C@@H]1C ZINC000112896604 171589851 /nfs/dbraw/zinc/58/98/51/171589851.db2.gz WQJVKBIGEBPYHH-WCQGTBRESA-N 0 0 225.332 2.249 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)c1cnn(C)c1 ZINC000125415013 171604929 /nfs/dbraw/zinc/60/49/29/171604929.db2.gz WLBNOWSXRLAUMW-LBPRGKRZSA-N 0 0 235.331 2.215 10 0 BEAERN CC[C@H]1CCCN(C(=O)[C@@H](C)COC)CC1 ZINC000117160329 171614127 /nfs/dbraw/zinc/61/41/27/171614127.db2.gz ROPXBXTUZSINRB-RYUDHWBXSA-N 0 0 227.348 2.308 10 0 BEAERN CC[C@H]1CCCN1C(=O)c1cc(N)ccc1F ZINC000037912720 171618964 /nfs/dbraw/zinc/61/89/64/171618964.db2.gz CXBDIUJIAWUBEW-JTQLQIEISA-N 0 0 236.290 2.423 10 0 BEAERN CC[C@@H]1CC[C@H](C)N1C(=O)c1ncccc1N ZINC000132857737 412327782 /nfs/dbraw/zinc/32/77/82/412327782.db2.gz ZDLHJSUFKNMBDZ-VHSXEESVSA-N 0 0 233.315 2.067 10 0 BEAERN CC[C@]1(C)OC(=O)c2c1cccc2OC ZINC000039101140 171723441 /nfs/dbraw/zinc/72/34/41/171723441.db2.gz KPMXLBZUGSZMKL-LBPRGKRZSA-N 0 0 206.241 2.491 10 0 BEAERN CCc1c(C)nc(Cc2cccs2)[nH]c1=O ZINC000052899998 171740428 /nfs/dbraw/zinc/74/04/28/171740428.db2.gz RKFKTNSYOYAFHS-UHFFFAOYSA-N 0 0 234.324 2.293 10 0 BEAERN CCc1c(C)c(Br)[nH]c1C=O ZINC000037624172 171742646 /nfs/dbraw/zinc/74/26/46/171742646.db2.gz SMEBTXRDRXAGDV-UHFFFAOYSA-N 0 0 216.078 2.461 10 0 BEAERN CCc1cc(C(=O)OC)c(Cl)nc1C ZINC000034501145 171755632 /nfs/dbraw/zinc/75/56/32/171755632.db2.gz SIJWXMHTRJDOIQ-UHFFFAOYSA-N 0 0 213.664 2.392 10 0 BEAERN CCc1cc2c(cc3c(=O)[nH]nc(CC)n23)s1 ZINC000004955303 171776448 /nfs/dbraw/zinc/77/64/48/171776448.db2.gz KESJJSZPSGVJFG-UHFFFAOYSA-N 0 0 247.323 2.362 10 0 BEAERN CCc1cc2cc(CO)ccc2nc1OC ZINC000090415468 171776500 /nfs/dbraw/zinc/77/65/00/171776500.db2.gz COMPEZHZUAZNKW-UHFFFAOYSA-N 0 0 217.268 2.298 10 0 BEAERN CCc1ccc([C@@H]2CC(=O)Nc3n[nH]cc32)o1 ZINC000065462930 171835759 /nfs/dbraw/zinc/83/57/59/171835759.db2.gz AKBZTOWZGITEGW-MRVPVSSYSA-N 0 0 231.255 2.039 10 0 BEAERN CCc1cccc(CC(=O)Nc2ccnn2C)c1 ZINC000121012551 171855169 /nfs/dbraw/zinc/85/51/69/171855169.db2.gz AFMABDADKIROEF-UHFFFAOYSA-N 0 0 243.310 2.164 10 0 BEAERN CCc1ccsc1C(=O)N[C@H]1C[C@@H]1C ZINC000075508346 171907485 /nfs/dbraw/zinc/90/74/85/171907485.db2.gz ZGAYGBILXQHHCR-CBAPKCEASA-N 0 0 209.314 2.449 10 0 BEAERN CCc1cnc(NC(=O)N[C@H]2C[C@H]2C)s1 ZINC000174199597 171919475 /nfs/dbraw/zinc/91/94/75/171919475.db2.gz IMHCHMCDEFQIFF-SVRRBLITSA-N 0 0 225.317 2.235 10 0 BEAERN CCc1nc(-c2cccc(OC)c2)ncc1N ZINC000082326447 171938764 /nfs/dbraw/zinc/93/87/64/171938764.db2.gz UBQLMHAPJKWATP-UHFFFAOYSA-N 0 0 229.283 2.297 10 0 BEAERN CCc1nc(-c2cnccn2)nc(Cl)c1C ZINC000045955995 171940600 /nfs/dbraw/zinc/94/06/00/171940600.db2.gz LCEJRXUYBDOFID-UHFFFAOYSA-N 0 0 234.690 2.458 10 0 BEAERN CCc1nc(N)n(-c2cc(C)ccc2C)n1 ZINC000054404598 171995784 /nfs/dbraw/zinc/99/57/84/171995784.db2.gz JYDBFPNHAXTIGE-UHFFFAOYSA-N 0 0 216.288 2.029 10 0 BEAERN CCc1nc([C@H](N)c2cc(C)cc(C)c2)no1 ZINC000049808749 172007864 /nfs/dbraw/zinc/00/78/64/172007864.db2.gz MVGHAHVFUSCFEH-GFCCVEGCSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1ncc(-c2ccc(F)cc2)c(N)n1 ZINC000061675302 172015230 /nfs/dbraw/zinc/01/52/30/172015230.db2.gz CFMBRKDXUIIMGN-UHFFFAOYSA-N 0 0 217.247 2.427 10 0 BEAERN CCc1ncc2n1CCN(Cc1ccccc1)C2 ZINC000089195613 172024273 /nfs/dbraw/zinc/02/42/73/172024273.db2.gz OLQQSJOHLGBKFA-UHFFFAOYSA-N 0 0 241.338 2.461 10 0 BEAERN CCc1nccn1[C@@H](C)C(=O)NC(CC)CC ZINC000104286083 172029009 /nfs/dbraw/zinc/02/90/09/172029009.db2.gz PNELIUVZSOJGCG-JTQLQIEISA-N 0 0 237.347 2.311 10 0 BEAERN CCc1ncn2nc(-c3ccccc3)cc2n1 ZINC000026504571 172029885 /nfs/dbraw/zinc/02/98/85/172029885.db2.gz LSFLROHHYQOPFL-UHFFFAOYSA-N 0 0 224.267 2.354 10 0 BEAERN CCc1nnc(-c2c(C)cccc2N)o1 ZINC000036335841 172045053 /nfs/dbraw/zinc/04/50/53/172045053.db2.gz CPSKSTRHMVRSRJ-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nnc(-c2ccc(N)cc2F)o1 ZINC000043575214 172045802 /nfs/dbraw/zinc/04/58/02/172045802.db2.gz WOKWFFBLYHCKDR-UHFFFAOYSA-N 0 0 207.208 2.020 10 0 BEAERN CCc1nnc(NC(C)(C)C)nc1CC ZINC000302715137 172059356 /nfs/dbraw/zinc/05/93/56/172059356.db2.gz FOWGLMHNMNNXOF-UHFFFAOYSA-N 0 0 208.309 2.207 10 0 BEAERN CCc1nnc(N[C@@H]2C[C@@H]2CC)nc1CC ZINC000234139880 172060135 /nfs/dbraw/zinc/06/01/35/172060135.db2.gz HAQJQUDSEWMTHC-GZMMTYOYSA-N 0 0 220.320 2.207 10 0 BEAERN CCc1n[nH]c(=S)c2cc3occc3n21 ZINC000021522679 172062322 /nfs/dbraw/zinc/06/23/22/172062322.db2.gz PXLXPUNYWOENLO-UHFFFAOYSA-N 0 0 219.269 2.327 10 0 BEAERN CCc1nnsc1C(=O)N[C@@H](C)CC1CC1 ZINC000112603441 172071642 /nfs/dbraw/zinc/07/16/42/172071642.db2.gz XTWGNGQRQRNAGG-ZETCQYMHSA-N 0 0 239.344 2.019 10 0 BEAERN CCc1noc(-c2cc(F)ccc2N)n1 ZINC000021812488 172071673 /nfs/dbraw/zinc/07/16/73/172071673.db2.gz NFWSAJHCZYNNHH-UHFFFAOYSA-N 0 0 207.208 2.020 10 0 BEAERN CCc1noc(-c2n[nH]c3ccccc32)n1 ZINC000045894924 172072027 /nfs/dbraw/zinc/07/20/27/172072027.db2.gz YJJNBDDLMUESGN-UHFFFAOYSA-N 0 0 214.228 2.175 10 0 BEAERN CCc1noc(C)c1NC(=O)Nc1ccon1 ZINC000121042371 172082488 /nfs/dbraw/zinc/08/24/88/172082488.db2.gz YRTVVIYBEYSFHK-UHFFFAOYSA-N 0 0 236.231 2.177 10 0 BEAERN CCc1noc([C@H](N)C2CCCCC2)n1 ZINC000038036990 172092155 /nfs/dbraw/zinc/09/21/55/172092155.db2.gz DPPSOSMVGVPDOY-SNVBAGLBSA-N 0 0 209.293 2.212 10 0 BEAERN CCc1nsc(N[C@H]2CCC[C@@H](OC)C2)n1 ZINC000301798573 172107557 /nfs/dbraw/zinc/10/75/57/172107557.db2.gz VGABQVWAHMXRIZ-DTWKUNHWSA-N 0 0 241.360 2.470 10 0 BEAERN CCc1onc(C)c1C(=O)NCCCSC ZINC000124198004 172124891 /nfs/dbraw/zinc/12/48/91/172124891.db2.gz PUGHGUQDRRYZSM-UHFFFAOYSA-N 0 0 242.344 2.028 10 0 BEAERN CCc1onc(-c2ccccc2)c1CO ZINC000095626894 172125015 /nfs/dbraw/zinc/12/50/15/172125015.db2.gz IHSQGQZCACKRFK-UHFFFAOYSA-N 0 0 203.241 2.396 10 0 BEAERN CCc1sc(-c2nnc(CO)o2)cc1C ZINC000021951916 172127858 /nfs/dbraw/zinc/12/78/58/172127858.db2.gz FMONZGPHFASXPL-UHFFFAOYSA-N 0 0 224.285 2.161 10 0 BEAERN CCn1[nH]c(=O)c2ccc(Br)cc21 ZINC000089197650 172129599 /nfs/dbraw/zinc/12/95/99/172129599.db2.gz VJKDTXIDMYJIEQ-UHFFFAOYSA-N 0 0 241.088 2.112 10 0 BEAERN CCn1c2ccc(C)cc2cc(N(C)C)c1=O ZINC000039102929 172132222 /nfs/dbraw/zinc/13/22/22/172132222.db2.gz YGXLOIWBZURRDG-UHFFFAOYSA-N 0 0 230.311 2.396 10 0 BEAERN CCn1c2ccccc2cc([C@H](C)O)c1=O ZINC000040165796 172132267 /nfs/dbraw/zinc/13/22/67/172132267.db2.gz MSBMLWRUNYAVMQ-VIFPVBQESA-N 0 0 217.268 2.075 10 0 BEAERN CCn1c(=O)oc2cc([C@@H](O)C(C)C)ccc21 ZINC000051363526 172132924 /nfs/dbraw/zinc/13/29/24/172132924.db2.gz FZYAKPILWCONBF-LBPRGKRZSA-N 0 0 235.283 2.304 10 0 BEAERN CCn1c2ccc([C@H](O)CC3CC3)cc2oc1=O ZINC000051363553 172133835 /nfs/dbraw/zinc/13/38/35/172133835.db2.gz QQEXIOKSTZZKCD-GFCCVEGCSA-N 0 0 247.294 2.448 10 0 BEAERN CCn1c(C(C)C)c(N)c(=O)n1C(C)(C)C ZINC000040933163 172135065 /nfs/dbraw/zinc/13/50/65/172135065.db2.gz XOBNKDIQZQBGBX-UHFFFAOYSA-N 0 0 225.336 2.130 10 0 BEAERN CCn1c(C)nnc1-c1sc(N)cc1C ZINC000104481058 172139816 /nfs/dbraw/zinc/13/98/16/172139816.db2.gz GTVSGQMUONDBQA-UHFFFAOYSA-N 0 0 222.317 2.226 10 0 BEAERN CCn1c(C)nnc1CSCc1ccon1 ZINC000091030187 172140471 /nfs/dbraw/zinc/14/04/71/172140471.db2.gz IIBPXUVASAATEF-UHFFFAOYSA-N 0 0 238.316 2.028 10 0 BEAERN CCn1c(C)nnc1COc1ccccc1 ZINC000180307938 172140579 /nfs/dbraw/zinc/14/05/79/172140579.db2.gz BXSYYQVILJMJMG-UHFFFAOYSA-N 0 0 217.272 2.185 10 0 BEAERN CCn1c(N)nnc1SCCc1ccccc1 ZINC000008014922 172146472 /nfs/dbraw/zinc/14/64/72/172146472.db2.gz WTLFQHWWALNFLG-UHFFFAOYSA-N 0 0 248.355 2.215 10 0 BEAERN CCn1cc(COc2cccc(N)c2C)cn1 ZINC000050530891 172177470 /nfs/dbraw/zinc/17/74/70/172177470.db2.gz QITSWMADYZJGEC-UHFFFAOYSA-N 0 0 231.299 2.373 10 0 BEAERN CCn1cc(NC(=O)N[C@H](C)CC2CC2)cn1 ZINC000112713231 172181425 /nfs/dbraw/zinc/18/14/25/172181425.db2.gz RAFRTUDYEHIGBP-SECBINFHSA-N 0 0 236.319 2.213 10 0 BEAERN CCn1cc(N[C@@H](C)c2ccncc2)ccc1=O ZINC000037773777 172187164 /nfs/dbraw/zinc/18/71/64/172187164.db2.gz AEXXDVLTAIXJDW-NSHDSACASA-N 0 0 243.310 2.436 10 0 BEAERN CCn1cccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000085608578 172209809 /nfs/dbraw/zinc/20/98/09/172209809.db2.gz SNQABDQTSKTGMB-YPMHNXCESA-N 0 0 222.332 2.165 10 0 BEAERN CCn1ccnc(N[C@H]2CCC[C@H](C)[C@@H]2C)c1=O ZINC000061762237 172214097 /nfs/dbraw/zinc/21/40/97/172214097.db2.gz MOMVPDNPORUELD-SRVKXCTJSA-N 0 0 249.358 2.500 10 0 BEAERN CCn1ccnc1CNc1cccc2n[nH]cc21 ZINC000051923836 172226119 /nfs/dbraw/zinc/22/61/19/172226119.db2.gz FCHBQJHXMQRGKD-UHFFFAOYSA-N 0 0 241.298 2.391 10 0 BEAERN CCn1ccnc1[C@@H](NC)c1ccsc1 ZINC000041048702 172228873 /nfs/dbraw/zinc/22/88/73/172228873.db2.gz MQZZLXRQCDHMOJ-JTQLQIEISA-N 0 0 221.329 2.273 10 0 BEAERN CCn1ccnc1[C@@H](N)c1cccs1 ZINC000011735211 172229948 /nfs/dbraw/zinc/22/99/48/172229948.db2.gz GUSIQWJPTHTQOF-VIFPVBQESA-N 0 0 207.302 2.013 10 0 BEAERN CCn1cnc(-c2ccccc2C)c1N ZINC000104900902 172230539 /nfs/dbraw/zinc/23/05/39/172230539.db2.gz YZAFJHCLQFSKBB-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1cnnc1CNc1ccc(C)cc1 ZINC000054497806 172237174 /nfs/dbraw/zinc/23/71/74/172237174.db2.gz GYYHVQYGTHYQDI-UHFFFAOYSA-N 0 0 216.288 2.219 10 0 BEAERN CCn1nc(C)c(C(=O)N[C@H]2C[C@@H]2C)c1Cl ZINC000173477872 172243280 /nfs/dbraw/zinc/24/32/80/172243280.db2.gz VRIWGWPFRHGSOK-XPUUQOCRSA-N 0 0 241.722 2.003 10 0 BEAERN CCn1ncc(Cl)c1-c1csc(N)n1 ZINC000015936743 172255443 /nfs/dbraw/zinc/25/54/43/172255443.db2.gz UHWHWGCHRHPIRB-UHFFFAOYSA-N 0 0 228.708 2.262 10 0 BEAERN CCn1nccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000120328001 172267123 /nfs/dbraw/zinc/26/71/23/172267123.db2.gz NIGLPWNAPSCJRQ-UONOGXRCSA-N 0 0 249.358 2.046 10 0 BEAERN CCn1nccc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330258123 172275139 /nfs/dbraw/zinc/27/51/39/172275139.db2.gz RBOCWJGJYWZERC-WDEREUQCSA-N 0 0 248.330 2.309 10 0 BEAERN CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCOC1 ZINC000106841689 172338093 /nfs/dbraw/zinc/33/80/93/172338093.db2.gz CPZLWXDOKDQRPY-NSHDSACASA-N 0 0 244.294 2.029 10 0 BEAERN CN(C(=O)c1cc(F)ccc1N)C1CCCC1 ZINC000037092800 172338209 /nfs/dbraw/zinc/33/82/09/172338209.db2.gz YYSSYYQBGPKUMO-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCOC1 ZINC000107598362 172341603 /nfs/dbraw/zinc/34/16/03/172341603.db2.gz QZZIQHACLDKROS-GFCCVEGCSA-N 0 0 244.294 2.029 10 0 BEAERN CN(C(=O)c1cccc(F)c1N)C1CCCC1 ZINC000054207238 172341805 /nfs/dbraw/zinc/34/18/05/172341805.db2.gz XJINGTUTBAAMGT-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000010328810 172342455 /nfs/dbraw/zinc/34/24/55/172342455.db2.gz JQOZSLMREYIJDE-OLZOCXBDSA-N 0 0 233.311 2.062 10 0 BEAERN CN(C)C(=O)CCNc1nccc2sccc21 ZINC000037752183 172361149 /nfs/dbraw/zinc/36/11/49/172361149.db2.gz ZBMJIOABDHIBGN-UHFFFAOYSA-N 0 0 249.339 2.187 10 0 BEAERN CN(C)C(=O)CCNc1ccc2c(c1)CCC2 ZINC000037897833 172361285 /nfs/dbraw/zinc/36/12/85/172361285.db2.gz FLIJFLXUEDQIAC-UHFFFAOYSA-N 0 0 232.327 2.066 10 0 BEAERN CN(C)C(=O)CC[C@@H]1CCNc2ccccc21 ZINC000068575964 172361356 /nfs/dbraw/zinc/36/13/56/172361356.db2.gz OSDXCIHLRWIEGJ-LLVKDONJSA-N 0 0 232.327 2.454 10 0 BEAERN CN(C)C(=O)c1cc2ccccc2cc1N ZINC000040628512 172388454 /nfs/dbraw/zinc/38/84/54/172388454.db2.gz HTHDRDQUPMEABC-UHFFFAOYSA-N 0 0 214.268 2.124 10 0 BEAERN CN(C)c1cc(OC2CC2)ccc1C=O ZINC000095741479 172545829 /nfs/dbraw/zinc/54/58/29/172545829.db2.gz LTRXKTLSBSDJCL-UHFFFAOYSA-N 0 0 205.257 2.106 10 0 BEAERN CN(Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000002385400 172844839 /nfs/dbraw/zinc/84/48/39/172844839.db2.gz LAGYTWBCVMQMLE-UHFFFAOYSA-N 0 0 245.076 2.073 10 0 BEAERN CN(Cc1ccccc1N)c1nccs1 ZINC000037672816 172877034 /nfs/dbraw/zinc/87/70/34/172877034.db2.gz CQDPSGYZJDXAJS-UHFFFAOYSA-N 0 0 219.313 2.362 10 0 BEAERN CN(Cc1cccnc1)c1ccccc1N ZINC000036771249 172886791 /nfs/dbraw/zinc/88/67/91/172886791.db2.gz HZULMFFDKWIWGO-UHFFFAOYSA-N 0 0 213.284 2.300 10 0 BEAERN CN1C(=O)CC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000040640508 172962290 /nfs/dbraw/zinc/96/22/90/172962290.db2.gz GREXNIICGIQJBG-OLZOCXBDSA-N 0 0 215.296 2.337 10 0 BEAERN C[NH+]1CCC(c2cccc(C(=O)[O-])c2)CC1 ZINC000075905966 173001289 /nfs/dbraw/zinc/00/12/89/173001289.db2.gz YLJCTQNPFZLJDN-UHFFFAOYSA-N 0 0 219.284 2.194 10 0 BEAERN CN1CC[C@@H](SCc2ccccc2F)C1=O ZINC000116397486 173128514 /nfs/dbraw/zinc/12/85/14/173128514.db2.gz BMHZTSGCYNWOBQ-LLVKDONJSA-N 0 0 239.315 2.290 10 0 BEAERN CN1CCc2cc(N)cc(Br)c21 ZINC000082359365 173170890 /nfs/dbraw/zinc/17/08/90/173170890.db2.gz XMKNLZVIZWBQIM-UHFFFAOYSA-N 0 0 227.105 2.024 10 0 BEAERN CNC(=O)N1CCc2sccc2[C@@H]1C ZINC000048645047 173285902 /nfs/dbraw/zinc/28/59/02/173285902.db2.gz DTXHGOAIWSITHM-ZETCQYMHSA-N 0 0 210.302 2.007 10 0 BEAERN CNC(=O)N1CCc2cc(Cl)ccc21 ZINC000195965161 173286003 /nfs/dbraw/zinc/28/60/03/173286003.db2.gz QOWKAYKNCKAFHW-UHFFFAOYSA-N 0 0 210.664 2.042 10 0 BEAERN CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178077283 173291644 /nfs/dbraw/zinc/29/16/44/173291644.db2.gz QSYLLDBQZBRUOF-VIFPVBQESA-N 0 0 246.232 2.089 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020308642 173295559 /nfs/dbraw/zinc/29/55/59/173295559.db2.gz CTCAVPVBLPRMGN-ZCFIWIBFSA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cccc2c1CCCC2 ZINC000020306694 173295702 /nfs/dbraw/zinc/29/57/02/173295702.db2.gz LHFHRJNIISEUMT-SNVBAGLBSA-N 0 0 232.327 2.112 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(Cl)c(F)c1 ZINC000042580111 173295734 /nfs/dbraw/zinc/29/57/34/173295734.db2.gz DHVKMGINBIQKIW-ZCFIWIBFSA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)c1ccc(O)c(C(C)(C)C)c1 ZINC000095712363 173311274 /nfs/dbraw/zinc/31/12/74/173311274.db2.gz MQHROBFGXXRLRS-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1ccc2ccccc2c1NC ZINC000005329133 173311403 /nfs/dbraw/zinc/31/14/03/173311403.db2.gz JDLOSKJIYAWDPS-UHFFFAOYSA-N 0 0 214.268 2.241 10 0 BEAERN CNC(=O)c1cccc(Cl)c1OC1CC1 ZINC000095727301 173311872 /nfs/dbraw/zinc/31/18/72/173311872.db2.gz CVBJNXSBLRGNAH-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=O)c1ccccc1OCc1cccnc1 ZINC000039225894 173312213 /nfs/dbraw/zinc/31/22/13/173312213.db2.gz FBQROCPWVTXKSV-UHFFFAOYSA-N 0 0 242.278 2.020 10 0 BEAERN CNC(=S)[C@@H]1CCCc2cccnc21 ZINC000137910929 173316763 /nfs/dbraw/zinc/31/67/63/173316763.db2.gz ZWLNJZRTYTWLTG-SECBINFHSA-N 0 0 206.314 2.048 10 0 BEAERN CNCc1noc(-c2ccc(Cl)cc2)n1 ZINC000051848618 173399298 /nfs/dbraw/zinc/39/92/98/173399298.db2.gz BQCVYLIMVOJXPX-UHFFFAOYSA-N 0 0 223.663 2.109 10 0 BEAERN CNCc1noc(-c2cccc(C)c2Cl)n1 ZINC000129155352 173399502 /nfs/dbraw/zinc/39/95/02/173399502.db2.gz HIBBMVGIEKEVEP-UHFFFAOYSA-N 0 0 237.690 2.418 10 0 BEAERN CNCc1noc(-c2ccc(F)cc2Cl)n1 ZINC000051848590 173399937 /nfs/dbraw/zinc/39/99/37/173399937.db2.gz WRMRSWVVWRQVKP-UHFFFAOYSA-N 0 0 241.653 2.249 10 0 BEAERN CNc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082161902 173472178 /nfs/dbraw/zinc/47/21/78/173472178.db2.gz SBDZILDEZSIPNJ-UHFFFAOYSA-N 0 0 233.246 2.333 10 0 BEAERN CNc1ccc(C(=O)Nc2nccs2)o1 ZINC000039126855 173478434 /nfs/dbraw/zinc/47/84/34/173478434.db2.gz NEJHUDYRWPXPLZ-UHFFFAOYSA-N 0 0 223.257 2.030 10 0 BEAERN COC(=O)/C=C\c1ccc(Br)o1 ZINC000203580888 173498110 /nfs/dbraw/zinc/49/81/10/173498110.db2.gz HHPXRRQKAZDWDG-HYXAFXHYSA-N 0 0 231.045 2.228 10 0 BEAERN COC(=O)NCc1c[nH]c2ccccc12 ZINC000028650774 173659403 /nfs/dbraw/zinc/65/94/03/173659403.db2.gz VSKMGYWLFHMVGB-UHFFFAOYSA-N 0 0 204.229 2.024 10 0 BEAERN COC(=O)[C@@H](C)C(=O)[C@H]1CCCc2ccccc21 ZINC000063158423 173666288 /nfs/dbraw/zinc/66/62/88/173666288.db2.gz VNYYTSFKYDSMAT-GWCFXTLKSA-N 0 0 246.306 2.485 10 0 BEAERN COC(=O)[C@@H](C)CNc1ccc(F)c(F)c1F ZINC000035757752 173676260 /nfs/dbraw/zinc/67/62/60/173676260.db2.gz IRBJZDVMPRVPCW-LURJTMIESA-N 0 0 247.216 2.325 10 0 BEAERN COC(=O)[C@@H](C)C[C@@H](O)c1cccc(F)c1F ZINC000104247774 173677125 /nfs/dbraw/zinc/67/71/25/173677125.db2.gz LMTKHJILPYRGAB-OIBJUYFYSA-N 0 0 244.237 2.197 10 0 BEAERN COC(=O)[C@@H](C)c1ccc(N)cc1Cl ZINC000075623149 173695493 /nfs/dbraw/zinc/69/54/93/173695493.db2.gz ARQAPSSEBPITFF-LURJTMIESA-N 0 0 213.664 2.199 10 0 BEAERN COC(=O)[C@@H](NCc1ccc(C)s1)C(C)C ZINC000035346261 173711837 /nfs/dbraw/zinc/71/18/37/173711837.db2.gz WJDWKMVIONIVLF-NSHDSACASA-N 0 0 241.356 2.344 10 0 BEAERN COC(=O)[C@H](C)n1c2ccccc2[nH]c1=S ZINC000049360891 173790250 /nfs/dbraw/zinc/79/02/50/173790250.db2.gz AGPPRJJAWZJWAY-ZETCQYMHSA-N 0 0 236.296 2.433 10 0 BEAERN COC(=O)[C@](C)(NC(C)C)c1ccccc1F ZINC000037445839 173832251 /nfs/dbraw/zinc/83/22/51/173832251.db2.gz QAFIDACFSMNKLI-CYBMUJFWSA-N 0 0 239.290 2.212 10 0 BEAERN COC(=O)c1c(N)sc2c1C(C)(C)CC2 ZINC000086855813 173844171 /nfs/dbraw/zinc/84/41/71/173844171.db2.gz PDECIJZNYOHCLT-UHFFFAOYSA-N 0 0 225.313 2.341 10 0 BEAERN COC(=O)c1cc(Cl)cc(C)c1O ZINC000044199569 173857159 /nfs/dbraw/zinc/85/71/59/173857159.db2.gz XOIILCUKKVXHCJ-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN COC(=O)c1ccc(-c2ncccc2O)cc1 ZINC000065339323 173865576 /nfs/dbraw/zinc/86/55/76/173865576.db2.gz INNOVAZVAUABGC-UHFFFAOYSA-N 0 0 229.235 2.241 10 0 BEAERN COC(=O)c1ccc(C)c2c1OCC=C2 ZINC000047844970 173871855 /nfs/dbraw/zinc/87/18/55/173871855.db2.gz VBXUATAYHVAZLS-UHFFFAOYSA-N 0 0 204.225 2.187 10 0 BEAERN COC(=O)c1ccc(CN(C)C(F)(F)F)cc1 ZINC000095076125 173871971 /nfs/dbraw/zinc/87/19/71/173871971.db2.gz SPRNFSBIDPJZGZ-UHFFFAOYSA-N 0 0 247.216 2.425 10 0 BEAERN COC(=O)c1ccccc1N(C)C[C@H]1CCCO1 ZINC000049855896 173899758 /nfs/dbraw/zinc/89/97/58/173899758.db2.gz HVIFICSRYQZRST-LLVKDONJSA-N 0 0 249.310 2.088 10 0 BEAERN COC(=O)c1nc(C2CC2)oc1Br ZINC000166264842 173914955 /nfs/dbraw/zinc/91/49/55/173914955.db2.gz CRHHVKHVAJXEQA-UHFFFAOYSA-N 0 0 246.060 2.101 10 0 BEAERN COC(CNc1ccc(Cl)cc1)OC ZINC000075772027 173963288 /nfs/dbraw/zinc/96/32/88/173963288.db2.gz VLBSVKRHSMYGPP-UHFFFAOYSA-N 0 0 215.680 2.371 10 0 BEAERN COCC(=O)N(C)Cc1ccc(SC)cc1 ZINC000070237323 174038222 /nfs/dbraw/zinc/03/82/22/174038222.db2.gz QCJZSMCUJWQQAG-UHFFFAOYSA-N 0 0 239.340 2.013 10 0 BEAERN COCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162730740 174057331 /nfs/dbraw/zinc/05/73/31/174057331.db2.gz PKZZCFQIBUIQPA-MFKMUULPSA-N 0 0 233.311 2.388 10 0 BEAERN COCC(=O)c1cnc2[nH]ccc2c1Cl ZINC000095938214 174063238 /nfs/dbraw/zinc/06/32/38/174063238.db2.gz IPBCMYDKOBOIDH-UHFFFAOYSA-N 0 0 224.647 2.045 10 0 BEAERN COCCC1(C(C)C)COC(C)OC1 ZINC000002015464 174150756 /nfs/dbraw/zinc/15/07/56/174150756.db2.gz CIWCKAVUXAQVJE-UHFFFAOYSA-N 0 0 202.294 2.058 10 0 BEAERN COCCCNc1ccc2c(c1)OCCCO2 ZINC000037753661 174251889 /nfs/dbraw/zinc/25/18/89/174251889.db2.gz QCRTWPJBMPZLFN-UHFFFAOYSA-N 0 0 237.299 2.296 10 0 BEAERN COCCCNc1nnc(C)c2ccccc21 ZINC000035121128 174252866 /nfs/dbraw/zinc/25/28/66/174252866.db2.gz QGLZFDLHSSWKKU-UHFFFAOYSA-N 0 0 231.299 2.387 10 0 BEAERN COCCCOCC(=O)c1ccc2c(c1)CCC2 ZINC000037747591 174253833 /nfs/dbraw/zinc/25/38/33/174253833.db2.gz RHHIRRMWEJEGKA-UHFFFAOYSA-N 0 0 248.322 2.411 10 0 BEAERN COCCCOCCC(=O)c1ccc(F)cc1 ZINC000037747499 174254339 /nfs/dbraw/zinc/25/43/39/174254339.db2.gz OUSLSEJHXBKIGF-UHFFFAOYSA-N 0 0 240.274 2.452 10 0 BEAERN COCCCO[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000037747518 174256547 /nfs/dbraw/zinc/25/65/47/174256547.db2.gz QONCVHNFZPVZCO-JTQLQIEISA-N 0 0 240.274 2.450 10 0 BEAERN COCCCSCc1nnc(C(C)C)n1C ZINC000187862013 174258602 /nfs/dbraw/zinc/25/86/02/174258602.db2.gz HPRZCKFKWJHBRO-UHFFFAOYSA-N 0 0 243.376 2.208 10 0 BEAERN COCCN(C)c1ccc(N)cc1Cl ZINC000048924528 174284059 /nfs/dbraw/zinc/28/40/59/174284059.db2.gz NXQAGUOCSMBQRH-UHFFFAOYSA-N 0 0 214.696 2.005 10 0 BEAERN COCCN(CC(C)C)c1ccc(CO)cc1 ZINC000042370028 174288293 /nfs/dbraw/zinc/28/82/93/174288293.db2.gz ARNBHEWSWXEQTC-UHFFFAOYSA-N 0 0 237.343 2.288 10 0 BEAERN COCCN(c1c(N)ccc(F)c1F)C1CC1 ZINC000053166196 174301981 /nfs/dbraw/zinc/30/19/81/174301981.db2.gz XXEWSCPZQHMBAM-UHFFFAOYSA-N 0 0 242.269 2.162 10 0 BEAERN COCCNc1cc(F)cc(F)c1F ZINC000061095338 174340722 /nfs/dbraw/zinc/34/07/22/174340722.db2.gz MCWDEBSJXZIUJT-UHFFFAOYSA-N 0 0 205.179 2.162 10 0 BEAERN COCCNc1cc(OC)c(OC)cc1C ZINC000107287911 174340909 /nfs/dbraw/zinc/34/09/09/174340909.db2.gz JHEDTXQNBCXVEB-UHFFFAOYSA-N 0 0 225.288 2.071 10 0 BEAERN COCCNc1nc(-c2cncs2)cs1 ZINC000082688936 174341700 /nfs/dbraw/zinc/34/17/00/174341700.db2.gz CHLNZKUHRRIJQQ-UHFFFAOYSA-N 0 0 241.341 2.325 10 0 BEAERN COCCNc1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000053751123 174342655 /nfs/dbraw/zinc/34/26/55/174342655.db2.gz WSDMCXOAWCMUPU-VHSXEESVSA-N 0 0 239.319 2.422 10 0 BEAERN COCCOc1ccc(C(=O)C2CC2)cc1 ZINC000015014416 174367497 /nfs/dbraw/zinc/36/74/97/174367497.db2.gz YRTBXXVAPKTKQQ-UHFFFAOYSA-N 0 0 220.268 2.305 10 0 BEAERN COCCSc1c(F)cc(N)cc1F ZINC000038040442 174376736 /nfs/dbraw/zinc/37/67/36/174376736.db2.gz GLGNFRHOGMGNJA-UHFFFAOYSA-N 0 0 219.256 2.286 10 0 BEAERN COCCSc1nc2ccccc2cc1CO ZINC000104301968 174377359 /nfs/dbraw/zinc/37/73/59/174377359.db2.gz LDBMBCMFGRTSMA-UHFFFAOYSA-N 0 0 249.335 2.466 10 0 BEAERN COC[C@@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000103378121 174434366 /nfs/dbraw/zinc/43/43/66/174434366.db2.gz XHKMBWCQSZQGQP-GFCCVEGCSA-N 0 0 229.364 2.410 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000103357068 174437001 /nfs/dbraw/zinc/43/70/01/174437001.db2.gz MPDNHENLFFEEEK-SECBINFHSA-N 0 0 241.718 2.239 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000125702295 174438207 /nfs/dbraw/zinc/43/82/07/174438207.db2.gz SMFIAJWIAQHTON-GHMZBOCLSA-N 0 0 227.348 2.354 10 0 BEAERN COC[C@@H](C)Nc1cccnc1Cl ZINC000053173426 174462409 /nfs/dbraw/zinc/46/24/09/174462409.db2.gz JYMCKVFBEZGAHD-SSDOTTSWSA-N 0 0 200.669 2.182 10 0 BEAERN COC[C@@H](C)Nc1ccc2scnc2c1N ZINC000035344307 174462693 /nfs/dbraw/zinc/46/26/93/174462693.db2.gz BGOGVOXWTZXFPK-SSDOTTSWSA-N 0 0 237.328 2.325 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110451074 174526873 /nfs/dbraw/zinc/52/68/73/174526873.db2.gz YOBXPCGVPLHQGY-FPMFFAJLSA-N 0 0 247.338 2.189 10 0 BEAERN COC[C@H](C)C(=O)NCCc1c(C)cccc1C ZINC000129609213 174526969 /nfs/dbraw/zinc/52/69/69/174526969.db2.gz PZMKHKTWUKFDKS-ZDUSSCGKSA-N 0 0 249.354 2.245 10 0 BEAERN COC[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186547107 174553112 /nfs/dbraw/zinc/55/31/12/174553112.db2.gz NVBXQUKTNSSVBS-VIFPVBQESA-N 0 0 249.314 2.111 10 0 BEAERN COC[C@H](C)Nc1cccc(F)c1F ZINC000053196408 174554124 /nfs/dbraw/zinc/55/41/24/174554124.db2.gz ZSLOBISBRCJDFM-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN COC[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109458035 174559889 /nfs/dbraw/zinc/55/98/89/174559889.db2.gz QVANSBJTIUKVHY-VIFPVBQESA-N 0 0 248.282 2.495 10 0 BEAERN COCc1ccc(C(=O)N[C@H]2C=CCCC2)o1 ZINC000134748241 174620833 /nfs/dbraw/zinc/62/08/33/174620833.db2.gz WMRKPUCAFKOEGV-JTQLQIEISA-N 0 0 235.283 2.265 10 0 BEAERN COCc1cccc(C=O)c1Br ZINC000072191320 174628737 /nfs/dbraw/zinc/62/87/37/174628737.db2.gz IEBLLTJRALJHRW-UHFFFAOYSA-N 0 0 229.073 2.408 10 0 BEAERN CONC(=O)CCCSc1ccccc1 ZINC000042003683 174663856 /nfs/dbraw/zinc/66/38/56/174663856.db2.gz UYDOULJDYGNKEU-UHFFFAOYSA-N 0 0 225.313 2.237 10 0 BEAERN CO[C@@H](C)C(=O)Nc1nc(C(C)C)cs1 ZINC000048655790 174681274 /nfs/dbraw/zinc/68/12/74/174681274.db2.gz MOIHWXWFGGEJNV-ZETCQYMHSA-N 0 0 228.317 2.240 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1ccnc(Cl)n1 ZINC000051850357 174753819 /nfs/dbraw/zinc/75/38/19/174753819.db2.gz YFUVQMQOAAUNBV-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1cccc(N)c1 ZINC000050368696 174754014 /nfs/dbraw/zinc/75/40/14/174754014.db2.gz VCMGSYJXZPJETC-VXGBXAGGSA-N 0 0 206.289 2.248 10 0 BEAERN COc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1Cl ZINC000128253530 174948898 /nfs/dbraw/zinc/94/88/98/174948898.db2.gz CBAKTNRPSAERBS-XCBNKYQSSA-N 0 0 239.702 2.487 10 0 BEAERN COc1cc(C(=O)OC2CCCC2)ccc1N ZINC000036225921 174950346 /nfs/dbraw/zinc/95/03/46/174950346.db2.gz SRDOXCJIJBOMNO-UHFFFAOYSA-N 0 0 235.283 2.377 10 0 BEAERN COc1cc(NCc2ccncc2)c(N)cc1F ZINC000104133917 175003123 /nfs/dbraw/zinc/00/31/23/175003123.db2.gz HGMROXBAFRTSNY-UHFFFAOYSA-N 0 0 247.273 2.424 10 0 BEAERN COc1cc(OC)c(OC)cc1/C=C/[C@@H](C)O ZINC000077383759 175007439 /nfs/dbraw/zinc/00/74/39/175007439.db2.gz TZBTXXKHHUVDLM-VUHVRTRXSA-N 0 0 238.283 2.106 10 0 BEAERN COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2C ZINC000021995704 175008936 /nfs/dbraw/zinc/00/89/36/175008936.db2.gz XPWNEOPWBLVXTD-ZETCQYMHSA-N 0 0 222.240 2.116 10 0 BEAERN COc1cc2c(c(OC)c1OC)C(=O)[C@H](C)C2 ZINC000027655797 175020649 /nfs/dbraw/zinc/02/06/49/175020649.db2.gz NZJAFQIOSNDHPN-SSDOTTSWSA-N 0 0 236.267 2.087 10 0 BEAERN COc1cc2nc(Cl)c(C=O)cc2cc1O ZINC000091691488 175028382 /nfs/dbraw/zinc/02/83/82/175028382.db2.gz ATWVCWLGGZYJOL-UHFFFAOYSA-N 0 0 237.642 2.415 10 0 BEAERN COc1ccc(-c2cnc([C@H](C)N)o2)cc1 ZINC000011587070 175037290 /nfs/dbraw/zinc/03/72/90/175037290.db2.gz GPUGCQIHCKFXBE-QMMMGPOBSA-N 0 0 218.256 2.370 10 0 BEAERN COc1ccc(-c2csc(=O)[nH]2)cc1C ZINC000041237168 175037696 /nfs/dbraw/zinc/03/76/96/175037696.db2.gz DSNJKZCOHBXWQU-UHFFFAOYSA-N 0 0 221.281 2.420 10 0 BEAERN COc1ccc(-c2csc(=O)[nH]2)c(OC)c1 ZINC000034669877 175038100 /nfs/dbraw/zinc/03/81/00/175038100.db2.gz DVKHKEWXYDMOBC-UHFFFAOYSA-N 0 0 237.280 2.121 10 0 BEAERN COc1ccc(-c2ncccc2O)c(OC)c1 ZINC000065339341 175040549 /nfs/dbraw/zinc/04/05/49/175040549.db2.gz IENOBINNTSCVEY-UHFFFAOYSA-N 0 0 231.251 2.471 10 0 BEAERN COc1ccc(-c2nnc(C3CC3)o2)cc1N ZINC000050309044 175041504 /nfs/dbraw/zinc/04/15/04/175041504.db2.gz VXSHBMNNRCBHPJ-UHFFFAOYSA-N 0 0 231.255 2.205 10 0 BEAERN COc1ccc(-c2noc(C)c2CO)c(OC)c1 ZINC000057537514 175042445 /nfs/dbraw/zinc/04/24/45/175042445.db2.gz QSOHIBFSVQMKFS-UHFFFAOYSA-N 0 0 249.266 2.160 10 0 BEAERN COc1ccc(-c2noc(N)c2C)cc1 ZINC000026512467 175043464 /nfs/dbraw/zinc/04/34/64/175043464.db2.gz GZSBLJJVDDRBGI-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(/C=C(\C)[N+](=O)[O-])cc1O ZINC000015657776 175046409 /nfs/dbraw/zinc/04/64/09/175046409.db2.gz OPXFTPHZEPWGLN-FNORWQNLSA-N 0 0 209.201 2.038 10 0 BEAERN COc1ccc(/C=C\CCO)cc1OC ZINC000095910747 175048880 /nfs/dbraw/zinc/04/88/80/175048880.db2.gz HJXARZMWFOEQTO-HYXAFXHYSA-N 0 0 208.257 2.099 10 0 biogenic,in-vitro BEAERN COc1ccc(C(=O)C2CC2)c(OC)c1 ZINC000036157890 175053151 /nfs/dbraw/zinc/05/31/51/175053151.db2.gz XDZUENUODJYWNF-UHFFFAOYSA-N 0 0 206.241 2.297 10 0 BEAERN COc1ccc(C(C)(C)C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000162118536 175066647 /nfs/dbraw/zinc/06/66/47/175066647.db2.gz KMMZNLQJNIVJMM-GXFFZTMASA-N 0 0 247.338 2.497 10 0 BEAERN COc1ccc(C)cc1Cn1cc(C(C)=O)cn1 ZINC000054716109 175076474 /nfs/dbraw/zinc/07/64/74/175076474.db2.gz RBXLZDKPOJIMOR-UHFFFAOYSA-N 0 0 244.294 2.451 10 0 BEAERN COc1ccc(C)cc1C[C@H]1COCCC1=O ZINC000076680804 175076974 /nfs/dbraw/zinc/07/69/74/175076974.db2.gz WNPCBDXBVARTFV-LBPRGKRZSA-N 0 0 234.295 2.152 10 0 BEAERN COc1ccc(C)cc1NC(=O)CC[C@H](C)O ZINC000049828729 175077846 /nfs/dbraw/zinc/07/78/46/175077846.db2.gz IRTDUYGDIFIDIZ-JTQLQIEISA-N 0 0 237.299 2.103 10 0 BEAERN COc1ccc(C)cc1N[C@@H]1CCC[C@H]1O ZINC000037689844 175078153 /nfs/dbraw/zinc/07/81/53/175078153.db2.gz MPMGDZIUWKOFGI-ZYHUDNBSSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(C)cc1[C@H](O)Cn1ccnc1C ZINC000042253174 175082284 /nfs/dbraw/zinc/08/22/84/175082284.db2.gz IZNIKKHFYKRQMW-CYBMUJFWSA-N 0 0 246.310 2.242 10 0 BEAERN COc1ccc(C2=NCCC2)cc1OC ZINC000026442937 175085435 /nfs/dbraw/zinc/08/54/35/175085435.db2.gz GUNMASZTYNABNM-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN COc1ccc(CS[C@H](C)CO)cc1 ZINC000038867252 175115255 /nfs/dbraw/zinc/11/52/55/175115255.db2.gz MALAFKVSZBZZKI-SECBINFHSA-N 0 0 212.314 2.309 10 0 BEAERN COc1ccc(C[C@@H](O)CC2CC2)cc1OC ZINC000062137888 175115871 /nfs/dbraw/zinc/11/58/71/175115871.db2.gz WZVVXCUUIXWSMH-LBPRGKRZSA-N 0 0 236.311 2.407 10 0 BEAERN COc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]1C ZINC000092117967 175131649 /nfs/dbraw/zinc/13/16/49/175131649.db2.gz WSWAUSPLGPNTRR-APPZFPTMSA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(F)cc1[C@H](N)c1ccco1 ZINC000035381473 175134535 /nfs/dbraw/zinc/13/45/35/175134535.db2.gz OSNTZQHIIKECDE-LBPRGKRZSA-N 0 0 221.231 2.475 10 0 BEAERN COc1ccc(N)c(NC(=O)OCC(C)C)c1 ZINC000063212522 175136782 /nfs/dbraw/zinc/13/67/82/175136782.db2.gz DLCZHJJLAWCOPQ-UHFFFAOYSA-N 0 0 238.287 2.482 10 0 BEAERN COc1ccc(N)cc1-c1n[nH]c(C(C)(C)C)n1 ZINC000072237628 175137907 /nfs/dbraw/zinc/13/79/07/175137907.db2.gz VGNAYPPOJRODPN-UHFFFAOYSA-N 0 0 246.314 2.360 10 0 BEAERN COc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190269465 175145850 /nfs/dbraw/zinc/14/58/50/175145850.db2.gz NFPPQTMGMWOTFC-ZWNOBZJWSA-N 0 0 249.310 2.449 10 0 BEAERN COc1ccc(NCC(=O)N2CCCC2)cc1C ZINC000049530196 175149179 /nfs/dbraw/zinc/14/91/79/175149179.db2.gz ADLZYCLGDUOSEA-UHFFFAOYSA-N 0 0 248.326 2.038 10 0 BEAERN COc1ccc(NCc2ncc[nH]2)cc1C ZINC000049715722 175153570 /nfs/dbraw/zinc/15/35/70/175153570.db2.gz XPYFPTMLBIIPHL-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000061567664 175153926 /nfs/dbraw/zinc/15/39/26/175153926.db2.gz BZUBLJIRYOIHAJ-OLZOCXBDSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@H]2O)c(C)c1 ZINC000061567666 175154081 /nfs/dbraw/zinc/15/40/81/175154081.db2.gz BZUBLJIRYOIHAJ-CHWSQXEVSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(Nc2c(N)c(C)nn2C)cc1C ZINC000049529113 175156106 /nfs/dbraw/zinc/15/61/06/175156106.db2.gz FMDDPIMAZZFQSO-UHFFFAOYSA-N 0 0 246.314 2.371 10 0 BEAERN COc1ccc(OC)c(-c2cc(=O)cc[nH]2)c1 ZINC000065355931 175162799 /nfs/dbraw/zinc/16/27/99/175162799.db2.gz UTWTUJNLDZUVGF-UHFFFAOYSA-N 0 0 231.251 2.059 10 0 BEAERN COc1ccc(OC)c(C2=NCCC2)c1 ZINC000026442940 175164740 /nfs/dbraw/zinc/16/47/40/175164740.db2.gz JLYQKQFUKIJIHN-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN COc1ccc(OC)c([C@H]2NCCS2)c1 ZINC000058615297 175169773 /nfs/dbraw/zinc/16/97/73/175169773.db2.gz ZBWSPOFLBKHVLD-NSHDSACASA-N 0 0 225.313 2.039 10 0 BEAERN COc1ccc([C@@H]([NH3+])CCCC(=O)[O-])cc1F ZINC000035424668 175179189 /nfs/dbraw/zinc/17/91/89/175179189.db2.gz IWCGFQQMOVZUIP-JTQLQIEISA-N 0 0 241.262 2.089 10 0 BEAERN COc1ccc([C@H](N)C(F)(F)F)c(F)c1 ZINC000037504474 175191315 /nfs/dbraw/zinc/19/13/15/175191315.db2.gz JSOLLWSARAHHLY-QMMMGPOBSA-N 0 0 223.169 2.396 10 0 BEAERN COc1ccc([C@H](O)c2cncc(F)c2)cc1 ZINC000049577007 175194055 /nfs/dbraw/zinc/19/40/55/175194055.db2.gz PXUFXGKPQBWUBU-ZDUSSCGKSA-N 0 0 233.242 2.311 10 0 BEAERN COc1ccc([C@H]2Cc3n[nH]cc3[C@@H](O)C2)cc1 ZINC000072415195 175197679 /nfs/dbraw/zinc/19/76/79/175197679.db2.gz CABAMYJWUPJCQX-HZMBPMFUSA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccc2c(C)c(C)c(=O)oc2c1O ZINC000039098300 175203814 /nfs/dbraw/zinc/20/38/14/175203814.db2.gz FNAUDGFPYJGAIT-UHFFFAOYSA-N 0 0 220.224 2.124 10 0 BEAERN COc1ccc2c(c1)c(Br)nn2C ZINC000095930242 175218194 /nfs/dbraw/zinc/21/81/94/175218194.db2.gz GAACIBBQJSMZMD-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1ccc2c(c1)nc(C=O)n2C(C)C ZINC000076080907 175218643 /nfs/dbraw/zinc/21/86/43/175218643.db2.gz PBMYHFDFXQTYFU-UHFFFAOYSA-N 0 0 218.256 2.438 10 0 BEAERN COc1ccc2c(n1)N(c1ccccc1)C(=O)C2 ZINC000089221213 175224100 /nfs/dbraw/zinc/22/41/00/175224100.db2.gz ZLGXAACDWNTJOZ-UHFFFAOYSA-N 0 0 240.262 2.311 10 0 BEAERN COc1ccc2cc(Br)ncc2n1 ZINC000222948802 175224153 /nfs/dbraw/zinc/22/41/53/175224153.db2.gz IOWYFIHOOGTGBG-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN COc1ccc2cc([C@@](C)([NH3+])C(=O)[O-])ccc2c1 ZINC000019519373 175224325 /nfs/dbraw/zinc/22/43/25/175224325.db2.gz MFOPLKBFMFXOBI-CQSZACIVSA-N 0 0 245.278 2.107 10 0 BEAERN COc1ccc2nc(C=O)c(Cl)nc2c1 ZINC000037408011 175227957 /nfs/dbraw/zinc/22/79/57/175227957.db2.gz NXZFRMSIGROEAH-UHFFFAOYSA-N 0 0 222.631 2.104 10 0 BEAERN COc1ccc2nc([C@@H](C)O)sc2c1 ZINC000075852906 175229446 /nfs/dbraw/zinc/22/94/46/175229446.db2.gz NYWFLGSUIFQCTO-ZCFIWIBFSA-N 0 0 209.270 2.358 10 0 BEAERN COc1cccc(-c2c(C)noc2N)c1 ZINC000026512379 175233026 /nfs/dbraw/zinc/23/30/26/175233026.db2.gz NSNJGSZZUFCSIQ-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1cccc(-c2nc(C)c(C)c(=O)[nH]2)c1 ZINC000037947672 175236226 /nfs/dbraw/zinc/23/62/26/175236226.db2.gz SYUMQKYYDQGVMS-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN COc1cccc(-c2nc(N)nc(C(C)C)n2)c1 ZINC000104383160 175236458 /nfs/dbraw/zinc/23/64/58/175236458.db2.gz ACPMPZDWHUBDJN-UHFFFAOYSA-N 0 0 244.298 2.253 10 0 BEAERN COc1cccc(-c2ncsc2N)c1OC ZINC000050307972 175237843 /nfs/dbraw/zinc/23/78/43/175237843.db2.gz BNFJQPULIOFFQA-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COc1cccc(-n2ncc(C=O)c2C)c1 ZINC000082661337 175239817 /nfs/dbraw/zinc/23/98/17/175239817.db2.gz BFUIRZPBCPVBMS-UHFFFAOYSA-N 0 0 216.240 2.002 10 0 BEAERN COc1cccc(C(=O)N2CCC[C@@H]2C)c1O ZINC000037912268 175243503 /nfs/dbraw/zinc/24/35/03/175243503.db2.gz STTFFCPXCNHDKH-VIFPVBQESA-N 0 0 235.283 2.025 10 0 BEAERN COc1cccc(C=O)c1OCC1CC1 ZINC000036765385 175249197 /nfs/dbraw/zinc/24/91/97/175249197.db2.gz VFWBDIPOMLBVTE-UHFFFAOYSA-N 0 0 206.241 2.297 10 0 BEAERN COc1cccc(CNCc2ccnc(C)n2)c1 ZINC000037997707 175265994 /nfs/dbraw/zinc/26/59/94/175265994.db2.gz HRZSJKNEIXPBMV-UHFFFAOYSA-N 0 0 243.310 2.083 10 0 BEAERN COc1cccc(COCCCC(N)=S)c1 ZINC000019436748 175270165 /nfs/dbraw/zinc/27/01/65/175270165.db2.gz JHSHVFMMVLMJCW-UHFFFAOYSA-N 0 0 239.340 2.278 10 0 BEAERN COc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000121724727 175277311 /nfs/dbraw/zinc/27/73/11/175277311.db2.gz VPTAZDMKJXQXPI-BXKDBHETSA-N 0 0 235.283 2.201 10 0 BEAERN COc1cccc(NCc2ccncn2)c1 ZINC000054788688 175279079 /nfs/dbraw/zinc/27/90/79/175279079.db2.gz GHOKMKCYNRVGOB-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1cccc(NCc2ccc(O)cc2)n1 ZINC000083357267 175279483 /nfs/dbraw/zinc/27/94/83/175279483.db2.gz SSJSIUJDLAYMED-UHFFFAOYSA-N 0 0 230.267 2.408 10 0 BEAERN COc1cccc(Nc2ccc(N)c(OC)n2)c1 ZINC000037067771 175280731 /nfs/dbraw/zinc/28/07/31/175280731.db2.gz BRNSKDLBLZCXLE-UHFFFAOYSA-N 0 0 245.282 2.425 10 0 BEAERN COc1cccc(OC)c1[C@H](N)C(F)(F)F ZINC000072195103 175282883 /nfs/dbraw/zinc/28/28/83/175282883.db2.gz SQZHNJAYNMILNK-VIFPVBQESA-N 0 0 235.205 2.266 10 0 BEAERN COc1cccc([C@@H](CC(=O)[O-])[NH+]2CCCC2)c1 ZINC000057537596 175287406 /nfs/dbraw/zinc/28/74/06/175287406.db2.gz OXSXLFCFMHBJMJ-CYBMUJFWSA-N 0 0 249.310 2.307 10 0 BEAERN COc1cccc([C@H](O)c2cncc(F)c2)c1 ZINC000049577014 175296354 /nfs/dbraw/zinc/29/63/54/175296354.db2.gz JPKNKWOZHQOWGK-ZDUSSCGKSA-N 0 0 233.242 2.311 10 0 BEAERN COc1cccc2c1C1(CCCC1)C(=O)N2 ZINC000095829864 175300975 /nfs/dbraw/zinc/30/09/75/175300975.db2.gz BYWBNDZXJODJNF-UHFFFAOYSA-N 0 0 217.268 2.459 10 0 BEAERN COc1cccc2c1C[C@H](NC(=O)C1CC1)CC2 ZINC000003792125 175302988 /nfs/dbraw/zinc/30/29/88/175302988.db2.gz NSYVRPWBXONUOS-GFCCVEGCSA-N 0 0 245.322 2.079 10 0 BEAERN COc1cccc2nc(N(C)C)sc21 ZINC000045236734 175307424 /nfs/dbraw/zinc/30/74/24/175307424.db2.gz WAEAXRGWUNYRPS-UHFFFAOYSA-N 0 0 208.286 2.371 10 0 BEAERN COc1ccccc1-c1ncc(CO)s1 ZINC000045205729 175311699 /nfs/dbraw/zinc/31/16/99/175311699.db2.gz HZJOPSPYOJHXQE-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1ccccc1CNc1ccncn1 ZINC000040862909 175331160 /nfs/dbraw/zinc/33/11/60/175331160.db2.gz BHCPXHSISYOPAY-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccccc1C[C@H]1CCC[C@H]1O ZINC000043656336 175333702 /nfs/dbraw/zinc/33/37/02/175333702.db2.gz BEZPHADQLNSEQG-ZYHUDNBSSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccccc1C[C@H]1CSCC1=O ZINC000076672433 175334127 /nfs/dbraw/zinc/33/41/27/175334127.db2.gz LTIAGMCXKYYICL-JTQLQIEISA-N 0 0 222.309 2.170 10 0 BEAERN COc1ccccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000121727706 175336913 /nfs/dbraw/zinc/33/69/13/175336913.db2.gz PJYXHUJTTNFYKX-JOYOIKCWSA-N 0 0 235.283 2.201 10 0 BEAERN COc1ccccc1NCc1cncnc1 ZINC000054766863 175338085 /nfs/dbraw/zinc/33/80/85/175338085.db2.gz ITMKQDHBJRAOQB-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003745073 175344993 /nfs/dbraw/zinc/34/49/93/175344993.db2.gz YJUPZGMOVUGUGP-ZYHUDNBSSA-N 0 0 249.310 2.305 10 0 BEAERN COc1ccccc1[C@@H]1Cc2n[nH]cc2[C@H](O)C1 ZINC000072415216 175349932 /nfs/dbraw/zinc/34/99/32/175349932.db2.gz CAWYJYSINXHUFK-NOZJJQNGSA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccccc1[C@H]1Cc2n[nH]cc2[C@H](O)C1 ZINC000072415217 175355329 /nfs/dbraw/zinc/35/53/29/175355329.db2.gz CAWYJYSINXHUFK-TVQRCGJNSA-N 0 0 244.294 2.182 10 0 BEAERN COc1cccn2c(C=O)c(C(C)C)nc12 ZINC000077002062 175356037 /nfs/dbraw/zinc/35/60/37/175356037.db2.gz AACZFEIEOBHCKX-UHFFFAOYSA-N 0 0 218.256 2.279 10 0 BEAERN COc1ccccc1[C@](C)(O)c1cccnc1 ZINC000037761304 175356231 /nfs/dbraw/zinc/35/62/31/175356231.db2.gz GLXLKZCGCSWJBU-CQSZACIVSA-N 0 0 229.279 2.346 10 0 BEAERN COc1ccnc2n[nH]c(C3CCC3)c21 ZINC000116800594 175368989 /nfs/dbraw/zinc/36/89/89/175368989.db2.gz LLEGFWYFRIVUSN-UHFFFAOYSA-N 0 0 203.245 2.234 10 0 BEAERN COc1nc(N(C)C2CCCCC2)ccc1N ZINC000037066436 175392596 /nfs/dbraw/zinc/39/25/96/175392596.db2.gz VDRSJRZSXNYNFB-UHFFFAOYSA-N 0 0 235.331 2.441 10 0 BEAERN COc1nc2cc(C)c(C)cc2nc1OC ZINC000013821243 175396424 /nfs/dbraw/zinc/39/64/24/175396424.db2.gz MOEBPIYXNBWPEJ-UHFFFAOYSA-N 0 0 218.256 2.264 10 0 BEAERN COc1nc(Sc2ccccn2)ccc1N ZINC000037077866 175396516 /nfs/dbraw/zinc/39/65/16/175396516.db2.gz SSXWHFCFBOBZAY-UHFFFAOYSA-N 0 0 233.296 2.219 10 0 BEAERN CS(=O)(=O)c1ccc(F)c(NC2CCC2)c1 ZINC000044481282 175438128 /nfs/dbraw/zinc/43/81/28/175438128.db2.gz DBIBAIRCQGGXKH-UHFFFAOYSA-N 0 0 243.303 2.194 10 0 BEAERN CS(=O)(=O)n1ccc2ccc(Cl)cc21 ZINC000037625194 175440121 /nfs/dbraw/zinc/44/01/21/175440121.db2.gz QSTNUTMNTGCQSE-UHFFFAOYSA-N 0 0 229.688 2.102 10 0 BEAERN CSCCCCC(=O)N(C)C[C@@H]1CCCO1 ZINC000120732375 175472776 /nfs/dbraw/zinc/47/27/76/175472776.db2.gz JFSCMSAFVXKTCU-NSHDSACASA-N 0 0 245.388 2.157 10 0 BEAERN CSCCCCC(=O)N[C@H]1C[C@@H]1C ZINC000120980417 175473562 /nfs/dbraw/zinc/47/35/62/175473562.db2.gz DEDNNTHXWJMAEH-IUCAKERBSA-N 0 0 201.335 2.044 10 0 BEAERN CSC[C@@H](C)C(=O)N1CCCC1(C)C ZINC000108994324 175510458 /nfs/dbraw/zinc/51/04/58/175510458.db2.gz SBLGLBIOVVZZIT-SECBINFHSA-N 0 0 215.362 2.387 10 0 BEAERN C[C@@H](CN(C)c1ccccc1)C(N)=S ZINC000036677589 175703592 /nfs/dbraw/zinc/70/35/92/175703592.db2.gz YVBAUZKJLIYFPN-VIFPVBQESA-N 0 0 208.330 2.045 10 0 BEAERN C[C@@H]([NH3+])[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000082294905 175809748 /nfs/dbraw/zinc/80/97/48/175809748.db2.gz SUUXMHUUJIEKNH-GMSGAONNSA-N 0 0 227.691 2.246 10 0 BEAERN C[C@@H](Nc1ccc(O)cc1)c1cnn(C)c1 ZINC000044498208 175931412 /nfs/dbraw/zinc/93/14/12/175931412.db2.gz MQACDUYXYRSSJC-SECBINFHSA-N 0 0 217.272 2.299 10 0 BEAERN C[C@@H](Nc1ccccc1Cl)C(=O)NC1CC1 ZINC000020300813 175933881 /nfs/dbraw/zinc/93/38/81/175933881.db2.gz JPOGAZOTCYUMPS-MRVPVSSYSA-N 0 0 238.718 2.419 10 0 BEAERN C[C@@H](O)COc1cccc2scnc21 ZINC000062200219 175985392 /nfs/dbraw/zinc/98/53/92/175985392.db2.gz YQUJJVLZFFHXLI-SSDOTTSWSA-N 0 0 209.270 2.056 10 0 BEAERN C[C@@H](O)[C@@H](C)Oc1cc(F)ccc1F ZINC000070820110 175991711 /nfs/dbraw/zinc/99/17/11/175991711.db2.gz ZSBKOEWLMLGXMW-RNFRBKRXSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@@H](O)c1cccc(C(=O)OC(C)(C)C)c1N ZINC000090624091 175999289 /nfs/dbraw/zinc/99/92/89/175999289.db2.gz JKQYBLXDXZDELX-MRVPVSSYSA-N 0 0 237.299 2.277 10 0 BEAERN C[C@@H](O)c1ccccc1NC[C@@H]1CCOC1 ZINC000049542429 176000128 /nfs/dbraw/zinc/00/01/28/176000128.db2.gz BVZSLGJAOZVKCZ-MNOVXSKESA-N 0 0 221.300 2.188 10 0 BEAERN C[C@@H](OC[C@@H]1CCOC1)C(=O)c1ccccc1 ZINC000049690523 176002865 /nfs/dbraw/zinc/00/28/65/176002865.db2.gz UCCRVXPYBUBYRZ-VXGBXAGGSA-N 0 0 234.295 2.311 10 0 BEAERN C[C@@H](OC[C@H]1CCOC1)C(=O)c1ccccc1 ZINC000049690525 176003203 /nfs/dbraw/zinc/00/32/03/176003203.db2.gz UCCRVXPYBUBYRZ-NEPJUHHUSA-N 0 0 234.295 2.311 10 0 BEAERN C[C@@H](c1ccc(N)cc1)N1CCCCC1=O ZINC000037177487 176015887 /nfs/dbraw/zinc/01/58/87/176015887.db2.gz DTYGUODRGJJNNR-JTQLQIEISA-N 0 0 218.300 2.342 10 0 BEAERN C[C@@H](c1ccco1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000082249683 176033010 /nfs/dbraw/zinc/03/30/10/176033010.db2.gz IICQAJHHVLYTTL-VHSXEESVSA-N 0 0 223.272 2.280 10 0 BEAERN C[C@@H](c1ccco1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000082249744 176033300 /nfs/dbraw/zinc/03/33/00/176033300.db2.gz SMBWERZZESFWJX-VIFPVBQESA-N 0 0 223.272 2.137 10 0 BEAERN C[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000075980934 176033989 /nfs/dbraw/zinc/03/39/89/176033989.db2.gz CEFYXSPYMLQDOR-SCVCMEIPSA-N 0 0 233.315 2.192 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@](C(=O)[O-])([NH+](C)C)C1 ZINC000037358077 176052323 /nfs/dbraw/zinc/05/23/23/176052323.db2.gz VTBYZJYSHSWJDU-BXKDBHETSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000037183497 176052638 /nfs/dbraw/zinc/05/26/38/176052638.db2.gz TXAIXBCNNUNUAV-NOZJJQNGSA-N 0 0 225.332 2.408 10 0 BEAERN C[C@@H]1CCCCN1c1nnc(C2CCC2)n1C ZINC000336426010 176075720 /nfs/dbraw/zinc/07/57/20/176075720.db2.gz KABIMKKOVMRUOJ-SNVBAGLBSA-N 0 0 234.347 2.461 10 0 BEAERN C[C@@H]1CCCC[C@@H]1OCc1nnsc1N ZINC000050831659 176083056 /nfs/dbraw/zinc/08/30/56/176083056.db2.gz TWWGCIQVKBATDC-APPZFPTMSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(N)cn1C ZINC000042828520 176084191 /nfs/dbraw/zinc/08/41/91/176084191.db2.gz VPSNEPPDIJGVRW-MNOVXSKESA-N 0 0 249.358 2.163 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2ccc(N)cc2N)CC1 ZINC000104352023 176095722 /nfs/dbraw/zinc/09/57/22/176095722.db2.gz DMZALPHSIRYWLI-SNVBAGLBSA-N 0 0 247.342 2.113 10 0 BEAERN C[C@@H]1CCCN1CC(=O)c1cc(F)ccc1O ZINC000037911596 176109416 /nfs/dbraw/zinc/10/94/16/176109416.db2.gz NKKXQDFNVKSNEX-SECBINFHSA-N 0 0 237.274 2.198 10 0 BEAERN C[C@@H]1CCC[C@@H](C)[NH+]1CC(C)(C)C(=O)[O-] ZINC000011884076 176115231 /nfs/dbraw/zinc/11/52/31/176115231.db2.gz XDDGZIBELHPAAX-NXEZZACHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)c2csc(N)n2)C1 ZINC000055185404 176123037 /nfs/dbraw/zinc/12/30/37/176123037.db2.gz SQRQCVXPMIRMDD-HTQZYQBOSA-N 0 0 239.344 2.034 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOCC1(C)C ZINC000335985079 176125820 /nfs/dbraw/zinc/12/58/20/176125820.db2.gz GEFNEXUINAKKGZ-MNOVXSKESA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000300419290 176125972 /nfs/dbraw/zinc/12/59/72/176125972.db2.gz VIFCCCSWEDRCHU-NDBYEHHHSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1CCCO ZINC000300240379 176126184 /nfs/dbraw/zinc/12/61/84/176126184.db2.gz LFTMHGGZKZQUIB-AGIUHOORSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CO)C1CCCC1 ZINC000359616888 176127108 /nfs/dbraw/zinc/12/71/08/176127108.db2.gz DOQSBBVXYULIAV-KGYLQXTDSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1n1nnnc1-c1ccc(N)cc1 ZINC000071209149 176133005 /nfs/dbraw/zinc/13/30/05/176133005.db2.gz LYBLWHJXVZFIPU-SKDRFNHKSA-N 0 0 243.314 2.283 10 0 BEAERN C[C@@H]1CCC[C@@]([NH2+]CC2CC2)(C(=O)[O-])C1 ZINC000037967193 176133869 /nfs/dbraw/zinc/13/38/69/176133869.db2.gz QGIGEACZDQOXAZ-SKDRFNHKSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@@H]1CCC[C@@](CO)(Nc2nccs2)C1 ZINC000053111249 176133924 /nfs/dbraw/zinc/13/39/24/176133924.db2.gz INQZAEDSTSRNDI-MWLCHTKSSA-N 0 0 226.345 2.496 10 0 BEAERN C[C@@H]1CCC[C@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491631 176140243 /nfs/dbraw/zinc/14/02/43/176140243.db2.gz ONCPVNNTQCZBQF-ZJUUUORDSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H]1CCN(C(=O)c2cc3cccc(N)c3[nH]2)C1 ZINC000062833855 176162777 /nfs/dbraw/zinc/16/27/77/176162777.db2.gz SZMRPEZALLVHHC-SECBINFHSA-N 0 0 243.310 2.232 10 0 BEAERN C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCN3)C1 ZINC000040724714 176163496 /nfs/dbraw/zinc/16/34/96/176163496.db2.gz HNTMDVFKPPHMCI-SNVBAGLBSA-N 0 0 230.311 2.137 10 0 BEAERN C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2CCCCC2)C1 ZINC000126108569 176185914 /nfs/dbraw/zinc/18/59/14/176185914.db2.gz UZULDVZGGXHSNY-DGCLKSJQSA-N 0 0 238.375 2.071 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCCCc2ccccc2)O1 ZINC000122200131 176195646 /nfs/dbraw/zinc/19/56/46/176195646.db2.gz GBCVSBOOVYDMDC-OCCSQVGLSA-N 0 0 247.338 2.303 10 0 BEAERN C[C@@H]1CC[C@@H](Nc2nccnc2N(C)C)C1 ZINC000302494094 176215159 /nfs/dbraw/zinc/21/51/59/176215159.db2.gz AVWIUZNWRIOCCY-NXEZZACHSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@@H]1CC[C@H](Nc2nccnc2N(C)C)C1 ZINC000302494097 176235070 /nfs/dbraw/zinc/23/50/70/176235070.db2.gz AVWIUZNWRIOCCY-ZJUUUORDSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@H]1C(=O)CN(Cc2ccccc2)C[C@H]1C ZINC000068592830 176306578 /nfs/dbraw/zinc/30/65/78/176306578.db2.gz XAROUNQNJBQCKU-VXGBXAGGSA-N 0 0 217.312 2.344 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)s2)C[C@@H](C)O1 ZINC000021952086 176318796 /nfs/dbraw/zinc/31/87/96/176318796.db2.gz VMPAOJHOTKVLQZ-RKDXNWHRSA-N 0 0 225.313 2.174 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2N)CCCO1 ZINC000061916714 176319118 /nfs/dbraw/zinc/31/91/18/176319118.db2.gz YBUWEIXSYOTZKE-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1COc2c(Cl)cccc2NC1=O ZINC000062525469 176347924 /nfs/dbraw/zinc/34/79/24/176347924.db2.gz PMNWAIZRTKFLAE-ZCFIWIBFSA-N 0 0 211.648 2.307 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1cc(N)ccc1F ZINC000021953778 176387250 /nfs/dbraw/zinc/38/72/50/176387250.db2.gz UHSGEUAHGUHNNT-SVRRBLITSA-N 0 0 208.236 2.002 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCc1cccc(F)c1F ZINC000075510137 176399922 /nfs/dbraw/zinc/39/99/22/176399922.db2.gz BNSPCZRRBXWQBZ-KCJUWKMLSA-N 0 0 239.265 2.422 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)CCO2 ZINC000170824608 176401874 /nfs/dbraw/zinc/40/18/74/176401874.db2.gz PFUYDBNAHSWBAJ-KCJUWKMLSA-N 0 0 232.283 2.151 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncccc1Cl ZINC000134575396 176474909 /nfs/dbraw/zinc/47/49/09/176474909.db2.gz JCFCPBXKSVLUOW-CBAPKCEASA-N 0 0 212.680 2.324 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000149961925 176481012 /nfs/dbraw/zinc/48/10/12/176481012.db2.gz KJUHLIAZBXKZQD-NKWVEPMBSA-N 0 0 247.220 2.085 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1C(=O)C(C)(C)C1CCC1 ZINC000322148988 176503412 /nfs/dbraw/zinc/50/34/12/176503412.db2.gz SGSNZACBEYHUFH-ZYHUDNBSSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H](C(=O)N1CCCC[C@H](CO)C1)C(C)(C)C ZINC000370674078 176561955 /nfs/dbraw/zinc/56/19/55/176561955.db2.gz SAUPUPFCJUHAFH-NEPJUHHUSA-N 0 0 241.375 2.290 10 0 BEAERN C[C@H](CO)N(C)C(=O)c1cccc2ccccc21 ZINC000135455737 176697506 /nfs/dbraw/zinc/69/75/06/176697506.db2.gz GDWFSEVNDOZDEY-LLVKDONJSA-N 0 0 243.306 2.293 10 0 BEAERN C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000049355435 176889643 /nfs/dbraw/zinc/88/96/43/176889643.db2.gz MANPACGUOQKETI-UWVGGRQHSA-N 0 0 233.311 2.299 10 0 BEAERN C[C@H](Nc1ccc(N)cc1F)[C@H]1CCCO1 ZINC000035734642 176932964 /nfs/dbraw/zinc/93/29/64/176932964.db2.gz GJECEGDTGICBQB-QPUJVOFHSA-N 0 0 224.279 2.387 10 0 BEAERN C[C@H](O)c1cccc(C(=O)OC(C)(C)C)c1N ZINC000090624090 177016998 /nfs/dbraw/zinc/01/69/98/177016998.db2.gz JKQYBLXDXZDELX-QMMMGPOBSA-N 0 0 237.299 2.277 10 0 BEAERN C[C@H](O)c1cccc(NC(=O)Nc2cnoc2)c1 ZINC000061685878 177017065 /nfs/dbraw/zinc/01/70/65/177017065.db2.gz WLDHIZPFPFIIDD-QMMMGPOBSA-N 0 0 247.254 2.372 10 0 BEAERN C[C@H](O)c1ccc(Sc2nccc(=O)[nH]2)cc1 ZINC000104301957 177017417 /nfs/dbraw/zinc/01/74/17/177017417.db2.gz WSWMYBFSLDGUHW-QMMMGPOBSA-N 0 0 248.307 2.387 10 0 BEAERN C[C@H](O)c1ccc(NC(=O)[C@@H]2CCCOC2)cc1 ZINC000062238695 177017544 /nfs/dbraw/zinc/01/75/44/177017544.db2.gz VTLOTXUUJBPLJI-CMPLNLGQSA-N 0 0 249.310 2.105 10 0 BEAERN C[C@H](O)c1cnc(N(C)Cc2ccncc2)s1 ZINC000054911301 177018037 /nfs/dbraw/zinc/01/80/37/177018037.db2.gz LMZDDYNCFMKZKR-VIFPVBQESA-N 0 0 249.339 2.228 10 0 BEAERN C[C@H](O)c1cnc2ccc(Br)cn21 ZINC000031935515 177018105 /nfs/dbraw/zinc/01/81/05/177018105.db2.gz KFHUQEUDHCMOLJ-LURJTMIESA-N 0 0 241.088 2.150 10 0 BEAERN C[C@H](O)c1ccccc1NC[C@H]1CCOC1 ZINC000049542430 177018252 /nfs/dbraw/zinc/01/82/52/177018252.db2.gz BVZSLGJAOZVKCZ-WDEREUQCSA-N 0 0 221.300 2.188 10 0 BEAERN C[C@H](Oc1ccccc1N)C(=O)NC1CCCC1 ZINC000037985382 177024365 /nfs/dbraw/zinc/02/43/65/177024365.db2.gz WNIJYBLMIKLOAP-JTQLQIEISA-N 0 0 248.326 2.095 10 0 BEAERN C[C@H](c1c(F)cccc1F)n1nccc1N ZINC000019689294 177031500 /nfs/dbraw/zinc/03/15/00/177031500.db2.gz KFBLUOSIRZVVPF-SSDOTTSWSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@H](c1cccc(N)c1)N1CCCCC1=O ZINC000037177810 177036941 /nfs/dbraw/zinc/03/69/41/177036941.db2.gz FPNWQIJPVDLFDI-SNVBAGLBSA-N 0 0 218.300 2.342 10 0 BEAERN C[C@H](c1ccco1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000082249715 177048438 /nfs/dbraw/zinc/04/84/38/177048438.db2.gz IKQFBOLXUTZYBN-ZJUUUORDSA-N 0 0 223.272 2.137 10 0 BEAERN C[C@H](c1ccco1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000082249684 177048552 /nfs/dbraw/zinc/04/85/52/177048552.db2.gz IICQAJHHVLYTTL-NXEZZACHSA-N 0 0 223.272 2.280 10 0 BEAERN C[C@@H]1CC(=O)[C@H](C)N(Cc2ccccc2)C1 ZINC000068592974 177057071 /nfs/dbraw/zinc/05/70/71/177057071.db2.gz FABAJOBMSRCVJN-NEPJUHHUSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1C(=O)NCc2cc(Br)ccc21 ZINC000222938742 177060720 /nfs/dbraw/zinc/06/07/20/177060720.db2.gz JYQWNOYEAWZUDJ-ZCFIWIBFSA-N 0 0 240.100 2.182 10 0 BEAERN C[C@H]1CC(Nc2ccccn2)C[C@H](C)O1 ZINC000301980140 177066562 /nfs/dbraw/zinc/06/65/62/177066562.db2.gz XNZPHHNAFFJHDZ-UWVGGRQHSA-N 0 0 206.289 2.450 10 0 BEAERN C[C@H]1CCCCN1c1nnc(C2CCC2)n1C ZINC000336426009 177078582 /nfs/dbraw/zinc/07/85/82/177078582.db2.gz KABIMKKOVMRUOJ-JTQLQIEISA-N 0 0 234.347 2.461 10 0 BEAERN C[C@H]1CCCC[C@@H]1OC(=O)c1cncc(N)c1 ZINC000062947457 177083720 /nfs/dbraw/zinc/08/37/20/177083720.db2.gz QJNVVZWVDNYAPK-CABZTGNLSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@H]1CCCC[C@H]1OC(=O)C1([NH3+])CCCC1 ZINC000048633466 177089220 /nfs/dbraw/zinc/08/92/20/177089220.db2.gz WREUVQMIXRTCTA-WDEREUQCSA-N 0 0 225.332 2.380 10 0 BEAERN C[C@H]1CCCC[C@H]1OC(=O)c1cncc(N)c1 ZINC000062947459 177089579 /nfs/dbraw/zinc/08/95/79/177089579.db2.gz QJNVVZWVDNYAPK-JOYOIKCWSA-N 0 0 234.299 2.399 10 0 BEAERN C[C@H]1CCCN(C(=O)c2sccc2N)C1 ZINC000040292480 177096481 /nfs/dbraw/zinc/09/64/81/177096481.db2.gz DDEKUUWXQNXFMG-QMMMGPOBSA-N 0 0 224.329 2.202 10 0 BEAERN C[C@H]1CCC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182893 177104254 /nfs/dbraw/zinc/10/42/54/177104254.db2.gz RSDUOPSSOFBCBW-JTQLQIEISA-N 0 0 234.299 2.012 10 0 BEAERN C[C@H]1CCCN1C(=O)N[C@@H]1COc2ccccc21 ZINC000176042299 177106932 /nfs/dbraw/zinc/10/69/32/177106932.db2.gz QHSJLHXBMWPKDX-CMPLNLGQSA-N 0 0 246.310 2.314 10 0 BEAERN C[C@H]1CCC[C@H]([N@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859729 177133916 /nfs/dbraw/zinc/13/39/16/177133916.db2.gz JYMDVABOMXLBFM-UHDIHKPFSA-N 0 0 211.305 2.138 10 0 BEAERN C[C@H]1CCC[C@H](Nc2ncc(N)cn2)C1 ZINC000040455627 177138481 /nfs/dbraw/zinc/13/84/81/177138481.db2.gz BFYGCAVHOXTVAY-WPRPVWTQSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@H]1CCC[C@H]1NC(=O)c1ccc(N)cc1F ZINC000071205321 177142234 /nfs/dbraw/zinc/14/22/34/177142234.db2.gz UDAWWBSJNQEEMT-QPUJVOFHSA-N 0 0 236.290 2.326 10 0 BEAERN C[C@H]1CCC[C@H]1Nc1ccc(C(N)=O)cc1 ZINC000083389661 177142580 /nfs/dbraw/zinc/14/25/80/177142580.db2.gz PLRGWIXWKZOFHU-JOYOIKCWSA-N 0 0 218.300 2.386 10 0 BEAERN C[C@H]1CCC[C@H]1Nc1nccnc1N(C)C ZINC000302179674 177142996 /nfs/dbraw/zinc/14/29/96/177142996.db2.gz DNASUYNLRDIIRE-VHSXEESVSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@H]1CCN(C(=O)Nc2cccc(N)c2)C1 ZINC000040725390 177151532 /nfs/dbraw/zinc/15/15/32/177151532.db2.gz FRVSDORYKYVREW-VIFPVBQESA-N 0 0 219.288 2.143 10 0 BEAERN C[C@H]1CCSc2c(Cl)nc(N)nc21 ZINC000075625835 177179909 /nfs/dbraw/zinc/17/99/09/177179909.db2.gz GTZVYRKRWAHAFP-BYPYZUCNSA-N 0 0 215.709 2.312 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2)O1 ZINC000121705349 177182110 /nfs/dbraw/zinc/18/21/10/177182110.db2.gz TWBHXLCOGBECND-ONGXEEELSA-N 0 0 205.257 2.193 10 0 BEAERN C[C@H]1CC[C@@H](Cc2nc(-c3ncon3)no2)C1 ZINC000329588042 177191119 /nfs/dbraw/zinc/19/11/19/177191119.db2.gz MXTSNULWCQGXBO-JGVFFNPUSA-N 0 0 234.259 2.098 10 0 BEAERN C[C@H]1CC[C@H](C)N(C(=O)NCCCF)C1 ZINC000123699185 177198445 /nfs/dbraw/zinc/19/84/45/177198445.db2.gz BFWDARGRMZKFQC-UWVGGRQHSA-N 0 0 216.300 2.176 10 0 BEAERN C[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CCS1 ZINC000171576320 177223438 /nfs/dbraw/zinc/22/34/38/177223438.db2.gz ATOZQERHNXCWOP-WDEREUQCSA-N 0 0 225.357 2.307 10 0 BEAERN C[C@H]1CN(C(=O)c2cccs2)CCS1 ZINC000122498535 177229138 /nfs/dbraw/zinc/22/91/38/177229138.db2.gz CDUXTGUISZFEQN-QMMMGPOBSA-N 0 0 227.354 2.326 10 0 BEAERN C[C@H](CN1CCO[C@@H](C)C1)C(=O)c1ccccc1 ZINC000053934871 177256322 /nfs/dbraw/zinc/25/63/22/177256322.db2.gz BXHYRWDFAVOVNL-OLZOCXBDSA-N 0 0 247.338 2.226 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1Cc1c(N)cccc1F ZINC000104056482 177260149 /nfs/dbraw/zinc/26/01/49/177260149.db2.gz JNDAFNBZXKFKCR-ZJUUUORDSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@H]1CN(Cc2cc(Br)no2)[C@H]1C ZINC000293001714 177260153 /nfs/dbraw/zinc/26/01/53/177260153.db2.gz NCKPVTNFUZGPHD-BQBZGAKWSA-N 0 0 245.120 2.277 10 0 BEAERN C[C@H]1COCC[C@@H](OC2CCCC2)O1 ZINC000219245795 177293696 /nfs/dbraw/zinc/29/36/96/177293696.db2.gz CECOTKSWIUWQHF-GXSJLCMTSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1cccc(F)c1 ZINC000040634503 177298665 /nfs/dbraw/zinc/29/86/65/177298665.db2.gz QZSWVXQUDXUUGZ-UWVGGRQHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1cccc(F)c1 ZINC000077370245 177298910 /nfs/dbraw/zinc/29/89/10/177298910.db2.gz RZCYPPDCEHXEMR-PHIMTYICSA-N 0 0 223.291 2.435 10 0 BEAERN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182872 177315345 /nfs/dbraw/zinc/31/53/45/177315345.db2.gz SKRRLCRUOIEQSA-PHIMTYICSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CC(=O)[O-] ZINC000363259646 177339229 /nfs/dbraw/zinc/33/92/29/177339229.db2.gz PSIFWVVGJXWGNP-WCBMZHEXSA-N 0 0 225.313 2.011 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)N(Cc1ccccc1N)C1CC1 ZINC000035081168 177340426 /nfs/dbraw/zinc/34/04/26/177340426.db2.gz JNJUESBERXVTND-GWCFXTLKSA-N 0 0 244.338 2.416 10 0 BEAERN C[C@H]1C[C@@H]1C[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000104414006 177342912 /nfs/dbraw/zinc/34/29/12/177342912.db2.gz FEDGUVHBSDDSSN-DTWKUNHWSA-N 0 0 234.299 2.059 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000115360713 177346120 /nfs/dbraw/zinc/34/61/20/177346120.db2.gz FHWOKMVEWXIFSM-CABZTGNLSA-N 0 0 233.286 2.382 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1cccc(F)c1F ZINC000075510139 177346420 /nfs/dbraw/zinc/34/64/20/177346420.db2.gz BNSPCZRRBXWQBZ-KWQFWETISA-N 0 0 239.265 2.422 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCOc1ccccc1F ZINC000075521906 177346734 /nfs/dbraw/zinc/34/67/34/177346734.db2.gz FWRLJFQIJXHLTG-ONGXEEELSA-N 0 0 237.274 2.119 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCc2sccc2C1 ZINC000170807880 177346977 /nfs/dbraw/zinc/34/69/77/177346977.db2.gz ZMUHBVFHTCBCJQ-WPRPVWTQSA-N 0 0 236.340 2.224 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1cccc(F)c1 ZINC000170809170 177347397 /nfs/dbraw/zinc/34/73/97/177347397.db2.gz GPWXHELVIYIZFI-CABZTGNLSA-N 0 0 236.290 2.376 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000075528127 177347433 /nfs/dbraw/zinc/34/74/33/177347433.db2.gz HDLFHAUDHKFKMK-KWQFWETISA-N 0 0 223.703 2.407 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N(C)CCOc1ccccc1 ZINC000075982503 177347474 /nfs/dbraw/zinc/34/74/74/177347474.db2.gz YQVNHSVOVIXAJZ-AAEUAGOBSA-N 0 0 248.326 2.115 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(N(C)C)cc1 ZINC000076032884 177348396 /nfs/dbraw/zinc/34/83/96/177348396.db2.gz BUPVJBJPENNNRD-CABZTGNLSA-N 0 0 233.315 2.283 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1F ZINC000171066869 177348684 /nfs/dbraw/zinc/34/86/84/177348684.db2.gz CHMUCMLWWDMUAG-WKEGUHRASA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)cc1O ZINC000052293390 177348712 /nfs/dbraw/zinc/34/87/12/177348712.db2.gz KGFPQPBNTDKRNX-RCOVLWMOSA-N 0 0 225.675 2.184 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccoc1Br ZINC000193320258 177349068 /nfs/dbraw/zinc/34/90/68/177349068.db2.gz HSTPWDZPHKHSAE-FSPLSTOPSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000052293000 177349338 /nfs/dbraw/zinc/34/93/38/177349338.db2.gz PSZNALWWUSBGFM-WDSKDSINSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nnc(C(F)F)s1 ZINC000307327209 177350641 /nfs/dbraw/zinc/35/06/41/177350641.db2.gz ISHHLTRTZHKLOD-IMJSIDKUSA-N 0 0 205.233 2.296 10 0 BEAERN C[C@H]1C[C@H](C)CN(C(=O)c2sccc2N)C1 ZINC000040294777 177357425 /nfs/dbraw/zinc/35/74/25/177357425.db2.gz WWQABCORTVNMBP-IUCAKERBSA-N 0 0 238.356 2.448 10 0 BEAERN C[C@H]1C[C@H]1N=c1[nH]c2c(cccc2F)o1 ZINC000336754566 177382465 /nfs/dbraw/zinc/38/24/65/177382465.db2.gz IHUFQLUVLFYSOC-POYBYMJQSA-N 0 0 206.220 2.209 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCCOc1ccccc1 ZINC000171066541 177382583 /nfs/dbraw/zinc/38/25/83/177382583.db2.gz HBYJULVYEOBBNQ-WCQYABFASA-N 0 0 233.311 2.370 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1ccc(F)cc1F ZINC000123377931 177382700 /nfs/dbraw/zinc/38/27/00/177382700.db2.gz BKZIGRIZPMLNGT-QPUJVOFHSA-N 0 0 239.265 2.422 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCc2cccc(F)c2C1 ZINC000158467883 177383648 /nfs/dbraw/zinc/38/36/48/177383648.db2.gz KJCHEIXXHSVWPT-TVQRCGJNSA-N 0 0 248.301 2.302 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1Cc2ccccc2C1 ZINC000106270463 177383685 /nfs/dbraw/zinc/38/36/85/177383685.db2.gz HRVSSLDUQSZZPP-JOYOIKCWSA-N 0 0 216.284 2.120 10 0 BEAERN C[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1cccs1 ZINC000158573256 177384428 /nfs/dbraw/zinc/38/44/28/177384428.db2.gz CDAYJSADSGORKT-XHNCKOQMSA-N 0 0 209.314 2.376 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000171074496 177384636 /nfs/dbraw/zinc/38/46/36/177384636.db2.gz MPKKWPNAUSIOTB-TVQRCGJNSA-N 0 0 215.296 2.314 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2ncsc2c1 ZINC000171066587 177384703 /nfs/dbraw/zinc/38/47/03/177384703.db2.gz OEYVPMZMFVSTCG-OIBJUYFYSA-N 0 0 232.308 2.435 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000075514474 177384974 /nfs/dbraw/zinc/38/49/74/177384974.db2.gz IUNJXJYEQYUWLB-GXFFZTMASA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000158573855 177385711 /nfs/dbraw/zinc/38/57/11/177385711.db2.gz IRRUBUPSIITKNY-GXSJLCMTSA-N 0 0 242.278 2.480 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCCc1ccccc1 ZINC000190229839 177397619 /nfs/dbraw/zinc/39/76/19/177397619.db2.gz PYLQAFXFUOKJBJ-OCCSQVGLSA-N 0 0 247.338 2.160 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1 ZINC000190223073 177397653 /nfs/dbraw/zinc/39/76/53/177397653.db2.gz RYBPFJQQMQTOPG-DGCLKSJQSA-N 0 0 233.311 2.118 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nnc(C(F)F)s1 ZINC000270750419 177402927 /nfs/dbraw/zinc/40/29/27/177402927.db2.gz JSPKSBIJIXDRMG-UHNVWZDZSA-N 0 0 235.259 2.065 10 0 BEAERN Cc1c(-c2cccc(N)c2)sc2ncnn12 ZINC000097758294 177551759 /nfs/dbraw/zinc/55/17/59/177551759.db2.gz UMLGZWFSMPAYLS-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccc(F)c(F)c1 ZINC000034976143 177551872 /nfs/dbraw/zinc/55/18/72/177551872.db2.gz HVKTVNSLTDAKNK-UHFFFAOYSA-N 0 0 223.226 2.256 10 0 BEAERN Cc1c(N)cccc1C(=O)NCCC(C)C ZINC000019404278 177612723 /nfs/dbraw/zinc/61/27/23/177612723.db2.gz GYKTUNDLPBXGAB-UHFFFAOYSA-N 0 0 220.316 2.353 10 0 BEAERN Cc1c(N)cccc1NC(=O)c1cscn1 ZINC000062353294 177614059 /nfs/dbraw/zinc/61/40/59/177614059.db2.gz WCHPRMWGHGFZNP-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1c(N)cccc1Oc1cnccn1 ZINC000035283298 177615212 /nfs/dbraw/zinc/61/52/12/177615212.db2.gz YHHDNSLJQJFYLX-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1c(NC2CCC2)cccc1C(N)=O ZINC000044481129 177617838 /nfs/dbraw/zinc/61/78/38/177617838.db2.gz FPPHCRWYQUWAJR-UHFFFAOYSA-N 0 0 204.273 2.058 10 0 BEAERN Cc1ccnc(NC[C@@H]2CCO[C@@H]2C(C)C)n1 ZINC000487684221 225321364 /nfs/dbraw/zinc/32/13/64/225321364.db2.gz GKWASTPTKHRJQA-NWDGAFQWSA-N 0 0 235.331 2.258 10 0 BEAERN Cc1ccnc(NC[C@@H]2CCO[C@H]2C(C)C)n1 ZINC000487684223 225321749 /nfs/dbraw/zinc/32/17/49/225321749.db2.gz GKWASTPTKHRJQA-RYUDHWBXSA-N 0 0 235.331 2.258 10 0 BEAERN c1cn(C2CCOCC2)c2cnccc12 ZINC000498050819 226330385 /nfs/dbraw/zinc/33/03/85/226330385.db2.gz VBZJZVVILJBJRS-UHFFFAOYSA-N 0 0 202.257 2.388 10 0 BEAERN CCC1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000674917230 487654662 /nfs/dbraw/zinc/65/46/62/487654662.db2.gz DHUKWYJLQWSQMV-NEPJUHHUSA-N 0 0 239.359 2.377 10 0 BEAERN CC(C)[C@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000203287892 583966936 /nfs/dbraw/zinc/96/69/36/583966936.db2.gz BNOQFAHMVRLXEF-JGVFFNPUSA-N 0 0 218.243 2.462 10 0 BEAERN C[C@H](CCCCO)NC(=O)[C@@H]1CCC[C@H]1C ZINC000398425339 262761253 /nfs/dbraw/zinc/76/12/53/262761253.db2.gz KRRBMOVFZOBKJW-IJLUTSLNSA-N 0 0 227.348 2.090 10 0 BEAERN COC[C@H](C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000174593303 229387548 /nfs/dbraw/zinc/38/75/48/229387548.db2.gz OPHZRWJGTNUBDT-RYUDHWBXSA-N 0 0 227.348 2.164 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CCC[C@@H](O)C2)cs1 ZINC000671659270 487676226 /nfs/dbraw/zinc/67/62/26/487676226.db2.gz DUBKXOUVVYDKED-WDEREUQCSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1cccc(-n2[n-]c3c(c2=O)CCC3)c1 ZINC000104707277 487713097 /nfs/dbraw/zinc/71/30/97/487713097.db2.gz UTNUGKKEQCEOOG-LLVKDONJSA-N 0 0 214.268 2.498 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@H](CCO)C1 ZINC000665698719 487732688 /nfs/dbraw/zinc/73/26/88/487732688.db2.gz LDAWXAASNRMGEP-GFCCVEGCSA-N 0 0 249.358 2.199 10 0 BEAERN CC1(C)CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250796850 487740787 /nfs/dbraw/zinc/74/07/87/487740787.db2.gz MESCZTGFDQTBLD-JGPRNRPPSA-N 0 0 207.317 2.434 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1sc2ncccc2c1N ZINC000088643055 487742616 /nfs/dbraw/zinc/74/26/16/487742616.db2.gz AMCQBNFSFMLSFC-SVRRBLITSA-N 0 0 247.323 2.017 10 0 BEAERN CCOc1cc(CC(C)=O)ccc1OC ZINC000058002703 487749942 /nfs/dbraw/zinc/74/99/42/487749942.db2.gz MXRMBFXHCIISDM-UHFFFAOYSA-N 0 0 208.257 2.225 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251720888 487793050 /nfs/dbraw/zinc/79/30/50/487793050.db2.gz JYHYYZGDWURYMS-UJPOAAIJSA-N 0 0 237.343 2.058 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1cc(C(C)(C)C)ncn1 ZINC000310361227 487801376 /nfs/dbraw/zinc/80/13/76/487801376.db2.gz KIAWXAKVGSJTGM-ZJUUUORDSA-N 0 0 235.331 2.363 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000496496167 527823329 /nfs/dbraw/zinc/82/33/29/527823329.db2.gz KAXHRHWPDFSVHY-SECBINFHSA-N 0 0 215.293 2.079 10 0 BEAERN COCc1csc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000668088992 487832489 /nfs/dbraw/zinc/83/24/89/487832489.db2.gz KTWXEGIKCVYRBZ-IONNQARKSA-N 0 0 225.313 2.033 10 0 BEAERN CCc1ccccc1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000676334628 487839355 /nfs/dbraw/zinc/83/93/55/487839355.db2.gz BOTFKCDFZHHMSN-STQMWFEESA-N 0 0 247.338 2.282 10 0 BEAERN C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)C(C)(C)C ZINC000246640308 487926871 /nfs/dbraw/zinc/92/68/71/487926871.db2.gz WZZKVPSLLQSSPV-HBNTYKKESA-N 0 0 242.363 2.288 10 0 BEAERN CCc1nsc(NCc2cccc(N)c2)n1 ZINC000083671264 487927001 /nfs/dbraw/zinc/92/70/01/487927001.db2.gz RFOYITZJEDWKSU-UHFFFAOYSA-N 0 0 234.328 2.295 10 0 BEAERN C/C=C\CSCc1nnnn1C(C)C ZINC000255300785 322922724 /nfs/dbraw/zinc/92/27/24/322922724.db2.gz ANMCLRHZRBRSMJ-PLNGDYQASA-N 0 0 212.322 2.063 10 0 BEAERN CCCC(C)(C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151179695 323012479 /nfs/dbraw/zinc/01/24/79/323012479.db2.gz POVRNCYEOCJEMP-UWVGGRQHSA-N 0 0 213.321 2.249 10 0 BEAERN CC(C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000151702912 323024492 /nfs/dbraw/zinc/02/44/92/323024492.db2.gz AOPWPIKDEXNJLC-SRVKXCTJSA-N 0 0 242.363 2.288 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCC(CCO)CC1 ZINC000400996776 323024857 /nfs/dbraw/zinc/02/48/57/323024857.db2.gz KUEXEYBAXUZKOM-AAEUAGOBSA-N 0 0 239.359 2.044 10 0 BEAERN CSCCCC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000134690528 323025227 /nfs/dbraw/zinc/02/52/27/323025227.db2.gz JIIZRXVLMPPPNQ-JTQLQIEISA-N 0 0 245.388 2.156 10 0 BEAERN CCCS(=O)(=O)N1CCCCC[C@@H]1CC ZINC000134727054 323025381 /nfs/dbraw/zinc/02/53/81/323025381.db2.gz DICBDURISUZDQN-NSHDSACASA-N 0 0 233.377 2.381 10 0 BEAERN C[C@H]1C[C@@H](O)CN(c2nccc3ccccc32)C1 ZINC000401530742 323080119 /nfs/dbraw/zinc/08/01/19/323080119.db2.gz HZBJNBMXQHYEFQ-WCQYABFASA-N 0 0 242.322 2.442 10 0 BEAERN C[C@H]1C[C@H](O)CN(c2nccc3ccccc32)C1 ZINC000401530729 323080202 /nfs/dbraw/zinc/08/02/02/323080202.db2.gz HZBJNBMXQHYEFQ-AAEUAGOBSA-N 0 0 242.322 2.442 10 0 BEAERN CNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000048644980 323154101 /nfs/dbraw/zinc/15/41/01/323154101.db2.gz QIHROVBYPSAKEF-GFCCVEGCSA-N 0 0 230.267 2.298 10 0 BEAERN Cc1occc1C(=O)NCc1cccc(C)n1 ZINC000048736573 323155249 /nfs/dbraw/zinc/15/52/49/323155249.db2.gz JSNJABWDVIZYPH-UHFFFAOYSA-N 0 0 230.267 2.221 10 0 BEAERN CN(CC1CCCC1)C(=O)Nc1nncs1 ZINC000049516889 323161747 /nfs/dbraw/zinc/16/17/47/323161747.db2.gz ASUXRQBCBYJRCR-UHFFFAOYSA-N 0 0 240.332 2.192 10 0 BEAERN COc1cccc([C@@]2(O)CCS[C@H]2C)c1 ZINC000211606501 323195213 /nfs/dbraw/zinc/19/52/13/323195213.db2.gz BKAFOOFQRWELNT-JOYOIKCWSA-N 0 0 224.325 2.408 10 0 BEAERN CSCC(=O)N[C@H](C)CCC(C)C ZINC000042369106 323246768 /nfs/dbraw/zinc/24/67/68/323246768.db2.gz OFSPZYNZLDRIPX-SECBINFHSA-N 0 0 203.351 2.290 10 0 BEAERN CCCn1nccc1NC(=O)N[C@@H](C)CC ZINC000043723124 323298189 /nfs/dbraw/zinc/29/81/89/323298189.db2.gz HSOXGKRLVKPDGN-VIFPVBQESA-N 0 0 224.308 2.213 10 0 BEAERN OCC1CC(Nc2nccc3ccccc32)C1 ZINC000528059062 323754132 /nfs/dbraw/zinc/75/41/32/323754132.db2.gz SXHQRLBPBXYGBB-UHFFFAOYSA-N 0 0 228.295 2.418 10 0 BEAERN CC1CC(C(=O)Nc2cccc(O)c2)C1 ZINC000533359293 323887411 /nfs/dbraw/zinc/88/74/11/323887411.db2.gz OAMXQISICJORQX-UHFFFAOYSA-N 0 0 205.257 2.377 10 0 BEAERN COc1ccc(C(=O)C(F)F)c(OC)c1 ZINC000163959507 323945516 /nfs/dbraw/zinc/94/55/16/323945516.db2.gz NZBQAWUPTFOLOC-UHFFFAOYSA-N 0 0 216.183 2.152 10 0 BEAERN CCn1ccc(C(F)(F)Br)n1 ZINC000536952488 323958759 /nfs/dbraw/zinc/95/87/59/323958759.db2.gz CFSPFKPWXWSHMH-UHFFFAOYSA-N 0 0 225.036 2.347 10 0 BEAERN C[C@@H]1CC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536954303 323962717 /nfs/dbraw/zinc/96/27/17/323962717.db2.gz LTXJIARQZMFLFV-PRHODGIISA-N 0 0 222.288 2.041 10 0 BEAERN CC(C)CN=c1[nH]c2cccnc2s1 ZINC000536957371 323967965 /nfs/dbraw/zinc/96/79/65/323967965.db2.gz CGGOSQGPJDPQDX-UHFFFAOYSA-N 0 0 207.302 2.181 10 0 BEAERN COc1c(N)cccc1COCC(C)C ZINC000536959339 323971048 /nfs/dbraw/zinc/97/10/48/323971048.db2.gz MRHOSLSYEWVUEV-UHFFFAOYSA-N 0 0 209.289 2.450 10 0 BEAERN Nc1nc(OC(F)F)cc2ccccc12 ZINC000536959703 323972196 /nfs/dbraw/zinc/97/21/96/323972196.db2.gz RYQKNYXSPKXLFY-UHFFFAOYSA-N 0 0 210.183 2.249 10 0 BEAERN COC(=O)[C@H]1CCc2ncc(C(C)C)n2CC1 ZINC000536960919 323974348 /nfs/dbraw/zinc/97/43/48/323974348.db2.gz SSDRXKKYXQNHFG-JTQLQIEISA-N 0 0 236.315 2.132 10 0 BEAERN C[C@H]1CN(Cc2nnsc2Cl)CCS1 ZINC000122517366 324047458 /nfs/dbraw/zinc/04/74/58/324047458.db2.gz JOVNAICFQFUZFL-LURJTMIESA-N 0 0 249.792 2.129 10 0 BEAERN CSCCCC(=O)NC1(C)CCC1 ZINC000125337153 324638738 /nfs/dbraw/zinc/63/87/38/324638738.db2.gz HXYOXKBYUPMTCL-UHFFFAOYSA-N 0 0 201.335 2.188 10 0 BEAERN C[C@@H]1CC[C@H](C)[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000302449686 487964600 /nfs/dbraw/zinc/96/46/00/487964600.db2.gz XGVFBNDKLHFNPG-MNOVXSKESA-N 0 0 248.326 2.400 10 0 BEAERN CC(=O)c1ccccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000127786636 324786992 /nfs/dbraw/zinc/78/69/92/324786992.db2.gz CARSREGKXHANTA-TVQRCGJNSA-N 0 0 247.294 2.395 10 0 BEAERN CCc1cc(C)c(C(=O)NCc2ccc[nH]2)o1 ZINC000128375894 324831469 /nfs/dbraw/zinc/83/14/69/324831469.db2.gz MMFKRUWOIVWRDI-UHFFFAOYSA-N 0 0 232.283 2.409 10 0 BEAERN CCc1cc(C)c(C(=O)NCC(F)F)o1 ZINC000129232059 324930767 /nfs/dbraw/zinc/93/07/67/324930767.db2.gz SGKINQDOBFCYDF-UHFFFAOYSA-N 0 0 217.215 2.145 10 0 BEAERN CSC[C@H](C)NC(=O)c1ccc(C)nc1C ZINC000130854508 325094451 /nfs/dbraw/zinc/09/44/51/325094451.db2.gz DUKFNFORBCIRQI-VIFPVBQESA-N 0 0 238.356 2.180 10 0 BEAERN CC(C)OCCC(=O)NCCC1=CCCC1 ZINC000130979530 325105108 /nfs/dbraw/zinc/10/51/08/325105108.db2.gz KQSZINATZAWWEF-UHFFFAOYSA-N 0 0 225.332 2.418 10 0 BEAERN COCCCCC(=O)NCCC1=CCCC1 ZINC000131178700 325123349 /nfs/dbraw/zinc/12/33/49/325123349.db2.gz OIHWCMNBSVRLIG-UHFFFAOYSA-N 0 0 225.332 2.420 10 0 BEAERN CCC(CC)CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000131279949 325133394 /nfs/dbraw/zinc/13/33/94/325133394.db2.gz VJYYMSFIRKDTRP-PHIMTYICSA-N 0 0 227.348 2.449 10 0 BEAERN Cc1nnc([C@H](C)SC2CCOCC2)o1 ZINC000131338075 325138661 /nfs/dbraw/zinc/13/86/61/325138661.db2.gz JHZHKBKRQKBHQK-ZETCQYMHSA-N 0 0 228.317 2.351 10 0 BEAERN C[C@@H](NC(=O)CC1CCCCCC1)[C@H](C)CO ZINC000131371099 325143553 /nfs/dbraw/zinc/14/35/53/325143553.db2.gz QQDBUHNEDHBZPS-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@@H](CO)[C@H](C)NC(=O)CC1CCCCCC1 ZINC000131371316 325143848 /nfs/dbraw/zinc/14/38/48/325143848.db2.gz QQDBUHNEDHBZPS-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CSCCC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000132298605 325209968 /nfs/dbraw/zinc/20/99/68/325209968.db2.gz SIDUQZSUUFTZSQ-ZJUUUORDSA-N 0 0 215.362 2.244 10 0 BEAERN CSCCC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000132298821 325210175 /nfs/dbraw/zinc/21/01/75/325210175.db2.gz SIDUQZSUUFTZSQ-UWVGGRQHSA-N 0 0 215.362 2.244 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000133210962 325277666 /nfs/dbraw/zinc/27/76/66/325277666.db2.gz AIVZEZDVCFSZRR-XCBNKYQSSA-N 0 0 238.287 2.051 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(F)cc2)O1 ZINC000133571333 325301127 /nfs/dbraw/zinc/30/11/27/325301127.db2.gz RUESQPIMOZOVDP-SKDRFNHKSA-N 0 0 237.274 2.356 10 0 BEAERN CCN(CC1CC1)C(=O)[C@H](C)C1CCOCC1 ZINC000133752931 325316222 /nfs/dbraw/zinc/31/62/22/325316222.db2.gz DJELGCSGPTXZKT-LLVKDONJSA-N 0 0 239.359 2.308 10 0 BEAERN CS[C@@H](C)CNC(=O)N1CCCC1(C)C ZINC000133877827 325326271 /nfs/dbraw/zinc/32/62/71/325326271.db2.gz IAXXNRJBHLOOFP-VIFPVBQESA-N 0 0 230.377 2.322 10 0 BEAERN C[C@H]1CC(=O)CC[C@H]1C(=O)NCC1(C)CCC1 ZINC000133891443 325327047 /nfs/dbraw/zinc/32/70/47/325327047.db2.gz WZRISYDLYCRFGK-CMPLNLGQSA-N 0 0 237.343 2.298 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)COC ZINC000133978001 325335404 /nfs/dbraw/zinc/33/54/04/325335404.db2.gz IXDTYVFBDJOWNS-SNVBAGLBSA-N 0 0 213.321 2.060 10 0 BEAERN COc1cccc(F)c1[C@@H](C)NCc1ncc[nH]1 ZINC000134773420 325376109 /nfs/dbraw/zinc/37/61/09/325376109.db2.gz XWSNYMSFGAGLCV-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN CCc1cc(C)c(C(=O)NCC(F)(F)F)o1 ZINC000134867605 325380054 /nfs/dbraw/zinc/38/00/54/325380054.db2.gz ZRKQSQDLDCNXSW-UHFFFAOYSA-N 0 0 235.205 2.443 10 0 BEAERN CCc1cnc(NCc2cncnc2)s1 ZINC000134993184 325387086 /nfs/dbraw/zinc/38/70/86/325387086.db2.gz QDVLUCCNKJWYGY-UHFFFAOYSA-N 0 0 220.301 2.108 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)c2ccnnc2)[C@H]1C ZINC000245660733 325521082 /nfs/dbraw/zinc/52/10/82/325521082.db2.gz MYPDODLGAVICNO-JFGNBEQYSA-N 0 0 233.315 2.031 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cccs1 ZINC000246039061 325539265 /nfs/dbraw/zinc/53/92/65/325539265.db2.gz OUCVSGFAVMBUPY-OPRDCNLKSA-N 0 0 239.340 2.493 10 0 BEAERN CC[C@H](C(=O)NCC1CC(O)C1)c1ccccc1 ZINC000091524445 325687255 /nfs/dbraw/zinc/68/72/55/325687255.db2.gz DROLWGKKVQWIOD-UBHUBRDASA-N 0 0 247.338 2.067 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC/C=C\c2ccccc2)O1 ZINC000254915377 325776344 /nfs/dbraw/zinc/77/63/44/325776344.db2.gz SRYHZUKKWZQDEZ-GPTAZTBJSA-N 0 0 245.322 2.384 10 0 BEAERN CCCC[C@@H](CC)COC(=O)[C@@H]1CO1 ZINC000060121535 487970413 /nfs/dbraw/zinc/97/04/13/487970413.db2.gz CRHQOSXUXQSUQY-ZJUUUORDSA-N 0 0 200.278 2.145 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCC2(C)CCCC2)O1 ZINC000153562262 326102573 /nfs/dbraw/zinc/10/25/73/326102573.db2.gz VSGBCUZMMWGVGB-QWRGUYRKSA-N 0 0 225.332 2.250 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000153918723 326119501 /nfs/dbraw/zinc/11/95/01/326119501.db2.gz WLZYLBJQBROVQX-DCAQKATOSA-N 0 0 213.321 2.058 10 0 BEAERN CCCC1(CNC(=O)[C@H](C)COC)CCC1 ZINC000157288214 326265893 /nfs/dbraw/zinc/26/58/93/326265893.db2.gz OZVYPGAJBFZIIM-LLVKDONJSA-N 0 0 227.348 2.356 10 0 BEAERN CCc1ncsc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000157604909 326286151 /nfs/dbraw/zinc/28/61/51/326286151.db2.gz HCVILACRZCTOFR-APPZFPTMSA-N 0 0 240.328 2.212 10 0 BEAERN Fc1ccccc1NCCOC1CCOCC1 ZINC000053590877 488001003 /nfs/dbraw/zinc/00/10/03/488001003.db2.gz UTFWQWRPCYVSDE-UHFFFAOYSA-N 0 0 239.290 2.433 10 0 BEAERN CCC(C)(CC)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000134979921 488008009 /nfs/dbraw/zinc/00/80/09/488008009.db2.gz PHBZAICZUWAHFA-MNOVXSKESA-N 0 0 227.348 2.232 10 0 BEAERN CCCC[C@@H]1CC(=O)[C@H]2OC(C)(C)O[C@@H]12 ZINC000584659151 488021072 /nfs/dbraw/zinc/02/10/72/488021072.db2.gz ZCUPYQMYEVHQJS-DVVUODLYSA-N 0 0 212.289 2.286 10 0 BEAERN Cn1ncnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000091536512 488055338 /nfs/dbraw/zinc/05/53/38/488055338.db2.gz MUYNKUBRBLNLQT-UHFFFAOYSA-N 0 0 243.245 2.011 10 0 BEAERN CCc1nc(C)cc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000672167027 488098749 /nfs/dbraw/zinc/09/87/49/488098749.db2.gz CVKJPSKVELTSRC-MNOVXSKESA-N 0 0 235.331 2.063 10 0 BEAERN CCCn1nccc1CN[C@@H](C)c1ncc(C)o1 ZINC000231740510 487472284 /nfs/dbraw/zinc/47/22/84/487472284.db2.gz SDPUOSZPUHPBEJ-NSHDSACASA-N 0 0 248.330 2.440 10 0 BEAERN Cc1cnc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000231740384 487472564 /nfs/dbraw/zinc/47/25/64/487472564.db2.gz CFEFUFSYDDKCEY-DLOVCJGASA-N 0 0 237.347 2.116 10 0 BEAERN CC1(C)C(C(=O)N[C@@H]2CCC[C@@H](O)C2)C1(C)C ZINC000673903535 487473520 /nfs/dbraw/zinc/47/35/20/487473520.db2.gz FKTRWEJTOABIMQ-NXEZZACHSA-N 0 0 239.359 2.088 10 0 BEAERN O=C(N[C@@H]1CCC[C@H](O)C1)C1CCCCCC1 ZINC000673907694 487475525 /nfs/dbraw/zinc/47/55/25/487475525.db2.gz MMSMJSOAHUXPGA-OLZOCXBDSA-N 0 0 239.359 2.377 10 0 BEAERN CC(C)(C)c1cc(NCC[C@@H]2CCCO2)ncn1 ZINC000381561078 487512072 /nfs/dbraw/zinc/51/20/72/487512072.db2.gz NEATTXVCPXJMKM-NSHDSACASA-N 0 0 249.358 2.177 10 0 BEAERN CC(C)[C@@H](C)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000086573501 487519532 /nfs/dbraw/zinc/51/95/32/487519532.db2.gz QATNVRUJXMFZKD-SNVBAGLBSA-N 0 0 213.321 2.218 10 0 BEAERN O=c1oc2ccc(O)cc2n1Cc1ccccc1 ZINC000064744317 488001276 /nfs/dbraw/zinc/00/12/76/488001276.db2.gz ZRWQIARLRGDXQG-UHFFFAOYSA-N 0 0 241.246 2.348 10 0 BEAERN O[C@H]1CCC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000677807367 488127443 /nfs/dbraw/zinc/12/74/43/488127443.db2.gz IERHYXDTVYSLEH-UWVGGRQHSA-N 0 0 231.299 2.278 10 0 BEAERN Cc1csc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000077103007 488151494 /nfs/dbraw/zinc/15/14/94/488151494.db2.gz KMBBFQSQCHRCMA-NXEZZACHSA-N 0 0 239.340 2.090 10 0 BEAERN Cc1ccncc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667912289 488154748 /nfs/dbraw/zinc/15/47/48/488154748.db2.gz CXVZTHFSKMFAAX-WCQYABFASA-N 0 0 218.300 2.369 10 0 BEAERN Cc1cnc([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)o1 ZINC000667949528 488166005 /nfs/dbraw/zinc/16/60/05/488166005.db2.gz IIPYRGPTYSADLI-MVWJERBFSA-N 0 0 236.315 2.201 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000404598844 488170424 /nfs/dbraw/zinc/17/04/24/488170424.db2.gz UMNAGYHKWCFBKO-ZYHUDNBSSA-N 0 0 247.342 2.121 10 0 BEAERN O=C1CCc2c1cccc2OCc1ccno1 ZINC000059798700 488170972 /nfs/dbraw/zinc/17/09/72/488170972.db2.gz NKNXFSPTRVOTNB-UHFFFAOYSA-N 0 0 229.235 2.383 10 0 BEAERN O[C@H]1CCC[C@@H](Cn2cnc3c2CCCC3)C1 ZINC000380116708 488173217 /nfs/dbraw/zinc/17/32/17/488173217.db2.gz AXHKVTDVFVRBCD-NEPJUHHUSA-N 0 0 234.343 2.313 10 0 BEAERN C[C@@H](NC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000053909248 488173521 /nfs/dbraw/zinc/17/35/21/488173521.db2.gz KTIDXDSAZHQSTE-SSDOTTSWSA-N 0 0 228.242 2.297 10 0 BEAERN Cc1ccc2c(c1)[C@H](O)c1cccnc1CO2 ZINC000167433351 488194459 /nfs/dbraw/zinc/19/44/59/488194459.db2.gz WZTRQSMHRONCDP-CQSZACIVSA-N 0 0 227.263 2.364 10 0 BEAERN CC(C)CC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000019405785 488228553 /nfs/dbraw/zinc/22/85/53/488228553.db2.gz OLIQRGOGJLSLIS-LBPRGKRZSA-N 0 0 232.327 2.186 10 0 BEAERN CCOC(=O)[C@H]1Oc2ccccc2OC1(C)C ZINC000584615499 490176465 /nfs/dbraw/zinc/17/64/65/490176465.db2.gz YFAUNJFEMJDXIV-LLVKDONJSA-N 0 0 236.267 2.168 10 0 BEAERN CC(=O)c1cccc(-n2nc(C)cc2C)n1 ZINC000584639567 490181770 /nfs/dbraw/zinc/18/17/70/490181770.db2.gz HJCOGGQWCFUHHR-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)O1 ZINC000246071792 490202673 /nfs/dbraw/zinc/20/26/73/490202673.db2.gz SEFILMHQPJMJOX-DDHJBXDOSA-N 0 0 225.332 2.249 10 0 BEAERN Fc1c(Br)cccc1OC[C@H]1CO1 ZINC000066309359 490248055 /nfs/dbraw/zinc/24/80/55/490248055.db2.gz ALUKSHASDNTFSH-ZCFIWIBFSA-N 0 0 247.063 2.366 10 0 BEAERN O=Cc1ccc(Oc2cncnc2)cc1 ZINC000083252067 490251397 /nfs/dbraw/zinc/25/13/97/490251397.db2.gz UFMGPLUKYBMTMX-UHFFFAOYSA-N 0 0 200.197 2.081 10 0 BEAERN CCC[C@H](O)CNc1ncnc2c1CCCCC2 ZINC000123799095 490260380 /nfs/dbraw/zinc/26/03/80/490260380.db2.gz BCOLCSXSHFESIP-NSHDSACASA-N 0 0 249.358 2.318 10 0 BEAERN C[C@@H](c1cccc(O)c1)N(C)Cc1cncnc1 ZINC000123984663 490271312 /nfs/dbraw/zinc/27/13/12/490271312.db2.gz PEWGARQYWKWIEP-NSHDSACASA-N 0 0 243.310 2.375 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccoc1CO ZINC000261507216 490271950 /nfs/dbraw/zinc/27/19/50/490271950.db2.gz GMOZNYYFJCGDQI-UHFFFAOYSA-N 0 0 213.233 2.119 10 0 BEAERN OCCCc1cccc(N[C@@H]2CCCOC2)c1 ZINC000136254072 491054988 /nfs/dbraw/zinc/05/49/88/491054988.db2.gz PYUNRNAETNPUHH-CQSZACIVSA-N 0 0 235.327 2.202 10 0 BEAERN CCN(C[C@H](C)CO)c1ccc(F)cc1 ZINC000121322615 491102551 /nfs/dbraw/zinc/10/25/51/491102551.db2.gz AISZROYNOXPEGH-JTQLQIEISA-N 0 0 211.280 2.280 10 0 BEAERN Cc1cc(C(C)C)nc(N(C)CC[C@@H](C)O)n1 ZINC000135625698 491121194 /nfs/dbraw/zinc/12/11/94/491121194.db2.gz GNAHPQOJTWVLLX-LLVKDONJSA-N 0 0 237.347 2.116 10 0 BEAERN Cc1ccsc1C(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000399235965 491123429 /nfs/dbraw/zinc/12/34/29/491123429.db2.gz HICPXHCTHDQGGB-UWVGGRQHSA-N 0 0 239.340 2.042 10 0 BEAERN Cc1cc(C(C)C)nc(N2C[C@@H](C)C[C@H](O)C2)n1 ZINC000401539368 491128127 /nfs/dbraw/zinc/12/81/27/491128127.db2.gz MCXSBEJIQUCEDV-JQWIXIFHSA-N 0 0 249.358 2.116 10 0 BEAERN Cc1cc(C(C)C)nc(N2C[C@H](C)C[C@H](O)C2)n1 ZINC000401539374 491128167 /nfs/dbraw/zinc/12/81/67/491128167.db2.gz MCXSBEJIQUCEDV-PWSUYJOCSA-N 0 0 249.358 2.116 10 0 BEAERN CCN(CCc1nccs1)C(=O)[C@H]1C[C@H]1C ZINC000131859090 491133523 /nfs/dbraw/zinc/13/35/23/491133523.db2.gz WZOSNEOWUOHSDJ-ZJUUUORDSA-N 0 0 238.356 2.190 10 0 BEAERN CCC1(NC(=O)[C@@H]2CCCCO2)CCC1 ZINC000132220312 491134759 /nfs/dbraw/zinc/13/47/59/491134759.db2.gz GMPCIZJTTJQHSI-JTQLQIEISA-N 0 0 211.305 2.004 10 0 BEAERN COc1ccc(C)nc1N[C@@H](C)[C@H](C)OC ZINC000134307575 491162987 /nfs/dbraw/zinc/16/29/87/491162987.db2.gz UJHDYICSDWMWMT-UWVGGRQHSA-N 0 0 224.304 2.234 10 0 BEAERN Cc1nc(-c2c(N)sc(C)c2C)n(C)n1 ZINC000104854052 582459486 /nfs/dbraw/zinc/45/94/86/582459486.db2.gz RRUUUTUBEKRLGQ-UHFFFAOYSA-N 0 0 222.317 2.051 10 0 BEAERN C[C@H]1CCC[C@@]2(C1)NCC(F)(F)CO2 ZINC000757150312 582534871 /nfs/dbraw/zinc/53/48/71/582534871.db2.gz PKYKJBHZHGJQHR-WCBMZHEXSA-N 0 0 205.248 2.148 10 0 BEAERN C[C@@H]1O[C@@]2(CCCSC2)[NH2+]CC1(C)C ZINC000757153516 582538124 /nfs/dbraw/zinc/53/81/24/582538124.db2.gz XEXVTGXWDPFJOA-GXSJLCMTSA-N 0 0 215.362 2.244 10 0 BEAERN CCC[C@H]1CC[NH2+][C@]2(COC(C)(C)C2)O1 ZINC000757153861 582538076 /nfs/dbraw/zinc/53/80/76/582538076.db2.gz YDKKUUNLANPEIC-JQWIXIFHSA-N 0 0 213.321 2.060 10 0 BEAERN C[C@H](C1CCOCC1)n1ncc(Cl)c1N ZINC000757164814 582546323 /nfs/dbraw/zinc/54/63/23/582546323.db2.gz BJJIZXCISRXQEJ-SSDOTTSWSA-N 0 0 229.711 2.106 10 0 BEAERN COC[C@H](O)CSCc1ccc(Cl)o1 ZINC000757164381 582545757 /nfs/dbraw/zinc/54/57/57/582545757.db2.gz FQIABZCFFIUVFR-ZETCQYMHSA-N 0 0 236.720 2.174 10 0 BEAERN COCC(=O)CSCc1occc1C ZINC000757167282 582548711 /nfs/dbraw/zinc/54/87/11/582548711.db2.gz UHWUYNSOMJYRKT-UHFFFAOYSA-N 0 0 214.286 2.037 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C12CCCC2 ZINC000757169101 582549167 /nfs/dbraw/zinc/54/91/67/582549167.db2.gz WXOJCDWRQAYWJJ-VHSXEESVSA-N 0 0 241.331 2.205 10 0 BEAERN CCC[C@@]1(C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O ZINC000757168628 582549639 /nfs/dbraw/zinc/54/96/39/582549639.db2.gz JMRNEENAZKDKBE-NRUUGDAUSA-N 0 0 243.347 2.451 10 0 BEAERN CCOC(=O)/C=C1/CCCC12CCOCC2 ZINC000757190363 582555853 /nfs/dbraw/zinc/55/58/53/582555853.db2.gz KIYDFYVLZIRIGY-KHPPLWFESA-N 0 0 224.300 2.457 10 0 BEAERN CCO[C@H]1CCCN(c2ccccc2CO)C1 ZINC000042423418 535621920 /nfs/dbraw/zinc/62/19/20/535621920.db2.gz DERPHIXOSUVOIW-ZDUSSCGKSA-N 0 0 235.327 2.184 10 0 BEAERN O=C1C[C@H](c2ccc(Cl)cc2F)CN1 ZINC000238595905 582671855 /nfs/dbraw/zinc/67/18/55/582671855.db2.gz PRWJVEJCVPWVQQ-LURJTMIESA-N 0 0 213.639 2.083 10 0 BEAERN O=C1C[C@@H](c2ccc(F)cc2Cl)CN1 ZINC000238599489 582671920 /nfs/dbraw/zinc/67/19/20/582671920.db2.gz MWRJKXNJIDTKBK-ZCFIWIBFSA-N 0 0 213.639 2.083 10 0 BEAERN CC(C)c1cccc(OCC(N)=S)c1 ZINC000019507007 517487223 /nfs/dbraw/zinc/48/72/23/517487223.db2.gz VIBFFGIFCJDFTB-UHFFFAOYSA-N 0 0 209.314 2.475 10 0 BEAERN COc1cc(CO)ccc1OCC(F)(F)F ZINC000020032073 518134583 /nfs/dbraw/zinc/13/45/83/518134583.db2.gz PFCPPKGLVLIBBF-UHFFFAOYSA-N 0 0 236.189 2.129 10 0 BEAERN CCO[C@H](C)Cn1cc(Br)cn1 ZINC000072219936 520468925 /nfs/dbraw/zinc/46/89/25/520468925.db2.gz OFEJVLQDAMYXNZ-SSDOTTSWSA-N 0 0 233.109 2.071 10 0 BEAERN CCOC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000026442110 520992005 /nfs/dbraw/zinc/99/20/05/520992005.db2.gz DKJZZNZJNFVRFY-MRVPVSSYSA-N 0 0 233.271 2.370 10 0 BEAERN CCCc1noc(NCCc2ccccn2)n1 ZINC000057353973 521592383 /nfs/dbraw/zinc/59/23/83/521592383.db2.gz LWUFLHJSJYJMBV-UHFFFAOYSA-N 0 0 232.287 2.072 10 0 BEAERN CC(C)(C)CCS(=O)(=O)N1C[C@@H]2CCC[C@H]21 ZINC000334303005 534591400 /nfs/dbraw/zinc/59/14/00/534591400.db2.gz AVRXRGSKEARGKW-WDEREUQCSA-N 0 0 245.388 2.237 10 0 BEAERN CN(C)[C@@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000095532617 522007523 /nfs/dbraw/zinc/00/75/23/522007523.db2.gz OWPIKIKCXVNFBR-SECBINFHSA-N 0 0 247.125 2.081 10 0 BEAERN CN(C)[C@@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000095532611 522009516 /nfs/dbraw/zinc/00/95/16/522009516.db2.gz QLNMCPXORYUZHQ-SECBINFHSA-N 0 0 247.125 2.081 10 0 BEAERN CN(C)[C@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000095532622 522068722 /nfs/dbraw/zinc/06/87/22/522068722.db2.gz VFIQNDAIHASCGQ-VIFPVBQESA-N 0 0 247.125 2.081 10 0 BEAERN CCc1noc(NCCc2ccc(F)cc2)n1 ZINC000057353926 522901066 /nfs/dbraw/zinc/90/10/66/522901066.db2.gz HEEYQJJLAGBKJL-UHFFFAOYSA-N 0 0 235.262 2.426 10 0 BEAERN COc1ccc(CC(C)=O)c(C)c1OC ZINC000002586016 523914133 /nfs/dbraw/zinc/91/41/33/523914133.db2.gz JWRKRPKCBXPHPO-UHFFFAOYSA-N 0 0 208.257 2.144 10 0 BEAERN COc1ccc2nc(CO)ccc2c1Cl ZINC000057348642 525666504 /nfs/dbraw/zinc/66/65/04/525666504.db2.gz SBDLVZSEUSJNCA-UHFFFAOYSA-N 0 0 223.659 2.389 10 0 BEAERN Cc1ccc(-c2noc([C@@H](N)CC(C)C)n2)n1C ZINC000229002921 525884487 /nfs/dbraw/zinc/88/44/87/525884487.db2.gz VJBONRIFAHKLJW-JTQLQIEISA-N 0 0 248.330 2.429 10 0 BEAERN CNC(=O)c1ccc(N)c(N2CCCC[C@@H]2C)c1 ZINC000103962699 536430445 /nfs/dbraw/zinc/43/04/45/536430445.db2.gz CNUGBJRNFYKEIX-JTQLQIEISA-N 0 0 247.342 2.007 10 0 BEAERN O=c1[nH]ccn1-c1cccc(C(F)(F)F)c1 ZINC000087665585 527446110 /nfs/dbraw/zinc/44/61/10/527446110.db2.gz JTDFBKJQMDGJOL-UHFFFAOYSA-N 0 0 228.173 2.184 10 0 BEAERN OC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095532620 527584783 /nfs/dbraw/zinc/58/47/83/527584783.db2.gz ZBSQIDHJYGHSTA-MRVPVSSYSA-N 0 0 207.056 2.019 10 0 BEAERN CCOC(=O)[C@@]1(C)CCc2[nH]nc(CC)c2C1 ZINC000504725017 527932705 /nfs/dbraw/zinc/93/27/05/527932705.db2.gz MGONPSCCVUCPSR-ZDUSSCGKSA-N 0 0 236.315 2.030 10 0 BEAERN CC[C@H](CC(C)C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000307994039 529309048 /nfs/dbraw/zinc/30/90/48/529309048.db2.gz QJULUKWCAAMRSP-JHJVBQTASA-N 0 0 241.375 2.336 10 0 BEAERN CC[C@H](CC(C)C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000307993559 529309058 /nfs/dbraw/zinc/30/90/58/529309058.db2.gz QJULUKWCAAMRSP-AGIUHOORSA-N 0 0 241.375 2.336 10 0 BEAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCCCCC1 ZINC000335961909 535203492 /nfs/dbraw/zinc/20/34/92/535203492.db2.gz BABGTMFEWKCIED-CHWSQXEVSA-N 0 0 239.359 2.450 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000154541835 535340599 /nfs/dbraw/zinc/34/05/99/535340599.db2.gz APFXUMCXKBMZER-DGCLKSJQSA-N 0 0 249.285 2.024 10 0 BEAERN CC[C@@H](C)CNc1nc(C)cc(OC)n1 ZINC000166526467 535525974 /nfs/dbraw/zinc/52/59/74/535525974.db2.gz NRRCEOPNAOFMJB-MRVPVSSYSA-N 0 0 209.293 2.252 10 0 BEAERN CC[C@@H](C)NC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000346048178 535584751 /nfs/dbraw/zinc/58/47/51/535584751.db2.gz NCLBNJCSIKTIFT-WISYIIOYSA-N 0 0 242.363 2.288 10 0 BEAERN CCC[C@H](OC)c1noc(C[C@@H](O)C(C)C)n1 ZINC000156899683 535722880 /nfs/dbraw/zinc/72/28/80/535722880.db2.gz SWVVHNHDBHWBGX-ZJUUUORDSA-N 0 0 242.319 2.117 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(NC)nc1 ZINC000233388777 535751889 /nfs/dbraw/zinc/75/18/89/535751889.db2.gz IYFWNKIJUVQDQJ-GXSJLCMTSA-N 0 0 233.315 2.042 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1ccc(CO)c(C)c1 ZINC000050583040 536171419 /nfs/dbraw/zinc/17/14/19/536171419.db2.gz WGITZRDXDDMHQI-OCCSQVGLSA-N 0 0 249.354 2.491 10 0 BEAERN CN1C(=O)COc2cc(Cl)cc(Cl)c21 ZINC000062530384 536314502 /nfs/dbraw/zinc/31/45/02/536314502.db2.gz CIORGKHNMTVPMG-UHFFFAOYSA-N 0 0 232.066 2.349 10 0 BEAERN CNc1ccccc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000334585657 536420846 /nfs/dbraw/zinc/42/08/46/536420846.db2.gz SXCSTHYVJDGBMW-MFKMUULPSA-N 0 0 230.311 2.353 10 0 BEAERN COc1cc(C(=O)Nc2n[nH]cc2C)ccc1F ZINC000135055967 536526654 /nfs/dbraw/zinc/52/66/54/536526654.db2.gz VMCPLXSPYLLMAL-UHFFFAOYSA-N 0 0 249.245 2.118 10 0 BEAERN COC[C@@H]1CCCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000113578122 536747126 /nfs/dbraw/zinc/74/71/26/536747126.db2.gz ZSMBJIAQTRMLIK-NWDGAFQWSA-N 0 0 242.363 2.099 10 0 BEAERN COCc1ccsc1C(=O)N[C@H]1C[C@H]1C ZINC000181458146 536811616 /nfs/dbraw/zinc/81/16/16/536811616.db2.gz GIVUTYVBBWVNPZ-APPZFPTMSA-N 0 0 225.313 2.033 10 0 BEAERN COC[C@H](C)Nc1cnn(-c2ccccc2F)c1 ZINC000132377183 536839254 /nfs/dbraw/zinc/83/92/54/536839254.db2.gz DAJKMAWIAGAPKM-JTQLQIEISA-N 0 0 249.289 2.458 10 0 BEAERN CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000115876294 537905035 /nfs/dbraw/zinc/90/50/35/537905035.db2.gz MJGWLGNBRPVODR-KOLCDFICSA-N 0 0 241.331 2.469 10 0 BEAERN CCCCOCC(F)(F)CNC1CC1 ZINC000685956062 537944900 /nfs/dbraw/zinc/94/49/00/537944900.db2.gz WHDBOAVAPMZPNR-UHFFFAOYSA-N 0 0 207.264 2.190 10 0 BEAERN CNc1cc(-c2ccnn2C)nc2ccsc21 ZINC000725257218 538061258 /nfs/dbraw/zinc/06/12/58/538061258.db2.gz KGGRVRDEVJONRX-UHFFFAOYSA-N 0 0 244.323 2.160 10 0 BEAERN CCc1nn(CC(C)(F)F)c(CC)c1N ZINC000704717266 582950076 /nfs/dbraw/zinc/95/00/76/582950076.db2.gz FFCYUEVHYXCNHZ-UHFFFAOYSA-N 0 0 217.263 2.245 10 0 BEAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@](C)(O)CO ZINC000252370201 574421028 /nfs/dbraw/zinc/42/10/28/574421028.db2.gz XCNCWOPROFTLGU-YIYPIFLZSA-N 0 0 244.375 2.207 10 0 endogenous,in-man BEAERN CC(C)n1c(C(C)(C)C)ccc(N)c1=O ZINC000082521187 566409823 /nfs/dbraw/zinc/40/98/23/566409823.db2.gz CRVCWMFDKNCEGL-UHFFFAOYSA-N 0 0 208.305 2.309 10 0 BEAERN Nc1cccc(-c2ccc3c(c2)CCN3)n1 ZINC000669381378 566427137 /nfs/dbraw/zinc/42/71/37/566427137.db2.gz HKSVYDNRAITHST-UHFFFAOYSA-N 0 0 211.268 2.299 10 0 BEAERN CC[C@H]1Nc2cccc(OC)c2C[C@]1(C)O ZINC000685963810 566487770 /nfs/dbraw/zinc/48/77/70/566487770.db2.gz XIQKUAQAMGNTMW-OLZOCXBDSA-N 0 0 221.300 2.193 10 0 BEAERN CCOC(=O)c1cnc(C2CCC2)nc1C ZINC000230387428 566489578 /nfs/dbraw/zinc/48/95/78/566489578.db2.gz JFFJOLOPFYEAAR-UHFFFAOYSA-N 0 0 220.272 2.229 10 0 BEAERN CCCCCc1oc(C)c(OC)c(=O)c1O ZINC000001533462 560125132 /nfs/dbraw/zinc/12/51/32/560125132.db2.gz OHRPDNHRQKOLGN-UHFFFAOYSA-N 0 0 226.272 2.395 10 0 endogenous,in-man BEAERN Nc1nn(Cc2ncccc2Cl)cc1Cl ZINC000707372530 582965775 /nfs/dbraw/zinc/96/57/75/582965775.db2.gz BHRXYZBJRVWKFR-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Cc1nc(Cn2cc(Cl)c(N)n2)c(C)s1 ZINC000707954723 582969038 /nfs/dbraw/zinc/96/90/38/582969038.db2.gz SCWTUHDHXQHJBO-UHFFFAOYSA-N 0 0 242.735 2.240 10 0 BEAERN CCOC(=O)[C@H](O)C1(F)CCCCCCC1 ZINC000675052557 583300445 /nfs/dbraw/zinc/30/04/45/583300445.db2.gz GJKHXFALXTYWIY-JTQLQIEISA-N 0 0 232.295 2.363 10 0 BEAERN CCOCCOC(=O)/C=C/C(C)(C)C ZINC000111677744 588766440 /nfs/dbraw/zinc/76/64/40/588766440.db2.gz WNLDVHVIBBBFAW-VOTSOKGWSA-N 0 0 200.278 2.168 10 0 BEAERN CCO[C@@H](C)C(=O)OCCc1ccc(F)cc1 ZINC000111992243 588777773 /nfs/dbraw/zinc/77/77/73/588777773.db2.gz LLMJQVHBODDLAS-JTQLQIEISA-N 0 0 240.274 2.336 10 0 BEAERN Cc1noc([C@H](C)OC(=O)C(C)(C)C)n1 ZINC000111987749 588777806 /nfs/dbraw/zinc/77/78/06/588777806.db2.gz HSZCWKHSRIMZNH-LURJTMIESA-N 0 0 212.249 2.028 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)O[C@@H]1CCOC1 ZINC000112149709 588783315 /nfs/dbraw/zinc/78/33/15/588783315.db2.gz OHODPHJOWOCBIV-DGCLKSJQSA-N 0 0 234.295 2.197 10 0 BEAERN CCCNC(=O)CCCC(=O)Oc1ccccc1 ZINC000112270363 588789035 /nfs/dbraw/zinc/78/90/35/588789035.db2.gz VPEQGPLFATVKDC-UHFFFAOYSA-N 0 0 249.310 2.289 10 0 BEAERN CCNC(=O)CCCC(=O)Oc1ccc(C)cc1 ZINC000112270344 588789121 /nfs/dbraw/zinc/78/91/21/588789121.db2.gz WQQCCKHXNFXMKA-UHFFFAOYSA-N 0 0 249.310 2.207 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)NC/C=C/c1ccccc1 ZINC000112585583 588804493 /nfs/dbraw/zinc/80/44/93/588804493.db2.gz QJLCUJCWXDYZPJ-XPDZNBDNSA-N 0 0 215.296 2.472 10 0 BEAERN Cc1c[nH]nc1NC(=O)Cc1cccc(F)c1 ZINC000112635169 588808078 /nfs/dbraw/zinc/80/80/78/588808078.db2.gz BGRNQNPIXHSXBF-UHFFFAOYSA-N 0 0 233.246 2.038 10 0 BEAERN Cc1nn(C)cc1C(=O)Oc1cccc(F)c1 ZINC000113009950 588822396 /nfs/dbraw/zinc/82/23/96/588822396.db2.gz ULCDGWZEELQCJQ-UHFFFAOYSA-N 0 0 234.230 2.087 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCC[C@@H](C)C2 ZINC000234594746 582461243 /nfs/dbraw/zinc/46/12/43/582461243.db2.gz JWPZGVPSEGFLOH-QNSHHTMESA-N 0 0 218.680 2.074 10 0 BEAERN CC[N@H+](CN1CCCC1=O)C1CCCCC1 ZINC000113237856 588827347 /nfs/dbraw/zinc/82/73/47/588827347.db2.gz QUSCGYJZMYBDAC-UHFFFAOYSA-N 0 0 224.348 2.221 10 0 BEAERN Nc1cc(C(F)(F)F)ccc1N1CCCC1=O ZINC000022177707 582459757 /nfs/dbraw/zinc/45/97/57/582459757.db2.gz XCZFWFQUQMFBKV-UHFFFAOYSA-N 0 0 244.216 2.414 10 0 BEAERN COC(CC(=O)C1CCCCC1)OC ZINC000038523846 582481307 /nfs/dbraw/zinc/48/13/07/582481307.db2.gz HWOGUXUMRSKALG-UHFFFAOYSA-N 0 0 200.278 2.145 10 0 BEAERN CCCC(=O)c1ncc(C2OCCO2)s1 ZINC000757125676 582500235 /nfs/dbraw/zinc/50/02/35/582500235.db2.gz SPRZQCWTJMOQTR-UHFFFAOYSA-N 0 0 227.285 2.171 10 0 BEAERN CC(C)(C)C(=O)c1ncc(C2OCCO2)s1 ZINC000757126079 582500902 /nfs/dbraw/zinc/50/09/02/582500902.db2.gz VCHHHMNMIQXISE-UHFFFAOYSA-N 0 0 241.312 2.417 10 0 BEAERN CC[C@@H](C)[C@H](O)c1ncc(C(C)=O)s1 ZINC000757133738 582509610 /nfs/dbraw/zinc/50/96/10/582509610.db2.gz WUCYIFMMTZGTFM-MUWHJKNJSA-N 0 0 213.302 2.425 10 0 BEAERN Cc1cc(C[C@@H](O)CCCO)ccc1Cl ZINC000757142828 582523127 /nfs/dbraw/zinc/52/31/27/582523127.db2.gz FQSRENZPWMVKRW-NSHDSACASA-N 0 0 228.719 2.324 10 0 BEAERN CC1(C)C[C@@]2(CO1)N[C@H](c1ccco1)CCO2 ZINC000757147082 582530240 /nfs/dbraw/zinc/53/02/40/582530240.db2.gz MBJBXXPSCMXPGD-GXFFZTMASA-N 0 0 237.299 2.226 10 0 BEAERN CC1(C)C[C@]2(CO1)N[C@H](c1ccco1)CCO2 ZINC000757147059 582530922 /nfs/dbraw/zinc/53/09/22/582530922.db2.gz MBJBXXPSCMXPGD-GWCFXTLKSA-N 0 0 237.299 2.226 10 0 BEAERN Cc1ccoc1CSc1ccnc(N)n1 ZINC000757163237 582544948 /nfs/dbraw/zinc/54/49/48/582544948.db2.gz DANIGDHECKRADV-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CC[C@@H]1CN(c2nc(C)cc(Cl)n2)CCO1 ZINC000757164993 582545838 /nfs/dbraw/zinc/54/58/38/582545838.db2.gz DIRIOUWLCSHMEB-SECBINFHSA-N 0 0 241.722 2.054 10 0 BEAERN CC(C)[C@]1(C)[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168593 582549281 /nfs/dbraw/zinc/54/92/81/582549281.db2.gz IQCAKVPMNRWKNQ-CWSCBRNRSA-N 0 0 243.347 2.307 10 0 BEAERN CCSc1cc(N)n(-c2ccc(O)cc2)n1 ZINC000757170982 582550714 /nfs/dbraw/zinc/55/07/14/582550714.db2.gz MEDLZTBTGGYVDX-UHFFFAOYSA-N 0 0 235.312 2.272 10 0 BEAERN CCC1CCC([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000757193484 582557594 /nfs/dbraw/zinc/55/75/94/582557594.db2.gz QZBMTXHHHSDLNA-MMVSWEMESA-N 0 0 225.332 2.123 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1[C@H]1CCCc2ccccc21 ZINC000757194072 582558158 /nfs/dbraw/zinc/55/81/58/582558158.db2.gz VLBUJBGBQGHFQC-MELADBBJSA-N 0 0 245.322 2.027 10 0 BEAERN C[C@@H]1CCNc2nc(-c3ccccc3)nn21 ZINC000235335466 582560998 /nfs/dbraw/zinc/56/09/98/582560998.db2.gz WATGONKSJYMKSL-SECBINFHSA-N 0 0 214.272 2.322 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](c2ccccc2)[NH2+]1 ZINC000757216046 582561007 /nfs/dbraw/zinc/56/10/07/582561007.db2.gz OTGWKHMAHHGUKV-YUSALJHKSA-N 0 0 219.284 2.200 10 0 BEAERN O=C([O-])[C@@H]1[NH2+]CCC[C@@H]1c1cccc2cc[nH]c21 ZINC000757217798 582561519 /nfs/dbraw/zinc/56/15/19/582561519.db2.gz SMKROMGUTZBGRK-DGCLKSJQSA-N 0 0 244.294 2.088 10 0 BEAERN C[C@H]1[NH2+]CCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757218723 582563138 /nfs/dbraw/zinc/56/31/38/582563138.db2.gz WRNNDGRTWJLDNB-BXKDBHETSA-N 0 0 219.284 2.240 10 0 BEAERN CCOC(=O)c1ccnc(CCC(C)C)n1 ZINC000300760326 582579071 /nfs/dbraw/zinc/57/90/71/582579071.db2.gz WFVGNXUFYJNCGT-UHFFFAOYSA-N 0 0 222.288 2.242 10 0 BEAERN CCOC(=O)c1nc(CSCC)ncc1C ZINC000300978152 582599237 /nfs/dbraw/zinc/59/92/37/582599237.db2.gz TUGRNMYNWLPDTC-UHFFFAOYSA-N 0 0 240.328 2.215 10 0 BEAERN Cc1ccc(Cn2ccc(N)n2)c(Cl)c1 ZINC000235879175 582618563 /nfs/dbraw/zinc/61/85/63/582618563.db2.gz XKRHLVRCOMRYKZ-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Nc1cnn2c1NCC[C@H]2C1CCCCC1 ZINC000236376634 582654079 /nfs/dbraw/zinc/65/40/79/582654079.db2.gz SLVYDDPEJGHABI-NSHDSACASA-N 0 0 220.320 2.402 10 0 BEAERN COCCCOC(=O)/C=C/C(C)(C)C ZINC000113488163 588842161 /nfs/dbraw/zinc/84/21/61/588842161.db2.gz ZINZURHXWBYOIP-VOTSOKGWSA-N 0 0 200.278 2.168 10 0 BEAERN COP(=O)(CC(=O)c1ccoc1C)OC ZINC000238356407 582669956 /nfs/dbraw/zinc/66/99/56/582669956.db2.gz HLQGMCUMJUGRPK-UHFFFAOYSA-N 0 0 232.172 2.257 10 0 BEAERN Nc1ccc(N2CCCC2=O)c(C(F)(F)F)c1 ZINC000039384574 582675532 /nfs/dbraw/zinc/67/55/32/582675532.db2.gz QIUZDTXQLZXAJD-UHFFFAOYSA-N 0 0 244.216 2.414 10 0 BEAERN Cc1cn(C[C@H]2CCC[C@@H](C)C2)nc1N ZINC000379948723 582685027 /nfs/dbraw/zinc/68/50/27/582685027.db2.gz DODGNGRLCNAMBJ-KOLCDFICSA-N 0 0 207.321 2.430 10 0 BEAERN O=C(OCC(F)(F)F)[C@H]1COc2ccccc21 ZINC000113654516 588848056 /nfs/dbraw/zinc/84/80/56/588848056.db2.gz OLQZACMPCVGSNZ-QMMMGPOBSA-N 0 0 246.184 2.268 10 0 BEAERN CO[C@@H](C)CC(=O)OCc1ccoc1C ZINC000113678671 588848336 /nfs/dbraw/zinc/84/83/36/588848336.db2.gz FSXPQOXLHPZQIK-QMMMGPOBSA-N 0 0 212.245 2.056 10 0 BEAERN O[C@@]1(c2ccc(Br)cc2)CCOC1 ZINC000258283742 582803570 /nfs/dbraw/zinc/80/35/70/582803570.db2.gz OTJRTHFIECDKPQ-JTQLQIEISA-N 0 0 243.100 2.057 10 0 BEAERN N#CCCCCCn1cc(Cl)c(N)n1 ZINC000385378274 582805147 /nfs/dbraw/zinc/80/51/47/582805147.db2.gz NDEUMCZIAXLTCL-UHFFFAOYSA-N 0 0 212.684 2.033 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CNC(=O)CC(C)(C)C ZINC000127682229 582817004 /nfs/dbraw/zinc/81/70/04/582817004.db2.gz YSRFSYYXZUFDMM-SNVBAGLBSA-N 0 0 243.347 2.127 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2cc(C(C)C)ncn2)C1 ZINC000111691060 582817957 /nfs/dbraw/zinc/81/79/57/582817957.db2.gz WJNFFZWQSSSGGC-GFCCVEGCSA-N 0 0 247.342 2.405 10 0 BEAERN C[C@H](NC(=O)Nc1ccns1)C1CC1 ZINC000889128794 582824920 /nfs/dbraw/zinc/82/49/20/582824920.db2.gz LXQUFAOPRFPUDX-LURJTMIESA-N 0 0 211.290 2.063 10 0 BEAERN CCCNC(=O)CCCC(=O)O[C@H](C)C(C)C ZINC000128052438 582825256 /nfs/dbraw/zinc/82/52/56/582825256.db2.gz MDXMBJQLTUBRIY-LLVKDONJSA-N 0 0 243.347 2.271 10 0 BEAERN CCC(CC)OCn1cc(Cl)c(N)n1 ZINC000389217963 582880639 /nfs/dbraw/zinc/88/06/39/582880639.db2.gz LKFQXTCZDSLUBR-UHFFFAOYSA-N 0 0 217.700 2.112 10 0 BEAERN CC(C)(C)/C=C/C(=O)Oc1cccc(C(N)=O)c1 ZINC000114235414 588872184 /nfs/dbraw/zinc/87/21/84/588872184.db2.gz IUBPYGBTQBPWFT-BQYQJAHWSA-N 0 0 247.294 2.293 10 0 BEAERN C[C@@H](NC(=O)c1ccc(F)nc1)C(C)(C)C ZINC000114276535 588872760 /nfs/dbraw/zinc/87/27/60/588872760.db2.gz YWICGULWICRCCI-MRVPVSSYSA-N 0 0 224.279 2.385 10 0 BEAERN CC/C=C/COC(=O)c1cnn(CC)c1 ZINC000114618846 588878505 /nfs/dbraw/zinc/87/85/05/588878505.db2.gz XRMLYDZFEHEKFX-AATRIKPKSA-N 0 0 208.261 2.026 10 0 BEAERN S=C1N=NC(c2cscn2)N1C1CC1 ZINC000228207374 583200609 /nfs/dbraw/zinc/20/06/09/583200609.db2.gz MDHOLVSCTCEHLK-UHFFFAOYSA-N 0 0 224.314 2.025 10 0 BEAERN CC1CCC(N(C)c2ncc(C=O)cn2)CC1 ZINC000126285860 583206082 /nfs/dbraw/zinc/20/60/82/583206082.db2.gz HGGCYBHFUANCSE-UHFFFAOYSA-N 0 0 233.315 2.304 10 0 BEAERN CC[C@H]1CCCN(c2ncc(C=O)cn2)CC1 ZINC000126331739 583206633 /nfs/dbraw/zinc/20/66/33/583206633.db2.gz SRTSWTFSJNOGLX-NSHDSACASA-N 0 0 233.315 2.306 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@H]2C2CC2)o1 ZINC000332827375 583302802 /nfs/dbraw/zinc/30/28/02/583302802.db2.gz LXWMMPSVGQGIAU-LSJOCFKGSA-N 0 0 234.299 2.206 10 0 BEAERN O=C1CCC[C@@H](c2cc(F)cc(F)c2)N1 ZINC000114955367 588892391 /nfs/dbraw/zinc/89/23/91/588892391.db2.gz SPWXPBDVDRVWAB-JTQLQIEISA-N 0 0 211.211 2.306 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)C[C@H]1C(C)C ZINC000260345538 583368002 /nfs/dbraw/zinc/36/80/02/583368002.db2.gz DAXZZEMIIITEQS-MNOVXSKESA-N 0 0 212.289 2.191 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000127228951 583385560 /nfs/dbraw/zinc/38/55/60/583385560.db2.gz PVRNVZQQIIVQJB-WOPDTQHZSA-N 0 0 244.331 2.158 10 0 BEAERN Cn1ncc(N)c1-c1cccc(Cl)c1 ZINC000107149235 583416596 /nfs/dbraw/zinc/41/65/96/583416596.db2.gz GUQMLJITEYCSEI-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CC[C@@H]1CCC[C@H](OC(=O)[C@@H](C)NC(C)=O)C1 ZINC000115919315 588935791 /nfs/dbraw/zinc/93/57/91/588935791.db2.gz NWUXPCPTJGGIJH-JLLWLGSASA-N 0 0 241.331 2.023 10 0 BEAERN COC(=O)C=C(C(F)(F)F)C(F)(F)F ZINC000144750331 583928990 /nfs/dbraw/zinc/92/89/90/583928990.db2.gz ZPHBFLZBUXUAED-UHFFFAOYSA-N 0 0 222.084 2.210 10 0 BEAERN CC(C)[C@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000203287911 583967188 /nfs/dbraw/zinc/96/71/88/583967188.db2.gz BNOQFAHMVRLXEF-YUMQZZPRSA-N 0 0 218.243 2.462 10 0 BEAERN CCn1nc(C)c([C@@H](C)NCc2ccon2)c1C ZINC000148672695 584030825 /nfs/dbraw/zinc/03/08/25/584030825.db2.gz GYBRJRITVDSWHS-SECBINFHSA-N 0 0 248.330 2.359 10 0 BEAERN C[C@@H](NC(=O)CC1=CCCCC1)c1cc(=O)[nH][nH]1 ZINC000898870573 584163501 /nfs/dbraw/zinc/16/35/01/584163501.db2.gz WMPXVASRONBODX-SECBINFHSA-N 0 0 249.314 2.183 10 0 BEAERN C[C@H]1C[NH2+]CC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000200243287 588964220 /nfs/dbraw/zinc/96/42/20/588964220.db2.gz YUBKPEFREFGXQO-JOYOIKCWSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@H]1C[NH2+]CC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000200243039 588964368 /nfs/dbraw/zinc/96/43/68/588964368.db2.gz YUBKPEFREFGXQO-CABZTGNLSA-N 0 0 219.284 2.098 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCC(C)(C)C[C@@H]2C ZINC000088133571 584907500 /nfs/dbraw/zinc/90/75/00/584907500.db2.gz AHSHWKJIDFQMMA-AUTRQRHGSA-N 0 0 212.289 2.143 10 0 BEAERN CC(=O)c1ccc(OC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000121359890 585093122 /nfs/dbraw/zinc/09/31/22/585093122.db2.gz GQFAAETYKKJTPN-RNCFNFMXSA-N 0 0 248.278 2.362 10 0 BEAERN COC[C@H](C)C(=O)OC[C@H]1CC=CC[C@@H]1C ZINC000103357769 585096802 /nfs/dbraw/zinc/09/68/02/585096802.db2.gz WIXVVXRHMRHHPU-SDDRHHMPSA-N 0 0 226.316 2.414 10 0 BEAERN COC[C@H](C)C(=O)Oc1cccc(C)c1 ZINC000103356295 585096882 /nfs/dbraw/zinc/09/68/82/585096882.db2.gz JKQKLPKTVTYOGP-JTQLQIEISA-N 0 0 208.257 2.183 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000103357864 585096925 /nfs/dbraw/zinc/09/69/25/585096925.db2.gz IQPUYJNPEBBTJO-OUAUKWLOSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1nnc(SC[C@@H](C)c2ccccc2)n1N ZINC000116610251 589020972 /nfs/dbraw/zinc/02/09/72/589020972.db2.gz PKAOVYHQFUYHMW-SECBINFHSA-N 0 0 248.355 2.196 10 0 BEAERN COC[C@H](C)C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000103552354 585336044 /nfs/dbraw/zinc/33/60/44/585336044.db2.gz AYNKIIITIQORLH-BQBZGAKWSA-N 0 0 241.114 2.006 10 0 BEAERN CC(C)C[C@H](C)OC(=O)CCn1cccn1 ZINC000103672898 586299914 /nfs/dbraw/zinc/29/99/14/586299914.db2.gz KPPCAFXBZNKZOR-NSHDSACASA-N 0 0 224.304 2.251 10 0 BEAERN c1cc2c(nc([C@@H]3CCOC3)nc2NC2CC2)[nH]1 ZINC000757566100 586306167 /nfs/dbraw/zinc/30/61/67/586306167.db2.gz KSZQMDSCDMHKSF-MRVPVSSYSA-N 0 0 244.298 2.036 10 0 BEAERN CCCCC(=O)c1nc(C)c(CO)s1 ZINC000757126058 586426208 /nfs/dbraw/zinc/42/62/08/586426208.db2.gz VAEJXUXOESHTCG-UHFFFAOYSA-N 0 0 213.302 2.317 10 0 BEAERN Cc1nc([C@H](O)C(C)(C)F)sc1C=O ZINC000757123072 586426350 /nfs/dbraw/zinc/42/63/50/586426350.db2.gz AKPJWUBJNDLMLC-ZETCQYMHSA-N 0 0 217.265 2.046 10 0 BEAERN C[C@@H](CCO)Nc1cc2ccccc2[nH]1 ZINC000757136717 586427134 /nfs/dbraw/zinc/42/71/34/586427134.db2.gz PIHWAHKWWYPYON-VIFPVBQESA-N 0 0 204.273 2.351 10 0 BEAERN C[C@H](CCO)Nc1cc2ccccc2[nH]1 ZINC000757136713 586427159 /nfs/dbraw/zinc/42/71/59/586427159.db2.gz PIHWAHKWWYPYON-SECBINFHSA-N 0 0 204.273 2.351 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CC(=O)C12CCCC2 ZINC000757168949 586432661 /nfs/dbraw/zinc/43/26/61/586432661.db2.gz PHWLSGVDLVYDCJ-VIFPVBQESA-N 0 0 239.315 2.413 10 0 BEAERN COCc1cc(=S)n(-c2ccc(O)cc2)[nH]1 ZINC000757171820 586433170 /nfs/dbraw/zinc/43/31/70/586433170.db2.gz XTDWOPHVDHFGRG-UHFFFAOYSA-N 0 0 236.296 2.013 10 0 BEAERN CC[N@H+]1C[C@@H](c2cc(C)ccc2C)[C@H](C(=O)[O-])C1 ZINC000757183165 586433702 /nfs/dbraw/zinc/43/37/02/586433702.db2.gz CAZPCLFWGFMMHE-UONOGXRCSA-N 0 0 247.338 2.423 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2cc(C)ccc2C)C1 ZINC000757183161 586433784 /nfs/dbraw/zinc/43/37/84/586433784.db2.gz CAZPCLFWGFMMHE-KBPBESRZSA-N 0 0 247.338 2.423 10 0 BEAERN CCOC(=O)C=C1CC(OC(C)(C)C)C1 ZINC000757189364 586435182 /nfs/dbraw/zinc/43/51/82/586435182.db2.gz GRKPFLUMBWOPAZ-UHFFFAOYSA-N 0 0 212.289 2.453 10 0 BEAERN CCC1(CC)/C(=C\C(=O)OC)C[C@@H]1OC ZINC000757193000 586436033 /nfs/dbraw/zinc/43/60/33/586436033.db2.gz XUDQBFNOUALJRA-QROTZFDESA-N 0 0 212.289 2.311 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1cccc2ccsc21 ZINC000757194226 586436271 /nfs/dbraw/zinc/43/62/71/586436271.db2.gz WSLNUSFWAOGZAC-MNOVXSKESA-N 0 0 247.319 2.289 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C)cc2)C1 ZINC000757193677 586436346 /nfs/dbraw/zinc/43/63/46/586436346.db2.gz UGCFXVSZZYCOQK-OLZOCXBDSA-N 0 0 233.311 2.115 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1csc2ccccc21 ZINC000757195073 586436548 /nfs/dbraw/zinc/43/65/48/586436548.db2.gz YXKMJTJIGGLECQ-NXEZZACHSA-N 0 0 247.319 2.289 10 0 BEAERN CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000757193928 586436588 /nfs/dbraw/zinc/43/65/88/586436588.db2.gz WYOBYKMACIDBNI-QWHCGFSZSA-N 0 0 233.311 2.195 10 0 BEAERN Cc1nn(C2CCC(C)CC2)cc1CO ZINC000757196775 586436987 /nfs/dbraw/zinc/43/69/87/586436987.db2.gz YGUVRQPVZUUWLU-UHFFFAOYSA-N 0 0 208.305 2.435 10 0 BEAERN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](C[C@@H]1O)C2 ZINC000757215096 586440255 /nfs/dbraw/zinc/44/02/55/586440255.db2.gz URQMMMMCVULZKN-KWBADKCTSA-N 0 0 241.331 2.062 10 0 BEAERN Cc1ccc(N)cc1[C@@H]1C[C@H](C(=O)[O-])C[C@@H](C)[NH2+]1 ZINC000757235733 586443875 /nfs/dbraw/zinc/44/38/75/586443875.db2.gz MOEGRVXDGQRFHP-BREBYQMCSA-N 0 0 248.326 2.091 10 0 BEAERN C[C@@H]1C[C@@H](c2ccc(C(=O)[O-])cc2)CC[NH2+]1 ZINC000757239659 586444182 /nfs/dbraw/zinc/44/41/82/586444182.db2.gz VPIOIRKYOWRIRP-SKDRFNHKSA-N 0 0 219.284 2.240 10 0 BEAERN CCc1nn(C)c(CC)c1C1=CCOCC1 ZINC000757564886 586461234 /nfs/dbraw/zinc/46/12/34/586461234.db2.gz DSMXYVMJFWJFLV-UHFFFAOYSA-N 0 0 220.316 2.349 10 0 BEAERN CC(=O)N(C)CC(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000103803815 586816766 /nfs/dbraw/zinc/81/67/66/586816766.db2.gz SMVINNLKDHNHQV-NSHDSACASA-N 0 0 249.310 2.078 10 0 BEAERN COC[C@H](C)C(=O)OCc1cccnc1Cl ZINC000103814861 586830698 /nfs/dbraw/zinc/83/06/98/586830698.db2.gz LIOFEJRKJBVFED-QMMMGPOBSA-N 0 0 243.690 2.061 10 0 BEAERN COC[C@H](C)OC(=O)/C=C/C(C)(C)C ZINC000117097353 589074928 /nfs/dbraw/zinc/07/49/28/589074928.db2.gz BDOOEJJHNNMXIC-UCUJLANTSA-N 0 0 200.278 2.167 10 0 BEAERN Cc1cccc(OC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000121364495 587388963 /nfs/dbraw/zinc/38/89/63/587388963.db2.gz VKYMPGWAUVAXMO-CMPLNLGQSA-N 0 0 220.268 2.468 10 0 BEAERN CCOCC(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000102130435 587806917 /nfs/dbraw/zinc/80/69/17/587806917.db2.gz KWBRJENMVCOAKP-SECBINFHSA-N 0 0 248.282 2.204 10 0 BEAERN CCCCCCNC(=O)N(C)C[C@@H]1CCCO1 ZINC000102901515 587893877 /nfs/dbraw/zinc/89/38/77/587893877.db2.gz VQERCLALUYWSRZ-LBPRGKRZSA-N 0 0 242.363 2.387 10 0 BEAERN CCCCCCNC(=O)N(C)C[C@H]1CCCO1 ZINC000102901516 587893969 /nfs/dbraw/zinc/89/39/69/587893969.db2.gz VQERCLALUYWSRZ-GFCCVEGCSA-N 0 0 242.363 2.387 10 0 BEAERN CC/C=C/COC(=O)CCCC(=O)NC(C)C ZINC000121487380 587929402 /nfs/dbraw/zinc/92/94/02/587929402.db2.gz VVKIIEWDLJBDMW-AATRIKPKSA-N 0 0 241.331 2.191 10 0 BEAERN C/C=C/C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000105824301 588224568 /nfs/dbraw/zinc/22/45/68/588224568.db2.gz XRMUCQVCVHMUBX-BRAIEQGRSA-N 0 0 249.310 2.457 10 0 BEAERN COCCC1(C(=O)OCC[C@@H](C)OC)CCC1 ZINC000121567019 588229036 /nfs/dbraw/zinc/22/90/36/588229036.db2.gz VADCCGYNGGUNLB-LLVKDONJSA-N 0 0 244.331 2.161 10 0 BEAERN Cc1nnc(COC(=O)CC2=CCCCC2)n1C ZINC000106931246 588316873 /nfs/dbraw/zinc/31/68/73/588316873.db2.gz WFTQMWFEXGWSEY-UHFFFAOYSA-N 0 0 249.314 2.057 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)C2=COCCC2)C1 ZINC000107425485 588364144 /nfs/dbraw/zinc/36/41/44/588364144.db2.gz XQTIPWRSPCLNHY-NEPJUHHUSA-N 0 0 240.299 2.182 10 0 BEAERN CCCCCCOCC(=O)N[C@@H]1C[C@H]1C ZINC000107589836 588383543 /nfs/dbraw/zinc/38/35/43/588383543.db2.gz LYVCCEGVXXZUDA-GHMZBOCLSA-N 0 0 213.321 2.108 10 0 BEAERN COC(=O)Cc1cccc(OC(=O)C=C(C)C)c1 ZINC000109194527 588530806 /nfs/dbraw/zinc/53/08/06/588530806.db2.gz YOTKTIHUGZIXAI-UHFFFAOYSA-N 0 0 248.278 2.274 10 0 BEAERN Cc1cccc(C(=O)OCC(=O)C2CC2)c1C ZINC000109367314 588556607 /nfs/dbraw/zinc/55/66/07/588556607.db2.gz HTKQUAMIQWJPHM-UHFFFAOYSA-N 0 0 232.279 2.439 10 0 BEAERN O=C(COC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000109367199 588556613 /nfs/dbraw/zinc/55/66/13/588556613.db2.gz HRJVGMUFADINTA-UHFFFAOYSA-N 0 0 238.670 2.476 10 0 BEAERN Cc1ccc(F)c(C(=O)OCC(=O)C2CC2)c1 ZINC000109373426 588558305 /nfs/dbraw/zinc/55/83/05/588558305.db2.gz HNNWLNUHMUDFQK-UHFFFAOYSA-N 0 0 236.242 2.270 10 0 BEAERN COC(=O)[C@H](CC(C)C)OC(=O)C1CCCC1 ZINC000118911526 589205026 /nfs/dbraw/zinc/20/50/26/589205026.db2.gz VKHRSSSCPJMCAI-NSHDSACASA-N 0 0 242.315 2.308 10 0 BEAERN CCC1(COC(=O)c2cccs2)COC1 ZINC000118953075 589215962 /nfs/dbraw/zinc/21/59/62/589215962.db2.gz UCFQCPAGGTUYFX-UHFFFAOYSA-N 0 0 226.297 2.332 10 0 BEAERN CC(C)COC(=O)CCc1ccncc1 ZINC000118974679 589225949 /nfs/dbraw/zinc/22/59/49/589225949.db2.gz QHWWPZZWXYQQRQ-UHFFFAOYSA-N 0 0 207.273 2.213 10 0 BEAERN CCCCCC(=O)OCc1nncn1CCC ZINC000119559051 589304231 /nfs/dbraw/zinc/30/42/31/589304231.db2.gz UWCTUGSZJGUFIO-UHFFFAOYSA-N 0 0 239.319 2.312 10 0 BEAERN Cn1nccc1CCC(=O)Oc1ccccc1F ZINC000120527217 589432481 /nfs/dbraw/zinc/43/24/81/589432481.db2.gz WHHGTZBSQNNRCX-UHFFFAOYSA-N 0 0 248.257 2.097 10 0 BEAERN CC/C=C/COC(=O)C[C@@H]1CCCCO1 ZINC000120610118 589444942 /nfs/dbraw/zinc/44/49/42/589444942.db2.gz VBDUFZGEOFOMFR-TZNOJPMFSA-N 0 0 212.289 2.455 10 0 BEAERN CCC(=CC(=O)N[C@@H](C)[C@H]1CCCO1)CC ZINC000120717440 589458325 /nfs/dbraw/zinc/45/83/25/589458325.db2.gz WAVQZAOWMDXDSO-CMPLNLGQSA-N 0 0 225.332 2.417 10 0 BEAERN CC(C)CCOC(=O)[C@H]1CC[C@H](C)O1 ZINC000122231519 589567651 /nfs/dbraw/zinc/56/76/51/589567651.db2.gz QVTUALGFSRCZDR-VHSXEESVSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCc2ccccc2F)O1 ZINC000122270431 589574119 /nfs/dbraw/zinc/57/41/19/589574119.db2.gz TVLDCHOTAQAAGQ-SKDRFNHKSA-N 0 0 238.258 2.436 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCc2cccc(F)c2)O1 ZINC000122301409 589577455 /nfs/dbraw/zinc/57/74/55/589577455.db2.gz IWIXQGKXXCOANZ-CABZTGNLSA-N 0 0 238.258 2.436 10 0 BEAERN CCCCCOC(=O)[C@H]1CC[C@H](C)O1 ZINC000122370590 589584761 /nfs/dbraw/zinc/58/47/61/589584761.db2.gz LQERGCQNMPIEOO-VHSXEESVSA-N 0 0 200.278 2.287 10 0 BEAERN CCCCCOC(=O)[C@H]1CC[C@@H](C)O1 ZINC000122371049 589585027 /nfs/dbraw/zinc/58/50/27/589585027.db2.gz LQERGCQNMPIEOO-NXEZZACHSA-N 0 0 200.278 2.287 10 0 BEAERN CNC(=S)N[C@H]1CCCC[C@@H]1C(C)C ZINC000122412387 589587183 /nfs/dbraw/zinc/58/71/83/589587183.db2.gz PURHWFKBRRYZIB-ZJUUUORDSA-N 0 0 214.378 2.295 10 0 BEAERN CCCCC[C@H](C(=O)N1CC(CO)C1)C(C)C ZINC000122503132 589595420 /nfs/dbraw/zinc/59/54/20/589595420.db2.gz BMQBKOUGPILZIP-ZDUSSCGKSA-N 0 0 241.375 2.290 10 0 BEAERN C[C@H]1CN(C(=O)N2CCCCC2)CCS1 ZINC000122533030 589600033 /nfs/dbraw/zinc/60/00/33/589600033.db2.gz CKEXPXXRWYDAAD-JTQLQIEISA-N 0 0 228.361 2.030 10 0 BEAERN CCCCCC[C@H](C)C(=O)N1CC(CO)C1 ZINC000122646160 589613902 /nfs/dbraw/zinc/61/39/02/589613902.db2.gz ZEAUGYQCJXMEMB-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN CCC1CCC(NC(=O)c2noc(C)n2)CC1 ZINC000122805818 589633681 /nfs/dbraw/zinc/63/36/81/589633681.db2.gz SIFCAJLERMQHNJ-UHFFFAOYSA-N 0 0 237.303 2.077 10 0 BEAERN Clc1ccc(N[C@@H]2CCCOC2)cn1 ZINC000122830448 589636522 /nfs/dbraw/zinc/63/65/22/589636522.db2.gz UAGXFOYPRFUHAU-SECBINFHSA-N 0 0 212.680 2.326 10 0 BEAERN CC(C)OCCOC(=O)C[C@@H]1C=CCC1 ZINC000122863305 589640152 /nfs/dbraw/zinc/64/01/52/589640152.db2.gz XWIGAALSQUOLJL-LLVKDONJSA-N 0 0 212.289 2.311 10 0 BEAERN O=C(C[C@H]1C=CCC1)OC[C@@H]1CCCO1 ZINC000122862025 589640164 /nfs/dbraw/zinc/64/01/64/589640164.db2.gz RFSGKIWQDGOLSU-QWRGUYRKSA-N 0 0 210.273 2.065 10 0 BEAERN CC(C)c1nn(C)cc1-c1ccc(N)cn1 ZINC000122882945 589642599 /nfs/dbraw/zinc/64/25/99/589642599.db2.gz CJIDZMNLKHMZJK-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN Cc1ccc(OCC(=O)OCC(F)(F)F)cc1 ZINC000123114262 589662128 /nfs/dbraw/zinc/66/21/28/589662128.db2.gz MIDYPQYESZRLAI-UHFFFAOYSA-N 0 0 248.200 2.479 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)c2cccnc2)C1 ZINC000123135891 589665917 /nfs/dbraw/zinc/66/59/17/589665917.db2.gz OQWNDBHARXTAPE-NWDGAFQWSA-N 0 0 235.283 2.196 10 0 BEAERN C[C@H](O)c1ccc(N2CCS[C@H](C)C2)nc1 ZINC000123571063 589754838 /nfs/dbraw/zinc/75/48/38/589754838.db2.gz YMAOANHBWBOPJK-ZJUUUORDSA-N 0 0 238.356 2.077 10 0 BEAERN Cc1cccc(C(=O)OCC(=O)C2CC2)c1F ZINC000123850066 589829901 /nfs/dbraw/zinc/82/99/01/589829901.db2.gz IHEQZYKYGKNJPO-UHFFFAOYSA-N 0 0 236.242 2.270 10 0 BEAERN COC[C@H](C)OC(=O)CCCC[C@H](C)C(C)=O ZINC000124263799 589971334 /nfs/dbraw/zinc/97/13/34/589971334.db2.gz WNNGZJQTWOFDCT-QWRGUYRKSA-N 0 0 244.331 2.350 10 0 BEAERN CC[C@H](C)COC(=O)c1cnn2ccc(C)nc12 ZINC000124318846 589974543 /nfs/dbraw/zinc/97/45/43/589974543.db2.gz QMGYZCXNILFQSX-VIFPVBQESA-N 0 0 247.298 2.241 10 0 BEAERN CC(C)C[C@H](C)OC(=O)CCc1ccnn1C ZINC000124633811 590068299 /nfs/dbraw/zinc/06/82/99/590068299.db2.gz DMMFOJBULGYFFH-NSHDSACASA-N 0 0 238.331 2.331 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Oc2cccc(F)c2)O1 ZINC000124789910 590085102 /nfs/dbraw/zinc/08/51/02/590085102.db2.gz FRNBEDQNBUZPMK-GZMMTYOYSA-N 0 0 224.231 2.299 10 0 BEAERN COc1ccccc1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000124787720 590085283 /nfs/dbraw/zinc/08/52/83/590085283.db2.gz BPSVEYZYDCRNST-SKDRFNHKSA-N 0 0 236.267 2.168 10 0 BEAERN CC(C)CN(C)c1ccc([C@H](C)O)cn1 ZINC000124907062 590098167 /nfs/dbraw/zinc/09/81/67/590098167.db2.gz SOQGUNPPOPVAIW-JTQLQIEISA-N 0 0 208.305 2.227 10 0 BEAERN C[C@H](O)c1ccc(N2CCC(C)(C)C2)nc1 ZINC000124947794 590102795 /nfs/dbraw/zinc/10/27/95/590102795.db2.gz OMQXIHDEVOFWPK-JTQLQIEISA-N 0 0 220.316 2.371 10 0 BEAERN CCCn1cc(NCc2ccoc2)cn1 ZINC000125136585 590125732 /nfs/dbraw/zinc/12/57/32/590125732.db2.gz QMGDQPZAYXPPRQ-UHFFFAOYSA-N 0 0 205.261 2.498 10 0 BEAERN CCOCC(COCC)OC(=O)[C@H](C)CC ZINC000125148857 590126889 /nfs/dbraw/zinc/12/68/89/590126889.db2.gz VYTLGLYPLCCYDA-SNVBAGLBSA-N 0 0 232.320 2.017 10 0 BEAERN CC/C=C(\C)C(=O)OC(COCC)COCC ZINC000125166843 590144077 /nfs/dbraw/zinc/14/40/77/590144077.db2.gz HISCPYXQOGJMIS-DHZHZOJOSA-N 0 0 244.331 2.328 10 0 BEAERN O=C(OCCF)C1(c2ccc(F)cc2)CC1 ZINC000125338568 590162081 /nfs/dbraw/zinc/16/20/81/590162081.db2.gz BNFMSSCWQHMOJS-UHFFFAOYSA-N 0 0 226.222 2.370 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cnc(NC)s1 ZINC000125330387 590162220 /nfs/dbraw/zinc/16/22/20/590162220.db2.gz KQRJGINLUTZRGW-YUMQZZPRSA-N 0 0 239.344 2.103 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)Nc1conc1C ZINC000888730920 590202732 /nfs/dbraw/zinc/20/27/32/590202732.db2.gz UXUSMWQZXZDLDI-BDAKNGLRSA-N 0 0 223.276 2.293 10 0 BEAERN CCN(C)Cc1c(Cl)nc(Cl)n1C ZINC000126305625 590271539 /nfs/dbraw/zinc/27/15/39/590271539.db2.gz ACBSGZPUJGRELQ-UHFFFAOYSA-N 0 0 222.119 2.179 10 0 BEAERN CCCC[C@H](C)OC(=O)c1cn(C)nc1C ZINC000126640770 590390211 /nfs/dbraw/zinc/39/02/11/590390211.db2.gz INOGYSYBOUJQAX-VIFPVBQESA-N 0 0 224.304 2.464 10 0 BEAERN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)C1CCC1 ZINC000126696315 590417592 /nfs/dbraw/zinc/41/75/92/590417592.db2.gz DUAAGUQSMWHHOP-MXWKQRLJSA-N 0 0 224.300 2.143 10 0 BEAERN Cc1nn(C)c(C)c1CCOC(=O)c1ccoc1 ZINC000126791630 590446090 /nfs/dbraw/zinc/44/60/90/590446090.db2.gz FRYORENMFALAFS-UHFFFAOYSA-N 0 0 248.282 2.029 10 0 BEAERN CCc1cc(C)c(C(=O)OCc2cnn(C)c2)o1 ZINC000126804852 590458761 /nfs/dbraw/zinc/45/87/61/590458761.db2.gz CFJBBCWXUODBCA-UHFFFAOYSA-N 0 0 248.282 2.241 10 0 BEAERN CCc1cccc(CC(=O)OC[C@@H]2CCOC2)c1 ZINC000126884639 590491004 /nfs/dbraw/zinc/49/10/04/590491004.db2.gz MUGOVHVMBFVEQY-CQSZACIVSA-N 0 0 248.322 2.371 10 0 BEAERN CC(=O)c1cc(C(=O)OC2(C)CCC2)n(C)c1 ZINC000126899126 590492349 /nfs/dbraw/zinc/49/23/49/590492349.db2.gz WUUJBSXGLXNMDB-UHFFFAOYSA-N 0 0 235.283 2.327 10 0 BEAERN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1ccco1 ZINC000126959984 590515767 /nfs/dbraw/zinc/51/57/67/590515767.db2.gz ZWPDSJJCZPBPDA-IEBDPFPHSA-N 0 0 236.267 2.250 10 0 BEAERN CCCOCCOC(=O)C(C1CC1)C1CC1 ZINC000127089069 590561619 /nfs/dbraw/zinc/56/16/19/590561619.db2.gz HNCBPNFEKHMUSI-UHFFFAOYSA-N 0 0 226.316 2.392 10 0 BEAERN CC(C)OC(=O)N[C@H](C)Cc1ccco1 ZINC000127094604 590562009 /nfs/dbraw/zinc/56/20/09/590562009.db2.gz CXBUIVKWDGJNNH-SECBINFHSA-N 0 0 211.261 2.345 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(N(C)C)cc2)O1 ZINC000127198795 590589691 /nfs/dbraw/zinc/58/96/91/590589691.db2.gz JUEUTJVRZNECCU-GXFFZTMASA-N 0 0 248.326 2.259 10 0 BEAERN CC(C)[C@@H](C)OC(=O)Cc1cn2ccccc2n1 ZINC000127317456 590618078 /nfs/dbraw/zinc/61/80/78/590618078.db2.gz GGOZUTXDVQARDH-LLVKDONJSA-N 0 0 246.310 2.465 10 0 BEAERN CC(C)NC(=O)CCCC(=O)O[C@H](C)C(C)C ZINC000127471387 590678389 /nfs/dbraw/zinc/67/83/89/590678389.db2.gz XEIMIJPYTUHJMK-LLVKDONJSA-N 0 0 243.347 2.269 10 0 BEAERN C[C@H](CCn1cccn1)OC(=O)Cc1ccoc1 ZINC000127521050 590700603 /nfs/dbraw/zinc/70/06/03/590700603.db2.gz XRIGMOXZEWUYCU-LLVKDONJSA-N 0 0 248.282 2.041 10 0 BEAERN C[C@H]1CC(=O)CC[C@@H]1C(=O)OCC(F)(F)F ZINC000127536915 590701909 /nfs/dbraw/zinc/70/19/09/590701909.db2.gz PLNVXEFOJUWYSK-XPUUQOCRSA-N 0 0 238.205 2.097 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@@H]1CCCOC1 ZINC000127622342 590725838 /nfs/dbraw/zinc/72/58/38/590725838.db2.gz XZCXNFBTWTYKGA-VHSXEESVSA-N 0 0 200.278 2.001 10 0 BEAERN CCCNC(=S)N1C[C@@H](C)CC[C@@H]1C ZINC000127948410 590849527 /nfs/dbraw/zinc/84/95/27/590849527.db2.gz VZSXXYNLHZIFBX-UWVGGRQHSA-N 0 0 214.378 2.391 10 0 BEAERN C[C@H]1CC[C@H](C)N(C(=S)NC2CC2)C1 ZINC000127942609 590850086 /nfs/dbraw/zinc/85/00/86/590850086.db2.gz UTORUUZRTFKVRH-IUCAKERBSA-N 0 0 212.362 2.144 10 0 BEAERN C=COCCOC(=O)[C@@H](OC)c1ccccc1 ZINC000128373860 591012769 /nfs/dbraw/zinc/01/27/69/591012769.db2.gz ZWSOOOXXEBSIAM-LBPRGKRZSA-N 0 0 236.267 2.077 10 0 BEAERN C[C@H](O)c1ccn(Cc2cc(F)ccc2F)n1 ZINC000128664678 591147855 /nfs/dbraw/zinc/14/78/55/591147855.db2.gz USZDKACOGIMBHF-QMMMGPOBSA-N 0 0 238.237 2.263 10 0 BEAERN O=C(/C=C\c1ccco1)N1CCC[C@H]1CCCO ZINC000211222410 591148958 /nfs/dbraw/zinc/14/89/58/591148958.db2.gz OCINSCFFYDBOEH-KRZKBDHCSA-N 0 0 249.310 2.056 10 0 BEAERN C[C@H](O)c1ccn(C/C(Cl)=C/Cl)n1 ZINC000128707113 591152477 /nfs/dbraw/zinc/15/24/77/591152477.db2.gz COMRZGCNIXHIHI-BBEKVSQQSA-N 0 0 221.087 2.255 10 0 BEAERN C[C@H](O)c1ccn(CCc2ccccc2)n1 ZINC000128760810 591160776 /nfs/dbraw/zinc/16/07/76/591160776.db2.gz BGSPGQJZULXVCX-NSHDSACASA-N 0 0 216.284 2.179 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1[C@H]1CCCO1 ZINC000129352247 591283535 /nfs/dbraw/zinc/28/35/35/591283535.db2.gz XPHNGJNOQQLKSD-SECBINFHSA-N 0 0 209.293 2.042 10 0 BEAERN Cc1ccn(CCSC(F)(F)F)c(=O)c1 ZINC000129488518 591312596 /nfs/dbraw/zinc/31/25/96/591312596.db2.gz VOWYXONRUHMLQH-UHFFFAOYSA-N 0 0 237.246 2.410 10 0 BEAERN O=C(NC1C2CC3CC(C2)CC1C3)n1ccnc1 ZINC000129818802 591411656 /nfs/dbraw/zinc/41/16/56/591411656.db2.gz MMKMQUYXLZLMKC-UHFFFAOYSA-N 0 0 245.326 2.266 10 0 BEAERN CC(C)(CNC(=O)n1ccnc1)c1ccccc1 ZINC000129994313 591428232 /nfs/dbraw/zinc/42/82/32/591428232.db2.gz VNNWGMDNWABJGE-UHFFFAOYSA-N 0 0 243.310 2.419 10 0 BEAERN CC(C)CNC(=S)N1CC[C@@H](C(C)C)C1 ZINC000130077123 591433950 /nfs/dbraw/zinc/43/39/50/591433950.db2.gz KDWGPANGDNNHOX-LLVKDONJSA-N 0 0 228.405 2.495 10 0 BEAERN O=C(CC[C@H]1CCOC1)OCc1cncs1 ZINC000130078290 591434248 /nfs/dbraw/zinc/43/42/48/591434248.db2.gz KSAQWKHSABRLHY-VIFPVBQESA-N 0 0 241.312 2.003 10 0 BEAERN CC(C)NC(=S)N1CC[C@H](C(C)C)C1 ZINC000130078896 591434280 /nfs/dbraw/zinc/43/42/80/591434280.db2.gz QSUVFVRLAGBBAN-JTQLQIEISA-N 0 0 214.378 2.247 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)N2CCCC2)C1 ZINC000130198740 591447328 /nfs/dbraw/zinc/44/73/28/591447328.db2.gz ZTOLQXLBGUPQHE-LLVKDONJSA-N 0 0 210.321 2.180 10 0 BEAERN C[C@@H](O)c1ccc(N(C)Cc2ccncc2)nc1 ZINC000213226262 591455322 /nfs/dbraw/zinc/45/53/22/591455322.db2.gz BWCPWKVKJZNCGJ-LLVKDONJSA-N 0 0 243.310 2.166 10 0 BEAERN CC(=O)Cc1ccc(OC(=O)C(C)C)cc1 ZINC000213573451 591482864 /nfs/dbraw/zinc/48/28/64/591482864.db2.gz JLZDPNREBUKRNL-UHFFFAOYSA-N 0 0 220.268 2.380 10 0 BEAERN Cc1noc(NC(=O)c2cccc(F)n2)c1C ZINC000131300597 591586855 /nfs/dbraw/zinc/58/68/55/591586855.db2.gz NZSMHECESFIVGL-UHFFFAOYSA-N 0 0 235.218 2.078 10 0 BEAERN COC[C@@H](OC(=O)Cc1ccsc1)C1CC1 ZINC000131746645 591649950 /nfs/dbraw/zinc/64/99/50/591649950.db2.gz SNNAIDAZLQKZQK-LLVKDONJSA-N 0 0 240.324 2.259 10 0 BEAERN COC[C@H](OC(=O)C1CCCC1)C1CC1 ZINC000131775961 591655441 /nfs/dbraw/zinc/65/54/41/591655441.db2.gz PKAXIVITTGGCOM-NSHDSACASA-N 0 0 212.289 2.145 10 0 BEAERN CCC[C@H](C)C(=O)O[C@@H](COC)C1CC1 ZINC000131816629 591665835 /nfs/dbraw/zinc/66/58/35/591665835.db2.gz KGOHIYMUBSYISL-ONGXEEELSA-N 0 0 214.305 2.391 10 0 BEAERN CCC[C@H](C)C(=O)O[C@H](COC)C1CC1 ZINC000131817009 591665920 /nfs/dbraw/zinc/66/59/20/591665920.db2.gz KGOHIYMUBSYISL-GXSJLCMTSA-N 0 0 214.305 2.391 10 0 BEAERN CC[C@@H](C)C(=O)O[C@H](COC)C1CC1 ZINC000132376429 591705535 /nfs/dbraw/zinc/70/55/35/591705535.db2.gz CCOUPJOYJLEYFN-PSASIEDQSA-N 0 0 200.278 2.001 10 0 BEAERN O=C1OC(c2cccnc2)=N/C1=C/c1ccco1 ZINC000028307720 591700654 /nfs/dbraw/zinc/70/06/54/591700654.db2.gz CNHYXSHKDKXIIK-YRNVUSSQSA-N 0 0 240.218 2.019 10 0 BEAERN COC[C@@H](OC(=O)CCCSC)C1CC1 ZINC000132569948 591720616 /nfs/dbraw/zinc/72/06/16/591720616.db2.gz FVDILYULFNBXNF-SNVBAGLBSA-N 0 0 232.345 2.098 10 0 BEAERN Cc1cc(CN[C@@H](C)c2cncs2)no1 ZINC000132681560 591731024 /nfs/dbraw/zinc/73/10/24/591731024.db2.gz HJCKLGDMJPNRIL-QMMMGPOBSA-N 0 0 223.301 2.290 10 0 BEAERN C[C@H](CNC(=O)c1ncccc1N)C(C)(C)C ZINC000132855877 591743342 /nfs/dbraw/zinc/74/33/42/591743342.db2.gz HDAUZNBMSFAFJN-SECBINFHSA-N 0 0 235.331 2.076 10 0 BEAERN CCc1nc(Cn2ccc([C@H](C)O)n2)cs1 ZINC000133709524 591850101 /nfs/dbraw/zinc/85/01/01/591850101.db2.gz SNVHHBPGVUMEGD-QMMMGPOBSA-N 0 0 237.328 2.004 10 0 BEAERN CCCCCCC(=O)N1CCC(=O)[C@@H](C)C1 ZINC000133747349 591853457 /nfs/dbraw/zinc/85/34/57/591853457.db2.gz OGGLGIDWARVMGG-NSHDSACASA-N 0 0 225.332 2.394 10 0 BEAERN Cc1ccc(Cn2ccc([C@@H](C)O)n2)cc1 ZINC000133786257 591857659 /nfs/dbraw/zinc/85/76/59/591857659.db2.gz HJZGVEZNTHUEMR-LLVKDONJSA-N 0 0 216.284 2.293 10 0 BEAERN CSCCCC(=O)Nn1cnc2ccccc21 ZINC000134546292 591936114 /nfs/dbraw/zinc/93/61/14/591936114.db2.gz HZGDAWGGLSESNG-UHFFFAOYSA-N 0 0 249.339 2.250 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000134967551 591966492 /nfs/dbraw/zinc/96/64/92/591966492.db2.gz MTSKZFMLGIRFJQ-LLVKDONJSA-N 0 0 236.290 2.339 10 0 BEAERN Cc1nnc([C@@H](C)NCc2ccoc2)s1 ZINC000134999849 591968466 /nfs/dbraw/zinc/96/84/66/591968466.db2.gz ZSAGNYVBLLGFCI-SSDOTTSWSA-N 0 0 223.301 2.290 10 0 BEAERN CC(C)CONC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000135327529 592007694 /nfs/dbraw/zinc/00/76/94/592007694.db2.gz RSNGSNZFMJFXTK-OLZOCXBDSA-N 0 0 233.311 2.494 10 0 BEAERN Fc1cc(N2CCC[C@H](C(F)(F)F)C2)ncn1 ZINC000136902349 592152576 /nfs/dbraw/zinc/15/25/76/592152576.db2.gz YCJGKIPOKIRVMN-ZETCQYMHSA-N 0 0 249.211 2.394 10 0 BEAERN Cc1nc(Cl)cc(N[C@]2(C)CCCOC2)n1 ZINC000221178349 592399524 /nfs/dbraw/zinc/39/95/24/592399524.db2.gz VWCVMSPJQHUEGX-LLVKDONJSA-N 0 0 241.722 2.419 10 0 BEAERN CC(C)=CC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000300789378 592519938 /nfs/dbraw/zinc/51/99/38/592519938.db2.gz ZLPTWBBSKAMCKX-VIFPVBQESA-N 0 0 208.261 2.126 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1C(C)(F)F ZINC000300825801 592521039 /nfs/dbraw/zinc/52/10/39/592521039.db2.gz BMAHPLKMRJOXAF-UHFFFAOYSA-N 0 0 217.263 2.313 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1C1CCCCCCC1 ZINC000300837093 592521227 /nfs/dbraw/zinc/52/12/27/592521227.db2.gz IVOIQHMFWCLJOM-VXGBXAGGSA-N 0 0 225.332 2.267 10 0 BEAERN CCCOC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000302663847 592550942 /nfs/dbraw/zinc/55/09/42/592550942.db2.gz JUSPZBAPBMEZOB-WCQYABFASA-N 0 0 241.331 2.160 10 0 BEAERN Cc1csc2c1ncnc2N[C@@H](C)[C@H](C)O ZINC000336776729 635287813 /nfs/dbraw/zinc/28/78/13/635287813.db2.gz GLPPZHSYVXRBDS-YUMQZZPRSA-N 0 0 237.328 2.181 10 0 BEAERN Cc1csc2c1ncnc2N[C@H](C)[C@H](C)O ZINC000336776728 635287085 /nfs/dbraw/zinc/28/70/85/635287085.db2.gz GLPPZHSYVXRBDS-SFYZADRCSA-N 0 0 237.328 2.181 10 0 BEAERN COc1ccc(COC(=O)C2CC2)cc1 ZINC000032144148 635313289 /nfs/dbraw/zinc/31/32/89/635313289.db2.gz QZWMDUSOFFGMEN-UHFFFAOYSA-N 0 0 206.241 2.148 10 0 BEAERN CC(C)(C)C(=O)CCN1CCOCC1(C)C ZINC000054026678 635327210 /nfs/dbraw/zinc/32/72/10/635327210.db2.gz IAOWPYNBZSFNSH-UHFFFAOYSA-N 0 0 227.348 2.103 10 0 BEAERN CCCC[C@@H](CC)COC(=O)[C@@H](C)NC(C)=O ZINC000126061651 635480147 /nfs/dbraw/zinc/48/01/47/635480147.db2.gz XDJQDUAUBASPKK-ZYHUDNBSSA-N 0 0 243.347 2.271 10 0 BEAERN CCO/C=C1\Cc2c(cccc2F)C1=O ZINC000379712457 631227194 /nfs/dbraw/zinc/22/71/94/631227194.db2.gz OBKDTDUHCDFBSG-BQYQJAHWSA-N 0 0 206.216 2.485 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc2[nH]cnc2c1 ZINC000075559381 631267286 /nfs/dbraw/zinc/26/72/86/631267286.db2.gz JLCGRLQGBGGRRW-BXKDBHETSA-N 0 0 243.310 2.481 10 0 BEAERN COC(=O)[C@@H](CC(C)(C)C)NC1CCCC1 ZINC000061840435 631300130 /nfs/dbraw/zinc/30/01/30/631300130.db2.gz XQAJRAAXBXCAKM-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN Nc1cc(-c2ccc(F)c(Cl)c2)[nH]n1 ZINC000082533581 631404684 /nfs/dbraw/zinc/40/46/84/631404684.db2.gz MMASWEQTQGEGBC-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN CC[C@@H]1CCCN(C(=O)n2ccnc2)CC1 ZINC000083704938 631428883 /nfs/dbraw/zinc/42/88/83/631428883.db2.gz KEUHKBCWSRSZNC-LLVKDONJSA-N 0 0 221.304 2.363 10 0 BEAERN O=C(OCc1ccoc1)[C@H]1C[C@H]1C1CC1 ZINC000176107051 631568487 /nfs/dbraw/zinc/56/84/87/631568487.db2.gz ZETLGJZISGHUCJ-QWRGUYRKSA-N 0 0 206.241 2.369 10 0 BEAERN O=C(OCCc1cccnc1)[C@@H]1C[C@@H]1C1CC1 ZINC000176132277 631573853 /nfs/dbraw/zinc/57/38/53/631573853.db2.gz ZUMCMOGTDMQXSQ-CHWSQXEVSA-N 0 0 231.295 2.213 10 0 BEAERN Cc1nc(C)n(-c2cccc(Cl)c2C=O)n1 ZINC000041062839 631692758 /nfs/dbraw/zinc/69/27/58/631692758.db2.gz QKKVIRRUZWSVDO-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN CC[C@@H](C)c1noc([C@@H](N)CC2CC2)n1 ZINC000308887491 631718041 /nfs/dbraw/zinc/71/80/41/631718041.db2.gz XEQKMBLIOGVWEQ-APPZFPTMSA-N 0 0 209.293 2.383 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1C(C)(C)C ZINC000043375749 631776586 /nfs/dbraw/zinc/77/65/86/631776586.db2.gz DDUCGIOGDOXSJV-UHFFFAOYSA-N 0 0 209.337 2.498 10 0 BEAERN CC(C)Oc1ccc([C@H]2CC(=O)N2)cc1 ZINC000044257046 631813676 /nfs/dbraw/zinc/81/36/76/631813676.db2.gz YKHSIUXBRPTQCB-LLVKDONJSA-N 0 0 205.257 2.035 10 0 BEAERN COc1cccc([C@H]2CCCCC(=O)N2)c1 ZINC000039261424 632025175 /nfs/dbraw/zinc/02/51/75/632025175.db2.gz VJVYZECAVLMUCV-GFCCVEGCSA-N 0 0 219.284 2.427 10 0 BEAERN COCCc1ccnc(N[C@@H]2CC[C@H]2C)c1 ZINC000309624387 632587342 /nfs/dbraw/zinc/58/73/42/632587342.db2.gz GAIVQRHYIWLNLZ-ZYHUDNBSSA-N 0 0 220.316 2.481 10 0 BEAERN C[C@@H]1CCC[C@H](CNC(=O)n2ccnc2)C1 ZINC000235365663 632678117 /nfs/dbraw/zinc/67/81/17/632678117.db2.gz YTSCYNVZEMCKSP-MNOVXSKESA-N 0 0 221.304 2.267 10 0 BEAERN Cc1cc(CN[C@H]2COc3ccccc32)on1 ZINC000310513436 632752171 /nfs/dbraw/zinc/75/21/71/632752171.db2.gz KMYTZGCYNLNFKT-LBPRGKRZSA-N 0 0 230.267 2.206 10 0 BEAERN Cc1cccc(CNc2nccs2)n1 ZINC000048346470 635839254 /nfs/dbraw/zinc/83/92/54/635839254.db2.gz CNUVBHDPGYHCEX-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CCC/C=C\c1cc(N)nc(N2CCCC2)n1 ZINC000096747867 632908738 /nfs/dbraw/zinc/90/87/38/632908738.db2.gz GPTRPMUYKIIESE-DAXSKMNVSA-N 0 0 232.331 2.472 10 0 BEAERN Cc1nccn1-c1cc(C=O)ccc1C ZINC000164878718 633083064 /nfs/dbraw/zinc/08/30/64/633083064.db2.gz KFEAIKQDSJMRGF-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN O=C1C[C@@H](c2ccc(F)cc2C(F)(F)F)CN1 ZINC000167677534 633130959 /nfs/dbraw/zinc/13/09/59/633130959.db2.gz MCXIMJPJVPEKDH-ZCFIWIBFSA-N 0 0 247.191 2.448 10 0 BEAERN CC(C)(C)SCC(=O)OC[C@@H]1CCOC1 ZINC000129530622 636034752 /nfs/dbraw/zinc/03/47/52/636034752.db2.gz QIMXUWXZVHGROW-SECBINFHSA-N 0 0 232.345 2.098 10 0 BEAERN Cc1ccc(O)cc1C(=O)N[C@H](C)C(C)C ZINC000309449580 633918725 /nfs/dbraw/zinc/91/87/25/633918725.db2.gz NYZGBNRXWQCAJQ-SNVBAGLBSA-N 0 0 221.300 2.475 10 0 BEAERN CCNc1nc(C)c(C(=O)N[C@H]2C[C@@H]2C)s1 ZINC000309615710 633973907 /nfs/dbraw/zinc/97/39/07/633973907.db2.gz CTHWVAKEDBQOKA-XPUUQOCRSA-N 0 0 239.344 2.022 10 0 BEAERN CCOC[C@H](C)OC(=O)C[C@@H](C)SC ZINC000190788912 634193318 /nfs/dbraw/zinc/19/33/18/634193318.db2.gz RUOTYHNAWVGCSQ-DTWKUNHWSA-N 0 0 220.334 2.096 10 0 BEAERN CCOC[C@H](C)OC(=O)Cc1ccsc1 ZINC000190755406 634194196 /nfs/dbraw/zinc/19/41/96/634194196.db2.gz IFHVTXBHMFGEGU-VIFPVBQESA-N 0 0 228.313 2.259 10 0 BEAERN OCCCCCN1CC[C@@H](O)c2ccccc21 ZINC000123447257 634240758 /nfs/dbraw/zinc/24/07/58/634240758.db2.gz OJOPURYNPHPOEL-CQSZACIVSA-N 0 0 235.327 2.093 10 0 BEAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(F)F ZINC000220478920 634347005 /nfs/dbraw/zinc/34/70/05/634347005.db2.gz JSEMSDXCLHDOBW-RITPCOANSA-N 0 0 245.191 2.489 10 0 BEAERN FC(F)(F)c1c[nH]nc1Br ZINC000221655726 635136690 /nfs/dbraw/zinc/13/66/90/635136690.db2.gz LURICFKQKMFTLN-UHFFFAOYSA-N 0 0 214.972 2.191 10 0 BEAERN C/C=C\COC(=O)c1cccc(NC(C)=O)c1 ZINC000053908200 635176177 /nfs/dbraw/zinc/17/61/77/635176177.db2.gz YXUQWHZOGIXGRH-ARJAWSKDSA-N 0 0 233.267 2.378 10 0 BEAERN C[C@H]1CN(CCC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000054026299 635328143 /nfs/dbraw/zinc/32/81/43/635328143.db2.gz OSYCIOOOAKMOFD-QWRGUYRKSA-N 0 0 227.348 2.101 10 0 BEAERN CCOC[C@H](C)OC(=O)CC[C@@H]1CCCCO1 ZINC000190784133 635366573 /nfs/dbraw/zinc/36/65/73/635366573.db2.gz GWWVSFLBJPNYTQ-RYUDHWBXSA-N 0 0 244.331 2.304 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1N ZINC000233394490 635530638 /nfs/dbraw/zinc/53/06/38/635530638.db2.gz ULSJVCFUSXINNU-UFBFGSQYSA-N 0 0 236.290 2.326 10 0 BEAERN C[C@@H](OC(=O)c1cccs1)[C@@H]1CCOC1 ZINC000079176695 636255130 /nfs/dbraw/zinc/25/51/30/636255130.db2.gz CNIXLTSJNIFGHU-RKDXNWHRSA-N 0 0 226.297 2.330 10 0 BEAERN C[C@@H](OC(=O)c1cccs1)[C@H]1CCOC1 ZINC000079176697 636255646 /nfs/dbraw/zinc/25/56/46/636255646.db2.gz CNIXLTSJNIFGHU-BDAKNGLRSA-N 0 0 226.297 2.330 10 0 BEAERN CCOCC(=O)O[C@H](C)COc1ccccc1 ZINC000121714755 636369073 /nfs/dbraw/zinc/36/90/73/636369073.db2.gz ZNUQMAWQZPXMMC-LLVKDONJSA-N 0 0 238.283 2.034 10 0 BEAERN Cc1ccc(-c2ccc(C=O)s2)c(CO)n1 ZINC000669372557 636548265 /nfs/dbraw/zinc/54/82/65/636548265.db2.gz RTVKACHWVWYRHU-UHFFFAOYSA-N 0 0 233.292 2.423 10 0 BEAERN CC(C)(O)CCN1CC[C@H](O)c2ccccc21 ZINC000123594163 636700288 /nfs/dbraw/zinc/70/02/88/636700288.db2.gz QVQWKCSRJZPZSM-ZDUSSCGKSA-N 0 0 235.327 2.091 10 0 BEAERN C[C@@H](O)c1cccc(OCc2ncccn2)c1 ZINC000054460587 636710866 /nfs/dbraw/zinc/71/08/66/636710866.db2.gz QZJPBTLDBVSHDT-SNVBAGLBSA-N 0 0 230.267 2.109 10 0 BEAERN Cn1ncnc1-c1cc(Cl)cc(Cl)c1N ZINC000054498683 636742540 /nfs/dbraw/zinc/74/25/40/636742540.db2.gz JJQSQACEAVEUEX-UHFFFAOYSA-N 0 0 243.097 2.371 10 0 BEAERN Cc1cnn(CCC(=O)OC[C@H]2CC=CCC2)c1 ZINC000127684696 636770275 /nfs/dbraw/zinc/77/02/75/636770275.db2.gz RYTXQJKFLMBZEW-ZDUSSCGKSA-N 0 0 248.326 2.481 10 0 BEAERN Cc1c(Cl)cccc1C(=O)N[C@H](C)[C@@H](C)O ZINC000346384392 637095574 /nfs/dbraw/zinc/09/55/74/637095574.db2.gz FAUHOLAKGPALOP-RKDXNWHRSA-N 0 0 241.718 2.148 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)N[C@@H](C)[C@H](C)O ZINC000346396349 637105914 /nfs/dbraw/zinc/10/59/14/637105914.db2.gz JVKZPTJIUOTPHI-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000346453671 637142533 /nfs/dbraw/zinc/14/25/33/637142533.db2.gz FRWSZDMDMUMEKG-QWRGUYRKSA-N 0 0 243.306 2.339 10 0 BEAERN C[C@@H]1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1 ZINC000067804545 637160595 /nfs/dbraw/zinc/16/05/95/637160595.db2.gz ZFQXVNJEDGGMME-SSDOTTSWSA-N 0 0 243.314 2.197 10 0 BEAERN C[C@H]1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1 ZINC000067804546 637160846 /nfs/dbraw/zinc/16/08/46/637160846.db2.gz ZFQXVNJEDGGMME-ZETCQYMHSA-N 0 0 243.314 2.197 10 0 BEAERN CC(C)[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128672566 637217441 /nfs/dbraw/zinc/21/74/41/637217441.db2.gz JQHSQJHHJDJVNK-MRVPVSSYSA-N 0 0 211.261 2.112 10 0 BEAERN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128694278 637253391 /nfs/dbraw/zinc/25/33/91/637253391.db2.gz QPPUQEUKRGNAEG-KCJUWKMLSA-N 0 0 223.272 2.256 10 0 BEAERN CC[C@H](NC(=O)c1ccc(Cl)nn1)C(C)C ZINC000042591849 637291655 /nfs/dbraw/zinc/29/16/55/637291655.db2.gz VBEWSBPCVNSMDX-QMMMGPOBSA-N 0 0 241.722 2.294 10 0 BEAERN C[C@@H](NC(=O)Nc1ccccc1Cl)[C@H](C)O ZINC000348149921 638485594 /nfs/dbraw/zinc/48/55/94/638485594.db2.gz BNCVATYMLKMMDG-SFYZADRCSA-N 0 0 242.706 2.231 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000348138640 638493521 /nfs/dbraw/zinc/49/35/21/638493521.db2.gz IYQKYYLIOWVSEF-YUMQZZPRSA-N 0 0 242.706 2.231 10 0 BEAERN CCc1nnc(COc2cccc([C@@H](C)O)c2)o1 ZINC000035627701 639766178 /nfs/dbraw/zinc/76/61/78/639766178.db2.gz HAEYYPMKARTEDY-SECBINFHSA-N 0 0 248.282 2.264 10 0 BEAERN CCCSCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175225767 639853252 /nfs/dbraw/zinc/85/32/52/639853252.db2.gz ACEZXUFAEGQQBI-ZJUUUORDSA-N 0 0 232.345 2.098 10 0 BEAERN O=Cc1ccc(-c2ccc3c(c2)OCO3)o1 ZINC000035822802 639998590 /nfs/dbraw/zinc/99/85/90/639998590.db2.gz YHODXMIYGODNJG-UHFFFAOYSA-N 0 0 216.192 2.488 10 0 BEAERN CCC(=O)c1ccc(-n2ccc(C)n2)cn1 ZINC000164251265 640457715 /nfs/dbraw/zinc/45/77/15/640457715.db2.gz VZZPZIZGTJLVTE-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN C[C@@H]1C=CC[C@]2(CO)CCCC[C@@]12CO ZINC000222396774 640485145 /nfs/dbraw/zinc/48/51/45/640485145.db2.gz JLKVJWCLUADERS-FRRDWIJNSA-N 0 0 210.317 2.114 10 0 BEAERN CCc1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cl)n1 ZINC000166556384 640648150 /nfs/dbraw/zinc/64/81/50/640648150.db2.gz ANHXPUDQSQAXCC-XVKPBYJWSA-N 0 0 238.718 2.436 10 0 BEAERN Cc1cc(C(=O)O[C@@H](C)[C@H]2CCOC2)co1 ZINC000187446669 640711854 /nfs/dbraw/zinc/71/18/54/640711854.db2.gz KWCPBSBHRIKSGB-UWVGGRQHSA-N 0 0 224.256 2.170 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccc(F)nc2)o1 ZINC000226614581 640779850 /nfs/dbraw/zinc/77/98/50/640779850.db2.gz LVFBMPOGBJEKKH-QMMMGPOBSA-N 0 0 249.245 2.008 10 0 BEAERN CC[C@](C)(O)CN1CC[C@H](O)c2ccccc21 ZINC000168316352 640801835 /nfs/dbraw/zinc/80/18/35/640801835.db2.gz QPUDYXLZPGJOSX-KBPBESRZSA-N 0 0 235.327 2.091 10 0 BEAERN Cc1ccc(NCC2(C)COC2)c(C)n1 ZINC000227530639 640837259 /nfs/dbraw/zinc/83/72/59/640837259.db2.gz XQLLBFMRZQAQTF-UHFFFAOYSA-N 0 0 206.289 2.147 10 0 BEAERN CCCc1nc2cccc(C)n2c1C=O ZINC000228028150 640857019 /nfs/dbraw/zinc/85/70/19/640857019.db2.gz JBVVODUUVOFCIZ-UHFFFAOYSA-N 0 0 202.257 2.408 10 0 BEAERN C[C@H](NC(=O)c1ccc2c(c1)NCC2)C1CC1 ZINC000228553951 640881070 /nfs/dbraw/zinc/88/10/70/640881070.db2.gz AUPRXZFNGIRFLP-VIFPVBQESA-N 0 0 230.311 2.183 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)COc1ccc2c(c1)CCC2 ZINC000171068853 640953786 /nfs/dbraw/zinc/95/37/86/640953786.db2.gz VLDXVSYLEDEMGY-HZMBPMFUSA-N 0 0 245.322 2.079 10 0 BEAERN C[C@H]1CCCN1c1cncc(F)c1C=O ZINC000675063699 640958860 /nfs/dbraw/zinc/95/88/60/640958860.db2.gz KZPKKMYGSXKJJT-QMMMGPOBSA-N 0 0 208.236 2.022 10 0 BEAERN C[C@@H]1C[C@H](C)Cc2c1c[nH+]c(N)c2C(=O)[O-] ZINC000675064171 640960457 /nfs/dbraw/zinc/96/04/57/640960457.db2.gz WVDSWSMQAIGCMC-NKWVEPMBSA-N 0 0 220.272 2.048 10 0 BEAERN CCc1cccc2c1OC[C@H](C(C)=O)C2 ZINC000675064341 640961146 /nfs/dbraw/zinc/96/11/46/640961146.db2.gz YFYGEHAZDHGDBM-GFCCVEGCSA-N 0 0 204.269 2.389 10 0 BEAERN O=Cc1ccc(N2CCC23CCC3)cn1 ZINC000675063910 640961660 /nfs/dbraw/zinc/96/16/60/640961660.db2.gz TUACKLOMDMWTKI-UHFFFAOYSA-N 0 0 202.257 2.027 10 0 BEAERN COC[C@H](C)C(=O)OCCC1CCCC1 ZINC000171501061 640985462 /nfs/dbraw/zinc/98/54/62/640985462.db2.gz DTTLJLGMTRXUKB-JTQLQIEISA-N 0 0 214.305 2.392 10 0 BEAERN Cc1cc(C=O)cnc1-n1cc(Cl)cn1 ZINC000087718021 640989986 /nfs/dbraw/zinc/98/99/86/640989986.db2.gz NJDVUXYOJIVAIM-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN CCCCOC(=O)CSC1CCOCC1 ZINC000062053452 641017025 /nfs/dbraw/zinc/01/70/25/641017025.db2.gz FVAJLNAAXICXJN-UHFFFAOYSA-N 0 0 232.345 2.242 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NOCC(F)(F)F ZINC000230174972 641032055 /nfs/dbraw/zinc/03/20/55/641032055.db2.gz ABVGDELWWYVVBB-RQJHMYQMSA-N 0 0 225.210 2.033 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000230174449 641032149 /nfs/dbraw/zinc/03/21/49/641032149.db2.gz BXAUQOPWQMQQJI-KWCYVHTRSA-N 0 0 247.338 2.272 10 0 BEAERN CO[C@]1(C)CCCN(C(=O)N2CCCCC2)C1 ZINC000230257856 641044499 /nfs/dbraw/zinc/04/44/99/641044499.db2.gz SJLMABAWUJKHAJ-CYBMUJFWSA-N 0 0 240.347 2.093 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H](O)c2ccccc2)o1 ZINC000230642645 641075458 /nfs/dbraw/zinc/07/54/58/641075458.db2.gz NOIJKMFYYKJXSD-AAEUAGOBSA-N 0 0 246.310 2.367 10 0 BEAERN CC[C@]1(C(=O)[O-])CCC[N@H+](CC(C)C)C1 ZINC000062877543 641105453 /nfs/dbraw/zinc/10/54/53/641105453.db2.gz XETVGBANRZQJNN-LBPRGKRZSA-N 0 0 213.321 2.219 10 0 BEAERN OC[C@@H]1CCCC[C@H]1Nc1nccs1 ZINC000231327442 641163231 /nfs/dbraw/zinc/16/32/31/641163231.db2.gz GQXHAGNNECNROR-DTWKUNHWSA-N 0 0 212.318 2.106 10 0 BEAERN OC[C@H]1CCCC[C@@H]1Nc1nccs1 ZINC000231327439 641164615 /nfs/dbraw/zinc/16/46/15/641164615.db2.gz GQXHAGNNECNROR-BDAKNGLRSA-N 0 0 212.318 2.106 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)N[C@@H](C)[C@@H](C)O ZINC000346396347 641167634 /nfs/dbraw/zinc/16/76/34/641167634.db2.gz JVKZPTJIUOTPHI-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN CCONC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000152019997 641509944 /nfs/dbraw/zinc/50/99/44/641509944.db2.gz HRIBJGXIUXKLQL-VIFPVBQESA-N 0 0 240.278 2.446 10 0 BEAERN COC(=O)Nc1ccc(C(=O)NCC2CC2)cc1 ZINC000030793310 641529736 /nfs/dbraw/zinc/52/97/36/641529736.db2.gz AYWNXJURGONJQG-UHFFFAOYSA-N 0 0 248.282 2.005 10 0 BEAERN C[C@H](Cc1ccsc1)NC(=O)n1ccnc1 ZINC000049185710 641713075 /nfs/dbraw/zinc/71/30/75/641713075.db2.gz OQTQUXFBNIWGGC-SECBINFHSA-N 0 0 235.312 2.134 10 0 BEAERN CCN(C(=O)[C@@H]1CCCO[C@@H]1C)C(C)C ZINC000189148929 641791010 /nfs/dbraw/zinc/79/10/10/641791010.db2.gz NNEJQBJFURBPPR-GHMZBOCLSA-N 0 0 213.321 2.058 10 0 BEAERN CCN(C(=O)[C@@H]1CCCO[C@H]1C)C(C)C ZINC000189148960 641791835 /nfs/dbraw/zinc/79/18/35/641791835.db2.gz NNEJQBJFURBPPR-WDEREUQCSA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)c1[nH]nc(N)c1-c1ccncc1 ZINC000077297310 641843942 /nfs/dbraw/zinc/84/39/42/641843942.db2.gz DSIDUYMUZOLSJH-UHFFFAOYSA-N 0 0 202.261 2.177 10 0 BEAERN CCOC[C@H](C)OC(=O)C1(CCOC)CCC1 ZINC000190764141 641885037 /nfs/dbraw/zinc/88/50/37/641885037.db2.gz ARDGXHYXSUGQRW-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@H]2CCCCN2)n1 ZINC000232865550 641885302 /nfs/dbraw/zinc/88/53/02/641885302.db2.gz XDVIHNUBLITVMQ-DTWKUNHWSA-N 0 0 221.304 2.398 10 0 BEAERN CC/C=C(\C)C(=O)O[C@@H](C)COCC ZINC000190783971 641886866 /nfs/dbraw/zinc/88/68/66/641886866.db2.gz BLMOTHVXWAFETG-PCYYEKQGSA-N 0 0 200.278 2.311 10 0 BEAERN C=C[C@@](C)(CCOC)COC(=O)[C@H](C)COC ZINC000191170724 641905139 /nfs/dbraw/zinc/90/51/39/641905139.db2.gz CUGIHJSCMJVHNO-YPMHNXCESA-N 0 0 244.331 2.041 10 0 BEAERN CCCCCCC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191858363 641948836 /nfs/dbraw/zinc/94/88/36/641948836.db2.gz MFKGMDXIXTYIEN-NEPJUHHUSA-N 0 0 227.348 2.044 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCCC(F)(F)F ZINC000192105998 641961325 /nfs/dbraw/zinc/96/13/25/641961325.db2.gz CIBCCDQAVOOJMP-SFYZADRCSA-N 0 0 240.221 2.297 10 0 BEAERN COCCCCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192108415 641963071 /nfs/dbraw/zinc/96/30/71/641963071.db2.gz HOXBFRYOINXTJN-NEPJUHHUSA-N 0 0 244.331 2.161 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCCOC(C)(C)C ZINC000192108233 641963761 /nfs/dbraw/zinc/96/37/61/641963761.db2.gz DVSORZKSUJBABN-MNOVXSKESA-N 0 0 244.331 2.160 10 0 BEAERN O=C(/C=C\c1cccs1)NC[C@@H]1CCCO1 ZINC000033455769 642162596 /nfs/dbraw/zinc/16/25/96/642162596.db2.gz XBRMYHOFSPOFPL-OMMCCPJFSA-N 0 0 237.324 2.057 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000050920614 642369415 /nfs/dbraw/zinc/36/94/15/642369415.db2.gz HSIWEELJPWBDJR-ZDUSSCGKSA-N 0 0 249.310 2.044 10 0 BEAERN CCCC(=O)[C@H](CC(=O)C(C)(C)C)C(=O)OC ZINC000038264277 642441852 /nfs/dbraw/zinc/44/18/52/642441852.db2.gz XBIZPLIMCCSHAZ-VIFPVBQESA-N 0 0 242.315 2.150 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)C(C)(Cl)Cl ZINC000308167588 642477275 /nfs/dbraw/zinc/47/72/75/642477275.db2.gz AIQASAKPJDBQLB-RQJHMYQMSA-N 0 0 224.131 2.485 10 0 BEAERN CSCCCC(=O)OC[C@H]1C[C@@H]1C ZINC000308166776 642477042 /nfs/dbraw/zinc/47/70/42/642477042.db2.gz AAABCNJYSZOXPL-DTWKUNHWSA-N 0 0 202.319 2.329 10 0 BEAERN CCCCCCC(=O)NC[C@@H](O)C(C)(C)C ZINC000305171985 642645222 /nfs/dbraw/zinc/64/52/22/642645222.db2.gz ULRADKPGPNXVJP-LLVKDONJSA-N 0 0 229.364 2.480 10 0 BEAERN C[C@@H](OC(=O)C1CCCC1)[C@H]1CCOC1 ZINC000175267441 642667134 /nfs/dbraw/zinc/66/71/34/642667134.db2.gz HUKJIAIYROXJIX-KOLCDFICSA-N 0 0 212.289 2.145 10 0 BEAERN Cc1ccoc1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175288676 642670769 /nfs/dbraw/zinc/67/07/69/642670769.db2.gz UOCBXAUKRSSEHC-UWVGGRQHSA-N 0 0 224.256 2.170 10 0 BEAERN C[C@H](OC(=O)CC(C)(C)C)[C@H]1CCOC1 ZINC000175299518 642672663 /nfs/dbraw/zinc/67/26/63/642672663.db2.gz KDZOAVIKPAKNPX-UWVGGRQHSA-N 0 0 214.305 2.391 10 0 BEAERN O=C(N[C@H]1CCCC[C@H]1CO)OC1CCCC1 ZINC000306093287 642722755 /nfs/dbraw/zinc/72/27/55/642722755.db2.gz KTPZLLZTASNGNV-JQWIXIFHSA-N 0 0 241.331 2.206 10 0 BEAERN C[C@H]1C[C@@]2(C[NH2+]C[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC000068949446 642815091 /nfs/dbraw/zinc/81/50/91/642815091.db2.gz QNYODWOTCZZRDB-BREBYQMCSA-N 0 0 225.332 2.123 10 0 BEAERN Cc1nnc(-c2ccc(C=O)s2)s1 ZINC000238546565 642816943 /nfs/dbraw/zinc/81/69/43/642816943.db2.gz ABNVUAMDUJQUQQ-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000075991898 642933815 /nfs/dbraw/zinc/93/38/15/642933815.db2.gz UYECARDCPCPLCP-STQMWFEESA-N 0 0 233.311 2.033 10 0 BEAERN CCC[C@@H](N)c1nc(-c2ccoc2)no1 ZINC000069946040 642941796 /nfs/dbraw/zinc/94/17/96/642941796.db2.gz GVVDCHIVJMFHHO-MRVPVSSYSA-N 0 0 207.233 2.130 10 0 BEAERN C[C@@H]1CN(C(=O)C=C2CCCC2)C[C@@H](C)O1 ZINC000243476155 643025908 /nfs/dbraw/zinc/02/59/08/643025908.db2.gz NLXNLXYOPHMCDG-GHMZBOCLSA-N 0 0 223.316 2.123 10 0 BEAERN C[C@H](OC(=O)Cc1cccs1)[C@@H]1CCOC1 ZINC000175256646 643071658 /nfs/dbraw/zinc/07/16/58/643071658.db2.gz LIDMTETVQPWBSE-VHSXEESVSA-N 0 0 240.324 2.259 10 0 BEAERN C[C@H](OC(=O)C1CCCC1)[C@@H]1CCOC1 ZINC000175267392 643079113 /nfs/dbraw/zinc/07/91/13/643079113.db2.gz HUKJIAIYROXJIX-GXSJLCMTSA-N 0 0 212.289 2.145 10 0 BEAERN CCC(C)(C)NC(=S)N[C@@H]1C[C@@H]1C ZINC000306668721 643209884 /nfs/dbraw/zinc/20/98/84/643209884.db2.gz WNRUORJIQOYMBY-JGVFFNPUSA-N 0 0 200.351 2.048 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC[C@@H](C)CC2 ZINC000227514665 643226292 /nfs/dbraw/zinc/22/62/92/643226292.db2.gz FSEJSGQGNCKLCK-SCVCMEIPSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@@H]1C[C@H]1Nc1c2ccccc2nnc1C(=O)[O-] ZINC000081667665 643247000 /nfs/dbraw/zinc/24/70/00/643247000.db2.gz FVMFWXYSLXZTCL-GMSGAONNSA-N 0 0 243.266 2.148 10 0 BEAERN CCc1cc(NC(=O)CSC(C)(C)C)n[nH]1 ZINC000120693649 643267627 /nfs/dbraw/zinc/26/76/27/643267627.db2.gz AYEDYVOFAFZJDK-UHFFFAOYSA-N 0 0 241.360 2.442 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1c1nc(Cl)cs1 ZINC000306956625 643300398 /nfs/dbraw/zinc/30/03/98/643300398.db2.gz RVQLOASDDWOQDT-NKWVEPMBSA-N 0 0 232.736 2.146 10 0 BEAERN C#CCCCCCOC(=O)[C@@H](C)COC ZINC000185337554 643291604 /nfs/dbraw/zinc/29/16/04/643291604.db2.gz MNDKEHRFHNYAAW-NSHDSACASA-N 0 0 212.289 2.006 10 0 BEAERN c1coc([C@H]2CCO[C@@]3(CCSC3)N2)c1 ZINC000757151730 643343511 /nfs/dbraw/zinc/34/35/11/643343511.db2.gz RHGAARVGDQFPST-MWLCHTKSSA-N 0 0 225.313 2.164 10 0 BEAERN Cc1cc(C[C@H]2COCC2=O)ccc1Cl ZINC000757155382 643346725 /nfs/dbraw/zinc/34/67/25/643346725.db2.gz APLHFLFUUWBFOZ-JTQLQIEISA-N 0 0 224.687 2.406 10 0 BEAERN CC(=O)[C@H]1CCCN(c2ncccc2F)C1 ZINC000082644886 643361360 /nfs/dbraw/zinc/36/13/60/643361360.db2.gz YTVHUAVBEZTTAY-JTQLQIEISA-N 0 0 222.263 2.026 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000082644913 643361918 /nfs/dbraw/zinc/36/19/18/643361918.db2.gz UYLKXXPAMJDWNX-GFCCVEGCSA-N 0 0 218.300 2.195 10 0 BEAERN C/C=C/C(=O)N[C@H](C)COCc1ccccc1 ZINC000307361756 643456005 /nfs/dbraw/zinc/45/60/05/643456005.db2.gz HUXDJQHWVSZIEB-QDBLGGKGSA-N 0 0 233.311 2.284 10 0 BEAERN CCc1nccn1-c1c(F)cccc1C=O ZINC000234143672 643518456 /nfs/dbraw/zinc/51/84/56/643518456.db2.gz NASGTOGJVXTNBJ-UHFFFAOYSA-N 0 0 218.231 2.386 10 0 BEAERN Cn1nc(-c2ccc(F)c(Cl)c2)cc1N ZINC000084016600 643547999 /nfs/dbraw/zinc/54/79/99/643547999.db2.gz VMLMBXZUZVZFAI-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN C[C@@H](NC(=O)c1ccc2ccccc2c1)[C@H](C)O ZINC000346453669 643570648 /nfs/dbraw/zinc/57/06/48/643570648.db2.gz FRWSZDMDMUMEKG-MNOVXSKESA-N 0 0 243.306 2.339 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)Nc1cccc(Cl)c1 ZINC000348153579 643587203 /nfs/dbraw/zinc/58/72/03/643587203.db2.gz IWAIPUMYKHQNNF-HTQZYQBOSA-N 0 0 242.706 2.231 10 0 BEAERN FC(F)(F)c1nc2n(n1)[C@@H]1CCC[C@H]1CN2 ZINC000236115988 643594633 /nfs/dbraw/zinc/59/46/33/643594633.db2.gz YKEJUWCCRISHOT-NTSWFWBYSA-N 0 0 232.209 2.064 10 0 BEAERN COc1ccc(Br)c2c1CCN2 ZINC000083869022 643626587 /nfs/dbraw/zinc/62/65/87/643626587.db2.gz PWIAYPKRMPMPMT-UHFFFAOYSA-N 0 0 228.089 2.426 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1cccc(Cl)n1 ZINC000084239377 643654216 /nfs/dbraw/zinc/65/42/16/643654216.db2.gz JRAYRAATGALYRT-IUCAKERBSA-N 0 0 226.707 2.308 10 0 BEAERN Nc1nc(Cl)nc(-c2ccoc2Cl)n1 ZINC000236369261 643655800 /nfs/dbraw/zinc/65/58/00/643655800.db2.gz LUUVYRMFPAWRFT-UHFFFAOYSA-N 0 0 231.042 2.021 10 0 BEAERN COc1cc(C)c(NCc2c[nH]cn2)cc1OC ZINC000054764656 643674511 /nfs/dbraw/zinc/67/45/11/643674511.db2.gz GOXYJICYYKECAD-UHFFFAOYSA-N 0 0 247.298 2.347 10 0 BEAERN COCCc1ccc(OC(=O)C(C)C)cc1 ZINC000119267491 643695140 /nfs/dbraw/zinc/69/51/40/643695140.db2.gz LEMWTSCEJMDLLB-UHFFFAOYSA-N 0 0 222.284 2.437 10 0 BEAERN COC(=O)/C=C/c1ccc(/C=C\C(=O)OC)cc1 ZINC000085483098 643755333 /nfs/dbraw/zinc/75/53/33/643755333.db2.gz IFNSXAJHSAPYLB-FKJILZIQSA-N 0 0 246.262 2.059 10 0 BEAERN CCCCOCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192203203 644136151 /nfs/dbraw/zinc/13/61/51/644136151.db2.gz RSTUPVYDDQHNFH-NEPJUHHUSA-N 0 0 244.331 2.161 10 0 BEAERN CC[C@H](C)CC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000192243967 644139913 /nfs/dbraw/zinc/13/99/13/644139913.db2.gz PXEYAZWQHHTPGT-GARJFASQSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1occc1COC(=O)[C@H]1CCCO[C@@H]1C ZINC000192232730 644140236 /nfs/dbraw/zinc/14/02/36/644140236.db2.gz UXIMNOHXSZKKSC-PWSUYJOCSA-N 0 0 238.283 2.446 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCC1(C#N)CCC1 ZINC000192297778 644142426 /nfs/dbraw/zinc/14/24/26/644142426.db2.gz XMDVGDLLOGGHEB-MNOVXSKESA-N 0 0 237.299 2.039 10 0 BEAERN CCC[C@@H](N)c1nc(-c2ccoc2C)no1 ZINC000074047164 644164091 /nfs/dbraw/zinc/16/40/91/644164091.db2.gz PILQOXRUAZVOQB-SECBINFHSA-N 0 0 221.260 2.438 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@H](c2cccs2)[NH2+]1 ZINC000074148766 644271677 /nfs/dbraw/zinc/27/16/77/644271677.db2.gz SXTZUMYWXCTLPU-SFYZADRCSA-N 0 0 211.286 2.016 10 0 BEAERN CO[C@@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000194564949 644328385 /nfs/dbraw/zinc/32/83/85/644328385.db2.gz WKVUNPLOWKCHIK-YUMQZZPRSA-N 0 0 214.286 2.387 10 0 BEAERN CCc1c(O)nc(/C=C\c2ccccc2)oc1=O ZINC000083313636 644403399 /nfs/dbraw/zinc/40/33/99/644403399.db2.gz IZNDBAAJWVWUOG-HJWRWDBZSA-N 0 0 243.262 2.473 10 0 BEAERN Cc1cscc1-c1nn(C)c(N)c1C ZINC000086815721 644471923 /nfs/dbraw/zinc/47/19/23/644471923.db2.gz USMKETFJTQJFCR-UHFFFAOYSA-N 0 0 207.302 2.348 10 0 BEAERN C/C=C/C(=O)N[C@H]1CCOc2ccccc21 ZINC000088318373 644518327 /nfs/dbraw/zinc/51/83/27/644518327.db2.gz RUSCJKQQNDDTLG-DGXRNCNBSA-N 0 0 217.268 2.203 10 0 BEAERN CCc1cc(N2CCC[C@@H](C(C)=O)C2)nc(C)n1 ZINC000088760032 644527383 /nfs/dbraw/zinc/52/73/83/644527383.db2.gz FNLLGBXTKMFGJN-GFCCVEGCSA-N 0 0 247.342 2.153 10 0 BEAERN C[C@@H](OC(=O)[C@H]1C[C@H]1C)C1CCOCC1 ZINC000246393574 644584661 /nfs/dbraw/zinc/58/46/61/644584661.db2.gz SOGLTSUCFVZRAP-KKZNHRDASA-N 0 0 212.289 2.001 10 0 BEAERN C[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000246409411 644585984 /nfs/dbraw/zinc/58/59/84/644585984.db2.gz UOQILMHYYVTZAM-TVYUQYBPSA-N 0 0 238.327 2.391 10 0 BEAERN CC(C)[C@H](C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000247081838 644620334 /nfs/dbraw/zinc/62/03/34/644620334.db2.gz QLJQFYFQMMKUSA-AXFHLTTASA-N 0 0 214.305 2.247 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000248227668 644670671 /nfs/dbraw/zinc/67/06/71/644670671.db2.gz PZHVOJUCSZUZQP-CKYFFXLPSA-N 0 0 235.283 2.253 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC[C@H]2CCC(C)(C)O2)O1 ZINC000248802762 644699954 /nfs/dbraw/zinc/69/99/54/644699954.db2.gz AMYDXUOSQNYQCV-GMTAPVOTSA-N 0 0 242.315 2.055 10 0 BEAERN CC(C)[C@H]([NH3+])c1cc(F)c([O-])c(F)c1 ZINC000095685702 644764455 /nfs/dbraw/zinc/76/44/55/644764455.db2.gz AEPONQWUNRTVOK-VIFPVBQESA-N 0 0 201.216 2.326 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)[C@H]1C[C@@H]1C ZINC000103708328 644859865 /nfs/dbraw/zinc/85/98/65/644859865.db2.gz LMTHSRWUMHKUFC-UWVGGRQHSA-N 0 0 248.278 2.343 10 0 BEAERN COC(=O)c1cc(C)ccc1OC(=O)[C@@H]1C[C@@H]1C ZINC000103708323 644860190 /nfs/dbraw/zinc/86/01/90/644860190.db2.gz LMTHSRWUMHKUFC-VHSXEESVSA-N 0 0 248.278 2.343 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@@H](N)CC2CC2)n1 ZINC000304340524 644894006 /nfs/dbraw/zinc/89/40/06/644894006.db2.gz IXKWZAUPLYLTMG-IUCAKERBSA-N 0 0 221.304 2.383 10 0 BEAERN CC(=O)[C@@H](OC(=O)c1ccccc1O)C(C)C ZINC000115327814 645620869 /nfs/dbraw/zinc/62/08/69/645620869.db2.gz UNUFIPRBBZKAKW-LBPRGKRZSA-N 0 0 236.267 2.163 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2n[nH]c3ccccc32)O1 ZINC000127785719 645829274 /nfs/dbraw/zinc/82/92/74/645829274.db2.gz SPRUGFUWDYJUSO-GZMMTYOYSA-N 0 0 245.282 2.069 10 0 BEAERN O=c1ccccn1CCSC(F)(F)F ZINC000123860074 645921504 /nfs/dbraw/zinc/92/15/04/645921504.db2.gz ARXFUWJGGLXMQL-UHFFFAOYSA-N 0 0 223.219 2.101 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@H]1CCc2ccccc21 ZINC000034066785 646167830 /nfs/dbraw/zinc/16/78/30/646167830.db2.gz QSYFKNULUJGLOG-MFKMUULPSA-N 0 0 233.311 2.215 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC(C)C)C1 ZINC000707786795 712178712 /nfs/dbraw/zinc/17/87/12/712178712.db2.gz RKERDRWRCWSSFO-DGCLKSJQSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000707777535 712178182 /nfs/dbraw/zinc/17/81/82/712178182.db2.gz YNOCVJNCQJFLJM-NSHDSACASA-N 0 0 223.316 2.004 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC000707845715 712180051 /nfs/dbraw/zinc/18/00/51/712180051.db2.gz JNBDLGUOIFHEEI-SCZZXKLOSA-N 0 0 247.285 2.105 10 0 BEAERN COC(=O)C(F)(F)Cc1ccccc1 ZINC000036467013 712458452 /nfs/dbraw/zinc/45/84/52/712458452.db2.gz WSIXROKHAGVIKQ-UHFFFAOYSA-N 0 0 200.184 2.037 10 0 BEAERN CCCc1nccnc1NC[C@H]1C[C@H](OC)C1 ZINC000714626269 712494491 /nfs/dbraw/zinc/49/44/91/712494491.db2.gz HPCWEWIEOALIOW-XYPYZODXSA-N 0 0 235.331 2.266 10 0 BEAERN C[C@H](Nc1cccc(Cl)n1)c1cn(C)nn1 ZINC000715892589 712540187 /nfs/dbraw/zinc/54/01/87/712540187.db2.gz NBZIOPIUVDUUEK-ZETCQYMHSA-N 0 0 237.694 2.037 10 0 BEAERN CSCCCCNC(=S)NCC(C)C ZINC000124501471 712626344 /nfs/dbraw/zinc/62/63/44/712626344.db2.gz DMYUZOSZUZEUGC-UHFFFAOYSA-N 0 0 234.434 2.250 10 0 BEAERN Cc1nccn1CCSC(F)(F)F ZINC000123834184 712694316 /nfs/dbraw/zinc/69/43/16/712694316.db2.gz PEEZBNZVAGSQKY-UHFFFAOYSA-N 0 0 210.224 2.445 10 0 BEAERN CSC1CC(NC(=O)c2cc(C)co2)C1 ZINC000718487136 712765549 /nfs/dbraw/zinc/76/55/49/712765549.db2.gz CMEOYGVVQXKITG-UHFFFAOYSA-N 0 0 225.313 2.212 10 0 BEAERN CC1(C)C[C@@H]1c1noc(-c2cnc(N)s2)n1 ZINC000719957755 712826822 /nfs/dbraw/zinc/82/68/22/712826822.db2.gz PXIPIBVBHQUVCY-RXMQYKEDSA-N 0 0 236.300 2.289 10 0 BEAERN C[C@H](Nc1ncccc1Cl)c1cn(C)nn1 ZINC000720584370 712854491 /nfs/dbraw/zinc/85/44/91/712854491.db2.gz QYMOBPGZXPRFKG-ZETCQYMHSA-N 0 0 237.694 2.037 10 0 BEAERN CCOC1CC2(C[C@H]2NC(=O)OC(C)C)C1 ZINC000721226977 712899580 /nfs/dbraw/zinc/89/95/80/712899580.db2.gz WZSCGKYQFLXXPI-SQLBVSGCSA-N 0 0 227.304 2.079 10 0 BEAERN CCC1CCC(NC(=O)C[C@@H](N)C(F)F)CC1 ZINC000724758034 710746878 /nfs/dbraw/zinc/74/68/78/710746878.db2.gz JBSSMPNEWQSJHO-UDNWOFFPSA-N 0 0 248.317 2.054 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@@H](N)CC(F)F)n1 ZINC000380584025 712901675 /nfs/dbraw/zinc/90/16/75/712901675.db2.gz QOTHROXVPOIPDS-RITPCOANSA-N 0 0 231.246 2.238 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@@H](N)CC(F)F)n1 ZINC000380584030 712901698 /nfs/dbraw/zinc/90/16/98/712901698.db2.gz QOTHROXVPOIPDS-WDSKDSINSA-N 0 0 231.246 2.238 10 0 BEAERN C[C@H](OC(=O)CC1CCC1)[C@@H]1CCOC1 ZINC000175273967 711448636 /nfs/dbraw/zinc/44/86/36/711448636.db2.gz FXPCBAWITFOPKG-GXSJLCMTSA-N 0 0 212.289 2.145 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H]1CNc2ccccc21 ZINC000134007293 711478179 /nfs/dbraw/zinc/47/81/79/711478179.db2.gz OVXSAJVFHCDQFJ-PWSUYJOCSA-N 0 0 232.327 2.356 10 0 BEAERN Cc1cnc(CN[C@@H]2CCn3ccnc32)c(C)c1 ZINC000724049344 711558131 /nfs/dbraw/zinc/55/81/31/711558131.db2.gz RLWWEARLWBKSIO-GFCCVEGCSA-N 0 0 242.326 2.130 10 0 BEAERN CC(C)=CC(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000724280950 711573912 /nfs/dbraw/zinc/57/39/12/711573912.db2.gz GENJMYZLEZGWAP-QWRGUYRKSA-N 0 0 225.332 2.272 10 0 BEAERN CC(C)(C)[C@@H](O)CNc1cc(C(F)F)ncn1 ZINC000724660699 711606683 /nfs/dbraw/zinc/60/66/83/711606683.db2.gz RPPDTMXGQMBRJL-QMMMGPOBSA-N 0 0 245.273 2.233 10 0 BEAERN CCCn1cc([C@H](O)c2ccccc2)cn1 ZINC000043468500 711815894 /nfs/dbraw/zinc/81/58/94/711815894.db2.gz ZYMSNYSATRDQHW-CYBMUJFWSA-N 0 0 216.284 2.375 10 0 BEAERN Cc1noc(CN[C@@H]2CCc3c2cccc3F)n1 ZINC000211141711 711850010 /nfs/dbraw/zinc/85/00/10/711850010.db2.gz NFDCCIXKHWIULU-GFCCVEGCSA-N 0 0 247.273 2.294 10 0 BEAERN Cc1cc(F)ccc1Cn1ccc([C@@H](C)O)n1 ZINC000185469473 711906412 /nfs/dbraw/zinc/90/64/12/711906412.db2.gz LRIBFLBVGMNDMQ-SNVBAGLBSA-N 0 0 234.274 2.432 10 0 BEAERN Cc1cc(C#N)ccc1Cn1ccc([C@@H](C)O)n1 ZINC000186005297 711909327 /nfs/dbraw/zinc/90/93/27/711909327.db2.gz WLDXXMVHMWOCMO-LLVKDONJSA-N 0 0 241.294 2.165 10 0 BEAERN CCN(C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000132679542 711978092 /nfs/dbraw/zinc/97/80/92/711978092.db2.gz MUNGYJICFNVTEU-GFCCVEGCSA-N 0 0 240.347 2.093 10 0 BEAERN CC1CC(C(=O)Nc2ccc(F)nc2F)C1 ZINC000700794095 712005404 /nfs/dbraw/zinc/00/54/04/712005404.db2.gz LFWGNIPPSZQQFE-UHFFFAOYSA-N 0 0 226.226 2.344 10 0 BEAERN O=C(N1CCCCC1)N1CCC(F)CC1 ZINC000701615699 712026175 /nfs/dbraw/zinc/02/61/75/712026175.db2.gz FVCZFSJSFHGZSY-UHFFFAOYSA-N 0 0 214.284 2.026 10 0 BEAERN CC(C)c1cnc(CN2CC[C@H](CCO)C2)o1 ZINC000702432383 712052898 /nfs/dbraw/zinc/05/28/98/712052898.db2.gz MHQNGYOMNCMEEO-LLVKDONJSA-N 0 0 238.331 2.002 10 0 BEAERN COc1cc(COc2cccc([C@@H](C)O)c2)on1 ZINC000705592857 712131819 /nfs/dbraw/zinc/13/18/19/712131819.db2.gz WZDWDHBCBZBAQU-SECBINFHSA-N 0 0 249.266 2.316 10 0 BEAERN CCCCNC(=S)N1C[C@H]2CCC[C@H]21 ZINC000706742221 712153036 /nfs/dbraw/zinc/15/30/36/712153036.db2.gz JKTSEQQGGGXDFW-NXEZZACHSA-N 0 0 212.362 2.145 10 0 BEAERN CSC1CC(NC(=O)OCC(F)(F)F)C1 ZINC000707119957 712165518 /nfs/dbraw/zinc/16/55/18/712165518.db2.gz GCBNBUIGAAAMRH-UHFFFAOYSA-N 0 0 243.250 2.169 10 0 BEAERN CCCCNC(=S)NC1CC(SC)C1 ZINC000707219357 712166822 /nfs/dbraw/zinc/16/68/22/712166822.db2.gz IENUQLPCILQJIF-UHFFFAOYSA-N 0 0 232.418 2.145 10 0 BEAERN CCC[C@H](C)NC(=O)NC1CC(SC)C1 ZINC000707273500 712168078 /nfs/dbraw/zinc/16/80/78/712168078.db2.gz CLLJSEMXEFZYFM-IDKOKCKLSA-N 0 0 230.377 2.368 10 0 BEAERN CC[N@H+](C[C@H](C)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000707952704 712174150 /nfs/dbraw/zinc/17/41/50/712174150.db2.gz XMQUSJNOLMRGTL-VHSXEESVSA-N 0 0 215.337 2.464 10 0 BEAERN CC(=O)C1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000707766355 712177769 /nfs/dbraw/zinc/17/77/69/712177769.db2.gz DCKQEIAZWAZOEC-ZWNOBZJWSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000707787098 712178612 /nfs/dbraw/zinc/17/86/12/712178612.db2.gz SKVPWXHWDCJYLI-PWSUYJOCSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000707806035 712179368 /nfs/dbraw/zinc/17/93/68/712179368.db2.gz KSHKCQKWGGFYMP-REWJHTLYSA-N 0 0 249.354 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC000707833926 712179829 /nfs/dbraw/zinc/17/98/29/712179829.db2.gz IVUUYMDKEJPKIP-VIFPVBQESA-N 0 0 247.285 2.105 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000707858783 712180424 /nfs/dbraw/zinc/18/04/24/712180424.db2.gz LFVKNYBNQVSHIW-GFCCVEGCSA-N 0 0 249.285 2.267 10 0 BEAERN COc1cc(C)nc(NC2CC(SC)C2)n1 ZINC000708259606 712184961 /nfs/dbraw/zinc/18/49/61/712184961.db2.gz ZPVDKZPREYHZDV-UHFFFAOYSA-N 0 0 239.344 2.100 10 0 BEAERN CSC1CC(Nc2nccn3nc(C)cc23)C1 ZINC000708282768 712185339 /nfs/dbraw/zinc/18/53/39/712185339.db2.gz NBMYKXRYKLAOJW-UHFFFAOYSA-N 0 0 248.355 2.344 10 0 BEAERN C[C@@H]1CN(c2nccc3ccccc32)C[C@H]1CO ZINC000709162256 712211356 /nfs/dbraw/zinc/21/13/56/712211356.db2.gz VNEVSCGSALOXLD-YPMHNXCESA-N 0 0 242.322 2.299 10 0 BEAERN Cc1cc(N)cnc1-c1scc2c1OCCO2 ZINC000709416272 712221480 /nfs/dbraw/zinc/22/14/80/712221480.db2.gz LLSLGECTPATNIJ-UHFFFAOYSA-N 0 0 248.307 2.472 10 0 BEAERN CC[C@H](CC(=O)N[C@@H](C)[C@H](C)O)C(C)(C)C ZINC000711141886 712286536 /nfs/dbraw/zinc/28/65/36/712286536.db2.gz LJNSTPLWHBIEOD-GARJFASQSA-N 0 0 229.364 2.334 10 0 BEAERN O=C(NC[C@@H]1C=CCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000711758899 712326672 /nfs/dbraw/zinc/32/66/72/712326672.db2.gz HXEAPNFVGVTFOK-WISYIIOYSA-N 0 0 205.301 2.115 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000378685634 712357426 /nfs/dbraw/zinc/35/74/26/712357426.db2.gz CEVRIZKLMGHXOW-MXWKQRLJSA-N 0 0 225.332 2.360 10 0 BEAERN CCCC(=O)Oc1cc(OC)cc(OC)c1 ZINC000121414996 712427427 /nfs/dbraw/zinc/42/74/27/712427427.db2.gz UDYCIUMNQQUPER-UHFFFAOYSA-N 0 0 224.256 2.409 10 0 BEAERN CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)[C@@H]1C[C@H]1C ZINC000712939077 712450126 /nfs/dbraw/zinc/45/01/26/712450126.db2.gz WZWQUEYFKVOCRR-OZJFSBSRSA-N 0 0 237.343 2.264 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000712946538 712450367 /nfs/dbraw/zinc/45/03/67/712450367.db2.gz LPARFAJFYJFLJO-RDBSUJKOSA-N 0 0 249.354 2.250 10 0 BEAERN COCC1CC(Nc2nc(C3CC3)ns2)C1 ZINC000714008352 712477465 /nfs/dbraw/zinc/47/74/65/712477465.db2.gz RRZPYJFVJQHXFQ-UHFFFAOYSA-N 0 0 239.344 2.252 10 0 BEAERN CCC[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337786 712482937 /nfs/dbraw/zinc/48/29/37/712482937.db2.gz KNKNWCDITBUSBB-GHMZBOCLSA-N 0 0 243.347 2.177 10 0 BEAERN Cc1ccc([C@@H](C)N[C@@H](C)c2cn(C)nn2)o1 ZINC000715863607 712537301 /nfs/dbraw/zinc/53/73/01/712537301.db2.gz YFVLGIFKRFPGBN-VHSXEESVSA-N 0 0 234.303 2.128 10 0 BEAERN Cc1cc([C@H](C)N[C@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885440 712539569 /nfs/dbraw/zinc/53/95/69/712539569.db2.gz SDWKILIAIBIXAN-VHSXEESVSA-N 0 0 248.330 2.437 10 0 BEAERN C[C@H](N[C@@H](C)c1cccc(F)c1)c1cn(C)nn1 ZINC000715882085 712539751 /nfs/dbraw/zinc/53/97/51/712539751.db2.gz KFPZJZGOUHTBNJ-UWVGGRQHSA-N 0 0 248.305 2.366 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000717115832 712632833 /nfs/dbraw/zinc/63/28/33/712632833.db2.gz WVBAOLZUVFRXKP-MMWGEVLESA-N 0 0 211.305 2.413 10 0 BEAERN CN(c1ncc(C=O)cn1)C1CCCCCC1 ZINC000126276114 712697580 /nfs/dbraw/zinc/69/75/80/712697580.db2.gz XQPSNOILHCXFQL-UHFFFAOYSA-N 0 0 233.315 2.448 10 0 BEAERN Cc1coc(C(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000718488389 712766171 /nfs/dbraw/zinc/76/61/71/712766171.db2.gz HRDQILSBGZHVNZ-ZJUUUORDSA-N 0 0 205.257 2.213 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccnc2ncccc12 ZINC000718933317 712788725 /nfs/dbraw/zinc/78/87/25/712788725.db2.gz PLCKCCAPUHLMQW-ONGXEEELSA-N 0 0 229.283 2.219 10 0 BEAERN CC(C)(C)[C@@H](O)CNc1ccnc2ncccc12 ZINC000718986129 712791590 /nfs/dbraw/zinc/79/15/90/712791590.db2.gz LNHGUTJIKAONRY-LBPRGKRZSA-N 0 0 245.326 2.449 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCC=CCCC1)[C@H](C)O ZINC000719007854 712793896 /nfs/dbraw/zinc/79/38/96/712793896.db2.gz KBSNGZHTGIGOFY-WOPDTQHZSA-N 0 0 225.332 2.008 10 0 BEAERN Nc1ncc(-c2nc(CC3CCC3)no2)s1 ZINC000719957458 712826654 /nfs/dbraw/zinc/82/66/54/712826654.db2.gz KGPQGBORTGHKJA-UHFFFAOYSA-N 0 0 236.300 2.118 10 0 BEAERN Cc1cccc(CN[C@H](C)c2cn(C)nn2)c1F ZINC000720590659 712856118 /nfs/dbraw/zinc/85/61/18/712856118.db2.gz KWDYGUVNMGMIBZ-SNVBAGLBSA-N 0 0 248.305 2.113 10 0 BEAERN C/C=C(/CC)C(=O)OC[C@H]1COC(C)(C)O1 ZINC000588570012 960096231 /nfs/dbraw/zinc/09/62/31/960096231.db2.gz OFJXQMPNHIDOLG-BSKOKIOFSA-N 0 0 228.288 2.037 10 0 BEAERN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)C1(C)CC1 ZINC000706599397 977356056 /nfs/dbraw/zinc/35/60/56/977356056.db2.gz QDZQAJBHGZGIAT-QMMMGPOBSA-N 0 0 223.272 2.256 10 0 BEAERN Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)oc1C(=O)[O-] ZINC000706912046 977367993 /nfs/dbraw/zinc/36/79/93/977367993.db2.gz CYKFINDLRMNMHI-BDAKNGLRSA-N 0 0 223.272 2.126 10 0 BEAERN C[C@H]([NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1CCCC1 ZINC000715245934 977704408 /nfs/dbraw/zinc/70/44/08/977704408.db2.gz GZXYFUOJPYASLT-UJNFCWOMSA-N 0 0 247.285 2.121 10 0 BEAERN Clc1ccccc1CNCc1cnccn1 ZINC000054765449 1169138780 /nfs/dbraw/zinc/13/87/80/1169138780.db2.gz MJNVDLGDLZWYPQ-UHFFFAOYSA-N 0 0 233.702 2.420 10 0 BEAERN C/C=C/C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000106072686 971571703 /nfs/dbraw/zinc/57/17/03/971571703.db2.gz VQJACAZHRHXMDJ-QHHAFSJGSA-N 0 0 241.294 2.065 10 0 BEAERN CC(C)C1(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000687530405 954617923 /nfs/dbraw/zinc/61/79/23/954617923.db2.gz VHALDBVOQOGSNH-NWDGAFQWSA-N 0 0 239.359 2.465 10 0 BEAERN CC(C)(C)C[N@H+](CCC(F)(F)F)CC(=O)[O-] ZINC000692598359 954702667 /nfs/dbraw/zinc/70/26/67/954702667.db2.gz AIFSGWWCONPITI-UHFFFAOYSA-N 0 0 241.253 2.372 10 0 BEAERN C[C@]12CCCC[C@H]1C[N@@H+]2CCCC(=O)[O-] ZINC000706032074 954943540 /nfs/dbraw/zinc/94/35/40/954943540.db2.gz MIJBSAJHCXFLCU-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1C ZINC000706917556 954959560 /nfs/dbraw/zinc/95/95/60/954959560.db2.gz QSZWBELAISXFPO-YUMQZZPRSA-N 0 0 225.313 2.287 10 0 BEAERN CC[N@H+](CCC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000707956731 954988222 /nfs/dbraw/zinc/98/82/22/954988222.db2.gz JWURHKOMBCCQDR-VIFPVBQESA-N 0 0 201.310 2.218 10 0 BEAERN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708533929 955000641 /nfs/dbraw/zinc/00/06/41/955000641.db2.gz YTORCKJTTQYYJZ-VHSXEESVSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])c1ccns1 ZINC000715994879 955124905 /nfs/dbraw/zinc/12/49/05/955124905.db2.gz UVGSQEUOAIAHIZ-QMMMGPOBSA-N 0 0 242.344 2.295 10 0 BEAERN Nc1cc(F)c(F)cc1C(=O)Nc1ccncc1 ZINC000050016187 957969609 /nfs/dbraw/zinc/96/96/09/957969609.db2.gz CIAVFXAOUYXPPD-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OC1CCC1 ZINC000588456415 958584366 /nfs/dbraw/zinc/58/43/66/958584366.db2.gz XDGFEZLUCZNQCX-FPLPWBNLSA-N 0 0 217.268 2.499 10 0 BEAERN CC/C=C\CCOC(=O)/C=C/c1ccncn1 ZINC000588477281 958718662 /nfs/dbraw/zinc/71/86/62/958718662.db2.gz SLKHIYGYZUQSPE-WWVFNRLHSA-N 0 0 232.283 2.389 10 0 BEAERN COC[C@H](C)COC(=O)/C=C(/C)C1CC1 ZINC000588485588 958753716 /nfs/dbraw/zinc/75/37/16/958753716.db2.gz HKSNBAOSXQBEHZ-LKJZUNMESA-N 0 0 212.289 2.168 10 0 BEAERN C[C@@H]1OCC[C@H]1OC(=O)/C=C\c1ccccc1 ZINC000588492498 958821669 /nfs/dbraw/zinc/82/16/69/958821669.db2.gz LTWNOKPPSFPGPN-ZFVKQSTNSA-N 0 0 232.279 2.420 10 0 BEAERN COC(=O)c1ccc([C@H](C)OC(=O)C2CC2)cc1 ZINC000102136951 959068857 /nfs/dbraw/zinc/06/88/57/959068857.db2.gz GTUVRKKCRAJKRC-VIFPVBQESA-N 0 0 248.278 2.487 10 0 BEAERN C/C=C(/CC)C(=O)OCc1nnc(C2CC2)n1C ZINC000588568900 959243716 /nfs/dbraw/zinc/24/37/16/959243716.db2.gz AEIHSKQFNBJBOP-WTKPLQERSA-N 0 0 249.314 2.092 10 0 BEAERN C/C=C(\CC)C(=O)OCC[C@@H](C)OC ZINC000588570037 959258936 /nfs/dbraw/zinc/25/89/36/959258936.db2.gz URYZQIDVWRRLSD-RAJVOEEQSA-N 0 0 200.278 2.311 10 0 BEAERN C/C=C(/CC)C(=O)O[C@@H](CC(C)C)C(=O)OC ZINC000588570118 959260795 /nfs/dbraw/zinc/26/07/95/959260795.db2.gz TWBQIAGNENNFDE-YAEJEKNGSA-N 0 0 242.315 2.474 10 0 BEAERN CC(C)[C@H](C)OC(=O)/C=C\c1ccncn1 ZINC000588539348 960080602 /nfs/dbraw/zinc/08/06/02/960080602.db2.gz IXIOUYIUWCPKTD-LWTINBJPSA-N 0 0 220.272 2.078 10 0 BEAERN CCN(C)C(=O)c1cc(Cl)ccc1N ZINC000037078058 960678917 /nfs/dbraw/zinc/67/89/17/960678917.db2.gz PKJUNZHYJLJALN-UHFFFAOYSA-N 0 0 212.680 2.014 10 0 BEAERN CO[C@@H]1CCCC[C@@H]1OC(=O)CCOC(C)C ZINC000130893634 962220338 /nfs/dbraw/zinc/22/03/38/962220338.db2.gz ZWJDMTXSOHWHHG-NEPJUHHUSA-N 0 0 244.331 2.302 10 0 BEAERN C=CC[C@H](C(=O)OC)N(C)Cc1ccccc1 ZINC000034521781 964531682 /nfs/dbraw/zinc/53/16/82/964531682.db2.gz LLXSFGJVJABAFP-CYBMUJFWSA-N 0 0 233.311 2.236 10 0 BEAERN Cc1ccc(NC(=O)c2cc(N)ccn2)cc1F ZINC000050699527 968643468 /nfs/dbraw/zinc/64/34/68/968643468.db2.gz HATYLPQSJJVXDN-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN C[N@H+](CCCC(=O)[O-])Cc1cncc(Cl)c1 ZINC000702657807 968996653 /nfs/dbraw/zinc/99/66/53/968996653.db2.gz VJCVEOXHDQBURN-UHFFFAOYSA-N 0 0 242.706 2.032 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706339650 969014427 /nfs/dbraw/zinc/01/44/27/969014427.db2.gz AMWLEBFOFGMBDL-BDAKNGLRSA-N 0 0 235.274 2.073 10 0 BEAERN C[C@@H](CC(=O)[O-])[NH2+]Cc1ccnc2ccccc12 ZINC000719621214 969106235 /nfs/dbraw/zinc/10/62/35/969106235.db2.gz PGTLKSHWKRISRZ-JTQLQIEISA-N 0 0 244.294 2.188 10 0 BEAERN Nc1cc(F)ccc1C(=O)Nc1ccc(O)cc1 ZINC000062823151 969877156 /nfs/dbraw/zinc/87/71/56/969877156.db2.gz VCDKKFKPVLKKFT-UHFFFAOYSA-N 0 0 246.241 2.366 10 0 BEAERN C[C@@H]1C[N@H+](CCC(C)(C)C(=O)[O-])[C@@H](C)[C@H]1C ZINC000399815010 973242027 /nfs/dbraw/zinc/24/20/27/973242027.db2.gz YDPURPAEGSDAOW-VWYCJHECSA-N 0 0 227.348 2.464 10 0 BEAERN CC(C)CC[C@H](C)[NH2+]C(C)(C)C(=O)[O-] ZINC000686000491 976097700 /nfs/dbraw/zinc/09/77/00/976097700.db2.gz XWYJXCHIXNJBLT-VIFPVBQESA-N 0 0 201.310 2.264 10 0 BEAERN CC[C@H]([NH2+]CCC(C)(C)CC)C(=O)[O-] ZINC000686198551 976103041 /nfs/dbraw/zinc/10/30/41/976103041.db2.gz RMLWPJIGYRRZTA-VIFPVBQESA-N 0 0 201.310 2.266 10 0 BEAERN CCCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)C(=O)[O-] ZINC000686347418 976106535 /nfs/dbraw/zinc/10/65/35/976106535.db2.gz BDTXUPXAODNBAM-USZNOCQGSA-N 0 0 243.347 2.033 10 0 BEAERN CC(C)C1(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000687536498 976145270 /nfs/dbraw/zinc/14/52/70/976145270.db2.gz AFJPAJICXWTNMF-NWDGAFQWSA-N 0 0 239.359 2.465 10 0 BEAERN CC(C)OCCC[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000690408616 976290179 /nfs/dbraw/zinc/29/01/79/976290179.db2.gz JHJFMAYCQUQVEE-GFCCVEGCSA-N 0 0 243.347 2.131 10 0 BEAERN O=C([O-])C1(C[NH+]2CCC3(CCC3)CC2)CC1 ZINC000691547133 976365593 /nfs/dbraw/zinc/36/55/93/976365593.db2.gz FSGOCXPECWXLRK-UHFFFAOYSA-N 0 0 223.316 2.117 10 0 BEAERN C[C@@H]1CCC[C@@H]([N@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628038 976377580 /nfs/dbraw/zinc/37/75/80/976377580.db2.gz LAFNUKPNKPQDAX-GHMZBOCLSA-N 0 0 225.332 2.362 10 0 BEAERN O=C([O-])c1cccc(C[NH2+]CCc2ccoc2)c1 ZINC000692681335 976533886 /nfs/dbraw/zinc/53/38/86/976533886.db2.gz VTENSQMKFCXRCV-UHFFFAOYSA-N 0 0 245.278 2.310 10 0 BEAERN C[N@H+](C[C@H]1CCC(C)(C)O1)C(C)(C)CC(=O)[O-] ZINC000694075746 976666079 /nfs/dbraw/zinc/66/60/79/976666079.db2.gz TXQQWSGGHLNMRM-SNVBAGLBSA-N 0 0 243.347 2.129 10 0 BEAERN CC(C)[C@H]1CCC[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000694571828 976701089 /nfs/dbraw/zinc/70/10/89/976701089.db2.gz UJSPMCMKAQVFKA-NSHDSACASA-N 0 0 225.332 2.219 10 0 BEAERN CCC(C)(C)[C@@H](C)[NH2+]Cc1oncc1C(=O)[O-] ZINC000695125218 976782491 /nfs/dbraw/zinc/78/24/91/976782491.db2.gz WQHJXQXWQDVGOJ-MRVPVSSYSA-N 0 0 240.303 2.287 10 0 BEAERN CC(C)(C)OCCC[NH2+][C@@H](C(=O)[O-])C(C)(C)C ZINC000695286832 976790946 /nfs/dbraw/zinc/79/09/46/976790946.db2.gz NFKDURIZPMRPME-JTQLQIEISA-N 0 0 245.363 2.281 10 0 BEAERN CCCC[C@@H]([NH2+]CCC1(C)CC1)C(=O)[O-] ZINC000698068945 976875343 /nfs/dbraw/zinc/87/53/43/976875343.db2.gz HDVGYVINWBCPTJ-SNVBAGLBSA-N 0 0 213.321 2.410 10 0 BEAERN Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1C(=O)[O-] ZINC000701818792 977043941 /nfs/dbraw/zinc/04/39/41/977043941.db2.gz VUAQUOPCKZKSQA-YPMHNXCESA-N 0 0 231.295 2.287 10 0 BEAERN CC(C)CC1([NH2+]Cc2oncc2C(=O)[O-])CC1 ZINC000701911511 977054007 /nfs/dbraw/zinc/05/40/07/977054007.db2.gz WRIOYXTZLDUHKX-UHFFFAOYSA-N 0 0 238.287 2.041 10 0 BEAERN C[C@H](F)CC[NH2+]Cc1cc(C(=O)[O-])cs1 ZINC000702647069 977098389 /nfs/dbraw/zinc/09/83/89/977098389.db2.gz BXVGDLIZFJJZFA-ZETCQYMHSA-N 0 0 231.292 2.284 10 0 BEAERN C[C@@H](F)CC[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000702643187 977098685 /nfs/dbraw/zinc/09/86/85/977098685.db2.gz HVMQDDDJSDMMEU-RQJHMYQMSA-N 0 0 246.307 2.240 10 0 BEAERN Cc1cc(C[N@H+](CC(=O)[O-])C2CCCC2)ccn1 ZINC000703493619 977167048 /nfs/dbraw/zinc/16/70/48/977167048.db2.gz WBWWTVLFIPSSJB-UHFFFAOYSA-N 0 0 248.326 2.219 10 0 BEAERN O=C([O-])c1occc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706325595 977312707 /nfs/dbraw/zinc/31/27/07/977312707.db2.gz LNKQGGOIGQGGEB-MRVPVSSYSA-N 0 0 245.225 2.065 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000706745624 977360315 /nfs/dbraw/zinc/36/03/15/977360315.db2.gz XRPACLRSOQPPJJ-BDAKNGLRSA-N 0 0 237.274 2.364 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC000706774719 977361685 /nfs/dbraw/zinc/36/16/85/977361685.db2.gz NDAOBPKTRYJXOE-RKDXNWHRSA-N 0 0 237.274 2.364 10 0 BEAERN O=C([O-])c1occc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706933293 977368915 /nfs/dbraw/zinc/36/89/15/977368915.db2.gz BTNWLUHTJIRTJG-ONGXEEELSA-N 0 0 235.283 2.352 10 0 BEAERN CCC[C@](C)([NH2+]CC(F)(F)CC)C(=O)[O-] ZINC000707623210 977399641 /nfs/dbraw/zinc/39/96/41/977399641.db2.gz VLAGUZRNZVRJQE-VIFPVBQESA-N 0 0 223.263 2.265 10 0 BEAERN CC(C)(C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(=O)[O-] ZINC000707882286 977402825 /nfs/dbraw/zinc/40/28/25/977402825.db2.gz UGWBDLMNAVVIRW-GARJFASQSA-N 0 0 225.332 2.266 10 0 BEAERN O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000712937389 977618644 /nfs/dbraw/zinc/61/86/44/977618644.db2.gz DOWGRMLDKUGODL-SUNKGSAMSA-N 0 0 249.285 2.169 10 0 BEAERN C=C/C=C/CC[NH2+]Cc1cc(C(=O)[O-])c(C)n1C ZINC000713498510 977639859 /nfs/dbraw/zinc/63/98/59/977639859.db2.gz HYNFTSTWKWVLLP-AATRIKPKSA-N 0 0 248.326 2.254 10 0 BEAERN C=C/C=C\CC[NH2+]Cc1cc(C(=O)[O-])c(C)n1C ZINC000713498512 977640421 /nfs/dbraw/zinc/64/04/21/977640421.db2.gz HYNFTSTWKWVLLP-WAYWQWQTSA-N 0 0 248.326 2.254 10 0 BEAERN C[C@H]([NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCCC1 ZINC000715245927 977704463 /nfs/dbraw/zinc/70/44/63/977704463.db2.gz GZXYFUOJPYASLT-HGNGGELXSA-N 0 0 247.285 2.121 10 0 BEAERN O=C([O-])[C@@H]1[C@@H](C[NH2+]CCC2CCCC2)C1(F)F ZINC000715251060 977707663 /nfs/dbraw/zinc/70/76/63/977707663.db2.gz YSUBLNFZGKJUOL-ZJUUUORDSA-N 0 0 247.285 2.122 10 0 BEAERN CCCC1(C[NH2+]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC000715337951 977745403 /nfs/dbraw/zinc/74/54/03/977745403.db2.gz DHKPJLBBDNCCFJ-IUCAKERBSA-N 0 0 247.285 2.122 10 0 BEAERN CC(C)C[C@H]([NH2+][C@@H](C)c1ccns1)C(=O)[O-] ZINC000715990927 977804153 /nfs/dbraw/zinc/80/41/53/977804153.db2.gz GUZONZSUESGAJL-IUCAKERBSA-N 0 0 242.344 2.293 10 0 BEAERN CC(C)C[C@@H]([NH2+][C@H](C)c1ccns1)C(=O)[O-] ZINC000715990929 977804309 /nfs/dbraw/zinc/80/43/09/977804309.db2.gz GUZONZSUESGAJL-RKDXNWHRSA-N 0 0 242.344 2.293 10 0 BEAERN CC(C)C[C@@H]([NH2+]C1(C2CC2)CCC1)C(=O)[O-] ZINC000717829598 977921529 /nfs/dbraw/zinc/92/15/29/977921529.db2.gz NWDMAFSDRYJFTR-LLVKDONJSA-N 0 0 225.332 2.408 10 0 BEAERN O=C([O-])[C@H]([NH2+][C@@H]1CC12CCC2)c1ccccc1 ZINC000721224453 978096715 /nfs/dbraw/zinc/09/67/15/978096715.db2.gz DCYUVUXTKJANDG-VXGBXAGGSA-N 0 0 231.295 2.345 10 0 BEAERN O=C([O-])[C@@H]([NH2+][C@@H]1CC12CCC2)c1ccccc1 ZINC000721224450 978096723 /nfs/dbraw/zinc/09/67/23/978096723.db2.gz DCYUVUXTKJANDG-NEPJUHHUSA-N 0 0 231.295 2.345 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@H+](Cc1ccoc1)C1CC1 ZINC000723722509 978216531 /nfs/dbraw/zinc/21/65/31/978216531.db2.gz PEPQKVZQVHCWHV-POHAHGRESA-N 0 0 235.283 2.275 10 0 BEAERN C/C(=C/C(=O)[O-])C[NH+]1CCC(C2CC2)CC1 ZINC000724687905 978235815 /nfs/dbraw/zinc/23/58/15/978235815.db2.gz VOXCFBHUCOGAFE-NTMALXAHSA-N 0 0 223.316 2.139 10 0 BEAERN Cc1ccccc1CN1N=C2CCC[C@H]2C1=O ZINC000109356975 984316560 /nfs/dbraw/zinc/31/65/60/984316560.db2.gz QWGVJHIWHYMDLY-GFCCVEGCSA-N 0 0 228.295 2.493 10 0 BEAERN Cc1ccccc1CN1N=C2CCC[C@@H]2C1=O ZINC000109356977 984316657 /nfs/dbraw/zinc/31/66/57/984316657.db2.gz QWGVJHIWHYMDLY-LBPRGKRZSA-N 0 0 228.295 2.493 10 0 BEAERN COC(=O)[C@@H](CC(C)C)NC1CCSCC1 ZINC000036981232 1170924494 /nfs/dbraw/zinc/92/44/94/1170924494.db2.gz YFPVREDYTOHXNU-LLVKDONJSA-N 0 0 245.388 2.059 10 0 BEAERN C/C=C/C(=O)Nc1ncc(Br)s1 ZINC000037437082 1170948160 /nfs/dbraw/zinc/94/81/60/1170948160.db2.gz DTFKXJHWQVFEDV-NSCUHMNNSA-N 0 0 247.117 2.420 10 0 BEAERN Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000050698295 1171826156 /nfs/dbraw/zinc/82/61/56/1171826156.db2.gz HTGAEUAPLQCKJR-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CNc1ncccc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000050728850 1171835373 /nfs/dbraw/zinc/83/53/73/1171835373.db2.gz XQQXXZWOODIBCC-JQWIXIFHSA-N 0 0 247.342 2.432 10 0 BEAERN C[C@@H]1CCC[C@H](OCC(F)(F)C[NH3+])C1 ZINC000685955900 538901876 /nfs/dbraw/zinc/90/18/76/538901876.db2.gz GYWZISFJWOAKAR-BDAKNGLRSA-N 0 0 207.264 2.176 10 0 BEAERN CCC(C)(CC)NC(=O)c1ccc(N(C)C)nc1 ZINC000112828332 168309826 /nfs/dbraw/zinc/30/98/26/168309826.db2.gz DGFFWKJLFBEIPH-UHFFFAOYSA-N 0 0 249.358 2.456 10 0 BEAERN Cc1cc(N)nc(C(Cl)(Cl)Cl)n1 ZINC000685956241 538902111 /nfs/dbraw/zinc/90/21/11/538902111.db2.gz PDKHCULGLKEVJL-UHFFFAOYSA-N 0 0 226.494 2.194 10 0 BEAERN CO[C@H](C)[C@@H]1[C@H](C)C(=O)NC12CCCCC2 ZINC000685958259 538905310 /nfs/dbraw/zinc/90/53/10/538905310.db2.gz BUIDVBLSUOOWQY-AXFHLTTASA-N 0 0 225.332 2.106 10 0 BEAERN CCCNCC(F)(F)COCC(C)C ZINC000685957822 538905367 /nfs/dbraw/zinc/90/53/67/538905367.db2.gz HOSCYXANXICSNP-UHFFFAOYSA-N 0 0 209.280 2.294 10 0 BEAERN C/C=C/COCC(F)(F)CNCCC ZINC000685958404 538906129 /nfs/dbraw/zinc/90/61/29/538906129.db2.gz YJZLUZOZKYPLJD-HWKANZROSA-N 0 0 207.264 2.214 10 0 BEAERN COC[C@H](C)[C@H]1CC(=O)NC12CCCCC2 ZINC000685959012 538906262 /nfs/dbraw/zinc/90/62/62/538906262.db2.gz INSYZOLLXCTVIL-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN CCC[C@@]1(CC)CC(=O)NC12CCOCC2 ZINC000685958651 538906402 /nfs/dbraw/zinc/90/64/02/538906402.db2.gz CFCSAOJVJBUPDK-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN COC[C@@H](C)[C@H]1CC(=O)NC12CCCCC2 ZINC000685959007 538906446 /nfs/dbraw/zinc/90/64/46/538906446.db2.gz INSYZOLLXCTVIL-GHMZBOCLSA-N 0 0 225.332 2.108 10 0 BEAERN CC[C@]1(C(C)C)CC(=O)NC12CCOCC2 ZINC000685958842 538906469 /nfs/dbraw/zinc/90/64/69/538906469.db2.gz HIOJWMYBJYMDHQ-GFCCVEGCSA-N 0 0 225.332 2.108 10 0 BEAERN CC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685959545 538906711 /nfs/dbraw/zinc/90/67/11/538906711.db2.gz ZOFNUUKKQYZJPC-NOZJJQNGSA-N 0 0 241.331 2.469 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@H]1CC(=O)NC12CCCCC2 ZINC000685959584 538906947 /nfs/dbraw/zinc/90/69/47/538906947.db2.gz PUWRCRYOZVGJGZ-VWYCJHECSA-N 0 0 207.317 2.481 10 0 BEAERN COC(=O)[C@]1(C)CC2(CC1=O)CCCCC2 ZINC000685960085 538906990 /nfs/dbraw/zinc/90/69/90/538906990.db2.gz YZWMLSHZXOEEBI-GFCCVEGCSA-N 0 0 224.300 2.479 10 0 BEAERN COc1cnc(C(Cl)(Cl)Cl)nc1F ZINC000685960057 538907322 /nfs/dbraw/zinc/90/73/22/538907322.db2.gz YLIIHXRZJMQQEZ-UHFFFAOYSA-N 0 0 245.468 2.451 10 0 BEAERN CC(C)(C)OC(=O)NCC(=O)CC1CC=CC1 ZINC000685960331 538907446 /nfs/dbraw/zinc/90/74/46/538907446.db2.gz FWBJMDYPDLKMIC-UHFFFAOYSA-N 0 0 239.315 2.437 10 0 BEAERN CCc1nc2ccc(C)cc2cc1NN ZINC000685963240 538908031 /nfs/dbraw/zinc/90/80/31/538908031.db2.gz JZHXLWZJANWPPT-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN CCC[C@H]1Nc2cc(OC)ccc2C[C@H]1O ZINC000685963037 538909740 /nfs/dbraw/zinc/90/97/40/538909740.db2.gz FHSTVKBUFZIUCS-DGCLKSJQSA-N 0 0 221.300 2.193 10 0 BEAERN Cc1cccc2c1N[C@H](C(F)(F)F)[C@@H](O)C2 ZINC000685962919 538909853 /nfs/dbraw/zinc/90/98/53/538909853.db2.gz ACZBLRZTVAVUSH-WPRPVWTQSA-N 0 0 231.217 2.255 10 0 BEAERN CCC[C@H]1Nc2cc(OC)ccc2C[C@@H]1O ZINC000685963039 538909866 /nfs/dbraw/zinc/90/98/66/538909866.db2.gz FHSTVKBUFZIUCS-YPMHNXCESA-N 0 0 221.300 2.193 10 0 BEAERN CCCc1nc2ccc(N)cc2cc1O ZINC000685963524 538910187 /nfs/dbraw/zinc/91/01/87/538910187.db2.gz RHAOSDWHLSSYDV-UHFFFAOYSA-N 0 0 202.257 2.475 10 0 BEAERN CCc1cccc2c1N[C@H](C(F)F)[C@H](O)C2 ZINC000685963222 538910229 /nfs/dbraw/zinc/91/02/29/538910229.db2.gz JRRYATKRYIIKBP-KOLCDFICSA-N 0 0 227.254 2.212 10 0 BEAERN CCC[C@H]1Nc2cccc(OC)c2C[C@@H]1O ZINC000685963102 538910234 /nfs/dbraw/zinc/91/02/34/538910234.db2.gz GKUVLXOLCIFGSL-NEPJUHHUSA-N 0 0 221.300 2.193 10 0 BEAERN CCOc1ccc2nc(C)c(NN)cc2c1 ZINC000685963457 538910297 /nfs/dbraw/zinc/91/02/97/538910297.db2.gz OUZTXVYNAZZSFB-UHFFFAOYSA-N 0 0 217.272 2.228 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@@H](C(C)C)N2 ZINC000685963686 538910370 /nfs/dbraw/zinc/91/03/70/538910370.db2.gz VPUBOSYSRXHBLO-CHWSQXEVSA-N 0 0 221.300 2.049 10 0 BEAERN CCCn1nc2c(c1N)C[C@H](CC)CC2 ZINC000685952478 538896336 /nfs/dbraw/zinc/89/63/36/538896336.db2.gz MPJDOMXTSAFCBB-SECBINFHSA-N 0 0 207.321 2.390 10 0 BEAERN [NH3+][C@@H]1c2ccccc2[C@@H]2CCCC[C@H]2[C@H]1O ZINC000309057662 349439116 /nfs/dbraw/zinc/43/91/16/349439116.db2.gz FJULULWKKOSKMQ-IGHBBLSQSA-N 0 0 217.312 2.335 10 0 BEAERN Cc1cc(C)nc(NC(=O)Cc2ccccc2)n1 ZINC000000580133 177939974 /nfs/dbraw/zinc/93/99/74/177939974.db2.gz CWCLURJWUMSJHD-UHFFFAOYSA-N 0 0 241.294 2.275 10 0 BEAERN Cc1nc([C@@H]2CCCN2c2cc(C)ccn2)no1 ZINC000408101059 136210645 /nfs/dbraw/zinc/21/06/45/136210645.db2.gz ZFHQFBLOVQKTOC-NSHDSACASA-N 0 0 244.298 2.423 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@@H](C(C)C)N2 ZINC000685963815 538910789 /nfs/dbraw/zinc/91/07/89/538910789.db2.gz XIVKMORWTJCKIB-WCQYABFASA-N 0 0 221.300 2.049 10 0 BEAERN Nc1cn(Cc2c(F)cccc2Cl)cn1 ZINC000685964287 538911223 /nfs/dbraw/zinc/91/12/23/538911223.db2.gz KRRDXOBTCUKDOC-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN Nc1ccc2cn(C/C=C/Cl)nc2c1 ZINC000685965449 538912146 /nfs/dbraw/zinc/91/21/46/538912146.db2.gz DXPDETGGPAWXNJ-DAFODLJHSA-N 0 0 207.664 2.371 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H](C)C1CCOCC1 ZINC000161640615 538916968 /nfs/dbraw/zinc/91/69/68/538916968.db2.gz GVOVGQYXCSKAQT-GHMZBOCLSA-N 0 0 227.348 2.210 10 0 BEAERN CCC(CC)C(=O)N(C)c1ccncc1N ZINC000042140515 168333769 /nfs/dbraw/zinc/33/37/69/168333769.db2.gz IBXMPHGKRHFQAW-UHFFFAOYSA-N 0 0 221.304 2.063 10 0 BEAERN COC(=O)[C@H](CCCc1ccccc1)[C@@H](C)O ZINC000071973730 398171385 /nfs/dbraw/zinc/17/13/85/398171385.db2.gz GJUACORXYYKVOH-DGCLKSJQSA-N 0 0 236.311 2.179 10 0 BEAERN O=[N+]([O-])/C=C/c1ccc(Br)nc1 ZINC000071973670 398171434 /nfs/dbraw/zinc/17/14/34/398171434.db2.gz RULPDEIIIZEWRP-ONEGZZNKSA-N 0 0 229.033 2.092 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cnco1 ZINC000616615354 398174241 /nfs/dbraw/zinc/17/42/41/398174241.db2.gz GUVDCWZKKWTLLR-VIFPVBQESA-N 0 0 224.260 2.358 10 0 BEAERN Cc1cnc([C@@H](C)NCc2cc(C)on2)o1 ZINC000336781846 178038554 /nfs/dbraw/zinc/03/85/54/178038554.db2.gz VYHHVRZXWIXYEE-SECBINFHSA-N 0 0 221.260 2.130 10 0 BEAERN CC(C)(CC(=O)N[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000645086469 398174657 /nfs/dbraw/zinc/17/46/57/398174657.db2.gz KVTVDIANORNWJY-NEPJUHHUSA-N 0 0 239.359 2.232 10 0 BEAERN Cc1cc(CNc2cc(N)ccc2C)on1 ZINC000053735514 178041178 /nfs/dbraw/zinc/04/11/78/178041178.db2.gz ISADJTLYWLBWSL-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2cc(Cl)ncn2)no1 ZINC000044728681 178041682 /nfs/dbraw/zinc/04/16/82/178041682.db2.gz PODLWGZUONKRAX-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CNc2ccc(Cl)nn2)on1 ZINC000044995781 178043460 /nfs/dbraw/zinc/04/34/60/178043460.db2.gz QXRSZECBAKUDKN-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CNc2ncc(F)cn2)c(C)o1 ZINC000301802299 178044069 /nfs/dbraw/zinc/04/40/69/178044069.db2.gz WVMUMCREUNXLRB-UHFFFAOYSA-N 0 0 221.235 2.438 10 0 BEAERN Cc1cc(CNc2nccnc2Cl)no1 ZINC000044728682 178045006 /nfs/dbraw/zinc/04/50/06/178045006.db2.gz XHHZEMIRZIQLBH-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Cc1cc(CSc2ccc(N)cn2)no1 ZINC000037191774 178053836 /nfs/dbraw/zinc/05/38/36/178053836.db2.gz BBMDZVZARCNHCW-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(Cl)cc2c1OCCC(=O)N2 ZINC000062525442 178064745 /nfs/dbraw/zinc/06/47/45/178064745.db2.gz RFCBCHBJRDCICK-UHFFFAOYSA-N 0 0 211.648 2.369 10 0 BEAERN CN(Cc1nccs1)C[C@H]1CCC[C@H](O)C1 ZINC000390155750 398164126 /nfs/dbraw/zinc/16/41/26/398164126.db2.gz WMNNTZXVYJAHBW-QWRGUYRKSA-N 0 0 240.372 2.126 10 0 BEAERN CSc1ccccc1N1CCC(=O)C1 ZINC000232274913 398164607 /nfs/dbraw/zinc/16/46/07/398164607.db2.gz JEZIEGAZCGBXIA-UHFFFAOYSA-N 0 0 207.298 2.188 10 0 BEAERN CC(C)[C@H]1C(=O)N[C@@H]1c1ncc(Cl)s1 ZINC000307430534 398164646 /nfs/dbraw/zinc/16/46/46/398164646.db2.gz WIDUCCPZKWXGOY-RQJHMYQMSA-N 0 0 230.720 2.240 10 0 BEAERN Cc1cc(Cl)ccc1N(C)C[C@@H](C)O ZINC000049815554 178067625 /nfs/dbraw/zinc/06/76/25/178067625.db2.gz BSTLWGLXEGWQPR-SECBINFHSA-N 0 0 213.708 2.465 10 0 BEAERN CCc1nn2c(C=O)c(C3CC3)nc2s1 ZINC000232281304 398166397 /nfs/dbraw/zinc/16/63/97/398166397.db2.gz XGLPLMQOSDCRLA-UHFFFAOYSA-N 0 0 221.285 2.043 10 0 BEAERN CCc1nnc(N[C@H]2CCSC2)s1 ZINC000232283364 398166503 /nfs/dbraw/zinc/16/65/03/398166503.db2.gz MCPOSMXADZWOMC-LURJTMIESA-N 0 0 215.347 2.018 10 0 BEAERN COc1ccc(N)c(COC2CCC2)c1 ZINC000536960061 398199291 /nfs/dbraw/zinc/19/92/91/398199291.db2.gz RXEWBBFSNCATOW-UHFFFAOYSA-N 0 0 207.273 2.347 10 0 BEAERN Cc1cc(F)ccc1-c1cncc(N)n1 ZINC000044120130 178081087 /nfs/dbraw/zinc/08/10/87/178081087.db2.gz CELWJZPMCVLLMS-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H]1C ZINC000135574227 178084248 /nfs/dbraw/zinc/08/42/48/178084248.db2.gz GJIIMRHLPZCKFO-SKDRFNHKSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1cc(F)ccc1OCc1ccn(C)n1 ZINC000212033984 178090674 /nfs/dbraw/zinc/09/06/74/178090674.db2.gz QQHHKXHBEWPEOV-UHFFFAOYSA-N 0 0 220.247 2.447 10 0 BEAERN Cc1cc(F)ccc1[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000050579815 178092288 /nfs/dbraw/zinc/09/22/88/178092288.db2.gz YQSOFODAACIETO-NSHDSACASA-N 0 0 225.263 2.258 10 0 BEAERN Cc1cc(N)c(NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC000050438982 178104199 /nfs/dbraw/zinc/10/41/99/178104199.db2.gz LPVGCHXHMDIPBM-NXEZZACHSA-N 0 0 218.300 2.480 10 0 BEAERN Cc1oncc1C(=O)Nc1ccc(N)cc1C ZINC000021954182 178105259 /nfs/dbraw/zinc/10/52/59/178105259.db2.gz JESWAFXWDFOCEK-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@H](C)OC(C)C ZINC000054036099 178105507 /nfs/dbraw/zinc/10/55/07/178105507.db2.gz CKKCVDWJRDSFMO-JTQLQIEISA-N 0 0 236.315 2.329 10 0 BEAERN Cc1cc(N)cnc1Oc1cccnc1 ZINC000052813713 178108583 /nfs/dbraw/zinc/10/85/83/178108583.db2.gz KVXLZPMVAVQFAZ-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CCOC1(C2=NC(=O)CS2)CCCC1 ZINC000306465230 398201374 /nfs/dbraw/zinc/20/13/74/398201374.db2.gz AZVFFZRZTZPMQH-UHFFFAOYSA-N 0 0 213.302 2.008 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000380355669 343982883 /nfs/dbraw/zinc/98/28/83/343982883.db2.gz WSRMPICOJQOLKA-BQBZGAKWSA-N 0 0 228.273 2.246 10 0 BEAERN COC[C@H](C)C(=O)N1c2ccccc2OC[C@H]1C ZINC000175373111 365547621 /nfs/dbraw/zinc/54/76/21/365547621.db2.gz MQEDAXKZUCJZGB-WDEREUQCSA-N 0 0 249.310 2.083 10 0 BEAERN Cc1cc(NC(=O)N[C@H](C)[C@H]2CCCO2)ccn1 ZINC000119558718 178142040 /nfs/dbraw/zinc/14/20/40/178142040.db2.gz PJKITKHNVULNRG-ZYHUDNBSSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCCO2)ccn1 ZINC000119558447 178142294 /nfs/dbraw/zinc/14/22/94/178142294.db2.gz PJKITKHNVULNRG-PWSUYJOCSA-N 0 0 249.314 2.079 10 0 BEAERN CCC(F)(F)CNc1nccnc1C(C)C ZINC000624560743 398215630 /nfs/dbraw/zinc/21/56/30/398215630.db2.gz UBDPMJAXPBYNCP-UHFFFAOYSA-N 0 0 229.274 2.479 10 0 BEAERN Cc1cc(NC(=O)c2cccc(C)c2N)no1 ZINC000022144084 178150265 /nfs/dbraw/zinc/15/02/65/178150265.db2.gz DQPGRBAGWAMJFG-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2cc(N)c(C)c(F)c2)n[nH]1 ZINC000104437537 178150553 /nfs/dbraw/zinc/15/05/53/178150553.db2.gz HSAIVYXQCRDPLU-UHFFFAOYSA-N 0 0 248.261 2.000 10 0 BEAERN Cc1cc(NCCC2CCCC2)n2ncnc2n1 ZINC000037492663 178157965 /nfs/dbraw/zinc/15/79/65/178157965.db2.gz DNDWVROKSBOLEM-UHFFFAOYSA-N 0 0 245.330 2.425 10 0 BEAERN Cc1cc2ncnn2c(NCC2CCC2)c1 ZINC000035255684 178158582 /nfs/dbraw/zinc/15/85/82/178158582.db2.gz OMSOQOMUSNAFCK-UHFFFAOYSA-N 0 0 216.288 2.250 10 0 BEAERN Cc1cc(NCCCn2ccnc2)ccc1N ZINC000035277848 178159382 /nfs/dbraw/zinc/15/93/82/178159382.db2.gz CDUWBJWAFZKYOF-UHFFFAOYSA-N 0 0 230.315 2.276 10 0 BEAERN Cc1cc(NC[C@H]2CCCS2)nnc1C ZINC000302825525 178170319 /nfs/dbraw/zinc/17/03/19/178170319.db2.gz YZVSNFWOFLLGGN-SNVBAGLBSA-N 0 0 223.345 2.401 10 0 BEAERN C/C=C\C(=O)c1cccc(C(=O)OC)c1 ZINC000379774894 361737191 /nfs/dbraw/zinc/73/71/91/361737191.db2.gz FUKXOPDQCVJWTM-HYXAFXHYSA-N 0 0 204.225 2.232 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@@H]2CCO)nnc1C ZINC000302492143 178189311 /nfs/dbraw/zinc/18/93/11/178189311.db2.gz ZJIGMRZNPRKIOD-NEPJUHHUSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1nc2c(cnn2C2CC2)c(Cl)n1 ZINC000606279231 538930117 /nfs/dbraw/zinc/93/01/17/538930117.db2.gz LWYJGWFWRVXRHC-UHFFFAOYSA-N 0 0 208.652 2.123 10 0 BEAERN CCn1cncc1/C=C/Br ZINC000606275918 538930194 /nfs/dbraw/zinc/93/01/94/538930194.db2.gz NORTYSSQAKEFTJ-ONEGZZNKSA-N 0 0 201.067 2.269 10 0 BEAERN Cc1cc(N[C@@H](C)Cn2ccnc2)ccc1N ZINC000049234762 178178574 /nfs/dbraw/zinc/17/85/74/178178574.db2.gz FGHQUZZPCNJGCE-NSHDSACASA-N 0 0 230.315 2.274 10 0 BEAERN C[C@@H]1CC[C@@H]1Nc1ncnc(Cl)c1C=O ZINC000306859977 398222900 /nfs/dbraw/zinc/22/29/00/398222900.db2.gz DKXPSKJHWZGVKZ-SVRRBLITSA-N 0 0 225.679 2.153 10 0 BEAERN Cc1cc(N[C@H](C)[C@@H]2CCCO2)nc(C)n1 ZINC000037500232 178185876 /nfs/dbraw/zinc/18/58/76/178185876.db2.gz NRDJBUNHBFEILD-KOLCDFICSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(N[C@H](C)[C@@H]2CCCO2)nc(Cl)n1 ZINC000052814369 178186368 /nfs/dbraw/zinc/18/63/68/178186368.db2.gz ZOXYHOJNXLGLLI-BDAKNGLRSA-N 0 0 241.722 2.418 10 0 BEAERN Cc1cc(N[C@H](C)[C@H]2CCCO2)nc(Cl)n1 ZINC000052814371 178186603 /nfs/dbraw/zinc/18/66/03/178186603.db2.gz ZOXYHOJNXLGLLI-RKDXNWHRSA-N 0 0 241.722 2.418 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@H]2CCO)nnc1C ZINC000302492145 178188275 /nfs/dbraw/zinc/18/82/75/178188275.db2.gz ZJIGMRZNPRKIOD-RYUDHWBXSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(Nc2ccc(C(N)=S)cc2)n(C)n1 ZINC000019866982 178192587 /nfs/dbraw/zinc/19/25/87/178192587.db2.gz XHUYJSVOTIIJDW-UHFFFAOYSA-N 0 0 246.339 2.106 10 0 BEAERN Cc1nn([C@H]2CCCC[C@@H]2O)cc1Cl ZINC000070704039 361742358 /nfs/dbraw/zinc/74/23/58/361742358.db2.gz HBOLOLXNJNVLJE-UWVGGRQHSA-N 0 0 214.696 2.321 10 0 BEAERN Cn1cc(C[C@H]2CCCCC(=O)C2)cn1 ZINC000070740327 361751461 /nfs/dbraw/zinc/75/14/61/361751461.db2.gz FZZPQGCNVIFIHJ-SNVBAGLBSA-N 0 0 206.289 2.112 10 0 BEAERN Cc1cc(OCC(N)=S)ccc1Cl ZINC000005592686 178209623 /nfs/dbraw/zinc/20/96/23/178209623.db2.gz OURMYGVJDODAQP-UHFFFAOYSA-N 0 0 215.705 2.313 10 0 BEAERN Cc1cc(Oc2ccccc2C(N)=O)ccc1N ZINC000035056295 178215937 /nfs/dbraw/zinc/21/59/37/178215937.db2.gz SLKDOPXTXTVMTI-UHFFFAOYSA-N 0 0 242.278 2.468 10 0 BEAERN Cc1nnc(Sc2ccc(CO)c(C)c2)n1C ZINC000104288901 178219754 /nfs/dbraw/zinc/21/97/54/178219754.db2.gz AUOSGPSFTRTZDH-UHFFFAOYSA-N 0 0 249.339 2.075 10 0 BEAERN Cc1cc([C@@H](C)NN2CCOCC2)c(C)s1 ZINC000083251459 178229147 /nfs/dbraw/zinc/22/91/47/178229147.db2.gz CVODPISYHXNEFD-SNVBAGLBSA-N 0 0 240.372 2.263 10 0 BEAERN Cc1cc([C@@H](N)C(F)(F)F)ccc1N ZINC000072191432 178235810 /nfs/dbraw/zinc/23/58/10/178235810.db2.gz FKZFLSJBVJPYAD-MRVPVSSYSA-N 0 0 204.195 2.139 10 0 BEAERN Cc1cc([C@@H]([NH2+]CC2CC2)C(=O)[O-])cc(C)c1O ZINC000037967511 178237929 /nfs/dbraw/zinc/23/79/29/178237929.db2.gz SDHMVYTZHLGGIP-GFCCVEGCSA-N 0 0 249.310 2.134 10 0 BEAERN Cc1cc([C@H](C)N(O)C(N)=O)c(C)s1 ZINC000013762884 178243900 /nfs/dbraw/zinc/24/39/00/178243900.db2.gz RVEUAFACUNFOMT-LURJTMIESA-N 0 0 214.290 2.196 10 0 BEAERN Cc1cc([C@H](C)NC(=O)NO)c(C)s1 ZINC000000012844 178245848 /nfs/dbraw/zinc/24/58/48/178245848.db2.gz IXRMKYBPNGRJCH-LURJTMIESA-N 0 0 214.290 2.114 10 0 BEAERN Cc1cc([C@H](N)C(F)(F)F)ccc1O ZINC000072194641 178260720 /nfs/dbraw/zinc/26/07/20/178260720.db2.gz FHTLIJHRERPKGX-QMMMGPOBSA-N 0 0 205.179 2.263 10 0 BEAERN O[C@@H](C[C@@H]1CO1)c1ccc(Br)cc1 ZINC000616568727 538938076 /nfs/dbraw/zinc/93/80/76/538938076.db2.gz CTKAYPZETSVGEV-ZJUUUORDSA-N 0 0 243.100 2.271 10 0 BEAERN O[C@H](C[C@H]1CO1)c1ccc(Br)cc1 ZINC000616568725 538938086 /nfs/dbraw/zinc/93/80/86/538938086.db2.gz CTKAYPZETSVGEV-VHSXEESVSA-N 0 0 243.100 2.271 10 0 BEAERN CCC(CC)CNC(=O)c1oncc1C ZINC000135479103 168360878 /nfs/dbraw/zinc/36/08/78/168360878.db2.gz YVIZFFNXPRZBSR-UHFFFAOYSA-N 0 0 210.277 2.149 10 0 BEAERN Cc1nn2cnc(C)cc2c1Br ZINC000022003700 178278862 /nfs/dbraw/zinc/27/88/62/178278862.db2.gz GIRSTMGAWVTZDJ-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN Cc1cc2c(NCC[C@@H]3CCCO3)nccn2n1 ZINC000129236144 178281134 /nfs/dbraw/zinc/28/11/34/178281134.db2.gz TXHYLCVTFCBBDL-NSHDSACASA-N 0 0 246.314 2.019 10 0 BEAERN Cc1nn(-c2ccccc2)c2cc(C)[nH]c(=O)c12 ZINC000037633227 178283097 /nfs/dbraw/zinc/28/30/97/178283097.db2.gz YDDLUZKBMVHJBQ-UHFFFAOYSA-N 0 0 239.278 2.331 10 0 BEAERN Cc1cc2c(cc1N)O[C@H](F)C(F)(F)O2 ZINC000091252490 178289759 /nfs/dbraw/zinc/28/97/59/178289759.db2.gz BHJXWQUYMBMQHZ-QMMMGPOBSA-N 0 0 219.162 2.237 10 0 BEAERN Cc1cc2nc(-c3cnn(C)c3N)[nH]c2cc1C ZINC000051847846 178299884 /nfs/dbraw/zinc/29/98/84/178299884.db2.gz NMFMQIZFPHUXAG-UHFFFAOYSA-N 0 0 241.298 2.162 10 0 BEAERN Cc1cc2c(o1)c(=O)n(O)c1ccccc21 ZINC000038417196 178292951 /nfs/dbraw/zinc/29/29/51/178292951.db2.gz ZAEKPGPOQHHCFJ-UHFFFAOYSA-N 0 0 215.208 2.293 10 0 BEAERN CCC(CC)N(C)C(=O)c1cc(N)cnc1C ZINC000038095182 168367454 /nfs/dbraw/zinc/36/74/54/168367454.db2.gz GJJSFEQXQZBYAX-UHFFFAOYSA-N 0 0 235.331 2.233 10 0 BEAERN Cc1ccc(-c2nc(C)[nH]c(=O)c2C)cc1 ZINC000079067349 178332556 /nfs/dbraw/zinc/33/25/56/178332556.db2.gz KRTCTXGRIFOJOS-UHFFFAOYSA-N 0 0 214.268 2.362 10 0 BEAERN Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1N ZINC000041058555 178332714 /nfs/dbraw/zinc/33/27/14/178332714.db2.gz YIPAWXYOOOEEQR-UHFFFAOYSA-N 0 0 216.288 2.486 10 0 BEAERN Cc1ccc(-c2nnc([C@H](C)N)o2)cc1C ZINC000011586138 178341358 /nfs/dbraw/zinc/34/13/58/178341358.db2.gz LRCGCNURPTYXCU-VIFPVBQESA-N 0 0 217.272 2.373 10 0 BEAERN Cc1ccc(-c2ocnc2C(N)=O)c(C)c1 ZINC000206969509 178345305 /nfs/dbraw/zinc/34/53/05/178345305.db2.gz WAYGOBKPKYFBCH-UHFFFAOYSA-N 0 0 216.240 2.057 10 0 BEAERN Cc1cc(C)n(-c2ccc(C)cc2N)n1 ZINC000037401482 178348741 /nfs/dbraw/zinc/34/87/41/178348741.db2.gz LBRZGITYLFUCRM-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1ccc(-c2nc(-c3cnccn3)n[nH]2)cc1 ZINC000026507884 178331788 /nfs/dbraw/zinc/33/17/88/178331788.db2.gz BXTMTPAMAUTDTK-UHFFFAOYSA-N 0 0 237.266 2.237 10 0 BEAERN CC(C)(C)OC(=O)N1CC(C(=O)C(C)(C)C)C1 ZINC000200677893 538949758 /nfs/dbraw/zinc/94/97/58/538949758.db2.gz SFNAATSUAHIIOB-UHFFFAOYSA-N 0 0 241.331 2.469 10 0 BEAERN Cc1ccc(/C=C/c2noc(CN)n2)c(C)c1 ZINC000073641095 178355405 /nfs/dbraw/zinc/35/54/05/178355405.db2.gz WXSJHRVUHUBZON-AATRIKPKSA-N 0 0 229.283 2.316 10 0 BEAERN Cc1ccc(C(=O)N(C)CC2CC(O)C2)c(C)c1 ZINC000091489558 178376608 /nfs/dbraw/zinc/37/66/08/178376608.db2.gz RIXQSVJSQMFCQY-UHFFFAOYSA-N 0 0 247.338 2.146 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@H]2C[C@H]2C)cc1O ZINC000104423967 178378228 /nfs/dbraw/zinc/37/82/28/178378228.db2.gz HMHIMZSXGJREBU-ZYHUDNBSSA-N 0 0 233.311 2.429 10 0 BEAERN C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@@H](C)O1 ZINC000335084557 136232661 /nfs/dbraw/zinc/23/26/61/136232661.db2.gz CLSPTEBDWNCQRS-NXEZZACHSA-N 0 0 225.332 2.058 10 0 BEAERN Cc1ccc(C(=O)N2CCCO2)c(C)c1 ZINC000125459527 178387881 /nfs/dbraw/zinc/38/78/81/178387881.db2.gz AKLSDTHMOJXRLU-UHFFFAOYSA-N 0 0 205.257 2.081 10 0 BEAERN CC(C)CCCn1nc(N)nc1Br ZINC000231802374 538952795 /nfs/dbraw/zinc/95/27/95/538952795.db2.gz DRJNLSYETFLUGL-UHFFFAOYSA-N 0 0 247.140 2.059 10 0 BEAERN Cc1ccc(C(=O)CN2CCCC2)cc1 ZINC000034988750 178372867 /nfs/dbraw/zinc/37/28/67/178372867.db2.gz WYVITBHTGZRJJI-UHFFFAOYSA-N 0 0 203.285 2.274 10 0 BEAERN Cc1ccc(C(=O)CN2CCCO[C@H](C)C2)cc1 ZINC000061919742 178373257 /nfs/dbraw/zinc/37/32/57/178373257.db2.gz WKJKJGSBLHTBKN-CYBMUJFWSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1cccc(-c2cnn3cnc(C)nc23)c1 ZINC000026501472 398269584 /nfs/dbraw/zinc/26/95/84/398269584.db2.gz BAMZJGKNWPDOHM-UHFFFAOYSA-N 0 0 224.267 2.408 10 0 BEAERN Cc1nc2c(-c3ccccc3)cnn2c(C)n1 ZINC000026499500 398269599 /nfs/dbraw/zinc/26/95/99/398269599.db2.gz JPAXEAVHAXKFKT-UHFFFAOYSA-N 0 0 224.267 2.408 10 0 BEAERN O[C@H]1CCC[C@H](CN(CC(F)F)C2CC2)C1 ZINC000381644738 398267985 /nfs/dbraw/zinc/26/79/85/398267985.db2.gz QBSMQAZRFUJCNB-ONGXEEELSA-N 0 0 233.302 2.267 10 0 BEAERN O[C@H]1CCC[C@@H](CN(CC(F)F)C2CC2)C1 ZINC000381644734 398268214 /nfs/dbraw/zinc/26/82/14/398268214.db2.gz QBSMQAZRFUJCNB-KOLCDFICSA-N 0 0 233.302 2.267 10 0 BEAERN CCC(CC)NC(=O)COc1ccc(O)cc1 ZINC000049286302 168377167 /nfs/dbraw/zinc/37/71/67/168377167.db2.gz INNZWEGCLSNTJY-UHFFFAOYSA-N 0 0 237.299 2.076 10 0 BEAERN Nc1n[nH]c(=S)n1C1CCCCCC1 ZINC000070881468 361834179 /nfs/dbraw/zinc/83/41/79/361834179.db2.gz NVHOYIONTXGCOP-UHFFFAOYSA-N 0 0 212.322 2.418 10 0 BEAERN C[C@@H]1CCC[C@H](n2c(N)n[nH]c2=S)C1 ZINC000070881496 361834278 /nfs/dbraw/zinc/83/42/78/361834278.db2.gz FHWDJZWVPZWZAU-RQJHMYQMSA-N 0 0 212.322 2.274 10 0 BEAERN CC(=O)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000405571534 538960603 /nfs/dbraw/zinc/96/06/03/538960603.db2.gz BHFXTRVWKGWHNU-GXSJLCMTSA-N 0 0 241.331 2.469 10 0 BEAERN CC(C)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405726054 538960857 /nfs/dbraw/zinc/96/08/57/538960857.db2.gz RKRNQFBURILCNM-UHFFFAOYSA-N 0 0 227.304 2.269 10 0 BEAERN CCCCCS(=O)(=O)N[C@@H](C)C(C)C ZINC000181394214 538960865 /nfs/dbraw/zinc/96/08/65/538960865.db2.gz PMECGLAOTTZDFT-JTQLQIEISA-N 0 0 221.366 2.141 10 0 BEAERN CCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406088276 538963353 /nfs/dbraw/zinc/96/33/53/538963353.db2.gz DOCULUXOOYLYGT-JTQLQIEISA-N 0 0 235.283 2.280 10 0 BEAERN COCCC[C@@H](C)C(=O)N[C@H](C)C(C)C ZINC000182191510 538962466 /nfs/dbraw/zinc/96/24/66/538962466.db2.gz JXCPZADJLZYYTR-GHMZBOCLSA-N 0 0 215.337 2.210 10 0 BEAERN CC[C@]1(C)N(O)[C@@H](C)C(c2ccccc2)=[N+]1[O-] ZINC000253394062 398279116 /nfs/dbraw/zinc/27/91/16/398279116.db2.gz YARVHMNOGFPZCR-GXFFZTMASA-N 0 0 235.307 2.097 10 0 BEAERN CO[C@@H](c1nc(N)cs1)C(C)(C)C ZINC000158965398 346859975 /nfs/dbraw/zinc/85/99/75/346859975.db2.gz HLIVNWMLZVUODI-ZETCQYMHSA-N 0 0 200.307 2.459 10 0 BEAERN Cc1cc(C)cc(Cn2cc(N)cn2)c1 ZINC000038076801 538964569 /nfs/dbraw/zinc/96/45/69/538964569.db2.gz JRUWPBNXOIGCNO-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN COC(=O)C[C@@H](C)COCc1ccccc1 ZINC000002572571 342725063 /nfs/dbraw/zinc/72/50/63/342725063.db2.gz LQERMHQDNYEWHA-LLVKDONJSA-N 0 0 222.284 2.402 10 0 BEAERN Nc1cc(Cl)cnc1-c1ccsn1 ZINC000306657947 361867740 /nfs/dbraw/zinc/86/77/40/361867740.db2.gz KIESQODLIYCRTE-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000038071850 538964707 /nfs/dbraw/zinc/96/47/07/538964707.db2.gz RWQLGJBATXJROV-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN O=C1Nc2ccncc2N[C@@H]1c1ccccc1 ZINC000005162546 398280304 /nfs/dbraw/zinc/28/03/04/398280304.db2.gz KLAZTVZJRMKRLN-GFCCVEGCSA-N 0 0 225.251 2.187 10 0 BEAERN Nc1ccc(C(=O)c2ccccc2)cc1O ZINC000003624644 342735225 /nfs/dbraw/zinc/73/52/25/342735225.db2.gz GTIBQOVZWUVLOF-UHFFFAOYSA-N 0 0 213.236 2.205 10 0 BEAERN C[C@@H](Nc1ccc(N)cn1)c1cccnc1 ZINC000035692058 342755657 /nfs/dbraw/zinc/75/56/57/342755657.db2.gz NRJMBVQSGZOUIE-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN CCC(CC)NC(=O)c1cc(F)ccc1N ZINC000036882806 168386171 /nfs/dbraw/zinc/38/61/71/168386171.db2.gz OACLTSSXXQASNZ-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN Cc1nn(-c2ccncc2)c(Cl)c1C=O ZINC000035779506 342758619 /nfs/dbraw/zinc/75/86/19/342758619.db2.gz WUPNHWOSFJFFNO-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN CC(C)C(=O)O[C@H]([C@@H](C)CO)C(C)(C)C ZINC000005359094 342762516 /nfs/dbraw/zinc/76/25/16/342762516.db2.gz YXISVHDWGVMPGJ-VHSXEESVSA-N 0 0 216.321 2.229 10 0 BEAERN C[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000005533994 342765516 /nfs/dbraw/zinc/76/55/16/342765516.db2.gz CIVJSJKSCZYHNL-UWVGGRQHSA-N 0 0 237.274 2.075 10 0 BEAERN COC(=O)c1ccc(/C=C/COC(C)=O)cc1 ZINC000146075753 342765886 /nfs/dbraw/zinc/76/58/86/342765886.db2.gz WKUUMXZMUWHGRZ-ONEGZZNKSA-N 0 0 234.251 2.050 10 0 BEAERN COc1cc(C)c(NC(=O)C2CC2)cc1OC ZINC000005616774 342767439 /nfs/dbraw/zinc/76/74/39/342767439.db2.gz SEVCHUNFQJGJPJ-UHFFFAOYSA-N 0 0 235.283 2.361 10 0 BEAERN CCOC(=O)[C@H]1Cc2cc(OC)ccc2C(=O)C1 ZINC000146275575 342767913 /nfs/dbraw/zinc/76/79/13/342767913.db2.gz QMRXULBFPJRJGZ-JTQLQIEISA-N 0 0 248.278 2.003 10 0 BEAERN CCOc1ccc2c(c1)nc(C)cc2NN ZINC000005845479 342770674 /nfs/dbraw/zinc/77/06/74/342770674.db2.gz SSDWYJMOYMHDIS-UHFFFAOYSA-N 0 0 217.272 2.228 10 0 BEAERN C/C=C/[C@H](CF)N1C(=O)c2ccccc2C1=O ZINC000146782730 342771956 /nfs/dbraw/zinc/77/19/56/342771956.db2.gz YYORIIZWGKWFEC-OSOUNJMWSA-N 0 0 233.242 2.197 10 0 BEAERN O=c1cc[nH]c2ccc(Br)c(F)c12 ZINC000147093358 342774030 /nfs/dbraw/zinc/77/40/30/342774030.db2.gz FPVQUQNIVIXRBH-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000184241004 538968534 /nfs/dbraw/zinc/96/85/34/538968534.db2.gz SEBNKHSRBKRQPV-GZMMTYOYSA-N 0 0 235.331 2.085 10 0 BEAERN CCC(C)(CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185519250 538970976 /nfs/dbraw/zinc/97/09/76/538970976.db2.gz KDIKBPJUVRWVTK-LBPRGKRZSA-N 0 0 238.375 2.119 10 0 BEAERN Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1N(C2)NCC3 ZINC000147755935 342780391 /nfs/dbraw/zinc/78/03/91/342780391.db2.gz URQPUQKGGMPUDA-GJZGRUSLSA-N 0 0 244.338 2.297 10 0 BEAERN C=COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000138137171 342781432 /nfs/dbraw/zinc/78/14/32/342781432.db2.gz FNXYQAMMLNPOAE-UHFFFAOYSA-N 0 0 238.239 2.013 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2)CO1 ZINC000401412710 342786569 /nfs/dbraw/zinc/78/65/69/342786569.db2.gz SNQFPGYMXUKNQR-YPMHNXCESA-N 0 0 248.326 2.053 10 0 BEAERN Cc1cc(F)ccc1C1(O)CCC(O)CC1 ZINC000148097373 342787934 /nfs/dbraw/zinc/78/79/34/342787934.db2.gz MQDIRABOBKWXAF-UHFFFAOYSA-N 0 0 224.275 2.257 10 0 BEAERN CC1(C)C[C@H]2CO[C@H](c3ccccc3)N2C1=O ZINC000148850742 342792646 /nfs/dbraw/zinc/79/26/46/342792646.db2.gz JUQSQCLXTWLHLW-NWDGAFQWSA-N 0 0 231.295 2.343 10 0 BEAERN CC(C)Nc1ncnc2c(N)cccc12 ZINC000149229908 342793456 /nfs/dbraw/zinc/79/34/56/342793456.db2.gz XJLNGIRZDLLFSJ-UHFFFAOYSA-N 0 0 202.261 2.032 10 0 BEAERN O=Cc1cc(-c2cncnc2)c(F)cc1F ZINC000149886624 342794599 /nfs/dbraw/zinc/79/45/99/342794599.db2.gz BZMCMCMWYXASML-UHFFFAOYSA-N 0 0 220.178 2.234 10 0 BEAERN CCOC(=O)[C@@H]1CC=C(c2cccc(N)n2)CC1 ZINC000149828544 342794779 /nfs/dbraw/zinc/79/47/79/342794779.db2.gz WYQWVAYKEUYKCK-LLVKDONJSA-N 0 0 246.310 2.410 10 0 BEAERN Nc1ccc2ncc(-c3ccccc3F)n2n1 ZINC000150039190 342795812 /nfs/dbraw/zinc/79/58/12/342795812.db2.gz UCQZOQHJOVRCMQ-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN CCOC(=O)[C@@H]1CC=C(c2ncccn2)CC1 ZINC000150037737 342795834 /nfs/dbraw/zinc/79/58/34/342795834.db2.gz KJRRIAHPHYNMSG-LLVKDONJSA-N 0 0 232.283 2.223 10 0 BEAERN CC[C@@H](NN)[C@H]1CSc2ccccc21 ZINC000126878309 342797407 /nfs/dbraw/zinc/79/74/07/342797407.db2.gz ZFVIURXTQXDKLX-VHSXEESVSA-N 0 0 208.330 2.118 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@H]2CC(C)(C)CO2)o1 ZINC000634582368 342798341 /nfs/dbraw/zinc/79/83/41/342798341.db2.gz QNXMCABZZROOLE-GHMZBOCLSA-N 0 0 238.331 2.449 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C)(C)C1 ZINC000188430704 538978581 /nfs/dbraw/zinc/97/85/81/538978581.db2.gz QHLCCQYWTRZUIK-QWRGUYRKSA-N 0 0 225.332 2.060 10 0 BEAERN CCc1cccc(C(=O)CCC(=O)OC)c1 ZINC000394662270 342812823 /nfs/dbraw/zinc/81/28/23/342812823.db2.gz AGTJYIZIEXGDPT-UHFFFAOYSA-N 0 0 220.268 2.385 10 0 BEAERN CCC(CC)Nc1ccc(N)c2nonc21 ZINC000035675337 168393468 /nfs/dbraw/zinc/39/34/68/168393468.db2.gz JXDWVTGAAQLFEH-UHFFFAOYSA-N 0 0 220.276 2.406 10 0 BEAERN CCC(CC)NC1N=NC(=S)S1 ZINC000020581458 168395226 /nfs/dbraw/zinc/39/52/26/168395226.db2.gz QNROJFJOVFYJTI-UHFFFAOYSA-N 0 0 203.336 2.427 10 0 BEAERN NN[C@@H](c1ccsc1)c1ccccc1 ZINC000097486387 342805443 /nfs/dbraw/zinc/80/54/43/342805443.db2.gz YHDKIGWQJPKKRM-LLVKDONJSA-N 0 0 204.298 2.301 10 0 BEAERN CC(C)(C)c1nc([C@@H]2CC(=O)N2)cs1 ZINC000126970724 342807747 /nfs/dbraw/zinc/80/77/47/342807747.db2.gz VDRAIKFSXOKUMW-LURJTMIESA-N 0 0 210.302 2.002 10 0 BEAERN COCc1cc(N[C@@H](C)C(C)C)ncn1 ZINC000380259758 538988239 /nfs/dbraw/zinc/98/82/39/538988239.db2.gz RDAPSGIMZVMMHR-VIFPVBQESA-N 0 0 209.293 2.079 10 0 BEAERN CC(C)(C)Sc1cc(C(N)=O)ccc1N ZINC000071010017 361930169 /nfs/dbraw/zinc/93/01/69/361930169.db2.gz IFMMWPQROKAPKK-UHFFFAOYSA-N 0 0 224.329 2.258 10 0 BEAERN C[C@H](O)c1nc(-c2cccnc2)cs1 ZINC000071026560 361931399 /nfs/dbraw/zinc/93/13/99/361931399.db2.gz YGWXVOCIKUMQLZ-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN CC(C)c1nnc(Cl)n1C[C@@H]1CCCO1 ZINC000071052580 361936905 /nfs/dbraw/zinc/93/69/05/361936905.db2.gz RPBBVWGLXXOSQJ-QMMMGPOBSA-N 0 0 229.711 2.234 10 0 BEAERN COc1cc(F)ccc1-n1cnnc1Cl ZINC000071056804 361939285 /nfs/dbraw/zinc/93/92/85/361939285.db2.gz PUAJKONZLKVNDF-UHFFFAOYSA-N 0 0 227.626 2.068 10 0 BEAERN CCOc1cccc(-n2cnnc2Cl)c1 ZINC000071056876 361939326 /nfs/dbraw/zinc/93/93/26/361939326.db2.gz KJKDVTXGJUJYDZ-UHFFFAOYSA-N 0 0 223.663 2.319 10 0 BEAERN Cc1nnc(Cl)n1-c1cnn(C(C)C)c1 ZINC000071055334 361939463 /nfs/dbraw/zinc/93/94/63/361939463.db2.gz CJMCBQFISQJKMY-UHFFFAOYSA-N 0 0 225.683 2.007 10 0 BEAERN CCCc1nnc(Cl)n1[C@@H]1CCCOC1 ZINC000071055719 361939646 /nfs/dbraw/zinc/93/96/46/361939646.db2.gz BAMHNBQHMSXRLE-MRVPVSSYSA-N 0 0 229.711 2.236 10 0 BEAERN Cc1cc(-c2nnc(Br)s2)on1 ZINC000071051827 361941685 /nfs/dbraw/zinc/94/16/85/361941685.db2.gz OHHABMCOOHPNJN-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN Brc1nnc([C@@H]2CCCO2)s1 ZINC000071051449 361942010 /nfs/dbraw/zinc/94/20/10/361942010.db2.gz QZBPFIHCDADLCD-BYPYZUCNSA-N 0 0 235.106 2.152 10 0 BEAERN Cc1cccc(NC(=O)[C@H]2CCCO[C@H]2C)c1O ZINC000189805451 538985123 /nfs/dbraw/zinc/98/51/23/538985123.db2.gz VPBOWLQYASTPLF-QWRGUYRKSA-N 0 0 249.310 2.454 10 0 BEAERN NS(=O)(=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000050349586 539010869 /nfs/dbraw/zinc/01/08/69/539010869.db2.gz GQYFPDFPCXPBHI-RYUDHWBXSA-N 0 0 239.340 2.001 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1coc(C2CCC2)n1 ZINC000192508464 538994931 /nfs/dbraw/zinc/99/49/31/538994931.db2.gz VKCDGBWIMYBCQW-APPZFPTMSA-N 0 0 220.272 2.080 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1coc(C2CCC2)n1 ZINC000192508479 538995296 /nfs/dbraw/zinc/99/52/96/538995296.db2.gz VKCDGBWIMYBCQW-CBAPKCEASA-N 0 0 220.272 2.080 10 0 BEAERN CCCCN1Cc2c(cccc2N)C1=O ZINC000058019286 539013759 /nfs/dbraw/zinc/01/37/59/539013759.db2.gz KZXBANWTZJWPKR-UHFFFAOYSA-N 0 0 204.273 2.025 10 0 BEAERN COC(=O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000042304234 361978994 /nfs/dbraw/zinc/97/89/94/361978994.db2.gz YQAZCTUFIYNZAM-JGVFFNPUSA-N 0 0 243.253 2.177 10 0 BEAERN Nc1ccccc1SC[C@@H]1CCOC1 ZINC000042375698 361987643 /nfs/dbraw/zinc/98/76/43/361987643.db2.gz HAGFBJAIZXIBLM-SECBINFHSA-N 0 0 209.314 2.397 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H](C)C1CCCC1 ZINC000725266645 539027062 /nfs/dbraw/zinc/02/70/62/539027062.db2.gz ZMLRJWKHPYZNJV-MRVPVSSYSA-N 0 0 237.303 2.275 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H](C)C1CCCC1 ZINC000725266646 539027145 /nfs/dbraw/zinc/02/71/45/539027145.db2.gz ZMLRJWKHPYZNJV-QMMMGPOBSA-N 0 0 237.303 2.275 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1cscc1Cl ZINC000710475166 539027928 /nfs/dbraw/zinc/02/79/28/539027928.db2.gz QHIQORCKBDEAOT-QMMMGPOBSA-N 0 0 214.677 2.206 10 0 BEAERN Cc1cn(COCCC(C)(C)C)nc1N ZINC000392847906 539028185 /nfs/dbraw/zinc/02/81/85/539028185.db2.gz VHFBPNKWBVMTJK-UHFFFAOYSA-N 0 0 211.309 2.014 10 0 BEAERN CC[C@@]1(C2CCCC2)O[C@]1(C)C(=O)OC ZINC000387649474 539014053 /nfs/dbraw/zinc/01/40/53/539014053.db2.gz KDECQPNCPGXALY-NEPJUHHUSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1nc(N[C@@H]2CCC[C@@H](O)C2)sc1C ZINC000389891114 539018359 /nfs/dbraw/zinc/01/83/59/539018359.db2.gz VZQQQMFXZHRKOT-NXEZZACHSA-N 0 0 226.345 2.475 10 0 BEAERN Fc1ccn2cc(C(F)(F)F)nc2c1 ZINC000079065516 259323315 /nfs/dbraw/zinc/32/33/15/259323315.db2.gz OABZWFHCHHCPDI-UHFFFAOYSA-N 0 0 204.126 2.492 10 0 BEAERN CCC1=[N+]([O-])[C@@H](c2ccccc2)N(O)C1(C)C ZINC000144055992 361998817 /nfs/dbraw/zinc/99/88/17/361998817.db2.gz FZBJXQIMCGXMDM-GFCCVEGCSA-N 0 0 235.307 2.421 10 0 BEAERN CN(Cc1ccccc1Cl)C(N)=S ZINC000042437607 362001660 /nfs/dbraw/zinc/00/16/60/362001660.db2.gz HZKWBTKPXRGIMM-UHFFFAOYSA-N 0 0 214.721 2.015 10 0 BEAERN C[C@@H]1OCC[C@@]1(O)CCc1ccsc1 ZINC000134441925 342854326 /nfs/dbraw/zinc/85/43/26/342854326.db2.gz OHXUAMFAHLSFOL-ONGXEEELSA-N 0 0 212.314 2.221 10 0 BEAERN Cc1ccc(NC2N=NC(=S)S2)cn1 ZINC000164891105 342854817 /nfs/dbraw/zinc/85/48/17/342854817.db2.gz NUJRSRMSIKETIB-UHFFFAOYSA-N 0 0 224.314 2.274 10 0 BEAERN O=c1ccc(-c2sccc2Cl)n[nH]1 ZINC000229973699 342861929 /nfs/dbraw/zinc/86/19/29/342861929.db2.gz OFHRYDTVRPHYFX-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN CCCn1cc([C@@H]2NCCCS2)cn1 ZINC000233449701 342862207 /nfs/dbraw/zinc/86/22/07/342862207.db2.gz MHNNQLOFAMUYLG-SNVBAGLBSA-N 0 0 211.334 2.018 10 0 BEAERN CCOC(=O)c1cc(C2CCCC2)nn1C ZINC000164983739 342863174 /nfs/dbraw/zinc/86/31/74/342863174.db2.gz POKPTDZTWQBXHB-UHFFFAOYSA-N 0 0 222.288 2.254 10 0 BEAERN C[S@](=N)(=O)c1cccc2cccnc21 ZINC000521399513 398304577 /nfs/dbraw/zinc/30/45/77/398304577.db2.gz VKPOJWXMDDJWHR-AWEZNQCLSA-N 0 0 206.270 2.270 10 0 BEAERN O=C1CSC[C@H]1Cc1cccc(F)c1F ZINC000134560083 342865992 /nfs/dbraw/zinc/86/59/92/342865992.db2.gz MKPIEYIDIFJVRW-MRVPVSSYSA-N 0 0 228.263 2.439 10 0 BEAERN CCOc1cc([C@H](CC)NO)ccc1O ZINC000308760799 342867663 /nfs/dbraw/zinc/86/76/63/342867663.db2.gz LLKMMQVREOAXIN-VIFPVBQESA-N 0 0 211.261 2.221 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000132501817 398305591 /nfs/dbraw/zinc/30/55/91/398305591.db2.gz IRSYTWUHKWKHRY-PHDIDXHHSA-N 0 0 217.194 2.316 10 0 BEAERN O=C1CSC[C@@H]1C[C@H](O)c1ccccc1 ZINC000134568033 342868628 /nfs/dbraw/zinc/86/86/28/342868628.db2.gz JUDNHSQCTJZQFD-QWRGUYRKSA-N 0 0 222.309 2.042 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000077102503 398306182 /nfs/dbraw/zinc/30/61/82/398306182.db2.gz OXQURTWYCJLOPI-CHWSQXEVSA-N 0 0 233.311 2.028 10 0 BEAERN CC[C@@H](C)c1nc2c(c(N)n1)CSC2 ZINC000134714988 342878730 /nfs/dbraw/zinc/87/87/30/342878730.db2.gz AJUYRWJPYBZHCM-ZCFIWIBFSA-N 0 0 209.318 2.319 10 0 BEAERN COc1cccc(Br)c1C(N)=S ZINC000165035279 342871241 /nfs/dbraw/zinc/87/12/41/342871241.db2.gz SWTFNACOKOCAND-UHFFFAOYSA-N 0 0 246.129 2.092 10 0 BEAERN CC[C@]1(C)COCCN1C(=O)OC(C)C ZINC000496268818 529408536 /nfs/dbraw/zinc/40/85/36/529408536.db2.gz XRXYQDIPDHJWPE-LLVKDONJSA-N 0 0 215.293 2.032 10 0 BEAERN Cc1ncsc1CC[C@H]1CSC[C@@H]1O ZINC000134656825 342875381 /nfs/dbraw/zinc/87/53/81/342875381.db2.gz WENZCRVEDTUVPD-IUCAKERBSA-N 0 0 229.370 2.108 10 0 BEAERN O[C@@H]1CSC[C@H]1Cc1ccsc1 ZINC000134664114 342875786 /nfs/dbraw/zinc/87/57/86/342875786.db2.gz OBCPMZBZKHQNFZ-RKDXNWHRSA-N 0 0 200.328 2.015 10 0 BEAERN C[C@H]1OCC[C@@H]1N(C)Cc1cnc(Cl)s1 ZINC000134674672 342876168 /nfs/dbraw/zinc/87/61/68/342876168.db2.gz VBTUOVCLVJKDCQ-APPZFPTMSA-N 0 0 246.763 2.406 10 0 BEAERN C[C@@H]1OCC[C@H]1N(C)Cc1cnc(Cl)s1 ZINC000134674647 342876198 /nfs/dbraw/zinc/87/61/98/342876198.db2.gz VBTUOVCLVJKDCQ-IONNQARKSA-N 0 0 246.763 2.406 10 0 BEAERN O[C@@H]1CSC[C@H]1Cc1cccc(F)c1 ZINC000134672473 342876513 /nfs/dbraw/zinc/87/65/13/342876513.db2.gz NBBXNNDNWPLRSD-MWLCHTKSSA-N 0 0 212.289 2.092 10 0 BEAERN CCc1cccc(C)c1NC(=O)CC(C)=O ZINC000033607051 342876536 /nfs/dbraw/zinc/87/65/36/342876536.db2.gz TXIFNAIHABCDSX-UHFFFAOYSA-N 0 0 219.284 2.475 10 0 BEAERN CC(C)Cc1nc2c(c(N)n1)CSC2 ZINC000134710824 342878012 /nfs/dbraw/zinc/87/80/12/342878012.db2.gz DHAQWCYZZUYMIT-UHFFFAOYSA-N 0 0 209.318 2.004 10 0 BEAERN O[C@@H](c1ncc[nH]1)c1sccc1Cl ZINC000229931480 342857257 /nfs/dbraw/zinc/85/72/57/342857257.db2.gz DVEKICAWANKZGS-ZCFIWIBFSA-N 0 0 214.677 2.206 10 0 BEAERN Nc1ccc(-c2sccc2Cl)nn1 ZINC000229945926 342857999 /nfs/dbraw/zinc/85/79/99/342857999.db2.gz YBCAZLOQDLPTDY-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1ccnc(-c2sccc2Cl)n1 ZINC000229945956 342858045 /nfs/dbraw/zinc/85/80/45/342858045.db2.gz CWOXHUMBJADYOW-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN [NH3+][C@H](CC1OCCO1)c1sccc1Cl ZINC000229963715 342859347 /nfs/dbraw/zinc/85/93/47/342859347.db2.gz LRSYBCGXKFEMLI-SSDOTTSWSA-N 0 0 233.720 2.164 10 0 BEAERN Clc1csc(OC2CCOCC2)n1 ZINC000164940079 342859363 /nfs/dbraw/zinc/85/93/63/342859363.db2.gz HOINBXVZSMARGO-UHFFFAOYSA-N 0 0 219.693 2.354 10 0 BEAERN N[C@@H](c1csnn1)c1sccc1Cl ZINC000229961498 342859403 /nfs/dbraw/zinc/85/94/03/342859403.db2.gz FVRBZTYCDIKGBW-LURJTMIESA-N 0 0 231.733 2.301 10 0 BEAERN N[C@H](c1cnsn1)c1sccc1Cl ZINC000229962007 342859422 /nfs/dbraw/zinc/85/94/22/342859422.db2.gz YFRAMUQXWLKCOL-ZCFIWIBFSA-N 0 0 231.733 2.301 10 0 BEAERN COc1c(Cl)ncnc1NC(C)(C)C ZINC000134733169 342880114 /nfs/dbraw/zinc/88/01/14/342880114.db2.gz SZXMIPSWFCKARE-UHFFFAOYSA-N 0 0 215.684 2.349 10 0 BEAERN COc1c(Cl)ncnc1N[C@H](C)C1CC1 ZINC000134740401 342880870 /nfs/dbraw/zinc/88/08/70/342880870.db2.gz NOLYCMPKVJSTCX-ZCFIWIBFSA-N 0 0 227.695 2.349 10 0 BEAERN CCS[C@@H]1CCC[C@@H]1N1CN=NC1=S ZINC000233819580 342884838 /nfs/dbraw/zinc/88/48/38/342884838.db2.gz PIRUSIBMGYQLCD-JGVFFNPUSA-N 0 0 229.374 2.414 10 0 BEAERN CCS[C@H]1CCC[C@@H]1N1CN=NC1=S ZINC000233826373 342887870 /nfs/dbraw/zinc/88/78/70/342887870.db2.gz PIRUSIBMGYQLCD-YUMQZZPRSA-N 0 0 229.374 2.414 10 0 BEAERN CC[C@@H](C)Oc1cc(N)cc(Cl)n1 ZINC000233854824 342891805 /nfs/dbraw/zinc/89/18/05/342891805.db2.gz DTNUGRWWPIFAAK-ZCFIWIBFSA-N 0 0 200.669 2.495 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1ccccc1F ZINC000126630089 344008037 /nfs/dbraw/zinc/00/80/37/344008037.db2.gz KVUOSEPUSAHMKX-ZJUUUORDSA-N 0 0 208.232 2.492 10 0 BEAERN CNc1ccc(Br)cc1C(N)=S ZINC000165253885 342893054 /nfs/dbraw/zinc/89/30/54/342893054.db2.gz NEVGEXYOAYWOPT-UHFFFAOYSA-N 0 0 245.145 2.125 10 0 BEAERN CC[C@H](O)c1ncccc1Br ZINC000133096341 398322131 /nfs/dbraw/zinc/32/21/31/398322131.db2.gz AIRYZCPTPZBRAP-ZETCQYMHSA-N 0 0 216.078 2.288 10 0 BEAERN COc1ccc([C@H]2CCC[C@H]2O)c(OC)c1 ZINC000055233035 259328015 /nfs/dbraw/zinc/32/80/15/259328015.db2.gz APENRJFZANKMHC-ZYHUDNBSSA-N 0 0 222.284 2.332 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1nsnc1Cl ZINC000233919356 342900665 /nfs/dbraw/zinc/90/06/65/342900665.db2.gz RINBFDFLGACHCY-RFZPGFLSSA-N 0 0 203.698 2.402 10 0 BEAERN Cc1ccc(C)c(-c2cc(CO)[nH]n2)c1 ZINC000036157413 178459777 /nfs/dbraw/zinc/45/97/77/178459777.db2.gz CQMIBKMHGGWHAI-UHFFFAOYSA-N 0 0 202.257 2.186 10 0 BEAERN O=C(c1ccc(F)c(F)c1)c1ccc(CO)cn1 ZINC000116458390 342926699 /nfs/dbraw/zinc/92/66/99/342926699.db2.gz MEJDANRSXANWLJ-UHFFFAOYSA-N 0 0 249.216 2.083 10 0 BEAERN CC[C@@H]1CN(C(=O)CCCSC)C[C@@H](C)O1 ZINC000134906043 342926784 /nfs/dbraw/zinc/92/67/84/342926784.db2.gz FAGQFINAFXMAGK-GHMZBOCLSA-N 0 0 245.388 2.156 10 0 BEAERN CSCCCC(=O)N(C)C[C@@H]1CCCOC1 ZINC000134878882 342914104 /nfs/dbraw/zinc/91/41/04/342914104.db2.gz QEXUIQDXFSZOOY-NSHDSACASA-N 0 0 245.388 2.015 10 0 BEAERN CC[C@@H]1OCC[C@H]1c1nc(Cl)ns1 ZINC000233968958 342914898 /nfs/dbraw/zinc/91/48/98/342914898.db2.gz DXFSGIIZRKJDGJ-RITPCOANSA-N 0 0 218.709 2.474 10 0 BEAERN COC(=O)c1ccc(C)c(OC(F)(F)F)n1 ZINC000309228772 342915620 /nfs/dbraw/zinc/91/56/20/342915620.db2.gz VOOZVPISYUSXDB-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Cc1ccc(C)c(C(=O)CSCCO)c1 ZINC000037352764 342929464 /nfs/dbraw/zinc/92/94/64/342929464.db2.gz WIQHDERSYJLVJX-UHFFFAOYSA-N 0 0 224.325 2.212 10 0 BEAERN COCCSCC(=O)c1ccccc1F ZINC000037352358 342929480 /nfs/dbraw/zinc/92/94/80/342929480.db2.gz VRBBTVXQWYLRCS-UHFFFAOYSA-N 0 0 228.288 2.388 10 0 BEAERN Cn1ncc2c1ncnc2NCCC1CCCC1 ZINC000037492673 398329078 /nfs/dbraw/zinc/32/90/78/398329078.db2.gz FHBPUHIAEMKCHO-UHFFFAOYSA-N 0 0 245.330 2.356 10 0 BEAERN Fc1cc(Sc2ccccn2)ncn1 ZINC000150171135 349652344 /nfs/dbraw/zinc/65/23/44/349652344.db2.gz HYRXYPWYLYNEMD-UHFFFAOYSA-N 0 0 207.233 2.162 10 0 BEAERN O=C1OCCN1c1ccc(Br)cc1 ZINC000039365085 398329604 /nfs/dbraw/zinc/32/96/04/398329604.db2.gz FJGPGFCQWYNYPR-UHFFFAOYSA-N 0 0 242.072 2.406 10 0 BEAERN C[C@H](C(=O)N(C)C[C@H]1CCCO1)c1ccccc1 ZINC000120159370 398336970 /nfs/dbraw/zinc/33/69/70/398336970.db2.gz CYQWVPWNGAHKNB-GXTWGEPZSA-N 0 0 247.338 2.428 10 0 BEAERN CNc1ccnc(C(=O)NCc2ccccc2)c1 ZINC000050721599 398333876 /nfs/dbraw/zinc/33/38/76/398333876.db2.gz PVFDIYHZYCMTQO-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN CC(C)Cc1nc2sccc2c(N)n1 ZINC000050841286 398342424 /nfs/dbraw/zinc/34/24/24/398342424.db2.gz OIGJDSNIAOBIEF-UHFFFAOYSA-N 0 0 207.302 2.472 10 0 BEAERN C[C@@H](NC(=O)CC1CCOCC1)C(C)(C)C ZINC000117146771 342945773 /nfs/dbraw/zinc/94/57/73/342945773.db2.gz DGPGRYRZZHLIGD-SNVBAGLBSA-N 0 0 227.348 2.354 10 0 BEAERN O=C1Sc2cc(Br)ccc2C1=O ZINC000144743836 342957006 /nfs/dbraw/zinc/95/70/06/342957006.db2.gz XQCSBORNLGGIBC-UHFFFAOYSA-N 0 0 243.081 2.264 10 0 BEAERN CCCC[N@H+](Cc1oncc1C(=O)[O-])C1CC1 ZINC000304552565 259335335 /nfs/dbraw/zinc/33/53/35/259335335.db2.gz FQIYENKJDKAKAG-UHFFFAOYSA-N 0 0 238.287 2.137 10 0 BEAERN COC(=O)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000036373384 342979983 /nfs/dbraw/zinc/97/99/83/342979983.db2.gz ZXGPZDJHCIMQHY-QPJJXVBHSA-N 0 0 224.643 2.095 10 0 BEAERN O=C(O[C@H]1CC[C@@H](O)CC1)c1ccccc1 ZINC000117457684 342995128 /nfs/dbraw/zinc/99/51/28/342995128.db2.gz LNXMWBSIGLFCEE-HAQNSBGRSA-N 0 0 220.268 2.147 10 0 BEAERN CCOC(=O)c1cc2ccsc2c(N)n1 ZINC000117498253 343000647 /nfs/dbraw/zinc/00/06/47/343000647.db2.gz ASTAMTPTDSETKT-UHFFFAOYSA-N 0 0 222.269 2.055 10 0 BEAERN Cc1ccc(S(=O)(=O)N2C=CCCC2)cc1 ZINC000117570421 343004564 /nfs/dbraw/zinc/00/45/64/343004564.db2.gz QOARLVLZAOPEBM-UHFFFAOYSA-N 0 0 237.324 2.293 10 0 BEAERN Cc1oc(-c2ccc(F)cc2)nc1CCO ZINC000011585337 343009223 /nfs/dbraw/zinc/00/92/23/343009223.db2.gz XEOFBNBBWJTDHH-UHFFFAOYSA-N 0 0 221.231 2.324 10 0 BEAERN Clc1cc(NCc2ccon2)c(Cl)nn1 ZINC000127205721 344023835 /nfs/dbraw/zinc/02/38/35/344023835.db2.gz PFCAPYMHBCNHKU-UHFFFAOYSA-N 0 0 245.069 2.384 10 0 BEAERN COC(=O)c1noc(C(C)C)c1Br ZINC000260723023 349761217 /nfs/dbraw/zinc/76/12/17/349761217.db2.gz WNKUYKXBTUJAKT-UHFFFAOYSA-N 0 0 248.076 2.347 10 0 BEAERN Cc1nc([C@H](C)NC(=O)N[C@H]2C[C@H]2C)cs1 ZINC000408098796 344023466 /nfs/dbraw/zinc/02/34/66/344023466.db2.gz HNCRAWVDGBIFHC-FJXKBIBVSA-N 0 0 239.344 2.220 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOc2ncccc21 ZINC000335985399 136263340 /nfs/dbraw/zinc/26/33/40/136263340.db2.gz PNEGEEYRIDGZRP-GHMZBOCLSA-N 0 0 246.310 2.243 10 0 BEAERN O=C(COCc1ccccc1)C(F)(F)F ZINC000021999448 343032852 /nfs/dbraw/zinc/03/28/52/343032852.db2.gz DZNAGEGGLIKCAG-UHFFFAOYSA-N 0 0 218.174 2.335 10 0 BEAERN CCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1cccnc1 ZINC000191132606 259344989 /nfs/dbraw/zinc/34/49/89/259344989.db2.gz DPYGPZBAJPRVFR-DGCLKSJQSA-N 0 0 248.326 2.250 10 0 BEAERN Cc1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC000235758436 343058566 /nfs/dbraw/zinc/05/85/66/343058566.db2.gz HZEIREVIKOVPCU-UHFFFAOYSA-N 0 0 211.265 2.076 10 0 BEAERN CCOc1cc2cc(CCO)c(C)cc2cn1 ZINC000013207927 343073277 /nfs/dbraw/zinc/07/32/77/343073277.db2.gz MOEQBZHCTCGPJJ-UHFFFAOYSA-N 0 0 231.295 2.477 10 0 BEAERN COc1ccc(O)c(C(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000335944079 536818723 /nfs/dbraw/zinc/81/87/23/536818723.db2.gz MERCDMOYNNOJLP-CABZTGNLSA-N 0 0 247.294 2.025 10 0 BEAERN O=c1nc(-c2ccc(Cl)c(F)c2)[n-]o1 ZINC000043388998 343061652 /nfs/dbraw/zinc/06/16/52/343061652.db2.gz YSZSHYKVHVXNBL-UHFFFAOYSA-N 0 0 214.583 2.235 10 0 BEAERN Cc1nc2ccc(F)cc2nc1-c1cc(N)n[nH]1 ZINC000118912344 343062270 /nfs/dbraw/zinc/06/22/70/343062270.db2.gz XZQHARPHFZJKOV-UHFFFAOYSA-N 0 0 243.245 2.050 10 0 BEAERN C[NH+](C)[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000043391401 343062687 /nfs/dbraw/zinc/06/26/87/343062687.db2.gz QIQQJUMUABJULG-SECBINFHSA-N 0 0 231.654 2.166 10 0 BEAERN Fc1cccc(N2CCC[C@@H](n3cccn3)C2)n1 ZINC000301198402 136264861 /nfs/dbraw/zinc/26/48/61/136264861.db2.gz VHQFDYANFSIDSZ-LLVKDONJSA-N 0 0 246.289 2.259 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)nn1C(C)C ZINC000259305689 343072557 /nfs/dbraw/zinc/07/25/57/343072557.db2.gz IXWSTWXUFUTEDM-UHFFFAOYSA-N 0 0 236.193 2.269 10 0 BEAERN Nc1ccc(C(F)(F)Br)nc1 ZINC000584880185 343080412 /nfs/dbraw/zinc/08/04/12/343080412.db2.gz GHLAKJVRQOKWGE-UHFFFAOYSA-N 0 0 223.020 2.108 10 0 BEAERN O=Cc1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000584880488 343081171 /nfs/dbraw/zinc/08/11/71/343081171.db2.gz AKYGAWQAMQCTNL-UHFFFAOYSA-N 0 0 241.172 2.303 10 0 BEAERN COC(=O)c1cn(C2CCCC2)nc1C ZINC000584880689 343081375 /nfs/dbraw/zinc/08/13/75/343081375.db2.gz HGVFTWAXWLHDKH-UHFFFAOYSA-N 0 0 208.261 2.093 10 0 BEAERN NC(=O)c1cc(Cl)cc(OC(F)F)c1 ZINC000306660705 362021537 /nfs/dbraw/zinc/02/15/37/362021537.db2.gz QUKTXVRVGSWLRE-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN Nc1ccc(-c2ccc(F)cc2C=O)cn1 ZINC000584880968 343081668 /nfs/dbraw/zinc/08/16/68/343081668.db2.gz UAGDPFPHYZSGJH-UHFFFAOYSA-N 0 0 216.215 2.113 10 0 BEAERN Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)C(C)(C)C ZINC000119556461 343084309 /nfs/dbraw/zinc/08/43/09/343084309.db2.gz SETPSWVAKHRCQT-SECBINFHSA-N 0 0 236.315 2.260 10 0 BEAERN CNc1c(N)cnc2c(F)c(C)ccc21 ZINC000584882353 343084600 /nfs/dbraw/zinc/08/46/00/343084600.db2.gz DOLDVKLDOSIBGY-UHFFFAOYSA-N 0 0 205.236 2.306 10 0 BEAERN CCOc1c(F)cncc1Br ZINC000584882375 343084694 /nfs/dbraw/zinc/08/46/94/343084694.db2.gz FWNAUPUEYKBYPX-UHFFFAOYSA-N 0 0 220.041 2.382 10 0 BEAERN CCNc1c2cnn(C(C)C)c2ncc1N ZINC000584882244 343084727 /nfs/dbraw/zinc/08/47/27/343084727.db2.gz WKISODWUUVQAPJ-UHFFFAOYSA-N 0 0 219.292 2.026 10 0 BEAERN Cc1cc(Cl)c2ncc(N)c(N)c2c1 ZINC000584882546 343085123 /nfs/dbraw/zinc/08/51/23/343085123.db2.gz KFFSBIMDZDBSRZ-UHFFFAOYSA-N 0 0 207.664 2.361 10 0 BEAERN CCOC(=O)[C@]1(C)N[C@H](C)Cc2ccsc21 ZINC000584883794 343087056 /nfs/dbraw/zinc/08/70/56/343087056.db2.gz JVUNLQOUBXKWEJ-PRHODGIISA-N 0 0 239.340 2.061 10 0 BEAERN Oc1cccc(-c2n[nH]c(C(F)(F)F)n2)c1 ZINC000072236795 343088908 /nfs/dbraw/zinc/08/89/08/343088908.db2.gz CMKYPLUDVLJWMD-UHFFFAOYSA-N 0 0 229.161 2.196 10 0 BEAERN Cc1c(O)cc(O)c2c1[C@H](C)[C@@H](C)OC2=O ZINC000013460164 343089158 /nfs/dbraw/zinc/08/91/58/343089158.db2.gz PPEPKULENIXILK-IYSWYEEDSA-N 0 0 222.240 2.069 10 0 BEAERN Oc1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000072236796 343089184 /nfs/dbraw/zinc/08/91/84/343089184.db2.gz NNIHHINIMOOBBG-UHFFFAOYSA-N 0 0 229.161 2.196 10 0 BEAERN CC(=O)OCCCC1(CO)CCCCC1 ZINC000144462627 362034186 /nfs/dbraw/zinc/03/41/86/362034186.db2.gz IOBFAYZANSCEOS-UHFFFAOYSA-N 0 0 214.305 2.273 10 0 BEAERN OCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000159449524 343075899 /nfs/dbraw/zinc/07/58/99/343075899.db2.gz GMFLYTWXOJUEMK-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN COC(=O)CCCCCC(=O)C(F)(F)F ZINC000043463867 343077115 /nfs/dbraw/zinc/07/71/15/343077115.db2.gz GFHFAMJHXOUTOI-UHFFFAOYSA-N 0 0 226.194 2.241 10 0 BEAERN CCOC(=O)[C@@H]1Cc2cc(C)cc(C)c2N1 ZINC000260996863 343077550 /nfs/dbraw/zinc/07/75/50/343077550.db2.gz APRWLJCSQYZXOW-NSHDSACASA-N 0 0 219.284 2.203 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cc(Cl)cn1C ZINC000025976617 343098477 /nfs/dbraw/zinc/09/84/77/343098477.db2.gz AWUXCAGFJGWGNZ-QMMMGPOBSA-N 0 0 228.723 2.453 10 0 BEAERN O=C1C=CC(=O)N1CCCCCc1ccccc1 ZINC000013675202 343100776 /nfs/dbraw/zinc/10/07/76/343100776.db2.gz IXTLNSYWWDKHPQ-UHFFFAOYSA-N 0 0 243.306 2.324 10 0 BEAERN CCOC(=O)C(=O)c1ccc(Cl)cc1OC ZINC000043504299 343101084 /nfs/dbraw/zinc/10/10/84/343101084.db2.gz OIYXZAYCOXLLMD-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN CCOC(OCC)C(=O)CCCn1cccc1 ZINC000043504227 343101088 /nfs/dbraw/zinc/10/10/88/343101088.db2.gz KLVLETAEZKZONI-UHFFFAOYSA-N 0 0 239.315 2.237 10 0 BEAERN O=S(=O)(c1ccccc1)[C@@H]1C=CC=CC1 ZINC000142602455 343110765 /nfs/dbraw/zinc/11/07/65/343110765.db2.gz BYQGPULYRWSQPD-GFCCVEGCSA-N 0 0 220.293 2.345 10 0 BEAERN C[C@@H]1C(=O)CCN2c3ccccc3CC[C@H]12 ZINC000013911081 343107303 /nfs/dbraw/zinc/10/73/03/343107303.db2.gz AZJQJBOXQUMXGS-CMPLNLGQSA-N 0 0 215.296 2.417 10 0 BEAERN CC[C@@H](SC[C@H](O)CO)c1ccc(F)cc1 ZINC000177427850 346929259 /nfs/dbraw/zinc/92/92/59/346929259.db2.gz KUYAWUVXDNXYPN-VXGBXAGGSA-N 0 0 244.331 2.363 10 0 BEAERN COC(=O)CCCCCCC/C=C/CO ZINC000014512624 343126149 /nfs/dbraw/zinc/12/61/49/343126149.db2.gz AIHRLDOFCXDRCZ-VQHVLOKHSA-N 0 0 214.305 2.439 10 0 BEAERN CCOC(=O)C1CCC(O)(C(F)(F)F)CC1 ZINC000260499022 343131564 /nfs/dbraw/zinc/13/15/64/343131564.db2.gz NNBCWOPFTICYEF-UHFFFAOYSA-N 0 0 240.221 2.033 10 0 BEAERN Cc1ccsc1[C@@H]1NC(=O)[C@H]2CCCCN21 ZINC000124839287 136271491 /nfs/dbraw/zinc/27/14/91/136271491.db2.gz HVBJPPXGSOFAKJ-MWLCHTKSSA-N 0 0 236.340 2.039 10 0 BEAERN COCCCCCNC(=O)NC1CCCCC1 ZINC000058483069 136271910 /nfs/dbraw/zinc/27/19/10/136271910.db2.gz XCJDMFOAGSOOFK-UHFFFAOYSA-N 0 0 242.363 2.435 10 0 BEAERN C[C@H](SC[C@H](O)CO)c1cc(F)ccc1F ZINC000177443873 346928829 /nfs/dbraw/zinc/92/88/29/346928829.db2.gz XGEAJAQCIVOEBK-IONNQARKSA-N 0 0 248.294 2.112 10 0 BEAERN CO[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC000144750292 343138254 /nfs/dbraw/zinc/13/82/54/343138254.db2.gz JRMHDPZZHCRQIJ-NSHDSACASA-N 0 0 221.256 2.254 10 0 BEAERN COC(=O)[C@@H](c1nccs1)c1ccccc1 ZINC000096584336 343155286 /nfs/dbraw/zinc/15/52/86/343155286.db2.gz QYVWRZQRHVBPFT-SNVBAGLBSA-N 0 0 233.292 2.448 10 0 BEAERN Cc1cnc([C@@H](C)Nc2cccnn2)s1 ZINC000125200813 343165767 /nfs/dbraw/zinc/16/57/67/343165767.db2.gz RSTRKZORDOOKSX-MRVPVSSYSA-N 0 0 220.301 2.415 10 0 BEAERN CC(C)(O)[C@H](O)c1ccc(Cl)cc1 ZINC000145171091 343221865 /nfs/dbraw/zinc/22/18/65/343221865.db2.gz BQOWZQDMFDZXPU-SECBINFHSA-N 0 0 200.665 2.144 10 0 BEAERN COc1ccc(N)c(NCc2ccccn2)c1 ZINC000155650890 343198409 /nfs/dbraw/zinc/19/84/09/343198409.db2.gz XEGBRSWMTVAEAW-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN CNc1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000133411056 343190241 /nfs/dbraw/zinc/19/02/41/343190241.db2.gz ITSUETGXRXWQIX-SECBINFHSA-N 0 0 235.331 2.288 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC(C)(C)C2)O1 ZINC000162540865 136277436 /nfs/dbraw/zinc/27/74/36/136277436.db2.gz KMYJSSOJPUWASU-MXWKQRLJSA-N 0 0 225.332 2.249 10 0 BEAERN CC(=O)c1[nH]c2ccccc2c1N(C)C ZINC000238306753 343255281 /nfs/dbraw/zinc/25/52/81/343255281.db2.gz XXGXQINVCWQVJH-UHFFFAOYSA-N 0 0 202.257 2.437 10 0 BEAERN FC(F)COc1cnc2c(Cl)nccc2n1 ZINC000217078243 343249935 /nfs/dbraw/zinc/24/99/35/343249935.db2.gz NBSKGVHBYACWPK-UHFFFAOYSA-N 0 0 245.616 2.322 10 0 BEAERN CC(C)=C[C@H](CCO)NC(=O)OC(C)(C)C ZINC000238168577 343251443 /nfs/dbraw/zinc/25/14/43/343251443.db2.gz AYNHNTRFLLEEDA-JTQLQIEISA-N 0 0 229.320 2.228 10 0 BEAERN CCOC(=O)[C@@H](Cl)/C=C/[C@H](C)Cl ZINC000238248792 343252971 /nfs/dbraw/zinc/25/29/71/343252971.db2.gz QPNBBYJXULZLDF-UGLWGPHMSA-N 0 0 211.088 2.340 10 0 BEAERN O=[N+]([O-])/C=C1/CCCN1Cc1ccccc1 ZINC000033650158 343258162 /nfs/dbraw/zinc/25/81/62/343258162.db2.gz QGRRJDFZPVWRGG-BENRWUELSA-N 0 0 218.256 2.401 10 0 BEAERN CCOc1cc2sc(=O)[nH]c2c(C)c1 ZINC000033878090 343261965 /nfs/dbraw/zinc/26/19/65/343261965.db2.gz CTPPNXZSWAHPNJ-UHFFFAOYSA-N 0 0 209.270 2.297 10 0 BEAERN Clc1nccc(NCc2ccoc2)n1 ZINC000131062682 343265964 /nfs/dbraw/zinc/26/59/64/343265964.db2.gz AQFCFINUWJNEGT-UHFFFAOYSA-N 0 0 209.636 2.335 10 0 BEAERN CCCc1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000034331491 343267932 /nfs/dbraw/zinc/26/79/32/343267932.db2.gz JDOKMTFQTLPOJN-UHFFFAOYSA-N 0 0 214.268 2.389 10 0 BEAERN CCOC(=O)[C@@H](C)c1ccc(N)c(C)c1 ZINC000200003164 343268073 /nfs/dbraw/zinc/26/80/73/343268073.db2.gz ZLTPFUCQBGELAR-VIFPVBQESA-N 0 0 207.273 2.244 10 0 BEAERN CCOC(=O)c1cnccc1OC(F)(F)F ZINC000309329412 343271019 /nfs/dbraw/zinc/27/10/19/343271019.db2.gz SBVDLPTWRANTDN-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN COC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C1CC1 ZINC000121769925 343276701 /nfs/dbraw/zinc/27/67/01/343276701.db2.gz NTDZJQDODBHZIP-KOLCDFICSA-N 0 0 242.363 2.145 10 0 BEAERN O=C(c1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 ZINC000034744899 343277910 /nfs/dbraw/zinc/27/79/10/343277910.db2.gz GARMVNNMISTRNR-ZDUSSCGKSA-N 0 0 244.246 2.014 10 0 BEAERN O=C([O-])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000034959524 343281940 /nfs/dbraw/zinc/28/19/40/343281940.db2.gz ILBHITUMBJEVES-UHFFFAOYSA-N 0 0 239.274 2.431 10 0 BEAERN Cc1cc(C)nc([C@@H](O)c2ccccc2)n1 ZINC000036460000 343319153 /nfs/dbraw/zinc/31/91/53/343319153.db2.gz IJQGOSDEQRRWNI-LBPRGKRZSA-N 0 0 214.268 2.175 10 0 BEAERN CC[C@](C)(O)[C@@H](O)c1ccc(C)s1 ZINC000234080368 343320547 /nfs/dbraw/zinc/32/05/47/343320547.db2.gz KQZIFBDOOUYEMT-UWVGGRQHSA-N 0 0 200.303 2.251 10 0 BEAERN Cc1n[nH]c(=S)n1Cc1cccs1 ZINC000036667127 343322186 /nfs/dbraw/zinc/32/21/86/343322186.db2.gz JUWIZOCUROOLKM-UHFFFAOYSA-N 0 0 211.315 2.359 10 0 BEAERN CC(C)(C)NC(=O)c1ccc2c(c1)CCN2 ZINC000036895662 343326638 /nfs/dbraw/zinc/32/66/38/343326638.db2.gz OWAMYUHODMOFFI-UHFFFAOYSA-N 0 0 218.300 2.183 10 0 BEAERN C[C@@H](O)c1ccc(N2CCCC2)c(F)c1 ZINC000035631063 343300860 /nfs/dbraw/zinc/30/08/60/343300860.db2.gz BMAIVMDXIWGNRO-SECBINFHSA-N 0 0 209.264 2.479 10 0 BEAERN COC(C)(C)C[C@H](C)Nc1cnn(C)c1 ZINC000035737452 343303066 /nfs/dbraw/zinc/30/30/66/343303066.db2.gz SRZDUFTVNPONJY-VIFPVBQESA-N 0 0 211.309 2.036 10 0 BEAERN CCOC(=O)[C@H](C#N)c1cc(F)cc(OC)c1 ZINC000146624147 343305270 /nfs/dbraw/zinc/30/52/70/343305270.db2.gz BBJUMMDFVHGQFB-LLVKDONJSA-N 0 0 237.230 2.005 10 0 BEAERN Cc1csc(NC[C@H]2CCCOC2)n1 ZINC000038046411 343367338 /nfs/dbraw/zinc/36/73/38/343367338.db2.gz IHNNCYVQWWGWLH-SECBINFHSA-N 0 0 212.318 2.290 10 0 BEAERN N[C@H](c1cnc2ccccc2c1)c1cnccn1 ZINC000037761878 343354334 /nfs/dbraw/zinc/35/43/34/343354334.db2.gz VPODSAXKJBLBHK-CQSZACIVSA-N 0 0 236.278 2.073 10 0 BEAERN C[C@@H]1OCC[C@@H]1c1ccc2c(c1)C[NH2+]C2 ZINC000147807904 343380235 /nfs/dbraw/zinc/38/02/35/343380235.db2.gz BQCBSDHTCZGICW-ZANVPECISA-N 0 0 203.285 2.182 10 0 BEAERN CCO[P@H](=O)C(C)(OCC)OCC ZINC000149233064 343424452 /nfs/dbraw/zinc/42/44/52/343424452.db2.gz NEYAQKCSAQSWCV-UHFFFAOYSA-N 0 0 210.210 2.244 10 0 BEAERN CCOc1ccc(C(=O)OC)c(F)c1F ZINC000039100221 343383500 /nfs/dbraw/zinc/38/35/00/343383500.db2.gz YIOLKQBNNNWTGC-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CCc1cc2cc(S(C)(=O)=O)ccc2o1 ZINC000039102525 343384361 /nfs/dbraw/zinc/38/43/61/343384361.db2.gz DGQGMGUUJADDIQ-UHFFFAOYSA-N 0 0 224.281 2.399 10 0 BEAERN CCC1=C2N=c3sc(C)nc3=C2[C@H](C)C=C1 ZINC000039102945 343384445 /nfs/dbraw/zinc/38/44/45/343384445.db2.gz WZELXDLOIOMGFR-SSDOTTSWSA-N 0 0 230.336 2.105 10 0 BEAERN COC(=O)c1sc2c(cccc2OC)c1N ZINC000039150983 343386041 /nfs/dbraw/zinc/38/60/41/343386041.db2.gz BLTJTHNKXRDDCN-UHFFFAOYSA-N 0 0 237.280 2.279 10 0 BEAERN CCS(=O)(=O)c1cccc2cccnc21 ZINC000039140502 343386250 /nfs/dbraw/zinc/38/62/50/343386250.db2.gz KIVAQTZNTPQGBY-UHFFFAOYSA-N 0 0 221.281 2.028 10 0 BEAERN COC(=O)/C=C\c1ccc(C(F)(F)F)cc1N ZINC000148620742 343394087 /nfs/dbraw/zinc/39/40/87/343394087.db2.gz AKLLEXKUYCBJED-HYXAFXHYSA-N 0 0 245.200 2.474 10 0 BEAERN Cc1nc2[nH]ccc2c(N[C@@H]2C[C@@H]2C)n1 ZINC000080979036 343415560 /nfs/dbraw/zinc/41/55/60/343415560.db2.gz PCRXIIOXNSIBPN-IMTBSYHQSA-N 0 0 202.261 2.087 10 0 BEAERN CCOP(=O)(OCC)c1ccccc1C=O ZINC000166316231 343418284 /nfs/dbraw/zinc/41/82/84/343418284.db2.gz KKZDEUPBNMGCDL-UHFFFAOYSA-N 0 0 242.211 2.391 10 0 BEAERN CSc1[nH]nc2ncnc(NCC(C)C)c21 ZINC000041528553 343421238 /nfs/dbraw/zinc/42/12/38/343421238.db2.gz XZABPPOQYPKZFB-UHFFFAOYSA-N 0 0 237.332 2.143 10 0 BEAERN CC(C)Cn1ncc2cc(F)c(CO)cc21 ZINC000149302819 343424982 /nfs/dbraw/zinc/42/49/82/343424982.db2.gz VUKPMFHZLJRIOU-UHFFFAOYSA-N 0 0 222.263 2.324 10 0 BEAERN CCN(C(=O)N1C[C@@H]2CCC[C@H]21)C(C)C ZINC000335729893 136348638 /nfs/dbraw/zinc/34/86/38/136348638.db2.gz CQYUGNSCHLYGNC-WDEREUQCSA-N 0 0 210.321 2.321 10 0 BEAERN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCC12CCCC2 ZINC000335716022 136339326 /nfs/dbraw/zinc/33/93/26/136339326.db2.gz LZDKLJHWUZLBLA-MNOVXSKESA-N 0 0 248.326 2.136 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOCC2(CC2)C1 ZINC000335716989 136339721 /nfs/dbraw/zinc/33/97/21/136339721.db2.gz NMJAALAKXUDQNC-NWDGAFQWSA-N 0 0 237.343 2.062 10 0 BEAERN Cc1cnc(Sc2nsnc2Cl)nc1 ZINC000042404753 343436249 /nfs/dbraw/zinc/43/62/49/343436249.db2.gz UTLGZNGPOZIAHQ-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN Cc1ccccc1-c1nc2c(c(=O)[nH]1)CCC2 ZINC000042401093 343436340 /nfs/dbraw/zinc/43/63/40/343436340.db2.gz NZTWSQMPNGVKJK-UHFFFAOYSA-N 0 0 226.279 2.234 10 0 BEAERN O=C(c1n[nH]c2ccccc21)N1C[C@@H]2CCC[C@@H]21 ZINC000349350917 136342601 /nfs/dbraw/zinc/34/26/01/136342601.db2.gz PPASWMJMUHJBQZ-CABZTGNLSA-N 0 0 241.294 2.187 10 0 BEAERN CC[C@H](C)CNc1nc(C)cc(OC)n1 ZINC000166526599 136357513 /nfs/dbraw/zinc/35/75/13/136357513.db2.gz NRRCEOPNAOFMJB-QMMMGPOBSA-N 0 0 209.293 2.252 10 0 BEAERN Cc1nsc(C)c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000335897106 136359139 /nfs/dbraw/zinc/35/91/39/136359139.db2.gz LIUWDVRSLJDRCU-UWVGGRQHSA-N 0 0 236.340 2.384 10 0 BEAERN O=C([C@H]1CC1(Cl)Cl)N1C[C@H]2CC[C@H]1C2 ZINC000249768284 136373683 /nfs/dbraw/zinc/37/36/83/136373683.db2.gz RBXKTGXRJJYASH-BIIVOSGPSA-N 0 0 234.126 2.191 10 0 BEAERN CCc1ccc(C[NH2+]C[C@@H](C)CC(=O)[O-])cc1 ZINC000258985973 136374156 /nfs/dbraw/zinc/37/41/56/136374156.db2.gz YOAREWBRLVEWPW-NSHDSACASA-N 0 0 235.327 2.449 10 0 BEAERN CC[C@H](Nc1ncnc2nc[nH]c21)C(C)C ZINC000042591080 343444933 /nfs/dbraw/zinc/44/49/33/343444933.db2.gz DAZNNBDNQYLYLL-QMMMGPOBSA-N 0 0 219.292 2.199 10 0 BEAERN CC(C)CNc1nnc(Br)s1 ZINC000060311942 343479033 /nfs/dbraw/zinc/47/90/33/343479033.db2.gz PPTMVGAXLHMLJK-UHFFFAOYSA-N 0 0 236.138 2.369 10 0 BEAERN Cc1ccc2ncn(CC(C)(C)O)c2c1 ZINC000203059365 343497293 /nfs/dbraw/zinc/49/72/93/343497293.db2.gz FMLYMJMXKQBPCL-UHFFFAOYSA-N 0 0 204.273 2.116 10 0 BEAERN Cn1cc(-c2cccc(Br)n2)cn1 ZINC000044120530 343492131 /nfs/dbraw/zinc/49/21/31/343492131.db2.gz HBBQJRLVMWCYTH-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN CN(Cc1ccc(F)cc1)C(=O)NCCCF ZINC000123939856 343520509 /nfs/dbraw/zinc/52/05/09/343520509.db2.gz YSKVLFMPASCEDJ-UHFFFAOYSA-N 0 0 242.269 2.327 10 0 BEAERN C[N@@H+]1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616622848 343524387 /nfs/dbraw/zinc/52/43/87/343524387.db2.gz INUUQJVBXMEVTB-LLVKDONJSA-N 0 0 205.305 2.041 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1cnoc1 ZINC000616623847 343524400 /nfs/dbraw/zinc/52/44/00/343524400.db2.gz KCLBCDTWKLNRSA-LLVKDONJSA-N 0 0 208.261 2.138 10 0 BEAERN CC(C)[N@@H+]1CCCOC[C@H]1c1ccncc1 ZINC000616644424 343530626 /nfs/dbraw/zinc/53/06/26/343530626.db2.gz DAOOKDDOGQKZLT-ZDUSSCGKSA-N 0 0 220.316 2.253 10 0 BEAERN COC(=O)[C@H](C)c1cc(F)c([N+](=O)[O-])cc1F ZINC000203451641 343530784 /nfs/dbraw/zinc/53/07/84/343530784.db2.gz DXZJRVWSKLTNPE-RXMQYKEDSA-N 0 0 245.181 2.150 10 0 BEAERN CC(C)(C)N1CCOCC[C@H]1OC(F)(F)F ZINC000616656214 343531766 /nfs/dbraw/zinc/53/17/66/343531766.db2.gz LZLBKKQDCAEREX-MRVPVSSYSA-N 0 0 241.253 2.370 10 0 BEAERN CC(=O)N1CCO[C@@H](c2ccc(F)cc2)CC1 ZINC000616666494 343533748 /nfs/dbraw/zinc/53/37/48/343533748.db2.gz VLBCYPBRIZWUSZ-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CCOC(=O)N1C[C@H](C(C)=O)Cc2ccccc21 ZINC000616671902 343534907 /nfs/dbraw/zinc/53/49/07/343534907.db2.gz WOQKHCNZPCIURE-GFCCVEGCSA-N 0 0 247.294 2.411 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@@H]1OC ZINC000616683041 343536457 /nfs/dbraw/zinc/53/64/57/343536457.db2.gz BHUKKNBUJKBSEJ-NSHDSACASA-N 0 0 236.271 2.048 10 0 BEAERN CC(C)N1CCc2ccccc2[C@H]1c1conn1 ZINC000616678409 343536541 /nfs/dbraw/zinc/53/65/41/343536541.db2.gz HQLYPTLIAQYVQP-AWEZNQCLSA-N 0 0 243.310 2.426 10 0 BEAERN Cc1nccnc1N[C@H]1CCc2cc(N)ccc21 ZINC000214520703 343536588 /nfs/dbraw/zinc/53/65/88/343536588.db2.gz VNYSHXPROZPBPF-ZDUSSCGKSA-N 0 0 240.310 2.467 10 0 BEAERN COC(=O)N1C[C@H](C)Nc2ccccc21 ZINC000616686387 343538022 /nfs/dbraw/zinc/53/80/22/343538022.db2.gz YKJCRMNYXFUWIC-QMMMGPOBSA-N 0 0 206.245 2.073 10 0 BEAERN COC(=O)Cc1c(F)cc(Cl)cc1OC ZINC000166845281 343575475 /nfs/dbraw/zinc/57/54/75/343575475.db2.gz OSQIVPCXELJJPD-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN COc1ccccc1C[C@@H](C)N(C)N(C)C ZINC000019167766 343554288 /nfs/dbraw/zinc/55/42/88/343554288.db2.gz RTUPOJMYINSHHS-LLVKDONJSA-N 0 0 222.332 2.035 10 0 BEAERN COc1ccc(N)c(CCc2ccccn2)c1 ZINC000165421461 343556423 /nfs/dbraw/zinc/55/64/23/343556423.db2.gz IJWXNJIKZAZNJU-UHFFFAOYSA-N 0 0 228.295 2.458 10 0 BEAERN CCn1ccnc1[C@@H]1NCCc2ccsc21 ZINC000712501090 537787569 /nfs/dbraw/zinc/78/75/69/537787569.db2.gz KZLBDXAZWXNQHS-SNVBAGLBSA-N 0 0 233.340 2.200 10 0 BEAERN CC(C)[C@H](C)CNC(=O)c1ncncc1Cl ZINC000176903459 534945190 /nfs/dbraw/zinc/94/51/90/534945190.db2.gz KKSUFUXSVMUZDK-MRVPVSSYSA-N 0 0 241.722 2.152 10 0 BEAERN CC(=O)[C@H](C)n1nc(C)c(Cl)c1C ZINC000050587279 343617080 /nfs/dbraw/zinc/61/70/80/343617080.db2.gz OMMQSPMKZOAUIE-LURJTMIESA-N 0 0 200.669 2.303 10 0 BEAERN COc1cc([C@@H](NO)C(F)(F)F)ccc1F ZINC000309499434 343620825 /nfs/dbraw/zinc/62/08/25/343620825.db2.gz GGPRTKZPQSVFAE-MRVPVSSYSA-N 0 0 239.168 2.417 10 0 BEAERN COC(=O)c1cnc(C)c(OC(F)(F)F)c1 ZINC000309497976 343620871 /nfs/dbraw/zinc/62/08/71/343620871.db2.gz FNJSSRQAHYUUQU-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CCc1nn2c(c1Br)N[C@@H](C)CC2 ZINC000234185895 343620925 /nfs/dbraw/zinc/62/09/25/343620925.db2.gz ULUOBMGCHGOLMB-LURJTMIESA-N 0 0 244.136 2.412 10 0 BEAERN CCn1ccc2ccc(C(N)=S)cc21 ZINC000234180602 343621112 /nfs/dbraw/zinc/62/11/12/343621112.db2.gz KQYVCIMFAMNJJQ-UHFFFAOYSA-N 0 0 204.298 2.295 10 0 BEAERN CCn1ccc2c1cccc2C(N)=S ZINC000234180339 343602122 /nfs/dbraw/zinc/60/21/22/343602122.db2.gz JJCINLUSNRUAFL-UHFFFAOYSA-N 0 0 204.298 2.295 10 0 BEAERN COC(=O)c1ccc(C(=O)C2CC2)c(C)c1 ZINC000309509482 343643458 /nfs/dbraw/zinc/64/34/58/343643458.db2.gz ODVKVSRJRJYVHT-UHFFFAOYSA-N 0 0 218.252 2.374 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1ccncc1 ZINC000616613411 349824703 /nfs/dbraw/zinc/82/47/03/349824703.db2.gz XHDWMXDUTZRMGG-LLVKDONJSA-N 0 0 220.272 2.375 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)o2)CCS1 ZINC000123537448 537795204 /nfs/dbraw/zinc/79/52/04/537795204.db2.gz TXVWFTYPCAHZDF-MRVPVSSYSA-N 0 0 211.286 2.034 10 0 BEAERN CC[C@H](O)OC[C@H](C)Oc1ccccc1 ZINC000198861448 343677803 /nfs/dbraw/zinc/67/78/03/343677803.db2.gz FWRGCSBAKVECHW-CMPLNLGQSA-N 0 0 210.273 2.199 10 0 BEAERN CC[C@@H]1CC[C@]2(C1)O[C@@]2(Cl)C(=O)OC ZINC000300033131 537801653 /nfs/dbraw/zinc/80/16/53/537801653.db2.gz WPGCOQAXCKFZHO-QNSHHTMESA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000300033231 537801830 /nfs/dbraw/zinc/80/18/30/537801830.db2.gz WYEHYWGPUYUNIV-UUTMEEIUSA-N 0 0 232.707 2.320 10 0 BEAERN COC(Cc1ccnn1-c1ccccc1)OC ZINC000198962756 343679233 /nfs/dbraw/zinc/67/92/33/343679233.db2.gz HLGUHWMOGJTWQS-UHFFFAOYSA-N 0 0 232.283 2.034 10 0 BEAERN O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](O)C1 ZINC000077102764 343665790 /nfs/dbraw/zinc/66/57/90/343665790.db2.gz KJTYDYJPXRBMPW-UONOGXRCSA-N 0 0 247.338 2.039 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCc1ccco1 ZINC000055473314 343670400 /nfs/dbraw/zinc/67/04/00/343670400.db2.gz AYOJPSSQMXEMPX-SNVBAGLBSA-N 0 0 209.289 2.373 10 0 BEAERN CC(C)n1ccc(CN2[C@H](C)COC[C@@H]2C)n1 ZINC000077366784 343690873 /nfs/dbraw/zinc/69/08/73/343690873.db2.gz ZQZXBCZEVIHVNN-TXEJJXNPSA-N 0 0 237.347 2.073 10 0 BEAERN CCC1(CC)c2cc(N)ccc2NC1=O ZINC000075604976 168454166 /nfs/dbraw/zinc/45/41/66/168454166.db2.gz JDHLNUPXYUEBNW-UHFFFAOYSA-N 0 0 204.273 2.279 10 0 BEAERN CNc1nnc(-c2ccc(Cl)s2)n1C ZINC000159004038 346958224 /nfs/dbraw/zinc/95/82/24/346958224.db2.gz BCZDZFTZTWNGMU-UHFFFAOYSA-N 0 0 228.708 2.239 10 0 BEAERN CC(C)n1c2ccccc2nc1NC[C@@H](C)O ZINC000000513225 346953238 /nfs/dbraw/zinc/95/32/38/346953238.db2.gz JVZYEUVCHFWOCQ-SNVBAGLBSA-N 0 0 233.315 2.410 10 0 BEAERN CC(C)(O)C(=O)c1c[nH]c2ccccc12 ZINC000107144948 343705624 /nfs/dbraw/zinc/70/56/24/343705624.db2.gz CWIGLURFGFFIRX-UHFFFAOYSA-N 0 0 203.241 2.122 10 0 BEAERN C[C@@H]1C[C@H](C)n2nc3ccc(N)cc3c2N1 ZINC000300029540 537802713 /nfs/dbraw/zinc/80/27/13/537802713.db2.gz PBYMSUPKGFKESQ-SFYZADRCSA-N 0 0 216.288 2.384 10 0 BEAERN O[C@@]1(C(F)F)CCc2c1cccc2F ZINC000215014597 349850711 /nfs/dbraw/zinc/85/07/11/349850711.db2.gz MPKAPJFPAPOEDM-JTQLQIEISA-N 0 0 202.175 2.225 10 0 BEAERN c1ccc(N2CCN([C@@H]3CCCCO3)CC2)cc1 ZINC000166688592 343720485 /nfs/dbraw/zinc/72/04/85/343720485.db2.gz DRFHLFBXSHZAKA-HNNXBMFYSA-N 0 0 246.354 2.335 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1C(=O)Cc1ccoc1 ZINC000127339328 343723553 /nfs/dbraw/zinc/72/35/53/343723553.db2.gz FGTOTTXVAQEOTR-WDEREUQCSA-N 0 0 221.300 2.469 10 0 BEAERN CC(C)NC(=O)CSC1Cc2ccccc2C1 ZINC000127389498 343724680 /nfs/dbraw/zinc/72/46/80/343724680.db2.gz GMJXQUKCJJEQAX-UHFFFAOYSA-N 0 0 249.379 2.412 10 0 BEAERN CN(CC1CC1)c1nc(Cl)nc(Cl)n1 ZINC000061518450 343725692 /nfs/dbraw/zinc/72/56/92/343725692.db2.gz PWDSGKNNXNFHHP-UHFFFAOYSA-N 0 0 233.102 2.025 10 0 BEAERN C[C@H](O)c1c(F)cncc1Br ZINC000166744769 343751654 /nfs/dbraw/zinc/75/16/54/343751654.db2.gz TWSVIKMZGVJRFX-BYPYZUCNSA-N 0 0 220.041 2.037 10 0 BEAERN Cn1cc(Cl)cc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000335871518 344037133 /nfs/dbraw/zinc/03/71/33/344037133.db2.gz BXTBZDJVAPQQMQ-WPRPVWTQSA-N 0 0 238.718 2.303 10 0 BEAERN O=Cc1ncn2c1CO[C@@H](c1cccs1)C2 ZINC000409428042 343802458 /nfs/dbraw/zinc/80/24/58/343802458.db2.gz LGNGKRPYKBOWHM-SNVBAGLBSA-N 0 0 234.280 2.029 10 0 BEAERN COc1cc(OC)cc([C@@H]2NCCS2)c1 ZINC000035416540 343779602 /nfs/dbraw/zinc/77/96/02/343779602.db2.gz SWDFKTPJWKUBOS-LLVKDONJSA-N 0 0 225.313 2.039 10 0 BEAERN Cc1nc(N)cc(-c2ccccc2F)n1 ZINC000044119480 343780677 /nfs/dbraw/zinc/78/06/77/343780677.db2.gz CORQHVIALRYBEA-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN c1c2n(nc1C1CCCCC1)CC[NH2+]C2 ZINC000106885646 343785830 /nfs/dbraw/zinc/78/58/30/343785830.db2.gz DUPXOBRZYYEMRV-UHFFFAOYSA-N 0 0 205.305 2.034 10 0 BEAERN FC(F)COc1ncccc1Br ZINC000130736247 343788399 /nfs/dbraw/zinc/78/83/99/343788399.db2.gz VDNGGMPABNYHAX-UHFFFAOYSA-N 0 0 238.031 2.488 10 0 BEAERN O[C@@H](Cc1ncc[nH]1)c1ccc(Cl)s1 ZINC000051172971 346974093 /nfs/dbraw/zinc/97/40/93/346974093.db2.gz SXACWTIQAPQESC-LURJTMIESA-N 0 0 228.704 2.401 10 0 BEAERN COC[C@@H]1CCCCN1c1cc(Cl)ncn1 ZINC000307763981 343790057 /nfs/dbraw/zinc/79/00/57/343790057.db2.gz KQPSIYZQQRPECP-VIFPVBQESA-N 0 0 241.722 2.135 10 0 BEAERN CCn1nc(-c2ccccc2)cc1C=O ZINC000213459251 343792358 /nfs/dbraw/zinc/79/23/58/343792358.db2.gz GVGOMJVRYNYWBZ-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN Cc1cc(C(F)F)c(C(=O)[O-])c(C)n1 ZINC000238499307 343795871 /nfs/dbraw/zinc/79/58/71/343795871.db2.gz IWDBEQMEVLBTHZ-UHFFFAOYSA-N 0 0 201.172 2.334 10 0 BEAERN CCOc1ccccc1-c1cc(=O)[nH]cn1 ZINC000300051582 343796896 /nfs/dbraw/zinc/79/68/96/343796896.db2.gz NXTPFJDLWOEYPG-UHFFFAOYSA-N 0 0 216.240 2.248 10 0 BEAERN FC1(F)CCCN(c2cc(Cl)ncn2)C1 ZINC000404759806 343811979 /nfs/dbraw/zinc/81/19/79/343811979.db2.gz HQKFEHXVYHAGPE-UHFFFAOYSA-N 0 0 233.649 2.366 10 0 BEAERN Nc1cc[nH+]c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC000409422911 343814282 /nfs/dbraw/zinc/81/42/82/343814282.db2.gz MDDGXLWHFPZOCG-UHFFFAOYSA-N 0 0 229.239 2.106 10 0 BEAERN COC(=O)c1ccccc1C(=O)C(F)(F)Cl ZINC000309197582 346981464 /nfs/dbraw/zinc/98/14/64/346981464.db2.gz ATXFDHICOMSYJZ-UHFFFAOYSA-N 0 0 248.612 2.488 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C1CC1)C1CCSCC1 ZINC000409425936 343820743 /nfs/dbraw/zinc/82/07/43/343820743.db2.gz BIBXGMWCERCZKI-NSHDSACASA-N 0 0 243.372 2.210 10 0 BEAERN C[C@H](Oc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000409432139 343825032 /nfs/dbraw/zinc/82/50/32/343825032.db2.gz UHSWQCFZZHVQQF-QMMMGPOBSA-N 0 0 232.239 2.028 10 0 BEAERN COc1ccc(Cc2cc(=O)[nH]c(C)n2)cc1 ZINC000409428458 343803818 /nfs/dbraw/zinc/80/38/18/343803818.db2.gz FSWHCKKVIMKNDE-UHFFFAOYSA-N 0 0 230.267 2.090 10 0 BEAERN Nc1ccccc1N1CC[C@H](C(F)F)C1 ZINC000409429010 343804626 /nfs/dbraw/zinc/80/46/26/343804626.db2.gz NNMGCVKSDFYSDQ-QMMMGPOBSA-N 0 0 212.243 2.360 10 0 BEAERN FCC1CN(c2cc(Cl)nc(C3CC3)n2)C1 ZINC000409432785 343827419 /nfs/dbraw/zinc/82/74/19/343827419.db2.gz WKPZCFKHZGTFCL-UHFFFAOYSA-N 0 0 241.697 2.413 10 0 BEAERN FC1(F)CCN(c2cc(Cl)ncn2)CC1 ZINC000382771343 343809673 /nfs/dbraw/zinc/80/96/73/343809673.db2.gz NTXHUFMQWODZTC-UHFFFAOYSA-N 0 0 233.649 2.366 10 0 BEAERN COC(=N)Cn1ccc(-c2ccsc2)n1 ZINC000409440667 343852934 /nfs/dbraw/zinc/85/29/34/343852934.db2.gz NUCRXXKPAKCKBC-UHFFFAOYSA-N 0 0 221.285 2.235 10 0 BEAERN CC(C)Cc1[nH]nc(C2CCC2)c1CCO ZINC000409439912 343853342 /nfs/dbraw/zinc/85/33/42/343853342.db2.gz KTTZJVMAPIXSLW-UHFFFAOYSA-N 0 0 222.332 2.411 10 0 BEAERN CCc1[nH]nc(C2CC2)c1CCC(=N)OC ZINC000409439963 343853884 /nfs/dbraw/zinc/85/38/84/343853884.db2.gz LEBKDDAIAATYPM-UHFFFAOYSA-N 0 0 221.304 2.406 10 0 BEAERN Nc1cccnc1N1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433745 343830344 /nfs/dbraw/zinc/83/03/44/343830344.db2.gz ZCSMUFVXFITLGW-DTWKUNHWSA-N 0 0 239.269 2.145 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(C)(F)F)C1 ZINC000409433399 343832734 /nfs/dbraw/zinc/83/27/34/343832734.db2.gz YEEPSCZVBTUDQZ-DTWKUNHWSA-N 0 0 235.274 2.217 10 0 BEAERN CC1(CF)CCN(c2ccc(N)cn2)CC1 ZINC000409435350 343833352 /nfs/dbraw/zinc/83/33/52/343833352.db2.gz UGCFATREXGGYNN-UHFFFAOYSA-N 0 0 223.295 2.240 10 0 BEAERN O=Cc1cc2n(ccn2C2CCCC2)n1 ZINC000409437188 343842238 /nfs/dbraw/zinc/84/22/38/343842238.db2.gz DCNCUHHCNZEQDZ-UHFFFAOYSA-N 0 0 203.245 2.063 10 0 BEAERN COc1ccc(-c2cc(=S)[nH]c(=O)[nH]2)cc1 ZINC000409437163 343842425 /nfs/dbraw/zinc/84/24/25/343842425.db2.gz CUHZPKCWYPDECU-UHFFFAOYSA-N 0 0 234.280 2.147 10 0 BEAERN [NH3+]Cc1cc(-c2ccoc2)nc(C2CC2)n1 ZINC000409437399 343842872 /nfs/dbraw/zinc/84/28/72/343842872.db2.gz GDTFUXYNZYQLOS-UHFFFAOYSA-N 0 0 215.256 2.073 10 0 BEAERN O=c1cc(-c2ccsc2)[n-]n1[C@H]1CCC[NH2+]C1 ZINC000409438438 343844221 /nfs/dbraw/zinc/84/42/21/343844221.db2.gz LHYJJGBTWPHTQU-JTQLQIEISA-N 0 0 249.339 2.242 10 0 BEAERN Cc1ccc(-c2cc(=S)[nH]c(=O)n2C)c(C)c1 ZINC000409438782 343845301 /nfs/dbraw/zinc/84/53/01/343845301.db2.gz OQEPMHBZXXCATG-UHFFFAOYSA-N 0 0 246.335 2.353 10 0 BEAERN OCc1c(-c2ccoc2)n[nH]c1C1CCC1 ZINC000409442123 343857499 /nfs/dbraw/zinc/85/74/99/343857499.db2.gz WTGFEPOXZFLXCY-UHFFFAOYSA-N 0 0 218.256 2.430 10 0 BEAERN CCn1c(=O)[nH]c(=S)cc1-c1ccc(C)o1 ZINC000409439572 343847970 /nfs/dbraw/zinc/84/79/70/343847970.db2.gz SDPHUXUWWCKGJG-UHFFFAOYSA-N 0 0 236.296 2.120 10 0 BEAERN O=c1[nH]c(=S)cc(-c2ccsc2)[nH]1 ZINC000409439597 343848062 /nfs/dbraw/zinc/84/80/62/343848062.db2.gz SJPXVXPCEMBMSZ-UHFFFAOYSA-N 0 0 210.283 2.199 10 0 BEAERN CCn1nc(-c2ccccn2)c2c1CCC2 ZINC000409437745 343849046 /nfs/dbraw/zinc/84/90/46/343849046.db2.gz IIWZKIMRWVTTFO-UHFFFAOYSA-N 0 0 213.284 2.454 10 0 BEAERN COC(=N)CCc1c[nH]nc1-c1ccncc1 ZINC000409437817 343849050 /nfs/dbraw/zinc/84/90/50/343849050.db2.gz AETUBGNSZFBEEA-UHFFFAOYSA-N 0 0 230.271 2.028 10 0 BEAERN Cc1ccc(-c2cc(=O)[nH]c(=O)n2C(C)C)o1 ZINC000409437968 343849504 /nfs/dbraw/zinc/84/95/04/343849504.db2.gz JSTODKDWJDQJEF-UHFFFAOYSA-N 0 0 234.255 2.098 10 0 BEAERN Cc1cc(Br)cnc1[C@H](C)O ZINC000215405363 349878172 /nfs/dbraw/zinc/87/81/72/349878172.db2.gz FQXNXNVBFFTSKK-LURJTMIESA-N 0 0 216.078 2.206 10 0 BEAERN COC(=N)Cn1ccn2nc(C3CCC3)cc12 ZINC000409438380 343850838 /nfs/dbraw/zinc/85/08/38/343850838.db2.gz MLNJAEVXMNKUCR-UHFFFAOYSA-N 0 0 232.287 2.027 10 0 BEAERN CCc1[nH]nc(-c2ccccc2)c1CCO ZINC000409440341 343851712 /nfs/dbraw/zinc/85/17/12/343851712.db2.gz MWFRCVOMQLNCEP-UHFFFAOYSA-N 0 0 216.284 2.174 10 0 BEAERN CC(C)n1c(=O)cc(CC(C)(C)C)[nH]c1=O ZINC000575622681 343877712 /nfs/dbraw/zinc/87/77/12/343877712.db2.gz PSWWRHCYDQNCAR-UHFFFAOYSA-N 0 0 224.304 2.118 10 0 BEAERN Cc1nccnc1-c1ccc(C=O)s1 ZINC000585144589 343879632 /nfs/dbraw/zinc/87/96/32/343879632.db2.gz WONWIHUMNRWHSQ-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN OCc1c(C2CC2)[nH]nc1C1CCCC1 ZINC000409442407 343857852 /nfs/dbraw/zinc/85/78/52/343857852.db2.gz ZOXSIVBTRAKNJZ-UHFFFAOYSA-N 0 0 206.289 2.437 10 0 BEAERN CC(C)c1n[nH]c(C(C)C)c1CCC(N)=O ZINC000409442281 343857904 /nfs/dbraw/zinc/85/79/04/343857904.db2.gz YMTICGFMHHIQJT-UHFFFAOYSA-N 0 0 223.320 2.074 10 0 BEAERN CC(C)Cn1nc(C(F)(F)F)cc1N ZINC000409441504 343859615 /nfs/dbraw/zinc/85/96/15/343859615.db2.gz YULUMFWTCXRWRF-UHFFFAOYSA-N 0 0 207.199 2.140 10 0 BEAERN COC(=N)CCc1c[nH]nc1-c1ccccn1 ZINC000409441712 343860437 /nfs/dbraw/zinc/86/04/37/343860437.db2.gz STNCEGAKUDTSDL-UHFFFAOYSA-N 0 0 230.271 2.028 10 0 BEAERN COc1cccc(Cc2nnc(Cl)o2)c1 ZINC000157795533 343860600 /nfs/dbraw/zinc/86/06/00/343860600.db2.gz MWKFCFRXGBCLOC-UHFFFAOYSA-N 0 0 224.647 2.322 10 0 BEAERN COc1cccc([C@@H](C(=N)NO)n2cccc2)c1 ZINC000409441798 343861099 /nfs/dbraw/zinc/86/10/99/343861099.db2.gz RCNBZYLLEFWTDG-LBPRGKRZSA-N 0 0 245.282 2.042 10 0 BEAERN CC(C)Cn1nc(-c2ccccn2)cc1C=O ZINC000409443994 343864136 /nfs/dbraw/zinc/86/41/36/343864136.db2.gz YAGGQPIITSHKHN-UHFFFAOYSA-N 0 0 229.283 2.414 10 0 BEAERN CC(C)Cn1nc(-c2cccnc2)cc1C=O ZINC000409442810 343864458 /nfs/dbraw/zinc/86/44/58/343864458.db2.gz AYMMADJUNCZLMU-UHFFFAOYSA-N 0 0 229.283 2.414 10 0 BEAERN COCCn1nc(-c2ccsc2)cc1C=O ZINC000409443304 343866610 /nfs/dbraw/zinc/86/66/10/343866610.db2.gz KWZFTVVSXHZOTK-UHFFFAOYSA-N 0 0 236.296 2.071 10 0 BEAERN O=Cc1cc(-c2ccccn2)nn1C(F)F ZINC000409443372 343867089 /nfs/dbraw/zinc/86/70/89/343867089.db2.gz LWTHIPMISUDEAA-UHFFFAOYSA-N 0 0 223.182 2.153 10 0 BEAERN Nc1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O ZINC000575622334 343869284 /nfs/dbraw/zinc/86/92/84/343869284.db2.gz IVDOMKSOIPYZDE-UHFFFAOYSA-N 0 0 239.637 2.224 10 0 BEAERN Cc1nc(N)cc([C@@H](C)c2ccccc2)n1 ZINC000575621824 343870381 /nfs/dbraw/zinc/87/03/81/343870381.db2.gz BJWMHRKXYKRZQQ-VIFPVBQESA-N 0 0 213.284 2.349 10 0 BEAERN CC(C)n1c(=O)cc(C2CCCC2)[nH]c1=O ZINC000575621998 343870816 /nfs/dbraw/zinc/87/08/16/343870816.db2.gz CLOPFEZONRGRTQ-UHFFFAOYSA-N 0 0 222.288 2.187 10 0 BEAERN CC(C)(C)Cc1cc(=O)n(C(C)(C)C)c(=O)[nH]1 ZINC000575622891 343875245 /nfs/dbraw/zinc/87/52/45/343875245.db2.gz YIKMGLNKBCVXSV-UHFFFAOYSA-N 0 0 238.331 2.293 10 0 BEAERN C[C@@H](O)C(=O)c1cscc1Br ZINC000235262957 343891887 /nfs/dbraw/zinc/89/18/87/343891887.db2.gz RXHIGXUFWOHCKG-SCSAIBSYSA-N 0 0 235.102 2.074 10 0 BEAERN CC(=O)c1cnc([C@H]2CSCCN2C)s1 ZINC000234331760 343941651 /nfs/dbraw/zinc/94/16/51/343941651.db2.gz CHNVZQQBYOYZTQ-MRVPVSSYSA-N 0 0 242.369 2.065 10 0 BEAERN Cc1cccc(Oc2nncs2)c1N ZINC000069967100 343945278 /nfs/dbraw/zinc/94/52/78/343945278.db2.gz VJXJWWHPIDWEDF-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN Cc1cc(Oc2nncs2)ccc1N ZINC000069967078 343945280 /nfs/dbraw/zinc/94/52/80/343945280.db2.gz MFEVXHPKNMTLCZ-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN CC[C@@H](Nc1ncnc2c1ncn2C)C(C)C ZINC000624502820 343912798 /nfs/dbraw/zinc/91/27/98/343912798.db2.gz NYGCDCNPQLMNLQ-SECBINFHSA-N 0 0 233.319 2.210 10 0 BEAERN CC[C@H](Nc1ncnc2c1ncn2C)C(C)C ZINC000624502821 343912913 /nfs/dbraw/zinc/91/29/13/343912913.db2.gz NYGCDCNPQLMNLQ-VIFPVBQESA-N 0 0 233.319 2.210 10 0 BEAERN C1CC(SC2CCOCC2)CCO1 ZINC000128883152 343933972 /nfs/dbraw/zinc/93/39/72/343933972.db2.gz JSDKIBUXFFKRTG-UHFFFAOYSA-N 0 0 202.319 2.078 10 0 BEAERN Cc1ccc(-c2nnc(Br)o2)o1 ZINC000157863762 344055987 /nfs/dbraw/zinc/05/59/87/344055987.db2.gz NOTSOQOKAVROSV-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN CNc1ncc(C)c(N(C)Cc2ccccc2)n1 ZINC000127239648 344063381 /nfs/dbraw/zinc/06/33/81/344063381.db2.gz LOHCYECURDWNPJ-UHFFFAOYSA-N 0 0 242.326 2.463 10 0 BEAERN C=CC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000214711444 344070004 /nfs/dbraw/zinc/07/00/04/344070004.db2.gz QLNDFYZOUMOFLQ-GFCCVEGCSA-N 0 0 216.284 2.321 10 0 BEAERN Cc1nc([C@@H]2NC[C@H](C)CS2)cs1 ZINC000126791429 344103341 /nfs/dbraw/zinc/10/33/41/344103341.db2.gz PDZOQTLVURCQBM-IMTBSYHQSA-N 0 0 214.359 2.423 10 0 BEAERN C[C@H](Nc1cc(C2CC2)ncn1)[C@H]1CCCO1 ZINC000641280848 362343711 /nfs/dbraw/zinc/34/37/11/362343711.db2.gz JRFGYUCVHYLARD-JOYOIKCWSA-N 0 0 233.315 2.333 10 0 BEAERN Cc1nc([C@@H]2NC[C@@H](C)S2)cs1 ZINC000126782172 344099610 /nfs/dbraw/zinc/09/96/10/344099610.db2.gz BQRPVBWGSFSVFZ-SVGQVSJJSA-N 0 0 200.332 2.175 10 0 BEAERN Fc1cncc(-c2nc(Cl)ns2)c1 ZINC000230113572 344169527 /nfs/dbraw/zinc/16/95/27/344169527.db2.gz CVERFTIOCQZRBT-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN COc1ccc(C=O)cc1SC(=O)N(C)C ZINC000215180156 344120421 /nfs/dbraw/zinc/12/04/21/344120421.db2.gz HUWGYBIWOFZUGS-UHFFFAOYSA-N 0 0 239.296 2.281 10 0 BEAERN CC(C)(C)OC(=O)NCc1ccc(Cl)nn1 ZINC000215894045 344135024 /nfs/dbraw/zinc/13/50/24/344135024.db2.gz IMQKBRYBVPDDJQ-UHFFFAOYSA-N 0 0 243.694 2.155 10 0 BEAERN C[C@@H](O)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000215937300 344135652 /nfs/dbraw/zinc/13/56/52/344135652.db2.gz YCTHTGCKEXSUBT-LHLIQPBNSA-N 0 0 218.655 2.283 10 0 BEAERN Cc1nnc(Cl)n1CC1(C)CCOCC1 ZINC000235804371 344136045 /nfs/dbraw/zinc/13/60/45/344136045.db2.gz VXABOJWCPVOPLE-UHFFFAOYSA-N 0 0 229.711 2.057 10 0 BEAERN CC(C)(C)n1ncc([N+](=O)[O-])c1Br ZINC000257934271 344144911 /nfs/dbraw/zinc/14/49/11/344144911.db2.gz KONPPPQGNRDYNO-UHFFFAOYSA-N 0 0 248.080 2.309 10 0 BEAERN CO[C@H]1C[C@H](OCc2ccccc2)[C@@H](C)O1 ZINC000216532644 344148632 /nfs/dbraw/zinc/14/86/32/344148632.db2.gz ASXNFYGRGJWZTE-KGYLQXTDSA-N 0 0 222.284 2.353 10 0 BEAERN COc1cc(Cl)c2c(c1Cl)C(=O)NCC2 ZINC000217955443 344209778 /nfs/dbraw/zinc/20/97/78/344209778.db2.gz TYLYIHPCZPVFIA-UHFFFAOYSA-N 0 0 246.093 2.288 10 0 BEAERN CCC[C@H](C)C(=O)Nc1ncc(N)cc1OC ZINC000616572460 344184296 /nfs/dbraw/zinc/18/42/96/344184296.db2.gz NBCPJZJJJJYQHZ-QMMMGPOBSA-N 0 0 237.303 2.047 10 0 BEAERN O[C@@H](C[C@@H]1CO1)c1cccc(Br)c1 ZINC000616573229 344185061 /nfs/dbraw/zinc/18/50/61/344185061.db2.gz ZFXJAMRMPCWLCY-ZJUUUORDSA-N 0 0 243.100 2.271 10 0 BEAERN Cc1ccc(NC(=O)C(C)C)c(C)c1C[NH3+] ZINC000616574264 344186779 /nfs/dbraw/zinc/18/67/79/344186779.db2.gz YRYMHKLVZZEFFB-UHFFFAOYSA-N 0 0 220.316 2.357 10 0 BEAERN Cc1c(Cl)cccc1-n1cc(C=O)nn1 ZINC000085272242 344204469 /nfs/dbraw/zinc/20/44/69/344204469.db2.gz SXBAFLZVMQCGRE-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN Cc1ccc(C[C@@H]2COCCC2=O)cc1 ZINC000076639126 178649621 /nfs/dbraw/zinc/64/96/21/178649621.db2.gz JCZVKRSVJBMXKR-GFCCVEGCSA-N 0 0 204.269 2.143 10 0 BEAERN COP(=O)(OC)[C@H](O)c1ccc(F)cc1 ZINC000090556564 344270516 /nfs/dbraw/zinc/27/05/16/344270516.db2.gz KBGSFLPVYJDWMS-VIFPVBQESA-N 0 0 234.163 2.303 10 0 BEAERN O=C1OCCN1Cc1cnc(Cl)cc1Cl ZINC000166005898 344271610 /nfs/dbraw/zinc/27/16/10/344271610.db2.gz FACQZVPRVNKJLD-UHFFFAOYSA-N 0 0 247.081 2.341 10 0 BEAERN O=c1[nH]nc(Cl)cc1-c1ccsc1 ZINC000236074171 344294594 /nfs/dbraw/zinc/29/45/94/344294594.db2.gz UECLAZOIHAACGI-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN Cc1ccnc(N[C@H]2CCc3cc(N)ccc32)n1 ZINC000094093139 344325938 /nfs/dbraw/zinc/32/59/38/344325938.db2.gz GLPYLOWQUNEFAL-ZDUSSCGKSA-N 0 0 240.310 2.467 10 0 BEAERN N#Cc1ccc(C=O)c(OC(F)(F)F)c1 ZINC000143570365 344332465 /nfs/dbraw/zinc/33/24/65/344332465.db2.gz KYKXFTDREREDDV-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN NN[C@@H](c1ccoc1)c1ccc(Cl)o1 ZINC000236282191 344332948 /nfs/dbraw/zinc/33/29/48/344332948.db2.gz SAWKQZUTKBQIQU-VIFPVBQESA-N 0 0 212.636 2.079 10 0 BEAERN CCCC[C@@H](O)/C=C/[C@H]1COC(C)(C)O1 ZINC000095611780 344354634 /nfs/dbraw/zinc/35/46/34/344354634.db2.gz QCTQIMIMMAUENY-SFEFJYQLSA-N 0 0 214.305 2.245 10 0 BEAERN Fc1cc(F)c(N[C@@H]2CCSC2)nc1F ZINC000236176501 344307349 /nfs/dbraw/zinc/30/73/49/344307349.db2.gz KVNBGNQBIBMXDN-RXMQYKEDSA-N 0 0 234.246 2.416 10 0 BEAERN CC(=O)OCCCCCC(=O)OC(C)(C)C ZINC000219986611 344307734 /nfs/dbraw/zinc/30/77/34/344307734.db2.gz UGYZWVJXTPUHHJ-UHFFFAOYSA-N 0 0 230.304 2.452 10 0 BEAERN CC(=O)N1CC(C)(C)c2c1cccc2F ZINC000147026278 344373462 /nfs/dbraw/zinc/37/34/62/344373462.db2.gz VHARGIHOSKJWPM-UHFFFAOYSA-N 0 0 207.248 2.470 10 0 BEAERN O[C@H](c1cnc(C(F)(F)F)s1)C(F)F ZINC000236513251 344393240 /nfs/dbraw/zinc/39/32/40/344393240.db2.gz XCZKNJKOSWECHF-GSVOUGTGSA-N 0 0 233.161 2.460 10 0 BEAERN NN[C@@H](c1ccc(F)cc1Cl)C1CC1 ZINC000097522180 344398690 /nfs/dbraw/zinc/39/86/90/344398690.db2.gz HLZOUZXIMBJZQC-SNVBAGLBSA-N 0 0 214.671 2.394 10 0 BEAERN COC(=O)c1ccc([C@@H](O)CC2CC2)cc1 ZINC000205496410 344407261 /nfs/dbraw/zinc/40/72/61/344407261.db2.gz FORTUDDXCHVETJ-LBPRGKRZSA-N 0 0 220.268 2.307 10 0 BEAERN COc1ccc(C(=O)C(F)F)cc1C ZINC000234880836 344435768 /nfs/dbraw/zinc/43/57/68/344435768.db2.gz OLXVRKUARRZQBQ-UHFFFAOYSA-N 0 0 200.184 2.451 10 0 BEAERN CC[C@@H](C)C(=O)c1c(O)cc(O)c(C)c1O ZINC000014593822 344419369 /nfs/dbraw/zinc/41/93/69/344419369.db2.gz XGJQNJPFHJCFDN-ZCFIWIBFSA-N 0 0 224.256 2.341 10 0 BEAERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000055910224 344449104 /nfs/dbraw/zinc/44/91/04/344449104.db2.gz UIJYZTLNZJBWHI-WCQYABFASA-N 0 0 239.359 2.306 10 0 BEAERN O=[N+]([O-])c1c(CF)ccnc1OC(F)(F)F ZINC000380980869 344463744 /nfs/dbraw/zinc/46/37/44/344463744.db2.gz INRDXAHWACFDNF-UHFFFAOYSA-N 0 0 240.112 2.358 10 0 BEAERN CC(C)c1ncc(NC(=O)[C@H]2CC[C@H](C)O2)cn1 ZINC000408330818 344511297 /nfs/dbraw/zinc/51/12/97/344511297.db2.gz KNUMHDXRYVYPHI-GXSJLCMTSA-N 0 0 249.314 2.106 10 0 BEAERN Cl/C=C/CN1CC[C@H](Oc2cccnc2)C1 ZINC000152312208 344517897 /nfs/dbraw/zinc/51/78/97/344517897.db2.gz XWYPOGKEXJICPE-PWFBRDGFSA-N 0 0 238.718 2.287 10 0 BEAERN Cl/C=C/CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152312136 344517923 /nfs/dbraw/zinc/51/79/23/344517923.db2.gz XWYPOGKEXJICPE-ROLFPQFPSA-N 0 0 238.718 2.287 10 0 BEAERN C[C@H](C[N@H+](C)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536780 344518660 /nfs/dbraw/zinc/51/86/60/344518660.db2.gz QUURYKHPWPTLCP-NXEZZACHSA-N 0 0 249.301 2.464 10 0 BEAERN COC(=O)N1CCCC[C@H]1OC(F)(F)F ZINC000616616924 344556620 /nfs/dbraw/zinc/55/66/20/344556620.db2.gz ZDENUNKZHHXNKR-ZCFIWIBFSA-N 0 0 227.182 2.101 10 0 BEAERN CC1CC[NH+](CC(=O)C2CCCC2)CC1 ZINC000158163887 344558259 /nfs/dbraw/zinc/55/82/59/344558259.db2.gz VJIKCZQNGIRLGP-UHFFFAOYSA-N 0 0 209.333 2.478 10 0 BEAERN Cc1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000029327961 344562992 /nfs/dbraw/zinc/56/29/92/344562992.db2.gz PRDLUXCOTPJFJA-UHFFFAOYSA-N 0 0 228.295 2.431 10 0 BEAERN COc1ccc([C@@H](O)C(F)F)c(F)c1 ZINC000158232774 344569641 /nfs/dbraw/zinc/56/96/41/344569641.db2.gz AJYWXFWZASRIJZ-MRVPVSSYSA-N 0 0 206.163 2.133 10 0 BEAERN OCc1cncc(OC(F)F)c1C(F)(F)F ZINC000396097842 344599085 /nfs/dbraw/zinc/59/90/85/344599085.db2.gz PKBYFIOZVIMZPR-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN O=Cc1ccc([N+](=O)[O-])cc1OC(F)(F)F ZINC000396097213 344598776 /nfs/dbraw/zinc/59/87/76/344598776.db2.gz OJQLFGKVFGUPQK-UHFFFAOYSA-N 0 0 235.117 2.306 10 0 BEAERN CCOC(=O)Cc1c(C)ccc(O)c1C ZINC000396096594 344598794 /nfs/dbraw/zinc/59/87/94/344598794.db2.gz MUEPLAATNFZLQC-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN COC(=O)CCc1ccc(C)cc1[N+](=O)[O-] ZINC000396020376 344584102 /nfs/dbraw/zinc/58/41/02/344584102.db2.gz HRCBGVUASQIECS-UHFFFAOYSA-N 0 0 223.228 2.009 10 0 BEAERN CC[C@@H](C)NC(=O)c1ccc(C)nc1C ZINC000048369393 344588828 /nfs/dbraw/zinc/58/88/28/344588828.db2.gz NDAVNMRJKYWEND-MRVPVSSYSA-N 0 0 206.289 2.227 10 0 BEAERN COC(=O)c1ccc(OC(F)F)c(F)c1F ZINC000396122657 344608976 /nfs/dbraw/zinc/60/89/76/344608976.db2.gz XKDYIEMETCXDNE-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN CN(C)c1cccc(O)c1OC(F)(F)F ZINC000396127912 344610349 /nfs/dbraw/zinc/61/03/49/344610349.db2.gz SBYBBGPCSMXISS-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN COC(=O)c1nccc(OC(F)F)c1Cl ZINC000396133804 344612332 /nfs/dbraw/zinc/61/23/32/344612332.db2.gz BGJFMULCGRMPFS-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(C)c1C#N ZINC000396136221 344613664 /nfs/dbraw/zinc/61/36/64/344613664.db2.gz LCSXSPBJJATLCR-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(C)c1C#N ZINC000396138182 344614088 /nfs/dbraw/zinc/61/40/88/344614088.db2.gz QQEGNLKUGFTVBH-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN COc1ncc(-c2ccc([N+](=O)[O-])s2)cn1 ZINC000396138781 344614559 /nfs/dbraw/zinc/61/45/59/344614559.db2.gz QJYBXYOVWVIMEQ-UHFFFAOYSA-N 0 0 237.240 2.122 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C#N)cc1C ZINC000396139196 344614769 /nfs/dbraw/zinc/61/47/69/344614769.db2.gz TYLHESOBILVFAN-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(C#N)c1C ZINC000396139844 344615062 /nfs/dbraw/zinc/61/50/62/344615062.db2.gz WCYDSIDHXXHGGW-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN N#Cc1ccc(OC(F)(F)F)c(F)c1N ZINC000396145465 344618546 /nfs/dbraw/zinc/61/85/46/344618546.db2.gz STCYCHUKEQECMR-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)c1cc(F)cc(C#N)c1F ZINC000396141139 344616017 /nfs/dbraw/zinc/61/60/17/344616017.db2.gz DCIATUCDRHYXSW-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(F)c1C#N ZINC000396142154 344616307 /nfs/dbraw/zinc/61/63/07/344616307.db2.gz HMPCZYLMUWQDTD-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN Cc1ccc(F)cc1NCC(=O)NC(C)(C)C ZINC000020053470 178691344 /nfs/dbraw/zinc/69/13/44/178691344.db2.gz KGGFNUOWNXPXMD-UHFFFAOYSA-N 0 0 238.306 2.461 10 0 BEAERN CCOC(=O)c1c(Cl)ccc(O)c1C#N ZINC000396143626 344617182 /nfs/dbraw/zinc/61/71/82/344617182.db2.gz MVLJFKKOXNDNRN-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN CCc1ccc(CC(=O)OC)c(C)c1C#N ZINC000396144161 344617347 /nfs/dbraw/zinc/61/73/47/344617347.db2.gz COXGNMKBMVMVTG-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)Cc1c(Cl)ccc(C#N)c1F ZINC000396144105 344617456 /nfs/dbraw/zinc/61/74/56/344617456.db2.gz CERKEVJBBQWMKK-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1ccnc([C@H](C)CC)n1 ZINC000300730826 537853413 /nfs/dbraw/zinc/85/34/13/537853413.db2.gz IOIYIMSRVKJTSF-MRVPVSSYSA-N 0 0 208.261 2.167 10 0 BEAERN N#CCc1cc(N)c(C(F)(F)F)c(F)c1 ZINC000396102565 344602719 /nfs/dbraw/zinc/60/27/19/344602719.db2.gz QJKRTYJEDARHJC-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN COc1c(N)cc(OC(F)(F)F)cc1F ZINC000396105467 344603286 /nfs/dbraw/zinc/60/32/86/344603286.db2.gz OOYQBQWSHCOJAL-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN N#Cc1cccc(OC(F)(F)F)c1C=O ZINC000396107628 344603817 /nfs/dbraw/zinc/60/38/17/344603817.db2.gz XCKSXPZBLAJOAQ-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(OC)c1C#N ZINC000396145110 344618118 /nfs/dbraw/zinc/61/81/18/344618118.db2.gz FYTLWNPSTVKRCK-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc(F)n1 ZINC000396112382 344605978 /nfs/dbraw/zinc/60/59/78/344605978.db2.gz LXIXTYYKRLQLJM-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN CCOC(=O)c1cc(C)cc(F)c1[N+](=O)[O-] ZINC000396115568 344606344 /nfs/dbraw/zinc/60/63/44/344606344.db2.gz IBMGQHHUEMBZQD-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOC(=O)c1cc(C)c([N+](=O)[O-])c(F)c1 ZINC000396115629 344606355 /nfs/dbraw/zinc/60/63/55/344606355.db2.gz IFSACSPUHIZECA-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN Nc1cc(F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000396121520 344608472 /nfs/dbraw/zinc/60/84/72/344608472.db2.gz VGXKIUNKRFCBLE-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN O=C(CN1CCCSCC1)c1cccs1 ZINC000050157660 344650366 /nfs/dbraw/zinc/65/03/66/344650366.db2.gz USTHHHOJLHMPMB-UHFFFAOYSA-N 0 0 241.381 2.370 10 0 BEAERN CNC(=S)N[C@@H]1CCCCC[C@H]1C ZINC000127838395 344661755 /nfs/dbraw/zinc/66/17/55/344661755.db2.gz KRBPYBQASKCCCA-RKDXNWHRSA-N 0 0 200.351 2.049 10 0 BEAERN CCOC(=O)c1c(O)cc(C#N)cc1CC ZINC000396145547 344619186 /nfs/dbraw/zinc/61/91/86/344619186.db2.gz TUCBBGFWBHXEGY-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)Cc1ccc(F)c(C#N)c1Cl ZINC000396145883 344619241 /nfs/dbraw/zinc/61/92/41/344619241.db2.gz IEZYPIOLAGBDEC-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1c(O)cc(Cl)cc1C#N ZINC000396145920 344619577 /nfs/dbraw/zinc/61/95/77/344619577.db2.gz VDNGOONWSHSSFV-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN CCOC(=O)Cc1ccc(O)c(C#N)c1Cl ZINC000396146614 344619983 /nfs/dbraw/zinc/61/99/83/344619983.db2.gz KFNHRFYUIRCWNT-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN COC(=O)c1cc(C)c(Cl)cc1[N+](=O)[O-] ZINC000396147039 344620592 /nfs/dbraw/zinc/62/05/92/344620592.db2.gz KPVQYWXUALPWNS-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCc1c(C)c(C#N)ccc1CC(=O)OC ZINC000396147504 344621055 /nfs/dbraw/zinc/62/10/55/344621055.db2.gz LWSSMNHYYZSCTQ-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN COC(=O)Cc1c(F)cc(C#N)cc1Cl ZINC000396148187 344621490 /nfs/dbraw/zinc/62/14/90/344621490.db2.gz MOJDGXDLRLDKFI-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(C)c1F ZINC000396148355 344622401 /nfs/dbraw/zinc/62/24/01/344622401.db2.gz ZLQQRNRFUDUGGV-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)c1c(F)cc(C#N)cc1C(F)F ZINC000396149273 344623017 /nfs/dbraw/zinc/62/30/17/344623017.db2.gz IBHMOLFDCPNMAC-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1cc(F)c(C#N)cc1C(=O)OC ZINC000396150211 344623311 /nfs/dbraw/zinc/62/33/11/344623311.db2.gz ARQNIULCTJPWFM-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)c1c(C#N)ccc(OC)c1Cl ZINC000396151219 344624198 /nfs/dbraw/zinc/62/41/98/344624198.db2.gz QOPBORAGDOKRSE-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCc1ccc(C(=O)OC)c(C#N)c1C ZINC000396152102 344624590 /nfs/dbraw/zinc/62/45/90/344624590.db2.gz CTZVSTRHKHNMPG-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)Cc1c(F)ccc(Cl)c1C#N ZINC000396153248 344625587 /nfs/dbraw/zinc/62/55/87/344625587.db2.gz SHKQRMJTRSJDGE-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1c(C)cc(OC)cc1C#N ZINC000396155238 344626983 /nfs/dbraw/zinc/62/69/83/344626983.db2.gz QAFIQPOLYVGVPO-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(Cl)c(C#N)c(CC(=O)OC)c1 ZINC000396155482 344627340 /nfs/dbraw/zinc/62/73/40/344627340.db2.gz HBYBVEDMWGQBJI-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN COC(=O)c1cc(F)c(C#N)c(C(F)F)c1 ZINC000396155974 344627519 /nfs/dbraw/zinc/62/75/19/344627519.db2.gz RKNIPKIDMDISMM-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(F)c1CC ZINC000396157087 344628449 /nfs/dbraw/zinc/62/84/49/344628449.db2.gz JVYAERGSAREUSL-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1cc(C)cc(C#N)c1C ZINC000396157130 344628664 /nfs/dbraw/zinc/62/86/64/344628664.db2.gz FKPFBUYUFYJROL-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(C)c1[N+](=O)[O-] ZINC000396158304 344629312 /nfs/dbraw/zinc/62/93/12/344629312.db2.gz KLYACGFGNRIFEC-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1ccc(C#N)c(F)c1C(=O)OC ZINC000396168684 344630531 /nfs/dbraw/zinc/63/05/31/344630531.db2.gz XWMRQJOTSPQOOI-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)c1ccc(C(F)F)c(C#N)c1F ZINC000396168634 344630545 /nfs/dbraw/zinc/63/05/45/344630545.db2.gz XJQQCGZVILBGTA-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1c(F)ccc(C#N)c1C(=O)OC ZINC000396169403 344630935 /nfs/dbraw/zinc/63/09/35/344630935.db2.gz YXIUBAPBHPTUJK-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(C=O)c1Cl ZINC000396158461 344631865 /nfs/dbraw/zinc/63/18/65/344631865.db2.gz KVVNPSCPCSWOHH-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1cc(F)cc(C#N)c1C(=O)OC ZINC000396158528 344631995 /nfs/dbraw/zinc/63/19/95/344631995.db2.gz KZIZVIKITLTPPS-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1c(C#N)ccc(F)c1C(=O)OC ZINC000396160283 344632953 /nfs/dbraw/zinc/63/29/53/344632953.db2.gz MLZZWEOSPVCCJY-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)c1cc(C#N)c(C)c(OC)c1 ZINC000396161935 344634397 /nfs/dbraw/zinc/63/43/97/344634397.db2.gz ZKMACEISANSPGT-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(C#N)c(C)c(C(=O)OC)c1 ZINC000396163410 344635114 /nfs/dbraw/zinc/63/51/14/344635114.db2.gz QGHQYMKKYDEQPA-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN O[C@H](c1nc(Br)cs1)C1CC1 ZINC000127744227 344639491 /nfs/dbraw/zinc/63/94/91/344639491.db2.gz DZTDGXZVICABDU-LURJTMIESA-N 0 0 234.118 2.349 10 0 BEAERN Cc1ccc(C(=O)CN2CCSC2=O)s1 ZINC000050130832 344647184 /nfs/dbraw/zinc/64/71/84/344647184.db2.gz DJGYQWFVJLDGCU-UHFFFAOYSA-N 0 0 241.337 2.408 10 0 BEAERN Cn1ccnc1Sc1ccccc1O ZINC000050607080 344721789 /nfs/dbraw/zinc/72/17/89/344721789.db2.gz CPISEJUOQZILRZ-UHFFFAOYSA-N 0 0 206.270 2.277 10 0 BEAERN Cc1ccc[n+]([O-])c1-c1nc2ccccc2n1C ZINC000116455805 344730319 /nfs/dbraw/zinc/73/03/19/344730319.db2.gz LNZHPIKERCEZSA-UHFFFAOYSA-N 0 0 239.278 2.182 10 0 BEAERN CC(=O)c1cnc(N2CCC[C@@H]2C)s1 ZINC000054861309 344730888 /nfs/dbraw/zinc/73/08/88/344730888.db2.gz VBLSFLDIOOIOTQ-ZETCQYMHSA-N 0 0 210.302 2.334 10 0 BEAERN C[C@@H]1CC[C@H](n2c(CO)c[nH]c2=S)C1 ZINC000128083573 344734610 /nfs/dbraw/zinc/73/46/10/344734610.db2.gz ZNPKKWVECRFMLG-SFYZADRCSA-N 0 0 212.318 2.025 10 0 BEAERN c1nnc(SNC2CCCCC2)s1 ZINC000116850249 344736772 /nfs/dbraw/zinc/73/67/72/344736772.db2.gz RSGPSQBZBZQCBL-UHFFFAOYSA-N 0 0 215.347 2.468 10 0 BEAERN O=C(n1ccnc1)N1CCCc2ccccc21 ZINC000117324516 344744127 /nfs/dbraw/zinc/74/41/27/344744127.db2.gz XALKCCULVCKMQZ-UHFFFAOYSA-N 0 0 227.267 2.304 10 0 BEAERN Clc1noc(COc2ccccc2)n1 ZINC000158588059 344685347 /nfs/dbraw/zinc/68/53/47/344685347.db2.gz CHOJYURSWGKGFC-UHFFFAOYSA-N 0 0 210.620 2.302 10 0 BEAERN Clc1noc([C@H]2Cc3ccccc32)n1 ZINC000158590185 344686426 /nfs/dbraw/zinc/68/64/26/344686426.db2.gz XRQMJDCUNQDYLQ-QMMMGPOBSA-N 0 0 206.632 2.411 10 0 BEAERN Fc1ccccc1Cc1nc(Cl)no1 ZINC000158599439 344687652 /nfs/dbraw/zinc/68/76/52/344687652.db2.gz MLHVWNKTVQORFV-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN CSCc1nc2c(c(=S)[nH]1)CCC2 ZINC000235037598 344748469 /nfs/dbraw/zinc/74/84/69/344748469.db2.gz BMCWWAIKDPCZCI-UHFFFAOYSA-N 0 0 212.343 2.117 10 0 BEAERN Cc1nnsc1C(=O)c1cccc(F)c1 ZINC000158633820 344705165 /nfs/dbraw/zinc/70/51/65/344705165.db2.gz GOKIFCVKJABNSG-UHFFFAOYSA-N 0 0 222.244 2.217 10 0 BEAERN Fc1ccc([C@@H]2NCCS2)cc1F ZINC000050522677 344706264 /nfs/dbraw/zinc/70/62/64/344706264.db2.gz HDGYWGXLFFRQBN-SECBINFHSA-N 0 0 201.241 2.300 10 0 BEAERN O=C1Cc2ccncc2N1c1ccccc1 ZINC000115342405 344707901 /nfs/dbraw/zinc/70/79/01/344707901.db2.gz ASNRIKREIFTVDE-UHFFFAOYSA-N 0 0 210.236 2.302 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1ccc(N)cc1 ZINC000221244544 344708285 /nfs/dbraw/zinc/70/82/85/344708285.db2.gz JLKMLDUTKHRULY-ZDUSSCGKSA-N 0 0 218.300 2.342 10 0 BEAERN CO/C=C/c1cccnc1Br ZINC000115355836 344708456 /nfs/dbraw/zinc/70/84/56/344708456.db2.gz KUNAEAAAKMZQGY-GQCTYLIASA-N 0 0 214.062 2.461 10 0 BEAERN Fc1cc(NCC[C@@H]2CCCO2)ccn1 ZINC000227642768 344710172 /nfs/dbraw/zinc/71/01/72/344710172.db2.gz UKAAFTPKRICKIV-JTQLQIEISA-N 0 0 210.252 2.202 10 0 BEAERN Cc1ccccc1C(=O)c1cnns1 ZINC000158675136 344715221 /nfs/dbraw/zinc/71/52/21/344715221.db2.gz HBOWJCGMMDGJHX-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN Cc1nnsc1C(=O)c1ccccc1C ZINC000158675603 344715428 /nfs/dbraw/zinc/71/54/28/344715428.db2.gz ZVPIKGKXBCAJAV-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN CC(=O)[C@@H](C)n1nc(C)c(Br)c1C ZINC000050593750 344716815 /nfs/dbraw/zinc/71/68/15/344716815.db2.gz HPOHLJLYBVOCLN-ZCFIWIBFSA-N 0 0 245.120 2.412 10 0 BEAERN CS[C@H](C)CNc1snc(N)c1C ZINC000235056061 344754343 /nfs/dbraw/zinc/75/43/43/344754343.db2.gz KKQFIPCHTYUDFG-RXMQYKEDSA-N 0 0 217.363 2.197 10 0 BEAERN C[C@H]1CCC[C@]1(CC(=O)OC(C)(C)C)ON ZINC000675052676 537859777 /nfs/dbraw/zinc/85/97/77/537859777.db2.gz CLAYASCEMNOPJN-JOYOIKCWSA-N 0 0 229.320 2.167 10 0 BEAERN CC[C@@H](C)n1c(C)nc(Cl)cc1=O ZINC000166210428 344791609 /nfs/dbraw/zinc/79/16/09/344791609.db2.gz NKDJHEBHWAOPPZ-ZCFIWIBFSA-N 0 0 200.669 2.176 10 0 BEAERN CC[C@@H]1CC=C([C@](O)(CO)C(F)(F)F)CC1 ZINC000675052710 537860760 /nfs/dbraw/zinc/86/07/60/537860760.db2.gz IEVHEOGPCOGERW-PSASIEDQSA-N 0 0 238.249 2.409 10 0 BEAERN CSc1cc(N[C@H](C)C2CC2)ncn1 ZINC000235146525 344813512 /nfs/dbraw/zinc/81/35/12/344813512.db2.gz KPYDFKJYHVDTMW-SSDOTTSWSA-N 0 0 209.318 2.409 10 0 BEAERN CCOC(=O)c1ccc(OC)c(OC)c1F ZINC000260296814 344818528 /nfs/dbraw/zinc/81/85/28/344818528.db2.gz WMRVBBOKSGAWLX-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN CSc1ccc(NC[C@@H](C)C[C@@H](C)O)nn1 ZINC000077228459 344819145 /nfs/dbraw/zinc/81/91/45/344819145.db2.gz LOKLQLPUUHGBGH-DTWKUNHWSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@@H]1CN(c2ncccc2Cl)C[C@@H](C)O1 ZINC000078256276 344836663 /nfs/dbraw/zinc/83/66/63/344836663.db2.gz VGYJZXJREPABAL-RKDXNWHRSA-N 0 0 226.707 2.349 10 0 BEAERN CCOC(=O)c1nc([C@@H]2C[C@@H]2C)ncc1C ZINC000300852977 537865230 /nfs/dbraw/zinc/86/52/30/537865230.db2.gz BJPQZRPYSYZLHS-IONNQARKSA-N 0 0 220.272 2.085 10 0 BEAERN Cc1nc(CN2CCO[C@H]3CCCC[C@H]32)[nH]c1C ZINC000628146040 344825315 /nfs/dbraw/zinc/82/53/15/344825315.db2.gz CIQJIEHKWDRHMB-OLZOCXBDSA-N 0 0 249.358 2.170 10 0 BEAERN C[C@@H]1CC=C([C@@](O)(CO)C(F)(F)F)CC1 ZINC000675053335 537863589 /nfs/dbraw/zinc/86/35/89/537863589.db2.gz MWPAGBGGEZSMNG-APPZFPTMSA-N 0 0 224.222 2.019 10 0 BEAERN C[C@@H]1C=C([C@@](O)(CO)C(F)(F)F)C[C@@H](C)C1 ZINC000675053198 537863782 /nfs/dbraw/zinc/86/37/82/537863782.db2.gz LTDPCPJNJXHONE-NRPADANISA-N 0 0 238.249 2.265 10 0 BEAERN CCOc1ccc2cc(C=O)cnc2c1 ZINC000039099012 344831498 /nfs/dbraw/zinc/83/14/98/344831498.db2.gz BAUQSXNPDVKKHM-UHFFFAOYSA-N 0 0 201.225 2.446 10 0 BEAERN Cc1nnc(N2C[C@H]3CC=CC[C@@H]3C2)s1 ZINC000078371057 344855588 /nfs/dbraw/zinc/85/55/88/344855588.db2.gz KXSLNVUVOWPGBD-NXEZZACHSA-N 0 0 221.329 2.249 10 0 BEAERN Cc1cccc([C@@H](C)NN)c1Br ZINC000235204815 344845195 /nfs/dbraw/zinc/84/51/95/344845195.db2.gz SJFNBELMLXBEDG-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN C[C@H]1CC(=O)N(Cc2ccc(Cl)nc2)C1 ZINC000062816670 347084477 /nfs/dbraw/zinc/08/44/77/347084477.db2.gz MUYQCJDSAFFWAZ-QMMMGPOBSA-N 0 0 224.691 2.103 10 0 BEAERN C[C@@H]1CCNc2cc(C(F)(F)F)nn21 ZINC000235289556 344872660 /nfs/dbraw/zinc/87/26/60/344872660.db2.gz DYIHHCQJANIMMA-RXMQYKEDSA-N 0 0 205.183 2.279 10 0 BEAERN C[C@@H]1SCCS[C@H]1c1nc(O)c[nH]1 ZINC000235293279 344874863 /nfs/dbraw/zinc/87/48/63/344874863.db2.gz IJVZOKIGSWYJDU-CAHLUQPWSA-N 0 0 216.331 2.025 10 0 BEAERN Cc1[nH]c([C@@H]2SCCS[C@H]2C)nc1O ZINC000235293237 344874957 /nfs/dbraw/zinc/87/49/57/344874957.db2.gz UOCUQSCAUYMFNC-NKWVEPMBSA-N 0 0 230.358 2.333 10 0 BEAERN Cc1ccc(N[C@@H]2CCCC[C@@H]2O)c(N)c1 ZINC000051998614 178772411 /nfs/dbraw/zinc/77/24/11/178772411.db2.gz XDQWLSWOFJTBIC-OLZOCXBDSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1csc(N[C@H]2CCO[C@H](C)C2)n1 ZINC000235361133 344893773 /nfs/dbraw/zinc/89/37/73/344893773.db2.gz QUJQREIDIAIFBS-BDAKNGLRSA-N 0 0 212.318 2.431 10 0 BEAERN C[C@@H]1OCC[C@@H]1Sc1nccnc1Cl ZINC000235363608 344894376 /nfs/dbraw/zinc/89/43/76/344894376.db2.gz HSTSNFWQSCWGEZ-BQBZGAKWSA-N 0 0 230.720 2.400 10 0 BEAERN O[C@@H]1CCCCC[C@@H]1OCC(F)(F)F ZINC000044192407 344899073 /nfs/dbraw/zinc/89/90/73/344899073.db2.gz LBHMYOCBSDQNSW-SFYZADRCSA-N 0 0 212.211 2.259 10 0 BEAERN C[C@@]1(Nc2cc(Cl)ncn2)CCCOC1 ZINC000235385133 344899486 /nfs/dbraw/zinc/89/94/86/344899486.db2.gz GZLUSFGMMCADTB-SNVBAGLBSA-N 0 0 227.695 2.111 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)c1cnc2cc[nH]cc1-2 ZINC000166470762 344903271 /nfs/dbraw/zinc/90/32/71/344903271.db2.gz MSBYGZAXGMJOIS-HTQZYQBOSA-N 0 0 200.241 2.402 10 0 BEAERN C[C@@H]1CC(=O)N(Cc2ccnc(Cl)c2)C1 ZINC000062816687 347085296 /nfs/dbraw/zinc/08/52/96/347085296.db2.gz WOJPFNAXJLUHIF-MRVPVSSYSA-N 0 0 224.691 2.103 10 0 BEAERN CCc1ccc(-c2nc(CO)c[nH]2)s1 ZINC000062820626 347085676 /nfs/dbraw/zinc/08/56/76/347085676.db2.gz NPUOUMXBAPAHCH-UHFFFAOYSA-N 0 0 208.286 2.193 10 0 BEAERN CCC1(c2ccc(C)cc2)CC(=O)NC(=O)C1 ZINC000062950791 168506567 /nfs/dbraw/zinc/50/65/67/168506567.db2.gz YQMOBRHNHDJTLJ-UHFFFAOYSA-N 0 0 231.295 2.079 10 0 BEAERN C[C@H]1OCC[C@@H]1SCC1(O)CCCC1 ZINC000235622262 344958746 /nfs/dbraw/zinc/95/87/46/344958746.db2.gz VNGBCKSOBYFFKI-ZJUUUORDSA-N 0 0 216.346 2.202 10 0 BEAERN COC(=O)c1n[nH]c(C(C)(C)C)c1Cl ZINC000061441885 344938847 /nfs/dbraw/zinc/93/88/47/344938847.db2.gz JJYONHOJYFNMMC-UHFFFAOYSA-N 0 0 216.668 2.147 10 0 BEAERN C[C@H](c1ccccc1)C1N=NC(=S)N1 ZINC000235557724 344940713 /nfs/dbraw/zinc/94/07/13/344940713.db2.gz FBHZCINMUZDRNP-SSDOTTSWSA-N 0 0 205.286 2.245 10 0 BEAERN CNC(=S)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000135955623 344947320 /nfs/dbraw/zinc/94/73/20/344947320.db2.gz APNSIFNKLFXEAO-RKDXNWHRSA-N 0 0 200.351 2.001 10 0 BEAERN Clc1ccncc1NC[C@@H]1CCOC1 ZINC000166626798 344947359 /nfs/dbraw/zinc/94/73/59/344947359.db2.gz LMKRBLICYLMGAD-QMMMGPOBSA-N 0 0 212.680 2.183 10 0 BEAERN O=C1CCCc2cc(Br)ncc21 ZINC000237994665 344948437 /nfs/dbraw/zinc/94/84/37/344948437.db2.gz JWBKHOGFIVZNDB-UHFFFAOYSA-N 0 0 226.073 2.363 10 0 BEAERN CC(=O)c1sc(N[C@@H]2C[C@@H]2C)cc1N ZINC000235593337 344950527 /nfs/dbraw/zinc/95/05/27/344950527.db2.gz KGDVKLWWTJQSFL-YLWLKBPMSA-N 0 0 210.302 2.353 10 0 BEAERN Cc1c(N)cnn1Cc1ccccc1Cl ZINC000070824329 537883749 /nfs/dbraw/zinc/88/37/49/537883749.db2.gz FVLJYKPUJGULFT-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN O=C(CN1CCCC1)c1c[nH]c2ccccc12 ZINC000004785560 344986176 /nfs/dbraw/zinc/98/61/76/344986176.db2.gz XIWLOVMUYRJWDB-UHFFFAOYSA-N 0 0 228.295 2.446 10 0 BEAERN Nc1ccc2c(c1)CN(c1ccc(CO)cc1)C2 ZINC000011731100 344987254 /nfs/dbraw/zinc/98/72/54/344987254.db2.gz RIRUAHGTJAPIQW-UHFFFAOYSA-N 0 0 240.306 2.281 10 0 BEAERN C[C@H]1OCC[C@H]1Sc1ccnc(F)c1 ZINC000235671702 345008850 /nfs/dbraw/zinc/00/88/50/345008850.db2.gz JEGZBLXLCQJMGJ-VXNVDRBHSA-N 0 0 213.277 2.490 10 0 BEAERN C[C@H]1SCC[C@]1(O)CC1CCOCC1 ZINC000235674746 345016489 /nfs/dbraw/zinc/01/64/89/345016489.db2.gz SLOLMNDTQMITFG-KOLCDFICSA-N 0 0 216.346 2.060 10 0 BEAERN CN(C)C(=O)c1cc(Cl)cc(F)c1F ZINC000238314365 345021198 /nfs/dbraw/zinc/02/11/98/345021198.db2.gz WZMGEVXHIWQAQH-UHFFFAOYSA-N 0 0 219.618 2.320 10 0 BEAERN COC(=O)c1cc(Cl)c(C(F)F)cn1 ZINC000238357466 345029414 /nfs/dbraw/zinc/02/94/14/345029414.db2.gz RBPFVOCOCVHQNU-UHFFFAOYSA-N 0 0 221.590 2.459 10 0 BEAERN COc1c(C)ccnc1OC(F)(F)F ZINC000238367258 345030695 /nfs/dbraw/zinc/03/06/95/345030695.db2.gz FPZBIQKDOYYBLN-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COc1cc(OC(F)(F)F)c(F)cn1 ZINC000238401165 345041199 /nfs/dbraw/zinc/04/11/99/345041199.db2.gz IFOJCORADQWTNB-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1cnc(C)cc1I ZINC000238402327 345041989 /nfs/dbraw/zinc/04/19/89/345041989.db2.gz AEASBCBZXBCFEE-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN C=Cc1nc(Cl)nc(Cl)c1OC ZINC000146049908 345042039 /nfs/dbraw/zinc/04/20/39/345042039.db2.gz UBOUJNVKCFPWEB-UHFFFAOYSA-N 0 0 205.044 2.435 10 0 BEAERN COc1c(F)cncc1OC(F)(F)F ZINC000238412311 345043463 /nfs/dbraw/zinc/04/34/63/345043463.db2.gz TUVGDAVQSSDAMR-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN O=Cc1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238530614 345069168 /nfs/dbraw/zinc/06/91/68/345069168.db2.gz WTFZAKJDHGRDLW-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Clc1cnc2cc(Br)[nH]c2n1 ZINC000238558875 345078477 /nfs/dbraw/zinc/07/84/77/345078477.db2.gz YKNOCWMCLYUZEM-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN [NH3+]Cc1cnc(Cl)cc1OC(F)(F)F ZINC000238566755 345079508 /nfs/dbraw/zinc/07/95/08/345079508.db2.gz LXUIYPFYJSKCSK-UHFFFAOYSA-N 0 0 226.585 2.092 10 0 BEAERN Cc1ccc(Oc2cccc(N)c2)nn1 ZINC000048669580 178820702 /nfs/dbraw/zinc/82/07/02/178820702.db2.gz YREAHNFBXHNAMR-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1ccc(Oc2ccc(N)c(C)c2)nn1 ZINC000041045184 178820948 /nfs/dbraw/zinc/82/09/48/178820948.db2.gz LOPQEOSHENFKRR-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN O=Cc1cncc(Cl)c1OC(F)(F)F ZINC000238521304 345067712 /nfs/dbraw/zinc/06/77/12/345067712.db2.gz RODLVSUZARKUOX-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN OCc1c(Cl)nccc1OC(F)(F)F ZINC000238707088 345116708 /nfs/dbraw/zinc/11/67/08/345116708.db2.gz ZFYWJCADVFYKLY-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN O=c1[nH]cc(Cl)cc1OC(F)(F)F ZINC000238707339 345116857 /nfs/dbraw/zinc/11/68/57/345116857.db2.gz UQRWTADDLXDEQR-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN Oc1cc2[nH]cnc2c(Br)c1 ZINC000238716848 345119466 /nfs/dbraw/zinc/11/94/66/345119466.db2.gz RGIHRSOKEROLSJ-UHFFFAOYSA-N 0 0 213.034 2.031 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)[C@H](C)COC ZINC000155763018 345103530 /nfs/dbraw/zinc/10/35/30/345103530.db2.gz JDWBIPXJNOLUDN-NEPJUHHUSA-N 0 0 227.348 2.450 10 0 BEAERN O=c1cc(Cl)cc(OC(F)(F)F)[nH]1 ZINC000238691744 345110581 /nfs/dbraw/zinc/11/05/81/345110581.db2.gz GNMUSIGTIPKQJC-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN O=c1cc(Cl)[nH]cc1OC(F)(F)F ZINC000238694366 345111395 /nfs/dbraw/zinc/11/13/95/345111395.db2.gz XBMCHQFCXMJLJZ-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN COC(=O)c1cc(Cl)c(OC)cc1C ZINC000145379084 345136251 /nfs/dbraw/zinc/13/62/51/345136251.db2.gz YPPCIMDEHVUNPU-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CCc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2 ZINC000720942601 537891904 /nfs/dbraw/zinc/89/19/04/537891904.db2.gz WQKWWPJXPCXBAU-HTRCEHHLSA-N 0 0 215.247 2.456 10 0 BEAERN Brc1ncccc1-c1ncc[nH]1 ZINC000146166640 345253600 /nfs/dbraw/zinc/25/36/00/345253600.db2.gz HPIKZMZVXCXLDD-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN CCc1nc2sc3c(n2c1C=O)CCC3 ZINC000127813111 345223322 /nfs/dbraw/zinc/22/33/22/345223322.db2.gz CEPIRRVBPOJHTL-UHFFFAOYSA-N 0 0 220.297 2.259 10 0 BEAERN Cc1cc(CNc2ccnc(F)c2)on1 ZINC000227642926 345261250 /nfs/dbraw/zinc/26/12/50/345261250.db2.gz RLKTZKVPPSIOCX-UHFFFAOYSA-N 0 0 207.208 2.129 10 0 BEAERN Cc1nn(C)c2nccc(Br)c12 ZINC000157497022 345264000 /nfs/dbraw/zinc/26/40/00/345264000.db2.gz UUSLOGRPRLBGLK-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN CCOC(=O)c1ccc2ccnc(NC)c2c1 ZINC000167272779 345290873 /nfs/dbraw/zinc/29/08/73/345290873.db2.gz YKFOBSKZGNOLGA-UHFFFAOYSA-N 0 0 230.267 2.453 10 0 BEAERN CON[C@@H]1c2cc(Cl)ccc2O[C@H]1C ZINC000131250274 345295354 /nfs/dbraw/zinc/29/53/54/345295354.db2.gz OBPZUOMKDQQIDW-WKEGUHRASA-N 0 0 213.664 2.313 10 0 BEAERN OCC[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000132258223 345324034 /nfs/dbraw/zinc/32/40/34/345324034.db2.gz IQJVLLLWNLNZOB-QMMMGPOBSA-N 0 0 231.748 2.361 10 0 BEAERN O=C(NC1CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000158258292 345312712 /nfs/dbraw/zinc/31/27/12/345312712.db2.gz JALKDWGNJSSSCF-RYUDHWBXSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1ccc([C@H](c2nn[nH]n2)C(C)C)cc1 ZINC000408494426 345377807 /nfs/dbraw/zinc/37/78/07/345377807.db2.gz NVKQRYHIJSAWLI-LLVKDONJSA-N 0 0 216.288 2.296 10 0 BEAERN COc1cc([N+](=O)[O-])c(C(F)(F)F)cc1N ZINC000390267967 345326882 /nfs/dbraw/zinc/32/68/82/345326882.db2.gz QRGBDAPSYHDXIQ-UHFFFAOYSA-N 0 0 236.149 2.204 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc(Cl)ncc1Cl ZINC000134582995 345415871 /nfs/dbraw/zinc/41/58/71/345415871.db2.gz NIGTVEZLCBPMLX-VDTYLAMSSA-N 0 0 248.113 2.373 10 0 BEAERN COc1c(Cl)ncnc1OC(C)(C)C ZINC000134724488 345420774 /nfs/dbraw/zinc/42/07/74/345420774.db2.gz GJIIEVQHFXCXBL-UHFFFAOYSA-N 0 0 216.668 2.316 10 0 BEAERN NN[C@H](c1occc1Br)C1CCC1 ZINC000228997111 345426468 /nfs/dbraw/zinc/42/64/68/345426468.db2.gz LTRXDYQUXSTMAF-QMMMGPOBSA-N 0 0 245.120 2.347 10 0 BEAERN Cc1ccc([C@@H]2CN(Cc3ccon3)CCO2)o1 ZINC000158936205 345391955 /nfs/dbraw/zinc/39/19/55/345391955.db2.gz ZDOKSLKZORZXLH-ZDUSSCGKSA-N 0 0 248.282 2.150 10 0 BEAERN CC(C)(C)CCC(=O)NC[C@H]1CCC[C@H]1O ZINC000080994189 345458382 /nfs/dbraw/zinc/45/83/82/345458382.db2.gz AMXIJOAHCWEWID-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN CC1CC(C(=O)NCc2cccc(O)c2)C1 ZINC000084764348 345524816 /nfs/dbraw/zinc/52/48/16/345524816.db2.gz NEQPLBONLFCMKD-UHFFFAOYSA-N 0 0 219.284 2.055 10 0 BEAERN Cc1ccc(N[C@H]2CC[C@H](O)CC2)nc1 ZINC000252690082 345579743 /nfs/dbraw/zinc/57/97/43/345579743.db2.gz TXAJRSUNYMCUOD-XYPYZODXSA-N 0 0 206.289 2.105 10 0 BEAERN C[C@@H](Nc1nnc(C2CC2)s1)[C@H]1CCCO1 ZINC000091426650 345592039 /nfs/dbraw/zinc/59/20/39/345592039.db2.gz JGQPTQZMCHMFEU-VXNVDRBHSA-N 0 0 239.344 2.395 10 0 BEAERN CCCc1nnc(NCc2ncoc2C)s1 ZINC000092692311 345636136 /nfs/dbraw/zinc/63/61/36/345636136.db2.gz GDDXQEICBWJGFM-UHFFFAOYSA-N 0 0 238.316 2.399 10 0 BEAERN COc1ccnc(N(C)OCc2ccccc2)n1 ZINC000092826236 345644530 /nfs/dbraw/zinc/64/45/30/345644530.db2.gz BHVWAXPPGWHSIU-UHFFFAOYSA-N 0 0 245.282 2.053 10 0 BEAERN Cc1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)nc1N ZINC000403792460 537903252 /nfs/dbraw/zinc/90/32/52/537903252.db2.gz BMDBALBXUUQPHJ-OUAUKWLOSA-N 0 0 205.305 2.040 10 0 BEAERN CC(=O)Nc1cc(Cl)ccc1OC(C)=O ZINC000032188356 345741693 /nfs/dbraw/zinc/74/16/93/345741693.db2.gz DULSSOFSGOSBSS-UHFFFAOYSA-N 0 0 227.647 2.224 10 0 BEAERN CN(C)C(=O)c1cc2ccc(F)cc2[nH]1 ZINC000082273106 345752169 /nfs/dbraw/zinc/75/21/69/345752169.db2.gz NTNORCZKKAIGIV-UHFFFAOYSA-N 0 0 206.220 2.009 10 0 BEAERN OCc1ccc(CCc2ccccn2)cc1 ZINC000113992726 345756116 /nfs/dbraw/zinc/75/61/16/345756116.db2.gz UBAKCWWHKCLWGH-UHFFFAOYSA-N 0 0 213.280 2.359 10 0 BEAERN Cc1nc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000032067124 345712541 /nfs/dbraw/zinc/71/25/41/345712541.db2.gz QVBCXXWMNSIAGY-UHFFFAOYSA-N 0 0 228.173 2.250 10 0 BEAERN O=C1C[C@H]2CCC[C@]23OC[C@@H](c2ccccc2)N13 ZINC000136155269 345806762 /nfs/dbraw/zinc/80/67/62/345806762.db2.gz LICRFLLENOMKPY-IPYPFGDCSA-N 0 0 243.306 2.487 10 0 BEAERN COP(=O)(CC(=O)CC(C)C)OC ZINC000136299913 345810838 /nfs/dbraw/zinc/81/08/38/345810838.db2.gz GOVSYWHVUIKIJH-UHFFFAOYSA-N 0 0 208.194 2.088 10 0 BEAERN CCN1c2cc(OC)ccc2CCCC1=O ZINC000033975605 345813876 /nfs/dbraw/zinc/81/38/76/345813876.db2.gz WJIDMFABUDVTFC-UHFFFAOYSA-N 0 0 219.284 2.384 10 0 BEAERN C#CCC[C@H](C(=O)OCC)c1cccnc1 ZINC000034077046 345816126 /nfs/dbraw/zinc/81/61/26/345816126.db2.gz ZFHNBMVSAMARHS-LBPRGKRZSA-N 0 0 217.268 2.142 10 0 BEAERN C=CCO[C@@H](C(=O)OC)c1ccccc1 ZINC000033835635 345816188 /nfs/dbraw/zinc/81/61/88/345816188.db2.gz WJURZVWJABCBMX-LLVKDONJSA-N 0 0 206.241 2.103 10 0 BEAERN Cc1cc(O)c(-c2ccccc2)c(=O)o1 ZINC000033825007 345816498 /nfs/dbraw/zinc/81/64/98/345816498.db2.gz LSFOIAPJPYDIBY-UHFFFAOYSA-N 0 0 202.209 2.321 10 0 BEAERN CCOC(=O)[C@H]1COc2cc(C)c(C)cc2O1 ZINC000034133736 345817761 /nfs/dbraw/zinc/81/77/61/345817761.db2.gz QUQVCZDDYJSMHK-GFCCVEGCSA-N 0 0 236.267 2.006 10 0 BEAERN COc1cccc2c1CC(=O)C(C)(C)C2 ZINC000034127834 345817994 /nfs/dbraw/zinc/81/79/94/345817994.db2.gz RAYCOYAJTUVTRA-UHFFFAOYSA-N 0 0 204.269 2.389 10 0 BEAERN COC(=O)[C@@](C)(N)Cc1cccc2ccccc21 ZINC000034147242 345818244 /nfs/dbraw/zinc/81/82/44/345818244.db2.gz DSVUEEGFTQCBSR-HNNXBMFYSA-N 0 0 243.306 2.273 10 0 BEAERN Cn1cc(CCCCO)c2ccccc21 ZINC000034180629 345818789 /nfs/dbraw/zinc/81/87/89/345818789.db2.gz SJIFETMLYRNPFE-UHFFFAOYSA-N 0 0 203.285 2.493 10 0 BEAERN CCSC(=O)OCOC(=O)C(C)(C)C ZINC000034369444 345823802 /nfs/dbraw/zinc/82/38/02/345823802.db2.gz FAFMFYZDXCDNBZ-UHFFFAOYSA-N 0 0 220.290 2.423 10 0 BEAERN CCOC(=O)C[C@H]1CCC[C@@H](CCC#N)C1=O ZINC000034182306 345819032 /nfs/dbraw/zinc/81/90/32/345819032.db2.gz NTBNGFKXIYKZGR-WDEREUQCSA-N 0 0 237.299 2.229 10 0 BEAERN NN=c1[nH]c2ccccc2n1-c1ccccc1 ZINC000034202313 345819588 /nfs/dbraw/zinc/81/95/88/345819588.db2.gz FLUQLKVVCVRATQ-UHFFFAOYSA-N 0 0 224.267 2.311 10 0 BEAERN O=C1c2cc(F)ccc2OCc2ncccc21 ZINC000034217860 345819753 /nfs/dbraw/zinc/81/97/53/345819753.db2.gz HSEUUCHMACENAQ-UHFFFAOYSA-N 0 0 229.210 2.344 10 0 BEAERN COC(=O)[C@@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000050974901 345767942 /nfs/dbraw/zinc/76/79/42/345767942.db2.gz YCYCFFASFQXDDV-BXKDBHETSA-N 0 0 214.305 2.127 10 0 BEAERN C[C@H]1C[C@H]1C(=O)N1CCC(=O)Nc2ccccc21 ZINC000118618669 345770805 /nfs/dbraw/zinc/77/08/05/345770805.db2.gz DFDGQADQNRHGNB-VHSXEESVSA-N 0 0 244.294 2.018 10 0 BEAERN COC(=O)C[C@H]1c2cc(OC)ccc2N[C@@H]1C ZINC000163520114 345772029 /nfs/dbraw/zinc/77/20/29/345772029.db2.gz ALAVRIFVODNBPL-PSASIEDQSA-N 0 0 235.283 2.156 10 0 BEAERN CCOC(=O)c1cccc(C)c1C(=O)OCC ZINC000034288752 345821021 /nfs/dbraw/zinc/82/10/21/345821021.db2.gz CSJDDDONKCSXPX-UHFFFAOYSA-N 0 0 236.267 2.348 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1COCc1ccccc1 ZINC000164044593 345782868 /nfs/dbraw/zinc/78/28/68/345782868.db2.gz YWELBYHGIZQLHW-NEPJUHHUSA-N 0 0 220.268 2.012 10 0 BEAERN COCC1CCN(c2ccccc2N)CC1 ZINC000069631444 345786979 /nfs/dbraw/zinc/78/69/79/345786979.db2.gz CGEYJGCFINTBTQ-UHFFFAOYSA-N 0 0 220.316 2.132 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1ccccc1Cl ZINC000306288674 537912268 /nfs/dbraw/zinc/91/22/68/537912268.db2.gz MXVADVMMRZMHSW-JTQLQIEISA-N 0 0 208.648 2.145 10 0 BEAERN CC(C)n1cc(-n2cc[nH]c2=S)cn1 ZINC000061683771 345822522 /nfs/dbraw/zinc/82/25/22/345822522.db2.gz YOCWNILSFXLAOX-UHFFFAOYSA-N 0 0 208.290 2.312 10 0 BEAERN CCOC(=O)c1c(N)ccc(F)c1Cl ZINC000139740051 345801938 /nfs/dbraw/zinc/80/19/38/345801938.db2.gz MHNGVZOKFBPLCS-UHFFFAOYSA-N 0 0 217.627 2.238 10 0 BEAERN CC(=O)c1ccc2n1C(=O)c1cccc(N)c1-2 ZINC000137350400 345842501 /nfs/dbraw/zinc/84/25/01/345842501.db2.gz BNCUQHGZTBKAHB-UHFFFAOYSA-N 0 0 226.235 2.268 10 0 BEAERN Cc1cc(C)c(C(=O)C(C)(C)O)c(F)c1 ZINC000235743126 345842636 /nfs/dbraw/zinc/84/26/36/345842636.db2.gz JSHLIZZFRHWMJX-UHFFFAOYSA-N 0 0 210.248 2.396 10 0 BEAERN Cc1ccc([C@](C)([NH2+]C(C)C)C(=O)[O-])cc1 ZINC000037183019 178925324 /nfs/dbraw/zinc/92/53/24/178925324.db2.gz IASOKBUCCLDZHK-ZDUSSCGKSA-N 0 0 221.300 2.293 10 0 BEAERN CCCOC(=S)NCc1ccccc1 ZINC000035259327 345847107 /nfs/dbraw/zinc/84/71/07/345847107.db2.gz KTOIPILWYSRXQY-UHFFFAOYSA-N 0 0 209.314 2.488 10 0 BEAERN Cc1cc(CO)ccc1OCC(F)F ZINC000142834454 345863966 /nfs/dbraw/zinc/86/39/66/345863966.db2.gz RWCFYQCWNPJWBL-UHFFFAOYSA-N 0 0 202.200 2.131 10 0 BEAERN Cc1cc(N)ccc1Sc1ncc[nH]1 ZINC000235768622 345851868 /nfs/dbraw/zinc/85/18/68/345851868.db2.gz QNZWIRSFGMJSAN-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN CC(=O)C1=C(O)CC[C@@H](c2ccccn2)C1 ZINC000140856928 345858391 /nfs/dbraw/zinc/85/83/91/345858391.db2.gz YTIBMSSCVFJZRV-MNOVXSKESA-N 0 0 217.268 2.123 10 0 BEAERN Cc1nc(N2CCCSCC2)sc1C=O ZINC000054966963 345858671 /nfs/dbraw/zinc/85/86/71/345858671.db2.gz MARUNDVGMOYNLT-UHFFFAOYSA-N 0 0 242.369 2.207 10 0 BEAERN COc1ccc2c(F)c[nH]c(=O)c2c1Cl ZINC000219273134 345858697 /nfs/dbraw/zinc/85/86/97/345858697.db2.gz QJHDOMGILKFFKJ-UHFFFAOYSA-N 0 0 227.622 2.329 10 0 BEAERN COc1ccc(COCC(C)(C)CO)cc1 ZINC000141905345 345858752 /nfs/dbraw/zinc/85/87/52/345858752.db2.gz KLWRXYDZHYLARJ-UHFFFAOYSA-N 0 0 224.300 2.230 10 0 BEAERN CSc1ncc(-c2ccc(F)cc2)nn1 ZINC000220042359 345860742 /nfs/dbraw/zinc/86/07/42/345860742.db2.gz WYNQASCRKMRPAA-UHFFFAOYSA-N 0 0 221.260 2.400 10 0 BEAERN COc1ccc2c(c1)[C@H]1CCC(=O)N[C@@H]1CC2 ZINC000142230157 345862386 /nfs/dbraw/zinc/86/23/86/345862386.db2.gz DHOAQPNQQCURSR-DGCLKSJQSA-N 0 0 231.295 2.004 10 0 BEAERN COc1cccc2c1CC[C@H](CC#N)C2=O ZINC000034409011 345827087 /nfs/dbraw/zinc/82/70/87/345827087.db2.gz WRCUQAVHOHUIMG-SECBINFHSA-N 0 0 215.252 2.354 10 0 BEAERN COC(=O)/C=C/c1cc(C(F)(F)F)ccc1N ZINC000034559324 345831517 /nfs/dbraw/zinc/83/15/17/345831517.db2.gz OMOKRNMQTIYRDH-GORDUTHDSA-N 0 0 245.200 2.474 10 0 BEAERN COCOCc1nc(-c2ccccc2)oc1C=O ZINC000034567759 345832293 /nfs/dbraw/zinc/83/22/93/345832293.db2.gz WJYXCDKFFIFKJE-UHFFFAOYSA-N 0 0 247.250 2.275 10 0 BEAERN Fc1cccc2c1CC[NH2+][C@H]2CN1CCCC1 ZINC000034426626 345832827 /nfs/dbraw/zinc/83/28/27/345832827.db2.gz MGZOKHUYHHZDPH-AWEZNQCLSA-N 0 0 234.318 2.108 10 0 BEAERN COC(=O)/C=C/O[C@H](C)c1ccccc1 ZINC000034428114 345833060 /nfs/dbraw/zinc/83/30/60/345833060.db2.gz TTWBRETZECGSOT-AAXQSMANSA-N 0 0 206.241 2.451 10 0 BEAERN CN1CCCC[C@@](C)(c2cccc(O)c2)C1=O ZINC000034614042 345837600 /nfs/dbraw/zinc/83/76/00/345837600.db2.gz BYRBRUAOVYXFRO-AWEZNQCLSA-N 0 0 233.311 2.292 10 0 BEAERN CC(=O)c1ccc(-n2cncn2)c(Cl)c1 ZINC000061694448 345839432 /nfs/dbraw/zinc/83/94/32/345839432.db2.gz KKIUQRYJCCUZMO-UHFFFAOYSA-N 0 0 221.647 2.123 10 0 BEAERN Nc1cn(Cc2ccccc2Cl)cn1 ZINC000074178339 537915612 /nfs/dbraw/zinc/91/56/12/537915612.db2.gz SOJWHLYFEGCMTR-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN O=c1nc(-c2ccccc2F)oc2ncccc12 ZINC000143234536 345865435 /nfs/dbraw/zinc/86/54/35/345865435.db2.gz PJHLHFBGBVVZIK-UHFFFAOYSA-N 0 0 242.209 2.389 10 0 BEAERN O=C1O[C@@H](CO)CN1c1ccc2ccccc2c1 ZINC000143286008 345865648 /nfs/dbraw/zinc/86/56/48/345865648.db2.gz TZHLLMLDKDFTKE-CYBMUJFWSA-N 0 0 243.262 2.157 10 0 BEAERN COc1nc(C)cc(C)c1Br ZINC000143448629 345866415 /nfs/dbraw/zinc/86/64/15/345866415.db2.gz KWGMYFISCBHTLS-UHFFFAOYSA-N 0 0 216.078 2.470 10 0 BEAERN Cc1ccsc1C(=O)CC1OCCO1 ZINC000235786206 345870492 /nfs/dbraw/zinc/87/04/92/345870492.db2.gz NLPQVIMKMNWYIH-UHFFFAOYSA-N 0 0 212.270 2.002 10 0 BEAERN C=C(OCC)c1cnc(Br)cn1 ZINC000200319823 345899671 /nfs/dbraw/zinc/89/96/71/345899671.db2.gz DZKBZQCQQHMQSX-UHFFFAOYSA-N 0 0 229.077 2.246 10 0 BEAERN Cc1c[nH]nc1NC(=O)NCc1ccccc1 ZINC000235793795 345904932 /nfs/dbraw/zinc/90/49/32/345904932.db2.gz QKRGCDMEFKINHA-UHFFFAOYSA-N 0 0 230.271 2.040 10 0 BEAERN C=CC(=O)Nc1ccc(Br)nc1C ZINC000235792410 345904971 /nfs/dbraw/zinc/90/49/71/345904971.db2.gz CVWYFVCKNXJWQW-UHFFFAOYSA-N 0 0 241.088 2.277 10 0 BEAERN Cc1cccc(C)c1CC(=O)C(C)(C)O ZINC000235809400 345915581 /nfs/dbraw/zinc/91/55/81/345915581.db2.gz QHZBATGYBHFXSM-UHFFFAOYSA-N 0 0 206.285 2.186 10 0 BEAERN CCCn1cc([C@]2(C)CCC(=O)C2)cn1 ZINC000166869937 345916345 /nfs/dbraw/zinc/91/63/45/345916345.db2.gz YEVHWCDQARFTAK-GFCCVEGCSA-N 0 0 206.289 2.304 10 0 BEAERN O=C(CC1CCCCCC1)N1CC=CCN1 ZINC000628222823 345962756 /nfs/dbraw/zinc/96/27/56/345962756.db2.gz HACJNUJTEBLSKJ-UHFFFAOYSA-N 0 0 222.332 2.250 10 0 BEAERN Cc1nc(Cl)nc(OC(C)(C)C)c1N ZINC000235821034 345937314 /nfs/dbraw/zinc/93/73/14/345937314.db2.gz YECAZXSLCYMFJF-UHFFFAOYSA-N 0 0 215.684 2.198 10 0 BEAERN C[C@@H]1COc2ccc(Br)nc2N1C ZINC000145671023 345941226 /nfs/dbraw/zinc/94/12/26/345941226.db2.gz CILCFYSAKKNWRR-ZCFIWIBFSA-N 0 0 243.104 2.061 10 0 BEAERN Nc1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000088417485 345944199 /nfs/dbraw/zinc/94/41/99/345944199.db2.gz JXDQWNWBQDWHAH-MRVPVSSYSA-N 0 0 245.248 2.443 10 0 BEAERN Cc1c(N)cnn1CCCC(C)(F)F ZINC000718706260 537925291 /nfs/dbraw/zinc/92/52/91/537925291.db2.gz YWFLXNTVBZYJQY-UHFFFAOYSA-N 0 0 203.236 2.209 10 0 BEAERN CC[C@H](C)Oc1ncc(Cl)cc1N ZINC000148328866 345968607 /nfs/dbraw/zinc/96/86/07/345968607.db2.gz FVOFZJQGVIXEHV-LURJTMIESA-N 0 0 200.669 2.495 10 0 BEAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)[C@@H](C)C2 ZINC000181333635 178954950 /nfs/dbraw/zinc/95/49/50/178954950.db2.gz LMONNGPYPYXIFK-GXFFZTMASA-N 0 0 232.327 2.500 10 0 BEAERN CCOC(=O)C1=C(O)C(C)(C)CCCC1 ZINC000719189622 537928813 /nfs/dbraw/zinc/92/88/13/537928813.db2.gz NRCHPTGGEQJFEK-VIFPVBQESA-N 0 0 212.289 2.335 10 0 BEAERN CC1(C)C[C@H]1Cn1cc(Br)c(N)n1 ZINC000722673314 537929410 /nfs/dbraw/zinc/92/94/10/537929410.db2.gz PEEHIENEWZBKJV-LURJTMIESA-N 0 0 244.136 2.274 10 0 BEAERN CC[C@@H](O)c1cccc(Br)n1 ZINC000147494902 346026341 /nfs/dbraw/zinc/02/63/41/346026341.db2.gz URUWUNGOKOVELO-SSDOTTSWSA-N 0 0 216.078 2.288 10 0 BEAERN C[C@H]1CCN(c2ncc(Cl)cc2N)C1 ZINC000148064145 346032220 /nfs/dbraw/zinc/03/22/20/346032220.db2.gz QSPFFLROGOMHPU-ZETCQYMHSA-N 0 0 211.696 2.163 10 0 BEAERN CCCCNc1cncnc1Br ZINC000148366266 346062338 /nfs/dbraw/zinc/06/23/38/346062338.db2.gz FCFHLUJCINDUBQ-UHFFFAOYSA-N 0 0 230.109 2.451 10 0 BEAERN Nc1cc2sc(Cl)nc2c(O)c1 ZINC000096320678 346112052 /nfs/dbraw/zinc/11/20/52/346112052.db2.gz NMXZAMOPRFFFIV-UHFFFAOYSA-N 0 0 200.650 2.238 10 0 BEAERN Cc1nn(CCc2cccs2)c(C)c1N ZINC000077332642 537943800 /nfs/dbraw/zinc/94/38/00/537943800.db2.gz QFDAHLOKMKJFMB-UHFFFAOYSA-N 0 0 221.329 2.386 10 0 BEAERN CCCN1CCNc2cc(Cl)cnc21 ZINC000149598324 346130194 /nfs/dbraw/zinc/13/01/94/346130194.db2.gz FWZFTAKGPTVPTD-UHFFFAOYSA-N 0 0 211.696 2.377 10 0 BEAERN C[C@H](Nc1cc(F)ncn1)c1ccco1 ZINC000149986533 346165924 /nfs/dbraw/zinc/16/59/24/346165924.db2.gz OTEBRVDANGGCHJ-ZETCQYMHSA-N 0 0 207.208 2.382 10 0 BEAERN CNS(=O)(=O)[C@@H](C)c1cc(C)c(C)cc1C ZINC000669375197 537953420 /nfs/dbraw/zinc/95/34/20/537953420.db2.gz FYEKJLSJJAYYRK-NSHDSACASA-N 0 0 241.356 2.222 10 0 BEAERN Cc1nsc(N[C@H]2CCC[C@@H](O)C2)c1C#N ZINC000381501709 346167745 /nfs/dbraw/zinc/16/77/45/346167745.db2.gz PMBKHWFHBVQART-DTWKUNHWSA-N 0 0 237.328 2.039 10 0 BEAERN Cc1nc(-c2ccoc2Br)n[nH]1 ZINC000235932263 346171897 /nfs/dbraw/zinc/17/18/97/346171897.db2.gz LUFQESRGLJWUNF-UHFFFAOYSA-N 0 0 228.049 2.136 10 0 BEAERN Cc1ncc([C@@H](NN)c2cccs2)s1 ZINC000235951884 346175167 /nfs/dbraw/zinc/17/51/67/346175167.db2.gz SHEIBPFSKFUYKM-VIFPVBQESA-N 0 0 225.342 2.066 10 0 BEAERN O=C(CCC1CCCCC1)N1CC=CCN1 ZINC000628227479 346175543 /nfs/dbraw/zinc/17/55/43/346175543.db2.gz HTJQTNGNLBUUKK-UHFFFAOYSA-N 0 0 222.332 2.250 10 0 BEAERN COC(=O)C1(C[C@@H]2CO2)CCCCCC1 ZINC000669372729 537950560 /nfs/dbraw/zinc/95/05/60/537950560.db2.gz XMFVAUVFGNUVHL-SNVBAGLBSA-N 0 0 212.289 2.289 10 0 BEAERN NC(=O)c1ccccc1C(F)(F)C(F)(F)F ZINC000115009826 346155372 /nfs/dbraw/zinc/15/53/72/346155372.db2.gz FOEINJWHJQOQFW-UHFFFAOYSA-N 0 0 239.143 2.440 10 0 BEAERN CNS(=O)(=O)C1CCC2(CCCC2)CC1 ZINC000669375058 537953352 /nfs/dbraw/zinc/95/33/52/537953352.db2.gz DBTIMIGWZYPIMH-UHFFFAOYSA-N 0 0 231.361 2.039 10 0 BEAERN COC(=O)N1C[C@H](C)Cc2ccccc21 ZINC000062104551 346201063 /nfs/dbraw/zinc/20/10/63/346201063.db2.gz FVWIRSWJWBLDAH-SECBINFHSA-N 0 0 205.257 2.452 10 0 BEAERN Cc1nn(-c2cccc(C)c2)c(N)c1C ZINC000045628354 179001587 /nfs/dbraw/zinc/00/15/87/179001587.db2.gz URGIAWPVURVPFJ-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1cccc(C(=O)c2cccc(C)n2)n1 ZINC000034124064 346205296 /nfs/dbraw/zinc/20/52/96/346205296.db2.gz HZOBODSAPPCATO-UHFFFAOYSA-N 0 0 212.252 2.324 10 0 in-vitro BEAERN O=Cc1cccc(F)c1N1CC=CCC1 ZINC000236190938 346205930 /nfs/dbraw/zinc/20/59/30/346205930.db2.gz CSLDJQYVOHRXNK-UHFFFAOYSA-N 0 0 205.232 2.405 10 0 BEAERN Cc1nc(N)c2cc(Br)ccc2n1 ZINC000235971533 346180328 /nfs/dbraw/zinc/18/03/28/346180328.db2.gz YCENJNAPFYAUHF-UHFFFAOYSA-N 0 0 238.088 2.283 10 0 BEAERN C[C@@H](CO)Sc1ccc(N)cc1Cl ZINC000136281122 346184809 /nfs/dbraw/zinc/18/48/09/346184809.db2.gz NJMRNZALZBYBFE-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN CCOc1ncc(N)c(C)c1Br ZINC000167038790 346184838 /nfs/dbraw/zinc/18/48/38/346184838.db2.gz ZJKDUALZLWVDJI-UHFFFAOYSA-N 0 0 231.093 2.133 10 0 BEAERN O=Cc1sc(Sc2ncc[nH]2)nc1Cl ZINC000236044267 346186618 /nfs/dbraw/zinc/18/66/18/346186618.db2.gz CPVBQMUIGGQGRG-UHFFFAOYSA-N 0 0 245.716 2.483 10 0 BEAERN Cc1cccc(-c2nc3scnn3c2N)c1 ZINC000095221129 178996998 /nfs/dbraw/zinc/99/69/98/178996998.db2.gz KRQJIOVTUDXCDZ-UHFFFAOYSA-N 0 0 230.296 2.348 10 0 BEAERN C[C@@H]1C[C@H]1CNc1ncnc(Cl)c1C=O ZINC000167218469 346213955 /nfs/dbraw/zinc/21/39/55/346213955.db2.gz GQTKWZQKTOFXPX-RQJHMYQMSA-N 0 0 225.679 2.010 10 0 BEAERN O=C1CCC[C@@H]1SC1CCOCC1 ZINC000062055333 346194413 /nfs/dbraw/zinc/19/44/13/346194413.db2.gz IVJKSBVSESEKOB-JTQLQIEISA-N 0 0 200.303 2.020 10 0 BEAERN CNS(=O)(=O)[C@H]1CCC[C@H](C(C)C)CC1 ZINC000669375485 537955627 /nfs/dbraw/zinc/95/56/27/537955627.db2.gz LNFGCJSWBRGMIP-QWRGUYRKSA-N 0 0 233.377 2.141 10 0 BEAERN Nc1cc(-c2ncno2)ccc1Br ZINC000236359639 346229240 /nfs/dbraw/zinc/22/92/40/346229240.db2.gz FRGONOVUVXRHOF-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Nc1cc(-c2ccoc2Br)on1 ZINC000236358256 346229742 /nfs/dbraw/zinc/22/97/42/346229742.db2.gz UDTKAJJBCAWAFO-UHFFFAOYSA-N 0 0 229.033 2.279 10 0 BEAERN CNS(=O)(=O)C1CCC(C(C)(C)C)CC1 ZINC000669375879 537957728 /nfs/dbraw/zinc/95/77/28/537957728.db2.gz XOXXBCKRXSDMOU-UHFFFAOYSA-N 0 0 233.377 2.141 10 0 BEAERN Nc1ncnc(-c2ccsc2)c1Cl ZINC000236368336 346233061 /nfs/dbraw/zinc/23/30/61/346233061.db2.gz YFWJYTLNSGGIDI-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1nnc(-c2cc(O)ccc2Cl)s1 ZINC000236382187 346233280 /nfs/dbraw/zinc/23/32/80/346233280.db2.gz KXSCVIWRVMYOSB-UHFFFAOYSA-N 0 0 227.676 2.146 10 0 BEAERN O=c1c(Cl)c(Cl)cnn1CC(F)(F)F ZINC000034174227 346216244 /nfs/dbraw/zinc/21/62/44/346216244.db2.gz WRECSZCHPLHDPH-UHFFFAOYSA-N 0 0 247.003 2.112 10 0 BEAERN CCOC(CNOCc1ccccc1)OCC ZINC000034195085 346222726 /nfs/dbraw/zinc/22/27/26/346222726.db2.gz TWNITNWMJGKUEG-UHFFFAOYSA-N 0 0 239.315 2.107 10 0 BEAERN N[C@@H](C1=CCCO1)c1ncccc1Cl ZINC000236307458 346223436 /nfs/dbraw/zinc/22/34/36/346223436.db2.gz RYMRACBOCXAKRD-VIFPVBQESA-N 0 0 210.664 2.039 10 0 BEAERN CC(=O)c1c(O)cccc1OC(F)(F)F ZINC000167261219 346223450 /nfs/dbraw/zinc/22/34/50/346223450.db2.gz AMDXYFRUBRLXGH-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN O=Cc1ccc(NC(=O)CC2CC2)cc1 ZINC000236413198 346237963 /nfs/dbraw/zinc/23/79/63/346237963.db2.gz DLNDRRNDNZGAJK-UHFFFAOYSA-N 0 0 203.241 2.238 10 0 BEAERN CC(C)[C@H](C)Nc1nccc2nccnc21 ZINC000621243967 349945534 /nfs/dbraw/zinc/94/55/34/349945534.db2.gz YEIFDAAUCSXWRW-VIFPVBQESA-N 0 0 216.288 2.481 10 0 BEAERN CCOC(OCC)C(=O)c1ccc(OC)cc1 ZINC000034279348 346242087 /nfs/dbraw/zinc/24/20/87/346242087.db2.gz UBVAZGGQCFMFKW-UHFFFAOYSA-N 0 0 238.283 2.277 10 0 BEAERN O=C(Cc1ccco1)C1(O)CCCCC1 ZINC000236474806 346243406 /nfs/dbraw/zinc/24/34/06/346243406.db2.gz HXCAPHPWAYSTKC-UHFFFAOYSA-N 0 0 208.257 2.086 10 0 BEAERN O[C@H](c1ccc(Cl)cc1)[C@@H](O)C1CC1 ZINC000236523361 346245808 /nfs/dbraw/zinc/24/58/08/346245808.db2.gz VNWGQNNOPULWJC-WDEREUQCSA-N 0 0 212.676 2.144 10 0 BEAERN O[C@@H]1CCCC[C@H]1SC[C@H]1CCCO1 ZINC000236523351 346246281 /nfs/dbraw/zinc/24/62/81/346246281.db2.gz JWUMRXCRDTUQTH-GMTAPVOTSA-N 0 0 216.346 2.202 10 0 BEAERN FC(F)CN1C(=S)N=NC1c1ccccc1 ZINC000147910851 537958996 /nfs/dbraw/zinc/95/89/96/537958996.db2.gz VEABNTBSMOXAMB-UHFFFAOYSA-N 0 0 241.266 2.499 10 0 BEAERN Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H]32)c1O ZINC000336319547 179013512 /nfs/dbraw/zinc/01/35/12/179013512.db2.gz AOKVRMWCIUZWFI-PWSUYJOCSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C3)c1N ZINC000049715762 179013875 /nfs/dbraw/zinc/01/38/75/179013875.db2.gz ZTRPXEJUIIIGCE-WDEREUQCSA-N 0 0 230.311 2.202 10 0 BEAERN Cc1cc(O)cc(NC(=O)C(F)(F)F)c1 ZINC000034349380 346251571 /nfs/dbraw/zinc/25/15/71/346251571.db2.gz LXBBIZXFTXTKOI-UHFFFAOYSA-N 0 0 219.162 2.201 10 0 BEAERN Cc1cccc(C(=O)NCCC(F)(F)F)c1N ZINC000063098550 179016416 /nfs/dbraw/zinc/01/64/16/179016416.db2.gz MVZWXEZHMYUUQH-UHFFFAOYSA-N 0 0 246.232 2.259 10 0 BEAERN CNS(=O)(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000669376456 537961209 /nfs/dbraw/zinc/96/12/09/537961209.db2.gz SZUAMXJGPRPKJX-QMMMGPOBSA-N 0 0 239.296 2.043 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)[C@@H](C)CO)c1C ZINC000133487454 179023878 /nfs/dbraw/zinc/02/38/78/179023878.db2.gz NCOZRLCRENVFNR-CMPLNLGQSA-N 0 0 235.327 2.050 10 0 BEAERN O=C1Nc2ccc(C(F)(F)F)nc2CO1 ZINC000669376712 537963028 /nfs/dbraw/zinc/96/30/28/537963028.db2.gz JYLGACVQMZNCIB-UHFFFAOYSA-N 0 0 218.134 2.163 10 0 BEAERN CCOC(=O)[C@@H](O)C1(F)CCC(CC)CC1 ZINC000675052615 537963711 /nfs/dbraw/zinc/96/37/11/537963711.db2.gz GZLYUCBFZWCKDY-SQLBVSGCSA-N 0 0 232.295 2.219 10 0 BEAERN Nc1ccccc1[S@](=O)c1ccccc1 ZINC000005593681 346269343 /nfs/dbraw/zinc/26/93/43/346269343.db2.gz JLOIOAHBUWWPRI-HNNXBMFYSA-N 0 0 217.293 2.436 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1nc2ccccc2o1 ZINC000332755438 537964111 /nfs/dbraw/zinc/96/41/11/537964111.db2.gz MZXOOTSARWUPMT-GXSJLCMTSA-N 0 0 244.294 2.285 10 0 BEAERN Cc1cccc(C(=O)NC[C@H]2CCC[C@H]2O)c1C ZINC000089162190 179018219 /nfs/dbraw/zinc/01/82/19/179018219.db2.gz PPRZIERUOCXASF-TZMCWYRMSA-N 0 0 247.338 2.194 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1nc2ccccc2o1 ZINC000332755440 537964273 /nfs/dbraw/zinc/96/42/73/537964273.db2.gz MZXOOTSARWUPMT-ONGXEEELSA-N 0 0 244.294 2.285 10 0 BEAERN CCC1(c2c(N)n[nH]c2N)CCCCC1 ZINC000167560524 346276845 /nfs/dbraw/zinc/27/68/45/346276845.db2.gz MWPWMELYJSBFBI-UHFFFAOYSA-N 0 0 208.309 2.186 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)C2CC2)c1N ZINC000035141241 179021239 /nfs/dbraw/zinc/02/12/39/179021239.db2.gz UIWXNAVUTNRKNT-VIFPVBQESA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCCCC[C@H]2O)c1 ZINC000135928774 179021402 /nfs/dbraw/zinc/02/14/02/179021402.db2.gz AFQUGPXINPHVSI-ZIAGYGMSSA-N 0 0 247.338 2.418 10 0 BEAERN C=CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000034420611 346279642 /nfs/dbraw/zinc/27/96/42/346279642.db2.gz XPRPLYWRNZUUHW-UHFFFAOYSA-N 0 0 205.301 2.113 10 0 BEAERN Fc1nccnc1OCc1ccccc1 ZINC000402746234 346285928 /nfs/dbraw/zinc/28/59/28/346285928.db2.gz WHNPQFUZTYMLNV-UHFFFAOYSA-N 0 0 204.204 2.195 10 0 BEAERN Nc1ccc2ccn([C@H]3CCOC3)c2c1 ZINC000308618186 537966931 /nfs/dbraw/zinc/96/69/31/537966931.db2.gz MCMIHASAWVHTGE-NSHDSACASA-N 0 0 202.257 2.185 10 0 BEAERN Cc1cccc(C)c1OCC1N=NC(=S)N1 ZINC000005981851 179048286 /nfs/dbraw/zinc/04/82/86/179048286.db2.gz GWXGMGFQCSMELS-UHFFFAOYSA-N 0 0 235.312 2.289 10 0 BEAERN Cc1cccc(CCc2cc(N)n(C)n2)c1 ZINC000041228471 179062503 /nfs/dbraw/zinc/06/25/03/179062503.db2.gz CJLVXPVYZMFPNX-UHFFFAOYSA-N 0 0 215.300 2.096 10 0 BEAERN Cn1c(C2CCCC2)n[n-]c1=[NH+]C(C)(C)C ZINC000381604044 346411702 /nfs/dbraw/zinc/41/17/02/346411702.db2.gz PDCKDOSWQLJATQ-UHFFFAOYSA-N 0 0 222.336 2.105 10 0 BEAERN Cc1cccc(CNC(=O)c2ccccc2O)n1 ZINC000048481841 179088490 /nfs/dbraw/zinc/08/84/90/179088490.db2.gz MYTQKKPVLDHYKA-UHFFFAOYSA-N 0 0 242.278 2.026 10 0 BEAERN NN[C@@H](C1CCCC1)[C@@H]1CCCCS1 ZINC000229674737 346451646 /nfs/dbraw/zinc/45/16/46/346451646.db2.gz WUGQHGVGOVHEDL-QWRGUYRKSA-N 0 0 214.378 2.294 10 0 BEAERN O[C@@H]1CCO[C@@H](CCc2ccccc2)C1 ZINC000069850586 349962360 /nfs/dbraw/zinc/96/23/60/349962360.db2.gz HIFVIQBYTOVQAP-OLZOCXBDSA-N 0 0 206.285 2.159 10 0 BEAERN CC1CC(C(=O)N2OC3CCC2CC3)C1 ZINC000636406571 346483987 /nfs/dbraw/zinc/48/39/87/346483987.db2.gz WHXVSIFGQVUHMX-UHFFFAOYSA-N 0 0 209.289 2.118 10 0 BEAERN CC(C)(C)Cc1nnc2cncc(Cl)n21 ZINC000162048590 346507799 /nfs/dbraw/zinc/50/77/99/346507799.db2.gz ITFXIICFWLUBOX-UHFFFAOYSA-N 0 0 224.695 2.366 10 0 BEAERN O=C(Nc1cncc(Cl)n1)c1ccsc1 ZINC000162215857 346515145 /nfs/dbraw/zinc/51/51/45/346515145.db2.gz LDDJGKMTONEBOF-UHFFFAOYSA-N 0 0 239.687 2.444 10 0 BEAERN CC(=O)c1ccc(C2C(C)=NN(C)C2=O)cc1 ZINC000675055078 537982192 /nfs/dbraw/zinc/98/21/92/537982192.db2.gz YIGHSIRFYGNXAV-UHFFFAOYSA-N 0 0 230.267 2.304 10 0 BEAERN CCOP(=O)(CCC(C)=O)OCC ZINC000002039994 346492702 /nfs/dbraw/zinc/49/27/02/346492702.db2.gz JTQRTGRGGCXPMU-UHFFFAOYSA-N 0 0 208.194 2.232 10 0 BEAERN C[C@H]1C[C@H](n2ncc(C=O)c2N)C[C@@H](C)C1 ZINC000725242314 537983512 /nfs/dbraw/zinc/98/35/12/537983512.db2.gz SXNJHNHJOLXYKX-JZYVYDRUSA-N 0 0 221.304 2.275 10 0 BEAERN O=C1CCSc2nc(Cl)ccc2N1 ZINC000162765863 346537822 /nfs/dbraw/zinc/53/78/22/346537822.db2.gz FHGDESDEIJUCHQ-UHFFFAOYSA-N 0 0 214.677 2.169 10 0 BEAERN Cc1cc(-n2ccnc2)ncc1Br ZINC000164047023 346588085 /nfs/dbraw/zinc/58/80/85/346588085.db2.gz XBJAIZKFQGOUAU-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CCn1ccnc1C[S@@](=O)c1ccccc1 ZINC000177291101 346595780 /nfs/dbraw/zinc/59/57/80/346595780.db2.gz YOQWXOBHSODAKF-MRXNPFEDSA-N 0 0 234.324 2.211 10 0 BEAERN O=C(Cc1csc(=O)[nH]1)c1ccccc1 ZINC000164275093 346598266 /nfs/dbraw/zinc/59/82/66/346598266.db2.gz JYOUOPUEHSGNMG-UHFFFAOYSA-N 0 0 219.265 2.274 10 0 BEAERN CCc1ccc(N(C)C(=S)NC)cc1 ZINC000164290594 346598676 /nfs/dbraw/zinc/59/86/76/346598676.db2.gz GVDGONNNNFJDIB-UHFFFAOYSA-N 0 0 208.330 2.190 10 0 BEAERN C[C@@]1(C(=O)[C@@H]2CCCO2)CCCS1 ZINC000164746332 346622439 /nfs/dbraw/zinc/62/24/39/346622439.db2.gz ADPAPETZZYLHJU-WPRPVWTQSA-N 0 0 200.303 2.020 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@@H](C)C1CC1 ZINC000035732587 179119521 /nfs/dbraw/zinc/11/95/21/179119521.db2.gz KKKQHIXDSAWTSD-VIFPVBQESA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cccc(NC(=O)NC[C@H]2CCC[C@H]2O)c1 ZINC000089165024 179134535 /nfs/dbraw/zinc/13/45/35/179134535.db2.gz NMIZGWVQHVIPTA-DGCLKSJQSA-N 0 0 248.326 2.278 10 0 BEAERN COC(=O)c1cc2nc(C)n(C)c2cc1Cl ZINC000165343029 346648988 /nfs/dbraw/zinc/64/89/88/346648988.db2.gz NDHOSKPAJAIWMI-UHFFFAOYSA-N 0 0 238.674 2.322 10 0 BEAERN Cc1cccc(NC(=O)[C@@H](C)C(N)=S)c1C ZINC000044832439 179137175 /nfs/dbraw/zinc/13/71/75/179137175.db2.gz SAUYMRRCBWOPKM-VIFPVBQESA-N 0 0 236.340 2.164 10 0 BEAERN C[C@H]1CCC[N@@H+](C2CCC(C(=O)[O-])CC2)C1 ZINC000108275674 346668168 /nfs/dbraw/zinc/66/81/68/346668168.db2.gz VJLFCBKYGNIQKQ-UNXYVOJBSA-N 0 0 225.332 2.362 10 0 BEAERN Cc1cccc(NC(=O)N(C)CC2CC(O)C2)c1 ZINC000091499496 179130205 /nfs/dbraw/zinc/13/02/05/179130205.db2.gz FJIXXJDZAWUYFT-UHFFFAOYSA-N 0 0 248.326 2.230 10 0 BEAERN O=C(C[C@@H](O)C(F)(F)F)OCc1ccccc1 ZINC000164998275 346635753 /nfs/dbraw/zinc/63/57/53/346635753.db2.gz YRIZYPYJRHZYDD-SECBINFHSA-N 0 0 248.200 2.043 10 0 BEAERN COc1ccc2nc(C(C)(C)C)c(=O)[nH]c2c1 ZINC000165058526 346636776 /nfs/dbraw/zinc/63/67/76/346636776.db2.gz JDFBPUTUQUVVCR-UHFFFAOYSA-N 0 0 232.283 2.229 10 0 BEAERN Cc1cccc(NCCC(=O)N(C)C)c1C ZINC000037897871 179144217 /nfs/dbraw/zinc/14/42/17/179144217.db2.gz OSOHRVMUHVASQX-UHFFFAOYSA-N 0 0 220.316 2.194 10 0 BEAERN CC(C)[C@@H](NN)c1c(F)cccc1F ZINC000166835970 346692172 /nfs/dbraw/zinc/69/21/72/346692172.db2.gz ZENCYQYTIZBPRV-SNVBAGLBSA-N 0 0 200.232 2.125 10 0 BEAERN Cc1cc(Br)c(N)cc1O ZINC000169564982 346765633 /nfs/dbraw/zinc/76/56/33/346765633.db2.gz MTBDJQGNFNTVSL-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN Nc1nccnc1Sc1cccs1 ZINC000230678291 346730788 /nfs/dbraw/zinc/73/07/88/346730788.db2.gz TWSDTPSZDQRQFH-UHFFFAOYSA-N 0 0 209.299 2.272 10 0 BEAERN C[C@@H](Nc1nnnn1C)c1ccc(Cl)s1 ZINC000062939139 346752457 /nfs/dbraw/zinc/75/24/57/346752457.db2.gz GIYGXHACTVRGDS-RXMQYKEDSA-N 0 0 243.723 2.098 10 0 BEAERN Cc1cccc(O)c1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189942025 179159950 /nfs/dbraw/zinc/15/99/50/179159950.db2.gz XMMDGVQQISDVLL-WDEREUQCSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1ccn(C(=O)COc2cccc(C)c2)n1 ZINC000000504490 179163477 /nfs/dbraw/zinc/16/34/77/179163477.db2.gz YONURLZLTCLYCC-UHFFFAOYSA-N 0 0 230.267 2.219 10 0 BEAERN Cc1cccc(OCCN2CCC(=O)[C@H](C)C2)c1 ZINC000042896710 179165625 /nfs/dbraw/zinc/16/56/25/179165625.db2.gz XOZOPIASVVVACO-CYBMUJFWSA-N 0 0 247.338 2.285 10 0 BEAERN Cc1nn(C)cc1NC/C(Cl)=C\Cl ZINC000308111722 346798301 /nfs/dbraw/zinc/79/83/01/346798301.db2.gz YFXWRXOWZMAWQI-XVNBXDOJSA-N 0 0 220.103 2.459 10 0 BEAERN Cc1nccn1CCOc1cccc(C)c1N ZINC000049329277 179169978 /nfs/dbraw/zinc/16/99/78/179169978.db2.gz SYWGJSYUXNYWJR-UHFFFAOYSA-N 0 0 231.299 2.161 10 0 BEAERN Cc1nn(C)c(Nc2cccc(C)c2)c1N ZINC000036749216 179159435 /nfs/dbraw/zinc/15/94/35/179159435.db2.gz YTCHGFZFOHNSJQ-UHFFFAOYSA-N 0 0 216.288 2.363 10 0 BEAERN NCC(F)(F)COc1ccc(Cl)cc1 ZINC000258318899 537987020 /nfs/dbraw/zinc/98/70/20/537987020.db2.gz SZCHAGNCNUUDSG-UHFFFAOYSA-N 0 0 221.634 2.313 10 0 BEAERN CCCC(=O)N[C@@H]1CCc2c1cccc2N ZINC000669380303 537986816 /nfs/dbraw/zinc/98/68/16/537986816.db2.gz LCAMYKOLHRSKOT-GFCCVEGCSA-N 0 0 218.300 2.172 10 0 BEAERN Cc1cccc(Oc2nsc(N)n2)c1 ZINC000075614359 179176211 /nfs/dbraw/zinc/17/62/11/179176211.db2.gz KPORCYNSDYNCFR-UHFFFAOYSA-N 0 0 207.258 2.221 10 0 BEAERN OCc1ccc(CCc2ccc(CO)cc2)cc1 ZINC000038977278 347174290 /nfs/dbraw/zinc/17/42/90/347174290.db2.gz DVHASEDTYIEIDC-UHFFFAOYSA-N 0 0 242.318 2.456 10 0 BEAERN CCOC(=O)C[C@H]1CCc2ccc(O)cc2C1 ZINC000039120908 347179357 /nfs/dbraw/zinc/17/93/57/347179357.db2.gz OSMCGKDNJDWNOZ-JTQLQIEISA-N 0 0 234.295 2.450 10 0 BEAERN Cc1ccc(S(=O)(=O)N2[C@H](C)C[C@@H]2C)cc1 ZINC000206119538 347270909 /nfs/dbraw/zinc/27/09/09/347270909.db2.gz RKBXNUSTVZVGGR-PHIMTYICSA-N 0 0 239.340 2.166 10 0 BEAERN C[C@@H](O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000149505614 347283851 /nfs/dbraw/zinc/28/38/51/347283851.db2.gz SKGCMMQLWFTJPO-YPMHNXCESA-N 0 0 249.310 2.026 10 0 BEAERN CC1(CC(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000334505199 133659918 /nfs/dbraw/zinc/65/99/18/133659918.db2.gz PTTZNNXRZFDFLD-VXGBXAGGSA-N 0 0 249.354 2.204 10 0 BEAERN Cc1ccnc(Sc2cc(Cl)ncn2)n1 ZINC000051331765 347360683 /nfs/dbraw/zinc/36/06/83/347360683.db2.gz QZUARSFNWQCGNT-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H](c2ccccc2)CCN1 ZINC000138277219 347367839 /nfs/dbraw/zinc/36/78/39/347367839.db2.gz BFQQCYSPWIXGQG-QWHCGFSZSA-N 0 0 233.311 2.085 10 0 BEAERN COc1ccccc1[C@H]1COCCN1C(C)C ZINC000149627200 347379588 /nfs/dbraw/zinc/37/95/88/347379588.db2.gz KTDVPLBCPHLLCL-CYBMUJFWSA-N 0 0 235.327 2.477 10 0 BEAERN Cc1cccc2c1N(C[C@H](O)C(F)(F)F)CC2 ZINC000121541927 179220342 /nfs/dbraw/zinc/22/03/42/179220342.db2.gz JWEDFTBFHTWVKK-JTQLQIEISA-N 0 0 245.244 2.281 10 0 BEAERN Cc1cccc2nc([C@H]3CCCO3)[nH]c(=O)c12 ZINC000333709481 179231426 /nfs/dbraw/zinc/23/14/26/179231426.db2.gz LXUOBZFKKDEHCI-SNVBAGLBSA-N 0 0 230.267 2.495 10 0 BEAERN CC1(C)CCC[C@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000251116628 362838515 /nfs/dbraw/zinc/83/85/15/362838515.db2.gz DISZRVCQDGQFCO-VHSXEESVSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1ccccc1-n1nnc(CO)c1C(C)C ZINC000062244355 179242993 /nfs/dbraw/zinc/24/29/93/179242993.db2.gz WIUGHLKGOZZPPY-UHFFFAOYSA-N 0 0 231.299 2.191 10 0 BEAERN C[C@H](C1CC1)N(C)C(=O)c1cccc(F)c1N ZINC000054207841 1172093065 /nfs/dbraw/zinc/09/30/65/1172093065.db2.gz KAIPIRCXNDLVCO-MRVPVSSYSA-N 0 0 236.290 2.278 10 0 BEAERN COC(=O)c1csc([C@@H]2CC[C@@H](C)O2)n1 ZINC000149809189 347521542 /nfs/dbraw/zinc/52/15/42/347521542.db2.gz CZTNEYDCIPPNHS-SVRRBLITSA-N 0 0 227.285 2.170 10 0 BEAERN Nc1[nH]c(=O)n(Cc2ccccc2)c1C1CCC1 ZINC000149720838 347502320 /nfs/dbraw/zinc/50/23/20/347502320.db2.gz CXRMYLVHQGJTRP-GFCCVEGCSA-N 0 0 243.310 2.148 10 0 BEAERN Nc1ccc(F)cc1C(=O)c1ccoc1 ZINC000150053555 347592257 /nfs/dbraw/zinc/59/22/57/347592257.db2.gz OSNDMXDEHZNLER-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN CCc1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243341 537991696 /nfs/dbraw/zinc/99/16/96/537991696.db2.gz YBEFUJUIAWMYAP-UHFFFAOYSA-N 0 0 217.272 2.265 10 0 BEAERN Cc1ccccc1CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000123704617 179280265 /nfs/dbraw/zinc/28/02/65/179280265.db2.gz LLFSRCFEURINEI-WCQYABFASA-N 0 0 233.311 2.179 10 0 BEAERN Cc1ccccc1CNc1ncccc1C(N)=O ZINC000022977151 179286263 /nfs/dbraw/zinc/28/62/63/179286263.db2.gz CQYMJZCSTCORQM-UHFFFAOYSA-N 0 0 241.294 2.101 10 0 BEAERN C[Si](C)(C)C(C(N)=O)[Si](C)(C)C ZINC000195989697 347760508 /nfs/dbraw/zinc/76/05/08/347760508.db2.gz NDVMCQUOSYOQMZ-UHFFFAOYSA-N 0 0 203.434 2.058 10 0 BEAERN Cc1ccccc1Cn1c(CO)c[nH]c1=S ZINC000019724505 179293428 /nfs/dbraw/zinc/29/34/28/179293428.db2.gz XIMKXHZSMCJVLA-UHFFFAOYSA-N 0 0 234.324 2.395 10 0 BEAERN CCc1nsc(N2CCS[C@@H](C)C2)n1 ZINC000176920063 365928148 /nfs/dbraw/zinc/92/81/48/365928148.db2.gz UEDWPGAUDVXTIS-ZETCQYMHSA-N 0 0 229.374 2.042 10 0 BEAERN CCC(C)(C)c1nc2cc(C)cc(O)n2n1 ZINC000725243109 537992722 /nfs/dbraw/zinc/99/27/22/537992722.db2.gz LCYUACSVKVZGRM-UHFFFAOYSA-N 0 0 219.288 2.431 10 0 BEAERN Cc1ccccc1NCC(=O)N(C)C(C)C ZINC000058946889 179304993 /nfs/dbraw/zinc/30/49/93/179304993.db2.gz DFEZQCJHGLZFQM-UHFFFAOYSA-N 0 0 220.316 2.274 10 0 BEAERN CCc1cc2nc(C(C)C)nn2c(O)c1 ZINC000725243345 537992778 /nfs/dbraw/zinc/99/27/78/537992778.db2.gz YHFJOPKLSGLUEC-UHFFFAOYSA-N 0 0 205.261 2.121 10 0 BEAERN COC(=O)c1cc2ccccc2c(C(=O)OC)c1 ZINC000196429861 347882565 /nfs/dbraw/zinc/88/25/65/347882565.db2.gz BOQDCFSVQMFGKS-UHFFFAOYSA-N 0 0 244.246 2.413 10 0 BEAERN Cc1ccccc1Oc1ccc(N)cc1C(N)=O ZINC000041080297 179314480 /nfs/dbraw/zinc/31/44/80/179314480.db2.gz DGXYATFSQPXZPK-UHFFFAOYSA-N 0 0 242.278 2.468 10 0 BEAERN CCC[NH2+][C@@H](c1ocnc1C(=O)[O-])C(C)C ZINC000616569950 347881427 /nfs/dbraw/zinc/88/14/27/347881427.db2.gz ZBSRXDULIGOUKA-MRVPVSSYSA-N 0 0 226.276 2.070 10 0 BEAERN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCS1 ZINC000253072558 347932937 /nfs/dbraw/zinc/93/29/37/347932937.db2.gz ODAZNNKLDDVAJI-WRWGMCAJSA-N 0 0 239.384 2.387 10 0 BEAERN O=C1C2CCC(CC2)[C@]1(O)c1ccccc1 ZINC000196601462 347951645 /nfs/dbraw/zinc/95/16/45/347951645.db2.gz RHRLAJUVPLESGE-MMWSSPAHSA-N 0 0 216.280 2.263 10 0 BEAERN O=C1C2CCC(CC2)[C@@]1(O)c1ccccc1 ZINC000196601452 347951420 /nfs/dbraw/zinc/95/14/20/347951420.db2.gz RHRLAJUVPLESGE-OVGLSYRBSA-N 0 0 216.280 2.263 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)c1csnn1 ZINC000075452879 179337340 /nfs/dbraw/zinc/33/73/40/179337340.db2.gz VMDQCINVAVJIEA-VIFPVBQESA-N 0 0 247.323 2.338 10 0 BEAERN C=CC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037013587 348014302 /nfs/dbraw/zinc/01/43/02/348014302.db2.gz ACTUDKLZJDCIFM-JGVFFNPUSA-N 0 0 221.222 2.410 10 0 BEAERN Cc1ccccc1[C@@H]1Cc2c(cnn2C)[C@H](O)C1 ZINC000072415820 179331566 /nfs/dbraw/zinc/33/15/66/179331566.db2.gz RTOMKWXQKYFGHP-IAQYHMDHSA-N 0 0 242.322 2.492 10 0 BEAERN C/C=C\C(=O)NC[C@H]1CCNc2ccccc21 ZINC000616570354 348069548 /nfs/dbraw/zinc/06/95/48/348069548.db2.gz FURQOMBMMOYCFL-SRMRHOMVSA-N 0 0 230.311 2.278 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]1(C)Cc1cccs1 ZINC000669382438 537997215 /nfs/dbraw/zinc/99/72/15/537997215.db2.gz HMKJDEWVFUNFCB-KOLCDFICSA-N 0 0 226.297 2.011 10 0 BEAERN CC(C)(C)OC(=O)c1ccc2ccn(N)c2c1 ZINC000221249618 348114460 /nfs/dbraw/zinc/11/44/60/348114460.db2.gz BQBJOOVLWVVSMF-UHFFFAOYSA-N 0 0 232.283 2.310 10 0 BEAERN Cc1cccn(CCNc2ccc(F)cc2)c1=O ZINC000062986559 179352360 /nfs/dbraw/zinc/35/23/60/179352360.db2.gz LFVMUUQKCBHILW-UHFFFAOYSA-N 0 0 246.285 2.408 10 0 BEAERN Cc1noc2nc(CC3CC3)cc(N)c12 ZINC000669382484 537998076 /nfs/dbraw/zinc/99/80/76/537998076.db2.gz BDRSRKNCZVQOQP-UHFFFAOYSA-N 0 0 203.245 2.066 10 0 BEAERN Cc1cc(Br)cc(F)c1CO ZINC000203294170 348139083 /nfs/dbraw/zinc/13/90/83/348139083.db2.gz PESYSSUAYBQHJY-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12C[C@@H]1CCCC[C@H]12 ZINC000669382156 537998619 /nfs/dbraw/zinc/99/86/19/537998619.db2.gz AOIMETFHBNTZHK-YGNMPJRFSA-N 0 0 224.300 2.287 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12C[C@H]1CCCC[C@@H]12 ZINC000669382151 537998815 /nfs/dbraw/zinc/99/88/15/537998815.db2.gz AOIMETFHBNTZHK-DNIRFERGSA-N 0 0 224.300 2.287 10 0 BEAERN CCO[C@H]1OC(=O)C[C@H]1Cc1ccccc1 ZINC000223332525 348232638 /nfs/dbraw/zinc/23/26/38/348232638.db2.gz QMCMVRBDBSVYLS-YPMHNXCESA-N 0 0 220.268 2.155 10 0 BEAERN CCCc1cc2nc(COC)nn2c(Cl)c1 ZINC000725245406 538000588 /nfs/dbraw/zinc/00/05/88/538000588.db2.gz DFKKMQHBSSTFLI-UHFFFAOYSA-N 0 0 239.706 2.482 10 0 BEAERN O=C(NCC1CCCCC1)n1ccnc1 ZINC000037260001 348293867 /nfs/dbraw/zinc/29/38/67/348293867.db2.gz FQLXGOVRRVUBGY-UHFFFAOYSA-N 0 0 207.277 2.021 10 0 BEAERN O[C@H](c1ccc(-c2cnco2)nc1)C(F)(F)F ZINC000204208719 348280199 /nfs/dbraw/zinc/28/01/99/348280199.db2.gz UAZAZMVBFZDIKU-SECBINFHSA-N 0 0 244.172 2.332 10 0 BEAERN Cc1cccnc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000188805627 179392369 /nfs/dbraw/zinc/39/23/69/179392369.db2.gz VOXCGSWEJBSXFZ-QWRGUYRKSA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cc(CO)ccc1NC(=O)C(C)(C)C ZINC000230450892 348315714 /nfs/dbraw/zinc/31/57/14/348315714.db2.gz FUKYXYYRAVOOLN-UHFFFAOYSA-N 0 0 221.300 2.472 10 0 BEAERN CO[C@H](C)C(=O)c1ccc(F)cc1F ZINC000037346597 348348414 /nfs/dbraw/zinc/34/84/14/348348414.db2.gz CKLHPKQCFMMNDR-ZCFIWIBFSA-N 0 0 200.184 2.182 10 0 BEAERN O=c1[nH]c(-c2ccc(F)cc2)nc2c1CCC2 ZINC000042401125 187394514 /nfs/dbraw/zinc/39/45/14/187394514.db2.gz CUJGESDMNIDQLT-UHFFFAOYSA-N 0 0 230.242 2.065 10 0 BEAERN Cc1ccn(-c2ccc(Br)nc2)n1 ZINC000072192996 179399311 /nfs/dbraw/zinc/39/93/11/179399311.db2.gz PHNAUZNXIXHQPI-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCCCC1(C)C ZINC000251565894 362887236 /nfs/dbraw/zinc/88/72/36/362887236.db2.gz SITHFRINUCGZNC-UWVGGRQHSA-N 0 0 213.321 2.360 10 0 BEAERN Clc1nc(NCC2CC2)nc2c1CCC2 ZINC000057345580 187395928 /nfs/dbraw/zinc/39/59/28/187395928.db2.gz LLDFTZYSBULULT-UHFFFAOYSA-N 0 0 223.707 2.441 10 0 BEAERN CCN(c1nsnc1Cl)C1CC1 ZINC000037372301 348355666 /nfs/dbraw/zinc/35/56/66/348355666.db2.gz VWIRIENYQKXQFN-UHFFFAOYSA-N 0 0 203.698 2.180 10 0 BEAERN C[C@H](Nc1nsnc1Cl)[C@H]1CCCO1 ZINC000037372410 348357061 /nfs/dbraw/zinc/35/70/61/348357061.db2.gz ROBDFHZDHWMVRM-NTSWFWBYSA-N 0 0 233.724 2.171 10 0 BEAERN NNCc1ccc(Br)cc1Cl ZINC000037366863 348357748 /nfs/dbraw/zinc/35/77/48/348357748.db2.gz SYJGUECWHKFKGZ-UHFFFAOYSA-N 0 0 235.512 2.066 10 0 BEAERN Cc1ccc(N2CCSCC2)c(N)c1 ZINC000037401188 348421381 /nfs/dbraw/zinc/42/13/81/348421381.db2.gz KTCYYFPDYVXCNC-UHFFFAOYSA-N 0 0 208.330 2.130 10 0 BEAERN C[Si](C)(C)CCSC[C@@H]1COCO1 ZINC000725245927 538004461 /nfs/dbraw/zinc/00/44/61/538004461.db2.gz NVJJVEYAAXMMBV-VIFPVBQESA-N 0 0 220.410 2.431 10 0 BEAERN CC(C)CCN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000129735970 490165966 /nfs/dbraw/zinc/16/59/66/490165966.db2.gz ZMFAHMKEZVNUDF-GHMZBOCLSA-N 0 0 213.321 2.058 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12CCC21CCCC1 ZINC000669382814 538005471 /nfs/dbraw/zinc/00/54/71/538005471.db2.gz DNHURGCEDJWCCA-STQMWFEESA-N 0 0 224.300 2.431 10 0 BEAERN Cc1ccnc(N[C@@H]2COc3ccccc32)n1 ZINC000070530217 179457826 /nfs/dbraw/zinc/45/78/26/179457826.db2.gz ZKWFQVFPFVNAGE-LLVKDONJSA-N 0 0 227.267 2.331 10 0 BEAERN Cc1ccnc(Nc2ncnc(Cl)c2N)c1 ZINC000040571677 179461296 /nfs/dbraw/zinc/46/12/96/179461296.db2.gz WEZGVQLAEPMFLH-UHFFFAOYSA-N 0 0 235.678 2.159 10 0 BEAERN CC(C)[C@@H]1CNC(=O)N(Cc2ccccc2)C1=O ZINC000216356395 349995966 /nfs/dbraw/zinc/99/59/66/349995966.db2.gz REMKPIGQLMPXPK-LBPRGKRZSA-N 0 0 246.310 2.011 10 0 BEAERN CC(=O)c1cnn(Cc2cccc(F)c2)c1 ZINC000054716067 348465728 /nfs/dbraw/zinc/46/57/28/348465728.db2.gz UPXWCFCYEZQPGP-UHFFFAOYSA-N 0 0 218.231 2.273 10 0 BEAERN C[C@@H]1CN(c2cccc(Cl)n2)[C@@H](C)CO1 ZINC000216462000 348543465 /nfs/dbraw/zinc/54/34/65/348543465.db2.gz XECYXSPRODMQQM-DTWKUNHWSA-N 0 0 226.707 2.349 10 0 BEAERN Clc1cc(CC2CC2)cc2ncnn21 ZINC000725246374 538006360 /nfs/dbraw/zinc/00/63/60/538006360.db2.gz XDNVRIFVETZXFS-UHFFFAOYSA-N 0 0 207.664 2.335 10 0 BEAERN Cc1ccoc1C(=O)NC1(CO)CCCCC1 ZINC000053074266 179506005 /nfs/dbraw/zinc/50/60/05/179506005.db2.gz ONLZPSSNNJYMNO-UHFFFAOYSA-N 0 0 237.299 2.013 10 0 BEAERN CCOC(=O)C[C@H]1C=CC[C@H](C(C)=O)C1 ZINC000584657994 490178468 /nfs/dbraw/zinc/17/84/68/490178468.db2.gz HPXMSQOQTFIAAM-QWRGUYRKSA-N 0 0 210.273 2.111 10 0 BEAERN CCOC(=O)C[C@H]1C=CC[C@@H](C(C)=O)C1 ZINC000584657995 490178493 /nfs/dbraw/zinc/17/84/93/490178493.db2.gz HPXMSQOQTFIAAM-WDEREUQCSA-N 0 0 210.273 2.111 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@@H]1CCC[C@@H]12 ZINC000669383508 538008477 /nfs/dbraw/zinc/00/84/77/538008477.db2.gz SCOSWENFTXTDCC-DJIHRAIXSA-N 0 0 224.300 2.287 10 0 BEAERN CC(C)n1cncc1-c1cnn2cccnc12 ZINC000725246357 538007295 /nfs/dbraw/zinc/00/72/95/538007295.db2.gz WFQOZMSULLFBBT-UHFFFAOYSA-N 0 0 227.271 2.174 10 0 BEAERN CCC[C@@H](O)c1ccc(C(=O)OC)cc1 ZINC000038867043 348729536 /nfs/dbraw/zinc/72/95/36/348729536.db2.gz HNLHOTAEVWZOMO-LLVKDONJSA-N 0 0 208.257 2.307 10 0 BEAERN COC(=O)[C@@H]1O[C@@]1(C)CC1CCCCC1 ZINC000669383681 538011029 /nfs/dbraw/zinc/01/10/29/538011029.db2.gz VERZOYOFUSGDSP-JQWIXIFHSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]1(C)Cc1ccsc1 ZINC000669383783 538010800 /nfs/dbraw/zinc/01/08/00/538010800.db2.gz WQAJPOFTVPHTRC-WDEREUQCSA-N 0 0 226.297 2.011 10 0 BEAERN C/C=C/CS(=O)(=O)c1ccc(C)cc1 ZINC000005132857 348765724 /nfs/dbraw/zinc/76/57/24/348765724.db2.gz WCTXVIZVJWOLBD-ONEGZZNKSA-N 0 0 210.298 2.345 10 0 BEAERN Cc1cc(N)c2c(n1)onc2C(F)(F)F ZINC000669384042 538012286 /nfs/dbraw/zinc/01/22/86/538012286.db2.gz MRMIDGGRVMKRLY-UHFFFAOYSA-N 0 0 217.150 2.132 10 0 BEAERN COc1cc(N)c(O)cc1C(F)(F)F ZINC000214777512 350001056 /nfs/dbraw/zinc/00/10/56/350001056.db2.gz GQIRLHSYYSWLKR-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CCc1noc2[nH]c(C3CC3)cc(=O)c12 ZINC000669384063 538012781 /nfs/dbraw/zinc/01/27/81/538012781.db2.gz NBEITAKZJYOUFI-UHFFFAOYSA-N 0 0 204.229 2.368 10 0 BEAERN C[C@H]1CN(c2cccc(Cl)n2)[C@@H](C)CO1 ZINC000216462041 350000854 /nfs/dbraw/zinc/00/08/54/350000854.db2.gz XECYXSPRODMQQM-IUCAKERBSA-N 0 0 226.707 2.349 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)Cc1ccsc1 ZINC000669383928 538014079 /nfs/dbraw/zinc/01/40/79/538014079.db2.gz YEOPTBGUOZNHFJ-NXEZZACHSA-N 0 0 246.715 2.188 10 0 BEAERN C[C@H]1CC(CNc2ncccn2)C[C@H](C)O1 ZINC000281891674 187404232 /nfs/dbraw/zinc/40/42/32/187404232.db2.gz OYQRPVCFLMHZSJ-UWVGGRQHSA-N 0 0 221.304 2.092 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)Cc1ccsc1 ZINC000669383930 538014190 /nfs/dbraw/zinc/01/41/90/538014190.db2.gz YEOPTBGUOZNHFJ-VHSXEESVSA-N 0 0 246.715 2.188 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]1(C)Cc1cccs1 ZINC000669384372 538015695 /nfs/dbraw/zinc/01/56/95/538015695.db2.gz URSYDSLBXGWSQD-NWDGAFQWSA-N 0 0 240.324 2.401 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCC21CCCCC1 ZINC000669384444 538015611 /nfs/dbraw/zinc/01/56/11/538015611.db2.gz WALRWHBWTGMGKK-CABZTGNLSA-N 0 0 210.273 2.041 10 0 BEAERN COC(=O)[C@@H](CC(=O)C(C)(C)C)C(=O)C(C)C ZINC000725248330 538016898 /nfs/dbraw/zinc/01/68/98/538016898.db2.gz RHIOPKKEHOVYDA-VIFPVBQESA-N 0 0 242.315 2.006 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CC(C)(C)CC[C@@H]2C ZINC000669384520 538017470 /nfs/dbraw/zinc/01/74/70/538017470.db2.gz XLRCGTLCJIOKNN-HOTUBEGUSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CCC21CCCC1 ZINC000669384604 538016427 /nfs/dbraw/zinc/01/64/27/538016427.db2.gz YRGXWKKNHGFUBX-GHMZBOCLSA-N 0 0 230.691 2.218 10 0 BEAERN CCc1cc(=O)c2c([nH]1)onc2C1CC1 ZINC000669384548 538016543 /nfs/dbraw/zinc/01/65/43/538016543.db2.gz XWMNSMJLLWGJLJ-UHFFFAOYSA-N 0 0 204.229 2.368 10 0 BEAERN CCOC(=O)[C@H]1O[C@]12CCC21CCCCC1 ZINC000669384590 538016680 /nfs/dbraw/zinc/01/66/80/538016680.db2.gz YLBSDUYLPDJJRQ-ZWNOBZJWSA-N 0 0 224.300 2.431 10 0 BEAERN C[C@H]1CCCC[C@@H]1n1ccc(=O)c(N)c1 ZINC000725249269 538019320 /nfs/dbraw/zinc/01/93/20/538019320.db2.gz UDSZVWQJTCNVGM-ONGXEEELSA-N 0 0 206.289 2.182 10 0 BEAERN CC[C@H](C)[C@@H](C)n1c(C)c(N)ccc1=O ZINC000725249285 538020260 /nfs/dbraw/zinc/02/02/60/538020260.db2.gz ZRFUTHMRUNEKGM-DTWKUNHWSA-N 0 0 208.305 2.346 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(N)cc2s1 ZINC000019257064 187417603 /nfs/dbraw/zinc/41/76/03/187417603.db2.gz LZHIWWGLZYCJTB-SVRRBLITSA-N 0 0 247.323 2.473 10 0 BEAERN CC(=O)CC(=O)N(C)[C@H](C)c1ccccc1F ZINC000037839268 187424971 /nfs/dbraw/zinc/42/49/71/187424971.db2.gz NVHZDOAZGAYGRR-SNVBAGLBSA-N 0 0 237.274 2.324 10 0 BEAERN CC1(CCCn2cc(N)ccc2=O)CC1 ZINC000725250038 538023492 /nfs/dbraw/zinc/02/34/92/538023492.db2.gz UQAVEJPKXNOXDA-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)cc1C=O ZINC000616577133 349106907 /nfs/dbraw/zinc/10/69/07/349106907.db2.gz UZFHFCJWXAAFAC-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN O=Cc1ccc(-c2cccnn2)cc1F ZINC000616574611 349080574 /nfs/dbraw/zinc/08/05/74/349080574.db2.gz ORSVVNQSTWUUJL-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN C[C@@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)C(C)(C)C ZINC000246013907 349092955 /nfs/dbraw/zinc/09/29/55/349092955.db2.gz UDPWVMBUSDNEGL-GMTAPVOTSA-N 0 0 242.363 2.240 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N(C)C)cc1F ZINC000130110756 490224012 /nfs/dbraw/zinc/22/40/12/490224012.db2.gz OMJSCEGFHCPGMJ-VIFPVBQESA-N 0 0 224.279 2.466 10 0 BEAERN CCOc1cccc(C(N)=O)c1OC(F)(F)F ZINC000616575834 349094715 /nfs/dbraw/zinc/09/47/15/349094715.db2.gz GXWLDOAHCJBXJW-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COC(=O)c1ccc(C=O)cc1OC(F)(F)F ZINC000616575902 349094845 /nfs/dbraw/zinc/09/48/45/349094845.db2.gz JPWGSXMJJWMZNZ-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN CC(=O)c1c(N)cccc1OC(F)(F)F ZINC000616576423 349101591 /nfs/dbraw/zinc/10/15/91/349101591.db2.gz SPAGLMPLWJYECN-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN CC(C)(F)Cn1cc2ccc(N)cc2n1 ZINC000725250097 538024901 /nfs/dbraw/zinc/02/49/01/538024901.db2.gz YDHXHKNVKPWHGS-UHFFFAOYSA-N 0 0 207.252 2.367 10 0 BEAERN Cc1cccc(Oc2ncc(N)cn2)c1C ZINC000040455930 187428792 /nfs/dbraw/zinc/42/87/92/187428792.db2.gz LAHYRPPFXICAPD-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN O=c1[nH]c2cc(F)cc(Br)c2o1 ZINC000041568938 187429139 /nfs/dbraw/zinc/42/91/39/187429139.db2.gz RSYMGQRZGMFZGE-UHFFFAOYSA-N 0 0 232.008 2.435 10 0 BEAERN CCOc1cc(OC(F)(F)F)ccc1CO ZINC000616577203 349120683 /nfs/dbraw/zinc/12/06/83/349120683.db2.gz XPZOTALCTSFFSG-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN Cc1ccn(CCCOc2ccc(C=O)cc2)n1 ZINC000616578278 349123691 /nfs/dbraw/zinc/12/36/91/349123691.db2.gz KQUUMPGITQENQN-UHFFFAOYSA-N 0 0 244.294 2.473 10 0 BEAERN C[C@]1(C(=O)[O-])CC[N@@H+](C2CCCCC2)C1 ZINC000062936060 349125254 /nfs/dbraw/zinc/12/52/54/349125254.db2.gz UGWUYXJYZCXHSE-LBPRGKRZSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H](Cn1ncc(N)n1)C1CCCCC1 ZINC000725250577 538026818 /nfs/dbraw/zinc/02/68/18/538026818.db2.gz LYMWFZNWNCTYJH-VIFPVBQESA-N 0 0 208.309 2.077 10 0 BEAERN Cc1csc(NC[C@@H]2CCCCO2)n1 ZINC000042822824 179788427 /nfs/dbraw/zinc/78/84/27/179788427.db2.gz DUSTWEHTFDQAQL-VIFPVBQESA-N 0 0 212.318 2.433 10 0 BEAERN COc1cc2c(cc1OC)[C@@H](C)CC(=O)C2 ZINC000199396645 349213654 /nfs/dbraw/zinc/21/36/54/349213654.db2.gz NHRZZQJPACNMBB-QMMMGPOBSA-N 0 0 220.268 2.323 10 0 BEAERN O=Cc1cccc(OCCCn2cccn2)c1 ZINC000616580008 349231111 /nfs/dbraw/zinc/23/11/11/349231111.db2.gz SPEDDYCJQQRHAE-UHFFFAOYSA-N 0 0 230.267 2.165 10 0 BEAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000252589793 349200883 /nfs/dbraw/zinc/20/08/83/349200883.db2.gz CEKLZWZHAAEGEI-RTXFEEFZSA-N 0 0 245.322 2.121 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)c1cccc(N)c1C ZINC000036733435 179828886 /nfs/dbraw/zinc/82/88/86/179828886.db2.gz MGMIBJVEBDFMGK-UHFFFAOYSA-N 0 0 244.298 2.169 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)c1ccc(F)c(N)c1 ZINC000036733428 179829235 /nfs/dbraw/zinc/82/92/35/179829235.db2.gz XZIHQAOOOAPYIK-UHFFFAOYSA-N 0 0 248.261 2.000 10 0 BEAERN Cc1n[nH]c(C)c1NCc1cccc(O)c1 ZINC000036734766 179829438 /nfs/dbraw/zinc/82/94/38/179829438.db2.gz FUZXWSQEEMIQBK-UHFFFAOYSA-N 0 0 217.272 2.344 10 0 BEAERN CCc1ccc(OC(F)(F)F)c(C(N)=O)c1 ZINC000616580305 349256621 /nfs/dbraw/zinc/25/66/21/349256621.db2.gz XOLTZRBXLABVDD-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN O=Cc1cccc(OC(F)(F)F)c1C=O ZINC000616580329 349256668 /nfs/dbraw/zinc/25/66/68/349256668.db2.gz YNMRSIDBPCBPNW-UHFFFAOYSA-N 0 0 218.130 2.210 10 0 BEAERN Cc1n[nH]cc1-c1nc2cc(N)ccc2o1 ZINC000070630649 179841379 /nfs/dbraw/zinc/84/13/79/179841379.db2.gz GGPJPYQOBPNJLF-UHFFFAOYSA-N 0 0 214.228 2.109 10 0 BEAERN Cc1n[nH]cc1C(=O)N1CCCC12CCCC2 ZINC000365554928 179842935 /nfs/dbraw/zinc/84/29/35/179842935.db2.gz FBTJBFKKHBQVHN-UHFFFAOYSA-N 0 0 233.315 2.267 10 0 BEAERN CC(=O)N1C[C@@H](c2ccno2)Nc2ccccc21 ZINC000616584381 349336984 /nfs/dbraw/zinc/33/69/84/349336984.db2.gz QLTKSINXIADBTC-NSHDSACASA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)(C)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000616584636 349358640 /nfs/dbraw/zinc/35/86/40/349358640.db2.gz BZAFAHADMNTZSZ-LLVKDONJSA-N 0 0 232.327 2.264 10 0 BEAERN Cc1nc(C(C)(C)C)sc1C(N)=S ZINC000082420614 179893329 /nfs/dbraw/zinc/89/33/29/179893329.db2.gz IZCJAJIHQAGFIM-UHFFFAOYSA-N 0 0 214.359 2.383 10 0 BEAERN COc1cc(N[C@@H](C)CC(C)C)nn1C ZINC000300787978 349322122 /nfs/dbraw/zinc/32/21/22/349322122.db2.gz YIYZIJPKCRMCDS-VIFPVBQESA-N 0 0 211.309 2.275 10 0 BEAERN CC1(C)CC(=O)N(c2ccc(O)cc2)C(=O)C1 ZINC000061824906 349406096 /nfs/dbraw/zinc/40/60/96/349406096.db2.gz UZNRKIOPBZGLFI-UHFFFAOYSA-N 0 0 233.267 2.072 10 0 BEAERN COc1ncccc1[C@@H](O)c1ccccc1 ZINC000061445544 349368302 /nfs/dbraw/zinc/36/83/02/349368302.db2.gz YATCYESADUSWHR-LBPRGKRZSA-N 0 0 215.252 2.172 10 0 BEAERN CCCC1C(=O)C(=O)N[C@H]1c1ccccc1 ZINC000196515176 168603367 /nfs/dbraw/zinc/60/33/67/168603367.db2.gz PIIOPDOVJPFWEA-NSHDSACASA-N 0 0 217.268 2.470 10 0 BEAERN CC(C)(C)N1C[C@@H](CO)Nc2ccccc21 ZINC000616586142 349376632 /nfs/dbraw/zinc/37/66/32/349376632.db2.gz ZYZTZSUQMJEOST-JTQLQIEISA-N 0 0 220.316 2.078 10 0 BEAERN O=C([O-])[C@@H]1CC[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C1 ZINC000725254242 538044133 /nfs/dbraw/zinc/04/41/33/538044133.db2.gz YPYWCWPJUGJLMB-HZSPNIEDSA-N 0 0 245.322 2.339 10 0 BEAERN CC(=O)N1CC[C@@H](c2cn[nH]c2)c2ccccc21 ZINC000616587219 349423242 /nfs/dbraw/zinc/42/32/42/349423242.db2.gz OTOJXYGGLWUWCY-LBPRGKRZSA-N 0 0 241.294 2.298 10 0 BEAERN CC(C)Cc1cncc(Br)n1 ZINC000044120433 190996586 /nfs/dbraw/zinc/99/65/86/190996586.db2.gz JAKOZSULYIPENC-UHFFFAOYSA-N 0 0 215.094 2.438 10 0 BEAERN COC(C)(C)c1cc2cc(N)cnc2[nH]1 ZINC000725254270 538045725 /nfs/dbraw/zinc/04/57/25/538045725.db2.gz MCXDZAPBHVWUGN-UHFFFAOYSA-N 0 0 205.261 2.027 10 0 BEAERN CCCc1noc(-c2ccccc2O)n1 ZINC000022120025 350083573 /nfs/dbraw/zinc/08/35/73/350083573.db2.gz DSOGUKOJNIFGCD-UHFFFAOYSA-N 0 0 204.229 2.395 10 0 BEAERN C=CCSc1nc(Cl)nc(Cl)n1 ZINC000002013273 350079901 /nfs/dbraw/zinc/07/99/01/350079901.db2.gz CAPAPJNZARLSQM-UHFFFAOYSA-N 0 0 222.100 2.457 10 0 BEAERN CC[C@H](C)c1c(N)n(C2CC2)nc1C(=O)OC ZINC000725254416 538047028 /nfs/dbraw/zinc/04/70/28/538047028.db2.gz PDVFLNJQXSTKNT-ZETCQYMHSA-N 0 0 237.303 2.100 10 0 BEAERN F/C(=C/I)C(F)F ZINC000217528147 350060295 /nfs/dbraw/zinc/06/02/95/350060295.db2.gz NPIYAKOYXRAKAR-OWOJBTEDSA-N 0 0 221.947 2.497 10 0 BEAERN CCc1ccc(C(=O)c2cccnc2)o1 ZINC000051726151 350070448 /nfs/dbraw/zinc/07/04/48/350070448.db2.gz AIMJLIUWURSGHF-UHFFFAOYSA-N 0 0 201.225 2.468 10 0 BEAERN Cc1nc2c3ccccc3[nH]c2c(N(C)C)n1 ZINC000003158912 179995757 /nfs/dbraw/zinc/99/57/57/179995757.db2.gz IHSTWYAGMIFJQF-UHFFFAOYSA-N 0 0 226.283 2.486 10 0 BEAERN Cc1nc(N)sc1SCc1cnn(C)c1 ZINC000020254138 180000565 /nfs/dbraw/zinc/00/05/65/180000565.db2.gz LEBZQHBORUNHCR-UHFFFAOYSA-N 0 0 240.357 2.060 10 0 BEAERN CC1CCN(C(=O)NCc2cscn2)CC1 ZINC000051749079 350087739 /nfs/dbraw/zinc/08/77/39/350087739.db2.gz JEIUJGONISNNGO-UHFFFAOYSA-N 0 0 239.344 2.085 10 0 BEAERN Cc1nc(N)sc1S[C@@H]1CCC[C@@H]1O ZINC000037690545 180001528 /nfs/dbraw/zinc/00/15/28/180001528.db2.gz PWAYKKZQHNMLKR-NKWVEPMBSA-N 0 0 230.358 2.039 10 0 BEAERN Cc1nc(NC(=O)Cc2ccc[nH]2)sc1C ZINC000074701384 180008100 /nfs/dbraw/zinc/00/81/00/180008100.db2.gz RAXVUFJTTRLHGP-UHFFFAOYSA-N 0 0 235.312 2.269 10 0 BEAERN Cc1c[nH]nc1CN[C@H](C)c1csc(C)n1 ZINC000309781795 180036757 /nfs/dbraw/zinc/03/67/57/180036757.db2.gz NAVPSTZYHXQCRX-MRVPVSSYSA-N 0 0 236.344 2.334 10 0 BEAERN Cc1nc([C@@H](C)NCc2cn[nH]c2)cs1 ZINC000038006217 180037436 /nfs/dbraw/zinc/03/74/36/180037436.db2.gz IEDQGBGOLADVPR-SSDOTTSWSA-N 0 0 222.317 2.025 10 0 BEAERN Cc1nc([C@@H](N)c2c(F)cccc2Cl)no1 ZINC000036762497 180039784 /nfs/dbraw/zinc/03/97/84/180039784.db2.gz BJXJXAOQRLYKDD-VIFPVBQESA-N 0 0 241.653 2.219 10 0 BEAERN Cc1nc2c(F)cc(Br)cn2c1N ZINC000299888954 180066951 /nfs/dbraw/zinc/06/69/51/180066951.db2.gz BBIARUDLXCUTFQ-UHFFFAOYSA-N 0 0 244.067 2.127 10 0 BEAERN Cc1nc([C@@H]2CCOC2)c2c(Cl)nccn12 ZINC000033359181 180044909 /nfs/dbraw/zinc/04/49/09/180044909.db2.gz JQTDOTZXEILMJS-MRVPVSSYSA-N 0 0 237.690 2.195 10 0 BEAERN Cc1nc([C@@]2(N)CCCCc3ccccc32)no1 ZINC000036762478 180047970 /nfs/dbraw/zinc/04/79/70/180047970.db2.gz CMEAQXNKWJZMKA-CQSZACIVSA-N 0 0 243.310 2.307 10 0 BEAERN Cc1nc([C@H](N)c2cccnc2)sc1C ZINC000019929971 180055920 /nfs/dbraw/zinc/05/59/20/180055920.db2.gz TUSRSEWRNXAPEW-SNVBAGLBSA-N 0 0 219.313 2.203 10 0 BEAERN S=c1nc2cc[nH]c(Br)c-2o1 ZINC000089211751 191020771 /nfs/dbraw/zinc/02/07/71/191020771.db2.gz ZBGMYMKNJOXSRN-UHFFFAOYSA-N 0 0 231.074 2.274 10 0 BEAERN CC(C)C[S@@](=O)c1nc2ncccc2s1 ZINC000089229428 191021172 /nfs/dbraw/zinc/02/11/72/191021172.db2.gz BGQIKOJZVUEBEM-HNNXBMFYSA-N 0 0 240.353 2.455 10 0 BEAERN CSC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000304236319 350146282 /nfs/dbraw/zinc/14/62/82/350146282.db2.gz VUZXBWCFGMZUEP-JGPRNRPPSA-N 0 0 239.384 2.387 10 0 BEAERN C[C@@H]1CC(O)=C(C(=O)C(F)(F)F)[C@@H](C)C1 ZINC000219616873 350133268 /nfs/dbraw/zinc/13/32/68/350133268.db2.gz SYQFDNMMRKJQBS-VMHSAVOQSA-N 0 0 222.206 2.369 10 0 BEAERN Cc1nc2ccnn2c(N)c1-c1cccc(F)c1 ZINC000090558565 180106593 /nfs/dbraw/zinc/10/65/93/180106593.db2.gz VYJXWDFKEJHZLC-UHFFFAOYSA-N 0 0 242.257 2.426 10 0 BEAERN Cc1nc2ccnn2c(N)c1-c1ccc(F)cc1 ZINC000090558185 180107847 /nfs/dbraw/zinc/10/78/47/180107847.db2.gz JOYQSANHJHUJCS-UHFFFAOYSA-N 0 0 242.257 2.426 10 0 BEAERN Cc1ccc(CN[C@@H]2CCCn3nc(C)nc32)o1 ZINC000083475803 180110591 /nfs/dbraw/zinc/11/05/91/180110591.db2.gz ZRFQVGACBRKXBD-GFCCVEGCSA-N 0 0 246.314 2.113 10 0 BEAERN O=C1NCCC/C1=C\c1ccc(F)cc1 ZINC000036456370 350173421 /nfs/dbraw/zinc/17/34/21/350173421.db2.gz BLKNAAHKUZGRNB-CSKARUKUSA-N 0 0 205.232 2.119 10 0 BEAERN COC(=O)c1ccc(O[C@@H]2CCCCO2)cc1 ZINC000036421454 350173611 /nfs/dbraw/zinc/17/36/11/350173611.db2.gz KDMICHPWNLJREW-GFCCVEGCSA-N 0 0 236.267 2.379 10 0 BEAERN Cc1nc2occc2nc1Br ZINC000082372149 180115320 /nfs/dbraw/zinc/11/53/20/180115320.db2.gz UTICCNWKWQZTSL-UHFFFAOYSA-N 0 0 213.034 2.294 10 0 BEAERN Cc1nc[nH]c1CNc1ccc2cn[nH]c2c1 ZINC000054796182 180121743 /nfs/dbraw/zinc/12/17/43/180121743.db2.gz UYBNSDVLENFMDG-UHFFFAOYSA-N 0 0 227.271 2.207 10 0 BEAERN CCCc1cc(=O)[nH]nc1-c1ccccc1 ZINC000034348582 350169005 /nfs/dbraw/zinc/16/90/05/350169005.db2.gz SZXZOFDPRBSZKI-UHFFFAOYSA-N 0 0 214.268 2.389 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@H](C)CC(C)C ZINC000038095104 180164198 /nfs/dbraw/zinc/16/41/98/180164198.db2.gz VTKSSSIDAXTHSD-SECBINFHSA-N 0 0 235.331 2.137 10 0 BEAERN Cc1ncc(N)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000038094892 180164659 /nfs/dbraw/zinc/16/46/59/180164659.db2.gz VRHCMGJVYGSIQV-AOOOYVTPSA-N 0 0 247.342 2.375 10 0 BEAERN Cn1nccc1-c1ccn(-c2ccccc2F)n1 ZINC000725257774 538068541 /nfs/dbraw/zinc/06/85/41/538068541.db2.gz WDKXABJAFAHRKA-UHFFFAOYSA-N 0 0 242.257 2.412 10 0 BEAERN Cc1nc([C@@H](C)NCc2ccnc(C)n2)cs1 ZINC000038037657 180191165 /nfs/dbraw/zinc/19/11/65/180191165.db2.gz ZFPQNERPYMKKED-MRVPVSSYSA-N 0 0 248.355 2.401 10 0 BEAERN Cc1nccc(N[C@@H](C)c2ccncc2)n1 ZINC000054935832 180203271 /nfs/dbraw/zinc/20/32/71/180203271.db2.gz SBRMUELXFWDAEJ-VIFPVBQESA-N 0 0 214.272 2.353 10 0 BEAERN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@@H]2C)s1 ZINC000124622923 490383430 /nfs/dbraw/zinc/38/34/30/490383430.db2.gz PJZCETQAGJCAFA-WCBMZHEXSA-N 0 0 238.356 2.108 10 0 BEAERN Cc1ccnc(Sc2ccnc(Cl)n2)n1 ZINC000051850560 350228005 /nfs/dbraw/zinc/22/80/05/350228005.db2.gz HORYWYLONSYTFP-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN CC(C)c1ccnc(Br)n1 ZINC000072204604 187442111 /nfs/dbraw/zinc/44/21/11/187442111.db2.gz FHNZBRIMNNSRKI-UHFFFAOYSA-N 0 0 201.067 2.363 10 0 BEAERN C[C@H]1CC[C@@H](O)CCN1C(=O)OC(C)(C)C ZINC000222931406 350256507 /nfs/dbraw/zinc/25/65/07/350256507.db2.gz LOOUDFIZGQFPMA-VHSXEESVSA-N 0 0 229.320 2.157 10 0 BEAERN COc1cccc([C@@]2(CO)C[C@@H](F)C2)c1 ZINC000725259725 538081091 /nfs/dbraw/zinc/08/10/91/538081091.db2.gz IJTOKHUGLZYMGA-KLPPZKSPSA-N 0 0 210.248 2.057 10 0 BEAERN C[C@@H]1CC(C(C)(C)S(N)(=O)=O)C[C@@H](C)C1 ZINC000725261440 538087012 /nfs/dbraw/zinc/08/70/12/538087012.db2.gz NRAMMEBMWLITOW-IUCAKERBSA-N 0 0 233.377 2.126 10 0 BEAERN Cc1nccn1Cc1cc(N)ccc1Cl ZINC000037403112 180267635 /nfs/dbraw/zinc/26/76/35/180267635.db2.gz IKBAWVLBALLHNN-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CN(CC(F)(F)F)[C@H]1CCCCCC1=O ZINC000037664122 350286219 /nfs/dbraw/zinc/28/62/19/350286219.db2.gz ZHOXUUORXMQHMV-QMMMGPOBSA-N 0 0 223.238 2.382 10 0 BEAERN Cc1nccn1[C@H](C)c1ccc(N)cc1 ZINC000040908947 180270979 /nfs/dbraw/zinc/27/09/79/180270979.db2.gz ZNJMURXEMQSALD-SECBINFHSA-N 0 0 201.273 2.383 10 0 BEAERN Cc1ncn([C@@H]2Cc3ccccc3[C@@H]2O)c1C ZINC000051927893 180288578 /nfs/dbraw/zinc/28/85/78/180288578.db2.gz YXPXYDNEAZVGAM-KGLIPLIRSA-N 0 0 228.295 2.331 10 0 BEAERN C[C@@H](CO)Nc1ccccc1Br ZINC000038117783 350307084 /nfs/dbraw/zinc/30/70/84/350307084.db2.gz XSHMWORSKWSHOU-ZETCQYMHSA-N 0 0 230.105 2.242 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2ccccn2)o1 ZINC000023305494 350323949 /nfs/dbraw/zinc/32/39/49/350323949.db2.gz WBQWYGAIPKPFHU-JTQLQIEISA-N 0 0 230.267 2.474 10 0 BEAERN Cc1ncn(-c2c(F)cc(CO)cc2F)c1C ZINC000062722498 180285926 /nfs/dbraw/zinc/28/59/26/180285926.db2.gz NZRLESKOLKCETM-UHFFFAOYSA-N 0 0 238.237 2.260 10 0 BEAERN Cc1ncn(-c2ccc(N)cc2F)c1C ZINC000051925492 180286463 /nfs/dbraw/zinc/28/64/63/180286463.db2.gz PCLVDOMNKDSOGH-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN Cc1ncsc1CN(C)C(=O)N[C@H]1C[C@H]1C ZINC000171760883 180314026 /nfs/dbraw/zinc/31/40/26/180314026.db2.gz HRULCJCWEWOQFN-APPZFPTMSA-N 0 0 239.344 2.001 10 0 BEAERN CCOC(=O)COc1ccc(Cl)c(C=O)c1 ZINC000309376162 350360343 /nfs/dbraw/zinc/36/03/43/350360343.db2.gz VGTPTGXOISPLIS-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN COC(C)(C)c1nc(Br)ns1 ZINC000230992960 350363591 /nfs/dbraw/zinc/36/35/91/350363591.db2.gz KMXPYHZHJYYIEA-UHFFFAOYSA-N 0 0 237.122 2.182 10 0 BEAERN Cc1ncsc1CCOCCCC(N)=S ZINC000019518040 180311000 /nfs/dbraw/zinc/31/10/00/180311000.db2.gz UZTTYQFNJRCICU-UHFFFAOYSA-N 0 0 244.385 2.077 10 0 BEAERN Cc1nn(-c2ccc(Cl)cn2)c(C)c1N ZINC000040516491 180328320 /nfs/dbraw/zinc/32/83/20/180328320.db2.gz GUEMFXJTDVCQLY-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cc1nn(-c2ccc(Cl)nn2)c2c1CCC2 ZINC000033268234 180328659 /nfs/dbraw/zinc/32/86/59/180328659.db2.gz SUZPHZOTOBGKKA-UHFFFAOYSA-N 0 0 234.690 2.113 10 0 BEAERN Cc1nn(-c2ccc(F)cc2F)c(N)c1C ZINC000045628343 180329160 /nfs/dbraw/zinc/32/91/60/180329160.db2.gz OOMUXQGNADKZJV-UHFFFAOYSA-N 0 0 223.226 2.350 10 0 BEAERN Cc1nn(-c2ccccc2)c2[nH]c(=O)ccc12 ZINC000097694428 180330819 /nfs/dbraw/zinc/33/08/19/180330819.db2.gz TUYAYQBOHKLCRD-UHFFFAOYSA-N 0 0 225.251 2.022 10 0 BEAERN Cc1nn(C(=O)OC(C)(C)C)c2ncc(O)cc12 ZINC000089224481 180331542 /nfs/dbraw/zinc/33/15/42/180331542.db2.gz JDQKQAHQDBQHRC-UHFFFAOYSA-N 0 0 249.270 2.229 10 0 BEAERN Oc1cc2[nH]nc(Br)c2c(F)c1 ZINC000014984149 350439473 /nfs/dbraw/zinc/43/94/73/350439473.db2.gz HOMMKCUXFILTBH-UHFFFAOYSA-N 0 0 231.024 2.170 10 0 BEAERN CC(=O)c1cnc2ccc(Br)cn12 ZINC000082328927 187447529 /nfs/dbraw/zinc/44/75/29/187447529.db2.gz DDVXKYXTMIQMPV-UHFFFAOYSA-N 0 0 239.072 2.299 10 0 BEAERN Cc1nn(C)c(C)c1[C@H](O)c1ccc(F)cc1 ZINC000075871970 180349470 /nfs/dbraw/zinc/34/94/70/180349470.db2.gz LWYZPUZLXDOIKC-CYBMUJFWSA-N 0 0 234.274 2.258 10 0 BEAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(C)C ZINC000105848766 180350071 /nfs/dbraw/zinc/35/00/71/180350071.db2.gz XTWOGQOCUZWXLV-GFCCVEGCSA-N 0 0 249.358 2.356 10 0 BEAERN Cc1nn(C)c(N2c3ccccc3C[C@H]2C)c1N ZINC000036748946 180356209 /nfs/dbraw/zinc/35/62/09/180356209.db2.gz HVCMXMBIZIZEKX-SECBINFHSA-N 0 0 242.326 2.393 10 0 BEAERN Cc1nn(C)c(NCCc2ccc(F)cc2)c1N ZINC000036749040 180358108 /nfs/dbraw/zinc/35/81/08/180358108.db2.gz FKNBUKYNKQYZRY-UHFFFAOYSA-N 0 0 248.305 2.104 10 0 BEAERN Cc1nn(C)c(N[C@H](C)CC(C)C)c1N ZINC000036749336 180359568 /nfs/dbraw/zinc/35/95/68/180359568.db2.gz MTRKJESCJAYMIY-MRVPVSSYSA-N 0 0 210.325 2.157 10 0 BEAERN Cc1nn(C)c(O[C@@H]2CCC[C@@H](C)C2)c1N ZINC000036749586 180359937 /nfs/dbraw/zinc/35/99/37/180359937.db2.gz HUEJBKAOUMXAAZ-PSASIEDQSA-N 0 0 223.320 2.268 10 0 BEAERN Cc1nn(C)c(OC2CCCCC2)c1N ZINC000036749446 180360802 /nfs/dbraw/zinc/36/08/02/180360802.db2.gz FOMGQJBYSBVACU-UHFFFAOYSA-N 0 0 209.293 2.022 10 0 BEAERN Cc1nn(C)c2c1[C@H](O)C[C@H](c1ccccc1)C2 ZINC000072415947 180361599 /nfs/dbraw/zinc/36/15/99/180361599.db2.gz YFCQUNMUPSGZLO-TZMCWYRMSA-N 0 0 242.322 2.492 10 0 BEAERN Cc1nn(C)c(Oc2ccc(F)cc2)c1N ZINC000036749490 180362168 /nfs/dbraw/zinc/36/21/68/180362168.db2.gz VTAWHPFQKOCRQK-UHFFFAOYSA-N 0 0 221.235 2.242 10 0 BEAERN CC(=O)c1cccc(-c2n[nH]c3c2COCC3)c1 ZINC000725265411 538092917 /nfs/dbraw/zinc/09/29/17/538092917.db2.gz AEAXNCLQPTYPSK-UHFFFAOYSA-N 0 0 242.278 2.352 10 0 BEAERN Cc1nn(C)c2sc(C(=O)N[C@@H]3C[C@@H]3C)cc12 ZINC000075520758 180364591 /nfs/dbraw/zinc/36/45/91/180364591.db2.gz WCUPRGXWNIHNIP-IMTBSYHQSA-N 0 0 249.339 2.081 10 0 BEAERN Cc1nn(C)c2sc(C(=O)N[C@H]3C[C@@H]3C)cc12 ZINC000075520760 180365557 /nfs/dbraw/zinc/36/55/57/180365557.db2.gz WCUPRGXWNIHNIP-RCOVLWMOSA-N 0 0 249.339 2.081 10 0 BEAERN Cc1nn(C)cc1-c1nn(C(C)(C)C)cc1C=O ZINC000037735022 180365654 /nfs/dbraw/zinc/36/56/54/180365654.db2.gz JJAOTNHOQUAHIG-UHFFFAOYSA-N 0 0 246.314 2.160 10 0 BEAERN CC(C)(C)CN1C(=S)N=NC1c1cncnc1 ZINC000725265514 538092665 /nfs/dbraw/zinc/09/26/65/538092665.db2.gz CTFATSYXCBDMHZ-UHFFFAOYSA-N 0 0 249.343 2.070 10 0 BEAERN CC(C)(C)CN1C(=S)N=NC1c1ccnnc1 ZINC000725265531 538093135 /nfs/dbraw/zinc/09/31/35/538093135.db2.gz KIVAXNUXKORFLR-UHFFFAOYSA-N 0 0 249.343 2.070 10 0 BEAERN O=c1[nH]c(=S)cc(-c2ccccc2)[nH]1 ZINC000409437412 350481345 /nfs/dbraw/zinc/48/13/45/350481345.db2.gz GJOUCXHKMRGRKK-UHFFFAOYSA-N 0 0 204.254 2.138 10 0 BEAERN OCc1c(-c2ccncc2)n[nH]c1C1CCC1 ZINC000409441909 350481997 /nfs/dbraw/zinc/48/19/97/350481997.db2.gz UWNHWTMRWZSMQO-UHFFFAOYSA-N 0 0 229.283 2.232 10 0 BEAERN Cc1nn([C@@H]2CCCCC[C@@H]2O)c(C)c1C=O ZINC000054600419 180392687 /nfs/dbraw/zinc/39/26/87/180392687.db2.gz UMNFBNDKTFGYLU-OLZOCXBDSA-N 0 0 236.315 2.179 10 0 BEAERN Cc1nn([C@H]2CCCCC[C@H]2O)c(C)c1C=O ZINC000054600422 180393072 /nfs/dbraw/zinc/39/30/72/180393072.db2.gz UMNFBNDKTFGYLU-QWHCGFSZSA-N 0 0 236.315 2.179 10 0 BEAERN Cc1nn([C@H](C)c2cccnc2)c(N)c1Cl ZINC000043667558 180393488 /nfs/dbraw/zinc/39/34/88/180393488.db2.gz KRDGPQGAPAMLDN-MRVPVSSYSA-N 0 0 236.706 2.431 10 0 BEAERN Cc1nnc(-c2cc(Cl)ccc2N)o1 ZINC000082533325 180394304 /nfs/dbraw/zinc/39/43/04/180394304.db2.gz OTJAOFLNZJPDNW-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN Cc1nn2c(C=O)c(C(C)C)nc2s1 ZINC000088611526 180394583 /nfs/dbraw/zinc/39/45/83/180394583.db2.gz RRDBIIHMSDDIGG-UHFFFAOYSA-N 0 0 209.274 2.035 10 0 BEAERN Cc1nn(CC(C)C)c(N)c1Br ZINC000020313783 180386567 /nfs/dbraw/zinc/38/65/67/180386567.db2.gz NHPWPNLHQPXOTD-UHFFFAOYSA-N 0 0 232.125 2.192 10 0 BEAERN Cc1cccc2c(=O)[nH]c(C3CC3)nc12 ZINC000060639254 350497721 /nfs/dbraw/zinc/49/77/21/350497721.db2.gz FKYOBVGVZASVLB-UHFFFAOYSA-N 0 0 200.241 2.109 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(O)c1 ZINC000227616667 350504067 /nfs/dbraw/zinc/50/40/67/350504067.db2.gz SAWUNOFQBBQQHS-SKDRFNHKSA-N 0 0 219.284 2.311 10 0 BEAERN S=C1N=NC([C@H]2CCCS2)N1C1CC1 ZINC000228206514 350533632 /nfs/dbraw/zinc/53/36/32/350533632.db2.gz PWNPPLZAICKGIW-SSDOTTSWSA-N 0 0 227.358 2.470 10 0 BEAERN CC(C)(C)N1C(=S)N=NC1CC1CC1 ZINC000228211166 350533844 /nfs/dbraw/zinc/53/38/44/350533844.db2.gz QFJJTEJDRJVEOI-UHFFFAOYSA-N 0 0 211.334 2.274 10 0 BEAERN CC[C@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000152229163 538095195 /nfs/dbraw/zinc/09/51/95/538095195.db2.gz ZMAWXYVHMBNPNW-QWRGUYRKSA-N 0 0 212.337 2.472 10 0 BEAERN CCc1ccc(CC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000163438888 350521685 /nfs/dbraw/zinc/52/16/85/350521685.db2.gz REMOODWFWZXLOX-GWCFXTLKSA-N 0 0 217.312 2.316 10 0 BEAERN Cc1ccc(C(=O)CSCCO)c(C)c1 ZINC000037352870 362966662 /nfs/dbraw/zinc/96/66/62/362966662.db2.gz QGUOFPNGFCBQID-UHFFFAOYSA-N 0 0 224.325 2.212 10 0 BEAERN CC[C@H](SCCO)C(=O)c1ccccc1 ZINC000037352898 362966714 /nfs/dbraw/zinc/96/67/14/362966714.db2.gz YNCXOEGVXRIENA-NSHDSACASA-N 0 0 224.325 2.373 10 0 BEAERN Cc1nnc(CSc2sc(N)nc2C)o1 ZINC000020254134 180417367 /nfs/dbraw/zinc/41/73/67/180417367.db2.gz LZTOUDNYOSKDOM-UHFFFAOYSA-N 0 0 242.329 2.017 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000128272301 490611589 /nfs/dbraw/zinc/61/15/89/490611589.db2.gz PMTZJYAHLOKUHZ-VXNVDRBHSA-N 0 0 217.259 2.337 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@H]1CCCC1(C)C ZINC000725266603 538095927 /nfs/dbraw/zinc/09/59/27/538095927.db2.gz UBGTXCYUIWFPMP-MRVPVSSYSA-N 0 0 237.303 2.275 10 0 BEAERN CCc1nn(CCCCF)c(CC)c1N ZINC000308822284 538096475 /nfs/dbraw/zinc/09/64/75/538096475.db2.gz QYJYZARPVGJJPN-UHFFFAOYSA-N 0 0 213.300 2.340 10 0 BEAERN COC(=O)c1ccc(Cl)c2[nH]c(=O)sc21 ZINC000096321305 350672539 /nfs/dbraw/zinc/67/25/39/350672539.db2.gz YKCJZEBKIMOFLA-UHFFFAOYSA-N 0 0 243.671 2.030 10 0 BEAERN c1c2ccccc2sc1Cc1nn[nH]n1 ZINC000095186834 350656659 /nfs/dbraw/zinc/65/66/59/350656659.db2.gz FZXHKACDEKZQPY-UHFFFAOYSA-N 0 0 216.269 2.005 10 0 BEAERN C/C=C\COc1nc(NC)ncc1Cl ZINC000308319232 350659381 /nfs/dbraw/zinc/65/93/81/350659381.db2.gz JFCFUCQSLAZEJR-ARJAWSKDSA-N 0 0 213.668 2.127 10 0 BEAERN CC1CCC(O)([C@H](O)C(C)(C)C)CC1 ZINC000232827895 350668522 /nfs/dbraw/zinc/66/85/22/350668522.db2.gz KHNRZCUESMLPTL-SQLBVSGCSA-N 0 0 200.322 2.335 10 0 BEAERN CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000114293220 187463417 /nfs/dbraw/zinc/46/34/17/187463417.db2.gz NJOJQRXLHVWJSA-SNVBAGLBSA-N 0 0 231.217 2.296 10 0 BEAERN CC(C)Cc1nsc(N[C@@H]2CCC[C@@H]2O)n1 ZINC000302325243 191119609 /nfs/dbraw/zinc/11/96/09/191119609.db2.gz XSYYIRCYKMMXQO-BDAKNGLRSA-N 0 0 241.360 2.062 10 0 BEAERN NNc1cc2ccccc2nc1[C@@H]1CCCOC1 ZINC000725267903 538098894 /nfs/dbraw/zinc/09/88/94/538098894.db2.gz BQWPSJJTPPKPIP-LLVKDONJSA-N 0 0 243.310 2.414 10 0 BEAERN Fc1cc(F)c(N[C@H]2CCSC2)nc1F ZINC000236178218 350731333 /nfs/dbraw/zinc/73/13/33/350731333.db2.gz KVNBGNQBIBMXDN-YFKPBYRVSA-N 0 0 234.246 2.416 10 0 BEAERN Cc1ccc(N)c(C(=O)OC2CCC2)c1 ZINC000050929080 187466397 /nfs/dbraw/zinc/46/63/97/187466397.db2.gz NSUZRBBBAVRSQX-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN NC(=O)c1sc(NCc2ccccc2)cc1N ZINC000236273206 350733019 /nfs/dbraw/zinc/73/30/19/350733019.db2.gz KCOBOXKHCJERST-UHFFFAOYSA-N 0 0 247.323 2.041 10 0 BEAERN ON[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000306674536 350824800 /nfs/dbraw/zinc/82/48/00/350824800.db2.gz QOSPYWWLASSFGZ-ZETCQYMHSA-N 0 0 209.142 2.408 10 0 BEAERN Nc1ccc(Br)c(N2CC=CC2)c1 ZINC000159495918 350768727 /nfs/dbraw/zinc/76/87/27/350768727.db2.gz UTNADLDHABOUPD-UHFFFAOYSA-N 0 0 239.116 2.408 10 0 BEAERN CC(C)[N@@H+]1CCOC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616601660 350786561 /nfs/dbraw/zinc/78/65/61/350786561.db2.gz OBTXTQAYCMIMND-CYBMUJFWSA-N 0 0 249.310 2.167 10 0 BEAERN O=C([O-])c1ccccc1[C@@H]1CCC[NH2+]CC1 ZINC000616602695 350787990 /nfs/dbraw/zinc/78/79/90/350787990.db2.gz PTLNNNKMUSDSSZ-SNVBAGLBSA-N 0 0 219.284 2.242 10 0 BEAERN COC(=O)N1CCCC[C@H](c2cccnc2)C1 ZINC000616602689 350788379 /nfs/dbraw/zinc/78/83/79/350788379.db2.gz NQICYGMTJIBIOR-LBPRGKRZSA-N 0 0 234.299 2.418 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cccnn2)C1 ZINC000616602127 350791150 /nfs/dbraw/zinc/79/11/50/350791150.db2.gz HAHIVJZESQSIPP-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CCN1CCO[C@H](c2ccccc2NC(C)=O)C1 ZINC000616602417 350791607 /nfs/dbraw/zinc/79/16/07/350791607.db2.gz JUSKAPYIWCRSHO-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN O=C([O-])c1cccc([C@H]2CCCC[NH2+]C2)c1 ZINC000616605621 350795026 /nfs/dbraw/zinc/79/50/26/350795026.db2.gz QXRJFUAWFXJNQX-LBPRGKRZSA-N 0 0 219.284 2.242 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616606728 350798033 /nfs/dbraw/zinc/79/80/33/350798033.db2.gz IZCGYURPFZBZOM-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@H]1c1cnno1 ZINC000616607937 350802227 /nfs/dbraw/zinc/80/22/27/350802227.db2.gz UNZCNWOELQLEEM-QMMMGPOBSA-N 0 0 239.275 2.142 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cccc2ncccc21 ZINC000616610900 350807019 /nfs/dbraw/zinc/80/70/19/350807019.db2.gz ZGDWWCJFDZNYDP-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616610153 350808484 /nfs/dbraw/zinc/80/84/84/350808484.db2.gz OCGXKMCOJXELMI-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616611497 350809237 /nfs/dbraw/zinc/80/92/37/350809237.db2.gz FVASUJARQXPTFX-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616611373 350810728 /nfs/dbraw/zinc/81/07/28/350810728.db2.gz CYHNZVJKNQFYAW-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN NNc1cc2cccc(F)c2nc1[C@@H]1CCOC1 ZINC000725268087 538099567 /nfs/dbraw/zinc/09/95/67/538099567.db2.gz JCSZUGPTSQULIZ-SECBINFHSA-N 0 0 247.273 2.163 10 0 BEAERN CNc1cccc([C@H]2CCCCN2C(N)=O)c1 ZINC000616614300 350831182 /nfs/dbraw/zinc/83/11/82/350831182.db2.gz CLDDALSAAZGSMH-GFCCVEGCSA-N 0 0 233.315 2.334 10 0 BEAERN CO[C@H]1CCC[C@H]1Oc1cccnc1F ZINC000306678779 350833410 /nfs/dbraw/zinc/83/34/10/350833410.db2.gz HEKMHYAFTYJGPQ-DTWKUNHWSA-N 0 0 211.236 2.167 10 0 BEAERN C[C@@]1(c2nc(CCO)cs2)CCCS1 ZINC000306681408 350837899 /nfs/dbraw/zinc/83/78/99/350837899.db2.gz OAWFOYVOLHHDIB-JTQLQIEISA-N 0 0 229.370 2.420 10 0 BEAERN C=Cc1ccc(C[NH2+]CCCC(=O)[O-])cc1 ZINC000002572037 350846251 /nfs/dbraw/zinc/84/62/51/350846251.db2.gz DXZRVJFDVKEZPX-UHFFFAOYSA-N 0 0 219.284 2.284 10 0 BEAERN Cc1nnc(Cl)n1[C@H](C)C(F)(F)F ZINC000306697797 350847408 /nfs/dbraw/zinc/84/74/08/350847408.db2.gz GIXZVUKIYLFXRB-GSVOUGTGSA-N 0 0 213.590 2.363 10 0 BEAERN Cc1ccsc1[C@H](C)N1CCOCC1 ZINC000306698996 350848760 /nfs/dbraw/zinc/84/87/60/350848760.db2.gz DKGADPMVPOCKDR-JTQLQIEISA-N 0 0 211.330 2.450 10 0 BEAERN COc1nc([C@H]2CCC[C@H](O)C2)cs1 ZINC000306702947 350852593 /nfs/dbraw/zinc/85/25/93/350852593.db2.gz IHICHANVOCYYJL-YUMQZZPRSA-N 0 0 213.302 2.170 10 0 BEAERN COc1nc([C@@H]2CCC[C@H](O)C2)cs1 ZINC000306702946 350852779 /nfs/dbraw/zinc/85/27/79/350852779.db2.gz IHICHANVOCYYJL-SFYZADRCSA-N 0 0 213.302 2.170 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1ccccc1N ZINC000616616418 350855383 /nfs/dbraw/zinc/85/53/83/350855383.db2.gz NMDDVVSAPGWYDZ-ZDUSSCGKSA-N 0 0 218.300 2.342 10 0 BEAERN CC1(C)NC(=O)C[C@H]1[C@]1(C)CCCS1 ZINC000306708503 350856816 /nfs/dbraw/zinc/85/68/16/350856816.db2.gz OFJJXYSZSUYLTC-KCJUWKMLSA-N 0 0 213.346 2.187 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccno2)C1 ZINC000616616958 350858443 /nfs/dbraw/zinc/85/84/43/350858443.db2.gz BIIBJXFURDAVQZ-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN Cc1ccc(N)c(SC(C)(C)CO)c1 ZINC000306709680 350859390 /nfs/dbraw/zinc/85/93/90/350859390.db2.gz QDFHULFRJKPXSK-UHFFFAOYSA-N 0 0 211.330 2.440 10 0 BEAERN Cc1cnnc(N[C@@H](C)C(F)(F)F)c1 ZINC000306727932 350898881 /nfs/dbraw/zinc/89/88/81/350898881.db2.gz JNFGDQPOURUUHE-LURJTMIESA-N 0 0 205.183 2.148 10 0 BEAERN CC1(C)CC[C@H]1[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000306733220 350903316 /nfs/dbraw/zinc/90/33/16/350903316.db2.gz SRMGQRXFWSSQCG-VHSXEESVSA-N 0 0 211.305 2.114 10 0 BEAERN O[C@H](c1cnns1)c1ccsc1Cl ZINC000306737372 350907117 /nfs/dbraw/zinc/90/71/17/350907117.db2.gz YYLIUFIVOOVKAU-LURJTMIESA-N 0 0 232.717 2.335 10 0 BEAERN FC1(F)C[C@@H]1CNc1ncc(Cl)cn1 ZINC000306736795 350907968 /nfs/dbraw/zinc/90/79/68/350907968.db2.gz XUWWIDBZUMBXRF-RXMQYKEDSA-N 0 0 219.622 2.197 10 0 BEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@]1([NH3+])CC(=O)[O-] ZINC000252205567 350910422 /nfs/dbraw/zinc/91/04/22/350910422.db2.gz XCIRRFCUYNRPPS-SCVCMEIPSA-N 0 0 213.321 2.251 10 0 BEAERN COc1ccccc1[C@@H]1CCCN(C(C)=O)C1 ZINC000616620049 350931637 /nfs/dbraw/zinc/93/16/37/350931637.db2.gz MXPMBNBNVDNUNR-GFCCVEGCSA-N 0 0 233.311 2.421 10 0 BEAERN CCOC(=O)N1CCC[C@H](Nc2ccccn2)C1 ZINC000616617626 350871352 /nfs/dbraw/zinc/87/13/52/350871352.db2.gz YCSSECRUGFNZPZ-NSHDSACASA-N 0 0 249.314 2.114 10 0 BEAERN CC(C)(CO)Sc1ncc(F)cc1F ZINC000306712801 350874716 /nfs/dbraw/zinc/87/47/16/350874716.db2.gz UOOUQEMOEJGVSU-UHFFFAOYSA-N 0 0 219.256 2.223 10 0 BEAERN CCCNc1c(Br)c(C)nn1C ZINC000306715505 350877521 /nfs/dbraw/zinc/87/75/21/350877521.db2.gz ZNCYSUKSOPKFSZ-UHFFFAOYSA-N 0 0 232.125 2.313 10 0 BEAERN COc1cc(F)c(O)c(Br)c1 ZINC000215838620 350880252 /nfs/dbraw/zinc/88/02/52/350880252.db2.gz MPNHMVMNEBVFPW-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN CC(C)[N@H+](C)[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250532787 350882351 /nfs/dbraw/zinc/88/23/51/350882351.db2.gz XNYDSZGEYMVJQM-GHMZBOCLSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H]1SCC[C@H]1Nc1ccnc(Cl)n1 ZINC000306721689 350888436 /nfs/dbraw/zinc/88/84/36/350888436.db2.gz FCKWUZITQSBCBV-NKWVEPMBSA-N 0 0 229.736 2.436 10 0 BEAERN CC[C@@H]1CC[C@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000251511770 350897170 /nfs/dbraw/zinc/89/71/70/350897170.db2.gz FOJYQTKKAIZBTO-RNJXMRFFSA-N 0 0 223.238 2.490 10 0 BEAERN [NH3+]CCNc1cc(Cl)c([O-])c(Cl)c1 ZINC000306756665 350969348 /nfs/dbraw/zinc/96/93/48/350969348.db2.gz RRNOXZUCRMQGTJ-UHFFFAOYSA-N 0 0 221.087 2.070 10 0 BEAERN Cc1occc1C(=O)Nc1ccccc1N ZINC000022149580 180538881 /nfs/dbraw/zinc/53/88/81/180538881.db2.gz YDTHPYPALBVNLI-UHFFFAOYSA-N 0 0 216.240 2.423 10 0 BEAERN Cc1cc(Sc2ccc(Cl)nn2)n(C)n1 ZINC000052310309 350979476 /nfs/dbraw/zinc/97/94/76/350979476.db2.gz UTPROHGZDPFZHV-UHFFFAOYSA-N 0 0 240.719 2.323 10 0 BEAERN Cc1cccc(-c2nc(N)n[nH]2)c1Cl ZINC000129076115 350981500 /nfs/dbraw/zinc/98/15/00/350981500.db2.gz GLRZYTSTKXJHIA-UHFFFAOYSA-N 0 0 208.652 2.016 10 0 BEAERN Cc1ccc(Oc2ccc(N)nn2)c(C)c1 ZINC000159741168 350985271 /nfs/dbraw/zinc/98/52/71/350985271.db2.gz SYZAQRRWBJHNHB-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1ccc(C(=O)N2CC2)c(Br)c1 ZINC000306761227 350985350 /nfs/dbraw/zinc/98/53/50/350985350.db2.gz ZBTLYLLQIRGFRI-UHFFFAOYSA-N 0 0 240.100 2.213 10 0 BEAERN C[C@@H](NC(=O)n1ccnc1)C1CCCCC1 ZINC000052341860 350988446 /nfs/dbraw/zinc/98/84/46/350988446.db2.gz VNFRBLVYNFNXLE-SNVBAGLBSA-N 0 0 221.304 2.410 10 0 BEAERN Nc1c(O)ccc(OC(F)(F)F)c1F ZINC000306762654 350992757 /nfs/dbraw/zinc/99/27/57/350992757.db2.gz DTKXTZQWWUHNPP-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN Cc1csc(C(=O)N2CC(=O)CC2(C)C)c1 ZINC000334887293 187473397 /nfs/dbraw/zinc/47/33/97/187473397.db2.gz XDGLIEBWOZKYSQ-UHFFFAOYSA-N 0 0 237.324 2.250 10 0 BEAERN COc1ccc2nc(C3CC3)c(NN)cc2c1 ZINC000725268005 538099754 /nfs/dbraw/zinc/09/97/54/538099754.db2.gz FFTYQUSWQRNJQE-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ccncn1 ZINC000616620998 350948915 /nfs/dbraw/zinc/94/89/15/350948915.db2.gz AWWKMPNZMVIMHQ-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1c1ncc[nH]1 ZINC000616621014 350949777 /nfs/dbraw/zinc/94/97/77/350949777.db2.gz JNYZEBGZMXVRCX-JTQLQIEISA-N 0 0 237.303 2.483 10 0 BEAERN Nc1ccccc1OCc1cncs1 ZINC000159615228 350952319 /nfs/dbraw/zinc/95/23/19/350952319.db2.gz FBYSMMHOLFDDRB-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN Cc1csc([C@@H]2N[C@@H](C)CS2)n1 ZINC000159620826 350953062 /nfs/dbraw/zinc/95/30/62/350953062.db2.gz UYQCUIJCYAOLLK-POYBYMJQSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1csc([C@H]2N[C@@H](C)CS2)n1 ZINC000159620941 350953343 /nfs/dbraw/zinc/95/33/43/350953343.db2.gz UYQCUIJCYAOLLK-XPUUQOCRSA-N 0 0 200.332 2.175 10 0 BEAERN CSCC[C@@H](CO)Nc1ccnc(Cl)c1 ZINC000154572954 351065399 /nfs/dbraw/zinc/06/53/99/351065399.db2.gz RLLKFIDEIWGERW-VIFPVBQESA-N 0 0 246.763 2.261 10 0 BEAERN O=[S@@](Nc1ccc(Cl)nn1)C1CCCC1 ZINC000306802220 351055390 /nfs/dbraw/zinc/05/53/90/351055390.db2.gz ADBSGXYHBPRUPE-OAHLLOKOSA-N 0 0 245.735 2.148 10 0 BEAERN Cc1ccc([C@H]2NC(=O)[C@H]2C(C)C)s1 ZINC000306807259 351059448 /nfs/dbraw/zinc/05/94/48/351059448.db2.gz LTSAYVDHRURCJC-VHSXEESVSA-N 0 0 209.314 2.500 10 0 BEAERN CCCn1ccnc1[C@@H]1NCCCS1 ZINC000306809125 351062206 /nfs/dbraw/zinc/06/22/06/351062206.db2.gz RBMORDNGLFIENB-SNVBAGLBSA-N 0 0 211.334 2.018 10 0 BEAERN CCCn1ccnc1[C@H]1NCCCS1 ZINC000306809124 351062333 /nfs/dbraw/zinc/06/23/33/351062333.db2.gz RBMORDNGLFIENB-JTQLQIEISA-N 0 0 211.334 2.018 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cnoc2)CC1 ZINC000616630053 351101931 /nfs/dbraw/zinc/10/19/31/351101931.db2.gz UNXJYDUWLOTTQY-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616630366 351102817 /nfs/dbraw/zinc/10/28/17/351102817.db2.gz WARDFEVXSOPJJU-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ncco2)CC1 ZINC000616630900 351104383 /nfs/dbraw/zinc/10/43/83/351104383.db2.gz NQGYXXLCPVYGPJ-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616631602 351105437 /nfs/dbraw/zinc/10/54/37/351105437.db2.gz AWMKJUFAMWOKIN-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN CC(=O)N1CCC[C@@H]1c1cc2ccccc2nn1 ZINC000616633213 351114535 /nfs/dbraw/zinc/11/45/35/351114535.db2.gz LLKHKCWHHZLODM-CQSZACIVSA-N 0 0 241.294 2.313 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616633202 351114574 /nfs/dbraw/zinc/11/45/74/351114574.db2.gz KJSGGKVJAZPSPZ-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cccc2cccnc21 ZINC000616634195 351117288 /nfs/dbraw/zinc/11/72/88/351117288.db2.gz VPMARUSKMYLMMB-GFCCVEGCSA-N 0 0 241.294 2.450 10 0 BEAERN CC(C)(C)N1CCCCC[C@H]1S(C)(=O)=O ZINC000616634624 351118018 /nfs/dbraw/zinc/11/80/18/351118018.db2.gz YKVZBIMUVZQGQI-SNVBAGLBSA-N 0 0 233.377 2.032 10 0 BEAERN CN1CCOC[C@@H]1c1cccc2cccnc21 ZINC000616636050 351123356 /nfs/dbraw/zinc/12/33/56/351123356.db2.gz ACOGTYGLIOEMFU-CYBMUJFWSA-N 0 0 228.295 2.238 10 0 BEAERN C[C@](O)(c1cccs1)c1cccnc1 ZINC000063076931 351071737 /nfs/dbraw/zinc/07/17/37/351071737.db2.gz XELKPSXXJFLKLD-LLVKDONJSA-N 0 0 205.282 2.399 10 0 BEAERN CC(C)c1noc([C@@H]2CCCC(=O)C2)n1 ZINC000306811508 351079476 /nfs/dbraw/zinc/07/94/76/351079476.db2.gz XCMFSFLMZRMTKK-MRVPVSSYSA-N 0 0 208.261 2.420 10 0 BEAERN COc1cc([C@@H]2CCCC2=O)c(F)cn1 ZINC000306811975 351080582 /nfs/dbraw/zinc/08/05/82/351080582.db2.gz XZBOEQRWWOEAQA-ZETCQYMHSA-N 0 0 209.220 2.066 10 0 BEAERN CC(=O)N1CCCCC[C@H]1OC(F)(F)F ZINC000616622477 351085992 /nfs/dbraw/zinc/08/59/92/351085992.db2.gz DGEYBDVKXWQWHY-MRVPVSSYSA-N 0 0 225.210 2.271 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1ccccc1N ZINC000616622257 351086058 /nfs/dbraw/zinc/08/60/58/351086058.db2.gz APDWRZWADXZQLS-LBPRGKRZSA-N 0 0 233.315 2.265 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1cccnc1 ZINC000616622378 351086182 /nfs/dbraw/zinc/08/61/82/351086182.db2.gz CFZOYMAOWNCQIZ-NSHDSACASA-N 0 0 219.288 2.077 10 0 BEAERN NC(=O)N1CC[C@H](c2cccc3ccncc32)C1 ZINC000616626006 351086827 /nfs/dbraw/zinc/08/68/27/351086827.db2.gz ORGWOHVLLGQWBL-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cnco1 ZINC000616622495 351086889 /nfs/dbraw/zinc/08/68/89/351086889.db2.gz DSBSTTSPRPOHKQ-VIFPVBQESA-N 0 0 224.260 2.358 10 0 BEAERN Cc1sc2[nH]cnc(=O)c2c1Br ZINC000096918799 180558885 /nfs/dbraw/zinc/55/88/85/180558885.db2.gz UMFUQRRQNBDQBK-UHFFFAOYSA-N 0 0 245.101 2.056 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1ccno1 ZINC000616623220 351088713 /nfs/dbraw/zinc/08/87/13/351088713.db2.gz CMHGSPHICQQMEA-SNVBAGLBSA-N 0 0 208.261 2.138 10 0 BEAERN CC(C)[N@@H+]1CCCCC[C@@H]1c1cnn[n-]1 ZINC000616623698 351090428 /nfs/dbraw/zinc/09/04/28/351090428.db2.gz RDAVEEWXTOVWLC-LLVKDONJSA-N 0 0 208.309 2.130 10 0 BEAERN CC(=O)N1CCC[C@@H](c2cccnc2)CC1 ZINC000616627372 351094451 /nfs/dbraw/zinc/09/44/51/351094451.db2.gz KYIILFOQUWVCAJ-GFCCVEGCSA-N 0 0 218.300 2.198 10 0 BEAERN CC(=O)N1CCCC[C@H](C(F)(F)F)C1 ZINC000616627653 351095750 /nfs/dbraw/zinc/09/57/50/351095750.db2.gz MGNYSUHBJUHYQR-QMMMGPOBSA-N 0 0 209.211 2.197 10 0 BEAERN CC(=O)N1CCC[C@H](c2cccc(N)c2)CC1 ZINC000616628736 351099443 /nfs/dbraw/zinc/09/94/43/351099443.db2.gz QGEUXSDFNYOVAX-LBPRGKRZSA-N 0 0 232.327 2.385 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cc[nH]n2)C1 ZINC000616629089 351100086 /nfs/dbraw/zinc/10/00/86/351100086.db2.gz OHPMEZLRHJEXML-JTQLQIEISA-N 0 0 237.303 2.136 10 0 BEAERN COC(=O)N1CCCC[C@H](c2cnco2)C1 ZINC000616629260 351100359 /nfs/dbraw/zinc/10/03/59/351100359.db2.gz RAWFTRVDJKGPHW-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CCN1CCOC[C@H]1c1cnnc2ccccc21 ZINC000616641227 351147916 /nfs/dbraw/zinc/14/79/16/351147916.db2.gz FZLDUIOQXNELMW-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CN1CCOC[C@H]1c1ccc2cccnc2c1 ZINC000616641715 351151441 /nfs/dbraw/zinc/15/14/41/351151441.db2.gz MZAKYYKEQPIOFX-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CCN1CCOC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616641818 351151859 /nfs/dbraw/zinc/15/18/59/351151859.db2.gz QVDOKBUSLZKEAF-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN CC(=O)N1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616642709 351154384 /nfs/dbraw/zinc/15/43/84/351154384.db2.gz RLEUCKKAKIPDFR-LBPRGKRZSA-N 0 0 239.702 2.260 10 0 BEAERN CC(=O)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000616642708 351154504 /nfs/dbraw/zinc/15/45/04/351154504.db2.gz RJNODFNHYTWZAK-LBPRGKRZSA-N 0 0 239.702 2.260 10 0 BEAERN CN1CCO[C@H](c2ccc3cnccc3c2)C1 ZINC000616643529 351156853 /nfs/dbraw/zinc/15/68/53/351156853.db2.gz RBIZXLVZDOYMKE-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCO[C@H](c2ccc3ncccc3c2)C1 ZINC000616643749 351157706 /nfs/dbraw/zinc/15/77/06/351157706.db2.gz YWXVGLGBDHOVPE-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CCN1CCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616644323 351163492 /nfs/dbraw/zinc/16/34/92/351163492.db2.gz AXYGHRYHHMBNOK-CYBMUJFWSA-N 0 0 243.310 2.023 10 0 BEAERN COc1ccc([C@H]2COCCCN2C(C)=O)cc1 ZINC000616646980 351164235 /nfs/dbraw/zinc/16/42/35/351164235.db2.gz DKXUPKBZDIXOFF-CQSZACIVSA-N 0 0 249.310 2.005 10 0 BEAERN CC(C)N1CCCOC[C@H]1C(F)(F)F ZINC000616646446 351171205 /nfs/dbraw/zinc/17/12/05/351171205.db2.gz WPNOCMMHSJRBRW-QMMMGPOBSA-N 0 0 211.227 2.048 10 0 BEAERN CC[N@@H+]1CCCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616653664 351193695 /nfs/dbraw/zinc/19/36/95/351193695.db2.gz SSJLBKOVFOOEDT-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CCCN(C)c1cc(F)c(F)cc1N ZINC000306855901 351176783 /nfs/dbraw/zinc/17/67/83/351176783.db2.gz WMOMCUYWWNMDGA-UHFFFAOYSA-N 0 0 200.232 2.393 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ccon2)C1 ZINC000616655456 351194059 /nfs/dbraw/zinc/19/40/59/351194059.db2.gz WQOKXGMEOYCLHY-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ccno2)C1 ZINC000616650440 351184398 /nfs/dbraw/zinc/18/43/98/351184398.db2.gz DDVYWTSGNWQEPU-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN COC(=O)N1CCCC[C@@H](C(F)(F)F)C1 ZINC000616652943 351186796 /nfs/dbraw/zinc/18/67/96/351186796.db2.gz KCLRTCYAVMSJAD-SSDOTTSWSA-N 0 0 225.210 2.417 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](n2cccn2)C1 ZINC000616652946 351186919 /nfs/dbraw/zinc/18/69/19/351186919.db2.gz KIFHICDJSHQAPB-LLVKDONJSA-N 0 0 237.303 2.067 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2ccon2)C1 ZINC000616652958 351187360 /nfs/dbraw/zinc/18/73/60/351187360.db2.gz KXONGSSIYZIQIM-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN Cc1n[nH]c(=S)n1CCC(F)(F)F ZINC000063100735 351140536 /nfs/dbraw/zinc/14/05/36/351140536.db2.gz NJFOGJJGMCWRSW-UHFFFAOYSA-N 0 0 211.212 2.202 10 0 BEAERN c1nocc1[C@@H]1COCCN1Cc1ccccc1 ZINC000616639694 351143367 /nfs/dbraw/zinc/14/33/67/351143367.db2.gz RWHCJZAWYOYDKL-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN CC(C)[C@](C)(O)Cn1cc(Br)cn1 ZINC000167979270 351144106 /nfs/dbraw/zinc/14/41/06/351144106.db2.gz VEWQJPLXOUVEQW-SECBINFHSA-N 0 0 247.136 2.053 10 0 BEAERN O=C([O-])N1C[C@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616669289 351228886 /nfs/dbraw/zinc/22/88/86/351228886.db2.gz GNGBJXKATTXOBV-SNVBAGLBSA-N 0 0 243.266 2.234 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@H]1c1cc[nH]n1 ZINC000616669336 351228913 /nfs/dbraw/zinc/22/89/13/351228913.db2.gz GNNUPHWNEFQTGN-AWEZNQCLSA-N 0 0 241.294 2.450 10 0 BEAERN CN1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000616671197 351231529 /nfs/dbraw/zinc/23/15/29/351231529.db2.gz AQDRZSMTVMYQBO-LBPRGKRZSA-N 0 0 213.284 2.117 10 0 BEAERN Clc1cc(NC[C@H]2CCCO2)nc(Cl)n1 ZINC000149484609 180575762 /nfs/dbraw/zinc/57/57/62/180575762.db2.gz CCYLTMFKDZHQHO-ZCFIWIBFSA-N 0 0 248.113 2.374 10 0 BEAERN CCOC(=O)[C@H]1Cc2ccccc2N(CC)C1 ZINC000616671193 351231691 /nfs/dbraw/zinc/23/16/91/351231691.db2.gz AJRBMAOOKGQZJE-LBPRGKRZSA-N 0 0 233.311 2.248 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1C(F)(F)F ZINC000616671209 351231876 /nfs/dbraw/zinc/23/18/76/351231876.db2.gz SFKNKCQZXKTJPY-NSHDSACASA-N 0 0 245.244 2.362 10 0 BEAERN COCc1csc([C@H]2CSCCO2)n1 ZINC000231721554 351232576 /nfs/dbraw/zinc/23/25/76/351232576.db2.gz VGTWZUKKRUSXGN-MRVPVSSYSA-N 0 0 231.342 2.094 10 0 BEAERN CN1C[C@H](c2ccnnc2)Cc2ccccc21 ZINC000616670465 351233180 /nfs/dbraw/zinc/23/31/80/351233180.db2.gz LTWIFLJWPCNISI-CYBMUJFWSA-N 0 0 225.295 2.253 10 0 BEAERN CC(C)N1C[C@@H](c2nnc[nH]2)Cc2ccccc21 ZINC000616671438 351234524 /nfs/dbraw/zinc/23/45/24/351234524.db2.gz DJQFUXDBZAOVIX-LBPRGKRZSA-N 0 0 242.326 2.359 10 0 BEAERN CN1C[C@H](c2ncco2)Cc2ccccc21 ZINC000616672220 351235319 /nfs/dbraw/zinc/23/53/19/351235319.db2.gz XLYWSSRUVGKWSK-LLVKDONJSA-N 0 0 214.268 2.451 10 0 BEAERN Cc1n[nH]c(=S)n1Cc1ccsc1 ZINC000063153223 351263387 /nfs/dbraw/zinc/26/33/87/351263387.db2.gz RWWMQYGNWGOILU-UHFFFAOYSA-N 0 0 211.315 2.359 10 0 BEAERN CC(=O)N1C[C@H](c2cc[nH]n2)Cc2ccccc21 ZINC000616673624 351237185 /nfs/dbraw/zinc/23/71/85/351237185.db2.gz PRRNNHUYGIACQY-GFCCVEGCSA-N 0 0 241.294 2.103 10 0 BEAERN c1ccc2c(c1)NCC[C@@H]2c1cccnn1 ZINC000616673365 351237384 /nfs/dbraw/zinc/23/73/84/351237384.db2.gz AQMGNHYUCPRTLH-NSHDSACASA-N 0 0 211.268 2.424 10 0 BEAERN c1ccc2c(c1)NCC[C@H]2c1cccnn1 ZINC000616673988 351238057 /nfs/dbraw/zinc/23/80/57/351238057.db2.gz AQMGNHYUCPRTLH-LLVKDONJSA-N 0 0 211.268 2.424 10 0 BEAERN NC(=O)N1CC[C@@H](C(F)F)c2ccccc21 ZINC000616674344 351238629 /nfs/dbraw/zinc/23/86/29/351238629.db2.gz HQYQQHAOZDOXER-MRVPVSSYSA-N 0 0 226.226 2.324 10 0 BEAERN OCCN1CC[C@@H](C(F)F)c2ccccc21 ZINC000616673245 351240362 /nfs/dbraw/zinc/24/03/62/351240362.db2.gz SWQZTWNHFIXNEI-SNVBAGLBSA-N 0 0 227.254 2.238 10 0 BEAERN c1onnc1[C@@H]1CCNc2ccccc21 ZINC000616674892 351242254 /nfs/dbraw/zinc/24/22/54/351242254.db2.gz JWXPUGCFNIBCRC-SECBINFHSA-N 0 0 201.229 2.017 10 0 BEAERN CC(=O)N1CC[C@@H](c2ncc[nH]2)c2ccccc21 ZINC000616675040 351242319 /nfs/dbraw/zinc/24/23/19/351242319.db2.gz NAMMTBZKHYJVJF-GFCCVEGCSA-N 0 0 241.294 2.298 10 0 BEAERN NC(=O)N1CC[C@@H](c2ccno2)c2ccccc21 ZINC000616675360 351243112 /nfs/dbraw/zinc/24/31/12/351243112.db2.gz CQBVQXXEHWGERN-SNVBAGLBSA-N 0 0 243.266 2.095 10 0 BEAERN NC(=O)N1CC[C@@H](c2cnoc2)c2ccccc21 ZINC000616677210 351243774 /nfs/dbraw/zinc/24/37/74/351243774.db2.gz WMBCYGTULLOHOP-JTQLQIEISA-N 0 0 243.266 2.095 10 0 BEAERN CCN1C[C@@H](c2ncccn2)Nc2ccccc21 ZINC000616681062 351248657 /nfs/dbraw/zinc/24/86/57/351248657.db2.gz MCBJUVTVBYGSIZ-LBPRGKRZSA-N 0 0 240.310 2.470 10 0 BEAERN CC(=O)[C@@H]1CN(C(C)C)c2ccccc2N1 ZINC000616681180 351248661 /nfs/dbraw/zinc/24/86/61/351248661.db2.gz NTLWNMNWVIPWLR-LBPRGKRZSA-N 0 0 218.300 2.285 10 0 BEAERN CN1C[C@@H](c2ncccn2)Nc2ccccc21 ZINC000616681761 351252143 /nfs/dbraw/zinc/25/21/43/351252143.db2.gz UXPCDQWMGPHQIQ-NSHDSACASA-N 0 0 226.283 2.080 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cccnn1 ZINC000616682076 351252177 /nfs/dbraw/zinc/25/21/77/351252177.db2.gz DZPHVRGFOWLMLD-CYBMUJFWSA-N 0 0 226.283 2.080 10 0 BEAERN CN1C[C@@H](c2cnco2)Nc2ccccc21 ZINC000616681881 351252234 /nfs/dbraw/zinc/25/22/34/351252234.db2.gz YZOIHWJVHBXNIE-JTQLQIEISA-N 0 0 215.256 2.278 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ncccn1 ZINC000616682119 351252343 /nfs/dbraw/zinc/25/23/43/351252343.db2.gz AWHVFOWXUQWHHT-LBPRGKRZSA-N 0 0 226.283 2.080 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ccnnc1 ZINC000616683274 351254042 /nfs/dbraw/zinc/25/40/42/351254042.db2.gz QRZZYSCSPNAXTL-CYBMUJFWSA-N 0 0 226.283 2.080 10 0 BEAERN CC(C)N1C[C@H](c2nc[nH]n2)Nc2ccccc21 ZINC000616683246 351254180 /nfs/dbraw/zinc/25/41/80/351254180.db2.gz RDYLPQNWEJMGPF-LLVKDONJSA-N 0 0 243.314 2.186 10 0 BEAERN CCOC(=O)N1c2ccccc2NC[C@@H]1C(C)=O ZINC000616683415 351254247 /nfs/dbraw/zinc/25/42/47/351254247.db2.gz GLNDZGLDHJVKRS-GFCCVEGCSA-N 0 0 248.282 2.033 10 0 BEAERN CC(C)N1C[C@H](c2cnno2)Nc2ccccc21 ZINC000616683508 351254288 /nfs/dbraw/zinc/25/42/88/351254288.db2.gz RKMDPXJOOHGMMX-LLVKDONJSA-N 0 0 244.298 2.451 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ncc[nH]1 ZINC000616686694 351256913 /nfs/dbraw/zinc/25/69/13/351256913.db2.gz PBYKTCRXHWPGKE-NSHDSACASA-N 0 0 214.272 2.013 10 0 BEAERN CO[C@H]1CNc2ccccc2N1C(C)C ZINC000616685653 351257526 /nfs/dbraw/zinc/25/75/26/351257526.db2.gz SOINWLZFPFFUCT-LBPRGKRZSA-N 0 0 206.289 2.299 10 0 BEAERN C[C@H](CO)Nc1cc(Cl)ccc1F ZINC000306868193 351258229 /nfs/dbraw/zinc/25/82/29/351258229.db2.gz QRDDITZHQFUCIQ-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN CCOC(=O)N1C[C@H](OC)Nc2ccccc21 ZINC000616685813 351258807 /nfs/dbraw/zinc/25/88/07/351258807.db2.gz UFKMNJPBGZYRSD-NSHDSACASA-N 0 0 236.271 2.048 10 0 BEAERN COC(=O)N1CCCC[C@@H](c2cccnc2)C1 ZINC000616654145 351195868 /nfs/dbraw/zinc/19/58/68/351195868.db2.gz NQICYGMTJIBIOR-GFCCVEGCSA-N 0 0 234.299 2.418 10 0 BEAERN CC(=O)N1CCOCC[C@H]1c1ccc(F)cc1 ZINC000616656863 351197605 /nfs/dbraw/zinc/19/76/05/351197605.db2.gz OWOMEKJGZZMHTG-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN CC(C)N1CCOCC[C@H]1C(F)(F)F ZINC000616657861 351199673 /nfs/dbraw/zinc/19/96/73/351199673.db2.gz XWZISICCCAMFNG-QMMMGPOBSA-N 0 0 211.227 2.048 10 0 BEAERN CC[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC000616660667 351213327 /nfs/dbraw/zinc/21/33/27/351213327.db2.gz NPRIXRVQJZMFHR-JTQLQIEISA-N 0 0 229.320 2.280 10 0 BEAERN CC(C)(C)[N@@H+]1CCO[C@H](Nc2ccccn2)CC1 ZINC000616665611 351223577 /nfs/dbraw/zinc/22/35/77/351223577.db2.gz OHKSCVHKMYMVTA-ZDUSSCGKSA-N 0 0 249.358 2.340 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1c1ncco1 ZINC000616667791 351224837 /nfs/dbraw/zinc/22/48/37/351224837.db2.gz DDUSMXIOHSBRMO-CYBMUJFWSA-N 0 0 244.294 2.161 10 0 BEAERN Cc1nc(CC(=O)c2ccco2)cs1 ZINC000068979428 351310301 /nfs/dbraw/zinc/31/03/01/351310301.db2.gz PUGVHCCKYKFGSN-UHFFFAOYSA-N 0 0 207.254 2.470 10 0 BEAERN C[C@H]1SCC[C@H]1Nc1cc(N)ns1 ZINC000306901984 351316134 /nfs/dbraw/zinc/31/61/34/351316134.db2.gz PJSIOASMORBTFU-PHDIDXHHSA-N 0 0 215.347 2.031 10 0 BEAERN CC[C@H]1CS[C@@H](c2cnc(OC)s2)N1 ZINC000306914749 351327202 /nfs/dbraw/zinc/32/72/02/351327202.db2.gz SIAWSYFEEWVHEX-XPUUQOCRSA-N 0 0 230.358 2.265 10 0 BEAERN CC(C)c1ccc(C2C(=O)N=CNC2=O)cc1 ZINC000090189880 363021792 /nfs/dbraw/zinc/02/17/92/363021792.db2.gz GLAJJBUCFYWXKK-UHFFFAOYSA-N 0 0 230.267 2.266 10 0 BEAERN Cc1cc(Cn2cnnc2Cl)cs1 ZINC000306989672 351405097 /nfs/dbraw/zinc/40/50/97/351405097.db2.gz HREGJKWIZMRISG-UHFFFAOYSA-N 0 0 213.693 2.350 10 0 BEAERN C[C@@H]1C[C@@H](Nc2ccnc(Cl)n2)CS1 ZINC000306989541 351405201 /nfs/dbraw/zinc/40/52/01/351405201.db2.gz SCOZSOFBJFIKOM-RNFRBKRXSA-N 0 0 229.736 2.436 10 0 BEAERN CC(=O)CC(=O)Nc1cc(F)ccc1Cl ZINC000231820184 351383923 /nfs/dbraw/zinc/38/39/23/351383923.db2.gz MSTWAILJJHTCSF-UHFFFAOYSA-N 0 0 229.638 2.397 10 0 BEAERN C[C@H]1CCCCN1CC(=O)c1ccco1 ZINC000035036007 351388091 /nfs/dbraw/zinc/38/80/91/351388091.db2.gz SYTLCYSXWSMVOA-JTQLQIEISA-N 0 0 207.273 2.337 10 0 BEAERN COC(=O)c1c(Cl)ccc(Cl)c1O ZINC000306982706 351400109 /nfs/dbraw/zinc/40/01/09/351400109.db2.gz RWVAEQFJDGZLEO-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN Cc1nc(C)n(C[C@@H]2CC2(Cl)Cl)n1 ZINC000306924662 351342569 /nfs/dbraw/zinc/34/25/69/351342569.db2.gz KCDSNGLUDFQSPQ-ZETCQYMHSA-N 0 0 220.103 2.089 10 0 BEAERN CC(C)(CO)Nc1cncc(Br)c1 ZINC000168221562 351344743 /nfs/dbraw/zinc/34/47/43/351344743.db2.gz NUOXZUCQFFBCCZ-UHFFFAOYSA-N 0 0 245.120 2.027 10 0 BEAERN Cc1cc(NC#N)ncc1Br ZINC000168219907 351345109 /nfs/dbraw/zinc/34/51/09/351345109.db2.gz AFZYNUCHKIQCTF-UHFFFAOYSA-N 0 0 212.050 2.046 10 0 BEAERN CN(C)NCc1cc(F)cc(Cl)c1 ZINC000168267782 351361088 /nfs/dbraw/zinc/36/10/88/351361088.db2.gz TXRZXAVXFCDGID-UHFFFAOYSA-N 0 0 202.660 2.045 10 0 BEAERN C[C@@H](Nc1nsnc1Cl)C(F)F ZINC000307022954 351427780 /nfs/dbraw/zinc/42/77/80/351427780.db2.gz UZHCQNPOVNTCOG-UWTATZPHSA-N 0 0 213.640 2.257 10 0 BEAERN Cc1cscc1NCc1nnc(C)o1 ZINC000307025795 351434505 /nfs/dbraw/zinc/43/45/05/351434505.db2.gz XOIIXLMYMGIXTH-UHFFFAOYSA-N 0 0 209.274 2.360 10 0 BEAERN C[C@H](NC1=NC(C)(C)CS1)C(F)F ZINC000307027044 351435445 /nfs/dbraw/zinc/43/54/45/351435445.db2.gz ZHTCZABQHGCCPJ-YFKPBYRVSA-N 0 0 208.277 2.111 10 0 BEAERN C[C@@H](N1C(=S)N=NC1C)C(C)(F)F ZINC000307039633 351437084 /nfs/dbraw/zinc/43/70/84/351437084.db2.gz IQUOUFZVVSMVAV-SCSAIBSYSA-N 0 0 207.249 2.091 10 0 BEAERN O=Cc1ccc(N2CCC2)cc1Br ZINC000307041958 351444812 /nfs/dbraw/zinc/44/48/12/351444812.db2.gz AFPBQYBRAJWRDK-UHFFFAOYSA-N 0 0 240.100 2.472 10 0 BEAERN Cc1nc(Cl)cc2nnc(C(C)(F)F)n21 ZINC000307071959 351466848 /nfs/dbraw/zinc/46/68/48/351466848.db2.gz XVYNQOJOETUNGQ-UHFFFAOYSA-N 0 0 232.621 2.198 10 0 BEAERN COc1ccc([C@H](N)C(C)(F)F)s1 ZINC000307059043 351457887 /nfs/dbraw/zinc/45/78/87/351457887.db2.gz MLHLCQOMLBZQHS-ZETCQYMHSA-N 0 0 207.245 2.412 10 0 BEAERN Cc1cc([C@H]2NCCCS2)sn1 ZINC000404455497 351459343 /nfs/dbraw/zinc/45/93/43/351459343.db2.gz VFJDPLZGWKBTNH-QMMMGPOBSA-N 0 0 200.332 2.177 10 0 BEAERN O=C(c1ccccc1Cl)[C@H]1[C@@H]2COC[C@@H]21 ZINC000307061343 351459857 /nfs/dbraw/zinc/45/98/57/351459857.db2.gz FFYGXQXWWDEXDU-JZYVYDRUSA-N 0 0 222.671 2.415 10 0 BEAERN CC1(C)CN(Cc2nnc(Cl)s2)C1 ZINC000307061054 351460079 /nfs/dbraw/zinc/46/00/79/351460079.db2.gz KJNQTUOTGGWFNB-UHFFFAOYSA-N 0 0 217.725 2.033 10 0 BEAERN CCOC(=O)CN[C@H](CC)c1ccccc1F ZINC000122502062 363030333 /nfs/dbraw/zinc/03/03/33/363030333.db2.gz GEKVIWQNXYXZSH-GFCCVEGCSA-N 0 0 239.290 2.430 10 0 BEAERN C[C@H]1CCS[C@H](c2ccns2)N1 ZINC000404456308 351460611 /nfs/dbraw/zinc/46/06/11/351460611.db2.gz WBOWXIFGFZPRSY-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN CCOC(=O)CN[C@@H](CC)c1ccccc1F ZINC000122501820 363030407 /nfs/dbraw/zinc/03/04/07/363030407.db2.gz GEKVIWQNXYXZSH-LBPRGKRZSA-N 0 0 239.290 2.430 10 0 BEAERN C[C@H]1CSC[C@@H]1n1cc[nH]c1=S ZINC000306991577 351410062 /nfs/dbraw/zinc/41/00/62/351410062.db2.gz VHKWYQZXSXWQIB-BQBZGAKWSA-N 0 0 200.332 2.096 10 0 BEAERN COC(=O)C(=O)c1c(C)cccc1Cl ZINC000306997785 351412857 /nfs/dbraw/zinc/41/28/57/351412857.db2.gz XMHOXHGWGOCWOJ-UHFFFAOYSA-N 0 0 212.632 2.004 10 0 BEAERN Clc1csc(NCc2cocn2)n1 ZINC000307006405 351415113 /nfs/dbraw/zinc/41/51/13/351415113.db2.gz FUKDSKSWXSBUEV-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN C/C=C/CNc1ncc(N)cc1Br ZINC000307007167 351415218 /nfs/dbraw/zinc/41/52/18/351415218.db2.gz GBDYEWGGUDMAQV-NSCUHMNNSA-N 0 0 242.120 2.414 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCC12CCC2 ZINC000307017268 351422707 /nfs/dbraw/zinc/42/27/07/351422707.db2.gz PWJHSJRIZFBVEZ-NXEZZACHSA-N 0 0 211.305 2.114 10 0 BEAERN O=C1CCOC[C@@H]1CC=C(Cl)Cl ZINC000403378769 363037574 /nfs/dbraw/zinc/03/75/74/363037574.db2.gz ODMDXTVEXXDLPG-LURJTMIESA-N 0 0 209.072 2.301 10 0 BEAERN C[C@@]1([C@H](O)c2cscn2)CCCS1 ZINC000307144056 351502090 /nfs/dbraw/zinc/50/20/90/351502090.db2.gz FSSBUHVDWXGPLJ-BDAKNGLRSA-N 0 0 215.343 2.462 10 0 BEAERN CCc1nc([C@@H]2NC[C@@H](C)S2)cs1 ZINC000307154793 351503951 /nfs/dbraw/zinc/50/39/51/351503951.db2.gz LGWJFJWNBMBCMX-HZGVNTEJSA-N 0 0 214.359 2.429 10 0 BEAERN CC1(C)OC[C@@H](Cc2ccsc2)C1=O ZINC000307155417 351505765 /nfs/dbraw/zinc/50/57/65/351505765.db2.gz DZMDXABKOXSVIN-SECBINFHSA-N 0 0 210.298 2.285 10 0 BEAERN C/C(=C\Cl)CN1CCC(=O)[C@@H](C)C1 ZINC000232003655 351507308 /nfs/dbraw/zinc/50/73/08/351507308.db2.gz QFQUCOMPOBDBIY-QRJSTWQJSA-N 0 0 201.697 2.040 10 0 BEAERN O[C@H](c1ccc[nH]1)c1ncc(Cl)s1 ZINC000307108836 351480366 /nfs/dbraw/zinc/48/03/66/351480366.db2.gz JNSJGGXBEHVURV-SSDOTTSWSA-N 0 0 214.677 2.206 10 0 BEAERN COc1cc(F)cc(C(=O)C(F)F)c1 ZINC000307112015 351484337 /nfs/dbraw/zinc/48/43/37/351484337.db2.gz LUSKKAHUOYCPMI-UHFFFAOYSA-N 0 0 204.147 2.282 10 0 BEAERN Cc1nc(C(=O)[C@H]2CC[C@H](C)O2)cs1 ZINC000307119612 351488927 /nfs/dbraw/zinc/48/89/27/351488927.db2.gz SDAZGVLOWMRHFW-IMTBSYHQSA-N 0 0 211.286 2.202 10 0 BEAERN CC1(C)CC[C@@H]1[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000307121328 351489725 /nfs/dbraw/zinc/48/97/25/351489725.db2.gz IXXPIYHZZABBHE-JOYOIKCWSA-N 0 0 211.305 2.114 10 0 BEAERN C/C(=C\Cl)C[C@H]1CCCCNC1=O ZINC000232017040 351529848 /nfs/dbraw/zinc/52/98/48/351529848.db2.gz LDEMIGITVWHMDC-FCZSHJHJSA-N 0 0 201.697 2.435 10 0 BEAERN Cn1c2ccc(F)cc2nc1-c1cncc(N)c1 ZINC000062946677 180608656 /nfs/dbraw/zinc/60/86/56/180608656.db2.gz SILFLISWCIKZEF-UHFFFAOYSA-N 0 0 242.257 2.357 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@H]1[C@H](C)CCC[C@@H]1C ZINC000252108098 363068785 /nfs/dbraw/zinc/06/87/85/363068785.db2.gz HITLCHJQBZFZBD-YTWAJWBKSA-N 0 0 213.321 2.216 10 0 BEAERN Cc1cc(N2C[C@@H]3CCC[C@@H]32)nc(C)n1 ZINC000335792977 538100438 /nfs/dbraw/zinc/10/04/38/538100438.db2.gz GVVZPSTYSZNLIN-QWRGUYRKSA-N 0 0 203.289 2.082 10 0 BEAERN C[C@H](O)c1cnc(-c2ccccn2)s1 ZINC000054160690 351570471 /nfs/dbraw/zinc/57/04/71/351570471.db2.gz MIZIWQNMEXBXKU-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@@H](O)c1cnc(-c2ccccn2)s1 ZINC000054160691 351570794 /nfs/dbraw/zinc/57/07/94/351570794.db2.gz MIZIWQNMEXBXKU-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN CSC[C@@H](C)c1nc2cccnc2[nH]1 ZINC000300864893 363074820 /nfs/dbraw/zinc/07/48/20/363074820.db2.gz LBWXATWUKXWUQY-SSDOTTSWSA-N 0 0 207.302 2.424 10 0 BEAERN CCNc1nc([C@@]2(C)CCCS2)no1 ZINC000307185698 351585976 /nfs/dbraw/zinc/58/59/76/351585976.db2.gz JQTJUMXKQRVWOD-SECBINFHSA-N 0 0 213.306 2.244 10 0 BEAERN COc1ccc2cc(NN)c(CC3CC3)nc2c1 ZINC000725268604 538100681 /nfs/dbraw/zinc/10/06/81/538100681.db2.gz WQRSFPQGMLIWJY-UHFFFAOYSA-N 0 0 243.310 2.482 10 0 BEAERN Fc1cc(NCC2OCCO2)ccc1Cl ZINC000307205147 351608582 /nfs/dbraw/zinc/60/85/82/351608582.db2.gz JITOHXXXJOIYQG-UHFFFAOYSA-N 0 0 231.654 2.264 10 0 BEAERN COC(=O)C[C@H]1COc2c1cc(C)cc2C ZINC000606302107 351553494 /nfs/dbraw/zinc/55/34/94/351553494.db2.gz BXEWEXBUHCKDCD-JTQLQIEISA-N 0 0 220.268 2.343 10 0 BEAERN COC(=O)C[C@@H]1COc2c1cc(C)cc2C ZINC000606302108 351553516 /nfs/dbraw/zinc/55/35/16/351553516.db2.gz BXEWEXBUHCKDCD-SNVBAGLBSA-N 0 0 220.268 2.343 10 0 BEAERN C[C@@H](Nc1cc(N)ns1)C(F)(F)F ZINC000307212429 351614557 /nfs/dbraw/zinc/61/45/57/351614557.db2.gz PDEHLZBWDQPHAY-GSVOUGTGSA-N 0 0 211.212 2.088 10 0 BEAERN F[C@@H]1C[C@H](C(F)(F)F)CC2(C1)OCCO2 ZINC000606302876 351556488 /nfs/dbraw/zinc/55/64/88/351556488.db2.gz ALGRWOKPJOGDBJ-NKWVEPMBSA-N 0 0 228.185 2.430 10 0 BEAERN COc1cccc2nc(C3CC3)c(NN)cc21 ZINC000725268398 538100623 /nfs/dbraw/zinc/10/06/23/538100623.db2.gz PPEBKZZTOZOLAI-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000161846815 323568610 /nfs/dbraw/zinc/56/86/10/323568610.db2.gz CRPLBCOJQGUDKH-BDAKNGLRSA-N 0 0 235.274 2.056 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](O)[C@H](C1CC1)N2 ZINC000725268413 538100788 /nfs/dbraw/zinc/10/07/88/538100788.db2.gz QDCDZWVUHVMKEI-KGLIPLIRSA-N 0 0 233.311 2.193 10 0 BEAERN Cc1nc([C@@H](O)[C@H]2CCSC2)cs1 ZINC000307232735 351687466 /nfs/dbraw/zinc/68/74/66/351687466.db2.gz DQUFUBYHEQHSOX-CBAPKCEASA-N 0 0 215.343 2.238 10 0 BEAERN C[C@H]1SCCC[C@@H]1Nc1cncnc1 ZINC000232086219 351701081 /nfs/dbraw/zinc/70/10/81/351701081.db2.gz LFADPBXFEQEVEJ-SCZZXKLOSA-N 0 0 209.318 2.173 10 0 BEAERN Cc1ccsc1CN(C)C1=NC(=O)CS1 ZINC000307244135 351748957 /nfs/dbraw/zinc/74/89/57/351748957.db2.gz KXUSIXAEHBAANO-UHFFFAOYSA-N 0 0 240.353 2.118 10 0 BEAERN Cc1csc(N[C@H](C)CC(C)(C)O)n1 ZINC000307254047 351787868 /nfs/dbraw/zinc/78/78/68/351787868.db2.gz WROURAGWWQVPIH-SSDOTTSWSA-N 0 0 214.334 2.413 10 0 BEAERN O[C@H](Cc1cncs1)C1CC(F)(F)C1 ZINC000307254410 351788523 /nfs/dbraw/zinc/78/85/23/351788523.db2.gz XUIFEHZNWOJERC-MRVPVSSYSA-N 0 0 219.256 2.092 10 0 BEAERN C[C@@H](Nc1cccc(Br)n1)[C@H](C)O ZINC000307247767 351756648 /nfs/dbraw/zinc/75/66/48/351756648.db2.gz DUVRXSMPMNDMJA-RQJHMYQMSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@@H]1C[C@H]1c1n[nH]cc1Br ZINC000307251001 351770286 /nfs/dbraw/zinc/77/02/86/351770286.db2.gz NBQUSHGXOIROKT-RFZPGFLSSA-N 0 0 201.067 2.296 10 0 BEAERN C[C@@H]1C[C@@H]1c1n[nH]cc1Br ZINC000307251002 351770442 /nfs/dbraw/zinc/77/04/42/351770442.db2.gz NBQUSHGXOIROKT-UHNVWZDZSA-N 0 0 201.067 2.296 10 0 BEAERN CCN(c1cccc(Cl)n1)[C@@H]1CCOC1 ZINC000307271953 351822845 /nfs/dbraw/zinc/82/28/45/351822845.db2.gz DCCDCNCMJMHEER-SECBINFHSA-N 0 0 226.707 2.350 10 0 BEAERN C[C@@H](c1ccccn1)[C@@H](O)C(C)(F)F ZINC000300876500 363092354 /nfs/dbraw/zinc/09/23/54/363092354.db2.gz LYCJJUBBSNDGBG-IONNQARKSA-N 0 0 201.216 2.201 10 0 BEAERN Cc1nc([C@@H](C)[NH3+])cn1Cc1ccccc1 ZINC000307290325 351859006 /nfs/dbraw/zinc/85/90/06/351859006.db2.gz BKVVGRBHLZQTFI-SNVBAGLBSA-N 0 0 215.300 2.260 10 0 BEAERN Cn1cc(CNc2cc(F)c(F)cc2F)cn1 ZINC000061093303 180652419 /nfs/dbraw/zinc/65/24/19/180652419.db2.gz GEDQBWLKNQBRBA-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN Cn1cc(N)cc1C(=O)OCc1ccsc1 ZINC000041048047 180655159 /nfs/dbraw/zinc/65/51/59/180655159.db2.gz UHTCQLVNLKLKJH-UHFFFAOYSA-N 0 0 236.296 2.026 10 0 BEAERN C[C@H](CC(=O)[O-])[N@@H+]1CCC2(CCCC2)C1 ZINC000307300908 351925958 /nfs/dbraw/zinc/92/59/58/351925958.db2.gz SUSZWXSHBOZYHX-SNVBAGLBSA-N 0 0 211.305 2.116 10 0 BEAERN Clc1nc(CN2CCCCC2)ns1 ZINC000096675839 187536334 /nfs/dbraw/zinc/53/63/34/187536334.db2.gz ANOLJXALCJUBAU-UHFFFAOYSA-N 0 0 217.725 2.177 10 0 BEAERN NC(=O)c1cccc(Cl)c1OC(F)F ZINC000307311486 351987492 /nfs/dbraw/zinc/98/74/92/351987492.db2.gz ZTFPIGDDBRNVGQ-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN Cn1cc(Sc2c(N)ccc(F)c2F)cn1 ZINC000053168562 180663938 /nfs/dbraw/zinc/66/39/38/180663938.db2.gz MCTNJDISXVCIJH-UHFFFAOYSA-N 0 0 241.266 2.432 10 0 BEAERN COc1cc(F)cc(-n2cnnc2Cl)c1 ZINC000300886409 363098896 /nfs/dbraw/zinc/09/88/96/363098896.db2.gz AXQZSNQLJMPHNX-UHFFFAOYSA-N 0 0 227.626 2.068 10 0 BEAERN Cn1cc([C@@H]2C[C@@H]2c2nc(C(C)(C)C)no2)cn1 ZINC000363511146 180667872 /nfs/dbraw/zinc/66/78/72/180667872.db2.gz HDPWGHZOYVFAHQ-UWVGGRQHSA-N 0 0 246.314 2.372 10 0 BEAERN Cn1cc([C@H]2CCCN2C(=O)C=C2CCC2)cn1 ZINC000151720067 180671317 /nfs/dbraw/zinc/67/13/17/180671317.db2.gz CCKIFLJVFYIETH-CYBMUJFWSA-N 0 0 245.326 2.194 10 0 BEAERN CCC(=O)c1nscc1Br ZINC000404755367 352047610 /nfs/dbraw/zinc/04/76/10/352047610.db2.gz FBKXAFQTYMEUHC-UHFFFAOYSA-N 0 0 220.091 2.498 10 0 BEAERN C/C=C/CNc1nc(Cl)ncc1F ZINC000307321008 352015260 /nfs/dbraw/zinc/01/52/60/352015260.db2.gz WEZBMTCANYAQLI-NSCUHMNNSA-N 0 0 201.632 2.257 10 0 BEAERN Cc1nc(C)c([C@@H]2NCCS2)s1 ZINC000307326428 352018415 /nfs/dbraw/zinc/01/84/15/352018415.db2.gz HRBCLUZZHXCZEW-MRVPVSSYSA-N 0 0 200.332 2.095 10 0 BEAERN Brc1ncncc1-c1cnsc1 ZINC000404746840 352024579 /nfs/dbraw/zinc/02/45/79/352024579.db2.gz ACKCDTXOLKDMOZ-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN O=C(CC1CCC1)Nc1ccnc(Cl)n1 ZINC000232176122 352032102 /nfs/dbraw/zinc/03/21/02/352032102.db2.gz KRBGMFFYTIBZMR-UHFFFAOYSA-N 0 0 225.679 2.259 10 0 BEAERN COc1ccc([C@@H](O)C(C)(F)F)s1 ZINC000307341177 352089404 /nfs/dbraw/zinc/08/94/04/352089404.db2.gz UOTOJZGTCXPJNC-SSDOTTSWSA-N 0 0 208.229 2.445 10 0 BEAERN CC1(C)CN(c2nsnc2Cl)CCCO1 ZINC000307347590 352103026 /nfs/dbraw/zinc/10/30/26/352103026.db2.gz NHAFEOUAXHHTBS-UHFFFAOYSA-N 0 0 247.751 2.197 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCCCC[C@H]1C ZINC000252113189 363124112 /nfs/dbraw/zinc/12/41/12/363124112.db2.gz IBQROBJUBKYELI-GHMZBOCLSA-N 0 0 213.321 2.360 10 0 BEAERN COC(=O)CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000037187491 358469282 /nfs/dbraw/zinc/46/92/82/358469282.db2.gz WOYZSLGWZWUUHK-KBPBESRZSA-N 0 0 247.338 2.475 10 0 BEAERN CCc1nnc(CN(C2CC2)C2CCCC2)n1C ZINC000171616348 363179383 /nfs/dbraw/zinc/17/93/83/363179383.db2.gz XXXVKGCJBRXJRB-UHFFFAOYSA-N 0 0 248.374 2.285 10 0 BEAERN Cc1csc(N[C@@H]2CCOC[C@@H]2C)n1 ZINC000300945299 363175373 /nfs/dbraw/zinc/17/53/73/363175373.db2.gz DYLVIRHMTCNYOU-IONNQARKSA-N 0 0 212.318 2.288 10 0 BEAERN O=C1Nc2ccc(F)cc2[C@@]1(O)c1ccccc1 ZINC000044713207 352384245 /nfs/dbraw/zinc/38/42/45/352384245.db2.gz FHLQPIOHZWDSQN-AWEZNQCLSA-N 0 0 243.237 2.014 10 0 BEAERN Nc1c[nH]c2cc(C(F)(F)F)cnc12 ZINC000044713065 352384466 /nfs/dbraw/zinc/38/44/66/352384466.db2.gz HSMBCWNIFJALKL-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN CNc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000638562583 352387215 /nfs/dbraw/zinc/38/72/15/352387215.db2.gz ZJBGUWLVGDOREW-CABZTGNLSA-N 0 0 234.299 2.234 10 0 BEAERN CC[S@](=O)Nc1c(N)cccc1Cl ZINC000307378851 352477131 /nfs/dbraw/zinc/47/71/31/352477131.db2.gz CYECEZKJSQHXIH-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN N[C@@H](c1cnsc1)c1sccc1F ZINC000404848688 352590532 /nfs/dbraw/zinc/59/05/32/352590532.db2.gz NJEICSMIWRLLQI-ZETCQYMHSA-N 0 0 214.290 2.392 10 0 BEAERN CC(C)COc1cccc(C(=O)N2CCCO2)c1 ZINC000125468603 187743626 /nfs/dbraw/zinc/74/36/26/187743626.db2.gz BJUWYEZIRQDWGL-UHFFFAOYSA-N 0 0 249.310 2.499 10 0 BEAERN CCc1ccc([C@H](O)c2ccns2)o1 ZINC000307436213 352595918 /nfs/dbraw/zinc/59/59/18/352595918.db2.gz SQEZIOTWDWFQIX-JTQLQIEISA-N 0 0 209.270 2.380 10 0 BEAERN [NH3+][C@@H](c1ccsc1)C1(C(=O)[O-])CCC1 ZINC000307444190 352597261 /nfs/dbraw/zinc/59/72/61/352597261.db2.gz BOEGUNFIXSRXKF-QMMMGPOBSA-N 0 0 211.286 2.003 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@]2(CCCC2=O)C1 ZINC000307441453 352597269 /nfs/dbraw/zinc/59/72/69/352597269.db2.gz AFSMSLGKOLTQGI-CYBMUJFWSA-N 0 0 239.315 2.367 10 0 BEAERN CC(C)(Br)C(=O)N[C@@H]1CCC1(C)C ZINC000307444198 352597335 /nfs/dbraw/zinc/59/73/35/352597335.db2.gz BPQUEYJASADEEQ-SSDOTTSWSA-N 0 0 248.164 2.465 10 0 BEAERN C[C@H](Nc1cnns1)c1cscn1 ZINC000232290221 352598928 /nfs/dbraw/zinc/59/89/28/352598928.db2.gz IFCSVGGFYHBWHJ-YFKPBYRVSA-N 0 0 212.303 2.168 10 0 BEAERN CC[S@](=O)Nc1cc(Cl)ccc1N ZINC000307445771 352602248 /nfs/dbraw/zinc/60/22/48/352602248.db2.gz VVLRWAZTVJKCRS-ZDUSSCGKSA-N 0 0 218.709 2.018 10 0 BEAERN COC(=O)c1cc(F)c(F)c(F)c1C ZINC000307447598 352603146 /nfs/dbraw/zinc/60/31/46/352603146.db2.gz JYQHPSKNWMACBO-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN CC[C@H]1CNC(=O)N(Cc2ccccc2)C(=O)C1 ZINC000232305467 352610993 /nfs/dbraw/zinc/61/09/93/352610993.db2.gz JJPRTJYDRVNZDT-LLVKDONJSA-N 0 0 246.310 2.155 10 0 BEAERN CC[S@@](=O)Nc1ccc(Cl)nc1C ZINC000307474684 352615920 /nfs/dbraw/zinc/61/59/20/352615920.db2.gz AJCGAVRFDNJDMY-CYBMUJFWSA-N 0 0 218.709 2.139 10 0 BEAERN CC(=O)Nc1c[nH]c(=O)cc1-c1ccccc1 ZINC000090759661 187755322 /nfs/dbraw/zinc/75/53/22/187755322.db2.gz CZROQPAVMFAMCW-UHFFFAOYSA-N 0 0 228.251 2.000 10 0 BEAERN Cc1cnc(NC(=O)OC(C)(C)C)c(N)c1 ZINC000307470657 352617118 /nfs/dbraw/zinc/61/71/18/352617118.db2.gz OSBSLIGGRJFUFQ-UHFFFAOYSA-N 0 0 223.276 2.319 10 0 BEAERN Cc1nc([C@@H]2CCCCS2)ncc1N ZINC000300735026 352571547 /nfs/dbraw/zinc/57/15/47/352571547.db2.gz KOFOXEWCJHUKCS-VIFPVBQESA-N 0 0 209.318 2.325 10 0 BEAERN CNC(=O)c1cccc2ccc(OC)cc21 ZINC000013781822 187760776 /nfs/dbraw/zinc/76/07/76/187760776.db2.gz MSXZENFFONYSRK-UHFFFAOYSA-N 0 0 215.252 2.208 10 0 BEAERN COC(C)(C)c1coc(Br)n1 ZINC000300746130 352572899 /nfs/dbraw/zinc/57/28/99/352572899.db2.gz CVKGUJWSALZGQI-UHFFFAOYSA-N 0 0 220.066 2.319 10 0 BEAERN O[C@H](Cc1nccs1)[C@@H]1CCCSC1 ZINC000307400534 352574061 /nfs/dbraw/zinc/57/40/61/352574061.db2.gz AGBVUHFYMRQEDE-RKDXNWHRSA-N 0 0 229.370 2.190 10 0 BEAERN Brc1csnc1CNC1CC1 ZINC000404829509 352575387 /nfs/dbraw/zinc/57/53/87/352575387.db2.gz XCBVOQDHAIRFJA-UHFFFAOYSA-N 0 0 233.134 2.158 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1C(C)(F)F ZINC000300837698 352576067 /nfs/dbraw/zinc/57/60/67/352576067.db2.gz DPUXUPQNODDHAW-UHFFFAOYSA-N 0 0 203.236 2.302 10 0 BEAERN NN[C@@H](C1CC1)[C@@H]1CCCC(F)(F)C1 ZINC000300917173 352578759 /nfs/dbraw/zinc/57/87/59/352578759.db2.gz PIIHNLPDHRSGSC-BDAKNGLRSA-N 0 0 204.264 2.054 10 0 BEAERN Nc1nsc([C@H]2CCC(F)(F)C2)n1 ZINC000300981376 352581886 /nfs/dbraw/zinc/58/18/86/352581886.db2.gz KNWCWBGHAYGZBK-BYPYZUCNSA-N 0 0 205.233 2.023 10 0 BEAERN CO[C@@H]1CCC[C@@H]1n1ccc(Br)n1 ZINC000307408002 352582265 /nfs/dbraw/zinc/58/22/65/352582265.db2.gz FENNEZQESFOMOZ-JGVFFNPUSA-N 0 0 245.120 2.386 10 0 BEAERN CC(=O)N1CCc2cc(NC(C)C)ccc21 ZINC000035036589 187766364 /nfs/dbraw/zinc/76/63/64/187766364.db2.gz SUQSWNXSLWUXHJ-UHFFFAOYSA-N 0 0 218.300 2.416 10 0 BEAERN O=C1NCC[C@@H]1Cc1ccc(Cl)s1 ZINC000133902172 352651131 /nfs/dbraw/zinc/65/11/31/352651131.db2.gz OCKXGMYNQMBLMI-ZCFIWIBFSA-N 0 0 215.705 2.080 10 0 BEAERN Cc1cc(C(=O)NCCC2CCCC2)on1 ZINC000044705875 352655360 /nfs/dbraw/zinc/65/53/60/352655360.db2.gz MSVOYIIMKBCJBZ-UHFFFAOYSA-N 0 0 222.288 2.293 10 0 BEAERN CC(C)C[C@@H](O)c1ccc2c(c1)CC(=O)N2 ZINC000040255191 187774639 /nfs/dbraw/zinc/77/46/39/187774639.db2.gz NGQZDQHUWYMJDU-GFCCVEGCSA-N 0 0 219.284 2.261 10 0 BEAERN C[C@]1(CO)CC[C@@H]([C@@]2(C)CCCS2)O1 ZINC000307608408 352667181 /nfs/dbraw/zinc/66/71/81/352667181.db2.gz DTKILSIHLVZHNG-HBNTYKKESA-N 0 0 216.346 2.202 10 0 BEAERN C[C@]1(CO)CC[C@@H]([C@]2(C)CCCS2)O1 ZINC000307608406 352667292 /nfs/dbraw/zinc/66/72/92/352667292.db2.gz DTKILSIHLVZHNG-AXFHLTTASA-N 0 0 216.346 2.202 10 0 BEAERN CC(C)[C@@H](C)n1ncc(Br)c1N ZINC000043666141 187778274 /nfs/dbraw/zinc/77/82/74/187778274.db2.gz AIUIONGYONLWTB-ZCFIWIBFSA-N 0 0 232.125 2.445 10 0 BEAERN C=C(Cl)C(=O)NC1C(C)(C)C1(C)C ZINC000307607557 352668390 /nfs/dbraw/zinc/66/83/90/352668390.db2.gz CLCPMCHCZZUWDM-UHFFFAOYSA-N 0 0 201.697 2.290 10 0 BEAERN NC(=O)Nc1cc(F)c(F)cc1Cl ZINC000307609894 352668634 /nfs/dbraw/zinc/66/86/34/352668634.db2.gz HCJNUJAKGBPPTB-UHFFFAOYSA-N 0 0 206.579 2.109 10 0 BEAERN Cc1ccsc1[C@]1(C)CC[C@H](CO)O1 ZINC000307481268 352620865 /nfs/dbraw/zinc/62/08/65/352620865.db2.gz PLSADXVCYXLAPO-KOLCDFICSA-N 0 0 212.314 2.443 10 0 BEAERN CC1(C)CN(c2nc(Cl)c(CO)s2)C1 ZINC000307504019 352630543 /nfs/dbraw/zinc/63/05/43/352630543.db2.gz PKXPLCFJMSEKKF-UHFFFAOYSA-N 0 0 232.736 2.135 10 0 BEAERN CCNc1nsnc1-c1cnsc1 ZINC000404932180 352633838 /nfs/dbraw/zinc/63/38/38/352633838.db2.gz LNULRLRPDISMRU-UHFFFAOYSA-N 0 0 212.303 2.093 10 0 BEAERN Cc1ncc([C@H]2N[C@@H](C)CS2)s1 ZINC000307533595 352638335 /nfs/dbraw/zinc/63/83/35/352638335.db2.gz IOGXHFFFFLKDHB-XNCJUZBTSA-N 0 0 200.332 2.175 10 0 BEAERN COC(=O)Cc1c(O)cc(Cl)cc1Cl ZINC000307531599 352638407 /nfs/dbraw/zinc/63/84/07/352638407.db2.gz VOCQIAWDUXIXRR-UHFFFAOYSA-N 0 0 235.066 2.415 10 0 BEAERN CC(C)c1ncc(C(=O)N[C@@H]2C[C@H]2C)s1 ZINC000134121244 187810346 /nfs/dbraw/zinc/81/03/46/187810346.db2.gz XFMMKHDINHQEQS-HTQZYQBOSA-N 0 0 224.329 2.405 10 0 BEAERN NCc1nnc(-c2csc(Cl)c2)s1 ZINC000307628520 352708683 /nfs/dbraw/zinc/70/86/83/352708683.db2.gz KLXUNDCAMRYARN-UHFFFAOYSA-N 0 0 231.733 2.379 10 0 BEAERN NC(=O)c1ccc(OC(F)F)cc1Cl ZINC000307628792 352708862 /nfs/dbraw/zinc/70/88/62/352708862.db2.gz USQFIGSUHUXZGY-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN CC(C)(C)c1ccc(C(CO)CO)cc1 ZINC000034133403 187832653 /nfs/dbraw/zinc/83/26/53/187832653.db2.gz MNXMPWKKHMTMJB-UHFFFAOYSA-N 0 0 208.301 2.052 10 0 BEAERN CC(C)C[C@H](C(N)=S)c1ccccn1 ZINC000033754262 187833338 /nfs/dbraw/zinc/83/33/38/187833338.db2.gz ZLCUCARGQQKEGI-VIFPVBQESA-N 0 0 208.330 2.497 10 0 BEAERN CC1(C(=O)Nc2ccc(=O)[nH]c2)CCCC1 ZINC000291718609 187873360 /nfs/dbraw/zinc/87/33/60/187873360.db2.gz PXXTWJNCRUEIJE-UHFFFAOYSA-N 0 0 220.272 2.306 10 0 BEAERN Cn1nc(C(C)(C)C)cc1Br ZINC000222958883 180802210 /nfs/dbraw/zinc/80/22/10/180802210.db2.gz JRMOFIUPINXUJL-UHFFFAOYSA-N 0 0 217.110 2.480 10 0 BEAERN CC(C)(C)CCS(=O)(=O)N1C[C@H]2CCC[C@H]21 ZINC000334302985 352939282 /nfs/dbraw/zinc/93/92/82/352939282.db2.gz AVRXRGSKEARGKW-GHMZBOCLSA-N 0 0 245.388 2.237 10 0 BEAERN Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@H]32)c(=O)[nH]1 ZINC000334317190 352947980 /nfs/dbraw/zinc/94/79/80/352947980.db2.gz UMIZARGSAOPGMC-GHMZBOCLSA-N 0 0 246.310 2.029 10 0 BEAERN Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H]32)c(=O)[nH]1 ZINC000334317195 352948066 /nfs/dbraw/zinc/94/80/66/352948066.db2.gz UMIZARGSAOPGMC-WDEREUQCSA-N 0 0 246.310 2.029 10 0 BEAERN COc1nc([C@]2(C)CCC(=O)C2)cs1 ZINC000307696203 352963876 /nfs/dbraw/zinc/96/38/76/352963876.db2.gz JZNUEOOIXKXQFU-SNVBAGLBSA-N 0 0 211.286 2.162 10 0 BEAERN COc1cc(C[C@@H]2CCC(=O)C2)sn1 ZINC000307693894 352965729 /nfs/dbraw/zinc/96/57/29/352965729.db2.gz YJDLCOZCYSPHEH-SSDOTTSWSA-N 0 0 211.286 2.063 10 0 BEAERN O[C@@H](C[C@@H]1CCOC1)c1sccc1F ZINC000306560101 353025304 /nfs/dbraw/zinc/02/53/04/353025304.db2.gz AZQIQEQLKBWCEF-CBAPKCEASA-N 0 0 216.277 2.347 10 0 BEAERN OCc1c[nH]c(-c2sccc2Cl)n1 ZINC000306618490 353029662 /nfs/dbraw/zinc/02/96/62/353029662.db2.gz SRFSZCQRMXZMPJ-UHFFFAOYSA-N 0 0 214.677 2.284 10 0 BEAERN COC(=O)[C@H](N)c1cc(Cl)sc1Cl ZINC000306345410 353005864 /nfs/dbraw/zinc/00/58/64/353005864.db2.gz OTVMWKSZIAVMEH-RXMQYKEDSA-N 0 0 240.111 2.228 10 0 BEAERN FC1(CNc2ncns2)CCCC1 ZINC000306362937 353007400 /nfs/dbraw/zinc/00/74/00/353007400.db2.gz VQRWOBCWYZCQCQ-UHFFFAOYSA-N 0 0 201.270 2.232 10 0 BEAERN Cc1cc(-c2nnc(CN)s2)cs1 ZINC000307214123 353061000 /nfs/dbraw/zinc/06/10/00/353061000.db2.gz ZDNXVEZOIKASJD-UHFFFAOYSA-N 0 0 211.315 2.034 10 0 BEAERN COc1ccc([C@H](O)C(C)(F)F)s1 ZINC000307341178 353069617 /nfs/dbraw/zinc/06/96/17/353069617.db2.gz UOTOJZGTCXPJNC-ZETCQYMHSA-N 0 0 208.229 2.445 10 0 BEAERN CC[S@](C)(=O)=Nc1cnn(C(C)(C)C)c1 ZINC000536950519 323954468 /nfs/dbraw/zinc/95/44/68/323954468.db2.gz IWYNOFOXSYWWEG-HNNXBMFYSA-N 0 0 229.349 2.387 10 0 BEAERN C[C@H]1C[C@H](n2cc[nH]c2=S)CS1 ZINC000306780208 353038049 /nfs/dbraw/zinc/03/80/49/353038049.db2.gz PPEMJZZLZYTWEX-BQBZGAKWSA-N 0 0 200.332 2.238 10 0 BEAERN Cc1cc(Br)cc(N[S@@](C)=O)c1 ZINC000306795096 353038486 /nfs/dbraw/zinc/03/84/86/353038486.db2.gz GHSQGMFAGBZJBV-GFCCVEGCSA-N 0 0 248.145 2.463 10 0 BEAERN N#CNc1ccc(F)cc1Br ZINC000052832267 353108424 /nfs/dbraw/zinc/10/84/24/353108424.db2.gz PYLQIEUSJUGLIK-UHFFFAOYSA-N 0 0 215.025 2.481 10 0 BEAERN CC[C@]1(Nc2ccnc(Cl)n2)CCOC1 ZINC000307715909 353108723 /nfs/dbraw/zinc/10/87/23/353108723.db2.gz GQJLMBUEJUCABR-JTQLQIEISA-N 0 0 227.695 2.111 10 0 BEAERN CCCCC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000045480218 353110189 /nfs/dbraw/zinc/11/01/89/353110189.db2.gz CONIFWKFCYEBEE-UHFFFAOYSA-N 0 0 249.310 2.280 10 0 BEAERN COC(=O)c1c(CC(C)C)nc2n1CCCC2 ZINC000536952973 323959646 /nfs/dbraw/zinc/95/96/46/323959646.db2.gz GFOHJSJTBSRKKV-UHFFFAOYSA-N 0 0 236.315 2.205 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)C(F)(F)Cl)C1 ZINC000307465760 353078057 /nfs/dbraw/zinc/07/80/57/353078057.db2.gz AKWOGVDGHOHGJX-PHDIDXHHSA-N 0 0 211.639 2.123 10 0 BEAERN CC(=O)NCC(Cl)=C(Cl)Cl ZINC000307756322 353099969 /nfs/dbraw/zinc/09/99/69/353099969.db2.gz HQNMAIFFGCMBMJ-UHFFFAOYSA-N 0 0 202.468 2.008 10 0 BEAERN C[C@@H](CO)Nc1c(F)cccc1Cl ZINC000307734875 353121938 /nfs/dbraw/zinc/12/19/38/353121938.db2.gz PONWLJPJNJLHFV-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN COc1ncc([C@]2(O)C[C@H](C)[C@@H]2C)s1 ZINC000307739448 353122033 /nfs/dbraw/zinc/12/20/33/353122033.db2.gz YVVQOZSZONWUNN-BYULHYEWSA-N 0 0 213.302 2.015 10 0 BEAERN Clc1ccnc([C@H]2CCSC2)n1 ZINC000405136994 353126228 /nfs/dbraw/zinc/12/62/28/353126228.db2.gz JXCLBYHKTXVYKC-LURJTMIESA-N 0 0 200.694 2.351 10 0 BEAERN CCc1cc2nc(COC)cc(Cl)n2n1 ZINC000129445136 353127843 /nfs/dbraw/zinc/12/78/43/353127843.db2.gz PIZJSOVDHDWBIC-UHFFFAOYSA-N 0 0 225.679 2.092 10 0 BEAERN Brc1cc(CN2CC[C@@H]3C[C@@H]32)on1 ZINC000307760754 353130455 /nfs/dbraw/zinc/13/04/55/353130455.db2.gz WVIRYJJJPLCVPA-SVRRBLITSA-N 0 0 243.104 2.031 10 0 BEAERN COc1cc(O)c(Br)cc1C ZINC000215481012 353135921 /nfs/dbraw/zinc/13/59/21/353135921.db2.gz PATNNNHFZNLAQQ-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CC(C)(O)C(=O)c1cscc1Br ZINC000232579295 353137299 /nfs/dbraw/zinc/13/72/99/353137299.db2.gz STWIHQHHSJBPRW-UHFFFAOYSA-N 0 0 249.129 2.464 10 0 BEAERN Clc1nc([C@@H]2CCSC2)ns1 ZINC000405192818 353141992 /nfs/dbraw/zinc/14/19/92/353141992.db2.gz UXWVYJDSAVSLLD-SCSAIBSYSA-N 0 0 206.723 2.412 10 0 BEAERN CC(C)Cc1nc2c(c(=S)[nH]1)CCC2 ZINC000232620435 353146058 /nfs/dbraw/zinc/14/60/58/353146058.db2.gz ZJXVXIOHWLXRSQ-UHFFFAOYSA-N 0 0 208.330 2.453 10 0 BEAERN CCn1nc(C)cc1-c1ccc(C(C)=O)nc1 ZINC000623169903 353146836 /nfs/dbraw/zinc/14/68/36/353146836.db2.gz QKFAQASHAFXXGX-UHFFFAOYSA-N 0 0 229.283 2.476 10 0 BEAERN Cc1nc2c3cccnc3sc2c(N)n1 ZINC000169321619 188078575 /nfs/dbraw/zinc/07/85/75/188078575.db2.gz YCJLHWUDGUXLSF-UHFFFAOYSA-N 0 0 216.269 2.130 10 0 BEAERN Cc1ccc(OCCn2ccnc2C=O)cc1 ZINC000026474025 188081999 /nfs/dbraw/zinc/08/19/99/188081999.db2.gz CJFFXDCSJKPKEL-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN CC(=O)Cc1nc(-c2cccc(F)c2)no1 ZINC000045895112 188085655 /nfs/dbraw/zinc/08/56/55/188085655.db2.gz KSAUZZYZYFBRPE-UHFFFAOYSA-N 0 0 220.203 2.007 10 0 BEAERN CCCC(CCC)C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000401934065 353170222 /nfs/dbraw/zinc/17/02/22/353170222.db2.gz DLDPTLQRMWUSLQ-DGCLKSJQSA-N 0 0 241.375 2.432 10 0 BEAERN CC(C)Cc1noc([C@H](N)C(C)(C)C)n1 ZINC000035411422 188103315 /nfs/dbraw/zinc/10/33/15/188103315.db2.gz ZUDGCVGZZAUQSO-VIFPVBQESA-N 0 0 211.309 2.314 10 0 BEAERN CC(=O)CC(=O)Nc1cnc2ccccc2c1 ZINC000019411601 188107767 /nfs/dbraw/zinc/10/77/67/188107767.db2.gz IQYYSVGUSHQDNY-UHFFFAOYSA-N 0 0 228.251 2.152 10 0 BEAERN CC1CCN(c2cccccc2=O)CC1 ZINC000027990623 188110357 /nfs/dbraw/zinc/11/03/57/188110357.db2.gz VIYCVNGFJFHBTG-UHFFFAOYSA-N 0 0 203.285 2.283 10 0 BEAERN Cc1nccn1-c1ccc(N)c2cccnc21 ZINC000035342157 188111585 /nfs/dbraw/zinc/11/15/85/188111585.db2.gz CKIKNLFIIIZEOQ-UHFFFAOYSA-N 0 0 224.267 2.311 10 0 BEAERN CC(C)[C@H](C)Nc1cc2c(cc1N)CC(=O)N2 ZINC000035345311 188111759 /nfs/dbraw/zinc/11/17/59/188111759.db2.gz CPMDQANXRYRFFM-QMMMGPOBSA-N 0 0 233.315 2.220 10 0 BEAERN C[C@H](Nc1cn[nH]c1)c1ccc(O)cc1 ZINC000035763968 188112090 /nfs/dbraw/zinc/11/20/90/188112090.db2.gz ZODRJVMUMBGCGA-QMMMGPOBSA-N 0 0 203.245 2.288 10 0 BEAERN CC(C)(C)c1csc2nc(CO)cn12 ZINC000036255093 188112123 /nfs/dbraw/zinc/11/21/23/188112123.db2.gz DBPSQBAQWQLCBB-UHFFFAOYSA-N 0 0 210.302 2.186 10 0 BEAERN CC(=O)CC(=O)N(C)CCCc1ccccc1 ZINC000036200428 188112623 /nfs/dbraw/zinc/11/26/23/188112623.db2.gz YNQNVTBMVUTODU-UHFFFAOYSA-N 0 0 233.311 2.057 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N(C)C1CCCCC1 ZINC000036165513 188112707 /nfs/dbraw/zinc/11/27/07/188112707.db2.gz IRQFCCLOVGJXHZ-UHFFFAOYSA-N 0 0 235.331 2.431 10 0 BEAERN CC(C)(C)c1nc([C@@H]2COCCN2)cs1 ZINC000083323699 188122828 /nfs/dbraw/zinc/12/28/28/188122828.db2.gz NBZXHWJODBKHGT-QMMMGPOBSA-N 0 0 226.345 2.102 10 0 BEAERN CCCC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@H](C)C1 ZINC000073654239 188114809 /nfs/dbraw/zinc/11/48/09/188114809.db2.gz HIQZWFQQPUSNTI-MNOVXSKESA-N 0 0 213.321 2.219 10 0 BEAERN Cc1nccc(CNc2ncccc2Cl)n1 ZINC000038038202 188116712 /nfs/dbraw/zinc/11/67/12/188116712.db2.gz ZPURNFZMZJEAGL-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN COC(OC)[C@H]1CCCC(C)(C)C1=O ZINC000122012821 538110454 /nfs/dbraw/zinc/11/04/54/538110454.db2.gz TUUOVUITWWEQIT-QMMMGPOBSA-N 0 0 200.278 2.001 10 0 BEAERN CCOC(OCC)[C@@H]1CCC(C)(C)C1=O ZINC000122013272 538110455 /nfs/dbraw/zinc/11/04/55/538110455.db2.gz XXJCFGOITAZESY-SECBINFHSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)C[S@@](=O)c1nc2ccc(N)cc2o1 ZINC000042375861 188119979 /nfs/dbraw/zinc/11/99/79/188119979.db2.gz FBHWDGFXANIRBG-INIZCTEOSA-N 0 0 238.312 2.174 10 0 BEAERN CC(C)C[S@@](=O)c1c(F)cc(N)cc1F ZINC000042198575 188120018 /nfs/dbraw/zinc/12/00/18/188120018.db2.gz FETIAEKSURBPDT-HNNXBMFYSA-N 0 0 233.283 2.311 10 0 BEAERN CCCCOCC[N@H+](CCC(=O)[O-])C(C)(C)C ZINC000049263915 188124134 /nfs/dbraw/zinc/12/41/34/188124134.db2.gz HPGIBMSZUZBGHZ-UHFFFAOYSA-N 0 0 245.363 2.378 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1cc(F)ccc1Cl ZINC000309119986 538110482 /nfs/dbraw/zinc/11/04/82/538110482.db2.gz STPYOSXAYGKLBJ-JTQLQIEISA-N 0 0 226.638 2.284 10 0 BEAERN CC(C)(C)c1ccnc(-c2nsc(N)n2)c1 ZINC000067173713 188128968 /nfs/dbraw/zinc/12/89/68/188128968.db2.gz DTUGENVYUIAHQV-UHFFFAOYSA-N 0 0 234.328 2.480 10 0 BEAERN CC(C)(O)c1ccnn1Cc1ccccc1 ZINC000075846122 188133719 /nfs/dbraw/zinc/13/37/19/188133719.db2.gz RASAPYUBBBZSCM-UHFFFAOYSA-N 0 0 216.284 2.159 10 0 BEAERN O=C1CCCCC1=S([O-])c1ccccc1 ZINC000081912087 188137637 /nfs/dbraw/zinc/13/76/37/188137637.db2.gz GASJLHBDGBKZPP-SWLSCSKDSA-N 0 0 222.309 2.306 10 0 BEAERN Cn1ccnc1C(=O)c1ccc2c(c1)CCCN2 ZINC000082550032 188138799 /nfs/dbraw/zinc/13/87/99/188138799.db2.gz BBYDCFDWPBQTCA-UHFFFAOYSA-N 0 0 241.294 2.009 10 0 BEAERN CC(C)(C)OC(=O)n1cnc2cc(CO)ccc21 ZINC000085221365 188142993 /nfs/dbraw/zinc/14/29/93/188142993.db2.gz OMKKFGNUTBQFFI-UHFFFAOYSA-N 0 0 248.282 2.312 10 0 BEAERN CC[C@H](O)[C@@H](C)c1nc(-c2ccncc2)no1 ZINC000104156888 188150858 /nfs/dbraw/zinc/15/08/58/188150858.db2.gz PQDOTAPGYXASPC-SCZZXKLOSA-N 0 0 233.271 2.006 10 0 BEAERN COc1ccc(Cl)c(N)c1C(=O)OC(C)C ZINC000043318108 188151645 /nfs/dbraw/zinc/15/16/45/188151645.db2.gz MQZVOPFYPCSECG-UHFFFAOYSA-N 0 0 243.690 2.496 10 0 BEAERN CC(C)C[C@H]1CC[C@](C[NH3+])(CC(=O)[O-])C1 ZINC000045348420 188152343 /nfs/dbraw/zinc/15/23/43/188152343.db2.gz ILWROPVYLIZBFJ-ZYHUDNBSSA-N 0 0 213.321 2.252 10 0 BEAERN CC(=O)N(C)c1cccc(Br)c1 ZINC000118763891 188154199 /nfs/dbraw/zinc/15/41/99/188154199.db2.gz PSIJJCAIPZQSLU-UHFFFAOYSA-N 0 0 228.089 2.432 10 0 BEAERN Cc1cc(N)cnc1N(C)C1CCCC1 ZINC000052812595 188158422 /nfs/dbraw/zinc/15/84/22/188158422.db2.gz PBRSNMAEHJJELV-UHFFFAOYSA-N 0 0 205.305 2.351 10 0 BEAERN Cc1cccc(Oc2cccnn2)c1N ZINC000052831455 188158481 /nfs/dbraw/zinc/15/84/81/188158481.db2.gz CJYQXNJDLNNBAV-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1ccc(N)c(C(=O)N2C[C@H]3CC[C@@H]2C3)c1 ZINC000053003737 188159281 /nfs/dbraw/zinc/15/92/81/188159281.db2.gz LHYIAPCBAOWDRB-WDEREUQCSA-N 0 0 230.311 2.202 10 0 BEAERN CC(=O)N[C@@]12C[C@@H]3C[C@@H](C[C@@](C)(C3)C1)C2 ZINC000103525152 188160061 /nfs/dbraw/zinc/16/00/61/188160061.db2.gz SANVSQCVSVDXSG-WNGYAQOMSA-N 0 0 207.317 2.481 10 0 in-vitro BEAERN CC(C)(C)c1ccc([C@](C)([NH3+])C(=O)[O-])cc1 ZINC000003677057 188161044 /nfs/dbraw/zinc/16/10/44/188161044.db2.gz FUVAFYRFNSRLLB-ZDUSSCGKSA-N 0 0 221.300 2.243 10 0 BEAERN Cc1cccc([C@H](C)SC[C@@H](O)CO)c1 ZINC000177427985 188165103 /nfs/dbraw/zinc/16/51/03/188165103.db2.gz SFKFALLPMWABEG-JQWIXIFHSA-N 0 0 226.341 2.142 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000107727275 188168098 /nfs/dbraw/zinc/16/80/98/188168098.db2.gz JGMUEEPNFFRIKY-NWDGAFQWSA-N 0 0 242.363 2.099 10 0 BEAERN C/C=C(\CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000190151700 188172133 /nfs/dbraw/zinc/17/21/33/188172133.db2.gz WINLKJPAXLCXLM-SYNHDHHQSA-N 0 0 211.305 2.026 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000134355589 538111921 /nfs/dbraw/zinc/11/19/21/538111921.db2.gz DREGKUTYUBDUCQ-SCVCMEIPSA-N 0 0 225.332 2.152 10 0 BEAERN Oc1cc(O)c2c(c1)Oc1c(O)cc(O)cc1O2 ZINC000096912822 188147615 /nfs/dbraw/zinc/14/76/15/188147615.db2.gz YGRMPMIDAOECSI-UHFFFAOYSA-N 0 0 248.190 2.407 10 0 BEAERN CC(C)(C)c1cc(NCc2cc[nH]n2)no1 ZINC000095992297 188148360 /nfs/dbraw/zinc/14/83/60/188148360.db2.gz BDNXVTNIYIJXLN-UHFFFAOYSA-N 0 0 220.276 2.307 10 0 BEAERN CC1(C)COC(c2ccccc2O)OC1 ZINC000197720477 188177535 /nfs/dbraw/zinc/17/75/35/188177535.db2.gz FGHFHLQGZJDPTJ-UHFFFAOYSA-N 0 0 208.257 2.464 10 0 BEAERN Cc1nccn1-c1ccc(Cl)c(N)c1 ZINC000082656003 188178808 /nfs/dbraw/zinc/17/88/08/188178808.db2.gz CJWZXLJPNSMUCQ-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN CC(C)N(C)C(=O)c1ccc(Cl)cc1N ZINC000022215286 188179128 /nfs/dbraw/zinc/17/91/28/188179128.db2.gz PYQAXMNXKTVOQG-UHFFFAOYSA-N 0 0 226.707 2.403 10 0 BEAERN Cc1nc([C@@H]2N[C@@H](C)CS2)cs1 ZINC000126784894 353255016 /nfs/dbraw/zinc/25/50/16/353255016.db2.gz GPEOUHPGPHCAIZ-YLWLKBPMSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1nc(-c2nc(C=O)cs2)cs1 ZINC000126775616 353255180 /nfs/dbraw/zinc/25/51/80/353255180.db2.gz JCPRZOGPOXANIH-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN CC(C)Cc1nc(N)nn1-c1ccccc1 ZINC000064637542 188185835 /nfs/dbraw/zinc/18/58/35/188185835.db2.gz NVODLFYLEXQEFA-UHFFFAOYSA-N 0 0 216.288 2.048 10 0 BEAERN CCc1ccc(O[C@H](C)[C@@H](C)O)c(OC)c1 ZINC000230343410 188186334 /nfs/dbraw/zinc/18/63/34/188186334.db2.gz NCHFCHZOEUSZNG-NXEZZACHSA-N 0 0 224.300 2.406 10 0 BEAERN C[S@@](=N)(=O)c1cccc(Br)c1 ZINC000238856597 188192356 /nfs/dbraw/zinc/19/23/56/188192356.db2.gz WJVBEFFLTYIYPW-LLVKDONJSA-N 0 0 234.118 2.485 10 0 BEAERN c1nc([C@@H]2CCCCN2[C@@H]2C=CCCC2)n[nH]1 ZINC000248591494 188192899 /nfs/dbraw/zinc/19/28/99/188192899.db2.gz RTPJCMUFWGKKPA-NEPJUHHUSA-N 0 0 232.331 2.440 10 0 BEAERN CCC[C@@H](C(=O)NCC1(C)COC1)C(C)C ZINC000121944147 324024379 /nfs/dbraw/zinc/02/43/79/324024379.db2.gz QVQZVRWYAATDRY-LLVKDONJSA-N 0 0 227.348 2.211 10 0 BEAERN FC1(F)CN(CC[C@@H]2CCCO2)CC1(F)F ZINC000335156012 180919062 /nfs/dbraw/zinc/91/90/62/180919062.db2.gz FWUHMOLVZVQKRP-QMMMGPOBSA-N 0 0 241.228 2.142 10 0 BEAERN C[C@H]1CCC[N@H+](CC(C)(C)C(=O)[O-])[C@H]1C ZINC000252196675 363211200 /nfs/dbraw/zinc/21/12/00/363211200.db2.gz SMQAVAQBLDCVMZ-UWVGGRQHSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1OCC[C@@]1(CO)Cc1cccs1 ZINC000127326414 353265882 /nfs/dbraw/zinc/26/58/82/353265882.db2.gz GOPPYXNPWUOZJX-ONGXEEELSA-N 0 0 212.314 2.078 10 0 BEAERN C[C@H]1OCC[C@@]1(CO)Cc1cccs1 ZINC000127326236 353266099 /nfs/dbraw/zinc/26/60/99/353266099.db2.gz GOPPYXNPWUOZJX-KOLCDFICSA-N 0 0 212.314 2.078 10 0 BEAERN CC(C)[C@@H](O)C(=O)c1cc(F)ccc1F ZINC000232719302 353268484 /nfs/dbraw/zinc/26/84/84/353268484.db2.gz UEDVPIIPGJDFGP-SNVBAGLBSA-N 0 0 214.211 2.164 10 0 BEAERN C[C@@H](O)C(C)(C)NC(=O)OCc1ccccc1 ZINC000128478189 353291234 /nfs/dbraw/zinc/29/12/34/353291234.db2.gz OCGFVWWTMWIBQI-SNVBAGLBSA-N 0 0 237.299 2.072 10 0 BEAERN CN1Cc2c(Br)scc2C(=O)C1 ZINC000096983927 188223492 /nfs/dbraw/zinc/22/34/92/188223492.db2.gz FXIKLVVELXQHIE-UHFFFAOYSA-N 0 0 246.129 2.139 10 0 BEAERN COc1cc(Br)ccc1C1([NH3+])CC1 ZINC000096877771 188223535 /nfs/dbraw/zinc/22/35/35/188223535.db2.gz RARMMFISYIGKBM-UHFFFAOYSA-N 0 0 242.116 2.406 10 0 BEAERN Cc1c(Br)[nH]c2c1NC(=O)CCC2 ZINC000096986788 188224045 /nfs/dbraw/zinc/22/40/45/188224045.db2.gz QPTRUSVZHRVWMM-UHFFFAOYSA-N 0 0 243.104 2.360 10 0 BEAERN Cn1ncnc1Sc1ccnc(Cl)c1 ZINC000127935704 353279819 /nfs/dbraw/zinc/27/98/19/353279819.db2.gz MIVJCDVTCPHHHI-UHFFFAOYSA-N 0 0 226.692 2.015 10 0 BEAERN Cc1cc(F)cc2c(=O)n(C)c(Cl)nc12 ZINC000129328014 353309872 /nfs/dbraw/zinc/30/98/72/353309872.db2.gz RJPOPAIRIOUMMI-UHFFFAOYSA-N 0 0 226.638 2.034 10 0 BEAERN CCOc1cccc2c1[nH]c(=S)n2C ZINC000129697831 353326406 /nfs/dbraw/zinc/32/64/06/353326406.db2.gz ZGRXDXATDIZRLR-UHFFFAOYSA-N 0 0 208.286 2.261 10 0 BEAERN F[C@@]1(c2nc([C@H]3CCCS3)no2)CCOC1 ZINC000336393790 180943720 /nfs/dbraw/zinc/94/37/20/180943720.db2.gz IAPOOVBDSMSAFH-XCBNKYQSSA-N 0 0 244.291 2.223 10 0 BEAERN CC(C)[C@H](C)Sc1nc(N)nc(Cl)n1 ZINC000232775408 353394281 /nfs/dbraw/zinc/39/42/81/353394281.db2.gz IRKUMSQZEVXFJP-YFKPBYRVSA-N 0 0 232.740 2.244 10 0 BEAERN CC(C)[C@H](C)Sc1nsc(N)n1 ZINC000232784343 353418707 /nfs/dbraw/zinc/41/87/07/353418707.db2.gz LGAUZKJWKCFNDY-YFKPBYRVSA-N 0 0 203.336 2.257 10 0 BEAERN Cc1cc2c(c(Br)c1)CC(=O)N2 ZINC000091366014 353406169 /nfs/dbraw/zinc/40/61/69/353406169.db2.gz BNBHGOQENUTEBV-UHFFFAOYSA-N 0 0 226.073 2.252 10 0 BEAERN CC(C)[C@H](O)C(C)(C)CNC(=O)N(C)C(C)C ZINC000190865757 353415103 /nfs/dbraw/zinc/41/51/03/353415103.db2.gz QHLJXRQWZJXYAR-NSHDSACASA-N 0 0 244.379 2.079 10 0 BEAERN Fc1ccc(CNc2ccncn2)c(F)c1 ZINC000051017573 180970159 /nfs/dbraw/zinc/97/01/59/180970159.db2.gz FXLMHALBSWCCPC-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Fc1ccc(F)c(NCc2ccncn2)c1 ZINC000054788596 180975083 /nfs/dbraw/zinc/97/50/83/180975083.db2.gz MSNCADXKGNPXCM-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN Cc1nn(C)c(S[C@H](C)C(C)C)c1N ZINC000232807691 353523555 /nfs/dbraw/zinc/52/35/55/353523555.db2.gz JRIGTIVOMURVBW-MRVPVSSYSA-N 0 0 213.350 2.447 10 0 BEAERN Fc1ccc(NC[C@@H]2CCOC2)cc1F ZINC000019918358 180978112 /nfs/dbraw/zinc/97/81/12/180978112.db2.gz GFKVUTHVZMHPSQ-QMMMGPOBSA-N 0 0 213.227 2.413 10 0 BEAERN Cc1cc(N(C)Cc2ccncc2)nnc1C ZINC000302255978 188415611 /nfs/dbraw/zinc/41/56/11/188415611.db2.gz BTCMPKKAGWILDI-UHFFFAOYSA-N 0 0 228.299 2.125 10 0 BEAERN CCc1nc(C)cc(N[C@@](C)(CC)CCO)n1 ZINC000287958376 353594401 /nfs/dbraw/zinc/59/44/01/353594401.db2.gz SQUPGOVRQWGSQD-ZDUSSCGKSA-N 0 0 237.347 2.310 10 0 BEAERN CC1(CNc2nc(Cl)nnc2Cl)CC1 ZINC000232823320 353639170 /nfs/dbraw/zinc/63/91/70/353639170.db2.gz KMYMPKLRWKSXBQ-UHFFFAOYSA-N 0 0 233.102 2.390 10 0 BEAERN C[C@H]1C[C@H]1CNC(=O)NC1CCCCC1 ZINC000136005511 353612165 /nfs/dbraw/zinc/61/21/65/353612165.db2.gz GTCOQSMDCFNTQF-UWVGGRQHSA-N 0 0 210.321 2.274 10 0 BEAERN CC(C)(C)[C@H](Nc1ccc(F)cc1)C(N)=O ZINC000041051710 188476090 /nfs/dbraw/zinc/47/60/90/188476090.db2.gz ONEBOWMALLMDQP-SNVBAGLBSA-N 0 0 224.279 2.138 10 0 BEAERN CC[C@H]1CCCN1C(=O)c1cccc(OC)c1O ZINC000037915244 358479923 /nfs/dbraw/zinc/47/99/23/358479923.db2.gz VJMWOCWRXKGYLZ-JTQLQIEISA-N 0 0 249.310 2.415 10 0 BEAERN CC(C)N(C)C(=O)CCc1cccc(N)c1 ZINC000037222727 188468696 /nfs/dbraw/zinc/46/86/96/188468696.db2.gz HBWBPELYWQOKOR-UHFFFAOYSA-N 0 0 220.316 2.068 10 0 BEAERN Cc1cc(N)cnc1N(C)Cc1ccoc1 ZINC000052813012 188483684 /nfs/dbraw/zinc/48/36/84/188483684.db2.gz XOFUXWBXBORIKM-UHFFFAOYSA-N 0 0 217.272 2.202 10 0 BEAERN Cc1nccc(CNc2cccnc2Cl)n1 ZINC000054790353 188484678 /nfs/dbraw/zinc/48/46/78/188484678.db2.gz TZDIMMGBHHTCTN-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN CC(C)Cc1ccc(CC[C@H]([NH3+])C(=O)[O-])cc1 ZINC000057954551 188485150 /nfs/dbraw/zinc/48/51/50/188485150.db2.gz LXCQMRGHJLUJOO-ZDUSSCGKSA-N 0 0 235.327 2.230 10 0 BEAERN OCc1ccccc1N[C@H]1CCCSC1 ZINC000061587848 188486019 /nfs/dbraw/zinc/48/60/19/188486019.db2.gz HHCVBEWFJZBVML-NSHDSACASA-N 0 0 223.341 2.486 10 0 BEAERN CC[C@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000194871483 353702013 /nfs/dbraw/zinc/70/20/13/353702013.db2.gz UADUCRMAAADTAY-ONGXEEELSA-N 0 0 219.284 2.282 10 0 BEAERN Cc1ccc(Cl)c2nccc(NN)c12 ZINC000232223117 353702878 /nfs/dbraw/zinc/70/28/78/353702878.db2.gz USYILDHMXGWQDN-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN O=[N+]([O-])c1ccccc1C1(CO)CCC1 ZINC000383512585 353710587 /nfs/dbraw/zinc/71/05/87/353710587.db2.gz GBBBVZFEVDDAQB-UHFFFAOYSA-N 0 0 207.229 2.009 10 0 BEAERN NC(=S)c1ccc(OC(F)F)c(F)c1 ZINC000232345776 353713383 /nfs/dbraw/zinc/71/33/83/353713383.db2.gz CFIMIICIVHNIDI-UHFFFAOYSA-N 0 0 221.203 2.061 10 0 BEAERN Fc1cccc(F)c1NCc1c[nH]cn1 ZINC000054763919 181001043 /nfs/dbraw/zinc/00/10/43/181001043.db2.gz CDTSEIXZHMIYPY-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN Fc1cccc(NCc2cncnc2)c1F ZINC000054768045 181001614 /nfs/dbraw/zinc/00/16/14/181001614.db2.gz NYTVXMXCOMTCLW-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN C[C@H](NC(=O)CC1CC1)c1ccc(N)cc1 ZINC000049728731 188481500 /nfs/dbraw/zinc/48/15/00/188481500.db2.gz WZSMCRHVWJTKKR-VIFPVBQESA-N 0 0 218.300 2.246 10 0 BEAERN OCc1ccccc1NCC1CCOCC1 ZINC000052178292 188482673 /nfs/dbraw/zinc/48/26/73/188482673.db2.gz NHUBVCOBVAZYQQ-UHFFFAOYSA-N 0 0 221.300 2.017 10 0 BEAERN CC(=O)Cc1ccc(OC(F)F)cc1 ZINC000095932417 188501328 /nfs/dbraw/zinc/50/13/28/188501328.db2.gz ZZIQGWAMTUGJJR-UHFFFAOYSA-N 0 0 200.184 2.420 10 0 BEAERN Fc1ccccc1NCc1cnccn1 ZINC000054765509 181013876 /nfs/dbraw/zinc/01/38/76/181013876.db2.gz SRDWEHGNASIWFL-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN C[C@@H]1CN(c2cnc3ccc(O)cc3c2)CCO1 ZINC000218903862 353741244 /nfs/dbraw/zinc/74/12/44/353741244.db2.gz OJLJJOKFSLBTOK-SNVBAGLBSA-N 0 0 244.294 2.166 10 0 BEAERN CN(C)c1ccc(O)cc1OCC1CC1 ZINC000095712021 188499619 /nfs/dbraw/zinc/49/96/19/188499619.db2.gz XKTAFSYEGGFRGL-UHFFFAOYSA-N 0 0 207.273 2.247 10 0 BEAERN CNc1cncc(OC2CC2)c1Br ZINC000095728596 188500292 /nfs/dbraw/zinc/50/02/92/188500292.db2.gz JXMCJLCLNHAWIT-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN Fc1cnc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000301765881 181017038 /nfs/dbraw/zinc/01/70/38/181017038.db2.gz HYOLCAGFPIKFAN-GXSJLCMTSA-N 0 0 221.279 2.385 10 0 BEAERN CC(=O)c1c(C)[nH]c(C)c(Br)c1=O ZINC000098179198 188503228 /nfs/dbraw/zinc/50/32/28/188503228.db2.gz LNIQPZBKGFMIDE-UHFFFAOYSA-N 0 0 244.088 2.369 10 0 BEAERN COCc1c(Cl)nnc(Cl)c1COC ZINC000114139287 188508025 /nfs/dbraw/zinc/50/80/25/188508025.db2.gz SLFZVMYSLFHYDV-UHFFFAOYSA-N 0 0 237.086 2.076 10 0 BEAERN CN(Cc1cccc2c1NCC2)CC(F)F ZINC000220368017 353837613 /nfs/dbraw/zinc/83/76/13/353837613.db2.gz FNJPZPXQTIHDDQ-UHFFFAOYSA-N 0 0 226.270 2.352 10 0 BEAERN CCOC(=O)/C(C)=C1/CCS[C@@H]1C ZINC000233675663 353838057 /nfs/dbraw/zinc/83/80/57/353838057.db2.gz FJVBIOPPOBXFTG-XZZQCUQZSA-N 0 0 200.303 2.391 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)CCC1CCCC1 ZINC000305065722 188520070 /nfs/dbraw/zinc/52/00/70/188520070.db2.gz LWPFLVBZIXGVLB-LBPRGKRZSA-N 0 0 241.375 2.480 10 0 BEAERN CC(=O)c1cccc(N)c1Br ZINC000137861403 353843216 /nfs/dbraw/zinc/84/32/16/353843216.db2.gz KXGGXNHNYLVBHW-UHFFFAOYSA-N 0 0 214.062 2.234 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CC1CC(C)(C)C1 ZINC000334533877 353913626 /nfs/dbraw/zinc/91/36/26/353913626.db2.gz RFZNOEVTUKKICU-CMPLNLGQSA-N 0 0 239.359 2.185 10 0 BEAERN CC(C)CC(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334568195 354091399 /nfs/dbraw/zinc/09/13/99/354091399.db2.gz XBCSNGCPOVPEHL-VXGBXAGGSA-N 0 0 237.343 2.060 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)nc1C ZINC000334577024 354110545 /nfs/dbraw/zinc/11/05/45/354110545.db2.gz GZPZLPHLFWLJKC-DGCLKSJQSA-N 0 0 230.311 2.323 10 0 BEAERN C[C@@H]1COCC[C@@H]1c1nnc(Cl)s1 ZINC000301023303 363338053 /nfs/dbraw/zinc/33/80/53/363338053.db2.gz OFKUMDNUEOTPNT-RITPCOANSA-N 0 0 218.709 2.332 10 0 BEAERN COC(=O)c1cc(C)c(Br)cc1N ZINC000224772764 363368331 /nfs/dbraw/zinc/36/83/31/363368331.db2.gz KWLVCIBVZBHJAK-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CCn1c(C)nnc1CS[C@@H]1CCO[C@H]1C ZINC000178854460 366171432 /nfs/dbraw/zinc/17/14/32/366171432.db2.gz RGEZHVSWXIWCCI-WCBMZHEXSA-N 0 0 241.360 2.017 10 0 BEAERN CCCN(CC(C)(C)O)C(=O)[C@H]1CCC[C@H]1C ZINC000344992037 354390027 /nfs/dbraw/zinc/39/00/27/354390027.db2.gz MAMVVRCALJHFDB-NEPJUHHUSA-N 0 0 241.375 2.432 10 0 BEAERN Cc1ccnc(N2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000334732020 354531877 /nfs/dbraw/zinc/53/18/77/354531877.db2.gz ZCILTVMKTRSZOH-STQMWFEESA-N 0 0 244.338 2.395 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)C2=CCCCCC2)C1 ZINC000335122609 354761910 /nfs/dbraw/zinc/76/19/10/354761910.db2.gz QMUVNRWEOVREPE-DGCLKSJQSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1cc([C@@](C)(O)[C@H]2CCOC2)cs1 ZINC000229702172 354902952 /nfs/dbraw/zinc/90/29/52/354902952.db2.gz UVELKWSTTNIULL-ONGXEEELSA-N 0 0 212.314 2.301 10 0 BEAERN Cc1cc([C@](C)(O)[C@@H]2CCOC2)cs1 ZINC000229702168 354903143 /nfs/dbraw/zinc/90/31/43/354903143.db2.gz UVELKWSTTNIULL-MWLCHTKSSA-N 0 0 212.314 2.301 10 0 BEAERN CC(=O)c1cc(N)ccc1N1CCCCC1 ZINC000084010923 355221726 /nfs/dbraw/zinc/22/17/26/355221726.db2.gz SJRCYZLQENUKAJ-UHFFFAOYSA-N 0 0 218.300 2.462 10 0 BEAERN N#[N+]CC(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000100356612 181178535 /nfs/dbraw/zinc/17/85/35/181178535.db2.gz NZJDUFUHUNDMRX-JXMROGBWSA-O 0 0 219.220 2.413 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCCSC1 ZINC000413167460 191360503 /nfs/dbraw/zinc/36/05/03/191360503.db2.gz HRRIEEOCIZEIMM-SNVBAGLBSA-N 0 0 237.372 2.329 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1C[C@@H](C)O[C@@H]1C ZINC000413544759 191394522 /nfs/dbraw/zinc/39/45/22/191394522.db2.gz YWKOUYZFLKNXMD-IJLUTSLNSA-N 0 0 249.358 2.247 10 0 BEAERN COCC1(CNc2nccnc2C(C)C)CCC1 ZINC000413282870 191365709 /nfs/dbraw/zinc/36/57/09/191365709.db2.gz MRGPWAJCCWWZJS-UHFFFAOYSA-N 0 0 249.358 2.251 10 0 BEAERN CCOC(C)(C)CNc1nccnc1C(C)C ZINC000413245815 191365786 /nfs/dbraw/zinc/36/57/86/191365786.db2.gz KBGKZOSRIDFOEW-UHFFFAOYSA-N 0 0 237.347 2.249 10 0 BEAERN Cc1cnc([C@@H](C)Nc2nccnc2C(C)C)o1 ZINC000413243705 191365981 /nfs/dbraw/zinc/36/59/81/191365981.db2.gz VSDVPQCKNLPZCX-SNVBAGLBSA-N 0 0 246.314 2.491 10 0 BEAERN CC(C)c1nccnc1NCCCCCO ZINC000413269726 191367625 /nfs/dbraw/zinc/36/76/25/191367625.db2.gz PZWORNIPQGPVTD-UHFFFAOYSA-N 0 0 223.320 2.175 10 0 BEAERN C[C@@H]1CN([C@@H]2CCOC2)c2ccccc21 ZINC000335777448 355403109 /nfs/dbraw/zinc/40/31/09/355403109.db2.gz DIOQHHCCMFVMQX-GHMZBOCLSA-N 0 0 203.285 2.399 10 0 BEAERN N=C(NCC1CC1)C(Cl)(Cl)Cl ZINC000169323750 181199160 /nfs/dbraw/zinc/19/91/60/181199160.db2.gz ADWCHHJWPXMHRU-UHFFFAOYSA-N 0 0 215.511 2.333 10 0 BEAERN CCOC(=O)Nc1cccnc1Cl ZINC000006046960 355713802 /nfs/dbraw/zinc/71/38/02/355713802.db2.gz WJJVYBZYDSORME-UHFFFAOYSA-N 0 0 200.625 2.303 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N1C[C@H]2CCC[C@H]21 ZINC000350699545 355742920 /nfs/dbraw/zinc/74/29/20/355742920.db2.gz HKZXBZUZXBNHAA-GMTAPVOTSA-N 0 0 225.332 2.201 10 0 BEAERN NC(=O)C1(Nc2cccc(F)c2)CCCC1 ZINC000037945004 181215151 /nfs/dbraw/zinc/21/51/51/181215151.db2.gz QWTNPWNHVHEOMZ-UHFFFAOYSA-N 0 0 222.263 2.036 10 0 BEAERN NC(=O)C1(Nc2ccccc2Cl)CCC1 ZINC000037942396 181215520 /nfs/dbraw/zinc/21/55/20/181215520.db2.gz MFPGIFWWGCVRKG-UHFFFAOYSA-N 0 0 224.691 2.160 10 0 BEAERN CCOC[C@H]1CCCN(C(=O)CCSC)C1 ZINC000113831203 355978294 /nfs/dbraw/zinc/97/82/94/355978294.db2.gz WDQPGEDJNGMVPA-NSHDSACASA-N 0 0 245.388 2.015 10 0 BEAERN CC(C)=CC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113892189 355994440 /nfs/dbraw/zinc/99/44/40/355994440.db2.gz PVDGPMZKNCFXIZ-LBPRGKRZSA-N 0 0 233.315 2.430 10 0 BEAERN C[C@@H]1CC[C@H](NC2N=NC(=S)S2)C1 ZINC000129713106 355944984 /nfs/dbraw/zinc/94/49/84/355944984.db2.gz DWOAVKNKLRKXMO-RITPCOANSA-N 0 0 215.347 2.427 10 0 BEAERN NC(=O)CCCc1c[nH]c2ccc(F)cc12 ZINC000095601564 181223312 /nfs/dbraw/zinc/22/33/12/181223312.db2.gz JJHSQHURQRBAQA-UHFFFAOYSA-N 0 0 220.247 2.115 10 0 BEAERN O=C([C@H]1CC12CCCCC2)N1CCCOCC1 ZINC000336075844 134073129 /nfs/dbraw/zinc/07/31/29/134073129.db2.gz VMORCGSOBMHUAT-GFCCVEGCSA-N 0 0 237.343 2.206 10 0 BEAERN NC(=O)COc1ccc(NCC2CCCC2)cc1 ZINC000050271712 181239118 /nfs/dbraw/zinc/23/91/18/181239118.db2.gz QRHCPASAQZRYBX-UHFFFAOYSA-N 0 0 248.326 2.153 10 0 BEAERN O=c1cc(COc2ccccc2)[nH]c(=S)[nH]1 ZINC000029233986 356119505 /nfs/dbraw/zinc/11/95/05/356119505.db2.gz GZLSTPJCIVNYST-UHFFFAOYSA-N 0 0 234.280 2.011 10 0 BEAERN O=C(N[C@H]1CCC12CCCC2)C1(O)CCCC1 ZINC000336114650 134087779 /nfs/dbraw/zinc/08/77/79/134087779.db2.gz MPJHRQZOWKDHOA-NSHDSACASA-N 0 0 237.343 2.131 10 0 BEAERN NC(=O)Nc1ccc(Br)s1 ZINC000077331520 181262806 /nfs/dbraw/zinc/26/28/06/181262806.db2.gz RZTRFAHLKBBPGM-UHFFFAOYSA-N 0 0 221.079 2.001 10 0 BEAERN NC(=O)Nc1nsc2ccc(Cl)cc21 ZINC000006094069 181263705 /nfs/dbraw/zinc/26/37/05/181263705.db2.gz VBOUWBFPRNDVBC-UHFFFAOYSA-N 0 0 227.676 2.440 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)c1ccc(O)cc1 ZINC000037941904 181266408 /nfs/dbraw/zinc/26/64/08/181266408.db2.gz VWWPRPUWKOAIOI-ZDUSSCGKSA-N 0 0 242.278 2.031 10 0 BEAERN NC(=O)[C@@H](Nc1ccc(F)cc1)[C@@H]1CC=CCC1 ZINC000037942780 181266672 /nfs/dbraw/zinc/26/66/72/181266672.db2.gz GYSQVCMOHHGYCG-MFKMUULPSA-N 0 0 248.301 2.448 10 0 BEAERN COc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(O)c1 ZINC000336143816 134101443 /nfs/dbraw/zinc/10/14/43/134101443.db2.gz YTSVPBQTWNFTCK-CABZTGNLSA-N 0 0 247.294 2.025 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)c1ccc(O)cc1 ZINC000037941905 181278764 /nfs/dbraw/zinc/27/87/64/181278764.db2.gz VWWPRPUWKOAIOI-CYBMUJFWSA-N 0 0 242.278 2.031 10 0 BEAERN CN(C#N)Cc1cc(Br)cs1 ZINC000168182182 356537195 /nfs/dbraw/zinc/53/71/95/356537195.db2.gz YJUASKXRKJLQPW-UHFFFAOYSA-N 0 0 231.118 2.423 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ncnc3ccsc32)C1 ZINC000613537568 363477212 /nfs/dbraw/zinc/47/72/12/363477212.db2.gz GQXADGLYZPDWNP-IUCAKERBSA-N 0 0 249.339 2.407 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2ncnc3ccccc32)C1 ZINC000613537951 363478684 /nfs/dbraw/zinc/47/86/84/363478684.db2.gz KWXGDSSSPVWHDT-WDEREUQCSA-N 0 0 243.310 2.345 10 0 BEAERN CC(C)COc1ccc2c(c1)CC(=O)N2 ZINC000238160026 363483786 /nfs/dbraw/zinc/48/37/86/363483786.db2.gz LRPUPRJXXOGYOY-UHFFFAOYSA-N 0 0 205.257 2.216 10 0 BEAERN CCO[C@@H](C)C(=O)NC1CCC(CC)CC1 ZINC000129977729 325000209 /nfs/dbraw/zinc/00/02/09/325000209.db2.gz JKHAWWBWIBRLLX-UNXYVOJBSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCCOc2ccccc21 ZINC000675057652 538479939 /nfs/dbraw/zinc/47/99/39/538479939.db2.gz HFOAJLBIWYGNGN-GFCCVEGCSA-N 0 0 249.310 2.051 10 0 BEAERN O=Cc1ccc(-c2cncc(C=O)c2)s1 ZINC000675058141 538480580 /nfs/dbraw/zinc/48/05/80/538480580.db2.gz UVMRNMMFUCWOJR-UHFFFAOYSA-N 0 0 217.249 2.435 10 0 BEAERN OC[C@H]1CC[C@H](c2ccccc2F)CO1 ZINC000675058640 538482209 /nfs/dbraw/zinc/48/22/09/538482209.db2.gz QHCCPBVXCOUVTP-VHSXEESVSA-N 0 0 210.248 2.081 10 0 BEAERN Cc1nn(C)cc1-c1ccc(F)c(N)c1F ZINC000675056152 538477510 /nfs/dbraw/zinc/47/75/10/538477510.db2.gz FDEDVMBXROZXIY-UHFFFAOYSA-N 0 0 223.226 2.256 10 0 BEAERN C[C@@H]1CC[C@H]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000675059820 538484903 /nfs/dbraw/zinc/48/49/03/538484903.db2.gz NMAKUUUZVLYBOE-NAWOPXAZSA-N 0 0 239.359 2.369 10 0 BEAERN O=C([O-])[C@H]1CC[C@@H](C2CCCCCC2)C[NH2+]1 ZINC000675060085 538486253 /nfs/dbraw/zinc/48/62/53/538486253.db2.gz RQJBFHQJVGBEBI-VXGBXAGGSA-N 0 0 225.332 2.410 10 0 BEAERN CCCc1cn2c(n1)[C@@H](C(F)(F)F)NCCC2 ZINC000675068075 538495701 /nfs/dbraw/zinc/49/57/01/538495701.db2.gz MLWHTZJCDXJMBJ-VIFPVBQESA-N 0 0 247.264 2.432 10 0 BEAERN CC(C)(C)[C@@H]1CCC[C@H](S(N)(=O)=O)CC1 ZINC000083438778 538499387 /nfs/dbraw/zinc/49/93/87/538499387.db2.gz PIVXYKZLLYPJRV-ZJUUUORDSA-N 0 0 233.377 2.270 10 0 BEAERN Cc1cn2c(n1)[C@@H](c1ccsc1)NCCC2 ZINC000675069897 538499501 /nfs/dbraw/zinc/49/95/01/538499501.db2.gz ZCFNCYNMTYTHCU-LLVKDONJSA-N 0 0 233.340 2.336 10 0 BEAERN CC[C@@H](C)N=[S@@](=O)(NC)c1cccc(N)c1 ZINC000675076169 538510630 /nfs/dbraw/zinc/51/06/30/538510630.db2.gz UXGSMWIWRVXXMJ-ABKXIKBNSA-N 0 0 241.360 2.029 10 0 BEAERN CCCCC[C@@H]1[NH2+][C@H](CC(=O)[O-])CS1 ZINC000675078220 538514967 /nfs/dbraw/zinc/51/49/67/538514967.db2.gz CEKSYUHAMKWVJI-RKDXNWHRSA-N 0 0 217.334 2.073 10 0 BEAERN O=C(CC1CC1)[C@H]1Cc2ccc(F)cc2O1 ZINC000675080310 538519771 /nfs/dbraw/zinc/51/97/71/538519771.db2.gz BVBQVAFAIYCYCW-CYBMUJFWSA-N 0 0 220.243 2.498 10 0 BEAERN O=C(CC1CC1)[C@H]1Cc2cc(F)ccc2O1 ZINC000675081117 538520715 /nfs/dbraw/zinc/52/07/15/538520715.db2.gz HOAFMHGCSVOXCX-CYBMUJFWSA-N 0 0 220.243 2.498 10 0 BEAERN CC(C)C(=O)[C@@H]1Cc2ccc(F)c(F)c2O1 ZINC000675081252 538521095 /nfs/dbraw/zinc/52/10/95/538521095.db2.gz OHSBBPFUCOLSMU-VIFPVBQESA-N 0 0 226.222 2.493 10 0 BEAERN CCCC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000675081295 538521199 /nfs/dbraw/zinc/52/11/99/538521199.db2.gz PPFKCVPSQYYPLP-NSHDSACASA-N 0 0 208.232 2.498 10 0 BEAERN CCCC(=O)[C@H]1Cc2ccc(OC)cc2O1 ZINC000675081596 538522328 /nfs/dbraw/zinc/52/23/28/538522328.db2.gz UYELJEYREGQQHK-CYBMUJFWSA-N 0 0 220.268 2.368 10 0 BEAERN Cc1ccc2c(n1)C[C@@H](C(=O)CC(C)C)O2 ZINC000675081556 538522470 /nfs/dbraw/zinc/52/24/70/538522470.db2.gz SMNWUHBQUYVISC-ZDUSSCGKSA-N 0 0 219.284 2.309 10 0 BEAERN CC(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000675081543 538522748 /nfs/dbraw/zinc/52/27/48/538522748.db2.gz RTDHVWTZVJMJIL-LLVKDONJSA-N 0 0 208.232 2.354 10 0 BEAERN Nc1nn(CCC[C@@H]2CCCO2)cc1Cl ZINC000083526967 538512743 /nfs/dbraw/zinc/51/27/43/538512743.db2.gz INXIQSMVZOXWKN-MRVPVSSYSA-N 0 0 229.711 2.078 10 0 BEAERN CC[C@@H]1CCC[C@]2(CC1)O[C@H]2C(=O)OC ZINC000084324191 538530622 /nfs/dbraw/zinc/53/06/22/538530622.db2.gz WSGKCCMKDCUCOV-JFGNBEQYSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@H]1O[C@@]12CCCC(C)(C)CC2 ZINC000084324164 538531290 /nfs/dbraw/zinc/53/12/90/538531290.db2.gz HRVADCAOCIVARP-BXKDBHETSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)C[C@@H]1CCNc2c(F)cccc21 ZINC000084782719 538534498 /nfs/dbraw/zinc/53/44/98/538534498.db2.gz IHDJWBQPFYQYQV-QMMMGPOBSA-N 0 0 223.247 2.288 10 0 BEAERN Cc1ccc(C(=O)CSCCCO)cc1 ZINC000085163972 538536160 /nfs/dbraw/zinc/53/61/60/538536160.db2.gz JNNXNLOIGSKZJQ-UHFFFAOYSA-N 0 0 224.325 2.293 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCCC(C)(C)C2 ZINC000085657826 538545364 /nfs/dbraw/zinc/54/53/64/538545364.db2.gz OJWMMIVGYDUMJH-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCCCC2(C)C ZINC000086849307 538561151 /nfs/dbraw/zinc/56/11/51/538561151.db2.gz KGBRSDVARKQQIR-CABZTGNLSA-N 0 0 212.289 2.287 10 0 BEAERN O=C(CSC1COC1)c1ccccc1 ZINC000086195457 538551653 /nfs/dbraw/zinc/55/16/53/538551653.db2.gz BOWTWALFKJOCOZ-UHFFFAOYSA-N 0 0 208.282 2.001 10 0 BEAERN Cc1cc(=O)n(CCC(C)(C)C)cc1N ZINC000086237607 538553889 /nfs/dbraw/zinc/55/38/89/538553889.db2.gz SCRUTIKRMOLZAV-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN CCOC(=O)c1ccnc(C2CCCC2)n1 ZINC000162032918 538557551 /nfs/dbraw/zinc/55/75/51/538557551.db2.gz BCBROXNZKYZPBB-UHFFFAOYSA-N 0 0 220.272 2.311 10 0 BEAERN O=C(CC1CC1)[C@H]1Cc2ccccc2O1 ZINC000125945624 538527648 /nfs/dbraw/zinc/52/76/48/538527648.db2.gz RQHGPGCBDUUEIS-CYBMUJFWSA-N 0 0 202.253 2.359 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCCC[C@@H]2C(C)C ZINC000125956099 538527679 /nfs/dbraw/zinc/52/76/79/538527679.db2.gz KMZIADNMBYHSJL-SCVCMEIPSA-N 0 0 212.289 2.143 10 0 BEAERN O=c1[nH]c(Cl)nc2c(F)cc(F)cc12 ZINC000129368294 538574540 /nfs/dbraw/zinc/57/45/40/538574540.db2.gz AYJQTYWJALDBLZ-UHFFFAOYSA-N 0 0 216.574 2.267 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000089570677 538582010 /nfs/dbraw/zinc/58/20/10/538582010.db2.gz PDRCKPIVSQXTMS-JOYOIKCWSA-N 0 0 246.310 2.151 10 0 BEAERN CCc1nn(CC2CCC2)c(CC)c1N ZINC000132660074 538599276 /nfs/dbraw/zinc/59/92/76/538599276.db2.gz OJPXCPWLTBBQLZ-UHFFFAOYSA-N 0 0 207.321 2.390 10 0 BEAERN CCCC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405725275 538600461 /nfs/dbraw/zinc/60/04/61/538600461.db2.gz RDRIJWMZOOXAIO-UHFFFAOYSA-N 0 0 227.304 2.413 10 0 BEAERN CC(C)(C)OC(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000094755560 538603380 /nfs/dbraw/zinc/60/33/80/538603380.db2.gz YVDJUONOCCMRCH-RMKNXTFCSA-N 0 0 247.294 2.140 10 0 BEAERN Cc1cccc(CNC(=O)CC(C)(C)C)n1 ZINC000130332527 325041452 /nfs/dbraw/zinc/04/14/52/325041452.db2.gz DNMGPTKYKCQNQR-UHFFFAOYSA-N 0 0 220.316 2.442 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)C1CCC1 ZINC000095644739 538610553 /nfs/dbraw/zinc/61/05/53/538610553.db2.gz FNKKVIQAHDYTJT-MRVPVSSYSA-N 0 0 227.304 2.269 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC[C@@H](C)[C@@H]2C ZINC000227199524 538617234 /nfs/dbraw/zinc/61/72/34/538617234.db2.gz KLDNXGCAPDJNML-QCZKYFFMSA-N 0 0 212.289 2.143 10 0 BEAERN CC(C)=CC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000080512964 535344274 /nfs/dbraw/zinc/34/42/74/535344274.db2.gz UCWRNQZVHLPVAW-OLZOCXBDSA-N 0 0 247.342 2.449 10 0 BEAERN CC(=O)c1ccc(N(CCO)C(C)C)c(F)c1 ZINC000042479714 166462426 /nfs/dbraw/zinc/46/24/26/166462426.db2.gz GXYUXFFQVSXQCZ-UHFFFAOYSA-N 0 0 239.290 2.235 10 0 BEAERN CNC(=O)CNc1c(C)cc(C)cc1Cl ZINC000011723223 538704492 /nfs/dbraw/zinc/70/44/92/538704492.db2.gz ZZUDDLBQIFUMDS-UHFFFAOYSA-N 0 0 226.707 2.115 10 0 BEAERN NC(=O)c1cc(N)ccc1OCc1cccs1 ZINC000049585828 181289455 /nfs/dbraw/zinc/28/94/55/181289455.db2.gz SPTADAQQKAMOLV-UHFFFAOYSA-N 0 0 248.307 2.008 10 0 BEAERN CC(C)CNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117565172 356980991 /nfs/dbraw/zinc/98/09/91/356980991.db2.gz SAFZOWAYROPYQZ-GXFFZTMASA-N 0 0 233.311 2.323 10 0 BEAERN CC1CCC([C@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC1 ZINC000257757685 538753466 /nfs/dbraw/zinc/75/34/66/538753466.db2.gz ARQJSXXEMYSSBD-HCWSGVFWSA-N 0 0 225.332 2.123 10 0 BEAERN CCN(C)c1cc(Br)nc(C)n1 ZINC000160549263 357050336 /nfs/dbraw/zinc/05/03/36/357050336.db2.gz XASYNUNKKOPXTH-UHFFFAOYSA-N 0 0 230.109 2.004 10 0 BEAERN CC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000257848739 538769420 /nfs/dbraw/zinc/76/94/20/538769420.db2.gz AUNFXUJNPSDYCE-UHFFFAOYSA-N 0 0 227.304 2.413 10 0 BEAERN CC[C@H](C)N(C)c1cc(Br)ncn1 ZINC000160556870 357061980 /nfs/dbraw/zinc/06/19/80/357061980.db2.gz SDNWKJBHQRZLQM-ZETCQYMHSA-N 0 0 244.136 2.474 10 0 BEAERN C=CS(=O)(=O)c1ncc(Cl)cc1Cl ZINC000035322437 357070328 /nfs/dbraw/zinc/07/03/28/357070328.db2.gz NAHDLNQKHUBODM-UHFFFAOYSA-N 0 0 238.095 2.306 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@H](C2CC2)C1 ZINC000399963690 357135829 /nfs/dbraw/zinc/13/58/29/357135829.db2.gz ABANKSWZECRSGH-RVMXOQNASA-N 0 0 219.328 2.291 10 0 BEAERN Cc1ccc(CNc2nccnc2C(C)C)nc1 ZINC000582417649 357139800 /nfs/dbraw/zinc/13/98/00/357139800.db2.gz KRJIJTOBYJXXQE-UHFFFAOYSA-N 0 0 242.326 2.337 10 0 BEAERN O[C@@H]1CCOc2c(Br)ccc(F)c21 ZINC000160646717 357156809 /nfs/dbraw/zinc/15/68/09/357156809.db2.gz TWJDKGDRHTXEHX-SSDOTTSWSA-N 0 0 247.063 2.404 10 0 BEAERN CCCC[C@H](C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000374392076 357159459 /nfs/dbraw/zinc/15/94/59/357159459.db2.gz YKGXDODNKCQJAK-QWHCGFSZSA-N 0 0 241.375 2.434 10 0 BEAERN C[C@@H]1O[C@@]1(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000552133 357166174 /nfs/dbraw/zinc/16/61/74/357166174.db2.gz PHJIDIOTCJJTEN-NJLYSFOLSA-N 0 0 247.250 2.355 10 0 BEAERN Clc1nc(Cc2cccs2)no1 ZINC000053749995 357166960 /nfs/dbraw/zinc/16/69/60/357166960.db2.gz PACBBAQAYPVOJV-UHFFFAOYSA-N 0 0 200.650 2.375 10 0 BEAERN CCOC1CC(Nc2ccc(Cl)nn2)C1 ZINC000223951218 357167625 /nfs/dbraw/zinc/16/76/25/357167625.db2.gz MWCHYKICTBZWGL-UHFFFAOYSA-N 0 0 227.695 2.109 10 0 BEAERN S=C1N=NC(c2ccc(Cl)s2)N1 ZINC000035323153 357127119 /nfs/dbraw/zinc/12/71/19/357127119.db2.gz JDRYOLWHBDTMRL-UHFFFAOYSA-N 0 0 217.706 2.475 10 0 BEAERN FC1(F)C[C@H]1COc1cnc(Cl)nc1 ZINC000168741226 357203084 /nfs/dbraw/zinc/20/30/84/357203084.db2.gz KASDQXUMVKHQSV-YFKPBYRVSA-N 0 0 220.606 2.164 10 0 BEAERN CC(C)(C)n1nc2c(c1N)CSCC2 ZINC000259544707 538823552 /nfs/dbraw/zinc/82/35/52/538823552.db2.gz UEBDFIKQZPBBAD-UHFFFAOYSA-N 0 0 211.334 2.010 10 0 BEAERN O[C@@H](C1=CCCO1)c1ccc(Cl)nc1 ZINC000168706326 357258640 /nfs/dbraw/zinc/25/86/40/357258640.db2.gz YPWKDSJUBQHEFC-SNVBAGLBSA-N 0 0 211.648 2.073 10 0 BEAERN C=C/C=C(\C)C[C@H]1CCN[C@@H](C(=O)OC)C1 ZINC000039941334 491110698 /nfs/dbraw/zinc/11/06/98/491110698.db2.gz QZRWYSGSJJMKIZ-VDUSXYPOSA-N 0 0 223.316 2.050 10 0 BEAERN C[C@H](C#N)c1ccc(Br)cn1 ZINC000216812499 357468523 /nfs/dbraw/zinc/46/85/23/357468523.db2.gz HLUCIQJFKNSPBK-ZCFIWIBFSA-N 0 0 211.062 2.471 10 0 BEAERN OCc1ccc(Cl)c(OC(F)F)c1 ZINC000168877456 357516819 /nfs/dbraw/zinc/51/68/19/357516819.db2.gz LKDWHBSLGQRTGY-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN CCN(CC(C)C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000188299946 357538554 /nfs/dbraw/zinc/53/85/54/357538554.db2.gz GGQYJMRGPQTPAP-VXGBXAGGSA-N 0 0 227.348 2.306 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000188561797 357561856 /nfs/dbraw/zinc/56/18/56/357561856.db2.gz SYBXTUGXYCDFNX-JHJVBQTASA-N 0 0 239.359 2.450 10 0 BEAERN CCC(C)(CC)C(=O)NCCn1cc(C)cn1 ZINC000159073284 538873727 /nfs/dbraw/zinc/87/37/27/538873727.db2.gz XNBSSFHOSOZIRG-UHFFFAOYSA-N 0 0 237.347 2.134 10 0 BEAERN NC(=O)c1cc(OCC2CCCCC2)ccc1N ZINC000052155374 181292010 /nfs/dbraw/zinc/29/20/10/181292010.db2.gz BJVRWJNRLJCFOH-UHFFFAOYSA-N 0 0 248.326 2.327 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ccnc(N(C)C)n1 ZINC000231663948 357618307 /nfs/dbraw/zinc/61/83/07/357618307.db2.gz JKAZSBKQGITOIZ-VHSXEESVSA-N 0 0 220.320 2.143 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@@H]1CCCO[C@H]1C ZINC000189529695 357642809 /nfs/dbraw/zinc/64/28/09/357642809.db2.gz NZKWVTBDSTUXCF-VHSXEESVSA-N 0 0 249.301 2.304 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(C)CCC1CC1 ZINC000189645763 357651483 /nfs/dbraw/zinc/65/14/83/357651483.db2.gz ULRJLDNCAZGTJM-ZYHUDNBSSA-N 0 0 225.332 2.060 10 0 BEAERN Nc1ccc(N2CCCC2)cc1OC(F)F ZINC000685950203 538893314 /nfs/dbraw/zinc/89/33/14/538893314.db2.gz KMVWNWOOIMKXAI-UHFFFAOYSA-N 0 0 228.242 2.470 10 0 BEAERN COCC1N=NC(=S)N1C1CCCCC1 ZINC000685950279 538893408 /nfs/dbraw/zinc/89/34/08/538893408.db2.gz VMXKBEDWMFBLAZ-UHFFFAOYSA-N 0 0 227.333 2.218 10 0 BEAERN CCCCn1c(C(F)F)n[nH]c1=S ZINC000685950050 538893526 /nfs/dbraw/zinc/89/35/26/538893526.db2.gz MBJPTEWRWSUVCL-UHFFFAOYSA-N 0 0 207.249 2.305 10 0 BEAERN FC(F)CN1C(=S)N=NC1C1CCCC1 ZINC000685950164 538893642 /nfs/dbraw/zinc/89/36/42/538893642.db2.gz QBWCFOFBBOZLLP-UHFFFAOYSA-N 0 0 233.287 2.490 10 0 BEAERN CCOCCN1C(=S)N=NC1CC(C)(C)C ZINC000685950238 538893674 /nfs/dbraw/zinc/89/36/74/538893674.db2.gz SYODZWSCCSEWFK-UHFFFAOYSA-N 0 0 243.376 2.192 10 0 BEAERN COC(=O)[C@H]1Cc2cc(Cl)cc(C)c2O1 ZINC000685951810 538895132 /nfs/dbraw/zinc/89/51/32/538895132.db2.gz FYEYPKJYKKKHQU-SECBINFHSA-N 0 0 226.659 2.125 10 0 BEAERN Cn1cccc1C(=O)c1ccc(F)cc1 ZINC000106881042 363587404 /nfs/dbraw/zinc/58/74/04/363587404.db2.gz CLUVKMVNYVQAME-UHFFFAOYSA-N 0 0 203.216 2.395 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nc(OC)cc(OC)n1 ZINC000233446736 357723588 /nfs/dbraw/zinc/72/35/88/357723588.db2.gz ZCGFOBCRLBBFEN-IUCAKERBSA-N 0 0 237.303 2.094 10 0 BEAERN CCC(CC)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190396753 357696211 /nfs/dbraw/zinc/69/62/11/357696211.db2.gz XAWVEXLQXFKJDR-MWLCHTKSSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190375415 357703987 /nfs/dbraw/zinc/70/39/87/357703987.db2.gz IEXSIASYXJTHCT-IUCAKERBSA-N 0 0 210.277 2.297 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000190744831 357730284 /nfs/dbraw/zinc/73/02/84/357730284.db2.gz GTXXLDBACUFWAA-GFCCVEGCSA-N 0 0 238.375 2.119 10 0 BEAERN CCCN(C(=O)[C@H]1CCCO[C@H]1C)C1CC1 ZINC000191254146 357760317 /nfs/dbraw/zinc/76/03/17/357760317.db2.gz LYSSWFUKQASBRA-JQWIXIFHSA-N 0 0 225.332 2.203 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191318105 357765945 /nfs/dbraw/zinc/76/59/45/357765945.db2.gz XYXMLGXFROPXMZ-NSHDSACASA-N 0 0 247.338 2.463 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000191742874 357792437 /nfs/dbraw/zinc/79/24/37/357792437.db2.gz HVYNCLWJXMXMTO-MNOVXSKESA-N 0 0 227.348 2.496 10 0 BEAERN C/C=C(\CC)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000191767485 357795016 /nfs/dbraw/zinc/79/50/16/357795016.db2.gz XYCAOIQBVYWCQY-QDEBKDIKSA-N 0 0 247.342 2.472 10 0 BEAERN O[C@H]1CCCC[C@H]1n1nccc1-c1cccnc1 ZINC000193094797 357867410 /nfs/dbraw/zinc/86/74/10/357867410.db2.gz QBZSSCUKROELJR-KGLIPLIRSA-N 0 0 243.310 2.421 10 0 BEAERN Oc1ccc(NCC2(O)CCCC2)cc1 ZINC000584406651 357913312 /nfs/dbraw/zinc/91/33/12/357913312.db2.gz WXGPQHSCWJCZHG-UHFFFAOYSA-N 0 0 207.273 2.109 10 0 BEAERN CCc1cc(Cl)nc(C[C@@H]2CCOC2)n1 ZINC000168928494 358000366 /nfs/dbraw/zinc/00/03/66/358000366.db2.gz IAKZIEWWSVRRRP-QMMMGPOBSA-N 0 0 226.707 2.271 10 0 BEAERN O=C(c1cc[nH]c1)c1ccc2c(c1)CCO2 ZINC000038221254 358140896 /nfs/dbraw/zinc/14/08/96/358140896.db2.gz YLHVWOVYBMSNRU-UHFFFAOYSA-N 0 0 213.236 2.181 10 0 BEAERN CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000172111023 134262150 /nfs/dbraw/zinc/26/21/50/134262150.db2.gz XRKZGDILZJESCV-VIFPVBQESA-N 0 0 208.261 2.146 10 0 BEAERN CC/C=C/CS(=O)(=O)c1ccccc1 ZINC000039368501 358223690 /nfs/dbraw/zinc/22/36/90/358223690.db2.gz NZMVQOQUPODABO-XVNBXDOJSA-N 0 0 210.298 2.427 10 0 BEAERN Cc1cc(=O)n(-c2cccc(Cl)c2)n1C ZINC000039472001 358229759 /nfs/dbraw/zinc/22/97/59/358229759.db2.gz DHOMKNIEDLOHEY-UHFFFAOYSA-N 0 0 222.675 2.138 10 0 BEAERN O=Cc1ccc(Cc2cccnc2)cc1O ZINC000039619833 358231399 /nfs/dbraw/zinc/23/13/99/358231399.db2.gz FYCOHDBTNWYLMX-UHFFFAOYSA-N 0 0 213.236 2.191 10 0 BEAERN CC(=O)CCCNC(=O)c1ccccc1C ZINC000224360531 358232782 /nfs/dbraw/zinc/23/27/82/358232782.db2.gz QPKILIRSKJMVPZ-UHFFFAOYSA-N 0 0 219.284 2.094 10 0 BEAERN CC(=O)NCCCCc1ccc(NC(C)=O)cc1 ZINC000584590982 358248969 /nfs/dbraw/zinc/24/89/69/358248969.db2.gz FNYJHRBTWQRGNC-UHFFFAOYSA-N 0 0 248.326 2.104 10 0 BEAERN CCCc1cc(NC(=O)c2ccc(F)cn2)n[nH]1 ZINC000131537987 535411435 /nfs/dbraw/zinc/41/14/35/535411435.db2.gz XTNAYWITLCOXIR-UHFFFAOYSA-N 0 0 248.261 2.149 10 0 BEAERN Cc1cc(C=O)ccc1[C@@H](O)c1cccnc1 ZINC000039335695 358222902 /nfs/dbraw/zinc/22/29/02/358222902.db2.gz DBPMOVDYZKWWPU-AWEZNQCLSA-N 0 0 227.263 2.284 10 0 BEAERN CCCc1nc(Cl)cn2nc(C)nc12 ZINC000584612634 358276534 /nfs/dbraw/zinc/27/65/34/358276534.db2.gz PQBXESDOHIAPOI-UHFFFAOYSA-N 0 0 210.668 2.039 10 0 BEAERN NC(=O)CN1CC[C@H](C2CCC2)c2ccccc21 ZINC000584612950 358276781 /nfs/dbraw/zinc/27/67/81/358276781.db2.gz YCPMJYYMHLGLCL-GFCCVEGCSA-N 0 0 244.338 2.266 10 0 BEAERN COc1ccc2c(c1Cl)C(=O)N[C@@H](C)C2 ZINC000584613002 358276972 /nfs/dbraw/zinc/27/69/72/358276972.db2.gz HDEQHTQLPIINON-LURJTMIESA-N 0 0 225.675 2.023 10 0 BEAERN CCCNC(=O)c1ccc(O)c(CCC)c1 ZINC000584592316 358250470 /nfs/dbraw/zinc/25/04/70/358250470.db2.gz ZNTBTPNXDQLJME-UHFFFAOYSA-N 0 0 221.300 2.485 10 0 BEAERN CC[C@@H](CC(=O)OC)C(=O)c1ccc(N)cc1 ZINC000584594832 358252169 /nfs/dbraw/zinc/25/21/69/358252169.db2.gz ZUPCMUTUYDPURD-VIFPVBQESA-N 0 0 235.283 2.041 10 0 BEAERN CCOC(=O)c1ccc(/C=C(\C)CO)cc1 ZINC000584598207 358255892 /nfs/dbraw/zinc/25/58/92/358255892.db2.gz NWHMZZSDFNFHLQ-CSKARUKUSA-N 0 0 220.268 2.259 10 0 BEAERN COc1cc(C(=O)[O-])ccc1C[N@H+](C)C(C)C ZINC000584597894 358255901 /nfs/dbraw/zinc/25/59/01/358255901.db2.gz SHVSUCRZPWYIKT-UHFFFAOYSA-N 0 0 237.299 2.234 10 0 BEAERN NC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc21 ZINC000584599885 358256487 /nfs/dbraw/zinc/25/64/87/358256487.db2.gz VVTZYEXYORKQAV-INIZCTEOSA-N 0 0 237.302 2.209 10 0 BEAERN CC[C@@H]1c2ccc3c(c2COC1=O)C(=O)CC3 ZINC000584601315 358258014 /nfs/dbraw/zinc/25/80/14/358258014.db2.gz BUISTEWCVFCHKQ-SECBINFHSA-N 0 0 230.263 2.366 10 0 BEAERN COP(=O)(OC)[C@H](O)c1cccs1 ZINC000584602327 358260018 /nfs/dbraw/zinc/26/00/18/358260018.db2.gz CZOUWVARMKCFLI-ZETCQYMHSA-N 0 0 222.202 2.225 10 0 BEAERN CCOC(=O)C[C@@H](C)C[C@H](O)CC(C)C ZINC000584604447 358263111 /nfs/dbraw/zinc/26/31/11/358263111.db2.gz FDEWTBVTDUTWIE-WDEREUQCSA-N 0 0 216.321 2.373 10 0 BEAERN CCc1ccc(C[C@@H](CC)NC=O)cc1OC ZINC000584604072 358263298 /nfs/dbraw/zinc/26/32/98/358263298.db2.gz KOIJTMAUUXRAQA-CYBMUJFWSA-N 0 0 235.327 2.325 10 0 BEAERN CCCCOC(=O)C[C@H](CC(N)=O)CC(C)C ZINC000584604789 358263762 /nfs/dbraw/zinc/26/37/62/358263762.db2.gz FKAZYAOAVBVBBU-NSHDSACASA-N 0 0 243.347 2.258 10 0 BEAERN C[C@@H]1NC(=S)N(C)C=C1c1ccccc1 ZINC000584607502 358267797 /nfs/dbraw/zinc/26/77/97/358267797.db2.gz MBAJXUVEJRXHDK-VIFPVBQESA-N 0 0 218.325 2.236 10 0 BEAERN CO[C@@H](Nc1ccc2c(c1)OCO2)C(F)(F)F ZINC000584607915 358268644 /nfs/dbraw/zinc/26/86/44/358268644.db2.gz RKPHNYOWARPDCM-SECBINFHSA-N 0 0 249.188 2.362 10 0 BEAERN CN1C[C@@](C)(CO)c2cc(Cl)ccc21 ZINC000584609167 358269811 /nfs/dbraw/zinc/26/98/11/358269811.db2.gz CRTKIGJVWVBYME-NSHDSACASA-N 0 0 211.692 2.040 10 0 BEAERN C=C[Si](C)(C=C)c1ccc(OC)cc1 ZINC000584609156 358269969 /nfs/dbraw/zinc/26/99/69/358269969.db2.gz XAJFUDVUIPYJIC-UHFFFAOYSA-N 0 0 204.345 2.431 10 0 BEAERN COc1ccc([C@H]2C=CCCN2O)cc1 ZINC000584609421 358270416 /nfs/dbraw/zinc/27/04/16/358270416.db2.gz LQBNUKZWFCQFOY-GFCCVEGCSA-N 0 0 205.257 2.387 10 0 BEAERN C/C(=C\c1ccc([Si](C)(C)C)o1)CO ZINC000584609914 358272092 /nfs/dbraw/zinc/27/20/92/358272092.db2.gz PZAUYAHGLTZVJI-VQHVLOKHSA-N 0 0 210.349 2.220 10 0 BEAERN CCOC(=O)/C=C/[C@H](O)c1ccc(Cl)cc1 ZINC000584610268 358272968 /nfs/dbraw/zinc/27/29/68/358272968.db2.gz WBBLZJFEKYDJMF-AEZGRPFRSA-N 0 0 240.686 2.493 10 0 BEAERN CC[C@@H](CCCO)CNC(=O)OC(C)(C)C ZINC000584610731 358273821 /nfs/dbraw/zinc/27/38/21/358273821.db2.gz MHOPIDWGCRMYMI-JTQLQIEISA-N 0 0 231.336 2.310 10 0 BEAERN CCn1ncc2cc(Cl)nc(OC)c21 ZINC000584619860 358286092 /nfs/dbraw/zinc/28/60/92/358286092.db2.gz QWBYKYSIKKRXIG-UHFFFAOYSA-N 0 0 211.652 2.113 10 0 BEAERN CCOC(=O)C[C@@]1(C)OC(=O)C2=C1CCCC2 ZINC000584620251 358287049 /nfs/dbraw/zinc/28/70/49/358287049.db2.gz WDWIALYLTGUGPZ-CYBMUJFWSA-N 0 0 238.283 2.126 10 0 BEAERN CCN(CC)C(=O)C(=O)c1cccc(Cl)c1 ZINC000584621376 358288514 /nfs/dbraw/zinc/28/85/14/358288514.db2.gz ARBBHEKPHMWLLB-UHFFFAOYSA-N 0 0 239.702 2.391 10 0 BEAERN CCC(=O)N1CC[C@](O)(c2ccccc2)[C@H](C)C1 ZINC000584621221 358288776 /nfs/dbraw/zinc/28/87/76/358288776.db2.gz VAJQTQOAMNCXHF-IUODEOHRSA-N 0 0 247.338 2.153 10 0 BEAERN O=c1cc[nH]c([C@@H](O)c2ccc(F)cc2)c1 ZINC000584621893 358290105 /nfs/dbraw/zinc/29/01/05/358290105.db2.gz UUBSYDIKCMXGTM-LBPRGKRZSA-N 0 0 219.215 2.008 10 0 BEAERN CC1([C@H]2CC(=O)Nc3ccccc32)COC1 ZINC000584622158 358290225 /nfs/dbraw/zinc/29/02/25/358290225.db2.gz XYPYFPFPLUPDHS-JTQLQIEISA-N 0 0 217.268 2.149 10 0 BEAERN CCCCc1cn(-c2ccccn2)nn1 ZINC000584622802 358290875 /nfs/dbraw/zinc/29/08/75/358290875.db2.gz JEXMDGMZLSNRQA-UHFFFAOYSA-N 0 0 202.261 2.005 10 0 BEAERN OCCOCSc1ccc(Cl)cc1 ZINC000584623933 358292009 /nfs/dbraw/zinc/29/20/09/358292009.db2.gz BUADAMVYDLHLQT-UHFFFAOYSA-N 0 0 218.705 2.399 10 0 BEAERN COc1cc(OC)nc(Nc2ccc(F)cc2)n1 ZINC000584624025 358292109 /nfs/dbraw/zinc/29/21/09/358292109.db2.gz RSVLUHNKZMJNFJ-UHFFFAOYSA-N 0 0 249.245 2.377 10 0 BEAERN COP(=O)(OC)c1ccccc1Cl ZINC000584624590 358293129 /nfs/dbraw/zinc/29/31/29/358293129.db2.gz BENVBLQVIJNVTR-UHFFFAOYSA-N 0 0 220.592 2.451 10 0 BEAERN Cc1nnc(-c2ccc3c(c2)NC(=O)C3(C)C)o1 ZINC000584625480 358294442 /nfs/dbraw/zinc/29/44/42/358294442.db2.gz FSMLPRRIXMXXKW-UHFFFAOYSA-N 0 0 243.266 2.275 10 0 BEAERN CCN(CC)C(=O)Oc1c(O)cccc1F ZINC000584625662 358294778 /nfs/dbraw/zinc/29/47/78/358294778.db2.gz XBYIELKQPVJNSX-UHFFFAOYSA-N 0 0 227.235 2.372 10 0 BEAERN Cc1nc2ncccc2cc1[Si](C)(C)C ZINC000584625946 358295260 /nfs/dbraw/zinc/29/52/60/358295260.db2.gz OOIVBHDJXPEZHL-UHFFFAOYSA-N 0 0 216.360 2.483 10 0 BEAERN OCc1cc(O[C@@H]2C[C@H]3CC[C@@H]2C3)ccn1 ZINC000584629097 358298505 /nfs/dbraw/zinc/29/85/05/358298505.db2.gz BGLDPRSLXZHUTG-OPQQBVKSSA-N 0 0 219.284 2.141 10 0 BEAERN OCc1cc(OCCCC2CC2)ccn1 ZINC000584630134 358299463 /nfs/dbraw/zinc/29/94/63/358299463.db2.gz YWPUCIBWGRXJRT-UHFFFAOYSA-N 0 0 207.273 2.143 10 0 BEAERN Nc1cnc2nc(-c3cncc(F)c3)sc2c1 ZINC000584648163 358302693 /nfs/dbraw/zinc/30/26/93/358302693.db2.gz CDIXKGBWMNHFCS-UHFFFAOYSA-N 0 0 246.270 2.475 10 0 BEAERN c1ccc2nc(OCCCN3CC3)ccc2c1 ZINC000584650428 358305048 /nfs/dbraw/zinc/30/50/48/358305048.db2.gz JUKOGVFFJZCMJQ-UHFFFAOYSA-N 0 0 228.295 2.319 10 0 BEAERN CCCCOCCNC(=O)CCCSC ZINC000134698904 325371967 /nfs/dbraw/zinc/37/19/67/325371967.db2.gz CQPUJGLEQCGNHP-UHFFFAOYSA-N 0 0 233.377 2.063 10 0 BEAERN COC[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000584651704 358306837 /nfs/dbraw/zinc/30/68/37/358306837.db2.gz QRPHDKZEAVIVIW-LBPRGKRZSA-N 0 0 229.320 2.422 10 0 BEAERN CCc1[nH]c(=O)c(C(=O)NC(C)C)cc1Cl ZINC000584631838 358314109 /nfs/dbraw/zinc/31/41/09/358314109.db2.gz CUYFJPYQYITZTF-UHFFFAOYSA-N 0 0 242.706 2.141 10 0 BEAERN CCCOC(=O)C1SCSCS1 ZINC000584656804 358308388 /nfs/dbraw/zinc/30/83/88/358308388.db2.gz BVRHJKZWNSDQLZ-UHFFFAOYSA-N 0 0 224.372 2.394 10 0 BEAERN CN1C(=O)[C@]2(C)CCCCC[N@H+]2[C@H]1C(C)(C)C ZINC000584655311 358308472 /nfs/dbraw/zinc/30/84/72/358308472.db2.gz HYUOLXMSRJQEAI-FZMZJTMJSA-N 0 0 238.375 2.465 10 0 BEAERN CC(C)(C)[C@@H]1CCC2(CC1=O)OCCO2 ZINC000584657551 358309361 /nfs/dbraw/zinc/30/93/61/358309361.db2.gz BRUMPIUCGVBOHC-SECBINFHSA-N 0 0 212.289 2.145 10 0 BEAERN CCO[P@](=O)(CC)O[C@@H](O)c1ccccn1 ZINC000584661151 358311961 /nfs/dbraw/zinc/31/19/61/358311961.db2.gz LIWIUZPDCAISKE-QLJPJBMISA-N 0 0 245.215 2.339 10 0 BEAERN CC(C)([C@H](O)c1ccccc1)n1ccnc1 ZINC000584616916 358281367 /nfs/dbraw/zinc/28/13/67/358281367.db2.gz QNJYGLHYCGQIMQ-GFCCVEGCSA-N 0 0 216.284 2.352 10 0 BEAERN O=C([O-])[C@H]1CCC2=C(C1)[NH2+][C@@H]1CC=C(F)C=C21 ZINC000584617272 358282074 /nfs/dbraw/zinc/28/20/74/358282074.db2.gz PFUPFRUWNMLWDH-WRWORJQWSA-N 0 0 235.258 2.281 10 0 BEAERN Clc1nnc2c(C3CC3)cc(Cl)nn12 ZINC000584631167 358282363 /nfs/dbraw/zinc/28/23/63/358282363.db2.gz JRCACFLJPYMRRB-UHFFFAOYSA-N 0 0 229.070 2.309 10 0 BEAERN COc1ccc2cc(OC)c(N)cc2c1 ZINC000584631282 358282696 /nfs/dbraw/zinc/28/26/96/358282696.db2.gz NETMGMANZPAUEB-UHFFFAOYSA-N 0 0 203.241 2.439 10 0 BEAERN CCOC(=O)c1cn(Cc2ccccc2)c(C)n1 ZINC000584617646 358282967 /nfs/dbraw/zinc/28/29/67/358282967.db2.gz FBYLVGDHMIZMRO-UHFFFAOYSA-N 0 0 244.294 2.417 10 0 BEAERN CCOC(=O)c1cccc2c1CC[C@@H]2CCO ZINC000584618792 358284704 /nfs/dbraw/zinc/28/47/04/358284704.db2.gz XGGBALHGHHKBST-SNVBAGLBSA-N 0 0 234.295 2.276 10 0 BEAERN CCOC(=O)[C@H](C)Oc1cccc(OC)c1C ZINC000584643657 358328602 /nfs/dbraw/zinc/32/86/02/358328602.db2.gz VGEIDUQCLVXPLJ-JTQLQIEISA-N 0 0 238.283 2.334 10 0 BEAERN NSc1ccnc(N2CCCCC2)c1 ZINC000584646148 358331214 /nfs/dbraw/zinc/33/12/14/358331214.db2.gz OMWPAPSQZZDUEJ-UHFFFAOYSA-N 0 0 209.318 2.038 10 0 BEAERN NSC(=O)c1ccc(C(F)(F)F)cc1 ZINC000584646786 358331755 /nfs/dbraw/zinc/33/17/55/358331755.db2.gz HCMQSMHMSPNLLR-UHFFFAOYSA-N 0 0 221.203 2.453 10 0 BEAERN CC[C@]1(C)OC(=O)c2ccc(OC)cc21 ZINC000584632001 358314868 /nfs/dbraw/zinc/31/48/68/358314868.db2.gz FMZIZUWLYRYHDW-LBPRGKRZSA-N 0 0 206.241 2.491 10 0 BEAERN CC1(CCC(=O)NCCc2ccccc2)N=N1 ZINC000584632549 358315522 /nfs/dbraw/zinc/31/55/22/358315522.db2.gz MGOQIRSPWQTNPW-UHFFFAOYSA-N 0 0 231.299 2.308 10 0 BEAERN CCCc1[nH]c(=O)c(C(=O)NC2CCC2)cc1C ZINC000584634122 358318392 /nfs/dbraw/zinc/31/83/92/358318392.db2.gz YNYFCHJZRKHOPL-UHFFFAOYSA-N 0 0 248.326 2.330 10 0 BEAERN COc1cccc(S[C@@H]2COC(=O)C2)c1 ZINC000584635081 358319619 /nfs/dbraw/zinc/31/96/19/358319619.db2.gz OSGSWXYHZFDZBE-JTQLQIEISA-N 0 0 224.281 2.103 10 0 BEAERN Nc1ccccc1[C@H]1Nc2ccccc2C(=O)N1 ZINC000584635137 358319726 /nfs/dbraw/zinc/31/97/26/358319726.db2.gz VQMKOHDKTZRSIO-ZDUSSCGKSA-N 0 0 239.278 2.123 10 0 BEAERN CC[C@@H]1C[C@@H](O)Oc2c(C)c(O)ccc21 ZINC000584635932 358319995 /nfs/dbraw/zinc/31/99/95/358319995.db2.gz SRPILDQXFCZKRH-KCJUWKMLSA-N 0 0 208.257 2.295 10 0 BEAERN CN(C)C(=O)Oc1ccc(Cl)cc1O ZINC000584635975 358320581 /nfs/dbraw/zinc/32/05/81/358320581.db2.gz XMOZWKJSLNLORT-UHFFFAOYSA-N 0 0 215.636 2.106 10 0 BEAERN COc1ccccc1[C@]1(C)C=CC(=O)O1 ZINC000584637142 358322311 /nfs/dbraw/zinc/32/23/11/358322311.db2.gz GEPZYJAJIOONLV-LBPRGKRZSA-N 0 0 204.225 2.023 10 0 BEAERN COc1cc(OC)cc([C@H]2N=NC(=O)O2)c1 ZINC000584637307 358322688 /nfs/dbraw/zinc/32/26/88/358322688.db2.gz UPGZVHKMTCSKQA-VIFPVBQESA-N 0 0 222.200 2.305 10 0 BEAERN NC(=S)c1nc(-c2ccccc2)sc1N ZINC000584637563 358322956 /nfs/dbraw/zinc/32/29/56/358322956.db2.gz FQWQECGMFSAFJQ-UHFFFAOYSA-N 0 0 235.337 2.027 10 0 BEAERN Cc1c(C)c(O)c2c(c1O)C(=O)CCCC2=O ZINC000584638086 358323666 /nfs/dbraw/zinc/32/36/66/358323666.db2.gz OWWOFMSEAOBCLF-UHFFFAOYSA-N 0 0 234.251 2.264 10 0 BEAERN CCc1oc(-c2cccc(C)c2)nc1O ZINC000584638277 358323834 /nfs/dbraw/zinc/32/38/34/358323834.db2.gz HPISODQQTXRGRV-SNVBAGLBSA-N 0 0 203.241 2.077 10 0 BEAERN CC(C)CCN1C[C@@H](CO)O[C@H]1c1ccccc1 ZINC000584638467 358323962 /nfs/dbraw/zinc/32/39/62/358323962.db2.gz ACUIXYNWTNRCGI-GJZGRUSLSA-N 0 0 249.354 2.424 10 0 BEAERN Cc1ccc(-c2ccc(F)c[n+]2[O-])s1 ZINC000584638452 358324172 /nfs/dbraw/zinc/32/41/72/358324172.db2.gz YXUWVJUVQDMHFD-UHFFFAOYSA-N 0 0 209.245 2.496 10 0 BEAERN CSc1nc(Cl)c(CCO)c(Cl)n1 ZINC000584639264 358324732 /nfs/dbraw/zinc/32/47/32/358324732.db2.gz JKVSMBXXIOYZKH-UHFFFAOYSA-N 0 0 239.127 2.040 10 0 BEAERN Cc1ccc(Oc2nccn3cnnc23)cc1 ZINC000584640399 358326281 /nfs/dbraw/zinc/32/62/81/358326281.db2.gz APXLHTTVIXCXDV-UHFFFAOYSA-N 0 0 226.239 2.225 10 0 BEAERN Cc1c(CCO)ncc(F)c1C1(Cl)CC1 ZINC000584641156 358327203 /nfs/dbraw/zinc/32/72/03/358327203.db2.gz INEIHHVZXKWEPE-UHFFFAOYSA-N 0 0 229.682 2.292 10 0 BEAERN COC(C)(C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000219050451 134273729 /nfs/dbraw/zinc/27/37/29/134273729.db2.gz DIIXQTGVGIEFHS-VIFPVBQESA-N 0 0 213.321 2.106 10 0 BEAERN NC(=O)c1ccc(COC2CCCCC2)c(N)c1 ZINC000037274143 181296925 /nfs/dbraw/zinc/29/69/25/181296925.db2.gz IWRAENWXCDADOJ-UHFFFAOYSA-N 0 0 248.326 2.217 10 0 BEAERN NC(=O)c1ccc(Cl)cc1OCC1CC1 ZINC000124128909 181297437 /nfs/dbraw/zinc/29/74/37/181297437.db2.gz NVRJKESUAHANFG-UHFFFAOYSA-N 0 0 225.675 2.228 10 0 BEAERN NC(=O)c1ccc(F)c(NC2CCCC2)c1 ZINC000037012994 181297542 /nfs/dbraw/zinc/29/75/42/181297542.db2.gz BKAIDQBRJGHXHC-UHFFFAOYSA-N 0 0 222.263 2.279 10 0 BEAERN Cc1[nH]nc(NC(=O)[C@H]2CCC[C@H]2C)c1C ZINC000230170939 358394723 /nfs/dbraw/zinc/39/47/23/358394723.db2.gz GYXBKKNIALXJTD-XCBNKYQSSA-N 0 0 221.304 2.401 10 0 BEAERN NC(=O)c1ccc(N)c(OC2CCCCC2)c1 ZINC000103966108 181297907 /nfs/dbraw/zinc/29/79/07/181297907.db2.gz ALXYFKJMHUNJRG-UHFFFAOYSA-N 0 0 234.299 2.079 10 0 BEAERN CC(C)CC[C@](C)(O)C[NH2+]Cc1cncs1 ZINC000124317115 358516006 /nfs/dbraw/zinc/51/60/06/358516006.db2.gz KPSDVPYSUZICAQ-LBPRGKRZSA-N 0 0 242.388 2.420 10 0 BEAERN CC(C)C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000042270707 358520708 /nfs/dbraw/zinc/52/07/08/358520708.db2.gz GSAFMOYJXROFIK-UHFFFAOYSA-N 0 0 243.310 2.349 10 0 BEAERN COc1cccc2c(=O)[nH]c(C(C)C)nc12 ZINC000045817677 358416885 /nfs/dbraw/zinc/41/68/85/358416885.db2.gz WTBLZBVYKSENNZ-UHFFFAOYSA-N 0 0 218.256 2.055 10 0 BEAERN CC(C)C[C@H](O)C(F)(F)Br ZINC000225649303 358429684 /nfs/dbraw/zinc/42/96/84/358429684.db2.gz JMAZZBWLPRBVGN-YFKPBYRVSA-N 0 0 217.053 2.381 10 0 BEAERN CCCC[C@H](CC)C(=O)NC(C)(C)[C@H](C)O ZINC000128480022 358576346 /nfs/dbraw/zinc/57/63/46/358576346.db2.gz IODMTLYKZUNDEF-QWRGUYRKSA-N 0 0 229.364 2.478 10 0 BEAERN CC[C@@H]1CCCN(C(=O)Nc2nncs2)C1 ZINC000043127701 358535589 /nfs/dbraw/zinc/53/55/89/358535589.db2.gz YAXXZEXTTCRWRC-MRVPVSSYSA-N 0 0 240.332 2.192 10 0 BEAERN C[C@@H](N[C@H](C)c1nccn1C)c1ccoc1 ZINC000132319884 491135122 /nfs/dbraw/zinc/13/51/22/491135122.db2.gz AUHCHJKZVZDBIN-NXEZZACHSA-N 0 0 219.288 2.425 10 0 BEAERN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)COC)C1 ZINC000129392737 358586180 /nfs/dbraw/zinc/58/61/80/358586180.db2.gz XMXHCFBBMRQSAV-TUAOUCFPSA-N 0 0 227.348 2.354 10 0 BEAERN CC[C@@H](C)C(=O)NCc1nccn1CC(C)C ZINC000131133980 358662169 /nfs/dbraw/zinc/66/21/69/358662169.db2.gz GVAZAYGYVNSDQO-LLVKDONJSA-N 0 0 237.347 2.201 10 0 BEAERN CC(C)Cn1ccnc1CNC(=O)C1CCCC1 ZINC000131172392 358664226 /nfs/dbraw/zinc/66/42/26/358664226.db2.gz AWZAGEMBPLPYLC-UHFFFAOYSA-N 0 0 249.358 2.346 10 0 BEAERN NC(=S)c1ncccc1NCc1ccccc1 ZINC000130176970 358678736 /nfs/dbraw/zinc/67/87/36/358678736.db2.gz BEFOSSJFBPTEMS-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN Cc1occc1SC[C@H](C)CS(C)(=O)=O ZINC000131539353 358680702 /nfs/dbraw/zinc/68/07/02/358680702.db2.gz SSSOBFWTJPNBMC-QMMMGPOBSA-N 0 0 248.369 2.361 10 0 BEAERN Cc1ccc([C@H]2CN(C(=O)C3(C)CC3)CCO2)o1 ZINC000133833189 358770152 /nfs/dbraw/zinc/77/01/52/358770152.db2.gz PXPZVRDDOQHNMH-GFCCVEGCSA-N 0 0 249.310 2.288 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2ccn(C)n2)o1 ZINC000133187289 358747497 /nfs/dbraw/zinc/74/74/97/358747497.db2.gz PSMWNPLCZMXING-UHFFFAOYSA-N 0 0 233.271 2.136 10 0 BEAERN CCCC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000133473851 358756349 /nfs/dbraw/zinc/75/63/49/358756349.db2.gz YFSWOSNKLZWVAW-GFCCVEGCSA-N 0 0 237.299 2.288 10 0 BEAERN CCCC(C)(C)NC(=O)c1ncncc1Cl ZINC000175960405 134289512 /nfs/dbraw/zinc/28/95/12/134289512.db2.gz IPNUSLKIUNXNCA-UHFFFAOYSA-N 0 0 241.722 2.439 10 0 BEAERN CCN(CC)C(=O)NCCOC1CCCCC1 ZINC000132571783 358728116 /nfs/dbraw/zinc/72/81/16/358728116.db2.gz UDFAODXVIPYDFX-UHFFFAOYSA-N 0 0 242.363 2.387 10 0 BEAERN CCCc1cc(NC(=O)c2ncccc2C)n[nH]1 ZINC000134913871 358811233 /nfs/dbraw/zinc/81/12/33/358811233.db2.gz HLWIZSZJENTGAW-UHFFFAOYSA-N 0 0 244.298 2.318 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000134969328 358812840 /nfs/dbraw/zinc/81/28/40/358812840.db2.gz YUGZMUCLXNDULJ-SECBINFHSA-N 0 0 224.329 2.261 10 0 BEAERN NC(=O)c1ccc(NCC2CCCCC2)nc1 ZINC000105998552 181298954 /nfs/dbraw/zinc/29/89/54/181298954.db2.gz DIYDKMNMBMGNPZ-UHFFFAOYSA-N 0 0 233.315 2.173 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052758566 358792505 /nfs/dbraw/zinc/79/25/05/358792505.db2.gz ABJKXOWIPZQIKA-CQSZACIVSA-N 0 0 247.338 2.372 10 0 BEAERN CCNC(=O)Nc1nc(C(C)C)cs1 ZINC000052817004 358797547 /nfs/dbraw/zinc/79/75/47/358797547.db2.gz DKNPCJQATWQBJC-UHFFFAOYSA-N 0 0 213.306 2.408 10 0 BEAERN N[C@@H](Cc1cccc(Cl)c1)C(F)F ZINC000214681886 358918980 /nfs/dbraw/zinc/91/89/80/358918980.db2.gz KVWHCGDODXFJFP-QMMMGPOBSA-N 0 0 205.635 2.475 10 0 BEAERN C[C@@H]1OCC[C@H]1SCc1cnc(N)s1 ZINC000300335824 358962567 /nfs/dbraw/zinc/96/25/67/358962567.db2.gz FNTONTNXPJYOCX-POYBYMJQSA-N 0 0 230.358 2.136 10 0 BEAERN C[C@@H]1OCC[C@H]1S[C@@H]1CCC(=O)C1 ZINC000300337301 358963314 /nfs/dbraw/zinc/96/33/14/358963314.db2.gz MVUJODDSPXVLEJ-FXBDTBDDSA-N 0 0 200.303 2.019 10 0 BEAERN C[C@H](O)[C@H](C)S[C@H]1CCCCC[C@@H]1O ZINC000300341881 358967573 /nfs/dbraw/zinc/96/75/73/358967573.db2.gz YJNWBDWLBYMPCY-NAKRPEOUSA-N 0 0 218.362 2.183 10 0 BEAERN O=C([O-])[C@@]1(Cc2csc(Cl)c2)CC[NH2+]C1 ZINC000306153377 358920417 /nfs/dbraw/zinc/92/04/17/358920417.db2.gz AVXYBLAOOBWJHY-SNVBAGLBSA-N 0 0 245.731 2.008 10 0 BEAERN CCOC(=O)c1cnc(-c2ccccn2)nc1C ZINC000140588916 358923928 /nfs/dbraw/zinc/92/39/28/358923928.db2.gz QKWXSZFDLNXFBQ-UHFFFAOYSA-N 0 0 243.266 2.024 10 0 BEAERN CC[C@@]1(Nc2cc(Cl)ncn2)CCOC1 ZINC000306154403 358940305 /nfs/dbraw/zinc/94/03/05/358940305.db2.gz BOLTUCQEYSADCM-SNVBAGLBSA-N 0 0 227.695 2.111 10 0 BEAERN CSC1CCN(C2=NC(=O)CS2)CC1 ZINC000306192913 359021650 /nfs/dbraw/zinc/02/16/50/359021650.db2.gz CICFTVLAQYUFQT-UHFFFAOYSA-N 0 0 230.358 2.181 10 0 BEAERN CC(C)[C@H](C)Nc1cc(CO)c(F)cn1 ZINC000308849516 491138881 /nfs/dbraw/zinc/13/88/81/491138881.db2.gz NQTYKFACCLKJNP-QMMMGPOBSA-N 0 0 212.268 2.169 10 0 BEAERN CNc1nc([C@]2(C)CCCS2)ns1 ZINC000306174283 358982752 /nfs/dbraw/zinc/98/27/52/358982752.db2.gz URAJGUUYGQYMMB-QMMMGPOBSA-N 0 0 215.347 2.322 10 0 BEAERN O=C(NCCF)c1sc(Cl)nc1Cl ZINC000306177859 358988580 /nfs/dbraw/zinc/98/85/80/358988580.db2.gz PEFNDYLRNHXWHW-UHFFFAOYSA-N 0 0 243.090 2.149 10 0 BEAERN Nc1ccc(NCCF)c(Br)c1 ZINC000306179502 358992374 /nfs/dbraw/zinc/99/23/74/358992374.db2.gz HLIJWGMCUAWWPN-UHFFFAOYSA-N 0 0 233.084 2.413 10 0 BEAERN CSc1cc(Br)nc(C)n1 ZINC000160894383 358997925 /nfs/dbraw/zinc/99/79/25/358997925.db2.gz BCDIOVXKHHKZGT-UHFFFAOYSA-N 0 0 219.107 2.269 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000247128156 359196030 /nfs/dbraw/zinc/19/60/30/359196030.db2.gz WXQARDXMBWHNHU-NOOOWODRSA-N 0 0 227.348 2.210 10 0 BEAERN CC[C@H](C(=O)OC)N1CCC[C@H]1c1ccco1 ZINC000247003775 359183176 /nfs/dbraw/zinc/18/31/76/359183176.db2.gz ODHVFZBZEREQRT-MNOVXSKESA-N 0 0 237.299 2.368 10 0 BEAERN CCC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247027847 359185491 /nfs/dbraw/zinc/18/54/91/359185491.db2.gz RTNBVIFLHJAOTR-YRGRVCCFSA-N 0 0 215.296 2.099 10 0 BEAERN CC(C)(O)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000075237743 359139630 /nfs/dbraw/zinc/13/96/30/359139630.db2.gz LMDHFLQJROPAIE-RYUDHWBXSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000246659951 359154201 /nfs/dbraw/zinc/15/42/01/359154201.db2.gz GPIJJQQRFMNMAJ-MBJVOQIVSA-N 0 0 231.295 2.076 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000247128147 359196828 /nfs/dbraw/zinc/19/68/28/359196828.db2.gz WXQARDXMBWHNHU-FIQHERPVSA-N 0 0 227.348 2.210 10 0 BEAERN CC(C)c1csc(NC(=O)C2(O)CCC2)n1 ZINC000132812149 491139307 /nfs/dbraw/zinc/13/93/07/491139307.db2.gz TZSUIUFBDQDPIG-UHFFFAOYSA-N 0 0 240.328 2.120 10 0 BEAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246905912 359174614 /nfs/dbraw/zinc/17/46/14/359174614.db2.gz NOPWBMHZLJPUCK-ITGHMWBKSA-N 0 0 249.354 2.203 10 0 BEAERN CCC[C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000246913404 359174798 /nfs/dbraw/zinc/17/47/98/359174798.db2.gz HWRFOCXDLWWRJV-HBNTYKKESA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247679172 359239775 /nfs/dbraw/zinc/23/97/75/359239775.db2.gz ZLPWSTXALIJISN-HBNTYKKESA-N 0 0 241.306 2.324 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)NC1CCC(C)CC1 ZINC000075982374 359240754 /nfs/dbraw/zinc/24/07/54/359240754.db2.gz BVFIWPUXGAJIFW-DJRKXVOMSA-N 0 0 210.321 2.273 10 0 BEAERN C[C@@H](c1ccccc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247215528 359202271 /nfs/dbraw/zinc/20/22/71/359202271.db2.gz QBTIMEJJLHPLGP-ZFWWWQNUSA-N 0 0 248.370 2.010 10 0 BEAERN Cc1ncc([C@@H]2NC[C@H](C)S2)s1 ZINC000306207684 359299138 /nfs/dbraw/zinc/29/91/38/359299138.db2.gz JKAOICKTBNGCLO-YLWLKBPMSA-N 0 0 200.332 2.175 10 0 BEAERN O[C@@H]1CCCC[C@H]1CSc1ncns1 ZINC000306212078 359306660 /nfs/dbraw/zinc/30/66/60/359306660.db2.gz VIQAJHVPYPRHGW-JGVFFNPUSA-N 0 0 230.358 2.181 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ncccc2Cl)C1 ZINC000308886803 491139690 /nfs/dbraw/zinc/13/96/90/491139690.db2.gz UHFAAGZYSIRIOL-IUCAKERBSA-N 0 0 226.707 2.450 10 0 BEAERN CCC1(CC)C(=O)N[C@@H]1[C@H]1CCSC1 ZINC000306214558 359315899 /nfs/dbraw/zinc/31/58/99/359315899.db2.gz ZANAKRDKSLYSGO-DTWKUNHWSA-N 0 0 213.346 2.044 10 0 BEAERN C[C@H]1Sc2c(Cl)cncc2NC1=O ZINC000306225301 359355226 /nfs/dbraw/zinc/35/52/26/359355226.db2.gz FCPSMHPLNNOGCG-SCSAIBSYSA-N 0 0 214.677 2.168 10 0 BEAERN Clc1nccc(CN2CCCCC2)n1 ZINC000306225431 359355433 /nfs/dbraw/zinc/35/54/33/359355433.db2.gz FVQVHTYILCRYEL-UHFFFAOYSA-N 0 0 211.696 2.116 10 0 BEAERN CCc1coc(NCc2cscn2)n1 ZINC000306221912 359343441 /nfs/dbraw/zinc/34/34/41/359343441.db2.gz JYOUOPVMGOMEDI-UHFFFAOYSA-N 0 0 209.274 2.306 10 0 BEAERN CN1C(=S)N=NC1[C@H]1CCCCS1 ZINC000228196862 359417799 /nfs/dbraw/zinc/41/77/99/359417799.db2.gz AWHQGPASSBGRNK-ZCFIWIBFSA-N 0 0 215.347 2.062 10 0 BEAERN O=Cc1sc(N2CCC2)nc1C1CC1 ZINC000306244545 359431770 /nfs/dbraw/zinc/43/17/70/359431770.db2.gz MZABTKJQUQZACW-UHFFFAOYSA-N 0 0 208.286 2.043 10 0 BEAERN Clc1ccc(S[C@H]2CCCO2)nn1 ZINC000306244632 359432078 /nfs/dbraw/zinc/43/20/78/359432078.db2.gz NDKUWPUORHVWOZ-QMMMGPOBSA-N 0 0 216.693 2.359 10 0 BEAERN CC[C@@H](C)Nc1cc(Br)nc(N)n1 ZINC000306260391 359478612 /nfs/dbraw/zinc/47/86/12/359478612.db2.gz UJLZKKFNCXQPGC-RXMQYKEDSA-N 0 0 245.124 2.032 10 0 BEAERN CCCN(C)N1CCSCC[C@@H]1C ZINC000306250164 359446784 /nfs/dbraw/zinc/44/67/84/359446784.db2.gz YGOXXSBPZTWLMX-JTQLQIEISA-N 0 0 202.367 2.071 10 0 BEAERN O=C1OC[C@H](SC[C@@H]2CC2(Cl)Cl)O1 ZINC000306252400 359460606 /nfs/dbraw/zinc/46/06/06/359460606.db2.gz VIRLTLCQTGDGAN-WHFBIAKZSA-N 0 0 243.111 2.406 10 0 BEAERN OC[C@@H]1C[C@@H]1Oc1ccccc1Br ZINC000306258256 359473982 /nfs/dbraw/zinc/47/39/82/359473982.db2.gz ZTNNJUSVJZQIBJ-XVKPBYJWSA-N 0 0 243.100 2.209 10 0 BEAERN Nc1cc(Cl)c(F)cc1NCCF ZINC000306257999 359474028 /nfs/dbraw/zinc/47/40/28/359474028.db2.gz QNDBUKORSGGLPB-UHFFFAOYSA-N 0 0 206.623 2.443 10 0 BEAERN Cn1cnnc1Cc1ccc(Cl)cc1 ZINC000228237351 359519158 /nfs/dbraw/zinc/51/91/58/359519158.db2.gz HCVJAOLAMAKTIB-UHFFFAOYSA-N 0 0 207.664 2.059 10 0 BEAERN C[C@@H]1C[C@H]1Nc1nc(Cl)c(CO)s1 ZINC000306288891 359522588 /nfs/dbraw/zinc/52/25/88/359522588.db2.gz NDJCKXORNUUPNC-RFZPGFLSSA-N 0 0 218.709 2.109 10 0 BEAERN C[C@H](CO)Sc1ncccc1Cl ZINC000160954758 359563238 /nfs/dbraw/zinc/56/32/38/359563238.db2.gz LVSLYFYUOPCFQX-ZCFIWIBFSA-N 0 0 203.694 2.208 10 0 BEAERN OC[C@]1(Cc2csc(Cl)c2)CCCO1 ZINC000306311778 359592941 /nfs/dbraw/zinc/59/29/41/359592941.db2.gz NBZIFCHGMRLBAI-SNVBAGLBSA-N 0 0 232.732 2.486 10 0 BEAERN C[C@@H]1CCCCN1C(=O)C(F)(F)Cl ZINC000306303627 359582927 /nfs/dbraw/zinc/58/29/27/359582927.db2.gz BEYXTIAFZNKBRI-ZCFIWIBFSA-N 0 0 211.639 2.219 10 0 BEAERN Cc1csc(N[C@H](C)C[C@H](C)O)n1 ZINC000130341897 359587614 /nfs/dbraw/zinc/58/76/14/359587614.db2.gz FYCSOOQYLZTRIG-SVRRBLITSA-N 0 0 200.307 2.023 10 0 BEAERN C[C@H]1Oc2c(cc(Cl)cc2F)C1=O ZINC000306325533 359608701 /nfs/dbraw/zinc/60/87/01/359608701.db2.gz HQTFBKMCPPVCCD-SCSAIBSYSA-N 0 0 200.596 2.443 10 0 BEAERN CC1(CNc2csc(Cl)n2)COC1 ZINC000306325354 359609225 /nfs/dbraw/zinc/60/92/25/359609225.db2.gz OFCWLIZPBQZKKQ-UHFFFAOYSA-N 0 0 218.709 2.245 10 0 BEAERN c1nnsc1NC[C@@H]1CCCSC1 ZINC000306334004 359637122 /nfs/dbraw/zinc/63/71/22/359637122.db2.gz TWVOFLLOKDCKDV-ZETCQYMHSA-N 0 0 215.347 2.093 10 0 BEAERN Cc1cc(S[C@H](C)CO)c(F)cc1N ZINC000306338157 359638974 /nfs/dbraw/zinc/63/89/74/359638974.db2.gz JAPFJZIIARPGDF-SSDOTTSWSA-N 0 0 215.293 2.189 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000245484321 325507028 /nfs/dbraw/zinc/50/70/28/325507028.db2.gz HEUWHRUWBWTLJE-SDDRHHMPSA-N 0 0 224.348 2.472 10 0 BEAERN Nc1cc(-c2ccsc2Cl)ncn1 ZINC000306350722 359679587 /nfs/dbraw/zinc/67/95/87/359679587.db2.gz MQKYKPSRIMCYSC-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN CC(C)Nc1nc(Cl)c(C(N)=S)s1 ZINC000306371524 359706982 /nfs/dbraw/zinc/70/69/82/359706982.db2.gz OJKZKJAJMHXAQC-UHFFFAOYSA-N 0 0 235.765 2.251 10 0 BEAERN OC1(Cc2ncccc2Br)CCC1 ZINC000306374932 359709008 /nfs/dbraw/zinc/70/90/08/359709008.db2.gz RNWCCLIJLYTRQR-UHFFFAOYSA-N 0 0 242.116 2.302 10 0 BEAERN CC(C)Cc1ccc(Br)nn1 ZINC000306375183 359709188 /nfs/dbraw/zinc/70/91/88/359709188.db2.gz LQDHQYRGOWQHNK-UHFFFAOYSA-N 0 0 215.094 2.438 10 0 BEAERN CCn1c(Cl)nc2sccc2c1=O ZINC000306381205 359731101 /nfs/dbraw/zinc/73/11/01/359731101.db2.gz XFWJCDREVBSEDE-UHFFFAOYSA-N 0 0 214.677 2.131 10 0 BEAERN C[C@@H](CF)NC(=O)Nc1cccs1 ZINC000306384509 359733557 /nfs/dbraw/zinc/73/35/57/359733557.db2.gz WDEQYNTZOQZWJT-LURJTMIESA-N 0 0 202.254 2.228 10 0 BEAERN FCCCNc1nnc(Br)s1 ZINC000306385179 359736550 /nfs/dbraw/zinc/73/65/50/359736550.db2.gz BAQSEPTUKPGJGP-UHFFFAOYSA-N 0 0 240.101 2.072 10 0 BEAERN Cc1csc(N[C@@H]2CCC[C@@H]2CO)n1 ZINC000231323003 359776282 /nfs/dbraw/zinc/77/62/82/359776282.db2.gz DJHDKEXBUIAJIR-RKDXNWHRSA-N 0 0 212.318 2.024 10 0 BEAERN Cc1cccc(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000309099579 491144784 /nfs/dbraw/zinc/14/47/84/491144784.db2.gz GEDXPLHJOOLPRG-MNOVXSKESA-N 0 0 206.289 2.105 10 0 BEAERN Cc1nnc(Sc2ccc(CO)s2)o1 ZINC000230007453 359806897 /nfs/dbraw/zinc/80/68/97/359806897.db2.gz FMCXZNGFZRJPJM-UHFFFAOYSA-N 0 0 228.298 2.083 10 0 BEAERN CCOC1CCN(c2nsnc2Cl)CC1 ZINC000040690434 359807018 /nfs/dbraw/zinc/80/70/18/359807018.db2.gz QGGZLVXJVGNIHP-UHFFFAOYSA-N 0 0 247.751 2.197 10 0 BEAERN CNC(=O)Nc1cc(Cl)nc(Cl)c1 ZINC000306418539 359828736 /nfs/dbraw/zinc/82/87/36/359828736.db2.gz UDPXBENVTAIPJU-UHFFFAOYSA-N 0 0 220.059 2.140 10 0 BEAERN CC(C)[C@H]1CCCN1C1=NC(=O)CS1 ZINC000306429824 359883475 /nfs/dbraw/zinc/88/34/75/359883475.db2.gz PLEGWHZTENVYNK-MRVPVSSYSA-N 0 0 212.318 2.474 10 0 BEAERN Fc1ccc(NCC2OCCO2)c(Cl)c1 ZINC000306427244 359878089 /nfs/dbraw/zinc/87/80/89/359878089.db2.gz KWDPWYJBRAHKGF-UHFFFAOYSA-N 0 0 231.654 2.264 10 0 BEAERN Cc1ccc(N)c(N[C@@H]2CCSC2)c1 ZINC000231344809 359858491 /nfs/dbraw/zinc/85/84/91/359858491.db2.gz POCCPDHGUVQBHQ-SECBINFHSA-N 0 0 208.330 2.495 10 0 BEAERN C[C@@H]1CCN(c2ccc(C=O)cc2F)C1 ZINC000040718544 359909273 /nfs/dbraw/zinc/90/92/73/359909273.db2.gz LNSSNQKRDRISPI-SECBINFHSA-N 0 0 207.248 2.484 10 0 BEAERN C[C@@H]1CC[N@H+](CC(=O)c2ccccc2)C1 ZINC000040718968 359913912 /nfs/dbraw/zinc/91/39/12/359913912.db2.gz YMNOHEURXLUYCY-LLVKDONJSA-N 0 0 203.285 2.211 10 0 BEAERN CC(C)Cn1ccnc(N[C@H]2CC=CCC2)c1=O ZINC000088748868 359973993 /nfs/dbraw/zinc/97/39/93/359973993.db2.gz IEOFAFOBHLRBDA-LBPRGKRZSA-N 0 0 247.342 2.420 10 0 BEAERN Cc1cnc(-c2ccc(F)cc2)c(=O)[nH]1 ZINC000536960621 360014338 /nfs/dbraw/zinc/01/43/38/360014338.db2.gz QXHXKDYGFZTVMD-UHFFFAOYSA-N 0 0 204.204 2.297 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1csc(Cl)n1 ZINC000306442852 360014940 /nfs/dbraw/zinc/01/49/40/360014940.db2.gz LVOZBAUDCXOQFV-RITPCOANSA-N 0 0 218.709 2.386 10 0 BEAERN C[C@@H]1CCN(C2=NC(=O)CS2)C[C@@H]1C ZINC000306449883 360018666 /nfs/dbraw/zinc/01/86/66/360018666.db2.gz YMWCTIXHKYLMDK-SFYZADRCSA-N 0 0 212.318 2.331 10 0 BEAERN COc1ncccc1[C@@H]1CCC(=O)[C@@H]1C ZINC000306450501 360020994 /nfs/dbraw/zinc/02/09/94/360020994.db2.gz CHMLHUGCWFEHLH-RKDXNWHRSA-N 0 0 205.257 2.173 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000089973753 360050684 /nfs/dbraw/zinc/05/06/84/360050684.db2.gz MRLXSAVMXKNZTC-YPMHNXCESA-N 0 0 239.359 2.306 10 0 BEAERN C[C@H](CO)Nc1ccc(Br)cc1F ZINC000306463559 360069241 /nfs/dbraw/zinc/06/92/41/360069241.db2.gz HLMJVMZGDQGUJT-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN C[C@@H]1CC[C@H]1NC(=O)C1(Br)CCC1 ZINC000306464212 360076596 /nfs/dbraw/zinc/07/65/96/360076596.db2.gz CIMDOKJXKYNCEP-HTQZYQBOSA-N 0 0 246.148 2.219 10 0 BEAERN CCn1cc(CN2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000091978794 360139573 /nfs/dbraw/zinc/13/95/73/360139573.db2.gz UQBYBNRPJXSVNR-KBPBESRZSA-N 0 0 249.358 2.046 10 0 BEAERN Cc1oncc1[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000306476097 360110233 /nfs/dbraw/zinc/11/02/33/360110233.db2.gz XPFYGTRLNZHICX-APPZFPTMSA-N 0 0 212.318 2.139 10 0 BEAERN Cc1oncc1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000306476100 360110543 /nfs/dbraw/zinc/11/05/43/360110543.db2.gz XPFYGTRLNZHICX-VXNVDRBHSA-N 0 0 212.318 2.139 10 0 BEAERN CC1(C)C(=O)N[C@@H]1c1occc1Br ZINC000306474176 360111427 /nfs/dbraw/zinc/11/14/27/360111427.db2.gz FUDHCYVDNZNLCV-SSDOTTSWSA-N 0 0 244.088 2.239 10 0 BEAERN OC[C@@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000306487608 360169578 /nfs/dbraw/zinc/16/95/78/360169578.db2.gz UEOGZASYOOTFIN-NTSWFWBYSA-N 0 0 219.693 2.009 10 0 BEAERN C[C@H]1SCC[C@H]1n1cc[nH]c1=S ZINC000306491147 360206439 /nfs/dbraw/zinc/20/64/39/360206439.db2.gz KSMZWWMAMNQWTJ-RNFRBKRXSA-N 0 0 200.332 2.238 10 0 BEAERN C[C@@H]1SCC[C@H]1n1cc[nH]c1=S ZINC000306491143 360206624 /nfs/dbraw/zinc/20/66/24/360206624.db2.gz KSMZWWMAMNQWTJ-NKWVEPMBSA-N 0 0 200.332 2.238 10 0 BEAERN CC(C)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000093470200 360246071 /nfs/dbraw/zinc/24/60/71/360246071.db2.gz KAAKKTXWOGECKT-UPJWGTAASA-N 0 0 239.359 2.185 10 0 BEAERN CC(=O)Nc1cc(Br)c(Cl)cn1 ZINC000306506165 360308567 /nfs/dbraw/zinc/30/85/67/360308567.db2.gz VEEQTNALQFONFQ-UHFFFAOYSA-N 0 0 249.495 2.456 10 0 BEAERN c1ccc([C@@H](NC2COC2)c2ccccn2)cc1 ZINC000094710018 360315746 /nfs/dbraw/zinc/31/57/46/360315746.db2.gz DEDXLMQTYQNYSV-OAHLLOKOSA-N 0 0 240.306 2.159 10 0 BEAERN COC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094837224 360323126 /nfs/dbraw/zinc/32/31/26/360323126.db2.gz IDCMJXSBEPWBDQ-UWVGGRQHSA-N 0 0 239.290 2.346 10 0 BEAERN CNC(=S)N[C@@]1(C)CCCC[C@@H]1C ZINC000306535342 360399514 /nfs/dbraw/zinc/39/95/14/360399514.db2.gz JTFAEECVRAJNEX-WPRPVWTQSA-N 0 0 200.351 2.049 10 0 BEAERN CC(C)C(C)(C)C(=O)N1CCSC1 ZINC000306538873 360402078 /nfs/dbraw/zinc/40/20/78/360402078.db2.gz MLIULGCDKCOWOE-UHFFFAOYSA-N 0 0 201.335 2.202 10 0 BEAERN O=C(NC1CC1)c1sc(Cl)nc1Cl ZINC000306526595 360367308 /nfs/dbraw/zinc/36/73/08/360367308.db2.gz VBJKGNNNAYLMEK-UHFFFAOYSA-N 0 0 237.111 2.342 10 0 BEAERN C[C@H]1CCC[C@@H]1NC(=O)C(F)(F)Cl ZINC000306527163 360367621 /nfs/dbraw/zinc/36/76/21/360367621.db2.gz WQIVWVGYCIOXSQ-WDSKDSINSA-N 0 0 211.639 2.123 10 0 BEAERN CC(C)(C)NC(=O)c1occc1Cl ZINC000306529069 360378183 /nfs/dbraw/zinc/37/81/83/360378183.db2.gz BZSMOMVBFVBLBX-UHFFFAOYSA-N 0 0 201.653 2.461 10 0 BEAERN CNC(=S)N[C@]1(C)CCCC[C@H]1C ZINC000306535339 360398859 /nfs/dbraw/zinc/39/88/59/360398859.db2.gz JTFAEECVRAJNEX-PSASIEDQSA-N 0 0 200.351 2.049 10 0 BEAERN CSC[C@@H](C)c1nc(Br)no1 ZINC000300746749 360436918 /nfs/dbraw/zinc/43/69/18/360436918.db2.gz DFAUJQLAXNLXAA-SCSAIBSYSA-N 0 0 237.122 2.299 10 0 BEAERN Cc1cc([C@@H](N)c2occc2C)sn1 ZINC000306562926 360439862 /nfs/dbraw/zinc/43/98/62/360439862.db2.gz VDNCAAFURFZNBP-SECBINFHSA-N 0 0 208.286 2.401 10 0 BEAERN C[C@@H]1CCC[C@@H](C[C@H](O)C(C)(C)O)C1 ZINC000306568325 360445612 /nfs/dbraw/zinc/44/56/12/360445612.db2.gz UOPHLOMWNGYFPD-MXWKQRLJSA-N 0 0 200.322 2.335 10 0 BEAERN COc1cc(-c2c[nH]c(=S)cn2)sn1 ZINC000306538378 360404380 /nfs/dbraw/zinc/40/43/80/360404380.db2.gz MGNVCSCSUATMEX-UHFFFAOYSA-N 0 0 225.298 2.271 10 0 BEAERN C[C@@H]1C[C@H](SC2CCCC2)C(=O)O1 ZINC000306540306 360405699 /nfs/dbraw/zinc/40/56/99/360405699.db2.gz OSZQOMMAXKPKCN-APPZFPTMSA-N 0 0 200.303 2.366 10 0 BEAERN Clc1ncc(CNc2cccnn2)s1 ZINC000306545897 360414269 /nfs/dbraw/zinc/41/42/69/360414269.db2.gz WHXBGXALWZQKJU-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN Cc1nc([C@@H](O)CC(F)(F)F)cs1 ZINC000306551677 360425513 /nfs/dbraw/zinc/42/55/13/360425513.db2.gz JXOZEVMDQSPOOL-LURJTMIESA-N 0 0 211.208 2.437 10 0 BEAERN C[C@H]1CCN(c2ccc(C=O)cn2)[C@H]1C ZINC000306553957 360426877 /nfs/dbraw/zinc/42/68/77/360426877.db2.gz LBNCIUQPLRBZJC-UWVGGRQHSA-N 0 0 204.273 2.129 10 0 BEAERN CC(C)NC(=O)Nc1ncc(Cl)s1 ZINC000306554105 360427691 /nfs/dbraw/zinc/42/76/91/360427691.db2.gz BWVPNBGJVQOJJH-UHFFFAOYSA-N 0 0 219.697 2.326 10 0 BEAERN Fc1cccc(CNc2cnsn2)c1 ZINC000306559146 360434034 /nfs/dbraw/zinc/43/40/34/360434034.db2.gz QFKRDHQZWOGGHZ-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN CSC[C@@H](C)c1nnc(Br)o1 ZINC000300747782 360435747 /nfs/dbraw/zinc/43/57/47/360435747.db2.gz DOCYDQJJIGIWEY-SCSAIBSYSA-N 0 0 237.122 2.299 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CSC[C@@H]1C ZINC000306581171 360478805 /nfs/dbraw/zinc/47/88/05/360478805.db2.gz OKLBUPLWRDVDOD-FSPLSTOPSA-N 0 0 217.725 2.164 10 0 BEAERN Cc1cccnc1C(=O)c1ccns1 ZINC000306589519 360494675 /nfs/dbraw/zinc/49/46/75/360494675.db2.gz XDMKYDAEYBOXBW-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN C[C@@H]1CCN(Cc2cc(Cl)ccn2)C1=O ZINC000306574106 360463209 /nfs/dbraw/zinc/46/32/09/360463209.db2.gz IPTGNRINLOCKPY-MRVPVSSYSA-N 0 0 224.691 2.103 10 0 BEAERN COc1c(F)c(N)ccc1C(F)(F)F ZINC000306579015 360465903 /nfs/dbraw/zinc/46/59/03/360465903.db2.gz MYZUJZNUGYWLGF-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN C[C@@H]1CN[C@H](c2c(Cl)cnn2C)SC1 ZINC000306599866 360520838 /nfs/dbraw/zinc/52/08/38/360520838.db2.gz SAJHVSFIIJOAIZ-MUWHJKNJSA-N 0 0 231.752 2.045 10 0 BEAERN C[C@@H]1CN[C@@H](c2c(Cl)cnn2C)SC1 ZINC000306599864 360521148 /nfs/dbraw/zinc/52/11/48/360521148.db2.gz SAJHVSFIIJOAIZ-HZGVNTEJSA-N 0 0 231.752 2.045 10 0 BEAERN CC(C)[C@@H]1[C@@H]2C[C@]3(C)[C@@H]([C@H]12)[C@](C)(O)CC[C@@H]3O ZINC000014950319 219812864 /nfs/dbraw/zinc/81/28/64/219812864.db2.gz HAGUIOILOILJEM-FDIVEBMXSA-N 0 0 238.371 2.437 10 0 BEAERN CC(C)n1nccc1[C@@H]1N[C@@H](C)CS1 ZINC000306600778 360527836 /nfs/dbraw/zinc/52/78/36/360527836.db2.gz UIMASNWQFCEQFD-WCBMZHEXSA-N 0 0 211.334 2.188 10 0 BEAERN CN(CCCC1CC1)C(=O)C(F)(F)F ZINC000306591096 360505330 /nfs/dbraw/zinc/50/53/30/360505330.db2.gz VINARVNBZFRLFR-UHFFFAOYSA-N 0 0 209.211 2.197 10 0 BEAERN ON[C@@H](c1cccc(F)c1)C(F)(F)F ZINC000306592357 360511020 /nfs/dbraw/zinc/51/10/20/360511020.db2.gz QXVRRJHNDAAFHM-ZETCQYMHSA-N 0 0 209.142 2.408 10 0 BEAERN ON[C@H](c1cccc(F)c1)C(F)(F)F ZINC000306592356 360511062 /nfs/dbraw/zinc/51/10/62/360511062.db2.gz QXVRRJHNDAAFHM-SSDOTTSWSA-N 0 0 209.142 2.408 10 0 BEAERN CCc1cnc([C@H]2N[C@H](C)CS2)s1 ZINC000306596544 360518312 /nfs/dbraw/zinc/51/83/12/360518312.db2.gz MPKYVTJGEJXCGH-MUWHJKNJSA-N 0 0 214.359 2.429 10 0 BEAERN CCC[C@H](CCO)NC(=O)[C@H]1CCC[C@@H]1C ZINC000633829500 360542190 /nfs/dbraw/zinc/54/21/90/360542190.db2.gz DZHMMABJVLSXQC-TUAOUCFPSA-N 0 0 227.348 2.090 10 0 BEAERN CC(C)(C)OC(=O)N1CCCC[C@]1(C)CO ZINC000238070396 360544650 /nfs/dbraw/zinc/54/46/50/360544650.db2.gz BNMWVRRRNYUWBT-GFCCVEGCSA-N 0 0 229.320 2.158 10 0 BEAERN C=C(Cl)C(=O)Nc1cccc(Cl)n1 ZINC000306609185 360587895 /nfs/dbraw/zinc/58/78/95/360587895.db2.gz JYBLWUUHMGGTMH-UHFFFAOYSA-N 0 0 217.055 2.426 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000003652357 360624397 /nfs/dbraw/zinc/62/43/97/360624397.db2.gz AEINTQJDXLXKJS-LLVKDONJSA-N 0 0 220.272 2.375 10 0 BEAERN O=C1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000069850905 360703698 /nfs/dbraw/zinc/70/36/98/360703698.db2.gz TWIOXRCEUZACFG-LLVKDONJSA-N 0 0 212.195 2.385 10 0 BEAERN COc1ccccc1[C@@H]1CC(=O)CCO1 ZINC000069850849 360704786 /nfs/dbraw/zinc/70/47/86/360704786.db2.gz PZNPGFIOVIHIBR-LBPRGKRZSA-N 0 0 206.241 2.116 10 0 BEAERN CCSCC(=O)c1ccc2c(c1)OCO2 ZINC000036182335 360706685 /nfs/dbraw/zinc/70/66/85/360706685.db2.gz YQORCANFEXAXQN-UHFFFAOYSA-N 0 0 224.281 2.351 10 0 BEAERN NC(=O)c1ccccc1Oc1ccc(N)cc1F ZINC000020474943 181306574 /nfs/dbraw/zinc/30/65/74/181306574.db2.gz KKMNYXWNHNDEMH-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN CCOC(=O)Cc1c(C)cccc1OC ZINC000238256775 360761536 /nfs/dbraw/zinc/76/15/36/360761536.db2.gz TXSUMIVWSSRYOV-UHFFFAOYSA-N 0 0 208.257 2.109 10 0 BEAERN CCOC(=O)c1[nH]cc2cc(OC)ccc21 ZINC000238296661 360790179 /nfs/dbraw/zinc/79/01/79/360790179.db2.gz PJJYOIMHKFKLHV-UHFFFAOYSA-N 0 0 219.240 2.353 10 0 BEAERN CCc1c(N)cc(N)cc1Br ZINC000238301361 360839029 /nfs/dbraw/zinc/83/90/29/360839029.db2.gz ADYFJJXZKCBUCH-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CC[C@H](C)n1nc(C)c(CO)c1Cl ZINC000040931378 360853910 /nfs/dbraw/zinc/85/39/10/360853910.db2.gz BYPHMPLPVVNTQF-LURJTMIESA-N 0 0 202.685 2.308 10 0 BEAERN NC(=S)CCCn1cnc2ccccc21 ZINC000019423332 181315401 /nfs/dbraw/zinc/31/54/01/181315401.db2.gz HBFDMDKRECRGNX-UHFFFAOYSA-N 0 0 219.313 2.103 10 0 BEAERN NC(=S)CCCOCc1ccccc1 ZINC000019512550 181315452 /nfs/dbraw/zinc/31/54/52/181315452.db2.gz QUTRGAVWQRYEHW-UHFFFAOYSA-N 0 0 209.314 2.270 10 0 BEAERN COc1cncc(F)c1OC(F)(F)F ZINC000238346474 360909491 /nfs/dbraw/zinc/90/94/91/360909491.db2.gz TXSYTXWIGVMVFV-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN NC(=S)COc1ccc(Br)cc1 ZINC000019442613 181316496 /nfs/dbraw/zinc/31/64/96/181316496.db2.gz FFZCIKFWHCIFCD-UHFFFAOYSA-N 0 0 246.129 2.114 10 0 BEAERN NC(=S)CO[C@@H]1CCCc2ccccc21 ZINC000019515502 181316672 /nfs/dbraw/zinc/31/66/72/181316672.db2.gz KSVXTFODGZMMKC-LLVKDONJSA-N 0 0 221.325 2.367 10 0 BEAERN C[C@@H]1CC(CNc2ncc(F)cn2)C[C@@H](C)O1 ZINC000281768810 200772501 /nfs/dbraw/zinc/77/25/01/200772501.db2.gz GDQKHGBLJWFOLH-RKDXNWHRSA-N 0 0 239.294 2.231 10 0 BEAERN COc1cc(F)cc(OC(F)(F)F)n1 ZINC000238352302 360933453 /nfs/dbraw/zinc/93/34/53/360933453.db2.gz URVPZZCUMFHOMY-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000141664206 360965550 /nfs/dbraw/zinc/96/55/50/360965550.db2.gz WSDIEEXAUCMABH-LLVKDONJSA-N 0 0 205.257 2.152 10 0 BEAERN NC(=S)c1cc(Cl)cc(Cl)c1N ZINC000006499587 181320259 /nfs/dbraw/zinc/32/02/59/181320259.db2.gz TZRCZJAHHHDJIP-UHFFFAOYSA-N 0 0 221.112 2.210 10 0 BEAERN O=Cc1c[nH]c(Cc2ccc(Cl)cc2)n1 ZINC000069906780 361002191 /nfs/dbraw/zinc/00/21/91/361002191.db2.gz BAWAJRZIQFLMLD-UHFFFAOYSA-N 0 0 220.659 2.466 10 0 BEAERN NC(=S)c1cc(F)cc2cnccc21 ZINC000082769365 181320442 /nfs/dbraw/zinc/32/04/42/181320442.db2.gz IXCSUCVYYBUKAY-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN Cc1cc(C)c2c(c1)C(=O)C[C@@H](C)[S@@]2=O ZINC000040973050 360984230 /nfs/dbraw/zinc/98/42/30/360984230.db2.gz FTHZPZMWWXZDTD-RFAUZJTJSA-N 0 0 222.309 2.386 10 0 BEAERN O=C1CCC[S@](=O)c2c(F)ccc(F)c21 ZINC000040973345 360984313 /nfs/dbraw/zinc/98/43/13/360984313.db2.gz DNLNHJHYOQSBDU-OAHLLOKOSA-N 0 0 230.235 2.049 10 0 BEAERN NC(=S)c1ccnc(NCC2CCCC2)c1 ZINC000037258959 181321680 /nfs/dbraw/zinc/32/16/80/181321680.db2.gz ZCRHINJTTCVYQH-UHFFFAOYSA-N 0 0 235.356 2.318 10 0 BEAERN NC(=S)c1cccnc1N1CCCCCCC1 ZINC000020266071 181321950 /nfs/dbraw/zinc/32/19/50/181321950.db2.gz VNXUMQIQEJLGHY-UHFFFAOYSA-N 0 0 249.383 2.486 10 0 BEAERN CC(C)Sc1nc(N)cc(Cl)n1 ZINC000006884163 361080453 /nfs/dbraw/zinc/08/04/53/361080453.db2.gz YLJMGDYRINYBBX-UHFFFAOYSA-N 0 0 203.698 2.213 10 0 BEAERN COC[C@H](C)c1cc(Cl)cnc1N ZINC000069943778 361175716 /nfs/dbraw/zinc/17/57/16/361175716.db2.gz VUCQEWXWGBZFNR-LURJTMIESA-N 0 0 200.669 2.067 10 0 BEAERN CCn1nc(C(C)C)c(CO)c1Cl ZINC000041043617 361182070 /nfs/dbraw/zinc/18/20/70/361182070.db2.gz TTXJPJZORHTTGW-UHFFFAOYSA-N 0 0 202.685 2.172 10 0 BEAERN Fc1ccc(NCC[C@@H]2CCCO2)nc1 ZINC000041045444 361182581 /nfs/dbraw/zinc/18/25/81/361182581.db2.gz OGOFBDKPIQIQFN-JTQLQIEISA-N 0 0 210.252 2.202 10 0 BEAERN CC(C)(C)Sc1ccc(N)cc1C(N)=O ZINC000041046163 361183742 /nfs/dbraw/zinc/18/37/42/361183742.db2.gz IKZHPWLQBSNRNP-UHFFFAOYSA-N 0 0 224.329 2.258 10 0 BEAERN Nc1ccc(Cl)cc1C(=O)OC(F)F ZINC000041047987 361188758 /nfs/dbraw/zinc/18/87/58/361188758.db2.gz KBOLIBAXQRPRHY-UHFFFAOYSA-N 0 0 221.590 2.302 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000424738509 200957017 /nfs/dbraw/zinc/95/70/17/200957017.db2.gz MTQHBZZLSLWWTE-JHJVBQTASA-N 0 0 239.359 2.044 10 0 BEAERN CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1C ZINC000171051546 361238442 /nfs/dbraw/zinc/23/84/42/361238442.db2.gz JTILTNCHRDOBJI-JOYOIKCWSA-N 0 0 246.310 2.092 10 0 BEAERN OCc1cn(Cc2csc(Cl)c2)cn1 ZINC000306630661 361301309 /nfs/dbraw/zinc/30/13/09/361301309.db2.gz KTDKOLOEMRDOCK-UHFFFAOYSA-N 0 0 228.704 2.139 10 0 BEAERN Clc1cc(NCc2ccon2)nc(Cl)n1 ZINC000306636968 361454783 /nfs/dbraw/zinc/45/47/83/361454783.db2.gz MBPQKYFCFBUKLV-UHFFFAOYSA-N 0 0 245.069 2.384 10 0 BEAERN Fc1cc(F)cc(-c2nc(Cl)n[nH]2)c1 ZINC000070584170 361573629 /nfs/dbraw/zinc/57/36/29/361573629.db2.gz RCDVOAXPZJVAML-UHFFFAOYSA-N 0 0 215.590 2.403 10 0 BEAERN CCCc1cc(N)sc1C(=O)OCC ZINC000139159781 361581306 /nfs/dbraw/zinc/58/13/06/361581306.db2.gz BWIRSOFKNCRFGK-UHFFFAOYSA-N 0 0 213.302 2.460 10 0 BEAERN CCn1ccnc1CSCCCF ZINC000161918501 201246426 /nfs/dbraw/zinc/24/64/26/201246426.db2.gz PTJYOBKFWKWZPD-UHFFFAOYSA-N 0 0 202.298 2.496 10 0 BEAERN CC[C@H]1COCCN1c1ccc(C=O)s1 ZINC000070609277 361612751 /nfs/dbraw/zinc/61/27/51/361612751.db2.gz CNSIXMZUVOJJGC-VIFPVBQESA-N 0 0 225.313 2.176 10 0 BEAERN Nc1ccn(Cc2ccc3ccccc3n2)n1 ZINC000037418754 364018239 /nfs/dbraw/zinc/01/82/39/364018239.db2.gz VDUBAACHWZUOEP-UHFFFAOYSA-N 0 0 224.267 2.062 10 0 BEAERN CCC[C@H](C)C(=O)NCC[C@@H]1CCCC[C@H]1O ZINC000725263904 541336698 /nfs/dbraw/zinc/33/66/98/541336698.db2.gz ARNRLVFMHPXSCO-RWMBFGLXSA-N 0 0 241.375 2.480 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12 ZINC000725263520 541336973 /nfs/dbraw/zinc/33/69/73/541336973.db2.gz MOTKQUFMKZGIBV-SDDRHHMPSA-N 0 0 239.359 2.496 10 0 BEAERN COc1cccc2c1N[C@@H](CC1CC1)[C@@H](O)C2 ZINC000725268680 541338336 /nfs/dbraw/zinc/33/83/36/541338336.db2.gz YEYMDMRAIPMOGZ-RYUDHWBXSA-N 0 0 233.311 2.193 10 0 BEAERN CCC(C)(CC)NC(=O)c1cc(OC)ccn1 ZINC000116025599 370724497 /nfs/dbraw/zinc/72/44/97/370724497.db2.gz LGWDXAOASBZXIA-UHFFFAOYSA-N 0 0 236.315 2.399 10 0 BEAERN CCC[C@@H]1CC(=O)CC[C@H]1C(=O)OCC ZINC000725271544 541339817 /nfs/dbraw/zinc/33/98/17/541339817.db2.gz PCBAIAZSFBFHCJ-MWLCHTKSSA-N 0 0 212.289 2.335 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1CCC[C@H](O)[C@H]1C ZINC000452725891 202642934 /nfs/dbraw/zinc/64/29/34/202642934.db2.gz FFWBXJGMXGUYEP-UTUOFQBUSA-N 0 0 241.375 2.431 10 0 BEAERN [NH3+]CC1(CC(=O)[O-])C[C@H]2CCCC[C@@H]2C1 ZINC000034381099 181359379 /nfs/dbraw/zinc/35/93/79/181359379.db2.gz ONKWZNBXHSMMDK-NXEZZACHSA-N 0 0 211.305 2.006 10 0 BEAERN Nc1ccccc1S[C@H]1CCC[C@@H]1O ZINC000037690534 364529581 /nfs/dbraw/zinc/52/95/81/364529581.db2.gz QYICOVGGESROEZ-ONGXEEELSA-N 0 0 209.314 2.274 10 0 BEAERN CN(Cc1nccs1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000387419354 364687711 /nfs/dbraw/zinc/68/77/11/364687711.db2.gz MBTILZVMLKZYHB-ILWJIGKKSA-N 0 0 236.340 2.148 10 0 BEAERN CCOC(Cc1ccc2c(c1)OCO2)OCC ZINC000043503143 364742887 /nfs/dbraw/zinc/74/28/87/364742887.db2.gz QLAGESMXNDLSIP-UHFFFAOYSA-N 0 0 238.283 2.357 10 0 BEAERN OC[C@@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000038221497 364718833 /nfs/dbraw/zinc/71/88/33/364718833.db2.gz BCDVRNCZMZEOBT-OLZOCXBDSA-N 0 0 222.284 2.263 10 0 BEAERN COC[C@H](C)C(=O)NC1(C)CCCCC1 ZINC000171459049 364868381 /nfs/dbraw/zinc/86/83/81/364868381.db2.gz HNUDMAIHUIZGBP-JTQLQIEISA-N 0 0 213.321 2.108 10 0 BEAERN CCOC(=O)C[C@@]1(O)C[C@H](C)C[C@H](C)C1 ZINC000250699393 541440036 /nfs/dbraw/zinc/44/00/36/541440036.db2.gz RZYGKQMLHSHNGK-PEGIJTEDSA-N 0 0 214.305 2.127 10 0 BEAERN OC1CC(CNc2nccc3ccccc32)C1 ZINC000168701861 364990202 /nfs/dbraw/zinc/99/02/02/364990202.db2.gz ZYWPUJOQOOWDBZ-UHFFFAOYSA-N 0 0 228.295 2.418 10 0 BEAERN CCOC(=O)[C@H](O)C1(F)CCC(C(C)C)CC1 ZINC000675053933 541433033 /nfs/dbraw/zinc/43/30/33/541433033.db2.gz RBRMPXRCCIIYER-AKJDGMEZSA-N 0 0 246.322 2.465 10 0 BEAERN Cc1noc2[nH]c(CC3CC3)cc(=O)c12 ZINC000669384184 541437710 /nfs/dbraw/zinc/43/77/10/541437710.db2.gz PTEJRQUSLTWGDE-UHFFFAOYSA-N 0 0 204.229 2.189 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000171468733 365075441 /nfs/dbraw/zinc/07/54/41/365075441.db2.gz IYUVDCAWVYWAJE-SNVBAGLBSA-N 0 0 249.310 2.233 10 0 BEAERN CC(C)CC(=O)N1CCc2c(N)cccc2C1 ZINC000057520814 1172331651 /nfs/dbraw/zinc/33/16/51/1172331651.db2.gz CIQXGCMQGGHSAM-UHFFFAOYSA-N 0 0 232.327 2.200 10 0 BEAERN [NH3+]C[C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000076137360 181418712 /nfs/dbraw/zinc/41/87/12/181418712.db2.gz WLZXJUBEMMWVOI-SSDOTTSWSA-N 0 0 248.109 2.195 10 0 BEAERN COC[C@@H](C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000171428441 365198406 /nfs/dbraw/zinc/19/84/06/365198406.db2.gz TVPFTSPIRJSFSB-SNVBAGLBSA-N 0 0 239.290 2.067 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000171443669 365200325 /nfs/dbraw/zinc/20/03/25/365200325.db2.gz ZIWUNRUWKLBRCV-ZETCQYMHSA-N 0 0 247.747 2.300 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000171461081 365201386 /nfs/dbraw/zinc/20/13/86/365201386.db2.gz WOPBRMXFIACTCO-SDDRHHMPSA-N 0 0 227.348 2.211 10 0 BEAERN COC[C@@H](C)C(=O)NCC1CCC(C)CC1 ZINC000171459871 365201634 /nfs/dbraw/zinc/20/16/34/365201634.db2.gz JZWKRTMJTQYFKT-MOENNCHZSA-N 0 0 227.348 2.211 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)N1CCS[C@@H](C)C1 ZINC000172506813 365333771 /nfs/dbraw/zinc/33/37/71/365333771.db2.gz QYGMAUBCCSICMP-QWRGUYRKSA-N 0 0 244.404 2.425 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccncc1Cl ZINC000174872565 365519262 /nfs/dbraw/zinc/51/92/62/365519262.db2.gz BNAOTSQPZHGXJL-NXEZZACHSA-N 0 0 240.734 2.344 10 0 BEAERN C=C(Br)[S@](=O)C(F)(F)F ZINC000675049937 541462144 /nfs/dbraw/zinc/46/21/44/541462144.db2.gz BCQVSSNYAIOBHN-VIFPVBQESA-N 0 0 223.013 2.121 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H](C2CCC(F)(F)CC2)C[NH2+]1 ZINC000675060490 541463459 /nfs/dbraw/zinc/46/34/59/541463459.db2.gz ZKDIEWRXHRCJGG-UWVGGRQHSA-N 0 0 247.285 2.265 10 0 BEAERN C[C@H]1CC[C@H](C)c2c1c[nH+]c(N)c2C(=O)[O-] ZINC000675063340 541464604 /nfs/dbraw/zinc/46/46/04/541464604.db2.gz COFIZMGCAOSIEO-BQBZGAKWSA-N 0 0 220.272 2.363 10 0 BEAERN O=Cc1cc(N2CC(C(F)F)C2)cs1 ZINC000675063294 541464822 /nfs/dbraw/zinc/46/48/22/541464822.db2.gz BDJJLPUGYMPKJW-UHFFFAOYSA-N 0 0 217.240 2.262 10 0 BEAERN O=Cc1ccc(N2CCC[C@@H](CF)C2)o1 ZINC000675064764 541466990 /nfs/dbraw/zinc/46/69/90/541466990.db2.gz SEVWTPVTOYIELI-VIFPVBQESA-N 0 0 211.236 2.278 10 0 BEAERN CC1CCC([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC1 ZINC000257757686 541484278 /nfs/dbraw/zinc/48/42/78/541484278.db2.gz ARQJSXXEMYSSBD-KIDURHIOSA-N 0 0 225.332 2.123 10 0 BEAERN CCc1c[nH]c(C=CBr)n1 ZINC000685964610 541498223 /nfs/dbraw/zinc/49/82/23/541498223.db2.gz PNJHZPNCQWFORU-ONEGZZNKSA-N 0 0 201.067 2.338 10 0 BEAERN CC(C)[C@H]1CCNc2c3c(nn21)NCCC3 ZINC000232734835 541507175 /nfs/dbraw/zinc/50/71/75/541507175.db2.gz DDDMDSAQAUURSY-SNVBAGLBSA-N 0 0 220.320 2.254 10 0 BEAERN CNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179458556 541504993 /nfs/dbraw/zinc/50/49/93/541504993.db2.gz DROGJKFDTXNCML-NSHDSACASA-N 0 0 222.263 2.132 10 0 BEAERN C1CC1[C@@H]1CCNc2nc(C3CCC3)nn21 ZINC000232570558 541505117 /nfs/dbraw/zinc/50/51/17/541505117.db2.gz WMHDMCVPKPONBN-JTQLQIEISA-N 0 0 218.304 2.312 10 0 BEAERN CC(C)[C@H]1CCNc2c3cccnc3nn21 ZINC000232742971 541506072 /nfs/dbraw/zinc/50/60/72/541506072.db2.gz VVLLSBKRVWIFSX-SNVBAGLBSA-N 0 0 216.288 2.444 10 0 BEAERN COC(=O)[C@H]1COc2c1cc(Cl)cc2C ZINC000685952000 541497324 /nfs/dbraw/zinc/49/73/24/541497324.db2.gz OFWXGOUBDQXUFK-VIFPVBQESA-N 0 0 226.659 2.297 10 0 BEAERN CC[C@H]1[C@@H](C)CNc2c3c(nn21)NCCC3 ZINC000234088043 541510629 /nfs/dbraw/zinc/51/06/29/541510629.db2.gz HOCDDZJQXCCAEZ-WPRPVWTQSA-N 0 0 220.320 2.254 10 0 BEAERN CCc1nc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000234231654 541511912 /nfs/dbraw/zinc/51/19/12/541511912.db2.gz HHRTWMGVGAKZFM-WDSKDSINSA-N 0 0 234.225 2.148 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]1(C)CC(C)(C)C ZINC000384733082 541515855 /nfs/dbraw/zinc/51/58/55/541515855.db2.gz KCABCIFUCITBFM-GZMMTYOYSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@@H]1CCCCN1Cc1nnc(C2CC2)n1C ZINC000195011435 367332623 /nfs/dbraw/zinc/33/26/23/367332623.db2.gz SSUFTWRDEOMFID-SNVBAGLBSA-N 0 0 234.347 2.067 10 0 BEAERN C[C@H]1OCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000381977715 367475369 /nfs/dbraw/zinc/47/53/69/367475369.db2.gz APPSUDURCUISPS-GPTAZTBJSA-N 0 0 217.312 2.467 10 0 BEAERN CC[N@@H+](CC(=O)[O-])C[C@@H]1CCCCC1(F)F ZINC000381560161 367430596 /nfs/dbraw/zinc/43/05/96/367430596.db2.gz WGYZYMAFADGRHZ-VIFPVBQESA-N 0 0 235.274 2.218 10 0 BEAERN COC(=O)c1cccnc1CN1CCC=C(C)C1 ZINC000382527540 367533488 /nfs/dbraw/zinc/53/34/88/367533488.db2.gz HTYJREPBACTBHQ-UHFFFAOYSA-N 0 0 246.310 2.020 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)/C=C\c1ccccc1 ZINC000384729960 367721786 /nfs/dbraw/zinc/72/17/86/367721786.db2.gz JHVXTXQDIOYCSH-YBBGCYHPSA-N 0 0 245.322 2.072 10 0 BEAERN C[C@H](CC(C)(C)O)NC(=O)[C@H]1CCC[C@H]1C ZINC000385255690 367813692 /nfs/dbraw/zinc/81/36/92/367813692.db2.gz XREKFHZULMGSFI-MXWKQRLJSA-N 0 0 227.348 2.088 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Nc1ccccc1C ZINC000527391775 367999023 /nfs/dbraw/zinc/99/90/23/367999023.db2.gz PXBAGHIMGZLPQU-SNVBAGLBSA-N 0 0 235.283 2.133 10 0 BEAERN [O-][n+]1c(-c2ccccn2)cccc1-c1ccccn1 ZINC000035654021 368323812 /nfs/dbraw/zinc/32/38/12/368323812.db2.gz TYYUBBQCPHOPPT-UHFFFAOYSA-N 0 0 249.273 2.444 10 0 BEAERN [O-][n+]1ccccc1-c1cccc(-c2ccccn2)n1 ZINC000035654019 368324088 /nfs/dbraw/zinc/32/40/88/368324088.db2.gz BWRXIGQRGNDRON-UHFFFAOYSA-N 0 0 249.273 2.444 10 0 BEAERN O=C(c1ccc(O)cc1)c1cc(O)ccc1O ZINC000038313466 368325764 /nfs/dbraw/zinc/32/57/64/368325764.db2.gz ZYVHNBIJFJZZNO-UHFFFAOYSA-N 0 0 230.219 2.034 10 0 BEAERN COc1cccc2c1CCC[C@H]2CCO ZINC000039075572 368328585 /nfs/dbraw/zinc/32/85/85/368328585.db2.gz IZSJPNVUSCSICS-JTQLQIEISA-N 0 0 206.285 2.498 10 0 BEAERN O=C(Cc1cnccn1)c1ccc(F)cc1 ZINC000059469893 368333624 /nfs/dbraw/zinc/33/36/24/368333624.db2.gz XZOODJULVBPISP-UHFFFAOYSA-N 0 0 216.215 2.041 10 0 BEAERN CNC(=O)c1cnccc1-c1ccccc1C ZINC000060054637 368334967 /nfs/dbraw/zinc/33/49/67/368334967.db2.gz JDNRCYYJKQNKQE-UHFFFAOYSA-N 0 0 226.279 2.417 10 0 BEAERN CC(=O)c1ccc2c(c1)N(C)C(=O)C2(C)C ZINC000060034241 368335017 /nfs/dbraw/zinc/33/50/17/368335017.db2.gz NLHVORPSUOMFBK-UHFFFAOYSA-N 0 0 217.268 2.143 10 0 BEAERN CN(c1cccnc1)c1ncccc1C=O ZINC000117921910 368343533 /nfs/dbraw/zinc/34/35/33/368343533.db2.gz FVCFLGCWDWDPCW-UHFFFAOYSA-N 0 0 213.240 2.057 10 0 BEAERN C=CN1Cc2c(cccc2-c2ncco2)C1=O ZINC000145606485 368349694 /nfs/dbraw/zinc/34/96/94/368349694.db2.gz NKDXPRODQGUWAE-UHFFFAOYSA-N 0 0 226.235 2.441 10 0 BEAERN O=C=N[C@H](Cl)c1ccc(Cl)nc1 ZINC000224579685 368366213 /nfs/dbraw/zinc/36/62/13/368366213.db2.gz SNOMKXQSWGTTPA-ZETCQYMHSA-N 0 0 203.028 2.308 10 0 BEAERN C/C=C\C(=O)OCC(F)(F)C(F)F ZINC000096268952 368382514 /nfs/dbraw/zinc/38/25/14/368382514.db2.gz BNMLMDYKLCGBCC-IHWYPQMZSA-N 0 0 200.131 2.006 10 0 BEAERN Cc1ccc2c(c1)CC[C@H]1CC(=O)CCN21 ZINC000000022613 368478476 /nfs/dbraw/zinc/47/84/76/368478476.db2.gz QZQDAVNKWYDXLA-LBPRGKRZSA-N 0 0 215.296 2.479 10 0 BEAERN Cc1cn2c(nc3ccccc3c2=O)s1 ZINC000001633006 368664368 /nfs/dbraw/zinc/66/43/68/368664368.db2.gz DISCGWZVPNFZMX-UHFFFAOYSA-N 0 0 216.265 2.218 10 0 BEAERN CCn1cc(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cn1 ZINC000253194668 368612528 /nfs/dbraw/zinc/61/25/28/368612528.db2.gz QLRLTQAOHLWDPP-URLYPYJESA-N 0 0 204.273 2.132 10 0 BEAERN CC[C@@H](O)C1(c2cccc(O)c2)CC[NH+](C)CC1 ZINC000082312291 368671510 /nfs/dbraw/zinc/67/15/10/368671510.db2.gz CUWNYXLTWXEDNK-CQSZACIVSA-N 0 0 249.354 2.127 10 0 BEAERN CCOC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCO2 ZINC000001685930 368681533 /nfs/dbraw/zinc/68/15/33/368681533.db2.gz DPOZBCNKLCURCP-UWVGGRQHSA-N 0 0 234.251 2.082 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)C1CCC(=O)CC1 ZINC000074225112 368833724 /nfs/dbraw/zinc/83/37/24/368833724.db2.gz AMHCYOVHGAHOFS-CMPLNLGQSA-N 0 0 223.316 2.051 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)C1CCC(=O)CC1 ZINC000074225108 368833832 /nfs/dbraw/zinc/83/38/32/368833832.db2.gz AMHCYOVHGAHOFS-JQWIXIFHSA-N 0 0 223.316 2.051 10 0 BEAERN COc1ccc(CC(F)(F)F)c(N)c1 ZINC000113258902 368887889 /nfs/dbraw/zinc/88/78/89/368887889.db2.gz IEEWDCLDCHAQTK-UHFFFAOYSA-N 0 0 205.179 2.382 10 0 BEAERN OC1(Cc2ccccn2)Cc2ccccc2C1 ZINC000088527025 368915810 /nfs/dbraw/zinc/91/58/10/368915810.db2.gz KRYRLMVPWDKQTB-UHFFFAOYSA-N 0 0 225.291 2.154 10 0 BEAERN O=C([O-])CC1CCC2(CC[NH2+]CC2)CC1 ZINC000113657016 368900770 /nfs/dbraw/zinc/90/07/70/368900770.db2.gz XFGYKKJEYHJEIR-UHFFFAOYSA-N 0 0 211.305 2.021 10 0 BEAERN COc1ccc2c(c1)C(C)(C)CN2C(C)=O ZINC000118291332 368970275 /nfs/dbraw/zinc/97/02/75/368970275.db2.gz UJTAWOIWCRBJTH-UHFFFAOYSA-N 0 0 219.284 2.339 10 0 BEAERN COC(=O)COc1ccc(C=O)c2ccccc12 ZINC000090212186 368974399 /nfs/dbraw/zinc/97/43/99/368974399.db2.gz GQFUTCFWIUSKGY-UHFFFAOYSA-N 0 0 244.246 2.204 10 0 BEAERN Nc1cc2cc(-c3cn[nH]c3)ccc2cn1 ZINC000114087045 368920611 /nfs/dbraw/zinc/92/06/11/368920611.db2.gz JOBORGRQIFWVIS-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN COC(=O)Nc1cc2c(cn1)[nH]c1ccccc12 ZINC000005141050 369005090 /nfs/dbraw/zinc/00/50/90/369005090.db2.gz WCNHWQATGLIDEY-UHFFFAOYSA-N 0 0 241.250 2.316 10 0 BEAERN Cc1ccc(S(=O)(=O)c2ccccc2)cc1N ZINC000115986911 369015129 /nfs/dbraw/zinc/01/51/29/369015129.db2.gz NYZOZUKLVNFATC-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN Cc1ccc(Br)c(N)c1O ZINC000215097632 369048518 /nfs/dbraw/zinc/04/85/18/369048518.db2.gz RWPPLGLNFKMRHK-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN COP(=O)(OC)[C@@H](O)c1ccc(C)cc1 ZINC000090556536 368988534 /nfs/dbraw/zinc/98/85/34/368988534.db2.gz CXWWOURIHBVTKT-SNVBAGLBSA-N 0 0 230.200 2.472 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1cccc(F)c1 ZINC000115354609 368989488 /nfs/dbraw/zinc/98/94/88/368989488.db2.gz PFGOEOOUOBGOBD-JTQLQIEISA-N 0 0 249.241 2.101 10 0 BEAERN CC(C)(C)C(=O)Nc1cccc(C=O)c1 ZINC000090669365 368992795 /nfs/dbraw/zinc/99/27/95/368992795.db2.gz NNEBHRSHMHUSMD-UHFFFAOYSA-N 0 0 205.257 2.484 10 0 BEAERN C=CC[C@@H](C(=O)OC)c1ccc(C(=O)OC)cc1 ZINC000137395453 368994292 /nfs/dbraw/zinc/99/42/92/368994292.db2.gz MPVMGBGNOCQPSX-GFCCVEGCSA-N 0 0 248.278 2.306 10 0 BEAERN Nc1ccnc(-c2occc2Br)n1 ZINC000161432914 369066374 /nfs/dbraw/zinc/06/63/74/369066374.db2.gz PDHIFGJPHOSLLS-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CSCc1nc2c(s1)[C@@H](O)CCC2 ZINC000054497093 369074147 /nfs/dbraw/zinc/07/41/47/369074147.db2.gz NHNGTDCMFDFEIP-ZETCQYMHSA-N 0 0 215.343 2.376 10 0 BEAERN CC[C@@H](C)Nc1nc(N)cc(Br)n1 ZINC000161444768 369089800 /nfs/dbraw/zinc/08/98/00/369089800.db2.gz HDBKCZBNVOCPCI-RXMQYKEDSA-N 0 0 245.124 2.032 10 0 BEAERN Cc1cc(CO)nc(-c2ccsc2)n1 ZINC000054830241 369101649 /nfs/dbraw/zinc/10/16/49/369101649.db2.gz LUASNZIWIGCDMX-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN Cc1cc(C=O)nc(-c2ccsc2)n1 ZINC000054830606 369102106 /nfs/dbraw/zinc/10/21/06/369102106.db2.gz LKJXIYDMLSQUQU-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1c1ncco1 ZINC000616693263 369115724 /nfs/dbraw/zinc/11/57/24/369115724.db2.gz UQRSPFXFFBJRPF-CYBMUJFWSA-N 0 0 242.278 2.169 10 0 BEAERN C[C@@H](O)c1cnc(N2CCC[C@@H]2C)s1 ZINC000054910140 369110202 /nfs/dbraw/zinc/11/02/02/369110202.db2.gz MGPIKTJTPCVZEN-JGVFFNPUSA-N 0 0 212.318 2.185 10 0 BEAERN Cc1nc(N(C)C2CC2)sc1[C@@H](C)O ZINC000054910801 369110315 /nfs/dbraw/zinc/11/03/15/369110315.db2.gz FYESLKWQQDQPBA-SSDOTTSWSA-N 0 0 212.318 2.103 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1ccno1 ZINC000616692578 369114418 /nfs/dbraw/zinc/11/44/18/369114418.db2.gz XYLCMBLEPDQJBN-LLVKDONJSA-N 0 0 215.256 2.278 10 0 BEAERN Cc1csc(Cc2nccc(Cl)n2)n1 ZINC000055266604 369169355 /nfs/dbraw/zinc/16/93/55/369169355.db2.gz AGDCPQBHZPTWDK-UHFFFAOYSA-N 0 0 225.704 2.486 10 0 BEAERN Cc1csc(Cc2nc(C=O)cs2)n1 ZINC000055266563 369168672 /nfs/dbraw/zinc/16/86/72/369168672.db2.gz VXLFSBPJKNSYBD-UHFFFAOYSA-N 0 0 224.310 2.311 10 0 BEAERN CN[C@H](c1nccs1)c1nc(C)cs1 ZINC000161503432 369187486 /nfs/dbraw/zinc/18/74/86/369187486.db2.gz BNMKPCIAQOWAOT-SSDOTTSWSA-N 0 0 225.342 2.217 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCC(F)(F)C1 ZINC000405031724 369443629 /nfs/dbraw/zinc/44/36/29/369443629.db2.gz BPJQQZDMLGQCSA-ILWJIGKKSA-N 0 0 229.270 2.290 10 0 BEAERN O=C(Nc1ccc(O)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250016951 369482847 /nfs/dbraw/zinc/48/28/47/369482847.db2.gz YSNDFFFFAORBPV-ILWJIGKKSA-N 0 0 217.268 2.377 10 0 BEAERN O=C(NCCc1ccc(O)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250265128 369498567 /nfs/dbraw/zinc/49/85/67/369498567.db2.gz WQSYGXMRTTXUFY-CLLJXQQHSA-N 0 0 245.322 2.097 10 0 BEAERN CCOC(=O)[C@@H](C)NC1(C2CCC2)CCC1 ZINC000459756113 203358934 /nfs/dbraw/zinc/35/89/34/203358934.db2.gz FSWKYDWZYKXTSP-SNVBAGLBSA-N 0 0 225.332 2.250 10 0 BEAERN CCOC(=O)c1ccc2sncc2c1 ZINC000260008371 370964735 /nfs/dbraw/zinc/96/47/35/370964735.db2.gz GHQAIFHSGCWPDR-UHFFFAOYSA-N 0 0 207.254 2.473 10 0 BEAERN Cc1nc(C[C@H](O)c2nccs2)cs1 ZINC000161527582 370002951 /nfs/dbraw/zinc/00/29/51/370002951.db2.gz JZOWNGMJSHDDRS-QMMMGPOBSA-N 0 0 226.326 2.184 10 0 BEAERN O=C(CCC1CCCCC1)NC1CC(CO)C1 ZINC000620889221 370044909 /nfs/dbraw/zinc/04/49/09/370044909.db2.gz MRHWYWIDSSMFNH-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN CC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1nccs1 ZINC000130895414 370073732 /nfs/dbraw/zinc/07/37/32/370073732.db2.gz GECKQHZSNDWBDF-CIUDSAMLSA-N 0 0 224.329 2.366 10 0 BEAERN Cc1ccc(CCC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075522574 370141822 /nfs/dbraw/zinc/14/18/22/370141822.db2.gz MJSLGQIDFUHAJP-AAEUAGOBSA-N 0 0 217.312 2.452 10 0 BEAERN Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075522584 370141827 /nfs/dbraw/zinc/14/18/27/370141827.db2.gz CDYBPKJHMRNNSP-WCQYABFASA-N 0 0 217.312 2.452 10 0 BEAERN Cc1cccc(CCC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075522586 370142112 /nfs/dbraw/zinc/14/21/12/370142112.db2.gz CDYBPKJHMRNNSP-AAEUAGOBSA-N 0 0 217.312 2.452 10 0 BEAERN C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCC1 ZINC000252978274 370144167 /nfs/dbraw/zinc/14/41/67/370144167.db2.gz BCCWYJYFYIKJJZ-IXLVHKGHSA-N 0 0 207.317 2.337 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CNc1cccc(Cl)c1 ZINC000309770388 370256588 /nfs/dbraw/zinc/25/65/88/370256588.db2.gz KHLPAOFAWOXMMT-KWQFWETISA-N 0 0 238.718 2.277 10 0 BEAERN Cc1cc(Cl)nnc1Br ZINC000520789721 370355310 /nfs/dbraw/zinc/35/53/10/370355310.db2.gz XIZGZDLULLUTCD-UHFFFAOYSA-N 0 0 207.458 2.201 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H](C)OCC1CC1 ZINC000112828203 370358398 /nfs/dbraw/zinc/35/83/98/370358398.db2.gz DGAPENPMYHLSJJ-JTQLQIEISA-N 0 0 227.348 2.496 10 0 BEAERN CCCCN(CC)C(=O)CCc1ccnn1C ZINC000118942621 168792705 /nfs/dbraw/zinc/79/27/05/168792705.db2.gz DRHBWTWFIUPIPH-UHFFFAOYSA-N 0 0 237.347 2.001 10 0 BEAERN CCC[C@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000113420470 370410251 /nfs/dbraw/zinc/41/02/51/370410251.db2.gz YDZHNONHNZCEGA-QMMMGPOBSA-N 0 0 209.293 2.347 10 0 BEAERN COC(=O)c1cccc2cc(C=O)ccc21 ZINC000113627673 370443749 /nfs/dbraw/zinc/44/37/49/370443749.db2.gz BXSPIMHRXGJUDS-UHFFFAOYSA-N 0 0 214.220 2.439 10 0 BEAERN CCc1ccc(CCNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000077661670 370449858 /nfs/dbraw/zinc/44/98/58/370449858.db2.gz UENMWUVUGIILDR-FZMZJTMJSA-N 0 0 246.354 2.499 10 0 BEAERN Cn1ccc(Nc2nc(-c3cn[nH]c3)cs2)n1 ZINC000113681130 370452120 /nfs/dbraw/zinc/45/21/20/370452120.db2.gz PYOABSMMMUNBCC-UHFFFAOYSA-N 0 0 246.299 2.010 10 0 BEAERN OCc1cccc(-c2ccccc2)c1CO ZINC000113936506 370517092 /nfs/dbraw/zinc/51/70/92/370517092.db2.gz PFJGMUWBVMNSSU-UHFFFAOYSA-N 0 0 214.264 2.338 10 0 BEAERN COC(=O)c1cc(N)ccc1-c1cnccc1C ZINC000114027884 370539206 /nfs/dbraw/zinc/53/92/06/370539206.db2.gz IKXVGCFQSZMHMT-UHFFFAOYSA-N 0 0 242.278 2.426 10 0 BEAERN CCC1(CC)N(O)[C@@H](C)C(c2ccccc2)=[N+]1[O-] ZINC000225403375 370548572 /nfs/dbraw/zinc/54/85/72/370548572.db2.gz DJIXJQBTGCHBED-NSHDSACASA-N 0 0 249.334 2.487 10 0 BEAERN CC(=O)Nc1nc(C)c(-c2cccc(N)n2)s1 ZINC000114860040 370604618 /nfs/dbraw/zinc/60/46/18/370604618.db2.gz DOBRSGNWNNIAJK-UHFFFAOYSA-N 0 0 248.311 2.054 10 0 BEAERN CC1(C)CS[C@@H](c2nccs2)N1 ZINC000161615064 370605854 /nfs/dbraw/zinc/60/58/54/370605854.db2.gz KROKQSZVSZHWBQ-ZETCQYMHSA-N 0 0 200.332 2.257 10 0 BEAERN COc1cc(C(F)(F)F)cc(O)c1N ZINC000215348265 370630989 /nfs/dbraw/zinc/63/09/89/370630989.db2.gz QMBHYHLRBXBHGO-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1oc2ncnc(NC(=O)[C@@H]3C[C@@H]3C)c2c1C ZINC000118198505 370999521 /nfs/dbraw/zinc/99/95/21/370999521.db2.gz GYNNKSPKWOUABS-IMTBSYHQSA-N 0 0 245.282 2.434 10 0 BEAERN CCCCN(CC)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000122389212 168795097 /nfs/dbraw/zinc/79/50/97/168795097.db2.gz OUIIRSNHKDXDIW-QWRGUYRKSA-N 0 0 213.321 2.203 10 0 BEAERN CC(C)CO[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000019269261 371129036 /nfs/dbraw/zinc/12/90/36/371129036.db2.gz SBSSDUSTLRVOOI-JTQLQIEISA-N 0 0 236.315 2.268 10 0 BEAERN [NH3+][C@@H](CC[P@@H](=O)[O-])c1ccc(Cl)cc1 ZINC000026974141 181544856 /nfs/dbraw/zinc/54/48/56/181544856.db2.gz RNPLPEJDTXCHOG-VIFPVBQESA-N 0 0 233.635 2.197 10 0 BEAERN NN=c1[nH]c2ccc(F)c(Cl)c2s1 ZINC000045236312 181520745 /nfs/dbraw/zinc/52/07/45/181520745.db2.gz JYSUECHTNMXOGA-UHFFFAOYSA-N 0 0 217.656 2.374 10 0 BEAERN NOCCCCOc1ccc(Cl)cc1 ZINC000045334506 181521565 /nfs/dbraw/zinc/52/15/65/181521565.db2.gz CQKVAIFSWROQPG-UHFFFAOYSA-N 0 0 215.680 2.389 10 0 BEAERN NS(=O)(=O)c1cccc(Oc2ccccc2)c1 ZINC000073635859 181531491 /nfs/dbraw/zinc/53/14/91/181531491.db2.gz MENDSEKLNCZSFF-UHFFFAOYSA-N 0 0 249.291 2.126 10 0 BEAERN N[C@H](c1ncon1)c1ccccc1C(F)(F)F ZINC000036762137 181634725 /nfs/dbraw/zinc/63/47/25/181634725.db2.gz PDNCLTIQJOFLST-QMMMGPOBSA-N 0 0 243.188 2.137 10 0 BEAERN Nc1c(F)cccc1C(=O)Nc1nccs1 ZINC000054205742 181669381 /nfs/dbraw/zinc/66/93/81/181669381.db2.gz KVZUNJRMBUBVRG-UHFFFAOYSA-N 0 0 237.259 2.117 10 0 BEAERN Nc1c(F)cccc1C(=O)NC(C1CC1)C1CC1 ZINC000054212412 181669395 /nfs/dbraw/zinc/66/93/95/181669395.db2.gz MZNDZQDQGRHRPY-UHFFFAOYSA-N 0 0 248.301 2.326 10 0 BEAERN Nc1c(F)cc(C(=O)NC2CCCC2)cc1F ZINC000063004626 181670091 /nfs/dbraw/zinc/67/00/91/181670091.db2.gz DSWATPVOLGODNU-UHFFFAOYSA-N 0 0 240.253 2.219 10 0 BEAERN Nc1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000042415077 181673978 /nfs/dbraw/zinc/67/39/78/181673978.db2.gz BEOWYCAMSUUYMK-UHFFFAOYSA-N 0 0 225.198 2.260 10 0 BEAERN Nc1cc(Br)ccc1-c1ncno1 ZINC000040454133 181677269 /nfs/dbraw/zinc/67/72/69/181677269.db2.gz YQQNQJXUGAVBOD-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Nc1cc(F)c(F)cc1-c1nc(C2CC2)no1 ZINC000061563986 181684856 /nfs/dbraw/zinc/68/48/56/181684856.db2.gz YPWCAVYIOLBHRH-UHFFFAOYSA-N 0 0 237.209 2.474 10 0 BEAERN Nc1cc(F)ccc1N1CCCC[C@H]1CCO ZINC000019868503 181687066 /nfs/dbraw/zinc/68/70/66/181687066.db2.gz AOCKVACEBPJTMY-NSHDSACASA-N 0 0 238.306 2.149 10 0 BEAERN Nc1cc(F)ccc1SCCn1ccnc1 ZINC000037195163 181688209 /nfs/dbraw/zinc/68/82/09/181688209.db2.gz DMRKWVNKWIKXEM-UHFFFAOYSA-N 0 0 237.303 2.397 10 0 BEAERN Nc1cc2c(cc1F)O[C@@H](F)C(F)(F)O2 ZINC000091252492 181691383 /nfs/dbraw/zinc/69/13/83/181691383.db2.gz WGPHOAZZFWXVLH-SSDOTTSWSA-N 0 0 223.125 2.068 10 0 BEAERN Nc1ccc(-c2ccc(C=O)s2)cn1 ZINC000075878421 181693944 /nfs/dbraw/zinc/69/39/44/181693944.db2.gz RUGPVXSITGBSGA-UHFFFAOYSA-N 0 0 204.254 2.205 10 0 BEAERN Nc1nnc(-c2ccc(N)cc2Cl)s1 ZINC000082540590 181695682 /nfs/dbraw/zinc/69/56/82/181695682.db2.gz CFFIHOFIWCNIDQ-UHFFFAOYSA-N 0 0 226.692 2.023 10 0 BEAERN Nc1ccc(-c2nc(-c3ccccn3)no2)s1 ZINC000102029996 181696103 /nfs/dbraw/zinc/69/61/03/181696103.db2.gz NUHYYDVQLDSCHE-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN CSCCCCNC(=O)CCCSC ZINC000125817776 371414281 /nfs/dbraw/zinc/41/42/81/371414281.db2.gz FWDUKYWOZOVGCV-UHFFFAOYSA-N 0 0 235.418 2.389 10 0 BEAERN CC(C)c1cc(N[C@H](C)[C@H](C)CO)ncn1 ZINC000125631489 371369391 /nfs/dbraw/zinc/36/93/91/371369391.db2.gz WRRZSTUHQWWXAR-NXEZZACHSA-N 0 0 223.320 2.029 10 0 BEAERN Nc1ccc(Cl)cc1C(=O)NC1CCC1 ZINC000052206444 181709548 /nfs/dbraw/zinc/70/95/48/181709548.db2.gz APDFVTCNEGSGIN-UHFFFAOYSA-N 0 0 224.691 2.205 10 0 BEAERN Nc1ccc(F)c(NC(=O)CC2CC2)c1 ZINC000049728699 181710702 /nfs/dbraw/zinc/71/07/02/181710702.db2.gz XVZVGZFFMKTVLM-UHFFFAOYSA-N 0 0 208.236 2.147 10 0 BEAERN Nc1ccc(N2CCCC2=O)cc1Cl ZINC000082656059 181713219 /nfs/dbraw/zinc/71/32/19/181713219.db2.gz YTQOFNKESZDBSW-UHFFFAOYSA-N 0 0 210.664 2.049 10 0 BEAERN Nc1ccc(N(CCO)C2CCCC2)c(F)c1 ZINC000042502190 181713478 /nfs/dbraw/zinc/71/34/78/181713478.db2.gz SAPGKLVPCZKQRS-UHFFFAOYSA-N 0 0 238.306 2.149 10 0 BEAERN Nc1ccc2c(c1)O[C@@](F)(Cl)C(F)(F)O2 ZINC000059565752 181730392 /nfs/dbraw/zinc/73/03/92/181730392.db2.gz WOINQMFAPAESTP-SSDOTTSWSA-N 0 0 239.580 2.495 10 0 BEAERN Nc1ccnc(Cc2ccccc2Cl)n1 ZINC000050847130 181763733 /nfs/dbraw/zinc/76/37/33/181763733.db2.gz AGRUWZAUDQXSNS-UHFFFAOYSA-N 0 0 219.675 2.303 10 0 BEAERN Nc1cnc(Nc2cccc(F)c2F)nc1 ZINC000040455879 181768760 /nfs/dbraw/zinc/76/87/60/181768760.db2.gz RCTZBTSCGORDNK-UHFFFAOYSA-N 0 0 222.198 2.081 10 0 BEAERN Nc1ccccc1[S@@](=O)C1CCCC1 ZINC000042194238 181758963 /nfs/dbraw/zinc/75/89/63/181758963.db2.gz UJISLCHIUKGHCC-CQSZACIVSA-N 0 0 209.314 2.319 10 0 BEAERN C[C@@H]1CN[C@@H](c2cscn2)SC1 ZINC000126792750 371550489 /nfs/dbraw/zinc/55/04/89/371550489.db2.gz QMEMKJHWKDQQJB-HTRCEHHLSA-N 0 0 200.332 2.114 10 0 BEAERN CON[C@H]1c2cccc(Cl)c2O[C@@H]1C ZINC000131271935 371579896 /nfs/dbraw/zinc/57/98/96/371579896.db2.gz JTRKDNRVFBATJB-HZGVNTEJSA-N 0 0 213.664 2.313 10 0 BEAERN Nc1nc(-c2ccccc2Br)no1 ZINC000052708829 181776784 /nfs/dbraw/zinc/77/67/84/181776784.db2.gz AAKMBSFXGXTQNV-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Nc1nc(-c2cccc(Br)c2)no1 ZINC000041283099 181777294 /nfs/dbraw/zinc/77/72/94/181777294.db2.gz OKYYATZPCNKABE-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CCn1cc(Oc2ccc(Cl)nn2)cn1 ZINC000162011661 371600936 /nfs/dbraw/zinc/60/09/36/371600936.db2.gz YPAJILXEYXYQHD-UHFFFAOYSA-N 0 0 224.651 2.139 10 0 BEAERN CON[C@H]1COc2c1c(Cl)ccc2C ZINC000131494528 371612075 /nfs/dbraw/zinc/61/20/75/371612075.db2.gz IEIVCERRSIKHIX-QMMMGPOBSA-N 0 0 213.664 2.233 10 0 BEAERN Cc1cc(Cl)cc([C@H]([NH3+])CC(=O)[O-])c1 ZINC000215697197 371614335 /nfs/dbraw/zinc/61/43/35/371614335.db2.gz IKVJGFRWEZLVMW-SECBINFHSA-N 0 0 213.664 2.123 10 0 BEAERN C[C@H](CO)Sc1cc(Cl)ccc1N ZINC000162354684 371664129 /nfs/dbraw/zinc/66/41/29/371664129.db2.gz MTGHGJHJDQGURZ-ZCFIWIBFSA-N 0 0 217.721 2.395 10 0 BEAERN CON[C@@H](C)c1ccc(Br)o1 ZINC000131757502 371667888 /nfs/dbraw/zinc/66/78/88/371667888.db2.gz UKHPGENQBHHBEH-YFKPBYRVSA-N 0 0 220.066 2.254 10 0 BEAERN Fc1cc(F)c(NC2COC2)c(Cl)c1 ZINC000215736826 371623789 /nfs/dbraw/zinc/62/37/89/371623789.db2.gz LKDKIPNJSBEXFW-UHFFFAOYSA-N 0 0 219.618 2.429 10 0 BEAERN CC(=O)c1ccc(Sc2ncccn2)o1 ZINC000131587394 371629028 /nfs/dbraw/zinc/62/90/28/371629028.db2.gz TUMCQIUVALBDPJ-UHFFFAOYSA-N 0 0 220.253 2.423 10 0 BEAERN Cn1ccnc1Sc1ccc(CO)s1 ZINC000230006298 371632744 /nfs/dbraw/zinc/63/27/44/371632744.db2.gz GPUIMFHRFUZZRB-UHFFFAOYSA-N 0 0 226.326 2.125 10 0 BEAERN CC(=O)CC(=O)Nc1cc(F)cc(Cl)c1 ZINC000230015379 371636103 /nfs/dbraw/zinc/63/61/03/371636103.db2.gz ZWDWEULVNCGZAA-UHFFFAOYSA-N 0 0 229.638 2.397 10 0 BEAERN CSCCC(=O)N[C@@H](C)C1CCC1 ZINC000131639023 371638833 /nfs/dbraw/zinc/63/88/33/371638833.db2.gz YHHISPCJKNIADZ-QMMMGPOBSA-N 0 0 201.335 2.044 10 0 BEAERN C[C@@H](CO)Sc1ccc(Cl)cc1N ZINC000162331386 371657717 /nfs/dbraw/zinc/65/77/17/371657717.db2.gz VURGUEAOFAEREE-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1ccccc1Cl ZINC000216309071 371739254 /nfs/dbraw/zinc/73/92/54/371739254.db2.gz QJXSOPAMQRKNSJ-SECBINFHSA-N 0 0 227.691 2.451 10 0 BEAERN Nc1nccc(/C=C/c2cccc(F)c2)n1 ZINC000058487378 181799206 /nfs/dbraw/zinc/79/92/06/181799206.db2.gz OTMHIGVBPHYWRD-SNAWJCMRSA-N 0 0 215.231 2.368 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCCCC[C@@H]1C ZINC000226735252 371733879 /nfs/dbraw/zinc/73/38/79/371733879.db2.gz IBQROBJUBKYELI-WDEREUQCSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CC[C@H](C)N(c2ncc(N)s2)C1 ZINC000226746094 371735705 /nfs/dbraw/zinc/73/57/05/371735705.db2.gz PKVIVJZODBZPFH-YUMQZZPRSA-N 0 0 211.334 2.350 10 0 BEAERN C[C@H]1CCCCC[N@@H+]1[C@@H](C(=O)[O-])C1CC1 ZINC000226494769 371682014 /nfs/dbraw/zinc/68/20/14/371682014.db2.gz JIHFJSLRKGWQDF-GXSJLCMTSA-N 0 0 211.305 2.114 10 0 BEAERN Nc1ncc2ccc(-c3ccccc3)nc2n1 ZINC000095092868 181798696 /nfs/dbraw/zinc/79/86/96/181798696.db2.gz KDRCQEKWKUQLST-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN CNc1nc(N(C)C)c(Cl)cc1Cl ZINC000226556515 371696646 /nfs/dbraw/zinc/69/66/46/371696646.db2.gz MCPORSBKWSQYQL-UHFFFAOYSA-N 0 0 220.103 2.496 10 0 BEAERN Cc1sc(-c2ncccc2F)nc1N ZINC000131877125 371703258 /nfs/dbraw/zinc/70/32/58/371703258.db2.gz DZDUGBLJRIAXRF-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Cc1ccccc1C(=O)CS[C@@H](C)CO ZINC000162665490 371743010 /nfs/dbraw/zinc/74/30/10/371743010.db2.gz OPOPCLMUPJNPCB-JTQLQIEISA-N 0 0 224.325 2.292 10 0 BEAERN C[C@@H](CO)SCC(=O)c1ccc(F)cc1 ZINC000162680973 371746066 /nfs/dbraw/zinc/74/60/66/371746066.db2.gz ZLYOZGFNGNYOMZ-QMMMGPOBSA-N 0 0 228.288 2.122 10 0 BEAERN Cc1cc(C(=O)OC(C)(C)C)c(C)nn1 ZINC000132126662 371755593 /nfs/dbraw/zinc/75/55/93/371755593.db2.gz NQMVQXWZLRMGTN-UHFFFAOYSA-N 0 0 208.261 2.049 10 0 BEAERN CC[C@H]1C[C@H]1NC(=O)c1ccccc1F ZINC000227008973 371766555 /nfs/dbraw/zinc/76/65/55/371766555.db2.gz UWMDUHUTUFYMIH-GZMMTYOYSA-N 0 0 207.248 2.354 10 0 BEAERN Nc1nccn2c(-c3cccc4[nH]ccc43)cnc12 ZINC000090602363 181803483 /nfs/dbraw/zinc/80/34/83/181803483.db2.gz RYSGHYCPHVPAKO-UHFFFAOYSA-N 0 0 249.277 2.460 10 0 BEAERN C[C@@H](CCO)Nc1cc(Cl)ccc1N ZINC000132322846 371790938 /nfs/dbraw/zinc/79/09/38/371790938.db2.gz KUWPPYHGNRRMNM-ZETCQYMHSA-N 0 0 214.696 2.105 10 0 BEAERN COc1cc(Br)c(F)c(CO)c1 ZINC000216890222 371835932 /nfs/dbraw/zinc/83/59/32/371835932.db2.gz SUIVHZSGGNYIKA-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Nc1nnc(-c2ccc(OC(F)F)cc2)s1 ZINC000019874338 181812284 /nfs/dbraw/zinc/81/22/84/181812284.db2.gz RERGGAMWNHFUOP-UHFFFAOYSA-N 0 0 243.238 2.389 10 0 BEAERN Nc1nnc(-c2cc(Cl)ccc2F)o1 ZINC000019263338 181812379 /nfs/dbraw/zinc/81/23/79/181812379.db2.gz VKZGHDZUFFKJCC-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN COC(=O)c1ccc(N(C)C)c(Cl)c1 ZINC000162711263 371826063 /nfs/dbraw/zinc/82/60/63/371826063.db2.gz YAOGRVFVJWNAEU-UHFFFAOYSA-N 0 0 213.664 2.193 10 0 BEAERN Nc1snnc1COc1ccc2c(c1)CCC2 ZINC000050832659 181820590 /nfs/dbraw/zinc/82/05/90/181820590.db2.gz LGMQIQOSMRNHTP-UHFFFAOYSA-N 0 0 247.323 2.188 10 0 BEAERN Nc1sccc1-c1nc(-c2cccnc2)no1 ZINC000101299491 181820916 /nfs/dbraw/zinc/82/09/16/181820916.db2.gz WPZIWFZWDCHSDF-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN C[C@@H]1CC[C@H](c2nc(Cl)ns2)O1 ZINC000230112631 371852906 /nfs/dbraw/zinc/85/29/06/371852906.db2.gz NFDBAPKVARNMNU-RFZPGFLSSA-N 0 0 204.682 2.432 10 0 BEAERN Clc1nsc(C[C@H]2CCCCO2)n1 ZINC000230114295 371853723 /nfs/dbraw/zinc/85/37/23/371853723.db2.gz JPQXJWPRRGDHJH-ZCFIWIBFSA-N 0 0 218.709 2.303 10 0 BEAERN C[C@@H]1C[C@@H](c2nc(Cl)ns2)CO1 ZINC000230113794 371853838 /nfs/dbraw/zinc/85/38/38/371853838.db2.gz FWYODXAPRVJVQP-RFZPGFLSSA-N 0 0 204.682 2.084 10 0 BEAERN Cc1cc(F)cc(-c2nc(C=O)c[nH]2)c1 ZINC000162791774 371855123 /nfs/dbraw/zinc/85/51/23/371855123.db2.gz ADTGMLXJLQQICF-UHFFFAOYSA-N 0 0 204.204 2.337 10 0 BEAERN Cc1cc(C(=O)c2ncc(C)cn2)cs1 ZINC000132571525 371863011 /nfs/dbraw/zinc/86/30/11/371863011.db2.gz HABDEXCCZXSJSK-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN C[C@@H]1C[C@H](C)CN1C(=O)C(C)(C)Br ZINC000162880307 371872918 /nfs/dbraw/zinc/87/29/18/371872918.db2.gz MVSUFLSGNKBHCP-JGVFFNPUSA-N 0 0 248.164 2.417 10 0 BEAERN Cc1nn(C)cc1-c1ccc(C=O)s1 ZINC000227507785 371877104 /nfs/dbraw/zinc/87/71/04/371877104.db2.gz ADRUMGPTTGWLII-UHFFFAOYSA-N 0 0 206.270 2.270 10 0 BEAERN C[C@]1(C(=O)N2CCCCC2)CCCS1 ZINC000162753684 371841078 /nfs/dbraw/zinc/84/10/78/371841078.db2.gz XTVYBWVTNJOEIV-LLVKDONJSA-N 0 0 213.346 2.285 10 0 BEAERN COC[C@H](C)Nc1cccc(Cl)c1N ZINC000132668549 371890365 /nfs/dbraw/zinc/89/03/65/371890365.db2.gz QHQIOGAIAYBXGW-ZETCQYMHSA-N 0 0 214.696 2.369 10 0 BEAERN CC(=O)CCn1ccc2sccc2c1=O ZINC000162982355 371902320 /nfs/dbraw/zinc/90/23/20/371902320.db2.gz NNECHWQMNPJIDX-UHFFFAOYSA-N 0 0 221.281 2.042 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1ccnc(F)c1 ZINC000227643161 371912946 /nfs/dbraw/zinc/91/29/46/371912946.db2.gz NSKFRMHKGLJICF-NXEZZACHSA-N 0 0 210.252 2.200 10 0 BEAERN CSC[C@H](C)Nc1ncnc(C)c1F ZINC000227653360 371914401 /nfs/dbraw/zinc/91/44/01/371914401.db2.gz TVPUPGPNTIEYNU-LURJTMIESA-N 0 0 215.297 2.088 10 0 BEAERN COc1cccc(C(=O)NC[C@H](C)C2CC2)c1O ZINC000132751116 371914858 /nfs/dbraw/zinc/91/48/58/371914858.db2.gz GDBJRVDXUXHGSJ-VIFPVBQESA-N 0 0 249.310 2.177 10 0 BEAERN Brc1ccnc(N2CC3(CC3)C2)c1 ZINC000227654774 371916795 /nfs/dbraw/zinc/91/67/95/371916795.db2.gz JTLHBTSQMXDJGL-UHFFFAOYSA-N 0 0 239.116 2.444 10 0 BEAERN OC[C@@H]1CCCCN1c1ccnc(Cl)c1 ZINC000227686176 371921677 /nfs/dbraw/zinc/92/16/77/371921677.db2.gz ZVSJPHJXLLNKNN-JTQLQIEISA-N 0 0 226.707 2.086 10 0 BEAERN OCc1cc(Cl)ccc1N1CCCC1 ZINC000163066942 371923573 /nfs/dbraw/zinc/92/35/73/371923573.db2.gz HUJDTKCHKNXNOZ-UHFFFAOYSA-N 0 0 211.692 2.433 10 0 BEAERN Cc1cncc(C(=O)c2cncs2)c1 ZINC000227949562 371962532 /nfs/dbraw/zinc/96/25/32/371962532.db2.gz HSDACRKLHITNNI-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN Clc1ccc(CNc2c[nH]cn2)cn1 ZINC000306221613 372001938 /nfs/dbraw/zinc/00/19/38/372001938.db2.gz PZGYNQLKOLSWRF-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN Cc1cnccc1-c1ncc(CO)s1 ZINC000133076079 371984876 /nfs/dbraw/zinc/98/48/76/371984876.db2.gz MEQRGYONTFNVTH-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN C[C@](O)(CO)c1ccc2c(c1)Cc1ccccc1-2 ZINC000133075242 371984977 /nfs/dbraw/zinc/98/49/77/371984977.db2.gz YGKYMLFJTCSYNM-INIZCTEOSA-N 0 0 240.302 2.458 10 0 BEAERN Cc1cscc1C1N=NC(=S)N1C ZINC000228195390 372003111 /nfs/dbraw/zinc/00/31/11/372003111.db2.gz ABWYAENEBPXIEN-UHFFFAOYSA-N 0 0 211.315 2.141 10 0 BEAERN C[C@H](CC1N=NC(=S)N1C)C(C)(C)C ZINC000228196067 372003115 /nfs/dbraw/zinc/00/31/15/372003115.db2.gz ULXGPIGTDZDISO-SSDOTTSWSA-N 0 0 213.350 2.329 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1cnc(Br)cn1 ZINC000306202939 371998421 /nfs/dbraw/zinc/99/84/21/371998421.db2.gz QUGFASHYHROIOZ-RNFRBKRXSA-N 0 0 242.120 2.450 10 0 BEAERN CN=c1[nH]c2c(s1)[C@H]1CC[C@@H](C2)S1 ZINC000403674967 372015457 /nfs/dbraw/zinc/01/54/57/372015457.db2.gz PTNHAXJEWNJAJH-CAHLUQPWSA-N 0 0 212.343 2.100 10 0 BEAERN O=C(C(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000373329919 181854580 /nfs/dbraw/zinc/85/45/80/181854580.db2.gz BSKBQXOLMRUQOZ-SSDOTTSWSA-N 0 0 246.282 2.114 10 0 BEAERN C[C@H](c1c(F)cccc1F)[S@](C)=O ZINC000306557995 372035230 /nfs/dbraw/zinc/03/52/30/372035230.db2.gz NUXNCSZZPDDLRY-UANNBLPKSA-N 0 0 204.241 2.404 10 0 BEAERN C[C@@H](CNC1N=NC(=S)S1)C1CC1 ZINC000133391252 372035297 /nfs/dbraw/zinc/03/52/97/372035297.db2.gz BGBUADNGGOUGQO-YFKPBYRVSA-N 0 0 215.347 2.285 10 0 BEAERN CC1CN(c2ccc(Br)cn2)C1 ZINC000133428653 372047047 /nfs/dbraw/zinc/04/70/47/372047047.db2.gz GCYQTQXCGOQVAM-UHFFFAOYSA-N 0 0 227.105 2.300 10 0 BEAERN CNc1ccc(C(N)=S)c(Br)c1 ZINC000228204177 372004047 /nfs/dbraw/zinc/00/40/47/372004047.db2.gz IHCUJAIABYRFOY-UHFFFAOYSA-N 0 0 245.145 2.125 10 0 BEAERN CC(C)CN1C(=S)N=NC1[C@@H]1C[C@H]1C ZINC000228212644 372005026 /nfs/dbraw/zinc/00/50/26/372005026.db2.gz QCQXXJHGFIAYFR-HTQZYQBOSA-N 0 0 211.334 2.346 10 0 BEAERN COc1ccc(-c2cnc(N)s2)s1 ZINC000306278232 372006619 /nfs/dbraw/zinc/00/66/19/372006619.db2.gz PVSJGOSQQUNAHQ-UHFFFAOYSA-N 0 0 212.299 2.462 10 0 BEAERN O=C1C[C@@H](c2csc(Br)c2)N1 ZINC000306294290 372007255 /nfs/dbraw/zinc/00/72/55/372007255.db2.gz VWCNZOXIONQUFC-YFKPBYRVSA-N 0 0 232.102 2.072 10 0 BEAERN CC(C)(C)OC(=O)NCCn1cc(Cl)cn1 ZINC000307319252 372110132 /nfs/dbraw/zinc/11/01/32/372110132.db2.gz NGNTUNZZDFNJOD-UHFFFAOYSA-N 0 0 245.710 2.061 10 0 BEAERN CSC(C)(C)Cn1c(C)nnc1Cl ZINC000229138565 372122532 /nfs/dbraw/zinc/12/25/32/372122532.db2.gz NLJCIPSIBUCUAU-UHFFFAOYSA-N 0 0 219.741 2.382 10 0 BEAERN C[C@H](NC1=NC[C@@H](C)S1)C(C)(F)F ZINC000306836999 372072293 /nfs/dbraw/zinc/07/22/93/372072293.db2.gz VGGVZYDIRLEGIF-RITPCOANSA-N 0 0 208.277 2.111 10 0 BEAERN CC1(Nc2ncc(N)cc2Br)CC1 ZINC000228829364 372083214 /nfs/dbraw/zinc/08/32/14/372083214.db2.gz RKIGPIYQQFNTAN-UHFFFAOYSA-N 0 0 242.120 2.391 10 0 BEAERN CC[C@]1(C)C(=O)N[C@@H]1c1csc(C)n1 ZINC000307443465 372120707 /nfs/dbraw/zinc/12/07/07/372120707.db2.gz AUMXQSICVOYTRD-SCZZXKLOSA-N 0 0 210.302 2.039 10 0 BEAERN COC(=O)c1nc(NC2(C)CC2)sc1C ZINC000228947781 372091201 /nfs/dbraw/zinc/09/12/01/372091201.db2.gz LTSUVFXWFFIVEB-UHFFFAOYSA-N 0 0 226.301 2.203 10 0 BEAERN Cc1nn(C)cc1C(=O)[C@@H]1CCCCS1 ZINC000307245776 372101862 /nfs/dbraw/zinc/10/18/62/372101862.db2.gz MPLFHUJNJHXFEN-JTQLQIEISA-N 0 0 224.329 2.197 10 0 BEAERN Cc1nn(C)cc1C(=O)[C@H]1CCCCS1 ZINC000307245777 372102161 /nfs/dbraw/zinc/10/21/61/372102161.db2.gz MPLFHUJNJHXFEN-SNVBAGLBSA-N 0 0 224.329 2.197 10 0 BEAERN C[C@H](Nc1ccnc(Cl)n1)C(F)F ZINC000307737535 372143121 /nfs/dbraw/zinc/14/31/21/372143121.db2.gz VBJUDYOBNPIPBC-BYPYZUCNSA-N 0 0 207.611 2.196 10 0 BEAERN CN(C)NCc1ccc(Br)cc1F ZINC000134067165 372155034 /nfs/dbraw/zinc/15/50/34/372155034.db2.gz VPZNMFZKGBQBSY-UHFFFAOYSA-N 0 0 247.111 2.154 10 0 BEAERN C[C@@]1(Nc2nc(Cl)ncc2Cl)CCOC1 ZINC000229486631 372156367 /nfs/dbraw/zinc/15/63/67/372156367.db2.gz KPXCBCIKWDZGCS-SECBINFHSA-N 0 0 248.113 2.374 10 0 BEAERN CC(C)[C@H](O)C(=O)c1ccc(F)c(F)c1 ZINC000232757715 372158381 /nfs/dbraw/zinc/15/83/81/372158381.db2.gz TZFUMZXOCJZSHY-JTQLQIEISA-N 0 0 214.211 2.164 10 0 BEAERN NN[C@@H](c1ccnc(Cl)c1)C1CCC1 ZINC000229616830 372172802 /nfs/dbraw/zinc/17/28/02/372172802.db2.gz NUYFWLINBNSDFQ-SNVBAGLBSA-N 0 0 211.696 2.040 10 0 BEAERN COc1nc([C@H](O)c2cccs2)cs1 ZINC000307486504 372122990 /nfs/dbraw/zinc/12/29/90/372122990.db2.gz BDSPPEJITROICT-QMMMGPOBSA-N 0 0 227.310 2.295 10 0 BEAERN NN[C@@H](c1ccsc1)[C@H]1CCCS1 ZINC000229663738 372179762 /nfs/dbraw/zinc/17/97/62/372179762.db2.gz UYWROQAWGDUTIJ-BDAKNGLRSA-N 0 0 214.359 2.148 10 0 BEAERN Cc1ccc(CSc2nnc(CN)o2)cc1 ZINC000008039312 372281521 /nfs/dbraw/zinc/28/15/21/372281521.db2.gz GPWDZXGXZLVMIR-UHFFFAOYSA-N 0 0 235.312 2.129 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)C(C)(C)OCC ZINC000631571415 372430841 /nfs/dbraw/zinc/43/08/41/372430841.db2.gz DNOGXOKEZMFVEU-VHSXEESVSA-N 0 0 213.321 2.106 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)OCC ZINC000631571416 372431076 /nfs/dbraw/zinc/43/10/76/372431076.db2.gz DNOGXOKEZMFVEU-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1c(O)cccc1NC(=O)C(F)(F)F ZINC000140593066 372723582 /nfs/dbraw/zinc/72/35/82/372723582.db2.gz ZGCRIIKXWOIEET-UHFFFAOYSA-N 0 0 219.162 2.201 10 0 BEAERN O=C(CN1CCCC1)c1cccc(F)c1 ZINC000035021168 181958795 /nfs/dbraw/zinc/95/87/95/181958795.db2.gz IJFVGOXRUXVKKT-UHFFFAOYSA-N 0 0 207.248 2.104 10 0 BEAERN O=C(CNc1ccccc1)N1C[C@H]2CC[C@@H]1C2 ZINC000049716791 181983084 /nfs/dbraw/zinc/98/30/84/181983084.db2.gz MRYYBPZPKDRCON-WCQYABFASA-N 0 0 230.311 2.109 10 0 BEAERN O=C(COc1ccc(Cl)nc1)C1CC1 ZINC000127095342 182000268 /nfs/dbraw/zinc/00/02/68/182000268.db2.gz WJGBBKXTMYQHRS-UHFFFAOYSA-N 0 0 211.648 2.093 10 0 BEAERN O=C(COc1cccc(C(F)(F)F)n1)C1CC1 ZINC000130034736 182001682 /nfs/dbraw/zinc/00/16/82/182001682.db2.gz RRHKBOTYVXXGDZ-UHFFFAOYSA-N 0 0 245.200 2.458 10 0 BEAERN O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCC[C@H]1CO ZINC000300408339 182013889 /nfs/dbraw/zinc/01/38/89/182013889.db2.gz YVDHBHGMXHMYKJ-FRRDWIJNSA-N 0 0 237.343 2.010 10 0 BEAERN O=C1CCC[S@](=O)c2ccc(Cl)cc21 ZINC000039342327 372952321 /nfs/dbraw/zinc/95/23/21/372952321.db2.gz GKOPXLCBZHBHBJ-CQSZACIVSA-N 0 0 228.700 2.424 10 0 BEAERN O=C(Cc1c(F)cccc1Cl)N1CCCO1 ZINC000125424599 182032907 /nfs/dbraw/zinc/03/29/07/182032907.db2.gz HEHHBZOQPAXCTN-UHFFFAOYSA-N 0 0 243.665 2.186 10 0 BEAERN C[C@@H](NC(=O)N(C)C1CCCC1)[C@H]1CCCO1 ZINC000172310081 372937977 /nfs/dbraw/zinc/93/79/77/372937977.db2.gz XSRUZNVBMULECX-ZYHUDNBSSA-N 0 0 240.347 2.138 10 0 BEAERN O=C(C[C@H]1COCCC1=O)c1ccc(F)cc1 ZINC000085347620 182030688 /nfs/dbraw/zinc/03/06/88/182030688.db2.gz OSKHHMBQTBLEBY-JTQLQIEISA-N 0 0 236.242 2.004 10 0 BEAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCCC1 ZINC000046466910 182031327 /nfs/dbraw/zinc/03/13/27/182031327.db2.gz XGKBPVWWRAZHHY-QJPTWQEYSA-N 0 0 207.317 2.435 10 0 BEAERN OC[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000039437193 372971882 /nfs/dbraw/zinc/97/18/82/372971882.db2.gz BCBMRSQLCNPJFR-CQSZACIVSA-N 0 0 220.312 2.447 10 0 BEAERN CCc1cc(Br)ccc1C(=O)NC ZINC000141551651 372975458 /nfs/dbraw/zinc/97/54/58/372975458.db2.gz GTKZATIZMTUHGF-UHFFFAOYSA-N 0 0 242.116 2.371 10 0 BEAERN O=C(Cc1ccncc1)OC1CCCC1 ZINC000026829422 182055384 /nfs/dbraw/zinc/05/53/84/182055384.db2.gz WRJKRKBRDCTLLB-UHFFFAOYSA-N 0 0 205.257 2.110 10 0 BEAERN O=C(Cc1nc2ccccc2o1)C1CC1 ZINC000034940207 182061049 /nfs/dbraw/zinc/06/10/49/182061049.db2.gz KPQVFYIEDQSALF-UHFFFAOYSA-N 0 0 201.225 2.349 10 0 BEAERN O=C([O-])[C@@H]1CCCCCC[N@@H+]1C/C=C\Cl ZINC000379794386 373062772 /nfs/dbraw/zinc/06/27/72/373062772.db2.gz INGCNWMLPJCKEL-BXKUYDPTSA-N 0 0 231.723 2.458 10 0 BEAERN O=C(Cc1cnc2ccccc2c1)NCC1CC1 ZINC000118765723 182059413 /nfs/dbraw/zinc/05/94/13/182059413.db2.gz JBRYSULXMHFTGC-UHFFFAOYSA-N 0 0 240.306 2.304 10 0 BEAERN Cc1[nH]c(C(=O)[C@@H]2CCOC2)c(C)c1C ZINC000068944213 373094784 /nfs/dbraw/zinc/09/47/84/373094784.db2.gz ZAJWDUKPYJMSGX-SNVBAGLBSA-N 0 0 207.273 2.159 10 0 BEAERN CCc1[nH]c(C=O)nc1-c1ccccc1 ZINC000068945598 373095170 /nfs/dbraw/zinc/09/51/70/373095170.db2.gz UHSRWLWKFGLECH-UHFFFAOYSA-N 0 0 200.241 2.452 10 0 BEAERN O=Cc1cccc(-n2cc(Cl)cn2)c1 ZINC000068983537 373102377 /nfs/dbraw/zinc/10/23/77/373102377.db2.gz AHWXVIMWUWJCDB-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CC(=O)Cn1ccnc1-c1ccccc1 ZINC000040228466 373124838 /nfs/dbraw/zinc/12/48/38/373124838.db2.gz CLXUMXYCSAQDHC-UHFFFAOYSA-N 0 0 200.241 2.139 10 0 BEAERN O=C(NC(F)(F)F)OCc1ccccc1 ZINC000091353427 182088558 /nfs/dbraw/zinc/08/85/58/182088558.db2.gz LCRSUTUCBSMVCO-UHFFFAOYSA-N 0 0 219.162 2.433 10 0 BEAERN O=C(NC1CC1)N1C[C@H]2CCCCC[C@@H]21 ZINC000370253803 182095439 /nfs/dbraw/zinc/09/54/39/182095439.db2.gz ZRNJMVFBTMXFGU-KOLCDFICSA-N 0 0 208.305 2.123 10 0 BEAERN O=C(NC1CC1)N1CCCC12CCCC2 ZINC000308986527 182095991 /nfs/dbraw/zinc/09/59/91/182095991.db2.gz MBNYLDJCQPWUNS-UHFFFAOYSA-N 0 0 208.305 2.267 10 0 BEAERN O=C(NC1CCCC1)[C@@H]1C[C@@H]1c1ccco1 ZINC000049374168 182109452 /nfs/dbraw/zinc/10/94/52/182109452.db2.gz JQEFRXHLVTZONC-WDEREUQCSA-N 0 0 219.284 2.442 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)[C@H]1C[C@@H]1C1CC1 ZINC000176958509 205596468 /nfs/dbraw/zinc/59/64/68/205596468.db2.gz BKMHFWRQOWOUEA-FRRDWIJNSA-N 0 0 243.306 2.282 10 0 BEAERN Cc1cc(-c2n[nH]cc2C=O)ccc1F ZINC000069684240 373594291 /nfs/dbraw/zinc/59/42/91/373594291.db2.gz NYOKJVFMFDAHKH-UHFFFAOYSA-N 0 0 204.204 2.337 10 0 BEAERN O=C(NCC1CCCCC1)c1cscn1 ZINC000062658690 182146419 /nfs/dbraw/zinc/14/64/19/182146419.db2.gz UJGVLHJSZOCXKF-UHFFFAOYSA-N 0 0 224.329 2.453 10 0 BEAERN O=C(NCC1CCCCC1)c1cncc(O)c1 ZINC000111738944 182146490 /nfs/dbraw/zinc/14/64/90/182146490.db2.gz QXNDWNRSZKGWLN-UHFFFAOYSA-N 0 0 234.299 2.097 10 0 BEAERN COC(=O)c1ccc2nc(C)cc(F)c2c1 ZINC000380887341 373596024 /nfs/dbraw/zinc/59/60/24/373596024.db2.gz JNQNHBLSJKIAQL-UHFFFAOYSA-N 0 0 219.215 2.469 10 0 BEAERN Cc1nn(-c2ccc(Cl)nn2)c(C)c1C ZINC000040731221 373659355 /nfs/dbraw/zinc/65/93/55/373659355.db2.gz HCBNIMHZSVRXBO-UHFFFAOYSA-N 0 0 222.679 2.241 10 0 BEAERN N#Cc1cc(N)cc(F)c1Br ZINC000142584659 373654610 /nfs/dbraw/zinc/65/46/10/373654610.db2.gz GXOYVRIPRIHESK-UHFFFAOYSA-N 0 0 215.025 2.042 10 0 BEAERN Nc1nc(SCC2CCCC2)ns1 ZINC000069763925 373729821 /nfs/dbraw/zinc/72/98/21/373729821.db2.gz MBQKXCFCYQYPNX-UHFFFAOYSA-N 0 0 215.347 2.403 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)CCC1CCCC1 ZINC000633868283 373826631 /nfs/dbraw/zinc/82/66/31/373826631.db2.gz YXKCXIGPCZSPDT-DGCLKSJQSA-N 0 0 239.359 2.329 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633871567 373831226 /nfs/dbraw/zinc/83/12/26/373831226.db2.gz NRWXTTZEUBETAD-LPWJVIDDSA-N 0 0 239.359 2.185 10 0 BEAERN CC(C)Oc1ccc(Cl)c(CO)n1 ZINC000040883466 373863982 /nfs/dbraw/zinc/86/39/82/373863982.db2.gz SBRMCDJRKBNCSH-UHFFFAOYSA-N 0 0 201.653 2.015 10 0 BEAERN C[C@H]1C[S@](=O)c2ccc(Cl)cc2C1=O ZINC000040972959 373973361 /nfs/dbraw/zinc/97/33/61/373973361.db2.gz FZVWXHDQIZXVIZ-DXRPGJJCSA-N 0 0 228.700 2.280 10 0 BEAERN Cc1ccc(C)c2c1C(=O)C[C@H](C)[S@@]2=O ZINC000040973024 373973737 /nfs/dbraw/zinc/97/37/37/373973737.db2.gz SQYIVTHAGYDINL-BJOHPYRUSA-N 0 0 222.309 2.386 10 0 BEAERN O=C(NCCc1ccsc1)C1CC=CC1 ZINC000119554276 182210719 /nfs/dbraw/zinc/21/07/19/182210719.db2.gz NUTCKGLMXMHQHG-UHFFFAOYSA-N 0 0 221.325 2.373 10 0 BEAERN CSCc1nnc(Br)s1 ZINC000070006030 374109406 /nfs/dbraw/zinc/10/94/06/374109406.db2.gz PWZITONRKJBIHH-UHFFFAOYSA-N 0 0 225.136 2.164 10 0 BEAERN O[C@]1(c2ccc(Cl)cc2)CCCOC1 ZINC000070017528 374111944 /nfs/dbraw/zinc/11/19/44/374111944.db2.gz FIWGBJPUAQXFQB-LLVKDONJSA-N 0 0 212.676 2.338 10 0 BEAERN O=C([C@H]1CCCS1)[C@@H]1CCCCO1 ZINC000069984832 374102362 /nfs/dbraw/zinc/10/23/62/374102362.db2.gz FACAMOBWBCHNIX-DTWKUNHWSA-N 0 0 200.303 2.020 10 0 BEAERN O=C([C@@H]1CCCS1)[C@@H]1CCCCO1 ZINC000069984829 374102502 /nfs/dbraw/zinc/10/25/02/374102502.db2.gz FACAMOBWBCHNIX-IUCAKERBSA-N 0 0 200.303 2.020 10 0 BEAERN CSCCc1nc2cc(N)ccc2o1 ZINC000069983377 374104337 /nfs/dbraw/zinc/10/43/37/374104337.db2.gz UIOKNWYDFHRFMS-UHFFFAOYSA-N 0 0 208.286 2.316 10 0 BEAERN C[C@@H](c1nccs1)n1cccc1C=O ZINC000070734527 374183325 /nfs/dbraw/zinc/18/33/25/374183325.db2.gz MYZOTKZKCBYLAP-QMMMGPOBSA-N 0 0 206.270 2.366 10 0 BEAERN C[C@H](c1nccs1)n1cccc1C=O ZINC000070734528 374183586 /nfs/dbraw/zinc/18/35/86/374183586.db2.gz MYZOTKZKCBYLAP-MRVPVSSYSA-N 0 0 206.270 2.366 10 0 BEAERN Cc1cc(N)ccc1C(=O)c1cc[nH]c1 ZINC000070671585 374171688 /nfs/dbraw/zinc/17/16/88/374171688.db2.gz ZQOJPIAAOUOSDZ-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN Cc1cc(N)ccc1C(=O)c1ccc[nH]1 ZINC000070671539 374172713 /nfs/dbraw/zinc/17/27/13/374172713.db2.gz LGAUZPSTYAGJCF-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN C[C@@H]1CN(c2nsnc2Cl)CC(C)(C)O1 ZINC000041684193 374175334 /nfs/dbraw/zinc/17/53/34/374175334.db2.gz AYFFILIVLNFNSS-ZCFIWIBFSA-N 0 0 247.751 2.195 10 0 BEAERN Cc1ccnn1CCc1scnc1C ZINC000070688231 374176716 /nfs/dbraw/zinc/17/67/16/374176716.db2.gz OWPQHVPHPHAKJX-UHFFFAOYSA-N 0 0 207.302 2.199 10 0 BEAERN CC[C@@H](C(N)=S)n1cc(Cl)c(C)n1 ZINC000070689375 374176759 /nfs/dbraw/zinc/17/67/59/374176759.db2.gz PDJGWQVTMPJTDA-ZETCQYMHSA-N 0 0 217.725 2.082 10 0 BEAERN Nc1nsc(-c2ccc(Br)o2)n1 ZINC000070839172 374198472 /nfs/dbraw/zinc/19/84/72/374198472.db2.gz CTNQMHWWQSGDJV-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN O=c1[nH]ccnc1-c1ccccc1Cl ZINC000143575891 374224487 /nfs/dbraw/zinc/22/44/87/374224487.db2.gz FPKWYKJFDTYRFK-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN CC[C@@](C)(CO)Nc1cccc(Cl)n1 ZINC000070898235 374226403 /nfs/dbraw/zinc/22/64/03/374226403.db2.gz YRNHHMNLNNKNBN-JTQLQIEISA-N 0 0 214.696 2.308 10 0 BEAERN CCCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000041782215 374185184 /nfs/dbraw/zinc/18/51/84/374185184.db2.gz NWSSTJLKEJLNNP-SSDOTTSWSA-N 0 0 210.104 2.097 10 0 BEAERN Nc1ccc([S@](=O)C2CCCC2)cc1 ZINC000042197100 374254369 /nfs/dbraw/zinc/25/43/69/374254369.db2.gz FEUOUIOXWFAKTI-AWEZNQCLSA-N 0 0 209.314 2.319 10 0 BEAERN C=Cc1ccc(C(=O)CCC(=O)OC)cc1 ZINC000382698200 374256084 /nfs/dbraw/zinc/25/60/84/374256084.db2.gz MHVIYEJAYUVOBF-UHFFFAOYSA-N 0 0 218.252 2.466 10 0 BEAERN O[C@H]1CCc2c1cccc2OC(F)F ZINC000042405519 374268041 /nfs/dbraw/zinc/26/80/41/374268041.db2.gz WEEDYGRCSMXCDO-QMMMGPOBSA-N 0 0 200.184 2.268 10 0 BEAERN CCc1noc([C@H]2CCCCCC2=O)n1 ZINC000070996906 374238806 /nfs/dbraw/zinc/23/88/06/374238806.db2.gz ZIQKLILXUYJCNS-QMMMGPOBSA-N 0 0 208.261 2.249 10 0 BEAERN O[C@@H](Cc1ccc(Br)cn1)C1CC1 ZINC000071004939 374240106 /nfs/dbraw/zinc/24/01/06/374240106.db2.gz IMLADJRFNWBGNM-JTQLQIEISA-N 0 0 242.116 2.158 10 0 BEAERN O=C(NCc1cccnc1)[C@H]1C[C@H]1c1ccco1 ZINC000049397996 182261050 /nfs/dbraw/zinc/26/10/50/182261050.db2.gz KDEQMDHCDVDCAB-NEPJUHHUSA-N 0 0 242.278 2.095 10 0 BEAERN CCCN1c2cc(Cl)ccc2C(=O)C1=O ZINC000042077476 374246826 /nfs/dbraw/zinc/24/68/26/374246826.db2.gz BCIWGMJSKCGJHD-UHFFFAOYSA-N 0 0 223.659 2.279 10 0 BEAERN O=C(NCc1ccco1)c1ccc2c(c1)CCN2 ZINC000019722402 182262719 /nfs/dbraw/zinc/26/27/19/182262719.db2.gz OSMKPBKBDHJDLL-UHFFFAOYSA-N 0 0 242.278 2.178 10 0 BEAERN O=C(NCc1cscn1)c1ccc(Cl)o1 ZINC000123065776 182272351 /nfs/dbraw/zinc/27/23/51/182272351.db2.gz XAKXFURFRLCJSR-UHFFFAOYSA-N 0 0 242.687 2.320 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccs1 ZINC000225643852 182292424 /nfs/dbraw/zinc/29/24/24/182292424.db2.gz TWDNYEWQKJELGD-NXEZZACHSA-N 0 0 239.340 2.029 10 0 BEAERN O=C(N[C@H]1CCC12CCCC2)N1CC(F)C1 ZINC000336274665 182326900 /nfs/dbraw/zinc/32/69/00/182326900.db2.gz HGPZQQKYSNSCJU-JTQLQIEISA-N 0 0 226.295 2.073 10 0 BEAERN O=C(N[C@H]1CCC12CCCC2)[C@H]1CCCCO1 ZINC000336515948 182327276 /nfs/dbraw/zinc/32/72/76/182327276.db2.gz MPWDONAVLYGTBM-NEPJUHHUSA-N 0 0 237.343 2.395 10 0 BEAERN CCCCC[S@@](=O)Cc1nnc(C)n1CC ZINC000194625274 206100990 /nfs/dbraw/zinc/10/09/90/206100990.db2.gz JVEBDCWBVQULCB-MRXNPFEDSA-N 0 0 243.376 2.045 10 0 BEAERN O=C(N[C@H]1CCCc2ccccc21)c1cn[nH]c1 ZINC000040437038 182334090 /nfs/dbraw/zinc/33/40/90/182334090.db2.gz FLNAQPOBUZKGTE-ZDUSSCGKSA-N 0 0 241.294 2.217 10 0 BEAERN O=C(Nc1c(O)nc[nH]c1=S)c1ccccc1 ZINC000039073043 182346975 /nfs/dbraw/zinc/34/69/75/182346975.db2.gz CVCQPTRHOKVVHF-UHFFFAOYSA-N 0 0 247.279 2.097 10 0 BEAERN O=C(Nc1ccccc1)[C@@H]1CCCc2n[nH]cc21 ZINC000131624051 182376934 /nfs/dbraw/zinc/37/69/34/182376934.db2.gz CYGAQSHUSQWSLX-LLVKDONJSA-N 0 0 241.294 2.468 10 0 BEAERN O=C(Nc1ccccc1CO)c1ccccc1O ZINC000049361569 182378474 /nfs/dbraw/zinc/37/84/74/182378474.db2.gz UVGASBWTRPMAKU-UHFFFAOYSA-N 0 0 243.262 2.137 10 0 BEAERN O=C(Nc1cn[nH]c1)c1cccc2c1CCCN2 ZINC000123766151 182392126 /nfs/dbraw/zinc/39/21/26/182392126.db2.gz MBUVOZHDYCQGKU-UHFFFAOYSA-N 0 0 242.282 2.020 10 0 BEAERN O=C(Nc1cn[nH]c1)c1c[nH]c2ccccc12 ZINC000035764502 182392209 /nfs/dbraw/zinc/39/22/09/182392209.db2.gz SATBGGSBZZKVNC-UHFFFAOYSA-N 0 0 226.239 2.143 10 0 BEAERN O=C(Nc1ccnc2n[nH]cc21)c1ccccc1 ZINC000089224800 182385412 /nfs/dbraw/zinc/38/54/12/182385412.db2.gz MTNUILYWBFDWQS-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C([O-])C1(C[NH+]2CCCC2)CCCCC1 ZINC000049815022 182422814 /nfs/dbraw/zinc/42/28/14/182422814.db2.gz UDCAOXZDVPETLL-UHFFFAOYSA-N 0 0 211.305 2.117 10 0 BEAERN O=C([O-])CC[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000035085925 182447170 /nfs/dbraw/zinc/44/71/70/182447170.db2.gz ADQMJMPGLGCYEC-UHFFFAOYSA-N 0 0 237.343 2.267 10 0 BEAERN O=C([O-])CC[C@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC000083308556 182453003 /nfs/dbraw/zinc/45/30/03/182453003.db2.gz MFHVFBOZOHBQLO-HNNXBMFYSA-N 0 0 247.338 2.464 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CC1)c1c(F)cccc1Cl ZINC000037183696 182502845 /nfs/dbraw/zinc/50/28/45/182502845.db2.gz RSFWRSQYKGZDKX-JTQLQIEISA-N 0 0 243.665 2.357 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1cccc2ccccc21 ZINC000069271990 182517847 /nfs/dbraw/zinc/51/78/47/182517847.db2.gz NLVXTQPLGJBYLL-ZIAGYGMSSA-N 0 0 241.290 2.227 10 0 BEAERN O=C(OCc1cncc(Cl)c1)c1cccnc1 ZINC000003615313 182606716 /nfs/dbraw/zinc/60/67/16/182606716.db2.gz VMCZLYZERNEZNY-UHFFFAOYSA-N 0 0 248.669 2.487 10 0 BEAERN O=C(Oc1ccccn1)c1cccnc1Cl ZINC000090624469 182610034 /nfs/dbraw/zinc/61/00/34/182610034.db2.gz VQGBIYNVYLHRTC-UHFFFAOYSA-N 0 0 234.642 2.349 10 0 BEAERN O=C(c1cc[nH]c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888593 182653602 /nfs/dbraw/zinc/65/36/02/182653602.db2.gz FXLWKTNOKAYWSV-LBPRGKRZSA-N 0 0 244.298 2.105 10 0 BEAERN O=C(c1ccc2[nH]c(=O)oc2c1)C1CC1 ZINC000036945751 182667892 /nfs/dbraw/zinc/66/78/92/182667892.db2.gz VYYMBWYDOFMNBL-UHFFFAOYSA-N 0 0 203.197 2.126 10 0 BEAERN O=C(c1cc[nH]c(=O)c1)N1CCC12CCCCC2 ZINC000373010238 182688748 /nfs/dbraw/zinc/68/87/48/182688748.db2.gz RUEZXUPHRZIHEB-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN O=C(c1cccnc1)N1N=CC[C@H]1c1ccco1 ZINC000000025098 182683055 /nfs/dbraw/zinc/68/30/55/182683055.db2.gz LLVYEYIQEXJSCQ-NSHDSACASA-N 0 0 241.250 2.248 10 0 BEAERN O=C(c1ccoc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127600919 182692982 /nfs/dbraw/zinc/69/29/82/182692982.db2.gz JLVMWVTYYZORRM-JSGCOSHPSA-N 0 0 249.310 2.047 10 0 BEAERN CCCCOCCOc1ccc(OC)cc1N ZINC000049261304 168904842 /nfs/dbraw/zinc/90/48/42/168904842.db2.gz TZLTUUNUVHRHGP-UHFFFAOYSA-N 0 0 239.315 2.473 10 0 BEAERN O=C1C[C@H](Oc2ccc3ccccc3c2)N1 ZINC000006118795 182784533 /nfs/dbraw/zinc/78/45/33/182784533.db2.gz OITUXXIQMPGXIP-ZDUSSCGKSA-N 0 0 213.236 2.065 10 0 BEAERN O=C1OC[C@H]2C=CCC[C@@]12C(F)(F)F ZINC000104844392 182834119 /nfs/dbraw/zinc/83/41/19/182834119.db2.gz UBQSUESXWNPMJZ-SVRRBLITSA-N 0 0 206.163 2.058 10 0 BEAERN O=Cc1c(OC2CC2)ccnc1C(F)(F)F ZINC000095725239 182859374 /nfs/dbraw/zinc/85/93/74/182859374.db2.gz UWJHJUVLLXPDMJ-UHFFFAOYSA-N 0 0 231.173 2.454 10 0 BEAERN O=Cc1cnc2c(Br)c[nH]c2c1 ZINC000082361020 182874723 /nfs/dbraw/zinc/87/47/23/182874723.db2.gz QESRMPMUAQTCNO-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN CCCCOc1cc(N)nc(C2CC2)n1 ZINC000082491628 168915376 /nfs/dbraw/zinc/91/53/76/168915376.db2.gz XYBXTVFYQWFMHJ-UHFFFAOYSA-N 0 0 207.277 2.115 10 0 BEAERN O=c1[nH]c2ccc([C@@H](O)C3CCCCC3)cc2[nH]1 ZINC000040247742 182974594 /nfs/dbraw/zinc/97/45/94/182974594.db2.gz QMZLXMNATNPUSS-ZDUSSCGKSA-N 0 0 246.310 2.470 10 0 BEAERN O=c1[nH]ccc2c(F)ccc(Br)c12 ZINC000082767355 182977779 /nfs/dbraw/zinc/97/77/79/182977779.db2.gz RDAFUFJXABBHFJ-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN O=c1ccncn1CCNc1cccc(Cl)c1 ZINC000104273044 183005035 /nfs/dbraw/zinc/00/50/35/183005035.db2.gz JUORRINZTCVPNR-UHFFFAOYSA-N 0 0 249.701 2.009 10 0 BEAERN O=c1nc2n(c3c1CCCC3)CCCCCC2 ZINC000029335543 183010260 /nfs/dbraw/zinc/01/02/60/183010260.db2.gz YLJNVBVMQYEQKP-UHFFFAOYSA-N 0 0 232.327 2.239 10 0 BEAERN O=c1ncccn1CCNc1ccccc1Cl ZINC000053500140 183011307 /nfs/dbraw/zinc/01/13/07/183011307.db2.gz KYIRFUXARRCLCM-UHFFFAOYSA-N 0 0 249.701 2.009 10 0 BEAERN OC1CCC(Nc2ncnc3sccc32)CC1 ZINC000003363491 183028738 /nfs/dbraw/zinc/02/87/38/183028738.db2.gz GLWLSFWSHITGRU-UHFFFAOYSA-N 0 0 249.339 2.407 10 0 BEAERN OC1CN(Cc2csc(Cl)c2Cl)C1 ZINC000306404483 183031433 /nfs/dbraw/zinc/03/14/33/183031433.db2.gz UKXROXBZRNAZEE-UHFFFAOYSA-N 0 0 238.139 2.231 10 0 BEAERN OC1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000021984632 183022705 /nfs/dbraw/zinc/02/27/05/183022705.db2.gz JUTTXLGMDSGZCE-UHFFFAOYSA-N 0 0 234.295 2.191 10 0 BEAERN O=C1CCC[C@@H](c2nc(CC(F)(F)F)no2)N1 ZINC000329766677 183026216 /nfs/dbraw/zinc/02/62/16/183026216.db2.gz YLZKDONQJFFNQZ-YFKPBYRVSA-N 0 0 249.192 2.356 10 0 BEAERN OCCCCCc1ccc2c(c1)OCO2 ZINC000036158437 183049273 /nfs/dbraw/zinc/04/92/73/183049273.db2.gz QMOSHVCKILKDCK-UHFFFAOYSA-N 0 0 208.257 2.120 10 0 BEAERN OCCCCCOc1ccc(Cl)nc1 ZINC000087543052 183049074 /nfs/dbraw/zinc/04/90/74/183049074.db2.gz PRZHQTYDWBIDSS-UHFFFAOYSA-N 0 0 215.680 2.276 10 0 BEAERN OCC1(CNc2ccc3ccccc3n2)CC1 ZINC000118907593 183036209 /nfs/dbraw/zinc/03/62/09/183036209.db2.gz RUBQLEZCIMYTJY-UHFFFAOYSA-N 0 0 228.295 2.419 10 0 BEAERN OCCCNc1ccc(F)cc1Cl ZINC000048694192 183060055 /nfs/dbraw/zinc/06/00/55/183060055.db2.gz MKRZBUMVSJYMCQ-UHFFFAOYSA-N 0 0 203.644 2.273 10 0 BEAERN OCCCNc1ccc(F)c(Cl)c1 ZINC000041570676 183060582 /nfs/dbraw/zinc/06/05/82/183060582.db2.gz CXQGKIGUVFAVFL-UHFFFAOYSA-N 0 0 203.644 2.273 10 0 BEAERN OCCC[C@@H](O)c1ccc(Cl)cc1 ZINC000049812207 183063103 /nfs/dbraw/zinc/06/31/03/183063103.db2.gz KZOPJGMADVWMKC-SNVBAGLBSA-N 0 0 200.665 2.146 10 0 BEAERN OCCCn1cnc2cc(Cl)ccc21 ZINC000040402284 183064652 /nfs/dbraw/zinc/06/46/52/183064652.db2.gz NCPWZLISSSZKCH-UHFFFAOYSA-N 0 0 210.664 2.072 10 0 BEAERN OCCN(Cc1ccsc1)c1ccccn1 ZINC000301829240 183071026 /nfs/dbraw/zinc/07/10/26/183071026.db2.gz GSDALHPAIURFBS-UHFFFAOYSA-N 0 0 234.324 2.142 10 0 BEAERN OCCNc1cc(F)cc2c(Cl)ccnc12 ZINC000096034501 183080322 /nfs/dbraw/zinc/08/03/22/183080322.db2.gz CFGGCSDGJROZEX-UHFFFAOYSA-N 0 0 240.665 2.432 10 0 BEAERN OCCNc1nccc(Sc2ccccc2)n1 ZINC000058825574 183080326 /nfs/dbraw/zinc/08/03/26/183080326.db2.gz IMDAELRSRMRNIL-UHFFFAOYSA-N 0 0 247.323 2.032 10 0 BEAERN OCCNc1ccc2c(c1)CCCS2 ZINC000077303668 183080405 /nfs/dbraw/zinc/08/04/05/183080405.db2.gz VEWGAGZZZMQFBX-UHFFFAOYSA-N 0 0 209.314 2.129 10 0 BEAERN OCCOCCNc1cccc2ccccc21 ZINC000005162908 183085852 /nfs/dbraw/zinc/08/58/52/183085852.db2.gz LKDJOSCYSCYSJE-UHFFFAOYSA-N 0 0 231.295 2.261 10 0 BEAERN OCCOc1ccnc2ccc(Cl)cc21 ZINC000053994794 183088400 /nfs/dbraw/zinc/08/84/00/183088400.db2.gz MNOLTGKMMBFZIX-UHFFFAOYSA-N 0 0 223.659 2.259 10 0 BEAERN OC[C@@H]1CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000227983447 183117739 /nfs/dbraw/zinc/11/77/39/183117739.db2.gz XKHLKBUIVVQSQS-DTWKUNHWSA-N 0 0 241.722 2.093 10 0 BEAERN OC[C@@H]1CCCN1c1nsc2ccccc21 ZINC000095078616 183121351 /nfs/dbraw/zinc/12/13/51/183121351.db2.gz CJNCYBIVZKFMPN-VIFPVBQESA-N 0 0 234.324 2.257 10 0 BEAERN OCCc1csc(Cc2ccccc2F)n1 ZINC000049828604 183102228 /nfs/dbraw/zinc/10/22/28/183102228.db2.gz HCGXOBMDPDNQBZ-UHFFFAOYSA-N 0 0 237.299 2.408 10 0 BEAERN OCCn1c2ccccc2nc1-c1ccco1 ZINC000040389168 183102282 /nfs/dbraw/zinc/10/22/82/183102282.db2.gz BGGSWFBVTYBDFQ-UHFFFAOYSA-N 0 0 228.251 2.289 10 0 BEAERN CCCC[C@H](O)c1ccc2c(c1)CC(=O)N2 ZINC000040255309 169013300 /nfs/dbraw/zinc/01/33/00/169013300.db2.gz UDGPZHXUWRZTDQ-LBPRGKRZSA-N 0 0 219.284 2.405 10 0 BEAERN CCCC[C@H]1CC[C@@](C[NH3+])(CC(=O)[O-])C1 ZINC000045372330 169014029 /nfs/dbraw/zinc/01/40/29/169014029.db2.gz USZXKKPNEFLRDV-JQWIXIFHSA-N 0 0 213.321 2.397 10 0 in-vivo BEAERN OC[C@@H](Nc1cccc(F)c1)C1CCOCC1 ZINC000052179737 183109240 /nfs/dbraw/zinc/10/92/40/183109240.db2.gz ODUUPPHQKRCMCY-CYBMUJFWSA-N 0 0 239.290 2.025 10 0 BEAERN OC[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000038119566 183109623 /nfs/dbraw/zinc/10/96/23/183109623.db2.gz GDPPRNNTARTDHK-JOYOIKCWSA-N 0 0 241.718 2.149 10 0 BEAERN CCCC[S@](=O)c1nc2ccc(N)cc2o1 ZINC000042195517 169016997 /nfs/dbraw/zinc/01/69/97/169016997.db2.gz KKXXWWUXHKLVBN-MRXNPFEDSA-N 0 0 238.312 2.318 10 0 BEAERN OC[C@H](Nc1ccccc1Cl)[C@@H]1CCOC1 ZINC000038113498 183142678 /nfs/dbraw/zinc/14/26/78/183142678.db2.gz VUAIFYBMOOVCKD-SKDRFNHKSA-N 0 0 241.718 2.149 10 0 BEAERN OC[C@@H]1C[C@H]1Nc1ccnc2ccsc21 ZINC000308921429 183130976 /nfs/dbraw/zinc/13/09/76/183130976.db2.gz IYHSBQMOADEWCU-OIBJUYFYSA-N 0 0 220.297 2.089 10 0 BEAERN OC[C@@H]1Cc2ccc(Cl)c(Cl)c2O1 ZINC000039278453 183131135 /nfs/dbraw/zinc/13/11/35/183131135.db2.gz HGKIWERWQCUCQE-LURJTMIESA-N 0 0 219.067 2.289 10 0 BEAERN CCCCn1c(C)c(C)c2c1ncnc2N ZINC000036939034 169034205 /nfs/dbraw/zinc/03/42/05/169034205.db2.gz PAVQKNVDKCMVOY-UHFFFAOYSA-N 0 0 218.304 2.430 10 0 BEAERN CCCCn1cc(C(=O)N[C@H]2C[C@@H]2C)c(C)n1 ZINC000184848492 169034784 /nfs/dbraw/zinc/03/47/84/169034784.db2.gz PJUVSIUVKIEEMG-CABZTGNLSA-N 0 0 235.331 2.130 10 0 BEAERN CCCCn1cnc2c1ncnc2Cl ZINC000001566840 169036615 /nfs/dbraw/zinc/03/66/15/169036615.db2.gz FDRPGDDGRMEJSU-UHFFFAOYSA-N 0 0 210.668 2.280 10 0 BEAERN OC[C@H]1CCCN1c1ccc2ccccc2n1 ZINC000042434682 183152582 /nfs/dbraw/zinc/15/25/82/183152582.db2.gz FIBOCZLMWZQYBO-GFCCVEGCSA-N 0 0 228.295 2.196 10 0 BEAERN OC[C@H]1CCN(c2nsc3ccccc32)C1 ZINC000095078659 183154104 /nfs/dbraw/zinc/15/41/04/183154104.db2.gz MRJCGJRAHJBRRY-VIFPVBQESA-N 0 0 234.324 2.115 10 0 BEAERN OCc1c(F)c(F)c(F)c(Cl)c1F ZINC000086862925 183160344 /nfs/dbraw/zinc/16/03/44/183160344.db2.gz NVCPZBVRLBQWDL-UHFFFAOYSA-N 0 0 214.545 2.389 10 0 BEAERN OCc1c[nH]c(C2(c3ccccc3)CCC2)n1 ZINC000062820515 183160569 /nfs/dbraw/zinc/16/05/69/183160569.db2.gz ZPOPAWBQSQHMNU-UHFFFAOYSA-N 0 0 228.295 2.372 10 0 BEAERN OCc1c[nH]c(=S)n1CCc1cccs1 ZINC000019724516 183160729 /nfs/dbraw/zinc/16/07/29/183160729.db2.gz HIPBWFJPZSCAOJ-UHFFFAOYSA-N 0 0 240.353 2.342 10 0 BEAERN OCc1cc(OCc2ccccc2)ccc1O ZINC000090727697 183161938 /nfs/dbraw/zinc/16/19/38/183161938.db2.gz SGFYCHNHQTZYSQ-UHFFFAOYSA-N 0 0 230.263 2.464 10 0 BEAERN OCc1ccc(-n2cccn2)c(Cl)c1 ZINC000088041860 183163411 /nfs/dbraw/zinc/16/34/11/183163411.db2.gz SPYDMFNXYCPXPW-UHFFFAOYSA-N 0 0 208.648 2.018 10 0 BEAERN OCc1ccc(NCc2cccnc2)cc1 ZINC000083347825 183166239 /nfs/dbraw/zinc/16/62/39/183166239.db2.gz ZNGCCIZABOSTRD-UHFFFAOYSA-N 0 0 214.268 2.186 10 0 BEAERN O[C@@H](Cc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000104060156 183184651 /nfs/dbraw/zinc/18/46/51/183184651.db2.gz FAHXSKDQPHRHGB-NSHDSACASA-N 0 0 248.257 2.189 10 0 BEAERN OCc1cccc(OCCc2cccnc2)c1 ZINC000041251149 183168167 /nfs/dbraw/zinc/16/81/67/183168167.db2.gz BPVOPRBNMVSMPY-UHFFFAOYSA-N 0 0 229.279 2.195 10 0 BEAERN OCc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000052220967 183169511 /nfs/dbraw/zinc/16/95/11/183169511.db2.gz UWRAYFYLCHSFAA-UHFFFAOYSA-N 0 0 244.081 2.066 10 0 BEAERN OCc1coc(/C=C/c2ccc(F)cc2)n1 ZINC000090728339 183170067 /nfs/dbraw/zinc/17/00/67/183170067.db2.gz GWNLFMQOXBPEEZ-ZZXKWVIFSA-N 0 0 219.215 2.476 10 0 BEAERN O[C@@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl ZINC000095078308 183202040 /nfs/dbraw/zinc/20/20/40/183202040.db2.gz RIUGFBWYCLNRBF-QPUJVOFHSA-N 0 0 244.693 2.419 10 0 BEAERN O[C@@H]1CC[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000070771840 183203357 /nfs/dbraw/zinc/20/33/57/183203357.db2.gz VYIVVAWETQPIRG-MWLCHTKSSA-N 0 0 220.268 2.086 10 0 BEAERN O[C@@H]1CC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000307287933 183204951 /nfs/dbraw/zinc/20/49/51/183204951.db2.gz WHCXFVXJSHJYHQ-DTWKUNHWSA-N 0 0 212.680 2.060 10 0 BEAERN CCCN(C)C(=O)c1c(C)[nH]nc1C(C)C ZINC000125660140 169059802 /nfs/dbraw/zinc/05/98/02/169059802.db2.gz BRRMTNILLYOAQA-UHFFFAOYSA-N 0 0 223.320 2.324 10 0 BEAERN O[C@@H](c1ccc2c(c1)OCCCO2)C1CC1 ZINC000036160172 183186207 /nfs/dbraw/zinc/18/62/07/183186207.db2.gz ITYFRWRLJZUYPJ-CYBMUJFWSA-N 0 0 220.268 2.291 10 0 BEAERN O[C@@H]1CCC=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000021995586 183186426 /nfs/dbraw/zinc/18/64/26/183186426.db2.gz ZIKGSULOMNYSGC-VXGBXAGGSA-N 0 0 224.687 2.239 10 0 BEAERN CCCN(C)C(=O)c1cc(N)c(C)s1 ZINC000040302763 169060526 /nfs/dbraw/zinc/06/05/26/169060526.db2.gz YOUKOKUEHQCMRJ-UHFFFAOYSA-N 0 0 212.318 2.121 10 0 BEAERN CCCN(C)C(=O)c1cc(N)c(F)cc1F ZINC000040302762 169060964 /nfs/dbraw/zinc/06/09/64/169060964.db2.gz IOPRGCIILQVEFD-UHFFFAOYSA-N 0 0 228.242 2.029 10 0 BEAERN CCCN(C)C(=O)c1cnc(NC)c(Cl)c1 ZINC000050748528 169062480 /nfs/dbraw/zinc/06/24/80/169062480.db2.gz GYZCWOUKCQEIQY-UHFFFAOYSA-N 0 0 241.722 2.259 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cccc(Cl)n1 ZINC000193451683 183195091 /nfs/dbraw/zinc/19/50/91/183195091.db2.gz TVUZNNRGRGNXAF-JGVFFNPUSA-N 0 0 212.680 2.060 10 0 BEAERN CCCN(CC(=O)c1ccc[nH]1)CC(F)(F)F ZINC000042776417 169101400 /nfs/dbraw/zinc/10/14/00/169101400.db2.gz YXWPJVLZNBXUHS-UHFFFAOYSA-N 0 0 248.248 2.472 10 0 BEAERN CCCN(C)Cc1ccsc1C(=O)OC ZINC000119375917 169080669 /nfs/dbraw/zinc/08/06/69/169080669.db2.gz PQUDYVZRCQYGHF-UHFFFAOYSA-N 0 0 227.329 2.377 10 0 BEAERN O[C@H](COC(F)(F)F)c1ccccc1 ZINC000068576525 183226149 /nfs/dbraw/zinc/22/61/49/183226149.db2.gz KBEAWYBOFPLQSZ-MRVPVSSYSA-N 0 0 206.163 2.256 10 0 BEAERN O[C@H](COC(F)(F)F)c1ccccc1F ZINC000068576517 183226367 /nfs/dbraw/zinc/22/63/67/183226367.db2.gz IGLNTQCRASXSIJ-MRVPVSSYSA-N 0 0 224.153 2.396 10 0 BEAERN O[C@H](Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000109484487 183228160 /nfs/dbraw/zinc/22/81/60/183228160.db2.gz HHIHZMNRBAYCMO-LLVKDONJSA-N 0 0 230.267 2.050 10 0 BEAERN O[C@@H](c1nccs1)c1ccc(F)cc1 ZINC000075871951 183228877 /nfs/dbraw/zinc/22/88/77/183228877.db2.gz NZGNNHSXKISHCT-SECBINFHSA-N 0 0 209.245 2.364 10 0 BEAERN O[C@H](Cc1ncc[nH]1)[C@@H]1CCCc2ccccc21 ZINC000054669491 183228986 /nfs/dbraw/zinc/22/89/86/183228986.db2.gz SURRWMAEBICFRD-ZIAGYGMSSA-N 0 0 242.322 2.433 10 0 BEAERN O[C@H](c1ccc2c(c1)OCO2)C1CCC1 ZINC000036157879 183229465 /nfs/dbraw/zinc/22/94/65/183229465.db2.gz VURULXZCDFSPSB-LBPRGKRZSA-N 0 0 206.241 2.249 10 0 BEAERN O[C@@H](c1nc2cc[nH]cc-2n1)c1ccccc1 ZINC000005117398 183229690 /nfs/dbraw/zinc/22/96/90/183229690.db2.gz LIHMOKKEBXTQPH-GFCCVEGCSA-N 0 0 225.251 2.040 10 0 BEAERN O[C@H](c1ccccn1)C(Cl)(Cl)Cl ZINC000033884258 183230082 /nfs/dbraw/zinc/23/00/82/183230082.db2.gz VQQUQMTWROHDAY-ZCFIWIBFSA-N 0 0 226.490 2.485 10 0 BEAERN O[C@@H]1C[C@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415206 183211853 /nfs/dbraw/zinc/21/18/53/183211853.db2.gz PSFGHRIZPRPWSD-GMSGAONNSA-N 0 0 220.297 2.235 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ncccc1Cl ZINC000084233882 183237937 /nfs/dbraw/zinc/23/79/37/183237937.db2.gz QQNKGHAEHDWEGI-WPRPVWTQSA-N 0 0 226.707 2.308 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ncc(Cl)cc1F ZINC000267529989 183237966 /nfs/dbraw/zinc/23/79/66/183237966.db2.gz ZCMMWENNMOVEFI-BDAKNGLRSA-N 0 0 230.670 2.199 10 0 BEAERN CCCN(CC)C(=O)c1cnc(N)c(Cl)c1 ZINC000050701101 169119683 /nfs/dbraw/zinc/11/96/83/169119683.db2.gz QZVYSUQFVSNESG-UHFFFAOYSA-N 0 0 241.722 2.189 10 0 BEAERN O[C@]1(c2nc3ccccc3[nH]2)C=CCCC1 ZINC000005286511 183253310 /nfs/dbraw/zinc/25/33/10/183253310.db2.gz GLGQTAOJVXMSEL-CYBMUJFWSA-N 0 0 214.268 2.491 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1cncc(Cl)n1 ZINC000077208476 183233092 /nfs/dbraw/zinc/23/30/92/183233092.db2.gz XKDSRBCVHYOVKW-IUCAKERBSA-N 0 0 241.722 2.093 10 0 BEAERN Oc1ccc(-c2cc(F)ccc2O)nc1 ZINC000065355715 183264851 /nfs/dbraw/zinc/26/48/51/183264851.db2.gz VNFPSAKRHXIPIU-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN CCCN(CCC)c1ccc(N)c2nonc21 ZINC000035675227 169152291 /nfs/dbraw/zinc/15/22/91/169152291.db2.gz ZEWNJSLQEAZKQV-UHFFFAOYSA-N 0 0 234.303 2.431 10 0 BEAERN Oc1ccc(-c2ncccc2O)cc1F ZINC000065337821 183266440 /nfs/dbraw/zinc/26/64/40/183266440.db2.gz PUIWQZDDIAHYGL-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN Oc1ccc(Br)c2c1C=NCC2 ZINC000064403850 183267412 /nfs/dbraw/zinc/26/74/12/183267412.db2.gz IQMSYUFDORXMOB-UHFFFAOYSA-N 0 0 226.073 2.130 10 0 BEAERN CCCN(CCC(=O)NCC)c1cccc(N)c1 ZINC000063112808 169138641 /nfs/dbraw/zinc/13/86/41/169138641.db2.gz YKXSPXOACIVBHE-UHFFFAOYSA-N 0 0 249.358 2.011 10 0 BEAERN Oc1ccc(-c2ccc(O)c(F)c2)nc1 ZINC000065355703 183263904 /nfs/dbraw/zinc/26/39/04/183263904.db2.gz AMIZKQTZSCZODG-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN Oc1cn2ccnc2c(-c2ccccc2)n1 ZINC000044120710 183305828 /nfs/dbraw/zinc/30/58/28/183305828.db2.gz XKGWLZSKASTPPC-UHFFFAOYSA-N 0 0 211.224 2.102 10 0 BEAERN Oc1cccc(-c2nc(C[C@@H]3CCCO3)no2)c1 ZINC000111686907 183287425 /nfs/dbraw/zinc/28/74/25/183287425.db2.gz GIFPKSFEURIVJW-NSHDSACASA-N 0 0 246.266 2.164 10 0 BEAERN Oc1cccc(OCc2nc(C3CC3)no2)c1 ZINC000049344743 183292648 /nfs/dbraw/zinc/29/26/48/183292648.db2.gz CCSZLVDCVOXTIF-UHFFFAOYSA-N 0 0 232.239 2.232 10 0 BEAERN Oc1cccc([C@H]2CN(CC3CC3)CCO2)c1 ZINC000126875912 183293702 /nfs/dbraw/zinc/29/37/02/183293702.db2.gz GBISKGHYNYULSJ-CQSZACIVSA-N 0 0 233.311 2.176 10 0 BEAERN Oc1cccc2[nH]c(C(F)(F)F)nc21 ZINC000076214064 183297941 /nfs/dbraw/zinc/29/79/41/183297941.db2.gz LHFTYTVRWFFRAR-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN Oc1ccccc1CC[C@@H](O)c1ccccn1 ZINC000062166370 183301480 /nfs/dbraw/zinc/30/14/80/183301480.db2.gz DPRHDOXIYLTEQG-CQSZACIVSA-N 0 0 229.279 2.453 10 0 BEAERN [O-][n+]1ccc2cc(F)c(Br)cc2c1 ZINC000090469534 183319192 /nfs/dbraw/zinc/31/91/92/183319192.db2.gz KNBITWKHOQIYDQ-UHFFFAOYSA-N 0 0 242.047 2.375 10 0 BEAERN S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1CCCC1 ZINC000035082073 183311189 /nfs/dbraw/zinc/31/11/89/183311189.db2.gz KJCKOYKEGMDMIA-AXFHLTTASA-N 0 0 224.373 2.145 10 0 BEAERN c1cc2cnccc2c(C2OCCO2)c1 ZINC000039120866 183336846 /nfs/dbraw/zinc/33/68/46/183336846.db2.gz AALWENMVRLOMMY-UHFFFAOYSA-N 0 0 201.225 2.280 10 0 BEAERN c1cc2c(o1)CCC[C@H]2NCc1ccncn1 ZINC000054788875 183352751 /nfs/dbraw/zinc/35/27/51/183352751.db2.gz VHVSVBANZIAJHT-GFCCVEGCSA-N 0 0 229.283 2.237 10 0 BEAERN c1cc(Cc2ccc3c(c2)OCO3)c[nH]1 ZINC000001744306 183354915 /nfs/dbraw/zinc/35/49/15/183354915.db2.gz BJGWUZMZELEBNL-UHFFFAOYSA-N 0 0 201.225 2.334 10 0 BEAERN c1nc(CNc2ccnc(C3CC3)n2)cs1 ZINC000110392397 183358929 /nfs/dbraw/zinc/35/89/29/183358929.db2.gz GZVRLOAFPCPOIL-UHFFFAOYSA-N 0 0 232.312 2.423 10 0 BEAERN c1cc2c(c(OC[C@@H]3CCOC3)c1)NCCC2 ZINC000049690098 183364863 /nfs/dbraw/zinc/36/48/63/183364863.db2.gz KRKRNISRLHGHEX-LLVKDONJSA-N 0 0 233.311 2.460 10 0 BEAERN CCCNC(=O)N1C[C@H](c2ccccc2)OC1=O ZINC000002019922 169235097 /nfs/dbraw/zinc/23/50/97/169235097.db2.gz AUVLZBKTWSCAIM-LLVKDONJSA-N 0 0 248.282 2.300 10 0 in-man BEAERN CCCNC(=O)NCC[C@H]1CNc2ccccc21 ZINC000020256995 169236586 /nfs/dbraw/zinc/23/65/86/169236586.db2.gz OGWMZTFYKJERSX-NSHDSACASA-N 0 0 247.342 2.295 10 0 BEAERN CCCNC(=O)Nc1ccc(N)cc1C ZINC000020256223 169240393 /nfs/dbraw/zinc/24/03/93/169240393.db2.gz OJOSBYWKMHUOHT-UHFFFAOYSA-N 0 0 207.277 2.109 10 0 BEAERN CCCNC(=O)c1cc(CCC)sc1N ZINC000104423200 169250373 /nfs/dbraw/zinc/25/03/73/169250373.db2.gz HZDUJFOPCRBQLZ-UHFFFAOYSA-N 0 0 226.345 2.423 10 0 BEAERN CCCNC(=O)c1ccc2c(c1)CCCN2 ZINC000019722840 169252200 /nfs/dbraw/zinc/25/22/00/169252200.db2.gz HDARIHPORJCFMU-UHFFFAOYSA-N 0 0 218.300 2.185 10 0 BEAERN c1cn(-c2ccccc2)nc1N1CCCC1 ZINC000083252994 183386809 /nfs/dbraw/zinc/38/68/09/183386809.db2.gz LEBOOPITOUPVDX-UHFFFAOYSA-N 0 0 213.284 2.473 10 0 BEAERN c1ccc(-n2nnnc2SCC2CC2)cc1 ZINC000122873796 183387893 /nfs/dbraw/zinc/38/78/93/183387893.db2.gz IIQDGSFZGOZINO-UHFFFAOYSA-N 0 0 232.312 2.164 10 0 BEAERN CCCN[C@H](c1cn[nH]c1)c1nccn1CCC ZINC000062779851 169290422 /nfs/dbraw/zinc/29/04/22/169290422.db2.gz ARNKTTLZGSZDQI-GFCCVEGCSA-N 0 0 247.346 2.105 10 0 BEAERN CCCOC(=O)c1c(N)cc(F)c(F)c1F ZINC000061119437 169300637 /nfs/dbraw/zinc/30/06/37/169300637.db2.gz GMASITJDTVPKCG-UHFFFAOYSA-N 0 0 233.189 2.253 10 0 BEAERN CCCOCC(=O)N(C)Cc1ccc(F)cc1 ZINC000123920241 169301813 /nfs/dbraw/zinc/30/18/13/169301813.db2.gz BTVINPYXCVIPLS-UHFFFAOYSA-N 0 0 239.290 2.211 10 0 BEAERN c1ccc(OCC2=NNc3ccncc3N2)cc1 ZINC000000001870 183419868 /nfs/dbraw/zinc/41/98/68/183419868.db2.gz NSOWETRRDBSIFL-UHFFFAOYSA-N 0 0 240.266 2.121 10 0 in-man BEAERN CCCOc1ccc(C(=O)COC)cc1 ZINC000036180610 169316975 /nfs/dbraw/zinc/31/69/75/169316975.db2.gz IGALXYJCLMOLQS-UHFFFAOYSA-N 0 0 208.257 2.305 10 0 BEAERN CCCN[C@](C)(C(=O)OC)c1ccc(C)cc1 ZINC000037513252 169293048 /nfs/dbraw/zinc/29/30/48/169293048.db2.gz BFBXIYKXVXAEHT-AWEZNQCLSA-N 0 0 235.327 2.383 10 0 BEAERN CCCNc1cc(C2CC2)nc(CCOC)n1 ZINC000103959110 169293678 /nfs/dbraw/zinc/29/36/78/169293678.db2.gz ACQKOGKKZWKWEC-UHFFFAOYSA-N 0 0 235.331 2.365 10 0 BEAERN CCCNc1cc(C(N)=O)ccc1Cl ZINC000036943564 169293712 /nfs/dbraw/zinc/29/37/12/169293712.db2.gz WEAQTLZHMLLKSW-UHFFFAOYSA-N 0 0 212.680 2.261 10 0 BEAERN CCCNc1cc(CCC)nc(CCOC)n1 ZINC000050850353 169293740 /nfs/dbraw/zinc/29/37/40/169293740.db2.gz USRIYRLRZXSXHR-UHFFFAOYSA-N 0 0 237.347 2.440 10 0 BEAERN CCCNc1cccc(-c2nncn2C)c1 ZINC000037125335 169294537 /nfs/dbraw/zinc/29/45/37/169294537.db2.gz VLXSJLRIPJLOTQ-UHFFFAOYSA-N 0 0 216.288 2.304 10 0 BEAERN CCCNc1nc(COC)nc2c1CCCC2 ZINC000050852517 169295502 /nfs/dbraw/zinc/29/55/02/169295502.db2.gz WUIRVHJSYXKINQ-UHFFFAOYSA-N 0 0 235.331 2.324 10 0 BEAERN CCCNc1ccnc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052303540 169295947 /nfs/dbraw/zinc/29/59/47/169295947.db2.gz RMWUJXSLGLYDER-ONGXEEELSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527061 169296939 /nfs/dbraw/zinc/29/69/39/169296939.db2.gz CHBAFKYXZSHTIR-UHFFFAOYSA-N 0 0 220.272 2.090 10 0 BEAERN CCCSc1ccnc(C(N)=S)c1 ZINC000033487989 169341144 /nfs/dbraw/zinc/34/11/44/169341144.db2.gz QOAMNGJMLKOCBI-UHFFFAOYSA-N 0 0 212.343 2.218 10 0 BEAERN c1ccc2ncc(N[C@H]3CCOC3)cc2c1 ZINC000070966206 183460526 /nfs/dbraw/zinc/46/05/26/183460526.db2.gz SOHXBRUTSYSLNG-NSHDSACASA-N 0 0 214.268 2.436 10 0 BEAERN CCCOc1ccccc1-c1nc[nH]n1 ZINC000123734929 169326453 /nfs/dbraw/zinc/32/64/53/169326453.db2.gz MKTCHFZZBOHAAN-UHFFFAOYSA-N 0 0 203.245 2.261 10 0 BEAERN CCCOc1ccccc1C[NH2+][C@@H](C)C(=O)[O-] ZINC000041689473 169326987 /nfs/dbraw/zinc/32/69/87/169326987.db2.gz ZNGQAHFMKOBPSG-JTQLQIEISA-N 0 0 237.299 2.038 10 0 BEAERN CCCOc1ccccc1NC(N)=S ZINC000033508072 169327439 /nfs/dbraw/zinc/32/74/39/169327439.db2.gz AXDYSMQZZUWBTI-UHFFFAOYSA-N 0 0 210.302 2.131 10 0 BEAERN CCCOc1nc(-n2cnc(C)c2C)ccc1N ZINC000051925411 169328257 /nfs/dbraw/zinc/32/82/57/169328257.db2.gz TUTAAPZNADJTML-UHFFFAOYSA-N 0 0 246.314 2.255 10 0 BEAERN CCCOc1nc(N2CCC[C@@H]2C)ccc1N ZINC000037910025 169328396 /nfs/dbraw/zinc/32/83/96/169328396.db2.gz SALDZAUVVQNJFP-JTQLQIEISA-N 0 0 235.331 2.441 10 0 BEAERN CCC[C@@H](C)N(C)Cc1nnc(C)n1CC ZINC000336682330 169365274 /nfs/dbraw/zinc/36/52/74/169365274.db2.gz RLGKCPSGTVVXPV-SNVBAGLBSA-N 0 0 224.352 2.227 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cc(OC)ccc1N ZINC000037846789 169368859 /nfs/dbraw/zinc/36/88/59/169368859.db2.gz HOSGYMUWXSUKKQ-SECBINFHSA-N 0 0 236.315 2.196 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cccc(OC)c1O ZINC000019838066 169369093 /nfs/dbraw/zinc/36/90/93/169369093.db2.gz NJHRZWCIFHEZJP-SECBINFHSA-N 0 0 237.299 2.319 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cccc(NCC)n1 ZINC000051068360 169369178 /nfs/dbraw/zinc/36/91/78/169369178.db2.gz LBPTYLHJHVMMQO-SNVBAGLBSA-N 0 0 235.331 2.432 10 0 BEAERN CCC[C@@H](C)NC(=O)c1ccc(O)cc1 ZINC000019838080 169369209 /nfs/dbraw/zinc/36/92/09/169369209.db2.gz LPVVEUUUMNELLV-SECBINFHSA-N 0 0 207.273 2.311 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754730 169348105 /nfs/dbraw/zinc/34/81/05/169348105.db2.gz WIFIMQCSJKSWRL-CHWSQXEVSA-N 0 0 249.358 2.310 10 0 BEAERN CCC[C@@H](C)Nc1ccc(-n2cnnn2)cc1 ZINC000020094436 169371454 /nfs/dbraw/zinc/37/14/54/169371454.db2.gz MJGGVHROFBEKSQ-SNVBAGLBSA-N 0 0 231.303 2.263 10 0 BEAERN CCC[C@@H](C)Nc1cc2c(cc1N)OCC(=O)N2 ZINC000035452806 169371749 /nfs/dbraw/zinc/37/17/49/169371749.db2.gz UUQZIWGUICOWQH-MRVPVSSYSA-N 0 0 249.314 2.200 10 0 BEAERN CCC[C@@H](C)c1nc(C(C)C)n(N)c1N ZINC000052839882 169374090 /nfs/dbraw/zinc/37/40/90/169374090.db2.gz XJJIMXDOOUEYHC-MRVPVSSYSA-N 0 0 210.325 2.206 10 0 BEAERN CCC[C@@H](CC)NC(=O)c1cc(NC)ccn1 ZINC000050771385 169378112 /nfs/dbraw/zinc/37/81/12/169378112.db2.gz IZHGEGVNQVENCM-SNVBAGLBSA-N 0 0 235.331 2.432 10 0 BEAERN CCC[C@@H](CC)NC(=O)c1cc(N)cc(N)c1 ZINC000050399047 169378138 /nfs/dbraw/zinc/37/81/38/169378138.db2.gz JBZAAKLJJBOHJF-GFCCVEGCSA-N 0 0 235.331 2.160 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccccn2)o1 ZINC000220879307 134316405 /nfs/dbraw/zinc/31/64/05/134316405.db2.gz PJLLQGSFIKSINE-SNVBAGLBSA-N 0 0 217.272 2.229 10 0 BEAERN CC(C)(C)OC(=O)N1CC2(CC2)CC[C@@H]1CO ZINC000091304477 166645870 /nfs/dbraw/zinc/64/58/70/166645870.db2.gz SINYZZWXJNWNAG-SNVBAGLBSA-N 0 0 241.331 2.158 10 0 BEAERN c1nn2c(c1-c1nc(C3CC3)no1)CCCC2 ZINC000125552522 183551432 /nfs/dbraw/zinc/55/14/32/183551432.db2.gz FYQSIDLPOWCLAF-UHFFFAOYSA-N 0 0 230.271 2.147 10 0 BEAERN CCC[C@H](O)c1ccc2c(c1)oc(=O)n2CC ZINC000051363599 169521169 /nfs/dbraw/zinc/52/11/69/169521169.db2.gz DGMFAVLKJYYCPW-NSHDSACASA-N 0 0 235.283 2.448 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)Cc1ccccc1O ZINC000231694868 169537150 /nfs/dbraw/zinc/53/71/50/169537150.db2.gz PTNCPRVFQGBQKB-CMPLNLGQSA-N 0 0 233.311 2.240 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccccc1N ZINC000119748800 169538504 /nfs/dbraw/zinc/53/85/04/169538504.db2.gz LQMAZXCNLOFIJL-JOYOIKCWSA-N 0 0 218.300 2.187 10 0 BEAERN CCCc1c(N)n(C)nc1-c1cccnc1 ZINC000026512109 169560688 /nfs/dbraw/zinc/56/06/88/169560688.db2.gz QYVFXOMUPMWRNS-UHFFFAOYSA-N 0 0 216.288 2.017 10 0 BEAERN CCCc1nc(-c2cccc(O)c2)no1 ZINC000026513632 169582051 /nfs/dbraw/zinc/58/20/51/169582051.db2.gz CVZDBIYKFBWGMS-UHFFFAOYSA-N 0 0 204.229 2.395 10 0 BEAERN CCCc1nnc(NC[C@H](O)CC(C)C)s1 ZINC000301643963 169598438 /nfs/dbraw/zinc/59/84/38/169598438.db2.gz CFASZEFIPMYOGB-SECBINFHSA-N 0 0 243.376 2.310 10 0 BEAERN O=C(CC1CCCC1)N[C@H]1CCCC[C@@H]1CO ZINC000225673285 134356503 /nfs/dbraw/zinc/35/65/03/134356503.db2.gz CBZLACUOPCFDTC-OLZOCXBDSA-N 0 0 239.359 2.234 10 0 BEAERN CCNC(=O)c1cccc(C(F)(F)F)c1N ZINC000060249361 1172605493 /nfs/dbraw/zinc/60/54/93/1172605493.db2.gz AUCUXKHNEJKDKZ-UHFFFAOYSA-N 0 0 232.205 2.037 10 0 BEAERN C[C@@H]1C[C@H](C(=O)NCCCCO)CC(C)(C)C1 ZINC000194978343 259630541 /nfs/dbraw/zinc/63/05/41/259630541.db2.gz MYGAQZVIQJHZIF-NEPJUHHUSA-N 0 0 241.375 2.338 10 0 BEAERN C[C@H]1C[C@H](C(=O)NCCCCO)CC(C)(C)C1 ZINC000194978352 259630661 /nfs/dbraw/zinc/63/06/61/259630661.db2.gz MYGAQZVIQJHZIF-RYUDHWBXSA-N 0 0 241.375 2.338 10 0 BEAERN CCCn1cc(N)cc1C(=O)N1CCC[C@@H]1C ZINC000037909661 169620161 /nfs/dbraw/zinc/62/01/61/169620161.db2.gz SFPHVNQBEQUGIP-JTQLQIEISA-N 0 0 235.331 2.105 10 0 BEAERN CCN(C(=O)c1ccccc1F)[C@@H](C)COC ZINC000037983958 169659647 /nfs/dbraw/zinc/65/96/47/169659647.db2.gz HFOPJVLHSAFHBO-JTQLQIEISA-N 0 0 239.290 2.323 10 0 BEAERN CCN(C(=O)c1cscn1)c1cccc(N)c1 ZINC000063107637 169662158 /nfs/dbraw/zinc/66/21/58/169662158.db2.gz XEVSPIRKCKOXJG-UHFFFAOYSA-N 0 0 247.323 2.392 10 0 BEAERN CO[C@H](C)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000227943666 259634726 /nfs/dbraw/zinc/63/47/26/259634726.db2.gz VZZNMWUWJNBEKB-GHMZBOCLSA-N 0 0 221.300 2.207 10 0 BEAERN CC[C@H](O)CCCNC(=O)[C@@H]1CCC[C@H]1C ZINC000344995621 383823488 /nfs/dbraw/zinc/82/34/88/383823488.db2.gz SBJSTVOLZPSYRU-GRYCIOLGSA-N 0 0 227.348 2.090 10 0 BEAERN Fc1ccc(-c2cnc(Cl)nn2)cc1 ZINC000066352152 383861282 /nfs/dbraw/zinc/86/12/82/383861282.db2.gz IWYSUQSGWOVPDF-UHFFFAOYSA-N 0 0 209.611 2.331 10 0 BEAERN N#Cc1ccc(F)c(CO)c1C(F)(F)F ZINC000575645187 383874580 /nfs/dbraw/zinc/87/45/80/383874580.db2.gz FHLNYQSCKHEIBQ-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN Nc1ccccc1N1CCC[C@H](CF)C1 ZINC000409434113 383829011 /nfs/dbraw/zinc/82/90/11/383829011.db2.gz ZZZLLGJCRCMONQ-SNVBAGLBSA-N 0 0 208.280 2.455 10 0 BEAERN COc1ncc2cc(Br)ccc2n1 ZINC000067172084 383912164 /nfs/dbraw/zinc/91/21/64/383912164.db2.gz RBTUNJGGBBBJTC-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN Nc1nc(-c2cccc(-c3ccco3)n2)ns1 ZINC000067173737 383915135 /nfs/dbraw/zinc/91/51/35/383915135.db2.gz VSFHJYKRZMCQMS-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN O=Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1 ZINC000089065341 383931269 /nfs/dbraw/zinc/93/12/69/383931269.db2.gz SAHYTNUNYNBELT-UHFFFAOYSA-N 0 0 241.172 2.099 10 0 BEAERN O=C1C2=C(CCCC2)C(=O)N1c1ccccc1 ZINC000001442818 383899321 /nfs/dbraw/zinc/89/93/21/383899321.db2.gz QBGQIMOGHUXVKB-UHFFFAOYSA-N 0 0 227.263 2.430 10 0 BEAERN Cc1ccc(C(F)(F)C(N)=S)cc1 ZINC000068576802 383999163 /nfs/dbraw/zinc/99/91/63/383999163.db2.gz XVAAHOZNDFMBML-UHFFFAOYSA-N 0 0 201.241 2.373 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000089160111 383938489 /nfs/dbraw/zinc/93/84/89/383938489.db2.gz JKKIWFTUAVNGDF-JSGCOSHPSA-N 0 0 247.338 2.194 10 0 BEAERN COC(=O)c1cccc2[nH]c(Cl)nc21 ZINC000089195088 383941554 /nfs/dbraw/zinc/94/15/54/383941554.db2.gz ILEUCNCKSCQHGO-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN c1cnn(-c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000089202743 383945030 /nfs/dbraw/zinc/94/50/30/383945030.db2.gz HHUQBVFRARBGBT-UHFFFAOYSA-N 0 0 210.240 2.262 10 0 BEAERN CCCCC(=O)Nc1c[nH]cc2ncnc1-2 ZINC000089203363 383947608 /nfs/dbraw/zinc/94/76/08/383947608.db2.gz YRNFRSBFOOLQHK-UHFFFAOYSA-N 0 0 218.260 2.087 10 0 BEAERN CC(C)(C)OC(=O)Nc1cc2cc[nH]c2cn1 ZINC000089219551 383949361 /nfs/dbraw/zinc/94/93/61/383949361.db2.gz SIBZAQBNQVOJTN-UHFFFAOYSA-N 0 0 233.271 2.332 10 0 BEAERN CCc1cc([N+](=O)[O-])c(C#N)cc1OC ZINC000575649261 383959479 /nfs/dbraw/zinc/95/94/79/383959479.db2.gz URZRUBVTXZQMGM-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2cn(C)nc2C)o1 ZINC000113148383 383970327 /nfs/dbraw/zinc/97/03/27/383970327.db2.gz BOKJXPOVCXQSST-SNVBAGLBSA-N 0 0 247.298 2.121 10 0 BEAERN Cc1ccc([C@H](C)NCc2ccno2)o1 ZINC000219402568 384016770 /nfs/dbraw/zinc/01/67/70/384016770.db2.gz GBKIMSUZORCTOE-VIFPVBQESA-N 0 0 206.245 2.427 10 0 BEAERN Nc1nnc(Cl)cc1-c1ccccc1 ZINC000114040179 384020673 /nfs/dbraw/zinc/02/06/73/384020673.db2.gz UXKMIHDDECVHGJ-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN COC(=O)c1ccc(NCCC2CCCC2)nn1 ZINC000037741470 384006169 /nfs/dbraw/zinc/00/61/69/384006169.db2.gz LTOANCTYIQGHKK-UHFFFAOYSA-N 0 0 249.314 2.255 10 0 BEAERN COc1cc(CO)cc(C#N)c1C(F)(F)F ZINC000575649903 384006313 /nfs/dbraw/zinc/00/63/13/384006313.db2.gz SWYIGIVHBURTJQ-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN COc1cc(C(F)(F)F)cc(C=O)c1C#N ZINC000575649928 384007929 /nfs/dbraw/zinc/00/79/29/384007929.db2.gz UGYRHQOOYAZMFX-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN O=C(c1ccoc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113891441 384009629 /nfs/dbraw/zinc/00/96/29/384009629.db2.gz UNHHHMFPNWAWNX-GFCCVEGCSA-N 0 0 245.282 2.370 10 0 BEAERN Cc1ccc([C@@H]2CCCC(=O)NC2)cc1 ZINC000090397001 384044946 /nfs/dbraw/zinc/04/49/46/384044946.db2.gz OCQLXQIBKSYECN-GFCCVEGCSA-N 0 0 203.285 2.379 10 0 BEAERN Cc1ccc([C@H]2CCCC(=O)NC2)cc1 ZINC000090397005 384045608 /nfs/dbraw/zinc/04/56/08/384045608.db2.gz OCQLXQIBKSYECN-LBPRGKRZSA-N 0 0 203.285 2.379 10 0 BEAERN Cc1csc([C@H](C)NC(=O)N[C@H]2C[C@@H]2C)n1 ZINC000075977551 384041485 /nfs/dbraw/zinc/04/14/85/384041485.db2.gz BPMOBSWXXIGHRR-XVYDVKMFSA-N 0 0 239.344 2.220 10 0 BEAERN Fc1ccc(F)c(CN2CC(n3cccn3)C2)c1 ZINC000363474210 384083694 /nfs/dbraw/zinc/08/36/94/384083694.db2.gz JZLNQLYNTLHVGZ-UHFFFAOYSA-N 0 0 249.264 2.218 10 0 BEAERN Clc1nncc(OC2CC2)c1Cl ZINC000091365342 384088803 /nfs/dbraw/zinc/08/88/03/384088803.db2.gz CAYZZLUDUKSIRC-UHFFFAOYSA-N 0 0 205.044 2.325 10 0 BEAERN COc1cc(CO)cc(C(F)(F)F)c1C#N ZINC000575650889 384054686 /nfs/dbraw/zinc/05/46/86/384054686.db2.gz WJJYZGJKWXDQGX-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(F)c1OC ZINC000259962269 384067038 /nfs/dbraw/zinc/06/70/38/384067038.db2.gz GMAYNJRLVZGSOE-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN CCN(C(=O)[C@@H]1CCOC1)[C@H](C)c1cccnc1 ZINC000115227151 384073142 /nfs/dbraw/zinc/07/31/42/384073142.db2.gz OPRSTPNMLXKPSD-DGCLKSJQSA-N 0 0 248.326 2.028 10 0 BEAERN c1nc(CN[C@H]2COc3ccccc32)cs1 ZINC000070070130 384077128 /nfs/dbraw/zinc/07/71/28/384077128.db2.gz QICZBRHVEVGRKQ-NSHDSACASA-N 0 0 232.308 2.366 10 0 BEAERN Cn1nc(-c2ccccc2)c2c1CCC[C@@H]2O ZINC000072415117 384095577 /nfs/dbraw/zinc/09/55/77/384095577.db2.gz OJVWFBVNYVEIBL-LBPRGKRZSA-N 0 0 228.295 2.457 10 0 BEAERN Cc1[nH]nc2c1[C@H](O)C[C@H](c1ccccc1O)C2 ZINC000072415259 384099185 /nfs/dbraw/zinc/09/91/85/384099185.db2.gz SNRANHLTJDUOAN-NOZJJQNGSA-N 0 0 244.294 2.187 10 0 BEAERN CC1=CC(O)(O)[C@@H](C)C=C1c1ccccc1 ZINC000039119052 384105784 /nfs/dbraw/zinc/10/57/84/384105784.db2.gz CQQHVARUCLRJOT-NSHDSACASA-N 0 0 216.280 2.347 10 0 BEAERN Cn1ncc2c1C[C@@H](c1ccccc1)C[C@H]2O ZINC000072415824 384107751 /nfs/dbraw/zinc/10/77/51/384107751.db2.gz SFYKMSYDJWVWTH-BXUZGUMPSA-N 0 0 228.295 2.184 10 0 BEAERN C[C@@H]1Cc2c(cnn2-c2ccccc2)[C@@H](O)C1 ZINC000072415612 384107877 /nfs/dbraw/zinc/10/78/77/384107877.db2.gz ZUEHBCOOXCCMKK-YGRLFVJLSA-N 0 0 228.295 2.488 10 0 BEAERN Cn1ncc2c1C[C@H](c1ccc(F)cc1)C[C@H]2O ZINC000072415850 384108251 /nfs/dbraw/zinc/10/82/51/384108251.db2.gz HJXJJPFRRPXUKR-IINYFYTJSA-N 0 0 246.285 2.323 10 0 BEAERN C[C@@H]1Cc2c(cnn2-c2ccccc2)[C@H](O)C1 ZINC000072415610 384109131 /nfs/dbraw/zinc/10/91/31/384109131.db2.gz ZUEHBCOOXCCMKK-QMTHXVAHSA-N 0 0 228.295 2.488 10 0 BEAERN O=C1c2ccccc2CC[C@@H]1C[C@H]1COCCO1 ZINC000039135164 384109550 /nfs/dbraw/zinc/10/95/50/384109550.db2.gz RMGQDDXUUCJTHW-OLZOCXBDSA-N 0 0 246.306 2.237 10 0 BEAERN COc1ccc2nc(OC)cc(Cl)c2n1 ZINC000091297322 384113981 /nfs/dbraw/zinc/11/39/81/384113981.db2.gz XGJVYCQQSBFNIO-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN COC(=O)c1cc2cc(OC)c(OC)cc2cn1 ZINC000027648696 384135975 /nfs/dbraw/zinc/13/59/75/384135975.db2.gz NVHPOVIVKRQNFK-UHFFFAOYSA-N 0 0 247.250 2.039 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]1/C=C/[N+](=O)[O-] ZINC000091351757 384121482 /nfs/dbraw/zinc/12/14/82/384121482.db2.gz PAWKTAHOTPAHNV-BNICOGTQSA-N 0 0 242.275 2.176 10 0 BEAERN CCOc1cc(Br)cnc1OC ZINC000091366374 384123046 /nfs/dbraw/zinc/12/30/46/384123046.db2.gz HHYJGWKKLNIRIE-UHFFFAOYSA-N 0 0 232.077 2.251 10 0 BEAERN O=Cc1cncc(-c2cccc(F)n2)c1 ZINC000091366266 384124028 /nfs/dbraw/zinc/12/40/28/384124028.db2.gz WRPBZJGNDKSQCW-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000091826800 384148017 /nfs/dbraw/zinc/14/80/17/384148017.db2.gz MGAFVMDDYJBAAY-QMMMGPOBSA-N 0 0 247.298 2.092 10 0 BEAERN Cc1ccc(CCNC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000116428844 384138263 /nfs/dbraw/zinc/13/82/63/384138263.db2.gz ZNMXTABVMQBRBL-WCQYABFASA-N 0 0 232.327 2.245 10 0 BEAERN O=C1Nc2ccccc2[C@H]1Cc1ccncc1 ZINC000005939784 384138255 /nfs/dbraw/zinc/13/82/55/384138255.db2.gz WZAHPBIKCLXYOE-GFCCVEGCSA-N 0 0 224.263 2.360 10 0 BEAERN COc1c(Cl)ccc2c(=O)[nH]ccc21 ZINC000116462777 384139471 /nfs/dbraw/zinc/13/94/71/384139471.db2.gz PJJQTWGDERFYAC-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(-c2cccs2)no1 ZINC000070997762 384144631 /nfs/dbraw/zinc/14/46/31/384144631.db2.gz OEKMFDLABMFPAE-QMMMGPOBSA-N 0 0 238.312 2.358 10 0 BEAERN CC(C)[C@H](O)Cc1nc(-c2cccs2)no1 ZINC000070997760 384145481 /nfs/dbraw/zinc/14/54/81/384145481.db2.gz OEKMFDLABMFPAE-MRVPVSSYSA-N 0 0 238.312 2.358 10 0 BEAERN CC(C)C[C@@H](CO)Nc1ncnc2ccccc21 ZINC000040779221 384164478 /nfs/dbraw/zinc/16/44/78/384164478.db2.gz CIEZSXRSKIVQNH-NSHDSACASA-N 0 0 245.326 2.449 10 0 BEAERN C[C@@H](NC(=O)C1C(C)(C)C1(C)C)[C@H]1CCCO1 ZINC000173935564 533045362 /nfs/dbraw/zinc/04/53/62/533045362.db2.gz DTXGDEVKXZDROX-NXEZZACHSA-N 0 0 239.359 2.352 10 0 BEAERN COc1cc(C#N)cc(C=O)c1OC(F)(F)F ZINC000575645921 384188600 /nfs/dbraw/zinc/18/86/00/384188600.db2.gz FFNNBXBQSLRBMB-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CNc1ncnc(NC(C)C)c1Br ZINC000234519270 384196543 /nfs/dbraw/zinc/19/65/43/384196543.db2.gz KBMAULIZMSDCQD-UHFFFAOYSA-N 0 0 245.124 2.101 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CSc2ccccc21 ZINC000118329258 384197312 /nfs/dbraw/zinc/19/73/12/384197312.db2.gz VUBOLNLVMSZRKP-IEBDPFPHSA-N 0 0 233.336 2.401 10 0 BEAERN Cc1cn(-c2cnc(Br)s2)cn1 ZINC000072193215 384198039 /nfs/dbraw/zinc/19/80/39/384198039.db2.gz AWOJLCQUZLQYFO-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN Cc1csc(CN(C)C[C@H]2CCCO2)n1 ZINC000118407252 384198824 /nfs/dbraw/zinc/19/88/24/384198824.db2.gz MPDFQPZMXXBHPE-SNVBAGLBSA-N 0 0 226.345 2.062 10 0 BEAERN CCCCN(CC)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132042862 384209652 /nfs/dbraw/zinc/20/96/52/384209652.db2.gz CVPNUYWIJHYUKU-LLVKDONJSA-N 0 0 249.358 2.478 10 0 BEAERN Cc1ccnc(N2C(=O)c3ccccc3C2=O)c1 ZINC000004914611 384214315 /nfs/dbraw/zinc/21/43/15/384214315.db2.gz DNJNBNSEZWBVOR-UHFFFAOYSA-N 0 0 238.246 2.191 10 0 BEAERN Nc1ncccc1CSC1CCOCC1 ZINC000062056662 384224793 /nfs/dbraw/zinc/22/47/93/384224793.db2.gz LQZTUGZPFWLZDB-UHFFFAOYSA-N 0 0 224.329 2.076 10 0 BEAERN C[C@@]1(C(=O)Nc2cccc(Cl)n2)CCCO1 ZINC000133151684 384229675 /nfs/dbraw/zinc/22/96/75/384229675.db2.gz XERBJIJDHBKOOB-NSHDSACASA-N 0 0 240.690 2.243 10 0 BEAERN CCc1ccccc1C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000335375299 384244567 /nfs/dbraw/zinc/24/45/67/384244567.db2.gz ZEADZHKGRRFDCP-DGCLKSJQSA-N 0 0 247.338 2.092 10 0 BEAERN CCc1ccccc1C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000335375297 384245009 /nfs/dbraw/zinc/24/50/09/384245009.db2.gz ZEADZHKGRRFDCP-AAEUAGOBSA-N 0 0 247.338 2.092 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000158573405 384246383 /nfs/dbraw/zinc/24/63/83/384246383.db2.gz IRRUBUPSIITKNY-KOLCDFICSA-N 0 0 242.278 2.480 10 0 BEAERN CC[C@H]1CCCN(C(=O)CCc2ccnn2C)C1 ZINC000119398490 384268482 /nfs/dbraw/zinc/26/84/82/384268482.db2.gz WLJLMNQAIAPZLE-LBPRGKRZSA-N 0 0 249.358 2.001 10 0 BEAERN O=Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000074139969 384275597 /nfs/dbraw/zinc/27/55/97/384275597.db2.gz UAXLBYYHIYNURW-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN Cc1c(CNc2ccc(C)nc2C)cnn1C ZINC000094664948 384310838 /nfs/dbraw/zinc/31/08/38/384310838.db2.gz BLMCDXYOSIFQGP-UHFFFAOYSA-N 0 0 230.315 2.352 10 0 BEAERN COC(=O)c1ccc(CNc2ccccc2)nc1 ZINC000094759133 384312694 /nfs/dbraw/zinc/31/26/94/384312694.db2.gz CDOANDDWYKPJSS-UHFFFAOYSA-N 0 0 242.278 2.480 10 0 BEAERN COC(=O)C1=C(O)CC[C@H](c2ccccc2)C1 ZINC000093954914 384282705 /nfs/dbraw/zinc/28/27/05/384282705.db2.gz QISHTJPQSJDTSQ-NWDGAFQWSA-N 0 0 232.279 2.312 10 0 BEAERN Cc1ccc(CCNC(=O)OC(C)C)o1 ZINC000497142028 384288836 /nfs/dbraw/zinc/28/88/36/384288836.db2.gz BNGRPRXOFDHWEM-UHFFFAOYSA-N 0 0 211.261 2.265 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@@H]2CCO[C@H]2C)c1 ZINC000134251587 384343313 /nfs/dbraw/zinc/34/33/13/384343313.db2.gz YDYYIHSVNBCQDD-JOYOIKCWSA-N 0 0 237.274 2.041 10 0 BEAERN Fc1cc(Cl)cc(NC2COC2)c1 ZINC000229989993 384343447 /nfs/dbraw/zinc/34/34/47/384343447.db2.gz LTUYYMJHTDFOOR-UHFFFAOYSA-N 0 0 201.628 2.290 10 0 BEAERN CCN(CC1CC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134337291 384348445 /nfs/dbraw/zinc/34/84/45/384348445.db2.gz DDNSJPLBQLLFFO-NSHDSACASA-N 0 0 247.342 2.088 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(OCC)ncn1 ZINC000228854369 384349863 /nfs/dbraw/zinc/34/98/63/384349863.db2.gz STWUSEJYQXKPKK-ZJUUUORDSA-N 0 0 221.304 2.476 10 0 BEAERN CC(=O)Nc1cccc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000076033596 384354766 /nfs/dbraw/zinc/35/47/66/384354766.db2.gz HBWFISWLOMUVRN-PELKAZGASA-N 0 0 247.298 2.175 10 0 BEAERN O=Cc1c[nH]c2cc(C(F)(F)F)ncc12 ZINC000044700066 384355728 /nfs/dbraw/zinc/35/57/28/384355728.db2.gz AQBFPVBSGKIDJU-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN CCc1c(Br)ccc(C(N)=O)c1F ZINC000095079526 384355887 /nfs/dbraw/zinc/35/58/87/384355887.db2.gz NGVXXCMBVDPYPR-UHFFFAOYSA-N 0 0 246.079 2.250 10 0 BEAERN Cc1cc(Br)nc(C)c1O ZINC000095093069 384363871 /nfs/dbraw/zinc/36/38/71/384363871.db2.gz GLMXOYJTFKWRKZ-UHFFFAOYSA-N 0 0 202.051 2.167 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc2ccccc2o1 ZINC000134571476 384368159 /nfs/dbraw/zinc/36/81/59/384368159.db2.gz WAYSCHFRMYMKPB-RKDXNWHRSA-N 0 0 218.256 2.417 10 0 BEAERN COc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075512043 384327228 /nfs/dbraw/zinc/32/72/28/384327228.db2.gz WLFZGTLPLKKACB-OIBJUYFYSA-N 0 0 239.702 2.487 10 0 BEAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075527677 384329231 /nfs/dbraw/zinc/32/92/31/384329231.db2.gz TUJAWZSVUNVPMV-YPMHNXCESA-N 0 0 245.322 2.483 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075527905 384329541 /nfs/dbraw/zinc/32/95/41/384329541.db2.gz WCBMVQUSGGJDTI-CABZTGNLSA-N 0 0 203.285 2.387 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000075528375 384329700 /nfs/dbraw/zinc/32/97/00/384329700.db2.gz AUFGTEZRYJFXSH-RNCFNFMXSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000075528524 384329754 /nfs/dbraw/zinc/32/97/54/384329754.db2.gz MIUKLJBWWCJWCM-XCBNKYQSSA-N 0 0 241.237 2.426 10 0 BEAERN CCOc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1OC ZINC000075521642 384329879 /nfs/dbraw/zinc/32/98/79/384329879.db2.gz SVTMBYYBWUZXTG-ONGXEEELSA-N 0 0 249.310 2.232 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075527909 384330469 /nfs/dbraw/zinc/33/04/69/384330469.db2.gz WCBMVQUSGGJDTI-SKDRFNHKSA-N 0 0 203.285 2.387 10 0 BEAERN CCc1cc(OC(F)F)c(CO)cc1OC ZINC000575658257 384392854 /nfs/dbraw/zinc/39/28/54/384392854.db2.gz RHOWJJFZLOODKQ-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Nc1cnc2cc(C(F)(F)F)ccc2n1 ZINC000095830778 384402024 /nfs/dbraw/zinc/40/20/24/384402024.db2.gz DZWCAXPPEMHRBD-UHFFFAOYSA-N 0 0 213.162 2.231 10 0 BEAERN CC[C@H](NC(=O)OC(C)(C)C)c1ncc[nH]1 ZINC000095883512 384405173 /nfs/dbraw/zinc/40/51/73/384405173.db2.gz BVPHWFFQXRGSBA-QMMMGPOBSA-N 0 0 225.292 2.386 10 0 BEAERN COc1cc(F)cc(OC(F)F)c1C=O ZINC000575659970 384406402 /nfs/dbraw/zinc/40/64/02/384406402.db2.gz MDYSJMOFWNJZKH-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C1=Cc2c3c(c4ccccc4c2=N1)=NCS3 ZINC000095931725 384409636 /nfs/dbraw/zinc/40/96/36/384409636.db2.gz CJUIDRHCICDBHE-UHFFFAOYSA-N 0 0 224.288 2.127 10 0 BEAERN CC(=O)N1C[C@@H](C(F)F)Cc2ccccc21 ZINC000616673005 384410885 /nfs/dbraw/zinc/41/08/85/384410885.db2.gz SAWMWYMVGNVQSW-JTQLQIEISA-N 0 0 225.238 2.477 10 0 BEAERN COc1sccc1C(=O)c1ccccn1 ZINC000095931763 384411024 /nfs/dbraw/zinc/41/10/24/384411024.db2.gz XTZQYZJYUIWIAA-UHFFFAOYSA-N 0 0 219.265 2.383 10 0 BEAERN CCc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000077563019 384411456 /nfs/dbraw/zinc/41/14/56/384411456.db2.gz PVRXDLLZEKLNKN-GXFFZTMASA-N 0 0 232.327 2.457 10 0 BEAERN CC[C@@H](CCC(N)=O)c1nc2ccccc2[nH]1 ZINC000095934783 384412496 /nfs/dbraw/zinc/41/24/96/384412496.db2.gz YJNMQMFOODQAJD-VIFPVBQESA-N 0 0 231.299 2.322 10 0 BEAERN CC(C)c1ccc(CON2CC[NH2+]CC2)cc1 ZINC000095934602 384413047 /nfs/dbraw/zinc/41/30/47/384413047.db2.gz RTHYPNOOQAHNAO-UHFFFAOYSA-N 0 0 234.343 2.147 10 0 BEAERN Cc1ccc(CO)c(F)c1OC(F)F ZINC000575661356 384414802 /nfs/dbraw/zinc/41/48/02/384414802.db2.gz MJBKAVSDDYPQJY-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COC(=O)c1cc2cccc(O)c2c(OC)c1 ZINC000095937682 384417534 /nfs/dbraw/zinc/41/75/34/384417534.db2.gz WASCCALFIICCMS-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN Cc1nc(C)c(F)c(NCc2ccsc2)n1 ZINC000335602298 384377713 /nfs/dbraw/zinc/37/77/13/384377713.db2.gz JVKKLQCLNGGDKS-UHFFFAOYSA-N 0 0 237.303 2.328 10 0 BEAERN COc1c(CO)cc(C)cc1OC(F)F ZINC000575664473 384425346 /nfs/dbraw/zinc/42/53/46/384425346.db2.gz GKDSQDGDBREMIY-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN Cn1cc(-c2ccc(Cl)c(O)c2)cn1 ZINC000156687692 384383087 /nfs/dbraw/zinc/38/30/87/384383087.db2.gz QVSDPGFAIQNHPA-UHFFFAOYSA-N 0 0 208.648 2.446 10 0 BEAERN CCc1cc(CO)cc(OC(F)F)c1OC ZINC000575657506 384385364 /nfs/dbraw/zinc/38/53/64/384385364.db2.gz NKJYXBJKANIQOU-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCCC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000120895487 384387894 /nfs/dbraw/zinc/38/78/94/384387894.db2.gz XQGDSMLIHMNGDJ-LLVKDONJSA-N 0 0 239.340 2.448 10 0 BEAERN CCc1ccc(CO)c(OC)c1OC(F)F ZINC000575658392 384389485 /nfs/dbraw/zinc/38/94/85/384389485.db2.gz SORRLBRDVLSTRI-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCC[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000121909768 384445995 /nfs/dbraw/zinc/44/59/95/384445995.db2.gz FPWWXABXPYZQAQ-GXFFZTMASA-N 0 0 239.315 2.316 10 0 BEAERN Cc1c2ccccc2oc1C(=O)N(C)[C@@H](C)CO ZINC000135577712 384453003 /nfs/dbraw/zinc/45/30/03/384453003.db2.gz FPHQIKWAWHLUBH-VIFPVBQESA-N 0 0 247.294 2.194 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)ccc1O ZINC000148556364 384469210 /nfs/dbraw/zinc/46/92/10/384469210.db2.gz ZNCUVNNUHRIBOH-CABZTGNLSA-N 0 0 235.283 2.207 10 0 BEAERN Cc1cc(C)c(C(F)(F)F)cc1C(N)=O ZINC000575672776 384471129 /nfs/dbraw/zinc/47/11/29/384471129.db2.gz NENHYPKDZPAEIQ-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN Cc1sccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000294187304 384471363 /nfs/dbraw/zinc/47/13/63/384471363.db2.gz FOHKUJCKZCKHFJ-RKDXNWHRSA-N 0 0 239.340 2.306 10 0 BEAERN CCCCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177733282 384471984 /nfs/dbraw/zinc/47/19/84/384471984.db2.gz XPRQXXCGOFKJNC-GFCCVEGCSA-N 0 0 235.331 2.064 10 0 BEAERN COC(=O)[C@@H]1CC[C@H](c2ccccc2C)CN1 ZINC000079026414 384478959 /nfs/dbraw/zinc/47/89/59/384478959.db2.gz DHMSYKCKJJPEIN-AAEUAGOBSA-N 0 0 233.311 2.004 10 0 BEAERN COC(=O)[C@H]1CC[C@H](c2cccc(C)c2)CN1 ZINC000079026390 384479641 /nfs/dbraw/zinc/47/96/41/384479641.db2.gz BSHFSTHSBFHPAK-QWHCGFSZSA-N 0 0 233.311 2.004 10 0 BEAERN OCc1c(O)ccc(Br)c1Cl ZINC000575676029 384481931 /nfs/dbraw/zinc/48/19/31/384481931.db2.gz PBYCERAAXXNWIK-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN CC[C@H](Nc1cnn(C)c(=O)c1Cl)C(C)C ZINC000136190427 384484205 /nfs/dbraw/zinc/48/42/05/384484205.db2.gz WHHDDIYXANKZHT-QMMMGPOBSA-N 0 0 243.738 2.280 10 0 BEAERN Cc1ccc([C@H](C)Nc2nccn3cnnc23)o1 ZINC000079468716 384498880 /nfs/dbraw/zinc/49/88/80/384498880.db2.gz DFXFPTHWGWLMLH-VIFPVBQESA-N 0 0 243.270 2.199 10 0 BEAERN COC[C@H](C)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000150832271 384509841 /nfs/dbraw/zinc/50/98/41/384509841.db2.gz MLDXINVVGJJJCT-GRYCIOLGSA-N 0 0 227.348 2.306 10 0 BEAERN CC(C)(C)CC[C@@H](N)C(=O)OC(C)(C)C ZINC000136840172 384510649 /nfs/dbraw/zinc/51/06/49/384510649.db2.gz ZWLWKIMBIOMKAZ-SECBINFHSA-N 0 0 215.337 2.482 10 0 BEAERN CCc1ccccc1CNC(=O)[C@@H](C)COC ZINC000122595332 384494127 /nfs/dbraw/zinc/49/41/27/384494127.db2.gz NFSXIMMLHZLIAJ-NSHDSACASA-N 0 0 235.327 2.148 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccnc1C(F)(F)F ZINC000136885977 384512459 /nfs/dbraw/zinc/51/24/59/384512459.db2.gz TUKBVVLSKYMHFG-SVRRBLITSA-N 0 0 244.216 2.239 10 0 BEAERN CCOC(=O)Cc1c(C)c(OC)ccc1OC ZINC000260445734 384515502 /nfs/dbraw/zinc/51/55/02/384515502.db2.gz QTMAXYBIZALRES-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN CCN(CC)c1ccc(N2CC[C@H](CO)C2)cc1 ZINC000011736403 384535980 /nfs/dbraw/zinc/53/59/80/384535980.db2.gz MGZPLHNDNDDMAP-ZDUSSCGKSA-N 0 0 248.370 2.351 10 0 BEAERN [NH3+]C[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000097430675 384516988 /nfs/dbraw/zinc/51/69/88/384516988.db2.gz BEGWVSISKCDDQP-NSHDSACASA-N 0 0 229.279 2.357 10 0 BEAERN C[C@@H](c1cccnc1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151034293 384536194 /nfs/dbraw/zinc/53/61/94/384536194.db2.gz ZPAXXTJWMPICOX-MDZLAQPJSA-N 0 0 248.326 2.169 10 0 BEAERN CC(C)CNC(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000489825355 384524957 /nfs/dbraw/zinc/52/49/57/384524957.db2.gz GCKZJHBQLYDXAO-RYUDHWBXSA-N 0 0 242.363 2.003 10 0 BEAERN C[C@@H](O)c1cc(Br)cc2c1OCC2 ZINC000123007950 384529227 /nfs/dbraw/zinc/52/92/27/384529227.db2.gz NSJZAQQYJDVUEW-ZCFIWIBFSA-N 0 0 243.100 2.437 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)C(C2CC2)C2CC2)O1 ZINC000151159715 384546283 /nfs/dbraw/zinc/54/62/83/384546283.db2.gz DFSZLRPFOOCAGK-BXKDBHETSA-N 0 0 237.343 2.201 10 0 BEAERN COc1cc(F)cc(C=O)c1Br ZINC000258223127 384547389 /nfs/dbraw/zinc/54/73/89/384547389.db2.gz QRTRURUAQPYDPS-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)Nc1ccsc1 ZINC000137835723 384548682 /nfs/dbraw/zinc/54/86/82/384548682.db2.gz COGFKPMCVIIOHY-APPZFPTMSA-N 0 0 226.301 2.047 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)Nc1ccsc1 ZINC000137835623 384549259 /nfs/dbraw/zinc/54/92/59/384549259.db2.gz COGFKPMCVIIOHY-IONNQARKSA-N 0 0 226.301 2.047 10 0 BEAERN COC(=O)c1cc(OC)cc(Cl)c1F ZINC000261085446 384559575 /nfs/dbraw/zinc/55/95/75/384559575.db2.gz TVCKHNFREIOCKP-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CC(C)C1(CNC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000176028616 384537458 /nfs/dbraw/zinc/53/74/58/384537458.db2.gz OTAKFLRTFMQIRJ-ZJUUUORDSA-N 0 0 210.321 2.130 10 0 BEAERN COC(=O)c1cc(O)c(Cl)cc1C ZINC000261167650 384579646 /nfs/dbraw/zinc/57/96/46/384579646.db2.gz XWCXFDJTLXFIQR-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1COc2ccccc21 ZINC000151321439 384565742 /nfs/dbraw/zinc/56/57/42/384565742.db2.gz QXORPUWCXLMHSO-SNVBAGLBSA-N 0 0 235.258 2.500 10 0 BEAERN Cc1cccc(CCNC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000151318456 384566219 /nfs/dbraw/zinc/56/62/19/384566219.db2.gz AMACVCJQNVYWSZ-GXTWGEPZSA-N 0 0 247.338 2.221 10 0 BEAERN COCc1nc(OC)cc(Br)c1C ZINC000098179598 384602696 /nfs/dbraw/zinc/60/26/96/384602696.db2.gz CZRKBBRSRTYEOH-UHFFFAOYSA-N 0 0 246.104 2.308 10 0 BEAERN CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)F ZINC000100316405 384634120 /nfs/dbraw/zinc/63/41/20/384634120.db2.gz IIDFOAUBRHHVOV-UHFFFAOYSA-N 0 0 228.185 2.461 10 0 BEAERN O=COCCCC(F)(F)C(F)(F)F ZINC000098210600 384604683 /nfs/dbraw/zinc/60/46/83/384604683.db2.gz TULHCRFSOXLRBR-UHFFFAOYSA-N 0 0 206.110 2.137 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccccc1C ZINC000103356014 384608375 /nfs/dbraw/zinc/60/83/75/384608375.db2.gz XHFKPLZJLFOACV-JTQLQIEISA-N 0 0 207.273 2.216 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000103356963 384609469 /nfs/dbraw/zinc/60/94/69/384609469.db2.gz BLUCMENPKVVOQP-ZCFIWIBFSA-N 0 0 247.216 2.325 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000103372533 384611400 /nfs/dbraw/zinc/61/14/00/384611400.db2.gz VCJVVZOQNPBRMX-SRVKXCTJSA-N 0 0 227.348 2.306 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1cc(Cl)ncn1 ZINC000050376730 384621573 /nfs/dbraw/zinc/62/15/73/384621573.db2.gz KDYNANQYWUDQMS-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN CC1CC(C(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000531009593 384633957 /nfs/dbraw/zinc/63/39/57/384633957.db2.gz SHGFSQONPVZGPI-UHFFFAOYSA-N 0 0 245.322 2.323 10 0 BEAERN CC(C)(C)OC(=O)NCc1cc(C=O)co1 ZINC000098096000 384592672 /nfs/dbraw/zinc/59/26/72/384592672.db2.gz DOHXRTCSTVRZND-UHFFFAOYSA-N 0 0 225.244 2.117 10 0 BEAERN Cc1cc(C)nc(NC[C@H]2CCCC[C@H]2O)n1 ZINC000086015148 384595502 /nfs/dbraw/zinc/59/55/02/384595502.db2.gz JAFLYPGJUMQYNC-VXGBXAGGSA-N 0 0 235.331 2.056 10 0 BEAERN CNc1nc(Cl)c(Cl)nc1Cl ZINC000098177603 384599238 /nfs/dbraw/zinc/59/92/38/384599238.db2.gz KYHFKDBTNZWXAI-UHFFFAOYSA-N 0 0 212.467 2.479 10 0 BEAERN Cc1nc(I)cs1 ZINC000098179164 384599613 /nfs/dbraw/zinc/59/96/13/384599613.db2.gz RMRJOGCAGPGZBU-UHFFFAOYSA-N 0 0 225.054 2.056 10 0 BEAERN O=Cc1ccc(-c2ccc(CO)cc2)cn1 ZINC000098180770 384602196 /nfs/dbraw/zinc/60/21/96/384602196.db2.gz OZBQEIFWXVRBHV-UHFFFAOYSA-N 0 0 213.236 2.053 10 0 BEAERN COc1c(C)cc(C)nc1Br ZINC000098179595 384602470 /nfs/dbraw/zinc/60/24/70/384602470.db2.gz SVJYUAVDCCGIHA-UHFFFAOYSA-N 0 0 216.078 2.470 10 0 BEAERN CCOc1cc(CC)c(C=O)c(OC)c1 ZINC000575696216 384668158 /nfs/dbraw/zinc/66/81/58/384668158.db2.gz KRIGEDUIUSQNPO-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)C1(C)CCCCC1 ZINC000157048508 384672292 /nfs/dbraw/zinc/67/22/92/384672292.db2.gz GFAVJFRAEUMWHC-QWRGUYRKSA-N 0 0 225.332 2.250 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC1 ZINC000173337538 384673978 /nfs/dbraw/zinc/67/39/78/384673978.db2.gz OIZMHVGOHXZRKI-GFCCVEGCSA-N 0 0 248.326 2.007 10 0 BEAERN COC(=O)c1cnc(C2CCC2)nc1Cl ZINC000258829573 384674543 /nfs/dbraw/zinc/67/45/43/384674543.db2.gz JDADCIHRHTUELX-UHFFFAOYSA-N 0 0 226.663 2.184 10 0 BEAERN Nc1ccc(Oc2ccc(N)c(O)c2)cc1O ZINC000082049785 384644564 /nfs/dbraw/zinc/64/45/64/384644564.db2.gz FFXSDAGPJYALFE-UHFFFAOYSA-N 0 0 232.239 2.055 10 0 BEAERN Cc1cnc(CCN(C)C(=O)C(C)C)s1 ZINC000124486449 384644920 /nfs/dbraw/zinc/64/49/20/384644920.db2.gz OVCYMTYRZWMXJK-UHFFFAOYSA-N 0 0 226.345 2.108 10 0 BEAERN Cc1csc(SCc2nnsc2N)n1 ZINC000050834336 384645160 /nfs/dbraw/zinc/64/51/60/384645160.db2.gz GBVRXFAGOWCAAQ-UHFFFAOYSA-N 0 0 244.370 2.178 10 0 BEAERN COc1c(O)cccc1OC(F)(F)F ZINC000238436305 384661095 /nfs/dbraw/zinc/66/10/95/384661095.db2.gz UXAKOMPNZZJIDM-UHFFFAOYSA-N 0 0 208.135 2.299 10 0 BEAERN COC(=O)c1coc2cc(OC)ccc12 ZINC000141819127 384683208 /nfs/dbraw/zinc/68/32/08/384683208.db2.gz IPTPNSIINBKTKM-UHFFFAOYSA-N 0 0 206.197 2.228 10 0 BEAERN OC1CCC(Nc2ccncc2Cl)CC1 ZINC000086778340 384683153 /nfs/dbraw/zinc/68/31/53/384683153.db2.gz WLZJMNSRIVIHNM-UHFFFAOYSA-N 0 0 226.707 2.450 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000173478330 384684484 /nfs/dbraw/zinc/68/44/84/384684484.db2.gz GZFNRFKDZYCZNJ-AUTRQRHGSA-N 0 0 221.275 2.454 10 0 BEAERN CC[C@@]1(C)CCCN(C(=O)[C@@H](C)COC)C1 ZINC000173499655 384686277 /nfs/dbraw/zinc/68/62/77/384686277.db2.gz FDXCXZYXURCOAD-AAEUAGOBSA-N 0 0 227.348 2.308 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2cncc(O)c2)o1 ZINC000104416624 384686243 /nfs/dbraw/zinc/68/62/43/384686243.db2.gz DKJISCUSYMEHIR-VIFPVBQESA-N 0 0 246.266 2.180 10 0 BEAERN COCc1cnc(NCC(C)(C)COC)s1 ZINC000309881933 384688189 /nfs/dbraw/zinc/68/81/89/384688189.db2.gz VXBASMAZEJFMII-UHFFFAOYSA-N 0 0 244.360 2.374 10 0 BEAERN CCOC(=O)/C=C(\COC(C)=O)c1ccccc1 ZINC000220196896 384691987 /nfs/dbraw/zinc/69/19/87/384691987.db2.gz DGGFSVDUEHYORI-UKTHLTGXSA-N 0 0 248.278 2.196 10 0 BEAERN Cn1nccc1CNC(=O)C1CCCCCC1 ZINC000101855088 384693127 /nfs/dbraw/zinc/69/31/27/384693127.db2.gz XBPMMKNBPPTDJX-UHFFFAOYSA-N 0 0 235.331 2.007 10 0 BEAERN CC[C@@H](C)N(C)Cc1nnc(C)n1C1CC1 ZINC000104688436 384702787 /nfs/dbraw/zinc/70/27/87/384702787.db2.gz ZZOMACHZRCTDLN-SECBINFHSA-N 0 0 222.336 2.152 10 0 BEAERN O=C1NC(=O)c2c1cc(Cl)c1ccccc21 ZINC000142783609 384707702 /nfs/dbraw/zinc/70/77/02/384707702.db2.gz BMOMJYDTPRKGEN-UHFFFAOYSA-N 0 0 231.638 2.377 10 0 BEAERN O=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@H]1O ZINC000051990520 384707862 /nfs/dbraw/zinc/70/78/62/384707862.db2.gz DFAHANWYPSKHEP-NXFSIWHZSA-N 0 0 245.322 2.120 10 0 BEAERN CCOCCN1CCO[C@@H](c2ccsc2)C1 ZINC000125311406 384710850 /nfs/dbraw/zinc/71/08/50/384710850.db2.gz RJKXKWNAFZUUMJ-GFCCVEGCSA-N 0 0 241.356 2.158 10 0 BEAERN CC1CC(c2nnc(Br)o2)C1 ZINC000575596982 384711538 /nfs/dbraw/zinc/71/15/38/384711538.db2.gz SPSQBXXVEVNFLD-UHFFFAOYSA-N 0 0 217.066 2.346 10 0 BEAERN CCN(CC)c1ccc(C(=O)N2CCCO2)cc1 ZINC000125418011 384714458 /nfs/dbraw/zinc/71/44/58/384714458.db2.gz LIVQOPFWWDHGNI-UHFFFAOYSA-N 0 0 248.326 2.310 10 0 BEAERN C[C@H]1Oc2c(cc(F)cc2Cl)C1=O ZINC000105738380 384716150 /nfs/dbraw/zinc/71/61/50/384716150.db2.gz JNCGFEAIVWQPIP-SCSAIBSYSA-N 0 0 200.596 2.443 10 0 BEAERN Cc1nsc(NC[C@@H]2CC23CCOCC3)n1 ZINC000309923915 384719657 /nfs/dbraw/zinc/71/96/57/384719657.db2.gz ULSHAZGQJHYYJU-VIFPVBQESA-N 0 0 239.344 2.075 10 0 BEAERN O=Cc1cnn(C/C=C/c2ccccc2)c1 ZINC000585142851 384773678 /nfs/dbraw/zinc/77/36/78/384773678.db2.gz JANMJXZSUFKCPE-QPJJXVBHSA-N 0 0 212.252 2.409 10 0 BEAERN C[C@H](C(=O)N[C@H]1CCCCC[C@H]1O)C(C)(C)C ZINC000360550530 384775305 /nfs/dbraw/zinc/77/53/05/384775305.db2.gz OKPMBPAPQSCMGQ-GRYCIOLGSA-N 0 0 241.375 2.478 10 0 BEAERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000176765923 384777091 /nfs/dbraw/zinc/77/70/91/384777091.db2.gz PUNUWQHENBKVPS-MQYQWHSLSA-N 0 0 249.354 2.203 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCCCC[C@H]1O)C(C)(C)C ZINC000360550531 384777195 /nfs/dbraw/zinc/77/71/95/384777195.db2.gz OKPMBPAPQSCMGQ-IJLUTSLNSA-N 0 0 241.375 2.478 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCCCC[C@@H]1O)C(C)(C)C ZINC000360550532 384777623 /nfs/dbraw/zinc/77/76/23/384777623.db2.gz OKPMBPAPQSCMGQ-UTUOFQBUSA-N 0 0 241.375 2.478 10 0 BEAERN C[C@@H](CO)[C@H](C)Nc1nc2ccccc2o1 ZINC000125634019 384738216 /nfs/dbraw/zinc/73/82/16/384738216.db2.gz BLEUWMAYQCJDSI-IUCAKERBSA-N 0 0 220.272 2.257 10 0 BEAERN Cc1nnc(N[C@H]2COc3ccccc32)s1 ZINC000083119563 384743715 /nfs/dbraw/zinc/74/37/15/384743715.db2.gz NIZYTQTZEQEHTA-VIFPVBQESA-N 0 0 233.296 2.392 10 0 BEAERN CO[C@H](C)[C@H](C)Nc1nc(C)nc(C)c1F ZINC000309963342 384750472 /nfs/dbraw/zinc/75/04/72/384750472.db2.gz MIAUAXWYTSDMQR-POYBYMJQSA-N 0 0 227.283 2.068 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CCC[C@H]1C)c1cn[nH]c1 ZINC000300395744 384751353 /nfs/dbraw/zinc/75/13/53/384751353.db2.gz HMOKUELOHFUXED-WCABBAIRSA-N 0 0 221.304 2.023 10 0 BEAERN CCc1c(F)cc(SC)cc1C(N)=O ZINC000575702241 384759129 /nfs/dbraw/zinc/75/91/29/384759129.db2.gz MITIUNHRXCKHPD-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccccc1F ZINC000103356439 384761968 /nfs/dbraw/zinc/76/19/68/384761968.db2.gz MWUZMAAUBIITHP-QMMMGPOBSA-N 0 0 211.236 2.047 10 0 BEAERN COC[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000103355771 384763127 /nfs/dbraw/zinc/76/31/27/384763127.db2.gz WYHVNZDJARAQDW-NSHDSACASA-N 0 0 233.311 2.248 10 0 BEAERN CCc1cccc(NC(=O)[C@@H](C)COC)c1 ZINC000103357657 384764892 /nfs/dbraw/zinc/76/48/92/384764892.db2.gz MVATUYGTVWAFEP-JTQLQIEISA-N 0 0 221.300 2.470 10 0 BEAERN CCN(C(=O)[C@H](C)COC)c1cccc(F)c1 ZINC000103373395 384765010 /nfs/dbraw/zinc/76/50/10/384765010.db2.gz CEFYAKXASKXJLZ-SNVBAGLBSA-N 0 0 239.290 2.461 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2ncccc2c1 ZINC000103380586 384767246 /nfs/dbraw/zinc/76/72/46/384767246.db2.gz LUBZXXQCZYNHHO-SNVBAGLBSA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@@H](C)C(=O)N(C)Cc1ccc(C)s1 ZINC000103394163 384767750 /nfs/dbraw/zinc/76/77/50/384767750.db2.gz AACCOOXJOKNXDM-SECBINFHSA-N 0 0 241.356 2.297 10 0 BEAERN CCOc1cccc(NC(=O)[C@H](C)COC)c1 ZINC000103383183 384767874 /nfs/dbraw/zinc/76/78/74/384767874.db2.gz XAQLALASNJRCOZ-SNVBAGLBSA-N 0 0 237.299 2.306 10 0 BEAERN COCc1ccccc1NC(=O)[C@H](C)COC ZINC000103380190 384768850 /nfs/dbraw/zinc/76/88/50/384768850.db2.gz QLHVNTXSJPBOBM-SNVBAGLBSA-N 0 0 237.299 2.054 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000103428606 384771006 /nfs/dbraw/zinc/77/10/06/384771006.db2.gz ZCDFVCMSFRGQNN-MRVPVSSYSA-N 0 0 248.282 2.357 10 0 BEAERN COc1c(CO)ccc(F)c1OC(F)(F)F ZINC000575708667 384818260 /nfs/dbraw/zinc/81/82/60/384818260.db2.gz UROOODJIUIKSIG-UHFFFAOYSA-N 0 0 240.152 2.225 10 0 BEAERN Brc1nccc(-c2ccncc2)n1 ZINC000072204614 384819217 /nfs/dbraw/zinc/81/92/17/384819217.db2.gz DXZCUCWHHGSXRX-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN CCN(C)C(=O)N(C)Cc1ccc(C)o1 ZINC000126990691 384828299 /nfs/dbraw/zinc/82/82/99/384828299.db2.gz OOFNUCCAMRYFAL-UHFFFAOYSA-N 0 0 210.277 2.092 10 0 BEAERN Cc1nsc(N[C@H]2COc3ccccc32)n1 ZINC000083648744 384787258 /nfs/dbraw/zinc/78/72/58/384787258.db2.gz CXWBYKCVKBTORO-VIFPVBQESA-N 0 0 233.296 2.392 10 0 BEAERN COC(=O)C[C@@H](NC(=O)C(C)C)c1ccccc1 ZINC000053659973 384801549 /nfs/dbraw/zinc/80/15/49/384801549.db2.gz XQSWIBXQLYTNIY-GFCCVEGCSA-N 0 0 249.310 2.063 10 0 BEAERN CC(C)(C)CCC(=O)N1CC[C@H](CCO)C1 ZINC000300757622 384869811 /nfs/dbraw/zinc/86/98/11/384869811.db2.gz FQXBITNCYLXVDO-LLVKDONJSA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)(C)OCc1nc(Br)no1 ZINC000156785476 384877988 /nfs/dbraw/zinc/87/79/88/384877988.db2.gz JZYZSOICFXPLLJ-UHFFFAOYSA-N 0 0 235.081 2.147 10 0 BEAERN CSCCC(=O)Nc1nnc(C(C)C)s1 ZINC000026601763 384880415 /nfs/dbraw/zinc/88/04/15/384880415.db2.gz YLDPNMWSIHHLSP-UHFFFAOYSA-N 0 0 245.373 2.353 10 0 BEAERN CCCC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105856322 384882614 /nfs/dbraw/zinc/88/26/14/384882614.db2.gz UOYFHQGWIUWEHP-LBPRGKRZSA-N 0 0 235.331 2.155 10 0 BEAERN CC(C)CCc1nc(Br)no1 ZINC000156582054 384890100 /nfs/dbraw/zinc/89/01/00/384890100.db2.gz ZFGNJECZWXMSFV-UHFFFAOYSA-N 0 0 219.082 2.421 10 0 BEAERN FCCCOC(OCCCF)OCCCF ZINC000072265728 384886853 /nfs/dbraw/zinc/88/68/53/384886853.db2.gz XQUBPTRLPUDMII-UHFFFAOYSA-N 0 0 244.253 2.399 10 0 BEAERN CC(C)(C)c1n[nH]c(COc2cccc(N)c2)n1 ZINC000072236697 384841725 /nfs/dbraw/zinc/84/17/25/384841725.db2.gz ROQFWKVTSMNWSZ-UHFFFAOYSA-N 0 0 246.314 2.263 10 0 BEAERN Nc1onc2c1cnc1ccc(F)cc21 ZINC000072237011 384842782 /nfs/dbraw/zinc/84/27/82/384842782.db2.gz VISNDUAOJMBOFM-UHFFFAOYSA-N 0 0 203.176 2.097 10 0 BEAERN CCOc1ccc2c3n[nH]c(=O)c-3c[nH]c2c1 ZINC000072237179 384843219 /nfs/dbraw/zinc/84/32/19/384843219.db2.gz RAYQRVAWFONOKH-UHFFFAOYSA-N 0 0 229.239 2.215 10 0 BEAERN CC(C)(C)OC(=O)[C@@](C)(F)Br ZINC000072265754 384888266 /nfs/dbraw/zinc/88/82/66/384888266.db2.gz ALFMZDRSSWPMRR-SSDOTTSWSA-N 0 0 227.073 2.409 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc(O)c1F ZINC000575713848 384857445 /nfs/dbraw/zinc/85/74/45/384857445.db2.gz HJZIVVPDQBSRQC-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COC(=O)c1c(O)ccc(F)c1C(F)(F)F ZINC000575713452 384858258 /nfs/dbraw/zinc/85/82/58/384858258.db2.gz BAGISKBUPSDAIT-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN CSCC(=O)Nc1nc(C2CC2)cs1 ZINC000026050572 384866268 /nfs/dbraw/zinc/86/62/68/384866268.db2.gz XEZZTAHZSQAXLQ-UHFFFAOYSA-N 0 0 228.342 2.322 10 0 BEAERN O=C1c2ccc(O)cc2C[C@H]1Cc1ccncc1 ZINC000013736305 384867738 /nfs/dbraw/zinc/86/77/38/384867738.db2.gz QBNIMNDGESXBEA-GFCCVEGCSA-N 0 0 239.274 2.385 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nc(COC)ns1 ZINC000301533733 384891782 /nfs/dbraw/zinc/89/17/82/384891782.db2.gz IKOKVEBHJJKCMP-YUMQZZPRSA-N 0 0 227.333 2.285 10 0 BEAERN Nc1cc(Br)cc(O)c1Cl ZINC000575719995 384892469 /nfs/dbraw/zinc/89/24/69/384892469.db2.gz RAOQCIBRRPLLMC-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN Cc1c(N)cc(Br)cc1O ZINC000575720223 384893211 /nfs/dbraw/zinc/89/32/11/384893211.db2.gz ITVHAYSBRSRBCY-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN C[C@@H]1CC[C@@H](c2nc(Br)no2)O1 ZINC000156571381 384896948 /nfs/dbraw/zinc/89/69/48/384896948.db2.gz JACCFKMZANURHU-UHNVWZDZSA-N 0 0 233.065 2.072 10 0 BEAERN Nc1cc(C(F)(F)F)cc(N)c1OC(F)F ZINC000575722254 384899504 /nfs/dbraw/zinc/89/95/04/384899504.db2.gz FTBJLJDDPJJYDP-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN COc1cc(N)c(C)cc1OC(F)F ZINC000575722730 384901743 /nfs/dbraw/zinc/90/17/43/384901743.db2.gz FKPPINYPDBZPKJ-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCCc1nnc(NC[C@@H](O)CCC)s1 ZINC000301645792 384903998 /nfs/dbraw/zinc/90/39/98/384903998.db2.gz DBCGNACRCPFGOT-QMMMGPOBSA-N 0 0 229.349 2.064 10 0 BEAERN CCc1ccc(N)c(Br)c1N ZINC000575723704 384903881 /nfs/dbraw/zinc/90/38/81/384903881.db2.gz ZYLDJZKZGLGVPO-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000150031430 384958680 /nfs/dbraw/zinc/95/86/80/384958680.db2.gz QLAVLFXDJJKGKK-BQBZGAKWSA-N 0 0 247.220 2.085 10 0 BEAERN CCCc1nnc(NC[C@@H](O)[C@H](C)CC)s1 ZINC000301676359 384908607 /nfs/dbraw/zinc/90/86/07/384908607.db2.gz QPFXWWATCDOGIX-RKDXNWHRSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1cc(C)cc(N)c1CC ZINC000575724277 384909489 /nfs/dbraw/zinc/90/94/89/384909489.db2.gz DFIZLXDIARVKCV-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN Cc1cscc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000175522618 384919218 /nfs/dbraw/zinc/91/92/18/384919218.db2.gz ZDUMDLYVTZVXMF-MWLCHTKSSA-N 0 0 239.340 2.354 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000175522334 384919999 /nfs/dbraw/zinc/91/99/99/384919999.db2.gz JPAANQWIRULVEL-QWRGUYRKSA-N 0 0 237.299 2.194 10 0 BEAERN Clc1ccc([C@@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894763 384920517 /nfs/dbraw/zinc/92/05/17/384920517.db2.gz QQIAGCJMLMLXHR-ZDUSSCGKSA-N 0 0 236.746 2.449 10 0 BEAERN Cc1ccc(N)c(OC(F)(F)F)c1O ZINC000575729381 384922048 /nfs/dbraw/zinc/92/20/48/384922048.db2.gz ZISHGPKOKDIIFT-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1nnc(N[C@@H]2CCCCC[C@@H]2CO)s1 ZINC000301808160 384927191 /nfs/dbraw/zinc/92/71/91/384927191.db2.gz ZBWBGIXJQHSWSI-NXEZZACHSA-N 0 0 241.360 2.200 10 0 BEAERN COC(=O)c1cccc(C(=O)C2CCC2)c1 ZINC000258188808 384931980 /nfs/dbraw/zinc/93/19/80/384931980.db2.gz CQPBQGGVGDWQLZ-UHFFFAOYSA-N 0 0 218.252 2.456 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2C)c(F)c1 ZINC000149545686 384934083 /nfs/dbraw/zinc/93/40/83/384934083.db2.gz VUFYGRKMLUGING-JOYOIKCWSA-N 0 0 237.274 2.041 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nccnc1N(C)C ZINC000302197532 384979137 /nfs/dbraw/zinc/97/91/37/384979137.db2.gz PKQTVZVNKJFRCH-NXEZZACHSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@H](O)C(C)(C)NC(=O)c1cc2ccccc2[nH]1 ZINC000128062662 384990129 /nfs/dbraw/zinc/99/01/29/384990129.db2.gz LAUKQJVMPLGEBL-VIFPVBQESA-N 0 0 246.310 2.057 10 0 BEAERN CC(C)(C)N1CC(=O)Nc2ccccc21 ZINC000086158642 384994302 /nfs/dbraw/zinc/99/43/02/384994302.db2.gz YZDRHJVNYYZJHK-UHFFFAOYSA-N 0 0 204.273 2.244 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)c(F)c1 ZINC000086789677 385047797 /nfs/dbraw/zinc/04/77/97/385047797.db2.gz INBXIWKUWHWZNU-KCJUWKMLSA-N 0 0 207.248 2.272 10 0 BEAERN COc1cc(OC(F)(F)F)c(C#N)cc1C=O ZINC000575647042 385084208 /nfs/dbraw/zinc/08/42/08/385084208.db2.gz IMSJOTNEPHBJMD-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CO[C@@H](C)c1noc(C(C)(Cl)Cl)n1 ZINC000271942586 385076197 /nfs/dbraw/zinc/07/61/97/385076197.db2.gz MIGYHSWNSFCWAK-BYPYZUCNSA-N 0 0 225.075 2.427 10 0 BEAERN CSc1cncc(NCC[C@H]2CCCO2)n1 ZINC000131279069 385081428 /nfs/dbraw/zinc/08/14/28/385081428.db2.gz XSKQWCFKBFBPMR-SECBINFHSA-N 0 0 239.344 2.180 10 0 BEAERN C[C@H](NC(=O)[C@]1(C)CCCO1)c1cccc(O)c1 ZINC000130422630 385032010 /nfs/dbraw/zinc/03/20/10/385032010.db2.gz MBDPTKHSLPOUSQ-HZMBPMFUSA-N 0 0 249.310 2.139 10 0 BEAERN Cc1noc(/C=C/c2ccccc2O)n1 ZINC000005510027 385037478 /nfs/dbraw/zinc/03/74/78/385037478.db2.gz TWBMLYAQHDDZHU-VOTSOKGWSA-N 0 0 202.213 2.254 10 0 BEAERN OC1CC(CNc2ncc(Cl)cc2F)C1 ZINC000086710967 385039284 /nfs/dbraw/zinc/03/92/84/385039284.db2.gz IEFFPQDZPSXHAG-UHFFFAOYSA-N 0 0 230.670 2.057 10 0 BEAERN COc1nc(Cl)nc2c1cnn2C(C)(C)C ZINC000407986252 385109693 /nfs/dbraw/zinc/10/96/93/385109693.db2.gz REHKFMRUFSAGIH-UHFFFAOYSA-N 0 0 240.694 2.243 10 0 BEAERN Cc1cnc(NC(=O)[C@H]2CCCO[C@H]2C)s1 ZINC000188974197 385110371 /nfs/dbraw/zinc/11/03/71/385110371.db2.gz MQFXOFBHECKYMV-IUCAKERBSA-N 0 0 240.328 2.205 10 0 BEAERN Cc1cc(C)c(C(=O)N2CCS[C@@H](C)C2)o1 ZINC000176486029 385117337 /nfs/dbraw/zinc/11/73/37/385117337.db2.gz PHJOSEFGPMWFDI-JTQLQIEISA-N 0 0 239.340 2.474 10 0 BEAERN Nc1nnc(C2(c3ccccc3)CC2)s1 ZINC000061618259 385126144 /nfs/dbraw/zinc/12/61/44/385126144.db2.gz XGCRKKXNDQBJGR-UHFFFAOYSA-N 0 0 217.297 2.200 10 0 BEAERN CC(C)(C)OC(=O)c1nc2cc(N)ccc2[nH]1 ZINC000095627159 385086249 /nfs/dbraw/zinc/08/62/49/385086249.db2.gz LFCAFPYYNMNBDK-UHFFFAOYSA-N 0 0 233.271 2.100 10 0 BEAERN CCC1(NC(=O)c2ccccc2O)CCC1 ZINC000128974554 385093694 /nfs/dbraw/zinc/09/36/94/385093694.db2.gz CRMYEQFMUXNUBN-UHFFFAOYSA-N 0 0 219.284 2.455 10 0 BEAERN COC(=O)C[C@H](C)SC[C@H](O)C(C)(C)C ZINC000308788289 385104860 /nfs/dbraw/zinc/10/48/60/385104860.db2.gz HGJZBPBKIUFYSI-IUCAKERBSA-N 0 0 234.361 2.078 10 0 BEAERN CN(C[C@@H](O)C(F)(F)F)c1ccc(F)cc1 ZINC000109706806 385186162 /nfs/dbraw/zinc/18/61/62/385186162.db2.gz MEEAKHNKXTXQTA-SECBINFHSA-N 0 0 237.196 2.185 10 0 BEAERN O=C(c1ccccc1F)N1CCC[C@@]12CCOC2 ZINC000310831636 385188840 /nfs/dbraw/zinc/18/88/40/385188840.db2.gz LWHAJBVCYFNDPX-AWEZNQCLSA-N 0 0 249.285 2.221 10 0 BEAERN Cc1ccc(NC(=O)N[C@H]2C[C@H]2C)c(C)n1 ZINC000176761144 385146015 /nfs/dbraw/zinc/14/60/15/385146015.db2.gz JHOZNUVJNARALK-HQJQHLMTSA-N 0 0 219.288 2.228 10 0 BEAERN Nc1nc2c(s1)CN(Cc1ccccc1)C2 ZINC000062215456 385166332 /nfs/dbraw/zinc/16/63/32/385166332.db2.gz JCKFOAYZVWVYCN-UHFFFAOYSA-N 0 0 231.324 2.241 10 0 BEAERN Nc1ccc2nc(-n3ccnc3)sc2c1 ZINC000063104762 385208561 /nfs/dbraw/zinc/20/85/61/385208561.db2.gz LVELDZDMOXTOHR-UHFFFAOYSA-N 0 0 216.269 2.064 10 0 BEAERN Cc1cnc(SC[C@@H](O)C(C)(C)C)nc1 ZINC000308840174 385213221 /nfs/dbraw/zinc/21/32/21/385213221.db2.gz YIFPPHMWDQQHGY-SECBINFHSA-N 0 0 226.345 2.284 10 0 BEAERN COc1ccccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190251277 385226576 /nfs/dbraw/zinc/22/65/76/385226576.db2.gz KLQDIYOCQFXWJL-GHMZBOCLSA-N 0 0 249.310 2.449 10 0 BEAERN CCc1cnc(NC(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000157684772 385246790 /nfs/dbraw/zinc/24/67/90/385246790.db2.gz VMQVPVZFKDLJOT-CBAPKCEASA-N 0 0 240.328 2.212 10 0 BEAERN CCCc1cc(Br)ncn1 ZINC000040765779 385311188 /nfs/dbraw/zinc/31/11/88/385311188.db2.gz SMIHSBFFEJMPKX-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN CS[C@@H](C)C(=O)NCCC1=CCCC1 ZINC000131160225 385313358 /nfs/dbraw/zinc/31/33/58/385313358.db2.gz QPMSGGFRNCXDHI-VIFPVBQESA-N 0 0 213.346 2.355 10 0 BEAERN Nc1ccn(C[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000575601713 385265714 /nfs/dbraw/zinc/26/57/14/385265714.db2.gz HBOAIDVJJSAYHY-NWDGAFQWSA-N 0 0 213.284 2.099 10 0 BEAERN CC(=O)Nc1cccc2c1CCCC2=O ZINC000034319815 385278340 /nfs/dbraw/zinc/27/83/40/385278340.db2.gz AIBMIHNVFIGOBM-UHFFFAOYSA-N 0 0 203.241 2.164 10 0 BEAERN Cn1cc([C@H]2C[C@@H]2c2nc(C(C)(C)C)no2)cn1 ZINC000363511147 385284814 /nfs/dbraw/zinc/28/48/14/385284814.db2.gz HDPWGHZOYVFAHQ-ZJUUUORDSA-N 0 0 246.314 2.372 10 0 BEAERN C[C@H]1Nc2cc(Br)ccc2NC1=O ZINC000034639075 385287039 /nfs/dbraw/zinc/28/70/39/385287039.db2.gz KQOZIRPRQSCXKZ-RXMQYKEDSA-N 0 0 241.088 2.202 10 0 BEAERN CC1(C)COC(c2ccnc(Cl)c2)=N1 ZINC000034594975 385288096 /nfs/dbraw/zinc/28/80/96/385288096.db2.gz CIWWXMZMCSRPNA-UHFFFAOYSA-N 0 0 210.664 2.290 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1c1nc2ccccc2o1 ZINC000294880552 385288199 /nfs/dbraw/zinc/28/81/99/385288199.db2.gz BWZHUDNLBKQBBR-KOLCDFICSA-N 0 0 232.283 2.177 10 0 BEAERN Cc1cnc([C@@H](C)N[C@H]2COC(C)(C)C2)o1 ZINC000335353261 385296336 /nfs/dbraw/zinc/29/63/36/385296336.db2.gz CLOVLMKAZYNAIX-NXEZZACHSA-N 0 0 224.304 2.201 10 0 BEAERN CCOc1ccc(Cc2cc(=O)[nH]cn2)cc1 ZINC000409430912 385328703 /nfs/dbraw/zinc/32/87/03/385328703.db2.gz OAUOFGXWYLYNOR-UHFFFAOYSA-N 0 0 230.267 2.172 10 0 BEAERN Nc1ccc(N2C[C@@H]3CCC(F)(F)[C@H]3C2)nc1 ZINC000409431039 385330400 /nfs/dbraw/zinc/33/04/00/385330400.db2.gz RLWVTZQHEXJTRE-WPRPVWTQSA-N 0 0 239.269 2.145 10 0 BEAERN CC(C)(C)c1cc(Br)c(=O)[nH]n1 ZINC000259358661 385336245 /nfs/dbraw/zinc/33/62/45/385336245.db2.gz GREALIJBUSSMSR-UHFFFAOYSA-N 0 0 231.093 2.242 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCn3ccnc32)[C@H]1C ZINC000178153504 385339684 /nfs/dbraw/zinc/33/96/84/385339684.db2.gz OVPULGGFTWQNDX-GRYCIOLGSA-N 0 0 247.342 2.017 10 0 BEAERN CC(C)[C@@H](O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000154611977 385342114 /nfs/dbraw/zinc/34/21/14/385342114.db2.gz FMRKISBHVCKFQF-NSHDSACASA-N 0 0 243.253 2.310 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(F)c(C)c1 ZINC000131582846 385345202 /nfs/dbraw/zinc/34/52/02/385345202.db2.gz MQEVCJQDKROKOT-SECBINFHSA-N 0 0 226.247 2.322 10 0 BEAERN Cc1cc(CN(C)C(=O)c2ccccc2)on1 ZINC000064555561 385347571 /nfs/dbraw/zinc/34/75/71/385347571.db2.gz POKXYNDUCQLWTO-UHFFFAOYSA-N 0 0 230.267 2.255 10 0 BEAERN CCSCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000158251897 385369414 /nfs/dbraw/zinc/36/94/14/385369414.db2.gz AAKFDNRFQHSTMO-DCAQKATOSA-N 0 0 245.388 2.202 10 0 BEAERN CC(C)[C@H](C)NC(=O)NCCCc1ccccn1 ZINC000179154838 385370984 /nfs/dbraw/zinc/37/09/84/385370984.db2.gz UFLKEWQOPLIFQG-LBPRGKRZSA-N 0 0 249.358 2.358 10 0 BEAERN Cc1nnc(N[C@H](C)c2csc(C)n2)o1 ZINC000309031612 385378960 /nfs/dbraw/zinc/37/89/60/385378960.db2.gz FDCNXIUEWAFVHR-RXMQYKEDSA-N 0 0 224.289 2.316 10 0 BEAERN FCCN[C@@H](Cc1ccccc1)C(F)F ZINC000280908097 385382658 /nfs/dbraw/zinc/38/26/58/385382658.db2.gz CUGXAKFITGVNOG-JTQLQIEISA-N 0 0 217.234 2.422 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(C)cc(F)c1 ZINC000155299502 385386701 /nfs/dbraw/zinc/38/67/01/385386701.db2.gz JDELXZSOZRITFM-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN Cn1c(CSc2ccncc2)nnc1C1CC1 ZINC000178755311 385324756 /nfs/dbraw/zinc/32/47/56/385324756.db2.gz OSJJXJRXYYKFCV-UHFFFAOYSA-N 0 0 246.339 2.380 10 0 BEAERN Cc1cnc(C(=O)NCCC2=CCCC2)cn1 ZINC000131324532 385327469 /nfs/dbraw/zinc/32/74/69/385327469.db2.gz DRSVICMQEIHQNA-UHFFFAOYSA-N 0 0 231.299 2.015 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000180700806 385394130 /nfs/dbraw/zinc/39/41/30/385394130.db2.gz RBHQXFKXSHYXJQ-YFKTTZPYSA-N 0 0 227.348 2.304 10 0 BEAERN Nc1cccc(-c2ccc3ncnc(N)c3c2)c1 ZINC000169237880 385409542 /nfs/dbraw/zinc/40/95/42/385409542.db2.gz XWTUEVWCDCVKJU-UHFFFAOYSA-N 0 0 236.278 2.461 10 0 BEAERN CC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1C ZINC000194012500 385421095 /nfs/dbraw/zinc/42/10/95/385421095.db2.gz XLECEBZQZGZCGK-ZANVPECISA-N 0 0 231.295 2.336 10 0 BEAERN CCOc1cccc(CNC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000170807190 385447153 /nfs/dbraw/zinc/44/71/53/385447153.db2.gz MMPCERSGYNBITP-GWCFXTLKSA-N 0 0 248.326 2.293 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2CC[C@H]2C)n1 ZINC000309152976 385436834 /nfs/dbraw/zinc/43/68/34/385436834.db2.gz WSURVLOUGNTIAL-MUWHJKNJSA-N 0 0 209.268 2.443 10 0 BEAERN Cn1nccc1-c1ccc(O)c(Cl)c1 ZINC000156743724 385467485 /nfs/dbraw/zinc/46/74/85/385467485.db2.gz FDPPEGBHFRISAN-UHFFFAOYSA-N 0 0 208.648 2.446 10 0 BEAERN C[C@@H]1Cc2ccccc2N1C[C@H](O)C(F)(F)F ZINC000109706456 385478266 /nfs/dbraw/zinc/47/82/66/385478266.db2.gz CQCWJMYPQUPMMG-KCJUWKMLSA-N 0 0 245.244 2.361 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCOC2)o1 ZINC000171030450 385463904 /nfs/dbraw/zinc/46/39/04/385463904.db2.gz BYGAZWZXKZMICX-GHMZBOCLSA-N 0 0 237.299 2.192 10 0 BEAERN CCCc1cc(NC(=O)C2CCCC2)n[nH]1 ZINC000109911481 385491453 /nfs/dbraw/zinc/49/14/53/385491453.db2.gz VUULNPCFYPURHL-UHFFFAOYSA-N 0 0 221.304 2.491 10 0 BEAERN COC(=O)c1ccccc1C(=O)C1CC1 ZINC000257823507 385499572 /nfs/dbraw/zinc/49/95/72/385499572.db2.gz DZLCJARLXUZAFA-UHFFFAOYSA-N 0 0 204.225 2.066 10 0 BEAERN COC[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000179902975 385500218 /nfs/dbraw/zinc/50/02/18/385500218.db2.gz SGMRDFUWOXIFAC-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN O=C1CCCN1Cc1coc(Br)c1 ZINC000257823085 385500410 /nfs/dbraw/zinc/50/04/10/385500410.db2.gz BGTFLRRCZNPBTR-UHFFFAOYSA-N 0 0 244.088 2.165 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)ccc1N ZINC000157695771 385516887 /nfs/dbraw/zinc/51/68/87/385516887.db2.gz LWASJRXWJZTWCD-UHFFFAOYSA-N 0 0 203.163 2.490 10 0 BEAERN COc1cc(F)c(F)c(C(C)=O)c1F ZINC000258076361 385533471 /nfs/dbraw/zinc/53/34/71/385533471.db2.gz IKQQWZSQRUUJFN-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN COc1c(CN(C)c2ccccc2)c(C)nn1C ZINC000180413529 385521704 /nfs/dbraw/zinc/52/17/04/385521704.db2.gz PIQIDYIZKLLMOP-UHFFFAOYSA-N 0 0 245.326 2.374 10 0 BEAERN CCCc1cc(NC(=O)CCC2CC2)n[nH]1 ZINC000115378263 385522428 /nfs/dbraw/zinc/52/24/28/385522428.db2.gz NCUREQWGYGINHD-UHFFFAOYSA-N 0 0 221.304 2.491 10 0 BEAERN CC(C)c1ccc2c(N)c(C(N)=O)oc2c1 ZINC000200148982 385574087 /nfs/dbraw/zinc/57/40/87/385574087.db2.gz CLHPNWTYGXXJFV-UHFFFAOYSA-N 0 0 218.256 2.237 10 0 BEAERN C[C@H](CC1CC1)NC(=O)N[C@H]1CCCOCC1 ZINC000183578499 385550391 /nfs/dbraw/zinc/55/03/91/385550391.db2.gz IWDOGLOVNZYVHV-PWSUYJOCSA-N 0 0 240.347 2.043 10 0 BEAERN CC(C)c1cc(C(=O)N[C@@H]2C[C@@H]2C)cc(=O)[nH]1 ZINC000181127120 385563948 /nfs/dbraw/zinc/56/39/48/385563948.db2.gz IJNSATRWDLVCOP-GZMMTYOYSA-N 0 0 234.299 2.049 10 0 BEAERN Cc1csc(N[C@H]2CCCC[C@@H]2O)n1 ZINC000052007185 385603237 /nfs/dbraw/zinc/60/32/37/385603237.db2.gz QVXMYRPKCJJROQ-IUCAKERBSA-N 0 0 212.318 2.167 10 0 BEAERN CCOC(=O)c1c(O)ccc(OC)c1Cl ZINC000259881845 385589361 /nfs/dbraw/zinc/58/93/61/385589361.db2.gz CHVUVEINBODBHO-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CO[C@H](C)CCNc1nc(C)nc(C)c1F ZINC000309486812 385613756 /nfs/dbraw/zinc/61/37/56/385613756.db2.gz VRCHUILVGKVPFG-SSDOTTSWSA-N 0 0 227.283 2.069 10 0 BEAERN COC(=O)C(=O)c1ccc(C)cc1Cl ZINC000259963565 385626515 /nfs/dbraw/zinc/62/65/15/385626515.db2.gz BIYGZEQZEPIFOY-UHFFFAOYSA-N 0 0 212.632 2.004 10 0 BEAERN CCOc1ccccc1CN(C)C(=O)CC ZINC000054586350 385648779 /nfs/dbraw/zinc/64/87/79/385648779.db2.gz APVVALVENOHJPY-UHFFFAOYSA-N 0 0 221.300 2.454 10 0 BEAERN COc1c(F)ccc(C(F)(F)F)c1N ZINC000306940716 385657255 /nfs/dbraw/zinc/65/72/55/385657255.db2.gz PYHNSBROWWZLIC-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@]12CCOC2 ZINC000307139705 385660401 /nfs/dbraw/zinc/66/04/01/385660401.db2.gz AVVAZDLAOZLWRW-GFCCVEGCSA-N 0 0 227.304 2.176 10 0 BEAERN C[C@H]1c2nc[nH]c2CCN1C(=O)OC(C)(C)C ZINC000253570494 385683983 /nfs/dbraw/zinc/68/39/83/385683983.db2.gz NRCVMRHBKHPTTN-QMMMGPOBSA-N 0 0 237.303 2.264 10 0 BEAERN Cc1cnc([C@H](C)NCCOC2CCC2)o1 ZINC000336736358 385738883 /nfs/dbraw/zinc/73/88/83/385738883.db2.gz ITOYZMXXDJWMOL-JTQLQIEISA-N 0 0 224.304 2.203 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ccnnc1 ZINC000616621296 385747824 /nfs/dbraw/zinc/74/78/24/385747824.db2.gz DBYNJANWZRJFJN-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN CCSCCNc1cc(CCOC)ccn1 ZINC000309629302 385752093 /nfs/dbraw/zinc/75/20/93/385752093.db2.gz HGKCWVIQDUWRAG-UHFFFAOYSA-N 0 0 240.372 2.436 10 0 BEAERN C[C@H](CSc1nc(N)n[nH]1)c1ccccc1 ZINC000116610095 385754245 /nfs/dbraw/zinc/75/42/45/385754245.db2.gz PWDTYOSPACBEKL-MRVPVSSYSA-N 0 0 234.328 2.283 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)CCSC ZINC000336655551 385757569 /nfs/dbraw/zinc/75/75/69/385757569.db2.gz OYNRZYJLCAKRRD-RKDXNWHRSA-N 0 0 201.335 2.044 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)CCSC ZINC000336655550 385759070 /nfs/dbraw/zinc/75/90/70/385759070.db2.gz OYNRZYJLCAKRRD-IUCAKERBSA-N 0 0 201.335 2.044 10 0 BEAERN CCc1ccc([C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000040173734 385765426 /nfs/dbraw/zinc/76/54/26/385765426.db2.gz XHLVAVZKZCHDDQ-GFCCVEGCSA-N 0 0 222.309 2.275 10 0 BEAERN CN(CC(F)F)C[C@H](O)C1CCCCC1 ZINC000122799817 385777555 /nfs/dbraw/zinc/77/75/55/385777555.db2.gz FLWJBOAJUSZKKN-JTQLQIEISA-N 0 0 221.291 2.125 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccnc(F)c1F ZINC000231121404 385783939 /nfs/dbraw/zinc/78/39/39/385783939.db2.gz FZRUFYMPTDDGIK-APPZFPTMSA-N 0 0 240.253 2.278 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000052292997 385722705 /nfs/dbraw/zinc/72/27/05/385722705.db2.gz PSZNALWWUSBGFM-RITPCOANSA-N 0 0 244.088 2.180 10 0 BEAERN CC(C)(C)[C@@H](O)CSc1nncs1 ZINC000283211076 385812422 /nfs/dbraw/zinc/81/24/22/385812422.db2.gz ZDEDUHWAEUEYJJ-LURJTMIESA-N 0 0 218.347 2.037 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)Cc1cccc(O)c1 ZINC000231694905 385813573 /nfs/dbraw/zinc/81/35/73/385813573.db2.gz XQUDPVLCQGBWNI-YPMHNXCESA-N 0 0 233.311 2.240 10 0 BEAERN Cc1nsc(N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000271328274 385819383 /nfs/dbraw/zinc/81/93/83/385819383.db2.gz LHJUTWZSLRBTFK-SNVBAGLBSA-N 0 0 249.343 2.301 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCO[C@@H](C)C1 ZINC000413220842 385831430 /nfs/dbraw/zinc/83/14/30/385831430.db2.gz QPLXXQYENCTMQG-WDEREUQCSA-N 0 0 235.331 2.001 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCO[C@H](C)C1 ZINC000413220839 385832575 /nfs/dbraw/zinc/83/25/75/385832575.db2.gz QPLXXQYENCTMQG-GHMZBOCLSA-N 0 0 235.331 2.001 10 0 BEAERN COC(=O)[C@]1(C)CC[C@](C(=O)OC)(C(C)C)C1 ZINC000216077979 385858480 /nfs/dbraw/zinc/85/84/80/385858480.db2.gz DZSWKBZPPVWXQL-CHWSQXEVSA-N 0 0 242.315 2.165 10 0 BEAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cn[nH]c1 ZINC000112670860 385841982 /nfs/dbraw/zinc/84/19/82/385841982.db2.gz WAKIRYCUPWDYAE-RYUDHWBXSA-N 0 0 235.331 2.354 10 0 BEAERN CC[C@H](NC(=O)c1cccc(F)n1)C(C)C ZINC000122978266 385842231 /nfs/dbraw/zinc/84/22/31/385842231.db2.gz SXQMXPIBMKGOBV-VIFPVBQESA-N 0 0 224.279 2.385 10 0 BEAERN Cc1nnc([C@H](C)Nc2ccccn2)s1 ZINC000273552248 385842264 /nfs/dbraw/zinc/84/22/64/385842264.db2.gz ZBSNBCDBDAQKEG-ZETCQYMHSA-N 0 0 220.301 2.415 10 0 BEAERN CCCCCN(CCO)C(=O)N[C@@H](C)C(C)C ZINC000112431604 385842834 /nfs/dbraw/zinc/84/28/34/385842834.db2.gz BKKHXHAIBMHFIU-LBPRGKRZSA-N 0 0 244.379 2.225 10 0 BEAERN COC(=O)c1cc(Cl)cc(OC)c1C ZINC000260237675 385796879 /nfs/dbraw/zinc/79/68/79/385796879.db2.gz XSVOTZDEGZQXMC-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CC(C)C1(c2onc(N)c2Cl)CC1 ZINC000575532519 385884512 /nfs/dbraw/zinc/88/45/12/385884512.db2.gz WEUAOSCWLMOIKV-UHFFFAOYSA-N 0 0 200.669 2.428 10 0 BEAERN OC[C@@H](O)CSCC/C=C\c1ccccc1 ZINC000323556185 385884543 /nfs/dbraw/zinc/88/45/43/385884543.db2.gz HNJFTRORJVYNDU-IBSXUBTNSA-N 0 0 238.352 2.176 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nnc(C(F)F)s1 ZINC000307327208 385901885 /nfs/dbraw/zinc/90/18/85/385901885.db2.gz ISHHLTRTZHKLOD-DMTCNVIQSA-N 0 0 205.233 2.296 10 0 BEAERN COC(=O)c1cc(N)c(C(F)(F)F)cc1F ZINC000260789671 385959972 /nfs/dbraw/zinc/95/99/72/385959972.db2.gz IKSXSHYBAFJDBZ-UHFFFAOYSA-N 0 0 237.152 2.213 10 0 BEAERN CCOC(=O)c1ccc(C(=O)C(C)C)o1 ZINC000261193972 386012718 /nfs/dbraw/zinc/01/27/18/386012718.db2.gz PUCNJSOSZUQXKP-UHFFFAOYSA-N 0 0 210.229 2.295 10 0 BEAERN COC(=O)c1nc(C)ccc1C(F)(F)F ZINC000261258438 386017166 /nfs/dbraw/zinc/01/71/66/386017166.db2.gz DEWVVNFCOOFVPE-UHFFFAOYSA-N 0 0 219.162 2.195 10 0 BEAERN Cn1ccc(CSc2ccccc2O)n1 ZINC000124328873 386021753 /nfs/dbraw/zinc/02/17/53/386021753.db2.gz OYHIGRYRXAZUBU-UHFFFAOYSA-N 0 0 220.297 2.418 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1CO)C1CCC1 ZINC000457666241 386032076 /nfs/dbraw/zinc/03/20/76/386032076.db2.gz UYKFPSJLXDLVRU-WCFLWFBJSA-N 0 0 239.359 2.090 10 0 BEAERN CCC(C)(C)Nc1ccc(Br)nn1 ZINC000575563975 386054625 /nfs/dbraw/zinc/05/46/25/386054625.db2.gz XXBYFWYTLGEYRD-UHFFFAOYSA-N 0 0 244.136 2.262 10 0 BEAERN O=Cc1nnc([C@@H]2CCCCS2)s1 ZINC000575568388 386101635 /nfs/dbraw/zinc/10/16/35/386101635.db2.gz DJNQGMCITFJJGA-LURJTMIESA-N 0 0 214.315 2.309 10 0 BEAERN CC[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037998953 386108752 /nfs/dbraw/zinc/10/87/52/386108752.db2.gz BBNSXXWUWJDDJK-VIFPVBQESA-N 0 0 201.216 2.383 10 0 BEAERN CSCC(=O)Nc1ccc(N)cc1Cl ZINC000038063557 386116978 /nfs/dbraw/zinc/11/69/78/386116978.db2.gz VOJRGQOPMKNRGF-UHFFFAOYSA-N 0 0 230.720 2.224 10 0 BEAERN Cn1cccc1C(=O)CN1C[C@@H]2CCCCC[C@H]21 ZINC000366100294 386080638 /nfs/dbraw/zinc/08/06/38/386080638.db2.gz YEECOEKJVDVLDL-QWHCGFSZSA-N 0 0 246.354 2.472 10 0 BEAERN CCCc1nnc(N[C@@H]2CCSC2)s1 ZINC000307360892 386171030 /nfs/dbraw/zinc/17/10/30/386171030.db2.gz GRWQGPWVUHVWLY-SSDOTTSWSA-N 0 0 229.374 2.408 10 0 BEAERN Nc1scnc1-c1cncc(Cl)c1 ZINC000575576747 386190825 /nfs/dbraw/zinc/19/08/25/386190825.db2.gz NRYVORJGXBCCJY-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cc1oc2ncnc(NC(=O)C(C)C)c2c1C ZINC000118200040 386175373 /nfs/dbraw/zinc/17/53/73/386175373.db2.gz VFZRFXJCNIBLTI-UHFFFAOYSA-N 0 0 233.271 2.434 10 0 BEAERN CCOC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000106931639 386206388 /nfs/dbraw/zinc/20/63/88/386206388.db2.gz PJGRLHKICHVEIJ-NEPJUHHUSA-N 0 0 220.268 2.362 10 0 BEAERN CC1(C)C[C@@]1(C)c1onc(N)c1Cl ZINC000575581930 386240329 /nfs/dbraw/zinc/24/03/29/386240329.db2.gz ALTKQGVXQODLGW-VIFPVBQESA-N 0 0 200.669 2.428 10 0 BEAERN C[C@@H]1C[C@H]1Nc1nnc(C(F)F)s1 ZINC000306863426 386250653 /nfs/dbraw/zinc/25/06/53/386250653.db2.gz ISHHLTRTZHKLOD-QWWZWVQMSA-N 0 0 205.233 2.296 10 0 BEAERN c1cnc(N[C@H]2COc3ccccc32)nc1 ZINC000058545175 386317591 /nfs/dbraw/zinc/31/75/91/386317591.db2.gz BLXHBZUYIWEZHB-JTQLQIEISA-N 0 0 213.240 2.022 10 0 BEAERN Cc1nc(-c2c[nH]c(=S)[nH]2)sc1C ZINC000575585255 386277831 /nfs/dbraw/zinc/27/78/31/386277831.db2.gz AYOMWYFETKBGGW-UHFFFAOYSA-N 0 0 211.315 2.439 10 0 BEAERN C[C@H]1C[C@@]1(C)Nc1nsnc1Cl ZINC000575592356 386348785 /nfs/dbraw/zinc/34/87/85/386348785.db2.gz ULSZMQPDHGWJJJ-MHTLYPKNSA-N 0 0 203.698 2.402 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521401074 386449932 /nfs/dbraw/zinc/44/99/32/386449932.db2.gz FNWCANIMLRXFTH-FXQIFTODSA-N 0 0 241.253 2.403 10 0 BEAERN O[C@H](Cc1nccs1)C1CC(F)(F)C1 ZINC000307235795 386450411 /nfs/dbraw/zinc/45/04/11/386450411.db2.gz FTASPDNWOIOCRX-SSDOTTSWSA-N 0 0 219.256 2.092 10 0 BEAERN C[C@@H](CC(=O)[O-])C[C@H]([NH3+])CC(C)(C)C ZINC000521401080 386451050 /nfs/dbraw/zinc/45/10/50/386451050.db2.gz FOYDOCVSZJRLLO-BDAKNGLRSA-N 0 0 201.310 2.251 10 0 BEAERN CCc1nc(CN2C[C@H](O)CC[C@H]2C)cs1 ZINC000399271565 386475271 /nfs/dbraw/zinc/47/52/71/386475271.db2.gz WVPBICICIBJMST-MWLCHTKSSA-N 0 0 240.372 2.051 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)CCC(C)(C)C ZINC000399279721 386478270 /nfs/dbraw/zinc/47/82/70/386478270.db2.gz ZHMGNZAAZUAXTD-WDEREUQCSA-N 0 0 227.348 2.185 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@H](O)CC[C@@H]2C)c1 ZINC000399280442 386478468 /nfs/dbraw/zinc/47/84/68/386478468.db2.gz YEKXFGDEMSBHFA-WCQYABFASA-N 0 0 248.326 2.372 10 0 BEAERN COc1nnc(Cl)cc1C(F)(F)F ZINC000238438110 386482776 /nfs/dbraw/zinc/48/27/76/386482776.db2.gz LITNBBZLCLZEMR-UHFFFAOYSA-N 0 0 212.558 2.157 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1c1ncnc2sccc21 ZINC000399319909 386501017 /nfs/dbraw/zinc/50/10/17/386501017.db2.gz HWHAKLUZXAOGAA-DTWKUNHWSA-N 0 0 249.339 2.041 10 0 BEAERN Clc1ncc2[nH]c(Br)cc2n1 ZINC000238571612 386505107 /nfs/dbraw/zinc/50/51/07/386505107.db2.gz LRDHTGWMSYWTST-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@@H]3CCC[C@@H]32)n1 ZINC000335443799 386507744 /nfs/dbraw/zinc/50/77/44/386507744.db2.gz CBLSEIDWCRNRQO-UWVGGRQHSA-N 0 0 221.279 2.221 10 0 BEAERN Cc1cc(C)cc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399209894 386455721 /nfs/dbraw/zinc/45/57/21/386455721.db2.gz FNVNWJNTIOOAEP-JSGCOSHPSA-N 0 0 247.338 2.289 10 0 BEAERN CC(=O)c1cc2c(cc1O)OC(=O)CC2(C)C ZINC000521401657 386460466 /nfs/dbraw/zinc/46/04/66/386460466.db2.gz LXLYRQPFALBZCD-UHFFFAOYSA-N 0 0 234.251 2.182 10 0 BEAERN N#CCc1cc(OC(F)F)c(C=O)cc1C#N ZINC000575641638 386576627 /nfs/dbraw/zinc/57/66/27/386576627.db2.gz WTHHTAKBTFURCC-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1cc(C#N)c(C(C)=O)cc1OC ZINC000575644015 386583396 /nfs/dbraw/zinc/58/33/96/386583396.db2.gz ACYKEAZCQMFEAL-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(CO)c(CC)cc1C#N ZINC000575644550 386585368 /nfs/dbraw/zinc/58/53/68/386585368.db2.gz YPBCLTSZBYBGGY-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CN(c1cc(Cl)nc(Cl)n1)[C@@H]1CCOC1 ZINC000306895541 386533033 /nfs/dbraw/zinc/53/30/33/386533033.db2.gz NAVFVAQKMGIAKA-ZCFIWIBFSA-N 0 0 248.113 2.009 10 0 BEAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccco1 ZINC000267384750 386537823 /nfs/dbraw/zinc/53/78/23/386537823.db2.gz HKIDOSGWBJAHCB-PWSUYJOCSA-N 0 0 237.299 2.071 10 0 BEAERN CCOc1cc(C#N)c(OC(F)F)cc1CO ZINC000575638008 386551501 /nfs/dbraw/zinc/55/15/01/386551501.db2.gz CIRFMVSNMJGRSY-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN CSCCCC(=O)Nc1nocc1C ZINC000123363070 386552951 /nfs/dbraw/zinc/55/29/51/386552951.db2.gz AKCVAUDBUDSWKM-UHFFFAOYSA-N 0 0 214.290 2.065 10 0 BEAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC1 ZINC000111899101 386599050 /nfs/dbraw/zinc/59/90/50/386599050.db2.gz VOAKMRWWQIMSCB-MFKMUULPSA-N 0 0 230.311 2.335 10 0 BEAERN CCOc1cc(OC)cc(OCC)c1C#N ZINC000575639125 386561838 /nfs/dbraw/zinc/56/18/38/386561838.db2.gz WVTVKZPEXMNYBA-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN CC(C)C(C)(C)CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000187645742 386566537 /nfs/dbraw/zinc/56/65/37/386566537.db2.gz XXQNSYVSHNZFEK-MNOVXSKESA-N 0 0 227.348 2.352 10 0 BEAERN COc1c(C#N)cc(OC(F)F)cc1C(C)=O ZINC000575640156 386568481 /nfs/dbraw/zinc/56/84/81/386568481.db2.gz LHQGZFJRMKBTKO-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN Cc1nsc(N[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000307254107 386599611 /nfs/dbraw/zinc/59/96/11/386599611.db2.gz WWMLQYHXTFUIOV-YIZRAAEISA-N 0 0 209.318 2.447 10 0 BEAERN Cc1cc(C2N=NC(=S)O2)ccc1F ZINC000063057509 386659019 /nfs/dbraw/zinc/65/90/19/386659019.db2.gz WHPFJQMSXLEHBH-UHFFFAOYSA-N 0 0 210.233 2.473 10 0 BEAERN Cc1ccc(O)c(C(=O)NCc2cscn2)c1 ZINC000050408441 386675609 /nfs/dbraw/zinc/67/56/09/386675609.db2.gz GKTLZEIKBLUPAL-UHFFFAOYSA-N 0 0 248.307 2.087 10 0 BEAERN COc1cc(Br)c2ncncc2c1 ZINC000306923101 386710964 /nfs/dbraw/zinc/71/09/64/386710964.db2.gz YNITZHDMJVFTRM-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN O=c1cc[nH]c2cc(Br)c(F)cc12 ZINC000215508982 386686951 /nfs/dbraw/zinc/68/69/51/386686951.db2.gz LGHGEBHGAOEYHA-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN Cc1nccc(NC(C)(C)COC(C)C)n1 ZINC000396390895 386735539 /nfs/dbraw/zinc/73/55/39/386735539.db2.gz SHAJYKJKRXGMQZ-UHFFFAOYSA-N 0 0 223.320 2.401 10 0 BEAERN COC(=O)CCCC(=O)c1cccc(N(C)C)c1 ZINC000575358136 386735620 /nfs/dbraw/zinc/73/56/20/386735620.db2.gz DLNCKCFFYYQLOY-UHFFFAOYSA-N 0 0 249.310 2.279 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1cccc(N(C)C)c1 ZINC000575358298 386752029 /nfs/dbraw/zinc/75/20/29/386752029.db2.gz QMXZSYVXCDTXHT-UHFFFAOYSA-N 0 0 249.310 2.277 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1cc(F)ccc1F ZINC000575361792 386763611 /nfs/dbraw/zinc/76/36/11/386763611.db2.gz IDCGLTKTEGVGCT-UHFFFAOYSA-N 0 0 242.221 2.489 10 0 BEAERN CC1(C)CCCCN(c2ncnc3nc[nH]c32)C1 ZINC000408444988 386794238 /nfs/dbraw/zinc/79/42/38/386794238.db2.gz VYOBKNZJBJPCNE-UHFFFAOYSA-N 0 0 245.330 2.369 10 0 BEAERN O=C(CC1CCC1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334756862 386817610 /nfs/dbraw/zinc/81/76/10/386817610.db2.gz VNOAEPOUQBFBNB-OLZOCXBDSA-N 0 0 249.354 2.204 10 0 BEAERN COC(=O)Cc1ccc(OC(F)(F)F)nc1C ZINC000575375194 386799269 /nfs/dbraw/zinc/79/92/69/386799269.db2.gz WRPXYORMDAMYTN-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cnc(C)cc1OC(F)(F)F ZINC000575374951 386799538 /nfs/dbraw/zinc/79/95/38/386799538.db2.gz BGMZMHZWCVYLFB-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN O=C(c1cccc(Cl)c1)N1CCCO1 ZINC000125343600 386800374 /nfs/dbraw/zinc/80/03/74/386800374.db2.gz UZINMLKHISLOLF-UHFFFAOYSA-N 0 0 211.648 2.118 10 0 BEAERN CSc1ccc(NCC2CCC2)nn1 ZINC000301231750 386825564 /nfs/dbraw/zinc/82/55/64/386825564.db2.gz AYIZMJNWBCPJIF-UHFFFAOYSA-N 0 0 209.318 2.411 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1ncccc1C(=O)NC ZINC000301462175 386844335 /nfs/dbraw/zinc/84/43/35/386844335.db2.gz VAIGLAZHVXYOOB-MWLCHTKSSA-N 0 0 233.315 2.042 10 0 BEAERN CCO[C@H](C)c1noc(CN2CC[C@H]2CC)n1 ZINC000330286515 386844992 /nfs/dbraw/zinc/84/49/92/386844992.db2.gz ZXYOBJNHQZBKEK-NXEZZACHSA-N 0 0 239.319 2.151 10 0 BEAERN CCO[C@@H](C)c1noc(CN2CC[C@@H]2CC)n1 ZINC000330286516 386845464 /nfs/dbraw/zinc/84/54/64/386845464.db2.gz ZXYOBJNHQZBKEK-UWVGGRQHSA-N 0 0 239.319 2.151 10 0 BEAERN FC(F)n1ccnc1CN1C[C@@H]2CCC[C@@H]21 ZINC000334789595 386854757 /nfs/dbraw/zinc/85/47/57/386854757.db2.gz ZIGSTZUYNMIMDE-IUCAKERBSA-N 0 0 227.258 2.263 10 0 BEAERN C[C@H](Nc1nccc(N(C)C)n1)c1ccco1 ZINC000301737492 386873665 /nfs/dbraw/zinc/87/36/65/386873665.db2.gz RWDDQWOLLFNZHX-VIFPVBQESA-N 0 0 232.287 2.309 10 0 BEAERN O=C(NC1CCCC1)N1C[C@H]2CCC[C@H]21 ZINC000334834317 386874087 /nfs/dbraw/zinc/87/40/87/386874087.db2.gz MSOGYLFUVCKZDA-MWLCHTKSSA-N 0 0 208.305 2.123 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)cc(Cl)n1 ZINC000125790195 386916797 /nfs/dbraw/zinc/91/67/97/386916797.db2.gz PWMBTFXTXMFJOI-MUWHJKNJSA-N 0 0 224.691 2.182 10 0 BEAERN CC(C)(C)c1noc([C@@H]2CCNCC2(F)F)n1 ZINC000334818374 386944624 /nfs/dbraw/zinc/94/46/24/386944624.db2.gz KUUUMFDUIRURBO-ZETCQYMHSA-N 0 0 245.273 2.079 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)C1=CCCCCC1 ZINC000334901171 386974043 /nfs/dbraw/zinc/97/40/43/386974043.db2.gz UVUSPBAVSATIKM-WCQYABFASA-N 0 0 237.343 2.249 10 0 BEAERN O=C1CC[C@@H](c2ccc(Cl)cc2)CN1 ZINC000057496077 386998356 /nfs/dbraw/zinc/99/83/56/386998356.db2.gz PMIWQYDBCMPDAS-SECBINFHSA-N 0 0 209.676 2.334 10 0 BEAERN Nc1cc(Cl)c(CO)cc1Br ZINC000575419791 387031265 /nfs/dbraw/zinc/03/12/65/387031265.db2.gz UDGGNEDYMFSLEJ-UHFFFAOYSA-N 0 0 236.496 2.177 10 0 BEAERN Cc1nn(C(C)(C)C)c(=O)n1[C@@H]1CC[C@H](C)C1 ZINC000334955411 387034671 /nfs/dbraw/zinc/03/46/71/387034671.db2.gz GYQRABUUQPZPTN-GXSJLCMTSA-N 0 0 237.347 2.469 10 0 BEAERN CCOc1c(F)ccc(CO)c1OC(F)F ZINC000575655576 387039337 /nfs/dbraw/zinc/03/93/37/387039337.db2.gz KUZSBQAHAGZLKJ-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1cc(OC(F)F)c(F)cc1CO ZINC000575655912 387039933 /nfs/dbraw/zinc/03/99/33/387039933.db2.gz NKVKUHOHLRECFV-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1cc(OC)c(OC(F)F)cc1CO ZINC000575656617 387042314 /nfs/dbraw/zinc/04/23/14/387042314.db2.gz GSXFWPUFAWPFMU-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1cc(C)c(CO)c(OC(F)F)c1 ZINC000575657657 387042495 /nfs/dbraw/zinc/04/24/95/387042495.db2.gz PPYWVNGFILBZAS-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN c1ccc2c(c1)OC[C@H]2NCc1ccncc1 ZINC000070070263 387043321 /nfs/dbraw/zinc/04/33/21/387043321.db2.gz UGMVEBWJJCEFIS-CYBMUJFWSA-N 0 0 226.279 2.305 10 0 BEAERN CCOc1ccc(OC(F)F)c(CO)c1OC ZINC000575656967 387043594 /nfs/dbraw/zinc/04/35/94/387043594.db2.gz IZRVOJAZWUEAAB-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1c(F)cc(OC(F)F)cc1CO ZINC000575657845 387044231 /nfs/dbraw/zinc/04/42/31/387044231.db2.gz ZUDMUONPHVXJIK-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1cc(OC(F)F)cc(OC)c1CO ZINC000575657680 387044263 /nfs/dbraw/zinc/04/42/63/387044263.db2.gz NTZARAYNRULLIO-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1cc(OC(F)F)cc(CO)c1C ZINC000575659057 387049667 /nfs/dbraw/zinc/04/96/67/387049667.db2.gz YSKNCFSLFDZXEJ-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2ccccc2N)C1 ZINC000126696959 387051487 /nfs/dbraw/zinc/05/14/87/387051487.db2.gz RXDUQACBACWUSU-NSHDSACASA-N 0 0 232.327 2.387 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@H](O)[C@H]1C)C(C)(C)C ZINC000399077085 387053822 /nfs/dbraw/zinc/05/38/22/387053822.db2.gz QSABNEYIYXJSTR-AXFHLTTASA-N 0 0 227.348 2.040 10 0 BEAERN C[C@@]1(c2nc([C@@H]3CC34CC4)no2)CCCOC1 ZINC000334971737 387056419 /nfs/dbraw/zinc/05/64/19/387056419.db2.gz XXMGAYALNFREBD-JOYOIKCWSA-N 0 0 234.299 2.405 10 0 BEAERN O=Cc1ccc2ccn(C3COC3)c2c1 ZINC000575434392 387058283 /nfs/dbraw/zinc/05/82/83/387058283.db2.gz UGDIPOVURMHHHZ-UHFFFAOYSA-N 0 0 201.225 2.025 10 0 BEAERN Cc1cc(-c2cncs2)nc(=S)[nH]1 ZINC000575582905 387059719 /nfs/dbraw/zinc/05/97/19/387059719.db2.gz UCDOQIHXSUSMIY-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN Cc1c(CO)cc(F)cc1OC(F)F ZINC000575661415 387060397 /nfs/dbraw/zinc/06/03/97/387060397.db2.gz PANFKJTWSMTFNR-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Cc1cc(CO)cc(F)c1OC(F)F ZINC000575661115 387063109 /nfs/dbraw/zinc/06/31/09/387063109.db2.gz JHXOVSRHOYCPPR-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COc1cc(OC(F)F)cc(C=O)c1C(C)=O ZINC000575661181 387063989 /nfs/dbraw/zinc/06/39/89/387063989.db2.gz GYVVCKPPSBMWHP-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN C[C@@](N)(c1cccs1)c1ccns1 ZINC000575576222 387022250 /nfs/dbraw/zinc/02/22/50/387022250.db2.gz LJQKFCHIJNUIIS-SECBINFHSA-N 0 0 210.327 2.427 10 0 BEAERN Cc1c2c(cc(Br)c1F)CC(=O)N2 ZINC000575576679 387025912 /nfs/dbraw/zinc/02/59/12/387025912.db2.gz AFOFGDKUILEETD-UHFFFAOYSA-N 0 0 244.063 2.391 10 0 BEAERN O=C1COC[C@@H]1c1ccc(Br)cc1 ZINC000575456400 387027660 /nfs/dbraw/zinc/02/76/60/387027660.db2.gz JOIPJNWYYHQMEH-SECBINFHSA-N 0 0 241.084 2.132 10 0 BEAERN CC(C)c1ncc(Br)n1C ZINC000202456353 387027709 /nfs/dbraw/zinc/02/77/09/387027709.db2.gz JYNYCZMDFGQQLY-UHFFFAOYSA-N 0 0 203.083 2.306 10 0 BEAERN C[C@H](CO)CSC[C@H]1Cc2ccccc2O1 ZINC000085537687 387070579 /nfs/dbraw/zinc/07/05/79/387070579.db2.gz PVZHVPHCAHKUBE-ZYHUDNBSSA-N 0 0 238.352 2.352 10 0 BEAERN C[C@@H]1C[C@@]1(C)c1nc(Br)no1 ZINC000575467669 387076237 /nfs/dbraw/zinc/07/62/37/387076237.db2.gz ZIJGJENGGXACEC-CLZZGJSISA-N 0 0 217.066 2.130 10 0 BEAERN Cc1ccc([C@H](C)N[C@H](C)c2nnc(C)[nH]2)o1 ZINC000392423361 387079447 /nfs/dbraw/zinc/07/94/47/387079447.db2.gz SMTYFGXPQGALAR-DTWKUNHWSA-N 0 0 234.303 2.426 10 0 BEAERN CC(C)c1noc(CCCNc2cnccn2)n1 ZINC000112077070 387098692 /nfs/dbraw/zinc/09/86/92/387098692.db2.gz VAPKYQXZLVQKFY-UHFFFAOYSA-N 0 0 247.302 2.028 10 0 BEAERN C[C@@]1(c2ccc(Br)o2)CC(=O)CO1 ZINC000575472537 387105593 /nfs/dbraw/zinc/10/55/93/387105593.db2.gz YCXPKMWMVCJCCU-VIFPVBQESA-N 0 0 245.072 2.247 10 0 BEAERN Cc1noc(C)c1C(=O)N[C@@H](C)CC1CC1 ZINC000112605696 387106471 /nfs/dbraw/zinc/10/64/71/387106471.db2.gz XBICXYNBOUSMSD-ZETCQYMHSA-N 0 0 222.288 2.210 10 0 BEAERN Nc1ncc(-c2ccncc2Cl)s1 ZINC000575471879 387110384 /nfs/dbraw/zinc/11/03/84/387110384.db2.gz SUPRDYWGAZRTFR-UHFFFAOYSA-N 0 0 211.677 2.271 10 0 BEAERN Cc1c(F)cc(CO)cc1OC(F)F ZINC000575661705 387112186 /nfs/dbraw/zinc/11/21/86/387112186.db2.gz USJUVIOGCTVHRQ-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CCc1nc(-c2nc(Cl)n[nH]2)cs1 ZINC000575585294 387141744 /nfs/dbraw/zinc/14/17/44/387141744.db2.gz KGDRVDAPGNSOSG-UHFFFAOYSA-N 0 0 214.681 2.144 10 0 BEAERN C[C@H](CF)Nc1ncc(Br)cc1N ZINC000575584897 387143821 /nfs/dbraw/zinc/14/38/21/387143821.db2.gz YNVAFRQCDPBADJ-RXMQYKEDSA-N 0 0 248.099 2.196 10 0 BEAERN Cc1cn(C2(C(F)F)CC2)c(=S)[nH]1 ZINC000575586361 387144855 /nfs/dbraw/zinc/14/48/55/387144855.db2.gz YSDIIPZZUXLFSD-UHFFFAOYSA-N 0 0 204.245 2.234 10 0 BEAERN Nc1c(Cl)cccc1NC1CSC1 ZINC000575586337 387145416 /nfs/dbraw/zinc/14/54/16/387145416.db2.gz YGSBGKRATLYYJK-UHFFFAOYSA-N 0 0 214.721 2.450 10 0 BEAERN COc1ccc(C2(CO)CCCC2)cc1 ZINC000034061665 387150260 /nfs/dbraw/zinc/15/02/60/387150260.db2.gz AGYHMTRUWHLHCI-UHFFFAOYSA-N 0 0 206.285 2.499 10 0 BEAERN CC(C)c1nnc(CN2CCCC3(CC3)C2)n1C ZINC000186955275 387156118 /nfs/dbraw/zinc/15/61/18/387156118.db2.gz FAOGUEGCFGKHMN-UHFFFAOYSA-N 0 0 248.374 2.315 10 0 BEAERN O=C1CCCCN1c1ccc(F)c(F)c1 ZINC000536949542 387160629 /nfs/dbraw/zinc/16/06/29/387160629.db2.gz ATFJRWREJQSEKY-UHFFFAOYSA-N 0 0 211.211 2.482 10 0 BEAERN CC[S@@](C)(=O)=Nc1cnn(C(C)(C)C)c1 ZINC000536950522 387162678 /nfs/dbraw/zinc/16/26/78/387162678.db2.gz IWYNOFOXSYWWEG-OAHLLOKOSA-N 0 0 229.349 2.387 10 0 BEAERN C[C@H]1CC[C@H]1Nc1cnn(C)c1Br ZINC000575478608 387162768 /nfs/dbraw/zinc/16/27/68/387162768.db2.gz IJKHZZGYMWHJJY-NKWVEPMBSA-N 0 0 244.136 2.393 10 0 BEAERN C[C@H]1CC[C@@H]1Nc1cnn(C)c1Br ZINC000575478607 387162839 /nfs/dbraw/zinc/16/28/39/387162839.db2.gz IJKHZZGYMWHJJY-BQBZGAKWSA-N 0 0 244.136 2.393 10 0 BEAERN CC(F)(F)c1noc(CC2(O)CCCCC2)n1 ZINC000536953051 387164819 /nfs/dbraw/zinc/16/48/19/387164819.db2.gz FEKVVQNYHBFWSC-UHFFFAOYSA-N 0 0 246.257 2.419 10 0 BEAERN CC[C@@H](C)Nc1cnn(C)c1Br ZINC000575478508 387165356 /nfs/dbraw/zinc/16/53/56/387165356.db2.gz HHDQOTQDOMUMCZ-ZCFIWIBFSA-N 0 0 232.125 2.393 10 0 BEAERN COc1cccc([C@@H]2CNC(=O)C23CCCC3)c1 ZINC000536952504 387165550 /nfs/dbraw/zinc/16/55/50/387165550.db2.gz DNOBLHOTBFGWDK-ZDUSSCGKSA-N 0 0 245.322 2.469 10 0 BEAERN O=C1NC[C@H](c2cccc(O)c2)C12CCCC2 ZINC000536954590 387168472 /nfs/dbraw/zinc/16/84/72/387168472.db2.gz QPTUPJBBIFOJKE-GFCCVEGCSA-N 0 0 231.295 2.166 10 0 BEAERN CC1CCC(O)(Cc2nc(C3CC3)no2)CC1 ZINC000536955915 387168991 /nfs/dbraw/zinc/16/89/91/387168991.db2.gz SROXPIGSQQJPLI-UHFFFAOYSA-N 0 0 236.315 2.431 10 0 BEAERN CC(F)(F)CNc1nsnc1Cl ZINC000575480164 387169244 /nfs/dbraw/zinc/16/92/44/387169244.db2.gz KCBPIONCSXLAHD-UHFFFAOYSA-N 0 0 213.640 2.259 10 0 BEAERN CCC(CC)n1ncc(Br)n1 ZINC000536957056 387170409 /nfs/dbraw/zinc/17/04/09/387170409.db2.gz BXTVARMWEBJOJT-UHFFFAOYSA-N 0 0 218.098 2.402 10 0 BEAERN Brc1cnn(C2CCCC2)n1 ZINC000536957922 387171487 /nfs/dbraw/zinc/17/14/87/387171487.db2.gz IKEWONYTNWDSND-UHFFFAOYSA-N 0 0 216.082 2.156 10 0 BEAERN CC[C@H](C)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000536957841 387171894 /nfs/dbraw/zinc/17/18/94/387171894.db2.gz HMWLFBIYEFOXTP-JOYOIKCWSA-N 0 0 237.347 2.198 10 0 BEAERN CCc1oc(C(=O)NCC(C)(C)OC)cc1C ZINC000120012133 387176303 /nfs/dbraw/zinc/17/63/03/387176303.db2.gz IUFRTAWUXVVXLX-UHFFFAOYSA-N 0 0 239.315 2.305 10 0 BEAERN C[C@H](F)CCn1ccc(=O)cc1Cl ZINC000306493003 387217013 /nfs/dbraw/zinc/21/70/13/387217013.db2.gz YJJCELAXTXOUBJ-ZETCQYMHSA-N 0 0 203.644 2.250 10 0 BEAERN C[C@@H](F)CCn1ccc(=O)cc1Cl ZINC000306493002 387217785 /nfs/dbraw/zinc/21/77/85/387217785.db2.gz YJJCELAXTXOUBJ-SSDOTTSWSA-N 0 0 203.644 2.250 10 0 BEAERN CS[C@H]1CC[C@@H]1n1cc[nH]c1=S ZINC000575592765 387219443 /nfs/dbraw/zinc/21/94/43/387219443.db2.gz KONHIGHSTDRBMP-BQBZGAKWSA-N 0 0 200.332 2.238 10 0 BEAERN C[C@H](N(C)C(=O)[C@@H]1CC[C@@H](C)O1)C1(C)CC1 ZINC000120378595 387235013 /nfs/dbraw/zinc/23/50/13/387235013.db2.gz HXAWTWBTJQNNEI-VWYCJHECSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@H](O)C1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000230173350 387239788 /nfs/dbraw/zinc/23/97/88/387239788.db2.gz SJVHXBUUZSBXMH-GMXVVIOVSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N(C)CC1(O)CCCC1 ZINC000230175463 387239927 /nfs/dbraw/zinc/23/99/27/387239927.db2.gz HCLRDAYPSXRWOC-VXGBXAGGSA-N 0 0 239.359 2.186 10 0 BEAERN CC[C@](C)(CCO)NC(=O)[C@H]1CCC[C@@H]1C ZINC000230176663 387240127 /nfs/dbraw/zinc/24/01/27/387240127.db2.gz CKLUYKBKBYFSIU-GMXVVIOVSA-N 0 0 227.348 2.090 10 0 BEAERN COc1cc(OC(F)F)c(O)c(C(C)=O)c1 ZINC000575662613 387197973 /nfs/dbraw/zinc/19/79/73/387197973.db2.gz DACPRHHAUYSFDR-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1cc(C)c(OC(F)F)c(CO)c1 ZINC000575664826 387312076 /nfs/dbraw/zinc/31/20/76/387312076.db2.gz LLBIRSWHMQVYHV-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN Cc1ccc([C@@H](C)NCc2c(C)cnn2C)o1 ZINC000285324734 387257298 /nfs/dbraw/zinc/25/72/98/387257298.db2.gz BIKFNMKQEJFZFE-LLVKDONJSA-N 0 0 233.315 2.481 10 0 BEAERN C[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000424738507 387264011 /nfs/dbraw/zinc/26/40/11/387264011.db2.gz MTQHBZZLSLWWTE-FRRDWIJNSA-N 0 0 239.359 2.044 10 0 BEAERN COc1cc(C(C)=O)c(O)cc1OC(F)F ZINC000575663117 387270617 /nfs/dbraw/zinc/27/06/17/387270617.db2.gz QFAFZHGULOKNJY-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN Cc1nc(Cl)nc(NC(C)(C)C)n1 ZINC000575494523 387278157 /nfs/dbraw/zinc/27/81/57/387278157.db2.gz ZWWCJZUSPAJWSW-UHFFFAOYSA-N 0 0 200.673 2.044 10 0 BEAERN COc1cc(C)c(OC(F)F)cc1CO ZINC000575664449 387291600 /nfs/dbraw/zinc/29/16/00/387291600.db2.gz FSFCAXRCMWYYKZ-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN Cc1cnc([C@@H](C)NCCOCC2CCC2)o1 ZINC000360503508 387300797 /nfs/dbraw/zinc/30/07/97/387300797.db2.gz KQDRXEWUJKSBND-LLVKDONJSA-N 0 0 238.331 2.450 10 0 BEAERN OCc1cc(O)cc(Br)c1Cl ZINC000575676978 387359340 /nfs/dbraw/zinc/35/93/40/387359340.db2.gz YIAXZZBBJJQIAL-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN CC(C)c1cc2c(c(Cl)n1)C(=O)O[C@H]2O ZINC000575601856 387368203 /nfs/dbraw/zinc/36/82/03/387368203.db2.gz OFSDRTFLISRVQK-SECBINFHSA-N 0 0 227.647 2.020 10 0 BEAERN CCOC(OCC)c1ccnn1C(F)(F)F ZINC000575602207 387368576 /nfs/dbraw/zinc/36/85/76/387368576.db2.gz VEZGGGOAWXAUAV-UHFFFAOYSA-N 0 0 238.209 2.431 10 0 BEAERN COC(=O)c1sc(N)cc1C1CCC1 ZINC000575602461 387371398 /nfs/dbraw/zinc/37/13/98/387371398.db2.gz PLBVEJNWRLDJKC-UHFFFAOYSA-N 0 0 211.286 2.384 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)C1CCC(=O)CC1 ZINC000648600016 387372664 /nfs/dbraw/zinc/37/26/64/387372664.db2.gz VJXCPPFZEWESKW-CYZMBNFOSA-N 0 0 235.327 2.051 10 0 BEAERN Cc1cc(CO)cc(F)c1Br ZINC000575689395 387377806 /nfs/dbraw/zinc/37/78/06/387377806.db2.gz HXWCBCPUQJUOQC-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Cc1cscc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000267265161 387378581 /nfs/dbraw/zinc/37/85/81/387378581.db2.gz PMILCUBPWYQZRO-NXEZZACHSA-N 0 0 239.340 2.306 10 0 BEAERN COc1c(Br)cc(O)cc1C(C)=O ZINC000575690351 387381590 /nfs/dbraw/zinc/38/15/90/387381590.db2.gz KDSRWOWZQIRBEJ-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CON(C)c1c(N)ccc(F)c1Br ZINC000575511414 387382324 /nfs/dbraw/zinc/38/23/24/387382324.db2.gz SHXZKKDZYHAVJV-UHFFFAOYSA-N 0 0 249.083 2.168 10 0 BEAERN COc1cc(C)cc(C=O)c1OC(F)F ZINC000575666765 387319555 /nfs/dbraw/zinc/31/95/55/387319555.db2.gz ZZCKUAFLROWEKM-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN CCc1cc(C=O)cc(C(F)F)c1CO ZINC000575668800 387326195 /nfs/dbraw/zinc/32/61/95/387326195.db2.gz ULXUIDWZKHMYTL-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCC(CC)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000193150205 387328035 /nfs/dbraw/zinc/32/80/35/387328035.db2.gz CMZDYKWVJIRBRM-VXGBXAGGSA-N 0 0 227.348 2.090 10 0 BEAERN Clc1nsnc1N1CC[C@@H]2C[C@@H]2C1 ZINC000575594607 387329853 /nfs/dbraw/zinc/32/98/53/387329853.db2.gz LZGYTXTZDJFPLE-PHDIDXHHSA-N 0 0 215.709 2.038 10 0 BEAERN COc1cc(CO)cc(C)c1C(F)F ZINC000575670679 387334883 /nfs/dbraw/zinc/33/48/83/387334883.db2.gz JMUKHHUMUBQMAO-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(CO)c(C)cc1C(F)F ZINC000575671187 387337900 /nfs/dbraw/zinc/33/79/00/387337900.db2.gz OTJPLWNRPGJIQF-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(C(F)(F)F)c(OC)cc1O ZINC000575671149 387338346 /nfs/dbraw/zinc/33/83/46/387338346.db2.gz HSXMHVWNAZYULU-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN CC1(C)CCN1Cc1nnc(Cl)s1 ZINC000575596766 387345061 /nfs/dbraw/zinc/34/50/61/387345061.db2.gz VJVATCRQSNLBMA-UHFFFAOYSA-N 0 0 217.725 2.176 10 0 BEAERN CC(=O)c1ncsc1Br ZINC000575500839 387348731 /nfs/dbraw/zinc/34/87/31/387348731.db2.gz OXZOAVFLEVTWDY-UHFFFAOYSA-N 0 0 206.064 2.108 10 0 BEAERN Cn1nc(Br)cc1[C@@H](O)C1CCC1 ZINC000575599239 387351328 /nfs/dbraw/zinc/35/13/28/387351328.db2.gz DCHZAMDNXSPJLD-VIFPVBQESA-N 0 0 245.120 2.016 10 0 BEAERN Brc1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000575599244 387352132 /nfs/dbraw/zinc/35/21/32/387352132.db2.gz DSZZAKKWMWQFSF-FMCRUOTFSA-N 0 0 229.077 2.346 10 0 BEAERN CC(=O)c1c(F)ccc(N)c1OC(F)F ZINC000575715970 387430237 /nfs/dbraw/zinc/43/02/37/387430237.db2.gz BLZKXVFBQSWTSF-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CC(=O)c1cc(F)cc(N)c1OC(F)F ZINC000575716577 387434036 /nfs/dbraw/zinc/43/40/36/387434036.db2.gz SFPUWWMURSMEML-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN Fc1ncc(Cl)c(NCc2ccccc2)n1 ZINC000575518063 387434881 /nfs/dbraw/zinc/43/48/81/387434881.db2.gz JWMXPJYFHHZUJG-UHFFFAOYSA-N 0 0 237.665 2.303 10 0 BEAERN CC(=O)c1c(N)c(C)ccc1OC(F)F ZINC000575717444 387435493 /nfs/dbraw/zinc/43/54/93/387435493.db2.gz PZYPJBZWYANYEF-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1cc(OC(F)F)c(N)cc1C ZINC000575717604 387436113 /nfs/dbraw/zinc/43/61/13/387436113.db2.gz ULKBPDZURIYCPC-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN Cc1cc(O)cc(OC(F)(F)F)c1N ZINC000575727409 387461719 /nfs/dbraw/zinc/46/17/19/387461719.db2.gz DJBHPCXLUAEMMN-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1cc(C(F)(F)F)cc(N)c1C(C)=O ZINC000575717542 387436401 /nfs/dbraw/zinc/43/64/01/387436401.db2.gz WGCQXWSQMPQQMA-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN Nc1cc(N)c(OC(F)F)cc1Cl ZINC000575720243 387441469 /nfs/dbraw/zinc/44/14/69/387441469.db2.gz JFXBHPBZGXQDPR-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN Nc1c(O)ccc(Cl)c1Br ZINC000575720296 387441702 /nfs/dbraw/zinc/44/17/02/387441702.db2.gz UFRIXILCBBQYDT-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN Nc1ccc(Cl)c(OC(F)F)c1O ZINC000575720783 387442525 /nfs/dbraw/zinc/44/25/25/387442525.db2.gz TTWJENZUPKXAJF-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCc1cc(OC(F)F)cc(N)c1N ZINC000575721159 387443478 /nfs/dbraw/zinc/44/34/78/387443478.db2.gz ZSFNCINNJCACKF-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN CCCCN(C)Cc1ncccc1C(=O)OC ZINC000304154894 387443572 /nfs/dbraw/zinc/44/35/72/387443572.db2.gz FAAXYMZJZLGOOQ-UHFFFAOYSA-N 0 0 236.315 2.100 10 0 BEAERN C[C@@H](CO)Nc1cccc(Br)c1F ZINC000575522613 387443567 /nfs/dbraw/zinc/44/35/67/387443567.db2.gz AKZWHFZUQKUFGH-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN CCOc1cc(Br)cc(OC)c1N ZINC000575722125 387445314 /nfs/dbraw/zinc/44/53/14/387445314.db2.gz GDYOLEPEGJVIOR-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOc1cc(OC)cc(Br)c1N ZINC000575723003 387445841 /nfs/dbraw/zinc/44/58/41/387445841.db2.gz QPVBYHGHXYDGGU-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCOc1ccc(O)c(Br)c1N ZINC000575722969 387445864 /nfs/dbraw/zinc/44/58/64/387445864.db2.gz QBYBBMUYCYDZEY-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN Nc1cc(N)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575723143 387446611 /nfs/dbraw/zinc/44/66/11/387446611.db2.gz QAQAXGRFHFXHKI-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN Nc1cc(C(F)F)cc(N)c1OC(F)F ZINC000575723386 387446668 /nfs/dbraw/zinc/44/66/68/387446668.db2.gz SATCTYCEBBENDP-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN CCOC(=O)Cc1cc(N)c(CC)cc1F ZINC000575723980 387447527 /nfs/dbraw/zinc/44/75/27/387447527.db2.gz MXPPFGWYBLDPGS-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)Cc1c(F)cc(N)cc1CC ZINC000575724115 387448053 /nfs/dbraw/zinc/44/80/53/387448053.db2.gz UJRWRQZQNDIFQD-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)c1cc(OC)c(CC)cc1N ZINC000575723921 387448232 /nfs/dbraw/zinc/44/82/32/387448232.db2.gz JKHXFWSWKOOTAL-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)Cc1cc(N)c(CC)cc1C ZINC000575724254 387448859 /nfs/dbraw/zinc/44/88/59/387448859.db2.gz BYPATACXJMMJIH-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160622176 387386915 /nfs/dbraw/zinc/38/69/15/387386915.db2.gz UWWWANHDWVNVGB-FZMZJTMJSA-N 0 0 239.359 2.186 10 0 BEAERN CSCCCC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000121629836 387389123 /nfs/dbraw/zinc/38/91/23/387389123.db2.gz NKDASAZEPPYSJC-VHSXEESVSA-N 0 0 247.429 2.482 10 0 BEAERN NC(=O)c1c(F)ccc(F)c1C(F)(F)F ZINC000575694901 387394384 /nfs/dbraw/zinc/39/43/84/387394384.db2.gz KFVXROBWGUEYDM-UHFFFAOYSA-N 0 0 225.116 2.083 10 0 BEAERN OCc1cc(C(F)(F)F)cc(F)c1F ZINC000575695763 387395587 /nfs/dbraw/zinc/39/55/87/387395587.db2.gz RACTXABRSGPPFG-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN OCc1c(F)ccc(F)c1C(F)(F)F ZINC000575696004 387395964 /nfs/dbraw/zinc/39/59/64/387395964.db2.gz TYBUWMGRLHOWEW-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN OCc1ccc(F)c(C(F)(F)F)c1O ZINC000575702954 387398354 /nfs/dbraw/zinc/39/83/54/387398354.db2.gz IZYYWNNTXWAHAW-UHFFFAOYSA-N 0 0 210.126 2.042 10 0 BEAERN CCc1cc(C)cc(SC)c1C(N)=O ZINC000575702895 387398745 /nfs/dbraw/zinc/39/87/45/387398745.db2.gz ILCAMCOHHLSZGZ-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCc1cc(C(F)(F)F)c(C(N)=O)cc1OC ZINC000575703716 387400198 /nfs/dbraw/zinc/40/01/98/387400198.db2.gz OUHYZJUONLMHOP-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1cc(SC)cc(C)c1C(N)=O ZINC000575704186 387400465 /nfs/dbraw/zinc/40/04/65/387400465.db2.gz UDKHMCDTMIGRMS-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCOC(=O)c1cc(O)c(Cl)cc1F ZINC000575699961 387403388 /nfs/dbraw/zinc/40/33/88/387403388.db2.gz FOWBAARUHXYBPT-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCOC(=O)Cc1cc(O)c(OC)c(Cl)c1 ZINC000575701318 387405263 /nfs/dbraw/zinc/40/52/63/387405263.db2.gz VPKBOHQFPNUVLG-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCc1cc(SC)cc(C(N)=O)c1F ZINC000575701586 387405296 /nfs/dbraw/zinc/40/52/96/387405296.db2.gz FSUFHHSPYBKLQR-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN CCc1ccc(C=O)c(C(N)=O)c1C(F)(F)F ZINC000575702392 387406674 /nfs/dbraw/zinc/40/66/74/387406674.db2.gz JHUYCKROJQDGJP-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN CCc1cc(SC)cc(C(N)=O)c1OC ZINC000575704618 387408971 /nfs/dbraw/zinc/40/89/71/387408971.db2.gz WSFPKHLMPFHXGY-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CCc1c(OC)cc(C(N)=O)cc1SC ZINC000575704714 387409188 /nfs/dbraw/zinc/40/91/88/387409188.db2.gz XLXBJBFMFFZZBD-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN COC(=O)c1c(F)c(O)ccc1C(F)(F)F ZINC000575713845 387410357 /nfs/dbraw/zinc/41/03/57/387410357.db2.gz HICAXVZYMCRZLF-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COc1cc(F)c(C=O)cc1SC ZINC000575707812 387412247 /nfs/dbraw/zinc/41/22/47/387412247.db2.gz IHFZHYPVLHZHRT-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COc1cc(SC)c(F)cc1CO ZINC000575708525 387413818 /nfs/dbraw/zinc/41/38/18/387413818.db2.gz RIYKUFAKEXBMMS-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1ccc(F)c(SC)c1CO ZINC000575708904 387413943 /nfs/dbraw/zinc/41/39/43/387413943.db2.gz SZCWFVCRQFOAGG-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN Cc1cc(C(N)=O)c(OC(F)(F)F)cc1F ZINC000575710894 387414969 /nfs/dbraw/zinc/41/49/69/387414969.db2.gz ZZPIFXQJEQMANU-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COC(=O)c1cc(O)cc(C(F)(F)F)c1F ZINC000575713630 387417480 /nfs/dbraw/zinc/41/74/80/387417480.db2.gz HGJCJIBXJLBNKK-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN CCn1ccnc1CSCc1noc(C)n1 ZINC000083632595 387418495 /nfs/dbraw/zinc/41/84/95/387418495.db2.gz ZCZQVJQHMPAGAE-UHFFFAOYSA-N 0 0 238.316 2.028 10 0 BEAERN CSCC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000029799545 387542691 /nfs/dbraw/zinc/54/26/91/387542691.db2.gz KFRTYLWWXXBEGO-UHFFFAOYSA-N 0 0 247.323 2.378 10 0 BEAERN CCC[C@@H]1C(=O)NC(=O)[C@@]1(C)c1ccccc1 ZINC000584623743 387502683 /nfs/dbraw/zinc/50/26/83/387502683.db2.gz MXKIIIUVBZQNBG-RISCZKNCSA-N 0 0 231.295 2.017 10 0 BEAERN COc1ccccc1S[C@H]1COC(=O)C1 ZINC000584635051 387506555 /nfs/dbraw/zinc/50/65/55/387506555.db2.gz JXGSAJMROZAGGQ-MRVPVSSYSA-N 0 0 224.281 2.103 10 0 BEAERN COc1ccccc1S[C@@H]1COC(=O)C1 ZINC000584635052 387506623 /nfs/dbraw/zinc/50/66/23/387506623.db2.gz JXGSAJMROZAGGQ-QMMMGPOBSA-N 0 0 224.281 2.103 10 0 BEAERN CCCCN(CC)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000122389651 387516112 /nfs/dbraw/zinc/51/61/12/387516112.db2.gz OUIIRSNHKDXDIW-MNOVXSKESA-N 0 0 213.321 2.203 10 0 BEAERN Nc1ccn(Cc2ccsc2Cl)n1 ZINC000575525966 387535267 /nfs/dbraw/zinc/53/52/67/387535267.db2.gz MORILRCFUCVXAX-UHFFFAOYSA-N 0 0 213.693 2.059 10 0 BEAERN CSCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000029279931 387541002 /nfs/dbraw/zinc/54/10/02/387541002.db2.gz ITVZOOXIMHRHAK-UHFFFAOYSA-N 0 0 247.323 2.378 10 0 BEAERN COc1cc(N)c(OC(F)(F)F)cc1C ZINC000575728625 387464910 /nfs/dbraw/zinc/46/49/10/387464910.db2.gz FQAHOPNNOGWVSY-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN Cc1cc(O)c(N)c(OC(F)(F)F)c1 ZINC000575728376 387465920 /nfs/dbraw/zinc/46/59/20/387465920.db2.gz NVUDWCKKICADJN-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1c(N)ccc(O)c1C(F)(F)F ZINC000575727937 387466140 /nfs/dbraw/zinc/46/61/40/387466140.db2.gz LQCPUDVPDXORDQ-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN Cc1cc(N)cc(O)c1OC(F)(F)F ZINC000575728297 387466162 /nfs/dbraw/zinc/46/61/62/387466162.db2.gz MRPUOWWYNJQTDT-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COC(=O)Cc1cc(N)c(Cl)c(Cl)c1 ZINC000575730581 387469665 /nfs/dbraw/zinc/46/96/65/387469665.db2.gz ULXZGUSRAHKLIL-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN Cc1cocc1-c1onc(N)c1Br ZINC000575538767 387581830 /nfs/dbraw/zinc/58/18/30/387581830.db2.gz PRULUJDRRFVNNM-UHFFFAOYSA-N 0 0 243.060 2.418 10 0 BEAERN COc1cc(C)nc(NCCCCSC)n1 ZINC000124700188 387628208 /nfs/dbraw/zinc/62/82/08/387628208.db2.gz OYZDUDBQBPVJJT-UHFFFAOYSA-N 0 0 241.360 2.349 10 0 BEAERN CSc1c(N)nsc1N1CC[C@@H]1C ZINC000575540573 387589312 /nfs/dbraw/zinc/58/93/12/387589312.db2.gz BCEVASXQWQVKOY-YFKPBYRVSA-N 0 0 215.347 2.046 10 0 BEAERN CCCCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000123670178 387590454 /nfs/dbraw/zinc/59/04/54/387590454.db2.gz UUBGMAFWYSHEGS-QWRGUYRKSA-N 0 0 221.300 2.128 10 0 BEAERN CC(C)CCC(=O)N(C)C[C@H]1CCCO1 ZINC000122777677 387597147 /nfs/dbraw/zinc/59/71/47/387597147.db2.gz YMIOZOGSBKIMCB-LLVKDONJSA-N 0 0 213.321 2.060 10 0 BEAERN CCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124513285 387621236 /nfs/dbraw/zinc/62/12/36/387621236.db2.gz DAXDNHJIPWOJRT-NEPJUHHUSA-N 0 0 226.364 2.118 10 0 BEAERN c1coc([C@H]2CCCN2Cc2csnn2)c1 ZINC000124562903 387624025 /nfs/dbraw/zinc/62/40/25/387624025.db2.gz BLPDQUGAQURCBW-SNVBAGLBSA-N 0 0 235.312 2.468 10 0 BEAERN C[C@H](NCc1cscn1)c1ccncc1 ZINC000040420962 387548429 /nfs/dbraw/zinc/54/84/29/387548429.db2.gz FQTASYTUZJXIMF-VIFPVBQESA-N 0 0 219.313 2.389 10 0 BEAERN CC[C@H](NC(=O)COC(C)C)c1nccs1 ZINC000122551396 387549316 /nfs/dbraw/zinc/54/93/16/387549316.db2.gz KIQIALFNYUTNJO-VIFPVBQESA-N 0 0 242.344 2.135 10 0 BEAERN O=c1[nH]cnc2c(F)c(Br)ccc12 ZINC000575533595 387553465 /nfs/dbraw/zinc/55/34/65/387553465.db2.gz VSRFNXOXMWZOCV-UHFFFAOYSA-N 0 0 243.035 2.237 10 0 BEAERN C[C@H]1CC[C@H](N2CN=NC2=S)CS1 ZINC000575536119 387576756 /nfs/dbraw/zinc/57/67/56/387576756.db2.gz TVNXYADSEYJAJC-BQBZGAKWSA-N 0 0 215.347 2.023 10 0 BEAERN Clc1csc(NCc2ccsn2)n1 ZINC000575556113 387694283 /nfs/dbraw/zinc/69/42/83/387694283.db2.gz GQCIJQHSEYHYEB-UHFFFAOYSA-N 0 0 231.733 2.287 10 0 BEAERN Brc1cnccc1[C@@H]1NCCS1 ZINC000575546773 387634719 /nfs/dbraw/zinc/63/47/19/387634719.db2.gz URPKZWCXZMFWJD-MRVPVSSYSA-N 0 0 245.145 2.179 10 0 BEAERN CSCCCC(=O)NCc1cncc(C)c1 ZINC000125062814 387640347 /nfs/dbraw/zinc/64/03/47/387640347.db2.gz SVXYBQZXFYQOBT-UHFFFAOYSA-N 0 0 238.356 2.149 10 0 BEAERN COCc1ccc(C(=O)N2CCCC[C@H]2C)o1 ZINC000123053135 387641812 /nfs/dbraw/zinc/64/18/12/387641812.db2.gz DWZABSVEAVTLNP-SNVBAGLBSA-N 0 0 237.299 2.441 10 0 BEAERN CCC1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000125240040 387649134 /nfs/dbraw/zinc/64/91/34/387649134.db2.gz XWQAHRJTWWAIFR-CXQJBGSLSA-N 0 0 225.332 2.108 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000125701635 387662374 /nfs/dbraw/zinc/66/23/74/387662374.db2.gz SMFIAJWIAQHTON-QWRGUYRKSA-N 0 0 227.348 2.354 10 0 BEAERN Cc1n[nH]cc1C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000362840775 387663852 /nfs/dbraw/zinc/66/38/52/387663852.db2.gz ROXOWWWFZAYJFH-ZYHUDNBSSA-N 0 0 233.315 2.123 10 0 BEAERN C[C@H](NC(=O)C1CCC1)[C@@H]1COc2ccccc21 ZINC000128280792 387742811 /nfs/dbraw/zinc/74/28/11/387742811.db2.gz QNJKFCUXJZCNIP-GWCFXTLKSA-N 0 0 245.322 2.467 10 0 BEAERN Cc1cscc1-c1nnc(C=O)s1 ZINC000575572112 387747187 /nfs/dbraw/zinc/74/71/87/387747187.db2.gz PZAZCBWLCPXYMX-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN Cc1noc(Cl)c1CC(=O)N[C@@H](C)C(C)C ZINC000128759362 387753575 /nfs/dbraw/zinc/75/35/75/387753575.db2.gz AAQIAQQESNFNST-ZETCQYMHSA-N 0 0 244.722 2.340 10 0 BEAERN Cc1sc(C[C@H]2CC2(F)F)nc1N ZINC000575560551 387698497 /nfs/dbraw/zinc/69/84/97/387698497.db2.gz JSASESTZDMNWBD-YFKPBYRVSA-N 0 0 204.245 2.231 10 0 BEAERN Cc1nc(-c2nccc(=S)[nH]2)cs1 ZINC000575560939 387698808 /nfs/dbraw/zinc/69/88/08/387698808.db2.gz LCRJGVAUVMOQLQ-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC1(Nc2ccc(Br)nn2)CCC1 ZINC000575563447 387704561 /nfs/dbraw/zinc/70/45/61/387704561.db2.gz LRTISMLGAXMPCJ-UHFFFAOYSA-N 0 0 242.120 2.016 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000356763519 387716470 /nfs/dbraw/zinc/71/64/70/387716470.db2.gz QCMLOCGFSOJJMO-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN COCc1csc(NC(=O)c2ccoc2)n1 ZINC000115245751 387716980 /nfs/dbraw/zinc/71/69/80/387716980.db2.gz MQFWYVQCCMYYAH-UHFFFAOYSA-N 0 0 238.268 2.135 10 0 BEAERN COC(=O)CN1CC=C(c2ccccc2F)CC1 ZINC000127659506 387723374 /nfs/dbraw/zinc/72/33/74/387723374.db2.gz DFYQDDLMWYCDAB-UHFFFAOYSA-N 0 0 249.285 2.088 10 0 BEAERN COC[C@@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000128232017 387742139 /nfs/dbraw/zinc/74/21/39/387742139.db2.gz KFSBVERXXFVVIT-SNVBAGLBSA-N 0 0 227.348 2.354 10 0 BEAERN C[C@@H]1CC[C@@H](c2nc(-c3ccccn3)no2)O1 ZINC000129139605 387764312 /nfs/dbraw/zinc/76/43/12/387764312.db2.gz UMUHDYWTGQGWJV-SCZZXKLOSA-N 0 0 231.255 2.372 10 0 BEAERN O=C([C@@H]1CC=CCC1)N1CCC[C@H]1CCCO ZINC000052759187 387810660 /nfs/dbraw/zinc/81/06/60/387810660.db2.gz JGTLRAPGJWNGPD-OLZOCXBDSA-N 0 0 237.343 2.106 10 0 BEAERN CC(C)C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000128876990 387757293 /nfs/dbraw/zinc/75/72/93/387757293.db2.gz GWADHZLNSMBOHS-ZYHUDNBSSA-N 0 0 233.311 2.323 10 0 BEAERN Cc1c(CO)cnn1-c1cc(C)cc(C)c1 ZINC000082660730 177890689 /nfs/dbraw/zinc/89/06/89/177890689.db2.gz IBTLVMMKMZQSPO-UHFFFAOYSA-N 0 0 216.284 2.290 10 0 BEAERN N#Cc1cc(C(F)F)cc(CO)c1F ZINC000575644387 387872916 /nfs/dbraw/zinc/87/29/16/387872916.db2.gz YKHNCCVMXCVQDZ-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN Cc1ccc([N+](=O)[O-])c(N)c1OC(F)(F)F ZINC000575637648 387832353 /nfs/dbraw/zinc/83/23/53/387832353.db2.gz GVDMMZUJOOTRMX-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CC(C)=CC(=O)N[C@@H]1COc2ccccc21 ZINC000194856113 387833713 /nfs/dbraw/zinc/83/37/13/387833713.db2.gz XIQIXAHPOSIASU-LLVKDONJSA-N 0 0 217.268 2.203 10 0 BEAERN Cc1cc(N)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575638287 387833735 /nfs/dbraw/zinc/83/37/35/387833735.db2.gz QXYAXGQWSBHPOI-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COc1ccc(OC(F)F)c(F)c1C#N ZINC000575638769 387834001 /nfs/dbraw/zinc/83/40/01/387834001.db2.gz AKGSFMWAHAVJFU-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)Cc1cc(C(F)(F)F)c(N)cc1C ZINC000575638930 387834128 /nfs/dbraw/zinc/83/41/28/387834128.db2.gz FVOCPMJYWQIXLP-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COC(=O)Cc1ccc(N)c(C)c1C(F)(F)F ZINC000575639453 387835400 /nfs/dbraw/zinc/83/54/00/387835400.db2.gz GZTVGBVTNQUQDZ-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1cc(C#N)cc(C(F)F)c1CO ZINC000575639545 387836961 /nfs/dbraw/zinc/83/69/61/387836961.db2.gz APOXNDNFELNNAL-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1c(F)ccc(C#N)c1OC(F)F ZINC000575640496 387839237 /nfs/dbraw/zinc/83/92/37/387839237.db2.gz OVWSFWWMYTWOOE-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COc1ccc(C#N)c(OC(F)F)c1C(C)=O ZINC000575640975 387841020 /nfs/dbraw/zinc/84/10/20/387841020.db2.gz RIGTXASOYAXCIH-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1c(C)ccc(N)c1C(F)(F)F ZINC000575641578 387842472 /nfs/dbraw/zinc/84/24/72/387842472.db2.gz WPZIATCOEFGQOL-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN N#Cc1cc(C=O)cc(F)c1OC(F)F ZINC000575641665 387842619 /nfs/dbraw/zinc/84/26/19/387842619.db2.gz XCSSJDGSTHFEIQ-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(OC(F)F)cc(C#N)c1C(C)=O ZINC000575641794 387844151 /nfs/dbraw/zinc/84/41/51/387844151.db2.gz YUEXTLASQZPKMB-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(F)c(OC(F)F)cc1C#N ZINC000575641791 387844889 /nfs/dbraw/zinc/84/48/89/387844889.db2.gz YRCBJHGAXFMTRJ-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1cc(C(F)F)c(C#N)cc1CO ZINC000575642234 387845336 /nfs/dbraw/zinc/84/53/36/387845336.db2.gz VWDWUYNAJWIPRS-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)c1cc(OC)c(N)c(C(F)(F)F)c1 ZINC000575641950 387845645 /nfs/dbraw/zinc/84/56/45/387845645.db2.gz ZTSIVNFSISAMKC-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCc1cc(C#N)cc(C(F)F)c1C(N)=O ZINC000575642021 387846607 /nfs/dbraw/zinc/84/66/07/387846607.db2.gz RODSUCAWABTJRS-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN CCOc1cc(CO)c(C#N)cc1C(F)F ZINC000575641309 387847992 /nfs/dbraw/zinc/84/79/92/387847992.db2.gz NXDPZKOTVKEEKY-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)Cc1c(N)ccc(C)c1C(F)(F)F ZINC000575641404 387848128 /nfs/dbraw/zinc/84/81/28/387848128.db2.gz SWQGGUQXPQNIHT-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1cc(C#N)cc(CO)c1CC ZINC000575643090 387865963 /nfs/dbraw/zinc/86/59/63/387865963.db2.gz MDNJEFYJNMLMKC-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN N#Cc1cc(C(F)F)c(F)cc1CO ZINC000575643043 387866471 /nfs/dbraw/zinc/86/64/71/387866471.db2.gz LYJWNHJKGHADRE-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCc1cc(C#N)cc(C(C)=O)c1C=O ZINC000575644145 387869633 /nfs/dbraw/zinc/86/96/33/387869633.db2.gz CSYZKPPICSJEGV-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CC(=O)c1c(O)cc(C(F)F)cc1C#N ZINC000575643722 387869929 /nfs/dbraw/zinc/86/99/29/387869929.db2.gz SUCWMNBFHPODDU-UHFFFAOYSA-N 0 0 211.167 2.404 10 0 BEAERN CCc1cc(C#N)c(C(C)=O)c(C=O)c1 ZINC000575644356 387871924 /nfs/dbraw/zinc/87/19/24/387871924.db2.gz FDPDAYMYLGVJGG-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN N#Cc1ccc(F)c(CO)c1OC(F)(F)F ZINC000575644479 387872140 /nfs/dbraw/zinc/87/21/40/387872140.db2.gz AEIRQSMWIHQMEM-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN N#Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C=O ZINC000575651335 387891290 /nfs/dbraw/zinc/89/12/90/387891290.db2.gz YNQRHMHYKJZATQ-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN N#Cc1cc(CO)c(F)c(OC(F)(F)F)c1 ZINC000575648027 387891932 /nfs/dbraw/zinc/89/19/32/387891932.db2.gz PFPIJWYUIAGPHE-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1c(CO)cc(F)cc1OC(F)F ZINC000575653204 387894288 /nfs/dbraw/zinc/89/42/88/387894288.db2.gz AMSKEGYMJVEVTE-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN Cc1cc(C)c(CO)c(OC(F)F)c1 ZINC000575653132 387894600 /nfs/dbraw/zinc/89/46/00/387894600.db2.gz XCVJOOCZBSOKHA-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN CCc1cc(O)c(OC(F)F)c(CO)c1 ZINC000575653314 387894721 /nfs/dbraw/zinc/89/47/21/387894721.db2.gz FIUAUBLBUHDFNP-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN COc1cc(O)cc(OC(F)F)c1OC ZINC000575653166 387894994 /nfs/dbraw/zinc/89/49/94/387894994.db2.gz ZAJPOBDVGIGPSW-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN CCc1c(O)cc(CO)cc1OC(F)F ZINC000575653568 387896259 /nfs/dbraw/zinc/89/62/59/387896259.db2.gz KMAAUNISMOYQBM-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2COc3ccccc32)o1 ZINC000194859194 387897177 /nfs/dbraw/zinc/89/71/77/387897177.db2.gz AKBHTHKYQDNUSG-NSHDSACASA-N 0 0 243.262 2.452 10 0 BEAERN N#Cc1cc(OC(F)(F)F)c(F)cc1CO ZINC000575644593 387876230 /nfs/dbraw/zinc/87/62/30/387876230.db2.gz AHZACKJFXUBAGW-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1ccc(OC)c(C#N)c1C(C)=O ZINC000575645771 387876254 /nfs/dbraw/zinc/87/62/54/387876254.db2.gz NBGZXMLSCYAYPG-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(OC)cc(C#N)c1C(C)=O ZINC000575644703 387876991 /nfs/dbraw/zinc/87/69/91/387876991.db2.gz DTQZHRTYMHQXGI-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN N#Cc1c(CO)ccc(F)c1OC(F)(F)F ZINC000575644923 387877763 /nfs/dbraw/zinc/87/77/63/387877763.db2.gz CCWYPULRKIXOCY-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN C=Cn1cc(CN[C@H]2COc3ccccc32)cn1 ZINC000194353532 387878952 /nfs/dbraw/zinc/87/89/52/387878952.db2.gz GWRRYTZPBNWPJI-ZDUSSCGKSA-N 0 0 241.294 2.207 10 0 BEAERN N#Cc1cc(CO)cc(OC(F)(F)F)c1F ZINC000575646745 387882354 /nfs/dbraw/zinc/88/23/54/387882354.db2.gz JIBJXBKYPVDCNC-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1cc(C#N)c(C(F)(F)F)c(C(N)=O)c1 ZINC000575646565 387882523 /nfs/dbraw/zinc/88/25/23/387882523.db2.gz GSDUBWQEKIYSCH-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN Cc1cc(C#N)c(C(F)(F)F)cc1CO ZINC000575646635 387882589 /nfs/dbraw/zinc/88/25/89/387882589.db2.gz KFUXUFHHFWMZGD-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN COc1ccc(C=O)c(C#N)c1C(F)(F)F ZINC000575646886 387883174 /nfs/dbraw/zinc/88/31/74/387883174.db2.gz IESWOKKHKFJGNJ-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1c(CO)cc(F)cc1C(F)(F)F ZINC000575647718 387883342 /nfs/dbraw/zinc/88/33/42/387883342.db2.gz MBWWTCYLGUDULY-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCOc1cc([N+](=O)[O-])cc(OCC)c1C#N ZINC000575646908 387883653 /nfs/dbraw/zinc/88/36/53/387883653.db2.gz BXJWWLOLOXYYFM-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN N#Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C=O ZINC000575646947 387883702 /nfs/dbraw/zinc/88/37/02/387883702.db2.gz FNYMQUUAUSJSFX-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCOc1cc(C#N)c(OC)cc1C(C)=O ZINC000575647513 387883968 /nfs/dbraw/zinc/88/39/68/387883968.db2.gz LCZFDEJROKBRFZ-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(C#N)c(C(C)=O)c([N+](=O)[O-])c1 ZINC000575647520 387884347 /nfs/dbraw/zinc/88/43/47/387884347.db2.gz IJDVGIZZMBHXKD-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN N#Cc1cc(C(F)(F)F)cc(C=O)c1[N+](=O)[O-] ZINC000575649367 387886421 /nfs/dbraw/zinc/88/64/21/387886421.db2.gz MVTQXYKLCDEPTB-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCc1cc(C(F)(F)F)c(C#N)cc1C(N)=O ZINC000575650456 387886685 /nfs/dbraw/zinc/88/66/85/387886685.db2.gz WZPYCDJZPGPAJL-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN OCc1cc(OC(F)F)cc(C(F)F)c1O ZINC000575651845 387899258 /nfs/dbraw/zinc/89/92/58/387899258.db2.gz FTAGOGSXOFAKPV-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN CC(C)OCCC(=O)N[C@H]1COc2ccccc21 ZINC000194885371 387900053 /nfs/dbraw/zinc/90/00/53/387900053.db2.gz QBTQPFLUOBCRQU-LBPRGKRZSA-N 0 0 249.310 2.051 10 0 BEAERN Cc1ccc(F)cc1NCc1nnnn1C(C)C ZINC000194983175 387901992 /nfs/dbraw/zinc/90/19/92/387901992.db2.gz BJSNZDHHAIOURT-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN Cc1ccc(NCc2nnnn2C(C)C)c(F)c1 ZINC000194983792 387903135 /nfs/dbraw/zinc/90/31/35/387903135.db2.gz XRGOOGXPURICLD-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN CCn1c(C)nnc1CN([C@H](C)C1CC1)C1CC1 ZINC000195068167 387904587 /nfs/dbraw/zinc/90/45/87/387904587.db2.gz WEGSQMMJYJHRLN-SNVBAGLBSA-N 0 0 248.374 2.369 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000155578636 387909257 /nfs/dbraw/zinc/90/92/57/387909257.db2.gz MVNWEISJOKICRP-ICCXJUOJSA-N 0 0 249.285 2.184 10 0 BEAERN Cc1cc(C)c(C)c(OCc2nnc(N)o2)c1 ZINC000026473139 177854102 /nfs/dbraw/zinc/85/41/02/177854102.db2.gz IRYQYMSHAVRLBH-UHFFFAOYSA-N 0 0 233.271 2.156 10 0 BEAERN Cc1csc([C@H]2CN(CC(C)C)CCO2)n1 ZINC000195385810 387914048 /nfs/dbraw/zinc/91/40/48/387914048.db2.gz AEWZVCWMSVUTIL-LLVKDONJSA-N 0 0 240.372 2.481 10 0 BEAERN Cc1cc(C(=O)c2nccn2C)ccc1F ZINC000063058669 177826834 /nfs/dbraw/zinc/82/68/34/177826834.db2.gz PLDZQIIHJAVFMO-UHFFFAOYSA-N 0 0 218.231 2.099 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)ccc1F ZINC000134251246 177814545 /nfs/dbraw/zinc/81/45/45/177814545.db2.gz GGFGTKVIXBIKCU-CABZTGNLSA-N 0 0 237.274 2.041 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC2[C@H](C)CCC[C@H]2C)O1 ZINC000246010099 388003155 /nfs/dbraw/zinc/00/31/55/388003155.db2.gz KXTCMMBNCHEHJD-DDHJBXDOSA-N 0 0 239.359 2.495 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000246219677 388019842 /nfs/dbraw/zinc/01/98/42/388019842.db2.gz YOBXPCGVPLHQGY-YUTCNCBUSA-N 0 0 247.338 2.189 10 0 BEAERN C[C@H](c1cccnc1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000246212242 388021572 /nfs/dbraw/zinc/02/15/72/388021572.db2.gz OOQDXQHXSUXEOL-FOGDFJRCSA-N 0 0 233.315 2.192 10 0 BEAERN CS[C@@H](C)CC(=O)N[C@@H](C)C(C)C ZINC000156675305 388021911 /nfs/dbraw/zinc/02/19/11/388021911.db2.gz GHJVFALBDXZLLK-IUCAKERBSA-N 0 0 203.351 2.289 10 0 BEAERN CC(C)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246238510 388022918 /nfs/dbraw/zinc/02/29/18/388022918.db2.gz GGJBKLWRXJCEJP-MGPQQGTHSA-N 0 0 229.323 2.345 10 0 BEAERN c1cc2nc([C@H]3CCSC3)nc-2c[nH]1 ZINC000069985654 388077233 /nfs/dbraw/zinc/07/72/33/388077233.db2.gz RRLXZVJYPOYMNO-ZETCQYMHSA-N 0 0 205.286 2.178 10 0 BEAERN CC[C@@H]1CCCCN1Cc1nnnn1C(C)C ZINC000195007445 388081872 /nfs/dbraw/zinc/08/18/72/388081872.db2.gz BADKZSNQBIOJFQ-LLVKDONJSA-N 0 0 237.351 2.019 10 0 BEAERN CSC[C@H]1CCCN1C(=O)OC(C)C ZINC000400312914 388095476 /nfs/dbraw/zinc/09/54/76/388095476.db2.gz BLMOMYYFCUVKKR-SECBINFHSA-N 0 0 217.334 2.359 10 0 BEAERN CC1(C)OCC[C@H]1NC(=O)OCc1ccccc1 ZINC000306667593 388112273 /nfs/dbraw/zinc/11/22/73/388112273.db2.gz FCNWEAHWTKASDS-GFCCVEGCSA-N 0 0 249.310 2.480 10 0 BEAERN c1ccc2ncc(N3CCOCC3)cc2c1 ZINC000082713063 388129244 /nfs/dbraw/zinc/12/92/44/388129244.db2.gz LQJSNKRFJJVSNY-UHFFFAOYSA-N 0 0 214.268 2.071 10 0 BEAERN Cc1cc(C)nc(N2CCS[C@@H](C)C2)n1 ZINC000171608572 388129667 /nfs/dbraw/zinc/12/96/67/388129667.db2.gz IHOGKGUHEOQTKT-JTQLQIEISA-N 0 0 223.345 2.035 10 0 BEAERN C[C@@H](CC(=O)[O-])C[C@@H]([NH3+])CC(C)(C)C ZINC000521401089 256516949 /nfs/dbraw/zinc/51/69/49/256516949.db2.gz FOYDOCVSZJRLLO-RKDXNWHRSA-N 0 0 201.310 2.251 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)N1 ZINC000238804043 388257040 /nfs/dbraw/zinc/25/70/40/388257040.db2.gz FQRMBGGAKFARQJ-BDAKNGLRSA-N 0 0 214.309 2.299 10 0 BEAERN Cc1cc(C(=O)N2CCS[C@@H](C)C2)ns1 ZINC000278036115 177762324 /nfs/dbraw/zinc/76/23/24/177762324.db2.gz RYHOSKPKKGLVJQ-QMMMGPOBSA-N 0 0 242.369 2.029 10 0 BEAERN CC(=O)c1cc(N)ccc1OC(F)F ZINC000041210547 388273092 /nfs/dbraw/zinc/27/30/92/388273092.db2.gz SESOJKSGOONLAL-UHFFFAOYSA-N 0 0 201.172 2.073 10 0 BEAERN COC(=O)CCC(=O)c1cc(C)cc(F)c1 ZINC000382711058 388275463 /nfs/dbraw/zinc/27/54/63/388275463.db2.gz YNUOIEBQUKIUHV-UHFFFAOYSA-N 0 0 224.231 2.270 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(Cl)nn1 ZINC000233388045 388346537 /nfs/dbraw/zinc/34/65/37/388346537.db2.gz ILQNOEQWMXWHRS-IONNQARKSA-N 0 0 239.706 2.048 10 0 BEAERN CCC1(CNC(=O)N[C@@H]2CCO[C@H]2C)CCC1 ZINC000131554823 388347034 /nfs/dbraw/zinc/34/70/34/388347034.db2.gz KLLCYSOTGFDDNH-WDEREUQCSA-N 0 0 240.347 2.043 10 0 BEAERN CC(C)(C(=O)NC[C@@H]1CCC[C@@H]1O)C1CCC1 ZINC000322216818 388355277 /nfs/dbraw/zinc/35/52/77/388355277.db2.gz RUCJFTSPLDMOHX-JQWIXIFHSA-N 0 0 239.359 2.090 10 0 BEAERN COCCC(C)(C)CNC(=O)OC(C)C ZINC000234672772 388358570 /nfs/dbraw/zinc/35/85/70/388358570.db2.gz YDLJKJQXIDTMRG-UHFFFAOYSA-N 0 0 217.309 2.184 10 0 BEAERN NC(=S)NCc1cc2cscc2s1 ZINC000575523153 388359034 /nfs/dbraw/zinc/35/90/34/388359034.db2.gz MVJOUQMHBVOERO-UHFFFAOYSA-N 0 0 228.367 2.296 10 0 BEAERN C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(F)c1 ZINC000295011781 388406981 /nfs/dbraw/zinc/40/69/81/388406981.db2.gz MDFMFKSYUDHZBF-GXFFZTMASA-N 0 0 223.291 2.171 10 0 BEAERN Nc1ccc2c(c1)[nH]nc2-c1cccnc1 ZINC000031991955 388390470 /nfs/dbraw/zinc/39/04/70/388390470.db2.gz WUIMWWYJZRZWDT-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000006043299 388391168 /nfs/dbraw/zinc/39/11/68/388391168.db2.gz AVQDACOFTDAGII-NEPJUHHUSA-N 0 0 203.285 2.316 10 0 BEAERN Nc1cc(C=O)c(-c2cccc(F)c2)cn1 ZINC000165233951 388394459 /nfs/dbraw/zinc/39/44/59/388394459.db2.gz IIAKLNZGBKDKNE-UHFFFAOYSA-N 0 0 216.215 2.282 10 0 BEAERN C[C@H](C(=O)N1CCC[C@H]1CCCO)C(C)(F)F ZINC000336899023 388441465 /nfs/dbraw/zinc/44/14/65/388441465.db2.gz QXQZVYDILBGGCZ-ZJUUUORDSA-N 0 0 249.301 2.041 10 0 BEAERN Cn1cc(CCCO)c2cc(F)ccc21 ZINC000071491874 388442870 /nfs/dbraw/zinc/44/28/70/388442870.db2.gz ZEDUHLPSQSKXJJ-UHFFFAOYSA-N 0 0 207.248 2.242 10 0 BEAERN CC(F)(F)c1onc(N)c1Br ZINC000300866994 388458986 /nfs/dbraw/zinc/45/89/86/388458986.db2.gz JYIRFSLKCJYTPV-UHFFFAOYSA-N 0 0 227.008 2.131 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc(C2CC2)ns1 ZINC000134572875 388476939 /nfs/dbraw/zinc/47/69/39/388476939.db2.gz UIEBGICSWMWFDM-POYBYMJQSA-N 0 0 225.317 2.005 10 0 BEAERN CCOCCSCc1nnc(C(C)C)n1C ZINC000173753516 388478616 /nfs/dbraw/zinc/47/86/16/388478616.db2.gz HETOQCJLBQFFHF-UHFFFAOYSA-N 0 0 243.376 2.208 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000068543050 388410462 /nfs/dbraw/zinc/41/04/62/388410462.db2.gz GGKHBTCJXJCMIA-QWRGUYRKSA-N 0 0 242.363 2.240 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1CC2(CCC2)C1 ZINC000648826637 388415955 /nfs/dbraw/zinc/41/59/55/388415955.db2.gz CRYVNVDBYRFHNJ-NSHDSACASA-N 0 0 239.359 2.090 10 0 BEAERN O=C(CN1CCCC1)c1cc(F)cc(F)c1 ZINC000070459489 388437010 /nfs/dbraw/zinc/43/70/10/388437010.db2.gz JEOQUPPXISOCHA-UHFFFAOYSA-N 0 0 225.238 2.243 10 0 BEAERN C=Cc1nc(Cc2nc(C)cs2)no1 ZINC000070580987 388438306 /nfs/dbraw/zinc/43/83/06/388438306.db2.gz NOIWQBCQQYIEIP-UHFFFAOYSA-N 0 0 207.258 2.068 10 0 BEAERN CCc1cc(C(=O)Nc2cc[nH]n2)oc1CC ZINC000135190917 388483838 /nfs/dbraw/zinc/48/38/38/388483838.db2.gz NTBNXOYUQVAJTO-UHFFFAOYSA-N 0 0 233.271 2.380 10 0 BEAERN CCC[C@@H](C(=O)NCc1ccsc1)[NH+](C)C ZINC000178648558 388503085 /nfs/dbraw/zinc/50/30/85/388503085.db2.gz JKZBFKPTJRZXOU-NSHDSACASA-N 0 0 240.372 2.095 10 0 BEAERN COc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ncn1 ZINC000378809974 388509828 /nfs/dbraw/zinc/50/98/28/388509828.db2.gz ZPPWDLCYUMHKNF-IVZWLZJFSA-N 0 0 219.288 2.086 10 0 BEAERN Cc1cc(C)n(CCN[C@@H](C)c2ncc(C)o2)n1 ZINC000348358055 388527977 /nfs/dbraw/zinc/52/79/77/388527977.db2.gz IVOVFHXOFMDZLN-LBPRGKRZSA-N 0 0 248.330 2.147 10 0 BEAERN CCCc1cc(NC(=O)CC[C@@H](C)OC)n[nH]1 ZINC000136342046 388531328 /nfs/dbraw/zinc/53/13/28/388531328.db2.gz KAEHTXVPANBSOP-SECBINFHSA-N 0 0 239.319 2.116 10 0 BEAERN O=C1N[C@@H]2CCCC[C@@H]2c2ccccc21 ZINC000001595652 388587020 /nfs/dbraw/zinc/58/70/20/388587020.db2.gz CQQBPJQEIHYWQX-ZYHUDNBSSA-N 0 0 201.269 2.456 10 0 in-vivo BEAERN CC(C)[C@H](C)NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000186069439 388597866 /nfs/dbraw/zinc/59/78/66/388597866.db2.gz NCXDWRDFXNQXCF-WDEREUQCSA-N 0 0 242.363 2.288 10 0 BEAERN CCOC[C@H](C)NC(=O)c1ccc(Cl)o1 ZINC000220190774 388602047 /nfs/dbraw/zinc/60/20/47/388602047.db2.gz KZPFJAJRDHVLEG-ZETCQYMHSA-N 0 0 231.679 2.088 10 0 BEAERN CCC[C@H](C)[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000187682005 388610345 /nfs/dbraw/zinc/61/03/45/388610345.db2.gz SDJRYDGGPMWAIU-UONOGXRCSA-N 0 0 242.407 2.218 10 0 BEAERN COC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000040435048 388567657 /nfs/dbraw/zinc/56/76/57/388567657.db2.gz NWTXJKXDLBSRDG-UHFFFAOYSA-N 0 0 220.203 2.002 10 0 BEAERN CCOC(=O)/C=C1/COCCc2ccccc21 ZINC000220933242 388584185 /nfs/dbraw/zinc/58/41/85/388584185.db2.gz PHERUQMYZUCUHD-XFXZXTDPSA-N 0 0 232.279 2.206 10 0 BEAERN CC(F)(F)COc1ncc(CO)cc1Cl ZINC000223242415 388584616 /nfs/dbraw/zinc/58/46/16/388584616.db2.gz OHRZHRPJTZTHSV-UHFFFAOYSA-N 0 0 237.633 2.261 10 0 BEAERN Cc1cc(Br)ccc1N(C)CCO ZINC000049831654 177722546 /nfs/dbraw/zinc/72/25/46/177722546.db2.gz DBQJLTYCPGZDPZ-UHFFFAOYSA-N 0 0 244.132 2.186 10 0 BEAERN CCOC(=O)CN[C@H]1CCCC[C@@H]1C(C)C ZINC000125688163 388674681 /nfs/dbraw/zinc/67/46/81/388674681.db2.gz BLJWAHZCZIMPOV-NEPJUHHUSA-N 0 0 227.348 2.354 10 0 BEAERN COC(=O)[C@H](C)N[C@H]1CCCC[C@H]1C(C)C ZINC000125686829 388674808 /nfs/dbraw/zinc/67/48/08/388674808.db2.gz SFBNGFPDTABVTH-SRVKXCTJSA-N 0 0 227.348 2.352 10 0 BEAERN COc1cc(C[NH+]2CCCC2)cc2c1OCCO2 ZINC000123927165 388659441 /nfs/dbraw/zinc/65/94/41/388659441.db2.gz PFDXFBKKQBUBHO-UHFFFAOYSA-N 0 0 249.310 2.062 10 0 BEAERN CCOC(=O)C(C)(C)NC(=O)CC(CC)CC ZINC000128129206 388739087 /nfs/dbraw/zinc/73/90/87/388739087.db2.gz PWDFKRHMJWABLL-UHFFFAOYSA-N 0 0 243.347 2.271 10 0 BEAERN C[C@@H]1CCC[C@@H]1CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000248984302 388702265 /nfs/dbraw/zinc/70/22/65/388702265.db2.gz JPLNPMMKNPLQNC-MROQNXINSA-N 0 0 239.359 2.449 10 0 BEAERN COc1ccc([C@@]2(O)CSC[C@H]2C)cc1 ZINC000389661897 388702702 /nfs/dbraw/zinc/70/27/02/388702702.db2.gz ITICSWNLDODAIJ-BXKDBHETSA-N 0 0 224.325 2.266 10 0 BEAERN Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)nc1 ZINC000127041212 388712253 /nfs/dbraw/zinc/71/22/53/388712253.db2.gz MPRFLWDWHBJNCS-TZMCWYRMSA-N 0 0 234.343 2.031 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1C(=O)OC(C)C ZINC000127058517 388713439 /nfs/dbraw/zinc/71/34/39/388713439.db2.gz JEELMLZEWDZEGM-UWVGGRQHSA-N 0 0 215.293 2.031 10 0 BEAERN Cc1cccc(CNC(=O)N2[C@H](C)CC[C@@H]2C)n1 ZINC000127086833 388714365 /nfs/dbraw/zinc/71/43/65/388714365.db2.gz PBCNTLBCYURTMA-TXEJJXNPSA-N 0 0 247.342 2.472 10 0 BEAERN CC(C)OC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000127226447 388718752 /nfs/dbraw/zinc/71/87/52/388718752.db2.gz RYQHLJPKSIXXPP-SECBINFHSA-N 0 0 215.293 2.031 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1CCCCS1 ZINC000127584163 388727384 /nfs/dbraw/zinc/72/73/84/388727384.db2.gz WZYZXKKBJJVLJO-VIFPVBQESA-N 0 0 217.334 2.407 10 0 BEAERN CC(C)OC(=O)N[C@@H]1CCCSC1 ZINC000127844238 388733423 /nfs/dbraw/zinc/73/34/23/388733423.db2.gz DGMYPWBYQUZMNC-MRVPVSSYSA-N 0 0 203.307 2.017 10 0 BEAERN CC(C)Cn1cncc1CN1CCCCCC1=O ZINC000095510944 388776886 /nfs/dbraw/zinc/77/68/86/388776886.db2.gz SZTTYUDEVOBUQQ-UHFFFAOYSA-N 0 0 249.358 2.442 10 0 BEAERN Cn1ncc(N)c1-c1ccsc1Cl ZINC000575469204 388843977 /nfs/dbraw/zinc/84/39/77/388843977.db2.gz OGLUQAQATXQNKL-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN CCc1oc(C(=O)N(C)CCCOC)cc1C ZINC000129255823 388827476 /nfs/dbraw/zinc/82/74/76/388827476.db2.gz VOXOEHABPQGDLR-UHFFFAOYSA-N 0 0 239.315 2.259 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cccc(O)c1 ZINC000649120211 388834767 /nfs/dbraw/zinc/83/47/67/388834767.db2.gz RVEDFGTZVUQGCH-ZWKOPEQDSA-N 0 0 231.295 2.311 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cc(OC)ccc1O ZINC000231694707 388840829 /nfs/dbraw/zinc/84/08/29/388840829.db2.gz LVDURQAMJKZUIH-JOYOIKCWSA-N 0 0 249.310 2.319 10 0 BEAERN Cc1cc(-c2ccc(F)c(C)c2)nc(N)n1 ZINC000071520013 177684239 /nfs/dbraw/zinc/68/42/39/177684239.db2.gz VRFSJKIVAUXPRR-UHFFFAOYSA-N 0 0 217.247 2.482 10 0 BEAERN COC(=O)Cc1ccc(C)c(OC(F)(F)F)n1 ZINC000575374962 388884103 /nfs/dbraw/zinc/88/41/03/388884103.db2.gz CLELKROSTXIILY-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN COC(=O)Cc1nc(C)ccc1OC(F)(F)F ZINC000575375001 388884191 /nfs/dbraw/zinc/88/41/91/388884191.db2.gz GPSFRXGEKMIXTA-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCC1CCC(NC(=O)c2c[nH]nc2C)CC1 ZINC000070214893 388878001 /nfs/dbraw/zinc/87/80/01/388878001.db2.gz SEFNMXAZJYCPTF-UHFFFAOYSA-N 0 0 235.331 2.417 10 0 BEAERN CN[C@H](C)c1ncsc1Br ZINC000575499655 388989795 /nfs/dbraw/zinc/98/97/95/388989795.db2.gz CMKUTIXDUGJXNE-SCSAIBSYSA-N 0 0 221.123 2.186 10 0 BEAERN CC(C)=CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000264271432 388991158 /nfs/dbraw/zinc/99/11/58/388991158.db2.gz GKDOSOLXFSESKM-GFCCVEGCSA-N 0 0 233.315 2.050 10 0 BEAERN NCc1ncc(-c2occc2Br)o1 ZINC000575506384 388991922 /nfs/dbraw/zinc/99/19/22/388991922.db2.gz GRIUAXBMLYNVHW-UHFFFAOYSA-N 0 0 243.060 2.156 10 0 BEAERN N[C@@H](c1occc1Br)C1=CCCO1 ZINC000575509702 389003228 /nfs/dbraw/zinc/00/32/28/389003228.db2.gz ZMGTZSQPBCTPIS-MRVPVSSYSA-N 0 0 244.088 2.346 10 0 BEAERN C[C@@H]1CN(c2ccc(N)cc2Cl)CCO1 ZINC000021958177 132331967 /nfs/dbraw/zinc/33/19/67/132331967.db2.gz GAMRITJSMHUNTI-MRVPVSSYSA-N 0 0 226.707 2.147 10 0 BEAERN CC(=O)c1ccc(N2CCOC[C@@H]2C)c(F)c1 ZINC000035776699 132339410 /nfs/dbraw/zinc/33/94/10/132339410.db2.gz CTOKHIINYBCPIX-VIFPVBQESA-N 0 0 237.274 2.253 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1cccc(N)c1 ZINC000036131704 132340078 /nfs/dbraw/zinc/34/00/78/132340078.db2.gz LCJAIWZLEKDHLA-CMPLNLGQSA-N 0 0 220.316 2.273 10 0 BEAERN Cc1cc(N)cnc1N1CCC[C@@H](C)C1 ZINC000036241559 132341201 /nfs/dbraw/zinc/34/12/01/132341201.db2.gz MJMBMZBGVFKYDC-SECBINFHSA-N 0 0 205.305 2.209 10 0 BEAERN C[C@@H]1CN(c2cc(N)cc(F)c2)C[C@H](C)O1 ZINC000037666510 132344978 /nfs/dbraw/zinc/34/49/78/132344978.db2.gz YCTPWEHIPGJMBJ-DTORHVGOSA-N 0 0 224.279 2.022 10 0 BEAERN Nc1ccc(N2CCCOC2=O)c(Cl)c1 ZINC000041054524 132349279 /nfs/dbraw/zinc/34/92/79/132349279.db2.gz OSDWPJNJGKYMIW-UHFFFAOYSA-N 0 0 226.663 2.269 10 0 BEAERN C[C@@H](O)c1ccc(N2CCOCC2)c(Cl)c1 ZINC000058826193 132368588 /nfs/dbraw/zinc/36/85/88/132368588.db2.gz VWRVHBRZBBSUPL-SECBINFHSA-N 0 0 241.718 2.230 10 0 BEAERN CCN(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000122071557 169684536 /nfs/dbraw/zinc/68/45/36/169684536.db2.gz RGTONNQIDVNIKA-NEPJUHHUSA-N 0 0 218.300 2.204 10 0 BEAERN C(SC1CCOCC1)c1nnc(C2CC2)[nH]1 ZINC000179873475 533375802 /nfs/dbraw/zinc/37/58/02/533375802.db2.gz RTRWNPCYUJRQBH-UHFFFAOYSA-N 0 0 239.344 2.094 10 0 BEAERN C[C@H]1CN(c2ccncc2Cl)C[C@H](C)O1 ZINC000267245302 132189055 /nfs/dbraw/zinc/18/90/55/132189055.db2.gz HQXKAFKJUQNVLF-IUCAKERBSA-N 0 0 226.707 2.349 10 0 BEAERN Cc1c(N)cc(Cl)c2c1N(C)CCO2 ZINC000062525802 132239941 /nfs/dbraw/zinc/23/99/41/132239941.db2.gz JOESVHPYXSVALK-UHFFFAOYSA-N 0 0 212.680 2.059 10 0 BEAERN CC1CCN(c2[nH]c(=O)nc3ccccc32)CC1 ZINC000033268224 132294887 /nfs/dbraw/zinc/29/48/87/132294887.db2.gz ONHFZXDSVHPVLM-UHFFFAOYSA-N 0 0 243.310 2.159 10 0 BEAERN C[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 ZINC000040351500 132296114 /nfs/dbraw/zinc/29/61/14/132296114.db2.gz IAZPSIOCANNBQK-JTQLQIEISA-N 0 0 243.310 2.159 10 0 BEAERN CCCCCN1c2cc(N)ccc2OCC1=O ZINC000011569022 132319788 /nfs/dbraw/zinc/31/97/88/132319788.db2.gz CZHFSEZGXLPVMP-UHFFFAOYSA-N 0 0 234.299 2.184 10 0 BEAERN CC(=O)CC(=O)N1CCSc2ccccc21 ZINC000019410960 132324693 /nfs/dbraw/zinc/32/46/93/132324693.db2.gz NBACUHDLAODGIO-UHFFFAOYSA-N 0 0 235.308 2.104 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2cc(C(N)=S)ccn2)C1 ZINC000019805768 132327522 /nfs/dbraw/zinc/32/75/22/132327522.db2.gz RUPAWBOUKAEHFO-UWVGGRQHSA-N 0 0 249.383 2.198 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2cc(C(N)=S)ccn2)C1 ZINC000019805765 132327545 /nfs/dbraw/zinc/32/75/45/132327545.db2.gz RUPAWBOUKAEHFO-AOOOYVTPSA-N 0 0 249.383 2.198 10 0 BEAERN Cc1cc(N2CCCCC2)n2nccc2n1 ZINC000026478328 132333494 /nfs/dbraw/zinc/33/34/94/132333494.db2.gz IURHBDHPACRCFA-UHFFFAOYSA-N 0 0 216.288 2.028 10 0 BEAERN CCC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000032102564 132335164 /nfs/dbraw/zinc/33/51/64/132335164.db2.gz QRTLTZFTSGYQQP-UHFFFAOYSA-N 0 0 246.354 2.421 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000035631117 132338834 /nfs/dbraw/zinc/33/88/34/132338834.db2.gz WYMBYIMPNCLGKP-IJLUTSLNSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@@H](O)c1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000035650421 132338893 /nfs/dbraw/zinc/33/88/93/132338893.db2.gz DIJONVMIVXLWPM-GRYCIOLGSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@@H]1CCCN(c2ccc(N)c3nonc32)C1 ZINC000035675214 132339164 /nfs/dbraw/zinc/33/91/64/132339164.db2.gz AFLLEQKWUPDFSO-MRVPVSSYSA-N 0 0 232.287 2.041 10 0 BEAERN C[C@@H](O)c1ccccc1N1C[C@@H](C)OC[C@H]1C ZINC000035787947 132339683 /nfs/dbraw/zinc/33/96/83/132339683.db2.gz MLDUITRRIJUZQX-IJLUTSLNSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2C=O)[C@H](C)CO1 ZINC000035787552 132339750 /nfs/dbraw/zinc/33/97/50/132339750.db2.gz JDQWPHRTIUQNST-NXEZZACHSA-N 0 0 237.274 2.252 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1ccc(C=O)cc1F ZINC000035787599 132339787 /nfs/dbraw/zinc/33/97/87/132339787.db2.gz FWZLHIIDBGIEQD-ZJUUUORDSA-N 0 0 237.274 2.252 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1ccc(N)cc1F ZINC000036131929 132340022 /nfs/dbraw/zinc/34/00/22/132340022.db2.gz VKAUQLUOXBEEPP-ONGXEEELSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1ccccc1N ZINC000036131846 132340138 /nfs/dbraw/zinc/34/01/38/132340138.db2.gz ONTUWNSXVAVIPC-WDEREUQCSA-N 0 0 220.316 2.273 10 0 BEAERN Cc1cc(N)cnc1N1C[C@H](C)C[C@H](C)C1 ZINC000036241538 132341189 /nfs/dbraw/zinc/34/11/89/132341189.db2.gz TVGXSMZCYQDABS-AOOOYVTPSA-N 0 0 219.332 2.455 10 0 BEAERN C[C@@H]1CN(c2cccc(F)c2N)C[C@H](C)O1 ZINC000037418999 132344578 /nfs/dbraw/zinc/34/45/78/132344578.db2.gz MFJCDEMQZTYEJL-DTORHVGOSA-N 0 0 224.279 2.022 10 0 BEAERN CC[C@H]1COCCN1c1c(F)cc(N)cc1F ZINC000038040191 132346058 /nfs/dbraw/zinc/34/60/58/132346058.db2.gz JKXMWVPJTLQNSK-VIFPVBQESA-N 0 0 242.269 2.162 10 0 BEAERN COc1cc2c(cc1C=O)CCC(=S)N2C ZINC000039125024 132346646 /nfs/dbraw/zinc/34/66/46/132346646.db2.gz DICLIDZWZSOILQ-UHFFFAOYSA-N 0 0 235.308 2.218 10 0 BEAERN CCO[C@H]1CCCN(c2cc(N)cc(F)c2)C1 ZINC000042421407 132351387 /nfs/dbraw/zinc/35/13/87/132351387.db2.gz YELUAIIMIWYFED-ZDUSSCGKSA-N 0 0 238.306 2.413 10 0 BEAERN CCCO[C@@H]1CCCN(c2ccc(N)nc2)C1 ZINC000042421116 132351435 /nfs/dbraw/zinc/35/14/35/132351435.db2.gz HFGPXTZMSBIJRH-GFCCVEGCSA-N 0 0 235.331 2.059 10 0 BEAERN C[C@H]1CN(c2ccccc2N)CC(C)(C)O1 ZINC000045687066 132354619 /nfs/dbraw/zinc/35/46/19/132354619.db2.gz JOXXAIAUKDKAPY-JTQLQIEISA-N 0 0 220.316 2.273 10 0 BEAERN C[C@H]1CN(c2cccc(N)c2)CC(C)(C)O1 ZINC000045687034 132354632 /nfs/dbraw/zinc/35/46/32/132354632.db2.gz ZRMXBMPZGGCDIQ-JTQLQIEISA-N 0 0 220.316 2.273 10 0 BEAERN C[C@@H]1CN(c2ccccc2N)CC(C)(C)O1 ZINC000045687063 132354689 /nfs/dbraw/zinc/35/46/89/132354689.db2.gz JOXXAIAUKDKAPY-SNVBAGLBSA-N 0 0 220.316 2.273 10 0 BEAERN COCc1ccccc1N1CCC(=O)C[C@@H]1C ZINC000049713798 132357942 /nfs/dbraw/zinc/35/79/42/132357942.db2.gz FUFPLEQBCFVKLY-NSHDSACASA-N 0 0 233.311 2.391 10 0 BEAERN Cc1cc(CO)ccc1N1C[C@H](C)OC[C@@H]1C ZINC000050560818 132359088 /nfs/dbraw/zinc/35/90/88/132359088.db2.gz JQGVFHAHJTZSSW-RYUDHWBXSA-N 0 0 235.327 2.101 10 0 BEAERN Nc1ccc2c(c1)N(C[C@@H]1CCOC1)CCC2 ZINC000051296732 132359698 /nfs/dbraw/zinc/35/96/98/132359698.db2.gz UIAGBDCFUNFICD-NSHDSACASA-N 0 0 232.327 2.058 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1cc(F)ccc1N ZINC000052120553 132361971 /nfs/dbraw/zinc/36/19/71/132361971.db2.gz WKEHZLRLECKRJZ-MWLCHTKSSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@H]1COCCN1c1cc(F)ccc1N ZINC000052120734 132361973 /nfs/dbraw/zinc/36/19/73/132361973.db2.gz BDQXZSXNLXLDTF-JTQLQIEISA-N 0 0 224.279 2.023 10 0 BEAERN Cc1ccc(N)cc1N1CCCC[C@@H]1CCO ZINC000053734433 132363580 /nfs/dbraw/zinc/36/35/80/132363580.db2.gz KMKVFOLFLAJNAX-CYBMUJFWSA-N 0 0 234.343 2.319 10 0 BEAERN Cc1ccc(N)cc1N1CCOC(C)(C)C1 ZINC000053735093 132363629 /nfs/dbraw/zinc/36/36/29/132363629.db2.gz SSNHDMIVXJIRLH-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Nc1cccc(N2CCCC[C@@H]2CCO)c1 ZINC000057363596 132365631 /nfs/dbraw/zinc/36/56/31/132365631.db2.gz NBZDIQQCRGECLW-GFCCVEGCSA-N 0 0 220.316 2.010 10 0 BEAERN C[C@@H]1C[C@@H](C)CCN1c1ncnc(Cl)c1N ZINC000062364402 132387369 /nfs/dbraw/zinc/38/73/69/132387369.db2.gz FQTXYCVKLPSBHB-JGVFFNPUSA-N 0 0 240.738 2.337 10 0 BEAERN CCC1(C(=O)[O-])CCN(c2cc[nH+]cc2)CC1 ZINC000062845790 132388611 /nfs/dbraw/zinc/38/86/11/132388611.db2.gz ZMXRNLFDKVHFQZ-UHFFFAOYSA-N 0 0 234.299 2.163 10 0 BEAERN CC[C@H]1CN(c2cccc(N)c2C)CCO1 ZINC000062724701 132388623 /nfs/dbraw/zinc/38/86/23/132388623.db2.gz RPVDAFRVTOICGY-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN O=C1Nc2ccc(F)cc2N2CCCC[C@@H]12 ZINC000066054723 132390608 /nfs/dbraw/zinc/39/06/08/132390608.db2.gz QMKVLKJZNLAHBB-JTQLQIEISA-N 0 0 220.247 2.137 10 0 BEAERN O=C1CCCCN1c1ccc2c(c1)CCN2 ZINC000070821445 132391392 /nfs/dbraw/zinc/39/13/92/132391392.db2.gz UQNRBFZKMIYXLY-UHFFFAOYSA-N 0 0 216.284 2.172 10 0 BEAERN C[C@H](O)c1ccc(N2CCCC[C@H]2CO)cc1 ZINC000103925798 132433667 /nfs/dbraw/zinc/43/36/67/132433667.db2.gz NCCPWLXAJNNNLT-FZMZJTMJSA-N 0 0 235.327 2.091 10 0 BEAERN CCC1(CNC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000078355532 133460390 /nfs/dbraw/zinc/46/03/90/133460390.db2.gz PMBUSHMBHRSJAY-JTQLQIEISA-N 0 0 242.388 2.324 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOc2ncccc21 ZINC000335985402 134038842 /nfs/dbraw/zinc/03/88/42/134038842.db2.gz PNEGEEYRIDGZRP-WDEREUQCSA-N 0 0 246.310 2.243 10 0 BEAERN Nc1cccc(-c2nc(-c3cccs3)no2)n1 ZINC000168404621 134198224 /nfs/dbraw/zinc/19/82/24/134198224.db2.gz XJVSZVOYOGYQFX-UHFFFAOYSA-N 0 0 244.279 2.442 10 0 BEAERN O=C1NCCN1Cc1ccc(F)c(Cl)c1 ZINC000169105417 134249511 /nfs/dbraw/zinc/24/95/11/134249511.db2.gz MTAJWIMBJDPFSU-UHFFFAOYSA-N 0 0 228.654 2.004 10 0 BEAERN O=C(Nc1cccc(-c2ncon2)c1)C1CCC1 ZINC000170632901 134252996 /nfs/dbraw/zinc/25/29/96/134252996.db2.gz APVJGVGCWSLNBR-UHFFFAOYSA-N 0 0 243.266 2.475 10 0 BEAERN CSCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632747 134253184 /nfs/dbraw/zinc/25/31/84/134253184.db2.gz KTAURVQVLNXVRK-UHFFFAOYSA-N 0 0 249.295 2.038 10 0 BEAERN Cc1cc(NC(=O)N[C@H](C)CC2CC2)n(C)n1 ZINC000171846742 134260983 /nfs/dbraw/zinc/26/09/83/134260983.db2.gz RUSRVFBJZKRAGB-MRVPVSSYSA-N 0 0 236.319 2.039 10 0 BEAERN CON(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000172837065 134270064 /nfs/dbraw/zinc/27/00/64/134270064.db2.gz DYFPNQVXOAULBM-QWRGUYRKSA-N 0 0 211.305 2.223 10 0 BEAERN COC[C@H](C)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000174281206 134280144 /nfs/dbraw/zinc/28/01/44/134280144.db2.gz CLDAQHAVGWKNAN-TUAOUCFPSA-N 0 0 225.332 2.060 10 0 BEAERN CC(C)CCCNC(=O)c1ncncc1Cl ZINC000175132196 134284740 /nfs/dbraw/zinc/28/47/40/134284740.db2.gz AIQOGNXLFWZVGP-UHFFFAOYSA-N 0 0 241.722 2.296 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCC2(CCCC2)C1 ZINC000176343790 134290998 /nfs/dbraw/zinc/29/09/98/134290998.db2.gz XJTKYJWCLHUHGJ-QWRGUYRKSA-N 0 0 222.332 2.371 10 0 BEAERN C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C1CC1 ZINC000177386777 134297576 /nfs/dbraw/zinc/29/75/76/134297576.db2.gz UQFHGNZCXRRBQU-ZJUUUORDSA-N 0 0 234.347 2.064 10 0 BEAERN Cc1nccn1C[C@H]1CCCN1CC(F)(F)F ZINC000178322415 134308291 /nfs/dbraw/zinc/30/82/91/134308291.db2.gz WGAIEZSCYVRYRP-SNVBAGLBSA-N 0 0 247.264 2.218 10 0 BEAERN C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000178437381 134310703 /nfs/dbraw/zinc/31/07/03/134310703.db2.gz YJKOTDIBWIIUFC-WCFLWFBJSA-N 0 0 237.343 2.203 10 0 BEAERN CCCCOCCN[C@H](C)c1ncc(C)o1 ZINC000220923576 134314815 /nfs/dbraw/zinc/31/48/15/134314815.db2.gz FCEJHLBGYIWVIF-LLVKDONJSA-N 0 0 226.320 2.450 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccco2)o1 ZINC000220876990 134316711 /nfs/dbraw/zinc/31/67/11/134316711.db2.gz PNZNJGXOPSJPQL-SECBINFHSA-N 0 0 206.245 2.427 10 0 BEAERN O=C(C1CCCC1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179341401 134320496 /nfs/dbraw/zinc/32/04/96/134320496.db2.gz XZFQEDAGMOGKEQ-NSHDSACASA-N 0 0 248.330 2.049 10 0 BEAERN O=C(N[C@@H]1CCCC[C@H]1CO)C1CCCCC1 ZINC000225655737 134356499 /nfs/dbraw/zinc/35/64/99/134356499.db2.gz WAKULWQOVKLBBQ-QWHCGFSZSA-N 0 0 239.359 2.234 10 0 BEAERN O=C(CC1CCCC1)N[C@@H]1CCCC[C@@H]1CO ZINC000225673255 134356715 /nfs/dbraw/zinc/35/67/15/134356715.db2.gz CBZLACUOPCFDTC-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN O[C@@H]1CCOc2c(N[C@H]3CCCOC3)cccc21 ZINC000184572082 134363439 /nfs/dbraw/zinc/36/34/39/134363439.db2.gz BLVUZCFQJODODK-GXFFZTMASA-N 0 0 249.310 2.093 10 0 BEAERN CCC[C@@H](C(=O)OCC)N1CCS[C@@H](C)C1 ZINC000227035721 134373506 /nfs/dbraw/zinc/37/35/06/134373506.db2.gz VSRIPYYQDJJDJX-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)CCCCCO ZINC000227097541 134374428 /nfs/dbraw/zinc/37/44/28/134374428.db2.gz CHBWXQRPDGFJNG-NEPJUHHUSA-N 0 0 227.348 2.044 10 0 BEAERN CC[C@H](NC(=O)N[C@@H]1CCO[C@@H](C)C1)C(C)C ZINC000408076455 134386765 /nfs/dbraw/zinc/38/67/65/134386765.db2.gz JEAKTIWWSGLVQX-TUAOUCFPSA-N 0 0 242.363 2.288 10 0 BEAERN CC[C@@H](C)N(C)C(=O)N[C@H](C)C(C)C ZINC000079828291 134392707 /nfs/dbraw/zinc/39/27/07/134392707.db2.gz FUMZWIOXYNJPIS-NXEZZACHSA-N 0 0 200.326 2.471 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000408146330 134407088 /nfs/dbraw/zinc/40/70/88/134407088.db2.gz YUQRVYUMYTWRKZ-ZNSHCXBVSA-N 0 0 234.299 2.206 10 0 BEAERN C[C@H](C(=O)N1CC[C@@H](CCO)C1)c1ccccc1 ZINC000229009066 134437102 /nfs/dbraw/zinc/43/71/02/134437102.db2.gz YNXKDCNCMWRNQL-STQMWFEESA-N 0 0 247.338 2.021 10 0 BEAERN Cc1n[nH]cc1CCCNC(=O)[C@@H]1CCC[C@H]1C ZINC000230170442 134485629 /nfs/dbraw/zinc/48/56/29/134485629.db2.gz GUTFTYTUJVUQJP-ZWNOBZJWSA-N 0 0 249.358 2.203 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCC1(O)CCCCC1 ZINC000230173491 134486341 /nfs/dbraw/zinc/48/63/41/134486341.db2.gz JVXNGIPUDMNUJX-NWDGAFQWSA-N 0 0 239.359 2.234 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1n[nH]c2c1CCCCC2 ZINC000189635173 134549682 /nfs/dbraw/zinc/54/96/82/134549682.db2.gz LUUWGFNQIRDBQQ-JTQLQIEISA-N 0 0 249.358 2.453 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189701778 134550485 /nfs/dbraw/zinc/55/04/85/134550485.db2.gz UDVGSHMDEVXADT-TUAOUCFPSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1ccc(C(=O)NCc2cscn2)cc1 ZINC000050407982 134660406 /nfs/dbraw/zinc/66/04/06/134660406.db2.gz WSVHUSQUZLDRJJ-UHFFFAOYSA-N 0 0 232.308 2.382 10 0 BEAERN CC[C@H](CCO)NC(=O)CCc1ccc(C)cc1 ZINC000133823065 134693254 /nfs/dbraw/zinc/69/32/54/134693254.db2.gz OGYIHIFFSRIEDD-CQSZACIVSA-N 0 0 249.354 2.205 10 0 BEAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCCO1 ZINC000155783957 134698880 /nfs/dbraw/zinc/69/88/80/134698880.db2.gz UIFFYGGVJNYXIG-NEPJUHHUSA-N 0 0 223.316 2.367 10 0 BEAERN CCC(CC)C(=O)N1CCC[C@H]1CCCO ZINC000052758784 134710287 /nfs/dbraw/zinc/71/02/87/134710287.db2.gz NDUBPBZFHCWKAW-LBPRGKRZSA-N 0 0 227.348 2.186 10 0 BEAERN CCOc1ccccc1CN(C)C(=O)C1CC1 ZINC000054586353 134767690 /nfs/dbraw/zinc/76/76/90/134767690.db2.gz QXGWICJACUZAQL-UHFFFAOYSA-N 0 0 233.311 2.454 10 0 BEAERN Cn1ccnc1CNc1cc(F)cc(F)c1F ZINC000061095505 134795495 /nfs/dbraw/zinc/79/54/95/134795495.db2.gz DAWZTCDDZHPBBG-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N[C@H]1C[C@H]1C ZINC000245416956 134853614 /nfs/dbraw/zinc/85/36/14/134853614.db2.gz JDIFPQFDYHUTAK-MPXAEWJHSA-N 0 0 247.338 2.066 10 0 BEAERN CO[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000246214682 134881476 /nfs/dbraw/zinc/88/14/76/134881476.db2.gz OXEVODOFDJULNQ-CYZMBNFOSA-N 0 0 248.326 2.082 10 0 BEAERN C[C@H](N)c1nc(-c2nccc3ccccc32)no1 ZINC000070079419 134909382 /nfs/dbraw/zinc/90/93/82/134909382.db2.gz MGIGFAOAGXTWLM-QMMMGPOBSA-N 0 0 240.266 2.305 10 0 BEAERN Cc1cnc(N[C@H]2COc3ccccc32)nc1 ZINC000070530290 134919989 /nfs/dbraw/zinc/91/99/89/134919989.db2.gz GHDIIRBQFFOSFR-NSHDSACASA-N 0 0 227.267 2.331 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000246744262 134960492 /nfs/dbraw/zinc/96/04/92/134960492.db2.gz FNOSJRAFCMBSKH-MROQNXINSA-N 0 0 239.359 2.496 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2[C@H](C)COC[C@H]2C)C1 ZINC000247174797 134973778 /nfs/dbraw/zinc/97/37/78/134973778.db2.gz YSXOMNCWQHSMOH-LPWJVIDDSA-N 0 0 239.359 2.449 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000248423513 135008439 /nfs/dbraw/zinc/00/84/39/135008439.db2.gz ZEEFNGJSIDCBID-ZDEQEGDKSA-N 0 0 241.375 2.336 10 0 BEAERN CCCCN(CCO)C(=O)[C@@H]1CCC[C@@H]1C ZINC000230169846 135019525 /nfs/dbraw/zinc/01/95/25/135019525.db2.gz MBZNFRKGJOWBKK-NWDGAFQWSA-N 0 0 227.348 2.044 10 0 BEAERN CO[C@H](C)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000248931200 135027787 /nfs/dbraw/zinc/02/77/87/135027787.db2.gz MKMMCCYJJWTJQC-WXHSDQCUSA-N 0 0 239.359 2.354 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@H]1C ZINC000249710857 135043685 /nfs/dbraw/zinc/04/36/85/135043685.db2.gz YCFPYQCZDUXBDK-NOOOWODRSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@@H](N(C)C(=O)[C@H]1CCCO[C@H]1C)C1(C)CC1 ZINC000249728371 135044818 /nfs/dbraw/zinc/04/48/18/135044818.db2.gz ZVVYSCLWJKRVIN-TUAOUCFPSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC=CCC1 ZINC000250794456 135058990 /nfs/dbraw/zinc/05/89/90/135058990.db2.gz SCDQBAGYJWKIMP-YNEHKIRRSA-N 0 0 237.343 2.274 10 0 BEAERN O=C(CC1CCCC1)NC[C@@H]1CCCC[C@@H]1O ZINC000077205167 135059571 /nfs/dbraw/zinc/05/95/71/135059571.db2.gz LEMVXMVUJZLFMR-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN C/C(=C\C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)C1CC1 ZINC000251705617 135074595 /nfs/dbraw/zinc/07/45/95/135074595.db2.gz KEIDLXFSCHDNRU-XBUPPUBLSA-N 0 0 235.327 2.026 10 0 BEAERN CC[C@H](C)CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000253281102 135125628 /nfs/dbraw/zinc/12/56/28/135125628.db2.gz WLCFAZPTAZLJRT-GARJFASQSA-N 0 0 213.321 2.106 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)[C@H](C)C(C)C ZINC000253553545 135127444 /nfs/dbraw/zinc/12/74/44/135127444.db2.gz BXIKVCCKOCDNFS-UTUOFQBUSA-N 0 0 227.348 2.447 10 0 BEAERN COC(=O)C(C)(C)NCC1CCC(C)CC1 ZINC000084331108 135211619 /nfs/dbraw/zinc/21/16/19/135211619.db2.gz QRPZYKFETNUXEN-UHFFFAOYSA-N 0 0 227.348 2.354 10 0 BEAERN CCC1(O)CN(Cc2ccc(C)c(C)c2)C1 ZINC000084359166 135211824 /nfs/dbraw/zinc/21/18/24/135211824.db2.gz GRPOWPCUPODKFG-UHFFFAOYSA-N 0 0 219.328 2.260 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)CC(C)(C)C1CC1 ZINC000342950237 135338433 /nfs/dbraw/zinc/33/84/33/135338433.db2.gz JUXGKCLEULYPLR-LLVKDONJSA-N 0 0 241.375 2.336 10 0 BEAERN CCOC[C@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000081469502 135387542 /nfs/dbraw/zinc/38/75/42/135387542.db2.gz ZHTCQFQYIDZRQA-RYUDHWBXSA-N 0 0 242.363 2.099 10 0 BEAERN OCC[C@H]1CCN(c2nc3ccccc3o2)C1 ZINC000078365958 135393592 /nfs/dbraw/zinc/39/35/92/135393592.db2.gz LGPPUUFSKMJBJE-SNVBAGLBSA-N 0 0 232.283 2.037 10 0 BEAERN Cc1cc(C)cc(C(=O)N2C[C@H](C)C[C@@H](O)C2)c1 ZINC000335086052 135407936 /nfs/dbraw/zinc/40/79/36/135407936.db2.gz PWEKJGRLYHWJCG-TZMCWYRMSA-N 0 0 247.338 2.146 10 0 BEAERN CC[C@H](O)CCCNC(=O)[C@H]1CCC[C@H]1C ZINC000344995627 135466138 /nfs/dbraw/zinc/46/61/38/135466138.db2.gz SBJSTVOLZPSYRU-WOPDTQHZSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H]1CC[C@H](N2C(=O)CC3(CCCC3)C2=O)C1 ZINC000335300472 136023396 /nfs/dbraw/zinc/02/33/96/136023396.db2.gz JGDNJNPFVLZRCS-QWRGUYRKSA-N 0 0 235.327 2.494 10 0 BEAERN O=C(c1ccccc1F)N1C[C@H]2CCC[C@@H]21 ZINC000335306418 136026433 /nfs/dbraw/zinc/02/64/33/136026433.db2.gz ROSICIAFPFDZMF-SKDRFNHKSA-N 0 0 219.259 2.450 10 0 BEAERN Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@H]32)s1 ZINC000335329629 136053379 /nfs/dbraw/zinc/05/33/79/136053379.db2.gz YAJFJBRRCJWTRH-VHSXEESVSA-N 0 0 236.340 2.384 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(N)cc1F ZINC000043570423 168296803 /nfs/dbraw/zinc/29/68/03/168296803.db2.gz FAMVXVZDXXPLTN-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN O=Cc1nc(Cl)ccc1OC(F)F ZINC000306616858 397940819 /nfs/dbraw/zinc/94/08/19/397940819.db2.gz PUFZQMDEADOVBF-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN COC1(c2nnc(Br)o2)CCCC1 ZINC000575462136 397942751 /nfs/dbraw/zinc/94/27/51/397942751.db2.gz OPBFGEOHVGLJBY-UHFFFAOYSA-N 0 0 247.092 2.248 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)Nc1ccnc(C)n1 ZINC000332978228 397946463 /nfs/dbraw/zinc/94/64/63/397946463.db2.gz YBFBEGWBVLVFNX-UWVGGRQHSA-N 0 0 234.303 2.095 10 0 BEAERN C[C@H]1CC[C@@H](n2cnnc2Cl)CS1 ZINC000575463872 397946555 /nfs/dbraw/zinc/94/65/55/397946555.db2.gz DJOMANMUWMZURL-NKWVEPMBSA-N 0 0 217.725 2.388 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)nn1C(C)(C)C ZINC000171050842 397946937 /nfs/dbraw/zinc/94/69/37/397946937.db2.gz SYMCMCKYTAEHHA-WCBMZHEXSA-N 0 0 235.331 2.085 10 0 BEAERN O=C([C@H]1CCc2ccccc21)N1CCSCC1 ZINC000334451133 397924504 /nfs/dbraw/zinc/92/45/04/397924504.db2.gz UVQJLZIHQIAFMQ-ZDUSSCGKSA-N 0 0 247.363 2.292 10 0 BEAERN COC[C@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000117202342 397924512 /nfs/dbraw/zinc/92/45/12/397924512.db2.gz SVUNZIFTVNSKFX-NWDGAFQWSA-N 0 0 227.348 2.306 10 0 BEAERN CN1C[C@H](C(F)(F)F)Nc2ccccc21 ZINC000616683946 397925671 /nfs/dbraw/zinc/92/56/71/397925671.db2.gz VMWHGRPGXNUGEB-SECBINFHSA-N 0 0 216.206 2.479 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cccnc1N ZINC000616683933 397925822 /nfs/dbraw/zinc/92/58/22/397925822.db2.gz VQUSEWMCUPSAPB-CYBMUJFWSA-N 0 0 240.310 2.267 10 0 BEAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1c(C)n[nH]c1C ZINC000165024642 398001635 /nfs/dbraw/zinc/00/16/35/398001635.db2.gz PDEJLEZPKBFTBU-ZYHUDNBSSA-N 0 0 207.321 2.305 10 0 BEAERN COc1c(C)cncc1Br ZINC000205823963 398003900 /nfs/dbraw/zinc/00/39/00/398003900.db2.gz OYEWDMQZOGWNMJ-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN O=C1CCC[C@H](S[C@@H]2CCOC2)C1 ZINC000575595239 398007518 /nfs/dbraw/zinc/00/75/18/398007518.db2.gz YLMHBXKPISQTEI-VHSXEESVSA-N 0 0 200.303 2.020 10 0 BEAERN CC1(C)OCC[C@H]1c1nsc(Cl)n1 ZINC000575596673 398011345 /nfs/dbraw/zinc/01/13/45/398011345.db2.gz RWUIZCBELXCOCH-YFKPBYRVSA-N 0 0 218.709 2.474 10 0 BEAERN CC1(C)OCC[C@@H]1c1nsc(Cl)n1 ZINC000575596672 398011352 /nfs/dbraw/zinc/01/13/52/398011352.db2.gz RWUIZCBELXCOCH-RXMQYKEDSA-N 0 0 218.709 2.474 10 0 BEAERN O=C(c1cncc(O)c1)N1CCC12CCCCC2 ZINC000373107299 398013056 /nfs/dbraw/zinc/01/30/56/398013056.db2.gz RHABYCYRUJDDQD-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)c(OC)cn1 ZINC000259841575 398013324 /nfs/dbraw/zinc/01/33/24/398013324.db2.gz KTEDNQSQUOVDFG-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN Clc1nsnc1S[C@H]1CCOC1 ZINC000575597311 398013733 /nfs/dbraw/zinc/01/37/33/398013733.db2.gz ZMZNEDKHJMDNKO-BYPYZUCNSA-N 0 0 222.722 2.073 10 0 BEAERN CC1(c2ncc(Br)c(F)n2)CC1 ZINC000575598414 398017851 /nfs/dbraw/zinc/01/78/51/398017851.db2.gz WYBPJUKBBCAHIP-UHFFFAOYSA-N 0 0 231.068 2.430 10 0 BEAERN COC(=O)Cc1c(C)c(Cl)ccc1OC ZINC000259873099 398017833 /nfs/dbraw/zinc/01/78/33/398017833.db2.gz AOTHTXGUPIRXTJ-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN CC[C@@H]1CS[C@@H](c2nccn2CC)N1 ZINC000307264449 398047788 /nfs/dbraw/zinc/04/77/88/398047788.db2.gz FPXKPLXVBMAGGG-SCZZXKLOSA-N 0 0 211.334 2.017 10 0 BEAERN CC[C@H]1CS[C@@H](c2nccn2CC)N1 ZINC000307264463 398048124 /nfs/dbraw/zinc/04/81/24/398048124.db2.gz FPXKPLXVBMAGGG-WPRPVWTQSA-N 0 0 211.334 2.017 10 0 BEAERN COC(=O)Cc1cc(OC)cc(F)c1Cl ZINC000260000501 398038550 /nfs/dbraw/zinc/03/85/50/398038550.db2.gz MAUAHYHWYYJMFO-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN OC[C@]1(Cc2cncs2)CC=CCC1 ZINC000307298163 398065135 /nfs/dbraw/zinc/06/51/35/398065135.db2.gz UACDZDYXPQERTB-LLVKDONJSA-N 0 0 209.314 2.404 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)cc(O)c1N ZINC000575725758 398068931 /nfs/dbraw/zinc/06/89/31/398068931.db2.gz VKXIOUXNFWPNHH-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCCCNCC1=N[C@H](c2ccccc2)N(C)O1 ZINC000584614093 398078063 /nfs/dbraw/zinc/07/80/63/398078063.db2.gz ONKFNLLKKBQYFS-AWEZNQCLSA-N 0 0 247.342 2.350 10 0 BEAERN CC(C)(C)OC(=O)N1CC2(CC2)CC[C@H]1CO ZINC000091304480 398094976 /nfs/dbraw/zinc/09/49/76/398094976.db2.gz SINYZZWXJNWNAG-JTQLQIEISA-N 0 0 241.331 2.158 10 0 BEAERN COC(=O)C(=O)c1cccc(C)c1Cl ZINC000260288932 398084324 /nfs/dbraw/zinc/08/43/24/398084324.db2.gz WIJNZGNTYWZEAD-UHFFFAOYSA-N 0 0 212.632 2.004 10 0 BEAERN Cn1ccn2nc(-c3ccsc3)cc12 ZINC000409437432 398088500 /nfs/dbraw/zinc/08/85/00/398088500.db2.gz GRRSYQLJNJVBCS-UHFFFAOYSA-N 0 0 203.270 2.401 10 0 BEAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCCO1 ZINC000189584596 398057442 /nfs/dbraw/zinc/05/74/42/398057442.db2.gz YCCFJVAMALWYGP-ZWNOBZJWSA-N 0 0 247.294 2.105 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCCCO1 ZINC000189584569 398058139 /nfs/dbraw/zinc/05/81/39/398058139.db2.gz YCCFJVAMALWYGP-GWCFXTLKSA-N 0 0 247.294 2.105 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1C ZINC000133659145 398100631 /nfs/dbraw/zinc/10/06/31/398100631.db2.gz BQVICHOELVLBRW-NWDGAFQWSA-N 0 0 235.327 2.050 10 0 BEAERN C[C@H](NC(=O)C1(C)CC1)[C@H]1COc2ccccc21 ZINC000128906087 398098146 /nfs/dbraw/zinc/09/81/46/398098146.db2.gz UXXXUEIYLMUPOD-CMPLNLGQSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000038977708 398111653 /nfs/dbraw/zinc/11/16/53/398111653.db2.gz SLYQEJBYVKKBNK-DGCLKSJQSA-N 0 0 249.310 2.168 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H]2C)o1 ZINC000246225536 398121375 /nfs/dbraw/zinc/12/13/75/398121375.db2.gz RSSMPLOJKCRWJI-FKTZTGRPSA-N 0 0 222.288 2.357 10 0 BEAERN Nc1ccc(C(=O)[C@@H]2CCOC2)cc1Cl ZINC000070042050 398124779 /nfs/dbraw/zinc/12/47/79/398124779.db2.gz UGXPWTCMVQDQHH-MRVPVSSYSA-N 0 0 225.675 2.141 10 0 BEAERN CCc1cnccc1C(=O)Nc1cccnc1 ZINC000136046007 398131566 /nfs/dbraw/zinc/13/15/66/398131566.db2.gz HPHXZXCSXASPJW-UHFFFAOYSA-N 0 0 227.267 2.291 10 0 BEAERN COCc1nnc(N[C@H](C)C(C)C)s1 ZINC000308739936 174647945 /nfs/dbraw/zinc/64/79/45/174647945.db2.gz NXZNXBRQBIQAIR-SSDOTTSWSA-N 0 0 215.322 2.141 10 0 BEAERN C[C@@H]1C[C@@H](C(F)(F)F)n2nccc2N1 ZINC000015933403 176359569 /nfs/dbraw/zinc/35/95/69/176359569.db2.gz IHJGEGBNYMMGDQ-RITPCOANSA-N 0 0 205.183 2.191 10 0 BEAERN CC(C)OC(=O)COc1ccc([C@@H](C)O)cc1 ZINC000043446700 167159468 /nfs/dbraw/zinc/15/94/68/167159468.db2.gz YIUFQYNYIDMYCH-SNVBAGLBSA-N 0 0 238.283 2.070 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)C1CCCCC1 ZINC000058667201 487564865 /nfs/dbraw/zinc/56/48/65/487564865.db2.gz LAWAEEVLFUPXPS-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN O=C(CCc1ccccc1)NCC[C@@H]1CCCO1 ZINC000058667197 487565002 /nfs/dbraw/zinc/56/50/02/487565002.db2.gz OLLSGLQLMZALOF-AWEZNQCLSA-N 0 0 247.338 2.305 10 0 BEAERN Cc1ccc(CC(=O)NCC[C@H]2CCCO2)cc1 ZINC000058667312 487565283 /nfs/dbraw/zinc/56/52/83/487565283.db2.gz ABKZMVSEQSINQP-CQSZACIVSA-N 0 0 247.338 2.223 10 0 BEAERN CC(C)OCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000122700569 167183774 /nfs/dbraw/zinc/18/37/74/167183774.db2.gz LARPNQLVOUDHCZ-GHMZBOCLSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1ccccc1CC(=O)NCC[C@@H]1CCCO1 ZINC000074850450 487582807 /nfs/dbraw/zinc/58/28/07/487582807.db2.gz BLYIXSHTMPIKFS-AWEZNQCLSA-N 0 0 247.338 2.223 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1n[nH]c2c1CCCC2 ZINC000674485983 487587469 /nfs/dbraw/zinc/58/74/69/487587469.db2.gz OOTRUIRFBYSGRO-CABZTGNLSA-N 0 0 247.342 2.207 10 0 BEAERN CC(C)OC[C@@H](O)CSc1cccc(O)c1 ZINC000126964639 167263961 /nfs/dbraw/zinc/26/39/61/167263961.db2.gz DKUAJJSBFFSMNP-LLVKDONJSA-N 0 0 242.340 2.270 10 0 BEAERN CC(C)OC[C@@H]1CCCC(=S)N1C ZINC000039124931 167264360 /nfs/dbraw/zinc/26/43/60/167264360.db2.gz FGVUGGGJUUJNDI-VIFPVBQESA-N 0 0 201.335 2.223 10 0 BEAERN CC(C)Oc1ncnc(NC2CCCC2)c1N ZINC000040795923 167316468 /nfs/dbraw/zinc/31/64/68/167316468.db2.gz NGGFEONDCLLNBE-UHFFFAOYSA-N 0 0 236.319 2.201 10 0 BEAERN C=Cc1ccccc1OCC(=O)N1CCCC1 ZINC000115096318 487604149 /nfs/dbraw/zinc/60/41/49/487604149.db2.gz XMUKFPYNEZCBSO-UHFFFAOYSA-N 0 0 231.295 2.331 10 0 BEAERN CC(C)S(=O)(=O)Cc1cc(N)ccc1Cl ZINC000037687146 167318382 /nfs/dbraw/zinc/31/83/82/167318382.db2.gz ZAHDRJUMPNRVJL-UHFFFAOYSA-N 0 0 247.747 2.245 10 0 BEAERN C[C@H]1CCC[C@H](N(C)C(=O)c2ncccc2N)C1 ZINC000132622536 409693920 /nfs/dbraw/zinc/69/39/20/409693920.db2.gz WFZCIVKBESRHGM-QWRGUYRKSA-N 0 0 247.342 2.315 10 0 BEAERN CN(C[C@@H]1CCCCO1)c1ccccc1CO ZINC000042464735 409843985 /nfs/dbraw/zinc/84/39/85/409843985.db2.gz NBLPUJXFINXCEN-ZDUSSCGKSA-N 0 0 235.327 2.184 10 0 BEAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCCCO ZINC000215247870 409902126 /nfs/dbraw/zinc/90/21/26/409902126.db2.gz ZZEQYTXKWDYZNU-STQMWFEESA-N 0 0 241.375 2.480 10 0 BEAERN C=Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000409422746 409995843 /nfs/dbraw/zinc/99/58/43/409995843.db2.gz IGQUDHTXURJJDX-CYBMUJFWSA-N 0 0 231.295 2.236 10 0 BEAERN C[C@H]1OCC[C@H]1Sc1ccc(C=O)o1 ZINC000235666902 410062219 /nfs/dbraw/zinc/06/22/19/410062219.db2.gz FGQUMRCUMQDPOF-VXNVDRBHSA-N 0 0 212.270 2.362 10 0 BEAERN CCCc1nccnc1NCCCOCC ZINC000663315384 410108263 /nfs/dbraw/zinc/10/82/63/410108263.db2.gz JHUUMFUBOQAEHR-UHFFFAOYSA-N 0 0 223.320 2.268 10 0 BEAERN Brc1ccc(-n2cccn2)cn1 ZINC000072192994 166097893 /nfs/dbraw/zinc/09/78/93/166097893.db2.gz NNUFYLIOKMDQDS-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cccc([C@H]2[NH2+]CCCO2)c1 ZINC000049830859 166101109 /nfs/dbraw/zinc/10/11/09/166101109.db2.gz VIVBYMPAUYINMV-JTQLQIEISA-N 0 0 242.116 2.458 10 0 BEAERN Brc1cccc2nnsc21 ZINC000082370629 166101586 /nfs/dbraw/zinc/10/15/86/166101586.db2.gz XACDEEWYFGMTMO-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN CC1CC(C(=O)N[C@@H]2CNc3ccccc3C2)C1 ZINC000653208850 410165999 /nfs/dbraw/zinc/16/59/99/410165999.db2.gz TVLBRDSSCPLEJJ-GDKBPFBDSA-N 0 0 244.338 2.186 10 0 BEAERN CCCc1nccnc1NC[C@H]1C[C@H]1C ZINC000663389675 410176517 /nfs/dbraw/zinc/17/65/17/410176517.db2.gz UGADHEHFUGVGFE-NXEZZACHSA-N 0 0 205.305 2.497 10 0 BEAERN CCCc1nccnc1NC[C@@H]1C[C@H]1C ZINC000663389678 410176792 /nfs/dbraw/zinc/17/67/92/410176792.db2.gz UGADHEHFUGVGFE-ZJUUUORDSA-N 0 0 205.305 2.497 10 0 BEAERN Brc1cnc(-n2ccnc2)s1 ZINC000044117852 166104437 /nfs/dbraw/zinc/10/44/37/166104437.db2.gz NAOLPISHAKGHFK-UHFFFAOYSA-N 0 0 230.090 2.091 10 0 BEAERN CC1(C)CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000128233955 410194789 /nfs/dbraw/zinc/19/47/89/410194789.db2.gz VWKVYFKGALAPJM-JTQLQIEISA-N 0 0 225.332 2.108 10 0 BEAERN Brc1cnc(-c2cscn2)cn1 ZINC000044117585 166105147 /nfs/dbraw/zinc/10/51/47/166105147.db2.gz BMNWXOMSHKFJEC-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Brc1cn(C2CCCC2)nn1 ZINC000095762331 166105148 /nfs/dbraw/zinc/10/51/48/166105148.db2.gz RLWYIUCOAGQDRI-UHFFFAOYSA-N 0 0 216.082 2.156 10 0 BEAERN CCN(CC)C(=O)c1c(N)sc2c1CCC2 ZINC000104277267 169759304 /nfs/dbraw/zinc/75/93/04/169759304.db2.gz YLOHYZMOBHVIAG-UHFFFAOYSA-N 0 0 238.356 2.301 10 0 BEAERN CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000122017195 166476327 /nfs/dbraw/zinc/47/63/27/166476327.db2.gz ZRWYJOMHBMYKSI-TVQRCGJNSA-N 0 0 247.294 2.395 10 0 BEAERN CC(C)(C(=O)N1CCCC1)c1ccc(N)cc1 ZINC000082697323 166503372 /nfs/dbraw/zinc/50/33/72/166503372.db2.gz LJDQJLFZMJVZQS-UHFFFAOYSA-N 0 0 232.327 2.169 10 0 BEAERN CC(C)(C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000036944079 166536422 /nfs/dbraw/zinc/53/64/22/166536422.db2.gz MUSYWCXHDYHZFW-UHFFFAOYSA-N 0 0 233.267 2.246 10 0 BEAERN CC(C)(C)OC(=O)CSc1ncccc1N ZINC000037190360 166641163 /nfs/dbraw/zinc/64/11/63/166641163.db2.gz NVVFXYBNXAMXQY-UHFFFAOYSA-N 0 0 240.328 2.098 10 0 BEAERN CC(C)(C)OC(=O)N1Cc2c[nH]nc2C2(CC2)C1 ZINC000095803945 166658224 /nfs/dbraw/zinc/65/82/24/166658224.db2.gz MDHVKAOJGYWVCQ-UHFFFAOYSA-N 0 0 249.314 2.192 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1O[C@H]1c1ccccc1 ZINC000033961935 166672724 /nfs/dbraw/zinc/67/27/24/166672724.db2.gz LKKOTPSFKLPCQF-WDEREUQCSA-N 0 0 220.268 2.468 10 0 BEAERN CC(C)(C)OC(=O)c1cccc(C(N)=S)c1 ZINC000299805310 166674870 /nfs/dbraw/zinc/67/48/70/166674870.db2.gz ICDHIWNFHHLVRR-UHFFFAOYSA-N 0 0 237.324 2.276 10 0 BEAERN CC(C)C(=O)N1CCCC[C@@H]1c1ccncn1 ZINC000072187567 166706605 /nfs/dbraw/zinc/70/66/05/166706605.db2.gz MRASHAAFZGWACQ-GFCCVEGCSA-N 0 0 233.315 2.186 10 0 BEAERN CC(C)n1ccnc1CN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661547620 410744131 /nfs/dbraw/zinc/74/41/31/410744131.db2.gz YHEMZOCIFIBSAM-VXGBXAGGSA-N 0 0 249.358 2.121 10 0 BEAERN CC(C)CC1(CNC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000124576434 166783385 /nfs/dbraw/zinc/78/33/85/166783385.db2.gz YJXIJVQUJJQEML-RYUDHWBXSA-N 0 0 239.359 2.496 10 0 BEAERN CC(C)CNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117565166 166997254 /nfs/dbraw/zinc/99/72/54/166997254.db2.gz SAFZOWAYROPYQZ-GWCFXTLKSA-N 0 0 233.311 2.323 10 0 BEAERN CC(C)C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000037965290 167015580 /nfs/dbraw/zinc/01/55/80/167015580.db2.gz ACHNEPXLBVFOEQ-ZYHUDNBSSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)CNc1cc2c(cc1N)NC(=O)CC2 ZINC000035341209 167016630 /nfs/dbraw/zinc/01/66/30/167016630.db2.gz QLWQMZBKGSKVGZ-UHFFFAOYSA-N 0 0 233.315 2.221 10 0 BEAERN CC(C)CNc1cccnc1-n1cccn1 ZINC000037122011 167018233 /nfs/dbraw/zinc/01/82/33/167018233.db2.gz MFVULJMDDNSBIN-UHFFFAOYSA-N 0 0 216.288 2.335 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1ccccc1F ZINC000020304675 167082494 /nfs/dbraw/zinc/08/24/94/167082494.db2.gz MLYSZCGOMNIBQK-SECBINFHSA-N 0 0 224.279 2.151 10 0 BEAERN CC(C)NC(=O)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000019428522 167083371 /nfs/dbraw/zinc/08/33/71/167083371.db2.gz BGUPNJLVSQRCQK-JQWIXIFHSA-N 0 0 232.327 2.499 10 0 BEAERN CC(C)NC(=O)c1cc2c(cccc2F)n1C ZINC000040788324 167086172 /nfs/dbraw/zinc/08/61/72/167086172.db2.gz DIFFAAARQDGTMT-UHFFFAOYSA-N 0 0 234.274 2.456 10 0 BEAERN CC(C)NC(=O)c1cc2cc(N)ccc2o1 ZINC000040292194 167086743 /nfs/dbraw/zinc/08/67/43/167086743.db2.gz ZKUNCXREPDZMPL-UHFFFAOYSA-N 0 0 218.256 2.153 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1ccc(F)cc1F ZINC000038115505 167136669 /nfs/dbraw/zinc/13/66/69/167136669.db2.gz SBNJBCTZZSLZFP-LBPRGKRZSA-N 0 0 229.270 2.170 10 0 BEAERN CC(C)[NH2+][C@@](C)(CO)c1ccc(F)c(F)c1 ZINC000038115495 167137135 /nfs/dbraw/zinc/13/71/35/167137135.db2.gz OTQMBDVRGBZMCG-LBPRGKRZSA-N 0 0 229.270 2.170 10 0 BEAERN CC(C)[NH2+][C@](C)(C(=O)[O-])c1ccccc1F ZINC000037183063 167142500 /nfs/dbraw/zinc/14/25/00/167142500.db2.gz QFVTUEUFODOVHW-LBPRGKRZSA-N 0 0 225.263 2.124 10 0 BEAERN CC(C)Nc1cc(-c2ccccn2)[nH]n1 ZINC000062668416 167143019 /nfs/dbraw/zinc/14/30/19/167143019.db2.gz HHMRXMYJLDSAIN-UHFFFAOYSA-N 0 0 202.261 2.292 10 0 BEAERN CC(C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000128567587 167148132 /nfs/dbraw/zinc/14/81/32/167148132.db2.gz RUANATPSPVPIOX-UHFFFAOYSA-N 0 0 202.261 2.292 10 0 BEAERN CC(C)Nc1ncnc(NC(C)(C)C)c1N ZINC000040680422 167151893 /nfs/dbraw/zinc/15/18/93/167151893.db2.gz GRGHCNMTPTYHEZ-UHFFFAOYSA-N 0 0 223.324 2.090 10 0 BEAERN CC(C)OC(=O)c1cc(F)c(F)c(F)c1N ZINC000037475413 167171330 /nfs/dbraw/zinc/17/13/30/167171330.db2.gz QHHGYPGDZZABMZ-UHFFFAOYSA-N 0 0 233.189 2.251 10 0 BEAERN CC(C)OC(=O)c1c(N)cc(F)c(F)c1F ZINC000061119439 167171891 /nfs/dbraw/zinc/17/18/91/167171891.db2.gz QMIFONIHQPVUFG-UHFFFAOYSA-N 0 0 233.189 2.251 10 0 BEAERN CC(C)OCc1cc(C(N)=S)ccc1F ZINC000019505124 167270813 /nfs/dbraw/zinc/27/08/13/167270813.db2.gz UAONPMOALWEALK-UHFFFAOYSA-N 0 0 227.304 2.385 10 0 BEAERN CC(C)OC[C@H](O)c1ccc(F)c(F)c1 ZINC000086519363 167272114 /nfs/dbraw/zinc/27/21/14/167272114.db2.gz MBISSGUSVKSDTE-NSHDSACASA-N 0 0 216.227 2.423 10 0 BEAERN CC(C)O[C@@H](C)C(=O)Nc1ccccc1N ZINC000054036090 167280635 /nfs/dbraw/zinc/28/06/35/167280635.db2.gz CWZYDTXLMKVZLK-VIFPVBQESA-N 0 0 222.288 2.021 10 0 BEAERN CC(C)Oc1ccc(C(=O)n2ccnc2)cc1 ZINC000073711192 167292648 /nfs/dbraw/zinc/29/26/48/167292648.db2.gz PSBSADQNSNEONQ-UHFFFAOYSA-N 0 0 230.267 2.359 10 0 BEAERN CC(C)Oc1ccc([C@@H]([NH2+]C2CC2)C(=O)[O-])cc1 ZINC000037742838 167298863 /nfs/dbraw/zinc/29/88/63/167298863.db2.gz QYOPUJPMWUWLFO-CYBMUJFWSA-N 0 0 249.310 2.352 10 0 BEAERN CC(C)Oc1ccc([C@H](C(=O)[O-])[NH+](C)C)cc1 ZINC000037742910 167301042 /nfs/dbraw/zinc/30/10/42/167301042.db2.gz ODZQNVNBHNUHDW-GFCCVEGCSA-N 0 0 237.299 2.161 10 0 BEAERN CC(C)Oc1cccc(-c2nc(CO)c[nH]2)c1 ZINC000062820636 167305437 /nfs/dbraw/zinc/30/54/37/167305437.db2.gz GHQDFCNJKJHADG-UHFFFAOYSA-N 0 0 232.283 2.356 10 0 BEAERN CC(C)Oc1cccc(C(=O)Nc2ncc[nH]2)c1 ZINC000104108049 167305465 /nfs/dbraw/zinc/30/54/65/167305465.db2.gz RFRRTMFWBRLTPO-UHFFFAOYSA-N 0 0 245.282 2.449 10 0 BEAERN CC(C)Oc1nc(Cl)nc(N[C@H]2C[C@H]2C)n1 ZINC000061542340 167312556 /nfs/dbraw/zinc/31/25/56/167312556.db2.gz PBGCTKDKNKZKOY-RQJHMYQMSA-N 0 0 242.710 2.133 10 0 BEAERN CC(C)Sc1cc(C(N)=S)ccn1 ZINC000199208198 167335048 /nfs/dbraw/zinc/33/50/48/167335048.db2.gz KCOVEGQDTQCAAB-UHFFFAOYSA-N 0 0 212.343 2.216 10 0 BEAERN CC(C)SCc1ccc(C(N)=O)cc1N ZINC000037685526 167336102 /nfs/dbraw/zinc/33/61/02/167336102.db2.gz ASQBNBUKZAFXKM-UHFFFAOYSA-N 0 0 224.329 2.009 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114407678 167358378 /nfs/dbraw/zinc/35/83/78/167358378.db2.gz NKKADVWIKUIIOZ-JQWIXIFHSA-N 0 0 249.358 2.065 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CC1(O)CCCCC1 ZINC000114165186 167370813 /nfs/dbraw/zinc/37/08/13/167370813.db2.gz DDUPWIWCEYYLIF-LLVKDONJSA-N 0 0 227.348 2.232 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000336100247 167374561 /nfs/dbraw/zinc/37/45/61/167374561.db2.gz QYCKCMBBXUCNTO-WDEREUQCSA-N 0 0 242.363 2.240 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cc(Cl)cn1C ZINC000025976610 167378520 /nfs/dbraw/zinc/37/85/20/167378520.db2.gz AWUXCAGFJGWGNZ-MRVPVSSYSA-N 0 0 228.723 2.453 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cc(N)ccc1F ZINC000035651495 167378789 /nfs/dbraw/zinc/37/87/89/167378789.db2.gz XXKHMIMIQNRBME-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H]1OCCc2ccccc21 ZINC000136572983 167379042 /nfs/dbraw/zinc/37/90/42/167379042.db2.gz PTOGCZZKTLGSJF-RISCZKNCSA-N 0 0 247.338 2.461 10 0 BEAERN CC(C)c1c(O)cccc1C(=O)N(C)C ZINC000095710269 167554702 /nfs/dbraw/zinc/55/47/02/167554702.db2.gz CXPPHMBBSGIEGZ-UHFFFAOYSA-N 0 0 207.273 2.217 10 0 BEAERN CC(C)c1ccc(N2C[C@H](CO)CC2=O)cc1 ZINC000011893519 167603167 /nfs/dbraw/zinc/60/31/67/167603167.db2.gz HYDBVOZAWMQMSG-LLVKDONJSA-N 0 0 233.311 2.155 10 0 BEAERN CC(C)c1ccc(NC(=O)c2n[nH]cc2N)cc1 ZINC000062810714 167605375 /nfs/dbraw/zinc/60/53/75/167605375.db2.gz IOKCCPPNQHTSAX-UHFFFAOYSA-N 0 0 244.298 2.368 10 0 BEAERN CC(C)c1ccc(NC[C@H](C)C(N)=O)cc1 ZINC000037227240 167606773 /nfs/dbraw/zinc/60/67/73/167606773.db2.gz HTFMIYYSCVMEMC-JTQLQIEISA-N 0 0 220.316 2.343 10 0 BEAERN CC(C)c1ccc(OCCC(=O)CO)cc1 ZINC000071524391 167609045 /nfs/dbraw/zinc/60/90/45/167609045.db2.gz WHWAXPDMWYMSKS-UHFFFAOYSA-N 0 0 222.284 2.140 10 0 BEAERN CCCc1cc(C(=O)N[C@H](C)C(C)C)[nH]n1 ZINC000044225117 411133298 /nfs/dbraw/zinc/13/32/98/411133298.db2.gz CRVAAUMQULLTOP-SECBINFHSA-N 0 0 223.320 2.137 10 0 BEAERN CC[NH+](CC)[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000016844113 169799483 /nfs/dbraw/zinc/79/94/83/169799483.db2.gz ZNLHSWPOHHBDHR-LBPRGKRZSA-N 0 0 221.300 2.463 10 0 BEAERN CC(C)c1ccccc1NCCN1CCNC1=O ZINC000020044540 167641486 /nfs/dbraw/zinc/64/14/86/167641486.db2.gz NMTOVISANPEJAG-UHFFFAOYSA-N 0 0 247.342 2.247 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1F ZINC000044623558 411138816 /nfs/dbraw/zinc/13/88/16/411138816.db2.gz FHEKMFKEWKFCQO-JTQLQIEISA-N 0 0 243.253 2.260 10 0 BEAERN Cc1cccc(CN2N=C3CCC[C@@H]3C2=O)c1 ZINC000109361934 411150472 /nfs/dbraw/zinc/15/04/72/411150472.db2.gz JEVGSCUORJZZGJ-LBPRGKRZSA-N 0 0 228.295 2.493 10 0 BEAERN CC(C)c1ncc(N(C)C[C@H]2C[C@H]2C)c(CO)n1 ZINC000104409462 167685767 /nfs/dbraw/zinc/68/57/67/167685767.db2.gz PBDFPLIVAQHRPY-GHMZBOCLSA-N 0 0 249.358 2.185 10 0 BEAERN CC(C)c1nnc(NC2CCC(O)CC2)s1 ZINC000301682434 167710862 /nfs/dbraw/zinc/71/08/62/167710862.db2.gz VSFKYUPRSZGQJS-UHFFFAOYSA-N 0 0 241.360 2.377 10 0 BEAERN CC(C)c1nnc(NCc2cncnc2)s1 ZINC000134436908 167712959 /nfs/dbraw/zinc/71/29/59/167712959.db2.gz FMTYXNVWUMITRP-UHFFFAOYSA-N 0 0 235.316 2.064 10 0 BEAERN C[C@H]1C[C@H]1C(=O)NCCc1ccsc1 ZINC000046243380 411188393 /nfs/dbraw/zinc/18/83/93/411188393.db2.gz KVPXOWCVTHPPHF-WCBMZHEXSA-N 0 0 209.314 2.063 10 0 BEAERN CC(C)n1ccnc(NCC2CCC2)c1=O ZINC000061762648 167769673 /nfs/dbraw/zinc/76/96/73/167769673.db2.gz BXTKGNXKOMSSAR-UHFFFAOYSA-N 0 0 221.304 2.036 10 0 BEAERN CC(C)n1cccc1C(=O)N[C@H]1C[C@H]1C ZINC000121381166 167770301 /nfs/dbraw/zinc/77/03/01/167770301.db2.gz FUOUSKMGLNLVOF-ZJUUUORDSA-N 0 0 206.289 2.207 10 0 BEAERN CC(C)n1cnnc1-c1cc(F)c(F)cc1N ZINC000061564121 167782927 /nfs/dbraw/zinc/78/29/27/167782927.db2.gz HHDLLWHUABPIFB-UHFFFAOYSA-N 0 0 238.241 2.386 10 0 BEAERN COCC1(CNc2nccnc2C(C)C)CC1 ZINC000656213074 411211573 /nfs/dbraw/zinc/21/15/73/411211573.db2.gz NNYULYNZPIAVDD-UHFFFAOYSA-N 0 0 235.331 2.439 10 0 BEAERN CC[C@H](C)[C@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521401068 411211610 /nfs/dbraw/zinc/21/16/10/411211610.db2.gz FNWCANIMLRXFTH-BIIVOSGPSA-N 0 0 241.253 2.403 10 0 BEAERN CC(C)n1nnnc1CN1[C@@H](C)CCC[C@@H]1C ZINC000108864378 167804724 /nfs/dbraw/zinc/80/47/24/167804724.db2.gz KAOAKSOBCMXKAU-QWRGUYRKSA-N 0 0 237.351 2.017 10 0 BEAERN CCc1cc(NC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000049138781 411226724 /nfs/dbraw/zinc/22/67/24/411226724.db2.gz FJJMWXOOXOGROB-SECBINFHSA-N 0 0 219.288 2.267 10 0 BEAERN CCCCCC(=O)Nc1cc(CC)[nH]n1 ZINC000049139258 411226964 /nfs/dbraw/zinc/22/69/64/411226964.db2.gz ATSQPWZAANVRHL-UHFFFAOYSA-N 0 0 209.293 2.491 10 0 BEAERN Cc1cc(NC(C)(C)COC(C)C)ncn1 ZINC000396363430 411265595 /nfs/dbraw/zinc/26/55/95/411265595.db2.gz KEJAFNRLMTVACB-UHFFFAOYSA-N 0 0 223.320 2.401 10 0 BEAERN CSCC(=O)N1CCc2ccc(F)cc21 ZINC000058741490 411272280 /nfs/dbraw/zinc/27/22/80/411272280.db2.gz NMOIPJWCRYCUTB-UHFFFAOYSA-N 0 0 225.288 2.078 10 0 BEAERN CC/C=C\CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000346185515 167859366 /nfs/dbraw/zinc/85/93/66/167859366.db2.gz HHQZJVATYDBVKO-OPVGQWETSA-N 0 0 233.311 2.294 10 0 BEAERN CCn1cc(Cn2cnc3c2CCCC3)cn1 ZINC000130439608 411298741 /nfs/dbraw/zinc/29/87/41/411298741.db2.gz MCLCBNHFUUGXNJ-UHFFFAOYSA-N 0 0 230.315 2.027 10 0 BEAERN O=C(NC1CCC1)c1ccc2c(c1)CCCN2 ZINC000052211084 411302637 /nfs/dbraw/zinc/30/26/37/411302637.db2.gz CUMCOYVINKTBKI-UHFFFAOYSA-N 0 0 230.311 2.327 10 0 BEAERN CC(C)CN(CC(C)C)C(=O)c1ncccc1N ZINC000132348515 411319399 /nfs/dbraw/zinc/31/93/99/411319399.db2.gz XUXQIJJKGGSBTO-UHFFFAOYSA-N 0 0 249.358 2.418 10 0 BEAERN CC1(C)CC[NH+]([C@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000062756837 167923284 /nfs/dbraw/zinc/92/32/84/167923284.db2.gz YYUKZRZNTKDTEP-QWRGUYRKSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1Cc1csnn1 ZINC000127782401 411252951 /nfs/dbraw/zinc/25/29/51/411252951.db2.gz XKZIGYIRYRCFRP-DTWKUNHWSA-N 0 0 211.334 2.159 10 0 BEAERN CSCC(=O)N(C)CCc1ccc(F)cc1 ZINC000055369193 411259574 /nfs/dbraw/zinc/25/95/74/411259574.db2.gz WBNIHGSCSTUIPW-UHFFFAOYSA-N 0 0 241.331 2.190 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@@H]2CCC(=O)NC2)n1 ZINC000329592870 167991271 /nfs/dbraw/zinc/99/12/71/167991271.db2.gz UMEMEGPCTUAVCT-HTQZYQBOSA-N 0 0 235.287 2.417 10 0 BEAERN Clc1nnc(-c2ncccc2Cl)o1 ZINC000575596527 411341559 /nfs/dbraw/zinc/34/15/59/411341559.db2.gz LZWILNXHSGKJPW-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN CC1(CCNc2ncccc2Cl)OCCO1 ZINC000302142063 168022872 /nfs/dbraw/zinc/02/28/72/168022872.db2.gz FJOMUYYARFDUDD-UHFFFAOYSA-N 0 0 242.706 2.300 10 0 BEAERN CC1(CNC(=O)CC2(C)CCCCC2)COC1 ZINC000123465029 168028455 /nfs/dbraw/zinc/02/84/55/168028455.db2.gz JRFUEDFIRYENJG-UHFFFAOYSA-N 0 0 239.359 2.500 10 0 BEAERN CC1(CNC(=O)NC2(C)CCCCC2)COC1 ZINC000116551568 168032567 /nfs/dbraw/zinc/03/25/67/168032567.db2.gz WNNVFSRBCPJHCU-UHFFFAOYSA-N 0 0 240.347 2.045 10 0 BEAERN CC1(CNC(=O)[C@@H]2CCCn3ccnc32)CCC1 ZINC000175130896 168034800 /nfs/dbraw/zinc/03/48/00/168034800.db2.gz HYPPFKPBAFKHEA-LLVKDONJSA-N 0 0 247.342 2.067 10 0 BEAERN CC1(c2n[nH]cc2Br)CC1 ZINC000087366971 168073021 /nfs/dbraw/zinc/07/30/21/168073021.db2.gz ZHSMHQPNNJJNRU-UHFFFAOYSA-N 0 0 201.067 2.224 10 0 BEAERN CC1=C(C(=O)N2[C@@H](C)COC[C@@H]2C)CCC1 ZINC000336550243 168076981 /nfs/dbraw/zinc/07/69/81/168076981.db2.gz LVONQIPYTAMHMG-QWRGUYRKSA-N 0 0 223.316 2.123 10 0 BEAERN CC1=N/C(=C/c2ccc(F)c(F)c2)C(=O)O1 ZINC000098091982 168132560 /nfs/dbraw/zinc/13/25/60/168132560.db2.gz OJWMIWZGTIBSDV-BJMVGYQFSA-N 0 0 223.178 2.281 10 0 BEAERN CC1=NN(c2ccccc2N)C(=O)[C@@H]1C(C)C ZINC000061687677 168135073 /nfs/dbraw/zinc/13/50/73/168135073.db2.gz LBGMETQTNRWSEJ-GFCCVEGCSA-N 0 0 231.299 2.264 10 0 BEAERN CC1CCC(N(C)c2ncc(N)cn2)CC1 ZINC000042473038 168160247 /nfs/dbraw/zinc/16/02/47/168160247.db2.gz JXWBVVOTESEHIG-UHFFFAOYSA-N 0 0 220.320 2.074 10 0 BEAERN CC1CCN(C(=O)N2CCS[C@@H](C)C2)CC1 ZINC000127848867 168173093 /nfs/dbraw/zinc/17/30/93/168173093.db2.gz NBTNTJJFYXGPHE-NSHDSACASA-N 0 0 242.388 2.276 10 0 BEAERN CC1CCN(C(=O)N2CCSC[C@@H]2C)CC1 ZINC000127435236 168173567 /nfs/dbraw/zinc/17/35/67/168173567.db2.gz WBTPNPXERFXFGB-NSHDSACASA-N 0 0 242.388 2.276 10 0 BEAERN CCC(=O)N(Cc1cccc(N)c1)C1CC1 ZINC000035366146 168213721 /nfs/dbraw/zinc/21/37/21/168213721.db2.gz VYEGNQYEAXCBEG-UHFFFAOYSA-N 0 0 218.300 2.170 10 0 BEAERN CCC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000013781235 168237361 /nfs/dbraw/zinc/23/73/61/168237361.db2.gz PGUPSDWJGZRTBH-GFCCVEGCSA-N 0 0 203.285 2.070 10 0 BEAERN CCC(=O)Nc1cccc2c1CCCN2 ZINC000019271791 168247617 /nfs/dbraw/zinc/24/76/17/168247617.db2.gz QEFWDMAEYFYWMS-UHFFFAOYSA-N 0 0 204.273 2.393 10 0 BEAERN CCC(=O)[C@@H](C)CNC(=O)c1ccc(OC)cc1 ZINC000005711045 168250878 /nfs/dbraw/zinc/25/08/78/168250878.db2.gz OTIMCKSOSNNBEJ-JTQLQIEISA-N 0 0 249.310 2.040 10 0 BEAERN CCC(=O)[C@H](C)c1nc(-c2ccncc2)no1 ZINC000104165208 168254033 /nfs/dbraw/zinc/25/40/33/168254033.db2.gz PPHYVFRTIUNICS-QMMMGPOBSA-N 0 0 231.255 2.214 10 0 BEAERN CCC(C)(C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000005501120 168263742 /nfs/dbraw/zinc/26/37/42/168263742.db2.gz HIYBBBIXMTUMBP-UWVGGRQHSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(C)(C)C(=O)Nc1ccncc1N ZINC000062725811 168269049 /nfs/dbraw/zinc/26/90/49/168269049.db2.gz KBSZUIIIESHUFC-UHFFFAOYSA-N 0 0 207.277 2.039 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(N)cc1C ZINC000044748004 168296615 /nfs/dbraw/zinc/29/66/15/168296615.db2.gz CPNRXBRZWMKSGR-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN CCC(C)(C)NC(=O)c1cc(N)ccc1F ZINC000035651221 168296748 /nfs/dbraw/zinc/29/67/48/168296748.db2.gz YNXFRKQHIKJZCD-UHFFFAOYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC(C)(C)NC(=O)c1c(C)cccc1N ZINC000022171609 168296932 /nfs/dbraw/zinc/29/69/32/168296932.db2.gz YEEARTYLHLFAJT-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN CCC(C)(C)Oc1ccc(N)c2nonc21 ZINC000035675962 168304311 /nfs/dbraw/zinc/30/43/11/168304311.db2.gz GNOLITHXDYKTRK-UHFFFAOYSA-N 0 0 221.260 2.372 10 0 BEAERN CCC(C)(C)[C@H](O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000054404064 168304526 /nfs/dbraw/zinc/30/45/26/168304526.db2.gz JEHLZLQXCGWKKK-LLVKDONJSA-N 0 0 234.299 2.326 10 0 BEAERN CCN(CCc1ccccc1)C(=O)[C@H](C)COC ZINC000171443226 169873884 /nfs/dbraw/zinc/87/38/84/169873884.db2.gz UQKOUSPYLMEGPI-CYBMUJFWSA-N 0 0 249.354 2.360 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H](C)CCCO)n1 ZINC000122494737 411434141 /nfs/dbraw/zinc/43/41/41/411434141.db2.gz CTLGVUXWHSCGIT-SNVBAGLBSA-N 0 0 237.347 2.481 10 0 BEAERN c1ccc([C@H]2C[C@@H]2Nc2ncccn2)cc1 ZINC000044416453 411497879 /nfs/dbraw/zinc/49/78/79/411497879.db2.gz PNEWLOSVTBWFAV-NEPJUHHUSA-N 0 0 211.268 2.445 10 0 BEAERN CCNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000048728864 170082880 /nfs/dbraw/zinc/08/28/80/170082880.db2.gz VBFQPAAEMAMBBJ-MRVPVSSYSA-N 0 0 240.278 2.214 10 0 BEAERN CCNC(=O)Nc1cccc2c1CCCN2 ZINC000036949280 170085331 /nfs/dbraw/zinc/08/53/31/170085331.db2.gz MIUIWHMYKZJRNA-UHFFFAOYSA-N 0 0 219.288 2.186 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(F)c(F)cc1F ZINC000061094086 170088826 /nfs/dbraw/zinc/08/88/26/170088826.db2.gz HXRISUTYLBRFHA-ZCFIWIBFSA-N 0 0 246.232 2.040 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(Cl)c(F)c1 ZINC000042580097 170089234 /nfs/dbraw/zinc/08/92/34/170089234.db2.gz JNCIDSYYNCYTKQ-SSDOTTSWSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1F ZINC000020306808 170089421 /nfs/dbraw/zinc/08/94/21/170089421.db2.gz MTSPPNPSYDFQFD-SSDOTTSWSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccccc1Cl ZINC000020306549 170096630 /nfs/dbraw/zinc/09/66/30/170096630.db2.gz NJQUUBWBGIRIPU-QMMMGPOBSA-N 0 0 226.707 2.277 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(Cl)c(F)c1 ZINC000042580099 170096772 /nfs/dbraw/zinc/09/67/72/170096772.db2.gz JNCIDSYYNCYTKQ-ZETCQYMHSA-N 0 0 244.697 2.416 10 0 BEAERN CCN[C@@H](C)c1csc(NC(=O)CC)n1 ZINC000076784999 170142719 /nfs/dbraw/zinc/14/27/19/170142719.db2.gz JDIIOOMNZGUDOF-ZETCQYMHSA-N 0 0 227.333 2.162 10 0 BEAERN CC[NH2+][C@@](C)(C(=O)[O-])c1ccc(C)c(C)c1 ZINC000037181636 170154723 /nfs/dbraw/zinc/15/47/23/170154723.db2.gz PVPLNTNSTAZURL-CYBMUJFWSA-N 0 0 221.300 2.213 10 0 BEAERN CC[NH2+][C@@](C)(C(=O)[O-])c1ccc(C)cc1C ZINC000037181359 170155051 /nfs/dbraw/zinc/15/50/51/170155051.db2.gz SKZCRGLQOGKNQA-CYBMUJFWSA-N 0 0 221.300 2.213 10 0 BEAERN CC[NH2+][C@@](C)(CO)c1ccc(Cl)cc1 ZINC000038120160 170155466 /nfs/dbraw/zinc/15/54/66/170155466.db2.gz ZJYKDAIZXAFGGL-NSHDSACASA-N 0 0 213.708 2.157 10 0 BEAERN CCN[C@@]1(C(=O)OC)C[C@@H](C)CC(C)(C)C1 ZINC000037446815 170156559 /nfs/dbraw/zinc/15/65/59/170156559.db2.gz XKYGWQYMCXBNBN-GWCFXTLKSA-N 0 0 227.348 2.354 10 0 BEAERN CCN[C@](C)(C(=O)OCC)c1ccc(F)cc1 ZINC000037447061 170170902 /nfs/dbraw/zinc/17/09/02/170170902.db2.gz WIAMQURRFHZGFL-ZDUSSCGKSA-N 0 0 239.290 2.214 10 0 BEAERN CCNc1c(F)cccc1C(=O)NC1CC1 ZINC000054205869 170171259 /nfs/dbraw/zinc/17/12/59/170171259.db2.gz QNMUHXIYZAFGRE-UHFFFAOYSA-N 0 0 222.263 2.150 10 0 BEAERN CCNc1cc(C(=O)NC2CC2)cc(Cl)n1 ZINC000050725537 170171379 /nfs/dbraw/zinc/17/13/79/170171379.db2.gz NCITWQSXOYFFDH-UHFFFAOYSA-N 0 0 239.706 2.059 10 0 BEAERN CCNc1cc(C)nc(-c2ccncc2)n1 ZINC000050308671 170172115 /nfs/dbraw/zinc/17/21/15/170172115.db2.gz XDZRCFFAGPKBCD-UHFFFAOYSA-N 0 0 214.272 2.279 10 0 BEAERN CCNc1ccc(-c2ccc(O)cc2)nn1 ZINC000054931165 170172798 /nfs/dbraw/zinc/17/27/98/170172798.db2.gz RWTUOMBTCARXCO-UHFFFAOYSA-N 0 0 215.256 2.281 10 0 BEAERN CCNc1ccnc(Cc2csc(C)n2)n1 ZINC000055296691 170175389 /nfs/dbraw/zinc/17/53/89/170175389.db2.gz ZRMXEJQIIXPUPI-UHFFFAOYSA-N 0 0 234.328 2.264 10 0 BEAERN CCNc1ccnc(C(=O)NC(C)(C)CC)c1 ZINC000050724389 170175531 /nfs/dbraw/zinc/17/55/31/170175531.db2.gz FXZPEZRDJXWJHF-UHFFFAOYSA-N 0 0 235.331 2.432 10 0 BEAERN CCNc1nc([C@H]2CCOC2)nc(C)c1C ZINC000051691667 170176578 /nfs/dbraw/zinc/17/65/78/170176578.db2.gz QIXALZIFKVPSEG-JTQLQIEISA-N 0 0 221.304 2.029 10 0 BEAERN CCNc1nc2ccccc2n2c(CC)nnc12 ZINC000000004616 170177797 /nfs/dbraw/zinc/17/77/97/170177797.db2.gz CHGBCRZJIYWPIX-UHFFFAOYSA-N 0 0 241.298 2.272 10 0 BEAERN CCNc1ncnc(N(C)c2ccccc2)c1N ZINC000040707310 170178384 /nfs/dbraw/zinc/17/83/84/170178384.db2.gz BPFXYKQOKUMQLP-UHFFFAOYSA-N 0 0 243.314 2.259 10 0 BEAERN CCNc1ncccc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000050755289 170178657 /nfs/dbraw/zinc/17/86/57/170178657.db2.gz WQUHRFDGPYMSIO-JTQLQIEISA-N 0 0 247.342 2.384 10 0 BEAERN CCOC(=N)c1cc(OC)c(OC)cc1OC ZINC000037928131 170179935 /nfs/dbraw/zinc/17/99/35/170179935.db2.gz HYSUTXVXJNBESG-UHFFFAOYSA-N 0 0 239.271 2.074 10 0 BEAERN CCOC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000020184875 170183953 /nfs/dbraw/zinc/18/39/53/170183953.db2.gz DPFZZLSEANVIOP-UHFFFAOYSA-N 0 0 249.310 2.486 10 0 BEAERN CCOC(=O)C(=O)c1ccc(OC(C)C)cc1 ZINC000042898754 170184911 /nfs/dbraw/zinc/18/49/11/170184911.db2.gz CONHQSITOPBBLW-UHFFFAOYSA-N 0 0 236.267 2.220 10 0 BEAERN CCOC(=O)C(Br)=C(C)C ZINC000038875556 170185498 /nfs/dbraw/zinc/18/54/98/170185498.db2.gz QXBRKARECIOFMU-UHFFFAOYSA-N 0 0 207.067 2.238 10 0 BEAERN CCOC(=O)C(C(=O)OCC)[C@@H]1C=CCCC1 ZINC000004792326 170185601 /nfs/dbraw/zinc/18/56/01/170185601.db2.gz QAPHYQDNTJEPAD-SNVBAGLBSA-N 0 0 240.299 2.085 10 0 BEAERN CCOC(=O)C1=C(C)O[C@H]2C=CCC[C@H]12 ZINC000039105687 170191312 /nfs/dbraw/zinc/19/13/12/170191312.db2.gz LVGWHOVCXNYTGP-UWVGGRQHSA-N 0 0 208.257 2.189 10 0 BEAERN CCOC(=O)CCNc1cccnc1Cl ZINC000071716091 170209742 /nfs/dbraw/zinc/20/97/42/170209742.db2.gz KDDMSQRRRMAUHF-UHFFFAOYSA-N 0 0 228.679 2.100 10 0 BEAERN CCOC(=O)CN(C(=O)OCC(C)C)C(C)C ZINC000038013307 170212703 /nfs/dbraw/zinc/21/27/03/170212703.db2.gz PVBVYYRPYBUPCZ-UHFFFAOYSA-N 0 0 245.319 2.053 10 0 BEAERN CCOC(=O)CNCC1CCC(CC)CC1 ZINC000037905644 170225378 /nfs/dbraw/zinc/22/53/78/170225378.db2.gz ZNLCDXOGQUEZBI-UHFFFAOYSA-N 0 0 227.348 2.356 10 0 BEAERN CCOC(=O)CNCc1cccc2ccccc21 ZINC000037563476 170225793 /nfs/dbraw/zinc/22/57/93/170225793.db2.gz WKLXVRQXMMUVJD-UHFFFAOYSA-N 0 0 243.306 2.493 10 0 BEAERN CCOC(=O)CN[C@@H](CC)c1cccs1 ZINC000037472527 170226166 /nfs/dbraw/zinc/22/61/66/170226166.db2.gz STSCRUHPXADQSJ-VIFPVBQESA-N 0 0 227.329 2.352 10 0 BEAERN CCOC(=O)CSc1ccc([C@@H](C)O)cc1 ZINC000082616864 170229879 /nfs/dbraw/zinc/22/98/79/170229879.db2.gz ZAYMVLHANSCUMM-SECBINFHSA-N 0 0 240.324 2.395 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(Cl)n1 ZINC000095768925 170235244 /nfs/dbraw/zinc/23/52/44/170235244.db2.gz MAQNHFPITVYXKA-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000034956293 170237070 /nfs/dbraw/zinc/23/70/70/170237070.db2.gz BJBVNKQUAXHXJG-QMMMGPOBSA-N 0 0 239.340 2.374 10 0 BEAERN CCOC(=O)N(C)Cc1ccc(F)cc1 ZINC000070237336 170237771 /nfs/dbraw/zinc/23/77/71/170237771.db2.gz PJIDCAVKNJYBPH-UHFFFAOYSA-N 0 0 211.236 2.414 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1OCC ZINC000039100171 170239305 /nfs/dbraw/zinc/23/93/05/170239305.db2.gz ICYFWSHLUBNHJG-JTQLQIEISA-N 0 0 215.293 2.382 10 0 BEAERN CCOC(=O)NCCc1c[nH]c2ccccc12 ZINC000070237415 170241942 /nfs/dbraw/zinc/24/19/42/170241942.db2.gz LLSIXJRIBKKKIR-UHFFFAOYSA-N 0 0 232.283 2.457 10 0 BEAERN CCOC(=O)Nc1c(N)ccc(C)c1C ZINC000036744024 170243215 /nfs/dbraw/zinc/24/32/15/170243215.db2.gz WQQFWRSNZSYHLC-UHFFFAOYSA-N 0 0 208.261 2.454 10 0 BEAERN CCOC(=O)Nc1ccc(N(C)C)cc1 ZINC000005325892 170243718 /nfs/dbraw/zinc/24/37/18/170243718.db2.gz UPNAYWDOKCELRE-UHFFFAOYSA-N 0 0 208.261 2.321 10 0 BEAERN CCOC(=O)[C@@H](CC)NC1(C(C)C)CC1 ZINC000339516400 170251152 /nfs/dbraw/zinc/25/11/52/170251152.db2.gz ONTHTBDCGAXYQV-SNVBAGLBSA-N 0 0 213.321 2.106 10 0 BEAERN CCOC(=O)[C@@H](NC)c1cc(Cl)ccc1F ZINC000076186935 170254922 /nfs/dbraw/zinc/25/49/22/170254922.db2.gz LUJPWPGVZJTGBW-JTQLQIEISA-N 0 0 245.681 2.303 10 0 BEAERN CCOC(=O)[C@@H](NCC1CC1)c1ccsc1 ZINC000037968187 170255796 /nfs/dbraw/zinc/25/57/96/170255796.db2.gz SZLVEBWEFVWCTQ-NSHDSACASA-N 0 0 239.340 2.352 10 0 BEAERN CCOC(=O)[C@@H]1c2ccccc2N[C@@H]1C ZINC000001436113 170260268 /nfs/dbraw/zinc/26/02/68/170260268.db2.gz WNRHFBOGHGIVPX-KCJUWKMLSA-N 0 0 205.257 2.147 10 0 BEAERN CCOC(=O)[C@@](C)(CCc1ccccc1)NC ZINC000037458697 170260341 /nfs/dbraw/zinc/26/03/41/170260341.db2.gz LKEXKXFCOWUNMU-CQSZACIVSA-N 0 0 235.327 2.160 10 0 BEAERN CCOC(=O)[C@@](C)(CC(C)(C)OC)NC(C)C ZINC000037446057 170260473 /nfs/dbraw/zinc/26/04/73/170260473.db2.gz LXZYIYGKMNETJR-CYBMUJFWSA-N 0 0 245.363 2.121 10 0 BEAERN CCOC(=O)[C@@](C)(NC1CCCC1)C1CC1 ZINC000037970578 170261022 /nfs/dbraw/zinc/26/10/22/170261022.db2.gz IZZJSQZCUPDQMF-ZDUSSCGKSA-N 0 0 225.332 2.250 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1ccc(C)c(C)c1 ZINC000037459919 170261165 /nfs/dbraw/zinc/26/11/65/170261165.db2.gz QRXFAOZLOILMJM-ZDUSSCGKSA-N 0 0 221.300 2.040 10 0 BEAERN CCOC(=O)[C@H](C)Nc1ccccc1F ZINC000037963187 170268985 /nfs/dbraw/zinc/26/89/85/170268985.db2.gz GHCCOSUIBYVQBA-QMMMGPOBSA-N 0 0 211.236 2.189 10 0 BEAERN CCOC(=O)[C@H](N)C[C@@H](C)c1ccccc1 ZINC000044339624 170274785 /nfs/dbraw/zinc/27/47/85/170274785.db2.gz CNEPLNXSKZZCMI-ZYHUDNBSSA-N 0 0 221.300 2.071 10 0 BEAERN CCOC(=O)[C@H](N)c1ccc(Cl)c(F)c1 ZINC000049808680 170276225 /nfs/dbraw/zinc/27/62/25/170276225.db2.gz SAEQJTISUUDSCS-SECBINFHSA-N 0 0 231.654 2.042 10 0 BEAERN CCOC(=O)C1=C(O)[C@]2(C)CC[C@H]1C2(C)C ZINC000002560635 170279323 /nfs/dbraw/zinc/27/93/23/170279323.db2.gz ZYSAZWUGDXRNFJ-KKFJDGPESA-N 0 0 224.300 2.191 10 0 BEAERN CCOC(=O)[C@H]1CSc2ccccc2O1 ZINC000147796216 170282415 /nfs/dbraw/zinc/28/24/15/170282415.db2.gz IZHRLFUYIQORDV-SECBINFHSA-N 0 0 224.281 2.103 10 0 BEAERN CCOC(=O)[C@H]1O[C@]1(c1ccccc1)C(C)C ZINC000001696053 170282670 /nfs/dbraw/zinc/28/26/70/170282670.db2.gz WNQZJMXFTURWEQ-OCCSQVGLSA-N 0 0 234.295 2.500 10 0 BEAERN CCOC(=O)[C@H]1c2ccccc2N[C@@H]1C ZINC000001436112 170283174 /nfs/dbraw/zinc/28/31/74/170283174.db2.gz WNRHFBOGHGIVPX-LDYMZIIASA-N 0 0 205.257 2.147 10 0 BEAERN CCOC(=O)c1c(Cl)c(N)nn1[C@H](C)CC ZINC000020314085 170288343 /nfs/dbraw/zinc/28/83/43/170288343.db2.gz DUVUYBTWJGKBEF-ZCFIWIBFSA-N 0 0 245.710 2.266 10 0 BEAERN CCOC(=O)c1c(C)ncn1-c1ccccc1 ZINC000071405169 170288642 /nfs/dbraw/zinc/28/86/42/170288642.db2.gz YSLDCBJTAWYXQK-UHFFFAOYSA-N 0 0 230.267 2.357 10 0 BEAERN CCOC(=O)c1c(Cl)nc(C)cc1OC ZINC000116708785 170289456 /nfs/dbraw/zinc/28/94/56/170289456.db2.gz CMTJZPNOSLOSOG-UHFFFAOYSA-N 0 0 229.663 2.229 10 0 BEAERN CCOC(=O)c1cc(CC)cnc1Cl ZINC000002507120 170291865 /nfs/dbraw/zinc/29/18/65/170291865.db2.gz APQMAOWJHSXJTM-UHFFFAOYSA-N 0 0 213.664 2.474 10 0 BEAERN CCOC(=O)c1cc(N)c(Cl)cc1F ZINC000062350485 170292293 /nfs/dbraw/zinc/29/22/93/170292293.db2.gz MJFNVIWRLZLCCI-UHFFFAOYSA-N 0 0 217.627 2.238 10 0 BEAERN CCOC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000067688898 170294306 /nfs/dbraw/zinc/29/43/06/170294306.db2.gz KZQOZTHDNYWOKU-UHFFFAOYSA-N 0 0 222.269 2.315 10 0 BEAERN CCOC(=O)c1ccc(C(=O)C(F)F)cc1 ZINC000022004334 170295735 /nfs/dbraw/zinc/29/57/35/170295735.db2.gz QYLCGOPGENPNRG-UHFFFAOYSA-N 0 0 228.194 2.311 10 0 BEAERN CCOC(=O)c1ccc(F)c(C2OCCO2)c1 ZINC000095830349 170296019 /nfs/dbraw/zinc/29/60/19/170296019.db2.gz NNVWTQANJMZDKA-UHFFFAOYSA-N 0 0 240.230 2.048 10 0 BEAERN CCOC(=O)c1cccnc1N[C@@H]1C[C@H]1C ZINC000052291862 170300151 /nfs/dbraw/zinc/30/01/51/170300151.db2.gz LVDUCGKPEUZFBD-PSASIEDQSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1cn(-c2cccc(C)c2)cn1 ZINC000015202699 170301115 /nfs/dbraw/zinc/30/11/15/170301115.db2.gz PJLLLJAXSZFMAW-UHFFFAOYSA-N 0 0 230.267 2.357 10 0 BEAERN CCOC(=O)c1cnc(Cl)c2c(C)[nH]nc21 ZINC000089220378 170301214 /nfs/dbraw/zinc/30/12/14/170301214.db2.gz VXUPRRDXAPCQMT-UHFFFAOYSA-N 0 0 239.662 2.096 10 0 BEAERN CCOC(=O)c1cnc(Cl)nc1SC ZINC000088369396 170301500 /nfs/dbraw/zinc/30/15/00/170301500.db2.gz BANQXEHWNVRPSY-UHFFFAOYSA-N 0 0 232.692 2.029 10 0 BEAERN CCOC(=O)c1cnc(CC)nc1C(C)C ZINC000008700222 170301912 /nfs/dbraw/zinc/30/19/12/170301912.db2.gz NMHSQRMCDIMJJI-UHFFFAOYSA-N 0 0 222.288 2.339 10 0 BEAERN CCOC(=O)c1cnn(-c2cccc(F)c2)c1C ZINC000063126508 170303849 /nfs/dbraw/zinc/30/38/49/170303849.db2.gz GFJFJWBDDLOEAR-UHFFFAOYSA-N 0 0 248.257 2.497 10 0 BEAERN CCOC(=O)c1cnn2cc(F)cc2c1Cl ZINC000091692252 170304333 /nfs/dbraw/zinc/30/43/33/170304333.db2.gz KEUHYHFMJPZHEM-UHFFFAOYSA-N 0 0 242.637 2.304 10 0 BEAERN CCOC(=O)c1ncc(C)c2cc[nH]c21 ZINC000089213064 170307463 /nfs/dbraw/zinc/30/74/63/170307463.db2.gz ZGUWROWUTFBFME-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1noc2cc(C)ccc21 ZINC000299890186 170309973 /nfs/dbraw/zinc/30/99/73/170309973.db2.gz VLXFCZVCXLSEDY-UHFFFAOYSA-N 0 0 205.213 2.313 10 0 BEAERN CCOC(=S)c1cnsc1OCC ZINC000039100313 170311547 /nfs/dbraw/zinc/31/15/47/170311547.db2.gz YNKFZZALORVRFU-UHFFFAOYSA-N 0 0 217.315 2.254 10 0 BEAERN CCOC(CCn1nnc2ccccc21)OCC ZINC000104347332 170314279 /nfs/dbraw/zinc/31/42/79/170314279.db2.gz XEQSMLGYNUSZTG-UHFFFAOYSA-N 0 0 249.314 2.221 10 0 BEAERN CCOC(COc1ccccc1C=O)OCC ZINC000095883658 170316118 /nfs/dbraw/zinc/31/61/18/170316118.db2.gz AVFQNQCCLWGODA-UHFFFAOYSA-N 0 0 238.283 2.277 10 0 BEAERN CCOC(Cc1cccnc1)(OCC)OCC ZINC000053132646 170316421 /nfs/dbraw/zinc/31/64/21/170316421.db2.gz BNFMKBKZJJQKNT-UHFFFAOYSA-N 0 0 239.315 2.387 10 0 BEAERN CCOC1=NC2(CCCCC2)SC1=O ZINC000039099979 170320864 /nfs/dbraw/zinc/32/08/64/170320864.db2.gz XQORJMYPNLHSEU-UHFFFAOYSA-N 0 0 213.302 2.355 10 0 BEAERN CCOC1CC(Nc2cccc(C(=O)NC)c2)C1 ZINC000128934965 170330245 /nfs/dbraw/zinc/33/02/45/170330245.db2.gz JRZGDJKQYQPJJJ-UHFFFAOYSA-N 0 0 248.326 2.026 10 0 BEAERN CCOCC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000060625395 170347436 /nfs/dbraw/zinc/34/74/36/170347436.db2.gz UYJXTHSTFWCHMZ-COPLHBTASA-N 0 0 239.359 2.354 10 0 BEAERN CCOCCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110443849 170360961 /nfs/dbraw/zinc/36/09/61/170360961.db2.gz SOBRKAHTUMVPNP-ZIAGYGMSSA-N 0 0 247.338 2.333 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCC[C@H](O)C1 ZINC000663393109 411645427 /nfs/dbraw/zinc/64/54/27/411645427.db2.gz FIQHEMRDKIXCMB-MNOVXSKESA-N 0 0 235.331 2.145 10 0 BEAERN C[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1F ZINC000657810737 411602684 /nfs/dbraw/zinc/60/26/84/411602684.db2.gz JNPGSMMYWXEIMD-KPPDAEKUSA-N 0 0 223.291 2.247 10 0 BEAERN CCO[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000024737742 170505424 /nfs/dbraw/zinc/50/54/24/170505424.db2.gz IRHZVRHDKAAQOV-VIFPVBQESA-N 0 0 215.293 2.380 10 0 BEAERN CCOc1cc(CNc2cn[nH]c2)ccc1O ZINC000035764065 170521993 /nfs/dbraw/zinc/52/19/93/170521993.db2.gz DPYCUURSILNZDN-UHFFFAOYSA-N 0 0 233.271 2.126 10 0 BEAERN CCOc1ccc(/C=C\C(N)=S)cc1 ZINC000039099525 170535166 /nfs/dbraw/zinc/53/51/66/170535166.db2.gz IQNQLJCAKLMJNP-YVMONPNESA-N 0 0 207.298 2.385 10 0 BEAERN CCOc1ccc(C(=O)NCC(C)C)cc1N ZINC000036292623 170538179 /nfs/dbraw/zinc/53/81/79/170538179.db2.gz GYHDOJOFXDMUAC-UHFFFAOYSA-N 0 0 236.315 2.053 10 0 BEAERN CCOc1ccc(O[C@H](C)C(N)=S)cc1 ZINC000041246094 170556642 /nfs/dbraw/zinc/55/66/42/170556642.db2.gz NMZBUHZQUJDLFC-MRVPVSSYSA-N 0 0 225.313 2.139 10 0 BEAERN CCCc1nccnc1N(C)C[C@H]1CCC[C@H]1O ZINC000663746294 411737341 /nfs/dbraw/zinc/73/73/41/411737341.db2.gz XOBVTTYUMMALFQ-DGCLKSJQSA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1N(C)C[C@H]1CCC[C@@H]1O ZINC000663746296 411738097 /nfs/dbraw/zinc/73/80/97/411738097.db2.gz XOBVTTYUMMALFQ-YPMHNXCESA-N 0 0 249.358 2.026 10 0 BEAERN CCOc1ccccc1O[C@H](C)[C@@H](C)O ZINC000044195529 170597538 /nfs/dbraw/zinc/59/75/38/170597538.db2.gz HSDILXOOZUBFHT-NXEZZACHSA-N 0 0 210.273 2.233 10 0 BEAERN CCOc1ncnc(Cl)c1Br ZINC000233794193 170605384 /nfs/dbraw/zinc/60/53/84/170605384.db2.gz KSXSJENYZDPKOH-UHFFFAOYSA-N 0 0 237.484 2.291 10 0 BEAERN CCCc1nccnc1N1CC[C@@H](O)C(C)(C)C1 ZINC000663834781 411757856 /nfs/dbraw/zinc/75/78/56/411757856.db2.gz VHCSIQHZWUFSLC-GFCCVEGCSA-N 0 0 249.358 2.026 10 0 BEAERN CCSCC(=O)c1ccc2c(c1)OCCO2 ZINC000036182309 170626051 /nfs/dbraw/zinc/62/60/51/170626051.db2.gz FIKNCAKGRRMBKU-UHFFFAOYSA-N 0 0 238.308 2.394 10 0 BEAERN CCCc1nccnc1NC[C@H](CC)OC ZINC000663922308 411769535 /nfs/dbraw/zinc/76/95/35/411769535.db2.gz KSFFCRZHJQBHDF-JTQLQIEISA-N 0 0 223.320 2.266 10 0 BEAERN CCSc1cc2c(cc1N)NC(=O)CC2 ZINC000035341720 170653926 /nfs/dbraw/zinc/65/39/26/170653926.db2.gz SKSAHYNRZCNZNT-UHFFFAOYSA-N 0 0 222.313 2.266 10 0 BEAERN CCSc1nc2ccccc2c(=O)o1 ZINC000027524302 170657992 /nfs/dbraw/zinc/65/79/92/170657992.db2.gz KAWPIPMYRBUMHF-UHFFFAOYSA-N 0 0 207.254 2.300 10 0 BEAERN CC[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000041217229 170673219 /nfs/dbraw/zinc/67/32/19/170673219.db2.gz OHFZQEQPYSVMGU-LLVKDONJSA-N 0 0 208.257 2.362 10 0 BEAERN CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(N)cc1 ZINC000037177429 170681052 /nfs/dbraw/zinc/68/10/52/170681052.db2.gz HEZYBGPTCIRQKT-ZJUUUORDSA-N 0 0 220.316 2.492 10 0 BEAERN CCCc1nccnc1NC[C@H](O)C1CCC1 ZINC000663986278 411802494 /nfs/dbraw/zinc/80/24/94/411802494.db2.gz CRCNCAPGCHEGON-LBPRGKRZSA-N 0 0 235.331 2.002 10 0 BEAERN CC[C@@H](C)N(C)C(=O)c1nc(N)ccc1Cl ZINC000050700963 170722872 /nfs/dbraw/zinc/72/28/72/170722872.db2.gz BYMPEXVIDAGVLK-SSDOTTSWSA-N 0 0 241.722 2.188 10 0 BEAERN CC[C@@H](C)NC(=O)c1cccc(N)c1C ZINC000020194318 170748492 /nfs/dbraw/zinc/74/84/92/170748492.db2.gz KMKQOCOPDXHMGJ-MRVPVSSYSA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@@H](C)[NH2+]Cc1ccccc1C(=O)[O-] ZINC000010474946 170754016 /nfs/dbraw/zinc/75/40/16/170754016.db2.gz GRWWULXRVBXUCS-SECBINFHSA-N 0 0 207.273 2.273 10 0 BEAERN CCN1C[C@@H](n2ccc(N)n2)Cc2ccccc21 ZINC000616672440 411858361 /nfs/dbraw/zinc/85/83/61/411858361.db2.gz KNAJBEQHHFEBJK-LBPRGKRZSA-N 0 0 242.326 2.089 10 0 BEAERN CN1c2ccccc2CC[C@@H]1c1c[nH]nc1N ZINC000616669862 411897463 /nfs/dbraw/zinc/89/74/63/411897463.db2.gz SACKPJSQFXVYBA-GFCCVEGCSA-N 0 0 228.299 2.116 10 0 BEAERN CN(C(=O)c1ncccc1N)C1CCCCC1 ZINC000132292967 411897907 /nfs/dbraw/zinc/89/79/07/411897907.db2.gz HDAZZWYWZYRDJF-UHFFFAOYSA-N 0 0 233.315 2.069 10 0 BEAERN CN1c2ccccc2CC[C@H]1c1cc(N)n[nH]1 ZINC000616668676 411898959 /nfs/dbraw/zinc/89/89/59/411898959.db2.gz CKOZFXAVONGFEV-LBPRGKRZSA-N 0 0 228.299 2.116 10 0 BEAERN CC[C@@H](C)[C@H](C)NC(=O)c1cc(N)cnc1C ZINC000042551041 170789141 /nfs/dbraw/zinc/78/91/41/170789141.db2.gz AVIZERNVPKMKOI-BDAKNGLRSA-N 0 0 235.331 2.137 10 0 BEAERN Cc1cccc(Nc2cn(C)nc2N)c1 ZINC000536950694 411925820 /nfs/dbraw/zinc/92/58/20/411925820.db2.gz RRZABSNGTLTFTG-UHFFFAOYSA-N 0 0 202.261 2.054 10 0 BEAERN OCC1CC(Nc2ccc(C(F)(F)F)cn2)C1 ZINC000664644233 412005176 /nfs/dbraw/zinc/00/51/76/412005176.db2.gz BRZPAXFKNFNWBC-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CC[C@@H](Nc1cc(Cl)ccc1F)C(N)=O ZINC000061676629 170914608 /nfs/dbraw/zinc/91/46/08/170914608.db2.gz FXNWWFCGTQJCEX-MRVPVSSYSA-N 0 0 230.670 2.155 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1ccc(N)cn1 ZINC000124344583 170960765 /nfs/dbraw/zinc/96/07/65/170960765.db2.gz FBFUHBWUPUVBAP-GFCCVEGCSA-N 0 0 247.342 2.459 10 0 BEAERN CC[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000036170424 170973675 /nfs/dbraw/zinc/97/36/75/170973675.db2.gz RUXGYDHJZCHAHK-LLVKDONJSA-N 0 0 235.331 2.289 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000130803393 171004605 /nfs/dbraw/zinc/00/46/05/171004605.db2.gz JTRLMLILBAVQPT-NWDGAFQWSA-N 0 0 232.327 2.444 10 0 BEAERN CC[C@@H]1CC[C@H]([C@@H](CC(C)=O)C(C)=O)O1 ZINC000039101613 171057288 /nfs/dbraw/zinc/05/72/88/171057288.db2.gz ZIPBJCOUQNAYOV-GRYCIOLGSA-N 0 0 212.289 2.128 10 0 BEAERN CC[C@@H]1CC[C@H]([C@H](CC(C)=O)C(C)=O)O1 ZINC000256015674 171057785 /nfs/dbraw/zinc/05/77/85/171057785.db2.gz ZIPBJCOUQNAYOV-IJLUTSLNSA-N 0 0 212.289 2.128 10 0 BEAERN CC[C@@H]1CN1[C@H](COC)c1ccccc1 ZINC000256000595 171100185 /nfs/dbraw/zinc/10/01/85/171100185.db2.gz RYVJPLDAEFFOTE-ZFXTZCCVSA-N 0 0 205.301 2.468 10 0 BEAERN CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)C(C)(C)C ZINC000054026705 171112139 /nfs/dbraw/zinc/11/21/39/171112139.db2.gz LBKSAAKRHYOKPA-VXGBXAGGSA-N 0 0 241.375 2.491 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nccnc1OC(C)C ZINC000302220076 171123967 /nfs/dbraw/zinc/12/39/67/171123967.db2.gz LVFVBXHGYSUYCU-ZJUUUORDSA-N 0 0 221.304 2.474 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nc(C)nc(OC)c1C ZINC000302559502 171124921 /nfs/dbraw/zinc/12/49/21/171124921.db2.gz MLPWBZXKAYXVKK-ZJUUUORDSA-N 0 0 221.304 2.312 10 0 BEAERN CC[C@@H]1c2ccccc2CCS1(=O)=O ZINC000002385363 171161692 /nfs/dbraw/zinc/16/16/92/171161692.db2.gz GDNLTTOGVZZNBC-LLVKDONJSA-N 0 0 210.298 2.109 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(C2CCCC2)n1 ZINC000041052939 171172130 /nfs/dbraw/zinc/17/21/30/171172130.db2.gz ONNDOCAAUUAFAZ-LLVKDONJSA-N 0 0 209.293 2.311 10 0 BEAERN CC[C@@](C)(Nc1ccccc1OC)C(=O)OC ZINC000037961546 171177566 /nfs/dbraw/zinc/17/75/66/171177566.db2.gz KZEBXJJBVZZERE-CYBMUJFWSA-N 0 0 237.299 2.449 10 0 BEAERN CC[C@@](C)(Nc1ccc(OC)cc1)C(=O)OC ZINC000037952932 171178705 /nfs/dbraw/zinc/17/87/05/171178705.db2.gz HLTDOAPLWBBFPR-CYBMUJFWSA-N 0 0 237.299 2.449 10 0 BEAERN CC[C@@]1(C)OC(=O)c2c1cccc2OC ZINC000039101139 171209450 /nfs/dbraw/zinc/20/94/50/171209450.db2.gz KPMXLBZUGSZMKL-GFCCVEGCSA-N 0 0 206.241 2.491 10 0 BEAERN CC[C@@]1(C)Nc2cc(OC)ccc2NC1=O ZINC000076861447 171209754 /nfs/dbraw/zinc/20/97/54/171209754.db2.gz GWSRQXHAJTWAHU-GFCCVEGCSA-N 0 0 220.272 2.228 10 0 BEAERN CC[C@@]1(O)CC=C(N)C=C1c1ccccc1 ZINC000100260485 171212523 /nfs/dbraw/zinc/21/25/23/171212523.db2.gz VLYMSOUKKBFBIP-CQSZACIVSA-N 0 0 215.296 2.457 10 0 BEAERN CC[C@H](C(=O)OC)c1cc(OC)ccc1OC ZINC000041279939 171241908 /nfs/dbraw/zinc/24/19/08/171241908.db2.gz VDAXTAJOZVJEQU-JTQLQIEISA-N 0 0 238.283 2.370 10 0 BEAERN CC[C@H](C)C(=O)N[C@@H](C)c1ccccc1N ZINC000037178035 171253058 /nfs/dbraw/zinc/25/30/58/171253058.db2.gz NREBHRDJBSWIDU-UWVGGRQHSA-N 0 0 220.316 2.492 10 0 BEAERN CC[C@H](C)CN(C)c1ncccc1CO ZINC000040877625 171275559 /nfs/dbraw/zinc/27/55/59/171275559.db2.gz YFPZUPKQMWVBJU-JTQLQIEISA-N 0 0 208.305 2.056 10 0 BEAERN CC[C@H](C)CNC(=O)c1cc(F)ccc1N ZINC000054466185 171283678 /nfs/dbraw/zinc/28/36/78/171283678.db2.gz JRSKZKRRCRQOJP-QMMMGPOBSA-N 0 0 224.279 2.184 10 0 BEAERN CC[C@H](C)CN[C@H](CC(C)C)C(=O)OC ZINC000036980167 171287368 /nfs/dbraw/zinc/28/73/68/171287368.db2.gz LBJPWRHNIRAHBO-WDEREUQCSA-N 0 0 215.337 2.210 10 0 BEAERN CC[C@H](C)N(C)c1cc2c(cc1N)CCC(=O)N2 ZINC000035063292 171309468 /nfs/dbraw/zinc/30/94/68/171309468.db2.gz IOEDIBPTXVWWRT-VIFPVBQESA-N 0 0 247.342 2.388 10 0 BEAERN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cccs1 ZINC000032015430 171310745 /nfs/dbraw/zinc/31/07/45/171310745.db2.gz LYNAJGNYHMWGHM-VIFPVBQESA-N 0 0 227.329 2.433 10 0 BEAERN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000037979124 171326342 /nfs/dbraw/zinc/32/63/42/171326342.db2.gz JAZCIKYLRSBXIR-ONGXEEELSA-N 0 0 238.331 2.153 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000047833048 171336137 /nfs/dbraw/zinc/33/61/37/171336137.db2.gz BXQMEEMQOOCJNB-VIFPVBQESA-N 0 0 244.294 2.056 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(N)c(F)cc1F ZINC000040292265 171336258 /nfs/dbraw/zinc/33/62/58/171336258.db2.gz RYXHDBJMJZATPR-LURJTMIESA-N 0 0 228.242 2.075 10 0 BEAERN CC[C@H](C)Nc1cc2c(cc1N)NC(=O)CC2 ZINC000035341206 171349958 /nfs/dbraw/zinc/34/99/58/171349958.db2.gz QGPQQAWJZSVYNZ-QMMMGPOBSA-N 0 0 233.315 2.364 10 0 BEAERN CC[C@H](C)Nc1nc(Cl)cc(COC)n1 ZINC000057345821 171350085 /nfs/dbraw/zinc/35/00/85/171350085.db2.gz ARUUHPMZVVFKQN-ZETCQYMHSA-N 0 0 229.711 2.487 10 0 BEAERN CC[C@H](C)Nc1nc(Cl)nc(C)c1N ZINC000038545401 171350414 /nfs/dbraw/zinc/35/04/14/171350414.db2.gz QYQJKRLFNJTNNQ-YFKPBYRVSA-N 0 0 214.700 2.231 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H]1CNc2ccccc2O1 ZINC000048265427 171351116 /nfs/dbraw/zinc/35/11/16/171351116.db2.gz UCNLFLLWWZGQTJ-CABZTGNLSA-N 0 0 235.283 2.201 10 0 BEAERN CC[C@H](C)OCC(=O)NCC1(C)CCC1 ZINC000118950963 171352753 /nfs/dbraw/zinc/35/27/53/171352753.db2.gz QTBOKCWDOZBMJW-JTQLQIEISA-N 0 0 213.321 2.108 10 0 BEAERN CC[C@H](C)OCC(=O)Nc1ccc(C)cc1N ZINC000048263969 171354628 /nfs/dbraw/zinc/35/46/28/171354628.db2.gz XDYHTIWGJPXCIB-JTQLQIEISA-N 0 0 236.315 2.331 10 0 BEAERN CC[C@H](C)Oc1cccc(N[C@@H](C)C(N)=O)c1 ZINC000051780749 171356097 /nfs/dbraw/zinc/35/60/97/171356097.db2.gz ZQYGTZMMJOIXLH-UWVGGRQHSA-N 0 0 236.315 2.150 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1cc(N)cnc1C ZINC000042551038 171363974 /nfs/dbraw/zinc/36/39/74/171363974.db2.gz AVIZERNVPKMKOI-DTWKUNHWSA-N 0 0 235.331 2.137 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1sccc1N ZINC000042551160 171388002 /nfs/dbraw/zinc/38/80/02/171388002.db2.gz VRHJERROZAXPBK-YUMQZZPRSA-N 0 0 226.345 2.495 10 0 BEAERN CC[C@H](C)c1[nH]nc2nc(Cl)nc(N)c21 ZINC000095935946 171413483 /nfs/dbraw/zinc/41/34/83/171413483.db2.gz PKGNEBOHTBASLL-BYPYZUCNSA-N 0 0 225.683 2.102 10 0 BEAERN CC[C@H](NC(=O)c1cc(N)cc(N)c1)C(C)C ZINC000042584504 171509443 /nfs/dbraw/zinc/50/94/43/171509443.db2.gz PPGBHRAZEUTBAV-LBPRGKRZSA-N 0 0 235.331 2.015 10 0 BEAERN CC[C@H](Nc1ccc(C)cc1Cl)C(N)=O ZINC000061676550 171551394 /nfs/dbraw/zinc/55/13/94/171551394.db2.gz BUWRXAZHBNXNGG-VIFPVBQESA-N 0 0 226.707 2.324 10 0 BEAERN CC[C@H](Nc1ccnc(C(=O)NC)c1)C(C)C ZINC000042590963 171551945 /nfs/dbraw/zinc/55/19/45/171551945.db2.gz VTTGZYSDENEDDL-NSHDSACASA-N 0 0 235.331 2.288 10 0 BEAERN CC[C@H](O)c1ccccc1OCc1ncccn1 ZINC000054460565 171581485 /nfs/dbraw/zinc/58/14/85/171581485.db2.gz ROLJMOGENGIUSS-LBPRGKRZSA-N 0 0 244.294 2.499 10 0 BEAERN CC[C@H]1CCCC[C@@H]1Oc1ncc(N)cn1 ZINC000040456008 171610516 /nfs/dbraw/zinc/61/05/16/171610516.db2.gz JXXBEFMTAFXNME-ONGXEEELSA-N 0 0 221.304 2.406 10 0 BEAERN C[C@H]1CC(NC(=O)c2ncccc2N)C[C@H](C)C1 ZINC000132737922 412237492 /nfs/dbraw/zinc/23/74/92/412237492.db2.gz AQFIGECGHSSZRN-NXEZZACHSA-N 0 0 247.342 2.218 10 0 BEAERN CC[C@H]1CN(c2ccccc2)C(=S)N1 ZINC000039101150 171666277 /nfs/dbraw/zinc/66/62/77/171666277.db2.gz PNXKMXVXFYOYIX-VIFPVBQESA-N 0 0 206.314 2.160 10 0 BEAERN CCc1cc(CC)nc(N[C@@H]2C[C@@H]2C)n1 ZINC000336716055 171758615 /nfs/dbraw/zinc/75/86/15/171758615.db2.gz WYLBWOHFMSHZLC-GZMMTYOYSA-N 0 0 205.305 2.422 10 0 BEAERN CCc1cc(NCc2ccoc2)c(=O)[nH]c1C ZINC000005887319 171768087 /nfs/dbraw/zinc/76/80/87/171768087.db2.gz NDPNEMJSWSUSTC-UHFFFAOYSA-N 0 0 232.283 2.451 10 0 BEAERN CCc1ccc(C(=O)N(CCO)C(C)C)cc1 ZINC000036793028 171784267 /nfs/dbraw/zinc/78/42/67/171784267.db2.gz UOLWEFCBHMLIBD-UHFFFAOYSA-N 0 0 235.327 2.092 10 0 BEAERN CCc1ccc(OCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000171072934 171826971 /nfs/dbraw/zinc/82/69/71/171826971.db2.gz GCYXYECDXWCHJV-MFKMUULPSA-N 0 0 233.311 2.152 10 0 BEAERN CCc1ccc(Oc2ncnc(NC)c2N)cc1 ZINC000040707158 171828637 /nfs/dbraw/zinc/82/86/37/171828637.db2.gz VPWKJMUHVNIRBY-UHFFFAOYSA-N 0 0 244.298 2.455 10 0 BEAERN CCc1cnc(CNC(=O)OC(C)C)s1 ZINC000234142160 171912721 /nfs/dbraw/zinc/91/27/21/171912721.db2.gz AONOLAUTAIHXFS-UHFFFAOYSA-N 0 0 228.317 2.340 10 0 BEAERN CCc1ccccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000153584935 171874515 /nfs/dbraw/zinc/87/45/15/171874515.db2.gz IGRMGTYLVXBKQZ-JOYOIKCWSA-N 0 0 203.285 2.387 10 0 BEAERN CCc1ccccc1[C@H](CO)NCC(F)(F)F ZINC000052204942 171893055 /nfs/dbraw/zinc/89/30/55/171893055.db2.gz SAXLGSBUKHKLBD-NSHDSACASA-N 0 0 247.260 2.434 10 0 BEAERN CCc1nc([C@@H](N)c2ccc(C)s2)no1 ZINC000041676995 172005129 /nfs/dbraw/zinc/00/51/29/172005129.db2.gz NQLIOQZGNFEYKT-VIFPVBQESA-N 0 0 223.301 2.050 10 0 BEAERN CCc1nc([C@H](N)c2ccccc2CC)no1 ZINC000052204854 172006900 /nfs/dbraw/zinc/00/69/00/172006900.db2.gz JZCMZUKQMHRETM-GFCCVEGCSA-N 0 0 231.299 2.243 10 0 BEAERN CCc1ncc(OC2CC2)cc1N(C)C ZINC000095726917 172023275 /nfs/dbraw/zinc/02/32/75/172023275.db2.gz IJKXAUCQMJZIBS-UHFFFAOYSA-N 0 0 206.289 2.251 10 0 BEAERN CCc1nccn1CC(=O)Nc1ccccc1F ZINC000108658078 172025460 /nfs/dbraw/zinc/02/54/60/172025460.db2.gz IAZQFXOFLYGRAW-UHFFFAOYSA-N 0 0 247.273 2.223 10 0 BEAERN CCc1nccn1[C@H](C)C(=O)N1CCCCCC1 ZINC000104298203 172029659 /nfs/dbraw/zinc/02/96/59/172029659.db2.gz KOYQXJUZLRKDBV-GFCCVEGCSA-N 0 0 249.358 2.409 10 0 BEAERN CCc1nn(C)cc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300240789 172044584 /nfs/dbraw/zinc/04/45/84/172044584.db2.gz XQCHKXANVJNHCC-OASPWFOLSA-N 0 0 249.358 2.208 10 0 BEAERN CCc1nnc(-c2cccc(C)c2N)o1 ZINC000036335836 172044894 /nfs/dbraw/zinc/04/48/94/172044894.db2.gz DCZVMRFBZVEDSQ-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nnc(-c2cccc(C)n2)nc1CC ZINC000039102800 172045480 /nfs/dbraw/zinc/04/54/80/172045480.db2.gz ISMRYDNLKNFTKS-UHFFFAOYSA-N 0 0 228.299 2.367 10 0 BEAERN CCc1nnc(COc2cc(C)ccc2F)n1C ZINC000123442683 172055823 /nfs/dbraw/zinc/05/58/23/172055823.db2.gz FCCAUHAZFDTEHG-UHFFFAOYSA-N 0 0 249.289 2.404 10 0 BEAERN CCc1nnc(CSc2cccc(O)c2)n1C ZINC000185693791 172055977 /nfs/dbraw/zinc/05/59/77/172055977.db2.gz HBWDRBXPJQHMHF-UHFFFAOYSA-N 0 0 249.339 2.375 10 0 BEAERN CCc1nnc2cc(C)c3ccc(O)cc3n21 ZINC000039102739 172067764 /nfs/dbraw/zinc/06/77/64/172067764.db2.gz OAWVYLLXYATXQC-UHFFFAOYSA-N 0 0 227.267 2.459 10 0 BEAERN CCc1noc(-c2[nH]c(C)c(C(C)=O)c2C)n1 ZINC000070458839 172071144 /nfs/dbraw/zinc/07/11/44/172071144.db2.gz FVBWFHQZYSZMSF-UHFFFAOYSA-N 0 0 233.271 2.447 10 0 BEAERN CCc1noc(C)c1C[N@H+](C[C@H](C)O)C(C)C ZINC000119040791 172076467 /nfs/dbraw/zinc/07/64/67/172076467.db2.gz OJGJXZTXSNFNON-JTQLQIEISA-N 0 0 240.347 2.137 10 0 BEAERN CCc1nsc(N[C@@H]2CCC[C@@H](OC)C2)n1 ZINC000301798575 172106513 /nfs/dbraw/zinc/10/65/13/172106513.db2.gz VGABQVWAHMXRIZ-RKDXNWHRSA-N 0 0 241.360 2.470 10 0 BEAERN CCc1nsc(NC[C@H](O)C2CCCC2)n1 ZINC000301513360 172107026 /nfs/dbraw/zinc/10/70/26/172107026.db2.gz LBYHEADIUPXNCR-VIFPVBQESA-N 0 0 241.360 2.064 10 0 BEAERN CCc1oc(C(C)(C)C)nc1CCCO ZINC000039101506 172111052 /nfs/dbraw/zinc/11/10/52/172111052.db2.gz UVEDVKDOHHULKD-UHFFFAOYSA-N 0 0 211.305 2.459 10 0 BEAERN CCc1onc(C)c1NC(=O)N[C@H]1C[C@H]1C ZINC000089443988 172125807 /nfs/dbraw/zinc/12/58/07/172125807.db2.gz MSPZGGKKPYJYBL-SVRRBLITSA-N 0 0 223.276 2.075 10 0 BEAERN CCn1c(=S)[nH]nc1-c1scnc1C ZINC000082418868 172130558 /nfs/dbraw/zinc/13/05/58/172130558.db2.gz FCQWFWBHLKSVRW-UHFFFAOYSA-N 0 0 226.330 2.393 10 0 BEAERN CCn1c(C(C)C)c(N)c(=O)n1CC(C)C ZINC000040933036 172134481 /nfs/dbraw/zinc/13/44/81/172134481.db2.gz OTDGMSPIGMPJRF-UHFFFAOYSA-N 0 0 225.336 2.031 10 0 BEAERN CCn1c(C)nnc1CN[C@@H](C)c1ccccc1 ZINC000120701234 172139337 /nfs/dbraw/zinc/13/93/37/172139337.db2.gz KBIGOIBKUKOEPB-NSHDSACASA-N 0 0 244.342 2.457 10 0 BEAERN CCn1cc(CN(C)C(=O)C2CC=CC2)c(C)n1 ZINC000244691898 172160434 /nfs/dbraw/zinc/16/04/34/172160434.db2.gz JKYMNCWDSCAXBG-UHFFFAOYSA-N 0 0 247.342 2.136 10 0 BEAERN CCn1cc(CN2CCc3cc(N)ccc32)cn1 ZINC000050540153 172164174 /nfs/dbraw/zinc/16/41/74/172164174.db2.gz VJPVYSJSNJYMMD-UHFFFAOYSA-N 0 0 242.326 2.048 10 0 BEAERN CCn1cc(C[C@H](O)c2ccc(OC)cc2)cn1 ZINC000050541929 172176687 /nfs/dbraw/zinc/17/66/87/172176687.db2.gz ACLVILRRAUZHJV-AWEZNQCLSA-N 0 0 246.310 2.188 10 0 BEAERN CCn1cc(N)cc1C(=O)N(C)[C@@H](C)C(C)C ZINC000036863390 172177603 /nfs/dbraw/zinc/17/76/03/172177603.db2.gz OWRDGKPARMCKPV-JTQLQIEISA-N 0 0 237.347 2.207 10 0 BEAERN CCn1cc(N)cc1C(=O)N(C)CCC(C)C ZINC000040329078 172177731 /nfs/dbraw/zinc/17/77/31/172177731.db2.gz RJUCLYAUHICMDT-UHFFFAOYSA-N 0 0 237.347 2.208 10 0 BEAERN CCn1cc(N)cc1C(=O)N(C)[C@H](C)C(C)C ZINC000036863391 172178120 /nfs/dbraw/zinc/17/81/20/172178120.db2.gz OWRDGKPARMCKPV-SNVBAGLBSA-N 0 0 237.347 2.207 10 0 BEAERN CCn1cc(NCc2cccnc2)c(C)n1 ZINC000020351787 172185112 /nfs/dbraw/zinc/18/51/12/172185112.db2.gz OXXCXINVZGHHPF-UHFFFAOYSA-N 0 0 216.288 2.219 10 0 BEAERN CCn1cc(NCc2ccc(C)o2)ccc1=O ZINC000037773844 172185541 /nfs/dbraw/zinc/18/55/41/172185541.db2.gz GJHNONMPJJSDFK-UHFFFAOYSA-N 0 0 232.283 2.382 10 0 BEAERN CCn1cc(NCc2ccccn2)c(C)n1 ZINC000020351783 172185951 /nfs/dbraw/zinc/18/59/51/172185951.db2.gz ZFEIELBXFDEHDZ-UHFFFAOYSA-N 0 0 216.288 2.219 10 0 BEAERN CCn1cc(N[C@@H](C)c2ccccn2)ccc1=O ZINC000037773867 172186318 /nfs/dbraw/zinc/18/63/18/172186318.db2.gz WWLHRAXFEAEPHC-NSHDSACASA-N 0 0 243.310 2.436 10 0 BEAERN CCn1cc(Nc2ccnc(C3CC3)n2)cn1 ZINC000112552735 172187922 /nfs/dbraw/zinc/18/79/22/172187922.db2.gz ZMBGHIHIWBHXJC-UHFFFAOYSA-N 0 0 229.287 2.314 10 0 BEAERN CCn1cc([C@H]2CN(CC=C(C)C)CCO2)cn1 ZINC000190761454 172199721 /nfs/dbraw/zinc/19/97/21/172199721.db2.gz ILFDQWSSEQIOET-CQSZACIVSA-N 0 0 249.358 2.243 10 0 BEAERN CCn1ccc(=O)n2nc(-c3ccccc3)cc21 ZINC000005957034 172200179 /nfs/dbraw/zinc/20/01/79/172200179.db2.gz JEWOUZIOCRUZPT-UHFFFAOYSA-N 0 0 239.278 2.183 10 0 in-vivo BEAERN CCn1ccnc1CN[C@H](C)c1ccncc1 ZINC000051921007 172224206 /nfs/dbraw/zinc/22/42/06/172224206.db2.gz FLZHHYZLBQQCSH-LLVKDONJSA-N 0 0 230.315 2.149 10 0 BEAERN CCn1ccnc1CSc1ccc(N)nc1 ZINC000054743643 172225884 /nfs/dbraw/zinc/22/58/84/172225884.db2.gz WGFAOSYNAJOZJQ-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1ccnc1CSc1ncccc1N ZINC000054743641 172226589 /nfs/dbraw/zinc/22/65/89/172226589.db2.gz PZMLHUPLDCXXGF-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1ccnc1[C@H](O)c1cccc(F)c1F ZINC000054214768 172230639 /nfs/dbraw/zinc/23/06/39/172230639.db2.gz WASRDJXKPQBTCS-LLVKDONJSA-N 0 0 238.237 2.263 10 0 BEAERN CCn1cnc(-c2ccc(F)c(F)c2)c1N ZINC000104900910 172230672 /nfs/dbraw/zinc/23/06/72/172230672.db2.gz BYIATTNJSHVIEZ-UHFFFAOYSA-N 0 0 223.226 2.430 10 0 BEAERN CCn1ncc(-c2n[nH]cc2Cl)c1C ZINC000015937367 172251200 /nfs/dbraw/zinc/25/12/00/172251200.db2.gz LCCLGXRFCSQPKC-UHFFFAOYSA-N 0 0 210.668 2.255 10 0 BEAERN CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@@H]1O ZINC000001765725 172299109 /nfs/dbraw/zinc/29/91/09/172299109.db2.gz RLLKSOVSLFBSQK-OLZOCXBDSA-N 0 0 239.359 2.329 10 0 BEAERN CN(C(=O)C1CCCCCC1)[C@@H]1CCOC1 ZINC000106842384 172299233 /nfs/dbraw/zinc/29/92/33/172299233.db2.gz HHDUDABDFAYZMS-GFCCVEGCSA-N 0 0 225.332 2.204 10 0 BEAERN CN(C(=O)CC1CC1)c1cccc(N)c1 ZINC000049728848 172301388 /nfs/dbraw/zinc/30/13/88/172301388.db2.gz WFMXWGYDRCCRFD-UHFFFAOYSA-N 0 0 204.273 2.032 10 0 BEAERN CN(C(=O)c1cc(N)ccc1F)c1ccccn1 ZINC000035651452 172338212 /nfs/dbraw/zinc/33/82/12/172338212.db2.gz QTPTWLJKJGLOFU-UHFFFAOYSA-N 0 0 245.257 2.080 10 0 BEAERN CN(C(=O)c1ccc(O)cc1)c1ccccn1 ZINC000019839099 172339868 /nfs/dbraw/zinc/33/98/68/172339868.db2.gz VVYGGNYIQGINSM-UHFFFAOYSA-N 0 0 228.251 2.064 10 0 BEAERN CN(C(=O)c1ccc(Cl)c(N)c1)C1CC1 ZINC000037080353 172339898 /nfs/dbraw/zinc/33/98/98/172339898.db2.gz IYWPPMXYZAQULA-UHFFFAOYSA-N 0 0 224.691 2.157 10 0 BEAERN CN(C(=O)c1ccccc1O)c1ccccn1 ZINC000019839075 172343590 /nfs/dbraw/zinc/34/35/90/172343590.db2.gz BOPLNFOMMFDFBQ-UHFFFAOYSA-N 0 0 228.251 2.064 10 0 BEAERN CN(C(=O)c1sccc1N)c1ccccn1 ZINC000040301763 172348673 /nfs/dbraw/zinc/34/86/73/172348673.db2.gz BIXYGBUXGZKPLC-UHFFFAOYSA-N 0 0 233.296 2.002 10 0 BEAERN CN(C)C(=O)CCNc1ccc(Cl)c(F)c1 ZINC000042579866 172361243 /nfs/dbraw/zinc/36/12/43/172361243.db2.gz BBEXZKDVWMGGRN-UHFFFAOYSA-N 0 0 244.697 2.369 10 0 BEAERN CN(C)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000135867382 172376570 /nfs/dbraw/zinc/37/65/70/172376570.db2.gz XHWLFIZWAZXDSI-UHFFFAOYSA-N 0 0 226.707 2.453 10 0 BEAERN CN(C)C(=O)Nc1nsc2ccccc21 ZINC000003653223 172382876 /nfs/dbraw/zinc/38/28/76/172382876.db2.gz XODPMSKTWHDBNQ-UHFFFAOYSA-N 0 0 221.285 2.390 10 0 BEAERN CN(C)C(=O)Oc1cccc2cc[nH]c21 ZINC000089209387 172382935 /nfs/dbraw/zinc/38/29/35/172382935.db2.gz XJSDMQWHGGYPGS-UHFFFAOYSA-N 0 0 204.229 2.228 10 0 BEAERN CN(C)C(=O)c1c(F)cccc1OC1CC1 ZINC000095720209 172387622 /nfs/dbraw/zinc/38/76/22/172387622.db2.gz CBZVJIMMJREOLP-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)c1nc2sccc2c(Cl)n1 ZINC000071671321 172576144 /nfs/dbraw/zinc/57/61/44/172576144.db2.gz JPDDFSWKPJWHBN-UHFFFAOYSA-N 0 0 213.693 2.411 10 0 BEAERN CN(C)c1cc(O)cc(OCC2CC2)c1 ZINC000095711997 172545458 /nfs/dbraw/zinc/54/54/58/172545458.db2.gz PMBOFTSGLPGJBW-UHFFFAOYSA-N 0 0 207.273 2.247 10 0 BEAERN CN(C)c1nccnc1N(C)C[C@H]1CC=CCC1 ZINC000302201565 172585100 /nfs/dbraw/zinc/58/51/00/172585100.db2.gz SMXDSWDIFAAAFZ-LBPRGKRZSA-N 0 0 246.358 2.335 10 0 BEAERN CN(CC1CC1)c1c(N)ccc(F)c1F ZINC000053165777 172653161 /nfs/dbraw/zinc/65/31/61/172653161.db2.gz SNHNPDOYYNTJPH-UHFFFAOYSA-N 0 0 212.243 2.393 10 0 BEAERN CN(Cc1ccco1)C(=O)c1sccc1N ZINC000040303639 172890148 /nfs/dbraw/zinc/89/01/48/172890148.db2.gz CBXCMDAYVRZQNI-UHFFFAOYSA-N 0 0 236.296 2.196 10 0 BEAERN CN(O)Cc1ccc(Br)cc1 ZINC000082969731 172943150 /nfs/dbraw/zinc/94/31/50/172943150.db2.gz DQBOJIYICRCKME-UHFFFAOYSA-N 0 0 216.078 2.270 10 0 BEAERN C[N@@H+]1CCCC1=CC=C1SC(=S)[N-]C1=O ZINC000020220350 173001086 /nfs/dbraw/zinc/00/10/86/173001086.db2.gz CVJBCVRBBBKQDB-NIQPXEJBSA-N 0 0 240.353 2.468 10 0 BEAERN CN1CCC[C@@H]1c1cc(C(F)(F)F)no1 ZINC000027520479 173036898 /nfs/dbraw/zinc/03/68/98/173036898.db2.gz FWHNOWPJAAFWNU-ZCFIWIBFSA-N 0 0 220.194 2.460 10 0 BEAERN CNC(=O)CC[C@H]1CCNc2ccccc21 ZINC000068575974 173263928 /nfs/dbraw/zinc/26/39/28/173263928.db2.gz RZGCEEZYQYVLMD-JTQLQIEISA-N 0 0 218.300 2.112 10 0 BEAERN CNC(=O)CNc1cccc(Cl)c1Cl ZINC000011622575 173279023 /nfs/dbraw/zinc/27/90/23/173279023.db2.gz ZSDKBZCJVLHOTH-UHFFFAOYSA-N 0 0 233.098 2.151 10 0 BEAERN CNC(=O)Cc1csc(-c2ccsc2)n1 ZINC000009747191 173283737 /nfs/dbraw/zinc/28/37/37/173283737.db2.gz MRRTWGHISSLXNP-UHFFFAOYSA-N 0 0 238.337 2.160 10 0 BEAERN CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000048487167 173291501 /nfs/dbraw/zinc/29/15/01/173291501.db2.gz ACJSEZDNNIZYNV-ZETCQYMHSA-N 0 0 212.680 2.330 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(F)cc1Cl ZINC000020308645 173304168 /nfs/dbraw/zinc/30/41/68/173304168.db2.gz CTCAVPVBLPRMGN-LURJTMIESA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)c1c(OC2CC2)cccc1SC ZINC000095724775 173309101 /nfs/dbraw/zinc/30/91/01/173309101.db2.gz MMGPPUCXOKBKNG-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1ccc(C)c(NC2CCC2)c1 ZINC000044481447 173310290 /nfs/dbraw/zinc/31/02/90/173310290.db2.gz KTKHMKSHZNJCST-UHFFFAOYSA-N 0 0 218.300 2.319 10 0 BEAERN CNC(=O)c1ccc(NC)c(C(F)(F)F)c1 ZINC000050725832 173310841 /nfs/dbraw/zinc/31/08/41/173310841.db2.gz VCUJLLFPTVZCQM-UHFFFAOYSA-N 0 0 232.205 2.107 10 0 BEAERN CNC(=O)c1ccc(OC2CC2)cc1SC ZINC000095724148 173311067 /nfs/dbraw/zinc/31/10/67/173311067.db2.gz WWFXOAFNDWZVLZ-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1ccc(N[C@H](C)C2CC2)cc1 ZINC000036957767 173311239 /nfs/dbraw/zinc/31/12/39/173311239.db2.gz NTCCCRDYYGSXNK-SECBINFHSA-N 0 0 218.300 2.257 10 0 BEAERN CNC(=O)c1ccc(OC2CC2)c(SC)c1 ZINC000095713006 173311268 /nfs/dbraw/zinc/31/12/68/173311268.db2.gz OBDVICQFTHNPGU-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1cccc(N[C@@H](C)C2CC2)c1 ZINC000020124652 173312013 /nfs/dbraw/zinc/31/20/13/173312013.db2.gz ZAUCIBIBRPLFKG-VIFPVBQESA-N 0 0 218.300 2.257 10 0 BEAERN CNC(C)(C)C(=O)O[C@H]1CCCC[C@H]1C ZINC000061171909 173319739 /nfs/dbraw/zinc/31/97/39/173319739.db2.gz BQKAJEVCHCXMHG-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN CNCC(=O)OCc1ccc(C(C)C)cc1 ZINC000077332267 173334693 /nfs/dbraw/zinc/33/46/93/173334693.db2.gz ZBMWHINEKGADQD-UHFFFAOYSA-N 0 0 221.300 2.073 10 0 BEAERN CNCC(=O)OCCc1c(C)c(C)cc(C)c1C ZINC000077429220 173335059 /nfs/dbraw/zinc/33/50/59/173335059.db2.gz NSVDARCIWKTARZ-UHFFFAOYSA-N 0 0 249.354 2.225 10 0 BEAERN CNCC(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000077371100 173335129 /nfs/dbraw/zinc/33/51/29/173335129.db2.gz PZLNMWUUUJQXLV-UHFFFAOYSA-N 0 0 235.327 2.247 10 0 BEAERN CN[C@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000037458375 173442958 /nfs/dbraw/zinc/44/29/58/173442958.db2.gz ZAZLAFSQOKPSFZ-LBPRGKRZSA-N 0 0 221.300 2.045 10 0 BEAERN CNc1cc(SC)c(OC2CC2)cn1 ZINC000095729558 173475050 /nfs/dbraw/zinc/47/50/50/173475050.db2.gz SSNCADXNQCHKNQ-UHFFFAOYSA-N 0 0 210.302 2.386 10 0 BEAERN CNc1ccc(C(=O)NCC2CCCCC2)cn1 ZINC000050750283 173476614 /nfs/dbraw/zinc/47/66/14/173476614.db2.gz MCOFRPMVXCOLHO-UHFFFAOYSA-N 0 0 247.342 2.433 10 0 BEAERN CNc1ccc(C(F)(F)F)cc1C(N)=S ZINC000036927035 173478501 /nfs/dbraw/zinc/47/85/01/173478501.db2.gz BBXBFRBIZDQURQ-UHFFFAOYSA-N 0 0 234.246 2.381 10 0 BEAERN CNc1ccc(O)cc1I ZINC000095724481 173480239 /nfs/dbraw/zinc/48/02/39/173480239.db2.gz INGVHIUFUBJGQC-UHFFFAOYSA-N 0 0 249.051 2.039 10 0 BEAERN CNc1nc2ccccc2cc1COC ZINC000050830448 173487791 /nfs/dbraw/zinc/48/77/91/173487791.db2.gz XFOPHMUXSKCXJT-UHFFFAOYSA-N 0 0 202.257 2.423 10 0 BEAERN COC(=O)CNCc1cc(Cl)ccc1Cl ZINC000083377928 173605246 /nfs/dbraw/zinc/60/52/46/173605246.db2.gz BKOSWZNYJLUWOI-UHFFFAOYSA-N 0 0 248.109 2.256 10 0 BEAERN COC(=O)[C@@H](C)NC1CC(c2cccc(C)c2)C1 ZINC000042304522 173688982 /nfs/dbraw/zinc/68/89/82/173688982.db2.gz QPEPENOCKMRLGG-LMWSTFAQSA-N 0 0 247.338 2.392 10 0 BEAERN COC(=O)[C@@H](N[C@@H](C)c1ccc(C)o1)C(C)C ZINC000035346489 173712691 /nfs/dbraw/zinc/71/26/91/173712691.db2.gz GLFDZOSCQPGXAV-JQWIXIFHSA-N 0 0 239.315 2.436 10 0 BEAERN COC(=O)[C@@H](Nc1ccncc1)c1ccccc1 ZINC000050506493 173713446 /nfs/dbraw/zinc/71/34/46/173713446.db2.gz DMPBMWAUIHTJFH-ZDUSSCGKSA-N 0 0 242.278 2.408 10 0 BEAERN COC(=O)[C@H](C)Nc1ncc(Cl)cc1Cl ZINC000035661078 173787884 /nfs/dbraw/zinc/78/78/84/173787884.db2.gz IGSRNCALEFZKGW-YFKPBYRVSA-N 0 0 249.097 2.362 10 0 BEAERN COC(=O)c1c[nH]c(Cc2ccccc2C)n1 ZINC000051170912 173845402 /nfs/dbraw/zinc/84/54/02/173845402.db2.gz VSGFFNAPDBVTCV-UHFFFAOYSA-N 0 0 230.267 2.096 10 0 BEAERN COC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000005115620 173846876 /nfs/dbraw/zinc/84/68/76/173846876.db2.gz LBAHSLRQMFWHLF-UHFFFAOYSA-N 0 0 234.280 2.321 10 0 BEAERN COC(=O)c1ccc(C)c(NC[C@@H]2CCOC2)c1 ZINC000037508007 173871669 /nfs/dbraw/zinc/87/16/69/173871669.db2.gz RTKAVKSCFXXXLC-NSHDSACASA-N 0 0 249.310 2.230 10 0 BEAERN COC(=O)c1ccc2scnc2c1C ZINC000045236174 173891413 /nfs/dbraw/zinc/89/14/13/173891413.db2.gz VGRPVRYTAIZMTP-UHFFFAOYSA-N 0 0 207.254 2.391 10 0 BEAERN COC(=O)c1nc2cc(OC)ccc2s1 ZINC000045237101 173916199 /nfs/dbraw/zinc/91/61/99/173916199.db2.gz YXCXKMFJMBRWDM-UHFFFAOYSA-N 0 0 223.253 2.092 10 0 BEAERN COC(=O)c1ncsc1-c1ccco1 ZINC000083239311 173917828 /nfs/dbraw/zinc/91/78/28/173917828.db2.gz OPAGXTJFSAGYGK-UHFFFAOYSA-N 0 0 209.226 2.190 10 0 BEAERN COC(CCc1ccccc1)(OC)OC ZINC000044589409 173957020 /nfs/dbraw/zinc/95/70/20/173957020.db2.gz BMAONYUMXZEVJB-UHFFFAOYSA-N 0 0 210.273 2.212 10 0 BEAERN COC(CNCc1c(F)cccc1Cl)OC ZINC000037388215 173961253 /nfs/dbraw/zinc/96/12/53/173961253.db2.gz GSEHWSWEWYYVEW-UHFFFAOYSA-N 0 0 247.697 2.188 10 0 BEAERN COC(OC)[C@H]1C(=O)CCCC1(C)C ZINC000104843489 173965474 /nfs/dbraw/zinc/96/54/74/173965474.db2.gz RVVOXQZRKROZPS-SECBINFHSA-N 0 0 200.278 2.001 10 0 BEAERN COC1(CNc2cc(C)c(C)nn2)CCC1 ZINC000302794649 174005156 /nfs/dbraw/zinc/00/51/56/174005156.db2.gz IUSXAFQNLLQGSH-UHFFFAOYSA-N 0 0 221.304 2.074 10 0 BEAERN COCC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000041575384 174055025 /nfs/dbraw/zinc/05/50/25/174055025.db2.gz UTXRWQHXJLAYNH-SDDRHHMPSA-N 0 0 227.348 2.210 10 0 BEAERN COCC(=O)c1ccc(OC)c(C)c1C ZINC000036200525 174062872 /nfs/dbraw/zinc/06/28/72/174062872.db2.gz WVZKJJFFKCOGLU-UHFFFAOYSA-N 0 0 208.257 2.141 10 0 BEAERN COCC1(NC(=O)OCc2ccccc2)CC1 ZINC000098177524 174108447 /nfs/dbraw/zinc/10/84/47/174108447.db2.gz DVQXUTPTXLPJQI-UHFFFAOYSA-N 0 0 235.283 2.092 10 0 BEAERN COCCCN(C)c1ccc2ncccc2c1N ZINC000062031565 174220003 /nfs/dbraw/zinc/22/00/03/174220003.db2.gz LXVJLOUFYKCPFE-UHFFFAOYSA-N 0 0 245.326 2.290 10 0 BEAERN COCCCN(C)c1cccc(F)c1[C@H](C)O ZINC000062032419 174220222 /nfs/dbraw/zinc/22/02/22/174220222.db2.gz AEPBTEDAUMQLBA-JTQLQIEISA-N 0 0 241.306 2.352 10 0 BEAERN COCCCNc1ccc(OC)c(OC)c1 ZINC000037753675 174252146 /nfs/dbraw/zinc/25/21/46/174252146.db2.gz ZZDGXRKQRKCHTH-UHFFFAOYSA-N 0 0 225.288 2.152 10 0 BEAERN COCCCOCC(=O)c1cc(F)ccc1F ZINC000037747580 174254510 /nfs/dbraw/zinc/25/45/10/174254510.db2.gz WNIBLUXRIXSBIW-UHFFFAOYSA-N 0 0 244.237 2.201 10 0 BEAERN COCCCOc1ccc(N)c2ncccc12 ZINC000037746814 174257282 /nfs/dbraw/zinc/25/72/82/174257282.db2.gz HWEOKQGNUGJPMX-UHFFFAOYSA-N 0 0 232.283 2.232 10 0 BEAERN COCCCn1ccc2c1nccc2F ZINC000095936975 174266543 /nfs/dbraw/zinc/26/65/43/174266543.db2.gz KPGQNZZOQPDWLT-UHFFFAOYSA-N 0 0 208.236 2.212 10 0 BEAERN COCCN(c1ccccc1[C@H](C)O)C1CC1 ZINC000042518791 174302923 /nfs/dbraw/zinc/30/29/23/174302923.db2.gz PCLSWFCOOWHLPC-NSHDSACASA-N 0 0 235.327 2.355 10 0 BEAERN COCCN(c1cccc(F)n1)[C@@H](C)C1CC1 ZINC000042690455 174303098 /nfs/dbraw/zinc/30/30/98/174303098.db2.gz RVSYJSMEWLPAIY-JTQLQIEISA-N 0 0 238.306 2.472 10 0 BEAERN COCCNCC(=O)c1ccc2ccccc2c1 ZINC000041612546 174332517 /nfs/dbraw/zinc/33/25/17/174332517.db2.gz WDHCKIQTOMHVJV-UHFFFAOYSA-N 0 0 243.306 2.259 10 0 BEAERN COCCN[C@H](Cc1ccccc1)C(F)F ZINC000336763086 174340015 /nfs/dbraw/zinc/34/00/15/174340015.db2.gz LXGNPSUTUSCBHT-LLVKDONJSA-N 0 0 229.270 2.099 10 0 BEAERN COCCNc1ccc(Br)cc1N ZINC000034939549 174340703 /nfs/dbraw/zinc/34/07/03/174340703.db2.gz CPEKAZXRQPOWRR-UHFFFAOYSA-N 0 0 245.120 2.090 10 0 BEAERN COCCNc1cc(Cl)nc(C(C)C)n1 ZINC000082509596 174341207 /nfs/dbraw/zinc/34/12/07/174341207.db2.gz YZOZVEREEGWLRL-UHFFFAOYSA-N 0 0 229.711 2.312 10 0 BEAERN COCCNc1nc2c(s1)C[C@@H](C)CC2 ZINC000061714739 174342786 /nfs/dbraw/zinc/34/27/86/174342786.db2.gz HZWVDIVWEZSIKY-QMMMGPOBSA-N 0 0 226.345 2.326 10 0 BEAERN COCCOc1c(Cl)cc(C=O)cc1OC ZINC000034939423 174366915 /nfs/dbraw/zinc/36/69/15/174366915.db2.gz ANBIABPCRRPQGV-UHFFFAOYSA-N 0 0 244.674 2.186 10 0 BEAERN COCCOc1cccc2c1NCCC2 ZINC000019965324 174370213 /nfs/dbraw/zinc/37/02/13/174370213.db2.gz UNJLLWPRLBBLCX-UHFFFAOYSA-N 0 0 207.273 2.070 10 0 BEAERN COCC[C@@H](C)n1nc(C)c(Cl)c1N ZINC000045042943 174388212 /nfs/dbraw/zinc/38/82/12/174388212.db2.gz PUQQCKQLACCOPR-ZCFIWIBFSA-N 0 0 217.700 2.025 10 0 BEAERN COCCc1[nH]nc(N)c1-c1ccc(C)c(C)c1 ZINC000061681240 174424601 /nfs/dbraw/zinc/42/46/01/174424601.db2.gz WVZPCYGMFVLROP-UHFFFAOYSA-N 0 0 245.326 2.465 10 0 BEAERN COC[C@@H](C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000129511493 174437112 /nfs/dbraw/zinc/43/71/12/174437112.db2.gz YNZUVHKEJNMXDH-QWHCGFSZSA-N 0 0 249.354 2.497 10 0 BEAERN COC[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000109483862 174466494 /nfs/dbraw/zinc/46/64/94/174466494.db2.gz RSNJOYRNRFSHGU-SNVBAGLBSA-N 0 0 248.282 2.399 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000171429599 174527565 /nfs/dbraw/zinc/52/75/65/174527565.db2.gz BTGMODMEJDSZJO-IUCAKERBSA-N 0 0 227.329 2.208 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000171429607 174528461 /nfs/dbraw/zinc/52/84/61/174528461.db2.gz BTGMODMEJDSZJO-DTWKUNHWSA-N 0 0 227.329 2.208 10 0 BEAERN COC[C@H](C)N(C)c1ccc(N)c(C)c1 ZINC000042517356 174538135 /nfs/dbraw/zinc/53/81/35/174538135.db2.gz FMKDQVBVHQXVNI-JTQLQIEISA-N 0 0 208.305 2.048 10 0 BEAERN COC[C@H](C)N(C)c1ccc(N)c2ncccc12 ZINC000042517362 174538316 /nfs/dbraw/zinc/53/83/16/174538316.db2.gz SIOJBDADKAVGAJ-JTQLQIEISA-N 0 0 245.326 2.288 10 0 BEAERN COC[C@H](C)Nc1cccnc1Cl ZINC000053173425 174553918 /nfs/dbraw/zinc/55/39/18/174553918.db2.gz JYMCKVFBEZGAHD-ZETCQYMHSA-N 0 0 200.669 2.182 10 0 BEAERN COC[C@H](Nc1cn(C)nc1C(C)C)C1CC1 ZINC000302195839 174588036 /nfs/dbraw/zinc/58/80/36/174588036.db2.gz DBVBLXOGVZFSQT-LBPRGKRZSA-N 0 0 237.347 2.380 10 0 BEAERN COCc1ccccc1NCCCC(=O)OC ZINC000049508291 174635750 /nfs/dbraw/zinc/63/57/50/174635750.db2.gz CNLQYXZGHVPFBY-UHFFFAOYSA-N 0 0 237.299 2.198 10 0 BEAERN CON(C)C(=O)c1cc(Cl)cnc1Cl ZINC000211499917 174658604 /nfs/dbraw/zinc/65/86/04/174658604.db2.gz ALLPXHZTNDHGPE-UHFFFAOYSA-N 0 0 235.070 2.022 10 0 BEAERN CONC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000133897051 174667424 /nfs/dbraw/zinc/66/74/24/174667424.db2.gz GUXAZMFLGPYUGO-CABZTGNLSA-N 0 0 234.299 2.486 10 0 BEAERN CO[C@H]1CCCC[C@@H]1Nc1cccnc1 ZINC000037187229 174874551 /nfs/dbraw/zinc/87/45/51/174874551.db2.gz QZDCAAJRUJHLCL-RYUDHWBXSA-N 0 0 206.289 2.451 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cc(C)cc2ncnn21 ZINC000050374756 174883528 /nfs/dbraw/zinc/88/35/28/174883528.db2.gz ZZFFZSZNDWQDHH-MNOVXSKESA-N 0 0 246.314 2.017 10 0 BEAERN COc1c(Cl)ccc(Cl)c1C(N)=O ZINC000033433485 174930208 /nfs/dbraw/zinc/93/02/08/174930208.db2.gz JOOMBBQLFGMVRE-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN COc1cc(C(=O)N[C@H]2C[C@@H]2C)cc(OC)c1C ZINC000075530100 174948813 /nfs/dbraw/zinc/94/88/13/174948813.db2.gz QQIUSILYKNIKJA-KWQFWETISA-N 0 0 249.310 2.150 10 0 BEAERN COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)[O-] ZINC000049357669 174970562 /nfs/dbraw/zinc/97/05/62/174970562.db2.gz VZUKUIMVBNEZJL-UWVGGRQHSA-N 0 0 237.299 2.127 10 0 BEAERN COc1cc(C)nc(CNCC(F)(F)F)c1 ZINC000125956433 174971996 /nfs/dbraw/zinc/97/19/96/174971996.db2.gz LWOWIQBFHMOWAA-UHFFFAOYSA-N 0 0 234.221 2.051 10 0 BEAERN COc1cc(N)c2nccc(Cl)c2c1 ZINC000000336312 174996280 /nfs/dbraw/zinc/99/62/80/174996280.db2.gz NIDMFIRZHADDJH-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1cc(NCCn2cccn2)cc(OC)c1 ZINC000049314067 175002295 /nfs/dbraw/zinc/00/22/95/175002295.db2.gz GCQAEKSJAFRMHB-UHFFFAOYSA-N 0 0 247.298 2.012 10 0 BEAERN COc1cc(OC)c(CCC(C)=O)c(OC)c1 ZINC000032221852 175007072 /nfs/dbraw/zinc/00/70/72/175007072.db2.gz JQMULQORVMCMQE-UHFFFAOYSA-N 0 0 238.283 2.234 10 0 BEAERN COc1cc2cc(=O)[nH]c(C)c2c(OC)c1 ZINC000028769138 175008577 /nfs/dbraw/zinc/00/85/77/175008577.db2.gz AZWXDYGXDBZITB-UHFFFAOYSA-N 0 0 219.240 2.266 10 0 BEAERN COc1cc(OC)c2c(c1)[C@@H](O)CCC2 ZINC000019727018 175008582 /nfs/dbraw/zinc/00/85/82/175008582.db2.gz RJJSZLNJHAIPNT-NSHDSACASA-N 0 0 208.257 2.074 10 0 BEAERN COc1cc2c(c(OC)c1)NCC2(C)C ZINC000082594262 175009061 /nfs/dbraw/zinc/00/90/61/175009061.db2.gz OFFLZPBRHNLYTQ-UHFFFAOYSA-N 0 0 207.273 2.407 10 0 BEAERN COc1cc2c(c(OC)c1)[C@@H](C)C[C@H]2O ZINC000082618434 175009406 /nfs/dbraw/zinc/00/94/06/175009406.db2.gz DCPAQQKTHYSDFQ-OIBJUYFYSA-N 0 0 208.257 2.244 10 0 BEAERN COc1cc2c(c(OC)c1)[C@H](C)C[C@H]2O ZINC000082618433 175009664 /nfs/dbraw/zinc/00/96/64/175009664.db2.gz DCPAQQKTHYSDFQ-GMSGAONNSA-N 0 0 208.257 2.244 10 0 BEAERN COc1cc([C@@H](C)Nc2cn[nH]c2)ccc1O ZINC000035763833 175014187 /nfs/dbraw/zinc/01/41/87/175014187.db2.gz DWKUCNVNXQPKNA-MRVPVSSYSA-N 0 0 233.271 2.297 10 0 BEAERN COc1cc([C@@H](C)[NH2+][C@H](C)CCO)ccc1F ZINC000124023423 175014465 /nfs/dbraw/zinc/01/44/65/175014465.db2.gz IEBFSFQMOKVPMW-NXEZZACHSA-N 0 0 241.306 2.256 10 0 BEAERN COc1cc([C@H](C)Nc2cnn(C)c2)ccc1O ZINC000035737686 175015794 /nfs/dbraw/zinc/01/57/94/175015794.db2.gz SVRIQWKWYDJHJH-VIFPVBQESA-N 0 0 247.298 2.307 10 0 BEAERN COc1cc([C@H]2CCC2=O)c(OC)cc1C ZINC000095831264 175016552 /nfs/dbraw/zinc/01/65/52/175016552.db2.gz YRKHTCUHLOSRFA-SECBINFHSA-N 0 0 220.268 2.459 10 0 BEAERN COc1cc2[nH]c(C)cc(=O)c2cc1Cl ZINC000064540334 175018592 /nfs/dbraw/zinc/01/85/92/175018592.db2.gz YBAFNTKBWYZCNR-UHFFFAOYSA-N 0 0 223.659 2.499 10 0 BEAERN COc1cc2c(cc1O)CCCCC2=O ZINC000005086722 175023577 /nfs/dbraw/zinc/02/35/77/175023577.db2.gz FINMLVHBTLKKKH-UHFFFAOYSA-N 0 0 206.241 2.310 10 0 BEAERN COc1cc2c(cc1OC)C[C@H](C)N=C2 ZINC000004262286 175024393 /nfs/dbraw/zinc/02/43/93/175024393.db2.gz JPRGVFYGQHOMSM-QMMMGPOBSA-N 0 0 205.257 2.067 10 0 BEAERN COc1cc2c(cc1OC)[C@H](O)CCC2 ZINC000019727021 175025264 /nfs/dbraw/zinc/02/52/64/175025264.db2.gz AYSRPTHMTBIMOJ-SNVBAGLBSA-N 0 0 208.257 2.074 10 0 BEAERN COc1cc2cccnc2c(N2CCCC2)c1N ZINC000082308161 175027458 /nfs/dbraw/zinc/02/74/58/175027458.db2.gz SUDNZAWMEPVPRT-UHFFFAOYSA-N 0 0 243.310 2.426 10 0 BEAERN COc1ccc(-c2c(C)nn(C)c2C)cc1N ZINC000049591145 175029577 /nfs/dbraw/zinc/02/95/77/175029577.db2.gz KSOQROBMLPNWLN-UHFFFAOYSA-N 0 0 231.299 2.295 10 0 BEAERN COc1ccc(-c2cc(N)nc(C)n2)cc1F ZINC000071536759 175031244 /nfs/dbraw/zinc/03/12/44/175031244.db2.gz BPWGIRUSWKLUQF-UHFFFAOYSA-N 0 0 233.246 2.182 10 0 BEAERN COc1ccc(-c2cc(N)sn2)cc1 ZINC000039253157 175032030 /nfs/dbraw/zinc/03/20/30/175032030.db2.gz MYSVJRIBRLABRU-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-c2ccccc2)c(N)n1 ZINC000039117614 175035361 /nfs/dbraw/zinc/03/53/61/175035361.db2.gz UKRYMBOLOOQZKD-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN COc1ccc(-c2cnc(C=O)o2)cc1 ZINC000020445002 175035686 /nfs/dbraw/zinc/03/56/86/175035686.db2.gz WJTAXOKVBRPOBN-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN COc1ccc(-c2n[nH]c(C(C)(C)C)n2)cc1N ZINC000072237660 175037888 /nfs/dbraw/zinc/03/78/88/175037888.db2.gz BHHUWAOLTMJIAM-UHFFFAOYSA-N 0 0 246.314 2.360 10 0 BEAERN COc1ccc(-c2coc(N)n2)cc1F ZINC000050266321 175038112 /nfs/dbraw/zinc/03/81/12/175038112.db2.gz DOSAJKCNHLGPJS-UHFFFAOYSA-N 0 0 208.192 2.072 10 0 BEAERN COc1ccc(-c2nc(C(C)C)no2)c(N)c1 ZINC000082547017 175038780 /nfs/dbraw/zinc/03/87/80/175038780.db2.gz JRKCOGCMHVLBSW-UHFFFAOYSA-N 0 0 233.271 2.451 10 0 BEAERN COc1ccc(-c2ncccc2O)cc1 ZINC000000375092 175040554 /nfs/dbraw/zinc/04/05/54/175040554.db2.gz XRYUYXUOBRWERE-UHFFFAOYSA-N 0 0 201.225 2.463 10 0 aggregator BEAERN COc1ccc(-c2nn(C)c(N)c2C)cc1F ZINC000061669139 175041540 /nfs/dbraw/zinc/04/15/40/175041540.db2.gz KKNJXIRVAIFCNJ-UHFFFAOYSA-N 0 0 235.262 2.125 10 0 BEAERN COc1ccc(N2C(=S)N=NC2C2CC2)cc1 ZINC000006724895 175044125 /nfs/dbraw/zinc/04/41/25/175044125.db2.gz ZLRNDNWPQMOEJR-UHFFFAOYSA-N 0 0 247.323 2.442 10 0 BEAERN COc1ccc(-n2[nH]c(C)cc2=S)cc1 ZINC000062986811 175044695 /nfs/dbraw/zinc/04/46/95/175044695.db2.gz OKVKTQSTMKGWFC-UHFFFAOYSA-N 0 0 220.297 2.478 10 0 BEAERN COc1ccc(C(=O)[C@@H]2CCCOC2)cc1F ZINC000062229464 175065544 /nfs/dbraw/zinc/06/55/44/175065544.db2.gz VPEQILWCXPEFBI-SNVBAGLBSA-N 0 0 238.258 2.444 10 0 BEAERN COc1ccc(C(C)=O)c(O[C@H](C)[C@H](C)O)c1 ZINC000135374119 175067474 /nfs/dbraw/zinc/06/74/74/175067474.db2.gz QEKRGAQLOBGOLM-WCBMZHEXSA-N 0 0 238.283 2.046 10 0 BEAERN COc1ccc(C)cc1C(=O)c1ncccn1 ZINC000055262595 175074007 /nfs/dbraw/zinc/07/40/07/175074007.db2.gz FWEQPWDIARQFRG-UHFFFAOYSA-N 0 0 228.251 2.025 10 0 BEAERN COc1ccc(C)cc1C(=O)c1cnccn1 ZINC000055262587 175074115 /nfs/dbraw/zinc/07/41/15/175074115.db2.gz FZKBGOJJKNAWPD-UHFFFAOYSA-N 0 0 228.251 2.025 10 0 BEAERN COc1ccc(C)cc1[C@H](C)NC1COC1 ZINC000087194827 175081437 /nfs/dbraw/zinc/08/14/37/175081437.db2.gz VRSGCXNLRMJXJB-JTQLQIEISA-N 0 0 221.300 2.053 10 0 BEAERN COc1ccc(C2=NCCC2)c(OC)c1 ZINC000026442946 175085401 /nfs/dbraw/zinc/08/54/01/175085401.db2.gz QWXPZPXPJXDJSV-UHFFFAOYSA-N 0 0 205.257 2.287 10 0 BEAERN COc1ccc(C=O)c(F)c1Br ZINC000089157180 175085967 /nfs/dbraw/zinc/08/59/67/175085967.db2.gz JZZFGKYKWIWFGN-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN COc1ccc(CNC(=O)C2CCCC2)cc1N ZINC000037905406 175104248 /nfs/dbraw/zinc/10/42/48/175104248.db2.gz BWIZNXPVYMZQCA-UHFFFAOYSA-N 0 0 248.326 2.084 10 0 BEAERN COc1ccc(Cl)cc1N1CC[C@@H](CO)C1 ZINC000011892920 175121007 /nfs/dbraw/zinc/12/10/07/175121007.db2.gz FNANBSUWTNYCMR-SECBINFHSA-N 0 0 241.718 2.167 10 0 BEAERN COc1ccc(Cl)cc1N[C@H](C)CC(N)=O ZINC000041287471 175121654 /nfs/dbraw/zinc/12/16/54/175121654.db2.gz KICAXRIWTHKIDC-SSDOTTSWSA-N 0 0 242.706 2.024 10 0 BEAERN COc1ccc(N)c(C(=O)N2CCC[C@H](C)C2)c1 ZINC000037846665 175137253 /nfs/dbraw/zinc/13/72/53/175137253.db2.gz XGADLVZGJFBQMR-JTQLQIEISA-N 0 0 248.326 2.150 10 0 BEAERN COc1ccc(N)c(C(=O)N(C)[C@H](C)C2CC2)c1 ZINC000037846994 175137545 /nfs/dbraw/zinc/13/75/45/175137545.db2.gz JDGVECOIHYRRBZ-SECBINFHSA-N 0 0 248.326 2.148 10 0 BEAERN COc1ccc(N)cc1Oc1nccc(C)n1 ZINC000061859550 175138454 /nfs/dbraw/zinc/13/84/54/175138454.db2.gz JKWVFAGZRPQUHD-UHFFFAOYSA-N 0 0 231.255 2.168 10 0 BEAERN COc1ccc(NCc2cnn(C)c2)cc1C ZINC000049528389 175152220 /nfs/dbraw/zinc/15/22/20/175152220.db2.gz XOUZCGDNWUCLLP-UHFFFAOYSA-N 0 0 231.299 2.349 10 0 BEAERN COc1ccc(N[C@H](C(N)=O)C2CCCC2)cc1 ZINC000050272520 175154923 /nfs/dbraw/zinc/15/49/23/175154923.db2.gz USGVLULPZRZFMG-ZDUSSCGKSA-N 0 0 248.326 2.151 10 0 BEAERN COc1ccc(OC)c(/C=C/[C@H](C)O)c1 ZINC000077301533 175163629 /nfs/dbraw/zinc/16/36/29/175163629.db2.gz CHKRJXAFQRHRSD-MOVJSRMASA-N 0 0 208.257 2.098 10 0 BEAERN COc1ccc(OC)c([C@@H](N)c2ccccn2)c1 ZINC000011832323 175168219 /nfs/dbraw/zinc/16/82/19/175168219.db2.gz VIQQTJYIZRMAFC-CQSZACIVSA-N 0 0 244.294 2.147 10 0 BEAERN COc1ccc(OC)c2c1C[C@@H](C)CN2 ZINC000011633224 175170299 /nfs/dbraw/zinc/17/02/99/175170299.db2.gz HAIDAJGYSWYVAU-MRVPVSSYSA-N 0 0 207.273 2.308 10 0 BEAERN COc1ccc(OC)c2c1CCC(=O)[C@H]2C ZINC000037631691 175170345 /nfs/dbraw/zinc/17/03/45/175170345.db2.gz OUXXOKZZVZVTIR-MRVPVSSYSA-N 0 0 220.268 2.323 10 0 BEAERN COc1ccc(OC)c2c1SCCC2=O ZINC000034728388 175170722 /nfs/dbraw/zinc/17/07/22/175170722.db2.gz TVVWOWGNYUTHMZ-UHFFFAOYSA-N 0 0 224.281 2.382 10 0 BEAERN COc1ccc(OC)c2c1c(C=O)cn2C ZINC000058823877 175171081 /nfs/dbraw/zinc/17/10/81/175171081.db2.gz MRGGMXMWQSIMMP-UHFFFAOYSA-N 0 0 219.240 2.008 10 0 BEAERN COc1ccc(Oc2cc(C)nc(C)n2)c(N)c1 ZINC000037756847 175173620 /nfs/dbraw/zinc/17/36/20/175173620.db2.gz WYCFYBUMXYHWLE-UHFFFAOYSA-N 0 0 245.282 2.477 10 0 BEAERN COc1ccc([C@@H]2Cc3n[nH]cc3[C@H](O)C2)cc1 ZINC000072415192 175185656 /nfs/dbraw/zinc/18/56/56/175185656.db2.gz CABAMYJWUPJCQX-QMTHXVAHSA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccc([C@H](O)c2ccncc2)c(OC)c1 ZINC000040248071 175193879 /nfs/dbraw/zinc/19/38/79/175193879.db2.gz JTIJFOFILUSQDJ-CQSZACIVSA-N 0 0 245.278 2.181 10 0 BEAERN COc1ccc([C@H]2Cc3n[nH]cc3[C@H](O)C2)cc1 ZINC000072415193 175197611 /nfs/dbraw/zinc/19/76/11/175197611.db2.gz CABAMYJWUPJCQX-IINYFYTJSA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccc2[nH]c(Cl)c(CO)c2c1 ZINC000071465477 175202040 /nfs/dbraw/zinc/20/20/40/175202040.db2.gz UHQMHQNBCMHWBG-UHFFFAOYSA-N 0 0 211.648 2.322 10 0 BEAERN COc1ccc2[nH]ccc2c1OC(C)=O ZINC000036438726 175202962 /nfs/dbraw/zinc/20/29/62/175202962.db2.gz DHQNBRAMBXKOST-UHFFFAOYSA-N 0 0 205.213 2.102 10 0 BEAERN COc1ccc2c(N)c3c(nc2c1)CCCC3=O ZINC000034192533 175204972 /nfs/dbraw/zinc/20/49/72/175204972.db2.gz WMLMRDSLHWHTTP-UHFFFAOYSA-N 0 0 242.278 2.345 10 0 BEAERN COc1ccc2c(c1)CCN2c1nccc(C)n1 ZINC000122709340 175209217 /nfs/dbraw/zinc/20/92/17/175209217.db2.gz LZVBZBYOQAKQDZ-UHFFFAOYSA-N 0 0 241.294 2.488 10 0 BEAERN COc1ccc2c3c(/c(=N\O)oc2c1)CCC3 ZINC000032500163 175223516 /nfs/dbraw/zinc/22/35/16/175223516.db2.gz JYFGMYAZTCTSHC-BUHFOSPRSA-N 0 0 231.251 2.220 10 0 BEAERN COc1cccc(-c2nc(C)cc(N)n2)c1 ZINC000050845103 175235951 /nfs/dbraw/zinc/23/59/51/175235951.db2.gz SNFKYCXWZKQGIS-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1cccc(-n2nc(C)c(C=O)c2C)c1 ZINC000032015890 175239275 /nfs/dbraw/zinc/23/92/75/175239275.db2.gz XTVZYJWTNZEOMR-UHFFFAOYSA-N 0 0 230.267 2.310 10 0 BEAERN COc1cccc(/C=C2\N=C(C)OC2=O)c1 ZINC000013925067 175240860 /nfs/dbraw/zinc/24/08/60/175240860.db2.gz PWPKCQPPIDXVNX-XFFZJAGNSA-N 0 0 217.224 2.011 10 0 BEAERN COc1cccc(C(=O)CN2CCC[C@H]2C)c1 ZINC000037911576 175242875 /nfs/dbraw/zinc/24/28/75/175242875.db2.gz XPYYEWHNUADJPR-LLVKDONJSA-N 0 0 233.311 2.362 10 0 BEAERN COc1cccc(C(=O)NCc2ccc[nH]2)c1F ZINC000120458207 175245612 /nfs/dbraw/zinc/24/56/12/175245612.db2.gz ZIRJNHLQAWKGDA-UHFFFAOYSA-N 0 0 248.257 2.092 10 0 BEAERN COc1cccc(CCC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075521932 175250622 /nfs/dbraw/zinc/25/06/22/175250622.db2.gz LANAQQFWHFQUFK-GWCFXTLKSA-N 0 0 233.311 2.152 10 0 BEAERN COc1cccc(CN2[C@H](C)COC[C@@H]2C)c1 ZINC000077657890 175261411 /nfs/dbraw/zinc/26/14/11/175261411.db2.gz PPJYGCRFUCZLTA-TXEJJXNPSA-N 0 0 235.327 2.304 10 0 BEAERN COc1cccc(COCc2ccc(N)nc2)c1 ZINC000050830158 175270152 /nfs/dbraw/zinc/27/01/52/175270152.db2.gz AKXZCSRDTLEZHN-UHFFFAOYSA-N 0 0 244.294 2.389 10 0 BEAERN COc1cccc(NC[C@@H](O)c2ccccc2)n1 ZINC000104117710 175279043 /nfs/dbraw/zinc/27/90/43/175279043.db2.gz VSPQAKGMWQSODY-GFCCVEGCSA-N 0 0 244.294 2.236 10 0 BEAERN COc1cccc(NCc2ncccn2)c1 ZINC000054459035 175279144 /nfs/dbraw/zinc/27/91/44/175279144.db2.gz RTLKJTZVKYGEQC-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN COc1cccc(NCc2[nH]cnc2C)c1 ZINC000054793922 175279391 /nfs/dbraw/zinc/27/93/91/175279391.db2.gz WPXYCCOKMHVHNC-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1cccc(OC)c1CNCC(F)(F)F ZINC000037973954 175281638 /nfs/dbraw/zinc/28/16/38/175281638.db2.gz DTEVKKDVQYWFJH-UHFFFAOYSA-N 0 0 249.232 2.356 10 0 BEAERN COc1cccc([C@@H](N)C(F)(F)F)c1F ZINC000072194902 175288529 /nfs/dbraw/zinc/28/85/29/175288529.db2.gz QWKIAJWKDXXEJO-MRVPVSSYSA-N 0 0 223.169 2.396 10 0 BEAERN COc1cccc([C@@H]([NH2+]C2CCCC2)C(=O)[O-])c1 ZINC000037969142 175289007 /nfs/dbraw/zinc/28/90/07/175289007.db2.gz SCXLJFKHQGFIRA-CYBMUJFWSA-N 0 0 249.310 2.353 10 0 BEAERN COc1cccc([C@H](CC(=O)[O-])[NH+]2CCCC2)c1 ZINC000057537597 175294470 /nfs/dbraw/zinc/29/44/70/175294470.db2.gz OXSXLFCFMHBJMJ-ZDUSSCGKSA-N 0 0 249.310 2.307 10 0 BEAERN COc1cccc([C@H]2CN(CC3CC3)CCO2)c1 ZINC000119100136 175295890 /nfs/dbraw/zinc/29/58/90/175295890.db2.gz DDSRVXRNHIARDU-OAHLLOKOSA-N 0 0 247.338 2.479 10 0 BEAERN COc1cccc2c(C)c(C)oc(=O)c12 ZINC000098179013 175298664 /nfs/dbraw/zinc/29/86/64/175298664.db2.gz FSZCFAWXHOERNE-UHFFFAOYSA-N 0 0 204.225 2.418 10 0 BEAERN COc1cccc2c1CCc1sc(N)nc1-2 ZINC000096906405 175302933 /nfs/dbraw/zinc/30/29/33/175302933.db2.gz RVRXGFWHCVTYRK-UHFFFAOYSA-N 0 0 232.308 2.500 10 0 BEAERN COc1ccccc1-c1cn2ncsc2n1 ZINC000040963508 175309945 /nfs/dbraw/zinc/30/99/45/175309945.db2.gz GNAQUPRFMBCAOF-UHFFFAOYSA-N 0 0 231.280 2.466 10 0 BEAERN COc1ccccc1-c1nc(C)cc(N)n1 ZINC000050845118 175310983 /nfs/dbraw/zinc/31/09/83/175310983.db2.gz BMRMJGOKHVIIGP-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccccc1-c1ncsc1N ZINC000050307988 175312279 /nfs/dbraw/zinc/31/22/79/175312279.db2.gz PGFLLQJSRFMWMV-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccccc1C(=O)CN1CCC[C@@H]1C ZINC000037911575 175316584 /nfs/dbraw/zinc/31/65/84/175316584.db2.gz POHKLMIBMXRRFN-NSHDSACASA-N 0 0 233.311 2.362 10 0 BEAERN COc1ccccc1CCC(=O)N[C@@H]1C[C@@H]1C ZINC000171071752 175322272 /nfs/dbraw/zinc/32/22/72/175322272.db2.gz QVURTPIIZJQCRJ-CMPLNLGQSA-N 0 0 233.311 2.152 10 0 BEAERN COc1ccccc1C[C@@H](N)C(F)(F)F ZINC000082366881 175332893 /nfs/dbraw/zinc/33/28/93/175332893.db2.gz QBTHFIYAMWNLPG-SECBINFHSA-N 0 0 219.206 2.127 10 0 BEAERN COc1ccccc1Cc1ncc(CO)s1 ZINC000062201153 175334645 /nfs/dbraw/zinc/33/46/45/175334645.db2.gz PLFZGDYHDAUYGL-UHFFFAOYSA-N 0 0 235.308 2.235 10 0 BEAERN COc1ccccc1N[C@H]1CCC[C@@H]1O ZINC000037689655 175339068 /nfs/dbraw/zinc/33/90/68/175339068.db2.gz ITFIJCOSOKPITF-ONGXEEELSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccccc1N[C@H]1CCC[C@H]1O ZINC000037689657 175339207 /nfs/dbraw/zinc/33/92/07/175339207.db2.gz ITFIJCOSOKPITF-GXSJLCMTSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccccc1N[C@](C)(C(N)=O)C(C)C ZINC000037944778 175339473 /nfs/dbraw/zinc/33/94/73/175339473.db2.gz SYBPJTPWVWLILW-ZDUSSCGKSA-N 0 0 236.315 2.007 10 0 BEAERN COc1ccccc1[C@@H](O)Cn1nc(C)cc1C ZINC000041297290 175347727 /nfs/dbraw/zinc/34/77/27/175347727.db2.gz PIWRZZRWJXXJLX-ZDUSSCGKSA-N 0 0 246.310 2.242 10 0 BEAERN COc1ccccc1[C@@H]1Cc2n[nH]cc2[C@@H](O)C1 ZINC000072415218 175349489 /nfs/dbraw/zinc/34/94/89/175349489.db2.gz CAWYJYSINXHUFK-RNCFNFMXSA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccccc1[C@H](C)NCc1nc(C)no1 ZINC000037980620 175352321 /nfs/dbraw/zinc/35/23/21/175352321.db2.gz FENOLQAJSIVUAE-VIFPVBQESA-N 0 0 247.298 2.237 10 0 BEAERN COc1ccnc(N[C@H](C)C(C)(C)C)n1 ZINC000133145575 175367396 /nfs/dbraw/zinc/36/73/96/175367396.db2.gz FPPVTCKOOUAQBY-MRVPVSSYSA-N 0 0 209.293 2.332 10 0 BEAERN COc1cncc(OC2CC2)c1OC(C)C ZINC000095731158 175386434 /nfs/dbraw/zinc/38/64/34/175386434.db2.gz QFMQUBWYGWOJDK-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1nc(F)nc(C(F)(F)F)c1Cl ZINC000098180171 175392863 /nfs/dbraw/zinc/39/28/63/175392863.db2.gz PWNOIGQLJXJMBK-UHFFFAOYSA-N 0 0 230.548 2.297 10 0 BEAERN COc1ncc2c(Br)cccc2n1 ZINC000082328906 175401258 /nfs/dbraw/zinc/40/12/58/175401258.db2.gz YTXWHULBANEIOJ-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN CSC1(CNc2cc(C)c(C)nn2)CC1 ZINC000302846442 175454182 /nfs/dbraw/zinc/45/41/82/175454182.db2.gz GRFOWWPDFYTULR-UHFFFAOYSA-N 0 0 223.345 2.401 10 0 BEAERN CSCCCC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000121629365 175470016 /nfs/dbraw/zinc/47/00/16/175470016.db2.gz NKDASAZEPPYSJC-ZJUUUORDSA-N 0 0 247.429 2.482 10 0 BEAERN CSc1nc(C=O)ccc1OC1CC1 ZINC000095733413 175588098 /nfs/dbraw/zinc/58/80/98/175588098.db2.gz RADGJERGRXMBCB-UHFFFAOYSA-N 0 0 209.270 2.157 10 0 BEAERN CSc1nnc(C(C)=O)n1Cc1ccccc1 ZINC000075844491 175591919 /nfs/dbraw/zinc/59/19/19/175591919.db2.gz XTPGRWWKDYWHLK-UHFFFAOYSA-N 0 0 247.323 2.251 10 0 BEAERN C[C@@H](CC(N)=O)c1ccc(Br)s1 ZINC000041300289 175654091 /nfs/dbraw/zinc/65/40/91/175654091.db2.gz PNWTXPBPZFXKAE-YFKPBYRVSA-N 0 0 248.145 2.490 10 0 BEAERN C[C@@H](Nc1ccnc2cccnc21)[C@@H]1CCCO1 ZINC000338643513 175822728 /nfs/dbraw/zinc/82/27/28/175822728.db2.gz HPCIEAOIAHHZQL-MFKMUULPSA-N 0 0 243.310 2.031 10 0 BEAERN C[C@@H](NC(=O)N[C@@H]1COc2ccccc21)C1CC1 ZINC000058577301 175840226 /nfs/dbraw/zinc/84/02/26/175840226.db2.gz DXKZLXCPWIJBDD-BXKDBHETSA-N 0 0 246.310 2.218 10 0 BEAERN C[C@@H](Nc1ccc(Cl)nn1)[C@H]1CCCO1 ZINC000035735351 175930799 /nfs/dbraw/zinc/93/07/99/175930799.db2.gz XGXOFRQUMDLCEZ-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@@H](Nc1ccccc1)C(=O)N1CCCC1 ZINC000055420911 175933944 /nfs/dbraw/zinc/93/39/44/175933944.db2.gz BWMHFYHPFBCMPG-LLVKDONJSA-N 0 0 218.300 2.109 10 0 BEAERN C[C@@H](Nc1ccccc1)C(=O)NC(C)(C)C ZINC000020312309 175934054 /nfs/dbraw/zinc/93/40/54/175934054.db2.gz BGGMSYHMTBRVQG-SNVBAGLBSA-N 0 0 220.316 2.402 10 0 BEAERN C[C@@H](O)c1ccc(NC(=O)[C@H]2CCCOC2)cc1 ZINC000062238707 175998977 /nfs/dbraw/zinc/99/89/77/175998977.db2.gz VTLOTXUUJBPLJI-PWSUYJOCSA-N 0 0 249.310 2.105 10 0 BEAERN C[C@@H](O)c1cnc2c(Br)cccn12 ZINC000098169478 176000027 /nfs/dbraw/zinc/00/00/27/176000027.db2.gz TUUDJZOFHWNMKK-ZCFIWIBFSA-N 0 0 241.088 2.150 10 0 BEAERN C[C@@H](O)c1ccccc1NC[C@H]1CCOC1 ZINC000049542433 176000211 /nfs/dbraw/zinc/00/02/11/176000211.db2.gz BVZSLGJAOZVKCZ-GHMZBOCLSA-N 0 0 221.300 2.188 10 0 BEAERN C[C@@H](O)c1cncnc1-c1ccccc1 ZINC000072416921 176000378 /nfs/dbraw/zinc/00/03/78/176000378.db2.gz SOWZKHPULRQQHP-SECBINFHSA-N 0 0 200.241 2.197 10 0 BEAERN C[C@@H](Oc1ccccc1Cl)C(N)=S ZINC000041228717 176006214 /nfs/dbraw/zinc/00/62/14/176006214.db2.gz SWYVXALLHGOVGO-ZCFIWIBFSA-N 0 0 215.705 2.393 10 0 BEAERN C[C@@H](Oc1ccccc1N)C(=O)N1CCCCC1 ZINC000037985337 176006600 /nfs/dbraw/zinc/00/66/00/176006600.db2.gz IEVZMMJBZKPVBC-LLVKDONJSA-N 0 0 248.326 2.049 10 0 BEAERN C[C@@H](Oc1ncc(N)cn1)c1ccccc1 ZINC000040456045 176006675 /nfs/dbraw/zinc/00/66/75/176006675.db2.gz MOXHUCFICICWHI-SECBINFHSA-N 0 0 215.256 2.199 10 0 BEAERN C[C@@H](Sc1nc[nH]n1)c1cccc(N)c1 ZINC000040908587 176010528 /nfs/dbraw/zinc/01/05/28/176010528.db2.gz XSMVUUXFKPYUSC-SSDOTTSWSA-N 0 0 220.301 2.240 10 0 BEAERN C[C@@H](c1ccc(N)cc1)N1CCCOC1=O ZINC000041054543 176015526 /nfs/dbraw/zinc/01/55/26/176015526.db2.gz ZUZRTZSUQFWGGU-VIFPVBQESA-N 0 0 220.272 2.172 10 0 BEAERN C[C@@H](c1cccc(N)c1)N(C)Cc1nccn1C ZINC000062247137 176017952 /nfs/dbraw/zinc/01/79/52/176017952.db2.gz IRQGHMLJVLKVJE-NSHDSACASA-N 0 0 244.342 2.195 10 0 BEAERN C[C@@H](c1ccccc1)N1CC[C@@H]2C[C@H]1C(=O)O2 ZINC000034506184 176022270 /nfs/dbraw/zinc/02/22/70/176022270.db2.gz WJAONTKZWYIENP-UHTWSYAYSA-N 0 0 231.295 2.137 10 0 BEAERN C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000075981299 176032204 /nfs/dbraw/zinc/03/22/04/176032204.db2.gz HQUGBOLITKXCMT-UTLUCORTSA-N 0 0 222.288 2.390 10 0 BEAERN C[C@@H]1C(=O)NCc2ccc(Br)cc21 ZINC000117619804 176047167 /nfs/dbraw/zinc/04/71/67/176047167.db2.gz RFNPZXTXHHIFHO-LURJTMIESA-N 0 0 240.100 2.182 10 0 BEAERN C[C@@H]1CC(=O)CN(Cc2ccccc2)[C@@H]1C ZINC000068593131 176048484 /nfs/dbraw/zinc/04/84/84/176048484.db2.gz GBNPXKCPQPNLBB-VXGBXAGGSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(N)c[nH]1 ZINC000042828502 176076122 /nfs/dbraw/zinc/07/61/22/176076122.db2.gz JJVDCFJSRZNTBT-NXEZZACHSA-N 0 0 235.331 2.153 10 0 BEAERN C[C@@H]1CCCC[C@@H]1Nc1ncc(N)cn1 ZINC000040455328 176081319 /nfs/dbraw/zinc/08/13/19/176081319.db2.gz JRLSWGSJIUOFCC-SCZZXKLOSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@@H]1CCCC[C@@H]1c1nc(-c2ncon2)no1 ZINC000333568189 176082724 /nfs/dbraw/zinc/08/27/24/176082724.db2.gz LZRUDTHQGQJZCC-SFYZADRCSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2cc(N)ccc2F)C1 ZINC000035651244 176094368 /nfs/dbraw/zinc/09/43/68/176094368.db2.gz FQRYVELRHMPAAN-SECBINFHSA-N 0 0 236.290 2.280 10 0 BEAERN C[C@@H]1CCC[C@@H](OCCn2cc(N)cn2)C1 ZINC000050615161 176125068 /nfs/dbraw/zinc/12/50/68/176125068.db2.gz CPZHVNDMYQOTLS-ZYHUDNBSSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@@H]1CCC[C@@H](Oc2ncc(N)cn2)C1 ZINC000040456104 176125483 /nfs/dbraw/zinc/12/54/83/176125483.db2.gz OEXAIGIVOUVQMM-PSASIEDQSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000300419292 176127039 /nfs/dbraw/zinc/12/70/39/176127039.db2.gz VIFCCCSWEDRCHU-XQHKEYJVSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@](CO)(NC(=O)NC(C)(C)C)C1 ZINC000053107640 176134028 /nfs/dbraw/zinc/13/40/28/176134028.db2.gz GXJDZMPIQQJVIO-ZWNOBZJWSA-N 0 0 242.363 2.025 10 0 BEAERN C[C@@H]1CCC[C@H](N(C)C(=O)c2cccnc2N)C1 ZINC000050707487 176140940 /nfs/dbraw/zinc/14/09/40/176140940.db2.gz UBDHPBZLMYIMNO-MNOVXSKESA-N 0 0 247.342 2.315 10 0 BEAERN C[C@@H]1CCC[C@H](OCCn2cc(N)cn2)C1 ZINC000050615159 176145886 /nfs/dbraw/zinc/14/58/86/176145886.db2.gz CPZHVNDMYQOTLS-PWSUYJOCSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC[C@H](O)CC(C)(C)C ZINC000300240610 176147199 /nfs/dbraw/zinc/14/71/99/176147199.db2.gz SDNMVTBZTMMTOF-IJLUTSLNSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@@H]1CC[NH2+]Cc2nc(-c3ccccn3)oc21 ZINC000091301869 176186038 /nfs/dbraw/zinc/18/60/38/176186038.db2.gz DBALDJNUIDSXOB-SECBINFHSA-N 0 0 229.283 2.333 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(F)c2)O1 ZINC000122047726 176196490 /nfs/dbraw/zinc/19/64/90/176196490.db2.gz TUTXNSTVIMUTIE-HQJQHLMTSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2)O1 ZINC000121739397 176221385 /nfs/dbraw/zinc/22/13/85/176221385.db2.gz NFADBRRMHIDORC-LDYMZIIASA-N 0 0 223.247 2.332 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC2(C)C)O1 ZINC000119875935 176221490 /nfs/dbraw/zinc/22/14/90/176221490.db2.gz CSLREDOMCAWKEG-GMTAPVOTSA-N 0 0 225.332 2.249 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(F)c2)O1 ZINC000122047306 176221577 /nfs/dbraw/zinc/22/15/77/176221577.db2.gz TUTXNSTVIMUTIE-RDDDGLTNSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CCc2cc3c(cc2[C@H](O)C1)OCCO3 ZINC000061831963 176239086 /nfs/dbraw/zinc/23/90/86/176239086.db2.gz MDCDSXQVQFATAW-BXKDBHETSA-N 0 0 234.295 2.464 10 0 BEAERN C[C@@H]1CN(CC(C)(C)O)c2ccccc21 ZINC000303975368 176284464 /nfs/dbraw/zinc/28/44/64/176284464.db2.gz BJFXCPILSVCYKC-SNVBAGLBSA-N 0 0 205.301 2.381 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1cccs1 ZINC000075528045 176398695 /nfs/dbraw/zinc/39/86/95/176398695.db2.gz NMGORTDRFQOYRS-OBKXUREESA-N 0 0 207.298 2.286 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000075507893 176399209 /nfs/dbraw/zinc/39/92/09/176399209.db2.gz SVNYIXZUOATXSR-KCJUWKMLSA-N 0 0 223.703 2.407 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCSc1ccccn1 ZINC000151218316 176399957 /nfs/dbraw/zinc/39/99/57/176399957.db2.gz ZRYBLVGUNBFESO-ZJUUUORDSA-N 0 0 236.340 2.088 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063011870 176403592 /nfs/dbraw/zinc/40/35/92/176403592.db2.gz HZFXOSONDMVVPG-ANLVUFKYSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)NCC1(C)CCCC1 ZINC000108885569 176442951 /nfs/dbraw/zinc/44/29/51/176442951.db2.gz CIAJJFAUEJKCJM-NXEZZACHSA-N 0 0 210.321 2.274 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nnc(C(C)(C)C)s1 ZINC000301853237 176482323 /nfs/dbraw/zinc/48/23/23/176482323.db2.gz AEEXSXZEESOFEV-JGVFFNPUSA-N 0 0 241.360 2.425 10 0 BEAERN C[C@@]([NH2+]C1CCCC1)(C(=O)[O-])c1cccc(O)c1 ZINC000037968846 176513192 /nfs/dbraw/zinc/51/31/92/176513192.db2.gz NLOVEEVRGYHFIB-AWEZNQCLSA-N 0 0 249.310 2.224 10 0 BEAERN C[C@@H](C(N)=S)C(=O)Nc1ccccc1Cl ZINC000044831641 176580805 /nfs/dbraw/zinc/58/08/05/176580805.db2.gz PFEOXVOWJSDMJT-LURJTMIESA-N 0 0 242.731 2.201 10 0 BEAERN C[C@H](CCO)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000121475247 176634871 /nfs/dbraw/zinc/63/48/71/176634871.db2.gz PUZWZAGWRBQUQN-RTXFEEFZSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H](CO)Nc1cccc(Br)c1 ZINC000038118400 176707476 /nfs/dbraw/zinc/70/74/76/176707476.db2.gz MBQLLYGYMWYGAY-SSDOTTSWSA-N 0 0 230.105 2.242 10 0 BEAERN C[C@H](Cc1ccccc1)n1nccc1N ZINC000039320445 176724727 /nfs/dbraw/zinc/72/47/27/176724727.db2.gz FBAMSFKKQIEHPX-SNVBAGLBSA-N 0 0 201.273 2.269 10 0 BEAERN C[C@H](Cn1cccn1)Nc1ccc(N)cc1F ZINC000042539078 176731488 /nfs/dbraw/zinc/73/14/88/176731488.db2.gz DFNVUVXRDGEMES-SECBINFHSA-N 0 0 234.278 2.105 10 0 BEAERN C[C@H](NC(=O)c1ccc(N)cc1)c1ccco1 ZINC000035738308 176818524 /nfs/dbraw/zinc/81/85/24/176818524.db2.gz KWMSCERCMBFFSK-VIFPVBQESA-N 0 0 230.267 2.353 10 0 BEAERN C[C@H](Nc1cccc(CO)c1)c1cc[nH]n1 ZINC000037907697 176934862 /nfs/dbraw/zinc/93/48/62/176934862.db2.gz POKBXSFATZIOJI-VIFPVBQESA-N 0 0 217.272 2.075 10 0 BEAERN C[C@H](Nc1ncc(N)cn1)c1ccsc1 ZINC000061361145 176939401 /nfs/dbraw/zinc/93/94/01/176939401.db2.gz DOQUJUTWUYTQMC-ZETCQYMHSA-N 0 0 220.301 2.293 10 0 BEAERN C[C@H](Nc1ncccn1)c1ccncc1 ZINC000035122263 176940487 /nfs/dbraw/zinc/94/04/87/176940487.db2.gz PKQYVBRLISLBDW-VIFPVBQESA-N 0 0 200.245 2.045 10 0 BEAERN C[C@@H](Nc1cc(Br)ccn1)[C@H](C)O ZINC000307761169 177005012 /nfs/dbraw/zinc/00/50/12/177005012.db2.gz YHRAEWKBCXYYLS-RQJHMYQMSA-N 0 0 245.120 2.025 10 0 BEAERN C[C@@H](Oc1cc(F)ccc1F)[C@H](C)O ZINC000070820109 177005612 /nfs/dbraw/zinc/00/56/12/177005612.db2.gz ZSBKOEWLMLGXMW-NKWVEPMBSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@@H](Oc1ccc(F)c(F)c1)[C@H](C)O ZINC000087139052 177005766 /nfs/dbraw/zinc/00/57/66/177005766.db2.gz ZBBYDMATSLVLAX-NKWVEPMBSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@@H](Oc1ccc(Cl)cc1)[C@H](C)O ZINC000087138813 177005768 /nfs/dbraw/zinc/00/57/68/177005768.db2.gz VYEICRXXVGEASE-JGVFFNPUSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@H](O)c1ccc(-n2cccn2)c(F)c1 ZINC000035631796 177016664 /nfs/dbraw/zinc/01/66/64/177016664.db2.gz ORNJAZNBTXRTHF-QMMMGPOBSA-N 0 0 206.220 2.065 10 0 BEAERN C[C@H](O)c1ccc(OCCn2cccn2)cc1 ZINC000049325562 177016984 /nfs/dbraw/zinc/01/69/84/177016984.db2.gz VUIMMJFEGNCLAK-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN C[C@H](O)c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000037691984 177017290 /nfs/dbraw/zinc/01/72/90/177017290.db2.gz KBJQSCPMZRYBAX-BPNCWPANSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1ccccc1NCc1c[nH]cn1 ZINC000054765232 177017987 /nfs/dbraw/zinc/01/79/87/177017987.db2.gz PJUMSFHNWWXCPD-VIFPVBQESA-N 0 0 217.272 2.075 10 0 BEAERN C[C@H](O)c1ccccc1OCc1cnn(C)c1 ZINC000035626919 177018160 /nfs/dbraw/zinc/01/81/60/177018160.db2.gz CPBAWODWDLJPAZ-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN C[C@H](O)c1ccccc1NCc1ccnn1C ZINC000049542873 177018209 /nfs/dbraw/zinc/01/82/09/177018209.db2.gz DIQFKXSYFVEJDE-JTQLQIEISA-N 0 0 231.299 2.086 10 0 BEAERN C[C@H](O)c1nc2c(cccc2Br)[nH]1 ZINC000057348336 177018874 /nfs/dbraw/zinc/01/88/74/177018874.db2.gz GYFRPZWIOVGASB-YFKPBYRVSA-N 0 0 241.088 2.379 10 0 BEAERN C[C@H](OC[C@@H]1CCOC1)c1ccc(N)cc1 ZINC000049688920 177021090 /nfs/dbraw/zinc/02/10/90/177021090.db2.gz ZYQPEDLYPIXLHJ-WDEREUQCSA-N 0 0 221.300 2.383 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1cc(F)ccc1F ZINC000070820113 177022218 /nfs/dbraw/zinc/02/22/18/177022218.db2.gz ZSBKOEWLMLGXMW-RQJHMYQMSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054933770 177022657 /nfs/dbraw/zinc/02/26/57/177022657.db2.gz NHLWCUKOVNVLMZ-RQJHMYQMSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000044232458 177022908 /nfs/dbraw/zinc/02/29/08/177022908.db2.gz FBSVZCAODRTXRK-ZJUUUORDSA-N 0 0 206.285 2.323 10 0 BEAERN C[C@H](Sc1nncn1C)c1ccc(N)cc1 ZINC000040909288 177030618 /nfs/dbraw/zinc/03/06/18/177030618.db2.gz WSNMNXDKCKHGDQ-QMMMGPOBSA-N 0 0 234.328 2.251 10 0 BEAERN C[C@H](c1ccccc1N)N1CCCCC1=O ZINC000037178225 177042818 /nfs/dbraw/zinc/04/28/18/177042818.db2.gz NYJCICXPNLBKPI-SNVBAGLBSA-N 0 0 218.300 2.342 10 0 BEAERN C[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1=O ZINC000169616728 177060398 /nfs/dbraw/zinc/06/03/98/177060398.db2.gz BTDSRZRPAVDUQC-NEPJUHHUSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CCCCN1C(=O)c1cc(N)ccc1F ZINC000035651226 177074137 /nfs/dbraw/zinc/07/41/37/177074137.db2.gz ANIMZCKWEMHMQT-VIFPVBQESA-N 0 0 236.290 2.423 10 0 BEAERN C[C@H]1CCCC[C@@H]1NC(=O)CCc1ccnn1C ZINC000118946685 177081844 /nfs/dbraw/zinc/08/18/44/177081844.db2.gz HCMOVFQCAGQBMJ-AAEUAGOBSA-N 0 0 249.358 2.048 10 0 BEAERN C[C@H]1CCCC[C@@H]1Nc1ccc(=O)n(C)c1 ZINC000037785432 177083340 /nfs/dbraw/zinc/08/33/40/177083340.db2.gz BTBJBLXODODQHG-JQWIXIFHSA-N 0 0 220.316 2.376 10 0 BEAERN C[C@H]1CCCC[C@@H]1OC(=O)c1cc(N)c[nH]1 ZINC000041046730 177083368 /nfs/dbraw/zinc/08/33/68/177083368.db2.gz PYPDVSIUHMOSKF-KWQFWETISA-N 0 0 222.288 2.332 10 0 BEAERN C[C@H]1CCCC[C@@H]1OCCC(N)=S ZINC000019518637 177084512 /nfs/dbraw/zinc/08/45/12/177084512.db2.gz ZGNFLASELDJQKW-IUCAKERBSA-N 0 0 201.335 2.258 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cccc(F)c1N ZINC000054189807 177108039 /nfs/dbraw/zinc/10/80/39/177108039.db2.gz YNCYOGIYDCFHGY-QMMMGPOBSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@H]1CCCN1c1ccc(N)c(OCC2CC2)n1 ZINC000037910032 177112168 /nfs/dbraw/zinc/11/21/68/177112168.db2.gz QNIYARMZCSVYMN-JTQLQIEISA-N 0 0 247.342 2.441 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)C(=O)C2([NH3+])CCCC2)C1 ZINC000042495046 177120321 /nfs/dbraw/zinc/12/03/21/177120321.db2.gz WAPOXYDTKFLJEZ-NWDGAFQWSA-N 0 0 238.375 2.295 10 0 BEAERN C[C@H]1CCC[C@@H](OCc2nnsc2N)C1 ZINC000050832435 177123371 /nfs/dbraw/zinc/12/33/71/177123371.db2.gz PFZXZKBONJMOJN-JGVFFNPUSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOC2(CCC2)C1 ZINC000336593288 177123536 /nfs/dbraw/zinc/12/35/36/177123536.db2.gz PERNUZAVXPQKEY-RYUDHWBXSA-N 0 0 237.343 2.204 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NC1CCC(CO)CC1 ZINC000345187484 177123595 /nfs/dbraw/zinc/12/35/95/177123595.db2.gz LXVNPTHQEZLQID-WTIISPKJSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N)cc1F ZINC000071205319 177126001 /nfs/dbraw/zinc/12/60/01/177126001.db2.gz UDAWWBSJNQEEMT-UFBFGSQYSA-N 0 0 236.290 2.326 10 0 BEAERN C[C@H]1CCC[C@H](C)N1C(=O)c1cccnc1N ZINC000050696570 177131093 /nfs/dbraw/zinc/13/10/93/177131093.db2.gz WVFWBNOUDNFMTO-UWVGGRQHSA-N 0 0 233.315 2.067 10 0 BEAERN C[C@H]1CCC[C@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491632 177134199 /nfs/dbraw/zinc/13/41/99/177134199.db2.gz ONCPVNNTQCZBQF-UWVGGRQHSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H]1CCC[C@](CO)(NC(=O)NC(C)(C)C)C1 ZINC000053107646 177143433 /nfs/dbraw/zinc/14/34/33/177143433.db2.gz GXJDZMPIQQJVIO-GWCFXTLKSA-N 0 0 242.363 2.025 10 0 BEAERN C[C@H]1CCCc2sc(N)c(C(=O)N(C)C)c21 ZINC000104278818 177145191 /nfs/dbraw/zinc/14/51/91/177145191.db2.gz OWNWMAFEOPSYAO-ZETCQYMHSA-N 0 0 238.356 2.472 10 0 BEAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)CCN3)C1 ZINC000040724716 177153832 /nfs/dbraw/zinc/15/38/32/177153832.db2.gz HNTMDVFKPPHMCI-JTQLQIEISA-N 0 0 230.311 2.137 10 0 BEAERN C[C@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040717083 177158647 /nfs/dbraw/zinc/15/86/47/177158647.db2.gz PFBBWTUNHBOOLK-NSHDSACASA-N 0 0 245.322 2.146 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCCCc2ccccc2)O1 ZINC000122199929 177197383 /nfs/dbraw/zinc/19/73/83/177197383.db2.gz GBCVSBOOVYDMDC-GXTWGEPZSA-N 0 0 247.338 2.303 10 0 BEAERN C[C@H]1CCc2c(sc3nc(CO)cn23)C1 ZINC000009238336 177208984 /nfs/dbraw/zinc/20/89/84/177208984.db2.gz LWWFXFVFYFIDFE-ZETCQYMHSA-N 0 0 222.313 2.013 10 0 BEAERN C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCS1 ZINC000171578460 177217636 /nfs/dbraw/zinc/21/76/36/177217636.db2.gz HSKPOUOBUYTGLY-WDEREUQCSA-N 0 0 225.357 2.307 10 0 BEAERN C[C@H]1CN(C(=O)c2ccsc2)CCS1 ZINC000171578361 177229888 /nfs/dbraw/zinc/22/98/88/177229888.db2.gz YJICMASAPXPGIP-QMMMGPOBSA-N 0 0 227.354 2.326 10 0 BEAERN C[C@H]1CN(CCOC2CCCCC2)CCC1=O ZINC000104433910 177252837 /nfs/dbraw/zinc/25/28/37/177252837.db2.gz XXVFXTDHDPMBLG-LBPRGKRZSA-N 0 0 239.359 2.247 10 0 BEAERN C[C@@H]1CN(Cc2ccc(N)c(F)c2)C[C@H](C)O1 ZINC000063011158 177263879 /nfs/dbraw/zinc/26/38/79/177263879.db2.gz SIJHJSYAHSURFP-AOOOYVTPSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@H]1CN(Cc2cn3ccccc3n2)CCS1 ZINC000171691804 177269459 /nfs/dbraw/zinc/26/94/59/177269459.db2.gz SQAVQTITJBYAOD-NSHDSACASA-N 0 0 247.367 2.272 10 0 BEAERN C[C@H]1CN(c2cc(F)ccc2N)CCCO1 ZINC000061916833 177276459 /nfs/dbraw/zinc/27/64/59/177276459.db2.gz OLSJRRONYWLQNR-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN C[C@H]1CN(c2ccc(F)cc2N)CCCO1 ZINC000061916715 177277378 /nfs/dbraw/zinc/27/73/78/177277378.db2.gz YBUWEIXSYOTZKE-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)/C=C/c1ccccc1 ZINC000076366210 177297000 /nfs/dbraw/zinc/29/70/00/177297000.db2.gz VGDNLLUBPDSOED-UVHIWXSVSA-N 0 0 245.322 2.336 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cccc(F)c1 ZINC000040634501 177298300 /nfs/dbraw/zinc/29/83/00/177298300.db2.gz QZSWVXQUDXUUGZ-AOOOYVTPSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccccc1F ZINC000040634497 177299562 /nfs/dbraw/zinc/29/95/62/177299562.db2.gz OBOYLOHNVICYRK-UWVGGRQHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@H]1CO[C@@H](c2cc(F)ccc2F)C[NH2+]1 ZINC000036673465 177300069 /nfs/dbraw/zinc/30/00/69/177300069.db2.gz LQUOGVNESKSVEG-WRWORJQWSA-N 0 0 213.227 2.014 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000036742601 177340475 /nfs/dbraw/zinc/34/04/75/177340475.db2.gz WRYLSFZPYVBMQU-AUTRQRHGSA-N 0 0 230.311 2.202 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCc1cc(F)ccc1F ZINC000104796109 177347114 /nfs/dbraw/zinc/34/71/14/177347114.db2.gz NRYIDKCUMVGKHN-CPCISQLKSA-N 0 0 240.253 2.172 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(-c2ccccc2)no1 ZINC000075513416 177348389 /nfs/dbraw/zinc/34/83/89/177348389.db2.gz KSBSOXRIGUOUQX-ONGXEEELSA-N 0 0 242.278 2.480 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2ncsc2c1 ZINC000171066572 177348720 /nfs/dbraw/zinc/34/87/20/177348720.db2.gz OEYVPMZMFVSTCG-XVKPBYJWSA-N 0 0 232.308 2.435 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000116748145 177348765 /nfs/dbraw/zinc/34/87/65/177348765.db2.gz OXHNUJDHFDEOAU-GWCFXTLKSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000075526737 177348975 /nfs/dbraw/zinc/34/89/75/177348975.db2.gz YGSIMTUHALAGJX-GWCFXTLKSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000174560280 177349249 /nfs/dbraw/zinc/34/92/49/177349249.db2.gz RJZRADXPDAYRSV-CABZTGNLSA-N 0 0 214.268 2.078 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000075514470 177349366 /nfs/dbraw/zinc/34/93/66/177349366.db2.gz IUNJXJYEQYUWLB-GWCFXTLKSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1coc(Br)c1 ZINC000075516746 177350249 /nfs/dbraw/zinc/35/02/49/177350249.db2.gz WYIREAZSKKNUMQ-FSPLSTOPSA-N 0 0 244.088 2.180 10 0 BEAERN C[C@H]1C[C@H](C(F)(F)F)n2nccc2N1 ZINC000015933405 177354847 /nfs/dbraw/zinc/35/48/47/177354847.db2.gz IHJGEGBNYMMGDQ-NTSWFWBYSA-N 0 0 205.183 2.191 10 0 BEAERN C[C@@H]1CCN(C(=O)c2ccc(N)cc2N)[C@@H](C)C1 ZINC000051728872 177354992 /nfs/dbraw/zinc/35/49/92/177354992.db2.gz WLPNYZWACAKBCX-ZJUUUORDSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@H]1C[C@H](N(C)C(=O)C2CCCC2)CC[N@@H+]1C ZINC000123694342 177363905 /nfs/dbraw/zinc/36/39/05/177363905.db2.gz GJZOCIPZHDGIPC-WCQYABFASA-N 0 0 238.375 2.118 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1cccs1 ZINC000075531161 177382558 /nfs/dbraw/zinc/38/25/58/177382558.db2.gz HHFNVDCXKIXHDZ-WCBMZHEXSA-N 0 0 209.314 2.205 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000075507901 177383190 /nfs/dbraw/zinc/38/31/90/177383190.db2.gz SVNYIXZUOATXSR-GZMMTYOYSA-N 0 0 223.703 2.407 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000171066621 177383604 /nfs/dbraw/zinc/38/36/04/177383604.db2.gz CSKPYJWEDVDHEM-GZMMTYOYSA-N 0 0 239.702 2.243 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1c(Cl)nc2ccccn21 ZINC000171050155 177384371 /nfs/dbraw/zinc/38/43/71/177384371.db2.gz TXKFBXOSIUHBKJ-JGVFFNPUSA-N 0 0 249.701 2.126 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2ccccc2n1 ZINC000075528382 177384836 /nfs/dbraw/zinc/38/48/36/177384836.db2.gz AUFGTEZRYJFXSH-TVQRCGJNSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063011873 177385005 /nfs/dbraw/zinc/38/50/05/177385005.db2.gz HZFXOSONDMVVPG-SSDLBLMSSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1Cc2c(cnn2-c2ccccc2)[C@@H](O)C1 ZINC000072415613 177388395 /nfs/dbraw/zinc/38/83/95/177388395.db2.gz ZUEHBCOOXCCMKK-HZMBPMFUSA-N 0 0 228.295 2.488 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000190219764 177397327 /nfs/dbraw/zinc/39/73/27/177397327.db2.gz RQGIMAVWROMVME-TZMCWYRMSA-N 0 0 247.338 2.460 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000134269472 177401321 /nfs/dbraw/zinc/40/13/21/177401321.db2.gz AQBVQFOYPTWKQS-SKDRFNHKSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@](C(=O)[O-])(C1CC1)[NH+]1CCCCCC1 ZINC000038086385 177440882 /nfs/dbraw/zinc/44/08/82/177440882.db2.gz QVRXOIBEHBBWQG-GFCCVEGCSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1[nH]c(=S)sc1CC(=O)N[C@@H]1C[C@@H]1C ZINC000171054831 177505409 /nfs/dbraw/zinc/50/54/09/177505409.db2.gz ZRSOTIVILPAFSP-CAHLUQPWSA-N 0 0 242.369 2.181 10 0 BEAERN Cc1c(N)nnn1-c1cccc(Cl)c1C ZINC000082363019 177599556 /nfs/dbraw/zinc/59/95/56/177599556.db2.gz QJTVKQLQGBYYGM-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN Cc1c(Cl)cccc1N1CC[C@@H](CO)C1 ZINC000011892877 177600757 /nfs/dbraw/zinc/60/07/57/177600757.db2.gz CLSWUTASARMVCE-SNVBAGLBSA-N 0 0 225.719 2.467 10 0 BEAERN Cc1c(N)cccc1N(C)C[C@H]1CCCO1 ZINC000062724898 177613471 /nfs/dbraw/zinc/61/34/71/177613471.db2.gz ZSDZSKJZUSGDBX-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1c(N)cccc1NC[C@@H]1CCOC1 ZINC000062725480 177614348 /nfs/dbraw/zinc/61/43/48/177614348.db2.gz GZJPQELRLCXMKB-JTQLQIEISA-N 0 0 206.289 2.026 10 0 BEAERN O=C(OCC(F)(F)F)N1C[C@H]2CCC[C@H]21 ZINC000495603801 226283471 /nfs/dbraw/zinc/28/34/71/226283471.db2.gz QWVAMTPCFWICRH-RNFRBKRXSA-N 0 0 223.194 2.170 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000401936335 226363198 /nfs/dbraw/zinc/36/31/98/226363198.db2.gz FJZQCYODVODPOP-UTUOFQBUSA-N 0 0 239.359 2.042 10 0 BEAERN CC(=O)n1ccc2c1nccc2Br ZINC000014985918 262712688 /nfs/dbraw/zinc/71/26/88/262712688.db2.gz KARPOIXRSDZYFY-UHFFFAOYSA-N 0 0 239.072 2.459 10 0 BEAERN CCC1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000674917233 487654596 /nfs/dbraw/zinc/65/45/96/487654596.db2.gz DHUKWYJLQWSQMV-VXGBXAGGSA-N 0 0 239.359 2.377 10 0 BEAERN CN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000054053184 487678978 /nfs/dbraw/zinc/67/89/78/487678978.db2.gz CNTBGQFGILAMPN-MRVPVSSYSA-N 0 0 209.293 2.398 10 0 BEAERN CC[C@H](C)[C@@H](N)c1nc(C2CCOCC2)no1 ZINC000087810279 487689263 /nfs/dbraw/zinc/68/92/63/487689263.db2.gz XBGYISSPWCPHGC-WCBMZHEXSA-N 0 0 239.319 2.010 10 0 BEAERN Cc1c(CNc2cc(C)cc(N)c2)cnn1C ZINC000226266457 487695551 /nfs/dbraw/zinc/69/55/51/487695551.db2.gz VWAKYHNXHIHFBR-UHFFFAOYSA-N 0 0 230.315 2.231 10 0 BEAERN CCOc1cccc(NCc2cc(C)no2)n1 ZINC000110544039 487695911 /nfs/dbraw/zinc/69/59/11/487695911.db2.gz YHWOXEIAPJHCHG-UHFFFAOYSA-N 0 0 233.271 2.389 10 0 BEAERN O=c1c2c([n-]n1-c1ccc(F)cc1)CCC2 ZINC000104707259 487712983 /nfs/dbraw/zinc/71/29/83/487712983.db2.gz IPSHRTUJXDCZNI-JTQLQIEISA-N 0 0 218.231 2.328 10 0 BEAERN O=c1c2c([n-]n1-c1ccc(F)cc1F)CCC2 ZINC000104707194 487713020 /nfs/dbraw/zinc/71/30/20/487713020.db2.gz BVJIVMNSSNTXDP-QMMMGPOBSA-N 0 0 236.221 2.468 10 0 BEAERN Cc1ccccc1-n1[n-]c2c(c1=O)CCC2 ZINC000104707265 487713133 /nfs/dbraw/zinc/71/31/33/487713133.db2.gz YDMCOCXOSVGTHL-SNVBAGLBSA-N 0 0 214.268 2.498 10 0 BEAERN COc1cccc(N[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000668423874 487729961 /nfs/dbraw/zinc/72/99/61/487729961.db2.gz HSIFPVMICXKIEN-GHMZBOCLSA-N 0 0 234.299 2.070 10 0 BEAERN CC(C)[C@H](C)NC(=O)CCc1cccnc1 ZINC000052834841 487730114 /nfs/dbraw/zinc/73/01/14/487730114.db2.gz CDUQPRPVCWUVPY-NSHDSACASA-N 0 0 220.316 2.175 10 0 BEAERN O=C(N[C@@H]1CC=CCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250665316 487738442 /nfs/dbraw/zinc/73/84/42/487738442.db2.gz ROPLTBQPXMNHRS-WRWGMCAJSA-N 0 0 205.301 2.257 10 0 BEAERN Cc1cnccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250880027 487743402 /nfs/dbraw/zinc/74/34/02/487743402.db2.gz UGHKOQVQLNYUCR-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN Cc1csc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000250896668 487743488 /nfs/dbraw/zinc/74/34/88/487743488.db2.gz JPXOTAMQNBIBOV-AYMMMOKOSA-N 0 0 222.313 2.436 10 0 BEAERN Cc1cccc(CN(C)C(=O)[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251009226 487745871 /nfs/dbraw/zinc/74/58/71/487745871.db2.gz VIYDMUBAFLRMPA-CLLJXQQHSA-N 0 0 244.338 2.395 10 0 BEAERN Cc1ccnn1-c1nc(Cl)cc(Cl)n1 ZINC000642813678 487750201 /nfs/dbraw/zinc/75/02/01/487750201.db2.gz PVOPHXZRMNAQQF-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN CC(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251280882 487752746 /nfs/dbraw/zinc/75/27/46/487752746.db2.gz DHGBZCNICKDWKT-WISYIIOYSA-N 0 0 209.333 2.441 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C)cs1 ZINC000384871159 487752451 /nfs/dbraw/zinc/75/24/51/487752451.db2.gz OUSBSUQXEBBOSQ-MWLCHTKSSA-N 0 0 239.340 2.042 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000681241947 487757767 /nfs/dbraw/zinc/75/77/67/487757767.db2.gz WILVELHCOAXCRQ-UTUOFQBUSA-N 0 0 241.375 2.478 10 0 BEAERN C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251619096 487777550 /nfs/dbraw/zinc/77/75/50/487777550.db2.gz CKSLUCGRUDCQFG-YFKTTZPYSA-N 0 0 207.317 2.434 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@H](CO)CC1 ZINC000413304926 487778218 /nfs/dbraw/zinc/77/82/18/487778218.db2.gz YJMDALMCYUMKQU-LBPRGKRZSA-N 0 0 249.358 2.199 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2ncccc2C(=O)[O-])C[C@@H]1C ZINC000385406219 487785291 /nfs/dbraw/zinc/78/52/91/487785291.db2.gz PXGAMZRNNIWTMH-MNOVXSKESA-N 0 0 248.326 2.258 10 0 BEAERN CC(C)OC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000496375181 527819296 /nfs/dbraw/zinc/81/92/96/527819296.db2.gz FZRQSWCNPLMDIR-RKDXNWHRSA-N 0 0 215.293 2.077 10 0 BEAERN COCc1csc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000668088991 487832445 /nfs/dbraw/zinc/83/24/45/487832445.db2.gz KTWXEGIKCVYRBZ-CBAPKCEASA-N 0 0 225.313 2.033 10 0 BEAERN CCc1ccccc1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000676334626 487839022 /nfs/dbraw/zinc/83/90/22/487839022.db2.gz BOTFKCDFZHHMSN-OLZOCXBDSA-N 0 0 247.338 2.282 10 0 BEAERN CSCCOC(=O)C[C@H]1C=CCC1 ZINC000123957264 589872274 /nfs/dbraw/zinc/87/22/74/589872274.db2.gz GNMLDTQTUCEGSQ-VIFPVBQESA-N 0 0 200.303 2.249 10 0 BEAERN C[C@@H](O)CCNc1nccc2ccccc21 ZINC000123781787 322980517 /nfs/dbraw/zinc/98/05/17/322980517.db2.gz RWKGCAGROQVVJC-SNVBAGLBSA-N 0 0 216.284 2.418 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)C1(OC)CCCC1 ZINC000562352143 323017614 /nfs/dbraw/zinc/01/76/14/323017614.db2.gz IGNXMMKVHPZLST-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN COc1cc(OC)cc([C@H]2CCC[C@@H]2O)c1 ZINC000087124268 323089243 /nfs/dbraw/zinc/08/92/43/323089243.db2.gz IJCLFNYNISHGJX-OLZOCXBDSA-N 0 0 222.284 2.332 10 0 BEAERN C[C@H](CO)Sc1ncnc2c1CCCCC2 ZINC000160965613 323140870 /nfs/dbraw/zinc/14/08/70/323140870.db2.gz IJFOZTGJJZFALG-SECBINFHSA-N 0 0 238.356 2.218 10 0 BEAERN CNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000048644979 323154105 /nfs/dbraw/zinc/15/41/05/323154105.db2.gz QIHROVBYPSAKEF-LBPRGKRZSA-N 0 0 230.267 2.298 10 0 BEAERN COCc1ccc(C(=O)Nc2ccc(C)nc2)o1 ZINC000125093827 323162434 /nfs/dbraw/zinc/16/24/34/323162434.db2.gz LKRKTTWJBDTPBE-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C2CC2)C2CCCC2)O1 ZINC000152400626 323180740 /nfs/dbraw/zinc/18/07/40/323180740.db2.gz NILIYDXGQKEBCA-MFKMUULPSA-N 0 0 237.343 2.488 10 0 BEAERN CCC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398692387 323189551 /nfs/dbraw/zinc/18/95/51/323189551.db2.gz CQVFOKJVNXIKTN-SDDRHHMPSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H](C(=O)NC[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000399090098 323196631 /nfs/dbraw/zinc/19/66/31/323196631.db2.gz WPPUHNSGWURRRX-NXEZZACHSA-N 0 0 229.364 2.192 10 0 BEAERN COc1ccc([C@@H](C)NC(=O)N(C)C)cc1F ZINC000053909488 323198656 /nfs/dbraw/zinc/19/86/56/323198656.db2.gz IIPWYUQRGWEVCT-MRVPVSSYSA-N 0 0 240.278 2.167 10 0 BEAERN Cc1cccc(C(=O)N2C[C@H](O)CC[C@@H]2C)c1C ZINC000399262470 323201950 /nfs/dbraw/zinc/20/19/50/323201950.db2.gz UMDYOUXNHWLEBY-WCQYABFASA-N 0 0 247.338 2.289 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399259860 323202241 /nfs/dbraw/zinc/20/22/41/323202241.db2.gz OBGPMCZQRWLORO-WCQYABFASA-N 0 0 248.326 2.372 10 0 BEAERN Cc1ccccc1CCC(=O)N[C@H]1C[C@H]1C ZINC000103435270 323248718 /nfs/dbraw/zinc/24/87/18/323248718.db2.gz SXDURMVMXAHABJ-YPMHNXCESA-N 0 0 217.312 2.452 10 0 BEAERN O=C(NCc1ccc(-c2cc[nH]n2)cc1)C1CC1 ZINC000040436957 323400815 /nfs/dbraw/zinc/40/08/15/323400815.db2.gz LZBZTFYMIGMWPZ-UHFFFAOYSA-N 0 0 241.294 2.103 10 0 BEAERN CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000124831946 323401816 /nfs/dbraw/zinc/40/18/16/323401816.db2.gz YJQWVSQAWCRNKP-TVQRCGJNSA-N 0 0 247.294 2.395 10 0 BEAERN Cc1c(C(=O)NCCC2CCCC2)cnn1C ZINC000044711606 323826449 /nfs/dbraw/zinc/82/64/49/323826449.db2.gz OJFRERLYNNMVQR-UHFFFAOYSA-N 0 0 235.331 2.039 10 0 BEAERN CCn1nc(C)c([C@H](C)NCc2cc[nH]n2)c1C ZINC000045172243 323839053 /nfs/dbraw/zinc/83/90/53/323839053.db2.gz IHEMCTJCVUYVFT-VIFPVBQESA-N 0 0 247.346 2.094 10 0 BEAERN Cc1cccc(CNC(=O)[C@H]2CC2(C)C)n1 ZINC000119257438 323916276 /nfs/dbraw/zinc/91/62/76/323916276.db2.gz MYWROYNNSRBSOS-LLVKDONJSA-N 0 0 218.300 2.052 10 0 BEAERN C[C@@H]1CCCc2nc(C(C)(C)C)cc(=O)n21 ZINC000536950796 323955209 /nfs/dbraw/zinc/95/52/09/323955209.db2.gz KCNABPMGLMKMKI-SECBINFHSA-N 0 0 220.316 2.438 10 0 BEAERN OC[C@@H]1Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000536952015 323957413 /nfs/dbraw/zinc/95/74/13/323957413.db2.gz ANZAULJOYFYKLZ-WPRPVWTQSA-N 0 0 232.201 2.161 10 0 BEAERN CC(C)Oc1ccn(-c2cccnc2)n1 ZINC000536952187 323958073 /nfs/dbraw/zinc/95/80/73/323958073.db2.gz BDGVMRKDAUDVTP-UHFFFAOYSA-N 0 0 203.245 2.055 10 0 BEAERN [NH3+]C[C@H](c1ccc(F)cc1)C1(C(=O)[O-])CCC1 ZINC000536954566 323963421 /nfs/dbraw/zinc/96/34/21/323963421.db2.gz QKEARWHVKSKQKM-LLVKDONJSA-N 0 0 237.274 2.123 10 0 BEAERN O=S1(=Nc2cccnc2F)CCCC1 ZINC000536958077 323969492 /nfs/dbraw/zinc/96/94/92/323969492.db2.gz ULIIYJFOWZIIPJ-UHFFFAOYSA-N 0 0 214.265 2.114 10 0 BEAERN [NH3+]C[C@@H](c1ccccc1O)C1(C(=O)[O-])CCCC1 ZINC000536955164 323965258 /nfs/dbraw/zinc/96/52/58/323965258.db2.gz UVXOJNZIIJXYDE-NSHDSACASA-N 0 0 249.310 2.080 10 0 BEAERN CC(=O)[C@H]1CCCN(c2cccc(C)c2)C1=O ZINC000536961084 323974229 /nfs/dbraw/zinc/97/42/29/323974229.db2.gz WYVBUUOVVIUHCK-CYBMUJFWSA-N 0 0 231.295 2.327 10 0 BEAERN COc1ccc2c(c1)CCN2C(=O)NCC(C)C ZINC000058482556 323989458 /nfs/dbraw/zinc/98/94/58/323989458.db2.gz SFPCQEQDSNKQDC-UHFFFAOYSA-N 0 0 248.326 2.423 10 0 BEAERN COc1ccc2c(c1)CCN2C(=O)c1ccoc1 ZINC000058716592 323992180 /nfs/dbraw/zinc/99/21/80/323992180.db2.gz FJYCMAJQTPGASH-UHFFFAOYSA-N 0 0 243.262 2.491 10 0 BEAERN CC(C)OCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000062227618 324212156 /nfs/dbraw/zinc/21/21/56/324212156.db2.gz CTYUSULQYVKGHP-KGLIPLIRSA-N 0 0 247.338 2.331 10 0 BEAERN CSCCCCNC(=O)C(C)(C)C ZINC000124537180 324618248 /nfs/dbraw/zinc/61/82/48/324618248.db2.gz QBWGULIHWKSFQO-UHFFFAOYSA-N 0 0 203.351 2.292 10 0 BEAERN COC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C ZINC000125686606 324647744 /nfs/dbraw/zinc/64/77/44/324647744.db2.gz SFBNGFPDTABVTH-SDDRHHMPSA-N 0 0 227.348 2.352 10 0 BEAERN COC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C ZINC000125686372 324648066 /nfs/dbraw/zinc/64/80/66/324648066.db2.gz SFBNGFPDTABVTH-TUAOUCFPSA-N 0 0 227.348 2.352 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NCc1ccco1 ZINC000125977286 324670746 /nfs/dbraw/zinc/67/07/46/324670746.db2.gz UBHUKIVGPJDIIH-UHFFFAOYSA-N 0 0 237.299 2.291 10 0 BEAERN CSCCCC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000127310573 324760188 /nfs/dbraw/zinc/76/01/88/324760188.db2.gz AFVDELJOKHUSPF-NXEZZACHSA-N 0 0 245.388 2.202 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1 ZINC000128960195 324900736 /nfs/dbraw/zinc/90/07/36/324900736.db2.gz CJKCTFLAJHQZBR-JSGCOSHPSA-N 0 0 247.338 2.487 10 0 BEAERN CCN(C(=O)CCCSC)C1CC1 ZINC000128965554 324901202 /nfs/dbraw/zinc/90/12/02/324901202.db2.gz FAMWHGYMLTWGDM-UHFFFAOYSA-N 0 0 201.335 2.141 10 0 BEAERN COC(=O)c1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 ZINC000130190156 325022696 /nfs/dbraw/zinc/02/26/96/325022696.db2.gz OQWNIISWSJIOHO-NSHDSACASA-N 0 0 247.294 2.458 10 0 BEAERN Cc1cccc(CNC(=O)[C@@H]2CC=CCC2)n1 ZINC000130297179 325036140 /nfs/dbraw/zinc/03/61/40/325036140.db2.gz ROQWFQNCAPABSX-GFCCVEGCSA-N 0 0 230.311 2.363 10 0 BEAERN CC(C)[C@H](C)CNC(=O)NC(C)(C)C ZINC000130852036 325094606 /nfs/dbraw/zinc/09/46/06/325094606.db2.gz YHIOJTYAEYPIPS-SECBINFHSA-N 0 0 200.326 2.376 10 0 BEAERN C[C@@H]1CC[C@H](C)N1C(=O)NCc1cscn1 ZINC000131611547 325170586 /nfs/dbraw/zinc/17/05/86/325170586.db2.gz VDTGAWKRUBNXFD-DTORHVGOSA-N 0 0 239.344 2.226 10 0 BEAERN C(SC1CCOCC1)c1noc(C2CC2)n1 ZINC000131624724 325171697 /nfs/dbraw/zinc/17/16/97/325171697.db2.gz DXWVLDDKMDWJIO-UHFFFAOYSA-N 0 0 240.328 2.359 10 0 BEAERN CCc1onc(C)c1C(=O)N1CC[C@H](CC)C1 ZINC000131686547 325177944 /nfs/dbraw/zinc/17/79/44/325177944.db2.gz KXALTRAACFHAKW-JTQLQIEISA-N 0 0 236.315 2.418 10 0 BEAERN CCOCCCNC(=O)Cc1cccc(CC)c1 ZINC000131797767 325184819 /nfs/dbraw/zinc/18/48/19/325184819.db2.gz PVUIMDXXQPCUDZ-UHFFFAOYSA-N 0 0 249.354 2.334 10 0 BEAERN C[C@@H](CO)[C@H](C)NC(=O)CC1(C)CCCCC1 ZINC000132260500 325208409 /nfs/dbraw/zinc/20/84/09/325208409.db2.gz DEDRLOXIEJLZQA-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H]1CCCCO1 ZINC000132905765 325252181 /nfs/dbraw/zinc/25/21/81/325252181.db2.gz ZXBAKWQBONHEOZ-JTQLQIEISA-N 0 0 238.287 2.053 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@@H](C)OC ZINC000133355012 325289652 /nfs/dbraw/zinc/28/96/52/325289652.db2.gz DPBRKSIIKUCKFY-MNOVXSKESA-N 0 0 227.348 2.449 10 0 BEAERN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000133891040 325327051 /nfs/dbraw/zinc/32/70/51/325327051.db2.gz WZRISYDLYCRFGK-JQWIXIFHSA-N 0 0 237.343 2.298 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)CCOC ZINC000133924047 325330700 /nfs/dbraw/zinc/33/07/00/325330700.db2.gz BPTNOXAXPJJGLT-LLVKDONJSA-N 0 0 227.348 2.450 10 0 BEAERN CCc1cc(C(=O)N(C)CC)oc1CC ZINC000134909576 325382578 /nfs/dbraw/zinc/38/25/78/325382578.db2.gz XLHRUWZVHFYNMD-UHFFFAOYSA-N 0 0 209.289 2.496 10 0 BEAERN CCOC[C@H](C)NC(=O)NC1CCCCC1 ZINC000136218983 325446275 /nfs/dbraw/zinc/44/62/75/325446275.db2.gz HXLCAOSLGRXJDM-JTQLQIEISA-N 0 0 228.336 2.043 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1cc(F)ccc1O ZINC000080034100 325471749 /nfs/dbraw/zinc/47/17/49/325471749.db2.gz FHHOHQSZNFTMTH-GZMMTYOYSA-N 0 0 237.274 2.450 10 0 BEAERN CC[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000249347243 325645363 /nfs/dbraw/zinc/64/53/63/325645363.db2.gz FIRGIVZVCVEJQC-SRVKXCTJSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCC2(C)CCCC2)O1 ZINC000153562079 326102673 /nfs/dbraw/zinc/10/26/73/326102673.db2.gz VSGBCUZMMWGVGB-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268183917 326169199 /nfs/dbraw/zinc/16/91/99/326169199.db2.gz XGEHTEGCPXEUJA-SCVCMEIPSA-N 0 0 247.342 2.134 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)c1ccncc1 ZINC000155350515 326193139 /nfs/dbraw/zinc/19/31/39/326193139.db2.gz UUCOVJSLLBZATC-PWSUYJOCSA-N 0 0 234.299 2.002 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCCCC(C)(C)C)O1 ZINC000155945622 326215289 /nfs/dbraw/zinc/21/52/89/326215289.db2.gz JJXJWPLOOMEXHQ-GHMZBOCLSA-N 0 0 227.348 2.496 10 0 BEAERN CCC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000163626409 326404133 /nfs/dbraw/zinc/40/41/33/326404133.db2.gz IMEXWBMUCVLRSH-UWVGGRQHSA-N 0 0 228.336 2.042 10 0 BEAERN CCCC[C@@H](CC)C(=O)NCC1CC(O)C1 ZINC000084446531 488052462 /nfs/dbraw/zinc/05/24/62/488052462.db2.gz NLHWJUWTTNYXJH-MOENNCHZSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H](CC(=O)NCC1CC(O)C1)CC(C)(C)C ZINC000091538772 488055763 /nfs/dbraw/zinc/05/57/63/488055763.db2.gz DIEBOYGNXMIIDY-UNXYVOJBSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1c(-c2ccc(C)c(N)c2)cnn1C ZINC000085112202 488130554 /nfs/dbraw/zinc/13/05/54/488130554.db2.gz ZKFIYOGMQGYSDB-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCC[C@H](O)C1)C(C)(C)C ZINC000673904599 487474423 /nfs/dbraw/zinc/47/44/23/487474423.db2.gz BYLMIEJUZDAHMW-MXWKQRLJSA-N 0 0 227.348 2.088 10 0 BEAERN O=C(CC1=CCCCC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000673904769 487474696 /nfs/dbraw/zinc/47/46/96/487474696.db2.gz LMKHISOSRGOTRU-CHWSQXEVSA-N 0 0 237.343 2.297 10 0 BEAERN O=C(N[C@H]1CCC[C@H](O)C1)C1CCCCCC1 ZINC000673907697 487475342 /nfs/dbraw/zinc/47/53/42/487475342.db2.gz MMSMJSOAHUXPGA-STQMWFEESA-N 0 0 239.359 2.377 10 0 BEAERN CCC(C)(C)CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000673906587 487475544 /nfs/dbraw/zinc/47/55/44/487475544.db2.gz RMWBPPWHKVMYRP-QWRGUYRKSA-N 0 0 227.348 2.232 10 0 BEAERN CC[C@H](CCO)Nc1nc(C)cc(C(C)C)n1 ZINC000134441303 487505325 /nfs/dbraw/zinc/50/53/25/487505325.db2.gz HSOHBGBBFQPGCT-LLVKDONJSA-N 0 0 237.347 2.481 10 0 BEAERN CC(C)(NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000300573816 487522425 /nfs/dbraw/zinc/52/24/25/487522425.db2.gz VCMKYNLQRNOHNB-ILWJIGKKSA-N 0 0 207.317 2.337 10 0 BEAERN O=C(NCCc1cccs1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250079767 487527089 /nfs/dbraw/zinc/52/70/89/487527089.db2.gz HRBWWQWKVSKBKR-JGPRNRPPSA-N 0 0 235.352 2.453 10 0 BEAERN Cc1ccc(Cl)cc1NC(=O)Cn1ccnc1 ZINC000010809223 487731371 /nfs/dbraw/zinc/73/13/71/487731371.db2.gz KVNCSLPQGDMFLE-UHFFFAOYSA-N 0 0 249.701 2.484 10 0 BEAERN Cc1cc(C)cc(C(=O)N2CCCO2)c1 ZINC000125409932 488142940 /nfs/dbraw/zinc/14/29/40/488142940.db2.gz DDLCOOUTDGHICI-UHFFFAOYSA-N 0 0 205.257 2.081 10 0 BEAERN CCOc1cccc(N[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000667906904 488152589 /nfs/dbraw/zinc/15/25/89/488152589.db2.gz ATTITONXUBETCW-VXGBXAGGSA-N 0 0 248.326 2.460 10 0 BEAERN CNC(=O)Cc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000321964407 488162974 /nfs/dbraw/zinc/16/29/74/488162974.db2.gz ZCSXICSNLFLEOI-GYSYKLTISA-N 0 0 246.354 2.432 10 0 BEAERN CNC(=O)Cc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000321964410 488163437 /nfs/dbraw/zinc/16/34/37/488163437.db2.gz ZCSXICSNLFLEOI-WDMOLILDSA-N 0 0 246.354 2.432 10 0 BEAERN CCOc1cc(N[C@H]2C[C@@H]2C)nc(C)n1 ZINC000085485531 488177691 /nfs/dbraw/zinc/17/76/91/488177691.db2.gz NYKWNJUTEIKLQG-CBAPKCEASA-N 0 0 207.277 2.004 10 0 BEAERN Cc1nc([C@@H](C)O)sc1Br ZINC000169060452 488198426 /nfs/dbraw/zinc/19/84/26/488198426.db2.gz YLVVEAGUPPAAHQ-SCSAIBSYSA-N 0 0 222.107 2.267 10 0 BEAERN CCc1cc2c(OCC(=O)OC)cccn2c1 ZINC000034521749 488198489 /nfs/dbraw/zinc/19/84/89/488198489.db2.gz SWYDBEBTGNTXPX-UHFFFAOYSA-N 0 0 233.267 2.054 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000078427860 488208267 /nfs/dbraw/zinc/20/82/67/488208267.db2.gz RZJNVSQHWRZKQN-DCAQKATOSA-N 0 0 228.336 2.042 10 0 BEAERN CCCCC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000019392545 488228825 /nfs/dbraw/zinc/22/88/25/488228825.db2.gz ZUZVLLXFHHPETH-LBPRGKRZSA-N 0 0 232.327 2.330 10 0 BEAERN C[C@@H](CO)CN1C[C@H](C)c2ccccc21 ZINC000120628148 490065886 /nfs/dbraw/zinc/06/58/86/490065886.db2.gz KLBGFRUIKAHHKW-MNOVXSKESA-N 0 0 205.301 2.239 10 0 BEAERN Cc1noc(Nc2ccnc(Cl)n2)c1C ZINC000143899909 490096937 /nfs/dbraw/zinc/09/69/37/490096937.db2.gz VEMQYQNKSATSBX-UHFFFAOYSA-N 0 0 224.651 2.478 10 0 BEAERN CCc1ccccc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000130390837 490385018 /nfs/dbraw/zinc/38/50/18/490385018.db2.gz DFLOUTRQZMRCAL-RYUDHWBXSA-N 0 0 247.338 2.498 10 0 BEAERN c1c[nH]c([C@H]2CCCN2Cc2cncnc2)c1 ZINC000127460889 490547649 /nfs/dbraw/zinc/54/76/49/490547649.db2.gz UHUROUFYHJJFCM-CYBMUJFWSA-N 0 0 228.299 2.142 10 0 BEAERN COc1ccc(C[C@H](C)C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000128276851 490576027 /nfs/dbraw/zinc/57/60/27/490576027.db2.gz WCYCEUSMBTXSEI-COPLHBTASA-N 0 0 247.338 2.398 10 0 BEAERN Cc1nc([C@H](C)NC2CSC2)cs1 ZINC000306472917 490638975 /nfs/dbraw/zinc/63/89/75/490638975.db2.gz UHIBMGPXFZTKGK-LURJTMIESA-N 0 0 214.359 2.218 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1nccc2ccccc21 ZINC000072094704 491122272 /nfs/dbraw/zinc/12/22/72/491122272.db2.gz RPBZWBGKWKUVRT-SKDRFNHKSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@@H]1CSC[C@]1(O)c1cccc(F)c1 ZINC000307523588 491123182 /nfs/dbraw/zinc/12/31/82/491123182.db2.gz DSLWTKRKUTVPQD-LDYMZIIASA-N 0 0 212.289 2.396 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000133384544 491152385 /nfs/dbraw/zinc/15/23/85/491152385.db2.gz MEQNKZLGBBQELW-NEPJUHHUSA-N 0 0 239.359 2.450 10 0 BEAERN Cc1cc(N[C@]2(C)CCCOC2)nc(C)n1 ZINC000309627696 491153145 /nfs/dbraw/zinc/15/31/45/491153145.db2.gz GEURPAPDGWGWLL-GFCCVEGCSA-N 0 0 221.304 2.074 10 0 BEAERN Cc1ccn(CC(=O)N[C@@H](C)c2cccs2)n1 ZINC000133898913 491160969 /nfs/dbraw/zinc/16/09/69/491160969.db2.gz HGGQTJKQGZJEPN-JTQLQIEISA-N 0 0 249.339 2.130 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)c1ncc(C2OCCO2)s1 ZINC000757124845 582499156 /nfs/dbraw/zinc/49/91/56/582499156.db2.gz PQCUKSJWVYJJKE-RNFRBKRXSA-N 0 0 239.296 2.027 10 0 BEAERN CCc1nc([C@@H](O)C2(C)CC2)sc1N ZINC000757124859 582500226 /nfs/dbraw/zinc/50/02/26/582500226.db2.gz DJLYQVODQCPISU-SSDOTTSWSA-N 0 0 212.318 2.121 10 0 BEAERN CCc1nc([C@H](O)C(C)(C)C)sc1N ZINC000757129602 582503885 /nfs/dbraw/zinc/50/38/85/582503885.db2.gz NOXIFQGPBHTQHB-ZETCQYMHSA-N 0 0 214.334 2.367 10 0 BEAERN CC[C@@H](C)C1N=NC(=S)N1CCF ZINC000757131134 582505901 /nfs/dbraw/zinc/50/59/01/582505901.db2.gz NVWJXCTWSDJYKS-ZCFIWIBFSA-N 0 0 203.286 2.050 10 0 BEAERN Cn1ccc2cc(NCCCCO)ccc21 ZINC000757134903 582513355 /nfs/dbraw/zinc/51/33/55/582513355.db2.gz XHOWGSWHRGXODC-UHFFFAOYSA-N 0 0 218.300 2.363 10 0 BEAERN FC(F)Sc1nnnn1C1CCCC1 ZINC000757136106 582515420 /nfs/dbraw/zinc/51/54/20/582515420.db2.gz LNOCKVZUXPBOLW-UHFFFAOYSA-N 0 0 220.248 2.103 10 0 BEAERN COC[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757144448 582525783 /nfs/dbraw/zinc/52/57/83/582525783.db2.gz KIZHDXIMIIXWGU-JTQLQIEISA-N 0 0 214.692 2.198 10 0 BEAERN Cc1cc(Cn2cncn2)ccc1Cl ZINC000757148015 582531762 /nfs/dbraw/zinc/53/17/62/582531762.db2.gz VOXPCPNLIKCBBS-UHFFFAOYSA-N 0 0 207.664 2.288 10 0 BEAERN CC[C@H]1CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757153856 582538000 /nfs/dbraw/zinc/53/80/00/582538000.db2.gz ZPZSBZKSFDYYRE-JSGCOSHPSA-N 0 0 239.359 2.452 10 0 BEAERN COC(=O)/C=C1/CCC[C@]12CCCCO2 ZINC000757192193 582556588 /nfs/dbraw/zinc/55/65/88/582556588.db2.gz OKRYONQOUWUFMB-ZWLSGLHFSA-N 0 0 210.273 2.209 10 0 BEAERN Cc1nn2c(c1C)NCC[C@@H]2C(F)(F)F ZINC000235946899 582628790 /nfs/dbraw/zinc/62/87/90/582628790.db2.gz URORXJNXPHWBIB-SSDOTTSWSA-N 0 0 219.210 2.419 10 0 BEAERN CC(C)[C@H]1CC[C@H](C)C[C@@]12OC[C@H](CO)O2 ZINC000006037661 517479942 /nfs/dbraw/zinc/47/99/42/517479942.db2.gz ZBJCYZPANVLBRK-RVMXOQNASA-N 0 0 228.332 2.183 10 0 in-man BEAERN CCN(C(=O)[C@H](C)COC)[C@@H](C)C(C)C ZINC000103387435 517628938 /nfs/dbraw/zinc/62/89/38/517628938.db2.gz IVTLXURUPNLLFO-MNOVXSKESA-N 0 0 215.337 2.162 10 0 BEAERN COC(=O)[C@]12CCO[C@@H]1CC[C@H](C(C)C)C2 ZINC000536959620 518019445 /nfs/dbraw/zinc/01/94/45/518019445.db2.gz LIDVSOFTYDUBTQ-LOWVWBTDSA-N 0 0 226.316 2.391 10 0 BEAERN Cc1cnn(Cc2csc(C=O)c2)c1 ZINC000002554521 518191945 /nfs/dbraw/zinc/19/19/45/518191945.db2.gz KIBXEISNUACKKX-UHFFFAOYSA-N 0 0 206.270 2.114 10 0 BEAERN Cc1cc(C)c(-c2ccc(=O)[nH]n2)c(C)c1 ZINC000036168281 518186722 /nfs/dbraw/zinc/18/67/22/518186722.db2.gz ZSXYXWCERPQHEB-UHFFFAOYSA-N 0 0 214.268 2.362 10 0 BEAERN Cc1ccc(C)c(C(=O)N2CCCO2)c1 ZINC000125444256 518188551 /nfs/dbraw/zinc/18/85/51/518188551.db2.gz CQZSFOKGOUYBMV-UHFFFAOYSA-N 0 0 205.257 2.081 10 0 BEAERN CCCSc1n[nH]c(C(F)(F)F)n1 ZINC000095742431 520568423 /nfs/dbraw/zinc/56/84/23/520568423.db2.gz PRELGAZLRQSSOS-UHFFFAOYSA-N 0 0 211.212 2.326 10 0 BEAERN CCOC(=O)c1cccc(-c2cnc(N)o2)c1 ZINC000299890447 521533806 /nfs/dbraw/zinc/53/38/06/521533806.db2.gz ZVUSYDYCXKZMQP-UHFFFAOYSA-N 0 0 232.239 2.101 10 0 BEAERN CCOC(=O)c1ncccc1-c1ccccn1 ZINC000299889455 521600331 /nfs/dbraw/zinc/60/03/31/521600331.db2.gz JPSPFDGUFTUTMS-UHFFFAOYSA-N 0 0 228.251 2.320 10 0 BEAERN CCSCC(=O)Nc1ccc(O)cc1 ZINC000057340250 521696322 /nfs/dbraw/zinc/69/63/22/521696322.db2.gz XEYSDPOURUDZQQ-UHFFFAOYSA-N 0 0 211.286 2.084 10 0 BEAERN COC(=O)[C@@H]1C=Cc2cc(Cl)ccc2O1 ZINC000057349052 523669589 /nfs/dbraw/zinc/66/95/89/523669589.db2.gz MIJOUBSUVXCYJI-JTQLQIEISA-N 0 0 224.643 2.287 10 0 BEAERN COC(=O)[C@H](c1ccccc1Cl)N(C)C ZINC000095532604 523939626 /nfs/dbraw/zinc/93/96/26/523939626.db2.gz JWMWFMUDFXWFTO-JTQLQIEISA-N 0 0 227.691 2.116 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)C[C@H]1C(C)C ZINC000260345541 582880122 /nfs/dbraw/zinc/88/01/22/582880122.db2.gz DAXZZEMIIITEQS-QWRGUYRKSA-N 0 0 212.289 2.191 10 0 BEAERN COC(=O)c1cc(Cl)nc2c1CSCC2 ZINC000260329575 582880398 /nfs/dbraw/zinc/88/03/98/582880398.db2.gz FLHPMCXXIANHNE-UHFFFAOYSA-N 0 0 243.715 2.311 10 0 BEAERN Cc1c(C(=O)[O-])oc2c1[C@H]([NH3+])CC(C)(C)C2 ZINC000057347095 525667823 /nfs/dbraw/zinc/66/78/23/525667823.db2.gz FYWGCTWJISHLAK-SSDOTTSWSA-N 0 0 223.272 2.258 10 0 BEAERN CC1(C)C[C@H]1C(=O)N1CC(=O)Nc2ccccc21 ZINC000132378472 534900191 /nfs/dbraw/zinc/90/01/91/534900191.db2.gz IDQHNKAHPVSVSB-VIFPVBQESA-N 0 0 244.294 2.018 10 0 BEAERN Cc1ccc2c(c1C)NC(=O)[C@]21O[C@H](C)[C@H](C)O1 ZINC000242495408 526221979 /nfs/dbraw/zinc/22/19/79/526221979.db2.gz GDYJVVRAKGTJPE-MSRIBSCDSA-N 0 0 247.294 2.232 10 0 BEAERN O=c1[nH][nH]c2nc(-c3cccs3)ccc12 ZINC000334162430 526377465 /nfs/dbraw/zinc/37/74/65/526377465.db2.gz NVHZJJIMKRDZII-UHFFFAOYSA-N 0 0 217.253 2.392 10 0 BEAERN Cc1noc(NCCc2ccc(F)cc2)n1 ZINC000057353891 526641388 /nfs/dbraw/zinc/64/13/88/526641388.db2.gz OEGLBKCUGDBYSP-UHFFFAOYSA-N 0 0 221.235 2.172 10 0 BEAERN Cc1nc2c(ncnc2Cl)n1CC(C)C ZINC000038327425 527101950 /nfs/dbraw/zinc/10/19/50/527101950.db2.gz OAEGDFQOZQCUSN-UHFFFAOYSA-N 0 0 224.695 2.444 10 0 BEAERN Cn1cc(Br)c(=O)c2ccccc21 ZINC000057347364 527146745 /nfs/dbraw/zinc/14/67/45/527146745.db2.gz NNVZXFZAUIDBGT-UHFFFAOYSA-N 0 0 238.084 2.301 10 0 BEAERN Nc1ccc(OCC(F)(F)C(F)(F)F)nc1 ZINC000228992407 527496338 /nfs/dbraw/zinc/49/63/38/527496338.db2.gz XQOQMRASCLYKQK-UHFFFAOYSA-N 0 0 242.147 2.240 10 0 BEAERN OCC1(c2cc(-c3cccnc3)on2)CCC1 ZINC000072220661 527528359 /nfs/dbraw/zinc/52/83/59/527528359.db2.gz QHEUDKOWNHEYEM-UHFFFAOYSA-N 0 0 230.267 2.151 10 0 BEAERN FC(F)(F)Cc1nsc(Cl)n1 ZINC000083645911 527673638 /nfs/dbraw/zinc/67/36/38/527673638.db2.gz CBBYGYHKZLAYAN-UHFFFAOYSA-N 0 0 202.588 2.296 10 0 BEAERN CC(C)OC(=O)N[C@H]1CS[C@@H](C)C1 ZINC000307160482 527829635 /nfs/dbraw/zinc/82/96/35/527829635.db2.gz DUXSIPMNCHJBID-JGVFFNPUSA-N 0 0 203.307 2.015 10 0 BEAERN COC1(C(=O)N2C[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000335339309 536525600 /nfs/dbraw/zinc/52/56/00/536525600.db2.gz RYJIOQRRCJMLNM-RYUDHWBXSA-N 0 0 237.343 2.347 10 0 BEAERN CC(C)c1nccnc1N1CCC([C@H](C)O)CC1 ZINC000472355026 528376346 /nfs/dbraw/zinc/37/63/46/528376346.db2.gz WDMGBAIODNDTAF-NSHDSACASA-N 0 0 249.358 2.197 10 0 BEAERN CCCC[C@H](C)C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401886320 528882497 /nfs/dbraw/zinc/88/24/97/528882497.db2.gz FJKDTLBUXWJJNY-SRVKXCTJSA-N 0 0 227.348 2.042 10 0 BEAERN CC[C@@H](C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175754054 529298706 /nfs/dbraw/zinc/29/87/06/529298706.db2.gz ATPVPDWDDPDSPC-NXEZZACHSA-N 0 0 243.347 2.221 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N[C@H]1CCCC[C@H]1O ZINC000307999017 529309768 /nfs/dbraw/zinc/30/97/68/529309768.db2.gz NQGDTCXGVZYDJC-FRRDWIJNSA-N 0 0 241.375 2.478 10 0 BEAERN CCC(CC)CS(=O)(=O)N[C@H](C)C(C)C ZINC000113273036 535033073 /nfs/dbraw/zinc/03/30/73/535033073.db2.gz VINCAAUFMXQHEH-SNVBAGLBSA-N 0 0 235.393 2.387 10 0 BEAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC(C)CC1 ZINC000334223634 535202463 /nfs/dbraw/zinc/20/24/63/535202463.db2.gz XKUXQQYGTZZMAY-CHWSQXEVSA-N 0 0 239.359 2.306 10 0 BEAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC12CCC2 ZINC000335666794 535203461 /nfs/dbraw/zinc/20/34/61/535203461.db2.gz GYJWORJQNKEGFE-VXGBXAGGSA-N 0 0 237.343 2.203 10 0 BEAERN CC(C)[C@@H]1N(C(=O)C2CC=CC2)C[C@@]12CCCO2 ZINC000335445840 535287610 /nfs/dbraw/zinc/28/76/10/535287610.db2.gz XZCGGWKZZRIHJP-ZFWWWQNUSA-N 0 0 249.354 2.369 10 0 BEAERN CCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000251312310 535337284 /nfs/dbraw/zinc/33/72/84/535337284.db2.gz KLWWIXHWXLRGHH-JHJVBQTASA-N 0 0 239.359 2.329 10 0 BEAERN CCOCC1CCN(c2cncc(C)n2)CC1 ZINC000302234837 535443759 /nfs/dbraw/zinc/44/37/59/535443759.db2.gz UNGCIYFMLKNAQQ-UHFFFAOYSA-N 0 0 235.331 2.038 10 0 BEAERN CCCc1noc(CC2(O)CCCCC2)n1 ZINC000350465027 535555534 /nfs/dbraw/zinc/55/55/34/535555534.db2.gz HVBHCCPHLQTXDX-UHFFFAOYSA-N 0 0 224.304 2.260 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000034561076 535569704 /nfs/dbraw/zinc/56/97/04/535569704.db2.gz QTSSAQZLIITOFS-CMPLNLGQSA-N 0 0 208.232 2.434 10 0 BEAERN CC[C@@H](NC(=O)[C@@H]1CC1(C)C)c1ncc[nH]1 ZINC000218082799 535798120 /nfs/dbraw/zinc/79/81/20/535798120.db2.gz RRBMQCHRYHMDRU-DTWKUNHWSA-N 0 0 221.304 2.023 10 0 BEAERN CC[C@@H]1COCCN1c1cc(F)ccc1N ZINC000052120732 535836277 /nfs/dbraw/zinc/83/62/77/535836277.db2.gz BDQXZSXNLXLDTF-SNVBAGLBSA-N 0 0 224.279 2.023 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1ccc(N)cc1F ZINC000036131927 535843935 /nfs/dbraw/zinc/84/39/35/535843935.db2.gz VKAUQLUOXBEEPP-GXSJLCMTSA-N 0 0 238.306 2.412 10 0 BEAERN COC1(C(=O)N[C@H](C)C(C)C)CCCCC1 ZINC000185207470 536539209 /nfs/dbraw/zinc/53/92/09/536539209.db2.gz UBLDOCCLXPNGII-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN COC1(C)CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000335992362 536560316 /nfs/dbraw/zinc/56/03/16/536560316.db2.gz TZBOQKJBDQGJJV-NEPJUHHUSA-N 0 0 239.359 2.450 10 0 BEAERN COC1CCN(c2c(F)cc(N)cc2F)CC1 ZINC000038040080 536756966 /nfs/dbraw/zinc/75/69/66/536756966.db2.gz XBYORUHTRXHDLL-UHFFFAOYSA-N 0 0 242.269 2.162 10 0 BEAERN COC1CCN(c2ccc([C@@H](C)O)cc2)CC1 ZINC000035631749 536758073 /nfs/dbraw/zinc/75/80/73/536758073.db2.gz LLQHMBVSWBDGFN-LLVKDONJSA-N 0 0 235.327 2.355 10 0 BEAERN COc1ccccc1N1CCCCC1=O ZINC000041213630 537061797 /nfs/dbraw/zinc/06/17/97/537061797.db2.gz KFKPLXAZHOOZLF-UHFFFAOYSA-N 0 0 205.257 2.212 10 0 BEAERN Cc1cnn2c1nc(-c1ccnn1C)cc2Cl ZINC000725256876 538059739 /nfs/dbraw/zinc/05/97/39/538059739.db2.gz APYJCMYIQQOHIV-UHFFFAOYSA-N 0 0 247.689 2.092 10 0 BEAERN CC[C@@H](C(=O)[C@H](C)OC)C(=O)C(C)(C)C ZINC000725257096 538061374 /nfs/dbraw/zinc/06/13/74/538061374.db2.gz ICBXKGZWVRSNSR-IUCAKERBSA-N 0 0 214.305 2.232 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CCCC21CCC1 ZINC000307324754 566278231 /nfs/dbraw/zinc/27/82/31/566278231.db2.gz KFTZGIRMTBIUBV-WDEREUQCSA-N 0 0 230.691 2.218 10 0 BEAERN CC(C)[C@H]1CCNc2nc(C(F)F)nn21 ZINC000312888942 566278550 /nfs/dbraw/zinc/27/85/50/566278550.db2.gz HKEJELGOIKYIOI-ZCFIWIBFSA-N 0 0 216.235 2.228 10 0 BEAERN CC[C@H]1C[C@@H]1Cn1cc(Br)c(N)n1 ZINC000723052007 566280656 /nfs/dbraw/zinc/28/06/56/566280656.db2.gz MBXRUTNNSOFQRU-NKWVEPMBSA-N 0 0 244.136 2.274 10 0 BEAERN CC[C@@H](C(=O)C1CC1)C(=O)C(F)(F)F ZINC000308530489 566298458 /nfs/dbraw/zinc/29/84/58/566298458.db2.gz JZUVDXPHSCFLPJ-LURJTMIESA-N 0 0 208.179 2.123 10 0 BEAERN CC(C)C1CCC([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000310442839 566344226 /nfs/dbraw/zinc/34/42/26/566344226.db2.gz XGFNLJPRJUNPBX-TUUUFIMRSA-N 0 0 239.359 2.369 10 0 BEAERN O=C1C[C@H]2C[C@@H]1[C@H](c1nc(CCC3CC3)no1)C2 ZINC000333700410 566383127 /nfs/dbraw/zinc/38/31/27/566383127.db2.gz QSIQJYZBHWJCPN-HBNTYKKESA-N 0 0 246.310 2.495 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCCC[C@H]1C(C)C ZINC000669376056 566422251 /nfs/dbraw/zinc/42/22/51/566422251.db2.gz CWXOTTHNFPOJIH-WDEREUQCSA-N 0 0 233.377 2.141 10 0 BEAERN C1C[C@@H]2CNc3c4c(nn3[C@H]2C1)NCCC4 ZINC000232483175 566490662 /nfs/dbraw/zinc/49/06/62/566490662.db2.gz UIIZEGGGSLOAMY-SCZZXKLOSA-N 0 0 218.304 2.008 10 0 BEAERN CC[C@@H]1CN(C(=O)N2CCCCC2)C[C@H](C)O1 ZINC000111421827 588749153 /nfs/dbraw/zinc/74/91/53/588749153.db2.gz FJVKJKZBKRRWDP-NWDGAFQWSA-N 0 0 240.347 2.092 10 0 BEAERN CCONC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111437505 588749414 /nfs/dbraw/zinc/74/94/14/588749414.db2.gz PVRXHSSGMCUGAW-VXGBXAGGSA-N 0 0 234.299 2.041 10 0 BEAERN CC(C)(C)/C=C/C(=O)OCCn1cccn1 ZINC000111677614 588766457 /nfs/dbraw/zinc/76/64/57/588766457.db2.gz OPLZAEWEIZKJBN-AATRIKPKSA-N 0 0 222.288 2.029 10 0 BEAERN CC(C)CCC(=O)NCC(=O)OCC(C)(C)C ZINC000111951909 588776388 /nfs/dbraw/zinc/77/63/88/588776388.db2.gz KNYVDKXGWTUGIQ-UHFFFAOYSA-N 0 0 243.347 2.128 10 0 BEAERN CCCOCCOC(=O)CC[C@@H]1CCCCO1 ZINC000111961330 588777397 /nfs/dbraw/zinc/77/73/97/588777397.db2.gz XJZPPIIZQTUNDL-LBPRGKRZSA-N 0 0 244.331 2.306 10 0 BEAERN Cc1ccoc1C(=O)OCC(F)(F)F ZINC000112470542 588799187 /nfs/dbraw/zinc/79/91/87/588799187.db2.gz QKDRLEVVDWXPBL-UHFFFAOYSA-N 0 0 208.135 2.307 10 0 BEAERN CC(=O)O[C@@H]1CCCc2nc(C)sc21 ZINC000112767296 588816425 /nfs/dbraw/zinc/81/64/25/588816425.db2.gz CQRAFOHVEHCTMC-SECBINFHSA-N 0 0 211.286 2.392 10 0 BEAERN Cc1nn(C)cc1C(=O)OC[C@@H]1CC=CCC1 ZINC000113010216 588822357 /nfs/dbraw/zinc/82/23/57/588822357.db2.gz COQAMAVGXFRZFX-LLVKDONJSA-N 0 0 234.299 2.242 10 0 BEAERN Cc1nn(C)cc1C(=O)OC[C@H]1CC=CC[C@@H]1C ZINC000113011604 588822418 /nfs/dbraw/zinc/82/24/18/588822418.db2.gz IIHJVFGFBNFJPB-CMPLNLGQSA-N 0 0 248.326 2.488 10 0 BEAERN Cc1nn(C)cc1C(=O)OC[C@H]1CC=CCC1 ZINC000113010215 588822515 /nfs/dbraw/zinc/82/25/15/588822515.db2.gz COQAMAVGXFRZFX-NSHDSACASA-N 0 0 234.299 2.242 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)C1CCCC1 ZINC000234590674 582460436 /nfs/dbraw/zinc/46/04/36/582460436.db2.gz MNUBBIQANFVOLH-UWVGGRQHSA-N 0 0 218.680 2.074 10 0 BEAERN C[C@H](CCc1ccccc1)C[C@@H](C[NH3+])C(=O)[O-] ZINC000145923349 582496284 /nfs/dbraw/zinc/49/62/84/582496284.db2.gz OAMLTMAKONMRPS-YPMHNXCESA-N 0 0 235.327 2.305 10 0 BEAERN C[C@@H](CCc1ccccc1)C[C@H](C[NH3+])C(=O)[O-] ZINC000145923562 582496483 /nfs/dbraw/zinc/49/64/83/582496483.db2.gz OAMLTMAKONMRPS-WCQYABFASA-N 0 0 235.327 2.305 10 0 BEAERN COC[C@H](C)CNc1ccc2c(c1)CCN2C ZINC000757125193 582499998 /nfs/dbraw/zinc/49/99/98/582499998.db2.gz DFEDJGOQTPYHPH-LLVKDONJSA-N 0 0 234.343 2.373 10 0 BEAERN CC(=O)c1cnc([C@H](O)CC(C)C)s1 ZINC000757125110 582500083 /nfs/dbraw/zinc/50/00/83/582500083.db2.gz DZYMIASUJCWYDN-MRVPVSSYSA-N 0 0 213.302 2.425 10 0 BEAERN CCCC[C@H](O)c1nc(C)c(C=O)s1 ZINC000757126238 582500530 /nfs/dbraw/zinc/50/05/30/582500530.db2.gz GOQIPHDHMQAZNO-QMMMGPOBSA-N 0 0 213.302 2.488 10 0 BEAERN COC(=O)c1sc([C@@H](O)C2(C)CC2)nc1C ZINC000757126222 582500845 /nfs/dbraw/zinc/50/08/45/582500845.db2.gz GLZCQDZWOVOPML-MRVPVSSYSA-N 0 0 241.312 2.072 10 0 BEAERN C[C@H](F)CNc1ccc2c(c1)CCN2C ZINC000757125546 582500921 /nfs/dbraw/zinc/50/09/21/582500921.db2.gz DZBJURPJYDFGHJ-VIFPVBQESA-N 0 0 208.280 2.449 10 0 BEAERN CC[C@@H](C)C(=O)c1nc(C)c(CO)s1 ZINC000757127204 582502443 /nfs/dbraw/zinc/50/24/43/582502443.db2.gz YDHKHHLWFXUERR-ZCFIWIBFSA-N 0 0 213.302 2.173 10 0 BEAERN Cc1nc([C@H](O)CC(C)C)sc1C=O ZINC000757129354 582503947 /nfs/dbraw/zinc/50/39/47/582503947.db2.gz MZUJZCRPQBAUSS-MRVPVSSYSA-N 0 0 213.302 2.344 10 0 BEAERN CN1CCc2cc(NCCCCCO)ccc21 ZINC000757130984 582504574 /nfs/dbraw/zinc/50/45/74/582504574.db2.gz OSYDRWLCOOSYSD-UHFFFAOYSA-N 0 0 234.343 2.253 10 0 BEAERN CCOC1=N[C@H]([C@H](C)CC)C(OCC)=NC1 ZINC000757129288 582504613 /nfs/dbraw/zinc/50/46/13/582504613.db2.gz VBCPAUUUYNRNHN-MWLCHTKSSA-N 0 0 226.320 2.285 10 0 BEAERN FC(F)Sc1nnc2n1CCCCC2 ZINC000757136646 582515642 /nfs/dbraw/zinc/51/56/42/582515642.db2.gz NFVMUFFTSDJFJR-UHFFFAOYSA-N 0 0 219.260 2.319 10 0 BEAERN Cc1cc(C[C@H]2COC[C@H]2O)ccc1Cl ZINC000757150617 582535014 /nfs/dbraw/zinc/53/50/14/582535014.db2.gz FSAJFVDUINQHLQ-CMPLNLGQSA-N 0 0 226.703 2.198 10 0 BEAERN Cc1cc(C[C@H]2COC[C@@H]2O)ccc1Cl ZINC000757150627 582535109 /nfs/dbraw/zinc/53/51/09/582535109.db2.gz FSAJFVDUINQHLQ-JQWIXIFHSA-N 0 0 226.703 2.198 10 0 BEAERN Cc1nn(-c2cncc(F)c2C=O)cc1Cl ZINC000757164081 582546078 /nfs/dbraw/zinc/54/60/78/582546078.db2.gz BZOJWNAQSBBUEG-UHFFFAOYSA-N 0 0 239.637 2.181 10 0 BEAERN Cc1ccoc1CSCc1nnsc1N ZINC000757166313 582547728 /nfs/dbraw/zinc/54/77/28/582547728.db2.gz QJPWGNBEJCKCFZ-UHFFFAOYSA-N 0 0 241.341 2.455 10 0 BEAERN COC(=O)[C@H](C)SCc1occc1C ZINC000757167590 582548479 /nfs/dbraw/zinc/54/84/79/582548479.db2.gz XLNSVPCLMPLKOG-QMMMGPOBSA-N 0 0 214.286 2.383 10 0 BEAERN CC[C@]1(C)C(=O)C[C@H]1NC(=O)OC(C)(C)C ZINC000757169017 582549229 /nfs/dbraw/zinc/54/92/29/582549229.db2.gz UMCAFEVJONKHQX-PELKAZGASA-N 0 0 227.304 2.269 10 0 BEAERN Cc1nn(-c2ccc(O)cc2)c(Cl)c1C=O ZINC000757171643 582551212 /nfs/dbraw/zinc/55/12/12/582551212.db2.gz UWRYBRNKIGUUSQ-UHFFFAOYSA-N 0 0 236.658 2.352 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1cc2ccccc2s1 ZINC000757193750 582557567 /nfs/dbraw/zinc/55/75/67/582557567.db2.gz RPFMRGCMXARLSP-VHSXEESVSA-N 0 0 247.319 2.289 10 0 BEAERN CC(=O)c1cccc([C@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757218515 582562626 /nfs/dbraw/zinc/56/26/26/582562626.db2.gz VMBKSYXFTIZGIY-QWHCGFSZSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@H]1[NH2+]CCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757218731 582563663 /nfs/dbraw/zinc/56/36/63/582563663.db2.gz WRNNDGRTWJLDNB-SKDRFNHKSA-N 0 0 219.284 2.240 10 0 BEAERN CCCSCc1nccc(C(=O)OCC)n1 ZINC000300764053 582579685 /nfs/dbraw/zinc/57/96/85/582579685.db2.gz XNTDASKVUHPYTM-UHFFFAOYSA-N 0 0 240.328 2.297 10 0 BEAERN CCc1cc2n(n1)[C@H](C(F)F)CCN2 ZINC000234185016 582605909 /nfs/dbraw/zinc/60/59/09/582605909.db2.gz NZEHZNBIJXSYJO-ZETCQYMHSA-N 0 0 201.220 2.067 10 0 BEAERN Cc1nn2c(c1C)NCC[C@@H]2[C@H]1CCCO1 ZINC000236004684 582635455 /nfs/dbraw/zinc/63/54/55/582635455.db2.gz ODCAPOQQXXMRGS-GHMZBOCLSA-N 0 0 221.304 2.036 10 0 BEAERN Cc1nc2n(n1)[C@H](c1sccc1C)CCN2 ZINC000236035504 582636918 /nfs/dbraw/zinc/63/69/18/582636918.db2.gz UWHVEOCPRJGFCI-VIFPVBQESA-N 0 0 234.328 2.361 10 0 BEAERN Fc1ccc([C@@H]2CCNc3ccnn32)cc1 ZINC000236206488 582640974 /nfs/dbraw/zinc/64/09/74/582640974.db2.gz ZRXRHBNCEYCAIF-NSHDSACASA-N 0 0 217.247 2.427 10 0 BEAERN CS[C@H]1CCN(c2ccc(C=O)o2)C1 ZINC000306556374 582652912 /nfs/dbraw/zinc/65/29/12/582652912.db2.gz IBPNPONNFFDVNC-VIFPVBQESA-N 0 0 211.286 2.034 10 0 BEAERN CCC1(COC(=O)C=C2CCC2)COC1 ZINC000122169303 582661168 /nfs/dbraw/zinc/66/11/68/582661168.db2.gz DXQAGJCKZRPHIV-UHFFFAOYSA-N 0 0 210.273 2.067 10 0 BEAERN Cc1cc(C)c(N2CCCC2=O)cc1N ZINC000039308959 582675591 /nfs/dbraw/zinc/67/55/91/582675591.db2.gz QHLHPWBDTLVWTQ-UHFFFAOYSA-N 0 0 204.273 2.012 10 0 BEAERN Cc1cc(Cl)c(N)cc1N1CCCC1=O ZINC000039384570 582675880 /nfs/dbraw/zinc/67/58/80/582675880.db2.gz PFUFDQACGFALAE-UHFFFAOYSA-N 0 0 224.691 2.357 10 0 BEAERN Cc1cc(C)cc([C@H](O)c2cn[nH]c2)c1 ZINC000379771462 582683488 /nfs/dbraw/zinc/68/34/88/582683488.db2.gz AKYCZNBOHROLJE-LBPRGKRZSA-N 0 0 202.257 2.108 10 0 BEAERN Cc1occc1COC(=O)CCOC(C)C ZINC000113677475 588848257 /nfs/dbraw/zinc/84/82/57/588848257.db2.gz PGFSSBQASOGBPB-UHFFFAOYSA-N 0 0 226.272 2.446 10 0 BEAERN CC(C(=O)C(F)F)=C(O)C1CCCC1 ZINC000387403437 582865157 /nfs/dbraw/zinc/86/51/57/582865157.db2.gz BDEZNGTVNCYHCO-LURJTMIESA-N 0 0 204.216 2.216 10 0 BEAERN CCOC(OCC)[C@H]1CCC2(CC2)C1=O ZINC000706592816 582960640 /nfs/dbraw/zinc/96/06/40/582960640.db2.gz UAQOKYCQUMRYDT-VIFPVBQESA-N 0 0 212.289 2.145 10 0 BEAERN Cc1cc(Cl)ccc1[C@H](O)c1cn[nH]c1 ZINC000708446422 582979490 /nfs/dbraw/zinc/97/94/90/582979490.db2.gz IZHZGJBOQRCRHI-LLVKDONJSA-N 0 0 222.675 2.453 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]1(CC)C1CCCC1 ZINC000395783670 583067927 /nfs/dbraw/zinc/06/79/27/583067927.db2.gz ROFMEHFHULHEGS-CMPLNLGQSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cn(CCCC(F)(F)F)nc1N ZINC000123649839 583205539 /nfs/dbraw/zinc/20/55/39/583205539.db2.gz RRBBUAWBIXAVCI-UHFFFAOYSA-N 0 0 207.199 2.116 10 0 BEAERN CCOC(=O)[C@H](O)C1(F)C[C@@H](C)C[C@H](C)C1 ZINC000675052476 583301932 /nfs/dbraw/zinc/30/19/32/583301932.db2.gz FJICFNFYTZRXJF-GUBZILKMSA-N 0 0 232.295 2.075 10 0 BEAERN CC(C)c1c(N)n(C)nc1C(C)(F)F ZINC000300870140 583464142 /nfs/dbraw/zinc/46/41/42/583464142.db2.gz KPXTYJBKOKYOCM-UHFFFAOYSA-N 0 0 203.236 2.237 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccc(F)cc1 ZINC000026511887 583691169 /nfs/dbraw/zinc/69/11/69/583691169.db2.gz JTUJRFIZZJGWNY-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN CCc1nccn1-c1ccc(C(C)=O)nc1 ZINC000148004425 583819358 /nfs/dbraw/zinc/81/93/58/583819358.db2.gz BMGRCDIJFLRTGM-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN Cc1[n-]n(C)c(=O)c1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000675052793 583916359 /nfs/dbraw/zinc/91/63/59/583916359.db2.gz ASKKOJZYJKXBBT-SSDOTTSWSA-N 0 0 249.289 2.260 10 0 BEAERN CC(C)[C@@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000203287885 583966975 /nfs/dbraw/zinc/96/69/75/583966975.db2.gz BNOQFAHMVRLXEF-HTQZYQBOSA-N 0 0 218.243 2.462 10 0 BEAERN C/C=C/[C@H](O)C(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000900735968 584347406 /nfs/dbraw/zinc/34/74/06/584347406.db2.gz VEAHLJRGEXFSAO-CHULQOHASA-N 0 0 249.310 2.189 10 0 BEAERN C/C=C\[C@H](O)C(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000900735969 584347485 /nfs/dbraw/zinc/34/74/85/584347485.db2.gz VEAHLJRGEXFSAO-MEPZIYLKSA-N 0 0 249.310 2.189 10 0 BEAERN CC(=O)[C@@H]1Cc2c(Cl)cccc2C(=O)O1 ZINC000125229752 584946493 /nfs/dbraw/zinc/94/64/93/584946493.db2.gz JVAOGYIGLSPGLE-JTQLQIEISA-N 0 0 224.643 2.011 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccc(F)cc1 ZINC000103357239 585096554 /nfs/dbraw/zinc/09/65/54/585096554.db2.gz KEUNOYDZJYCKBK-VIFPVBQESA-N 0 0 226.247 2.151 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccccc1F ZINC000103356825 585096781 /nfs/dbraw/zinc/09/67/81/585096781.db2.gz YOLDGYPWONXSSP-VIFPVBQESA-N 0 0 226.247 2.151 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2cc(C)ccc2C)C1 ZINC000757185704 585329646 /nfs/dbraw/zinc/32/96/46/585329646.db2.gz CAZPCLFWGFMMHE-ZIAGYGMSSA-N 0 0 247.338 2.423 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccnc(Cl)c1 ZINC000103552045 585335973 /nfs/dbraw/zinc/33/59/73/585335973.db2.gz LAGMENOIZYOFGG-MRVPVSSYSA-N 0 0 243.690 2.061 10 0 BEAERN COc1cccc(CNC(=O)/C=C/C(C)(C)C)n1 ZINC000116740876 589036368 /nfs/dbraw/zinc/03/63/68/589036368.db2.gz WJLHPLVCSXSLKN-CMDGGOBGSA-N 0 0 248.326 2.309 10 0 BEAERN CC(C)OCc1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757564231 586254222 /nfs/dbraw/zinc/25/42/22/586254222.db2.gz CRHZVEUVAQDWPU-UHFFFAOYSA-N 0 0 246.314 2.457 10 0 BEAERN CC[C@H](C)OC(=O)CCCNC(=O)C(C)(C)C ZINC000103667377 586288642 /nfs/dbraw/zinc/28/86/42/586288642.db2.gz VDMMAFSCLVVWFH-JTQLQIEISA-N 0 0 243.347 2.271 10 0 BEAERN CCNc1nc(C(F)(F)F)nc2[nH]ccc21 ZINC000757566912 586306309 /nfs/dbraw/zinc/30/63/09/586306309.db2.gz LLPUHRLKEUPUJC-UHFFFAOYSA-N 0 0 230.193 2.360 10 0 BEAERN CCNc1nc(CC2CC2)nc2[nH]ccc21 ZINC000757569779 586381284 /nfs/dbraw/zinc/38/12/84/586381284.db2.gz VAPZTHJVUWNNPZ-UHFFFAOYSA-N 0 0 216.288 2.294 10 0 BEAERN C[C@@H]1C[C@@H]1COC(=O)[C@@H]1CC1(Cl)Cl ZINC000103682769 586407738 /nfs/dbraw/zinc/40/77/38/586407738.db2.gz UVTFBNFAQTWTMC-QYNIQEEDSA-N 0 0 223.099 2.379 10 0 BEAERN COC[C@H](C)C(=O)O[C@H](C)Cc1ccccc1 ZINC000103696115 586417092 /nfs/dbraw/zinc/41/70/92/586417092.db2.gz VIPCLKZWPDTFSV-NWDGAFQWSA-N 0 0 236.311 2.443 10 0 BEAERN CC(C)(C)COC(=O)CCOC[C@H]1CCCO1 ZINC000103700186 586417448 /nfs/dbraw/zinc/41/74/48/586417448.db2.gz ADMBISOVQUGDEV-LLVKDONJSA-N 0 0 244.331 2.161 10 0 BEAERN CC(C)(C)COC(=O)[C@@H]1CCCOC1 ZINC000103699602 586418566 /nfs/dbraw/zinc/41/85/66/586418566.db2.gz CRYPLUDKXMBWSU-SECBINFHSA-N 0 0 200.278 2.002 10 0 BEAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(C)(C)C ZINC000103701220 586418943 /nfs/dbraw/zinc/41/89/43/586418943.db2.gz HWNJBWCPBVOBMO-SECBINFHSA-N 0 0 243.347 2.127 10 0 BEAERN Cc1ccc2n[nH]nc2c1Br ZINC000757119238 586424589 /nfs/dbraw/zinc/42/45/89/586424589.db2.gz LZNYAFJZUBDGSM-UHFFFAOYSA-N 0 0 212.050 2.029 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1nc(C)c(C=O)s1 ZINC000757126386 586425855 /nfs/dbraw/zinc/42/58/55/586425855.db2.gz HIPAVELVMLWPSF-HZGVNTEJSA-N 0 0 213.302 2.344 10 0 BEAERN CC(=O)c1cnc([C@H](O)C2CCC2)s1 ZINC000757132327 586426253 /nfs/dbraw/zinc/42/62/53/586426253.db2.gz STTMGBHCTOETLL-SECBINFHSA-N 0 0 211.286 2.179 10 0 BEAERN CC[C@@H](C)[C@H](O)c1nc(C)c(C=O)s1 ZINC000757126393 586426276 /nfs/dbraw/zinc/42/62/76/586426276.db2.gz HIPAVELVMLWPSF-MUWHJKNJSA-N 0 0 213.302 2.344 10 0 BEAERN Cc1nc([C@@H](O)C(C)(C)F)sc1C=O ZINC000757123051 586426405 /nfs/dbraw/zinc/42/64/05/586426405.db2.gz AKPJWUBJNDLMLC-SSDOTTSWSA-N 0 0 217.265 2.046 10 0 BEAERN COC(=O)c1sc([C@H](O)CC(C)C)nc1C ZINC000757129678 586426460 /nfs/dbraw/zinc/42/64/60/586426460.db2.gz NXGXOAYJDIPWHB-MRVPVSSYSA-N 0 0 243.328 2.318 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1cc2ccccc2[nH]1 ZINC000757137282 586426830 /nfs/dbraw/zinc/42/68/30/586426830.db2.gz YSMXQZIWKUMALE-DTWKUNHWSA-N 0 0 204.273 2.349 10 0 BEAERN O=S(=O)(Cc1ccccc1Cl)C(F)F ZINC000757136777 586427076 /nfs/dbraw/zinc/42/70/76/586427076.db2.gz RSSVYWJSHDFQLX-UHFFFAOYSA-N 0 0 240.658 2.477 10 0 BEAERN CCn1c(SC(F)F)nnc1C1CC1 ZINC000757137267 586427090 /nfs/dbraw/zinc/42/70/90/586427090.db2.gz YRCGPEBEWNCTMH-UHFFFAOYSA-N 0 0 219.260 2.490 10 0 BEAERN COC(=O)[C@@]1(F)C(=O)CC(C)(C)CC1(C)C ZINC000757183566 586434191 /nfs/dbraw/zinc/43/41/91/586434191.db2.gz PPLYYXAKNPIFKO-LBPRGKRZSA-N 0 0 230.279 2.283 10 0 BEAERN Cc1c(Cl)cc2c(c1Cl)NC(=O)C2=O ZINC000757192970 586434716 /nfs/dbraw/zinc/43/47/16/586434716.db2.gz XNPSXSXYIUEZCN-UHFFFAOYSA-N 0 0 230.050 2.437 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2cccc(C)c2)C1 ZINC000757186263 586434746 /nfs/dbraw/zinc/43/47/46/586434746.db2.gz GALFQMKOWLYPAI-OLZOCXBDSA-N 0 0 233.311 2.115 10 0 BEAERN CCc1ccc([C@H]2C[N@H+](CC)C[C@@H]2C(=O)[O-])cc1 ZINC000757187497 586434784 /nfs/dbraw/zinc/43/47/84/586434784.db2.gz GRUGFSGWMKGAOU-KGLIPLIRSA-N 0 0 247.338 2.369 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2C)C1 ZINC000757188986 586435177 /nfs/dbraw/zinc/43/51/77/586435177.db2.gz IXEDRNZXUWECHQ-OLZOCXBDSA-N 0 0 233.311 2.115 10 0 BEAERN CCOC(=O)/C=C/c1cnc(Cl)s1 ZINC000757191353 586435851 /nfs/dbraw/zinc/43/58/51/586435851.db2.gz UNOWXAXFRXPSFU-ONEGZZNKSA-N 0 0 217.677 2.373 10 0 BEAERN COC(=O)/C=C1\CCc2c(cccc2OC)C1 ZINC000757192917 586436096 /nfs/dbraw/zinc/43/60/96/586436096.db2.gz WJQVBOCGKZPETB-MDZDMXLPSA-N 0 0 232.279 2.283 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1cc2ccccc2s1 ZINC000757193749 586436264 /nfs/dbraw/zinc/43/62/64/586436264.db2.gz RPFMRGCMXARLSP-UWVGGRQHSA-N 0 0 247.319 2.289 10 0 BEAERN Cc1csc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1Cl ZINC000757194155 586436381 /nfs/dbraw/zinc/43/63/81/586436381.db2.gz VWSKONUWOWCCMG-BQBZGAKWSA-N 0 0 245.731 2.098 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757207036 586437532 /nfs/dbraw/zinc/43/75/32/586437532.db2.gz AUSNRBYTVVTELO-ICCXJUOJSA-N 0 0 247.294 2.013 10 0 BEAERN Cc1cncc(SC[C@@H](O)C(C)C)c1 ZINC000757213169 586439591 /nfs/dbraw/zinc/43/95/91/586439591.db2.gz OTFSIGSNCRUXMJ-LLVKDONJSA-N 0 0 211.330 2.499 10 0 BEAERN Cc1cncc(SC[C@H](O)C(C)C)c1 ZINC000757213170 586439632 /nfs/dbraw/zinc/43/96/32/586439632.db2.gz OTFSIGSNCRUXMJ-NSHDSACASA-N 0 0 211.330 2.499 10 0 BEAERN O=C([O-])[C@H]1CCC[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757218267 586441608 /nfs/dbraw/zinc/44/16/08/586441608.db2.gz UTCNDZROXCHYDC-VXGBXAGGSA-N 0 0 244.294 2.436 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218250 586441663 /nfs/dbraw/zinc/44/16/63/586441663.db2.gz URLBDRMTJHQOPY-CMPLNLGQSA-N 0 0 244.294 2.088 10 0 BEAERN O=C([O-])[C@H]1C[C@@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757220813 586442418 /nfs/dbraw/zinc/44/24/18/586442418.db2.gz ZOLVFHBCEARJTO-CMPLNLGQSA-N 0 0 244.294 2.088 10 0 BEAERN Cc1sc([C@H]2C[NH2+]C[C@H](C)C2)cc1C(=O)[O-] ZINC000757237554 586443886 /nfs/dbraw/zinc/44/38/86/586443886.db2.gz QFQGVUIRXKLJAI-VXNVDRBHSA-N 0 0 239.340 2.468 10 0 BEAERN CNc1nc(CC2CCC2)nc2[nH]ccc21 ZINC000757564344 586461324 /nfs/dbraw/zinc/46/13/24/586461324.db2.gz DIFSUARUZPHBCI-UHFFFAOYSA-N 0 0 216.288 2.294 10 0 BEAERN Nc1c(Cl)nccc1C1=CCOCC1 ZINC000757565770 586461550 /nfs/dbraw/zinc/46/15/50/586461550.db2.gz ICDTYNBURPCWGW-UHFFFAOYSA-N 0 0 210.664 2.121 10 0 BEAERN CCS[C@@H](C)c1nc2[nH]ccc2c(N)n1 ZINC000757568895 586462128 /nfs/dbraw/zinc/46/21/28/586462128.db2.gz RYSIPGHGOQVQJY-LURJTMIESA-N 0 0 222.317 2.306 10 0 BEAERN CNc1nc(-c2ccco2)nc2[nH]ccc21 ZINC000757568949 586462145 /nfs/dbraw/zinc/46/21/45/586462145.db2.gz SIYMWIBVYIMOCS-UHFFFAOYSA-N 0 0 214.228 2.211 10 0 BEAERN CC(C)(C)/C=C/C(=O)OCC1(C)COC1 ZINC000117085213 589074628 /nfs/dbraw/zinc/07/46/28/589074628.db2.gz FGVOEDNZMNTLPO-AATRIKPKSA-N 0 0 212.289 2.168 10 0 BEAERN CCOc1ccccc1OC(=O)c1cnn(C)c1 ZINC000102707705 587853329 /nfs/dbraw/zinc/85/33/29/587853329.db2.gz JZOGCXUOIRRHIB-UHFFFAOYSA-N 0 0 246.266 2.038 10 0 BEAERN Cc1ccc(OC(=O)c2cnn(C)c2)c(C)c1 ZINC000102792008 587866541 /nfs/dbraw/zinc/86/65/41/587866541.db2.gz NMQQNMZPRCRLPH-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN COC(=O)[C@@H](CC(C)C)OC(=O)C=C1CCC1 ZINC000121504977 587951754 /nfs/dbraw/zinc/95/17/54/587951754.db2.gz YSRKTYQKAVWGGM-LLVKDONJSA-N 0 0 240.299 2.228 10 0 BEAERN CS[C@@H](C)C(=O)OCc1scnc1C ZINC000105548211 588199782 /nfs/dbraw/zinc/19/97/82/588199782.db2.gz UQHMUPSCAYEZGH-ZETCQYMHSA-N 0 0 231.342 2.246 10 0 BEAERN CCCC(=O)NCC(=O)Oc1ccc(CC)cc1 ZINC000105755137 588220952 /nfs/dbraw/zinc/22/09/52/588220952.db2.gz DZPUHURJWMSKQZ-UHFFFAOYSA-N 0 0 249.310 2.071 10 0 BEAERN C/C=C/C(=O)N(C)CCOc1ccc(C)cc1 ZINC000105873093 588227251 /nfs/dbraw/zinc/22/72/51/588227251.db2.gz OSLRSDAYFXACRI-SNAWJCMRSA-N 0 0 233.311 2.408 10 0 BEAERN CC(C)CCSCC(=O)O[C@@H]1CCOC1 ZINC000107011592 588321928 /nfs/dbraw/zinc/32/19/28/588321928.db2.gz ZENYPYYYKJRBAT-SNVBAGLBSA-N 0 0 232.345 2.098 10 0 BEAERN C/C=C/COC(=O)c1ccc(-c2ncon2)cc1 ZINC000107363515 588355267 /nfs/dbraw/zinc/35/52/67/588355267.db2.gz HKBAORNJUMCMJQ-NSCUHMNNSA-N 0 0 244.250 2.470 10 0 BEAERN CCCOCCOC(=O)COC1CCCCC1 ZINC000107412683 588362783 /nfs/dbraw/zinc/36/27/83/588362783.db2.gz VQRLQZPVDDIACQ-UHFFFAOYSA-N 0 0 244.331 2.306 10 0 BEAERN CO[C@@H](C)C(=O)OC[C@@H]1CCc2ccccc21 ZINC000107882056 588414684 /nfs/dbraw/zinc/41/46/84/588414684.db2.gz JWYCNDKPQUGQKP-JQWIXIFHSA-N 0 0 234.295 2.295 10 0 BEAERN O=C(COC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000109367757 588556604 /nfs/dbraw/zinc/55/66/04/588556604.db2.gz FEHWBYXUKMCMJV-UHFFFAOYSA-N 0 0 240.205 2.101 10 0 BEAERN CCCCOCC(=O)O[C@H]1CCC[C@@H](OC)C1 ZINC000118188238 589160946 /nfs/dbraw/zinc/16/09/46/589160946.db2.gz ZNWOZKFJWXZWCD-NEPJUHHUSA-N 0 0 244.331 2.304 10 0 BEAERN O=C(CCc1ccncc1)OCc1cccnc1 ZINC000119009718 589230513 /nfs/dbraw/zinc/23/05/13/589230513.db2.gz OZPJZDOWTGCSLK-UHFFFAOYSA-N 0 0 242.278 2.153 10 0 BEAERN O=C(/C=C/c1cccnc1)OCc1ccoc1 ZINC000119395773 589276746 /nfs/dbraw/zinc/27/67/46/589276746.db2.gz PJHQSFTYFFNEQZ-ONEGZZNKSA-N 0 0 229.235 2.431 10 0 BEAERN CO[C@@H](C)c1cccc(NC(=O)N(C)OC)c1 ZINC000120420977 589412807 /nfs/dbraw/zinc/41/28/07/589412807.db2.gz LQLFPPOHMSATNV-VIFPVBQESA-N 0 0 238.287 2.419 10 0 BEAERN CCC(CC)CC(=O)OCC(=O)C1CC1 ZINC000120514159 589423619 /nfs/dbraw/zinc/42/36/19/589423619.db2.gz MCAZRFAGJLTSFO-UHFFFAOYSA-N 0 0 212.289 2.335 10 0 BEAERN Cc1ccc2c(c1)CCCN2C[C@H](C)CO ZINC000120564905 589438454 /nfs/dbraw/zinc/43/84/54/589438454.db2.gz BSAKGVFXAQNSBL-LBPRGKRZSA-N 0 0 219.328 2.376 10 0 BEAERN CC(=O)CCN1CCc2c(F)cc(F)cc2C1 ZINC000120566287 589438506 /nfs/dbraw/zinc/43/85/06/589438506.db2.gz QJLFLZIIHUJHAQ-UHFFFAOYSA-N 0 0 239.265 2.302 10 0 BEAERN CCC(=CC(=O)N[C@H](C)[C@@H]1CCCO1)CC ZINC000120717303 589458300 /nfs/dbraw/zinc/45/83/00/589458300.db2.gz WAVQZAOWMDXDSO-PWSUYJOCSA-N 0 0 225.332 2.417 10 0 BEAERN COc1cc(N)cc(-c2ccncc2)c1 ZINC000205919491 589476314 /nfs/dbraw/zinc/47/63/14/589476314.db2.gz XKQQGPIBSPUIAZ-UHFFFAOYSA-N 0 0 200.241 2.339 10 0 BEAERN C[C@@H](OC(=O)C=C1CCC1)[C@@H]1CCOC1 ZINC000122044023 589551135 /nfs/dbraw/zinc/55/11/35/589551135.db2.gz USHAXIGQUCHWPC-MWLCHTKSSA-N 0 0 210.273 2.065 10 0 BEAERN C[C@@H](OC(=O)C=C1CCC1)[C@H]1CCOC1 ZINC000122044470 589551155 /nfs/dbraw/zinc/55/11/55/589551155.db2.gz USHAXIGQUCHWPC-KOLCDFICSA-N 0 0 210.273 2.065 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCc2cccc(F)c2)O1 ZINC000122301231 589577384 /nfs/dbraw/zinc/57/73/84/589577384.db2.gz IWIXQGKXXCOANZ-SKDRFNHKSA-N 0 0 238.258 2.436 10 0 BEAERN O=C(OCC(F)(F)F)c1ccnc(Cl)c1 ZINC000122304335 589577508 /nfs/dbraw/zinc/57/75/08/589577508.db2.gz BJOQOPQRCSJMKW-UHFFFAOYSA-N 0 0 239.580 2.454 10 0 BEAERN CCCCCC[C@H](C)CC(=O)N1CC(CO)C1 ZINC000122592582 589606277 /nfs/dbraw/zinc/60/62/77/589606277.db2.gz IZVBPMRPLDKCHZ-LBPRGKRZSA-N 0 0 241.375 2.434 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)C(C)C)C1 ZINC000123134440 589665776 /nfs/dbraw/zinc/66/57/76/589665776.db2.gz ATBIDDCASQBTHS-VHSXEESVSA-N 0 0 200.278 2.143 10 0 BEAERN O=C(/C=C/c1ccnc(Cl)c1)OCCF ZINC000123163651 589670670 /nfs/dbraw/zinc/67/06/70/589670670.db2.gz ZJVPPFDILKQCFC-OWOJBTEDSA-N 0 0 229.638 2.261 10 0 BEAERN CCOC(=O)/C=C1/CCCc2[nH]ccc21 ZINC000208929503 589756984 /nfs/dbraw/zinc/75/69/84/589756984.db2.gz KGHUJQALCRALGP-HJWRWDBZSA-N 0 0 205.257 2.298 10 0 BEAERN C[S@@](=O)CCNc1ccc2ccccc2n1 ZINC000124011009 589902925 /nfs/dbraw/zinc/90/29/25/589902925.db2.gz YEXYYQOOLLZDPZ-INIZCTEOSA-N 0 0 234.324 2.025 10 0 BEAERN Nc1cc(-c2ccc(F)cc2Cl)[nH]n1 ZINC000019430626 589910386 /nfs/dbraw/zinc/91/03/86/589910386.db2.gz OBSNRUCIWHDMTJ-UHFFFAOYSA-N 0 0 211.627 2.451 10 0 BEAERN CCCn1cnnc1COC(=O)/C=C(/C)C1CC1 ZINC000124384228 589983679 /nfs/dbraw/zinc/98/36/79/589983679.db2.gz XYHGSAQCCOZREE-YFHOEESVSA-N 0 0 249.314 2.088 10 0 BEAERN CCOc1cccnc1C(=O)OCC1CCC1 ZINC000124531272 590047197 /nfs/dbraw/zinc/04/71/97/590047197.db2.gz IRZKOAMRDYIEDZ-UHFFFAOYSA-N 0 0 235.283 2.437 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)Cc2ccoc2)C1 ZINC000124565588 590058429 /nfs/dbraw/zinc/05/84/29/590058429.db2.gz ZIHBSGXIGGGONV-NWDGAFQWSA-N 0 0 238.283 2.323 10 0 BEAERN CCCOCCOC(=O)/C=C/c1cccnc1 ZINC000124670100 590072246 /nfs/dbraw/zinc/07/22/46/590072246.db2.gz QLCUTPRVZIKOPP-AATRIKPKSA-N 0 0 235.283 2.065 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Oc2ccc(F)cc2)O1 ZINC000124780583 590084808 /nfs/dbraw/zinc/08/48/08/590084808.db2.gz HNAAXNLWHILJQL-LDYMZIIASA-N 0 0 224.231 2.299 10 0 BEAERN Nc1ccc(-c2nc(C[C@@H]3CCCO3)no2)cc1 ZINC000020557305 590121530 /nfs/dbraw/zinc/12/15/30/590121530.db2.gz VFWYJUXIPLDXMH-NSHDSACASA-N 0 0 245.282 2.040 10 0 BEAERN FC(F)Cn1cc(NCc2cncs2)cn1 ZINC000125134828 590125696 /nfs/dbraw/zinc/12/56/96/590125696.db2.gz SITWKIFXOQGCRJ-UHFFFAOYSA-N 0 0 244.270 2.217 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OC2(C3CC3)CC2)O1 ZINC000125486356 590166421 /nfs/dbraw/zinc/16/64/21/590166421.db2.gz MITXKHGREUXFEG-WCBMZHEXSA-N 0 0 210.273 2.040 10 0 BEAERN CONC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000125601717 590173538 /nfs/dbraw/zinc/17/35/38/590173538.db2.gz QHJYNSUKCGDDFO-LLVKDONJSA-N 0 0 238.262 2.064 10 0 BEAERN CO[C@@H](C)COC(=O)CCCC[C@@H](C)C(C)=O ZINC000126122519 590234944 /nfs/dbraw/zinc/23/49/44/590234944.db2.gz LRZLKWRAKPQEQC-MNOVXSKESA-N 0 0 244.331 2.350 10 0 BEAERN Cc1ccccc1[C@@H](O)CN(C)CC(F)F ZINC000126254302 590261160 /nfs/dbraw/zinc/26/11/60/590261160.db2.gz ULJCLYMDARTVCZ-NSHDSACASA-N 0 0 229.270 2.225 10 0 BEAERN CCCC[C@H](C)OC(=O)c1ccc2nncn2c1 ZINC000126521776 590330882 /nfs/dbraw/zinc/33/08/82/590330882.db2.gz QJYIXMSRKDHLLQ-JTQLQIEISA-N 0 0 247.298 2.465 10 0 BEAERN Cc1ccc([C@H](C)N[C@@H]2CCOC2=O)cc1F ZINC000126593210 590356384 /nfs/dbraw/zinc/35/63/84/590356384.db2.gz CRNKKOHMSUVNCM-JOYOIKCWSA-N 0 0 237.274 2.100 10 0 BEAERN Cc1ccc([C@H](C)N[C@H]2CCOC2=O)cc1F ZINC000126593606 590356849 /nfs/dbraw/zinc/35/68/49/590356849.db2.gz CRNKKOHMSUVNCM-CABZTGNLSA-N 0 0 237.274 2.100 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1cn(C)nc1C ZINC000126640534 590382065 /nfs/dbraw/zinc/38/20/65/590382065.db2.gz INOGYSYBOUJQAX-SECBINFHSA-N 0 0 224.304 2.464 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000126791013 590445691 /nfs/dbraw/zinc/44/56/91/590445691.db2.gz UNMQHNFZDXAQCG-ACZMJKKPSA-N 0 0 223.099 2.379 10 0 BEAERN CCCC[C@H](C)OC(=O)c1cnn(C)c1 ZINC000126864517 590476142 /nfs/dbraw/zinc/47/61/42/590476142.db2.gz SJCYRRXHKUNQFM-VIFPVBQESA-N 0 0 210.277 2.156 10 0 BEAERN COc1cccc(-n2cccn2)c1C(C)=O ZINC000126879568 590479540 /nfs/dbraw/zinc/47/95/40/590479540.db2.gz MXPRRONRYVRVQY-UHFFFAOYSA-N 0 0 216.240 2.084 10 0 BEAERN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccco1 ZINC000126959495 590516420 /nfs/dbraw/zinc/51/64/20/590516420.db2.gz ZWPDSJJCZPBPDA-GDPRMGEGSA-N 0 0 236.267 2.250 10 0 BEAERN CCCC[C@H](C)OC(=O)CNC(=O)C(C)(C)C ZINC000126962823 590524987 /nfs/dbraw/zinc/52/49/87/590524987.db2.gz IMJVIELOWWNEEI-JTQLQIEISA-N 0 0 243.347 2.271 10 0 BEAERN CCC[C@H](CC)OC(=O)CCc1ccnn1C ZINC000126981243 590526706 /nfs/dbraw/zinc/52/67/06/590526706.db2.gz BEDUVCOLBGEIOD-LBPRGKRZSA-N 0 0 238.331 2.475 10 0 BEAERN CC(C)OC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000127193443 590589279 /nfs/dbraw/zinc/58/92/79/590589279.db2.gz BNKZWTLQOGSYFY-WDEREUQCSA-N 0 0 227.304 2.175 10 0 BEAERN Cc1noc(C)c1C(=O)O[C@H](C)C(C)C ZINC000127510186 590695174 /nfs/dbraw/zinc/69/51/74/590695174.db2.gz SERXERQZQWVAKY-MRVPVSSYSA-N 0 0 211.261 2.493 10 0 BEAERN C[C@@H](Cn1cccn1)OC(=O)C(C1CC1)C1CC1 ZINC000127747391 590769312 /nfs/dbraw/zinc/76/93/12/590769312.db2.gz BQFOVRQVKODZIX-JTQLQIEISA-N 0 0 248.326 2.251 10 0 BEAERN CC(C)CCC(=O)OCCN1CCSCC1 ZINC000127893485 590840262 /nfs/dbraw/zinc/84/02/62/590840262.db2.gz DWQXYZQTMIBAEI-UHFFFAOYSA-N 0 0 245.388 2.015 10 0 BEAERN CC(C)NC(=S)N1C[C@@H](C)CC[C@@H]1C ZINC000127946486 590849781 /nfs/dbraw/zinc/84/97/81/590849781.db2.gz MHZQBBHRJWQNLJ-UWVGGRQHSA-N 0 0 214.378 2.390 10 0 BEAERN COC[C@H](C)NC(=S)N1C[C@@H](C)CC[C@@H]1C ZINC000127945611 590850036 /nfs/dbraw/zinc/85/00/36/590850036.db2.gz MXPPWEQMIRTECY-DCAQKATOSA-N 0 0 244.404 2.016 10 0 BEAERN O=C(COC(=O)C1=CCCCC1)C1CC1 ZINC000127987851 590864384 /nfs/dbraw/zinc/86/43/84/590864384.db2.gz AWDTYJXVYSNAAG-UHFFFAOYSA-N 0 0 208.257 2.009 10 0 BEAERN Cc1ccc([C@@H]2CCCC(=O)N2)cc1F ZINC000210723387 590961252 /nfs/dbraw/zinc/96/12/52/590961252.db2.gz OHQUZLGUKNCCDX-NSHDSACASA-N 0 0 207.248 2.475 10 0 BEAERN Cc1cc([C@@H]2CCCC(=O)N2)ccc1F ZINC000210723609 590961402 /nfs/dbraw/zinc/96/14/02/590961402.db2.gz AZMVPUVTIZTTBB-NSHDSACASA-N 0 0 207.248 2.475 10 0 BEAERN C=COCCOC(=O)Cc1cccc(C)c1 ZINC000128354628 591003390 /nfs/dbraw/zinc/00/33/90/591003390.db2.gz ZSYPNWNTJXODSL-UHFFFAOYSA-N 0 0 220.268 2.241 10 0 BEAERN C=COCCOC(=O)[C@H](OC)c1ccccc1 ZINC000128374093 591012482 /nfs/dbraw/zinc/01/24/82/591012482.db2.gz ZWSOOOXXEBSIAM-GFCCVEGCSA-N 0 0 236.267 2.077 10 0 BEAERN C=COCCOC(=O)COC1CCCCC1 ZINC000128393820 591017822 /nfs/dbraw/zinc/01/78/22/591017822.db2.gz DHVSWSHYRBCQIT-UHFFFAOYSA-N 0 0 228.288 2.039 10 0 BEAERN CC[C@@H](C)c1noc(-c2ccc(N)cn2)n1 ZINC000128429276 591038702 /nfs/dbraw/zinc/03/87/02/591038702.db2.gz ITNHSBYYEIDZQM-SSDOTTSWSA-N 0 0 218.260 2.227 10 0 BEAERN COc1cccc(CNC(=O)/C=C(/C)C2CC2)n1 ZINC000128546842 591118169 /nfs/dbraw/zinc/11/81/69/591118169.db2.gz TZVCWFTTXKWHEV-NTMALXAHSA-N 0 0 246.310 2.063 10 0 BEAERN C/C=C\C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000211345971 591161444 /nfs/dbraw/zinc/16/14/44/591161444.db2.gz RKKBSRKEQNFFJK-DJWKRKHSSA-N 0 0 244.294 2.093 10 0 BEAERN CCc1cc(C)c(C(=O)NN2CCCCC2)o1 ZINC000128764107 591161576 /nfs/dbraw/zinc/16/15/76/591161576.db2.gz CWJWEGMMYGVQNA-UHFFFAOYSA-N 0 0 236.315 2.281 10 0 BEAERN CCC1(NC(=O)c2ccnc(F)c2)CCC1 ZINC000128978031 591200064 /nfs/dbraw/zinc/20/00/64/591200064.db2.gz IXTFTXRRRJIGFW-UHFFFAOYSA-N 0 0 222.263 2.283 10 0 BEAERN CCCNC(=S)N1CC[C@@H](C(C)C)C1 ZINC000130078431 591434831 /nfs/dbraw/zinc/43/48/31/591434831.db2.gz MVQQDSRZOGEUOF-SNVBAGLBSA-N 0 0 214.378 2.249 10 0 BEAERN CONC(=O)c1cc2cc(Cl)ccc2o1 ZINC000025824996 591442992 /nfs/dbraw/zinc/44/29/92/591442992.db2.gz UBABRLVWNVDBTF-UHFFFAOYSA-N 0 0 225.631 2.377 10 0 BEAERN CCC(CC)([NH2+]Cc1ccoc1)C(=O)[O-] ZINC000130183404 591447228 /nfs/dbraw/zinc/44/72/28/591447228.db2.gz SAASDESCJOKLMK-UHFFFAOYSA-N 0 0 211.261 2.013 10 0 BEAERN OCc1[nH]c(C2CCCC2)nc1Br ZINC000213175229 591454325 /nfs/dbraw/zinc/45/43/25/591454325.db2.gz BSDMKZXRMNFXMD-UHFFFAOYSA-N 0 0 245.120 2.322 10 0 BEAERN O=C(CCc1ccncc1)OC1CCC1 ZINC000130527301 591479530 /nfs/dbraw/zinc/47/95/30/591479530.db2.gz XTHYMHVNNCSGFM-UHFFFAOYSA-N 0 0 205.257 2.110 10 0 BEAERN COCc1nc(C)c(C(=O)OC2CCC2)s1 ZINC000130524926 591479812 /nfs/dbraw/zinc/47/98/12/591479812.db2.gz HAYXCAKSOSGJEO-UHFFFAOYSA-N 0 0 241.312 2.307 10 0 BEAERN O=C(/C=C/c1cncc(F)c1)OC1CCC1 ZINC000130526586 591480062 /nfs/dbraw/zinc/48/00/62/591480062.db2.gz AQQXJRPUDCCVIG-SNAWJCMRSA-N 0 0 221.231 2.330 10 0 BEAERN CCO[C@H]1C[C@H](OC(=O)C2CC2)C12CCC2 ZINC000130619132 591488314 /nfs/dbraw/zinc/48/83/14/591488314.db2.gz CUIKJZRMLCWBIO-QWRGUYRKSA-N 0 0 224.300 2.287 10 0 BEAERN COC(=O)/C=C(\C)c1ccc(OC)c(OC)c1 ZINC000213772597 591499427 /nfs/dbraw/zinc/49/94/27/591499427.db2.gz OKAAEUGCRWIVDD-VQHVLOKHSA-N 0 0 236.267 2.280 10 0 BEAERN Cc1c(N)n(C)nc1-c1cccc(F)c1 ZINC000026511873 591517125 /nfs/dbraw/zinc/51/71/25/591517125.db2.gz MFWMZWIYFSMTGI-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)[C@@H](C)OC ZINC000131021269 591542816 /nfs/dbraw/zinc/54/28/16/591542816.db2.gz KRTDOVLKAZTGIY-MXWKQRLJSA-N 0 0 244.331 2.158 10 0 BEAERN Cc1ccc(CN(C)C(=O)c2cccc(F)n2)o1 ZINC000131106495 591553327 /nfs/dbraw/zinc/55/33/27/591553327.db2.gz SQQIZZNFVPWYBR-UHFFFAOYSA-N 0 0 248.257 2.394 10 0 BEAERN CC(C)=CC(=O)NCc1nccn1CC(C)C ZINC000131442757 591609922 /nfs/dbraw/zinc/60/99/22/591609922.db2.gz PPDSWQHQOXAWMZ-UHFFFAOYSA-N 0 0 235.331 2.122 10 0 BEAERN COC[C@@H](C)CNc1ccc(OC)c(OC)c1 ZINC000131679028 591636970 /nfs/dbraw/zinc/63/69/70/591636970.db2.gz ACMWAAWZEQHYQI-JTQLQIEISA-N 0 0 239.315 2.398 10 0 BEAERN COC[C@@H](C)CNc1ccc(OC)cc1OC ZINC000131670266 591637037 /nfs/dbraw/zinc/63/70/37/591637037.db2.gz AXAJIPORRAGDJA-JTQLQIEISA-N 0 0 239.315 2.398 10 0 BEAERN COC[C@H](C)CNc1ccc2c(c1)OCCO2 ZINC000131688109 591640645 /nfs/dbraw/zinc/64/06/45/591640645.db2.gz KXXCCOTXPWHVPV-SNVBAGLBSA-N 0 0 237.299 2.152 10 0 BEAERN Cc1c(N)n[nH]c1-c1cc(C)cc(F)c1 ZINC000131866612 591672566 /nfs/dbraw/zinc/67/25/66/591672566.db2.gz GKXLFCKFNJIHDM-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN O=C(CCc1ccncc1)OCC[C@@H]1CCCO1 ZINC000132087057 591686076 /nfs/dbraw/zinc/68/60/76/591686076.db2.gz XGTBWTJSHQLYJY-ZDUSSCGKSA-N 0 0 249.310 2.127 10 0 BEAERN CC/C=C(/C)C(=O)O[C@@H](COC)C1CC1 ZINC000132089300 591687783 /nfs/dbraw/zinc/68/77/83/591687783.db2.gz GCXPSIGXYPKYTK-GWZUUTHWSA-N 0 0 212.289 2.311 10 0 BEAERN CO[C@@H](C)CCOC(=O)/C=C/c1cncc(C)c1 ZINC000132135873 591689408 /nfs/dbraw/zinc/68/94/08/591689408.db2.gz GETXYYGGCLZJRO-ITKZLYELSA-N 0 0 249.310 2.371 10 0 BEAERN COC[C@@H](OC(=O)CCC(C)C)C1CC1 ZINC000132639662 591725474 /nfs/dbraw/zinc/72/54/74/591725474.db2.gz ZEEIUCKBGQOIIW-LLVKDONJSA-N 0 0 214.305 2.391 10 0 BEAERN COC[C@H](OC(=O)c1ccccc1)C1CC1 ZINC000132428635 591708604 /nfs/dbraw/zinc/70/86/04/591708604.db2.gz LZNOPVRMQWZZLV-LBPRGKRZSA-N 0 0 220.268 2.268 10 0 BEAERN COC[C@H](OC(=O)CCCSC)C1CC1 ZINC000132569744 591720929 /nfs/dbraw/zinc/72/09/29/591720929.db2.gz FVDILYULFNBXNF-JTQLQIEISA-N 0 0 232.345 2.098 10 0 BEAERN CCCCC(=O)O[C@@H](COC)C1CC1 ZINC000132635249 591726352 /nfs/dbraw/zinc/72/63/52/591726352.db2.gz BCQATIXLIPSTQA-JTQLQIEISA-N 0 0 200.278 2.145 10 0 BEAERN Cc1cc(CN[C@H](C)c2cncs2)no1 ZINC000132681762 591730846 /nfs/dbraw/zinc/73/08/46/591730846.db2.gz HJCKLGDMJPNRIL-MRVPVSSYSA-N 0 0 223.301 2.290 10 0 BEAERN COCCCC(=O)OCC(Cl)(Cl)Cl ZINC000132879811 591744449 /nfs/dbraw/zinc/74/44/49/591744449.db2.gz BRSMCKRKSHPCQZ-UHFFFAOYSA-N 0 0 249.521 2.326 10 0 BEAERN CCc1csc(NCC[C@@H](C)[S@](C)=O)n1 ZINC000133104559 591765316 /nfs/dbraw/zinc/76/53/16/591765316.db2.gz FRNVPWGKFLHZDT-ANRSDYALSA-N 0 0 246.401 2.275 10 0 BEAERN Cc1nc(C)n(C[C@@H](O)c2cc(C)cc(C)c2)n1 ZINC000133490432 591803432 /nfs/dbraw/zinc/80/34/32/591803432.db2.gz HHSOXCWDELJLTQ-CQSZACIVSA-N 0 0 245.326 2.245 10 0 BEAERN Cc1c(CCC(=O)O[C@H](C)C(C)C)cnn1C ZINC000133747393 591853509 /nfs/dbraw/zinc/85/35/09/591853509.db2.gz OXBPONVVMGZPPF-LLVKDONJSA-N 0 0 238.331 2.249 10 0 BEAERN COC(=O)Nc1ccccc1C(=O)N[C@@H]1C[C@H]1C ZINC000112896602 591853947 /nfs/dbraw/zinc/85/39/47/591853947.db2.gz FLCHUYXLGKLJKQ-LDYMZIIASA-N 0 0 248.282 2.003 10 0 BEAERN COc1ccc(Cn2cccc(C)c2=O)cc1 ZINC000134326530 591919883 /nfs/dbraw/zinc/91/98/83/591919883.db2.gz HGQVKBFITYSXGW-UHFFFAOYSA-N 0 0 229.279 2.214 10 0 BEAERN Cc1c(Cl)nnc(N[C@@H]2CCO[C@@H]2C)c1C ZINC000134583316 591938642 /nfs/dbraw/zinc/93/86/42/591938642.db2.gz ICGAMVVGFKZKPM-RKDXNWHRSA-N 0 0 241.722 2.336 10 0 BEAERN CO[C@@H](C(=O)Nc1n[nH]cc1C)c1ccccc1 ZINC000134683570 591946438 /nfs/dbraw/zinc/94/64/38/591946438.db2.gz GVCQHQJXDMXXBR-LLVKDONJSA-N 0 0 245.282 2.044 10 0 BEAERN COc1cc(C(=O)Nc2n[nH]cc2C)ccc1C ZINC000134671152 591946471 /nfs/dbraw/zinc/94/64/71/591946471.db2.gz DIEGHXHTRPZRRB-UHFFFAOYSA-N 0 0 245.282 2.287 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cc2ccccc2[nH]1 ZINC000134684744 591946504 /nfs/dbraw/zinc/94/65/04/591946504.db2.gz GXJNBXJNMAJKIW-UHFFFAOYSA-N 0 0 240.266 2.452 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccc(N(C)C)cc1 ZINC000134677394 591946773 /nfs/dbraw/zinc/94/67/73/591946773.db2.gz GQEAOMRFDNSWNQ-UHFFFAOYSA-N 0 0 244.298 2.036 10 0 BEAERN COc1ccc(C(=O)Nc2n[nH]cc2C)cc1F ZINC000134687052 591948174 /nfs/dbraw/zinc/94/81/74/591948174.db2.gz RDCAUNSBTQEYIA-UHFFFAOYSA-N 0 0 249.245 2.118 10 0 BEAERN COc1cccc(F)c1C(=O)Nc1n[nH]cc1C ZINC000134826192 591953462 /nfs/dbraw/zinc/95/34/62/591953462.db2.gz SQWQDIGCZYBXNM-UHFFFAOYSA-N 0 0 249.245 2.118 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cccc(C)c1F ZINC000135037354 591975211 /nfs/dbraw/zinc/97/52/11/591975211.db2.gz CHUUGRYPOUHTAW-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN c1cc(CNCc2cncc3ccccc32)n[nH]1 ZINC000135378662 592011062 /nfs/dbraw/zinc/01/10/62/592011062.db2.gz RMMFKOFCZNQJMS-UHFFFAOYSA-N 0 0 238.294 2.248 10 0 BEAERN Cc1ncccc1-c1nnc([C@H]2CCCOC2)o1 ZINC000886052254 592140899 /nfs/dbraw/zinc/14/08/99/592140899.db2.gz INAPTQSVJFENEH-JTQLQIEISA-N 0 0 245.282 2.334 10 0 BEAERN Fc1cc(N2CCC[C@@H](C(F)(F)F)C2)ncn1 ZINC000136902400 592152115 /nfs/dbraw/zinc/15/21/15/592152115.db2.gz YCJGKIPOKIRVMN-SSDOTTSWSA-N 0 0 249.211 2.394 10 0 BEAERN CC(C)[C@@H]1CCC[C@@]2(C[NH2+]C[C@H]2C(=O)[O-])C1 ZINC000300237057 592505119 /nfs/dbraw/zinc/50/51/19/592505119.db2.gz VMAGTRGTYYXJPK-MDZLAQPJSA-N 0 0 225.332 2.123 10 0 BEAERN CCCCN(c1ncc(C=O)cn1)C1CC1 ZINC000126397319 592724722 /nfs/dbraw/zinc/72/47/22/592724722.db2.gz FTSKXWAYFDNRHH-UHFFFAOYSA-N 0 0 219.288 2.058 10 0 BEAERN CC[C@H]1CC[C@H](C)N1c1ncc(C=O)cn1 ZINC000126430135 592724719 /nfs/dbraw/zinc/72/47/19/592724719.db2.gz JASHVYYOLUMONJ-ONGXEEELSA-N 0 0 219.288 2.056 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)O[C@H](C#N)C(C)(C)C)O1 ZINC000248740451 635116013 /nfs/dbraw/zinc/11/60/13/635116013.db2.gz FAELYEGDUJKNGE-OPRDCNLKSA-N 0 0 225.288 2.035 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000336778338 635289088 /nfs/dbraw/zinc/28/90/88/635289088.db2.gz LBZDITPHTLPWPR-RNFRBKRXSA-N 0 0 234.221 2.282 10 0 BEAERN CCC1(CC)CCN(C(=O)n2ccnc2)C1 ZINC000094997097 635403682 /nfs/dbraw/zinc/40/36/82/635403682.db2.gz JBGBWYNEACDWBT-UHFFFAOYSA-N 0 0 221.304 2.363 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@H]2CCCCN2)n1 ZINC000232886254 635515590 /nfs/dbraw/zinc/51/55/90/635515590.db2.gz XDVIHNUBLITVMQ-RKDXNWHRSA-N 0 0 221.304 2.398 10 0 BEAERN CC1(C)C[C@@H]1c1noc(-c2ccc(N)nc2)n1 ZINC000232889095 635522406 /nfs/dbraw/zinc/52/24/06/635522406.db2.gz JFWGTYHFOSSMQW-MRVPVSSYSA-N 0 0 230.271 2.227 10 0 BEAERN CS/C=C\C(=O)OC[C@@H]1CC1(C)C ZINC000308300197 631273656 /nfs/dbraw/zinc/27/36/56/631273656.db2.gz KABNCXLBOQCKDB-LGYSABEFSA-N 0 0 200.303 2.452 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC/C=C\Br)O1 ZINC000308402985 631327113 /nfs/dbraw/zinc/32/71/13/631327113.db2.gz JTPWOGNTMBSEFQ-RKCGRGOXSA-N 0 0 249.104 2.006 10 0 BEAERN CC(C)(C)OC(=O)NCC[C@@H]1CCCO1 ZINC000082609409 631407608 /nfs/dbraw/zinc/40/76/08/631407608.db2.gz ZQGMPUYLPOELCR-VIFPVBQESA-N 0 0 215.293 2.080 10 0 BEAERN O=C(OCc1ccoc1)[C@@H]1C[C@H]1C1CC1 ZINC000176107033 631523945 /nfs/dbraw/zinc/52/39/45/631523945.db2.gz ZETLGJZISGHUCJ-WDEREUQCSA-N 0 0 206.241 2.369 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000308888390 631715228 /nfs/dbraw/zinc/71/52/28/631715228.db2.gz VDFSAQOEJQJEAW-WCBMZHEXSA-N 0 0 226.707 2.450 10 0 BEAERN CCCOC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000308883700 631716566 /nfs/dbraw/zinc/71/65/66/631716566.db2.gz WGVKWNXJVAEQQC-QMMMGPOBSA-N 0 0 212.249 2.180 10 0 BEAERN CC[C@H](C)c1noc([C@H](N)CC2CC2)n1 ZINC000308887493 631718456 /nfs/dbraw/zinc/71/84/56/631718456.db2.gz XEQKMBLIOGVWEQ-IONNQARKSA-N 0 0 209.293 2.383 10 0 BEAERN CCCCN[C@@H](CC(C)(C)C)C(=O)OC ZINC000308964148 631770433 /nfs/dbraw/zinc/77/04/33/631770433.db2.gz UCTBEGXMNXNYMH-JTQLQIEISA-N 0 0 215.337 2.354 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1nnc(C(C)(C)C)s1 ZINC000309060064 631835402 /nfs/dbraw/zinc/83/54/02/631835402.db2.gz WADTUFAHWRWOOO-NKWVEPMBSA-N 0 0 229.349 2.017 10 0 BEAERN Cn1cc(C(=O)OC2CCCCCC2)ccc1=O ZINC000127749064 631881663 /nfs/dbraw/zinc/88/16/63/631881663.db2.gz CCLFAZDGTDQYQV-UHFFFAOYSA-N 0 0 249.310 2.265 10 0 BEAERN CSCC[C@@H](N)c1nc([C@H]2CC2(C)C)no1 ZINC000235056230 631911556 /nfs/dbraw/zinc/91/15/56/631911556.db2.gz JABOPZQXWSLKEW-HTQZYQBOSA-N 0 0 241.360 2.336 10 0 BEAERN CC(C)(C)SCC(=O)NN1CCCCC1 ZINC000121870885 631982591 /nfs/dbraw/zinc/98/25/91/631982591.db2.gz NPSNZRFMMHQCAV-UHFFFAOYSA-N 0 0 230.377 2.035 10 0 BEAERN COc1cccc([C@@H]2CCCCC(=O)N2)c1 ZINC000039261422 632026180 /nfs/dbraw/zinc/02/61/80/632026180.db2.gz VJVYZECAVLMUCV-LBPRGKRZSA-N 0 0 219.284 2.427 10 0 BEAERN CC[C@H](C)NC(=O)CSC(C)(C)C ZINC000121664378 632073351 /nfs/dbraw/zinc/07/33/51/632073351.db2.gz ZADUZNWAWDSPJP-QMMMGPOBSA-N 0 0 203.351 2.433 10 0 BEAERN COCCCCN1CC[C@H](O)c2ccccc21 ZINC000123543145 632078105 /nfs/dbraw/zinc/07/81/05/632078105.db2.gz AXHHAKKBPARYMX-AWEZNQCLSA-N 0 0 235.327 2.357 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000308888388 632088417 /nfs/dbraw/zinc/08/84/17/632088417.db2.gz VDFSAQOEJQJEAW-SCZZXKLOSA-N 0 0 226.707 2.450 10 0 BEAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1cncc(F)c1 ZINC000235197380 632524159 /nfs/dbraw/zinc/52/41/59/632524159.db2.gz VFYIAUAIMMABIJ-BDAKNGLRSA-N 0 0 234.278 2.356 10 0 BEAERN Cn1ncc(-c2cccc(Cl)c2F)c1N ZINC000169268178 632530709 /nfs/dbraw/zinc/53/07/09/632530709.db2.gz WTHRPWJDLFFNOX-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN CSc1cnc(NC[C@H](O)C(C)(C)C)nc1 ZINC000309704495 632654200 /nfs/dbraw/zinc/65/42/00/632654200.db2.gz NYJPMQMCEOIYIW-VIFPVBQESA-N 0 0 241.360 2.017 10 0 BEAERN C[C@@H](O)c1cccc(OCc2cnns2)c1 ZINC000309812152 632672793 /nfs/dbraw/zinc/67/27/93/632672793.db2.gz ZMBHNDWTDRFAHW-MRVPVSSYSA-N 0 0 236.296 2.170 10 0 BEAERN OCC[C@@H]1CCN(C/C(Cl)=C/Cl)C1 ZINC000162212806 632740411 /nfs/dbraw/zinc/74/04/11/632740411.db2.gz YBQATYAFJXAOJL-HXOPTJOXSA-N 0 0 224.131 2.010 10 0 BEAERN COC1(C)CCN(C(=O)N2CCCCC2)CC1 ZINC000310546646 632755896 /nfs/dbraw/zinc/75/58/96/632755896.db2.gz SNGIWHDYKUDBTC-UHFFFAOYSA-N 0 0 240.347 2.093 10 0 BEAERN C[C@@H](SC[C@@H](O)c1ccccc1)[C@H](C)O ZINC000235547210 632782279 /nfs/dbraw/zinc/78/22/79/632782279.db2.gz UEIZVKSVWLASGG-HOSYDEDBSA-N 0 0 226.341 2.223 10 0 BEAERN Cc1nccn1-c1cc(F)cc(C=O)c1 ZINC000235804222 632830029 /nfs/dbraw/zinc/83/00/29/632830029.db2.gz QEKXVYDHVCUMOR-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN Cc1nc(C)c(-c2nn(C)c(N)c2C)s1 ZINC000235952989 632855809 /nfs/dbraw/zinc/85/58/09/632855809.db2.gz AKPYGXBLKJRHGY-UHFFFAOYSA-N 0 0 222.317 2.051 10 0 BEAERN Cc1cnn(-c2c(F)cccc2C=O)c1 ZINC000235968287 632856791 /nfs/dbraw/zinc/85/67/91/632856791.db2.gz HEEDITAZMUPKLC-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC[C@@H](C)O1)C1CCC1 ZINC000177728914 632868579 /nfs/dbraw/zinc/86/85/79/632868579.db2.gz ZVKAUYMEPLKUFO-WCABBAIRSA-N 0 0 212.289 2.286 10 0 BEAERN C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000075244790 632872741 /nfs/dbraw/zinc/87/27/41/632872741.db2.gz UJDPADYLZZKMRV-IUCAKERBSA-N 0 0 215.293 2.031 10 0 BEAERN CCOC[C@H](C)Nc1cc(Cl)nc(C)n1 ZINC000052837250 632903199 /nfs/dbraw/zinc/90/31/99/632903199.db2.gz KUGFUDXCWWEGKA-ZETCQYMHSA-N 0 0 229.711 2.275 10 0 BEAERN Cc1nc(Cl)cc(NCC[C@H]2CCCO2)n1 ZINC000052837206 632903279 /nfs/dbraw/zinc/90/32/79/632903279.db2.gz YRRKGJWUMVDKQQ-SECBINFHSA-N 0 0 241.722 2.419 10 0 BEAERN Nc1cncc(Br)c1OCC1CC1 ZINC000236375788 632926775 /nfs/dbraw/zinc/92/67/75/632926775.db2.gz WTTWAKOGBBZZES-UHFFFAOYSA-N 0 0 243.104 2.215 10 0 BEAERN CC(C)C[C@H](N)c1nc(Cc2ccncc2)no1 ZINC000053129444 633003135 /nfs/dbraw/zinc/00/31/35/633003135.db2.gz OISNWJZSEWRYNA-NSHDSACASA-N 0 0 246.314 2.101 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCO)C1 ZINC000149646913 633017831 /nfs/dbraw/zinc/01/78/31/633017831.db2.gz MCKPDOKMSMTHGK-UWVGGRQHSA-N 0 0 229.320 2.062 10 0 BEAERN CCC[C@H](C)OC(=O)[C@H]1CC[C@H](C)O1 ZINC000178215464 633032860 /nfs/dbraw/zinc/03/28/60/633032860.db2.gz YZZIZQZULFHWEW-LPEHRKFASA-N 0 0 200.278 2.286 10 0 BEAERN c1cc2c([nH]1)CCC[C@H]2NCc1csnn1 ZINC000309414627 633037326 /nfs/dbraw/zinc/03/73/26/633037326.db2.gz YMMURMFKSLHPMK-LLVKDONJSA-N 0 0 234.328 2.033 10 0 BEAERN CCCCOCCOC(=O)[C@@H](C)SC ZINC000122469199 633759257 /nfs/dbraw/zinc/75/92/57/633759257.db2.gz IGKYTVNINOHIOA-SECBINFHSA-N 0 0 220.334 2.098 10 0 BEAERN C[C@H](O)[C@H](C)Nc1nc2c(cccc2F)o1 ZINC000309897296 633912472 /nfs/dbraw/zinc/91/24/72/633912472.db2.gz GJHSSPYCCNAVMU-BQBZGAKWSA-N 0 0 224.235 2.148 10 0 BEAERN COC[C@@H](C)C(=O)NCCCCCCSC ZINC000181811588 633925713 /nfs/dbraw/zinc/92/57/13/633925713.db2.gz LTRXRFMLAJTRDV-LLVKDONJSA-N 0 0 247.404 2.309 10 0 BEAERN COC[C@H](C)C(=O)OCc1c(F)cccc1F ZINC000181971865 633931441 /nfs/dbraw/zinc/93/14/41/633931441.db2.gz VVYOEBPLRWPCLQ-QMMMGPOBSA-N 0 0 244.237 2.291 10 0 BEAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)[C@H](C)O ZINC000309977609 634012015 /nfs/dbraw/zinc/01/20/15/634012015.db2.gz UKXBTDBNJTUPLA-RQJHMYQMSA-N 0 0 234.221 2.282 10 0 BEAERN C[C@@H]1C[C@@H](c2cccc(C(=O)[O-])c2)CC[NH2+]1 ZINC000146978252 634048302 /nfs/dbraw/zinc/04/83/02/634048302.db2.gz XJLRJEYJJDQBBA-KOLCDFICSA-N 0 0 219.284 2.240 10 0 BEAERN CCOC[C@H](C)OC(=O)c1cnc(C)s1 ZINC000190759127 634194495 /nfs/dbraw/zinc/19/44/95/634194495.db2.gz ZTYDUWVSBNTKSO-ZETCQYMHSA-N 0 0 229.301 2.033 10 0 BEAERN CSC1(C(=O)O[C@@H](C)C2CCOCC2)CC1 ZINC000191194123 634208012 /nfs/dbraw/zinc/20/80/12/634208012.db2.gz OWNXEXZHJINOPZ-VIFPVBQESA-N 0 0 244.356 2.240 10 0 BEAERN CC/C=C(/C)C(=O)NCc1cccc(C)n1 ZINC000123212534 634229184 /nfs/dbraw/zinc/22/91/84/634229184.db2.gz GYNHCGQZERQKHX-POHAHGRESA-N 0 0 218.300 2.363 10 0 BEAERN CC(C)OCCN1CC[C@H](O)c2ccccc21 ZINC000123530534 634242207 /nfs/dbraw/zinc/24/22/07/634242207.db2.gz JIFVMWKRNZRKPG-AWEZNQCLSA-N 0 0 235.327 2.355 10 0 BEAERN Cc1cc(CN2CC[C@@H](O)c3ccccc32)no1 ZINC000123517768 634243264 /nfs/dbraw/zinc/24/32/64/634243264.db2.gz KJSVMFFDDRXBTD-CQSZACIVSA-N 0 0 244.294 2.427 10 0 BEAERN Cc1cc(CN2CC[C@@H](O)c3ccccc32)on1 ZINC000123515280 634243406 /nfs/dbraw/zinc/24/34/06/634243406.db2.gz RLYYBWQSYCGCHD-CQSZACIVSA-N 0 0 244.294 2.427 10 0 BEAERN O[C@H]1CCN(Cc2ccno2)c2ccccc21 ZINC000123553281 634246023 /nfs/dbraw/zinc/24/60/23/634246023.db2.gz HXKYRKQIPQTEOM-ZDUSSCGKSA-N 0 0 230.267 2.118 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)CCSC(F)(F)F ZINC000123586338 634247805 /nfs/dbraw/zinc/24/78/05/634247805.db2.gz TXTPWSSKSWNSAC-ZCFIWIBFSA-N 0 0 245.266 2.034 10 0 BEAERN CCC[C@@H](N)c1nc(-c2ccc(F)cn2)no1 ZINC000094043727 635170593 /nfs/dbraw/zinc/17/05/93/635170593.db2.gz RTYQGLRBXKSFOI-MRVPVSSYSA-N 0 0 236.250 2.071 10 0 BEAERN C[C@@H](Nc1nccc2occc21)[C@H](C)O ZINC000336774449 635287965 /nfs/dbraw/zinc/28/79/65/635287965.db2.gz ZUOKNVSXKNYWDB-SFYZADRCSA-N 0 0 206.245 2.009 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1nccc2occc21 ZINC000336774430 635288515 /nfs/dbraw/zinc/28/85/15/635288515.db2.gz ZUOKNVSXKNYWDB-HTQZYQBOSA-N 0 0 206.245 2.009 10 0 BEAERN Cc1noc([C@@H](C)OC(=O)C[C@@H]2C=CCC2)n1 ZINC000126417137 635818204 /nfs/dbraw/zinc/81/82/04/635818204.db2.gz MADSVNBWSSDAPL-PSASIEDQSA-N 0 0 236.271 2.339 10 0 BEAERN CC(C)C(=O)N[C@@H]1CCc2c1cccc2N ZINC000669380593 636581383 /nfs/dbraw/zinc/58/13/83/636581383.db2.gz RROONEOQZZAISP-GFCCVEGCSA-N 0 0 218.300 2.028 10 0 BEAERN C[C@H](Nc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@H]1C ZINC000321369536 636640963 /nfs/dbraw/zinc/64/09/63/636640963.db2.gz DWMBESZQBJTGOA-GBIKHYSHSA-N 0 0 248.326 2.007 10 0 BEAERN C[C@@H](Nc1ccc(OCC(N)=O)cc1)[C@H]1C[C@H]1C ZINC000321369534 636641820 /nfs/dbraw/zinc/64/18/20/636641820.db2.gz DWMBESZQBJTGOA-BREBYQMCSA-N 0 0 248.326 2.007 10 0 BEAERN O=C(OCC(F)(F)F)c1cccc2c1OCO2 ZINC000127663329 636763989 /nfs/dbraw/zinc/76/39/89/636763989.db2.gz PHSKWWNOLZAYAA-UHFFFAOYSA-N 0 0 248.156 2.134 10 0 BEAERN C=C(Cl)COC(=O)c1c[nH]nc1C(C)C ZINC000041691815 637017565 /nfs/dbraw/zinc/01/75/65/637017565.db2.gz LAMOWSROMHXLRN-UHFFFAOYSA-N 0 0 228.679 2.442 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Oc1ccc(C)c(C)c1 ZINC000171175262 637034035 /nfs/dbraw/zinc/03/40/35/637034035.db2.gz MUIWCSOVPFHYJY-VXGBXAGGSA-N 0 0 248.278 2.018 10 0 BEAERN CCCC(CCC)C(=O)N[C@H](C)[C@@H](C)O ZINC000346381763 637095513 /nfs/dbraw/zinc/09/55/13/637095513.db2.gz ONQRBZSQCWDCLX-NXEZZACHSA-N 0 0 215.337 2.088 10 0 BEAERN Cc1c(Cl)cccc1C(=O)N[C@@H](C)[C@H](C)O ZINC000346384391 637095206 /nfs/dbraw/zinc/09/52/06/637095206.db2.gz FAUHOLAKGPALOP-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN CCCC(CCC)C(=O)N[C@H](C)[C@H](C)O ZINC000346381770 637095645 /nfs/dbraw/zinc/09/56/45/637095645.db2.gz ONQRBZSQCWDCLX-ZJUUUORDSA-N 0 0 215.337 2.088 10 0 BEAERN CC[C@H](C(=O)N[C@H](C)[C@H](C)O)c1ccccc1 ZINC000346400485 637105954 /nfs/dbraw/zinc/10/59/54/637105954.db2.gz JUHVZRRSNXHWIN-MDZLAQPJSA-N 0 0 235.327 2.066 10 0 BEAERN CCc1ccc(CCC(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000346397311 637106027 /nfs/dbraw/zinc/10/60/27/637106027.db2.gz XRGUWINJSYINDX-NEPJUHHUSA-N 0 0 249.354 2.067 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)[C@H](C)O)ccc1Cl ZINC000346409458 637109096 /nfs/dbraw/zinc/10/90/96/637109096.db2.gz MOCLEOSVZDYDEI-BDAKNGLRSA-N 0 0 241.718 2.148 10 0 BEAERN CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000346418457 637112542 /nfs/dbraw/zinc/11/25/42/637112542.db2.gz NMKKUYVGNZDXKQ-GHMZBOCLSA-N 0 0 235.327 2.309 10 0 BEAERN Cc1c2ccccc2oc1C(=O)N[C@H](C)[C@@H](C)O ZINC000346431193 637126674 /nfs/dbraw/zinc/12/66/74/637126674.db2.gz SLFOISDOYXYVCB-NXEZZACHSA-N 0 0 247.294 2.240 10 0 BEAERN Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@@H](C)O ZINC000346440838 637139374 /nfs/dbraw/zinc/13/93/74/637139374.db2.gz ZHCJILWDFARZEG-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC000346434295 637140587 /nfs/dbraw/zinc/14/05/87/637140587.db2.gz UWQUCQXYACHZIP-VHSXEESVSA-N 0 0 239.359 2.088 10 0 BEAERN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)[C@H](C)O ZINC000346452085 637141505 /nfs/dbraw/zinc/14/15/05/637141505.db2.gz FIORWUBSHVXROK-MNOVXSKESA-N 0 0 249.354 2.483 10 0 BEAERN CCc1sc(C(=O)N[C@H](C)[C@@H](C)O)cc1C ZINC000346466627 637145869 /nfs/dbraw/zinc/14/58/69/637145869.db2.gz JCAGLXZGSJTMIW-RKDXNWHRSA-N 0 0 241.356 2.118 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000346540362 637166855 /nfs/dbraw/zinc/16/68/55/637166855.db2.gz YMESTGCYXJUPDO-WDEREUQCSA-N 0 0 249.354 2.483 10 0 BEAERN CC(C)[C@H](C)[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128672801 637217549 /nfs/dbraw/zinc/21/75/49/637217549.db2.gz JQHSQJHHJDJVNK-QMMMGPOBSA-N 0 0 211.261 2.112 10 0 BEAERN CCc1nccn1-c1ccc(C=O)cc1F ZINC000042419937 637238388 /nfs/dbraw/zinc/23/83/88/637238388.db2.gz RXOSOBBNZFRBJE-UHFFFAOYSA-N 0 0 218.231 2.386 10 0 BEAERN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128694517 637253346 /nfs/dbraw/zinc/25/33/46/637253346.db2.gz QPPUQEUKRGNAEG-KWQFWETISA-N 0 0 223.272 2.256 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000348138634 638493148 /nfs/dbraw/zinc/49/31/48/638493148.db2.gz IYQKYYLIOWVSEF-HTQZYQBOSA-N 0 0 242.706 2.231 10 0 BEAERN Cn1nc(C(C)(C)C)nc1-c1sccc1N ZINC000054698733 640303692 /nfs/dbraw/zinc/30/36/92/640303692.db2.gz WNIHCBQVQQHTFA-UHFFFAOYSA-N 0 0 236.344 2.423 10 0 BEAERN CC(C)Cc1nc(-c2sccc2N)n(C)n1 ZINC000054699009 640319027 /nfs/dbraw/zinc/31/90/27/640319027.db2.gz JEGADFAQZIPFTF-UHFFFAOYSA-N 0 0 236.344 2.324 10 0 BEAERN CC(C)(C)[C@H](O)CNOCc1ccccc1 ZINC000307603980 711485708 /nfs/dbraw/zinc/48/57/08/711485708.db2.gz VATQAXFCLQBGQS-GFCCVEGCSA-N 0 0 223.316 2.115 10 0 BEAERN COc1ccccc1[C@@H](C)NCc1cnccn1 ZINC000054765572 640407982 /nfs/dbraw/zinc/40/79/82/640407982.db2.gz NFDRXHITANAWRP-LLVKDONJSA-N 0 0 243.310 2.336 10 0 BEAERN CN(C)c1ccc(NCc2cncnc2)cc1 ZINC000054767284 640408323 /nfs/dbraw/zinc/40/83/23/640408323.db2.gz TTWFFPAAXOUTOU-UHFFFAOYSA-N 0 0 228.299 2.155 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cncnc2)o1 ZINC000054767409 640409398 /nfs/dbraw/zinc/40/93/98/640409398.db2.gz XFULIZDILVSORG-SNVBAGLBSA-N 0 0 217.272 2.229 10 0 BEAERN CO[C@H](C)COc1cccc([C@H](C)O)c1 ZINC000164041110 640434531 /nfs/dbraw/zinc/43/45/31/640434531.db2.gz UECOXHUZYDZRIO-ZJUUUORDSA-N 0 0 210.273 2.154 10 0 BEAERN COC(=O)N[C@@]12CCC[C@]1(OC)CC=CC2 ZINC000222040149 640447710 /nfs/dbraw/zinc/44/77/10/640447710.db2.gz OREFUGZKGUXKEI-NWDGAFQWSA-N 0 0 225.288 2.000 10 0 BEAERN Cc1nn(C)c(N)c1-c1cccc(C)c1 ZINC000055332112 640457062 /nfs/dbraw/zinc/45/70/62/640457062.db2.gz RTXXYYKOUXCCKL-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CONC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000045037441 640496932 /nfs/dbraw/zinc/49/69/32/640496932.db2.gz XUGNHSNDISFADR-SSDOTTSWSA-N 0 0 228.679 2.262 10 0 BEAERN Cn1nc(-c2cccc(F)c2Cl)cc1N ZINC000165259513 640549923 /nfs/dbraw/zinc/54/99/23/640549923.db2.gz KULGDCVBWBDESE-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN CC1(C)CC[C@H](Cn2cc(Cl)c(N)n2)O1 ZINC000166168048 640619980 /nfs/dbraw/zinc/61/99/80/640619980.db2.gz IPOVSPNOZPSIHV-SSDOTTSWSA-N 0 0 229.711 2.076 10 0 BEAERN CCc1cc(C(=O)N[C@H]2C[C@H]2C)cc(Cl)n1 ZINC000166556606 640647882 /nfs/dbraw/zinc/64/78/82/640647882.db2.gz ANHXPUDQSQAXCC-XCBNKYQSSA-N 0 0 238.718 2.436 10 0 BEAERN COCCCn1ccc2cccc(N)c21 ZINC000166795976 640678043 /nfs/dbraw/zinc/67/80/43/640678043.db2.gz GJNQLHHGVDULBS-UHFFFAOYSA-N 0 0 204.273 2.260 10 0 BEAERN CO[C@@H](C)Cn1ccc2cccc(N)c21 ZINC000166795550 640678709 /nfs/dbraw/zinc/67/87/09/640678709.db2.gz YDLDJPZGAXMSFR-VIFPVBQESA-N 0 0 204.273 2.258 10 0 BEAERN CCOC(=O)C[C@H]1CCC(C)(C)CO1 ZINC000038916879 640725337 /nfs/dbraw/zinc/72/53/37/640725337.db2.gz CEFIIPLENCZTDM-SECBINFHSA-N 0 0 200.278 2.145 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000226379563 640757827 /nfs/dbraw/zinc/75/78/27/640757827.db2.gz MWVOXMRZWSUZLD-QPUJVOFHSA-N 0 0 236.290 2.326 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)c2cccc(F)n2)o1 ZINC000226674730 640790282 /nfs/dbraw/zinc/79/02/82/640790282.db2.gz UQBRXACEFNJRLC-MRVPVSSYSA-N 0 0 249.245 2.008 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cnc(Cl)cn1 ZINC000227833749 640850884 /nfs/dbraw/zinc/85/08/84/640850884.db2.gz BPGJMMAGTHPWJH-YUMQZZPRSA-N 0 0 239.706 2.048 10 0 BEAERN CC(C)[C@H](C)Nc1ncnc2c1CCC2 ZINC000061276686 640948067 /nfs/dbraw/zinc/94/80/67/640948067.db2.gz GMXVTQMUTYMYPS-VIFPVBQESA-N 0 0 205.305 2.422 10 0 BEAERN CON(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171735154 641007559 /nfs/dbraw/zinc/00/75/59/641007559.db2.gz ZPXBQMMGLNQTKF-DTWKUNHWSA-N 0 0 241.237 2.088 10 0 BEAERN CON(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171735145 641008570 /nfs/dbraw/zinc/00/85/70/641008570.db2.gz ZPXBQMMGLNQTKF-RKDXNWHRSA-N 0 0 241.237 2.088 10 0 BEAERN CC(C)OCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000062227620 641027839 /nfs/dbraw/zinc/02/78/39/641027839.db2.gz CTYUSULQYVKGHP-UONOGXRCSA-N 0 0 247.338 2.331 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NOC1CCCC1 ZINC000230168663 641032073 /nfs/dbraw/zinc/03/20/73/641032073.db2.gz CWTGFNHGPHENKT-GXSJLCMTSA-N 0 0 211.305 2.413 10 0 BEAERN COC1CC(Nc2nc(C3CC3)ns2)C1 ZINC000230595623 641070177 /nfs/dbraw/zinc/07/01/77/641070177.db2.gz QUEWFCDARWVPGL-UHFFFAOYSA-N 0 0 225.317 2.005 10 0 BEAERN COC1CC(NC(=O)c2ccc(C)cc2F)C1 ZINC000230628713 641073819 /nfs/dbraw/zinc/07/38/19/641073819.db2.gz PMSPARASAXDDQF-UHFFFAOYSA-N 0 0 237.274 2.041 10 0 BEAERN CCC[C@H](C)C[N@@H+](CC(=O)[O-])CC(C)C ZINC000062742734 641084442 /nfs/dbraw/zinc/08/44/42/641084442.db2.gz NSYWTSHNVVYDMF-NSHDSACASA-N 0 0 215.337 2.465 10 0 BEAERN Cc1ccc(C)c([C@@H](O)c2cn[nH]c2)c1 ZINC000062778501 641088252 /nfs/dbraw/zinc/08/82/52/641088252.db2.gz GPVSLSNTCJRBPT-LBPRGKRZSA-N 0 0 202.257 2.108 10 0 BEAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](C/C=C/Cl)C1 ZINC000062877632 641106620 /nfs/dbraw/zinc/10/66/20/641106620.db2.gz YGQNGZIWDGFOSG-DUMNWFOQSA-N 0 0 231.723 2.316 10 0 BEAERN C/C=C/C(=O)N[C@@H]1CCOc2ccccc21 ZINC000088318370 641181005 /nfs/dbraw/zinc/18/10/05/641181005.db2.gz RUSCJKQQNDDTLG-XGQHYKRYSA-N 0 0 217.268 2.203 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=S)NC(C)C ZINC000231648009 641191505 /nfs/dbraw/zinc/19/15/05/641191505.db2.gz IYFMNTJKFJOLIN-RKDXNWHRSA-N 0 0 200.351 2.048 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1ccnc(C(=O)N(C)C)c1 ZINC000231663176 641193004 /nfs/dbraw/zinc/19/30/04/641193004.db2.gz YXIQDBUXAWCYAN-PWSUYJOCSA-N 0 0 247.342 2.384 10 0 BEAERN CCCNC(=S)N[C@H](CC)C(C)C ZINC000063909572 641263599 /nfs/dbraw/zinc/26/35/99/641263599.db2.gz IESMJBXWGFEQBR-SECBINFHSA-N 0 0 202.367 2.295 10 0 BEAERN Cc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)C(C)C ZINC000232423154 641277488 /nfs/dbraw/zinc/27/74/88/641277488.db2.gz PFFGDTJOUFAHFK-QMMMGPOBSA-N 0 0 225.288 2.420 10 0 BEAERN CC(=O)c1ccc(-n2nc(C)nc2C)cc1 ZINC000041062832 641540709 /nfs/dbraw/zinc/54/07/09/641540709.db2.gz XRMFPAIWYCHRNF-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN CSC[C@@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000156067955 641593563 /nfs/dbraw/zinc/59/35/63/641593563.db2.gz FZCSUUDAKUFPNT-ZJUUUORDSA-N 0 0 246.372 2.344 10 0 BEAERN CCC[C@H]([NH2+]CCc1cccc(F)c1)C(=O)[O-] ZINC000216260918 641710659 /nfs/dbraw/zinc/71/06/59/641710659.db2.gz KWHZRWGDIZKYER-LBPRGKRZSA-N 0 0 239.290 2.211 10 0 BEAERN COc1ccccc1OCC[C@H](O)C(C)C ZINC000032014819 641711366 /nfs/dbraw/zinc/71/13/66/641711366.db2.gz AJRBEYKBQCGEGY-NSHDSACASA-N 0 0 224.300 2.481 10 0 BEAERN CCCN1C[C@H](c2ccc(N)cc2)OC1=O ZINC000075456273 641756825 /nfs/dbraw/zinc/75/68/25/641756825.db2.gz JRIUZKNEJPVVGV-LLVKDONJSA-N 0 0 220.272 2.172 10 0 BEAERN CC(=O)c1cccc([C@@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000075808728 641770431 /nfs/dbraw/zinc/77/04/31/641770431.db2.gz RCCHIUHCWPYMNY-STQMWFEESA-N 0 0 247.294 2.157 10 0 BEAERN C[C@H](O)c1cccc(OCCOCC(F)F)c1 ZINC000189312332 641802075 /nfs/dbraw/zinc/80/20/75/641802075.db2.gz YUUPKNOOHRIMIL-VIFPVBQESA-N 0 0 246.253 2.400 10 0 BEAERN CCOC[C@H](C)OC(=O)CCC1CCOCC1 ZINC000190752314 641883119 /nfs/dbraw/zinc/88/31/19/641883119.db2.gz SUGOJUXYMFFEDS-NSHDSACASA-N 0 0 244.331 2.161 10 0 BEAERN CCOC[C@H](C)OC(=O)c1cccc(OC)c1 ZINC000190749578 641884310 /nfs/dbraw/zinc/88/43/10/641884310.db2.gz DIOFHZFZTNKXGL-JTQLQIEISA-N 0 0 238.283 2.277 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H]1CCO[C@H](CC)C1 ZINC000190769774 641885174 /nfs/dbraw/zinc/88/51/74/641885174.db2.gz NRVWPWNKLRCFNW-SDDRHHMPSA-N 0 0 244.331 2.160 10 0 BEAERN C[C@H]1CCCC[C@H]1N(C)C(=O)n1ccnc1 ZINC000032779614 641918420 /nfs/dbraw/zinc/91/84/20/641918420.db2.gz VQVNYJVHOKCLGP-WDEREUQCSA-N 0 0 221.304 2.362 10 0 BEAERN C[C@H]1CCCC[C@@H]1N(C)C(=O)n1ccnc1 ZINC000032779612 641919161 /nfs/dbraw/zinc/91/91/61/641919161.db2.gz VQVNYJVHOKCLGP-QWRGUYRKSA-N 0 0 221.304 2.362 10 0 BEAERN CC(C)COCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000191463637 641922641 /nfs/dbraw/zinc/92/26/41/641922641.db2.gz XMYDHMNTRQWPDS-NWDGAFQWSA-N 0 0 244.331 2.017 10 0 BEAERN CCSCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192105524 641962512 /nfs/dbraw/zinc/96/25/12/641962512.db2.gz UGSRUQBQXKHHBG-NXEZZACHSA-N 0 0 232.345 2.098 10 0 BEAERN COCCCCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192108420 641963157 /nfs/dbraw/zinc/96/31/57/641963157.db2.gz HOXBFRYOINXTJN-RYUDHWBXSA-N 0 0 244.331 2.161 10 0 BEAERN COC[C@H](C)C(=O)O[C@@H](C)CC(C)C ZINC000154137757 641967505 /nfs/dbraw/zinc/96/75/05/641967505.db2.gz GNQKADGNZUMTAE-UWVGGRQHSA-N 0 0 202.294 2.247 10 0 BEAERN CC1(C)C[C@H]1c1noc(-c2ccc(N)cn2)n1 ZINC000232869381 641999099 /nfs/dbraw/zinc/99/90/99/641999099.db2.gz USCMNLAAGKNEBS-QMMMGPOBSA-N 0 0 230.271 2.227 10 0 BEAERN CC(C)[C@H](C)NC(=O)C[C@H]1CSCCS1 ZINC000154446879 642090842 /nfs/dbraw/zinc/09/08/42/642090842.db2.gz UUBLJEHBOXMKPW-UWVGGRQHSA-N 0 0 247.429 2.386 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)N[C@H](C)[C@H](C)O ZINC000307991673 642363933 /nfs/dbraw/zinc/36/39/33/642363933.db2.gz JDNZRHAMGFMYSP-GRYCIOLGSA-N 0 0 229.364 2.334 10 0 BEAERN O=C(NCCCF)NCCC1=CCCC1 ZINC000123947808 642414290 /nfs/dbraw/zinc/41/42/90/642414290.db2.gz IUGDUJNIGWLZCU-UHFFFAOYSA-N 0 0 214.284 2.146 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)C(C)(Cl)Cl ZINC000308167583 642476055 /nfs/dbraw/zinc/47/60/55/642476055.db2.gz AIQASAKPJDBQLB-NKWVEPMBSA-N 0 0 224.131 2.485 10 0 BEAERN Cn1ccnc1[C@@H](N)c1ccc(Cl)cc1F ZINC000041042393 642510358 /nfs/dbraw/zinc/51/03/58/642510358.db2.gz SFGYPKIOLZOIQC-JTQLQIEISA-N 0 0 239.681 2.261 10 0 BEAERN CCCCOC(=O)[C@H]1CCO[C@@H]1CC ZINC000232971627 642636854 /nfs/dbraw/zinc/63/68/54/642636854.db2.gz KQZOGKMCQXJSOB-VHSXEESVSA-N 0 0 200.278 2.145 10 0 BEAERN CCCOc1c(N)cncc1Br ZINC000233249083 642656241 /nfs/dbraw/zinc/65/62/41/642656241.db2.gz QNMYGBLLZNXXNE-UHFFFAOYSA-N 0 0 231.093 2.215 10 0 BEAERN CSCCCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175228325 642662542 /nfs/dbraw/zinc/66/25/42/642662542.db2.gz PUEAZGKMEJCHBC-NXEZZACHSA-N 0 0 232.345 2.098 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC=CCC1)[C@H]1CCOC1 ZINC000175223901 642662635 /nfs/dbraw/zinc/66/26/35/642662635.db2.gz GZBGEGUJBRLBIA-SRVKXCTJSA-N 0 0 224.300 2.311 10 0 BEAERN CC/C=C(\C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175234138 642664422 /nfs/dbraw/zinc/66/44/22/642664422.db2.gz AUEAKMIGPVGWPQ-UJQHZETGSA-N 0 0 212.289 2.311 10 0 BEAERN CC(C)CCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175244144 642665571 /nfs/dbraw/zinc/66/55/71/642665571.db2.gz FVQQEUIXMDBFFW-WDEREUQCSA-N 0 0 214.305 2.391 10 0 BEAERN CCCc1nsc(NC2CC(OC)C2)n1 ZINC000233409528 642670681 /nfs/dbraw/zinc/67/06/81/642670681.db2.gz GKOOURNRUDLFDQ-UHFFFAOYSA-N 0 0 227.333 2.080 10 0 BEAERN C[C@@H](OC(=O)Cc1ccsc1)[C@H]1CCOC1 ZINC000175299887 642672754 /nfs/dbraw/zinc/67/27/54/642672754.db2.gz VJGYLUBZUGLHNT-KOLCDFICSA-N 0 0 240.324 2.259 10 0 BEAERN COc1cncc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000064552348 642677800 /nfs/dbraw/zinc/67/78/00/642677800.db2.gz ISZPXCKBJWOJJQ-JTQLQIEISA-N 0 0 234.299 2.105 10 0 BEAERN CC[C@@H](NC)c1nc([C@H]2CC2(C)C)no1 ZINC000233888683 642704244 /nfs/dbraw/zinc/70/42/44/642704244.db2.gz GOCGIJHUQAFBQI-HTQZYQBOSA-N 0 0 209.293 2.254 10 0 BEAERN CC[C@@H](C)Oc1ncc(N)cc1Cl ZINC000233860753 642704433 /nfs/dbraw/zinc/70/44/33/642704433.db2.gz FUWLHAYJGPHUQU-ZCFIWIBFSA-N 0 0 200.669 2.495 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)N1CCCCCC1 ZINC000233932412 642710551 /nfs/dbraw/zinc/71/05/51/642710551.db2.gz DAGIXUFJRHOMFC-RYUDHWBXSA-N 0 0 225.332 2.204 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)OC1CCCC1 ZINC000306093289 642722354 /nfs/dbraw/zinc/72/23/54/642722354.db2.gz KTPZLLZTASNGNV-ZYHUDNBSSA-N 0 0 241.331 2.206 10 0 BEAERN Cc1ncccc1C(=O)O[C@H](C)C1CCOCC1 ZINC000179666390 642737478 /nfs/dbraw/zinc/73/74/78/642737478.db2.gz LZHJWHDJKYJAHC-LLVKDONJSA-N 0 0 249.310 2.362 10 0 BEAERN COC[C@H](C)C(=O)OCc1sccc1C ZINC000180202585 642776814 /nfs/dbraw/zinc/77/68/14/642776814.db2.gz HFHKHIWGRZZXEC-VIFPVBQESA-N 0 0 228.313 2.382 10 0 BEAERN CON(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000180842677 642818867 /nfs/dbraw/zinc/81/88/67/642818867.db2.gz DMBIPWBYGCIFHT-DGCLKSJQSA-N 0 0 249.310 2.144 10 0 BEAERN CC(C)C[C@@H](N)c1nc(-c2ccoc2)no1 ZINC000069946055 642940409 /nfs/dbraw/zinc/94/04/09/642940409.db2.gz MVKJRLXJOXOUHO-SECBINFHSA-N 0 0 221.260 2.376 10 0 BEAERN C[C@@H](OC(=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000175277447 643087155 /nfs/dbraw/zinc/08/71/55/643087155.db2.gz UHVXWNDPNGDYKV-KOLCDFICSA-N 0 0 238.258 2.408 10 0 BEAERN CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)[O-] ZINC000084901956 643122318 /nfs/dbraw/zinc/12/23/18/643122318.db2.gz NTAUMAQZOJSLLN-DCAQKATOSA-N 0 0 213.321 2.264 10 0 BEAERN CCc1cnccc1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000183653720 643151689 /nfs/dbraw/zinc/15/16/89/643151689.db2.gz ZWMRGSVDMOGTLY-ZYHUDNBSSA-N 0 0 249.310 2.226 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCC2(C#N)CCCC2)O1 ZINC000183875359 643176288 /nfs/dbraw/zinc/17/62/88/643176288.db2.gz QLKYAWHETZHKCG-WDEREUQCSA-N 0 0 237.299 2.181 10 0 BEAERN C=CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000036334428 643176196 /nfs/dbraw/zinc/17/61/96/643176196.db2.gz ZQVVJVHLLMQEPO-UHFFFAOYSA-N 0 0 246.310 2.293 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCC[C@@H]2CCCO2)O1 ZINC000184415184 643209132 /nfs/dbraw/zinc/20/91/32/643209132.db2.gz NDLDHJRICDMKHP-GRYCIOLGSA-N 0 0 242.315 2.056 10 0 BEAERN Cc1nscc1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000184570267 643218418 /nfs/dbraw/zinc/21/84/18/643218418.db2.gz OOTFMFYLIPOXAF-RKDXNWHRSA-N 0 0 241.312 2.033 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCC(C)(C)CC#N)O1 ZINC000184799914 643239378 /nfs/dbraw/zinc/23/93/78/643239378.db2.gz CNLOGUADJZBFIQ-NXEZZACHSA-N 0 0 225.288 2.037 10 0 BEAERN CC(C)C(=O)c1ncc(C2(C)OCCO2)s1 ZINC000757122718 643239718 /nfs/dbraw/zinc/23/97/18/643239718.db2.gz FEMQEEDIQAQVMW-UHFFFAOYSA-N 0 0 241.312 2.201 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)CCOC(C)C)C1 ZINC000120624374 643241091 /nfs/dbraw/zinc/24/10/91/643241091.db2.gz RBTJDBFXCILWAP-NEPJUHHUSA-N 0 0 244.331 2.302 10 0 BEAERN C#CCCCCCOC(=O)[C@H](C)COC ZINC000185337571 643293441 /nfs/dbraw/zinc/29/34/41/643293441.db2.gz MNDKEHRFHNYAAW-LLVKDONJSA-N 0 0 212.289 2.006 10 0 BEAERN C#CCCCCCOC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000185332831 643296310 /nfs/dbraw/zinc/29/63/10/643296310.db2.gz UOCSPHAPSXKKLL-NEPJUHHUSA-N 0 0 224.300 2.291 10 0 BEAERN CC[C@H](C)c1noc([C@@H](N)CCSC)n1 ZINC000082561153 643342590 /nfs/dbraw/zinc/34/25/90/643342590.db2.gz LOMOFQYNWIJRRD-YUMQZZPRSA-N 0 0 229.349 2.336 10 0 BEAERN CC1(CNC(=O)n2ccnc2)CCCC1 ZINC000082625690 643355087 /nfs/dbraw/zinc/35/50/87/643355087.db2.gz VYSVGYUADCGLND-UHFFFAOYSA-N 0 0 207.277 2.021 10 0 BEAERN CC[C@H](NC)c1nc([C@H]2CC2(C)C)no1 ZINC000234054075 643358255 /nfs/dbraw/zinc/35/82/55/643358255.db2.gz GOCGIJHUQAFBQI-SFYZADRCSA-N 0 0 209.293 2.254 10 0 BEAERN CC1(C)CC(C(CO)CO)CC(C)(C)C1 ZINC000757190753 643363059 /nfs/dbraw/zinc/36/30/59/643363059.db2.gz GFEUORHBDHSLGL-UHFFFAOYSA-N 0 0 214.349 2.440 10 0 BEAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1ccc2sccc2c1 ZINC000757191384 643364358 /nfs/dbraw/zinc/36/43/58/643364358.db2.gz KIKOECHGLFEWCE-WDEREUQCSA-N 0 0 247.319 2.289 10 0 BEAERN C[C@@H]1CCNc2cc(-c3cccnc3)nn21 ZINC000235334470 643369311 /nfs/dbraw/zinc/36/93/11/643369311.db2.gz YJRWFJLOESNXCM-SECBINFHSA-N 0 0 214.272 2.322 10 0 BEAERN O=C1C[C@H](c2ccc(F)c(Br)c2)N1 ZINC000082762337 643375384 /nfs/dbraw/zinc/37/53/84/643375384.db2.gz GERKTRYDYRXATD-MRVPVSSYSA-N 0 0 244.063 2.149 10 0 BEAERN O=C1C[C@H](c2ccccc2Br)N1 ZINC000082762529 643376090 /nfs/dbraw/zinc/37/60/90/643376090.db2.gz PWPWUIFCGZBFFG-MRVPVSSYSA-N 0 0 226.073 2.010 10 0 BEAERN Cc1ccc(C)c(C(=O)CNC(=O)C2CC2)c1 ZINC000049821962 643463912 /nfs/dbraw/zinc/46/39/12/643463912.db2.gz VMYYQJAAMJNNQT-UHFFFAOYSA-N 0 0 231.295 2.012 10 0 BEAERN C/C=C(\C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000175825330 643467648 /nfs/dbraw/zinc/46/76/48/643467648.db2.gz RBIVTTZZFGHQIQ-WHKYXBHASA-N 0 0 223.316 2.123 10 0 BEAERN Clc1ncnc2c1nnn2C1CCCCC1 ZINC000224782606 643583071 /nfs/dbraw/zinc/58/30/71/643583071.db2.gz OYTFKBWEQFMZPP-UHFFFAOYSA-N 0 0 237.694 2.380 10 0 BEAERN FC(F)[C@@H]1CCn2cc(C(F)(F)F)nc2N1 ZINC000236126475 643596742 /nfs/dbraw/zinc/59/67/42/643596742.db2.gz RQBFPKYEBKHMFJ-BYPYZUCNSA-N 0 0 241.163 2.351 10 0 BEAERN C[C@]1(COCc2ccccc2)CCC(=O)O1 ZINC000196215216 643621262 /nfs/dbraw/zinc/62/12/62/643621262.db2.gz GTAMIGBAPNHMHJ-CYBMUJFWSA-N 0 0 220.268 2.299 10 0 BEAERN Cc1cnn(-c2ccc(C=O)cc2C)c1 ZINC000050545109 643631418 /nfs/dbraw/zinc/63/14/18/643631418.db2.gz JVKHIEXCOLTMTP-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN CC(C)c1nn(C)cc1-c1ccc(N)nc1 ZINC000085017934 643680773 /nfs/dbraw/zinc/68/07/73/643680773.db2.gz XPLLEYOSBQEWJN-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN O=C(/C=C/c1ccccc1)NCc1cscn1 ZINC000050408091 643699733 /nfs/dbraw/zinc/69/97/33/643699733.db2.gz VYIQOWBTXRYADX-VOTSOKGWSA-N 0 0 244.319 2.473 10 0 BEAERN C=CCCC[C@H](NC(=O)CC(C)C)C(=O)OC ZINC000059629224 643721461 /nfs/dbraw/zinc/72/14/61/643721461.db2.gz NVXWWSAIORUTHM-NSHDSACASA-N 0 0 241.331 2.047 10 0 BEAERN C[C@@H](O)c1cccc(OCCC(C)(C)O)c1 ZINC000086236690 643964840 /nfs/dbraw/zinc/96/48/40/643964840.db2.gz FKZQZYZEZUGUFC-SNVBAGLBSA-N 0 0 224.300 2.280 10 0 BEAERN C=C(C)CCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192239764 644140108 /nfs/dbraw/zinc/14/01/08/644140108.db2.gz GFMLMDPKKRMIKD-WDEREUQCSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCC1(C#N)CCC1 ZINC000192297775 644142656 /nfs/dbraw/zinc/14/26/56/644142656.db2.gz XMDVGDLLOGGHEB-WDEREUQCSA-N 0 0 237.299 2.039 10 0 BEAERN Cc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)o1 ZINC000079186715 644160422 /nfs/dbraw/zinc/16/04/22/644160422.db2.gz BYTUKHJVGWJWQL-ZJUUUORDSA-N 0 0 224.256 2.170 10 0 BEAERN Cc1ccc(C(=O)O[C@@H](C)[C@H]2CCOC2)o1 ZINC000079186714 644161163 /nfs/dbraw/zinc/16/11/63/644161163.db2.gz BYTUKHJVGWJWQL-UWVGGRQHSA-N 0 0 224.256 2.170 10 0 BEAERN COCc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000195256732 644374052 /nfs/dbraw/zinc/37/40/52/644374052.db2.gz UVLZGQVLFZMFPA-MFKMUULPSA-N 0 0 249.310 2.339 10 0 BEAERN CO[C@H](C)c1noc(-c2ccncc2Cl)n1 ZINC000084667818 644429081 /nfs/dbraw/zinc/42/90/81/644429081.db2.gz KZKIMZZHZJXPIS-ZCFIWIBFSA-N 0 0 239.662 2.492 10 0 BEAERN CC(=O)c1cccc(-n2nc(C)nc2C)c1 ZINC000085976296 644454630 /nfs/dbraw/zinc/45/46/30/644454630.db2.gz OHKHCLTUCJPIJD-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN Cc1c(N)n[nH]c1-c1ccc(C)cc1F ZINC000087331718 644490391 /nfs/dbraw/zinc/49/03/91/644490391.db2.gz SOWFNVUOXZANGN-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN Cc1ccn(-c2nc(Cl)c(C=O)s2)n1 ZINC000087768021 644500232 /nfs/dbraw/zinc/50/02/32/644500232.db2.gz DPUJKJRVEMFPNB-UHFFFAOYSA-N 0 0 227.676 2.103 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)O[C@H](C)c1ccccc1 ZINC000245392044 644521176 /nfs/dbraw/zinc/52/11/76/644521176.db2.gz ADIGMJRFWMDTSW-YUSALJHKSA-N 0 0 248.278 2.100 10 0 BEAERN CS[C@H](C)CC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000245633548 644534749 /nfs/dbraw/zinc/53/47/49/644534749.db2.gz QVDBFWKWTNLIMO-UTLUCORTSA-N 0 0 232.345 2.096 10 0 BEAERN CC[C@H](SC)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000246057675 644561467 /nfs/dbraw/zinc/56/14/67/644561467.db2.gz AKMTXUDTXOEOCH-UTLUCORTSA-N 0 0 232.345 2.096 10 0 BEAERN C[C@H](OC(=O)[C@@H](C)C1CC1)[C@H]1CCOC1 ZINC000246427896 644587500 /nfs/dbraw/zinc/58/75/00/644587500.db2.gz CKWXHJOXTABAEE-QXEWZRGKSA-N 0 0 212.289 2.001 10 0 BEAERN CCCCOC(=O)[C@@H](C)N1CCS[C@@H](C)C1 ZINC000246498729 644591705 /nfs/dbraw/zinc/59/17/05/644591705.db2.gz AXYLYBDMFUFTST-WDEREUQCSA-N 0 0 245.388 2.156 10 0 BEAERN C[C@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@@H]1CCOC1 ZINC000246630145 644599403 /nfs/dbraw/zinc/59/94/03/644599403.db2.gz YOPGWMBXHKRYGJ-OBPIAQAESA-N 0 0 238.327 2.391 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000248227671 644670757 /nfs/dbraw/zinc/67/07/57/644670757.db2.gz PZHVOJUCSZUZQP-FOGDFJRCSA-N 0 0 235.283 2.253 10 0 BEAERN CCc1c(N)n(C)nc1[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250137189 644747481 /nfs/dbraw/zinc/74/74/81/644747481.db2.gz PWVYKXSKWYIEDQ-AYMMMOKOSA-N 0 0 205.305 2.078 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H]1CC1(Cl)Cl ZINC000097039102 644864818 /nfs/dbraw/zinc/86/48/18/644864818.db2.gz LRHFFPCNTKALLT-RNFRBKRXSA-N 0 0 224.131 2.341 10 0 BEAERN CC(C)CC(=O)NCCC(=O)O[C@@H](C)C(C)C ZINC000127234655 645820072 /nfs/dbraw/zinc/82/00/72/645820072.db2.gz FWMNATAPUFCTQY-NSHDSACASA-N 0 0 243.347 2.127 10 0 BEAERN C[C@H]1CN(Cc2ccc(Cl)nn2)CCS1 ZINC000123324970 645920096 /nfs/dbraw/zinc/92/00/96/645920096.db2.gz BOQAEJPSQFKACY-QMMMGPOBSA-N 0 0 243.763 2.067 10 0 BEAERN COC[C@@H](C)NC(=S)NCCC1CCCC1 ZINC000135916551 711666268 /nfs/dbraw/zinc/66/62/68/711666268.db2.gz UZTZJWCMLQFVFP-SNVBAGLBSA-N 0 0 244.404 2.066 10 0 BEAERN C[C@H]1CCC(=O)CN1CC1CC(F)(F)C1 ZINC000725666925 711759868 /nfs/dbraw/zinc/75/98/68/711759868.db2.gz NYZSSRDGFOVWAP-QMMMGPOBSA-N 0 0 217.259 2.085 10 0 BEAERN C/C(=C\c1cccnc1)C(=O)N1CCCC1 ZINC000038221337 711782234 /nfs/dbraw/zinc/78/22/34/711782234.db2.gz FNDWVDLWYINLOB-PKNBQFBNSA-N 0 0 216.284 2.107 10 0 BEAERN Cc1cccc(C(=O)O[C@H]2COC[C@@H]2C)c1F ZINC000705812141 712135832 /nfs/dbraw/zinc/13/58/32/712135832.db2.gz IJPLUQBFNDYNTP-ONGXEEELSA-N 0 0 238.258 2.326 10 0 BEAERN O=C(c1cccnc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000706771787 712155544 /nfs/dbraw/zinc/15/55/44/712155544.db2.gz HFXDCBGVFSDHTE-SCZZXKLOSA-N 0 0 236.702 2.360 10 0 BEAERN CSC1CC(NC(=O)OC(C)C)C1 ZINC000707234502 712167154 /nfs/dbraw/zinc/16/71/54/712167154.db2.gz NUWFOCLZKOINMC-UHFFFAOYSA-N 0 0 203.307 2.015 10 0 BEAERN CCC(CC)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707806579 712179194 /nfs/dbraw/zinc/17/91/94/712179194.db2.gz LRBOWLKOEGQTTR-GFCCVEGCSA-N 0 0 225.332 2.250 10 0 BEAERN CCC(C)(C)c1noc(C[C@H](O)C(C)C)n1 ZINC000710736777 712255597 /nfs/dbraw/zinc/25/55/97/712255597.db2.gz HKYNPICADWDKOI-VIFPVBQESA-N 0 0 226.320 2.317 10 0 BEAERN O=C(NC[C@H]1C=CCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000711758900 712326360 /nfs/dbraw/zinc/32/63/60/712326360.db2.gz HXEAPNFVGVTFOK-YFKTTZPYSA-N 0 0 205.301 2.115 10 0 BEAERN CC(C)OC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711849732 712335619 /nfs/dbraw/zinc/33/56/19/712335619.db2.gz LLCCDXDRQVJSLV-NEPJUHHUSA-N 0 0 241.331 2.326 10 0 BEAERN COc1cc(OC)cc(OC(=O)C(C)C)c1 ZINC000121414508 712427424 /nfs/dbraw/zinc/42/74/24/712427424.db2.gz LZKUWTKBWPJCDR-UHFFFAOYSA-N 0 0 224.256 2.265 10 0 BEAERN CCC[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381529 712458493 /nfs/dbraw/zinc/45/84/93/712458493.db2.gz LQEGCOAFFBYVDU-QWRGUYRKSA-N 0 0 243.347 2.035 10 0 BEAERN CO[C@H]1C[C@H](CNc2nccnc2C(C)C)C1 ZINC000714624826 712488928 /nfs/dbraw/zinc/48/89/28/712488928.db2.gz WLRLYJQSMJWZTR-XYPYZODXSA-N 0 0 235.331 2.437 10 0 BEAERN CSCCCCNC(=S)NC(C)C ZINC000124501706 712626353 /nfs/dbraw/zinc/62/63/53/712626353.db2.gz BUKPETGOXKODRG-UHFFFAOYSA-N 0 0 220.407 2.002 10 0 BEAERN CCc1csc(N[C@H](C)c2cn(C)nn2)n1 ZINC000720584660 712854916 /nfs/dbraw/zinc/85/49/16/712854916.db2.gz TXUOBJAVUDNVFM-SSDOTTSWSA-N 0 0 237.332 2.007 10 0 BEAERN C[C@@H]1CN(C(=O)N2CCCCC2)CC(C)(C)O1 ZINC000133148293 710967176 /nfs/dbraw/zinc/96/71/76/710967176.db2.gz OHVATQDSEJMEEJ-LLVKDONJSA-N 0 0 240.347 2.092 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1CNc2ccccc21 ZINC000134007535 711478174 /nfs/dbraw/zinc/47/81/74/711478174.db2.gz OVXSAJVFHCDQFJ-JQWIXIFHSA-N 0 0 232.327 2.356 10 0 BEAERN Cc1cccc(CNC(=O)/C=C\c2ccco2)n1 ZINC000134116849 711485428 /nfs/dbraw/zinc/48/54/28/711485428.db2.gz INGFFBUCDYWLDR-FPLPWBNLSA-N 0 0 242.278 2.313 10 0 BEAERN CC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723619396 711526789 /nfs/dbraw/zinc/52/67/89/711526789.db2.gz HUWOQNWNOPAHSK-AWEZNQCLSA-N 0 0 246.354 2.499 10 0 BEAERN Cc1nccnc1N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723869179 711540319 /nfs/dbraw/zinc/54/03/19/711540319.db2.gz MATGRHXLZPUOPY-CHWSQXEVSA-N 0 0 247.342 2.402 10 0 BEAERN Cc1cnc(CN[C@@H](C)c2ccnn2C)c(C)c1 ZINC000724059453 711558364 /nfs/dbraw/zinc/55/83/64/711558364.db2.gz XMEYJRXBHRQFNT-LBPRGKRZSA-N 0 0 244.342 2.283 10 0 BEAERN CCCNC(=S)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724467337 711581978 /nfs/dbraw/zinc/58/19/78/711581978.db2.gz LKFTZCBLDFIGHL-JGPRNRPPSA-N 0 0 244.404 2.064 10 0 BEAERN CC[C@H](C)OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192105496 711708077 /nfs/dbraw/zinc/70/80/77/711708077.db2.gz PAGQLTDTAQSMOT-AEJSXWLSSA-N 0 0 200.278 2.143 10 0 BEAERN CC(=O)CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000125323156 711722143 /nfs/dbraw/zinc/72/21/43/711722143.db2.gz ANHVLHNAZROGRW-UHFFFAOYSA-N 0 0 240.391 2.019 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000722319385 711735132 /nfs/dbraw/zinc/73/51/32/711735132.db2.gz FDFLJTSJKJMTCT-MNOVXSKESA-N 0 0 227.304 2.079 10 0 BEAERN CCN(CCc1ccccc1)C(=O)n1ccnc1 ZINC000058049919 711827513 /nfs/dbraw/zinc/82/75/13/711827513.db2.gz MJOSBLIXXQLBTP-UHFFFAOYSA-N 0 0 243.310 2.416 10 0 BEAERN CC1(C)CCN(C(=O)n2ccnc2)CCS1 ZINC000227983652 711833248 /nfs/dbraw/zinc/83/32/48/711833248.db2.gz LHMPZODBZQSUSX-UHFFFAOYSA-N 0 0 239.344 2.069 10 0 BEAERN CC(C)COc1nc(Cl)ccc1N ZINC000228449155 711834800 /nfs/dbraw/zinc/83/48/00/711834800.db2.gz LHKBHZRKIITWKV-UHFFFAOYSA-N 0 0 200.669 2.352 10 0 BEAERN Cc1cc(C#N)ccc1Cn1ccc([C@H](C)O)n1 ZINC000186005315 711909219 /nfs/dbraw/zinc/90/92/19/711909219.db2.gz WLDXXMVHMWOCMO-NSHDSACASA-N 0 0 241.294 2.165 10 0 BEAERN CCCc1nccnc1NCCCCCCO ZINC000700131826 711986841 /nfs/dbraw/zinc/98/68/41/711986841.db2.gz YUDHIWLDPBMJFB-UHFFFAOYSA-N 0 0 237.347 2.394 10 0 BEAERN CC(C)C[C@@H](O)CNc1nccnc1C(C)C ZINC000700137535 711987003 /nfs/dbraw/zinc/98/70/03/711987003.db2.gz NURSFBSXMURVMP-LLVKDONJSA-N 0 0 237.347 2.419 10 0 BEAERN CC(C)OC(=O)NC[C@H](C)CC(F)F ZINC000700229880 711987884 /nfs/dbraw/zinc/98/78/84/711987884.db2.gz XELFUXKDRAEJBR-SSDOTTSWSA-N 0 0 209.236 2.412 10 0 BEAERN CC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700647123 712002007 /nfs/dbraw/zinc/00/20/07/712002007.db2.gz XMZNWDBWAIMRDG-MFKMUULPSA-N 0 0 233.311 2.043 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701464422 712023705 /nfs/dbraw/zinc/02/37/05/712023705.db2.gz RTMROSPCZJTJCB-GVXVVHGQSA-N 0 0 225.332 2.218 10 0 BEAERN CCCCCCC(=O)N1CC[C@@H](O)C[C@H]1C ZINC000705103438 712122264 /nfs/dbraw/zinc/12/22/64/712122264.db2.gz YTKKCMBRMKJOIP-VXGBXAGGSA-N 0 0 227.348 2.329 10 0 BEAERN Clc1ccc(CN2C[C@@H]3CCC[C@H]32)nn1 ZINC000706731302 712153437 /nfs/dbraw/zinc/15/34/37/712153437.db2.gz DUEHRKVCJQMDAR-WCBMZHEXSA-N 0 0 223.707 2.114 10 0 BEAERN Clc1ccc(CN2C[C@H]3CCC[C@H]32)nn1 ZINC000706731300 712153476 /nfs/dbraw/zinc/15/34/76/712153476.db2.gz DUEHRKVCJQMDAR-PSASIEDQSA-N 0 0 223.707 2.114 10 0 BEAERN Clc1ccc(CN2C[C@@H]3CCC[C@@H]32)nn1 ZINC000706731303 712153544 /nfs/dbraw/zinc/15/35/44/712153544.db2.gz DUEHRKVCJQMDAR-WPRPVWTQSA-N 0 0 223.707 2.114 10 0 BEAERN COc1cccc(O)c1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000706845662 712158203 /nfs/dbraw/zinc/15/82/03/712158203.db2.gz DWBMOVHIZZEWMC-VHSXEESVSA-N 0 0 247.294 2.025 10 0 BEAERN Clc1cnc(CN2C[C@H]3CCC[C@@H]32)cn1 ZINC000706916941 712158394 /nfs/dbraw/zinc/15/83/94/712158394.db2.gz UEAYNMCTEUIHHB-SCZZXKLOSA-N 0 0 223.707 2.114 10 0 BEAERN CSC1CC(Nc2cc(Cl)nc(N)n2)C1 ZINC000707170647 712166150 /nfs/dbraw/zinc/16/61/50/712166150.db2.gz CKDQZVQOQDMKOS-UHFFFAOYSA-N 0 0 244.751 2.018 10 0 BEAERN CCC(C)(C)NC(=O)NC1CC(SC)C1 ZINC000707275135 712167079 /nfs/dbraw/zinc/16/70/79/712167079.db2.gz SCJJGPOGUAIYAN-UHFFFAOYSA-N 0 0 230.377 2.368 10 0 BEAERN CC[N@H+](C[C@@H](C)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000707952702 712174221 /nfs/dbraw/zinc/17/42/21/712174221.db2.gz XMQUSJNOLMRGTL-NXEZZACHSA-N 0 0 215.337 2.464 10 0 BEAERN CC(=O)C1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000707766351 712177536 /nfs/dbraw/zinc/17/75/36/712177536.db2.gz DCKQEIAZWAZOEC-GXFFZTMASA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)C1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000707766353 712177635 /nfs/dbraw/zinc/17/76/35/712177635.db2.gz DCKQEIAZWAZOEC-MFKMUULPSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000707787097 712178526 /nfs/dbraw/zinc/17/85/26/712178526.db2.gz SKVPWXHWDCJYLI-JQWIXIFHSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000707809858 712179112 /nfs/dbraw/zinc/17/91/12/712179112.db2.gz ZWIJCUCCCGRWCQ-UMVBOHGHSA-N 0 0 249.354 2.394 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000707805931 712179384 /nfs/dbraw/zinc/17/93/84/712179384.db2.gz JRVVIOUFWFQKLI-CMPLNLGQSA-N 0 0 225.332 2.106 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC000707833923 712179699 /nfs/dbraw/zinc/17/96/99/712179699.db2.gz IVUUYMDKEJPKIP-SECBINFHSA-N 0 0 247.285 2.105 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC000707831869 712179738 /nfs/dbraw/zinc/17/97/38/712179738.db2.gz FLRVVEPWOIXIMN-MFKMUULPSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000707862564 712180675 /nfs/dbraw/zinc/18/06/75/712180675.db2.gz UNXWZDITUBRNHK-GFCCVEGCSA-N 0 0 249.310 2.040 10 0 BEAERN CC(=O)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000710114964 712245584 /nfs/dbraw/zinc/24/55/84/712245584.db2.gz DRSSOWKAEDKROS-LBPRGKRZSA-N 0 0 245.326 2.159 10 0 BEAERN CC(C)OC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711849750 712335682 /nfs/dbraw/zinc/33/56/82/712335682.db2.gz LLCCDXDRQVJSLV-VXGBXAGGSA-N 0 0 241.331 2.326 10 0 BEAERN CCn1nc(C)cc1-c1ccc(N)c(OC)c1 ZINC000712290376 712393625 /nfs/dbraw/zinc/39/36/25/712393625.db2.gz LHYCYSMIOGFTKZ-UHFFFAOYSA-N 0 0 231.299 2.469 10 0 BEAERN CCC[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337789 712482684 /nfs/dbraw/zinc/48/26/84/712482684.db2.gz KNKNWCDITBUSBB-WDEREUQCSA-N 0 0 243.347 2.177 10 0 BEAERN Cc1nc(N)ccc1-c1cnn(C)c1C(F)F ZINC000714729158 712496925 /nfs/dbraw/zinc/49/69/25/712496925.db2.gz YXDUNRNCUANREN-UHFFFAOYSA-N 0 0 238.241 2.310 10 0 BEAERN COCCn1cc(NCCc2ccccc2)cn1 ZINC000037090425 712535916 /nfs/dbraw/zinc/53/59/16/712535916.db2.gz VKYHIPSSESSVRZ-UHFFFAOYSA-N 0 0 245.326 2.184 10 0 BEAERN Cc1cc([C@@H](C)N[C@@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885442 712539878 /nfs/dbraw/zinc/53/98/78/712539878.db2.gz SDWKILIAIBIXAN-ZJUUUORDSA-N 0 0 248.330 2.437 10 0 BEAERN C[C@@H](NCC(F)(F)C(F)F)[C@H]1CCCO1 ZINC000379904088 712622773 /nfs/dbraw/zinc/62/27/73/712622773.db2.gz JKRQZUILYKADKH-RNFRBKRXSA-N 0 0 229.217 2.044 10 0 BEAERN CC(C)C[C@@H](N)c1nc(Cc2ccccn2)no1 ZINC000019233358 712625572 /nfs/dbraw/zinc/62/55/72/712625572.db2.gz SKANYBGYWVNEFF-LLVKDONJSA-N 0 0 246.314 2.101 10 0 BEAERN CNCc1nc(C(C2CCC2)C2CCC2)no1 ZINC000380157990 712701824 /nfs/dbraw/zinc/70/18/24/712701824.db2.gz KHIORFDVHDNZPF-UHFFFAOYSA-N 0 0 235.331 2.473 10 0 BEAERN CCC(=O)N1CCC[C@H]1C(=O)c1ccccc1 ZINC000041342195 712719476 /nfs/dbraw/zinc/71/94/76/712719476.db2.gz NPYLNNIHCSJKPS-LBPRGKRZSA-N 0 0 231.295 2.270 10 0 BEAERN C[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)C1CCCC1 ZINC000041315067 712719646 /nfs/dbraw/zinc/71/96/46/712719646.db2.gz KVAJKTKEZQNSSD-SRVKXCTJSA-N 0 0 239.359 2.449 10 0 BEAERN COCCSC[C@@H](O)c1ccccc1 ZINC000037652413 712734441 /nfs/dbraw/zinc/73/44/41/712734441.db2.gz FAXSGYPFYLCIHQ-LLVKDONJSA-N 0 0 212.314 2.100 10 0 BEAERN O=C(NCCC1CCCC1)n1ccnc1 ZINC000037741603 712753660 /nfs/dbraw/zinc/75/36/60/712753660.db2.gz DLEMZETYZBLGKS-UHFFFAOYSA-N 0 0 207.277 2.021 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1CCSC1 ZINC000718364692 712757079 /nfs/dbraw/zinc/75/70/79/712757079.db2.gz YZNZXQKICNXFPE-WDEREUQCSA-N 0 0 245.388 2.171 10 0 BEAERN CN(CC1CC1)C(=O)c1ccc2c(c1)CCN2 ZINC000037816374 712764681 /nfs/dbraw/zinc/76/46/81/712764681.db2.gz XBEFGTWYFXMBTJ-UHFFFAOYSA-N 0 0 230.311 2.137 10 0 BEAERN [NH3+]Cc1cnc(-c2ccc3c(c2)OCC3)s1 ZINC000718821747 712783967 /nfs/dbraw/zinc/78/39/67/712783967.db2.gz CCJYDZPEDNEYEF-UHFFFAOYSA-N 0 0 232.308 2.204 10 0 BEAERN CC(C)OC(=O)NCc1nc2c(s1)CCC2 ZINC000719507369 712808703 /nfs/dbraw/zinc/80/87/03/712808703.db2.gz KWODSKGYABFXDP-UHFFFAOYSA-N 0 0 240.328 2.266 10 0 BEAERN Cc1cccc(CN[C@H](C)c2cn(C)nn2)c1C ZINC000720598063 712855052 /nfs/dbraw/zinc/85/50/52/712855052.db2.gz YRRYUMDQNSFYBF-GFCCVEGCSA-N 0 0 244.342 2.283 10 0 BEAERN CC(C)OC(=O)NC1(C)CC(F)(F)C1 ZINC000720975134 712884895 /nfs/dbraw/zinc/88/48/95/712884895.db2.gz BIZBSRJUNOWQBK-UHFFFAOYSA-N 0 0 207.220 2.309 10 0 BEAERN CC(C)C[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000693453599 954754079 /nfs/dbraw/zinc/75/40/79/954754079.db2.gz ZEBMYYWSSAECEF-GRYCIOLGSA-N 0 0 227.348 2.464 10 0 BEAERN C[C@@H]1[C@H](C(=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000211511718 1165822465 /nfs/dbraw/zinc/82/24/65/1165822465.db2.gz OQFDOFNQUGJCIV-DGCLKSJQSA-N 0 0 233.311 2.372 10 0 BEAERN Nc1ccc(F)cc1C(=O)Nc1nccs1 ZINC000036882794 1166559203 /nfs/dbraw/zinc/55/92/03/1166559203.db2.gz ZUVHAPUFZICCSB-UHFFFAOYSA-N 0 0 237.259 2.117 10 0 BEAERN O=C([O-])[C@H]1[C@@H](C[NH2+]CCC2CCCC2)C1(F)F ZINC000715251052 977707266 /nfs/dbraw/zinc/70/72/66/977707266.db2.gz YSUBLNFZGKJUOL-NXEZZACHSA-N 0 0 247.285 2.122 10 0 BEAERN COC(=O)CCCCCNc1nccs1 ZINC000048322117 1169131630 /nfs/dbraw/zinc/13/16/30/1169131630.db2.gz MXHAYKXQXFFDRM-UHFFFAOYSA-N 0 0 228.317 2.288 10 0 BEAERN CC(C)[C@@H]([NH2+]CCCC1CCC1)C(=O)[O-] ZINC000688392533 954626056 /nfs/dbraw/zinc/62/60/56/954626056.db2.gz RPKYHUDJIVKHOD-LLVKDONJSA-N 0 0 213.321 2.266 10 0 BEAERN C[C@H]1CC[C@H]([NH2+]CCCCC(=O)[O-])CS1 ZINC000689527654 954661412 /nfs/dbraw/zinc/66/14/12/954661412.db2.gz UOIJCPFSRFVLJJ-UWVGGRQHSA-N 0 0 231.361 2.115 10 0 BEAERN O=C([O-])CCCC[NH2+][C@@H]1CCCSCC1 ZINC000692346260 954696790 /nfs/dbraw/zinc/69/67/90/954696790.db2.gz ISPPDFHWGXQDMV-SNVBAGLBSA-N 0 0 231.361 2.117 10 0 BEAERN C[N@H+](CCC(=O)[O-])CC1(c2ccccc2)CC1 ZINC000702658274 954905156 /nfs/dbraw/zinc/90/51/56/954905156.db2.gz BCMZTJCSOKFBRT-UHFFFAOYSA-N 0 0 233.311 2.125 10 0 BEAERN CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000710540440 955030017 /nfs/dbraw/zinc/03/00/17/955030017.db2.gz XWDYUNVRQKJVGG-GARJFASQSA-N 0 0 213.321 2.218 10 0 BEAERN C=C/C=C\CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000713705554 955098919 /nfs/dbraw/zinc/09/89/19/955098919.db2.gz ZBFHBFYFWJDAPX-ARJAWSKDSA-N 0 0 223.316 2.352 10 0 BEAERN CCOCCCOC(=O)/C=C\c1ncccc1C ZINC000588455193 958582845 /nfs/dbraw/zinc/58/28/45/958582845.db2.gz NELZPFYYTOBRAK-FPLPWBNLSA-N 0 0 249.310 2.373 10 0 BEAERN CO[C@@H](C)CCOC(=O)/C=C\c1ncccc1C ZINC000588456293 958588839 /nfs/dbraw/zinc/58/88/39/958588839.db2.gz FYZYOJNJSXJZTA-DGMVEKRQSA-N 0 0 249.310 2.371 10 0 BEAERN COC[C@H](C)COC(=O)/C=C\C(C)(C)C ZINC000588485388 958751442 /nfs/dbraw/zinc/75/14/42/958751442.db2.gz ZPBGBVGPJNWPFZ-GFVADAIESA-N 0 0 214.305 2.414 10 0 BEAERN C[C@@H]1OCC[C@H]1OC(=O)/C=C\c1cccs1 ZINC000588492802 958822736 /nfs/dbraw/zinc/82/27/36/958822736.db2.gz FSKFIDTXJSXVHZ-ZDTBXWBLSA-N 0 0 238.308 2.482 10 0 BEAERN CC1(C)CC[C@H](CNC(=O)/C=C\c2ccco2)O1 ZINC000588525920 958934794 /nfs/dbraw/zinc/93/47/94/958934794.db2.gz CBQFSSXEUSLTGH-FOQNGQEVSA-N 0 0 249.310 2.367 10 0 BEAERN C/C=C(\CC)C(=O)OCC[C@H](C)OC ZINC000588570038 959257702 /nfs/dbraw/zinc/25/77/02/959257702.db2.gz URYZQIDVWRRLSD-UMYFRRCYSA-N 0 0 200.278 2.311 10 0 BEAERN C/C=C(\CC)C(=O)OC[C@H](C)COC ZINC000588570243 959258650 /nfs/dbraw/zinc/25/86/50/959258650.db2.gz PREDLVMWRRRZHR-RAJVOEEQSA-N 0 0 200.278 2.168 10 0 BEAERN C/C=C(/CC)C(=O)N(C)c1cccnc1N(C)C ZINC000588572898 959276676 /nfs/dbraw/zinc/27/66/76/959276676.db2.gz KPKROIWIFLXNEB-WDZFZDKYSA-N 0 0 247.342 2.467 10 0 BEAERN CCn1cc(OC(=O)/C=C\C(C)(C)C)cn1 ZINC000588588306 959470390 /nfs/dbraw/zinc/47/03/90/959470390.db2.gz BKNNTJYPIWMXQM-SREVYHEPSA-N 0 0 222.288 2.411 10 0 BEAERN CC[C@@H](C)COC(=O)/C=C\c1ccncn1 ZINC000588444144 960055073 /nfs/dbraw/zinc/05/50/73/960055073.db2.gz WFVMIJJADRRTJS-UMCURTJPSA-N 0 0 220.272 2.079 10 0 BEAERN CC(=O)OCCCC(=O)c1ccccc1 ZINC000059076494 965916646 /nfs/dbraw/zinc/91/66/46/965916646.db2.gz AMWZAUGWOBHCTQ-UHFFFAOYSA-N 0 0 206.241 2.213 10 0 BEAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](C/C=C\Cl)C1 ZINC000213894540 967223414 /nfs/dbraw/zinc/22/34/14/967223414.db2.gz YGQNGZIWDGFOSG-VLWUPBBWSA-N 0 0 231.723 2.316 10 0 BEAERN CC(C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000694537622 968944510 /nfs/dbraw/zinc/94/45/10/968944510.db2.gz GAGMFTXMUZRSNU-NEPJUHHUSA-N 0 0 225.332 2.218 10 0 BEAERN C[C@H]([NH2+]CCCC(=O)[O-])c1ccc(Cl)cn1 ZINC000695212313 968957415 /nfs/dbraw/zinc/95/74/15/968957415.db2.gz HSGJERVHXZAGJC-QMMMGPOBSA-N 0 0 242.706 2.250 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000695962641 968960606 /nfs/dbraw/zinc/96/06/06/968960606.db2.gz UZKKKQCPWMTEIO-JLLWLGSASA-N 0 0 225.332 2.408 10 0 BEAERN O=C([O-])c1cccc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000697477735 968964497 /nfs/dbraw/zinc/96/44/97/968964497.db2.gz KZDALVJLFKWYSO-UHFFFAOYSA-N 0 0 241.237 2.272 10 0 BEAERN Cc1coc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000718084714 969099587 /nfs/dbraw/zinc/09/95/87/969099587.db2.gz BFUMEBKMMCXVLS-CMPLNLGQSA-N 0 0 237.299 2.131 10 0 BEAERN CC(C)CC[C@@H](C)[NH2+]C(C)(C)C(=O)[O-] ZINC000686000490 976098393 /nfs/dbraw/zinc/09/83/93/976098393.db2.gz XWYJXCHIXNJBLT-SECBINFHSA-N 0 0 201.310 2.264 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000689346867 976251492 /nfs/dbraw/zinc/25/14/92/976251492.db2.gz OQNMQGLKDXZFEQ-PSASIEDQSA-N 0 0 235.274 2.265 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689377171 976252965 /nfs/dbraw/zinc/25/29/65/976252965.db2.gz QROIQZOHWOCWHW-PFEDMVJOSA-N 0 0 229.295 2.089 10 0 BEAERN CC1(C)C[N@H+](CC2(CC(=O)[O-])CC2)C1(C)C ZINC000690257028 976283047 /nfs/dbraw/zinc/28/30/47/976283047.db2.gz FTIJWPUTIJPJNR-UHFFFAOYSA-N 0 0 225.332 2.362 10 0 BEAERN CCC1(C)CC[NH+](CC2(C(=O)[O-])CC2)CC1 ZINC000691635499 976379465 /nfs/dbraw/zinc/37/94/65/976379465.db2.gz UIOKDTJSPUCHGL-UHFFFAOYSA-N 0 0 225.332 2.363 10 0 BEAERN O=C([O-])[C@@H]1CCCCC[N@@H+]1CC1CC=CC1 ZINC000692042335 976397070 /nfs/dbraw/zinc/39/70/70/976397070.db2.gz BOFCDEGCJSWHBN-LBPRGKRZSA-N 0 0 223.316 2.282 10 0 BEAERN C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693043782 976578655 /nfs/dbraw/zinc/57/86/55/976578655.db2.gz AKBRTOQRKDLNEK-MLGHIDQZSA-N 0 0 237.343 2.218 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]C2(C3CCC3)CC2)nc1 ZINC000697419000 976843219 /nfs/dbraw/zinc/84/32/19/976843219.db2.gz ZXXYYZHAGLFWFC-UHFFFAOYSA-N 0 0 246.310 2.202 10 0 BEAERN CCC1C[NH+](Cc2ccsc2C(=O)[O-])C1 ZINC000697890462 976868216 /nfs/dbraw/zinc/86/82/16/976868216.db2.gz SJNCAHLKNSUANG-UHFFFAOYSA-N 0 0 225.313 2.288 10 0 BEAERN CC[N@H+](CC[C@@H]1CCCCO1)C(C)(C)C(=O)[O-] ZINC000699665088 976927289 /nfs/dbraw/zinc/92/72/89/976927289.db2.gz WNAYWLQSQJDPNX-NSHDSACASA-N 0 0 243.347 2.131 10 0 BEAERN Cc1oc(C[NH2+]C2(C)CC=CC2)cc1C(=O)[O-] ZINC000702142105 977066384 /nfs/dbraw/zinc/06/63/84/977066384.db2.gz SRBDYXSEMSNWFO-UHFFFAOYSA-N 0 0 235.283 2.485 10 0 BEAERN C[C@@H](F)CC[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000702570758 977091664 /nfs/dbraw/zinc/09/16/64/977091664.db2.gz VYJOCNNAFWLYLP-SSDOTTSWSA-N 0 0 231.292 2.284 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@H+]1CCCC[C@H](C)C1 ZINC000703658699 977173942 /nfs/dbraw/zinc/17/39/42/977173942.db2.gz LPXYUKGOQLKUPU-VUBLIPMDSA-N 0 0 211.305 2.139 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@H+]1CCCC[C@@H](C)C1 ZINC000703658698 977174449 /nfs/dbraw/zinc/17/44/49/977174449.db2.gz LPXYUKGOQLKUPU-UEUZTHOGSA-N 0 0 211.305 2.139 10 0 BEAERN C/C(=C\C[N@@H+]1C[C@@H]2CCCC[C@@]21C)C(=O)[O-] ZINC000706033453 977305840 /nfs/dbraw/zinc/30/58/40/977305840.db2.gz NVVPGPOGVFRUCX-JPQNCSDPSA-N 0 0 223.316 2.282 10 0 BEAERN CC[C@H]([NH2+]C[C@H]1CCCC12CC2)C(=O)[O-] ZINC000706207941 977309671 /nfs/dbraw/zinc/30/96/71/977309671.db2.gz PPOVXSBNAKTWBQ-ZJUUUORDSA-N 0 0 211.305 2.020 10 0 BEAERN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706323482 977313121 /nfs/dbraw/zinc/31/31/21/977313121.db2.gz CLFMPFDAGQQYOI-BDAKNGLRSA-N 0 0 235.274 2.217 10 0 BEAERN O=C([O-])c1ccc(F)c(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000707021642 977373523 /nfs/dbraw/zinc/37/35/23/977373523.db2.gz XHPSPUVEZISBAO-PELKAZGASA-N 0 0 235.258 2.118 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708821161 977444464 /nfs/dbraw/zinc/44/44/64/977444464.db2.gz DEHYNMNPXUDTLA-RYUDHWBXSA-N 0 0 225.332 2.362 10 0 BEAERN CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)C(=O)[O-] ZINC000709736476 977469047 /nfs/dbraw/zinc/46/90/47/977469047.db2.gz KRSMZNXVAJEBCI-VHSXEESVSA-N 0 0 243.347 2.033 10 0 BEAERN C[C@H]1C[N@H+](CC2(C)CCC2)C[C@]1(C)C(=O)[O-] ZINC000710163890 977488328 /nfs/dbraw/zinc/48/83/28/977488328.db2.gz KCYSPFSYTTWXHQ-GWCFXTLKSA-N 0 0 225.332 2.219 10 0 BEAERN CC[C@](C)([NH2+]C[C@@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381820 977634308 /nfs/dbraw/zinc/63/43/08/977634308.db2.gz OKRHOJAJTIJLDB-GWCFXTLKSA-N 0 0 243.347 2.035 10 0 BEAERN O=C([O-])[C@H]1[C@H](C[NH2+]CCC2CCCC2)C1(F)F ZINC000715251058 977707736 /nfs/dbraw/zinc/70/77/36/977707736.db2.gz YSUBLNFZGKJUOL-VHSXEESVSA-N 0 0 247.285 2.122 10 0 BEAERN O=C([O-])[C@@H]1[C@H](C[NH2+]CCCCC2CC2)C1(F)F ZINC000715308880 977737242 /nfs/dbraw/zinc/73/72/42/977737242.db2.gz SWANQUILOORIFX-UWVGGRQHSA-N 0 0 247.285 2.122 10 0 BEAERN O=C([O-])[C@H]1[C@H](C[NH2+]CCCCC2CC2)C1(F)F ZINC000715328375 977743695 /nfs/dbraw/zinc/74/36/95/977743695.db2.gz SWANQUILOORIFX-VHSXEESVSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000716461604 977842317 /nfs/dbraw/zinc/84/23/17/977842317.db2.gz JVAUUSXSLCWOCI-PSJXJDHFSA-N 0 0 249.310 2.360 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000716461600 977842408 /nfs/dbraw/zinc/84/24/08/977842408.db2.gz JVAUUSXSLCWOCI-FIDNZITISA-N 0 0 249.310 2.360 10 0 BEAERN CC(C)(C)[C@H]([NH2+]CC1CC=CC1)C(=O)[O-] ZINC000717334887 977894656 /nfs/dbraw/zinc/89/46/56/977894656.db2.gz HYWHFNJZRKMOEA-SNVBAGLBSA-N 0 0 211.305 2.042 10 0 BEAERN C[N@H+](CCCC(C)(F)F)C(C)(C)C(=O)[O-] ZINC000718617158 977974541 /nfs/dbraw/zinc/97/45/41/977974541.db2.gz SJQYXFMCDDQJMS-UHFFFAOYSA-N 0 0 223.263 2.217 10 0 BEAERN C[C@H]1CC[N@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721583592 978119612 /nfs/dbraw/zinc/11/96/12/978119612.db2.gz GEKXDHUMMPEVFJ-UWVGGRQHSA-N 0 0 234.299 2.010 10 0 BEAERN CC[C@@H]1C[C@H]1C[N@H+](CC)C(C)(C)C(=O)[O-] ZINC000723072707 978172332 /nfs/dbraw/zinc/17/23/32/978172332.db2.gz VANZKISWJRJKOR-ZJUUUORDSA-N 0 0 213.321 2.218 10 0 BEAERN CC[C@@H]1C[C@H]1C[NH2+]C(CC)(CC)C(=O)[O-] ZINC000723072911 978171979 /nfs/dbraw/zinc/17/19/79/978171979.db2.gz WEOKKFWWXWZMFX-ZJUUUORDSA-N 0 0 213.321 2.266 10 0 BEAERN CN(CC1CC1)C(=O)c1cc(F)c(F)cc1N ZINC000050017010 984195611 /nfs/dbraw/zinc/19/56/11/984195611.db2.gz QAHLLGKCKYFIJT-UHFFFAOYSA-N 0 0 240.253 2.029 10 0 BEAERN C/C=C\C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000211201704 990808856 /nfs/dbraw/zinc/80/88/56/990808856.db2.gz JCXOMUYAXFEPTA-GBHJXGPPSA-N 0 0 201.269 2.235 10 0 BEAERN COC(=O)[C@@H](CC(C)C)NC1CCCC1 ZINC000036980314 1170923412 /nfs/dbraw/zinc/92/34/12/1170923412.db2.gz LBBJARMYZPFAHO-LLVKDONJSA-N 0 0 213.321 2.106 10 0 BEAERN COC(=O)[C@@H](CC(C)C)N[C@H](C)C1(C)CC1 ZINC000037508293 1170953915 /nfs/dbraw/zinc/95/39/15/1170953915.db2.gz ITYXJLXUWUHNOM-GHMZBOCLSA-N 0 0 227.348 2.352 10 0 BEAERN Nc1ccnc(C(=O)Nc2cc(F)cc(F)c2)c1 ZINC000050699754 1171827194 /nfs/dbraw/zinc/82/71/94/1171827194.db2.gz AACCYJBBKISVMS-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CNc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000050728852 1171833181 /nfs/dbraw/zinc/83/31/81/1171833181.db2.gz XQQXXZWOODIBCC-ZYHUDNBSSA-N 0 0 247.342 2.432 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)cc1N ZINC000052268184 1171953641 /nfs/dbraw/zinc/95/36/41/1171953641.db2.gz LFMZPZFVADHOKJ-LHLIQPBNSA-N 0 0 224.691 2.060 10 0 BEAERN Cc1cc(C)cc(Oc2cnc(=O)[nH]c2)c1 ZINC000025982117 177915037 /nfs/dbraw/zinc/91/50/37/177915037.db2.gz YLSFBDDJBQFMLA-UHFFFAOYSA-N 0 0 216.240 2.179 10 0 BEAERN CNCC(F)(F)CO[C@H]1CC[C@H](C)C1 ZINC000685956431 538902959 /nfs/dbraw/zinc/90/29/59/538902959.db2.gz DLQLIZDVAWPLLJ-IUCAKERBSA-N 0 0 207.264 2.046 10 0 BEAERN CO[C@H](C)[C@@H]1[C@@H](C)C(=O)NC12CCCCC2 ZINC000685958263 538905296 /nfs/dbraw/zinc/90/52/96/538905296.db2.gz BUIDVBLSUOOWQY-MXWKQRLJSA-N 0 0 225.332 2.106 10 0 BEAERN CCC(C)(CC)NC(=O)c1cn(C)nc1C ZINC000113056740 168310714 /nfs/dbraw/zinc/31/07/14/168310714.db2.gz VPCPBJZQOHYRIM-UHFFFAOYSA-N 0 0 223.320 2.037 10 0 BEAERN CO[C@@H](C)[C@]1(C)CC(=O)NC12CCCCC2 ZINC000685958575 538906008 /nfs/dbraw/zinc/90/60/08/538906008.db2.gz AGCDHQJWKHZYNX-JQWIXIFHSA-N 0 0 225.332 2.250 10 0 BEAERN COC[C@]1(C)[C@H](C)C(=O)NC12CCCCC2 ZINC000685958461 538906024 /nfs/dbraw/zinc/90/60/24/538906024.db2.gz QEVVZFMJSXKVDU-ZYHUDNBSSA-N 0 0 225.332 2.108 10 0 BEAERN CC(=O)c1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685958719 538906408 /nfs/dbraw/zinc/90/64/08/538906408.db2.gz FHAMVLUPYBSWFR-UHFFFAOYSA-N 0 0 227.478 2.439 10 0 BEAERN CC[C@@H](C)[C@@]1(C)CC(=O)NC12CCOCC2 ZINC000685958799 538906450 /nfs/dbraw/zinc/90/64/50/538906450.db2.gz GQWHEQICPPLOMF-ZYHUDNBSSA-N 0 0 225.332 2.108 10 0 BEAERN CC(C)(C)C[C@H]1CC(=O)NC12CCOCC2 ZINC000685958727 538906573 /nfs/dbraw/zinc/90/65/73/538906573.db2.gz FLQXSZZEIPSOOX-SNVBAGLBSA-N 0 0 225.332 2.108 10 0 BEAERN CC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685959553 538906934 /nfs/dbraw/zinc/90/69/34/538906934.db2.gz ZOFNUUKKQYZJPC-ZANVPECISA-N 0 0 241.331 2.469 10 0 BEAERN O=C1C[C@H]([C@@H]2CCCO2)C2(CCCCC2)N1 ZINC000685959906 538906972 /nfs/dbraw/zinc/90/69/72/538906972.db2.gz VHHKPQDGBZSNKG-MNOVXSKESA-N 0 0 223.316 2.004 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000685963577 538910567 /nfs/dbraw/zinc/91/05/67/538910567.db2.gz SVWGGLSDQZBBHO-HJIKLVIJSA-N 0 0 220.316 2.012 10 0 BEAERN CCC[C@@]1(C)[C@@H](C)C(=O)NC12CCOCC2 ZINC000685960082 538907181 /nfs/dbraw/zinc/90/71/81/538907181.db2.gz YZEODPYHLKXLBD-JQWIXIFHSA-N 0 0 225.332 2.108 10 0 BEAERN Cc1cccc2c1N[C@@H](C(C)C)[C@H](O)C2 ZINC000685963263 538908671 /nfs/dbraw/zinc/90/86/71/538908671.db2.gz KMUTXSAORUBNSU-NEPJUHHUSA-N 0 0 205.301 2.349 10 0 BEAERN CCC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961783 538908697 /nfs/dbraw/zinc/90/86/97/538908697.db2.gz OEOVKULEEQYUDF-RKDXNWHRSA-N 0 0 227.304 2.126 10 0 BEAERN CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000685962083 538908952 /nfs/dbraw/zinc/90/89/52/538908952.db2.gz TVNTWCAREDRINF-MRVPVSSYSA-N 0 0 249.257 2.078 10 0 BEAERN C[C@@H]1C[C@@H]1CC(=O)CNC(=O)OC(C)(C)C ZINC000685962466 538909238 /nfs/dbraw/zinc/90/92/38/538909238.db2.gz JCGPPGPFXOWMDB-RKDXNWHRSA-N 0 0 227.304 2.126 10 0 BEAERN C[C@H]1C[C@@H]1CC(=O)CNC(=O)OC(C)(C)C ZINC000685962464 538909256 /nfs/dbraw/zinc/90/92/56/538909256.db2.gz JCGPPGPFXOWMDB-DTWKUNHWSA-N 0 0 227.304 2.126 10 0 BEAERN CC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685962884 538909562 /nfs/dbraw/zinc/90/95/62/538909562.db2.gz YPQNRSNEVYNHOE-GXSJLCMTSA-N 0 0 241.331 2.469 10 0 BEAERN COc1cccc2c1N[C@@H](C(C)C)[C@H](O)C2 ZINC000685962986 538909737 /nfs/dbraw/zinc/90/97/37/538909737.db2.gz CQXOVUCLLVOGGL-PWSUYJOCSA-N 0 0 221.300 2.049 10 0 BEAERN COC(=O)c1cc2cc(F)ccc2nc1C ZINC000072417033 398137958 /nfs/dbraw/zinc/13/79/58/398137958.db2.gz HNTRAHWWVBIIKP-UHFFFAOYSA-N 0 0 219.215 2.469 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@@H](C(F)(F)F)N2 ZINC000685963002 538909888 /nfs/dbraw/zinc/90/98/88/538909888.db2.gz CWNCQUUVODCCFR-ZJUUUORDSA-N 0 0 231.217 2.255 10 0 BEAERN CCc1cccc2c1N[C@@H](C(F)F)[C@H](O)C2 ZINC000685963223 538910079 /nfs/dbraw/zinc/91/00/79/538910079.db2.gz JRRYATKRYIIKBP-MWLCHTKSSA-N 0 0 227.254 2.212 10 0 BEAERN CC(C)(C)[C@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000685963508 538910140 /nfs/dbraw/zinc/91/01/40/538910140.db2.gz QSXQWTJVXWMOCP-RYUDHWBXSA-N 0 0 220.316 2.012 10 0 BEAERN CCC[C@@H]1Nc2cccc(OC)c2C[C@H]1O ZINC000685963103 538910282 /nfs/dbraw/zinc/91/02/82/538910282.db2.gz GKUVLXOLCIFGSL-NWDGAFQWSA-N 0 0 221.300 2.193 10 0 BEAERN CCCn1nc2c(c1N)C[C@@H](CC)CC2 ZINC000685952479 538896301 /nfs/dbraw/zinc/89/63/01/538896301.db2.gz MPJDOMXTSAFCBB-VIFPVBQESA-N 0 0 207.321 2.390 10 0 BEAERN Nc1cccc(-c2cncc3c[nH]nc32)c1 ZINC000685952402 538896439 /nfs/dbraw/zinc/89/64/39/538896439.db2.gz JOEJEHDRUHEZLW-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN Fc1ccc(-c2n[nH]c3c2CCCC3)cn1 ZINC000685952707 538896889 /nfs/dbraw/zinc/89/68/89/538896889.db2.gz PFXNJENAFAYPCJ-UHFFFAOYSA-N 0 0 217.247 2.490 10 0 BEAERN Cc1cccc2c1N[C@@H](C1CC1)[C@H](O)C2 ZINC000685963908 538910875 /nfs/dbraw/zinc/91/08/75/538910875.db2.gz ZIKKYFFZVONQBO-YPMHNXCESA-N 0 0 203.285 2.103 10 0 BEAERN Cc1cc(C)nc(N[C@H]2CCC[C@]2(C)CO)n1 ZINC000301442362 177947091 /nfs/dbraw/zinc/94/70/91/177947091.db2.gz JACDVDDTONCGTL-WCQYABFASA-N 0 0 235.331 2.056 10 0 BEAERN C[C@@H]1SCC[C@]1(O)CC1CCOCC1 ZINC000235400545 343977497 /nfs/dbraw/zinc/97/74/97/343977497.db2.gz SLOLMNDTQMITFG-ONGXEEELSA-N 0 0 216.346 2.060 10 0 BEAERN CC(=O)N1CC[C@H](n2cccn2)c2ccccc21 ZINC000616587742 349452706 /nfs/dbraw/zinc/45/27/06/349452706.db2.gz GBHLKJXQLKUODH-AWEZNQCLSA-N 0 0 241.294 2.229 10 0 BEAERN NC(=O)N1CC[C@H](c2ccc3ccncc3c2)C1 ZINC000616611747 349460439 /nfs/dbraw/zinc/46/04/39/349460439.db2.gz RKQBIAKUSLXHKF-LBPRGKRZSA-N 0 0 241.294 2.103 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000161640497 538917066 /nfs/dbraw/zinc/91/70/66/538917066.db2.gz GVOVGQYXCSKAQT-QWRGUYRKSA-N 0 0 227.348 2.210 10 0 BEAERN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000161624489 538917114 /nfs/dbraw/zinc/91/71/14/538917114.db2.gz XAWSPQPYOCHXQJ-GHMZBOCLSA-N 0 0 249.314 2.031 10 0 BEAERN CNc1ccccc1[C@@H]1CCN(C(=O)OC)C1 ZINC000616612153 349479941 /nfs/dbraw/zinc/47/99/41/349479941.db2.gz SOHBMIURWZTJMY-SNVBAGLBSA-N 0 0 234.299 2.284 10 0 BEAERN CC(C)n1cc(O[C@H]2CCCC[C@@H]2O)cn1 ZINC000162030734 538920478 /nfs/dbraw/zinc/92/04/78/538920478.db2.gz GMDVUDHSDAQCSU-RYUDHWBXSA-N 0 0 224.304 2.146 10 0 BEAERN N[C@H](Cc1c(F)cccc1F)C(F)F ZINC000236324376 398151158 /nfs/dbraw/zinc/15/11/58/398151158.db2.gz KSSMEVOPILENEH-MRVPVSSYSA-N 0 0 207.170 2.100 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2ccccc2N)C1 ZINC000616612278 349508966 /nfs/dbraw/zinc/50/89/66/349508966.db2.gz ATJDFDZVDCEKNA-SNVBAGLBSA-N 0 0 234.299 2.215 10 0 BEAERN Cc1cc(CNC(=O)N[C@H]2C[C@@H]2C)ccc1F ZINC000170808997 178013753 /nfs/dbraw/zinc/01/37/53/178013753.db2.gz KFOKKUOIAPNHRY-CABZTGNLSA-N 0 0 236.290 2.342 10 0 BEAERN Cc1cc(C[NH2+]CCC(=O)[O-])c(C)n1C1CC1 ZINC000107290756 178020622 /nfs/dbraw/zinc/02/06/22/178020622.db2.gz BXMXTHDNGQYATI-UHFFFAOYSA-N 0 0 236.315 2.004 10 0 BEAERN Cc1cc(CNc2cc(N)cc(F)c2)no1 ZINC000044690965 178041812 /nfs/dbraw/zinc/04/18/12/178041812.db2.gz DZAIHKNUPOOHOR-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2ccc(N)c(C)c2)no1 ZINC000044690821 178042591 /nfs/dbraw/zinc/04/25/91/178042591.db2.gz XLZRLLQBBUWMDB-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2ncccc2C)on1 ZINC000051041186 178044676 /nfs/dbraw/zinc/04/46/76/178044676.db2.gz SIVKZCQORFDSDB-UHFFFAOYSA-N 0 0 203.245 2.299 10 0 BEAERN CNc1nc2sc(C)cc2c(NC)n1 ZINC000234538249 398177653 /nfs/dbraw/zinc/17/76/53/398177653.db2.gz SJUKSLOBXDJFPT-UHFFFAOYSA-N 0 0 208.290 2.083 10 0 BEAERN Cc1cc(COc2cccc(N)c2)on1 ZINC000038055315 178048668 /nfs/dbraw/zinc/04/86/68/178048668.db2.gz IOEWXNLRMFETSI-UHFFFAOYSA-N 0 0 204.229 2.144 10 0 BEAERN CCC(CC)C(=O)NC1(C(N)=S)CCCC1 ZINC000040354341 168336813 /nfs/dbraw/zinc/33/68/13/168336813.db2.gz CJFJKZMRSRYLQA-UHFFFAOYSA-N 0 0 242.388 2.138 10 0 BEAERN Brc1cnn2c1NCC[C@@H]2C1CC1 ZINC000232457321 398181191 /nfs/dbraw/zinc/18/11/91/398181191.db2.gz YODKMRQZCHKUCG-MRVPVSSYSA-N 0 0 242.120 2.412 10 0 BEAERN O[C@@H](Cc1nccs1)[C@@H]1CCCSC1 ZINC000307400502 398160747 /nfs/dbraw/zinc/16/07/47/398160747.db2.gz AGBVUHFYMRQEDE-BDAKNGLRSA-N 0 0 229.370 2.190 10 0 BEAERN Cc1cc(Cl)cc2c1O[C@H](C)C(=O)N2 ZINC000062525389 178065505 /nfs/dbraw/zinc/06/55/05/178065505.db2.gz OBJDYNSSYXLPQP-ZCFIWIBFSA-N 0 0 211.648 2.368 10 0 BEAERN Cc1cc(Cl)ccc1O[C@@H](C)CO ZINC000041210499 178069829 /nfs/dbraw/zinc/06/98/29/178069829.db2.gz WTUCFSCITKWDTP-QMMMGPOBSA-N 0 0 200.665 2.408 10 0 BEAERN Cc1cc(Cl)nc([C@@H]2CCCOC2)n1 ZINC000082580549 178072649 /nfs/dbraw/zinc/07/26/49/178072649.db2.gz MGYKBBLANQYASV-MRVPVSSYSA-N 0 0 212.680 2.332 10 0 BEAERN Cc1cnn(Cc2ccc(F)c(C)c2)c1N ZINC000050545770 178074751 /nfs/dbraw/zinc/07/47/51/178074751.db2.gz PQPWSMZNKRRLRI-UHFFFAOYSA-N 0 0 219.263 2.270 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H]1C ZINC000135574268 178083867 /nfs/dbraw/zinc/08/38/67/178083867.db2.gz GJIIMRHLPZCKFO-CABZTGNLSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1cccc(-c2ncc(C)[nH]c2=O)c1 ZINC000536960056 398199470 /nfs/dbraw/zinc/19/94/70/398199470.db2.gz MVQMJJZQPQXSQV-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN Cc1cc(F)ccc1NCc1nccn1C ZINC000036804685 178090265 /nfs/dbraw/zinc/09/02/65/178090265.db2.gz ZZBKZVJELWUNMP-UHFFFAOYSA-N 0 0 219.263 2.480 10 0 BEAERN Cc1cc(F)ccc1N[C@H]1CCCCNC1=O ZINC000020054550 178090787 /nfs/dbraw/zinc/09/07/87/178090787.db2.gz UTGXVKZPELCPHD-LBPRGKRZSA-N 0 0 236.290 2.215 10 0 BEAERN Cc1cc(F)ccc1N[C@@H](C)C(=O)NC1CC1 ZINC000020301543 178090937 /nfs/dbraw/zinc/09/09/37/178090937.db2.gz CUOTXCIOEIDAHB-VIFPVBQESA-N 0 0 236.290 2.213 10 0 BEAERN Cc1cc(F)ccc1[C@@H]([NH2+]C1CC1)C(=O)[O-] ZINC000050579823 178092471 /nfs/dbraw/zinc/09/24/71/178092471.db2.gz FIORHCHNUIDSFL-LLVKDONJSA-N 0 0 223.247 2.012 10 0 BEAERN Cc1cccc(CNC(=O)C(C2CC2)C2CC2)n1 ZINC000119256754 398192809 /nfs/dbraw/zinc/19/28/09/398192809.db2.gz OJWQBWRKNKXFPW-UHFFFAOYSA-N 0 0 244.338 2.442 10 0 BEAERN Cc1cc(N(C)CCO)ccc1Br ZINC000049831655 178099540 /nfs/dbraw/zinc/09/95/40/178099540.db2.gz FQJVLMFNLXEDRI-UHFFFAOYSA-N 0 0 244.132 2.186 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2cccc(C)c2)C1=O ZINC000536961085 398199975 /nfs/dbraw/zinc/19/99/75/398199975.db2.gz WYVBUUOVVIUHCK-ZDUSSCGKSA-N 0 0 231.295 2.327 10 0 BEAERN Cc1cc(N)c(NC(=O)NC2CC2)cc1C ZINC000054456849 178103911 /nfs/dbraw/zinc/10/39/11/178103911.db2.gz DZERDOLJFZEEER-UHFFFAOYSA-N 0 0 219.288 2.170 10 0 BEAERN Cc1cc(N)ccc1NC(=O)COCC(C)C ZINC000019398705 178105757 /nfs/dbraw/zinc/10/57/57/178105757.db2.gz WWNVSELHQJNQQA-UHFFFAOYSA-N 0 0 236.315 2.188 10 0 BEAERN Cc1cc(N)ccc1C(=O)Nc1nccs1 ZINC000044748005 178105980 /nfs/dbraw/zinc/10/59/80/178105980.db2.gz WCOHFLWRVLNSIT-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1cc(N)ccc1SCCC(=O)N(C)C ZINC000037898069 178106357 /nfs/dbraw/zinc/10/63/57/178106357.db2.gz RRAXWOKBZQJLDP-UHFFFAOYSA-N 0 0 238.356 2.148 10 0 BEAERN Cc1cc(N)ccc1N[C@H]1CCCC[C@@H]1O ZINC000051998562 178107018 /nfs/dbraw/zinc/10/70/18/178107018.db2.gz HRHCTZKWWPUHPD-STQMWFEESA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(N)ccc1Oc1cnccn1 ZINC000039118784 178107281 /nfs/dbraw/zinc/10/72/81/178107281.db2.gz MPOWTSRUNYPBIQ-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN [NH3+]C[C@H](c1cccc(F)c1)C1(C(=O)[O-])CCC1 ZINC000536954464 398197895 /nfs/dbraw/zinc/19/78/95/398197895.db2.gz PURLBGHDCQVUCQ-LLVKDONJSA-N 0 0 237.274 2.123 10 0 BEAERN CCCC[C@@H]1COC[C@@H](C)[C@H]1OC(C)=O ZINC000256012204 398197918 /nfs/dbraw/zinc/19/79/18/398197918.db2.gz XWNKVSFNBVIKJB-YUSALJHKSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1cc(N)sc1-c1nncn1C(C)C ZINC000104925442 178111030 /nfs/dbraw/zinc/11/10/30/178111030.db2.gz PQOMCKQQASWQDI-UHFFFAOYSA-N 0 0 222.317 2.478 10 0 BEAERN Cc1cc(N2C(=O)c3ccccc3C2=O)ccn1 ZINC000096675234 178111630 /nfs/dbraw/zinc/11/16/30/178111630.db2.gz YWPVBMNGMUCLLI-UHFFFAOYSA-N 0 0 238.246 2.191 10 0 BEAERN CC(F)(F)C(=O)c1ccc2c(c1)OCC2 ZINC000306465236 398201530 /nfs/dbraw/zinc/20/15/30/398201530.db2.gz AZZNKXYTDLIRFF-UHFFFAOYSA-N 0 0 212.195 2.459 10 0 BEAERN CCC(CC)CC(=O)N(C)C[C@@H]1CCCO1 ZINC000127789923 168342766 /nfs/dbraw/zinc/34/27/66/168342766.db2.gz PVFRCIDQNRAVJO-LBPRGKRZSA-N 0 0 227.348 2.450 10 0 BEAERN Cc1nc(Br)cc(C2CC2)n1 ZINC000162614734 538923984 /nfs/dbraw/zinc/92/39/84/538923984.db2.gz LHHWCNZVXRBSTK-UHFFFAOYSA-N 0 0 213.078 2.425 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000380355676 343982836 /nfs/dbraw/zinc/98/28/36/343982836.db2.gz WSRMPICOJQOLKA-RQJHMYQMSA-N 0 0 228.273 2.246 10 0 BEAERN COC[C@H](C)C(=O)N1c2ccccc2OC[C@@H]1C ZINC000175373125 365548353 /nfs/dbraw/zinc/54/83/53/365548353.db2.gz MQEDAXKZUCJZGB-QWRGUYRKSA-N 0 0 249.310 2.083 10 0 BEAERN O=C1Cc2cccc(OC(F)(F)F)c21 ZINC000261507958 398208926 /nfs/dbraw/zinc/20/89/26/398208926.db2.gz OGYJQJJCWRUPKS-UHFFFAOYSA-N 0 0 202.131 2.324 10 0 BEAERN O=C(c1ccc2nsnc2c1)C(F)(F)F ZINC000261508983 398209043 /nfs/dbraw/zinc/20/90/43/398209043.db2.gz YUXRGQMSHQNBME-UHFFFAOYSA-N 0 0 232.186 2.436 10 0 BEAERN Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCCO2)ccn1 ZINC000119558574 178140766 /nfs/dbraw/zinc/14/07/66/178140766.db2.gz PJKITKHNVULNRG-CMPLNLGQSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)n[nH]1 ZINC000049399790 178145680 /nfs/dbraw/zinc/14/56/80/178145680.db2.gz JXIAJCFKNASSEL-DTWKUNHWSA-N 0 0 231.255 2.053 10 0 BEAERN Cc1cc(NC(=O)c2ccc(N)c(C)c2)no1 ZINC000022144239 178150159 /nfs/dbraw/zinc/15/01/59/178150159.db2.gz ZOWCGEIEADBGRU-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN COc1ncc(CNc2cnccc2C)s1 ZINC000381060412 398219365 /nfs/dbraw/zinc/21/93/65/398219365.db2.gz KWJNDYNRRFAMAP-UHFFFAOYSA-N 0 0 235.312 2.467 10 0 BEAERN CCOc1cccc(NCc2cnn(C)c2C)n1 ZINC000163334613 538928140 /nfs/dbraw/zinc/92/81/40/538928140.db2.gz IVCICNXNLRCABI-UHFFFAOYSA-N 0 0 246.314 2.134 10 0 BEAERN Cc1cnn(C)c1/C=C/Br ZINC000606275723 538930002 /nfs/dbraw/zinc/93/00/02/538930002.db2.gz JPYRWAJQORPMEP-ONEGZZNKSA-N 0 0 201.067 2.094 10 0 BEAERN OC1(C(F)(F)F)CCC(F)(F)CC1 ZINC000606278693 538930051 /nfs/dbraw/zinc/93/00/51/538930051.db2.gz BIMXELWCTXCTQH-UHFFFAOYSA-N 0 0 204.138 2.489 10 0 BEAERN CCn1cc(/C=C/Br)cn1 ZINC000606275650 538930087 /nfs/dbraw/zinc/93/00/87/538930087.db2.gz GVIAKXKVMAUUMU-ONEGZZNKSA-N 0 0 201.067 2.269 10 0 BEAERN Cc1cc(NCc2ccccc2F)nn1C ZINC000020350323 178173861 /nfs/dbraw/zinc/17/38/61/178173861.db2.gz ZLSXHLQCNLGLIR-UHFFFAOYSA-N 0 0 219.263 2.480 10 0 BEAERN Cc1cc(NCc2ccncc2)nc(Cl)n1 ZINC000052814292 178175037 /nfs/dbraw/zinc/17/50/37/178175037.db2.gz ZRFZDERUPMUVST-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN CC(C)=CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160634298 136222163 /nfs/dbraw/zinc/22/21/63/136222163.db2.gz LCYSTJPSDCSDAN-GXTWGEPZSA-N 0 0 237.343 2.106 10 0 BEAERN Nc1cnc2cnn(-c3ccccc3)c2c1 ZINC000075619357 398224034 /nfs/dbraw/zinc/22/40/34/398224034.db2.gz DQQMIJXWTFKJAL-UHFFFAOYSA-N 0 0 210.240 2.003 10 0 BEAERN CCSc1ccc(C(=O)N[C@H]2C[C@@H]2C)cn1 ZINC000075693136 398226212 /nfs/dbraw/zinc/22/62/12/398226212.db2.gz AFJIVFAWDLSVCP-WPRPVWTQSA-N 0 0 236.340 2.332 10 0 BEAERN Cc1nn([C@@H]2CCCC[C@H]2O)cc1Cl ZINC000070704041 361742338 /nfs/dbraw/zinc/74/23/38/361742338.db2.gz HBOLOLXNJNVLJE-NXEZZACHSA-N 0 0 214.696 2.321 10 0 BEAERN CC(C)(C)OCCOc1ccc(C=O)o1 ZINC000164345781 538932705 /nfs/dbraw/zinc/93/27/05/538932705.db2.gz ATRIADYXPUDDKF-UHFFFAOYSA-N 0 0 212.245 2.286 10 0 BEAERN Cc1cc(Oc2ccc(N)c(C)c2)ncn1 ZINC000040727470 178214006 /nfs/dbraw/zinc/21/40/06/178214006.db2.gz FSDZJJUJZFDLGW-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN CC(C)C1N=NC(=S)N1CC(F)(F)F ZINC000020589929 538932247 /nfs/dbraw/zinc/93/22/47/538932247.db2.gz POSOMESPTQJIEW-UHFFFAOYSA-N 0 0 225.239 2.253 10 0 BEAERN COC(=O)c1c(F)ccc2cccnc21 ZINC000075852232 398228828 /nfs/dbraw/zinc/22/88/28/398228828.db2.gz BZHWTNUDKQFEGA-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN Cc1cc(OCCCn2ccnc2)ccc1N ZINC000049326926 178211040 /nfs/dbraw/zinc/21/10/40/178211040.db2.gz SMWXRHGEALEJGG-UHFFFAOYSA-N 0 0 231.299 2.243 10 0 BEAERN Cc1cc(OCc2ccn(C)n2)ccc1F ZINC000212033903 178213249 /nfs/dbraw/zinc/21/32/49/178213249.db2.gz ALWNEXPQWLCKHE-UHFFFAOYSA-N 0 0 220.247 2.447 10 0 BEAERN Cc1cc2ncnn2c(Oc2ccccc2N)c1 ZINC000038056610 178215619 /nfs/dbraw/zinc/21/56/19/178215619.db2.gz QJPKLNALUYBEPM-UHFFFAOYSA-N 0 0 240.266 2.412 10 0 BEAERN Cc1cc(Oc2ccncn2)ccc1N ZINC000040863400 178216029 /nfs/dbraw/zinc/21/60/29/178216029.db2.gz MBHPWVYRTXQTOC-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1cc(SCc2ccccc2)[nH]c(=O)n1 ZINC000008666488 178217820 /nfs/dbraw/zinc/21/78/20/178217820.db2.gz WAPMXBDMGKIZGM-UHFFFAOYSA-N 0 0 232.308 2.371 10 0 BEAERN Cc1cc(SCc2cc(N)ccc2O)n(C)n1 ZINC000052308630 178218512 /nfs/dbraw/zinc/21/85/12/178218512.db2.gz LOUJXLQMAYLIAS-UHFFFAOYSA-N 0 0 249.339 2.309 10 0 BEAERN C=Cc1nc(-c2ccncc2Cl)no1 ZINC000306642683 361772980 /nfs/dbraw/zinc/77/29/80/361772980.db2.gz UKDLJWRJIRBGJR-UHFFFAOYSA-N 0 0 207.620 2.428 10 0 BEAERN C[C@H]1CCC[C@@H]1NC1N=NC(=S)S1 ZINC000070833343 361777762 /nfs/dbraw/zinc/77/77/62/361777762.db2.gz HNGZTDDRSZZEQI-WDSKDSINSA-N 0 0 215.347 2.427 10 0 BEAERN Cc1cc([C@@H](C)NCc2nccn2C)c(C)o1 ZINC000044730517 178229686 /nfs/dbraw/zinc/22/96/86/178229686.db2.gz KLPBELPBQCYKGR-SNVBAGLBSA-N 0 0 233.315 2.481 10 0 BEAERN Cc1cc([C@@H]2NC(=O)[C@H]3CCCCN32)ccc1F ZINC000078758831 178243173 /nfs/dbraw/zinc/24/31/73/178243173.db2.gz SFIBQNFYUCJNRB-CHWSQXEVSA-N 0 0 248.301 2.117 10 0 BEAERN Cc1cc([C@H](C)NCc2nccn2C)c(C)o1 ZINC000044730518 178251842 /nfs/dbraw/zinc/25/18/42/178251842.db2.gz KLPBELPBQCYKGR-JTQLQIEISA-N 0 0 233.315 2.481 10 0 BEAERN Cc1cc([C@H]([NH3+])CCCC(=O)[O-])ccc1F ZINC000075455265 178262504 /nfs/dbraw/zinc/26/25/04/178262504.db2.gz JLQPFMNZJOZLIR-LLVKDONJSA-N 0 0 225.263 2.389 10 0 BEAERN Cc1cc([C@H]([NH3+])CC(=O)[O-])c2ccccc2n1 ZINC000083327206 178263025 /nfs/dbraw/zinc/26/30/25/178263025.db2.gz ZBCWAPMQZZNSPI-LLVKDONJSA-N 0 0 230.267 2.018 10 0 BEAERN Cc1cc([C@H]([NH2+]CC2CC2)C(=O)[O-])cc(C)c1O ZINC000037967510 178263171 /nfs/dbraw/zinc/26/31/71/178263171.db2.gz SDHMVYTZHLGGIP-LBPRGKRZSA-N 0 0 249.310 2.134 10 0 BEAERN Cc1cc([C@H](N)c2cscn2)c(C)o1 ZINC000062356835 178263196 /nfs/dbraw/zinc/26/31/96/178263196.db2.gz PQRFHZVIUOCFOU-JTQLQIEISA-N 0 0 208.286 2.401 10 0 BEAERN Cc1cc([C@H](O)C2CCCCC2)nn1C ZINC000300840492 178264043 /nfs/dbraw/zinc/26/40/43/178264043.db2.gz GNNATIGXOPMSMX-GFCCVEGCSA-N 0 0 208.305 2.342 10 0 BEAERN Cc1cc2c([nH]c(C(C)C)nc2=O)s1 ZINC000041580474 178277031 /nfs/dbraw/zinc/27/70/31/178277031.db2.gz DUUUIIYELXOWHH-UHFFFAOYSA-N 0 0 208.286 2.416 10 0 BEAERN CC[C@@H](CC(=O)OC)c1cccc(N)c1 ZINC000076500078 398241923 /nfs/dbraw/zinc/24/19/23/398241923.db2.gz LGVXYEBYELCKJP-VIFPVBQESA-N 0 0 207.273 2.326 10 0 BEAERN Cc1cc2c(cc1NC(=O)N[C@H]1C[C@H]1C)OCO2 ZINC000183777981 178290583 /nfs/dbraw/zinc/29/05/83/178290583.db2.gz BIAAXZGTPRICQZ-APPZFPTMSA-N 0 0 248.282 2.254 10 0 BEAERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1C[C@@H]1C)C2 ZINC000079961949 178285728 /nfs/dbraw/zinc/28/57/28/178285728.db2.gz SHGBFYRBIWIHQO-JKOKRWQUSA-N 0 0 245.322 2.132 10 0 BEAERN CCC[C@H](CC)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000250154223 259308063 /nfs/dbraw/zinc/30/80/63/259308063.db2.gz MMPSIFZKGYXZHH-GRYCIOLGSA-N 0 0 242.363 2.432 10 0 BEAERN Cc1cc2ccccc2c2c1C(=O)NC2=O ZINC000045254890 178297667 /nfs/dbraw/zinc/29/76/67/178297667.db2.gz AOBGLLPBRSOPOO-UHFFFAOYSA-N 0 0 211.220 2.032 10 0 BEAERN Cc1cc2nc(CCCO)n(C)c2cc1C ZINC000040310913 178302373 /nfs/dbraw/zinc/30/23/73/178302373.db2.gz XMBAYHQJRJCSAO-UHFFFAOYSA-N 0 0 218.300 2.115 10 0 BEAERN Cc1cc2ncccc2c2nc(NO)n(C)c21 ZINC000002387166 178304920 /nfs/dbraw/zinc/30/49/20/178304920.db2.gz QTWLJTCDXKNEMT-UHFFFAOYSA-N 0 0 228.255 2.231 10 0 in-vitro BEAERN CCC(CC)CNc1nccnc1N(C)C ZINC000302184755 168366573 /nfs/dbraw/zinc/36/65/73/168366573.db2.gz GZAYPIUQBPMHKB-UHFFFAOYSA-N 0 0 222.336 2.391 10 0 BEAERN Cc1nn(C)c(N)c1-c1ccc(C)cc1 ZINC000055332731 178317707 /nfs/dbraw/zinc/31/77/07/178317707.db2.gz PXLARKDGGBKVOU-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1ccc(-c2cc(=O)cc[nH]2)c(F)c1 ZINC000065355678 178318216 /nfs/dbraw/zinc/31/82/16/178318216.db2.gz UQTPRHPSNHDGHU-UHFFFAOYSA-N 0 0 203.216 2.489 10 0 BEAERN Cc1ccc(-c2cc(=O)[nH]c(=S)[nH]2)cc1 ZINC000016857683 178318271 /nfs/dbraw/zinc/31/82/71/178318271.db2.gz VHAPQBJPXRZPLY-UHFFFAOYSA-N 0 0 218.281 2.408 10 0 BEAERN Cc1c(N)n(C)nc1-c1ccc(C)cc1 ZINC000036937938 178339856 /nfs/dbraw/zinc/33/98/56/178339856.db2.gz IVQPIUZWITXASG-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1ccc(-c2nn(C)c(N)c2C)s1 ZINC000036938078 178339904 /nfs/dbraw/zinc/33/99/04/178339904.db2.gz XDMSAMKIKMRTAT-UHFFFAOYSA-N 0 0 207.302 2.348 10 0 BEAERN Cc1ccc(-c2nnc(CN)s2)c(C)c1 ZINC000075430011 178340491 /nfs/dbraw/zinc/34/04/91/178340491.db2.gz CRFZQPFXEPCKCG-UHFFFAOYSA-N 0 0 219.313 2.281 10 0 BEAERN Cc1ccc(-c2nnc(CN)s2)cc1C ZINC000057500589 178341008 /nfs/dbraw/zinc/34/10/08/178341008.db2.gz XOIIEAHFSSLRPS-UHFFFAOYSA-N 0 0 219.313 2.281 10 0 BEAERN Cc1ccc(C2N=NC(=S)N2C)cc1C ZINC000009928068 178341424 /nfs/dbraw/zinc/34/14/24/178341424.db2.gz REBYXDCJHYXZID-UHFFFAOYSA-N 0 0 219.313 2.388 10 0 BEAERN Cc1c(CO)nnn1-c1ccc(C)c(Cl)c1 ZINC000045892830 178350077 /nfs/dbraw/zinc/35/00/77/178350077.db2.gz WTGREXNCYUCPMK-UHFFFAOYSA-N 0 0 237.690 2.030 10 0 BEAERN Cc1ccc(Br)n2ccnc12 ZINC000167573915 178362394 /nfs/dbraw/zinc/36/23/94/178362394.db2.gz DDJOYISGHIDELA-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN Cc1ccc(C(=O)N(C)C)c(OC2CC2)c1 ZINC000095721317 178374818 /nfs/dbraw/zinc/37/48/18/178374818.db2.gz UQUDYZJLVWCKPI-UHFFFAOYSA-N 0 0 219.284 2.238 10 0 BEAERN Cc1ccc(C(=O)Cn2ccnc2)cc1C ZINC000037340554 178375221 /nfs/dbraw/zinc/37/52/21/178375221.db2.gz VLQGOIHZUVMFKK-UHFFFAOYSA-N 0 0 214.268 2.383 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@@H]2CCCO2)s1 ZINC000058965247 178378230 /nfs/dbraw/zinc/37/82/30/178378230.db2.gz OJEOEBREVDWPHS-JTQLQIEISA-N 0 0 239.340 2.308 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ncco1 ZINC000616612501 349566515 /nfs/dbraw/zinc/56/65/15/349566515.db2.gz JUMVCDITYUSUGW-SECBINFHSA-N 0 0 224.260 2.358 10 0 BEAERN Cc1ccc(C(=O)N(CCO)C(C)C)c(C)c1 ZINC000036792940 178382994 /nfs/dbraw/zinc/38/29/94/178382994.db2.gz SGJLDSNKGKSLJL-UHFFFAOYSA-N 0 0 235.327 2.146 10 0 BEAERN Cc1ccc(C(=O)N2CCCC[C@H](CO)C2)cc1 ZINC000378211594 178387337 /nfs/dbraw/zinc/38/73/37/178387337.db2.gz QYTBCHMEDUOKAQ-ZDUSSCGKSA-N 0 0 247.338 2.230 10 0 BEAERN CCC(CC)[N@H+](CCOC)C/C(C)=C/C(=O)[O-] ZINC000104273679 168373468 /nfs/dbraw/zinc/37/34/68/168373468.db2.gz PUZJIQLFTMVCMK-PKNBQFBNSA-N 0 0 243.347 2.154 10 0 BEAERN CCC(CC)N(CCO)C(=O)[C@@H]1CC=CCC1 ZINC000042506975 168374296 /nfs/dbraw/zinc/37/42/96/168374296.db2.gz RPTVXVQCAFUBNX-GFCCVEGCSA-N 0 0 239.359 2.352 10 0 BEAERN CCC(CC)N(CCO)c1cc(N)cc(F)c1 ZINC000042501289 168374144 /nfs/dbraw/zinc/37/41/44/168374144.db2.gz MSAMAQKBMPZUPD-UHFFFAOYSA-N 0 0 240.322 2.395 10 0 BEAERN Cc1ccc(C(=O)CN2C[C@@H](C)CC2=O)cc1C ZINC000062817002 178373245 /nfs/dbraw/zinc/37/32/45/178373245.db2.gz ZMWKCRFZCMVIIK-JTQLQIEISA-N 0 0 245.322 2.355 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403816115 538954007 /nfs/dbraw/zinc/95/40/07/538954007.db2.gz JMDHYBVAODWZPI-OUAUKWLOSA-N 0 0 205.305 2.040 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(O)c1 ZINC000336593470 178398418 /nfs/dbraw/zinc/39/84/18/178398418.db2.gz SGZMQXJWBKFQIP-JQWIXIFHSA-N 0 0 231.295 2.325 10 0 BEAERN CCOC(=O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000259697662 349600477 /nfs/dbraw/zinc/60/04/77/349600477.db2.gz VUBHAWCGXUBBOC-MRVPVSSYSA-N 0 0 223.228 2.261 10 0 BEAERN CC(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000405486499 538959998 /nfs/dbraw/zinc/95/99/98/538959998.db2.gz AXNNEAKZXIHZGY-UHFFFAOYSA-N 0 0 227.304 2.365 10 0 BEAERN CCC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405519077 538960086 /nfs/dbraw/zinc/96/00/86/538960086.db2.gz VVRDDAQAOWHFPH-UWVGGRQHSA-N 0 0 241.331 2.469 10 0 BEAERN CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405616002 538960491 /nfs/dbraw/zinc/96/04/91/538960491.db2.gz VTDYYONDTGYADX-SCZZXKLOSA-N 0 0 227.304 2.221 10 0 BEAERN CCC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000405597283 538960505 /nfs/dbraw/zinc/96/05/05/538960505.db2.gz ULJBRCYOLMVMGS-UHFFFAOYSA-N 0 0 227.304 2.413 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccc[nH]1 ZINC000405578075 538960555 /nfs/dbraw/zinc/96/05/55/538960555.db2.gz MPICKOHECLBGTR-MRVPVSSYSA-N 0 0 238.287 2.111 10 0 BEAERN CC(C)OCCCC(=O)N[C@@H](C)C(C)C ZINC000181473650 538960780 /nfs/dbraw/zinc/96/07/80/538960780.db2.gz NCKNSWGTUFHHHV-NSHDSACASA-N 0 0 215.337 2.352 10 0 BEAERN CCC(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000405686008 538960982 /nfs/dbraw/zinc/96/09/82/538960982.db2.gz AUOKJUUAQSDSKJ-UHFFFAOYSA-N 0 0 227.304 2.270 10 0 BEAERN C[C@H](CNC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000405691049 538961044 /nfs/dbraw/zinc/96/10/44/538961044.db2.gz DPNBWDMQNMBHQX-MRVPVSSYSA-N 0 0 227.304 2.126 10 0 BEAERN COC[C@H]1N=C(C)O[C@@H]1c1ccccc1 ZINC000000032318 342670289 /nfs/dbraw/zinc/67/02/89/342670289.db2.gz AKFIXTAIQHJWAU-VXGBXAGGSA-N 0 0 205.257 2.191 10 0 BEAERN CCC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406049429 538962782 /nfs/dbraw/zinc/96/27/82/538962782.db2.gz UTGCRSWVSPJBOJ-ZJUUUORDSA-N 0 0 239.315 2.435 10 0 BEAERN CSCC(=O)NCCCC1CCCC1 ZINC000044633077 342691613 /nfs/dbraw/zinc/69/16/13/342691613.db2.gz SRZXJDHKRCGGKP-UHFFFAOYSA-N 0 0 215.362 2.436 10 0 BEAERN CCC(=O)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406049426 538963000 /nfs/dbraw/zinc/96/30/00/538963000.db2.gz UTGCRSWVSPJBOJ-VHSXEESVSA-N 0 0 239.315 2.435 10 0 BEAERN O=C(c1ccco1)c1cc2ccccc2nn1 ZINC000144041896 342694940 /nfs/dbraw/zinc/69/49/40/342694940.db2.gz OAENFVXACSHZRG-UHFFFAOYSA-N 0 0 224.219 2.454 10 0 BEAERN CC(=O)C1=C(O)CC[C@@H](c2cccnc2)C1 ZINC000144023552 342695311 /nfs/dbraw/zinc/69/53/11/342695311.db2.gz YHMBTWNQVFIUHF-PWSUYJOCSA-N 0 0 217.268 2.123 10 0 BEAERN [NH3+][C@H](C(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000002046687 342715278 /nfs/dbraw/zinc/71/52/78/342715278.db2.gz NYYSELKAMGOUDG-AWEZNQCLSA-N 0 0 239.274 2.211 10 0 BEAERN O=[N+]([O-])/C=C/c1cc(Br)ccc1O ZINC000002244097 342717298 /nfs/dbraw/zinc/71/72/98/342717298.db2.gz HRTAZQACTBHMGG-ONEGZZNKSA-N 0 0 244.044 2.402 10 0 BEAERN Cn1nc(Br)c2c1cccc2F ZINC000083428715 398281554 /nfs/dbraw/zinc/28/15/54/398281554.db2.gz UQESXDXZEKOGAB-UHFFFAOYSA-N 0 0 229.052 2.475 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)Cc1ccncc1 ZINC000043067631 342749196 /nfs/dbraw/zinc/74/91/96/342749196.db2.gz NDZMFRNNEQNXLA-NSHDSACASA-N 0 0 235.331 2.268 10 0 BEAERN OCCCNc1cc(F)c(F)cc1Cl ZINC000306657883 361867518 /nfs/dbraw/zinc/86/75/18/361867518.db2.gz IIRKTKNUPXJESE-UHFFFAOYSA-N 0 0 221.634 2.413 10 0 BEAERN CC(C)(CO)c1ccc(Br)cc1O ZINC000216025071 342734709 /nfs/dbraw/zinc/73/47/09/342734709.db2.gz DZPLAQBRXDXULH-UHFFFAOYSA-N 0 0 245.116 2.425 10 0 BEAERN CCc1c(O)[nH]c2ccc(C)cc2c1=O ZINC000003944996 342739705 /nfs/dbraw/zinc/73/97/05/342739705.db2.gz LMMXBSFTGLFRRD-UHFFFAOYSA-N 0 0 203.241 2.105 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2C)c(F)c1 ZINC000149545536 178432944 /nfs/dbraw/zinc/43/29/44/178432944.db2.gz VUFYGRKMLUGING-SKDRFNHKSA-N 0 0 237.274 2.041 10 0 BEAERN C[C@H](Nc1ncccc1N)c1cccnc1 ZINC000035692049 342755626 /nfs/dbraw/zinc/75/56/26/342755626.db2.gz UCSRTPDYKGWKCM-VIFPVBQESA-N 0 0 214.272 2.232 10 0 BEAERN C[C@H](c1cccnc1)n1cccc1C=O ZINC000035692778 342755667 /nfs/dbraw/zinc/75/56/67/342755667.db2.gz JELSOKOAFNYEMD-SNVBAGLBSA-N 0 0 200.241 2.305 10 0 BEAERN C[C@@H](Nc1ccc(N)cn1)c1ccncc1 ZINC000035693249 342755689 /nfs/dbraw/zinc/75/56/89/342755689.db2.gz QINSCMXKADTVSK-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](CO)Nc1nccc2sccc21 ZINC000035687777 342755707 /nfs/dbraw/zinc/75/57/07/342755707.db2.gz HAIDOVXJFUYCEO-ZETCQYMHSA-N 0 0 208.286 2.089 10 0 BEAERN CCC(CC)NC(=O)c1ccc(OC)c(N)c1 ZINC000021963994 168386056 /nfs/dbraw/zinc/38/60/56/168386056.db2.gz BEHUJOYWAUAWIJ-UHFFFAOYSA-N 0 0 236.315 2.196 10 0 BEAERN C[C@H](NC1N=NC(=S)S1)C1CC1 ZINC000035733894 342757735 /nfs/dbraw/zinc/75/77/35/342757735.db2.gz BHZJLNSEWUACNT-BYPYZUCNSA-N 0 0 201.320 2.037 10 0 BEAERN COC/C=C/COc1ccccc1C(=O)OC ZINC000145404440 342761311 /nfs/dbraw/zinc/76/13/11/342761311.db2.gz MBNYLGJKVHYIBJ-AATRIKPKSA-N 0 0 236.267 2.055 10 0 BEAERN CC(C)C(=O)O[C@@H]([C@H](C)CO)C(C)(C)C ZINC000005359006 342762554 /nfs/dbraw/zinc/76/25/54/342762554.db2.gz YXISVHDWGVMPGJ-ZJUUUORDSA-N 0 0 216.321 2.229 10 0 BEAERN CCCc1cc(N)ccc1C(=O)NC(C)C ZINC000145791773 342763348 /nfs/dbraw/zinc/76/33/48/342763348.db2.gz RKCXSIAJMLVYOX-UHFFFAOYSA-N 0 0 220.316 2.360 10 0 BEAERN CC(C)C(=O)O[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005452643 342764105 /nfs/dbraw/zinc/76/41/05/342764105.db2.gz AKINKDOLVIOTCB-VXGBXAGGSA-N 0 0 225.332 2.203 10 0 BEAERN Cc1ccc(C2(F)COC2)c(Cl)n1 ZINC000145967611 342764608 /nfs/dbraw/zinc/76/46/08/342764608.db2.gz YBHDCHNUGMDEHO-UHFFFAOYSA-N 0 0 201.628 2.238 10 0 BEAERN CN(C)c1ccc(CC[C@H](O)C2CC2)cc1 ZINC000146177792 342767104 /nfs/dbraw/zinc/76/71/04/342767104.db2.gz DIKQLKHBEBXXCV-AWEZNQCLSA-N 0 0 219.328 2.456 10 0 BEAERN CC(C)(C)[C@H]1OC(=O)[C@@H]2Cc3ccccc3N12 ZINC000146197991 342767303 /nfs/dbraw/zinc/76/73/03/342767303.db2.gz SUDQOFRXKGIWBP-WCQYABFASA-N 0 0 231.295 2.347 10 0 BEAERN COC(=O)C1(c2ccccc2)CC=CC1 ZINC000146378524 342769148 /nfs/dbraw/zinc/76/91/48/342769148.db2.gz KKKFMOPPNBXBGX-UHFFFAOYSA-N 0 0 202.253 2.447 10 0 BEAERN CCOC(=O)[C@@H]1CCc2ccc(OC)cc2C1 ZINC000146453191 342769691 /nfs/dbraw/zinc/76/96/91/342769691.db2.gz URRCBLGXCFTNSR-LLVKDONJSA-N 0 0 234.295 2.363 10 0 BEAERN N[C@H](Cc1cccc(Cl)c1)C(F)F ZINC000214681939 342770088 /nfs/dbraw/zinc/77/00/88/342770088.db2.gz KVWHCGDODXFJFP-MRVPVSSYSA-N 0 0 205.635 2.475 10 0 BEAERN O=C(c1ccccc1)[C@H](O)Cc1ccccc1 ZINC000005947227 342771796 /nfs/dbraw/zinc/77/17/96/342771796.db2.gz XTJIDQBILYRXBC-CQSZACIVSA-N 0 0 226.275 2.473 10 0 BEAERN COc1cc2c(cc1O)CC(C)(C)N=C2 ZINC000147934060 342783129 /nfs/dbraw/zinc/78/31/29/342783129.db2.gz ATKCQKBTIIOEIC-UHFFFAOYSA-N 0 0 205.257 2.154 10 0 BEAERN CC(=O)Nc1ccncc1C(=O)c1ccccc1 ZINC000035823006 342783634 /nfs/dbraw/zinc/78/36/34/342783634.db2.gz WLNFSPMVZFJCLU-UHFFFAOYSA-N 0 0 240.262 2.271 10 0 BEAERN CC[C@H](NC(=O)CCSC)c1nccs1 ZINC000130859005 398285367 /nfs/dbraw/zinc/28/53/67/398285367.db2.gz DGHAVZJJXSZMTH-QMMMGPOBSA-N 0 0 244.385 2.464 10 0 BEAERN CCCCN1C(=O)C(=O)c2cccc(C)c21 ZINC000007261575 342790677 /nfs/dbraw/zinc/79/06/77/342790677.db2.gz JYTYTEAAQJQFBM-UHFFFAOYSA-N 0 0 217.268 2.324 10 0 BEAERN CC(C)(C)c1cc(OCCCO)ccc1O ZINC000149572827 342793712 /nfs/dbraw/zinc/79/37/12/342793712.db2.gz NBOGODDTOPKOHH-UHFFFAOYSA-N 0 0 224.300 2.451 10 0 BEAERN CNc1ncnc(OCc2ccccc2)c1C ZINC000157529186 342796311 /nfs/dbraw/zinc/79/63/11/342796311.db2.gz GNSNJLHDMWCECA-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN CC(C)(O)CN1CCCc2ccccc21 ZINC000032010564 342796400 /nfs/dbraw/zinc/79/64/00/342796400.db2.gz SJTPQRVSRGIRAW-UHFFFAOYSA-N 0 0 205.301 2.210 10 0 BEAERN C[S@](=O)Cc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000150240331 342798997 /nfs/dbraw/zinc/79/89/97/342798997.db2.gz QPNCOKGJNRDMSR-CQSZACIVSA-N 0 0 233.676 2.127 10 0 BEAERN Nc1ccc(CN2CCC2)c(C(F)(F)F)c1 ZINC000150244055 342799102 /nfs/dbraw/zinc/79/91/02/342799102.db2.gz YTEHESZLVVPXDZ-UHFFFAOYSA-N 0 0 230.233 2.493 10 0 BEAERN Cc1cc(C)cc(C[C@@H](O)C(F)F)c1 ZINC000157645739 342810627 /nfs/dbraw/zinc/81/06/27/342810627.db2.gz KFKJRLMVMDSRIN-SNVBAGLBSA-N 0 0 200.228 2.472 10 0 BEAERN COC(OC)Oc1ccc(Cl)cc1 ZINC000201152499 398290598 /nfs/dbraw/zinc/29/05/98/398290598.db2.gz SRFJRABJGPZJKK-UHFFFAOYSA-N 0 0 202.637 2.295 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000624673640 342817290 /nfs/dbraw/zinc/81/72/90/342817290.db2.gz MXOLQSOAXISXMI-VXGBXAGGSA-N 0 0 247.342 2.001 10 0 BEAERN C/C=C(/C[C@@H](CC(C)C)C(=O)OC)C(=O)OC ZINC000035994242 342821789 /nfs/dbraw/zinc/82/17/89/342821789.db2.gz WORNTPWCJVLNDD-SDKXAQGSSA-N 0 0 242.315 2.331 10 0 BEAERN CC[C@H](NN)c1cc(Br)cs1 ZINC000097535640 342807099 /nfs/dbraw/zinc/80/70/99/342807099.db2.gz AKQXYGINRSIASQ-LURJTMIESA-N 0 0 235.150 2.425 10 0 BEAERN O=c1cc[nH]n1Cc1ccc(Cl)cc1 ZINC000157617228 342807232 /nfs/dbraw/zinc/80/72/32/342807232.db2.gz MVVIOGCWWCYVOB-UHFFFAOYSA-N 0 0 208.648 2.058 10 0 BEAERN CCC(CC)[C@H](O)CNC(=O)CCCSC ZINC000126968403 342807799 /nfs/dbraw/zinc/80/77/99/342807799.db2.gz ULBRVQHUIFFTBP-LLVKDONJSA-N 0 0 247.404 2.043 10 0 BEAERN CC(C)(C)c1nc([C@H]2CC(=O)N2)cs1 ZINC000126970963 342807914 /nfs/dbraw/zinc/80/79/14/342807914.db2.gz VDRAIKFSXOKUMW-ZCFIWIBFSA-N 0 0 210.302 2.002 10 0 BEAERN CCC(CC)Nc1nccn(CC(C)C)c1=O ZINC000061762019 168395596 /nfs/dbraw/zinc/39/55/96/168395596.db2.gz MAVVRTZRDSAFAN-UHFFFAOYSA-N 0 0 237.347 2.500 10 0 BEAERN CCC(C)(C)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000191731028 538993625 /nfs/dbraw/zinc/99/36/25/538993625.db2.gz REGYCESCZJQWPS-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN Clc1ccc(NCc2nc[nH]n2)cc1 ZINC000042040762 361930826 /nfs/dbraw/zinc/93/08/26/361930826.db2.gz CBKYLEOAVKQCMX-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN Fc1ccc(Cn2cnnc2Cl)cc1 ZINC000071053314 361937732 /nfs/dbraw/zinc/93/77/32/361937732.db2.gz XVQFHJMDQZDCBV-UHFFFAOYSA-N 0 0 211.627 2.119 10 0 BEAERN Cc1nnc(Cl)n1[C@@H](C)c1cccnc1 ZINC000071054172 361938453 /nfs/dbraw/zinc/93/84/53/361938453.db2.gz GWAMIOCUOFHDKM-ZETCQYMHSA-N 0 0 222.679 2.244 10 0 BEAERN Clc1nncn1CCc1cccs1 ZINC000071054021 361938783 /nfs/dbraw/zinc/93/87/83/361938783.db2.gz OMQKBDARWPSJKU-UHFFFAOYSA-N 0 0 213.693 2.236 10 0 BEAERN Cc1oncc1-c1nnc(Br)s1 ZINC000071051300 361941070 /nfs/dbraw/zinc/94/10/70/361941070.db2.gz XBEOXMAHRYCSEE-UHFFFAOYSA-N 0 0 246.089 2.264 10 0 BEAERN CCc1cc(N[C@@]2(C)CCCOC2)ncn1 ZINC000381742528 539006646 /nfs/dbraw/zinc/00/66/46/539006646.db2.gz PFURILMLTNDKNQ-LBPRGKRZSA-N 0 0 221.304 2.020 10 0 BEAERN O=C1CSC[C@H]1Cc1cc(F)cc(F)c1 ZINC000164856300 342838727 /nfs/dbraw/zinc/83/87/27/342838727.db2.gz ANQQOHPBTDGHCY-MRVPVSSYSA-N 0 0 228.263 2.439 10 0 BEAERN CC(C)(C)C[C@@H](c1ccccc1)S(N)(=O)=O ZINC000050349695 539010680 /nfs/dbraw/zinc/01/06/80/539010680.db2.gz UHPCNKUFVFABMY-NSHDSACASA-N 0 0 241.356 2.452 10 0 BEAERN CC(C)C[C@@H](c1ccccc1)S(N)(=O)=O ZINC000050350123 539010721 /nfs/dbraw/zinc/01/07/21/539010721.db2.gz KYHHPKAEEMPFLK-NSHDSACASA-N 0 0 227.329 2.062 10 0 BEAERN CC(C)(C)C[C@H](c1ccccc1)S(N)(=O)=O ZINC000050349697 539010774 /nfs/dbraw/zinc/01/07/74/539010774.db2.gz UHPCNKUFVFABMY-LLVKDONJSA-N 0 0 241.356 2.452 10 0 BEAERN CN(c1ccc(C=O)o1)[C@@H]1CCSC1 ZINC000050544139 539010784 /nfs/dbraw/zinc/01/07/84/539010784.db2.gz IGBBHWPLDAQSDC-MRVPVSSYSA-N 0 0 211.286 2.034 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000192285937 538994730 /nfs/dbraw/zinc/99/47/30/538994730.db2.gz JPGRRKFGCKDKDB-WDEREUQCSA-N 0 0 244.404 2.425 10 0 BEAERN NN[C@H](c1c(F)cccc1Cl)C1CC1 ZINC000097747802 342835884 /nfs/dbraw/zinc/83/58/84/342835884.db2.gz OPHMMHXOOYVOQH-JTQLQIEISA-N 0 0 214.671 2.394 10 0 BEAERN Cc1nc2cc(F)c(N3CCCC3)cc2c(=O)[nH]1 ZINC000725262159 539027068 /nfs/dbraw/zinc/02/70/68/539027068.db2.gz ZHPUPCOLFMAAKC-UHFFFAOYSA-N 0 0 247.273 2.383 10 0 BEAERN Cc1ccoc1[C@@H]1NCCc2occc21 ZINC000709938873 539027806 /nfs/dbraw/zinc/02/78/06/539027806.db2.gz OYYILTFWULOWCS-LLVKDONJSA-N 0 0 203.241 2.416 10 0 BEAERN Cc1cc(N)nn1CC(C)(C)CC(F)F ZINC000710378758 539027813 /nfs/dbraw/zinc/02/78/13/539027813.db2.gz MLKFLJSDVHRLOR-UHFFFAOYSA-N 0 0 217.263 2.455 10 0 BEAERN CCc1nccn1-c1ccccc1C=O ZINC000042419934 361997330 /nfs/dbraw/zinc/99/73/30/361997330.db2.gz AYDIOMDTISDMEU-UHFFFAOYSA-N 0 0 200.241 2.247 10 0 BEAERN CN(Cc1ccc(Cl)s1)C(N)=S ZINC000042489141 362002895 /nfs/dbraw/zinc/00/28/95/362002895.db2.gz JBKWTPZZUCDYIG-UHFFFAOYSA-N 0 0 220.750 2.077 10 0 BEAERN CC[C@@H](C)Cc1nnc(Br)o1 ZINC000164868621 342853478 /nfs/dbraw/zinc/85/34/78/342853478.db2.gz JTDYCTVZINALII-RXMQYKEDSA-N 0 0 219.082 2.421 10 0 BEAERN CSc1nnc(NC(C)(C)C)s1 ZINC000032607135 342853886 /nfs/dbraw/zinc/85/38/86/342853886.db2.gz MEUGCUKCSVBEHM-UHFFFAOYSA-N 0 0 203.336 2.470 10 0 BEAERN C[C@H]1OCC[C@@]1(O)Cc1ccc(Cl)s1 ZINC000134434821 342854188 /nfs/dbraw/zinc/85/41/88/342854188.db2.gz DPLKQYRZNFCVTN-GMSGAONNSA-N 0 0 232.732 2.484 10 0 BEAERN C[C@H]1OCC[C@@]1(O)c1ccccc1Cl ZINC000134439987 342854276 /nfs/dbraw/zinc/85/42/76/342854276.db2.gz JGTXLLULQSUCEW-KCJUWKMLSA-N 0 0 212.676 2.336 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(C(=O)OC)ccn1 ZINC000233429282 342861354 /nfs/dbraw/zinc/86/13/54/342861354.db2.gz DUJONZVQQUIVPL-GXSJLCMTSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1c(N)c(F)cc(C)c1F ZINC000233715910 342879120 /nfs/dbraw/zinc/87/91/20/342879120.db2.gz BKOLMPFVEKFVOK-UHFFFAOYSA-N 0 0 215.199 2.032 10 0 BEAERN C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000134534091 342862765 /nfs/dbraw/zinc/86/27/65/342862765.db2.gz RZRDDCIVXKCNKJ-VXNVDRBHSA-N 0 0 215.680 2.200 10 0 BEAERN CCN(c1cc(N)ns1)C1CCCC1 ZINC000233459281 342863799 /nfs/dbraw/zinc/86/37/99/342863799.db2.gz KWALEVNUIOWCPV-UHFFFAOYSA-N 0 0 211.334 2.494 10 0 BEAERN NC(=O)c1cccn1-c1ccc2ncccc2c1 ZINC000013283683 342865433 /nfs/dbraw/zinc/86/54/33/342865433.db2.gz AYYWPMIJMILCAU-UHFFFAOYSA-N 0 0 237.262 2.124 10 0 BEAERN ON[C@H](c1ccc(O)c(F)c1)C(F)(F)F ZINC000308745762 342866304 /nfs/dbraw/zinc/86/63/04/342866304.db2.gz ARCUMHHFHJWFMD-SSDOTTSWSA-N 0 0 225.141 2.114 10 0 BEAERN O=C1CSC[C@@H]1Cc1ccc(F)c(F)c1 ZINC000134563679 342868293 /nfs/dbraw/zinc/86/82/93/342868293.db2.gz HBUKIPQMOMZOGS-QMMMGPOBSA-N 0 0 228.263 2.439 10 0 BEAERN Cc1nc(C[C@H]2CSCC2=O)sc1C ZINC000134569790 342868803 /nfs/dbraw/zinc/86/88/03/342868803.db2.gz OVJSDCWMTOOQKA-QMMMGPOBSA-N 0 0 227.354 2.235 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H](O)C2)c1 ZINC000077102500 398306353 /nfs/dbraw/zinc/30/63/53/398306353.db2.gz BDTVICVAUZAAJG-QWHCGFSZSA-N 0 0 233.311 2.028 10 0 BEAERN CCc1c[nH]c(=S)n1[C@@H]1CCO[C@H]1C ZINC000134582136 342871005 /nfs/dbraw/zinc/87/10/05/342871005.db2.gz YTVFWGUNGZLKPN-IONNQARKSA-N 0 0 212.318 2.084 10 0 BEAERN CC(=O)OCC(=O)c1ccc(F)cc1Cl ZINC000308807309 342872165 /nfs/dbraw/zinc/87/21/65/342872165.db2.gz PGTSEDDDXFRDSU-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN O[C@H]1CSC[C@H]1Cc1ccsc1 ZINC000134664070 342875796 /nfs/dbraw/zinc/87/57/96/342875796.db2.gz OBCPMZBZKHQNFZ-BDAKNGLRSA-N 0 0 200.328 2.015 10 0 BEAERN O[C@H]1CSC[C@H]1Cc1cccc(F)c1 ZINC000134672436 342876492 /nfs/dbraw/zinc/87/64/92/342876492.db2.gz NBBXNNDNWPLRSD-KOLCDFICSA-N 0 0 212.289 2.092 10 0 BEAERN CCNc1ncnc(SC)c1Br ZINC000233688173 342877194 /nfs/dbraw/zinc/87/71/94/342877194.db2.gz FVYAUIMPFSTERG-UHFFFAOYSA-N 0 0 248.149 2.393 10 0 BEAERN CCSc1cc(C(F)(F)F)nc(N)n1 ZINC000165134466 342877576 /nfs/dbraw/zinc/87/75/76/342877576.db2.gz JXILXYGKYMLPDR-UHFFFAOYSA-N 0 0 223.223 2.190 10 0 BEAERN CCC[C@H](C)Nc1nc(Cl)ncc1N ZINC000233340938 342857416 /nfs/dbraw/zinc/85/74/16/342857416.db2.gz PNWDVPYURFZONU-LURJTMIESA-N 0 0 214.700 2.313 10 0 BEAERN C[C@@H]1C[C@H](C)SC(NCC(F)(F)F)=N1 ZINC000164952456 342859569 /nfs/dbraw/zinc/85/95/69/342859569.db2.gz XKBMVZJDCZPSNQ-RITPCOANSA-N 0 0 226.267 2.408 10 0 BEAERN CSCCCC(=O)N[C@@H](C)c1ccccn1 ZINC000134498224 342860235 /nfs/dbraw/zinc/86/02/35/342860235.db2.gz ADBUZQOJNGPCKG-JTQLQIEISA-N 0 0 238.356 2.402 10 0 BEAERN CCn1nccc1[C@H]1NCC[C@@H](C)S1 ZINC000164944158 342860561 /nfs/dbraw/zinc/86/05/61/342860561.db2.gz QPQHPDOYTUMLPT-SCZZXKLOSA-N 0 0 211.334 2.017 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226593140 342898668 /nfs/dbraw/zinc/89/86/68/342898668.db2.gz QDPWJZWIAVRMET-AXFHLTTASA-N 0 0 211.305 2.114 10 0 BEAERN CSCCCC(=O)N1CCS[C@@H](C)C1 ZINC000134841378 342898675 /nfs/dbraw/zinc/89/86/75/342898675.db2.gz ZTVBOPPIMXYTQP-VIFPVBQESA-N 0 0 233.402 2.094 10 0 BEAERN COc1c(Cl)ncnc1NC1CCCC1 ZINC000134736569 342880888 /nfs/dbraw/zinc/88/08/88/342880888.db2.gz HVVMNVUSTRHVQJ-UHFFFAOYSA-N 0 0 227.695 2.493 10 0 BEAERN COC(=O)c1c(C)ccc(Br)c1N ZINC000134735557 342880898 /nfs/dbraw/zinc/88/08/98/342880898.db2.gz ZAHGPFBMYZRNTA-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN C[C@@H]1OCC[C@H]1N(C)c1nc(Cl)cs1 ZINC000165228247 342886844 /nfs/dbraw/zinc/88/68/44/342886844.db2.gz FZFUZQDBBYCBEY-NKWVEPMBSA-N 0 0 232.736 2.410 10 0 BEAERN Nc1cc2[nH]nc(Br)c2c(F)c1 ZINC000014983729 342890185 /nfs/dbraw/zinc/89/01/85/342890185.db2.gz HFIUNYWQTZKVOA-UHFFFAOYSA-N 0 0 230.040 2.047 10 0 BEAERN O=c1[nH]ccc2c1ccn2Cc1ccccc1 ZINC000014986151 342890409 /nfs/dbraw/zinc/89/04/09/342890409.db2.gz VFDCHRWQDACBOK-UHFFFAOYSA-N 0 0 224.263 2.378 10 0 BEAERN Cc1ccc(Br)c(NC(N)=S)c1 ZINC000134860848 342904765 /nfs/dbraw/zinc/90/47/65/342904765.db2.gz DHAAHTUDXRKKIV-UHFFFAOYSA-N 0 0 245.145 2.413 10 0 BEAERN CCCOc1nc(C)ncc1Br ZINC000306489885 398324405 /nfs/dbraw/zinc/32/44/05/398324405.db2.gz MAKDXDAUCYZXOV-UHFFFAOYSA-N 0 0 231.093 2.336 10 0 BEAERN ClC(Cl)=CCNc1cc(Cl)ncn1 ZINC000407341257 342923525 /nfs/dbraw/zinc/92/35/25/342923525.db2.gz WBHRPTZCIUPGKH-UHFFFAOYSA-N 0 0 238.505 2.283 10 0 BEAERN COC(=O)[C@H](CC(C)C)N[C@@H](C)C(C)C ZINC000036980813 342915371 /nfs/dbraw/zinc/91/53/71/342915371.db2.gz UFTRVJLFQQSVBA-QWRGUYRKSA-N 0 0 215.337 2.208 10 0 BEAERN CCCc1cc(NC(=O)CCCSC)n[nH]1 ZINC000134896721 342920472 /nfs/dbraw/zinc/92/04/72/342920472.db2.gz XNFBRMGBPLPTGT-UHFFFAOYSA-N 0 0 241.360 2.444 10 0 BEAERN COc1cc2c(c(F)c1)NC(=O)[C@@H]2SC ZINC000116152858 342921044 /nfs/dbraw/zinc/92/10/44/342921044.db2.gz BNMMWQHUVIAAQH-SECBINFHSA-N 0 0 227.260 2.191 10 0 BEAERN Cc1ccc(I)c(CO)c1 ZINC000144119977 362003637 /nfs/dbraw/zinc/00/36/37/362003637.db2.gz DZKJTVRIVOAEPH-UHFFFAOYSA-N 0 0 248.063 2.092 10 0 BEAERN O=C(c1ccccc1)N1CCNc2ncccc21 ZINC000116635418 342929896 /nfs/dbraw/zinc/92/98/96/342929896.db2.gz GTXUZDWSUMPFJN-UHFFFAOYSA-N 0 0 239.278 2.154 10 0 BEAERN O=Cc1cccc2c1ccn2C1COC1 ZINC000575433973 398327733 /nfs/dbraw/zinc/32/77/33/398327733.db2.gz AOOBVOBOIYEIQK-UHFFFAOYSA-N 0 0 201.225 2.025 10 0 BEAERN Ic1cccc2oncc21 ZINC000575442138 398328479 /nfs/dbraw/zinc/32/84/79/398328479.db2.gz LSPUTMBDJVZAJM-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN Cc1ccc(C)c(C(=O)NC[C@H](O)C(C)(C)C)c1 ZINC000269084194 178465474 /nfs/dbraw/zinc/46/54/74/178465474.db2.gz XCKMNDDKMYGUMR-ZDUSSCGKSA-N 0 0 249.354 2.440 10 0 BEAERN C[C@@H](C(=O)N(C)C[C@H]1CCCO1)c1ccccc1 ZINC000120159527 398337006 /nfs/dbraw/zinc/33/70/06/398337006.db2.gz CYQWVPWNGAHKNB-TZMCWYRMSA-N 0 0 247.338 2.428 10 0 BEAERN COC(=O)c1nc(NC(C)(C)C)sc1C ZINC000167693664 346888940 /nfs/dbraw/zinc/88/89/40/346888940.db2.gz ILOQTQJZUXRAQD-UHFFFAOYSA-N 0 0 228.317 2.449 10 0 BEAERN Cc1ccc(C)c(C2=CCS(=O)(=O)C2)c1 ZINC000040173782 178468937 /nfs/dbraw/zinc/46/89/37/178468937.db2.gz LERFUKZMSXFVTK-UHFFFAOYSA-N 0 0 222.309 2.115 10 0 BEAERN Cc1ocnc1C(=O)NCCC1=CCCC1 ZINC000131374085 398340924 /nfs/dbraw/zinc/34/09/24/398340924.db2.gz RDOPDBMXPLCTOB-UHFFFAOYSA-N 0 0 220.272 2.213 10 0 BEAERN CCOc1ccc(C(N)=S)c(Cl)c1 ZINC000061850373 398344454 /nfs/dbraw/zinc/34/44/54/398344454.db2.gz UKJHKTGVRWGAKY-UHFFFAOYSA-N 0 0 215.705 2.373 10 0 BEAERN CCc1nc(-c2cccc(OC)c2)n[nH]1 ZINC000040175796 342959999 /nfs/dbraw/zinc/95/99/99/342959999.db2.gz ZOKLTBYIXUJLTE-UHFFFAOYSA-N 0 0 203.245 2.043 10 0 BEAERN Fc1cc([C@H]2NCCS2)cc(F)c1F ZINC000062707226 346903910 /nfs/dbraw/zinc/90/39/10/346903910.db2.gz FMEACVZBJABGAE-VIFPVBQESA-N 0 0 219.231 2.439 10 0 BEAERN Nc1cc2nc[nH]c2c(OCC2CCCCC2)n1 ZINC000020149007 342972178 /nfs/dbraw/zinc/97/21/78/342972178.db2.gz VPUIDVRYMVIXGO-UHFFFAOYSA-N 0 0 246.314 2.499 10 0 in-vivo BEAERN COc1cc([S@](C)=O)ccc1Br ZINC000117570040 343004514 /nfs/dbraw/zinc/00/45/14/343004514.db2.gz CIOFHAXKFWMRLU-GFCCVEGCSA-N 0 0 249.129 2.195 10 0 BEAERN CCOc1ccccc1Oc1ccc(N)nn1 ZINC000021297568 343009019 /nfs/dbraw/zinc/00/90/19/343009019.db2.gz YRBMBUAQFFFCKS-UHFFFAOYSA-N 0 0 231.255 2.250 10 0 BEAERN C=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1OCOC ZINC000036467276 343014776 /nfs/dbraw/zinc/01/47/76/343014776.db2.gz JOIKLCTUOMKGCA-ZYHUDNBSSA-N 0 0 210.273 2.087 10 0 BEAERN NNc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000036468167 343014930 /nfs/dbraw/zinc/01/49/30/343014930.db2.gz CQNFWPQVHONLMD-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cn1ccc(COc2cccc(F)c2)n1 ZINC000212119319 343025239 /nfs/dbraw/zinc/02/52/39/343025239.db2.gz QWFXSNKUSLVJRJ-UHFFFAOYSA-N 0 0 206.220 2.138 10 0 BEAERN COC(=O)c1ccc2[nH]cc(Cl)c(=O)c2c1 ZINC000167737243 346916525 /nfs/dbraw/zinc/91/65/25/346916525.db2.gz LXMQBDPEBQZMHX-UHFFFAOYSA-N 0 0 237.642 2.380 10 0 BEAERN CC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000043298839 343040700 /nfs/dbraw/zinc/04/07/00/343040700.db2.gz DPLBVMXFMVGWCQ-RXMQYKEDSA-N 0 0 206.167 2.052 10 0 BEAERN CCOC(=O)c1ncc2ccc(Cl)cn21 ZINC000261028489 349791894 /nfs/dbraw/zinc/79/18/94/349791894.db2.gz HZPALXDFEUJWFZ-UHFFFAOYSA-N 0 0 224.647 2.164 10 0 BEAERN CCc1cc(CC)n(-c2ccc(Cl)nn2)n1 ZINC000013237580 343073574 /nfs/dbraw/zinc/07/35/74/343073574.db2.gz PVVBIZIQXSFHBE-UHFFFAOYSA-N 0 0 236.706 2.441 10 0 BEAERN Nc1nc(-c2cc(F)cc(F)c2)ns1 ZINC000043387579 343061598 /nfs/dbraw/zinc/06/15/98/343061598.db2.gz CEVHLYVWERNFES-UHFFFAOYSA-N 0 0 213.212 2.066 10 0 BEAERN Cc1c(Br)cccc1[C@H](C)NN ZINC000127212482 344026031 /nfs/dbraw/zinc/02/60/31/344026031.db2.gz BXZHPMOSTGCIGQ-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN COc1cc(-c2cncc(OC)c2)sn1 ZINC000584881898 343079940 /nfs/dbraw/zinc/07/99/40/343079940.db2.gz SMZFPIQLMDKQJF-UHFFFAOYSA-N 0 0 222.269 2.222 10 0 BEAERN O=S(=O)(c1ccc(Cl)nc1)C(F)(F)F ZINC000584881098 343081992 /nfs/dbraw/zinc/08/19/92/343081992.db2.gz LVSPRHJCTLEFPH-UHFFFAOYSA-N 0 0 245.609 2.029 10 0 BEAERN CCNc1c2cnn([C@@H](C)CC)c2ncc1N ZINC000584882239 343084563 /nfs/dbraw/zinc/08/45/63/343084563.db2.gz WAIBHFKFRFBPTI-QMMMGPOBSA-N 0 0 233.319 2.416 10 0 BEAERN CNc1c(N)cnc2c(F)ccc(Cl)c21 ZINC000584882642 343085235 /nfs/dbraw/zinc/08/52/35/343085235.db2.gz MOWVFMQAMNWOLD-UHFFFAOYSA-N 0 0 225.654 2.073 10 0 BEAERN CNc1c(N)cnc2c(F)c(F)cc(F)c21 ZINC000584882779 343085365 /nfs/dbraw/zinc/08/53/65/343085365.db2.gz QXZYCTRROUZPFO-UHFFFAOYSA-N 0 0 227.189 2.276 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000247451339 343087292 /nfs/dbraw/zinc/08/72/92/343087292.db2.gz OZBQJRMAZHSUGJ-ZNSHCXBVSA-N 0 0 210.321 2.225 10 0 BEAERN CC(=O)Cn1cc(C)c(=O)c2cc(C)ccc21 ZINC000072236998 343087845 /nfs/dbraw/zinc/08/78/45/343087845.db2.gz GNYLABKSTMALLE-UHFFFAOYSA-N 0 0 229.279 2.207 10 0 BEAERN COC(=O)Cc1c(O)ccc(Cl)c1Cl ZINC000306670540 362033314 /nfs/dbraw/zinc/03/33/14/362033314.db2.gz DAOJAJAVQVQORW-UHFFFAOYSA-N 0 0 235.066 2.415 10 0 BEAERN Nc1ncc(C23CC4CC(CC(C4)C2)C3)c(N)n1 ZINC000013525084 343090865 /nfs/dbraw/zinc/09/08/65/343090865.db2.gz WMXJACCTBMTKBW-UHFFFAOYSA-N 0 0 244.342 2.109 10 0 BEAERN OCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000141660905 343097517 /nfs/dbraw/zinc/09/75/17/343097517.db2.gz FJACLEKNUFJTTN-UHFFFAOYSA-N 0 0 220.247 2.141 10 0 BEAERN CCOC(=O)Cc1c(F)ccc(C)c1F ZINC000043503491 343100355 /nfs/dbraw/zinc/10/03/55/343100355.db2.gz FFJYSQVMDGCGJV-UHFFFAOYSA-N 0 0 214.211 2.379 10 0 BEAERN CCOC(=O)C(=O)CCc1ccccc1Cl ZINC000043504309 343101698 /nfs/dbraw/zinc/10/16/98/343101698.db2.gz MWZPQRRAEUQLMA-UHFFFAOYSA-N 0 0 240.686 2.405 10 0 BEAERN Nc1ccc2c(=O)cc(-c3ccccc3)nc-2[nH]1 ZINC000013809324 343104412 /nfs/dbraw/zinc/10/44/12/343104412.db2.gz JFABDXYOYFAMJL-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN C[C@@H]1OC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000038392367 343094782 /nfs/dbraw/zinc/09/47/82/343094782.db2.gz SIIPMODOOMLRBR-CDUCUWFYSA-N 0 0 213.183 2.134 10 0 BEAERN CNC(=O)c1ccncc1-c1ccccc1C ZINC000138820934 343118546 /nfs/dbraw/zinc/11/85/46/343118546.db2.gz NOJXJHPLCSJPIO-UHFFFAOYSA-N 0 0 226.279 2.417 10 0 BEAERN O=S1(=O)c2ccccc2[C@H]2C=CC=C[C@H]21 ZINC000143219996 343122308 /nfs/dbraw/zinc/12/23/08/343122308.db2.gz BEPGSIQDJDUFBA-MWLCHTKSSA-N 0 0 218.277 2.052 10 0 BEAERN O=Cc1ccc(/C=C/c2ccncc2)nc1 ZINC000039018829 343112345 /nfs/dbraw/zinc/11/23/45/343112345.db2.gz PUYFNHSGYGODTP-HNQUOIGGSA-N 0 0 210.236 2.460 10 0 BEAERN CC(C)[N@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062750815 346928379 /nfs/dbraw/zinc/92/83/79/346928379.db2.gz XNYDSZGEYMVJQM-WDEREUQCSA-N 0 0 213.321 2.360 10 0 BEAERN CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062750817 346928204 /nfs/dbraw/zinc/92/82/04/346928204.db2.gz FKFVYJSMYBWUDP-OUAUKWLOSA-N 0 0 213.321 2.216 10 0 BEAERN Cc1ccc(C)c([C@@H]2CC[C@H](C(=O)[O-])[NH2+]2)c1 ZINC000083011537 178497973 /nfs/dbraw/zinc/49/79/73/178497973.db2.gz GZJZWIFWFXHNBV-NWDGAFQWSA-N 0 0 219.284 2.181 10 0 BEAERN CCSc1nc2c(c(=O)[nH]1)CS[C@@H]2C ZINC000143390443 343124295 /nfs/dbraw/zinc/12/42/95/343124295.db2.gz SOXJPKLYDSRGKF-RXMQYKEDSA-N 0 0 228.342 2.190 10 0 BEAERN C[C@@H](O)c1nnc2ccc(F)cc2c1Cl ZINC000143559435 343125761 /nfs/dbraw/zinc/12/57/61/343125761.db2.gz HTJINDYYYRSKLA-RXMQYKEDSA-N 0 0 226.638 2.476 10 0 BEAERN Clc1nccnc1NCc1ccco1 ZINC000043537547 343133073 /nfs/dbraw/zinc/13/30/73/343133073.db2.gz LOAKUNBNMDLCEP-UHFFFAOYSA-N 0 0 209.636 2.335 10 0 BEAERN C[C@@H](Nc1nccnc1Cl)[C@H]1CCCO1 ZINC000043537751 343133152 /nfs/dbraw/zinc/13/31/52/343133152.db2.gz MSKSHJQIXDVJRG-HTQZYQBOSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1ccsc1[C@@H]1NC(=O)[C@@H]2CCCCN12 ZINC000124839733 136271424 /nfs/dbraw/zinc/27/14/24/136271424.db2.gz HVBJPPXGSOFAKJ-GXSJLCMTSA-N 0 0 236.340 2.039 10 0 BEAERN CCOC(=O)c1cnnc(-c2cccc(F)c2)c1 ZINC000259967799 343141027 /nfs/dbraw/zinc/14/10/27/343141027.db2.gz VHASWQXRTNUZKM-UHFFFAOYSA-N 0 0 246.241 2.459 10 0 BEAERN COc1ccc(C[C@@H](O)C(C)C)cc1OC ZINC000037658246 343144143 /nfs/dbraw/zinc/14/41/43/343144143.db2.gz WWNSFUDOFYBBAP-LLVKDONJSA-N 0 0 224.300 2.263 10 0 BEAERN COc1ccc(C[C@H](O)C(C)C)cc1OC ZINC000037658247 343144420 /nfs/dbraw/zinc/14/44/20/343144420.db2.gz WWNSFUDOFYBBAP-NSHDSACASA-N 0 0 224.300 2.263 10 0 BEAERN COC(=O)[C@H](c1nccs1)c1ccccc1 ZINC000096584335 343155254 /nfs/dbraw/zinc/15/52/54/343155254.db2.gz QYVWRZQRHVBPFT-JTQLQIEISA-N 0 0 233.292 2.448 10 0 BEAERN Ic1nccc2occc21 ZINC000149526643 343196641 /nfs/dbraw/zinc/19/66/41/343196641.db2.gz LSMMEYUVBHEPND-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN NN=Cc1cc(Cl)ccc1Br ZINC000378970993 346930864 /nfs/dbraw/zinc/93/08/64/346930864.db2.gz HMFFLIUMDOZORR-UHFFFAOYSA-N 0 0 233.496 2.395 10 0 BEAERN CC(=O)Oc1ccc(C(=O)C(F)F)cc1 ZINC000145163435 343192769 /nfs/dbraw/zinc/19/27/69/343192769.db2.gz UNFPICNBXBWQKZ-UHFFFAOYSA-N 0 0 214.167 2.060 10 0 BEAERN CC(C)=CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046495364 343224185 /nfs/dbraw/zinc/22/41/85/343224185.db2.gz ZAURKCXQHAHYLJ-RYUDHWBXSA-N 0 0 223.316 2.123 10 0 BEAERN CC(=O)Nc1ccc2c(=O)cc(C)oc2c1 ZINC000238117861 343250750 /nfs/dbraw/zinc/25/07/50/343250750.db2.gz IBUBWQQWWKFPSU-UHFFFAOYSA-N 0 0 217.224 2.060 10 0 BEAERN Cc1nc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n[nH]1 ZINC000163784324 136288526 /nfs/dbraw/zinc/28/85/26/136288526.db2.gz ZWMDRJOHYVEQIQ-MNOVXSKESA-N 0 0 248.330 2.268 10 0 BEAERN Cc1cccc(CNC(=O)c2cccc(O)c2)n1 ZINC000051577133 343258848 /nfs/dbraw/zinc/25/88/48/343258848.db2.gz JTUQFWJQACLJNM-UHFFFAOYSA-N 0 0 242.278 2.026 10 0 BEAERN CCC(=O)N1CCC(=O)c2ccccc21 ZINC000034306524 343267871 /nfs/dbraw/zinc/26/78/71/343267871.db2.gz UTPHMONIFDWUQI-UHFFFAOYSA-N 0 0 203.241 2.016 10 0 BEAERN COc1ccc([C@@H](O)c2ccccc2OC)cn1 ZINC000034343812 343268255 /nfs/dbraw/zinc/26/82/55/343268255.db2.gz LVMVWNPYMLAUPI-CQSZACIVSA-N 0 0 245.278 2.181 10 0 BEAERN C[C@H](O)c1ccccc1I ZINC000034336866 343268494 /nfs/dbraw/zinc/26/84/94/343268494.db2.gz CAHJBZUREGQOFC-LURJTMIESA-N 0 0 248.063 2.345 10 0 BEAERN CC[C@@H](O)c1cc(OC)c(OC)cc1OC ZINC000034444773 343271176 /nfs/dbraw/zinc/27/11/76/343271176.db2.gz NHBUFOXGCPTIOH-SECBINFHSA-N 0 0 226.272 2.156 10 0 BEAERN COC(=O)Cc1cccc2cc(C(C)=O)oc21 ZINC000034483091 343272454 /nfs/dbraw/zinc/27/24/54/343272454.db2.gz RARYRLFZBOQPLU-UHFFFAOYSA-N 0 0 232.235 2.351 10 0 BEAERN Cn1c(CO)nc2ccc(-c3ccccc3)nc21 ZINC000034522130 343274266 /nfs/dbraw/zinc/27/42/66/343274266.db2.gz GLJSGIHKBLTSIZ-UHFFFAOYSA-N 0 0 239.278 2.128 10 0 BEAERN O=C(c1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 ZINC000034744901 343277707 /nfs/dbraw/zinc/27/77/07/343277707.db2.gz GARMVNNMISTRNR-CYBMUJFWSA-N 0 0 244.246 2.014 10 0 BEAERN C#Cc1c(N)c(CC)cc(C(=O)OC)c1Cl ZINC000217509187 343279125 /nfs/dbraw/zinc/27/91/25/343279125.db2.gz PKOPQSREPPPEAF-UHFFFAOYSA-N 0 0 237.686 2.253 10 0 BEAERN Nc1ccc(NCCc2cccs2)nc1 ZINC000034939610 343281264 /nfs/dbraw/zinc/28/12/64/343281264.db2.gz HFWYEWGEOXHGNV-UHFFFAOYSA-N 0 0 219.313 2.380 10 0 BEAERN O[C@H](CCc1ccc2c(c1)OCO2)C1CC1 ZINC000146160292 343282317 /nfs/dbraw/zinc/28/23/17/343282317.db2.gz SBCVLOYZFITICR-LLVKDONJSA-N 0 0 220.268 2.119 10 0 BEAERN COc1ccc(N)c(Br)c1C ZINC000036456539 343319268 /nfs/dbraw/zinc/31/92/68/343319268.db2.gz RRMAXPPCXXWDLK-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN Cn1ccnc1CN[C@@H]1CCc2ccccc21 ZINC000036878819 343326316 /nfs/dbraw/zinc/32/63/16/343326316.db2.gz XGEABACVOSBNNO-CYBMUJFWSA-N 0 0 227.311 2.197 10 0 BEAERN Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1 ZINC000036903974 343327145 /nfs/dbraw/zinc/32/71/45/343327145.db2.gz JOHXAKCOEPRCGC-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CC(C)(C)OC(=O)NCC1CCC(CO)CC1 ZINC000035287609 343292505 /nfs/dbraw/zinc/29/25/05/343292505.db2.gz KSXPGASLEFGROT-UHFFFAOYSA-N 0 0 243.347 2.310 10 0 BEAERN Clc1n[nH]c2ncc(Br)cc12 ZINC000035576254 343298535 /nfs/dbraw/zinc/29/85/35/343298535.db2.gz PLNKDEHFLSRSCJ-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN CNc1ncnc(SC(C)C)c1OC ZINC000134963270 343298594 /nfs/dbraw/zinc/29/85/94/343298594.db2.gz WVSMZNLZXPBGRF-UHFFFAOYSA-N 0 0 213.306 2.027 10 0 BEAERN CCOC(=O)[C@@H](O)c1ccc(-n2cccc2)cc1 ZINC000146505578 343302385 /nfs/dbraw/zinc/30/23/85/343302385.db2.gz ZUVYRRBBSOUNGX-ZDUSSCGKSA-N 0 0 245.278 2.074 10 0 BEAERN C[Si](C)(C)c1cc(Cl)nc2c1CCO2 ZINC000200679294 343305034 /nfs/dbraw/zinc/30/50/34/343305034.db2.gz DSEPFQJLQQCVAE-UHFFFAOYSA-N 0 0 227.767 2.215 10 0 BEAERN CCCc1oc(-c2ccccc2)nc1O ZINC000139352849 343308964 /nfs/dbraw/zinc/30/89/64/343308964.db2.gz GBPGUHKFEYNKMQ-JTQLQIEISA-N 0 0 203.241 2.159 10 0 BEAERN CCOC(=O)/C=C/C=C\Br ZINC000038251937 343373335 /nfs/dbraw/zinc/37/33/35/343373335.db2.gz PNMILZVBDACFSN-UZNMPDEFSA-N 0 0 205.051 2.014 10 0 BEAERN COc1cc(C(C)=O)ccc1-n1cnc(C)c1 ZINC000038540409 343376725 /nfs/dbraw/zinc/37/67/25/343376725.db2.gz GOKZBCFLLHNXSX-UHFFFAOYSA-N 0 0 230.267 2.392 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](CC)Cc1ccccc1 ZINC000037374424 343343871 /nfs/dbraw/zinc/34/38/71/343343871.db2.gz IXOOETMRTKJMMR-LBPRGKRZSA-N 0 0 221.300 2.372 10 0 BEAERN c1nc2ncnc(NCCC3CCCC3)c2[nH]1 ZINC000037501189 343347741 /nfs/dbraw/zinc/34/77/41/343347741.db2.gz RQZXDQQGWAYULR-UHFFFAOYSA-N 0 0 231.303 2.345 10 0 BEAERN O=C1C(=O)C(Cl)(Cl)C(Cl)=C1Cl ZINC000037631608 343350048 /nfs/dbraw/zinc/35/00/48/343350048.db2.gz BAYUJAUZISTMMN-UHFFFAOYSA-N 0 0 233.865 2.001 10 0 BEAERN COc1cc2c(c(Cl)c1OC)COC2=O ZINC000147635739 343378502 /nfs/dbraw/zinc/37/85/02/343378502.db2.gz YKCOVCPBGNPSHB-UHFFFAOYSA-N 0 0 228.631 2.028 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CNc1ccccc1Cl ZINC000072094697 343354923 /nfs/dbraw/zinc/35/49/23/343354923.db2.gz LADSJYWEWLGSEP-KWQFWETISA-N 0 0 238.718 2.277 10 0 BEAERN Cc1ccc(CC(=O)N2[C@@H](C)COC[C@@H]2C)cc1 ZINC000130391410 178518273 /nfs/dbraw/zinc/51/82/73/178518273.db2.gz APLDGEHNKNGAEC-STQMWFEESA-N 0 0 247.338 2.173 10 0 BEAERN CCc1nc2ccccc2c(N(C)C)n1 ZINC000039100661 343383876 /nfs/dbraw/zinc/38/38/76/343383876.db2.gz OITGVDJRIUOIQY-UHFFFAOYSA-N 0 0 201.273 2.258 10 0 BEAERN CCc1cc(C)n(-c2ccc(CCO)cc2)n1 ZINC000039102964 343384452 /nfs/dbraw/zinc/38/44/52/343384452.db2.gz FYAVZDMLDSLZJB-UHFFFAOYSA-N 0 0 230.311 2.278 10 0 BEAERN CON(C)C(=O)CCCc1ccc(C)cc1 ZINC000039110293 343385252 /nfs/dbraw/zinc/38/52/52/343385252.db2.gz ZCQTZHDNVGYGBH-UHFFFAOYSA-N 0 0 221.300 2.338 10 0 BEAERN CCCc1nn(C)c(NN)c1-c1ccccc1 ZINC000039111229 343385435 /nfs/dbraw/zinc/38/54/35/343385435.db2.gz WRMCVKAKNUCTCZ-UHFFFAOYSA-N 0 0 230.315 2.325 10 0 BEAERN O=C(c1cccc2ccccc21)N1CC[C@@H](O)C1 ZINC000039171074 343386525 /nfs/dbraw/zinc/38/65/25/343386525.db2.gz PGJVZNIOHNJXEP-GFCCVEGCSA-N 0 0 241.290 2.047 10 0 BEAERN CC[C@H]1OCC[C@H]1c1nc(Cl)no1 ZINC000234125200 343424539 /nfs/dbraw/zinc/42/45/39/343424539.db2.gz QHPMRJYEJDOAMK-PHDIDXHHSA-N 0 0 202.641 2.006 10 0 BEAERN CCCc1cc(NC(=O)c2ccccc2O)n[nH]1 ZINC000109912069 343405833 /nfs/dbraw/zinc/40/58/33/343405833.db2.gz GZIIBIQVUCZQDL-UHFFFAOYSA-N 0 0 245.282 2.320 10 0 BEAERN C[C@H](CCCC(N)=O)C[C@@H](O)C(C)(C)C ZINC000202234597 343415407 /nfs/dbraw/zinc/41/54/07/343415407.db2.gz BVWAQEKZUPVHIY-NXEZZACHSA-N 0 0 215.337 2.075 10 0 BEAERN NC(=O)c1c2ccccc2nnc1-c1ccccc1 ZINC000149410358 343426049 /nfs/dbraw/zinc/42/60/49/343426049.db2.gz IQBHOMZJHZZDBZ-UHFFFAOYSA-N 0 0 249.273 2.396 10 0 BEAERN Cc1nc(C)c(NC(=O)[C@@H]2CC[C@@H](C)O2)s1 ZINC000335709229 136337046 /nfs/dbraw/zinc/33/70/46/136337046.db2.gz AUJIBWXRKKMUJL-MUWHJKNJSA-N 0 0 240.328 2.266 10 0 BEAERN Cc1nsc(C)c1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000335897107 136359143 /nfs/dbraw/zinc/35/91/43/136359143.db2.gz LIUWDVRSLJDRCU-VHSXEESVSA-N 0 0 236.340 2.384 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)cc1O ZINC000309433966 343442768 /nfs/dbraw/zinc/44/27/68/343442768.db2.gz GSDKUBACAFWPGT-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN CCc1nsc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000083653131 343494280 /nfs/dbraw/zinc/49/42/80/343494280.db2.gz YPGJOTWKVKNQPA-HTQZYQBOSA-N 0 0 227.333 2.080 10 0 BEAERN CCOC(=O)c1c(C)cc2c(c1C)COC2=O ZINC000261172106 349814982 /nfs/dbraw/zinc/81/49/82/349814982.db2.gz ANDTYPGORDYARJ-UHFFFAOYSA-N 0 0 234.251 2.151 10 0 BEAERN Cc1ccc2nc([S@@](C)=O)sc2c1 ZINC000045238156 343527181 /nfs/dbraw/zinc/52/71/81/343527181.db2.gz RNIMZHKFVGJLQH-ZDUSSCGKSA-N 0 0 211.311 2.342 10 0 BEAERN CC(=O)N1CCOCC[C@H]1c1cccc(F)c1 ZINC000616656174 343532104 /nfs/dbraw/zinc/53/21/04/343532104.db2.gz LLUWMHCRWQUWOY-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN Cc1ccccc1N1CCC2(CC1)OCCO2 ZINC000164462171 343542545 /nfs/dbraw/zinc/54/25/45/343542545.db2.gz COJDMEXKIGSCKW-UHFFFAOYSA-N 0 0 233.311 2.338 10 0 BEAERN COC(=O)c1ccc(-c2ocnc2C)cc1 ZINC000203765017 343544852 /nfs/dbraw/zinc/54/48/52/343544852.db2.gz ZLBUVVWBADPVMX-UHFFFAOYSA-N 0 0 217.224 2.437 10 0 BEAERN CCCCN(C)C(=O)c1n[nH]c2ccc(N)cc21 ZINC000048277754 343575419 /nfs/dbraw/zinc/57/54/19/343575419.db2.gz YDXIFMXUYVODIN-UHFFFAOYSA-N 0 0 246.314 2.017 10 0 BEAERN NNCCc1ccc(-c2ccccc2)cc1 ZINC000019167801 343554317 /nfs/dbraw/zinc/55/43/17/343554317.db2.gz ILZVZBIRBLICEX-UHFFFAOYSA-N 0 0 212.296 2.359 10 0 BEAERN Cc1ccc(C)c2c(N)c(C(=O)[O-])c[nH+]c12 ZINC000047913057 343567393 /nfs/dbraw/zinc/56/73/93/343567393.db2.gz VXQPZHNTVKJZNK-UHFFFAOYSA-N 0 0 216.240 2.132 10 0 BEAERN N[C@H](c1cnns1)c1ccc(Cl)cc1 ZINC000135042491 343587860 /nfs/dbraw/zinc/58/78/60/343587860.db2.gz RXZJBEJVPASMDB-VIFPVBQESA-N 0 0 225.704 2.240 10 0 BEAERN Fc1ccccc1Cc1nnc(Cl)o1 ZINC000157784136 343616489 /nfs/dbraw/zinc/61/64/89/343616489.db2.gz SFZVYQNUWIYZGI-UHFFFAOYSA-N 0 0 212.611 2.453 10 0 BEAERN CCOC(=O)/C=C(\OC)c1ccccc1 ZINC000204889195 343600744 /nfs/dbraw/zinc/60/07/44/343600744.db2.gz ROFWCAULVGPCLM-LUAWRHEFSA-N 0 0 206.241 2.237 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCC12CCC2 ZINC000335866366 344035802 /nfs/dbraw/zinc/03/58/02/344035802.db2.gz XQSQAYSENDWJSE-VXGBXAGGSA-N 0 0 237.343 2.347 10 0 BEAERN CCN(C)c1ccc(Cl)cc1C(N)=S ZINC000052858077 343640700 /nfs/dbraw/zinc/64/07/00/343640700.db2.gz MEMNROBXALFSBV-UHFFFAOYSA-N 0 0 228.748 2.430 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCC12CCC2 ZINC000335866363 344036052 /nfs/dbraw/zinc/03/60/52/344036052.db2.gz XQSQAYSENDWJSE-NEPJUHHUSA-N 0 0 237.343 2.347 10 0 BEAERN FC(F)(F)c1ccc(Cn2nccn2)cc1 ZINC000196371099 343630870 /nfs/dbraw/zinc/63/08/70/343630870.db2.gz KWNPDVLFNHOJGZ-UHFFFAOYSA-N 0 0 227.189 2.345 10 0 BEAERN COC[C@@H](C)Nc1cc(C)cnc1Cl ZINC000234670924 343630960 /nfs/dbraw/zinc/63/09/60/343630960.db2.gz RROCQPHFYPFEGN-MRVPVSSYSA-N 0 0 214.696 2.490 10 0 BEAERN CCOC(=O)c1cn(C2CC2)nc1C(F)(F)F ZINC000205583041 343633695 /nfs/dbraw/zinc/63/36/95/343633695.db2.gz MXWKCKHXTCYRPL-UHFFFAOYSA-N 0 0 248.204 2.414 10 0 BEAERN C[C@@H]1C[C@H](C)n2nc3c(c2N1)CCCN3 ZINC000300025660 537801306 /nfs/dbraw/zinc/80/13/06/537801306.db2.gz ILNMZDQWVRVPTN-SFYZADRCSA-N 0 0 206.293 2.006 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@H](C)C2 ZINC000300026627 537801374 /nfs/dbraw/zinc/80/13/74/537801374.db2.gz JWPZGVPSEGFLOH-HGNGGELXSA-N 0 0 218.680 2.074 10 0 BEAERN CC[C@@H]1CCCC[C@]12O[C@]2(Cl)C(=O)OC ZINC000300028411 537801752 /nfs/dbraw/zinc/80/17/52/537801752.db2.gz MUFMKMLAROXLPA-DVVUODLYSA-N 0 0 232.707 2.464 10 0 BEAERN CO[C@H](C)c1ncc(Br)c(=S)[nH]1 ZINC000234782233 343657276 /nfs/dbraw/zinc/65/72/76/343657276.db2.gz TUYUQCTZVLHCLL-SCSAIBSYSA-N 0 0 249.133 2.235 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@H](C)C[C@H]2C ZINC000300029497 537802165 /nfs/dbraw/zinc/80/21/65/537802165.db2.gz OSJFJDMRFJJURS-OEIWMXHLSA-N 0 0 232.707 2.320 10 0 BEAERN COC(=O)c1nc(C)ccc1OC(F)(F)F ZINC000309518743 343662390 /nfs/dbraw/zinc/66/23/90/343662390.db2.gz WWYFTYPPISOETG-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN O=C(CCc1ccccc1)N[C@H]1CCC[C@H](O)C1 ZINC000077102762 343665809 /nfs/dbraw/zinc/66/58/09/343665809.db2.gz KJTYDYJPXRBMPW-KBPBESRZSA-N 0 0 247.338 2.039 10 0 BEAERN Cc1ccc(NC(=O)N[C@H]2CCC[C@H](O)C2)cc1 ZINC000077103032 343666766 /nfs/dbraw/zinc/66/67/66/343666766.db2.gz FDHGZYBTCUPUIM-STQMWFEESA-N 0 0 248.326 2.420 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CC(C)(C)C[C@H]2C ZINC000300062924 537803682 /nfs/dbraw/zinc/80/36/82/537803682.db2.gz PCHBNHYDPCTXGS-JFUSQASVSA-N 0 0 212.289 2.143 10 0 BEAERN CCn1cc([C@@H]2NCC[C@H](C)S2)cn1 ZINC000234221976 343709532 /nfs/dbraw/zinc/70/95/32/343709532.db2.gz YVPFWGIUFOELHT-WCBMZHEXSA-N 0 0 211.334 2.017 10 0 BEAERN CNc1ncc(C)c(NCc2ccccc2)n1 ZINC000128360078 346953992 /nfs/dbraw/zinc/95/39/92/346953992.db2.gz ZHQZGNPQKIJRBU-UHFFFAOYSA-N 0 0 228.299 2.439 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cccnn1 ZINC000616613435 349837410 /nfs/dbraw/zinc/83/74/10/349837410.db2.gz YNMJTQIEPHEGLY-LLVKDONJSA-N 0 0 235.287 2.160 10 0 BEAERN CSCCC(=O)Nc1ncccc1C ZINC000058585447 343700760 /nfs/dbraw/zinc/70/07/60/343700760.db2.gz NLANPPQXZVUJBY-UHFFFAOYSA-N 0 0 210.302 2.082 10 0 BEAERN FC(F)C(F)(F)CNC1N=NC(=S)S1 ZINC000230718418 346955363 /nfs/dbraw/zinc/95/53/63/346955363.db2.gz OFSFECHHZGZJRG-UHFFFAOYSA-N 0 0 247.242 2.139 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000300033227 537802777 /nfs/dbraw/zinc/80/27/77/537802777.db2.gz WYEHYWGPUYUNIV-HZQMYPQZSA-N 0 0 232.707 2.320 10 0 BEAERN CON(C)Cc1cc(N)ccc1Br ZINC000165565115 343747066 /nfs/dbraw/zinc/74/70/66/343747066.db2.gz CDFUVSRFPLXRLE-UHFFFAOYSA-N 0 0 245.120 2.025 10 0 BEAERN CNc1nnc(-c2sccc2Cl)n1C ZINC000159011858 346969009 /nfs/dbraw/zinc/96/90/09/346969009.db2.gz IHOPRJFVPHNDFN-UHFFFAOYSA-N 0 0 228.708 2.239 10 0 BEAERN Cc1nc(N)cc(-c2cccc(F)c2)n1 ZINC000044262526 343780905 /nfs/dbraw/zinc/78/09/05/343780905.db2.gz PDIMLTKELUABQM-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN CCn1cc(C=O)c(-c2ccsc2)n1 ZINC000050339154 343781577 /nfs/dbraw/zinc/78/15/77/343781577.db2.gz JZSIGHOFGKAAEZ-UHFFFAOYSA-N 0 0 206.270 2.444 10 0 BEAERN CN(C)c1cc(Br)c(F)cc1N ZINC000159014518 346971613 /nfs/dbraw/zinc/97/16/13/346971613.db2.gz YDNDKHHAZZUKAV-UHFFFAOYSA-N 0 0 233.084 2.236 10 0 BEAERN CCOc1ccccc1[C@H]1NCCS1 ZINC000050522791 343782173 /nfs/dbraw/zinc/78/21/73/343782173.db2.gz KOIWYOILQBSDGR-NSHDSACASA-N 0 0 209.314 2.420 10 0 BEAERN O=Cc1cc(-c2cncnc2)ccc1F ZINC000052886570 343789640 /nfs/dbraw/zinc/78/96/40/343789640.db2.gz LKFBOMLYCVPLQB-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN CCOC[C@H]1CCCCN1c1ccc(N)cn1 ZINC000313271537 343791100 /nfs/dbraw/zinc/79/11/00/343791100.db2.gz OONVNBLZBROUCP-GFCCVEGCSA-N 0 0 235.331 2.059 10 0 BEAERN Cc1ccc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+]2C)cc1 ZINC000212764882 343791788 /nfs/dbraw/zinc/79/17/88/343791788.db2.gz PMZAEKUGYPJACC-NEPJUHHUSA-N 0 0 219.284 2.072 10 0 BEAERN CCn1nc(-c2cccs2)cc1C=O ZINC000213462237 343792271 /nfs/dbraw/zinc/79/22/71/343792271.db2.gz DXXBJABOXRDDOP-UHFFFAOYSA-N 0 0 206.270 2.444 10 0 BEAERN COC(=O)c1c[nH]c(-c2sccc2C)n1 ZINC000051171023 346976205 /nfs/dbraw/zinc/97/62/05/346976205.db2.gz GHAPJNHEZPHOLJ-UHFFFAOYSA-N 0 0 222.269 2.233 10 0 BEAERN Cc1ccc(-c2cc(=O)[nH]c(C)n2)cc1C ZINC000235881083 343795390 /nfs/dbraw/zinc/79/53/90/343795390.db2.gz WYOSXFUTTICSBA-UHFFFAOYSA-N 0 0 214.268 2.362 10 0 BEAERN CCOC[C@@H]1CCCN1c1nccnc1Cl ZINC000409426681 343798363 /nfs/dbraw/zinc/79/83/63/343798363.db2.gz IMLBHYTVXJZUPB-VIFPVBQESA-N 0 0 241.722 2.135 10 0 BEAERN O=C([O-])C1CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC000409426642 343798539 /nfs/dbraw/zinc/79/85/39/343798539.db2.gz IJXCFITVECUFKC-UNXYVOJBSA-N 0 0 243.322 2.311 10 0 BEAERN CC(C)c1ccc(-n2c(=O)cc[nH]c2=O)cc1 ZINC000409427280 343800530 /nfs/dbraw/zinc/80/05/30/343800530.db2.gz IRXPISRYPJHVRE-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+]1CC=C(c2ccccc2)CC1 ZINC000409428377 343803237 /nfs/dbraw/zinc/80/32/37/343803237.db2.gz MWLSJUIBHXKFMJ-LLVKDONJSA-N 0 0 231.295 2.249 10 0 BEAERN Nc1ccc2cn(CCCCF)nc2c1 ZINC000238622560 537820452 /nfs/dbraw/zinc/82/04/52/537820452.db2.gz VGYRBFJVAFLKHL-UHFFFAOYSA-N 0 0 207.252 2.368 10 0 BEAERN C[C@H]1C[C@H](n2cc(CO)nn2)CC(C)(C)C1 ZINC000409422324 343813343 /nfs/dbraw/zinc/81/33/43/343813343.db2.gz CLXWPXUJXFBJJU-ONGXEEELSA-N 0 0 223.320 2.158 10 0 BEAERN C[C@@H]1C[C@@H](n2cc(CO)nn2)CC(C)(C)C1 ZINC000409422323 343813420 /nfs/dbraw/zinc/81/34/20/343813420.db2.gz CLXWPXUJXFBJJU-MWLCHTKSSA-N 0 0 223.320 2.158 10 0 BEAERN FC1CCN(c2cc(Cl)ncn2)CC1 ZINC000409422351 343813470 /nfs/dbraw/zinc/81/34/70/343813470.db2.gz CUDXYSCMTMBXQW-UHFFFAOYSA-N 0 0 215.659 2.068 10 0 BEAERN Cc1cccc(Cc2cc(=O)[nH]cn2)c1 ZINC000409431642 343823977 /nfs/dbraw/zinc/82/39/77/343823977.db2.gz RRCJNMOMQXLFLZ-UHFFFAOYSA-N 0 0 200.241 2.081 10 0 BEAERN C[C@H](Oc1ccccc1)c1cc(=O)[nH]cn1 ZINC000409431585 343823990 /nfs/dbraw/zinc/82/39/90/343823990.db2.gz RHKWDPFFFVTYKX-VIFPVBQESA-N 0 0 216.240 2.322 10 0 BEAERN O=c1cc(Cc2ccccc2Cl)[nH]c(=O)[nH]1 ZINC000409432172 343825758 /nfs/dbraw/zinc/82/57/58/343825758.db2.gz UROBTEHJBGGEPM-UHFFFAOYSA-N 0 0 236.658 2.132 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409433138 343826438 /nfs/dbraw/zinc/82/64/38/343826438.db2.gz XOKWTEVRYDTKAW-KXUCPTDWSA-N 0 0 247.285 2.217 10 0 BEAERN O=C1CC(COc2ncccc2Cl)C1 ZINC000409432568 343826903 /nfs/dbraw/zinc/82/69/03/343826903.db2.gz ORPUAKOPQDHMMT-UHFFFAOYSA-N 0 0 211.648 2.093 10 0 BEAERN O=C([O-])C1CCC([N@@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000409429844 343806630 /nfs/dbraw/zinc/80/66/30/343806630.db2.gz PLFXAGKMSXKDLM-KYHHOPLUSA-N 0 0 247.285 2.217 10 0 BEAERN Brc1cc([C@H]2CCCO2)ncn1 ZINC000409430734 343809282 /nfs/dbraw/zinc/80/92/82/343809282.db2.gz NBPIPGPMVYQPFM-SSDOTTSWSA-N 0 0 229.077 2.091 10 0 BEAERN O[C@H](c1cccnc1)C1CCSCC1 ZINC000390016704 343810586 /nfs/dbraw/zinc/81/05/86/343810586.db2.gz WXOLWFGHTWPRSA-NSHDSACASA-N 0 0 209.314 2.258 10 0 BEAERN C[C@@H]1CN(c2cc(Cl)nnc2Cl)CCO1 ZINC000127215652 344041375 /nfs/dbraw/zinc/04/13/75/344041375.db2.gz CXSMPLPPKHDKGF-ZCFIWIBFSA-N 0 0 248.113 2.009 10 0 BEAERN O=Cc1c(-c2cccnc2)n[nH]c1C1CC1 ZINC000409440710 343853600 /nfs/dbraw/zinc/85/36/00/343853600.db2.gz ODTPTABQVJRPBX-UHFFFAOYSA-N 0 0 213.240 2.162 10 0 BEAERN CCCn1c(-c2ccccn2)cc(=S)[nH]c1=O ZINC000409440027 343854057 /nfs/dbraw/zinc/85/40/57/343854057.db2.gz VGFJRSVLHCJDIE-UHFFFAOYSA-N 0 0 247.323 2.004 10 0 BEAERN CC(C)c1[nH]nc(C2CCC2)c1CCO ZINC000409441041 343855126 /nfs/dbraw/zinc/85/51/26/343855126.db2.gz PLFXQKUCKSBKCG-UHFFFAOYSA-N 0 0 208.305 2.335 10 0 BEAERN CC(C)Cc1[nH]nc(C2CC2)c1CCO ZINC000409442139 343857481 /nfs/dbraw/zinc/85/74/81/343857481.db2.gz WXPBEUXLDXTJAP-UHFFFAOYSA-N 0 0 208.305 2.020 10 0 BEAERN Nc1cc(-c2cnccn2)nn1C1CCCC1 ZINC000409437375 343843036 /nfs/dbraw/zinc/84/30/36/343843036.db2.gz GKSQVMCVIWETQW-UHFFFAOYSA-N 0 0 229.287 2.037 10 0 BEAERN COC(=N)CCc1c[nH]nc1CC(C)C ZINC000409438665 343844859 /nfs/dbraw/zinc/84/48/59/343844859.db2.gz DSTFWJCPVURETR-UHFFFAOYSA-N 0 0 209.293 2.164 10 0 BEAERN CC(C)n1c(=O)[nH]c(=S)cc1-c1ccccn1 ZINC000409438910 343845733 /nfs/dbraw/zinc/84/57/33/343845733.db2.gz PKYAYKIQWMZZHC-UHFFFAOYSA-N 0 0 247.323 2.175 10 0 BEAERN CCn1nc(-c2cnccn2)c2c1CCSC2 ZINC000409439001 343845879 /nfs/dbraw/zinc/84/58/79/343845879.db2.gz NMOZXQYCPSJGKV-UHFFFAOYSA-N 0 0 246.339 2.149 10 0 BEAERN COC(=O)CCc1c(C)[nH]nc1-c1ccco1 ZINC000409437880 343849374 /nfs/dbraw/zinc/84/93/74/343849374.db2.gz ATSHAZHMZFWSJK-UHFFFAOYSA-N 0 0 234.255 2.084 10 0 BEAERN OCc1cn(CCF)nc1-c1ccccc1 ZINC000409440502 343852446 /nfs/dbraw/zinc/85/24/46/343852446.db2.gz UDBWPVOMRSPSTQ-UHFFFAOYSA-N 0 0 220.247 2.012 10 0 BEAERN O=C(c1cnn(C2CCC2)c1)C(F)(F)F ZINC000585142754 343876846 /nfs/dbraw/zinc/87/68/46/343876846.db2.gz AXZOSMHTUMVTOH-UHFFFAOYSA-N 0 0 218.178 2.353 10 0 BEAERN CCc1[nH]nc(-c2ccccc2)c1C=O ZINC000409442270 343857798 /nfs/dbraw/zinc/85/77/98/343857798.db2.gz YILMMCUVKREYFE-UHFFFAOYSA-N 0 0 200.241 2.452 10 0 BEAERN C[C@H](O)c1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000409442371 343857907 /nfs/dbraw/zinc/85/79/07/343857907.db2.gz VBOAEYWMPGMFJI-YFKPBYRVSA-N 0 0 224.647 2.042 10 0 BEAERN CC(C)Cc1[nH]nc(C(C)C)c1CCC(N)=O ZINC000409442419 343858685 /nfs/dbraw/zinc/85/86/85/343858685.db2.gz ZSKAZGQAQBZTCY-UHFFFAOYSA-N 0 0 237.347 2.150 10 0 BEAERN CCc1ccc(Cn2cc(C)c(N)n2)s1 ZINC000069760366 537831848 /nfs/dbraw/zinc/83/18/48/537831848.db2.gz PKHFGZYGYHCHNJ-UHFFFAOYSA-N 0 0 221.329 2.446 10 0 BEAERN O=Cc1cc(-c2ccncc2)nn1C(F)F ZINC000409442847 343864738 /nfs/dbraw/zinc/86/47/38/343864738.db2.gz BYWHRYJXNYPQEA-UHFFFAOYSA-N 0 0 223.182 2.153 10 0 BEAERN Cc1ccccc1Cn1cc(Cl)c(N)n1 ZINC000069759574 537831685 /nfs/dbraw/zinc/83/16/85/537831685.db2.gz FBPAONHYBRGENL-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN O=Cc1cc(-c2ccncc2)nn1CC1CC1 ZINC000409442928 343865114 /nfs/dbraw/zinc/86/51/14/343865114.db2.gz DJCFECYDQBDJIO-UHFFFAOYSA-N 0 0 227.267 2.168 10 0 BEAERN COC(=N)c1cc(-c2ccsc2)nn1C ZINC000409443222 343866193 /nfs/dbraw/zinc/86/61/93/343866193.db2.gz JHEJRUUWCCKOKQ-UHFFFAOYSA-N 0 0 221.285 2.120 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C ZINC000113048152 537830555 /nfs/dbraw/zinc/83/05/55/537830555.db2.gz ABUPJBWQVITJLQ-DTORHVGOSA-N 0 0 215.293 2.031 10 0 BEAERN CC(C)Cn1nc(-c2ccncc2)cc1C=O ZINC000409443476 343867149 /nfs/dbraw/zinc/86/71/49/343867149.db2.gz NPJRLASWBWIPAE-UHFFFAOYSA-N 0 0 229.283 2.414 10 0 BEAERN O=c1cc(-c2cccs2)[nH]c(=O)n1C1CC1 ZINC000575622298 343869349 /nfs/dbraw/zinc/86/93/49/343869349.db2.gz QBEIMRFENFJOSL-UHFFFAOYSA-N 0 0 234.280 2.012 10 0 BEAERN CCOC(=O)c1cc([C@@H](C)CC)ncn1 ZINC000575622017 343870895 /nfs/dbraw/zinc/87/08/95/343870895.db2.gz CPQVUXRMMCQZND-QMMMGPOBSA-N 0 0 208.261 2.167 10 0 BEAERN CCOC(=O)c1cc(-c2ccco2)nc(C)n1 ZINC000575622728 343874871 /nfs/dbraw/zinc/87/48/71/343874871.db2.gz SBVHBGVBURLRFT-UHFFFAOYSA-N 0 0 232.239 2.222 10 0 BEAERN CC[C@H](C)c1cc(C(=O)OC)nc(C)n1 ZINC000575622908 343875262 /nfs/dbraw/zinc/87/52/62/343875262.db2.gz YSBRUOLRMPRZKC-ZETCQYMHSA-N 0 0 208.261 2.085 10 0 BEAERN CO[C@H]1CCC[C@@H](n2cc(Cl)c(N)n2)C1 ZINC000069848539 537834776 /nfs/dbraw/zinc/83/47/76/537834776.db2.gz MOMXIUPNUJERJQ-SFYZADRCSA-N 0 0 229.711 2.249 10 0 BEAERN CO[C@@H]1CCC[C@@H](n2cc(Cl)c(N)n2)C1 ZINC000069848538 537835077 /nfs/dbraw/zinc/83/50/77/537835077.db2.gz MOMXIUPNUJERJQ-HTQZYQBOSA-N 0 0 229.711 2.249 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCCCC[C@H]1C ZINC000069945231 343944379 /nfs/dbraw/zinc/94/43/79/343944379.db2.gz IBQROBJUBKYELI-MNOVXSKESA-N 0 0 213.321 2.360 10 0 BEAERN O=C(Nc1cnoc1)c1ccc(F)cc1 ZINC000060393541 343920643 /nfs/dbraw/zinc/92/06/43/343920643.db2.gz FZEUQWCDIOTIOF-UHFFFAOYSA-N 0 0 206.176 2.066 10 0 BEAERN COC[C@H](C)C(=O)NCCCC(C)(C)C ZINC000126482867 343923446 /nfs/dbraw/zinc/92/34/46/343923446.db2.gz KAERJTAJRVDGLU-JTQLQIEISA-N 0 0 215.337 2.211 10 0 BEAERN CC[C@@H](C)Nc1[nH+]ccc(C)c1C(=O)[O-] ZINC000135218182 343971345 /nfs/dbraw/zinc/97/13/45/343971345.db2.gz ROBBLVHMMWZCAF-MRVPVSSYSA-N 0 0 208.261 2.299 10 0 BEAERN Nc1cc(F)cc(S[C@H]2CCOC2)c1 ZINC000070588933 343952703 /nfs/dbraw/zinc/95/27/03/343952703.db2.gz DLXCJZNSLDQIDP-VIFPVBQESA-N 0 0 213.277 2.289 10 0 BEAERN C[C@@H]1SCC[C@@H]1n1ncc(Cl)c1N ZINC000235328270 343955387 /nfs/dbraw/zinc/95/53/87/343955387.db2.gz JAZKHVDAABHCHG-FSPLSTOPSA-N 0 0 217.725 2.185 10 0 BEAERN COc1cccc(C(=O)c2cc[nH]c2)c1 ZINC000071508203 343964538 /nfs/dbraw/zinc/96/45/38/343964538.db2.gz VJWFMVHHLJMOEZ-UHFFFAOYSA-N 0 0 201.225 2.254 10 0 BEAERN CCc1cnc2c(c(C)nn2C)c1Cl ZINC000071609993 343965352 /nfs/dbraw/zinc/96/53/52/343965352.db2.gz RYAVUWXDDHMMTA-UHFFFAOYSA-N 0 0 209.680 2.493 10 0 BEAERN Cc1occc1-c1nnc(Br)o1 ZINC000157862363 344055252 /nfs/dbraw/zinc/05/52/52/344055252.db2.gz PEARYLGMNNMHQX-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN Cc1ccc(CN[C@@H](C)c2nccnc2C)cn1 ZINC000219100081 178623278 /nfs/dbraw/zinc/62/32/78/178623278.db2.gz SSRSQIGEUIURCL-LBPRGKRZSA-N 0 0 242.326 2.339 10 0 BEAERN CN(C)c1cc(Cl)ccc1C(N)=S ZINC000062787988 347022918 /nfs/dbraw/zinc/02/29/18/347022918.db2.gz LZPATOHZFNUWIJ-UHFFFAOYSA-N 0 0 214.721 2.040 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641299598 362350726 /nfs/dbraw/zinc/35/07/26/362350726.db2.gz UTMOIUWHBNQMPW-MNOVXSKESA-N 0 0 233.315 2.069 10 0 BEAERN O[C@H](c1ccncc1F)[C@H]1CCCS1 ZINC000157424121 344098651 /nfs/dbraw/zinc/09/86/51/344098651.db2.gz LQTBLTHAKWTYRU-NXEZZACHSA-N 0 0 213.277 2.150 10 0 BEAERN Cc1cnn(-c2cc(Cl)nnc2Cl)c1 ZINC000127266082 344099794 /nfs/dbraw/zinc/09/97/94/344099794.db2.gz DKROCTAXIDJHTR-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN C[C@@H]1COC[C@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000130002590 344101644 /nfs/dbraw/zinc/10/16/44/344101644.db2.gz PETGRZZNJLEIHM-PHIMTYICSA-N 0 0 245.326 2.172 10 0 BEAERN Cc1cc(C)c(-n2cc(C=O)nn2)c(C)c1 ZINC000585143410 344178458 /nfs/dbraw/zinc/17/84/58/344178458.db2.gz JQKPURMKKRIELW-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN C=Cc1cnn(Cc2c(C)noc2C)c1 ZINC000585143029 344178690 /nfs/dbraw/zinc/17/86/90/344178690.db2.gz OPPZKCNTJHNMFG-UHFFFAOYSA-N 0 0 203.245 2.179 10 0 BEAERN O[C@H](C[C@@H]1CO1)c1ccccc1Br ZINC000616569367 344170664 /nfs/dbraw/zinc/17/06/64/344170664.db2.gz IUUUNBXDMXUBKF-GMSGAONNSA-N 0 0 243.100 2.271 10 0 BEAERN COC(=O)c1cc2c(Cl)[nH]c(C)cc-2n1 ZINC000218517945 344239685 /nfs/dbraw/zinc/23/96/85/344239685.db2.gz POTTWPNZAZUHAT-UHFFFAOYSA-N 0 0 224.647 2.311 10 0 BEAERN O=C1C[C@H](O)C[C@@H](CCC2CCCCC2)O1 ZINC000027109926 344220607 /nfs/dbraw/zinc/22/06/07/344220607.db2.gz RHIBKORGKVCNTR-VXGBXAGGSA-N 0 0 226.316 2.413 10 0 BEAERN COc1ccc([C@H]2CCC[C@H]2O)cc1F ZINC000055264946 259373965 /nfs/dbraw/zinc/37/39/65/259373965.db2.gz XFUKOCCOUGAMSU-MWLCHTKSSA-N 0 0 210.248 2.463 10 0 BEAERN CCC(=O)[C@@H](C)n1cnc2c1CCCC2 ZINC000127345835 344235902 /nfs/dbraw/zinc/23/59/02/344235902.db2.gz NLENSDJDOLEYMH-SECBINFHSA-N 0 0 206.289 2.302 10 0 BEAERN c1cc2nc(NCc3ccccc3)ccn2n1 ZINC000135342094 344195601 /nfs/dbraw/zinc/19/56/01/344195601.db2.gz QUKOEGIXHQUZGS-UHFFFAOYSA-N 0 0 224.267 2.341 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1cc(C2CC2)ncn1 ZINC000641327854 362365311 /nfs/dbraw/zinc/36/53/11/362365311.db2.gz DKKSBEOZCDQEKO-PWSUYJOCSA-N 0 0 233.315 2.069 10 0 BEAERN CC[C@@H](Nc1cc(C(=O)OC)ncn1)C(C)C ZINC000603279994 349906274 /nfs/dbraw/zinc/90/62/74/349906274.db2.gz JNQXNUAMVAAPPE-SECBINFHSA-N 0 0 237.303 2.110 10 0 BEAERN CCc1[nH]nc2c1ncnc2NCC=C(C)C ZINC000089212075 344245595 /nfs/dbraw/zinc/24/55/95/344245595.db2.gz FEVJPDJGKPGKAQ-UHFFFAOYSA-N 0 0 231.303 2.293 10 0 BEAERN CNc1cc(Br)ccc1C(N)=S ZINC000166002488 344272292 /nfs/dbraw/zinc/27/22/92/344272292.db2.gz JEPBITUAVGQAKT-UHFFFAOYSA-N 0 0 245.145 2.125 10 0 BEAERN C[C@]1(c2nsc(Br)n2)CCCO1 ZINC000166015519 344275222 /nfs/dbraw/zinc/27/52/22/344275222.db2.gz ZNESCENGEZQQME-SSDOTTSWSA-N 0 0 249.133 2.326 10 0 BEAERN Brc1nc(-c2cscn2)ns1 ZINC000166017797 344275605 /nfs/dbraw/zinc/27/56/05/344275605.db2.gz MVAWAJDAIGYSEH-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN Cc1nc(NCC2(CCO)CC2)sc1C ZINC000133026077 344311417 /nfs/dbraw/zinc/31/14/17/344311417.db2.gz LWYSKSSRPLDARI-UHFFFAOYSA-N 0 0 226.345 2.334 10 0 BEAERN O=c1[nH]nc(-c2cc(F)cc(Cl)c2)s1 ZINC000236229348 344324272 /nfs/dbraw/zinc/32/42/72/344324272.db2.gz FWDJAXYDKKSYOS-UHFFFAOYSA-N 0 0 230.651 2.291 10 0 BEAERN NC(=S)c1ccc(N)c2ccccc12 ZINC000236250044 344327400 /nfs/dbraw/zinc/32/74/00/344327400.db2.gz GVJMYILUQSXIHA-UHFFFAOYSA-N 0 0 202.282 2.056 10 0 BEAERN CCCC[C@H](C)c1[nH]nc2ncnc(N)c21 ZINC000095934758 344358147 /nfs/dbraw/zinc/35/81/47/344358147.db2.gz FZVFLFXOICTTOG-ZETCQYMHSA-N 0 0 219.292 2.229 10 0 BEAERN CCc1cn(-c2ccc(C=O)cc2OC)cn1 ZINC000095938052 344358217 /nfs/dbraw/zinc/35/82/17/344358217.db2.gz RJWTUFXPOKOMJS-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN COCc1ccc(Br)c(C#N)c1 ZINC000220008006 344308445 /nfs/dbraw/zinc/30/84/45/344308445.db2.gz XXJVKULKCYSWMG-UHFFFAOYSA-N 0 0 226.073 2.467 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000380581744 344422632 /nfs/dbraw/zinc/42/26/32/344422632.db2.gz IPOCIFZLBHAOGJ-PZWNZHSQSA-N 0 0 207.317 2.289 10 0 BEAERN CCOC(=O)c1c(C)ccc(OC)c1C ZINC000238299004 344384206 /nfs/dbraw/zinc/38/42/06/344384206.db2.gz FNFMWYNZEKZVIL-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN CCCCS(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000097079561 344388765 /nfs/dbraw/zinc/38/87/65/344388765.db2.gz WOGUSUFHBCLESM-JTQLQIEISA-N 0 0 245.344 2.369 10 0 BEAERN CC[C@@]1(c2cccc(O)c2)CCCCNC1=O ZINC000139549925 344403679 /nfs/dbraw/zinc/40/36/79/344403679.db2.gz FBNMGCRGBRDNOW-AWEZNQCLSA-N 0 0 233.311 2.340 10 0 BEAERN CCOC(=O)[C@H]1O[C@@H]1c1ccc(Cl)cc1 ZINC000037633874 344405508 /nfs/dbraw/zinc/40/55/08/344405508.db2.gz FUGNCVSLDARBAA-ZJUUUORDSA-N 0 0 226.659 2.343 10 0 BEAERN CC(C)N1C[C@H](c2nnc[nH]2)Cc2ccccc21 ZINC000616591699 344406075 /nfs/dbraw/zinc/40/60/75/344406075.db2.gz DJQFUXDBZAOVIX-GFCCVEGCSA-N 0 0 242.326 2.359 10 0 BEAERN CCN(CC)c1nsc(Br)n1 ZINC000166032874 344406279 /nfs/dbraw/zinc/40/62/79/344406279.db2.gz GLZZHAXMRDQUHL-UHFFFAOYSA-N 0 0 236.138 2.147 10 0 BEAERN COC(=O)Nc1cccc(NC(=O)OC)c1C ZINC000013438217 344418904 /nfs/dbraw/zinc/41/89/04/344418904.db2.gz JNNLWOJZIPJIQG-UHFFFAOYSA-N 0 0 238.243 2.352 10 0 biogenic BEAERN CO[C@@H]1CCCN(c2ccc(C=O)s2)C1 ZINC000230263439 344475864 /nfs/dbraw/zinc/47/58/64/344475864.db2.gz MMJFARBQEYVEGR-SECBINFHSA-N 0 0 225.313 2.176 10 0 BEAERN CO[C@H]1CCCN(c2ccc(C=O)s2)C1 ZINC000230263441 344476215 /nfs/dbraw/zinc/47/62/15/344476215.db2.gz MMJFARBQEYVEGR-VIFPVBQESA-N 0 0 225.313 2.176 10 0 BEAERN CC1(CNc2cccnc2Cl)COC1 ZINC000227521636 344476759 /nfs/dbraw/zinc/47/67/59/344476759.db2.gz UKVRYGFDRCOVHH-UHFFFAOYSA-N 0 0 212.680 2.183 10 0 BEAERN Nc1cccc2nc(C(F)(F)F)oc21 ZINC000084895832 344483207 /nfs/dbraw/zinc/48/32/07/344483207.db2.gz WOZOYLFNCLQMNS-UHFFFAOYSA-N 0 0 202.135 2.429 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CNc1ccccc1Cl ZINC000072094699 344492330 /nfs/dbraw/zinc/49/23/30/344492330.db2.gz LADSJYWEWLGSEP-GZMMTYOYSA-N 0 0 238.718 2.277 10 0 BEAERN Cc1c(Br)cccc1NC(N)=S ZINC000220700643 344571412 /nfs/dbraw/zinc/57/14/12/344571412.db2.gz UPKDKCLVLTVXER-UHFFFAOYSA-N 0 0 245.145 2.413 10 0 BEAERN C[C@H]1CC[C@H](C)N1Cc1nnc(C2CC2)n1C ZINC000177092218 344532884 /nfs/dbraw/zinc/53/28/84/344532884.db2.gz ITQKJGFJCDOPOY-UWVGGRQHSA-N 0 0 234.347 2.065 10 0 BEAERN Cc1ccc(F)c(N[C@H]2CCC[C@H]2O)c1 ZINC000037690020 178678294 /nfs/dbraw/zinc/67/82/94/178678294.db2.gz POWZRTANGZYXAO-CMPLNLGQSA-N 0 0 209.264 2.459 10 0 BEAERN O=C(c1cnns1)c1ccc(Cl)cc1 ZINC000158196981 344562275 /nfs/dbraw/zinc/56/22/75/344562275.db2.gz BTGQZTXCZXHNGI-UHFFFAOYSA-N 0 0 224.672 2.423 10 0 BEAERN Cc1ccc(SC[C@H](O)C(C)(C)C)nn1 ZINC000641457995 362428711 /nfs/dbraw/zinc/42/87/11/362428711.db2.gz OTLOYTJWYYVRFV-VIFPVBQESA-N 0 0 226.345 2.284 10 0 BEAERN CN(c1nsnc1Cl)C1CCC1 ZINC000127671732 344594313 /nfs/dbraw/zinc/59/43/13/344594313.db2.gz LINBYWXTOIXNLY-UHFFFAOYSA-N 0 0 203.698 2.180 10 0 BEAERN CC(C)C(=O)CC(=O)OCc1ccccc1 ZINC000114672204 344597086 /nfs/dbraw/zinc/59/70/86/344597086.db2.gz WFJAQDNQCDHVBK-UHFFFAOYSA-N 0 0 220.268 2.345 10 0 BEAERN N#CCc1cc(C(F)(F)F)cc(N)c1F ZINC000396082269 344597634 /nfs/dbraw/zinc/59/76/34/344597634.db2.gz CAXMUOWAQUHSGC-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN O=Cc1cnc2c(cnn2Cc2ccccc2)c1 ZINC000111339466 344588864 /nfs/dbraw/zinc/58/88/64/344588864.db2.gz ZQFMLAUHQKJQAS-UHFFFAOYSA-N 0 0 237.262 2.292 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(OC)c1Cl ZINC000396145145 344618265 /nfs/dbraw/zinc/61/82/65/344618265.db2.gz GHKTTYNHFMFNGR-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1c(F)c(C)ccc1[N+](=O)[O-] ZINC000396122014 344608884 /nfs/dbraw/zinc/60/88/84/344608884.db2.gz VQWDYSFIQZKIDS-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN Cc1ccc(F)cc1NC(=O)C[C@H](O)C(C)C ZINC000153834564 178688897 /nfs/dbraw/zinc/68/88/97/178688897.db2.gz HYAQOAXWFIEGRZ-LBPRGKRZSA-N 0 0 239.290 2.480 10 0 BEAERN CCOc1c(F)c(OC)ccc1OC ZINC000396125264 344609970 /nfs/dbraw/zinc/60/99/70/344609970.db2.gz HIDZGCZBLVGCEZ-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN COc1cc(F)c(OC(F)F)cc1OC ZINC000396127501 344610211 /nfs/dbraw/zinc/61/02/11/344610211.db2.gz PODCFMDQSAMTED-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN CN(C)c1cccc(OC(F)(F)F)c1O ZINC000396128584 344611623 /nfs/dbraw/zinc/61/16/23/344611623.db2.gz VLDJKYVMYDNFSJ-UHFFFAOYSA-N 0 0 221.178 2.357 10 0 BEAERN CCOC(=O)c1cc(O)cc(CC)c1C#N ZINC000396139166 344614727 /nfs/dbraw/zinc/61/47/27/344614727.db2.gz SXZWAOAAUXXFMV-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)c1cc(F)c(C#N)cc1C ZINC000396141102 344615435 /nfs/dbraw/zinc/61/54/35/344615435.db2.gz CTUDHGKYPKYMFP-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)c1cc(C#N)c(Cl)c(OC)c1 ZINC000396141126 344615909 /nfs/dbraw/zinc/61/59/09/344615909.db2.gz DAJYJXBJGASSNZ-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)Cc1c(Cl)cc(O)cc1C#N ZINC000396145474 344618588 /nfs/dbraw/zinc/61/85/88/344618588.db2.gz HOHOGHWTYHQVJW-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(CC)c1O ZINC000396143986 344617428 /nfs/dbraw/zinc/61/74/28/344617428.db2.gz NQQORANKVINKDD-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCOC(=O)Cc1c(C)cc(C)cc1O ZINC000396091471 344599499 /nfs/dbraw/zinc/59/94/99/344599499.db2.gz CKOAQVAHTJCNQS-UHFFFAOYSA-N 0 0 208.257 2.115 10 0 BEAERN CCCc1coc(I)n1 ZINC000230400160 344601493 /nfs/dbraw/zinc/60/14/93/344601493.db2.gz WKYCCDUAUJQZRR-UHFFFAOYSA-N 0 0 237.040 2.232 10 0 BEAERN COC(=O)c1cc(F)cc(F)c1OC(F)F ZINC000396100933 344602360 /nfs/dbraw/zinc/60/23/60/344602360.db2.gz FOACZMVENXZTIC-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN OCc1cnc(C(F)(F)F)c(OC(F)F)c1 ZINC000396104200 344602732 /nfs/dbraw/zinc/60/27/32/344602732.db2.gz ZJOUNVKIKILHPR-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COc1cc(OC(F)(F)F)c(N)cc1F ZINC000396109413 344604905 /nfs/dbraw/zinc/60/49/05/344604905.db2.gz YBIQWXLMVGLZGT-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CCOC(=O)c1c(F)cc(F)c(F)c1OC ZINC000396114993 344606401 /nfs/dbraw/zinc/60/64/01/344606401.db2.gz GYQDZSKEQQVQMM-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN COC(=O)c1cc(C)c([N+](=O)[O-])c(Cl)c1 ZINC000396144850 344618203 /nfs/dbraw/zinc/61/82/03/344618203.db2.gz FHCRCSMSUAJGRC-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CN(C)c1ccc(OC(F)(F)F)cc1CO ZINC000396118950 344607851 /nfs/dbraw/zinc/60/78/51/344607851.db2.gz IXAXAILLSWWFGQ-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CN(C)c1cc(CO)ccc1OC(F)(F)F ZINC000396120084 344608485 /nfs/dbraw/zinc/60/84/85/344608485.db2.gz LUDVDAWBBKVXDN-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CCC[C@@H](O)COc1cccc(OC)c1 ZINC000050193861 344655925 /nfs/dbraw/zinc/65/59/25/344655925.db2.gz ZVRCFWSHRJUSKS-SNVBAGLBSA-N 0 0 210.273 2.235 10 0 BEAERN C=CC(=O)OCCCOCc1ccccc1 ZINC000113940512 344680706 /nfs/dbraw/zinc/68/07/06/344680706.db2.gz SJOIDEGZPXSHOC-UHFFFAOYSA-N 0 0 220.268 2.323 10 0 BEAERN C[C@H](NC(=O)c1ccc(N)nc1)c1cccs1 ZINC000050201883 344656273 /nfs/dbraw/zinc/65/62/73/344656273.db2.gz DOBFWZDEZQBCBZ-QMMMGPOBSA-N 0 0 247.323 2.216 10 0 BEAERN COC(=N)c1ccc2c(c1)CCCN2C ZINC000050286184 344665669 /nfs/dbraw/zinc/66/56/69/344665669.db2.gz JECDXZCZRAZOFE-UHFFFAOYSA-N 0 0 204.273 2.041 10 0 BEAERN CCCc1[n-]n(CC)c(=O)c1Br ZINC000127844771 344666076 /nfs/dbraw/zinc/66/60/76/344666076.db2.gz VCBFEGJITOUZKV-UHFFFAOYSA-N 0 0 233.109 2.324 10 0 BEAERN Oc1csc(NCc2ccccc2)n1 ZINC000044176314 344674992 /nfs/dbraw/zinc/67/49/92/344674992.db2.gz CDHIKFSJDJBGGL-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN CCOC(=O)Cc1c(O)ccc(Cl)c1C#N ZINC000396145894 344619026 /nfs/dbraw/zinc/61/90/26/344619026.db2.gz IGGKWJIACVGPGO-UHFFFAOYSA-N 0 0 239.658 2.023 10 0 BEAERN CCOC(=O)c1c(F)ccc(C)c1C#N ZINC000396145608 344619033 /nfs/dbraw/zinc/61/90/33/344619033.db2.gz UDODYRYJNGPKFU-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1c(O)ccc(C#N)c1Cl ZINC000396146737 344620064 /nfs/dbraw/zinc/62/00/64/344620064.db2.gz WQELGXOPKKIFQE-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN CCOC(=O)c1c(C#N)cc(Cl)cc1OC ZINC000396147446 344620907 /nfs/dbraw/zinc/62/09/07/344620907.db2.gz LPSIHPNMPRRIPS-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)Cc1c(C)cc(Cl)cc1C#N ZINC000396147869 344621519 /nfs/dbraw/zinc/62/15/19/344621519.db2.gz YSOSOXNCDWNAFH-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1c(C)ccc(Cl)c1[N+](=O)[O-] ZINC000396150024 344623374 /nfs/dbraw/zinc/62/33/74/344623374.db2.gz AFWABXUMRROTQD-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C#N)cc1F ZINC000396151816 344624219 /nfs/dbraw/zinc/62/42/19/344624219.db2.gz AVFSYFQXZLVWLK-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1cc(C#N)c(F)cc1Cl ZINC000396154129 344626237 /nfs/dbraw/zinc/62/62/37/344626237.db2.gz TWJGYNMQTFNAJQ-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCc1c(C)ccc(CC(=O)OC)c1C#N ZINC000396155777 344627329 /nfs/dbraw/zinc/62/73/29/344627329.db2.gz WMHFEZXMRPZCFI-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1c(Cl)ccc(OC)c1C#N ZINC000396155652 344627347 /nfs/dbraw/zinc/62/73/47/344627347.db2.gz WADXZCKJBGEPQA-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)c1cc(C(F)F)cc(F)c1C#N ZINC000396156335 344627748 /nfs/dbraw/zinc/62/77/48/344627748.db2.gz ISTOCTBDLUFIQR-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1ccc(F)c(C(=O)OC)c1C#N ZINC000396168648 344630604 /nfs/dbraw/zinc/63/06/04/344630604.db2.gz XMFAHUGLDQXYSE-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN C[C@@H](c1cccnc1)N1CCC(=O)[C@H](C)C1 ZINC000049693728 344682233 /nfs/dbraw/zinc/68/22/33/344682233.db2.gz RYARLZWOMNSDHU-MNOVXSKESA-N 0 0 218.300 2.054 10 0 BEAERN CCc1cc(C#N)c(C(=O)OC)cc1F ZINC000396158397 344631862 /nfs/dbraw/zinc/63/18/62/344631862.db2.gz KQQVCCRLRIAGLA-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)c1cc(C#N)c(F)cc1C(F)F ZINC000396158684 344631971 /nfs/dbraw/zinc/63/19/71/344631971.db2.gz VNJUWLCRKIVMBH-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN COC(=O)c1c(C#N)cc(F)cc1C(F)F ZINC000396159477 344632501 /nfs/dbraw/zinc/63/25/01/344632501.db2.gz MDERSNPVKVLLKB-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1c(C#N)ccc(C)c1OC ZINC000396159576 344633016 /nfs/dbraw/zinc/63/30/16/344633016.db2.gz WUDYFGNDKHZAJV-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(C(=O)OC)cc(CC)c1C#N ZINC000396159625 344633123 /nfs/dbraw/zinc/63/31/23/344633123.db2.gz XALZDCPXFCSZRD-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN CCOC(=O)c1ccc(OC)c(C#N)c1C ZINC000396160092 344633170 /nfs/dbraw/zinc/63/31/70/344633170.db2.gz XMZRHKHWDAOJAH-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1c(C)cc(C(=O)OC)cc1C#N ZINC000396162542 344634830 /nfs/dbraw/zinc/63/48/30/344634830.db2.gz PBEBCQIJQVINBE-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCc1cc(C#N)c(F)c(C(=O)OC)c1 ZINC000396164284 344635447 /nfs/dbraw/zinc/63/54/47/344635447.db2.gz RJVNIOBLQFRKPR-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)c1ccc(C(F)F)c(F)c1C#N ZINC000396164059 344635512 /nfs/dbraw/zinc/63/55/12/344635512.db2.gz QROBXOLPKKZMQZ-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCc1ccc(Cl)c(C#N)c1CC(=O)OC ZINC000396165301 344635861 /nfs/dbraw/zinc/63/58/61/344635861.db2.gz SVABQHRJKYJFFK-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCc1ccc(C)c(C(=O)OC)c1C#N ZINC000396166982 344636363 /nfs/dbraw/zinc/63/63/63/344636363.db2.gz VCJFOYHQRPSTCE-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCc1ccc(C(=O)OC)c(C#N)c1F ZINC000396166962 344636441 /nfs/dbraw/zinc/63/64/41/344636441.db2.gz UVJVCFFCXOVMBY-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1cc(Cl)cc(C#N)c1CC(=O)OC ZINC000396167929 344636886 /nfs/dbraw/zinc/63/68/86/344636886.db2.gz WNLZPXIBSBJQMJ-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN Cc1ccsc1-c1nn(C)c(=S)[nH]1 ZINC000127735049 344638603 /nfs/dbraw/zinc/63/86/03/344638603.db2.gz BQUBXZJXAKJMHG-UHFFFAOYSA-N 0 0 211.315 2.141 10 0 BEAERN O=C(CN1CCSC1=O)c1cccs1 ZINC000050130826 344646904 /nfs/dbraw/zinc/64/69/04/344646904.db2.gz PKNKPONJKNCWJN-UHFFFAOYSA-N 0 0 227.310 2.100 10 0 BEAERN Cc1cccc(-c2nc(Br)no2)n1 ZINC000158576790 344682301 /nfs/dbraw/zinc/68/23/01/344682301.db2.gz FWAXZSHBYIXFBG-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN Cc1ccc(C)c(C[C@H](O)C(F)F)c1 ZINC000158729476 344733814 /nfs/dbraw/zinc/73/38/14/344733814.db2.gz CKFWJNOTODISAY-JTQLQIEISA-N 0 0 200.228 2.472 10 0 BEAERN CCc1nnc(Cl)n1[C@@H](C)[C@H]1CCOC1 ZINC000158753508 344740482 /nfs/dbraw/zinc/74/04/82/344740482.db2.gz DRGZEIYZYMNBKY-YUMQZZPRSA-N 0 0 229.711 2.091 10 0 BEAERN CSCC(=O)c1sc(C)nc1C ZINC000235027993 344746475 /nfs/dbraw/zinc/74/64/75/344746475.db2.gz RIJYJEVKFRATAI-UHFFFAOYSA-N 0 0 201.316 2.306 10 0 BEAERN O=C(Cc1ccccc1F)c1cnns1 ZINC000158585831 344684688 /nfs/dbraw/zinc/68/46/88/344684688.db2.gz MBGXYGCKQBOAFH-UHFFFAOYSA-N 0 0 222.244 2.103 10 0 BEAERN Cc1ccc(N)c(NC(=O)[C@@H]2CCCO2)c1C ZINC000036736920 178703459 /nfs/dbraw/zinc/70/34/59/178703459.db2.gz OSVKUPDIVNJQLH-NSHDSACASA-N 0 0 234.299 2.003 10 0 BEAERN CCCc1nnsc1-c1nc(Cl)no1 ZINC000158590012 344686541 /nfs/dbraw/zinc/68/65/41/344686541.db2.gz ADZYLWIXJCMZKZ-UHFFFAOYSA-N 0 0 230.680 2.194 10 0 BEAERN CSCc1nc2c(c(=S)[nH]1)CSC2 ZINC000235037696 344748408 /nfs/dbraw/zinc/74/84/08/344748408.db2.gz OHIDLHQROIYQNG-UHFFFAOYSA-N 0 0 230.383 2.375 10 0 BEAERN O[C@H](c1csnn1)c1ccccc1Cl ZINC000158635138 344704014 /nfs/dbraw/zinc/70/40/14/344704014.db2.gz OPACSRYBHLDYQS-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1cccc(N)c1 ZINC000221244924 344708428 /nfs/dbraw/zinc/70/84/28/344708428.db2.gz JBNQXRXZAUOKKD-CYBMUJFWSA-N 0 0 218.300 2.342 10 0 BEAERN COC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000050568850 344711533 /nfs/dbraw/zinc/71/15/33/344711533.db2.gz BXKPGADAZJSWQS-UHFFFAOYSA-N 0 0 207.204 2.402 10 0 BEAERN C/C=C/CCNc1cc(C)nc(COC)n1 ZINC000075052318 344763402 /nfs/dbraw/zinc/76/34/02/344763402.db2.gz PLBKFZUTMXQEBV-SNAWJCMRSA-N 0 0 221.304 2.310 10 0 BEAERN Cc1ccc(N)cc1Oc1ncccn1 ZINC000035678364 178709844 /nfs/dbraw/zinc/70/98/44/178709844.db2.gz OTRNWGJUSMPCLG-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CCOC(=O)c1ccnc(CSC(C)C)n1 ZINC000300749297 537857263 /nfs/dbraw/zinc/85/72/63/537857263.db2.gz QMVURZPCMUSHFR-UHFFFAOYSA-N 0 0 240.328 2.295 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NC1CCC(C)CC1 ZINC000075982371 344790058 /nfs/dbraw/zinc/79/00/58/344790058.db2.gz BVFIWPUXGAJIFW-QONHTCSSSA-N 0 0 210.321 2.273 10 0 BEAERN C[C@]1(C(=O)[O-])CCCC[C@@H]1[NH+]1CCCC1 ZINC000135659479 344839491 /nfs/dbraw/zinc/83/94/91/344839491.db2.gz JIRBGWGRSXUUAF-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN CC(=O)[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC000235166031 344832460 /nfs/dbraw/zinc/83/24/60/344832460.db2.gz KNCCRHJLNXQKOE-SECBINFHSA-N 0 0 211.305 2.051 10 0 BEAERN Cc1cc(=O)oc2oc3c(cc(O)cc3O)c21 ZINC000005922144 537868059 /nfs/dbraw/zinc/86/80/59/537868059.db2.gz LYFLYGBBHCVTBT-UHFFFAOYSA-N 0 0 232.191 2.259 10 0 BEAERN CC(=O)CC(=O)Nc1ccc(F)c(C)c1 ZINC000061119484 344854459 /nfs/dbraw/zinc/85/44/59/344854459.db2.gz HZKYKCFUNATWBD-UHFFFAOYSA-N 0 0 209.220 2.052 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)c(O)c1 ZINC000190496150 178749252 /nfs/dbraw/zinc/74/92/52/178749252.db2.gz XEDJQCUPPZDEMX-QWRGUYRKSA-N 0 0 249.310 2.454 10 0 BEAERN C[C@@H](c1ccccc1)C1N=NC(=S)N1 ZINC000235257027 344859773 /nfs/dbraw/zinc/85/97/73/344859773.db2.gz FBHZCINMUZDRNP-ZETCQYMHSA-N 0 0 205.286 2.245 10 0 BEAERN Cc1ccc(NCc2cncnc2)cc1O ZINC000083348190 178765970 /nfs/dbraw/zinc/76/59/70/178765970.db2.gz DAONDWFRBZNYNA-UHFFFAOYSA-N 0 0 215.256 2.103 10 0 BEAERN Cc1ccc(NCCC[NH+](C)C)c(C(=O)[O-])c1 ZINC000052982309 178758680 /nfs/dbraw/zinc/75/86/80/178758680.db2.gz LIPRJNJFVCPEMX-UHFFFAOYSA-N 0 0 236.315 2.057 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)C1=CC(=S)CS1 ZINC000235275646 344870768 /nfs/dbraw/zinc/87/07/68/344870768.db2.gz WEBYCLYPVQLXTO-IYSWYEEDSA-N 0 0 213.327 2.175 10 0 BEAERN CSC1CCC(NC2=[NH+]CCS2)CC1 ZINC000235294645 344875515 /nfs/dbraw/zinc/87/55/15/344875515.db2.gz KPNKVURGRCUKGO-UHFFFAOYSA-N 0 0 230.402 2.353 10 0 BEAERN C[C@@H]1C[C@@]1(O)C(C(F)(F)F)C(F)(F)F ZINC000235294501 344875604 /nfs/dbraw/zinc/87/56/04/344875604.db2.gz OQMDKOAJXMYKGR-WUJLRWPWSA-N 0 0 222.128 2.498 10 0 BEAERN C[C@@H]1OCC[C@H]1SCC1(O)CCCC1 ZINC000235297532 344876160 /nfs/dbraw/zinc/87/61/60/344876160.db2.gz VNGBCKSOBYFFKI-VHSXEESVSA-N 0 0 216.346 2.202 10 0 BEAERN CCn1cc(N)c(-c2ccc(F)cc2)n1 ZINC000135744301 344878878 /nfs/dbraw/zinc/87/88/78/344878878.db2.gz XNWPQZAPJQSZDK-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CSc1c(N)nsc1N1CCCC1 ZINC000235300689 344879558 /nfs/dbraw/zinc/87/95/58/344879558.db2.gz XCWJZTWJJMFGCK-UHFFFAOYSA-N 0 0 215.347 2.047 10 0 BEAERN COC(=O)C1(Nc2ccc(C)cc2)CCOCC1 ZINC000037953488 344910498 /nfs/dbraw/zinc/91/04/98/344910498.db2.gz QJHZIUHTOJHUQK-UHFFFAOYSA-N 0 0 249.310 2.129 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C1CCCC1 ZINC000235335448 344887356 /nfs/dbraw/zinc/88/73/56/344887356.db2.gz PYOIGSSHCVOJJY-ZJUUUORDSA-N 0 0 211.305 2.114 10 0 BEAERN COC(=O)c1nc(C)oc1-c1ccccc1 ZINC000039109838 344888531 /nfs/dbraw/zinc/88/85/31/344888531.db2.gz VWZSIZYNQPNEQB-UHFFFAOYSA-N 0 0 217.224 2.437 10 0 BEAERN C[C@@H]1OCC[C@@H]1Sc1ccc(C=O)o1 ZINC000235344834 344888621 /nfs/dbraw/zinc/88/86/21/344888621.db2.gz FGQUMRCUMQDPOF-CBAPKCEASA-N 0 0 212.270 2.362 10 0 BEAERN C[C@@H]1C[C@@H](Nc2cnnc(Cl)c2)CCO1 ZINC000235359238 344892082 /nfs/dbraw/zinc/89/20/82/344892082.db2.gz DOGDZAZMRVGGMS-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1n[nH]c(C)c1N[C@@H]1CCS[C@H]1C ZINC000235375637 344897428 /nfs/dbraw/zinc/89/74/28/344897428.db2.gz LHAFJUYXYOFHSV-DTWKUNHWSA-N 0 0 211.334 2.332 10 0 BEAERN CC(C)C[C@@H](C)Cn1cccc(N)c1=O ZINC000300956682 537871551 /nfs/dbraw/zinc/87/15/51/537871551.db2.gz QIWMOAUAURTDLY-SNVBAGLBSA-N 0 0 208.305 2.113 10 0 BEAERN C[C@@H]1CC[C@@H](O)[C@H](OCC(F)(F)F)C1 ZINC000044192391 344899233 /nfs/dbraw/zinc/89/92/33/344899233.db2.gz WEZFJKWJVOOSEZ-BWZBUEFSSA-N 0 0 212.211 2.115 10 0 BEAERN CC[C@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000166491856 344908588 /nfs/dbraw/zinc/90/85/88/344908588.db2.gz OFKASPWWOJPCGS-QMMMGPOBSA-N 0 0 211.696 2.366 10 0 BEAERN Cc1cc(N)cc(S[C@H](C)[C@H](C)O)c1 ZINC000235560553 344938180 /nfs/dbraw/zinc/93/81/80/344938180.db2.gz HROBWPSTRPIBMB-DTWKUNHWSA-N 0 0 211.330 2.439 10 0 BEAERN C[C@H](O)[C@H](C)Sc1nc(Cl)ncc1F ZINC000235529163 344930719 /nfs/dbraw/zinc/93/07/19/344930719.db2.gz XBXAFAAKSHMKMN-WHFBIAKZSA-N 0 0 236.699 2.131 10 0 BEAERN CCN(C)Cc1c(N)cccc1Br ZINC000037078103 537874596 /nfs/dbraw/zinc/87/45/96/537874596.db2.gz UUZPQLPSCBDQDC-UHFFFAOYSA-N 0 0 243.148 2.483 10 0 BEAERN C[C@H](O)C(=O)Cc1cc(Cl)ccc1Cl ZINC000235541864 344936641 /nfs/dbraw/zinc/93/66/41/344936641.db2.gz QCYXGVDIGUOECV-LURJTMIESA-N 0 0 233.094 2.486 10 0 BEAERN Cc1csc([C@H]([NH3+])[C@@H]2CCSC2)n1 ZINC000224627357 344956970 /nfs/dbraw/zinc/95/69/70/344956970.db2.gz LBASYUPBUXXJQW-HTQZYQBOSA-N 0 0 214.359 2.204 10 0 BEAERN Cc1ccc(S[C@H](C)[C@H](C)O)cc1N ZINC000235563770 344943812 /nfs/dbraw/zinc/94/38/12/344943812.db2.gz CPZIASKOJFCEFJ-DTWKUNHWSA-N 0 0 211.330 2.439 10 0 BEAERN CCC1=CC(c2ccccc2)=NN2CCN=C12 ZINC000039102544 168508961 /nfs/dbraw/zinc/50/89/61/168508961.db2.gz SYORLOKVKZSTEE-UHFFFAOYSA-N 0 0 225.295 2.455 10 0 BEAERN Cc1c(N)cnn1Cc1cccc(Cl)c1 ZINC000070824251 537883660 /nfs/dbraw/zinc/88/36/60/537883660.db2.gz RFLYVPWNODLOKE-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Nc1c(Cl)ccc(O)c1Br ZINC000145893934 344986702 /nfs/dbraw/zinc/98/67/02/344986702.db2.gz JKSVBCQLGYMILU-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CCOC(=O)CCCOc1cccc(OC)c1 ZINC000145979800 345018717 /nfs/dbraw/zinc/01/87/17/345018717.db2.gz ZSEBABXVTPDRGG-UHFFFAOYSA-N 0 0 238.283 2.417 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCCF ZINC000154194285 345019999 /nfs/dbraw/zinc/01/99/99/345019999.db2.gz QBDHOXQRXRZCDR-JOYOIKCWSA-N 0 0 237.274 2.027 10 0 BEAERN Cc1ccc(OCCC(=O)N2CCCO2)c(C)c1 ZINC000125403548 178810622 /nfs/dbraw/zinc/81/06/22/178810622.db2.gz APCHGEVFJOKUEN-UHFFFAOYSA-N 0 0 249.310 2.236 10 0 BEAERN COC(=O)[C@H](N)CC[C@H](C)CC(C)(C)C ZINC000044327105 345022857 /nfs/dbraw/zinc/02/28/57/345022857.db2.gz RFHKATAMDPUENG-VHSXEESVSA-N 0 0 215.337 2.339 10 0 BEAERN COc1ccc(Cl)c(Cl)c1CO ZINC000238335897 345025019 /nfs/dbraw/zinc/02/50/19/345025019.db2.gz OMONSTSEXILJCC-UHFFFAOYSA-N 0 0 207.056 2.494 10 0 BEAERN COC(=O)c1cc(Br)cc(O)c1C ZINC000238340034 345025580 /nfs/dbraw/zinc/02/55/80/345025580.db2.gz ZUKLMGVEFUOZOV-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN CON(C)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000238346909 345026984 /nfs/dbraw/zinc/02/69/84/345026984.db2.gz YXCZOPPQUSANPU-UHFFFAOYSA-N 0 0 235.070 2.022 10 0 BEAERN COc1nc(C)ccc1I ZINC000238372328 345033293 /nfs/dbraw/zinc/03/32/93/345033293.db2.gz KBYDHKCHALBCCZ-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN COc1ccc2cnc(Br)n2c1 ZINC000238377298 345034151 /nfs/dbraw/zinc/03/41/51/345034151.db2.gz DCEQGROINRXPLM-UHFFFAOYSA-N 0 0 227.061 2.105 10 0 BEAERN COc1cccc(OC(F)(F)F)c1O ZINC000238383426 345037064 /nfs/dbraw/zinc/03/70/64/345037064.db2.gz LSROBWBHWVBOJC-UHFFFAOYSA-N 0 0 208.135 2.299 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2F)O1 ZINC000155511508 345087741 /nfs/dbraw/zinc/08/77/41/345087741.db2.gz DLWUQYLLASPQPY-RDDDGLTNSA-N 0 0 241.237 2.471 10 0 BEAERN Clc1cnc2c(Br)c[nH]c2n1 ZINC000238558657 345077953 /nfs/dbraw/zinc/07/79/53/345077953.db2.gz FPUUGLZSKOWTSU-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN CCC[C@H](C)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155432331 345081039 /nfs/dbraw/zinc/08/10/39/345081039.db2.gz HPGCOZGHBTXCBO-AVGNSLFASA-N 0 0 241.375 2.480 10 0 BEAERN Cc1ccc(N2CC[C@H](CO)C2)c(C)c1 ZINC000011892777 345055414 /nfs/dbraw/zinc/05/54/14/345055414.db2.gz LVJUYFXHAUIBBH-LBPRGKRZSA-N 0 0 205.301 2.122 10 0 BEAERN C[C@@H]1CC[C@H](C)NN1C(=O)OC(C)(C)C ZINC000238480515 345057515 /nfs/dbraw/zinc/05/75/15/345057515.db2.gz FQRMBGGAKFARQJ-DTWKUNHWSA-N 0 0 214.309 2.299 10 0 BEAERN Cc1cc(OC(F)(F)F)c(C=O)cn1 ZINC000238492039 345059849 /nfs/dbraw/zinc/05/98/49/345059849.db2.gz SLCIYNLHRHZQGN-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(OC[C@@H]2CCOC2)c([C@@H](C)O)c1 ZINC000049689140 178814052 /nfs/dbraw/zinc/81/40/52/178814052.db2.gz LSKGJCGHDBFZAE-VXGBXAGGSA-N 0 0 236.311 2.464 10 0 BEAERN Cc1cc(OC(F)(F)F)ncc1C=O ZINC000238496780 345062949 /nfs/dbraw/zinc/06/29/49/345062949.db2.gz NZVCHNFZIIRVIY-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN O=c1[nH]ccc(OC(F)(F)F)c1Cl ZINC000238710781 345115439 /nfs/dbraw/zinc/11/54/39/345115439.db2.gz UALAMOQLPZMUGU-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN O[C@@H]1CCc2ccc(OC(F)F)cc21 ZINC000238668487 345105196 /nfs/dbraw/zinc/10/51/96/345105196.db2.gz IQMUSXBHYFARHR-SECBINFHSA-N 0 0 200.184 2.268 10 0 BEAERN CCc1ccccc1CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000156071407 345122791 /nfs/dbraw/zinc/12/27/91/345122791.db2.gz SJTUWOYEZZMJPD-FZMZJTMJSA-N 0 0 247.338 2.433 10 0 BEAERN Nc1ncn(-c2cc(Cl)ccc2Cl)n1 ZINC000307167033 345108882 /nfs/dbraw/zinc/10/88/82/345108882.db2.gz QMNSLKUMROKGBT-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN OCc1c(F)cccc1OC(F)(F)F ZINC000238708299 345114644 /nfs/dbraw/zinc/11/46/44/345114644.db2.gz OPNZZIIDZANFRY-UHFFFAOYSA-N 0 0 210.126 2.217 10 0 BEAERN O=C(Nc1cccs1)c1cscn1 ZINC000145332766 345131454 /nfs/dbraw/zinc/13/14/54/345131454.db2.gz OZVDQPUKBROYTI-UHFFFAOYSA-N 0 0 210.283 2.457 10 0 BEAERN COC(=O)C1=C(O)[C@@](C)(c2ccccc2)CCC1 ZINC000167204402 345144578 /nfs/dbraw/zinc/14/45/78/345144578.db2.gz WDZBBLDSAOBYTD-IUODEOHRSA-N 0 0 246.306 2.487 10 0 BEAERN COC(=O)C1=C(O)[C@](C)(c2ccccc2)CCC1 ZINC000167204612 345144881 /nfs/dbraw/zinc/14/48/81/345144881.db2.gz WDZBBLDSAOBYTD-DOMZBBRYSA-N 0 0 246.306 2.487 10 0 BEAERN CCc1cnn2c1N[C@H](C)C[C@H]2C(F)F ZINC000720939431 537891596 /nfs/dbraw/zinc/89/15/96/537891596.db2.gz DNZYCONWIQRQCD-SVRRBLITSA-N 0 0 215.247 2.456 10 0 BEAERN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1O ZINC000146067914 345234882 /nfs/dbraw/zinc/23/48/82/345234882.db2.gz SZVLDQVHEROQDA-UTLUCORTSA-N 0 0 229.320 2.061 10 0 BEAERN CC(C)c1cc(=O)[nH]c(-c2ccc(N)cc2)n1 ZINC000071397971 537890778 /nfs/dbraw/zinc/89/07/78/537890778.db2.gz RZBABLIPPYVBHY-UHFFFAOYSA-N 0 0 229.283 2.143 10 0 BEAERN Cc1ccn2ccnc2c1Br ZINC000145871047 345214461 /nfs/dbraw/zinc/21/44/61/345214461.db2.gz GHULBCDLPSFRAJ-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN CCOC(=O)c1ccc2[nH]ccc2c1F ZINC000260564578 345255100 /nfs/dbraw/zinc/25/51/00/345255100.db2.gz UKLGWSZXCMWKKG-UHFFFAOYSA-N 0 0 207.204 2.484 10 0 BEAERN O=C(c1ccncc1F)[C@@H]1CSCCS1 ZINC000157398383 345258849 /nfs/dbraw/zinc/25/88/49/345258849.db2.gz CLAVFISQAZMRHF-VIFPVBQESA-N 0 0 243.328 2.252 10 0 BEAERN C[C@]1(CNc2ccnc(F)c2)CCCO1 ZINC000227645809 345262124 /nfs/dbraw/zinc/26/21/24/345262124.db2.gz WXXHPNZZTMBWJY-LLVKDONJSA-N 0 0 210.252 2.202 10 0 BEAERN C[C@@H]1SCCC[C@@]1(O)Cc1ccoc1 ZINC000130486126 345276548 /nfs/dbraw/zinc/27/65/48/345276548.db2.gz AVGGDDNBADMVMR-GXSJLCMTSA-N 0 0 212.314 2.469 10 0 BEAERN CC[C@@H](NC(=O)c1ccccn1)c1nccs1 ZINC000131205668 345294371 /nfs/dbraw/zinc/29/43/71/345294371.db2.gz IWVAJLRVLOKVJH-SECBINFHSA-N 0 0 247.323 2.419 10 0 BEAERN Cc1ccc([C@@H](C)n2nccc2N)s1 ZINC000019406932 178852595 /nfs/dbraw/zinc/85/25/95/178852595.db2.gz GYVUTWYMQOJWGS-MRVPVSSYSA-N 0 0 207.302 2.445 10 0 BEAERN CC(=O)CCC(=O)Nc1cnccc1Cl ZINC000166759721 345363189 /nfs/dbraw/zinc/36/31/89/345363189.db2.gz AUYHSHRDHAVEAY-UHFFFAOYSA-N 0 0 226.663 2.043 10 0 BEAERN COC(=O)N1CCC[C@H]1c1cccc(N)c1 ZINC000221441586 345366748 /nfs/dbraw/zinc/36/67/48/345366748.db2.gz JULPWDWZRYDOHC-NSHDSACASA-N 0 0 220.272 2.172 10 0 BEAERN COC(=O)N1CCC[C@H]1c1ccc(N)cc1 ZINC000221441322 345366763 /nfs/dbraw/zinc/36/67/63/345366763.db2.gz IHRFCVGEZFRLGF-NSHDSACASA-N 0 0 220.272 2.172 10 0 BEAERN CCC[C@@H](C)CC(=O)N(C)C[C@@H]1CCCO1 ZINC000133387556 345373020 /nfs/dbraw/zinc/37/30/20/345373020.db2.gz LMEFWRMJPCCZOQ-NEPJUHHUSA-N 0 0 227.348 2.450 10 0 BEAERN Cc1nn(-c2ccc(C)cc2C)cc1N ZINC000135730225 345452626 /nfs/dbraw/zinc/45/26/26/345452626.db2.gz LUHMPZWJNNHJMU-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cn1nccc1CC[C@@H]1CCCC(=O)C1 ZINC000230902364 349927569 /nfs/dbraw/zinc/92/75/69/349927569.db2.gz RXJUQZKEYXXJOW-JTQLQIEISA-N 0 0 206.289 2.112 10 0 BEAERN CC(C)c1nsc(NC[C@H](O)C(C)(C)C)n1 ZINC000080789018 345447337 /nfs/dbraw/zinc/44/73/37/345447337.db2.gz LVSMPRYTDJEEIR-QMMMGPOBSA-N 0 0 243.376 2.480 10 0 BEAERN Cc1cccc(C(=O)Nc2ccc(N)nc2)c1 ZINC000061680503 192088696 /nfs/dbraw/zinc/08/86/96/192088696.db2.gz IZJYWALZXXSQHZ-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN CNc1snnc1COC1CCCC1 ZINC000050830329 345491363 /nfs/dbraw/zinc/49/13/63/345491363.db2.gz DAEGLATWXVEHHR-UHFFFAOYSA-N 0 0 213.306 2.039 10 0 BEAERN CNC(=S)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000135955658 345466716 /nfs/dbraw/zinc/46/67/16/345466716.db2.gz APNSIFNKLFXEAO-DTWKUNHWSA-N 0 0 200.351 2.001 10 0 BEAERN CCOC(=O)c1ccc(Cl)nc1F ZINC000260825014 345474540 /nfs/dbraw/zinc/47/45/40/345474540.db2.gz VUKFRJMITGPLBQ-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN Cc1csc(CC(=O)[C@@H]2CCCCO2)n1 ZINC000229279938 345474658 /nfs/dbraw/zinc/47/46/58/345474658.db2.gz LFLCOOFPYGGZRL-JTQLQIEISA-N 0 0 225.313 2.132 10 0 BEAERN COC(=O)c1ccc(NC(=O)C2CC(C)C2)cc1 ZINC000084736601 345520960 /nfs/dbraw/zinc/52/09/60/345520960.db2.gz RRKYBCNWEXPUHM-UHFFFAOYSA-N 0 0 247.294 2.458 10 0 BEAERN CCCc1cc(NC(=O)C2CC(C)C2)n[nH]1 ZINC000084762171 345525017 /nfs/dbraw/zinc/52/50/17/345525017.db2.gz ZTQWFJLGIBGQSP-UHFFFAOYSA-N 0 0 221.304 2.347 10 0 BEAERN C[C@@H](C[C@@H](O)c1cn[nH]c1)CC(F)(F)F ZINC000402842986 537898719 /nfs/dbraw/zinc/89/87/19/537898719.db2.gz ZXHCBASNTSEGIK-POYBYMJQSA-N 0 0 222.210 2.422 10 0 BEAERN CCOC(=O)CC[C@@H](C)Nc1cccc(F)n1 ZINC000089656947 345558282 /nfs/dbraw/zinc/55/82/82/345558282.db2.gz ACEDEWVLILXLEE-SECBINFHSA-N 0 0 240.278 2.364 10 0 BEAERN Cc1ccc([C@@H]2NC(=O)[C@@H]3CCCCN23)c(C)c1 ZINC000071967401 178877796 /nfs/dbraw/zinc/87/77/96/178877796.db2.gz BFLYFBPEMHFNNK-UONOGXRCSA-N 0 0 244.338 2.286 10 0 BEAERN C[C@H](Nc1nnc(C(F)F)s1)[C@@H]1CCCO1 ZINC000091427253 345592286 /nfs/dbraw/zinc/59/22/86/345592286.db2.gz ZOPKEJSKDPFAAU-WDSKDSINSA-N 0 0 249.286 2.455 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000091679484 345603235 /nfs/dbraw/zinc/60/32/35/345603235.db2.gz DIKBCBHNWIGUOF-IONNQARKSA-N 0 0 244.241 2.272 10 0 BEAERN C[C@H](C[C@@H](O)c1cn[nH]c1)CC(F)(F)F ZINC000402842985 537898836 /nfs/dbraw/zinc/89/88/36/537898836.db2.gz ZXHCBASNTSEGIK-HTRCEHHLSA-N 0 0 222.210 2.422 10 0 BEAERN CC[C@@H](Cn1ccc(N)n1)CC(F)(F)F ZINC000402782359 537899337 /nfs/dbraw/zinc/89/93/37/537899337.db2.gz UEADHKSUZCWRGQ-SSDOTTSWSA-N 0 0 221.226 2.274 10 0 BEAERN CC[NH2+][C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000114687828 537899544 /nfs/dbraw/zinc/89/95/44/537899544.db2.gz UKEBDNNEWSLOLS-CQSZACIVSA-N 0 0 243.306 2.445 10 0 BEAERN O[C@H](c1cn[nH]c1)c1ccc(C2CC2)s1 ZINC000716613623 537903094 /nfs/dbraw/zinc/90/30/94/537903094.db2.gz HRFDAVPUXZYFDU-LLVKDONJSA-N 0 0 220.297 2.430 10 0 BEAERN Nc1nn(CCCC2CC2)cc1Br ZINC000405969991 537906300 /nfs/dbraw/zinc/90/63/00/537906300.db2.gz FANKAIRABLRLCA-UHFFFAOYSA-N 0 0 244.136 2.248 10 0 BEAERN OCC[C@H]1COc2ccc(Br)cc21 ZINC000137748694 345692388 /nfs/dbraw/zinc/69/23/88/345692388.db2.gz FRRGZPOGJAPSFM-ZETCQYMHSA-N 0 0 243.100 2.308 10 0 BEAERN O[C@H]1CCc2ccccc2[C@]1(O)c1ccccc1 ZINC000032233400 345739695 /nfs/dbraw/zinc/73/96/95/345739695.db2.gz TXNJZFSOMICEJL-JKSUJKDBSA-N 0 0 240.302 2.230 10 0 BEAERN CC(C)(CO[C@H]1CCCCO1)c1cc(N)on1 ZINC000113828748 345754884 /nfs/dbraw/zinc/75/48/84/345754884.db2.gz DCEQCJHCPZARFG-NSHDSACASA-N 0 0 240.303 2.078 10 0 BEAERN O=C1CCc2cc(Oc3ncccn3)ccc21 ZINC000140019079 345699905 /nfs/dbraw/zinc/69/99/05/345699905.db2.gz LHOJHUJQWBMSDV-UHFFFAOYSA-N 0 0 226.235 2.398 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@H](C)C(C)C ZINC000141373400 345702884 /nfs/dbraw/zinc/70/28/84/345702884.db2.gz KWFBUWFZTFIELO-NXEZZACHSA-N 0 0 200.326 2.375 10 0 BEAERN N#CNCc1ccc(C(F)(F)F)cc1 ZINC000061626798 345710568 /nfs/dbraw/zinc/71/05/68/345710568.db2.gz MLXRRPCZMQWYDT-UHFFFAOYSA-N 0 0 200.163 2.276 10 0 BEAERN CCOC(=O)C[C@H]1CCCc2ncccc21 ZINC000168783143 345823020 /nfs/dbraw/zinc/82/30/20/345823020.db2.gz PQKVVIFCNGXJEH-SNVBAGLBSA-N 0 0 219.284 2.455 10 0 BEAERN O=C(NCc1ccccc1)n1cccc1 ZINC000033835539 345816526 /nfs/dbraw/zinc/81/65/26/345816526.db2.gz PGMIDXFBASSZQX-UHFFFAOYSA-N 0 0 200.241 2.246 10 0 BEAERN Cc1ccc2cc(C[C@H]([NH3+])C(=O)[O-])ccc2c1 ZINC000034117353 345816851 /nfs/dbraw/zinc/81/68/51/345816851.db2.gz FZEWDQWMZUOORK-ZDUSSCGKSA-N 0 0 229.279 2.103 10 0 BEAERN CC(=O)C1=C(O)CC[C@@H](c2ccncc2)C1 ZINC000034152531 345818279 /nfs/dbraw/zinc/81/82/79/345818279.db2.gz HWHKJOULOUZDEU-VXGBXAGGSA-N 0 0 217.268 2.123 10 0 BEAERN CCOC(=O)C[C@H]1CCC[C@H](CCC#N)C1=O ZINC000034182304 345818834 /nfs/dbraw/zinc/81/88/34/345818834.db2.gz NTBNGFKXIYKZGR-GHMZBOCLSA-N 0 0 237.299 2.229 10 0 BEAERN Nc1ccc(-c2ccc3ncnc(N)c3c2)cc1 ZINC000168906307 345823831 /nfs/dbraw/zinc/82/38/31/345823831.db2.gz UOYCJFHNBCVZMH-UHFFFAOYSA-N 0 0 236.278 2.461 10 0 BEAERN O=C(Cc1cccs1)[C@H]1CCCCO1 ZINC000050964060 345766232 /nfs/dbraw/zinc/76/62/32/345766232.db2.gz KLTNUGDFXCVERA-LLVKDONJSA-N 0 0 210.298 2.429 10 0 BEAERN O=C(Oc1ccccc1)c1ccc(O)cc1O ZINC000034310109 345820844 /nfs/dbraw/zinc/82/08/44/345820844.db2.gz WJRRDPPTDMGQRE-UHFFFAOYSA-N 0 0 230.219 2.317 10 0 BEAERN COC(=O)c1ccc(C)c(O)c1Cl ZINC000261161922 345773570 /nfs/dbraw/zinc/77/35/70/345773570.db2.gz WUAOSSBUAQJCJB-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CCO[C@@H]1OC(=O)[C@@H]2[C@H](C)CC[C@@H]2[C@@H]1C ZINC000257353694 345774369 /nfs/dbraw/zinc/77/43/69/345774369.db2.gz SQKOYPMIMBRHSW-VEOFNUSFSA-N 0 0 212.289 2.204 10 0 BEAERN Cn1nccc1-c1ccc(F)c(C=O)c1 ZINC000069020233 345778814 /nfs/dbraw/zinc/77/88/14/345778814.db2.gz DULIOWMRVIGJCF-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN CC(C)(C)c1cn2c(n1)[C@H](CO)CCC2 ZINC000258223627 345781065 /nfs/dbraw/zinc/78/10/65/345781065.db2.gz GRBZLQNJNJLCRL-VIFPVBQESA-N 0 0 208.305 2.050 10 0 BEAERN O[C@@H]1CCCn2cc(-c3cccs3)nc21 ZINC000258745168 345783103 /nfs/dbraw/zinc/78/31/03/345783103.db2.gz ZLKUZWZUPAHPPR-SECBINFHSA-N 0 0 220.297 2.439 10 0 BEAERN C[C@@](F)(C[NH3+])Cc1c(F)cccc1F ZINC000166780475 345787079 /nfs/dbraw/zinc/78/70/79/345787079.db2.gz RWRMHHYSAMVMDD-JTQLQIEISA-N 0 0 203.207 2.194 10 0 BEAERN Cc1ccc(/C=C/c2c(N)ncnc2N)cc1 ZINC000135923795 345794581 /nfs/dbraw/zinc/79/45/81/345794581.db2.gz WHCAKFIQLXXYNE-VOTSOKGWSA-N 0 0 226.283 2.120 10 0 BEAERN O=Cc1ccnc(OCC2CCCCC2)n1 ZINC000215839665 345848721 /nfs/dbraw/zinc/84/87/21/345848721.db2.gz CNLANSDOWIZRED-UHFFFAOYSA-N 0 0 220.272 2.248 10 0 BEAERN CC1(C)OC[C@H](CCCCCCO)O1 ZINC000137901551 345850411 /nfs/dbraw/zinc/85/04/11/345850411.db2.gz KDRCNBWIQROQAZ-JTQLQIEISA-N 0 0 202.294 2.081 10 0 BEAERN CC(=O)OCCCCc1ccc(O)cc1 ZINC000218774474 345853913 /nfs/dbraw/zinc/85/39/13/345853913.db2.gz DAZXCKBQAWWTPH-UHFFFAOYSA-N 0 0 208.257 2.278 10 0 BEAERN O=C1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000141858220 345856902 /nfs/dbraw/zinc/85/69/02/345856902.db2.gz MRPLWVFDMQGJAA-UHFFFAOYSA-N 0 0 217.259 2.229 10 0 BEAERN CC(=O)Nc1ccc(N)c(N2CCCCC2)c1 ZINC000142979598 345864485 /nfs/dbraw/zinc/86/44/85/345864485.db2.gz NUSPQCXJJXKQPO-UHFFFAOYSA-N 0 0 233.315 2.218 10 0 BEAERN Cc1nc(N(C)[C@H]2CCSC2)sc1C=O ZINC000054966794 345858344 /nfs/dbraw/zinc/85/83/44/345858344.db2.gz MWQXOGHPMOKAMH-QMMMGPOBSA-N 0 0 242.369 2.206 10 0 BEAERN C[C@@H](O)c1ccc2c(c1)OC(F)(F)O2 ZINC000219658348 345859490 /nfs/dbraw/zinc/85/94/90/345859490.db2.gz CLAMFCKMBBTQPB-RXMQYKEDSA-N 0 0 202.156 2.061 10 0 BEAERN Cc1cc(Br)c(CO)cc1F ZINC000141273268 345860230 /nfs/dbraw/zinc/86/02/30/345860230.db2.gz FFIBUTRBRPDDPP-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN CCOC(=O)c1nnsc1-c1ccccc1 ZINC000141497634 345860723 /nfs/dbraw/zinc/86/07/23/345860723.db2.gz XLNXDMWZONWVIK-UHFFFAOYSA-N 0 0 234.280 2.382 10 0 BEAERN COC(=O)[C@H](OC)C(C)(C)c1ccccc1 ZINC000141665371 345861370 /nfs/dbraw/zinc/86/13/70/345861370.db2.gz RKIRNHZJYVFSRC-NSHDSACASA-N 0 0 222.284 2.152 10 0 BEAERN COC(=O)/C=C/c1ccc(Cl)cc1N ZINC000034410464 345827157 /nfs/dbraw/zinc/82/71/57/345827157.db2.gz VHCSJCFEYXNKHF-HWKANZROSA-N 0 0 211.648 2.108 10 0 BEAERN COc1cccc2c1C1=C(CC2)NC(=O)CC1 ZINC000034403610 345827186 /nfs/dbraw/zinc/82/71/86/345827186.db2.gz NXOHCUAEHNQRAK-UHFFFAOYSA-N 0 0 229.279 2.263 10 0 BEAERN CC(C)(CO)[C@H](O)c1ccc(Cl)cc1 ZINC000034563488 345832267 /nfs/dbraw/zinc/83/22/67/345832267.db2.gz ZGUSKNKWSOITFK-SNVBAGLBSA-N 0 0 214.692 2.392 10 0 BEAERN CC[C@@H](C(=O)OC)c1ccc(C#CCCO)cc1 ZINC000034484015 345835075 /nfs/dbraw/zinc/83/50/75/345835075.db2.gz WGUUBURBXCPSLP-CQSZACIVSA-N 0 0 246.306 2.087 10 0 BEAERN CC[C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000034482544 345835200 /nfs/dbraw/zinc/83/52/00/345835200.db2.gz JFVCTUYBEURQPE-LLVKDONJSA-N 0 0 222.284 2.437 10 0 BEAERN C[C@H]1C=CN(Cc2ccccc2)C=C1C(N)=O ZINC000137118259 345837013 /nfs/dbraw/zinc/83/70/13/345837013.db2.gz QQBNXTVIFDZWEU-NSHDSACASA-N 0 0 228.295 2.021 10 0 BEAERN Cc1c(N)nsc1NCC(F)(F)F ZINC000235749820 345841046 /nfs/dbraw/zinc/84/10/46/345841046.db2.gz UUQWMNOOMSSEDR-UHFFFAOYSA-N 0 0 211.212 2.008 10 0 BEAERN CC(C)c1ccccc1-n1cc(C=O)nn1 ZINC000085272231 345929895 /nfs/dbraw/zinc/92/98/95/345929895.db2.gz NYLVLUSKJASMHZ-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN Cc1nccc(-c2ccc(C=O)s2)n1 ZINC000082380413 345908662 /nfs/dbraw/zinc/90/86/62/345908662.db2.gz DBXBSTXEKGEPOG-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN Cc1nc(N)cc(-c2c(F)cccc2F)n1 ZINC000084026892 345920679 /nfs/dbraw/zinc/92/06/79/345920679.db2.gz ZFERFOHDJQOXLA-UHFFFAOYSA-N 0 0 221.210 2.312 10 0 BEAERN CCOC(=O)C(C)=C1C[C@H](C)O[C@@H](C)C1 ZINC000166928597 345954295 /nfs/dbraw/zinc/95/42/95/345954295.db2.gz VXNFFBBHLDJHQN-IUCAKERBSA-N 0 0 212.289 2.453 10 0 BEAERN Cc1cccc(C(=O)C2(O)CCCC2)c1 ZINC000235885852 345957628 /nfs/dbraw/zinc/95/76/28/345957628.db2.gz IZIOBSGPTZHSHL-UHFFFAOYSA-N 0 0 204.269 2.483 10 0 BEAERN Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)C2 ZINC000191887756 178950044 /nfs/dbraw/zinc/95/00/44/178950044.db2.gz ZRVXYDXIRBWKRL-GWCFXTLKSA-N 0 0 247.338 2.115 10 0 BEAERN CCOC(=O)C(C)=C1CCSCC1 ZINC000166933298 345958620 /nfs/dbraw/zinc/95/86/20/345958620.db2.gz GBOMINCOFVVBMR-UHFFFAOYSA-N 0 0 200.303 2.393 10 0 BEAERN O=[N+]([O-])/C=C/c1cncc2ccccc12 ZINC000166961472 345961390 /nfs/dbraw/zinc/96/13/90/345961390.db2.gz FMUJRWRSPCTDPN-AATRIKPKSA-N 0 0 200.197 2.482 10 0 BEAERN CC1CC[NH+](C2CCC(C(=O)[O-])CC2)CC1 ZINC000086684107 345936604 /nfs/dbraw/zinc/93/66/04/345936604.db2.gz KSHCFAOINRGGJT-UHFFFAOYSA-N 0 0 225.332 2.362 10 0 BEAERN Cc1occc1Sc1ncc(C=O)cn1 ZINC000235869773 345948900 /nfs/dbraw/zinc/94/89/00/345948900.db2.gz NTDVYDBWFDNLEY-UHFFFAOYSA-N 0 0 220.253 2.342 10 0 BEAERN Cc1cc(C)c(Cn2cc(C=O)nn2)c(C)c1 ZINC000090295136 345967024 /nfs/dbraw/zinc/96/70/24/345967024.db2.gz FNCGVSLAKJDRII-UHFFFAOYSA-N 0 0 229.283 2.064 10 0 BEAERN Cc1cccc(CC(=O)NCC[C@@H]2CCCO2)c1 ZINC000074850455 345973674 /nfs/dbraw/zinc/97/36/74/345973674.db2.gz VIKISAPWYNXULE-AWEZNQCLSA-N 0 0 247.338 2.223 10 0 BEAERN CCc1nn(C[C@H]2C[C@H]2C)c(CC)c1N ZINC000722671241 537929117 /nfs/dbraw/zinc/92/91/17/537929117.db2.gz WGVQHYKJTMDMSI-RKDXNWHRSA-N 0 0 207.321 2.246 10 0 BEAERN CCCC(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000070236628 168541320 /nfs/dbraw/zinc/54/13/20/168541320.db2.gz ZHXHNTZQXNURGR-LLVKDONJSA-N 0 0 220.316 2.500 10 0 BEAERN Nc1cnn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000075918522 537931521 /nfs/dbraw/zinc/93/15/21/537931521.db2.gz WERXQYSNCYOIDT-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN COC(=O)C(C)(C)CSC[C@@H](O)C(C)(C)C ZINC000601086681 346017018 /nfs/dbraw/zinc/01/70/18/346017018.db2.gz MFMFMHZDUICFGD-SECBINFHSA-N 0 0 248.388 2.326 10 0 BEAERN CC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000300585566 346060032 /nfs/dbraw/zinc/06/00/32/346060032.db2.gz JHFGHHFWKWQZFH-JGPRNRPPSA-N 0 0 207.317 2.339 10 0 BEAERN CC(=O)c1ccc(Sc2nncs2)cn1 ZINC000148083351 346032379 /nfs/dbraw/zinc/03/23/79/346032379.db2.gz WYIUYMXQCWFCSP-UHFFFAOYSA-N 0 0 237.309 2.287 10 0 BEAERN CCN1CCc2c3ccccc3[nH]c2[C@H]1CO ZINC000095890857 346076665 /nfs/dbraw/zinc/07/66/65/346076665.db2.gz QVFPTENMBQXQMK-CYBMUJFWSA-N 0 0 230.311 2.079 10 0 BEAERN COc1ccc2[nH]c3c(c2c1)CCN3C(C)=O ZINC000095618676 346079739 /nfs/dbraw/zinc/07/97/39/346079739.db2.gz ZQJVLSOGSIIBCF-UHFFFAOYSA-N 0 0 230.267 2.086 10 0 world BEAERN Cc1ccc2nc(NC(N)=O)sc2c1 ZINC000019405706 178978354 /nfs/dbraw/zinc/97/83/54/178978354.db2.gz JZWHLFVLEOIGOW-UHFFFAOYSA-N 0 0 207.258 2.095 10 0 BEAERN O=c1c(O)cccn1Cc1ccc(Cl)cc1 ZINC000096173252 346102712 /nfs/dbraw/zinc/10/27/12/346102712.db2.gz WFROSYVMUUJSPL-UHFFFAOYSA-N 0 0 235.670 2.256 10 0 BEAERN C[C@H]1Oc2cc(F)c(Br)cc2[C@@H]1O ZINC000148424494 346107752 /nfs/dbraw/zinc/10/77/52/346107752.db2.gz NTOGOVAYUFKNDL-ALFREKQPSA-N 0 0 247.063 2.403 10 0 BEAERN CCOC(=O)c1nc2c(Cl)cccn2c1C ZINC000096320916 346112349 /nfs/dbraw/zinc/11/23/49/346112349.db2.gz IGWIWVRXNCVZEL-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN CCOC(=O)c1cc2cc(F)cc(N)c2[nH]1 ZINC000096320996 346112810 /nfs/dbraw/zinc/11/28/10/346112810.db2.gz DGADAXLVILCKNM-UHFFFAOYSA-N 0 0 222.219 2.066 10 0 BEAERN Cn1nc2c(c1N)C[C@@H](C(C)(C)C)CC2 ZINC000685952598 537943048 /nfs/dbraw/zinc/94/30/48/537943048.db2.gz OCPWDZRHXUXEFG-QMMMGPOBSA-N 0 0 207.321 2.153 10 0 BEAERN Nc1cc(Cl)cnc1Sc1nncs1 ZINC000148431196 346123864 /nfs/dbraw/zinc/12/38/64/346123864.db2.gz RRTYVHMSGUUKPF-UHFFFAOYSA-N 0 0 244.732 2.320 10 0 BEAERN Nc1cnn(CCc2ccc(Cl)cc2)c1 ZINC000077332943 537943746 /nfs/dbraw/zinc/94/37/46/537943746.db2.gz SBCRNEVYZGNKMG-UHFFFAOYSA-N 0 0 221.691 2.361 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)C[C@H](C)CC[C@@H]1C ZINC000669371850 537948538 /nfs/dbraw/zinc/94/85/38/537948538.db2.gz BSMCAZTXNOAYCM-XZUYRWCXSA-N 0 0 226.316 2.391 10 0 BEAERN CCc1ccc([C@@H](CC)S(=O)(=O)NC)cc1 ZINC000669375407 537953894 /nfs/dbraw/zinc/95/38/94/537953894.db2.gz JHYRWWZVELELDR-GFCCVEGCSA-N 0 0 241.356 2.249 10 0 BEAERN O=C(c1cc2c(s1)CCCC2)N1CC=CCN1 ZINC000628226513 346173327 /nfs/dbraw/zinc/17/33/27/346173327.db2.gz QXMZOAXTLYRTCP-UHFFFAOYSA-N 0 0 248.351 2.144 10 0 BEAERN Cc1coc(Sc2ccc(N)cn2)n1 ZINC000235948635 346173795 /nfs/dbraw/zinc/17/37/95/346173795.db2.gz KLGHETMHHTYSFA-UHFFFAOYSA-N 0 0 207.258 2.111 10 0 BEAERN O=C(CCSc1ccccc1)N1CC=CCN1 ZINC000628227627 346175689 /nfs/dbraw/zinc/17/56/89/346175689.db2.gz MUMOHXGPWIJYNU-UHFFFAOYSA-N 0 0 248.351 2.072 10 0 BEAERN CO[C@@H](C)CNc1ccc(F)c(F)c1 ZINC000166986854 346176599 /nfs/dbraw/zinc/17/65/99/346176599.db2.gz RDXWRBQDDPGYBZ-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN O=C([C@H]1CCCc2ccccc21)N1CC=CCN1 ZINC000628225596 346177037 /nfs/dbraw/zinc/17/70/37/346177037.db2.gz GOGNJJSENYPSFP-AWEZNQCLSA-N 0 0 242.322 2.010 10 0 BEAERN CCCC[C@@H](CC)C(=O)N1CC=CCN1 ZINC000628225599 346177436 /nfs/dbraw/zinc/17/74/36/346177436.db2.gz GPSSNJWGSRPKCP-LLVKDONJSA-N 0 0 210.321 2.106 10 0 BEAERN Cc1cccc(-c2sc(N)nc2N)c1 ZINC000082532347 179000302 /nfs/dbraw/zinc/00/03/02/179000302.db2.gz SSGAYJRDEMUMSE-UHFFFAOYSA-N 0 0 205.286 2.283 10 0 BEAERN Cc1cccc(-c2nsc(N)n2)c1C ZINC000043314305 179000321 /nfs/dbraw/zinc/00/03/21/179000321.db2.gz XZUPQSBYTCKJEI-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000669375718 537956043 /nfs/dbraw/zinc/95/60/43/537956043.db2.gz RQLKJSVCXVNRJD-VHSXEESVSA-N 0 0 233.377 2.141 10 0 BEAERN Fc1cc(F)c(OCC(F)(F)F)nc1F ZINC000236174090 346205343 /nfs/dbraw/zinc/20/53/43/346205343.db2.gz YRVQEBMGGNZMRL-UHFFFAOYSA-N 0 0 231.095 2.440 10 0 BEAERN O[C@@H](Cc1ccsc1)C1CCOCC1 ZINC000062137379 346206946 /nfs/dbraw/zinc/20/69/46/346206946.db2.gz KCNBKOCTDMICDX-NSHDSACASA-N 0 0 212.314 2.078 10 0 BEAERN C[C@H]1C[C@@H]1CNc1nsnc1Cl ZINC000167231042 346215067 /nfs/dbraw/zinc/21/50/67/346215067.db2.gz PVEBVXUMKOLEFK-CRCLSJGQSA-N 0 0 203.698 2.259 10 0 BEAERN CO[C@@H](C)CNc1cccc(F)c1F ZINC000167025021 346182216 /nfs/dbraw/zinc/18/22/16/346182216.db2.gz UBFXDKFCUMPRPZ-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN Cc1ccc(Cl)c(C(N)=O)c1Cl ZINC000167038103 346184693 /nfs/dbraw/zinc/18/46/93/346184693.db2.gz KWLZBQCPRJPZQH-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN O=C(Nc1nccc(Cl)n1)C1CCCC1 ZINC000236044643 346186424 /nfs/dbraw/zinc/18/64/24/346186424.db2.gz SRJSVHUMLVZBNK-UHFFFAOYSA-N 0 0 225.679 2.259 10 0 BEAERN Clc1nnc(CSc2ncco2)s1 ZINC000236077967 346188844 /nfs/dbraw/zinc/18/88/44/346188844.db2.gz QYUCGBZXAWJTBI-UHFFFAOYSA-N 0 0 233.705 2.472 10 0 BEAERN Cn1cnnc1-c1ccc(Cl)c(F)c1 ZINC000236075447 346189261 /nfs/dbraw/zinc/18/92/61/346189261.db2.gz FGVFRXXRPDVDHE-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN Clc1ccc(Sc2ncc[nH]2)nn1 ZINC000236060536 346192714 /nfs/dbraw/zinc/19/27/14/346192714.db2.gz PAEUNTBPICNRLX-UHFFFAOYSA-N 0 0 212.665 2.004 10 0 BEAERN CC[C@@H](NN)c1sccc1Br ZINC000167107245 346192765 /nfs/dbraw/zinc/19/27/65/346192765.db2.gz OFPYCLHPHJMRAU-ZCFIWIBFSA-N 0 0 235.150 2.425 10 0 BEAERN CC1CCN(c2nc(Cl)nc(Cl)n2)CC1 ZINC000005416774 346215567 /nfs/dbraw/zinc/21/55/67/346215567.db2.gz VDKWHSHJIFOLKY-UHFFFAOYSA-N 0 0 247.129 2.415 10 0 BEAERN Clc1cc(SC2CCOCC2)ncn1 ZINC000062054799 346194553 /nfs/dbraw/zinc/19/45/53/346194553.db2.gz SQEPIZWPPIGNKJ-UHFFFAOYSA-N 0 0 230.720 2.401 10 0 BEAERN Cc1cccc(C(=O)N(C)C)c1OC1CC1 ZINC000095725361 179004071 /nfs/dbraw/zinc/00/40/71/179004071.db2.gz AWQONUVVENLIJO-UHFFFAOYSA-N 0 0 219.284 2.238 10 0 BEAERN Nc1cc(NCC2CCSCC2)sn1 ZINC000236357246 346229755 /nfs/dbraw/zinc/22/97/55/346229755.db2.gz NMKYERICUJKUEU-UHFFFAOYSA-N 0 0 229.374 2.280 10 0 BEAERN Cc1cccc(C(=O)CN2CCCO[C@H](C)C2)c1 ZINC000061919850 179004366 /nfs/dbraw/zinc/00/43/66/179004366.db2.gz ZGBRIODFVORUHA-CYBMUJFWSA-N 0 0 247.338 2.289 10 0 BEAERN O=Cc1cccnc1Sc1ncco1 ZINC000236409434 346236370 /nfs/dbraw/zinc/23/63/70/346236370.db2.gz JNVPHZWACMYKMZ-UHFFFAOYSA-N 0 0 206.226 2.033 10 0 BEAERN Nc1csc(-c2ccc(O)cc2F)n1 ZINC000236379082 346231579 /nfs/dbraw/zinc/23/15/79/346231579.db2.gz SLSQHSFXECPTEM-UHFFFAOYSA-N 0 0 210.233 2.237 10 0 BEAERN Nc1nsc(-c2ccoc2Br)n1 ZINC000236374394 346231588 /nfs/dbraw/zinc/23/15/88/346231588.db2.gz GPUUMZKLSANEBV-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Nc1ncnc(OCc2ccccc2)c1Cl ZINC000236362061 346232264 /nfs/dbraw/zinc/23/22/64/346232264.db2.gz TZQMSKVRINAFOK-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN Nc1cc(NC[C@@H]2CCCS2)sn1 ZINC000236362372 346232304 /nfs/dbraw/zinc/23/23/04/346232304.db2.gz UCAQOXJLCJKGEZ-LURJTMIESA-N 0 0 215.347 2.033 10 0 BEAERN Nc1nnc(-c2ccoc2Cl)s1 ZINC000236383577 346233149 /nfs/dbraw/zinc/23/31/49/346233149.db2.gz XWESULCDJPUKAQ-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN FC(F)C(F)(F)c1nnc(Br)o1 ZINC000236262011 346217981 /nfs/dbraw/zinc/21/79/81/346217981.db2.gz CCXYEUMGIULPHP-UHFFFAOYSA-N 0 0 248.961 2.189 10 0 BEAERN O=C1CCOC[C@@H]1CCc1ccsc1 ZINC000236412667 346237055 /nfs/dbraw/zinc/23/70/55/346237055.db2.gz IOPUNYZBBOKRKM-JTQLQIEISA-N 0 0 210.298 2.286 10 0 BEAERN OC1(CCC2CC2)CCC2(CC1)OCCO2 ZINC000236479405 346243490 /nfs/dbraw/zinc/24/34/90/346243490.db2.gz BAYLTWZEDWBMHK-UHFFFAOYSA-N 0 0 226.316 2.225 10 0 BEAERN OCC1(Nc2cccc(Br)c2)CC1 ZINC000236489786 346244915 /nfs/dbraw/zinc/24/49/15/346244915.db2.gz NEXZSNJTDFSRON-UHFFFAOYSA-N 0 0 242.116 2.386 10 0 BEAERN O[C@@H](c1ccc(Cl)cc1)[C@@H](O)C1CC1 ZINC000236522491 346245934 /nfs/dbraw/zinc/24/59/34/346245934.db2.gz VNWGQNNOPULWJC-QWRGUYRKSA-N 0 0 212.676 2.144 10 0 BEAERN S=C1N=NC(c2ccoc2Br)N1 ZINC000236616874 346261020 /nfs/dbraw/zinc/26/10/20/346261020.db2.gz NCTPVBKOKKUZIL-UHFFFAOYSA-N 0 0 246.089 2.116 10 0 BEAERN Cc1cccc(C(=O)Nc2cc(N)ccc2F)n1 ZINC000022220692 179025323 /nfs/dbraw/zinc/02/53/23/179025323.db2.gz UOSSNTMDXZNFHB-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN C[C@@H]1CC[C@](CC(=O)OC(C)(C)C)(ON)C1 ZINC000675052565 537963857 /nfs/dbraw/zinc/96/38/57/537963857.db2.gz BJYZPGKIKYMFFR-SKDRFNHKSA-N 0 0 229.320 2.167 10 0 BEAERN CC(C)CC(=O)[C@H](N)c1ccc(F)cc1 ZINC000669376722 537962338 /nfs/dbraw/zinc/96/23/38/537962338.db2.gz KTDLCIWZRHMAMP-GFCCVEGCSA-N 0 0 209.264 2.441 10 0 BEAERN COc1ccc([C@@H](N)C(=O)CC(C)C)cc1 ZINC000669376661 537962601 /nfs/dbraw/zinc/96/26/01/537962601.db2.gz GEVZRPXGRLHIQM-CYBMUJFWSA-N 0 0 221.300 2.310 10 0 BEAERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1C[C@@H]1C ZINC000332938558 537966805 /nfs/dbraw/zinc/96/68/05/537966805.db2.gz PENRDRYXRSCVLM-XVKPBYJWSA-N 0 0 234.299 2.074 10 0 BEAERN Cc1cccc(C)c1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000137567094 179031833 /nfs/dbraw/zinc/03/18/33/179031833.db2.gz IUUUSVWNWGRRLR-OLZOCXBDSA-N 0 0 247.338 2.194 10 0 BEAERN Cc1nnc(Sc2cccc(N)c2)o1 ZINC000051037571 346298329 /nfs/dbraw/zinc/29/83/29/346298329.db2.gz PREPIOLSXMFJEF-UHFFFAOYSA-N 0 0 207.258 2.111 10 0 BEAERN COC(=O)c1c(F)cccc1OC(F)F ZINC000148517829 346299891 /nfs/dbraw/zinc/29/98/91/346299891.db2.gz AVZXGEUXPCUKRZ-UHFFFAOYSA-N 0 0 220.146 2.214 10 0 BEAERN Cc1cccc(C(N)=S)c1Br ZINC000083357115 179028557 /nfs/dbraw/zinc/02/85/57/179028557.db2.gz OMQMIYWRYJDCCD-UHFFFAOYSA-N 0 0 230.130 2.392 10 0 BEAERN C[C@H](CNc1ncns1)c1nccs1 ZINC000230609399 346332904 /nfs/dbraw/zinc/33/29/04/346332904.db2.gz RKSZQRFANOHZJS-ZCFIWIBFSA-N 0 0 226.330 2.210 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000300712894 346373813 /nfs/dbraw/zinc/37/38/13/346373813.db2.gz QZBJIQFHXXOUFV-MMWGEVLESA-N 0 0 234.299 2.206 10 0 BEAERN COC(=O)c1ccnc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000603406947 349957001 /nfs/dbraw/zinc/95/70/01/349957001.db2.gz PIURAVPWJSVTFJ-MVWJERBFSA-N 0 0 246.310 2.469 10 0 BEAERN Cc1ccnc(-c2cc(C)nc(F)c2)n1 ZINC000669379133 537975022 /nfs/dbraw/zinc/97/50/22/537975022.db2.gz SZNWNVXAERRTSS-UHFFFAOYSA-N 0 0 203.220 2.295 10 0 BEAERN COc1ccc([C@H](O)C(F)F)c(F)c1 ZINC000158232626 346392053 /nfs/dbraw/zinc/39/20/53/346392053.db2.gz AJYWXFWZASRIJZ-QMMMGPOBSA-N 0 0 206.163 2.133 10 0 BEAERN CC(C)C(C)(C)S(=O)(=O)CC1CC1 ZINC000200495232 346426453 /nfs/dbraw/zinc/42/64/53/346426453.db2.gz COLXARQMCAQMST-UHFFFAOYSA-N 0 0 204.335 2.246 10 0 BEAERN Cc1csc([C@H]2NCCCS2)n1 ZINC000159621221 346426895 /nfs/dbraw/zinc/42/68/95/346426895.db2.gz BYIADZNBSUKSBR-ZETCQYMHSA-N 0 0 200.332 2.177 10 0 BEAERN CC(C)CC[NH2+]Cc1nc(CN(C)C)cs1 ZINC000669379440 537979147 /nfs/dbraw/zinc/97/91/47/537979147.db2.gz BPFSVSILYBBKKX-UHFFFAOYSA-N 0 0 241.404 2.340 10 0 BEAERN Cc1cccc(CNC(=O)c2cccs2)n1 ZINC000048736535 179088819 /nfs/dbraw/zinc/08/88/19/179088819.db2.gz CDABZKABRFXNBQ-UHFFFAOYSA-N 0 0 232.308 2.382 10 0 BEAERN CCOC(=O)[C@@H](O)C1=CC[C@H](C(C)C)CC1 ZINC000675054947 537980632 /nfs/dbraw/zinc/98/06/32/537980632.db2.gz XIEQIANLJYYWJP-JQWIXIFHSA-N 0 0 226.316 2.293 10 0 BEAERN Cc1cccc(CNC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000187909755 179088898 /nfs/dbraw/zinc/08/88/98/179088898.db2.gz LOVPZNAHHLJHEL-JSGCOSHPSA-N 0 0 247.338 2.426 10 0 BEAERN CCOC(=O)[C@H](O)C1=CC[C@H](C(C)C)CC1 ZINC000675054945 537980723 /nfs/dbraw/zinc/98/07/23/537980723.db2.gz XIEQIANLJYYWJP-CMPLNLGQSA-N 0 0 226.316 2.293 10 0 BEAERN C[C@@H]1CN(c2csc(C=O)c2)[C@H](C)CO1 ZINC000160528818 346456565 /nfs/dbraw/zinc/45/65/65/346456565.db2.gz QJCYYJXCLYFBTJ-RKDXNWHRSA-N 0 0 225.313 2.174 10 0 BEAERN CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300574417 346465458 /nfs/dbraw/zinc/46/54/58/346465458.db2.gz WJZZIRAXNUCFAN-RMPHRYRLSA-N 0 0 207.317 2.337 10 0 BEAERN CO[C@@H]1[C@H](C)[C@H](NCC(C)(F)F)C12CCC2 ZINC000382039103 347094123 /nfs/dbraw/zinc/09/41/23/347094123.db2.gz WXPXQXLYMOXFJQ-KXUCPTDWSA-N 0 0 233.302 2.435 10 0 BEAERN C[C@@H]1C[C@H](C(=O)Cc2ccsc2)CO1 ZINC000162110969 346509879 /nfs/dbraw/zinc/50/98/79/346509879.db2.gz CWWNZYFHURVIBX-SCZZXKLOSA-N 0 0 210.298 2.285 10 0 BEAERN COC(=O)c1nc(-c2nccs2)sc1C ZINC000161486527 346490298 /nfs/dbraw/zinc/49/02/98/346490298.db2.gz QZWYRXJCGLVFCQ-UHFFFAOYSA-N 0 0 240.309 2.362 10 0 BEAERN COc1cc2c(cc1OC)C[C@H](C)C(=O)C2 ZINC000199396783 346494146 /nfs/dbraw/zinc/49/41/46/346494146.db2.gz FJXZSMLFKLYAIV-QMMMGPOBSA-N 0 0 220.268 2.008 10 0 BEAERN COc1ccc(C2C(C)=NN(C)C2=O)cc1 ZINC000675055029 537981633 /nfs/dbraw/zinc/98/16/33/537981633.db2.gz XWHMWNKGHQNMFA-UHFFFAOYSA-N 0 0 218.256 2.110 10 0 BEAERN Cc1cccc(N(C)C[C@@H](O)C(F)(F)F)c1 ZINC000109706827 179115668 /nfs/dbraw/zinc/11/56/68/179115668.db2.gz DJCBZTLHETVHKZ-SNVBAGLBSA-N 0 0 233.233 2.354 10 0 BEAERN CC(C)(Br)C(=O)NC1(C)CCC1 ZINC000162868453 346541111 /nfs/dbraw/zinc/54/11/11/346541111.db2.gz IDYRQTRSUWXDEJ-UHFFFAOYSA-N 0 0 234.137 2.219 10 0 BEAERN Cc1cccc(N)c1C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000049715770 179118927 /nfs/dbraw/zinc/11/89/27/179118927.db2.gz FGZNYLCRRUKURB-WDEREUQCSA-N 0 0 230.311 2.202 10 0 BEAERN Cc1cccc(Cn2nccc2N)c1C ZINC000043314371 179108943 /nfs/dbraw/zinc/10/89/43/179108943.db2.gz YEFDJMCFGSGYOS-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1cccc(N)c1NC(=O)[C@@H]1C[C@@H]1C ZINC000036925514 179120793 /nfs/dbraw/zinc/12/07/93/179120793.db2.gz HXOJVXVVLCGLRL-DTWKUNHWSA-N 0 0 204.273 2.172 10 0 BEAERN Cc1oncc1C(=O)Nc1c(C)cccc1N ZINC000034974114 179120979 /nfs/dbraw/zinc/12/09/79/179120979.db2.gz LUAHRYXXRXLSDA-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cccc(N2NC[C@@H]3C(=O)CCC[C@@H]32)c1C ZINC000261507362 179123266 /nfs/dbraw/zinc/12/32/66/179123266.db2.gz HTPYWUSNYJOEHF-JSGCOSHPSA-N 0 0 244.338 2.366 10 0 BEAERN Cc1csc(COC2CCC(=O)CC2)n1 ZINC000164155637 346593193 /nfs/dbraw/zinc/59/31/93/346593193.db2.gz ULBSBPVQRWXHSI-UHFFFAOYSA-N 0 0 225.313 2.480 10 0 BEAERN CCNC(=S)N1[C@H](C)CC[C@@H]1CC ZINC000164489018 346606827 /nfs/dbraw/zinc/60/68/27/346606827.db2.gz XTKRUJIJUYTROU-BDAKNGLRSA-N 0 0 200.351 2.144 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CCC[C@H](C)C1 ZINC000022223253 179120030 /nfs/dbraw/zinc/12/00/30/179120030.db2.gz COXKAEKZLFVAQM-JTQLQIEISA-N 0 0 232.327 2.449 10 0 BEAERN CCOC(=O)[C@@H]1C[C@@H]1c1cnc2[nH]ccc2c1 ZINC000165294487 346647166 /nfs/dbraw/zinc/64/71/66/346647166.db2.gz WKOBKBSBABFUCN-GHMZBOCLSA-N 0 0 230.267 2.230 10 0 BEAERN Cc1ccc(CNO)cc1Br ZINC000164761734 346623690 /nfs/dbraw/zinc/62/36/90/346623690.db2.gz ITOHCAVIVXNGGJ-UHFFFAOYSA-N 0 0 216.078 2.236 10 0 BEAERN Cc1ncn(CC(=O)Nc2cccc(C)c2)c1C ZINC000112980483 179130476 /nfs/dbraw/zinc/13/04/76/179130476.db2.gz ZUINWHWTXIQLSK-UHFFFAOYSA-N 0 0 243.310 2.447 10 0 BEAERN CC(C)(C)NC(=O)[C@@]1(C)CCCS1 ZINC000164774123 346624821 /nfs/dbraw/zinc/62/48/21/346624821.db2.gz CZJUFOUQYKCKIX-SNVBAGLBSA-N 0 0 201.335 2.187 10 0 BEAERN O=C1CSC[C@@H]1Cc1cc(F)cc(F)c1 ZINC000164856427 346629742 /nfs/dbraw/zinc/62/97/42/346629742.db2.gz ANQQOHPBTDGHCY-QMMMGPOBSA-N 0 0 228.263 2.439 10 0 BEAERN CC(=O)CCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000203511553 346636781 /nfs/dbraw/zinc/63/67/81/346636781.db2.gz KYICKQLVVKMSQN-ZJUUUORDSA-N 0 0 211.305 2.003 10 0 BEAERN CC(=O)CCC(=O)N1CCCCC[C@@H]1C ZINC000203581721 346640331 /nfs/dbraw/zinc/64/03/31/346640331.db2.gz MJWWKEIIYPYSDX-JTQLQIEISA-N 0 0 211.305 2.147 10 0 BEAERN OC[C@@H]1CCCCN1c1nc(Cl)cs1 ZINC000165125653 346642773 /nfs/dbraw/zinc/64/27/73/346642773.db2.gz REBMTRYZFKTPLO-ZETCQYMHSA-N 0 0 232.736 2.148 10 0 BEAERN Cc1cccc(NCC(=O)NCC(C)C)c1 ZINC000020034660 179143582 /nfs/dbraw/zinc/14/35/82/179143582.db2.gz FFMGYQATEDRSQI-UHFFFAOYSA-N 0 0 220.316 2.179 10 0 BEAERN Cc1nc(C)n(CCNc2cccc(C)c2)n1 ZINC000053541542 179147014 /nfs/dbraw/zinc/14/70/14/179147014.db2.gz WZOPWGZNVAIAJC-UHFFFAOYSA-N 0 0 230.315 2.315 10 0 BEAERN Cc1cccc(N[C@H]2CCCCNC2=O)c1C ZINC000020055899 179157951 /nfs/dbraw/zinc/15/79/51/179157951.db2.gz SLRDBYWKQFCKIB-ZDUSSCGKSA-N 0 0 232.327 2.384 10 0 BEAERN C[C@H](Nc1nnnn1C)c1ccc(Cl)s1 ZINC000062939138 346752449 /nfs/dbraw/zinc/75/24/49/346752449.db2.gz GIYGXHACTVRGDS-YFKPBYRVSA-N 0 0 243.723 2.098 10 0 BEAERN Cc1cccc(Nc2ncc(N)cn2)c1 ZINC000040455541 179159789 /nfs/dbraw/zinc/15/97/89/179159789.db2.gz NUBIKKCZQJQFAU-UHFFFAOYSA-N 0 0 200.245 2.111 10 0 BEAERN Cc1cccc(OC2CC2)c1C(=O)N(C)C ZINC000095724056 179163292 /nfs/dbraw/zinc/16/32/92/179163292.db2.gz WRSVWGUCAPKMLB-UHFFFAOYSA-N 0 0 219.284 2.238 10 0 BEAERN Cc1cccc(OCc2nnsc2N)c1C ZINC000050830746 179173921 /nfs/dbraw/zinc/17/39/21/179173921.db2.gz NKCPUTVDTCPPNC-UHFFFAOYSA-N 0 0 235.312 2.316 10 0 BEAERN Cc1nn(C)c(Oc2cccc(C)c2)c1N ZINC000036749488 179175587 /nfs/dbraw/zinc/17/55/87/179175587.db2.gz IEGRORAKSCNPCE-UHFFFAOYSA-N 0 0 217.272 2.411 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000387907663 347126027 /nfs/dbraw/zinc/12/60/27/347126027.db2.gz FTVYAYXTKWGABW-LPWJVIDDSA-N 0 0 239.359 2.040 10 0 BEAERN Cc1cccc(Sc2cnc(=O)[nH]c2)c1 ZINC000025986445 179176859 /nfs/dbraw/zinc/17/68/59/179176859.db2.gz QZJLOMGXKXJKGK-UHFFFAOYSA-N 0 0 218.281 2.230 10 0 BEAERN CC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000038918272 347170640 /nfs/dbraw/zinc/17/06/40/347170640.db2.gz MSTQWPYYJTYBNO-ZWNOBZJWSA-N 0 0 231.295 2.185 10 0 BEAERN O=c1ccoc2c1O[C@@H](c1ccccc1)OC2 ZINC000038953381 347171688 /nfs/dbraw/zinc/17/16/88/347171688.db2.gz FIXVHOCMQJOHJQ-ZDUSSCGKSA-N 0 0 230.219 2.248 10 0 BEAERN CC(=O)N[C@H]1Cc2cccc3cccc(c32)C1=O ZINC000039042339 347175040 /nfs/dbraw/zinc/17/50/40/347175040.db2.gz DMYZTRHRDBAQIA-ZDUSSCGKSA-N 0 0 239.274 2.083 10 0 BEAERN O=Cc1cccc(-c2ccccc(=O)c2O)c1 ZINC000039150289 347181328 /nfs/dbraw/zinc/18/13/28/347181328.db2.gz FJONZVMOUMGVNY-UHFFFAOYSA-N 0 0 226.231 2.232 10 0 BEAERN CCN(CC)C(N(CC)CC)N(CC)CC ZINC000039238641 347187384 /nfs/dbraw/zinc/18/73/84/347187384.db2.gz LWTVYBUPLDMZQB-UHFFFAOYSA-N 0 0 229.412 2.295 10 0 BEAERN CC(C)[C@](C)(O)Cn1nccc1-c1ccncc1 ZINC000185032406 347189034 /nfs/dbraw/zinc/18/90/34/347189034.db2.gz QOJZIWPBRLAPBY-CQSZACIVSA-N 0 0 245.326 2.352 10 0 BEAERN COC(=O)c1cncc(OC(F)(F)F)c1C ZINC000390224759 347286425 /nfs/dbraw/zinc/28/64/25/347286425.db2.gz AOYSZQFMTJYQRZ-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CC(C)[N@H+](C)[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250532792 362809038 /nfs/dbraw/zinc/80/90/38/362809038.db2.gz XNYDSZGEYMVJQM-MNOVXSKESA-N 0 0 213.321 2.360 10 0 BEAERN Cc1cccc([C@H](N)c2ncccn2)c1C ZINC000053329516 179201219 /nfs/dbraw/zinc/20/12/19/179201219.db2.gz DKVPONUCXJAHQG-LBPRGKRZSA-N 0 0 213.284 2.142 10 0 BEAERN CCCC[C@@H](C)C(=O)N1CC[C@@H](CCO)C1 ZINC000301005931 347326519 /nfs/dbraw/zinc/32/65/19/347326519.db2.gz YWXXHPKMGOXKCV-NEPJUHHUSA-N 0 0 227.348 2.044 10 0 BEAERN C[C@](O)(c1ccccc1)c1ccc(N)c(N)c1 ZINC000114986567 347354306 /nfs/dbraw/zinc/35/43/06/347354306.db2.gz HIHLDYIWRYOYCT-AWEZNQCLSA-N 0 0 228.295 2.107 10 0 BEAERN CC1(CC(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)CC1 ZINC000334505195 133660004 /nfs/dbraw/zinc/66/00/04/133660004.db2.gz PTTZNNXRZFDFLD-NWDGAFQWSA-N 0 0 249.354 2.204 10 0 BEAERN CCOC(=O)[C@@H](O)C1(F)CCC(C)(C)CC1 ZINC000675055254 537989612 /nfs/dbraw/zinc/98/96/12/537989612.db2.gz ZPFDPSFBEOFSQD-SECBINFHSA-N 0 0 232.295 2.219 10 0 BEAERN Nc1ccc(SCn2cccn2)cc1 ZINC000149644167 347399783 /nfs/dbraw/zinc/39/97/83/347399783.db2.gz WLEOESWDPMMEFE-UHFFFAOYSA-N 0 0 205.286 2.215 10 0 BEAERN Cc1cccc2nc([C@@H]3CCCO3)[nH]c(=O)c12 ZINC000333709476 179231708 /nfs/dbraw/zinc/23/17/08/179231708.db2.gz LXUOBZFKKDEHCI-JTQLQIEISA-N 0 0 230.267 2.495 10 0 BEAERN Cc1ccccc1-c1c(N)n[nH]c1-c1cn[nH]c1 ZINC000062777689 179233768 /nfs/dbraw/zinc/23/37/68/179233768.db2.gz BEYCZVOPIGTYMW-UHFFFAOYSA-N 0 0 239.282 2.357 10 0 BEAERN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000616242717 347432444 /nfs/dbraw/zinc/43/24/44/347432444.db2.gz WQFMCDPLHSIMIQ-HTXLXMOSSA-N 0 0 219.328 2.337 10 0 BEAERN CC(=O)c1cccc(C(F)(F)F)c1N ZINC000204800269 347442153 /nfs/dbraw/zinc/44/21/53/347442153.db2.gz WERMHSRTNJXUID-UHFFFAOYSA-N 0 0 203.163 2.490 10 0 BEAERN Cc1cccc2nc(Br)cn21 ZINC000082373789 179227836 /nfs/dbraw/zinc/22/78/36/179227836.db2.gz OCSFVNFATRBGAW-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN Cc1cc2nc(C(C)(C)C)nn2c(O)c1 ZINC000725243268 537990889 /nfs/dbraw/zinc/99/08/89/537990889.db2.gz TZMKPBZQUMLLKC-UHFFFAOYSA-N 0 0 205.261 2.041 10 0 BEAERN Cc1cc2nc(C(C)(C)C)nn2c(O)c1C ZINC000725243251 537990721 /nfs/dbraw/zinc/99/07/21/537990721.db2.gz SKWIEZAPJQNLOD-UHFFFAOYSA-N 0 0 219.288 2.349 10 0 BEAERN CC1CCN(C(=O)c2cccc(F)c2N)CC1 ZINC000054205649 1172092573 /nfs/dbraw/zinc/09/25/73/1172092573.db2.gz LIERNRWMJJHKAW-UHFFFAOYSA-N 0 0 236.290 2.280 10 0 BEAERN COC(=O)c1csc([C@H]2CC[C@@H](C)O2)n1 ZINC000149808783 347521297 /nfs/dbraw/zinc/52/12/97/347521297.db2.gz CZTNEYDCIPPNHS-HTRCEHHLSA-N 0 0 227.285 2.170 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000302389333 347532177 /nfs/dbraw/zinc/53/21/77/347532177.db2.gz NPTHUXQISUIGLU-RWMBFGLXSA-N 0 0 241.375 2.480 10 0 BEAERN Fc1cc(OCc2ccccc2)ncn1 ZINC000149877327 347543126 /nfs/dbraw/zinc/54/31/26/347543126.db2.gz FVTVLILGQDFSFC-UHFFFAOYSA-N 0 0 204.204 2.195 10 0 BEAERN Cc1ccccc1C(=O)N1CCCC[C@H](CO)C1 ZINC000377246092 179247850 /nfs/dbraw/zinc/24/78/50/179247850.db2.gz QZKPKEBVNXPVIZ-ZDUSSCGKSA-N 0 0 247.338 2.230 10 0 BEAERN COc1cc(Cl)cc(Cl)c1CO ZINC000149941725 347571837 /nfs/dbraw/zinc/57/18/37/347571837.db2.gz DTKWSPKOSFWHIL-UHFFFAOYSA-N 0 0 207.056 2.494 10 0 BEAERN Cc1ccccc1CCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000123693019 179265645 /nfs/dbraw/zinc/26/56/45/179265645.db2.gz DTUFOYKITWQZOR-GXTWGEPZSA-N 0 0 247.338 2.221 10 0 BEAERN CCc1c(O)n2ncnc2cc1C(C)C ZINC000725243202 537991250 /nfs/dbraw/zinc/99/12/50/537991250.db2.gz POGYYBHYPLEKGL-UHFFFAOYSA-N 0 0 205.261 2.121 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccccc2C)c1N ZINC000036131536 179271346 /nfs/dbraw/zinc/27/13/46/179271346.db2.gz OJEWABFMSYFVHY-UHFFFAOYSA-N 0 0 244.342 2.256 10 0 BEAERN Nc1cnn(-c2nc(Cl)nc3ccccc32)c1 ZINC000616569357 347648956 /nfs/dbraw/zinc/64/89/56/347648956.db2.gz KAONMBVUXNECDN-UHFFFAOYSA-N 0 0 245.673 2.051 10 0 BEAERN Oc1cc(CC2CC2)cc2nc(C3CC3)nn21 ZINC000725243216 537991861 /nfs/dbraw/zinc/99/18/61/537991861.db2.gz QFTSBFUGISCCFV-UHFFFAOYSA-N 0 0 229.283 2.265 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CC1CC(C)(C)C1 ZINC000334533879 133689778 /nfs/dbraw/zinc/68/97/78/133689778.db2.gz RFZNOEVTUKKICU-PWSUYJOCSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1c(N)cncc1-c1c(F)ccnc1F ZINC000669380923 537992561 /nfs/dbraw/zinc/99/25/61/537992561.db2.gz SURFXASFERKYNR-UHFFFAOYSA-N 0 0 221.210 2.312 10 0 BEAERN Cc1cnn(Cc2ccccc2C)c1N ZINC000026516985 179294153 /nfs/dbraw/zinc/29/41/53/179294153.db2.gz NRYXRHANUUUJNW-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN OCc1ccc(OCc2ccccc2)c(CO)c1 ZINC000196148729 347806592 /nfs/dbraw/zinc/80/65/92/347806592.db2.gz QVDOYURSPBPEIN-UHFFFAOYSA-N 0 0 244.290 2.250 10 0 BEAERN COc1cccc([C@@H](O)P(=O)(OC)OC)c1 ZINC000196350999 347868941 /nfs/dbraw/zinc/86/89/41/347868941.db2.gz LNPJPQXMONTLHK-JTQLQIEISA-N 0 0 246.199 2.172 10 0 BEAERN CON(C)c1ccc(Br)cc1N ZINC000036825546 347872527 /nfs/dbraw/zinc/87/25/27/347872527.db2.gz JSFVBFOORAHZHH-UHFFFAOYSA-N 0 0 231.093 2.029 10 0 BEAERN Cc1cccc(N2CCOCC2=O)c1Cl ZINC000725243853 537993325 /nfs/dbraw/zinc/99/33/25/537993325.db2.gz ATGIHMXYSINJMT-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN O=C1c2ccccc2COc2cc(CO)ccc21 ZINC000196396599 347875544 /nfs/dbraw/zinc/87/55/44/347875544.db2.gz WWCUGFBRVJHKCU-UHFFFAOYSA-N 0 0 240.258 2.302 10 0 BEAERN Cc1nn(C)c(Oc2ccccc2C)c1N ZINC000036749489 179314473 /nfs/dbraw/zinc/31/44/73/179314473.db2.gz AHJTTXVXZFLOHV-UHFFFAOYSA-N 0 0 217.272 2.411 10 0 BEAERN Cc1ccccc1S(=O)(=O)n1cccc1 ZINC000040404579 179315303 /nfs/dbraw/zinc/31/53/03/179315303.db2.gz OQNWLRHMYVSMSJ-UHFFFAOYSA-N 0 0 221.281 2.034 10 0 BEAERN O=C(Cc1ccsc1)NCc1cscn1 ZINC000050407204 323170180 /nfs/dbraw/zinc/17/01/80/323170180.db2.gz PZVVJTLUSJNYJI-UHFFFAOYSA-N 0 0 238.337 2.064 10 0 BEAERN CCc1nc(NC(=O)OC(C)(C)C)c[nH]1 ZINC000725243818 537995284 /nfs/dbraw/zinc/99/52/84/537995284.db2.gz JAVGKNQBEKRTOW-UHFFFAOYSA-N 0 0 211.265 2.319 10 0 BEAERN C=CC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000037013590 348014944 /nfs/dbraw/zinc/01/49/44/348014944.db2.gz ACTUDKLZJDCIFM-SFYZADRCSA-N 0 0 221.222 2.410 10 0 BEAERN Clc1cncc(Sc2ncccn2)n1 ZINC000037066166 348019012 /nfs/dbraw/zinc/01/90/12/348019012.db2.gz GFFNCGDXABGFCG-UHFFFAOYSA-N 0 0 224.676 2.071 10 0 BEAERN CCN(C)C(=O)c1ccc(Cl)cc1N ZINC000037078062 348019066 /nfs/dbraw/zinc/01/90/66/348019066.db2.gz BNCSGTAYHINWMB-UHFFFAOYSA-N 0 0 212.680 2.014 10 0 BEAERN CCC[C@@]1(c2ccccc2)CCC(=O)NC1=O ZINC000196780476 348025689 /nfs/dbraw/zinc/02/56/89/348025689.db2.gz CXDAXBRLSATHRS-AWEZNQCLSA-N 0 0 231.295 2.161 10 0 BEAERN CS[C@H]1CCC[C@H]1Nc1cnccn1 ZINC000230915995 349981256 /nfs/dbraw/zinc/98/12/56/349981256.db2.gz JPCHPFNTSZGGET-BDAKNGLRSA-N 0 0 209.318 2.173 10 0 BEAERN CC[C@@H]1CCCCC[C@]12O[C@@H]2C(=O)OC ZINC000669382172 537996999 /nfs/dbraw/zinc/99/69/99/537996999.db2.gz BELVBADZAGUGDX-FOGDFJRCSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1ccccc1[C@H](C)Nc1nccn(C)c1=O ZINC000061752080 179340075 /nfs/dbraw/zinc/34/00/75/179340075.db2.gz PDMAJGSATZGKDV-NSHDSACASA-N 0 0 243.310 2.262 10 0 BEAERN C/C=C\C(=O)NCc1cccc2c1CCCN2 ZINC000616570903 348076719 /nfs/dbraw/zinc/07/67/19/348076719.db2.gz HVGXQZGOVOCJFC-DJWKRKHSSA-N 0 0 230.311 2.237 10 0 BEAERN S=C1N=NC(NCC2CCC2)S1 ZINC000037180932 348031927 /nfs/dbraw/zinc/03/19/27/348031927.db2.gz NYCOMGPLROEOTH-UHFFFAOYSA-N 0 0 201.320 2.039 10 0 BEAERN Cc1cccn(Cc2ccc(N)cc2Cl)c1=O ZINC000062985742 179351768 /nfs/dbraw/zinc/35/17/68/179351768.db2.gz GFJWDCQCAMDAGC-UHFFFAOYSA-N 0 0 248.713 2.441 10 0 BEAERN Cc1cccn2c(N)c(-c3ccncc3)nc12 ZINC000036222058 179353843 /nfs/dbraw/zinc/35/38/43/179353843.db2.gz NMFZZSFYJHERFD-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN C[Si](C)(C)CCSC[C@@H]1CNC(=O)O1 ZINC000725245180 537999708 /nfs/dbraw/zinc/99/97/08/537999708.db2.gz FOVPTHDZJMTBDA-QMMMGPOBSA-N 0 0 233.409 2.166 10 0 BEAERN Cc1ccc(N)c(C)c1CNC(=O)C1CCC1 ZINC000616571504 348200012 /nfs/dbraw/zinc/20/00/12/348200012.db2.gz HALAMUAEXALIMC-UHFFFAOYSA-N 0 0 232.327 2.302 10 0 BEAERN Fc1cc2c(-c3ncccn3)c[nH]c2cn1 ZINC000669381864 537998827 /nfs/dbraw/zinc/99/88/27/537998827.db2.gz YJEVHODIPPNKAB-UHFFFAOYSA-N 0 0 214.203 2.159 10 0 BEAERN C[Si](C)(C)CCSCC1OCCO1 ZINC000725245491 538001111 /nfs/dbraw/zinc/00/11/11/538001111.db2.gz JCHOLCGOIDKVHT-UHFFFAOYSA-N 0 0 220.410 2.431 10 0 BEAERN COc1ccc([C@@]23C[C@@H]2C(=O)CC3)cc1 ZINC000225879028 348286897 /nfs/dbraw/zinc/28/68/97/348286897.db2.gz XWNOZBWIFQLBLW-DGCLKSJQSA-N 0 0 202.253 2.316 10 0 BEAERN Cc1cccnc1N[C@@H](C)[C@H]1CCOC1 ZINC000162796931 179395842 /nfs/dbraw/zinc/39/58/42/179395842.db2.gz BURXYRKYFJZURF-QWRGUYRKSA-N 0 0 206.289 2.227 10 0 BEAERN C[C@H](C1CCCC1)[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000251513637 362883728 /nfs/dbraw/zinc/88/37/28/362883728.db2.gz IRLNKZUXTSEVPF-KOLCDFICSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@H]([N@@H+]1CCC[C@]1(C)C(=O)[O-])C1(C)CC1 ZINC000251507050 362883781 /nfs/dbraw/zinc/88/37/81/362883781.db2.gz IDDCFQUBSJCLIF-JOYOIKCWSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccnc1NC(=O)c1cc(N)ccc1F ZINC000035651449 179394034 /nfs/dbraw/zinc/39/40/34/179394034.db2.gz DRLXHUZTRHINDZ-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CO[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037346595 348348474 /nfs/dbraw/zinc/34/84/74/348348474.db2.gz CKLHPKQCFMMNDR-LURJTMIESA-N 0 0 200.184 2.182 10 0 BEAERN Cc1ccn(-c2nc(Br)cs2)n1 ZINC000044116930 179399808 /nfs/dbraw/zinc/39/98/08/179399808.db2.gz XQVXJZZJOUIYTQ-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN COC(=O)[C@H]1O[C@]12CCCCCC2(C)C ZINC000669382093 538003060 /nfs/dbraw/zinc/00/30/60/538003060.db2.gz AFVPRVSBBKKPQL-BXKDBHETSA-N 0 0 212.289 2.287 10 0 BEAERN Nc1cc(Cl)nc(N2CCCCC2)c1 ZINC000153082949 362922409 /nfs/dbraw/zinc/92/24/09/362922409.db2.gz QJNZZBLPEVMPEH-UHFFFAOYSA-N 0 0 211.696 2.308 10 0 BEAERN Cc1ccnc(N[C@@]2(CO)CCC[C@@H](C)C2)n1 ZINC000061859512 179458159 /nfs/dbraw/zinc/45/81/59/179458159.db2.gz VSXYZTSWBOYOLW-MFKMUULPSA-N 0 0 235.331 2.138 10 0 BEAERN Cc1ccc(C)c(C(=O)c2cnsn2)c1 ZINC000159140289 348445653 /nfs/dbraw/zinc/44/56/53/348445653.db2.gz DFUOGFSPAYJFDA-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN Cc1ccnc2c(C(N)=S)cccc12 ZINC000082769422 179470475 /nfs/dbraw/zinc/47/04/75/179470475.db2.gz ANIMFZXUFWMZPF-UHFFFAOYSA-N 0 0 202.282 2.177 10 0 BEAERN CC(=O)c1cnn(CCc2ccccc2)c1 ZINC000054716068 348465854 /nfs/dbraw/zinc/46/58/54/348465854.db2.gz WMECZFGVMGHJCO-UHFFFAOYSA-N 0 0 214.268 2.328 10 0 BEAERN Cc1ccnc(NC(=O)[C@@H](C)C2CCOCC2)c1 ZINC000120036691 179438674 /nfs/dbraw/zinc/43/86/74/179438674.db2.gz KPOWSBMWYOQWSH-NSHDSACASA-N 0 0 248.326 2.391 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12C[C@H]1CCCC[C@@H]12 ZINC000669383061 538006352 /nfs/dbraw/zinc/00/63/52/538006352.db2.gz MGNRVKPYKACDPG-IFFSRLJSSA-N 0 0 230.691 2.074 10 0 BEAERN COCc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725246055 538006539 /nfs/dbraw/zinc/00/65/39/538006539.db2.gz QIFJQCMNWVGPQR-UHFFFAOYSA-N 0 0 237.690 2.407 10 0 BEAERN CCOC(=O)C[C@@H]1C=CC[C@H](C(C)=O)C1 ZINC000584657991 490178835 /nfs/dbraw/zinc/17/88/35/490178835.db2.gz HPXMSQOQTFIAAM-MNOVXSKESA-N 0 0 210.273 2.111 10 0 BEAERN CCOC(=O)C[C@@H]1C=CC[C@@H](C(C)=O)C1 ZINC000584657990 490178899 /nfs/dbraw/zinc/17/88/99/490178899.db2.gz HPXMSQOQTFIAAM-GHMZBOCLSA-N 0 0 210.273 2.111 10 0 BEAERN Cc1ccsc1-c1nnc([C@@H](C)N)o1 ZINC000050284192 179534913 /nfs/dbraw/zinc/53/49/13/179534913.db2.gz NCQWWEIGAALBHE-ZCFIWIBFSA-N 0 0 209.274 2.126 10 0 BEAERN O=C1OC[C@@H]2CCc3ccccc3C=C[C@H]12 ZINC000048522929 348658217 /nfs/dbraw/zinc/65/82/17/348658217.db2.gz OSRNKRFHCGGMKD-STQMWFEESA-N 0 0 214.264 2.435 10 0 BEAERN FC(F)(F)COC(=S)OCC(F)(F)F ZINC000039309985 348643491 /nfs/dbraw/zinc/64/34/91/348643491.db2.gz KLHBTFFZKRVEHH-UHFFFAOYSA-N 0 0 242.140 2.429 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]1(C)C1CCCC1 ZINC000669383696 538010133 /nfs/dbraw/zinc/01/01/33/538010133.db2.gz JQXQNDGBMHVQHF-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000302198569 179623289 /nfs/dbraw/zinc/62/32/89/179623289.db2.gz YHGQGBMBPOOIFT-YUMQZZPRSA-N 0 0 212.318 2.065 10 0 BEAERN Cc1cnc([C@H](C)NCCOCC2CC2)o1 ZINC000336729314 179654653 /nfs/dbraw/zinc/65/46/53/179654653.db2.gz CZZHHXXCOOLLQR-JTQLQIEISA-N 0 0 224.304 2.060 10 0 BEAERN COC(=O)[C@]1(CC(C)C)OC12CCCC2 ZINC000669383661 538010899 /nfs/dbraw/zinc/01/08/99/538010899.db2.gz JPBJFIUTISIPGQ-LBPRGKRZSA-N 0 0 212.289 2.287 10 0 BEAERN COc1cccc([C@@]2(O)CCCSC2)c1 ZINC000084423266 348809158 /nfs/dbraw/zinc/80/91/58/348809158.db2.gz USAOKHPFKSORSC-GFCCVEGCSA-N 0 0 224.325 2.410 10 0 BEAERN COC(=O)CCCCCNC(=O)C1CCCC1 ZINC000035153486 358455168 /nfs/dbraw/zinc/45/51/68/358455168.db2.gz KJVALYDXASVWDO-UHFFFAOYSA-N 0 0 241.331 2.026 10 0 BEAERN COc1cc(N)c(O)c(C(F)(F)F)c1 ZINC000214776946 350000949 /nfs/dbraw/zinc/00/09/49/350000949.db2.gz UZHJOFOGGLXXAE-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CCCC(=O)[C@H](CC(=O)C(C)C)C(=O)OCC ZINC000725247886 538012703 /nfs/dbraw/zinc/01/27/03/538012703.db2.gz CAQWLEVZTZZRGK-JTQLQIEISA-N 0 0 242.315 2.150 10 0 BEAERN CC(C)[C@@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521402149 323201178 /nfs/dbraw/zinc/20/11/78/323201178.db2.gz ZWVLYJIEVFUSJK-BQBZGAKWSA-N 0 0 227.226 2.013 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]1(C)Cc1ccsc1 ZINC000669384436 538014859 /nfs/dbraw/zinc/01/48/59/538014859.db2.gz VZOAIAXPUOJFFQ-NWDGAFQWSA-N 0 0 240.324 2.401 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CC1CCC2CC1 ZINC000669384459 538014882 /nfs/dbraw/zinc/01/48/82/538014882.db2.gz WJNJWPWYAOYFEP-UHGWMABZSA-N 0 0 224.300 2.287 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CC(C)(C)CC[C@H]2C ZINC000669384522 538016986 /nfs/dbraw/zinc/01/69/86/538016986.db2.gz XLRCGTLCJIOKNN-VDDIYKPWSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1c(N)ccc(=O)n1C1CCCCC1 ZINC000725248904 538017814 /nfs/dbraw/zinc/01/78/14/538017814.db2.gz VXXZDVBPRIWNMT-UHFFFAOYSA-N 0 0 206.289 2.244 10 0 BEAERN CC[C@@H](C)[C@@H](C)n1cc(N)c(C)cc1=O ZINC000725249277 538019213 /nfs/dbraw/zinc/01/92/13/538019213.db2.gz XHWATRNTHYTCPM-PSASIEDQSA-N 0 0 208.305 2.346 10 0 BEAERN C[C@@H]1CCCC[C@@H]1n1ccc(=O)c(N)c1 ZINC000725249267 538020037 /nfs/dbraw/zinc/02/00/37/538020037.db2.gz UDSZVWQJTCNVGM-KOLCDFICSA-N 0 0 206.289 2.182 10 0 BEAERN Oc1ccc(Sc2ncnc3[nH]cnc32)cc1 ZINC000038079233 187426701 /nfs/dbraw/zinc/42/67/01/187426701.db2.gz HOIXXHXWTKFCCF-UHFFFAOYSA-N 0 0 244.279 2.210 10 0 BEAERN CC1CC(Cn2cc(Br)c(N)n2)C1 ZINC000725250049 538022675 /nfs/dbraw/zinc/02/26/75/538022675.db2.gz VVHRJCFSWCJRKQ-UHFFFAOYSA-N 0 0 244.136 2.274 10 0 BEAERN C/C=C(/C)C(=O)NCc1c(C)ccc(N)c1C ZINC000616573513 349071620 /nfs/dbraw/zinc/07/16/20/349071620.db2.gz SNAHZLSAANRWNF-UITAMQMPSA-N 0 0 232.327 2.468 10 0 BEAERN CC[C@H]([NH3+])c1nc(C)cc(C(F)F)n1 ZINC000616577157 349107590 /nfs/dbraw/zinc/10/75/90/349107590.db2.gz IYLXDNOATGMHFI-LURJTMIESA-N 0 0 201.220 2.132 10 0 BEAERN CCOc1c(CO)cccc1OC(F)(F)F ZINC000616577150 349107849 /nfs/dbraw/zinc/10/78/49/349107849.db2.gz VSNOIPRUMVIRNR-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN CCOc1cc(OC(F)(F)F)cc(C(N)=O)c1 ZINC000616575940 349094495 /nfs/dbraw/zinc/09/44/95/349094495.db2.gz KFCFJXXKPOFAJH-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1ccc(C(N)=O)c(OC(F)(F)F)c1 ZINC000616575948 349094706 /nfs/dbraw/zinc/09/47/06/349094706.db2.gz KGRDNKZUXPPNJU-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CC1(C)CCC(=O)N1c1cccc(N)c1 ZINC000616575453 349095319 /nfs/dbraw/zinc/09/53/19/349095319.db2.gz CVKYPOLEFNFYBD-UHFFFAOYSA-N 0 0 204.273 2.174 10 0 BEAERN COC(=O)c1cccc(OC(F)(F)F)c1C=O ZINC000616577147 349108052 /nfs/dbraw/zinc/10/80/52/349108052.db2.gz VODVZKZORVUSAP-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN CC(=O)c1cc(O)cc(OC(F)(F)F)c1 ZINC000616576809 349103450 /nfs/dbraw/zinc/10/34/50/349103450.db2.gz QZAHUOXDVSPFNX-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN CSC1=NCCCN1C(=O)c1ccccc1 ZINC000247531820 349118178 /nfs/dbraw/zinc/11/81/78/349118178.db2.gz PACCGKUBGKCKQC-UHFFFAOYSA-N 0 0 234.324 2.252 10 0 BEAERN O=Cc1ccc(OC(F)(F)F)c(C=O)c1 ZINC000616578898 349127017 /nfs/dbraw/zinc/12/70/17/349127017.db2.gz FCRBKJJWYGQNOP-UHFFFAOYSA-N 0 0 218.130 2.210 10 0 BEAERN Cc1cnn(CCCOc2cccc(C=O)c2)c1 ZINC000616580012 349228785 /nfs/dbraw/zinc/22/87/85/349228785.db2.gz SQPUBXPNCKLWKY-UHFFFAOYSA-N 0 0 244.294 2.473 10 0 BEAERN CCCc1ccc(Br)nn1 ZINC000044118085 187433577 /nfs/dbraw/zinc/43/35/77/187433577.db2.gz BXXAJFFKHNFQEQ-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN O=Cc1cccc(C=O)c1OC(F)(F)F ZINC000616579761 349199089 /nfs/dbraw/zinc/19/90/89/349199089.db2.gz OPBTTYDKKHFHDZ-UHFFFAOYSA-N 0 0 218.130 2.210 10 0 BEAERN CC(C)(C)c1nc(-n2cc(C=O)cn2)cs1 ZINC000725253324 538037613 /nfs/dbraw/zinc/03/76/13/538037613.db2.gz FIZUGRBUKBCIET-UHFFFAOYSA-N 0 0 235.312 2.439 10 0 BEAERN CC[C@H](Nc1ccnc(N(C)C)n1)C(C)C ZINC000082924291 349250912 /nfs/dbraw/zinc/25/09/12/349250912.db2.gz UNIXKXGAYRDWNE-JTQLQIEISA-N 0 0 222.336 2.389 10 0 BEAERN Cc1n[nH]c(C)c1NCc1cccnc1 ZINC000036736145 179828837 /nfs/dbraw/zinc/82/88/37/179828837.db2.gz RGUYYERJHRFWFO-UHFFFAOYSA-N 0 0 202.261 2.034 10 0 BEAERN Cc1n[nH]c(C)c1NCc1ccc(O)cc1 ZINC000036736220 179828871 /nfs/dbraw/zinc/82/88/71/179828871.db2.gz CEBIFNOMJWBENS-UHFFFAOYSA-N 0 0 217.272 2.344 10 0 BEAERN CCc1cccc(OC(F)(F)F)c1C(N)=O ZINC000616580272 349256083 /nfs/dbraw/zinc/25/60/83/349256083.db2.gz WPAKCJBBTFWUPP-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN CCc1cc(OC(F)(F)F)ccc1C(N)=O ZINC000616580309 349256844 /nfs/dbraw/zinc/25/68/44/349256844.db2.gz XSVWFRKCLIJUHK-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN Cc1nnc2c1cc1c(C)[nH][nH]c1c2C ZINC000000003931 179839167 /nfs/dbraw/zinc/83/91/67/179839167.db2.gz AIWFKMLZLPPKGA-UHFFFAOYSA-N 0 0 200.245 2.364 10 0 BEAERN CC(=O)N[C@@H]1CCN(C(C)C)c2ccccc21 ZINC000616584515 349344207 /nfs/dbraw/zinc/34/42/07/349344207.db2.gz BACBHDZAHHOLIQ-CYBMUJFWSA-N 0 0 232.327 2.482 10 0 BEAERN Cc1nc(-c2cccs2)ncc1C=O ZINC000071508887 179868406 /nfs/dbraw/zinc/86/84/06/179868406.db2.gz CONVUCNQOJRIJG-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CC(=O)N1CC[C@@H](n2cccn2)c2ccccc21 ZINC000616585496 349368010 /nfs/dbraw/zinc/36/80/10/349368010.db2.gz GBHLKJXQLKUODH-CQSZACIVSA-N 0 0 241.294 2.229 10 0 BEAERN Cc1nc(C)n(-c2ccc(N)cc2Cl)n1 ZINC000044376625 179921699 /nfs/dbraw/zinc/92/16/99/179921699.db2.gz RDTNZQFQMUXXDE-UHFFFAOYSA-N 0 0 222.679 2.120 10 0 BEAERN O=C([O-])[C@@H]1CC[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C1 ZINC000725254245 538044156 /nfs/dbraw/zinc/04/41/56/538044156.db2.gz YPYWCWPJUGJLMB-RDBSUJKOSA-N 0 0 245.322 2.339 10 0 BEAERN CCOc1ccncc1I ZINC000306535810 538044273 /nfs/dbraw/zinc/04/42/73/538044273.db2.gz GQIWGHXURCZXFQ-UHFFFAOYSA-N 0 0 249.051 2.085 10 0 BEAERN COC(C)(C)CNc1cc(C)nc(Cl)n1 ZINC000159313615 350007926 /nfs/dbraw/zinc/00/79/26/350007926.db2.gz FTIFYHYZSCGCGV-UHFFFAOYSA-N 0 0 229.711 2.275 10 0 BEAERN CNN=C(C)c1cc([N+](=O)[O-])ccc1Cl ZINC000257352220 349410132 /nfs/dbraw/zinc/41/01/32/349410132.db2.gz JVXRWEKGPXHFAP-UHFFFAOYSA-N 0 0 227.651 2.192 10 0 BEAERN CC(C)(C)[C@@H]1C[C@H]2C[C@H](C(=O)[O-])CC[N@@H+]2C1 ZINC000725254184 538043657 /nfs/dbraw/zinc/04/36/57/538043657.db2.gz RGQCBUKICDKOIP-GMTAPVOTSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)N1c2ccccc2NC[C@@H]1CCO ZINC000616586853 349414749 /nfs/dbraw/zinc/41/47/49/349414749.db2.gz ZTFGIGWOPUWGEV-NSHDSACASA-N 0 0 220.316 2.078 10 0 BEAERN CC(C)(C)[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])CC[N@@H+]2C1 ZINC000725254183 538044009 /nfs/dbraw/zinc/04/40/09/538044009.db2.gz RGQCBUKICDKOIP-AXFHLTTASA-N 0 0 225.332 2.218 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCC1(C)C ZINC000131412048 191012261 /nfs/dbraw/zinc/01/22/61/191012261.db2.gz KOLJKZHPCFCAIF-GARJFASQSA-N 0 0 240.347 2.042 10 0 BEAERN COC(=O)c1c(N)cc(C(F)(F)F)cc1OC ZINC000217631005 350065894 /nfs/dbraw/zinc/06/58/94/350065894.db2.gz WHVKKGGDTAGSID-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1nc2nc(C(C)C)ncc2c(=S)[nH]1 ZINC000068575335 180029341 /nfs/dbraw/zinc/02/93/41/180029341.db2.gz LKIIXSMVBQIHKN-UHFFFAOYSA-N 0 0 220.301 2.140 10 0 BEAERN Cc1nc(N)sc1SC[C@@H]1CCCO1 ZINC000019486322 180000771 /nfs/dbraw/zinc/00/07/71/180000771.db2.gz VMGRABHFNPUQTA-ZETCQYMHSA-N 0 0 230.358 2.305 10 0 BEAERN Cc1nc2[nH]ccc2c(NCC(C)C)n1 ZINC000027902001 180016408 /nfs/dbraw/zinc/01/64/08/180016408.db2.gz GTFHIIMPMNFZTH-UHFFFAOYSA-N 0 0 204.277 2.334 10 0 BEAERN Cc1sc2nc(C)nc(NCCO)c2c1C ZINC000020323615 180017576 /nfs/dbraw/zinc/01/75/76/180017576.db2.gz FKTAVSAKVQFZHQ-UHFFFAOYSA-N 0 0 237.328 2.021 10 0 BEAERN Cc1nc(NC[C@H](C)O)nc(C)c1CC(C)C ZINC000120196298 180018481 /nfs/dbraw/zinc/01/84/81/180018481.db2.gz IAZRQGHOHPEKOT-VIFPVBQESA-N 0 0 237.347 2.085 10 0 BEAERN N/N=C/c1c[nH]c2ccc(Br)cc12 ZINC000007276399 350091730 /nfs/dbraw/zinc/09/17/30/350091730.db2.gz RENPDUBROKCMCT-WLRTZDKTSA-N 0 0 238.088 2.223 10 0 BEAERN COC(=O)c1ccc(CSC)cc1OC ZINC000144313751 350094106 /nfs/dbraw/zinc/09/41/06/350094106.db2.gz FJUZTAOHRAOBNV-UHFFFAOYSA-N 0 0 226.297 2.345 10 0 BEAERN Cc1nc(N[C@H](C)[C@@H](C)CO)sc1C ZINC000122083884 180023880 /nfs/dbraw/zinc/02/38/80/180023880.db2.gz DGVMKXUCNVVHJM-NKWVEPMBSA-N 0 0 214.334 2.189 10 0 BEAERN Cc1nc([C@@H](C)Nc2ccn(C)n2)cs1 ZINC000037471937 180038428 /nfs/dbraw/zinc/03/84/28/180038428.db2.gz FTQWASCWVALWLL-SSDOTTSWSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nc2c(Cl)cccn2c1[C@H](C)O ZINC000082695481 180063380 /nfs/dbraw/zinc/06/33/80/180063380.db2.gz XPLSAQSDOTVHIS-ZETCQYMHSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nc2c(C(F)(F)F)cccn2c1N ZINC000082695910 180064728 /nfs/dbraw/zinc/06/47/28/180064728.db2.gz QXCIRUWDXOAFJU-UHFFFAOYSA-N 0 0 215.178 2.244 10 0 BEAERN Cc1nc2cc(Br)ccn2c1C=O ZINC000213054082 180075383 /nfs/dbraw/zinc/07/53/83/180075383.db2.gz WMKOOXFIBRIDQR-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN Cc1nc2cc(Cl)ccn2c1[C@H](C)O ZINC000074376630 180080429 /nfs/dbraw/zinc/08/04/29/180080429.db2.gz CYTAMXKJSFNDRL-ZETCQYMHSA-N 0 0 210.664 2.349 10 0 BEAERN Cc1nc2cc(NC(=O)C3CC3)ccc2o1 ZINC000027012988 180081658 /nfs/dbraw/zinc/08/16/58/180081658.db2.gz CDPSBNTZCUFTMB-UHFFFAOYSA-N 0 0 216.240 2.485 10 0 BEAERN C[C@@H](c1cccc2ccccc21)S(N)(=O)=O ZINC000050350176 538056266 /nfs/dbraw/zinc/05/62/66/538056266.db2.gz DPCJLGDXDZHRBB-VIFPVBQESA-N 0 0 235.308 2.189 10 0 BEAERN Cc1nc2ccc(Cl)cn2c1[C@H](C)O ZINC000031920170 180090059 /nfs/dbraw/zinc/09/00/59/180090059.db2.gz QRTNAVFLXQAHDU-ZETCQYMHSA-N 0 0 210.664 2.349 10 0 BEAERN Clc1cnc2cnc(Cl)nc2c1 ZINC000219769814 350139567 /nfs/dbraw/zinc/13/95/67/350139567.db2.gz BEBLWEIRQBXYAB-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN Cc1nc2c(c(N[C@H]3C[C@@H]3C)n1)CCCC2 ZINC000302041194 180070393 /nfs/dbraw/zinc/07/03/93/180070393.db2.gz IBEHOXVJPUNQPF-UFBFGSQYSA-N 0 0 217.316 2.484 10 0 BEAERN Cc1nn(C)c2nc(C)c(Br)cc12 ZINC000082327985 180070697 /nfs/dbraw/zinc/07/06/97/180070697.db2.gz YCXPCVKSMFLQKR-UHFFFAOYSA-N 0 0 240.104 2.348 10 0 BEAERN CCCCC(=O)N1CCc2c1cccc2N ZINC000070614442 168615647 /nfs/dbraw/zinc/61/56/47/168615647.db2.gz SZDQJCXOVXOLFH-UHFFFAOYSA-N 0 0 218.300 2.348 10 0 BEAERN Cn1nccc1-c1cc(N)c2ccccc2n1 ZINC000725257009 538058969 /nfs/dbraw/zinc/05/89/69/538058969.db2.gz FBUJTBWTWCTYEV-UHFFFAOYSA-N 0 0 224.267 2.218 10 0 BEAERN Cc1nc2ccccc2n1C(=O)C1CC1 ZINC000005635029 180101739 /nfs/dbraw/zinc/10/17/39/180101739.db2.gz PENMWCRZCHBWMP-UHFFFAOYSA-N 0 0 200.241 2.395 10 0 BEAERN Cc1nccn1-c1nc2ccccc2nc1C ZINC000104296948 180104622 /nfs/dbraw/zinc/10/46/22/180104622.db2.gz MQHFLKCHWPSBBW-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN CNc1nc(OCc2ccccc2)ccc1N ZINC000034416581 350170216 /nfs/dbraw/zinc/17/02/16/350170216.db2.gz PJZZDIMHLYYHOY-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN Cc1nc2sc(CC(C)C)nn2c1C=O ZINC000031974448 180117139 /nfs/dbraw/zinc/11/71/39/180117139.db2.gz HCGULKPSPUOAAI-UHFFFAOYSA-N 0 0 223.301 2.110 10 0 BEAERN COc1cc(C)nc2c(OC)cc(C=O)cc12 ZINC000034320063 350169118 /nfs/dbraw/zinc/16/91/18/350169118.db2.gz CPYWXVAOJHFLMX-UHFFFAOYSA-N 0 0 231.251 2.373 10 0 BEAERN CC(=O)Nc1ncc(Cl)c(C)c1F ZINC000098179251 191061859 /nfs/dbraw/zinc/06/18/59/191061859.db2.gz VYMOSUOTXKEAPP-UHFFFAOYSA-N 0 0 202.616 2.141 10 0 BEAERN Cc1ncc(N)cc1C(=O)N(C)C1CCCCC1 ZINC000038094836 180163680 /nfs/dbraw/zinc/16/36/80/180163680.db2.gz MSNAZGREXMBVAC-UHFFFAOYSA-N 0 0 247.342 2.377 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1CCCC[C@H](CO)C1 ZINC000363787983 191066839 /nfs/dbraw/zinc/06/68/39/191066839.db2.gz KKCPYIYUFHMHPZ-STQMWFEESA-N 0 0 241.375 2.290 10 0 BEAERN Cc1ncc(NC(=O)N[C@H]2C[C@@H]2C)c(C2CC2)n1 ZINC000333407098 180168145 /nfs/dbraw/zinc/16/81/45/180168145.db2.gz FWDSDZXBJJSGDG-XVKPBYJWSA-N 0 0 246.314 2.192 10 0 BEAERN Cc1nc(CNCc2ccc(F)c(F)c2)c[nH]1 ZINC000054822507 180152008 /nfs/dbraw/zinc/15/20/08/180152008.db2.gz BMGVRLRBSHIREJ-UHFFFAOYSA-N 0 0 237.253 2.286 10 0 BEAERN Cc1cnc(CCN(C)C(=O)[C@H]2C[C@@H]2C)s1 ZINC000124623147 490383413 /nfs/dbraw/zinc/38/34/13/490383413.db2.gz PJZCETQAGJCAFA-WPRPVWTQSA-N 0 0 238.356 2.108 10 0 BEAERN Cc1ncc2cc(Br)oc2n1 ZINC000082372160 180178156 /nfs/dbraw/zinc/17/81/56/180178156.db2.gz GZJTUYUJJYLIEV-UHFFFAOYSA-N 0 0 213.034 2.294 10 0 BEAERN Cc1nccc(CNCc2cc(F)ccc2F)n1 ZINC000037997881 180188912 /nfs/dbraw/zinc/18/89/12/180188912.db2.gz CZLXVJNKOOCASP-UHFFFAOYSA-N 0 0 249.264 2.353 10 0 BEAERN Cc1ncccc1C(=O)N[C@H](C)C(C)C ZINC000108151327 180213107 /nfs/dbraw/zinc/21/31/07/180213107.db2.gz ZXDHPJVFESNPLO-SECBINFHSA-N 0 0 206.289 2.164 10 0 BEAERN Clc1nccc(Sc2nncs2)n1 ZINC000051850514 350228082 /nfs/dbraw/zinc/22/80/82/350228082.db2.gz WOTZPVVXWDKURQ-UHFFFAOYSA-N 0 0 230.705 2.133 10 0 BEAERN Cc1ncccc1NC1CCC2(CC1)OCCO2 ZINC000091495538 180225638 /nfs/dbraw/zinc/22/56/38/180225638.db2.gz DXDFWFMIVFNWRM-UHFFFAOYSA-N 0 0 248.326 2.488 10 0 BEAERN Cc1ncccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000165320870 180227833 /nfs/dbraw/zinc/22/78/33/180227833.db2.gz FCQFRXWNMRZLSC-PWSUYJOCSA-N 0 0 231.343 2.427 10 0 BEAERN Cc1nccn1-c1c(N)ccc(F)c1F ZINC000053167884 180229335 /nfs/dbraw/zinc/22/93/35/180229335.db2.gz HDLQITOCZRDKFX-UHFFFAOYSA-N 0 0 209.199 2.041 10 0 BEAERN Cc1ccccc1[C@@H]1Cc2n[nH]cc2[C@H](O)C1 ZINC000072415154 187442274 /nfs/dbraw/zinc/44/22/74/187442274.db2.gz DRYIPCHIMGFYMB-QMTHXVAHSA-N 0 0 228.295 2.482 10 0 BEAERN CCOC(=O)/C=C\c1cc(F)ccc1O ZINC000034130975 350257081 /nfs/dbraw/zinc/25/70/81/350257081.db2.gz WPJUITWUKANQHJ-UTCJRWHESA-N 0 0 210.204 2.108 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccn(C2CCCC2)n1 ZINC000152023986 538084062 /nfs/dbraw/zinc/08/40/62/538084062.db2.gz SQPFVSHZHLYYHZ-CABZTGNLSA-N 0 0 233.315 2.136 10 0 BEAERN CCC1CCC(C(C)(C)S(N)(=O)=O)CC1 ZINC000725261260 538085516 /nfs/dbraw/zinc/08/55/16/538085516.db2.gz AAFDKVYOCZDFSC-UHFFFAOYSA-N 0 0 233.377 2.270 10 0 BEAERN O=C(CSCCCO)c1ccc(F)cc1 ZINC000085163993 538086562 /nfs/dbraw/zinc/08/65/62/538086562.db2.gz JSYJIACDNNNDDT-UHFFFAOYSA-N 0 0 228.288 2.124 10 0 BEAERN Cc1nccn1CCNc1ccc(N(C)C)cc1 ZINC000049330162 180261500 /nfs/dbraw/zinc/26/15/00/180261500.db2.gz RUFCVPAUGPMXOX-UHFFFAOYSA-N 0 0 244.342 2.370 10 0 BEAERN Cc1nccn1CCOc1ccc([C@H](C)O)cc1 ZINC000049330908 180262364 /nfs/dbraw/zinc/26/23/64/180262364.db2.gz RIWZQDMFXRPKJQ-NSHDSACASA-N 0 0 246.310 2.324 10 0 BEAERN OCc1cc(Cl)nc2c1CC1(CC1)CC2 ZINC000725260305 538082181 /nfs/dbraw/zinc/08/21/81/538082181.db2.gz PLVYLHHYRFYCPE-UHFFFAOYSA-N 0 0 223.703 2.496 10 0 BEAERN Cc1nccn1C[C@H](O)c1cc(F)ccc1F ZINC000122298297 180268847 /nfs/dbraw/zinc/26/88/47/180268847.db2.gz MEJQJFKZQXBYJI-LBPRGKRZSA-N 0 0 238.237 2.203 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccn(C2CCCC2)n1 ZINC000152023892 538083791 /nfs/dbraw/zinc/08/37/91/538083791.db2.gz SQPFVSHZHLYYHZ-SKDRFNHKSA-N 0 0 233.315 2.136 10 0 BEAERN Cc1nccn2c(Br)ccc12 ZINC000082373780 180272159 /nfs/dbraw/zinc/27/21/59/180272159.db2.gz YPJPSIFNMGTLHR-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN Cc1ncn2nc(-c3ccccc3)cc2n1 ZINC000026566453 180289260 /nfs/dbraw/zinc/28/92/60/180289260.db2.gz OLBYJEHDJSKKBV-UHFFFAOYSA-N 0 0 210.240 2.100 10 0 BEAERN Cc1cccc(-n2cc(Br)cn2)n1 ZINC000038074958 350305144 /nfs/dbraw/zinc/30/51/44/350305144.db2.gz ZJLJAPLLIXUDQP-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Clc1nsnc1Oc1cccnc1 ZINC000038082358 350305569 /nfs/dbraw/zinc/30/55/69/350305569.db2.gz FOTRDVABAYBCCK-UHFFFAOYSA-N 0 0 213.649 2.379 10 0 BEAERN O=C(NC[C@@H]1CCCc2ccccc2N1)C1CC1 ZINC000725262983 538089648 /nfs/dbraw/zinc/08/96/48/538089648.db2.gz ZLRGTMBSRQQVEX-ZDUSSCGKSA-N 0 0 244.338 2.330 10 0 BEAERN Cc1ncn(CCc2ccccc2N)c1C ZINC000052918867 180286758 /nfs/dbraw/zinc/28/67/58/180286758.db2.gz WWJWFVDJRODQTJ-UHFFFAOYSA-N 0 0 215.300 2.325 10 0 BEAERN Cc1ncsc1CN(C)C(=O)N[C@H]1C[C@@H]1C ZINC000171760879 180314515 /nfs/dbraw/zinc/31/45/15/180314515.db2.gz HRULCJCWEWOQFN-CBAPKCEASA-N 0 0 239.344 2.001 10 0 BEAERN CCCNC(=O)NC(C)(C)c1ccc(N)cc1 ZINC000725264068 538090600 /nfs/dbraw/zinc/09/06/00/538090600.db2.gz BKIGAWCVMFEBTA-UHFFFAOYSA-N 0 0 235.331 2.213 10 0 BEAERN O=C(c1ccc2[nH]cnc2c1)N1C[C@H]2CCC[C@@H]21 ZINC000606535729 350357990 /nfs/dbraw/zinc/35/79/90/350357990.db2.gz XPZZLYJSFYFFST-MFKMUULPSA-N 0 0 241.294 2.187 10 0 BEAERN Cc1ncsc1CCN1[C@H](C)COC[C@H]1C ZINC000172668950 180309177 /nfs/dbraw/zinc/30/91/77/180309177.db2.gz SGMMAMQGWCSAGP-NXEZZACHSA-N 0 0 240.372 2.103 10 0 BEAERN COC(C)(C)C(=O)Nc1ccnc(Cl)c1 ZINC000230996734 350374926 /nfs/dbraw/zinc/37/49/26/350374926.db2.gz LQTPSFJIBFBHRS-UHFFFAOYSA-N 0 0 228.679 2.099 10 0 BEAERN Cc1nn(C(C)(C)C)c(Cl)c1C=O ZINC000036905295 180332700 /nfs/dbraw/zinc/33/27/00/180332700.db2.gz RFINUCQYCFBQOH-UHFFFAOYSA-N 0 0 200.669 2.412 10 0 BEAERN CCc1cc(NCC[C@@H]2CCCO2)ncn1 ZINC000040765222 350395315 /nfs/dbraw/zinc/39/53/15/350395315.db2.gz HECILJQVLPUGLQ-NSHDSACASA-N 0 0 221.304 2.020 10 0 BEAERN Cc1nn(C)c(Nc2cc(F)ccc2F)c1N ZINC000036749154 180360045 /nfs/dbraw/zinc/36/00/45/180360045.db2.gz BCERMWDIIDOUPI-UHFFFAOYSA-N 0 0 238.241 2.333 10 0 BEAERN Cc1nn(C)c(C)c1NCc1cscn1 ZINC000040504084 180343081 /nfs/dbraw/zinc/34/30/81/180343081.db2.gz YVJIGHQQJDVBET-UHFFFAOYSA-N 0 0 222.317 2.106 10 0 BEAERN Cc1nn(C)c(C)c1NCc1ccncc1 ZINC000020134728 180343309 /nfs/dbraw/zinc/34/33/09/180343309.db2.gz VOXYFTHBYSPYMV-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN Cc1ccc(CCC(=O)Nc2cn[nH]c2)cc1 ZINC000035237827 358456539 /nfs/dbraw/zinc/45/65/39/358456539.db2.gz OPHZTTGUNAVLBP-UHFFFAOYSA-N 0 0 229.283 2.289 10 0 BEAERN CCCc1c(N)n(C(C)C)nc1C(=O)OCC ZINC000725265334 538091917 /nfs/dbraw/zinc/09/19/17/538091917.db2.gz CVIWYGYBFHQPNG-UHFFFAOYSA-N 0 0 239.319 2.175 10 0 BEAERN Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)C(C)C ZINC000120472117 180349695 /nfs/dbraw/zinc/34/96/95/180349695.db2.gz UQQLUBOMQIGKJS-SSDOTTSWSA-N 0 0 243.738 2.156 10 0 BEAERN Cc1nn(C)c(Cl)c1[C@H](O)C(C)(C)C ZINC000000159506 180350834 /nfs/dbraw/zinc/35/08/34/180350834.db2.gz XRIVZVDONZHQSW-QMMMGPOBSA-N 0 0 216.712 2.461 10 0 BEAERN Cc1nn(C)c(N(C)Cc2cccs2)c1C=O ZINC000035717816 180353859 /nfs/dbraw/zinc/35/38/59/180353859.db2.gz HIGLLPQEARHATH-UHFFFAOYSA-N 0 0 249.339 2.239 10 0 BEAERN Cc1nn(C)c(NC2CCCCCC2)c1N ZINC000036749259 180358731 /nfs/dbraw/zinc/35/87/31/180358731.db2.gz WYGCMSMZPIPEBH-UHFFFAOYSA-N 0 0 222.336 2.445 10 0 BEAERN C[C@H]1CC[N@@H+]1[C@@H](C(=O)[O-])C1CCCCC1 ZINC000226286187 350413481 /nfs/dbraw/zinc/41/34/81/350413481.db2.gz PBOWTWVZENQJKH-GXSJLCMTSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1nn(C)c(NC2CCC(C)CC2)c1N ZINC000036749095 180359074 /nfs/dbraw/zinc/35/90/74/180359074.db2.gz ZZOIGFQABZDMEU-UHFFFAOYSA-N 0 0 222.336 2.301 10 0 BEAERN Cc1nn(C)c(N[C@H]2CCCC[C@@H]2C)c1N ZINC000036749075 180359549 /nfs/dbraw/zinc/35/95/49/180359549.db2.gz YVEIZPDZVZZMSV-WPRPVWTQSA-N 0 0 222.336 2.301 10 0 BEAERN CCCOC(=O)C(F)(F)C(F)(F)F ZINC000032164222 350416050 /nfs/dbraw/zinc/41/60/50/350416050.db2.gz NZZLJQBPSUUZOQ-UHFFFAOYSA-N 0 0 206.110 2.137 10 0 BEAERN C=CS(=O)(=O)CCOCc1ccc(C)cc1 ZINC000033364589 350444261 /nfs/dbraw/zinc/44/42/61/350444261.db2.gz WNAADOGPECBBFD-UHFFFAOYSA-N 0 0 240.324 2.070 10 0 BEAERN Cc1nn(C)c(O[C@H]2CCC[C@@H](C)C2)c1N ZINC000036749587 180361614 /nfs/dbraw/zinc/36/16/14/180361614.db2.gz HUEJBKAOUMXAAZ-SCZZXKLOSA-N 0 0 223.320 2.268 10 0 BEAERN Cc1nn(C)c(Oc2cccc(F)c2)c1N ZINC000036749497 180361881 /nfs/dbraw/zinc/36/18/81/180361881.db2.gz BYHDELKKHIZWHJ-UHFFFAOYSA-N 0 0 221.235 2.242 10 0 BEAERN Cc1nn(C)cc1-c1nn(CC(C)C)cc1C=O ZINC000037735028 180365316 /nfs/dbraw/zinc/36/53/16/180365316.db2.gz OWCCJLCQSYTVSC-UHFFFAOYSA-N 0 0 246.314 2.061 10 0 BEAERN Nc1cc(F)cc2[nH]nc(Br)c21 ZINC000014983898 350442264 /nfs/dbraw/zinc/44/22/64/350442264.db2.gz ZSALIFHUCHPPDO-UHFFFAOYSA-N 0 0 230.040 2.047 10 0 BEAERN CCOC(=O)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000034606819 350471910 /nfs/dbraw/zinc/47/19/10/350471910.db2.gz UGAAYCHCCALRHV-VMPITWQZSA-N 0 0 238.670 2.485 10 0 BEAERN Cc1nn(C)cc1NCc1ccc2c(c1)OCO2 ZINC000020350359 180377346 /nfs/dbraw/zinc/37/73/46/180377346.db2.gz AEJJIHGUUCRXLR-UHFFFAOYSA-N 0 0 245.282 2.069 10 0 BEAERN O=C([O-])C1CCC([NH+]2CCC(F)CC2)CC1 ZINC000409423910 350475966 /nfs/dbraw/zinc/47/59/66/350475966.db2.gz RGRQQMNUTNSPDS-UHFFFAOYSA-N 0 0 229.295 2.064 10 0 BEAERN O=Cc1ccc(C=O)c(Br)c1 ZINC000001621439 350501280 /nfs/dbraw/zinc/50/12/80/350501280.db2.gz YVNJOTVKIMMVLW-UHFFFAOYSA-N 0 0 213.030 2.074 10 0 BEAERN Cc1nn(CCOCCC(C)C)c(C)c1CO ZINC000049267817 180388908 /nfs/dbraw/zinc/38/89/08/180388908.db2.gz QEKMBGRFPNMWLN-UHFFFAOYSA-N 0 0 240.347 2.055 10 0 BEAERN C[C@H](c1ccncc1)N1CCC(=O)[C@@H](C)C1 ZINC000219738108 490577770 /nfs/dbraw/zinc/57/77/70/490577770.db2.gz SOUQNDSSMUNRBD-WDEREUQCSA-N 0 0 218.300 2.054 10 0 BEAERN CC(C)[C@H](C)NC(=O)Nc1cccc(F)n1 ZINC000134221911 191108081 /nfs/dbraw/zinc/10/80/81/191108081.db2.gz URLIVIMPSWDMMZ-QMMMGPOBSA-N 0 0 225.267 2.387 10 0 BEAERN O=C(CSCCO)c1cccc(Cl)c1 ZINC000037352806 362966833 /nfs/dbraw/zinc/96/68/33/362966833.db2.gz CDXXHAVWCUJYSQ-UHFFFAOYSA-N 0 0 230.716 2.248 10 0 BEAERN Cc1nnc(N[C@H](C)c2nnc(C)s2)s1 ZINC000273492138 180437239 /nfs/dbraw/zinc/43/72/39/180437239.db2.gz MRLNDHPCIQJNPP-SCSAIBSYSA-N 0 0 241.345 2.180 10 0 BEAERN Cc1nnc(N[C@H](C)c2cccc(O)c2)o1 ZINC000276253924 180437513 /nfs/dbraw/zinc/43/75/13/180437513.db2.gz MDVYJNPQODEAJR-SSDOTTSWSA-N 0 0 219.244 2.257 10 0 BEAERN CC(C)CCc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266491 538096123 /nfs/dbraw/zinc/09/61/23/538096123.db2.gz DNLJXEOOZDAFKJ-UHFFFAOYSA-N 0 0 239.319 2.349 10 0 BEAERN CC(=O)c1ccc(Br)nc1F ZINC000095762226 187456062 /nfs/dbraw/zinc/45/60/62/187456062.db2.gz BLDBYRIGOLOWEE-UHFFFAOYSA-N 0 0 218.025 2.186 10 0 BEAERN Cc1c(N)cccc1N[C@@H]1CCSC1 ZINC000231344975 350618120 /nfs/dbraw/zinc/61/81/20/350618120.db2.gz LJOGLNIITVEQST-SECBINFHSA-N 0 0 208.330 2.495 10 0 BEAERN CNCc1noc([C@@H]2CCCc3ccccc32)n1 ZINC000054669682 1172132425 /nfs/dbraw/zinc/13/24/25/1172132425.db2.gz OKNIAZYCEASEKX-GFCCVEGCSA-N 0 0 243.310 2.257 10 0 BEAERN C/N=c1/scc(-c2ccccc2)n1C ZINC000101922586 187459486 /nfs/dbraw/zinc/45/94/86/187459486.db2.gz LWDHTVXEUMSTHI-VAWYXSNFSA-N 0 0 204.298 2.284 10 0 BEAERN CS[C@H](C)CC(=O)N[C@@H](C)C(C)C ZINC000156675066 191116409 /nfs/dbraw/zinc/11/64/09/191116409.db2.gz GHJVFALBDXZLLK-BDAKNGLRSA-N 0 0 203.351 2.289 10 0 BEAERN CCCC[S@](=O)c1c(F)cc(N)cc1F ZINC000042198680 187460052 /nfs/dbraw/zinc/46/00/52/187460052.db2.gz MKLYMZNEHDLCLM-OAHLLOKOSA-N 0 0 233.283 2.455 10 0 BEAERN O=Cc1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000096304903 350672440 /nfs/dbraw/zinc/67/24/40/350672440.db2.gz UYLUGCQAIWKVHI-UHFFFAOYSA-N 0 0 239.580 2.489 10 0 BEAERN CC1(C)CCCN1C(=O)c1cccc(F)n1 ZINC000122989578 350657099 /nfs/dbraw/zinc/65/70/99/350657099.db2.gz ZADDHMAKVHPOIZ-UHFFFAOYSA-N 0 0 222.263 2.235 10 0 BEAERN CCOC(=O)N1CCOCC[C@@H]1C(C)(C)C ZINC000616598168 350657386 /nfs/dbraw/zinc/65/73/86/350657386.db2.gz HRDBFVPNMNOJNP-SNVBAGLBSA-N 0 0 229.320 2.280 10 0 BEAERN Nc1ccc2nc([C@@H]3CCCOC3)c(O)cc2c1 ZINC000725267441 538098506 /nfs/dbraw/zinc/09/85/06/538098506.db2.gz HHJWDWMDPSVAHC-SECBINFHSA-N 0 0 244.294 2.417 10 0 BEAERN Nc1ccc2nc([C@H]3CCOC3)c(O)cc2c1 ZINC000725267753 538099061 /nfs/dbraw/zinc/09/90/61/538099061.db2.gz VUWJLVGXUAQZJQ-QMMMGPOBSA-N 0 0 230.267 2.027 10 0 BEAERN Cc1noc(CNc2c(N)cccc2Cl)n1 ZINC000044988063 180489733 /nfs/dbraw/zinc/48/97/33/180489733.db2.gz HUULRMMYXMTYIJ-UHFFFAOYSA-N 0 0 238.678 2.226 10 0 BEAERN CS[C@@H]1CCC[C@@H]1n1cnnc1Cl ZINC000235222122 350714462 /nfs/dbraw/zinc/71/44/62/350714462.db2.gz QVQCJHGHVDXHMQ-NKWVEPMBSA-N 0 0 217.725 2.388 10 0 BEAERN OC[C@H](CCNc1ccccc1)[C@@H]1CCOC1 ZINC000725267727 538098826 /nfs/dbraw/zinc/09/88/26/538098826.db2.gz UMFMJITWHCQFFX-QWHCGFSZSA-N 0 0 235.327 2.134 10 0 BEAERN CCCc1ncc(Br)c(=S)[nH]1 ZINC000233385507 350676214 /nfs/dbraw/zinc/67/62/14/350676214.db2.gz RRHWJXSTKWGSHH-UHFFFAOYSA-N 0 0 233.134 2.480 10 0 BEAERN CC(=O)Nc1ncc(-c2ccccc2)n1C ZINC000004677962 191119183 /nfs/dbraw/zinc/11/91/83/191119183.db2.gz CALJXBOREQSUIR-UHFFFAOYSA-N 0 0 215.256 2.046 10 0 BEAERN C[C@H]1C[C@H](C)n2ncc(Br)c2N1 ZINC000235722733 350722805 /nfs/dbraw/zinc/72/28/05/350722805.db2.gz WQMHZJGUENTWJW-WDSKDSINSA-N 0 0 230.109 2.411 10 0 BEAERN CC[N@@H+]1CCCOC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616599363 350743005 /nfs/dbraw/zinc/74/30/05/350743005.db2.gz JXLOQYXKCYUWRF-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN O[C@H](Cc1csc(Cl)c1)[C@@H]1CCCO1 ZINC000306672482 350815075 /nfs/dbraw/zinc/81/50/75/350815075.db2.gz MCPAHZXPAHVEOL-BDAKNGLRSA-N 0 0 232.732 2.484 10 0 BEAERN CO[C@@H](C)c1nc2c(ncnc2Cl)s1 ZINC000306673692 350819069 /nfs/dbraw/zinc/81/90/69/350819069.db2.gz OGRJYLPHSQVOPW-BYPYZUCNSA-N 0 0 229.692 2.447 10 0 BEAERN CC(=O)N1CCCC[C@H](c2ccncc2)C1 ZINC000616600654 350778750 /nfs/dbraw/zinc/77/87/50/350778750.db2.gz BBUZCSJCNXNLPY-ZDUSSCGKSA-N 0 0 218.300 2.198 10 0 BEAERN CC[N@@H+]1CCCOC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616600057 350779497 /nfs/dbraw/zinc/77/94/97/350779497.db2.gz ZKOIYWNKCVQYOQ-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN CC[N@@H+]1CCCC[C@H](c2ncccn2)C1 ZINC000616603852 350795738 /nfs/dbraw/zinc/79/57/38/350795738.db2.gz YCDJEIZXDNCQCZ-NSHDSACASA-N 0 0 205.305 2.066 10 0 BEAERN CC(=O)N1CCCC[C@H](c2cccnc2)C1 ZINC000616603921 350795780 /nfs/dbraw/zinc/79/57/80/350795780.db2.gz YCZYPYUXZPFVAS-ZDUSSCGKSA-N 0 0 218.300 2.198 10 0 BEAERN c1onnc1[C@H]1CCCN1Cc1ccccc1 ZINC000616608168 350796320 /nfs/dbraw/zinc/79/63/20/350796320.db2.gz ZSGPCPKUZFPXPZ-CYBMUJFWSA-N 0 0 229.283 2.407 10 0 BEAERN c1onnc1[C@@H]1CCCN1Cc1ccccc1 ZINC000616608177 350797233 /nfs/dbraw/zinc/79/72/33/350797233.db2.gz ZSGPCPKUZFPXPZ-ZDUSSCGKSA-N 0 0 229.283 2.407 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1ccccc1N ZINC000616608104 350802730 /nfs/dbraw/zinc/80/27/30/350802730.db2.gz WLFRXXCMWNFTTD-LLVKDONJSA-N 0 0 220.272 2.172 10 0 BEAERN NC(=O)N1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616611486 350809171 /nfs/dbraw/zinc/80/91/71/350809171.db2.gz FIMPVHQFQROJIG-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ccon1 ZINC000616611270 350810947 /nfs/dbraw/zinc/81/09/47/350810947.db2.gz AJWSHUGPVIHLMB-SNVBAGLBSA-N 0 0 224.260 2.358 10 0 BEAERN CNc1cccc([C@@H]2CCN(C(C)=O)C2)c1 ZINC000616611343 350810964 /nfs/dbraw/zinc/81/09/64/350810964.db2.gz CMYPSFLCHFVEEZ-GFCCVEGCSA-N 0 0 218.300 2.064 10 0 BEAERN C[C@H](O)CCc1nc2c(ncnc2Cl)s1 ZINC000306676840 350829602 /nfs/dbraw/zinc/82/96/02/350829602.db2.gz XFUUZYFBLOVDOH-YFKPBYRVSA-N 0 0 243.719 2.053 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000616617577 350869977 /nfs/dbraw/zinc/86/99/77/350869977.db2.gz UTYOHTGZURWPGS-LBPRGKRZSA-N 0 0 234.299 2.418 10 0 BEAERN COc1ccc([C@@H](N)C(C)(F)F)cc1 ZINC000306682953 350839366 /nfs/dbraw/zinc/83/93/66/350839366.db2.gz UAPIGXGGZBDKMP-SECBINFHSA-N 0 0 201.216 2.350 10 0 BEAERN C[C@@](O)(c1ccsc1)c1ccsn1 ZINC000306683614 350841834 /nfs/dbraw/zinc/84/18/34/350841834.db2.gz WODVMFNQDUBBOW-SECBINFHSA-N 0 0 211.311 2.460 10 0 BEAERN O[C@H](Cc1csnn1)c1ccoc1Cl ZINC000306686076 350843594 /nfs/dbraw/zinc/84/35/94/350843594.db2.gz JUHXXUVLTMHBTM-SSDOTTSWSA-N 0 0 230.676 2.061 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000616616067 350853384 /nfs/dbraw/zinc/85/33/84/350853384.db2.gz YVXUZWZILJKKFH-JTQLQIEISA-N 0 0 223.276 2.093 10 0 BEAERN NC(=O)N1CCCC[C@H]1c1ccccc1F ZINC000616616052 350853396 /nfs/dbraw/zinc/85/33/96/350853396.db2.gz NEWGISMBARWNSP-NSHDSACASA-N 0 0 222.263 2.431 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1ccccc1CCO ZINC000616616339 350854808 /nfs/dbraw/zinc/85/48/08/350854808.db2.gz SBIBUHVPLFRPQT-HNNXBMFYSA-N 0 0 247.338 2.295 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccon2)C1 ZINC000616617536 350868957 /nfs/dbraw/zinc/86/89/57/350868957.db2.gz SQBQIJZOGVCSTP-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cnoc2)C1 ZINC000616617225 350863320 /nfs/dbraw/zinc/86/33/20/350863320.db2.gz OAJAEMJLLJLSAJ-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN Cc1cnnc(N[C@H](C)C(F)(F)F)c1 ZINC000306727933 350898337 /nfs/dbraw/zinc/89/83/37/350898337.db2.gz JNFGDQPOURUUHE-ZCFIWIBFSA-N 0 0 205.183 2.148 10 0 BEAERN C[C@@H](NC1=N[C@@H](C)CS1)C(C)(F)F ZINC000306729801 350899471 /nfs/dbraw/zinc/89/94/71/350899471.db2.gz DETYKLYXUNFBOB-NTSWFWBYSA-N 0 0 208.277 2.111 10 0 BEAERN CC1(C)CC[C@@H]1[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000306733219 350903179 /nfs/dbraw/zinc/90/31/79/350903179.db2.gz SRMGQRXFWSSQCG-UWVGGRQHSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)n2ccnc2)C[C@H]1C ZINC000251878728 350905448 /nfs/dbraw/zinc/90/54/48/350905448.db2.gz RBAWQIGIHMBOHC-GMTAPVOTSA-N 0 0 221.304 2.266 10 0 BEAERN Cc1oc(C)c(C(=O)N(CCO)C(C)C)c1C ZINC000036793724 180530809 /nfs/dbraw/zinc/53/08/09/180530809.db2.gz HIVOJBVLNHYCHE-UHFFFAOYSA-N 0 0 239.315 2.048 10 0 BEAERN CNc1ccc([C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000616619331 350926723 /nfs/dbraw/zinc/92/67/23/350926723.db2.gz GDBCEJFWWZQIQY-CYBMUJFWSA-N 0 0 232.327 2.454 10 0 BEAERN COC(=O)N1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616617935 350880683 /nfs/dbraw/zinc/88/06/83/350880683.db2.gz FPHBOMOSQRIQPP-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN COc1ccc(F)c(Br)c1O ZINC000215838738 350880697 /nfs/dbraw/zinc/88/06/97/350880697.db2.gz UJAGEPCFKQIIOX-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN Cc1oc(-c2ccccc2)nc1S(C)(=O)=O ZINC000021999216 180527478 /nfs/dbraw/zinc/52/74/78/180527478.db2.gz SUZCLXVFHWXYQO-UHFFFAOYSA-N 0 0 237.280 2.054 10 0 BEAERN C[C@@H](c1cccs1)[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000003746963 350887806 /nfs/dbraw/zinc/88/78/06/350887806.db2.gz YRJHKTBANNZTHG-IUCAKERBSA-N 0 0 225.313 2.358 10 0 BEAERN OC[C@@]1(Cc2nccs2)CC=CCC1 ZINC000306724383 350894115 /nfs/dbraw/zinc/89/41/15/350894115.db2.gz IQTKFFCRRNZGTK-NSHDSACASA-N 0 0 209.314 2.404 10 0 BEAERN COCC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000128996272 350962791 /nfs/dbraw/zinc/96/27/91/350962791.db2.gz VAZJYRYUFKDTHI-GFCCVEGCSA-N 0 0 235.327 2.031 10 0 BEAERN COC(=O)[C@@H](C)c1cc(F)cc(F)c1 ZINC000052232959 350963387 /nfs/dbraw/zinc/96/33/87/350963387.db2.gz YSGLYLNWCKZSLT-LURJTMIESA-N 0 0 200.184 2.241 10 0 BEAERN Cc1cc(Sc2nsnc2Cl)n(C)n1 ZINC000052310314 350979627 /nfs/dbraw/zinc/97/96/27/350979627.db2.gz BUJZOVSWOKZFNO-UHFFFAOYSA-N 0 0 246.748 2.385 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@@H](CC1CC1)N2 ZINC000725268045 538099725 /nfs/dbraw/zinc/09/97/25/538099725.db2.gz GVLSIDSAZUXEDJ-ZIAGYGMSSA-N 0 0 233.311 2.193 10 0 BEAERN Cc1ccc(-c2nccc(CO)n2)s1 ZINC000306761845 350987770 /nfs/dbraw/zinc/98/77/70/350987770.db2.gz DERLKJOCKIQBKK-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN CC[C@@H](NC(N)=S)C1CCCCC1 ZINC000052341099 350988345 /nfs/dbraw/zinc/98/83/45/350988345.db2.gz KVAMPMSBEGYJTO-SECBINFHSA-N 0 0 200.351 2.179 10 0 BEAERN CC[C@@H](Nc1nc(C(N)=O)cs1)C(C)C ZINC000292422538 350997551 /nfs/dbraw/zinc/99/75/51/350997551.db2.gz FSXGSRUENHTHRT-SSDOTTSWSA-N 0 0 227.333 2.089 10 0 BEAERN COc1cccc2c1N[C@H](C(C)(C)C)[C@@H](O)C2 ZINC000725267931 538099770 /nfs/dbraw/zinc/09/97/70/538099770.db2.gz CIZNPIONEJULQT-GWCFXTLKSA-N 0 0 235.327 2.439 10 0 BEAERN COc1ccc([C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000616620667 350944843 /nfs/dbraw/zinc/94/48/43/350944843.db2.gz RQJXAUWKKVTJLM-CYBMUJFWSA-N 0 0 233.311 2.421 10 0 BEAERN [NH3+][C@H]1CCCc2sc(C(F)(F)F)nc21 ZINC000159602257 350949805 /nfs/dbraw/zinc/94/98/05/350949805.db2.gz PXTNUPSZFCCQPL-BYPYZUCNSA-N 0 0 222.235 2.498 10 0 BEAERN [NH3+][C@@H]1CCCc2sc(C(F)(F)F)nc21 ZINC000159602102 350949889 /nfs/dbraw/zinc/94/98/89/350949889.db2.gz PXTNUPSZFCCQPL-SCSAIBSYSA-N 0 0 222.235 2.498 10 0 BEAERN Cc1csc(-c2noc(Cl)n2)n1 ZINC000159605518 350949916 /nfs/dbraw/zinc/94/99/16/350949916.db2.gz BWZDCXLZBXVRDC-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN Cc1csc([C@@H]2NCCCS2)n1 ZINC000159621093 350955607 /nfs/dbraw/zinc/95/56/07/350955607.db2.gz BYIADZNBSUKSBR-SSDOTTSWSA-N 0 0 200.332 2.177 10 0 BEAERN Cc1sc(C(=O)NC2CCCC2)cc1N ZINC000040292308 180557665 /nfs/dbraw/zinc/55/76/65/180557665.db2.gz FHMDRBOEVMESBO-UHFFFAOYSA-N 0 0 224.329 2.311 10 0 BEAERN Cc1onc2c1c(-c1cccs1)n[nH]c2=O ZINC000090411950 180553234 /nfs/dbraw/zinc/55/32/34/180553234.db2.gz ZEIHOVGINRLQNR-UHFFFAOYSA-N 0 0 233.252 2.360 10 0 BEAERN CCC[S@@](=O)Nc1cc(Cl)ccc1N ZINC000306795990 351048259 /nfs/dbraw/zinc/04/82/59/351048259.db2.gz HFOPLFPLEYVOMD-CQSZACIVSA-N 0 0 232.736 2.408 10 0 BEAERN C[C@]1([C@@H]2CCC[C@H](CO)O2)CCCS1 ZINC000306805318 351057032 /nfs/dbraw/zinc/05/70/32/351057032.db2.gz ZYKHZVFCCIWAPN-OUAUKWLOSA-N 0 0 216.346 2.202 10 0 BEAERN COc1cnc([C@H]2CC[C@@H](C)O2)nc1Cl ZINC000306807071 351059330 /nfs/dbraw/zinc/05/93/30/351059330.db2.gz LMPCGJKBHXPJBK-RNFRBKRXSA-N 0 0 228.679 2.379 10 0 BEAERN Cc1cccc(N[S@](=O)C(C)C)c1O ZINC000306809324 351062007 /nfs/dbraw/zinc/06/20/07/351062007.db2.gz RPKRRIRQYJTECI-CQSZACIVSA-N 0 0 213.302 2.185 10 0 BEAERN Cc1sccc1[C@@H]1NC(=O)[C@H]1C(C)C ZINC000306770716 351012835 /nfs/dbraw/zinc/01/28/35/351012835.db2.gz BWVNMVSCUWKCHK-UWVGGRQHSA-N 0 0 209.314 2.500 10 0 BEAERN Cc1cc(N)cc(-n2cc(Cl)cn2)c1 ZINC000159864099 351015179 /nfs/dbraw/zinc/01/51/79/351015179.db2.gz PPBJGWISRUQDIW-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN COC(=O)N1CCC[C@@H](C(F)F)CC1 ZINC000616630913 351104591 /nfs/dbraw/zinc/10/45/91/351104591.db2.gz NRXSSIGJJGHESM-SSDOTTSWSA-N 0 0 207.220 2.120 10 0 BEAERN COC(=O)N1CCC[C@@H](c2cccnc2)CC1 ZINC000616631456 351105343 /nfs/dbraw/zinc/10/53/43/351105343.db2.gz VYAWUIKTODBZGP-LLVKDONJSA-N 0 0 234.299 2.418 10 0 BEAERN C[C@@H]1NC(=O)Oc2cn(CCC(C)(C)C)nc21 ZINC000725268187 538100050 /nfs/dbraw/zinc/10/00/50/538100050.db2.gz KCUUEEDPEDYVRJ-QMMMGPOBSA-N 0 0 237.303 2.482 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccncn2)CC1 ZINC000616626656 351106072 /nfs/dbraw/zinc/10/60/72/351106072.db2.gz CEXVETXIYMGOTN-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN NC(=O)N1CC[C@H](c2nccc3ccccc32)C1 ZINC000616626760 351107241 /nfs/dbraw/zinc/10/72/41/351107241.db2.gz XAIFJSRWAGQNKE-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2cnoc2)C1 ZINC000616627240 351108093 /nfs/dbraw/zinc/10/80/93/351108093.db2.gz DNDRUUUHNVHIKW-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN CC(=O)Nc1cccc([C@H]2CCCN2C(C)=O)c1 ZINC000616634108 351116307 /nfs/dbraw/zinc/11/63/07/351116307.db2.gz RERODQFXRPYBQU-CQSZACIVSA-N 0 0 246.310 2.328 10 0 BEAERN OC1(c2ccccc2Cl)CCOCC1 ZINC000063076865 351071771 /nfs/dbraw/zinc/07/17/71/351071771.db2.gz UFXPXWMPDJOZQT-UHFFFAOYSA-N 0 0 212.676 2.338 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cocn1 ZINC000616623678 351090237 /nfs/dbraw/zinc/09/02/37/351090237.db2.gz OYGIJFTVVFKZJK-JTQLQIEISA-N 0 0 224.260 2.358 10 0 BEAERN COC(=O)N1CCCCC[C@H]1c1cc[nH]n1 ZINC000616624154 351090985 /nfs/dbraw/zinc/09/09/85/351090985.db2.gz VOFRGGHIMLXITO-JTQLQIEISA-N 0 0 223.276 2.093 10 0 BEAERN NC(=O)N1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616627433 351094732 /nfs/dbraw/zinc/09/47/32/351094732.db2.gz DBOIWNGTJAIFRF-LLVKDONJSA-N 0 0 236.290 2.474 10 0 BEAERN CCOC(=O)N1CCC[C@@H](n2cccn2)CC1 ZINC000616627367 351094950 /nfs/dbraw/zinc/09/49/50/351094950.db2.gz KRPORQIGVPQFMA-LLVKDONJSA-N 0 0 237.303 2.067 10 0 BEAERN COC(=O)N1CCC[C@@H](c2cnco2)CC1 ZINC000616628652 351098623 /nfs/dbraw/zinc/09/86/23/351098623.db2.gz FZYVOPBNVMFRQC-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN COC(=O)N1CCC[C@H](Nc2ccccn2)CC1 ZINC000616628864 351099281 /nfs/dbraw/zinc/09/92/81/351099281.db2.gz IRZDNJJJMUWPLU-NSHDSACASA-N 0 0 249.314 2.114 10 0 BEAERN FC(F)[C@H]1COCCN1Cc1ccccc1 ZINC000616639818 351145174 /nfs/dbraw/zinc/14/51/74/351145174.db2.gz OGECDBMRYNHAPX-LLVKDONJSA-N 0 0 227.254 2.153 10 0 BEAERN Cc1ccn(-c2ccncc2Br)n1 ZINC000159969630 351148155 /nfs/dbraw/zinc/14/81/55/351148155.db2.gz XTVUEATYWKBVTC-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN CN1CCOC[C@H]1c1cnc2ccccc2c1 ZINC000616641720 351151472 /nfs/dbraw/zinc/15/14/72/351151472.db2.gz NFYSTUOHKZDJTP-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCOC[C@H]1c1ccc2ncccc2c1 ZINC000616642043 351151484 /nfs/dbraw/zinc/15/14/84/351151484.db2.gz UAGHHBGCQVTRQJ-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCO[C@H](c2ccc3ccccc3n2)C1 ZINC000616643217 351156276 /nfs/dbraw/zinc/15/62/76/351156276.db2.gz FNFCRQBRKMUHEF-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN CC(C)(C)N1CCCOC[C@@H]1c1ccon1 ZINC000616647334 351165164 /nfs/dbraw/zinc/16/51/64/351165164.db2.gz YNIUXCYBWLBCCG-LLVKDONJSA-N 0 0 224.304 2.237 10 0 BEAERN CC(C)(C)N1CCO[C@@H](c2ccncc2)C1 ZINC000616644942 351165949 /nfs/dbraw/zinc/16/59/49/351165949.db2.gz LVHSRNDVIDFRIW-GFCCVEGCSA-N 0 0 220.316 2.253 10 0 BEAERN CCN1CCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616645490 351167871 /nfs/dbraw/zinc/16/78/71/351167871.db2.gz CUZRMGVVCDSCKX-AWEZNQCLSA-N 0 0 243.310 2.023 10 0 BEAERN CC(C)(C)N1CCCOC[C@@H]1c1cocn1 ZINC000616647352 351169412 /nfs/dbraw/zinc/16/94/12/351169412.db2.gz YYDFYOUBFIHRMC-LLVKDONJSA-N 0 0 224.304 2.237 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cnco2)C1 ZINC000616650394 351173974 /nfs/dbraw/zinc/17/39/74/351173974.db2.gz BKJMSLOBFDXFMI-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CS[C@H](C)C1 ZINC000306857664 351183593 /nfs/dbraw/zinc/18/35/93/351183593.db2.gz DPLRSNBANUAGKJ-VDTYLAMSSA-N 0 0 217.725 2.306 10 0 BEAERN CCc1cc(=S)n(-c2cccnc2)[nH]1 ZINC000306857401 351183739 /nfs/dbraw/zinc/18/37/39/351183739.db2.gz ZUPXDFXYZPGPNC-UHFFFAOYSA-N 0 0 205.286 2.118 10 0 BEAERN Clc1c2cc[nH]c2ncc1-c1ncno1 ZINC000095936965 180574198 /nfs/dbraw/zinc/57/41/98/180574198.db2.gz XSDQIKWIJRUAOQ-UHFFFAOYSA-N 0 0 220.619 2.266 10 0 BEAERN Cc1cnn(C)c1C(=O)c1cccs1 ZINC000306824138 351133693 /nfs/dbraw/zinc/13/36/93/351133693.db2.gz SOCGNXKKDFFNQB-UHFFFAOYSA-N 0 0 206.270 2.021 10 0 BEAERN CC(C)[N@@H+]1CCOC[C@@H]1c1ccccc1CCO ZINC000616638525 351139944 /nfs/dbraw/zinc/13/99/44/351139944.db2.gz WMNPVPZRKZHKLC-OAHLLOKOSA-N 0 0 249.354 2.003 10 0 BEAERN CCOC(=O)N1C[C@H](CCO)Cc2ccccc21 ZINC000616669455 351228874 /nfs/dbraw/zinc/22/88/74/351228874.db2.gz GSOQKKMETRCBMK-LLVKDONJSA-N 0 0 249.310 2.204 10 0 BEAERN CCN1c2ccccc2CC[C@@H]1C(C)=O ZINC000616669235 351229014 /nfs/dbraw/zinc/22/90/14/351229014.db2.gz OPJXUOVLBFLYNJ-GFCCVEGCSA-N 0 0 203.285 2.417 10 0 BEAERN c1cnc([C@@H]2CNc3ccccc3C2)nc1 ZINC000616670903 351231161 /nfs/dbraw/zinc/23/11/61/351231161.db2.gz UGIUCRIBGSOLIA-NSHDSACASA-N 0 0 211.268 2.228 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@H]1c1cn[nH]c1 ZINC000616671150 351231740 /nfs/dbraw/zinc/23/17/40/351231740.db2.gz QLEHVTRTWMFNSS-AWEZNQCLSA-N 0 0 241.294 2.450 10 0 BEAERN CN1c2ccccc2CC[C@@H]1c1conn1 ZINC000616670616 351233164 /nfs/dbraw/zinc/23/31/64/351233164.db2.gz ZMFGYGSIGALVJW-GFCCVEGCSA-N 0 0 215.256 2.193 10 0 BEAERN CN1C[C@@H](c2cocn2)Cc2ccccc21 ZINC000616672404 351235958 /nfs/dbraw/zinc/23/59/58/351235958.db2.gz JTGJDRAROFGMOG-NSHDSACASA-N 0 0 214.268 2.451 10 0 BEAERN CC(=O)N1C[C@H](c2cocn2)Cc2ccccc21 ZINC000616671811 351236560 /nfs/dbraw/zinc/23/65/60/351236560.db2.gz CWKWJMPAOQHWTJ-GFCCVEGCSA-N 0 0 242.278 2.367 10 0 BEAERN COC(=O)[C@@H]1Cc2ccccc2N(C(C)C)C1 ZINC000616671780 351236806 /nfs/dbraw/zinc/23/68/06/351236806.db2.gz UNAJZNDFZLOCJM-GFCCVEGCSA-N 0 0 233.311 2.247 10 0 BEAERN CC(C)N1C[C@H](c2cn[nH]n2)Cc2ccccc21 ZINC000616673703 351237444 /nfs/dbraw/zinc/23/74/44/351237444.db2.gz WWCCWBORZQLBAP-GFCCVEGCSA-N 0 0 242.326 2.359 10 0 BEAERN NC(=O)N1C[C@H](C(F)(F)F)Cc2ccccc21 ZINC000616672606 351239399 /nfs/dbraw/zinc/23/93/99/351239399.db2.gz HEODAJVJSSRIQL-MRVPVSSYSA-N 0 0 244.216 2.306 10 0 BEAERN CC(C)(C)N1C[C@@H](CO)Cc2ccccc21 ZINC000616673101 351240231 /nfs/dbraw/zinc/24/02/31/351240231.db2.gz MNMRNWOEATXEHD-NSHDSACASA-N 0 0 219.328 2.456 10 0 BEAERN CN1CC[C@H](c2ccncn2)c2ccccc21 ZINC000616675886 351240309 /nfs/dbraw/zinc/24/03/09/351240309.db2.gz SHMQQCQPTJYBMO-NSHDSACASA-N 0 0 225.295 2.448 10 0 BEAERN CCN1CC[C@H](c2c[nH]nn2)c2ccccc21 ZINC000616675119 351242193 /nfs/dbraw/zinc/24/21/93/351242193.db2.gz NMLHZVNJXRGJFX-JTQLQIEISA-N 0 0 228.299 2.167 10 0 BEAERN c1ccc2c(c1)NCC[C@H]2c1cncnc1 ZINC000616674763 351242207 /nfs/dbraw/zinc/24/22/07/351242207.db2.gz GQDOIZXVSHPCEY-NSHDSACASA-N 0 0 211.268 2.424 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@H]1c1ccon1 ZINC000616681505 351245925 /nfs/dbraw/zinc/24/59/25/351245925.db2.gz YREIGYOWXCPMEQ-AWEZNQCLSA-N 0 0 242.278 2.169 10 0 BEAERN CN1C[C@@H](c2ccncn2)Nc2ccccc21 ZINC000616680314 351246789 /nfs/dbraw/zinc/24/67/89/351246789.db2.gz AYDIOFKRJPWKCN-LBPRGKRZSA-N 0 0 226.283 2.080 10 0 BEAERN CCN1C[C@@H](c2cccnn2)Nc2ccccc21 ZINC000616680377 351246806 /nfs/dbraw/zinc/24/68/06/351246806.db2.gz DHQCXIWLBJOLOD-ZDUSSCGKSA-N 0 0 240.310 2.470 10 0 BEAERN CN1C[C@@H](c2cocn2)Nc2ccccc21 ZINC000616680343 351247077 /nfs/dbraw/zinc/24/70/77/351247077.db2.gz BUPXNPKQTQVGBE-JTQLQIEISA-N 0 0 215.256 2.278 10 0 BEAERN S=c1[nH]ccn1CCc1nccs1 ZINC000063134652 351247482 /nfs/dbraw/zinc/24/74/82/351247482.db2.gz IHNSIQOWKMKUTM-UHFFFAOYSA-N 0 0 211.315 2.245 10 0 BEAERN CCN1C[C@H](c2cccnn2)Nc2ccccc21 ZINC000616681992 351252161 /nfs/dbraw/zinc/25/21/61/351252161.db2.gz DHQCXIWLBJOLOD-CYBMUJFWSA-N 0 0 240.310 2.470 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cncnc1 ZINC000616682582 351252734 /nfs/dbraw/zinc/25/27/34/351252734.db2.gz KKBPSEZRSZCFQY-CYBMUJFWSA-N 0 0 226.283 2.080 10 0 BEAERN CO[C@H]1CN(C(C)C)c2ccccc2N1 ZINC000616683607 351252862 /nfs/dbraw/zinc/25/28/62/351252862.db2.gz SEQHRAAHHRSISX-LBPRGKRZSA-N 0 0 206.289 2.299 10 0 BEAERN CCN1C[C@H](c2cc[nH]n2)Nc2ccccc21 ZINC000616682323 351252879 /nfs/dbraw/zinc/25/28/79/351252879.db2.gz JIVATYWSKFMWGX-GFCCVEGCSA-N 0 0 228.299 2.403 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1cncnc1 ZINC000616684293 351255240 /nfs/dbraw/zinc/25/52/40/351255240.db2.gz XZEOUVHRGBCUNF-CQSZACIVSA-N 0 0 240.310 2.470 10 0 BEAERN CC[N@@H+]1CCO[C@H](c2ccccc2C(=O)[O-])CC1 ZINC000616686398 351257069 /nfs/dbraw/zinc/25/70/69/351257069.db2.gz JMIXGEMELSJSBR-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN NC(=O)N1C[C@@H](C(F)(F)F)Cc2ccccc21 ZINC000616689621 351259347 /nfs/dbraw/zinc/25/93/47/351259347.db2.gz HEODAJVJSSRIQL-QMMMGPOBSA-N 0 0 244.216 2.306 10 0 BEAERN COc1cccc([C@H](O)C(C)(F)F)c1 ZINC000306870221 351259581 /nfs/dbraw/zinc/25/95/81/351259581.db2.gz STIUNNQPEMSUSQ-VIFPVBQESA-N 0 0 202.200 2.384 10 0 BEAERN COc1cccc([C@@H](O)C(C)(F)F)c1 ZINC000306870218 351259629 /nfs/dbraw/zinc/25/96/29/351259629.db2.gz STIUNNQPEMSUSQ-SECBINFHSA-N 0 0 202.200 2.384 10 0 BEAERN C[N@@H+]1CCOC[C@H](c2ccc3ccncc3c2)C1 ZINC000616657339 351197967 /nfs/dbraw/zinc/19/79/67/351197967.db2.gz FCXDGOPOGJYTLG-OAHLLOKOSA-N 0 0 242.322 2.280 10 0 BEAERN CC(=O)N1CCOCC[C@@H]1c1ccc(F)cc1 ZINC000616657794 351199709 /nfs/dbraw/zinc/19/97/09/351199709.db2.gz OWOMEKJGZZMHTG-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN COc1cccc([C@@H]2CCOCCN2C(C)=O)c1 ZINC000616657899 351199838 /nfs/dbraw/zinc/19/98/38/351199838.db2.gz ZNBFBDPCGDWQAJ-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CC(C)(C)N1CCOCC[C@@H]1c1cocn1 ZINC000616656450 351202394 /nfs/dbraw/zinc/20/23/94/351202394.db2.gz VQPINDLBAAUFJM-LLVKDONJSA-N 0 0 224.304 2.237 10 0 BEAERN C[C@H]1CC[C@@H]1Nc1ncnc(Cl)c1C=O ZINC000306859978 351205433 /nfs/dbraw/zinc/20/54/33/351205433.db2.gz DKXPSKJHWZGVKZ-XPUUQOCRSA-N 0 0 225.679 2.153 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1c1ccon1 ZINC000616667564 351224794 /nfs/dbraw/zinc/22/47/94/351224794.db2.gz DPRHBHINLPVRBH-GFCCVEGCSA-N 0 0 243.266 2.247 10 0 BEAERN CC(=O)N1CCO[C@@H](c2cccc(F)c2)CC1 ZINC000616666327 351225815 /nfs/dbraw/zinc/22/58/15/351225815.db2.gz OHNURQSCQAHFHZ-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN c1onnc1[C@@H]1CCc2ccccc2N1 ZINC000616666862 351227490 /nfs/dbraw/zinc/22/74/90/351227490.db2.gz YQXUHZRKKGRVCB-JTQLQIEISA-N 0 0 201.229 2.169 10 0 BEAERN CCc1cccc(C(=O)[C@@H]2CCOC2)c1 ZINC000168000799 351227977 /nfs/dbraw/zinc/22/79/77/351227977.db2.gz CLSZTHXKQPXXMM-GFCCVEGCSA-N 0 0 204.269 2.468 10 0 BEAERN c1ccc2c(c1)C[C@H](c1cncnc1)CN2 ZINC000616669044 351228123 /nfs/dbraw/zinc/22/81/23/351228123.db2.gz JNRNCAPTRZMQRU-NSHDSACASA-N 0 0 211.268 2.228 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nccc(SC)n1 ZINC000306881955 351288212 /nfs/dbraw/zinc/28/82/12/351288212.db2.gz MTOWCMGSQSIQBV-SFYZADRCSA-N 0 0 209.318 2.409 10 0 BEAERN CC(C)(O)c1occc1Br ZINC000068980978 351311476 /nfs/dbraw/zinc/31/14/76/351311476.db2.gz ZCYOVCZHTKXVBX-UHFFFAOYSA-N 0 0 205.051 2.270 10 0 BEAERN O[C@@H](c1occc1Br)[C@H]1CCOC1 ZINC000068981409 351312707 /nfs/dbraw/zinc/31/27/07/351312707.db2.gz XNHJRJFMJKHDPK-POYBYMJQSA-N 0 0 247.088 2.112 10 0 BEAERN CSC[C@H](O)c1occc1Br ZINC000068982061 351320073 /nfs/dbraw/zinc/32/00/73/351320073.db2.gz BUBYJTIQIFMCAP-LURJTMIESA-N 0 0 237.118 2.439 10 0 BEAERN Nc1cc(OC(F)(F)F)cc(O)c1F ZINC000306907484 351322015 /nfs/dbraw/zinc/32/20/15/351322015.db2.gz DCQIKAPGEAMNAE-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN C[C@H]1SCCC[C@@]1(O)C1=COCCC1 ZINC000159983196 351265904 /nfs/dbraw/zinc/26/59/04/351265904.db2.gz OIMSBRWIKCWNEX-KOLCDFICSA-N 0 0 214.330 2.327 10 0 BEAERN Cc1ccc(-c2nn(C)cc2C=O)s1 ZINC000034961705 351366912 /nfs/dbraw/zinc/36/69/12/351366912.db2.gz JIYAJNVEAPGDAK-UHFFFAOYSA-N 0 0 206.270 2.270 10 0 BEAERN Cc1c(N)n[nH]c1-c1ccc(Br)o1 ZINC000034975905 351370549 /nfs/dbraw/zinc/37/05/49/351370549.db2.gz JQMAFFLMEPRWJD-UHFFFAOYSA-N 0 0 242.076 2.323 10 0 BEAERN N[C@@H](c1cscn1)c1ccoc1Cl ZINC000306989778 351404977 /nfs/dbraw/zinc/40/49/77/351404977.db2.gz HWUWOFOIJLYVGM-SSDOTTSWSA-N 0 0 214.677 2.438 10 0 BEAERN N[C@H](c1cscn1)c1ccoc1Cl ZINC000306989780 351405520 /nfs/dbraw/zinc/40/55/20/351405520.db2.gz HWUWOFOIJLYVGM-ZETCQYMHSA-N 0 0 214.677 2.438 10 0 BEAERN NC(=S)Nc1cccc(C(F)F)c1 ZINC000306961112 351383956 /nfs/dbraw/zinc/38/39/56/351383956.db2.gz ALFPIQVOLFFOQM-UHFFFAOYSA-N 0 0 202.229 2.280 10 0 BEAERN CCc1ccc(C2=CCS(=O)(=O)C2)cc1 ZINC000040173736 351391435 /nfs/dbraw/zinc/39/14/35/351391435.db2.gz DBQCQVPOEFHIGV-UHFFFAOYSA-N 0 0 222.309 2.061 10 0 BEAERN O=S1(=O)C=C[C@@H](c2ccccc2Cl)C1 ZINC000040173752 351392598 /nfs/dbraw/zinc/39/25/98/351392598.db2.gz AISJVZVGAQSEEX-MRVPVSSYSA-N 0 0 228.700 2.366 10 0 BEAERN CCOC(=O)C[C@H](C)Nc1ccccc1N ZINC000142121339 351339682 /nfs/dbraw/zinc/33/96/82/351339682.db2.gz BTSVUWYKVSIBLH-VIFPVBQESA-N 0 0 222.288 2.022 10 0 BEAERN Cc1nc(C)n(C[C@H]2CC2(Cl)Cl)n1 ZINC000306924661 351343158 /nfs/dbraw/zinc/34/31/58/351343158.db2.gz KCDSNGLUDFQSPQ-SSDOTTSWSA-N 0 0 220.103 2.089 10 0 BEAERN NC(=O)c1ccc(C(F)F)c(F)c1F ZINC000306928954 351345970 /nfs/dbraw/zinc/34/59/70/351345970.db2.gz AUAXRWFYBOSRBK-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN CC1(C)C[C@H](n2cn[nH]c2=S)CCO1 ZINC000215431609 351346447 /nfs/dbraw/zinc/34/64/47/351346447.db2.gz RXOXCQCMTHZUNA-SSDOTTSWSA-N 0 0 213.306 2.071 10 0 BEAERN Cc1ccc([C@H]2CNC(=O)C2)cc1Cl ZINC000228773380 351346525 /nfs/dbraw/zinc/34/65/25/351346525.db2.gz GLTLTIBXCAFJKO-SECBINFHSA-N 0 0 209.676 2.252 10 0 BEAERN CCC[C@H](C)NC(=O)[C@@H](C)NCc1ccco1 ZINC000034938486 351353549 /nfs/dbraw/zinc/35/35/49/351353549.db2.gz FNQCBVJILCBIEW-WDEREUQCSA-N 0 0 238.331 2.063 10 0 BEAERN C[C@H](CO)Nc1cc(F)cc(Br)c1 ZINC000306939752 351361153 /nfs/dbraw/zinc/36/11/53/351361153.db2.gz KOLNIKKMRUWVTN-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN Cc1oncc1-c1nc(-c2ccc(O)cc2)no1 ZINC000034956061 351361847 /nfs/dbraw/zinc/36/18/47/351361847.db2.gz CJKXVFXIUVFFFT-UHFFFAOYSA-N 0 0 243.222 2.406 10 0 BEAERN CCOC(=O)Cc1nc(-c2cccnc2)cs1 ZINC000034956307 351361960 /nfs/dbraw/zinc/36/19/60/351361960.db2.gz OVHZAMQVOYAIHR-UHFFFAOYSA-N 0 0 248.307 2.311 10 0 BEAERN Cc1cc(-c2noc([C@H](C)N)n2)cs1 ZINC000307033252 351432480 /nfs/dbraw/zinc/43/24/80/351432480.db2.gz LLMKXQKEHMBYCJ-LURJTMIESA-N 0 0 209.274 2.126 10 0 BEAERN CC1(C)OC[C@@H](Cc2ccsc2)[C@H]1O ZINC000307035879 351438014 /nfs/dbraw/zinc/43/80/14/351438014.db2.gz WCKSOFVZWJYSQP-NXEZZACHSA-N 0 0 212.314 2.077 10 0 BEAERN O=C1CC[C@H](N2CCC=C(Br)C2)C1 ZINC000404425408 351439912 /nfs/dbraw/zinc/43/99/12/351439912.db2.gz MAEFXHCXWMXMPK-VIFPVBQESA-N 0 0 244.132 2.093 10 0 BEAERN CC(=O)c1cnc(-c2ccns2)s1 ZINC000404438217 351449852 /nfs/dbraw/zinc/44/98/52/351449852.db2.gz DWTILSNSGDZUMD-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN Cc1cc([C@H]2NC[C@@H](C)S2)sn1 ZINC000404439022 351450193 /nfs/dbraw/zinc/45/01/93/351450193.db2.gz IRMBHIPFURHQLB-SVRRBLITSA-N 0 0 200.332 2.175 10 0 BEAERN NNc1cc2ccc(F)cc2nc1[C@@H]1CCOC1 ZINC000725268303 538100236 /nfs/dbraw/zinc/10/02/36/538100236.db2.gz LVSBYYADEDFVSL-SECBINFHSA-N 0 0 247.273 2.163 10 0 BEAERN COc1ccc(C(F)(F)F)c(F)c1N ZINC000307055892 351455882 /nfs/dbraw/zinc/45/58/82/351455882.db2.gz UVZDPXMJOCZNBG-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN Cc1cc([C@@H]2N[C@@H](C)CS2)sn1 ZINC000404459568 351458345 /nfs/dbraw/zinc/45/83/45/351458345.db2.gz ZDPLRNYCTNOQOF-POYBYMJQSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@@H](CNC(=O)OC(C)(C)C)c1cnco1 ZINC000307069021 351463408 /nfs/dbraw/zinc/46/34/08/351463408.db2.gz YTUHFTMFUCWNPL-QMMMGPOBSA-N 0 0 226.276 2.303 10 0 BEAERN S=c1[nH]ccn1C[C@H]1CCCSC1 ZINC000306984370 351407711 /nfs/dbraw/zinc/40/77/11/351407711.db2.gz VCKQHZSJBDASDB-MRVPVSSYSA-N 0 0 214.359 2.315 10 0 BEAERN CC1(C)CC[C@H]1[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000306998579 351412732 /nfs/dbraw/zinc/41/27/32/351412732.db2.gz YJTZGUKOWAFCMG-NXEZZACHSA-N 0 0 211.305 2.114 10 0 BEAERN CO[C@H]1CC[C@@H](OCc2ccccc2)CO1 ZINC000214526993 351416540 /nfs/dbraw/zinc/41/65/40/351416540.db2.gz RPWJABFKEMWTRZ-CHWSQXEVSA-N 0 0 222.284 2.355 10 0 BEAERN CC1CCC([C@@H]([NH3+])C(C)(C)C(=O)[O-])CC1 ZINC000307011587 351419368 /nfs/dbraw/zinc/41/93/68/351419368.db2.gz LDUREGYMBPLYIU-UDNWOFFPSA-N 0 0 213.321 2.251 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@H]1CCCC12CCC2 ZINC000307017274 351422880 /nfs/dbraw/zinc/42/28/80/351422880.db2.gz PWJHSJRIZFBVEZ-ZJUUUORDSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCC12CCC2 ZINC000307017272 351423052 /nfs/dbraw/zinc/42/30/52/351423052.db2.gz PWJHSJRIZFBVEZ-VHSXEESVSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCCC12CCC2 ZINC000307017270 351423160 /nfs/dbraw/zinc/42/31/60/351423160.db2.gz PWJHSJRIZFBVEZ-UWVGGRQHSA-N 0 0 211.305 2.114 10 0 BEAERN CC[C@@H](O)[C@@H](O)c1ccc(C)c(Cl)c1 ZINC000231986542 351494142 /nfs/dbraw/zinc/49/41/42/351494142.db2.gz REYMFEWHCBOKHJ-MNOVXSKESA-N 0 0 214.692 2.453 10 0 BEAERN Cc1ccc([C@@]2(O)CCOC2)cc1Cl ZINC000231980729 351494319 /nfs/dbraw/zinc/49/43/19/351494319.db2.gz WQPUGRKHORWSSK-LLVKDONJSA-N 0 0 212.676 2.256 10 0 BEAERN Clc1cnc(Cl)nc1OC1CC1 ZINC000095831296 180601879 /nfs/dbraw/zinc/60/18/79/180601879.db2.gz JYNXVWWXEMWBML-UHFFFAOYSA-N 0 0 205.044 2.325 10 0 BEAERN CCc1nc([C@@H]2NC[C@H](C)S2)cs1 ZINC000307154794 351503989 /nfs/dbraw/zinc/50/39/89/351503989.db2.gz LGWJFJWNBMBCMX-IMTBSYHQSA-N 0 0 214.359 2.429 10 0 BEAERN C[C@H]([C@H]1C[C@H]1C)n1ncc(Br)c1N ZINC000307150716 351504503 /nfs/dbraw/zinc/50/45/03/351504503.db2.gz AQROMPBKYFXCPJ-QYNIQEEDSA-N 0 0 244.136 2.445 10 0 BEAERN Clc1ccncc1NCc1ncc[nH]1 ZINC000083345602 180597637 /nfs/dbraw/zinc/59/76/37/180597637.db2.gz HVEFJISOKLRYSB-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN COc1ccc(N)c(C(F)(F)F)c1F ZINC000307091076 351474325 /nfs/dbraw/zinc/47/43/25/351474325.db2.gz WYOXXJIJTRLXAG-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN N[C@H](c1ccc(Cl)o1)c1ccns1 ZINC000307101627 351477176 /nfs/dbraw/zinc/47/71/76/351477176.db2.gz YZQSYSGZOWDVTF-MRVPVSSYSA-N 0 0 214.677 2.438 10 0 BEAERN N[C@@H](c1ccsn1)c1ccc(Cl)o1 ZINC000307121840 351489641 /nfs/dbraw/zinc/48/96/41/351489641.db2.gz KFKJWTUSFZKJCY-QMMMGPOBSA-N 0 0 214.677 2.438 10 0 BEAERN COC(=O)c1cc(O)cc(F)c1Br ZINC000307121330 351489660 /nfs/dbraw/zinc/48/96/60/351489660.db2.gz IXYDBUKVXJFDFF-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN CC1(C)CC[C@@H]1[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000307121327 351489776 /nfs/dbraw/zinc/48/97/76/351489776.db2.gz IXXPIYHZZABBHE-CABZTGNLSA-N 0 0 211.305 2.114 10 0 BEAERN Clc1nncc2cn(-c3ccccc3)nc21 ZINC000036379898 180604537 /nfs/dbraw/zinc/60/45/37/180604537.db2.gz LSYABZLGYGWPEX-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](O)C2)s1 ZINC000390795745 363059973 /nfs/dbraw/zinc/05/99/73/363059973.db2.gz QWHLJZBIIRPHCS-SFYZADRCSA-N 0 0 242.300 2.372 10 0 BEAERN Cn1c2cccc(F)c2nc1-c1cncc(N)c1 ZINC000062946694 180608504 /nfs/dbraw/zinc/60/85/04/180608504.db2.gz ODYTYVFXRHFNFY-UHFFFAOYSA-N 0 0 242.257 2.357 10 0 BEAERN CC(F)(F)Cc1nncn1C(C)(C)C ZINC000307168338 351541763 /nfs/dbraw/zinc/54/17/63/351541763.db2.gz UYGUUAYHNYEXFW-UHFFFAOYSA-N 0 0 203.236 2.231 10 0 BEAERN O=c1[nH]c2ccc(Br)cc2cc1F ZINC000606301892 351552647 /nfs/dbraw/zinc/55/26/47/351552647.db2.gz NCDUQAPVPHHQQL-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN CCC(=O)c1nccn1-c1ccccc1 ZINC000307169753 351544183 /nfs/dbraw/zinc/54/41/83/351544183.db2.gz ZAQJBIJMQVEGLN-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN CC1(C)SC[C@H]1[NH2+]Cc1sccc1N ZINC000307169692 351544976 /nfs/dbraw/zinc/54/49/76/351544976.db2.gz YTLOVRWEQJKACB-SECBINFHSA-N 0 0 228.386 2.314 10 0 BEAERN COC(=O)c1c(F)cnc2ccccc21 ZINC000606301839 351551600 /nfs/dbraw/zinc/55/16/00/351551600.db2.gz HDKOZVADOXEVJN-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000307178730 351565631 /nfs/dbraw/zinc/56/56/31/351565631.db2.gz JNLWOMSRTBXKQN-APPZFPTMSA-N 0 0 201.697 2.434 10 0 BEAERN Cn1c2cc(Br)ccc2sc1=O ZINC000098179114 180613100 /nfs/dbraw/zinc/61/31/00/180613100.db2.gz DJLKLNMMNDISGC-UHFFFAOYSA-N 0 0 244.113 2.363 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H]([C@@H]1CCCOC1)N2 ZINC000725268390 538100632 /nfs/dbraw/zinc/10/06/32/538100632.db2.gz PJWFVXJDWLCKDI-BYCMXARLSA-N 0 0 247.338 2.119 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](O)[C@H](C(F)F)N2 ZINC000725268587 538100640 /nfs/dbraw/zinc/10/06/40/538100640.db2.gz WJEAUXRNVNYHKH-WDEREUQCSA-N 0 0 243.253 2.048 10 0 BEAERN CC(=O)c1cnc(C[C@H]2CCCO2)s1 ZINC000054159109 351570465 /nfs/dbraw/zinc/57/04/65/351570465.db2.gz RAAWXIDGXNZPBY-MRVPVSSYSA-N 0 0 211.286 2.067 10 0 BEAERN C[C@H](O)c1cnc(CC(F)(F)F)s1 ZINC000054160837 351570679 /nfs/dbraw/zinc/57/06/79/351570679.db2.gz MVZIISAOGKEQRC-BYPYZUCNSA-N 0 0 211.208 2.301 10 0 BEAERN CSC[C@H](C)c1nc2cccnc2[nH]1 ZINC000300864895 363074865 /nfs/dbraw/zinc/07/48/65/363074865.db2.gz LBWXATWUKXWUQY-ZETCQYMHSA-N 0 0 207.302 2.424 10 0 BEAERN C[C@H]1C[C@H]1Nc1nnc(C(F)F)s1 ZINC000307327210 187492642 /nfs/dbraw/zinc/49/26/42/187492642.db2.gz ISHHLTRTZHKLOD-IUYQGCFVSA-N 0 0 205.233 2.296 10 0 BEAERN CCc1cccc2c1N[C@H](C(C)(C)OC)[C@H](O)C2 ZINC000725268445 538100611 /nfs/dbraw/zinc/10/06/11/538100611.db2.gz QXPZIEURHMSTJW-OCCSQVGLSA-N 0 0 249.354 2.372 10 0 BEAERN O[C@@H](c1cc[nH]c1)c1coc(Br)c1 ZINC000307212872 351615904 /nfs/dbraw/zinc/61/59/04/351615904.db2.gz WHCVXKSNCNKWNS-VIFPVBQESA-N 0 0 242.072 2.452 10 0 BEAERN CN1C(=S)N=NC1c1ccc2ncccc2c1 ZINC000000171319 180623022 /nfs/dbraw/zinc/62/30/22/180623022.db2.gz IFCXDXLPFAHKJP-UHFFFAOYSA-N 0 0 242.307 2.319 10 0 BEAERN CNc1c(Br)cccc1OC ZINC000307228479 351671382 /nfs/dbraw/zinc/67/13/82/351671382.db2.gz YDCAQDCQWQVAAC-UHFFFAOYSA-N 0 0 216.078 2.499 10 0 BEAERN Cc1c[nH]c(C(=O)[C@@H]2CO[C@H](C)C2)c1C ZINC000307253977 351788149 /nfs/dbraw/zinc/78/81/49/351788149.db2.gz WNKVGADXFNACNB-SCZZXKLOSA-N 0 0 207.273 2.239 10 0 BEAERN CS[C@@H]1CCN(c2nc(C(C)=O)cs2)C1 ZINC000307254270 351788765 /nfs/dbraw/zinc/78/87/65/351788765.db2.gz XIAFAZBIUZRMRM-MRVPVSSYSA-N 0 0 242.369 2.287 10 0 BEAERN CO[C@@H](C)C(=O)c1cc(F)c(F)cc1F ZINC000307251778 351772428 /nfs/dbraw/zinc/77/24/28/351772428.db2.gz OQQLRJXVMMNDGL-YFKPBYRVSA-N 0 0 218.174 2.322 10 0 BEAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@]1(C)CCCS1 ZINC000307252077 351773253 /nfs/dbraw/zinc/77/32/53/351773253.db2.gz RKDQVXFNABYSBU-INTQDDNPSA-N 0 0 213.346 2.187 10 0 BEAERN OCC1(Nc2csc(Cl)n2)CCC1 ZINC000307266269 351814462 /nfs/dbraw/zinc/81/44/62/351814462.db2.gz ZSVVECAPUPSJLB-UHFFFAOYSA-N 0 0 218.709 2.123 10 0 BEAERN C[C@@H](NC1=N[C@@H](C)CS1)C(F)(F)F ZINC000307286655 351852692 /nfs/dbraw/zinc/85/26/92/351852692.db2.gz RSVDZFPNEVTOMQ-CRCLSJGQSA-N 0 0 212.240 2.018 10 0 BEAERN CCOc1cc(C(F)(F)F)ncc1N ZINC000232136941 351853216 /nfs/dbraw/zinc/85/32/16/351853216.db2.gz LZNANGSNHPQGLI-UHFFFAOYSA-N 0 0 206.167 2.081 10 0 BEAERN Cc1nc([C@H](C)[NH3+])cn1Cc1ccccc1 ZINC000307290321 351859209 /nfs/dbraw/zinc/85/92/09/351859209.db2.gz BKVVGRBHLZQTFI-JTQLQIEISA-N 0 0 215.300 2.260 10 0 BEAERN O=C(C[C@@H]1CCCC1(F)F)c1ncc[nH]1 ZINC000307303428 351927286 /nfs/dbraw/zinc/92/72/86/351927286.db2.gz BTKAKZHTDZJZSF-ZETCQYMHSA-N 0 0 214.215 2.418 10 0 BEAERN Cc1cnc(C)c(C(=O)OC(C)(C)C)n1 ZINC000299889962 187528563 /nfs/dbraw/zinc/52/85/63/187528563.db2.gz RPAZDZMKWXHSEC-UHFFFAOYSA-N 0 0 208.261 2.049 10 0 BEAERN COC(=O)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078386 351894985 /nfs/dbraw/zinc/89/49/85/351894985.db2.gz TVUOGKGUCAVFIL-ZETCQYMHSA-N 0 0 245.681 2.303 10 0 BEAERN CC1(C[C@@]2(C(=O)[O-])CCC[NH2+]C2)CCC1 ZINC000307294136 351902882 /nfs/dbraw/zinc/90/28/82/351902882.db2.gz FTMOVDSRAUHWAN-LBPRGKRZSA-N 0 0 211.305 2.021 10 0 BEAERN CC1(C[C@]2(C(=O)[O-])CCC[NH2+]C2)CCC1 ZINC000307294135 351903039 /nfs/dbraw/zinc/90/30/39/351903039.db2.gz FTMOVDSRAUHWAN-GFCCVEGCSA-N 0 0 211.305 2.021 10 0 BEAERN Cc1cnc(C)c(NCC[C@@H]2CCCO2)n1 ZINC000083812830 351946270 /nfs/dbraw/zinc/94/62/70/351946270.db2.gz MFZYOBRIQKLPBT-NSHDSACASA-N 0 0 221.304 2.074 10 0 BEAERN C[C@@H](N1CCS[C@@H](C)C1)C(F)(F)F ZINC000307297541 351905207 /nfs/dbraw/zinc/90/52/07/351905207.db2.gz SFYPDORTSUYVCL-NKWVEPMBSA-N 0 0 213.268 2.375 10 0 BEAERN C/C(=C\Cl)CN1CCCC[C@@H]1C=O ZINC000393366723 351952013 /nfs/dbraw/zinc/95/20/13/351952013.db2.gz GACXPYKHOCBLDW-OLKPEBQYSA-N 0 0 201.697 2.182 10 0 BEAERN Cn1cc(SC[C@@](C)(O)c2ccccc2)cn1 ZINC000052098449 180663533 /nfs/dbraw/zinc/66/35/33/180663533.db2.gz YVWBHMKGWOCSOR-CYBMUJFWSA-N 0 0 248.351 2.420 10 0 BEAERN Cc1c(Cl)ccc([C@@H](C)NN)c1F ZINC000307333096 352049127 /nfs/dbraw/zinc/04/91/27/352049127.db2.gz CPKPBSILYKBUOS-ZCFIWIBFSA-N 0 0 202.660 2.312 10 0 BEAERN O=Cc1cc(F)c(F)c(OC(F)F)c1 ZINC000307324927 352020608 /nfs/dbraw/zinc/02/06/08/352020608.db2.gz FKQNTEBDGDISTB-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN Nc1c(F)cccc1C(=O)NCc1ccccc1 ZINC000054205111 352118881 /nfs/dbraw/zinc/11/88/81/352118881.db2.gz SUCCWGYYNATAAQ-UHFFFAOYSA-N 0 0 244.269 2.338 10 0 BEAERN O=Cc1ccc(OC(F)F)c(F)c1F ZINC000307342649 352091940 /nfs/dbraw/zinc/09/19/40/352091940.db2.gz VYUVSKQAZUBBIV-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN Cc1nc([C@@H]2CCSC2)c(N)s1 ZINC000224673559 363117585 /nfs/dbraw/zinc/11/75/85/363117585.db2.gz JRHLRVWBFOFSOZ-ZCFIWIBFSA-N 0 0 200.332 2.254 10 0 BEAERN CCn1ccc(Nc2ccnc(Cl)n2)n1 ZINC000300916113 363119733 /nfs/dbraw/zinc/11/97/33/363119733.db2.gz SSUXDACOONRMFZ-UHFFFAOYSA-N 0 0 223.667 2.090 10 0 BEAERN CCOC(=O)c1cccc(OC(C)(C)C)n1 ZINC000044201040 352210240 /nfs/dbraw/zinc/21/02/40/352210240.db2.gz YDFPFFXXTWXBRZ-UHFFFAOYSA-N 0 0 223.272 2.436 10 0 BEAERN Nc1nc([C@H]2CCC(F)(F)C2)ns1 ZINC000300924823 363146814 /nfs/dbraw/zinc/14/68/14/363146814.db2.gz QFCLHPRICASKMP-BYPYZUCNSA-N 0 0 205.233 2.023 10 0 BEAERN CC(F)(F)[C@@H](N)Cc1ccncc1Cl ZINC000300938033 363169642 /nfs/dbraw/zinc/16/96/42/363169642.db2.gz XJDCKDYTESYLHP-QMMMGPOBSA-N 0 0 220.650 2.260 10 0 BEAERN Cn1cc(C(F)F)c(-c2cnc(Cl)n2C)n1 ZINC000725271100 538103198 /nfs/dbraw/zinc/10/31/98/538103198.db2.gz XRLZUZIJIHFAEG-UHFFFAOYSA-N 0 0 246.648 2.412 10 0 BEAERN CN(C)[S@](C)(=O)=NC[C@H]1CCC[C@@H](F)C1 ZINC000725270999 538102929 /nfs/dbraw/zinc/10/29/29/538102929.db2.gz XJZLUCFKAGJVMF-FEUHOPSXSA-N 0 0 236.356 2.089 10 0 BEAERN COC(=O)c1cc(Cl)cc2sc(=O)[nH]c21 ZINC000044713316 352384426 /nfs/dbraw/zinc/38/44/26/352384426.db2.gz JYECDMYUXMXUEH-UHFFFAOYSA-N 0 0 243.671 2.030 10 0 BEAERN CN(C)[S@](C)(=O)=NC[C@H]1CCC[C@H](F)C1 ZINC000725270998 538103129 /nfs/dbraw/zinc/10/31/29/538103129.db2.gz XJZLUCFKAGJVMF-AMJWSMQMSA-N 0 0 236.356 2.089 10 0 BEAERN COC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC000725271355 538103163 /nfs/dbraw/zinc/10/31/63/538103163.db2.gz FFTVVRXLLMIUQV-PHIMTYICSA-N 0 0 234.299 2.225 10 0 BEAERN Cc1cc(-c2csc(=NN)[nH]2)cs1 ZINC000307373567 352472200 /nfs/dbraw/zinc/47/22/00/352472200.db2.gz SISKCRATCLMBJO-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN C[C@@H]1OCC[C@H]1Sc1ccc(C=O)cn1 ZINC000300339869 352559215 /nfs/dbraw/zinc/55/92/15/352559215.db2.gz WIIMPZDUHJUIDW-WCBMZHEXSA-N 0 0 223.297 2.164 10 0 BEAERN C[C@H](c1nnc(C2CC2)[nH]1)C(C)(F)F ZINC000307388106 352547306 /nfs/dbraw/zinc/54/73/06/352547306.db2.gz GIWGZQQBTPHWSK-RXMQYKEDSA-N 0 0 201.220 2.441 10 0 BEAERN O[C@@H](c1ccsn1)[C@H]1CCCS1 ZINC000307388388 352548386 /nfs/dbraw/zinc/54/83/86/352548386.db2.gz HEXIXJKDMJPWBA-SFYZADRCSA-N 0 0 201.316 2.072 10 0 BEAERN CC[S@@](=O)Nc1cc(C)cnc1Cl ZINC000307384184 352510817 /nfs/dbraw/zinc/51/08/17/352510817.db2.gz IFPYILYKGSTLKW-CYBMUJFWSA-N 0 0 218.709 2.139 10 0 BEAERN Cn1ccnc1SCc1cc(N)ccc1O ZINC000037285517 180754574 /nfs/dbraw/zinc/75/45/74/180754574.db2.gz HBBARMOXEYGNIJ-UHFFFAOYSA-N 0 0 235.312 2.000 10 0 BEAERN COC(=O)Cc1cc(C)c(Cl)c([N+](=O)[O-])c1 ZINC000396168603 352553870 /nfs/dbraw/zinc/55/38/70/352553870.db2.gz XEPNHRQWXVUTIF-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN C[C@@H]1COCC[C@H]1Nc1nsnc1Cl ZINC000301048451 352586128 /nfs/dbraw/zinc/58/61/28/352586128.db2.gz ZECRHCHDWZTNSF-PHDIDXHHSA-N 0 0 233.724 2.028 10 0 BEAERN N[C@H](c1cnsc1)c1ccc(Cl)o1 ZINC000404833581 352588328 /nfs/dbraw/zinc/58/83/28/352588328.db2.gz JBACMXGDNBLWTL-MRVPVSSYSA-N 0 0 214.677 2.438 10 0 BEAERN CC[S@](=O)Nc1cc(Cl)ccc1O ZINC000307418119 352591501 /nfs/dbraw/zinc/59/15/01/352591501.db2.gz LXXKROLUJCWMOZ-ZDUSSCGKSA-N 0 0 219.693 2.141 10 0 BEAERN C[C@]1([C@@H]([NH3+])c2ccsn2)CCCCO1 ZINC000307450635 352601253 /nfs/dbraw/zinc/60/12/53/352601253.db2.gz OVOHYRVKLIASJN-VHSXEESVSA-N 0 0 212.318 2.102 10 0 BEAERN Cc1ncsc1[C@@H](C)Nc1cnns1 ZINC000232290436 352606264 /nfs/dbraw/zinc/60/62/64/352606264.db2.gz KXYDBPOLLQQPRX-ZCFIWIBFSA-N 0 0 226.330 2.476 10 0 BEAERN CC(=O)N1CCC(=O)N(C(C)C)c2ccccc21 ZINC000000084315 187755241 /nfs/dbraw/zinc/75/52/41/187755241.db2.gz OUAHQRHHSGYRGL-UHFFFAOYSA-N 0 0 246.310 2.185 10 0 BEAERN CC[C@@H]1CC(=O)CN1Cc1ccccc1 ZINC000725273132 538104569 /nfs/dbraw/zinc/10/45/69/538104569.db2.gz VIXMWVQPLDPFAR-GFCCVEGCSA-N 0 0 203.285 2.240 10 0 BEAERN c1nc(-c2cn3ccccc3n2)cs1 ZINC000229109394 352572025 /nfs/dbraw/zinc/57/20/25/352572025.db2.gz NCPGMZCECSZRSR-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN NC(=S)Nc1cc(F)ccc1Br ZINC000232243663 352576934 /nfs/dbraw/zinc/57/69/34/352576934.db2.gz HPEWUKWQCONIRH-UHFFFAOYSA-N 0 0 249.108 2.244 10 0 BEAERN Fc1cc(NC[C@H]2CCC=CO2)ccn1 ZINC000307404987 352580818 /nfs/dbraw/zinc/58/08/18/352580818.db2.gz CPKKDSKIVQKDPI-SNVBAGLBSA-N 0 0 208.236 2.325 10 0 BEAERN COc1ccc(Cl)c(N[C@@H](C)CO)c1 ZINC000307534844 352640836 /nfs/dbraw/zinc/64/08/36/352640836.db2.gz JJBOPBOGZFPTJC-ZETCQYMHSA-N 0 0 215.680 2.141 10 0 BEAERN CC(=O)c1csc(-c2coc(C)n2)n1 ZINC000307538320 352643237 /nfs/dbraw/zinc/64/32/37/352643237.db2.gz RROYLYSDUJYDJJ-UHFFFAOYSA-N 0 0 208.242 2.309 10 0 BEAERN CCc1nc(-c2ncc(CO)s2)cs1 ZINC000307540293 352644352 /nfs/dbraw/zinc/64/43/52/352644352.db2.gz QZBFDBQVHGYGCE-UHFFFAOYSA-N 0 0 226.326 2.321 10 0 BEAERN Fc1c[nH]cc(Br)c1=S ZINC000307545945 352646788 /nfs/dbraw/zinc/64/67/88/352646788.db2.gz LBZVVBDAVIBQPR-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000307561051 352653701 /nfs/dbraw/zinc/65/37/01/352653701.db2.gz AGMJGYSYNWMXPG-XWEPSHTISA-N 0 0 201.697 2.434 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000036165622 187768354 /nfs/dbraw/zinc/76/83/54/187768354.db2.gz XATYSAOYJKNDNA-LDYMZIIASA-N 0 0 235.331 2.335 10 0 BEAERN COC(OC)(OC)c1cccc(Cl)c1 ZINC000044589348 352655555 /nfs/dbraw/zinc/65/55/55/352655555.db2.gz MEODDOWVHXXULG-UHFFFAOYSA-N 0 0 216.664 2.390 10 0 BEAERN C[C@H]1CC=C(Br)C12OCCO2 ZINC000039076048 187773333 /nfs/dbraw/zinc/77/33/33/187773333.db2.gz DZINRPUBDXIJNK-LURJTMIESA-N 0 0 219.078 2.048 10 0 BEAERN CC(C)(C)OC(=O)NC(C)(C)Cc1ncc[nH]1 ZINC000307595111 352665271 /nfs/dbraw/zinc/66/52/71/352665271.db2.gz JSYQMAOESFZKAE-UHFFFAOYSA-N 0 0 239.319 2.256 10 0 BEAERN COC(=O)C=CNc1ccccc1Cl ZINC000232437859 352666155 /nfs/dbraw/zinc/66/61/55/352666155.db2.gz GVVBARKXTFFNME-VOTSOKGWSA-N 0 0 211.648 2.439 10 0 BEAERN CC(C)(CO)CNc1cc(F)ccc1F ZINC000082711383 187777459 /nfs/dbraw/zinc/77/74/59/187777459.db2.gz FFVMXWAQXIXPOT-UHFFFAOYSA-N 0 0 215.243 2.395 10 0 BEAERN C[C@H](Nc1ccc2ccccc2n1)C(=O)N(C)C ZINC000042572031 352623655 /nfs/dbraw/zinc/62/36/55/352623655.db2.gz AOBKMSBUCYKVKM-JTQLQIEISA-N 0 0 243.310 2.123 10 0 BEAERN Cc1ccc(N)c(C(=O)N(C)CC2CCC2)c1 ZINC000061487286 187782769 /nfs/dbraw/zinc/78/27/69/187782769.db2.gz ROWZAUHTMLNCHK-UHFFFAOYSA-N 0 0 232.327 2.449 10 0 BEAERN CC(C)[S@@](=O)Nc1cccc(Cl)n1 ZINC000307497926 352626091 /nfs/dbraw/zinc/62/60/91/352626091.db2.gz SIKKBJXSNBIHOW-CYBMUJFWSA-N 0 0 218.709 2.219 10 0 BEAERN CC(=O)Nc1cccc(-c2cc(=O)cc[nH]2)c1 ZINC000065355903 187785996 /nfs/dbraw/zinc/78/59/96/187785996.db2.gz ZNALCDLNKXOOSP-UHFFFAOYSA-N 0 0 228.251 2.000 10 0 BEAERN Cc1c(Cl)ncnc1SC(C)(C)CO ZINC000307523042 352634395 /nfs/dbraw/zinc/63/43/95/352634395.db2.gz CVVMHKPCYJHETB-UHFFFAOYSA-N 0 0 232.736 2.301 10 0 BEAERN O=Cc1cc(F)cc(OC(F)F)c1F ZINC000307531864 352638293 /nfs/dbraw/zinc/63/82/93/352638293.db2.gz WKZNICFEVIDACA-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN O[C@H](C1=COCC1)c1ncc(Cl)s1 ZINC000307531021 352638423 /nfs/dbraw/zinc/63/84/23/352638423.db2.gz WNJCGKLOBOOMCA-SSDOTTSWSA-N 0 0 217.677 2.134 10 0 BEAERN Brc1ncccc1N[C@H]1CCOC1 ZINC000232462504 352719636 /nfs/dbraw/zinc/71/96/36/352719636.db2.gz YMUQPBWLBYGRGI-ZETCQYMHSA-N 0 0 243.104 2.045 10 0 BEAERN COC(=O)Nc1ccc(Br)c(O)c1 ZINC000307629547 352711780 /nfs/dbraw/zinc/71/17/80/352711780.db2.gz NGQMFRNTKIBUNH-UHFFFAOYSA-N 0 0 246.060 2.333 10 0 BEAERN CSc1ccc(C(=O)N2CCCO2)cc1 ZINC000125358396 187839696 /nfs/dbraw/zinc/83/96/96/187839696.db2.gz RPYQCRXFHOPFDM-UHFFFAOYSA-N 0 0 223.297 2.186 10 0 BEAERN COC1(Cn2cc[nH]c2=S)CCCC1 ZINC000307676663 352756509 /nfs/dbraw/zinc/75/65/09/352756509.db2.gz JBZMOXOSPRPBJK-UHFFFAOYSA-N 0 0 212.318 2.131 10 0 BEAERN Cn1nc(-c2ccccc2)n(C)c1=S ZINC000006072293 180799901 /nfs/dbraw/zinc/79/99/01/180799901.db2.gz QZFJGKZOYQXOOE-UHFFFAOYSA-N 0 0 205.286 2.155 10 0 BEAERN Brc1cnc(N[C@@H]2CCOC2)s1 ZINC000307683919 352860232 /nfs/dbraw/zinc/86/02/32/352860232.db2.gz VDVNYNBLNUMAAK-RXMQYKEDSA-N 0 0 249.133 2.106 10 0 BEAERN OCCSc1nc(Cl)nc2ccccc21 ZINC000052811970 352989512 /nfs/dbraw/zinc/98/95/12/352989512.db2.gz WTSGWOYLJNNHHI-UHFFFAOYSA-N 0 0 240.715 2.368 10 0 BEAERN Cn1ncc(Cl)c1[C@@H](O)c1ccccc1F ZINC000075872766 180818362 /nfs/dbraw/zinc/81/83/62/180818362.db2.gz JVPHAOOSZRNXEZ-NSHDSACASA-N 0 0 240.665 2.294 10 0 BEAERN N[C@H](c1ncc[nH]1)c1ccsc1Cl ZINC000306472377 353017251 /nfs/dbraw/zinc/01/72/51/353017251.db2.gz STJUVYRZHMPUJY-LURJTMIESA-N 0 0 213.693 2.173 10 0 BEAERN CCNC1(c2nc(C)c(C)s2)CSC1 ZINC000306593272 353028603 /nfs/dbraw/zinc/02/86/03/353028603.db2.gz WWRWJAJJMJPRFH-UHFFFAOYSA-N 0 0 228.386 2.312 10 0 BEAERN OC[C@H](NO)c1cccc(Cl)c1Cl ZINC000306652483 353032340 /nfs/dbraw/zinc/03/23/40/353032340.db2.gz UBNWNBYVMIMFNN-ZETCQYMHSA-N 0 0 222.071 2.006 10 0 BEAERN Cn1ncc2c1Oc1ccccc1NC2 ZINC000083283737 180827456 /nfs/dbraw/zinc/82/74/56/180827456.db2.gz LPDASUCCVWHDGR-UHFFFAOYSA-N 0 0 201.229 2.138 10 0 BEAERN O=C(c1cscn1)C(F)(F)C(F)F ZINC000306295782 353002951 /nfs/dbraw/zinc/00/29/51/353002951.db2.gz CHJNTMIUSWSMKN-UHFFFAOYSA-N 0 0 213.155 2.226 10 0 BEAERN Cc1csc(N[C@H](C)C(C)(C)O)n1 ZINC000306717391 353035934 /nfs/dbraw/zinc/03/59/34/353035934.db2.gz HQMZABORPSXPKU-SSDOTTSWSA-N 0 0 200.307 2.023 10 0 BEAERN C[C@@H]1SCC[C@H]1Nc1ncc(N)s1 ZINC000306378470 353008290 /nfs/dbraw/zinc/00/82/90/353008290.db2.gz GYTOMMBPRABRDX-NTSWFWBYSA-N 0 0 215.347 2.031 10 0 BEAERN CCOC(=O)Nc1ccnc(Br)c1 ZINC000306709476 353036189 /nfs/dbraw/zinc/03/61/89/353036189.db2.gz RFACXMFSNWNGIK-UHFFFAOYSA-N 0 0 245.076 2.413 10 0 BEAERN Nc1nc(Br)ccc1C(F)(F)F ZINC000307382481 353072213 /nfs/dbraw/zinc/07/22/13/353072213.db2.gz HNCNPITYRLTRGC-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN Cc1ccc(F)nc1I ZINC000306914763 353045116 /nfs/dbraw/zinc/04/51/16/353045116.db2.gz SJQJWELAFWFBFR-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN N#CNc1ccc(I)cc1 ZINC000052832284 353108408 /nfs/dbraw/zinc/10/84/08/353108408.db2.gz HPULLYOFQKQAQR-UHFFFAOYSA-N 0 0 244.035 2.184 10 0 BEAERN N#CNCc1cccc(Br)c1 ZINC000052832647 353108680 /nfs/dbraw/zinc/10/86/80/353108680.db2.gz BCTUTTVRMZYNGN-UHFFFAOYSA-N 0 0 211.062 2.020 10 0 BEAERN N[C@@H](c1cnns1)c1ccccc1Cl ZINC000160031885 353110497 /nfs/dbraw/zinc/11/04/97/353110497.db2.gz ADTLQJKRZVKYCR-SECBINFHSA-N 0 0 225.704 2.240 10 0 BEAERN Nc1ccc(SCC2CCCC2)nn1 ZINC000160024040 353080395 /nfs/dbraw/zinc/08/03/95/353080395.db2.gz SRPRKMVGXQPZPF-UHFFFAOYSA-N 0 0 209.318 2.341 10 0 BEAERN CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000123670439 168695315 /nfs/dbraw/zinc/69/53/15/168695315.db2.gz UUBGMAFWYSHEGS-GHMZBOCLSA-N 0 0 221.300 2.128 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccncn2)C1 ZINC000307740724 353121875 /nfs/dbraw/zinc/12/18/75/353121875.db2.gz OXDDYDYQPWGAON-SNVBAGLBSA-N 0 0 249.314 2.201 10 0 BEAERN CC(C)c1ccn(-c2nccnc2Cl)n1 ZINC000052884959 353127333 /nfs/dbraw/zinc/12/73/33/353127333.db2.gz MCXTWAXDTZCHIB-UHFFFAOYSA-N 0 0 222.679 2.439 10 0 BEAERN CC(C)(O)C(=O)C[C@@H]1Cc2ccccc21 ZINC000232554502 353128108 /nfs/dbraw/zinc/12/81/08/353128108.db2.gz IWJNPQIBEQSJBM-JTQLQIEISA-N 0 0 204.269 2.056 10 0 BEAERN CC(C)(C)C(=O)Nc1cc(Cl)ncn1 ZINC000232560244 353130013 /nfs/dbraw/zinc/13/00/13/353130013.db2.gz RTEWVOYLJZAYMR-UHFFFAOYSA-N 0 0 213.668 2.115 10 0 BEAERN Cc1sc([C@H]2CCSC2)nc1N ZINC000405146618 353131922 /nfs/dbraw/zinc/13/19/22/353131922.db2.gz YCIRLEVNHYZBNY-LURJTMIESA-N 0 0 200.332 2.254 10 0 BEAERN CC(C)(O)C(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000232576105 353136400 /nfs/dbraw/zinc/13/64/00/353136400.db2.gz LKIGHEOAZWOQQK-GHMZBOCLSA-N 0 0 204.269 2.130 10 0 BEAERN CCC(=O)c1ccnn1-c1ccccc1 ZINC000229431224 353159002 /nfs/dbraw/zinc/15/90/02/353159002.db2.gz GRJXJYKTYJOXEJ-UHFFFAOYSA-N 0 0 200.241 2.465 10 0 BEAERN CCOC(=O)/C=C\c1ccc(OC)c(F)c1 ZINC000199862388 188086302 /nfs/dbraw/zinc/08/63/02/188086302.db2.gz BWWRXUXZXLJKRC-ALCCZGGFSA-N 0 0 224.231 2.411 10 0 BEAERN Cc1ccccc1[C@H]1CC[C@@H](CO)OC1 ZINC000536957348 323967821 /nfs/dbraw/zinc/96/78/21/323967821.db2.gz FSBKMGPWYDSAKL-RYUDHWBXSA-N 0 0 206.285 2.250 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000002541652 188100826 /nfs/dbraw/zinc/10/08/26/188100826.db2.gz XUFBETUUQRMWRY-ZJUUUORDSA-N 0 0 229.320 2.062 10 0 BEAERN CC(C)(C)c1noc([C@H](N)C(C)(C)C)n1 ZINC000035411494 188103190 /nfs/dbraw/zinc/10/31/90/188103190.db2.gz CUIXSMLNKOWVST-ZETCQYMHSA-N 0 0 211.309 2.413 10 0 BEAERN C/C=C/C(=O)Nc1ccccc1C(=O)OCC ZINC000008253105 188104314 /nfs/dbraw/zinc/10/43/14/188104314.db2.gz UGSSXVKYEUCWHE-XVNBXDOJSA-N 0 0 233.267 2.378 10 0 BEAERN Nc1cccnc1NCc1ccccc1F ZINC000020278707 188108828 /nfs/dbraw/zinc/10/88/28/188108828.db2.gz XFEBXIDBOICLFC-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN CC(C)NC(=O)[C@H](C)Nc1ccc(F)cc1 ZINC000020304419 188108850 /nfs/dbraw/zinc/10/88/50/188108850.db2.gz VCORYCPTDWRCTG-VIFPVBQESA-N 0 0 224.279 2.151 10 0 BEAERN COc1ccc([C@H](O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000021990541 188109481 /nfs/dbraw/zinc/10/94/81/188109481.db2.gz RYWCCTNSLWPELM-ICCXJUOJSA-N 0 0 222.284 2.296 10 0 BEAERN C=COC(=O)C(F)(F)C(F)(Cl)Cl ZINC000033606809 188111154 /nfs/dbraw/zinc/11/11/54/188111154.db2.gz VSKVRMXJKAFPSG-UHFFFAOYSA-N 0 0 222.977 2.409 10 0 BEAERN CC(C)CC(=O)N(C)Cc1cccc(N)c1 ZINC000035359827 188111750 /nfs/dbraw/zinc/11/17/50/188111750.db2.gz JJEDKRSFKHRUBY-UHFFFAOYSA-N 0 0 220.316 2.273 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)NCC1CCCCC1 ZINC000036163913 188112830 /nfs/dbraw/zinc/11/28/30/188112830.db2.gz JUVIQTHCVCQJPG-UHFFFAOYSA-N 0 0 235.331 2.337 10 0 BEAERN CC(C)C[C@@H](C)NC(=O)c1sccc1N ZINC000040303115 188112887 /nfs/dbraw/zinc/11/28/87/188112887.db2.gz CRULXHPTUHGOJF-MRVPVSSYSA-N 0 0 226.345 2.495 10 0 BEAERN NC(=S)c1ccc(O)cc1C(F)(F)F ZINC000036949561 188113168 /nfs/dbraw/zinc/11/31/68/188113168.db2.gz IGJUPBOGGMFYRX-UHFFFAOYSA-N 0 0 221.203 2.045 10 0 BEAERN CCN(C)c1ccc(N)c(OC(C)(C)C)n1 ZINC000037078283 188113206 /nfs/dbraw/zinc/11/32/06/188113206.db2.gz UPCXMZHREHQDPG-UHFFFAOYSA-N 0 0 223.320 2.297 10 0 BEAERN CC(C)(C)c1nn(-c2ccccn2)cc1C=O ZINC000036894289 188113453 /nfs/dbraw/zinc/11/34/53/188113453.db2.gz JTGVFGXJIUBMMR-UHFFFAOYSA-N 0 0 229.283 2.377 10 0 BEAERN CC(C)(O)CSc1ccc(F)cc1N ZINC000037692451 188113807 /nfs/dbraw/zinc/11/38/07/188113807.db2.gz LNXUKBBRRMUHHU-UHFFFAOYSA-N 0 0 215.293 2.271 10 0 BEAERN COc1ccc(CNc2cn[nH]c2)cc1F ZINC000037758054 188114636 /nfs/dbraw/zinc/11/46/36/188114636.db2.gz JMDZMRWFNUFIPD-UHFFFAOYSA-N 0 0 221.235 2.170 10 0 BEAERN OCc1cccnc1-c1ccc(Cl)cn1 ZINC000072204265 188114718 /nfs/dbraw/zinc/11/47/18/188114718.db2.gz OJLDMBXXKNKCAB-UHFFFAOYSA-N 0 0 220.659 2.289 10 0 BEAERN COc1ccc([C@@](C)(O)c2cccnc2)cc1 ZINC000037761296 188114742 /nfs/dbraw/zinc/11/47/42/188114742.db2.gz FRKKHSDLDLXPDQ-CQSZACIVSA-N 0 0 229.279 2.346 10 0 BEAERN Cc1ccc(NCCC(=O)N(C)C)cc1F ZINC000037897858 188114914 /nfs/dbraw/zinc/11/49/14/188114914.db2.gz XYIPZXGBBQURIZ-UHFFFAOYSA-N 0 0 224.279 2.024 10 0 BEAERN CC(=O)N(C)Cc1c[nH]c2ccccc12 ZINC000074854628 188115221 /nfs/dbraw/zinc/11/52/21/188115221.db2.gz BUAQUCCXNAVSAG-UHFFFAOYSA-N 0 0 202.257 2.146 10 0 BEAERN Cc1nn(C(C)C)c(C)c1CC(=O)n1ccnc1 ZINC000073711922 188115351 /nfs/dbraw/zinc/11/53/51/188115351.db2.gz YNLCFUGVAAHOQO-UHFFFAOYSA-N 0 0 246.314 2.160 10 0 BEAERN CC(C)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000037965468 188115708 /nfs/dbraw/zinc/11/57/08/188115708.db2.gz PLCORHKZQUXSSO-LLVKDONJSA-N 0 0 243.253 2.336 10 0 BEAERN FC(c1nc(-c2ncon2)no1)=C1CCCC1 ZINC000328825401 180877420 /nfs/dbraw/zinc/87/74/20/180877420.db2.gz HLEDKMFWDPYJMR-UHFFFAOYSA-N 0 0 236.206 2.374 10 0 BEAERN CNc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040706978 188118207 /nfs/dbraw/zinc/11/82/07/188118207.db2.gz UMKXXKBMXMNGPZ-UHFFFAOYSA-N 0 0 249.705 2.498 10 0 BEAERN CC(C)(C)[C@H](CC(=O)[O-])[NH+]1CCCCC1 ZINC000080683010 188118644 /nfs/dbraw/zinc/11/86/44/188118644.db2.gz DRCQOBGACNHSBL-JTQLQIEISA-N 0 0 213.321 2.362 10 0 BEAERN COC(OC)[C@@H]1CCc2sccc2C1=O ZINC000122004155 538110346 /nfs/dbraw/zinc/11/03/46/538110346.db2.gz VCYZBZMJCAYIET-MRVPVSSYSA-N 0 0 226.297 2.112 10 0 BEAERN Nc1ccc(SCc2cccnc2)cn1 ZINC000037192622 188105870 /nfs/dbraw/zinc/10/58/70/188105870.db2.gz XHVYZJMBBWALHU-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN CCOC(=O)c1ccnc(CC(C)(C)C)n1 ZINC000300751279 538111002 /nfs/dbraw/zinc/11/10/02/538111002.db2.gz RMVVBBLGZMHVJA-UHFFFAOYSA-N 0 0 222.288 2.242 10 0 BEAERN CC(C)(C)c1[nH]nc2c1ncnc2Cl ZINC000089211949 188144240 /nfs/dbraw/zinc/14/42/40/188144240.db2.gz YIGFOQPIXCLBMB-UHFFFAOYSA-N 0 0 210.668 2.304 10 0 BEAERN CC(C)C[S@](=O)c1nc2cc(N)ccc2o1 ZINC000044379066 188123431 /nfs/dbraw/zinc/12/34/31/188123431.db2.gz GPTLTMYWHFFCKI-MRXNPFEDSA-N 0 0 238.312 2.174 10 0 BEAERN CC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000049318425 188124809 /nfs/dbraw/zinc/12/48/09/188124809.db2.gz KRBFDAJEHWYCQQ-NSHDSACASA-N 0 0 209.676 2.463 10 0 BEAERN Cc1ccc(C)c(NC(=O)CC[C@H](C)O)c1 ZINC000049818397 188125738 /nfs/dbraw/zinc/12/57/38/188125738.db2.gz CIDQOYSGAFBUJJ-NSHDSACASA-N 0 0 221.300 2.403 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc(N)c(F)c1 ZINC000054405371 188126696 /nfs/dbraw/zinc/12/66/96/188126696.db2.gz WWEIGOQLGSQPPN-QMMMGPOBSA-N 0 0 224.279 2.182 10 0 BEAERN CC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000057496601 188127043 /nfs/dbraw/zinc/12/70/43/188127043.db2.gz KALNQSCPFRHVTG-UHFFFAOYSA-N 0 0 211.648 2.176 10 0 BEAERN Cc1cccc([C@@H](O)c2cn[nH]c2)c1C ZINC000309106894 538110481 /nfs/dbraw/zinc/11/04/81/538110481.db2.gz MSDWKNJBQMDBQY-LBPRGKRZSA-N 0 0 202.257 2.108 10 0 BEAERN COc1cccc(CC(=O)C2CCOCC2)c1 ZINC000061672586 188128155 /nfs/dbraw/zinc/12/81/55/188128155.db2.gz MAPXVJCQRZQKLW-UHFFFAOYSA-N 0 0 234.295 2.233 10 0 BEAERN CC(C)N(CC1CC1)c1ncnc(Cl)c1N ZINC000062363810 188128805 /nfs/dbraw/zinc/12/88/05/188128805.db2.gz CWBRNUDWRPPQJO-UHFFFAOYSA-N 0 0 240.738 2.337 10 0 BEAERN CC(=O)c1c2ccccc2n2c1CCN(C)C2 ZINC000072416130 188131901 /nfs/dbraw/zinc/13/19/01/188131901.db2.gz XROOSSRZSAEXOL-UHFFFAOYSA-N 0 0 228.295 2.289 10 0 BEAERN CCCC(O)=C1C(=O)C(C)(C)OC1(C)C ZINC000122141754 538110690 /nfs/dbraw/zinc/11/06/90/538110690.db2.gz GEVIEQUUBAWHES-SECBINFHSA-N 0 0 212.289 2.128 10 0 BEAERN CC(C)[C@@](C(=O)[O-])(c1ccccc1)[NH+](C)C ZINC000041851738 188150906 /nfs/dbraw/zinc/15/09/06/188150906.db2.gz DOOZICAYECVWMV-ZDUSSCGKSA-N 0 0 221.300 2.184 10 0 BEAERN CC(C)N(Cc1nnnn1C(C)C)C1CCC1 ZINC000119777360 188152441 /nfs/dbraw/zinc/15/24/41/188152441.db2.gz ZFGVCZVNFGJNLQ-UHFFFAOYSA-N 0 0 237.351 2.017 10 0 BEAERN C/C=C/C[N@@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592169 188152647 /nfs/dbraw/zinc/15/26/47/188152647.db2.gz RSADWTYZYFSAMG-KXMPLOMGSA-N 0 0 237.324 2.308 10 0 BEAERN FC(F)(F)[C@]1(c2cccnc2)CCCN1 ZINC000091692098 180891294 /nfs/dbraw/zinc/89/12/94/180891294.db2.gz MPJCLGOVNFOSDV-SECBINFHSA-N 0 0 216.206 2.223 10 0 BEAERN C/C=C/CCNc1cc(Cl)nc(N)n1 ZINC000227010778 188155631 /nfs/dbraw/zinc/15/56/31/188155631.db2.gz DOBZMEGFEFPFGO-NSCUHMNNSA-N 0 0 212.684 2.090 10 0 BEAERN CSc1ccc(NCc2ccccn2)nn1 ZINC000301283459 188160491 /nfs/dbraw/zinc/16/04/91/188160491.db2.gz QTAOKBPJMORQCK-UHFFFAOYSA-N 0 0 232.312 2.206 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)CCC1CCCC1 ZINC000305065720 188161508 /nfs/dbraw/zinc/16/15/08/188161508.db2.gz LWPFLVBZIXGVLB-GFCCVEGCSA-N 0 0 241.375 2.480 10 0 BEAERN CCOC(=O)c1ccnc([C@@H]2CCCS2)n1 ZINC000300723640 538111657 /nfs/dbraw/zinc/11/16/57/538111657.db2.gz DTVPGVRARYEGHU-VIFPVBQESA-N 0 0 238.312 2.221 10 0 BEAERN COc1ccc2[nH]c(C)c(CCO)c2c1 ZINC000015445925 188169657 /nfs/dbraw/zinc/16/96/57/188169657.db2.gz VVIGWEDFRYYXJJ-UHFFFAOYSA-N 0 0 205.257 2.020 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000190607261 188173119 /nfs/dbraw/zinc/17/31/19/188173119.db2.gz CJVQMZMXDYCBJW-PWSUYJOCSA-N 0 0 237.299 2.053 10 0 BEAERN CC(C)(C)Oc1cc(N)c(OC2CC2)cn1 ZINC000095721434 188147049 /nfs/dbraw/zinc/14/70/49/188147049.db2.gz HFCJKTIEMKMIOR-UHFFFAOYSA-N 0 0 222.288 2.382 10 0 BEAERN CNc1cncc(OC2CC2)c1OC(C)C ZINC000095730047 188147275 /nfs/dbraw/zinc/14/72/75/188147275.db2.gz SUDFMKQCRGKXRC-UHFFFAOYSA-N 0 0 222.288 2.452 10 0 BEAERN Fc1ncnc2ncn(Cc3ccccc3)c21 ZINC000095929541 188147959 /nfs/dbraw/zinc/14/79/59/188147959.db2.gz IHGLFBAXMWGJOZ-UHFFFAOYSA-N 0 0 228.230 2.014 10 0 BEAERN CCCC[C@@H]1COC[C@H](C)[C@H]1OC(C)=O ZINC000100208584 188149596 /nfs/dbraw/zinc/14/95/96/188149596.db2.gz XWNKVSFNBVIKJB-MVWJERBFSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H](C)O ZINC000100096856 188149661 /nfs/dbraw/zinc/14/96/61/188149661.db2.gz UJNOLBSYLSYIBM-NNYUYHANSA-N 0 0 228.332 2.371 10 0 BEAERN Nc1cccnc1N1CCCCCCC1 ZINC000020264899 188176135 /nfs/dbraw/zinc/17/61/35/188176135.db2.gz DGJOKENCBNBLIZ-UHFFFAOYSA-N 0 0 205.305 2.434 10 0 BEAERN Cc1nc(N)nc(-c2ccc(F)cc2Cl)n1 ZINC000082664132 188178579 /nfs/dbraw/zinc/17/85/79/188178579.db2.gz SWVKDKQCVFPVBE-UHFFFAOYSA-N 0 0 238.653 2.222 10 0 BEAERN CC(C)[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000021517442 188179020 /nfs/dbraw/zinc/17/90/20/188179020.db2.gz KGSPSTLKEKPUKZ-LLVKDONJSA-N 0 0 207.273 2.153 10 0 BEAERN CC(C)(CO)CNc1ncnc2c1CCCCC2 ZINC000134426079 538112229 /nfs/dbraw/zinc/11/22/29/538112229.db2.gz UBYDYMGQAZQJHD-UHFFFAOYSA-N 0 0 249.358 2.176 10 0 BEAERN CC(=O)Nc1cccc2c1CC(C)(C)O2 ZINC000032189766 188181883 /nfs/dbraw/zinc/18/18/83/188181883.db2.gz DHOVTANQTHZWEX-UHFFFAOYSA-N 0 0 205.257 2.359 10 0 BEAERN C[C@H](Nc1ccc(Cl)cc1)C(=O)N(C)C ZINC000058342097 188183376 /nfs/dbraw/zinc/18/33/76/188183376.db2.gz ZELZJSUYNBDXEO-QMMMGPOBSA-N 0 0 226.707 2.229 10 0 BEAERN C[N@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062753164 188185181 /nfs/dbraw/zinc/18/51/81/188185181.db2.gz BBSCOPHVYDPHFO-NWDGAFQWSA-N 0 0 225.332 2.362 10 0 BEAERN O=C(C[C@H]1CCCCO1)c1cccnc1 ZINC000127992344 353279395 /nfs/dbraw/zinc/27/93/95/353279395.db2.gz WIVMLMPLZJNTBQ-LLVKDONJSA-N 0 0 205.257 2.224 10 0 BEAERN COC(=O)Nc1c(F)ccc(C)c1F ZINC000127656216 353274656 /nfs/dbraw/zinc/27/46/56/353274656.db2.gz UEFXEZLNYGMXFD-UHFFFAOYSA-N 0 0 201.172 2.452 10 0 BEAERN FC1(F)CC(c2nc([C@@H]3CCCO3)no2)C1 ZINC000336414139 180915266 /nfs/dbraw/zinc/91/52/66/180915266.db2.gz JKBYXTOPJFYOTI-ZETCQYMHSA-N 0 0 230.214 2.434 10 0 BEAERN Cc1cc(C)nc(N[C@@H]2CCCC[C@H]2CO)n1 ZINC000225875088 538114521 /nfs/dbraw/zinc/11/45/21/538114521.db2.gz GLDURNFKYDETLK-NWDGAFQWSA-N 0 0 235.331 2.056 10 0 BEAERN C/C=C/CCNc1nccn(CC(C)C)c1=O ZINC000094159616 188222707 /nfs/dbraw/zinc/22/27/07/188222707.db2.gz SMOXOEFSWWBLBA-SNAWJCMRSA-N 0 0 235.331 2.277 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@H]2CCC(=O)NC2)n1 ZINC000329592873 188226537 /nfs/dbraw/zinc/22/65/37/188226537.db2.gz UMEMEGPCTUAVCT-YUMQZZPRSA-N 0 0 235.287 2.417 10 0 BEAERN CCc1c(Cl)nc2nc(C)nn2c1Cl ZINC000129053206 353308431 /nfs/dbraw/zinc/30/84/31/353308431.db2.gz ZMXPGNDUCDSRPE-UHFFFAOYSA-N 0 0 231.086 2.302 10 0 BEAERN Cc1nc([C@](C)(N)C(F)(F)F)cs1 ZINC000165325355 353302080 /nfs/dbraw/zinc/30/20/80/353302080.db2.gz URTLAHAQHSMIDP-LURJTMIESA-N 0 0 210.224 2.188 10 0 BEAERN Cc1cc(C)nc(N[C@H]2CCCC[C@H]2CO)n1 ZINC000225875106 538114549 /nfs/dbraw/zinc/11/45/49/538114549.db2.gz GLDURNFKYDETLK-RYUDHWBXSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(C)nc(N[C@H]2CCCC[C@@H]2CO)n1 ZINC000225875077 538114578 /nfs/dbraw/zinc/11/45/78/538114578.db2.gz GLDURNFKYDETLK-NEPJUHHUSA-N 0 0 235.331 2.056 10 0 BEAERN C[C@@H]1Oc2c(ccc(Cl)c2F)[C@H]1O ZINC000130738389 353359420 /nfs/dbraw/zinc/35/94/20/353359420.db2.gz GZDAFVMCUVCBHP-NVNXEXLPSA-N 0 0 202.612 2.293 10 0 BEAERN CCn1ccnc1C(=O)[C@]1(C)CCCS1 ZINC000160161093 353359593 /nfs/dbraw/zinc/35/95/93/353359593.db2.gz TUNFJOCDLWTFBD-NSHDSACASA-N 0 0 224.329 2.371 10 0 BEAERN Clc1cnc([C@@H]2NCCS2)s1 ZINC000223218812 353360278 /nfs/dbraw/zinc/36/02/78/353360278.db2.gz XYEJTUODSMHHSP-RXMQYKEDSA-N 0 0 206.723 2.132 10 0 BEAERN O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1C1CCC1 ZINC000165501735 353373969 /nfs/dbraw/zinc/37/39/69/353373969.db2.gz YEVXHDHKJZRXOG-WCQGTBRESA-N 0 0 248.326 2.134 10 0 BEAERN CC(C)[C@H](C)Sc1ccc(N)c(N)n1 ZINC000232761310 353384667 /nfs/dbraw/zinc/38/46/67/353384667.db2.gz FAQDXLMVGVHUTJ-ZETCQYMHSA-N 0 0 211.334 2.383 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CCCCO1 ZINC000123273114 324104862 /nfs/dbraw/zinc/10/48/62/324104862.db2.gz INSKGUHQCKGYSQ-JTQLQIEISA-N 0 0 213.321 2.250 10 0 BEAERN CC(C)COc1nc(Cl)nc2[nH]cnc21 ZINC000160181041 353401445 /nfs/dbraw/zinc/40/14/45/353401445.db2.gz ZDYUMEPKPSNHOV-UHFFFAOYSA-N 0 0 226.667 2.041 10 0 BEAERN CC(C)CC[C@](C)(O)CNC(=O)N(C)C(C)C ZINC000190783174 353416047 /nfs/dbraw/zinc/41/60/47/353416047.db2.gz UTXUWDQQSRSOAX-ZDUSSCGKSA-N 0 0 244.379 2.223 10 0 BEAERN Fc1ccc(CNc2cccnn2)cc1F ZINC000052831252 180969940 /nfs/dbraw/zinc/96/99/40/180969940.db2.gz XERNYQYUGDXNGU-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN CSc1ccc(N2CC[C@H](C)[C@H]2C)nn1 ZINC000301492088 188415589 /nfs/dbraw/zinc/41/55/89/188415589.db2.gz OXHFDQWRIFPRKX-DTWKUNHWSA-N 0 0 223.345 2.433 10 0 BEAERN CC1CC([N@@H+]2CCCC[C@]2(C)C(=O)[O-])C1 ZINC000232815675 353582924 /nfs/dbraw/zinc/58/29/24/353582924.db2.gz NYDDPPXKUMAJPZ-RTYFJBAXSA-N 0 0 211.305 2.114 10 0 BEAERN CC1([NH2+][C@H]2CC[C@@H]2C(=O)[O-])CCCCC1 ZINC000232811853 353572654 /nfs/dbraw/zinc/57/26/54/353572654.db2.gz PZDJFNDHSQRQNR-UWVGGRQHSA-N 0 0 211.305 2.162 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nnnn1-c1ccccc1 ZINC000231663234 353641241 /nfs/dbraw/zinc/64/12/41/353641241.db2.gz KUKYZQDYBFYBHE-ZYHUDNBSSA-N 0 0 243.314 2.263 10 0 BEAERN CC(=O)Nc1cccc2c1CC[C@@H](C)N2 ZINC000039410071 188466078 /nfs/dbraw/zinc/46/60/78/188466078.db2.gz KSKRRWDDFULOOO-MRVPVSSYSA-N 0 0 204.273 2.392 10 0 BEAERN CC1N=NC(=N)S[C@@H]1Cc1ccccc1 ZINC000039110076 188474179 /nfs/dbraw/zinc/47/41/79/188474179.db2.gz OMWBIQYFTKYQDS-SNVBAGLBSA-N 0 0 219.313 2.035 10 0 BEAERN C[C@@H]1COCC[C@H]1c1nc(Cl)ns1 ZINC000300979529 363247683 /nfs/dbraw/zinc/24/76/83/363247683.db2.gz HZMYBLDZSVQISQ-PHDIDXHHSA-N 0 0 218.709 2.332 10 0 BEAERN CC(C)N(C)C(=O)c1cc(N)cn1C(C)C ZINC000036861023 188467814 /nfs/dbraw/zinc/46/78/14/188467814.db2.gz PJIJQHARNAQKOJ-UHFFFAOYSA-N 0 0 223.320 2.132 10 0 BEAERN CC(C)(O)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000300972907 363244501 /nfs/dbraw/zinc/24/45/01/363244501.db2.gz QZIOFHPXDLPILH-SSDOTTSWSA-N 0 0 206.232 2.152 10 0 BEAERN CC(C)(C)[C@H](O)Cn1cc(Br)cn1 ZINC000072219945 188470865 /nfs/dbraw/zinc/47/08/65/188470865.db2.gz YFUCZBSRFZJZGN-MRVPVSSYSA-N 0 0 247.136 2.053 10 0 BEAERN Cc1nn2cc(-c3ccc[nH]3)nc2s1 ZINC000232279799 353710401 /nfs/dbraw/zinc/71/04/01/353710401.db2.gz DIYQONSXPOWDIP-UHFFFAOYSA-N 0 0 204.258 2.094 10 0 BEAERN Fc1cccc(Cl)c1[C@H]1COCCN1 ZINC000058432031 181000671 /nfs/dbraw/zinc/00/06/71/181000671.db2.gz RJWGYTVFBRHDJD-SECBINFHSA-N 0 0 215.655 2.140 10 0 BEAERN Fc1cccc(F)c1NC[C@@H]1CCOC1 ZINC000034957555 181001181 /nfs/dbraw/zinc/00/11/81/181001181.db2.gz BMSFYLRJYZMNOG-QMMMGPOBSA-N 0 0 213.227 2.413 10 0 BEAERN Fc1cccc(F)c1NCc1cncnc1 ZINC000054767203 181001268 /nfs/dbraw/zinc/00/12/68/181001268.db2.gz LXIYUKRTHQVKHS-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN CC(=O)Nc1ccccc1OCCCCCO ZINC000051020468 188482633 /nfs/dbraw/zinc/48/26/33/188482633.db2.gz KDMBKESOLDYIQQ-UHFFFAOYSA-N 0 0 237.299 2.186 10 0 BEAERN CC(C)Sc1ncnc(N)c1Cl ZINC000232681839 353749529 /nfs/dbraw/zinc/74/95/29/353749529.db2.gz WZPCLPKEJFDIJQ-UHFFFAOYSA-N 0 0 203.698 2.213 10 0 BEAERN CC(C)[C@@H](O)Cc1nc([C@H]2CC2(C)C)no1 ZINC000232697584 353750391 /nfs/dbraw/zinc/75/03/91/353750391.db2.gz ZJKUMHQWULBPTB-BDAKNGLRSA-N 0 0 224.304 2.143 10 0 BEAERN Fc1ccccc1CNc1cnns1 ZINC000083345699 181013495 /nfs/dbraw/zinc/01/34/95/181013495.db2.gz MRPYPXIEXRDHIT-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN CC(C)(C)S(=O)(=O)Nc1cnccc1Cl ZINC000232712666 353759999 /nfs/dbraw/zinc/75/99/99/353759999.db2.gz APDFHHHOJFCMTA-UHFFFAOYSA-N 0 0 248.735 2.275 10 0 BEAERN CC1CC(n2ncc(Br)c2N)C1 ZINC000232877926 353771968 /nfs/dbraw/zinc/77/19/68/353771968.db2.gz RPKCUVRBUFJASN-UHFFFAOYSA-N 0 0 230.109 2.199 10 0 BEAERN CCOC(=O)CSCc1cccc(O)c1C ZINC000098203631 188502615 /nfs/dbraw/zinc/50/26/15/188502615.db2.gz YPNOPCKPINIJHE-UHFFFAOYSA-N 0 0 240.324 2.497 10 0 BEAERN Cc1cc(Cl)nc(Cc2cccnc2)n1 ZINC000053130071 353747198 /nfs/dbraw/zinc/74/71/98/353747198.db2.gz RIPZYVUBRQQFMF-UHFFFAOYSA-N 0 0 219.675 2.424 10 0 BEAERN Fc1ccccc1[C@H]1Cc2nccn2C1 ZINC000040401870 181015319 /nfs/dbraw/zinc/01/53/19/181015319.db2.gz BVXHLVHSYQUGBZ-VIFPVBQESA-N 0 0 202.232 2.362 10 0 BEAERN CCCc1c(N)n[nH]c1-c1cncs1 ZINC000233397623 353817178 /nfs/dbraw/zinc/81/71/78/353817178.db2.gz CYMFZBBBLCNOFJ-UHFFFAOYSA-N 0 0 208.290 2.068 10 0 BEAERN CC1(C)C[C@@H]1c1nc(Br)no1 ZINC000232860907 353874424 /nfs/dbraw/zinc/87/44/24/353874424.db2.gz ZFEFPWTUAJVOLX-SCSAIBSYSA-N 0 0 217.066 2.346 10 0 BEAERN CC(C)[C@@H]1CCC[C@@](C[NH3+])(CC(=O)[O-])C1 ZINC000013779546 188525079 /nfs/dbraw/zinc/52/50/79/188525079.db2.gz HVHNZWFGLGKSIC-PWSUYJOCSA-N 0 0 213.321 2.252 10 0 BEAERN C(=Cc1ncnc2[nH]cnc21)c1ccco1 ZINC000013836904 188525192 /nfs/dbraw/zinc/52/51/92/188525192.db2.gz TXAODLAQKAJQMW-ONEGZZNKSA-N 0 0 212.212 2.116 10 0 BEAERN CCC(C)(C)CC(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000334526877 353900506 /nfs/dbraw/zinc/90/05/06/353900506.db2.gz PWODKNZITYCKQC-WDEREUQCSA-N 0 0 227.348 2.185 10 0 BEAERN CCn1cnnc1[C@H]1CCC(F)(F)C1 ZINC000301015338 363295569 /nfs/dbraw/zinc/29/55/69/363295569.db2.gz OWVIMJIKLWCFTB-ZETCQYMHSA-N 0 0 201.220 2.201 10 0 BEAERN CCOC[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000231527934 363344530 /nfs/dbraw/zinc/34/45/30/363344530.db2.gz MDSUMNITKHDLFO-PSASIEDQSA-N 0 0 212.293 2.059 10 0 BEAERN CCOC[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000231527914 363344645 /nfs/dbraw/zinc/34/46/45/363344645.db2.gz MDSUMNITKHDLFO-WPRPVWTQSA-N 0 0 212.293 2.059 10 0 BEAERN CC(C)(C)C(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334740929 354544634 /nfs/dbraw/zinc/54/46/34/354544634.db2.gz INFLUIZPFIZKMB-GHMZBOCLSA-N 0 0 237.343 2.060 10 0 BEAERN CSC1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000334711627 354508170 /nfs/dbraw/zinc/50/81/70/354508170.db2.gz UREPMVKSLVTOIN-QWRGUYRKSA-N 0 0 229.389 2.381 10 0 BEAERN CC(C)c1cnc(N2C[C@H](C)C[C@@H](O)C2)s1 ZINC000334812003 354568970 /nfs/dbraw/zinc/56/89/70/354568970.db2.gz FRSJNQATNBETCU-NXEZZACHSA-N 0 0 240.372 2.474 10 0 BEAERN CCC1(C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)CC1 ZINC000334753511 354575052 /nfs/dbraw/zinc/57/50/52/354575052.db2.gz UFQMTXFDAFBGQN-NWDGAFQWSA-N 0 0 249.354 2.204 10 0 BEAERN C[C@@H]1COCC[C@@H]1C(=O)[C@@H]1CCCS1 ZINC000301049832 363381338 /nfs/dbraw/zinc/38/13/38/363381338.db2.gz ZRCRGFYBTIXHPO-UTLUCORTSA-N 0 0 214.330 2.124 10 0 BEAERN Cc1cc([C@](C)(O)[C@H]2CCOC2)cs1 ZINC000229702175 354902843 /nfs/dbraw/zinc/90/28/43/354902843.db2.gz UVELKWSTTNIULL-GXSJLCMTSA-N 0 0 212.314 2.301 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1C[C@@H](C)O[C@H]1C ZINC000413544757 191394723 /nfs/dbraw/zinc/39/47/23/191394723.db2.gz YWKOUYZFLKNXMD-GRYCIOLGSA-N 0 0 249.358 2.247 10 0 BEAERN CC(C)c1nccnc1N(C)C[C@@H]1CCC[C@@H]1O ZINC000413197963 191362734 /nfs/dbraw/zinc/36/27/34/191362734.db2.gz GVCRVTISSJEDEF-RYUDHWBXSA-N 0 0 249.358 2.197 10 0 BEAERN CC(C)c1nccnc1N(C)C[C@H]1CCC[C@H]1O ZINC000413197965 191362811 /nfs/dbraw/zinc/36/28/11/191362811.db2.gz GVCRVTISSJEDEF-VXGBXAGGSA-N 0 0 249.358 2.197 10 0 BEAERN CC(C)c1nccnc1NCCc1cnccn1 ZINC000413227247 191364782 /nfs/dbraw/zinc/36/47/82/191364782.db2.gz PCSPMTZQMWPXKY-UHFFFAOYSA-N 0 0 243.314 2.045 10 0 BEAERN COCC(C)(C)CNc1nccnc1C(C)C ZINC000413293062 191368675 /nfs/dbraw/zinc/36/86/75/191368675.db2.gz AMPGJHVMBNYUOW-UHFFFAOYSA-N 0 0 237.347 2.106 10 0 BEAERN CCn1c(=O)cc(Cl)nc1C(C)C ZINC000166379065 355394949 /nfs/dbraw/zinc/39/49/49/355394949.db2.gz KKCCODJEUWVOED-UHFFFAOYSA-N 0 0 200.669 2.040 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC(C)CC2)n1 ZINC000335795782 355451730 /nfs/dbraw/zinc/45/17/30/355451730.db2.gz ZVPJGCCBAXPEGH-UHFFFAOYSA-N 0 0 223.295 2.469 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)n1 ZINC000335804608 355474031 /nfs/dbraw/zinc/47/40/31/355474031.db2.gz MVOXLKAMXHKNFL-GHMZBOCLSA-N 0 0 231.299 2.406 10 0 BEAERN CC[C@@H]1CCN(c2nc(Cl)nnc2Cl)C1 ZINC000166494080 355549689 /nfs/dbraw/zinc/54/96/89/355549689.db2.gz FXOGHDWBDUFZSO-ZCFIWIBFSA-N 0 0 247.129 2.415 10 0 BEAERN CC1(CNC(=O)N2C[C@@H]3CCC[C@H]32)CCC1 ZINC000335828488 355555224 /nfs/dbraw/zinc/55/52/24/355555224.db2.gz YRMHIKZWDPEHGA-WDEREUQCSA-N 0 0 222.332 2.371 10 0 BEAERN CCC[C@@H]1CCN(c2cc(F)ncn2)C1 ZINC000166497313 355556046 /nfs/dbraw/zinc/55/60/46/355556046.db2.gz PMBOQIBZADZJAN-SECBINFHSA-N 0 0 209.268 2.242 10 0 BEAERN CC(C)(C)[C@@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000390353648 355511891 /nfs/dbraw/zinc/51/18/91/355511891.db2.gz PXCWAHSCJHSIJD-QMMMGPOBSA-N 0 0 244.316 2.475 10 0 BEAERN COCC(=O)c1ccc(OC)cc1Cl ZINC000308460760 355645082 /nfs/dbraw/zinc/64/50/82/355645082.db2.gz QTKGRAXTKBSEPH-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN O=C(c1ccc(F)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000335871509 355638015 /nfs/dbraw/zinc/63/80/15/355638015.db2.gz BORAPCAHSFBJGA-PWSUYJOCSA-N 0 0 219.259 2.450 10 0 BEAERN O=C(c1cccs1)N1C[C@H]2CCC[C@@H]21 ZINC000335872015 355638517 /nfs/dbraw/zinc/63/85/17/355638517.db2.gz YZEYZSKHYMJINW-BDAKNGLRSA-N 0 0 207.298 2.373 10 0 BEAERN O=C(c1cccs1)N1C[C@@H]2CCC[C@@H]21 ZINC000335872017 355638615 /nfs/dbraw/zinc/63/86/15/355638615.db2.gz YZEYZSKHYMJINW-IUCAKERBSA-N 0 0 207.298 2.373 10 0 BEAERN O=C(c1ccccc1)N1C[C@H]2CCC[C@@H]21 ZINC000335871912 355638646 /nfs/dbraw/zinc/63/86/46/355638646.db2.gz OZVHWOBDWLSAEC-NEPJUHHUSA-N 0 0 201.269 2.311 10 0 BEAERN CCc1cc(C(=O)[O-])cc(NC(C)C)[nH+]1 ZINC000166559872 355691665 /nfs/dbraw/zinc/69/16/65/355691665.db2.gz LLMLQYBYLKOOQD-UHFFFAOYSA-N 0 0 208.261 2.163 10 0 BEAERN CC(C)Nc1cc(Cl)ncc1CO ZINC000223341639 355734473 /nfs/dbraw/zinc/73/44/73/355734473.db2.gz DBDQQUWTCJIGTQ-UHFFFAOYSA-N 0 0 200.669 2.048 10 0 BEAERN CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000350731496 355751640 /nfs/dbraw/zinc/75/16/40/355751640.db2.gz ATWLDDKCAMWLGD-QWRGUYRKSA-N 0 0 225.332 2.203 10 0 BEAERN N=C1c2c(O)cccc2Cc2cccc(O)c21 ZINC000013606515 181208098 /nfs/dbraw/zinc/20/80/98/181208098.db2.gz PSXQHDJVYHURTR-UHFFFAOYSA-N 0 0 225.247 2.418 10 0 BEAERN FC(F)(Br)c1nc(Cl)no1 ZINC000129641379 355766760 /nfs/dbraw/zinc/76/67/60/355766760.db2.gz MATBNZQYCZLPGM-UHFFFAOYSA-N 0 0 233.399 2.167 10 0 BEAERN CC(=O)[C@@H](N)c1ccc(Cl)c(F)c1 ZINC000168431982 355819296 /nfs/dbraw/zinc/81/92/96/355819296.db2.gz KBSXAWPZTHGPDZ-SECBINFHSA-N 0 0 201.628 2.068 10 0 BEAERN COc1ccccc1[C@@]1(O)CSC[C@H]1C ZINC000308990776 355836976 /nfs/dbraw/zinc/83/69/76/355836976.db2.gz VXKUVCGUVQPXPA-BXKDBHETSA-N 0 0 224.325 2.266 10 0 BEAERN O=C1C=CC=C/C1=C\N(O)c1ccccc1 ZINC000006096705 355861896 /nfs/dbraw/zinc/86/18/96/355861896.db2.gz XXGSSBOYMORQSP-ZHACJKMWSA-N 0 0 213.236 2.461 10 0 BEAERN Nc1ccc(Br)cc1[C@@H](O)C1CC1 ZINC000168537170 355886100 /nfs/dbraw/zinc/88/61/00/355886100.db2.gz WOHWELZMZLQOAE-JTQLQIEISA-N 0 0 242.116 2.475 10 0 BEAERN O=Cc1cncn1Cc1ccccc1Cl ZINC000085194006 356196425 /nfs/dbraw/zinc/19/64/25/356196425.db2.gz GZYJGOFUCIHFAG-UHFFFAOYSA-N 0 0 220.659 2.397 10 0 BEAERN O=C(CN1C[C@H]2CCC[C@H]21)c1ccccc1F ZINC000639538471 356390645 /nfs/dbraw/zinc/39/06/45/356390645.db2.gz PDYXKHTYVFDEAE-ZWNOBZJWSA-N 0 0 233.286 2.493 10 0 BEAERN O=c1c(Cl)nccn1-c1ccc(F)cc1 ZINC000117609316 356413172 /nfs/dbraw/zinc/41/31/72/356413172.db2.gz OTHRCAQVLAOBPJ-UHFFFAOYSA-N 0 0 224.622 2.025 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)c1cccc(O)c1 ZINC000037941902 181278514 /nfs/dbraw/zinc/27/85/14/181278514.db2.gz UUIJCZOJDZCCQR-CYBMUJFWSA-N 0 0 242.278 2.031 10 0 BEAERN NC(=O)[C@H](Nc1ccc(F)cc1)[C@@H]1CC=CCC1 ZINC000037942781 181278923 /nfs/dbraw/zinc/27/89/23/181278923.db2.gz GYSQVCMOHHGYCG-ZWNOBZJWSA-N 0 0 248.301 2.448 10 0 BEAERN CC(C)c1nccnc1N1C[C@H](CO)C[C@H](C)C1 ZINC000420639749 192253578 /nfs/dbraw/zinc/25/35/78/192253578.db2.gz YCNCYDKXNPBCJG-NWDGAFQWSA-N 0 0 249.358 2.055 10 0 BEAERN O=C1O[C@@H](C(F)(F)F)N=C1Cc1ccccc1 ZINC000142071689 356468681 /nfs/dbraw/zinc/46/86/81/356468681.db2.gz ZAOAMTIDKBRQDW-JTQLQIEISA-N 0 0 243.184 2.115 10 0 BEAERN CCOP(=O)(OCC)[C@](C)(O)CC ZINC000003138046 356469641 /nfs/dbraw/zinc/46/96/41/356469641.db2.gz QOASWXCRZUYTOP-QMMMGPOBSA-N 0 0 210.210 2.371 10 0 BEAERN COC1CN(c2ccccc2Br)C1 ZINC000142615137 356470190 /nfs/dbraw/zinc/47/01/90/356470190.db2.gz WHCCLXUFOWCTSQ-UHFFFAOYSA-N 0 0 242.116 2.284 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)c1cccs1 ZINC000041671899 181277816 /nfs/dbraw/zinc/27/78/16/181277816.db2.gz CCRHKMAWCGFPGD-LLVKDONJSA-N 0 0 232.308 2.387 10 0 BEAERN C[C@H]1CCO[C@H]1C(=O)c1ccccc1F ZINC000167934126 356479105 /nfs/dbraw/zinc/47/91/05/356479105.db2.gz KLTATDJEPUHIGU-QPUJVOFHSA-N 0 0 208.232 2.433 10 0 BEAERN CCn1c(C)nnc1N1CCC[C@H](C)[C@@H]1C ZINC000336186281 134121350 /nfs/dbraw/zinc/12/13/50/134121350.db2.gz CMXTUPIKJOYPKM-UWVGGRQHSA-N 0 0 222.336 2.231 10 0 BEAERN O[C@H]1CCC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000613537509 363477359 /nfs/dbraw/zinc/47/73/59/363477359.db2.gz FEYSVVUVOJIWGY-QWRGUYRKSA-N 0 0 243.310 2.345 10 0 BEAERN O[C@H]1CCC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000613538833 363479996 /nfs/dbraw/zinc/47/99/96/363479996.db2.gz ZIOSDPSVLLYSLJ-ZJUUUORDSA-N 0 0 248.351 2.434 10 0 BEAERN Cc1ccccc1[C@H]1CC[C@H](CO)OC1 ZINC000675058428 538481457 /nfs/dbraw/zinc/48/14/57/538481457.db2.gz FSBKMGPWYDSAKL-NWDGAFQWSA-N 0 0 206.285 2.250 10 0 BEAERN Cc1ccc([C@H]2CC[C@H](CO)OC2)cc1 ZINC000675058738 538482295 /nfs/dbraw/zinc/48/22/95/538482295.db2.gz WAEVIMRXXPBFJZ-QWHCGFSZSA-N 0 0 206.285 2.250 10 0 BEAERN CC1CCC([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059583 538484326 /nfs/dbraw/zinc/48/43/26/538484326.db2.gz JOBVBNRHYYENKK-HCWSGVFWSA-N 0 0 225.332 2.266 10 0 BEAERN COc1ncncc1-c1ccc(F)c(N)c1F ZINC000675059132 538482902 /nfs/dbraw/zinc/48/29/02/538482902.db2.gz LBGAEPLTBKKDMN-UHFFFAOYSA-N 0 0 237.209 2.013 10 0 BEAERN Cc1cnc(-c2ccc(F)c(N)c2F)nc1 ZINC000675058949 538483111 /nfs/dbraw/zinc/48/31/11/538483111.db2.gz DMXDBNZLZLFGAM-UHFFFAOYSA-N 0 0 221.210 2.312 10 0 BEAERN CCc1cn2c(n1)[C@@H](C(F)(F)F)NCCC2 ZINC000675067932 538495895 /nfs/dbraw/zinc/49/58/95/538495895.db2.gz LFYBHQSVRNACTL-QMMMGPOBSA-N 0 0 233.237 2.042 10 0 BEAERN CCc1cn2c(n1)[C@H](CC(F)(F)F)NCCC2 ZINC000675068363 538496376 /nfs/dbraw/zinc/49/63/76/538496376.db2.gz PQMFBZWPJUCLPB-VIFPVBQESA-N 0 0 247.264 2.432 10 0 BEAERN COC(=O)[C@@H](C)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000675068653 538496835 /nfs/dbraw/zinc/49/68/35/538496835.db2.gz RKMYGTIMECVXCX-ZETCQYMHSA-N 0 0 249.241 2.356 10 0 BEAERN C[C@@H]1CCC[C@H]([C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)C1 ZINC000675059813 538485351 /nfs/dbraw/zinc/48/53/51/538485351.db2.gz NHAZACQNFLMRCI-WRWGMCAJSA-N 0 0 225.332 2.266 10 0 BEAERN COc1ccccc1[C@]12C[C@H](CC1)[C@H]2O ZINC000675081855 538523106 /nfs/dbraw/zinc/52/31/06/538523106.db2.gz XFIDIIOMYJROOG-ZWKOPEQDSA-N 0 0 204.269 2.108 10 0 BEAERN CCCCn1cc(-c2ccccc2N)nn1 ZINC000675078990 538517306 /nfs/dbraw/zinc/51/73/06/538517306.db2.gz OUCPADYXUJDBNM-UHFFFAOYSA-N 0 0 216.288 2.327 10 0 BEAERN Cc1ccc2c(n1)C[C@@H](C(=O)CC1CC1)O2 ZINC000675081091 538521139 /nfs/dbraw/zinc/52/11/39/538521139.db2.gz GGPQYNDGYCDQNW-ZDUSSCGKSA-N 0 0 217.268 2.063 10 0 BEAERN Nc1nn(CCC[C@H]2CCCO2)cc1Cl ZINC000083526968 538512494 /nfs/dbraw/zinc/51/24/94/538512494.db2.gz INXIQSMVZOXWKN-QMMMGPOBSA-N 0 0 229.711 2.078 10 0 BEAERN Cc1cn(C[C@H](C)CC(F)(F)F)nc1N ZINC000402797361 538549494 /nfs/dbraw/zinc/54/94/94/538549494.db2.gz WDHODYMEWVDVCP-ZCFIWIBFSA-N 0 0 221.226 2.193 10 0 BEAERN COC(=O)[C@]1(C(C)C)OC12CCCCC2 ZINC000086182487 538550584 /nfs/dbraw/zinc/55/05/84/538550584.db2.gz QDWOKIQBOZMCKR-LBPRGKRZSA-N 0 0 212.289 2.287 10 0 BEAERN Nc1cn(Cc2cc(Cl)ccc2Cl)nn1 ZINC000086491565 538556195 /nfs/dbraw/zinc/55/61/95/538556195.db2.gz WFLYUXISVLPXCR-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Nc1cccc(-c2cnn(CCF)c2)c1 ZINC000087775442 538569216 /nfs/dbraw/zinc/56/92/16/538569216.db2.gz ZFWWFQKRJOTHBB-UHFFFAOYSA-N 0 0 205.236 2.102 10 0 BEAERN Nc1ccc(-c2nccn2CCF)cc1 ZINC000087775429 538569512 /nfs/dbraw/zinc/56/95/12/538569512.db2.gz LLHORLYKDNQSDM-UHFFFAOYSA-N 0 0 205.236 2.102 10 0 BEAERN Brc1cnc([C@H]2CCCOC2)nc1 ZINC000096134335 538614150 /nfs/dbraw/zinc/61/41/50/538614150.db2.gz KHJDOGOWEPQSLN-ZETCQYMHSA-N 0 0 243.104 2.133 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000227199040 538617296 /nfs/dbraw/zinc/61/72/96/538617296.db2.gz HDTNXHNMXBIMSI-QCZKYFFMSA-N 0 0 212.289 2.143 10 0 BEAERN CC1CC(C(=O)N2CCC[C@H](C)[C@@H]2CCO)C1 ZINC000618014545 356873133 /nfs/dbraw/zinc/87/31/33/356873133.db2.gz PECNHOHABLRGMF-MVKMKZAISA-N 0 0 239.359 2.042 10 0 BEAERN NC(=O)c1cc(N)ccc1Oc1cccc(F)c1 ZINC000041080405 181289871 /nfs/dbraw/zinc/28/98/71/181289871.db2.gz XPBFPXGANMWCAX-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN Cc1nnc(Sc2cc(Cl)ncn2)s1 ZINC000040422458 356967193 /nfs/dbraw/zinc/96/71/93/356967193.db2.gz URYIQVYJOQSHTK-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN CNc1cc(Br)nc(C2CC2)n1 ZINC000160525304 357035378 /nfs/dbraw/zinc/03/53/78/357035378.db2.gz HNYPONULZQTWFP-UHFFFAOYSA-N 0 0 228.093 2.158 10 0 BEAERN CCCc1nc(Br)cc(NC)n1 ZINC000160525614 357035396 /nfs/dbraw/zinc/03/53/96/357035396.db2.gz RDDQPDQZSVTVHH-UHFFFAOYSA-N 0 0 230.109 2.233 10 0 BEAERN CC(C)(C)C1CCC([C@@H](C[NH3+])C(=O)[O-])CC1 ZINC000136730698 538772501 /nfs/dbraw/zinc/77/25/01/538772501.db2.gz XUULTAQEFOGMGO-VQXHTEKXSA-N 0 0 227.348 2.498 10 0 BEAERN CC[C@@H](C)N(C)c1cc(Br)ncn1 ZINC000160556766 357062348 /nfs/dbraw/zinc/06/23/48/357062348.db2.gz SDNWKJBHQRZLQM-SSDOTTSWSA-N 0 0 244.136 2.474 10 0 BEAERN CC[C@@](C)(O)C(=O)c1ccc(C)c(F)c1 ZINC000223787373 357068052 /nfs/dbraw/zinc/06/80/52/357068052.db2.gz UGUGOYDMPNEYQX-GFCCVEGCSA-N 0 0 210.248 2.478 10 0 BEAERN CCSc1nc2ccccc2n1CO ZINC000000040115 357144049 /nfs/dbraw/zinc/14/40/49/357144049.db2.gz BRZGMOJHODCIRR-UHFFFAOYSA-N 0 0 208.286 2.098 10 0 BEAERN NC(=O)c1cc(N)ccc1OC1CCCCCC1 ZINC000041081605 181290243 /nfs/dbraw/zinc/29/02/43/181290243.db2.gz VFSLDXMREGMKHR-UHFFFAOYSA-N 0 0 248.326 2.469 10 0 BEAERN CS[C@@H](C)CNc1snc(N)c1C ZINC000300030355 357173814 /nfs/dbraw/zinc/17/38/14/357173814.db2.gz KKQFIPCHTYUDFG-YFKPBYRVSA-N 0 0 217.363 2.197 10 0 BEAERN Cc1nc(Br)cc(N[C@H]2C[C@H]2C)n1 ZINC000160675557 357169547 /nfs/dbraw/zinc/16/95/47/357169547.db2.gz HSIFPOMQKWCROP-VDTYLAMSSA-N 0 0 242.120 2.368 10 0 BEAERN CCCC[C@H](CC)C(=O)N1CC[C@H](CCO)C1 ZINC000123005738 357203894 /nfs/dbraw/zinc/20/38/94/357203894.db2.gz QEXDUZVQEOSTAL-OLZOCXBDSA-N 0 0 241.375 2.434 10 0 BEAERN CCOCCC(=O)N[C@H](CC)c1nccs1 ZINC000131373273 325143803 /nfs/dbraw/zinc/14/38/03/325143803.db2.gz NYZHLYLRLUFULT-SECBINFHSA-N 0 0 242.344 2.137 10 0 BEAERN COC(=O)c1c(CC(C)C)noc1Cl ZINC000259945544 538833585 /nfs/dbraw/zinc/83/35/85/538833585.db2.gz CZRVDEINCWXMKH-UHFFFAOYSA-N 0 0 217.652 2.313 10 0 BEAERN O=C(CC[C@@H]1CCOC1)NCCC1=CCCC1 ZINC000131481666 325154823 /nfs/dbraw/zinc/15/48/23/325154823.db2.gz HBVFCIQPTRYXNM-CYBMUJFWSA-N 0 0 237.343 2.420 10 0 BEAERN CCOC(=O)c1cc2ccc(F)cc2c(=O)[nH]1 ZINC000259952798 538833663 /nfs/dbraw/zinc/83/36/63/538833663.db2.gz CEZSOKHZURRWAZ-UHFFFAOYSA-N 0 0 235.214 2.256 10 0 BEAERN CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCOC1 ZINC000131419244 325148531 /nfs/dbraw/zinc/14/85/31/325148531.db2.gz KVAABQOJOLZJDO-JTQLQIEISA-N 0 0 247.285 2.059 10 0 BEAERN CNC(=O)CNc1ccccc1C(C)(C)C ZINC000011041996 357376935 /nfs/dbraw/zinc/37/69/35/357376935.db2.gz AJWVNECUQODZOW-UHFFFAOYSA-N 0 0 220.316 2.142 10 0 BEAERN COc1cc(Br)c(O)cc1C ZINC000219717644 357388030 /nfs/dbraw/zinc/38/80/30/357388030.db2.gz SRLXEENTHDCNAK-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN NC(=O)c1cc(NCC2CCCCC2)ccn1 ZINC000035673497 181291259 /nfs/dbraw/zinc/29/12/59/181291259.db2.gz YGFBHIAGNKQRKJ-UHFFFAOYSA-N 0 0 233.315 2.173 10 0 BEAERN CCC1(CNC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000188983844 357598003 /nfs/dbraw/zinc/59/80/03/357598003.db2.gz IBZMJOQQPSWBAZ-WDEREUQCSA-N 0 0 225.332 2.108 10 0 BEAERN Fc1ccc(CN[C@H]2COc3ccccc32)cn1 ZINC000189060176 357602080 /nfs/dbraw/zinc/60/20/80/357602080.db2.gz RBAILQQZGULJGE-LBPRGKRZSA-N 0 0 244.269 2.444 10 0 BEAERN Cc1ccsc1-c1nc(N)nc(Cl)n1 ZINC000137354782 538872580 /nfs/dbraw/zinc/87/25/80/538872580.db2.gz FZGBXUYAOXDEAL-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN Nc1ncn(Cc2cccc(Cl)c2Cl)n1 ZINC000228813867 538878013 /nfs/dbraw/zinc/87/80/13/538878013.db2.gz TUOADSWQWFBDFQ-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN CCOC(CC(=O)c1cscn1)OCC ZINC000229143002 538881423 /nfs/dbraw/zinc/88/14/23/538881423.db2.gz UEVQYMPRAOBIGV-UHFFFAOYSA-N 0 0 229.301 2.115 10 0 BEAERN CC1(C(=O)N2CC[C@H](CCO)C2)CCCCC1 ZINC000232238892 357649450 /nfs/dbraw/zinc/64/94/50/357649450.db2.gz QTLMXYMNKUWUOY-GFCCVEGCSA-N 0 0 239.359 2.188 10 0 BEAERN CC(C)(C)C(=O)NCC[C@H]1CCCC[C@H]1O ZINC000685948189 538890270 /nfs/dbraw/zinc/89/02/70/538890270.db2.gz ZVUPGVVVQXLYAM-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN CCOCCN1C(=S)N=NC1C[C@H](C)CC ZINC000685949516 538892377 /nfs/dbraw/zinc/89/23/77/538892377.db2.gz BGNSTHINQNAIOT-SECBINFHSA-N 0 0 243.376 2.192 10 0 BEAERN CC(C)(NC(=O)C1CC1)c1ccc(N)cc1 ZINC000685949403 538892574 /nfs/dbraw/zinc/89/25/74/538892574.db2.gz RIECHKQYGJLWNB-UHFFFAOYSA-N 0 0 218.300 2.030 10 0 BEAERN COC1CC(C2N=NC(=S)N2C(C)C)C1 ZINC000685949443 538892658 /nfs/dbraw/zinc/89/26/58/538892658.db2.gz AATPOJNVLKUOOJ-UHFFFAOYSA-N 0 0 227.333 2.040 10 0 BEAERN COC(C)(C)C1N=NC(=S)N1CC(C)(C)C ZINC000685949579 538892841 /nfs/dbraw/zinc/89/28/41/538892841.db2.gz CLWUMSJXDKIPMH-UHFFFAOYSA-N 0 0 243.376 2.494 10 0 BEAERN CCCCC1N=NC(=S)N1CC(F)F ZINC000685950353 538894019 /nfs/dbraw/zinc/89/40/19/538894019.db2.gz YIBSXIKBQLEJDO-UHFFFAOYSA-N 0 0 221.276 2.175 10 0 BEAERN CCCN(CCC)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190304033 357700289 /nfs/dbraw/zinc/70/02/89/357700289.db2.gz VMMKKWZAQVFWQV-NEPJUHHUSA-N 0 0 227.348 2.450 10 0 BEAERN CCCCN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190733762 357729857 /nfs/dbraw/zinc/72/98/57/357729857.db2.gz IUCKRKRVZKHMHH-CYBMUJFWSA-N 0 0 237.347 2.076 10 0 BEAERN CCCC(C)(C)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190787635 357731119 /nfs/dbraw/zinc/73/11/19/357731119.db2.gz IHRWQFQVTMYARQ-GHMZBOCLSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)N(C(=O)[C@H]1CCCO[C@H]1C)C(C)C ZINC000191897354 357802977 /nfs/dbraw/zinc/80/29/77/357802977.db2.gz JPAOZRNHVZFBBG-RYUDHWBXSA-N 0 0 227.348 2.447 10 0 BEAERN Cc1cccc(CC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075509453 325298569 /nfs/dbraw/zinc/29/85/69/325298569.db2.gz QIJNMVJZOYPMMF-JQWIXIFHSA-N 0 0 203.285 2.062 10 0 BEAERN O=C(C[C@H]1CCOC1)c1cccc(F)c1 ZINC000168936893 358001412 /nfs/dbraw/zinc/00/14/12/358001412.db2.gz MIXFRPIXJXYDOZ-SECBINFHSA-N 0 0 208.232 2.435 10 0 BEAERN CS[C@H](C)CNC(=O)N[C@H](C)C(C)C ZINC000133681527 325309466 /nfs/dbraw/zinc/30/94/66/325309466.db2.gz YPVFXXNDCWRIOJ-RKDXNWHRSA-N 0 0 218.366 2.082 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1scnc1C1CC1 ZINC000089814856 491120011 /nfs/dbraw/zinc/12/00/11/491120011.db2.gz IFYNICJBCIZDKA-POYBYMJQSA-N 0 0 222.313 2.159 10 0 BEAERN Nc1ccc(NCc2ccccc2)c2nonc21 ZINC000035675365 358094305 /nfs/dbraw/zinc/09/43/05/358094305.db2.gz HYGPEIVZAIVICL-UHFFFAOYSA-N 0 0 240.266 2.417 10 0 BEAERN Cc1cccc(C)c1OCCCCNC(N)=O ZINC000584650658 358128927 /nfs/dbraw/zinc/12/89/27/358128927.db2.gz CGQOLBNEMRGKKV-UHFFFAOYSA-N 0 0 236.315 2.131 10 0 BEAERN CCCN(C(=O)N[C@@H](C)[C@@H]1CCCO1)C1CC1 ZINC000171425291 134258192 /nfs/dbraw/zinc/25/81/92/134258192.db2.gz NHOAJJHADQKIAP-JQWIXIFHSA-N 0 0 240.347 2.138 10 0 BEAERN O=Cc1cccc(O[C@H]2CCCCO2)c1 ZINC000038283713 358144304 /nfs/dbraw/zinc/14/43/04/358144304.db2.gz CUOBWSLIFAJGNN-LBPRGKRZSA-N 0 0 206.241 2.405 10 0 BEAERN C[C@H](O)CNc1nccc2sccc21 ZINC000035687775 358183102 /nfs/dbraw/zinc/18/31/02/358183102.db2.gz WKMCPHLIEYVCLC-ZETCQYMHSA-N 0 0 208.286 2.089 10 0 BEAERN O=C1NCC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000075172892 491124592 /nfs/dbraw/zinc/12/45/92/491124592.db2.gz KRSOZISQAWZHPG-SECBINFHSA-N 0 0 243.228 2.384 10 0 BEAERN COc1cc(OC)c(OC)cc1CCC(C)=O ZINC000038863572 358210014 /nfs/dbraw/zinc/21/00/14/358210014.db2.gz JVDFQKBEQIXVQN-UHFFFAOYSA-N 0 0 238.283 2.234 10 0 BEAERN O=[N+]([O-])c1cnn([C@@H]2CCCCO2)c1Cl ZINC000224869918 358238354 /nfs/dbraw/zinc/23/83/54/358238354.db2.gz IHIPRXBNVMNOFO-ZETCQYMHSA-N 0 0 231.639 2.144 10 0 BEAERN Cc1cc(CNCc2cc[nH]n2)cc(C)c1O ZINC000041014840 358241459 /nfs/dbraw/zinc/24/14/59/358241459.db2.gz PPAFQTMFDNAPKB-UHFFFAOYSA-N 0 0 231.299 2.022 10 0 BEAERN C[C@]1(Br)COc2ccccc2C1=O ZINC000584630919 358249221 /nfs/dbraw/zinc/24/92/21/358249221.db2.gz AHZNMFMOCZXLIB-JTQLQIEISA-N 0 0 241.084 2.415 10 0 BEAERN Nc1ccc(-c2ccc([C@H]([NH3+])C(=O)[O-])cc2)cc1 ZINC000584611959 358275848 /nfs/dbraw/zinc/27/58/48/358275848.db2.gz VXEWRCHIKZRIOS-ZDUSSCGKSA-N 0 0 242.278 2.020 10 0 BEAERN CC(=O)c1c[nH]c2ncnc(OCC(C)C)c12 ZINC000584613440 358277470 /nfs/dbraw/zinc/27/74/70/358277470.db2.gz KBABZWSSGPHXJR-UHFFFAOYSA-N 0 0 233.271 2.195 10 0 BEAERN COc1ccc(OCCCCN2CC2)cc1 ZINC000584591623 358249709 /nfs/dbraw/zinc/24/97/09/358249709.db2.gz AYQJXKVAIUOHCI-UHFFFAOYSA-N 0 0 221.300 2.170 10 0 BEAERN CC(C)C[S@@](=O)c1cccc(C=O)c1 ZINC000584592652 358251024 /nfs/dbraw/zinc/25/10/24/358251024.db2.gz XPIRJDCBAJLGPK-CQSZACIVSA-N 0 0 210.298 2.263 10 0 BEAERN CC[Si](C)(C)c1c(F)cc(N)cc1F ZINC000584592979 358251073 /nfs/dbraw/zinc/25/10/73/358251073.db2.gz UAUBGMXSCUZCHN-UHFFFAOYSA-N 0 0 215.319 2.482 10 0 BEAERN CCOC(=O)[C@H](C(=O)CC)c1ccc(F)cc1 ZINC000584595360 358252607 /nfs/dbraw/zinc/25/26/07/358252607.db2.gz RJVOHHAVHKWBML-LBPRGKRZSA-N 0 0 238.258 2.452 10 0 BEAERN C=C=C[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000584595814 358253260 /nfs/dbraw/zinc/25/32/60/358253260.db2.gz YWKDOZBJWMTQSF-JTQLQIEISA-N 0 0 236.267 2.087 10 0 BEAERN I[C@]12CCC[C@@H]1OCC2 ZINC000584630981 358255244 /nfs/dbraw/zinc/25/52/44/358255244.db2.gz WKQJYEURJZKHQQ-BQBZGAKWSA-N 0 0 238.068 2.133 10 0 BEAERN I[C@@]12CCC[C@H]1OCC2 ZINC000584630985 358255389 /nfs/dbraw/zinc/25/53/89/358255389.db2.gz WKQJYEURJZKHQQ-RNFRBKRXSA-N 0 0 238.068 2.133 10 0 BEAERN CCOC(=O)C1C[C@H]2CC[C@@H](C1)C2OC ZINC000584599733 358256477 /nfs/dbraw/zinc/25/64/77/358256477.db2.gz LHGALSUJIOZPGB-IXBNRNDTSA-N 0 0 212.289 2.001 10 0 BEAERN CCC[S@@](=O)(=S)OC1CCCCC1 ZINC000584601367 358258323 /nfs/dbraw/zinc/25/83/23/358258323.db2.gz JPAAFIUGHGHYSJ-ZDUSSCGKSA-N 0 0 222.375 2.407 10 0 BEAERN CCO[C@@H](O)[C@@H]1[C@@H](C)[C@H]1Oc1ccccc1 ZINC000584601700 358258808 /nfs/dbraw/zinc/25/88/08/358258808.db2.gz AQJOHRNUQGRIQP-OJAKKHQRSA-N 0 0 222.284 2.055 10 0 BEAERN C[C@@]1(CO)CC[C@@H](O[C@H]2CCCCO2)CC1 ZINC000584601471 358258815 /nfs/dbraw/zinc/25/88/15/358258815.db2.gz SJLYTRBXEPKQHW-AVGNSLFASA-N 0 0 228.332 2.471 10 0 BEAERN CCOP(=O)(OCC)c1ncccc1F ZINC000584602395 358259916 /nfs/dbraw/zinc/25/99/16/358259916.db2.gz SQOSWSFPNIKUCJ-UHFFFAOYSA-N 0 0 233.179 2.112 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Cc1cccs1 ZINC000584603274 358261798 /nfs/dbraw/zinc/26/17/98/358261798.db2.gz VGXDMTZJXJFSIK-MRVPVSSYSA-N 0 0 226.297 2.059 10 0 BEAERN CN(CCc1ccccn1)c1ccco1 ZINC000584604276 358263022 /nfs/dbraw/zinc/26/30/22/358263022.db2.gz UOTBHRLUZJENBO-UHFFFAOYSA-N 0 0 202.257 2.354 10 0 BEAERN Cc1c(C(F)(F)F)nc2c(C)cc(C=O)nn12 ZINC000584605803 358264786 /nfs/dbraw/zinc/26/47/86/358264786.db2.gz KZQNIIJRIJKIBB-UHFFFAOYSA-N 0 0 243.188 2.177 10 0 BEAERN CCOC(=O)c1cn2cc(C3CC3)sc2n1 ZINC000584605975 358265380 /nfs/dbraw/zinc/26/53/80/358265380.db2.gz UDDYLJFEMBPUNG-UHFFFAOYSA-N 0 0 236.296 2.450 10 0 BEAERN COC(=O)Cc1cc(C(C)(C)C)ccn1 ZINC000584606670 358266098 /nfs/dbraw/zinc/26/60/98/358266098.db2.gz GDYKJGNDSIKSOD-UHFFFAOYSA-N 0 0 207.273 2.095 10 0 BEAERN CN1C=C[C@@H](c2ccccc2)NC1=S ZINC000584607511 358268072 /nfs/dbraw/zinc/26/80/72/358268072.db2.gz MIJPXOBUGRETKI-JTQLQIEISA-N 0 0 204.298 2.061 10 0 BEAERN CSCC[C@@H]1N=C(C(C)(C)C)OC1=O ZINC000584607659 358268279 /nfs/dbraw/zinc/26/82/79/358268279.db2.gz ZXMHCDOTKOHROV-ZETCQYMHSA-N 0 0 215.318 2.110 10 0 BEAERN CN(C)c1ccnc2[nH]cc(-c3cnn(C)c3)c21 ZINC000584620146 358286919 /nfs/dbraw/zinc/28/69/19/358286919.db2.gz MJDUYMYUTZWYCM-UHFFFAOYSA-N 0 0 241.298 2.029 10 0 BEAERN CCOC(=O)C[C@]1(C)OC(=O)[C@H]2CCCC[C@@H]21 ZINC000584619930 358287075 /nfs/dbraw/zinc/28/70/75/358287075.db2.gz IHSYFWPFMWNZED-KWBADKCTSA-N 0 0 240.299 2.062 10 0 BEAERN COc1ccccc1CCC1OCCO1 ZINC000584621336 358288730 /nfs/dbraw/zinc/28/87/30/358288730.db2.gz UAGTUSVQSUBZOH-UHFFFAOYSA-N 0 0 208.257 2.001 10 0 BEAERN COc1ccc(CN2C=CCCC2=O)cc1 ZINC000584621841 358289569 /nfs/dbraw/zinc/28/95/69/358289569.db2.gz HYFWFKBFFWHNEZ-UHFFFAOYSA-N 0 0 217.268 2.331 10 0 BEAERN COc1cccc(N[C@@H]2CCCC2=O)c1 ZINC000584621905 358290136 /nfs/dbraw/zinc/29/01/36/358290136.db2.gz VHXNYYFRUVFAPP-LLVKDONJSA-N 0 0 205.257 2.229 10 0 BEAERN CC(=O)C(F)(F)C(=O)Nc1ccccc1C ZINC000584622668 358290882 /nfs/dbraw/zinc/29/08/82/358290882.db2.gz RUKDYBFRYHQGER-UHFFFAOYSA-N 0 0 227.210 2.158 10 0 BEAERN Cc1nc2cc3oc(=O)cc(C)c3cc2[nH]1 ZINC000584624243 358292357 /nfs/dbraw/zinc/29/23/57/358292357.db2.gz LLTZXZKTIMOZDE-UHFFFAOYSA-N 0 0 214.224 2.286 10 0 BEAERN COc1ccccc1-c1csc(=N)n1C ZINC000584625066 358293829 /nfs/dbraw/zinc/29/38/29/358293829.db2.gz DPEMVGGGENTCTR-UHFFFAOYSA-N 0 0 220.297 2.242 10 0 BEAERN OCC1=CCOc2ccc(C(F)(F)F)cc21 ZINC000584626293 358295723 /nfs/dbraw/zinc/29/57/23/358295723.db2.gz PFTAVVCOCACTMA-UHFFFAOYSA-N 0 0 230.185 2.474 10 0 BEAERN CCOC(=O)/C=C/c1cncc(F)c1Cl ZINC000584627620 358297315 /nfs/dbraw/zinc/29/73/15/358297315.db2.gz ZASIFDHGNHZVGB-ONEGZZNKSA-N 0 0 229.638 2.450 10 0 BEAERN Nc1ncc(Br)cc1-c1ccno1 ZINC000584628798 358297909 /nfs/dbraw/zinc/29/79/09/358297909.db2.gz VLFQWJOKRPXSMG-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Cc1ncc(-c2nc(Cl)cnc2N)s1 ZINC000584628602 358298102 /nfs/dbraw/zinc/29/81/02/358298102.db2.gz PBSFEQRTVOKNIS-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN Cc1cc(N2CSCCSC2)no1 ZINC000584629843 358299001 /nfs/dbraw/zinc/29/90/01/358299001.db2.gz YDJOKPCFZCPHAU-UHFFFAOYSA-N 0 0 216.331 2.184 10 0 BEAERN O=C1CC[C@@H]([C@H]2CCc3ccccc3C2)N1 ZINC000584630294 358299658 /nfs/dbraw/zinc/29/96/58/358299658.db2.gz XENQLKWKCQKOLP-STQMWFEESA-N 0 0 215.296 2.070 10 0 BEAERN CSc1nnc2c3ccsc3ncn12 ZINC000584630721 358300742 /nfs/dbraw/zinc/30/07/42/358300742.db2.gz ABVMBVHBCKBOLV-UHFFFAOYSA-N 0 0 222.298 2.061 10 0 BEAERN CCCCC/C(=C/COC(C)=O)CO ZINC000584630854 358301682 /nfs/dbraw/zinc/30/16/82/358301682.db2.gz VPBNYFDNFUOVPC-XFFZJAGNSA-N 0 0 200.278 2.049 10 0 BEAERN CONC(=O)n1cc(C)c2ccccc21 ZINC000584647606 358302255 /nfs/dbraw/zinc/30/22/55/358302255.db2.gz XTYZKKQRIJHYLV-UHFFFAOYSA-N 0 0 204.229 2.069 10 0 BEAERN CN1C(=O)CCC2(C1=O)C1CC3CC(C1)CC2C3 ZINC000584650517 358304955 /nfs/dbraw/zinc/30/49/55/358304955.db2.gz QFKBBXXNEWOWOT-UHFFFAOYSA-N 0 0 247.338 2.208 10 0 BEAERN CCOC(=O)CC(=O)CC[Si](C)(C)C ZINC000584631863 358314101 /nfs/dbraw/zinc/31/41/01/358314101.db2.gz YONPQNHEXVZPSX-UHFFFAOYSA-N 0 0 216.353 2.237 10 0 BEAERN COC(=O)[C@]12CCCC[C@H]1[C@]2(F)Cl ZINC000584657466 358309398 /nfs/dbraw/zinc/30/93/98/358309398.db2.gz KWTQTICRIPUVML-BWVDBABLSA-N 0 0 206.644 2.254 10 0 BEAERN C[C@@H]1CC=CN(S(=O)(=O)c2ccccc2)C1 ZINC000584616589 358281431 /nfs/dbraw/zinc/28/14/31/358281431.db2.gz HLWKZOSBTCZXRD-LLVKDONJSA-N 0 0 237.324 2.231 10 0 BEAERN O=C([O-])[C@@H]1CCC2=C(C1)[NH2+][C@H]1CC=C(F)C=C21 ZINC000584617270 358282103 /nfs/dbraw/zinc/28/21/03/358282103.db2.gz PFUPFRUWNMLWDH-HQJQHLMTSA-N 0 0 235.258 2.281 10 0 BEAERN CCOC(=O)[C@H](C)c1ccc2c(c1)C(=O)CC2 ZINC000584618892 358284749 /nfs/dbraw/zinc/28/47/49/358284749.db2.gz YDKZOWGNDKYEQK-SECBINFHSA-N 0 0 232.279 2.482 10 0 BEAERN O=C(N1C2CC3CC(C2)CC1C3)C(F)(F)F ZINC000584643318 358328656 /nfs/dbraw/zinc/32/86/56/358328656.db2.gz ZQSFUVCYVCJMBZ-UHFFFAOYSA-N 0 0 233.233 2.338 10 0 BEAERN CC(C)(C)C(=O)N=[S@](C)(=O)c1ccccn1 ZINC000584643971 358329105 /nfs/dbraw/zinc/32/91/05/358329105.db2.gz VAMZEHPGPQBWFO-MRXNPFEDSA-N 0 0 240.328 2.111 10 0 BEAERN C[C@@H](c1ccc(Cl)cc1)n1nncc1N ZINC000584645610 358330793 /nfs/dbraw/zinc/33/07/93/358330793.db2.gz ABMGUGJWXMNEAB-ZETCQYMHSA-N 0 0 222.679 2.123 10 0 BEAERN NC(=O)[C@@H]1CCc2c(sc3ccccc32)C1 ZINC000584632079 358314858 /nfs/dbraw/zinc/31/48/58/358314858.db2.gz GUSZCWOEHWBAIK-MRVPVSSYSA-N 0 0 231.320 2.492 10 0 BEAERN CCO[C@H](C)CC(=O)Nc1ccccc1 ZINC000584632163 358314920 /nfs/dbraw/zinc/31/49/20/358314920.db2.gz LHEMRDGTQJLNMA-SNVBAGLBSA-N 0 0 207.273 2.440 10 0 BEAERN Brc1ccc(-c2ccncn2)nc1 ZINC000584634604 358318931 /nfs/dbraw/zinc/31/89/31/358318931.db2.gz QDDAGKKUKBNLHH-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Cc1csc(Br)c1CO ZINC000584635291 358319471 /nfs/dbraw/zinc/31/94/71/358319471.db2.gz RRZBXOSETANGLP-UHFFFAOYSA-N 0 0 207.092 2.311 10 0 BEAERN O=C1CCN(c2cccc(OC(F)F)c2)CC1 ZINC000584636721 358321578 /nfs/dbraw/zinc/32/15/78/358321578.db2.gz PWTJTCFHFMGKKY-UHFFFAOYSA-N 0 0 241.237 2.457 10 0 BEAERN O=NN1CCC(O)(CCc2ccccc2)CC1 ZINC000584636973 358322291 /nfs/dbraw/zinc/32/22/91/358322291.db2.gz PAVSIEJZEKGQJW-UHFFFAOYSA-N 0 0 234.299 2.128 10 0 BEAERN CC(=O)OC1(c2ccccc2)CCN(N=O)CC1 ZINC000584636981 358322295 /nfs/dbraw/zinc/32/22/95/358322295.db2.gz POSPSGJQRNULNU-UHFFFAOYSA-N 0 0 248.282 2.222 10 0 BEAERN CC(C)CNC(=S)c1snc(N)c1Cl ZINC000584638667 358324630 /nfs/dbraw/zinc/32/46/30/358324630.db2.gz KKZROQGLHXVCON-UHFFFAOYSA-N 0 0 249.792 2.130 10 0 BEAERN O=C([O-])[C@@H]1CC2(CC[NH2+]CC2)[C@@H]2CCCC[C@@H]12 ZINC000584643032 358327891 /nfs/dbraw/zinc/32/78/91/358327891.db2.gz FXDXIKJJOMGLTP-QJPTWQEYSA-N 0 0 237.343 2.267 10 0 BEAERN O=C(c1ccccc1)N1C(=O)Cc2ccccc21 ZINC000001761272 358446321 /nfs/dbraw/zinc/44/63/21/358446321.db2.gz PZLOEWPWHWLNOZ-UHFFFAOYSA-N 0 0 237.258 2.416 10 0 BEAERN NC(=O)c1ccc(Cl)c(NCC2CC2)c1 ZINC000036943542 181297809 /nfs/dbraw/zinc/29/78/09/181297809.db2.gz IEMZTJKATUWDRL-UHFFFAOYSA-N 0 0 224.691 2.261 10 0 BEAERN CC(C)n1nnnc1CN1CCC2(CCCC2)C1 ZINC000174269144 134279821 /nfs/dbraw/zinc/27/98/21/134279821.db2.gz ZMTQEOFOLHCOTH-UHFFFAOYSA-N 0 0 249.362 2.020 10 0 BEAERN CCCn1nccc1NC(=O)NCC(C)C ZINC000043723010 358542360 /nfs/dbraw/zinc/54/23/60/358542360.db2.gz OZTVPIKUXPPVIF-UHFFFAOYSA-N 0 0 224.308 2.071 10 0 BEAERN CCOC(=O)[C@H](F)c1cccc(F)c1 ZINC000086242896 358528811 /nfs/dbraw/zinc/52/88/11/358528811.db2.gz GXCQSFJXXPRQLU-SECBINFHSA-N 0 0 200.184 2.399 10 0 BEAERN CCC[C@H](C)CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000130295044 358616705 /nfs/dbraw/zinc/61/67/05/358616705.db2.gz RXVOBCLMKPZDKL-SRVKXCTJSA-N 0 0 227.348 2.449 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000130582308 358632659 /nfs/dbraw/zinc/63/26/59/358632659.db2.gz RRDOWWPPVMMIAD-QJPTWQEYSA-N 0 0 225.332 2.203 10 0 BEAERN CCCCCC(=O)N[C@H]1CCCCC[C@H]1O ZINC000130881767 358650671 /nfs/dbraw/zinc/65/06/71/358650671.db2.gz NHHGHXFPWCRYRU-NWDGAFQWSA-N 0 0 227.348 2.377 10 0 BEAERN CC(C)Cn1ccnc1CNC(=O)C(C)(C)C ZINC000131234929 358666049 /nfs/dbraw/zinc/66/60/49/358666049.db2.gz PPQFFLXZFNVVNP-UHFFFAOYSA-N 0 0 237.347 2.201 10 0 BEAERN CC(C)CNC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000049268830 358678655 /nfs/dbraw/zinc/67/86/55/358678655.db2.gz SBPYAXMPSPWIOM-STQMWFEESA-N 0 0 232.327 2.498 10 0 BEAERN CCCc1noc(COc2ccc(O)cc2)n1 ZINC000049339098 358683477 /nfs/dbraw/zinc/68/34/77/358683477.db2.gz AATROQZIXCVZEY-UHFFFAOYSA-N 0 0 234.255 2.307 10 0 BEAERN CC[C@@H](C)C[S@](=O)CC(=O)NC(C)(C)CC ZINC000131789557 358692381 /nfs/dbraw/zinc/69/23/81/358692381.db2.gz KVUNMYHUDZLJAZ-QLJPJBMISA-N 0 0 247.404 2.086 10 0 BEAERN Cc1ccc([C@H]2CN(C(=O)C(C)C)CCO2)o1 ZINC000133812288 358770488 /nfs/dbraw/zinc/77/04/88/358770488.db2.gz RIGPEHJOEPQODO-GFCCVEGCSA-N 0 0 237.299 2.144 10 0 BEAERN CCC[C@H](C)CC(=O)N(C)C[C@H]1CCCO1 ZINC000133388176 358752611 /nfs/dbraw/zinc/75/26/11/358752611.db2.gz LMEFWRMJPCCZOQ-NWDGAFQWSA-N 0 0 227.348 2.450 10 0 BEAERN CC[C@@H](C)C[S@](=O)Cc1nccn1CC ZINC000133723471 358766598 /nfs/dbraw/zinc/76/65/98/358766598.db2.gz SFNLSPLKACNRMV-MEBBXXQBSA-N 0 0 228.361 2.198 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000132434474 358723127 /nfs/dbraw/zinc/72/31/27/358723127.db2.gz NXHUMKOXFNJULY-LLVKDONJSA-N 0 0 249.358 2.140 10 0 BEAERN Cc1cccc(C(=O)NCc2cscn2)c1 ZINC000050407516 358729351 /nfs/dbraw/zinc/72/93/51/358729351.db2.gz CBNYFSQWVSKDHT-UHFFFAOYSA-N 0 0 232.308 2.382 10 0 BEAERN Cc1ccccc1CC(=O)NCc1cscn1 ZINC000050407718 358729424 /nfs/dbraw/zinc/72/94/24/358729424.db2.gz HGCLLQDMYUNXSN-UHFFFAOYSA-N 0 0 246.335 2.310 10 0 BEAERN COc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1O ZINC000134989244 358814787 /nfs/dbraw/zinc/81/47/87/358814787.db2.gz JSAVFSWUZRTKMM-UWVGGRQHSA-N 0 0 249.310 2.271 10 0 BEAERN COc1cccc(F)c1[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000135146270 358821941 /nfs/dbraw/zinc/82/19/41/358821941.db2.gz VIAAQOOLMWWWGB-NXEZZACHSA-N 0 0 241.306 2.256 10 0 BEAERN CC[C@@H](C)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134247686 358784512 /nfs/dbraw/zinc/78/45/12/358784512.db2.gz SIZUSJXBQALHPY-ZJUUUORDSA-N 0 0 235.331 2.087 10 0 BEAERN CC(C)c1cc(N2CCC[C@H]2CCCO)ncn1 ZINC000052761581 358792657 /nfs/dbraw/zinc/79/26/57/358792657.db2.gz UDYVLTSXWRBQAF-LBPRGKRZSA-N 0 0 249.358 2.341 10 0 BEAERN C[S@](=O)CCCNc1ccc2ccccc2n1 ZINC000134710501 358802720 /nfs/dbraw/zinc/80/27/20/358802720.db2.gz NBDIFVCQFDLSIW-QGZVFWFLSA-N 0 0 248.351 2.415 10 0 BEAERN Cc1occc1C(=O)N[C@@H]1COc2ccccc21 ZINC000058727366 358913584 /nfs/dbraw/zinc/91/35/84/358913584.db2.gz DCXGHBSUBURCKB-GFCCVEGCSA-N 0 0 243.262 2.452 10 0 BEAERN O=C(c1ccsn1)[C@H]1CSCCS1 ZINC000306152344 358914635 /nfs/dbraw/zinc/91/46/35/358914635.db2.gz ACXBSSPODXXKGK-SSDOTTSWSA-N 0 0 231.367 2.174 10 0 BEAERN COc1ccccc1C[C@@H]1CCCN1C(C)=O ZINC000058987383 358917277 /nfs/dbraw/zinc/91/72/77/358917277.db2.gz QLEXWHRXZJQBIP-ZDUSSCGKSA-N 0 0 233.311 2.249 10 0 BEAERN CCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000054909170 358878322 /nfs/dbraw/zinc/87/83/22/358878322.db2.gz TYQIYSSDUCZWSJ-MRVPVSSYSA-N 0 0 221.256 2.003 10 0 BEAERN C[C@@H](CO)[C@H](C)Nc1csc(Cl)n1 ZINC000306151938 358917701 /nfs/dbraw/zinc/91/77/01/358917701.db2.gz HWUNTKASQWWJKL-WDSKDSINSA-N 0 0 220.725 2.225 10 0 BEAERN C[C@@H]1OCC[C@H]1S[C@@H]1CCCC1=O ZINC000300338497 358963158 /nfs/dbraw/zinc/96/31/58/358963158.db2.gz RLFCRTNXRCYYCN-FXBDTBDDSA-N 0 0 200.303 2.019 10 0 BEAERN C[C@H](CO)Nc1cc(F)ccc1Cl ZINC000306165373 358974201 /nfs/dbraw/zinc/97/42/01/358974201.db2.gz BOBYFCQNXIMNPE-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN Cc1c(N)c(C=O)ccc1Br ZINC000130193163 358929901 /nfs/dbraw/zinc/92/99/01/358929901.db2.gz UHLFZIJTRPZGBS-UHFFFAOYSA-N 0 0 214.062 2.152 10 0 BEAERN C[C@@H](CO)Sc1ccc(N)c(Cl)c1 ZINC000306156056 358947332 /nfs/dbraw/zinc/94/73/32/358947332.db2.gz IRCWOTDUFZZPNJ-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN COc1ncc([C@@H]2NC[C@H](C)CS2)s1 ZINC000306158100 358952991 /nfs/dbraw/zinc/95/29/91/358952991.db2.gz DECCUPOPWKMGFQ-POYBYMJQSA-N 0 0 230.358 2.123 10 0 BEAERN Nc1cc(F)c(Cl)cc1N1CCC1 ZINC000306197988 359026478 /nfs/dbraw/zinc/02/64/78/359026478.db2.gz OUUVXFHSDSQFTA-UHFFFAOYSA-N 0 0 200.644 2.271 10 0 BEAERN C[C@@H]1[C@H](C)C(=O)CCN1OCc1ccccc1 ZINC000306173063 358980216 /nfs/dbraw/zinc/98/02/16/358980216.db2.gz LHUQGKJUQCKCLD-NWDGAFQWSA-N 0 0 233.311 2.418 10 0 BEAERN C[C@H]1C(=O)CCN(OCc2ccccc2)[C@H]1C ZINC000306173059 358980348 /nfs/dbraw/zinc/98/03/48/358980348.db2.gz LHUQGKJUQCKCLD-NEPJUHHUSA-N 0 0 233.311 2.418 10 0 BEAERN CO[C@H]1CC[C@H](Nc2cnnc(Cl)c2)C1 ZINC000300385711 358981215 /nfs/dbraw/zinc/98/12/15/358981215.db2.gz KPIWMOCXVZNOAK-CBAPKCEASA-N 0 0 227.695 2.109 10 0 BEAERN Cc1ccc(Cl)c([C@H](O)[C@H](C)O)c1 ZINC000306175700 358982432 /nfs/dbraw/zinc/98/24/32/358982432.db2.gz NDEJINCQMTZJDX-OIBJUYFYSA-N 0 0 200.665 2.063 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000306174706 358983494 /nfs/dbraw/zinc/98/34/94/358983494.db2.gz BZNCZONABVTDBM-NTSWFWBYSA-N 0 0 218.709 2.122 10 0 BEAERN COC(C)(C)[C@@](C)(O)c1cc(C)ns1 ZINC000306178233 358987809 /nfs/dbraw/zinc/98/78/09/358987809.db2.gz HGBGXPNZXZHDRT-JTQLQIEISA-N 0 0 215.318 2.084 10 0 BEAERN NC(=S)c1sc(NCC2CC2)nc1Cl ZINC000306178773 358990968 /nfs/dbraw/zinc/99/09/68/358990968.db2.gz HSCFAGMNRUXIJF-UHFFFAOYSA-N 0 0 247.776 2.253 10 0 BEAERN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC000247134992 359196682 /nfs/dbraw/zinc/19/66/82/359196682.db2.gz XMXHCFBBMRQSAV-IJLUTSLNSA-N 0 0 227.348 2.354 10 0 BEAERN CC(C)(O)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000075237740 359139996 /nfs/dbraw/zinc/13/99/96/359139996.db2.gz LMDHFLQJROPAIE-VXGBXAGGSA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)(O)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000075237741 359140206 /nfs/dbraw/zinc/14/02/06/359140206.db2.gz LMDHFLQJROPAIE-NEPJUHHUSA-N 0 0 239.359 2.090 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246691285 359156999 /nfs/dbraw/zinc/15/69/99/359156999.db2.gz HUDOBUCZXBUIDN-XQQFMLRXSA-N 0 0 239.359 2.449 10 0 BEAERN CC(=O)CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000246737627 359159641 /nfs/dbraw/zinc/15/96/41/359159641.db2.gz WJILWFNXMSEQHH-DZGCQCFKSA-N 0 0 247.338 2.428 10 0 BEAERN CCC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247527714 359231497 /nfs/dbraw/zinc/23/14/97/359231497.db2.gz XGBNUFBLPAXUHJ-XQQFMLRXSA-N 0 0 238.375 2.118 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000247324232 359212617 /nfs/dbraw/zinc/21/26/17/359212617.db2.gz ITYGCAQTEMVMEU-QJPTWQEYSA-N 0 0 249.310 2.275 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ccncc2Cl)C1 ZINC000308891913 491139799 /nfs/dbraw/zinc/13/97/99/491139799.db2.gz XHXTXAJMFIUEDK-BDAKNGLRSA-N 0 0 226.707 2.450 10 0 BEAERN O[C@H](c1ccsn1)[C@H]1CCCCS1 ZINC000306205815 359294725 /nfs/dbraw/zinc/29/47/25/359294725.db2.gz PBZVRNDDMVWOHA-RKDXNWHRSA-N 0 0 215.343 2.462 10 0 BEAERN CC(F)(F)c1nc2sccc2c(N)n1 ZINC000306205252 359297160 /nfs/dbraw/zinc/29/71/60/359297160.db2.gz OGFYXGLQYXUZTO-UHFFFAOYSA-N 0 0 215.228 2.385 10 0 BEAERN Cc1ncc([C@@H]2NC[C@@H](C)S2)s1 ZINC000306207675 359299064 /nfs/dbraw/zinc/29/90/64/359299064.db2.gz JKAOICKTBNGCLO-SVGQVSJJSA-N 0 0 200.332 2.175 10 0 BEAERN COc1ccc2c(Cl)ncnc2c1F ZINC000306210446 359303126 /nfs/dbraw/zinc/30/31/26/359303126.db2.gz OMKZSYOUHFHBPY-UHFFFAOYSA-N 0 0 212.611 2.431 10 0 BEAERN CCc1nc([C@H](O)c2ccc[nH]2)cs1 ZINC000306211846 359305537 /nfs/dbraw/zinc/30/55/37/359305537.db2.gz UYTMROZARUUJDA-SNVBAGLBSA-N 0 0 208.286 2.115 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248331285 359264133 /nfs/dbraw/zinc/26/41/33/359264133.db2.gz DXXZZPCALUILBL-HEQLZXTPSA-N 0 0 243.306 2.282 10 0 BEAERN CC(C)c1nnc(CN2CC[C@H](C)[C@@H]2C)n1C ZINC000248344927 359267441 /nfs/dbraw/zinc/26/74/41/359267441.db2.gz MEASPWXXJKNZON-QWRGUYRKSA-N 0 0 236.363 2.169 10 0 BEAERN CC1(C(=O)O[C@H]2CCCSC2)CC1 ZINC000306225334 359355667 /nfs/dbraw/zinc/35/56/67/359355667.db2.gz FDDYRIJZPBHBAG-QMMMGPOBSA-N 0 0 200.303 2.225 10 0 BEAERN C[S@](=O)Cc1cc(Cl)cc(Cl)c1N ZINC000306228190 359362527 /nfs/dbraw/zinc/36/25/27/359362527.db2.gz HXVRGERNKIBNAT-ZDUSSCGKSA-N 0 0 238.139 2.454 10 0 BEAERN Clc1cc(N[C@H]2CCCOCC2)cnn1 ZINC000306218378 359335886 /nfs/dbraw/zinc/33/58/86/359335886.db2.gz ROJPUMJLFQSYPB-QMMMGPOBSA-N 0 0 227.695 2.111 10 0 BEAERN C[C@H]1CC(=O)CCN1OCc1ccccc1 ZINC000306220261 359340060 /nfs/dbraw/zinc/34/00/60/359340060.db2.gz USTXCFJTRZFGTO-NSHDSACASA-N 0 0 219.284 2.172 10 0 BEAERN CC[C@@](C)(C(C)=O)N1CCC(F)(F)C1 ZINC000306245044 359432803 /nfs/dbraw/zinc/43/28/03/359432803.db2.gz UTAQQOWPLJTJNQ-VIFPVBQESA-N 0 0 205.248 2.085 10 0 BEAERN C[C@@H]1CC[C@H]1Nc1nc(Cl)ncc1F ZINC000306233837 359395480 /nfs/dbraw/zinc/39/54/80/359395480.db2.gz MSOBBMPWZLPTFX-IYSWYEEDSA-N 0 0 215.659 2.480 10 0 BEAERN CC(C)[C@H](O)C[C@]1(C)CCC[C@]1(C)O ZINC000306237313 359399436 /nfs/dbraw/zinc/39/94/36/359399436.db2.gz OPTRHHGCYSUPKG-WOPDTQHZSA-N 0 0 200.322 2.335 10 0 BEAERN O=C1OC[C@@H](SC[C@@H]2CC2(Cl)Cl)O1 ZINC000306252397 359460416 /nfs/dbraw/zinc/46/04/16/359460416.db2.gz VIRLTLCQTGDGAN-CRCLSJGQSA-N 0 0 243.111 2.406 10 0 BEAERN O=C1OC[C@H](SC[C@H]2CC2(Cl)Cl)O1 ZINC000306252399 359460468 /nfs/dbraw/zinc/46/04/68/359460468.db2.gz VIRLTLCQTGDGAN-UHNVWZDZSA-N 0 0 243.111 2.406 10 0 BEAERN Clc1ccc(NCC2OCCO2)cc1 ZINC000306256828 359471772 /nfs/dbraw/zinc/47/17/72/359471772.db2.gz XGXWAILHJXILDF-UHFFFAOYSA-N 0 0 213.664 2.125 10 0 BEAERN C[C@H]1CC[C@H]1Nc1nsnc1Cl ZINC000306273859 359504898 /nfs/dbraw/zinc/50/48/98/359504898.db2.gz AFEXTPZJFPQIKM-CRCLSJGQSA-N 0 0 203.698 2.402 10 0 BEAERN CCNC(=O)C1(Br)CCCCC1 ZINC000306284713 359518448 /nfs/dbraw/zinc/51/84/48/359518448.db2.gz JQEMSPISCLAEJZ-UHFFFAOYSA-N 0 0 234.137 2.220 10 0 BEAERN NC(=O)Oc1c(Cl)cc(N)cc1Cl ZINC000306289038 359522779 /nfs/dbraw/zinc/52/27/79/359522779.db2.gz NTUPARXXRMBQGE-UHFFFAOYSA-N 0 0 221.043 2.033 10 0 BEAERN CCNC(=O)N1CCC(Cl)=C(Cl)C1 ZINC000306262323 359483101 /nfs/dbraw/zinc/48/31/01/359483101.db2.gz XHHYSVBUOIQXSN-UHFFFAOYSA-N 0 0 223.103 2.111 10 0 BEAERN O[C@H](c1ccsc1Cl)[C@@H]1CCOC1 ZINC000306299156 359546108 /nfs/dbraw/zinc/54/61/08/359546108.db2.gz DVJUOEYHFSKUQH-SVRRBLITSA-N 0 0 218.705 2.471 10 0 BEAERN O=C1N[C@H](c2ccsc2Cl)CO1 ZINC000306325500 359609289 /nfs/dbraw/zinc/60/92/89/359609289.db2.gz HKVFRJXWXLBBAS-YFKPBYRVSA-N 0 0 203.650 2.182 10 0 BEAERN C[C@H](CC(F)F)Nc1cc(F)ncn1 ZINC000306342477 359662121 /nfs/dbraw/zinc/66/21/21/359662121.db2.gz KDBOWLKKXVUZCG-RXMQYKEDSA-N 0 0 205.183 2.071 10 0 BEAERN CC[C@H](NC(=O)c1cc[nH]c1)c1nccs1 ZINC000130371885 359672954 /nfs/dbraw/zinc/67/29/54/359672954.db2.gz LVIBFRJTLXKTKN-VIFPVBQESA-N 0 0 235.312 2.352 10 0 BEAERN Cc1n[nH]c(C)c1N[C@@H]1CSC[C@H]1C ZINC000306351268 359679451 /nfs/dbraw/zinc/67/94/51/359679451.db2.gz XDYZZOKWHJXIFW-HZGVNTEJSA-N 0 0 211.334 2.190 10 0 BEAERN Cc1n[nH]c(C)c1N[C@@H]1CSC[C@@H]1C ZINC000306351269 359679534 /nfs/dbraw/zinc/67/95/34/359679534.db2.gz XDYZZOKWHJXIFW-IMTBSYHQSA-N 0 0 211.334 2.190 10 0 BEAERN CCOCc1nc2c(ncnc2Cl)s1 ZINC000306353840 359680538 /nfs/dbraw/zinc/68/05/38/359680538.db2.gz QLIPLYUHBWBOJT-UHFFFAOYSA-N 0 0 229.692 2.276 10 0 BEAERN CSC[C@@H](O)c1cccc(F)c1F ZINC000069640643 359690520 /nfs/dbraw/zinc/69/05/20/359690520.db2.gz RRIIDSFLDBMESC-MRVPVSSYSA-N 0 0 204.241 2.361 10 0 BEAERN Fc1ccc(OCc2ccncc2)cn1 ZINC000169197935 359749934 /nfs/dbraw/zinc/74/99/34/359749934.db2.gz GMTIGCDHNYNKJD-UHFFFAOYSA-N 0 0 204.204 2.195 10 0 BEAERN Cc1cccc(CNC(=O)C[C@@H]2C=CCC2)n1 ZINC000130391473 359723303 /nfs/dbraw/zinc/72/33/03/359723303.db2.gz YJQJRWDKJUWEPQ-GFCCVEGCSA-N 0 0 230.311 2.363 10 0 BEAERN COc1ccc([C@H](C)NC(=O)C2CC2)c(OC)c1 ZINC000045241071 359728777 /nfs/dbraw/zinc/72/87/77/359728777.db2.gz WBPQAJLWPCCCMS-VIFPVBQESA-N 0 0 249.310 2.291 10 0 BEAERN CCNc1nc(C)nc(NCc2ccccc2)n1 ZINC000224476124 359741052 /nfs/dbraw/zinc/74/10/52/359741052.db2.gz ZNOOAWWLCLKNRD-UHFFFAOYSA-N 0 0 243.314 2.224 10 0 BEAERN Cc1csc(N[C@H]2CCC[C@H]2CO)n1 ZINC000231323009 359776965 /nfs/dbraw/zinc/77/69/65/359776965.db2.gz DJHDKEXBUIAJIR-IUCAKERBSA-N 0 0 212.318 2.024 10 0 BEAERN Nc1nccc(-c2ccsc2Cl)n1 ZINC000306412310 359821444 /nfs/dbraw/zinc/82/14/44/359821444.db2.gz QIFKAHLTLAXGSO-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1ccc(Cl)nc1N[C@H]1CCSC1 ZINC000231344109 359858475 /nfs/dbraw/zinc/85/84/75/359858475.db2.gz FNIFIOCLOVGNKZ-LURJTMIESA-N 0 0 229.736 2.235 10 0 BEAERN C[C@H]1CC[C@]1(CC(=O)[O-])[NH+]1CCCCC1 ZINC000306446532 360010619 /nfs/dbraw/zinc/01/06/19/360010619.db2.gz VBRXWWMTXMMLPK-CMPLNLGQSA-N 0 0 211.305 2.116 10 0 BEAERN O=C(CC1CCCCC1)NC[C@H]1CCC[C@H]1O ZINC000089160238 359996068 /nfs/dbraw/zinc/99/60/68/359996068.db2.gz ZBUQNYWFSSFLBG-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN O=C(CC1=CCCCC1)NC[C@H]1CCC[C@H]1O ZINC000089163135 359996932 /nfs/dbraw/zinc/99/69/32/359996932.db2.gz SAYZYYOFIRBSJA-CHWSQXEVSA-N 0 0 237.343 2.154 10 0 BEAERN N[C@@H](c1ccco1)c1cncc(Cl)c1 ZINC000306472605 360099838 /nfs/dbraw/zinc/09/98/38/360099838.db2.gz CJQWPNAHOWZJBL-SNVBAGLBSA-N 0 0 208.648 2.376 10 0 BEAERN Cc1nc2c(cc(Br)cc2N)o1 ZINC000306459072 360055957 /nfs/dbraw/zinc/05/59/57/360055957.db2.gz DLRIWXJLPJXQIF-UHFFFAOYSA-N 0 0 227.061 2.481 10 0 BEAERN CC(C)[C@H](O)[C@@H](O)c1ccsc1Cl ZINC000306463146 360074630 /nfs/dbraw/zinc/07/46/30/360074630.db2.gz IBTZQWNFZBLSTE-YUMQZZPRSA-N 0 0 220.721 2.452 10 0 BEAERN CC1(C[C@H](O)[C@H]2CSCCO2)CCC1 ZINC000306469314 360081738 /nfs/dbraw/zinc/08/17/38/360081738.db2.gz PEOVWZRFQLLICD-VHSXEESVSA-N 0 0 216.346 2.060 10 0 BEAERN COc1cc([C@](C)(O)[C@@H]2C[C@H]2C)sn1 ZINC000306482766 360151106 /nfs/dbraw/zinc/15/11/06/360151106.db2.gz KYPSZFIWFDAQTJ-BRDIYROLSA-N 0 0 213.302 2.015 10 0 BEAERN O[C@H](c1ccsn1)c1cncc(Cl)c1 ZINC000306474560 360112840 /nfs/dbraw/zinc/11/28/40/360112840.db2.gz GKMHLKPZTGNYDY-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN CC[C@H](Nc1cncc(C(=O)OC)n1)C(C)C ZINC000091417523 360114830 /nfs/dbraw/zinc/11/48/30/360114830.db2.gz LGUHACROEVHDLH-VIFPVBQESA-N 0 0 237.303 2.110 10 0 BEAERN O[C@H](c1ccc(Br)o1)C1=COCC1 ZINC000306475453 360116246 /nfs/dbraw/zinc/11/62/46/360116246.db2.gz HOXDFFKTXIDMIU-VIFPVBQESA-N 0 0 245.072 2.380 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)COC3)O1 ZINC000091673735 360124197 /nfs/dbraw/zinc/12/41/97/360124197.db2.gz FJIVZRPFGXQRSZ-NOZJJQNGSA-N 0 0 247.294 2.223 10 0 BEAERN OC[C@@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306487616 360170975 /nfs/dbraw/zinc/17/09/75/360170975.db2.gz UEOGZASYOOTFIN-WDSKDSINSA-N 0 0 219.693 2.009 10 0 BEAERN O[C@H](c1ccoc1Cl)C1=COCC1 ZINC000306488886 360190399 /nfs/dbraw/zinc/19/03/99/360190399.db2.gz VVNBTSNWQCRKBK-QMMMGPOBSA-N 0 0 200.621 2.271 10 0 BEAERN C[C@H]1CC[C@H](Cn2ccc(Cl)n2)O1 ZINC000306490693 360206332 /nfs/dbraw/zinc/20/63/32/360206332.db2.gz VKGGJIZAFPXWPI-JGVFFNPUSA-N 0 0 200.669 2.104 10 0 BEAERN Brc1cscc1[C@@H]1COCCN1 ZINC000237974346 360210072 /nfs/dbraw/zinc/21/00/72/360210072.db2.gz DOJHVMVBMOHGIB-QMMMGPOBSA-N 0 0 248.145 2.172 10 0 BEAERN COc1ncc([C@H](O)c2ccsc2)s1 ZINC000306492570 360219961 /nfs/dbraw/zinc/21/99/61/360219961.db2.gz QFYJHXSUBRAOIJ-MRVPVSSYSA-N 0 0 227.310 2.295 10 0 BEAERN COc1ncc([C@@H](O)c2ccsc2)s1 ZINC000306492571 360220270 /nfs/dbraw/zinc/22/02/70/360220270.db2.gz QFYJHXSUBRAOIJ-QMMMGPOBSA-N 0 0 227.310 2.295 10 0 BEAERN Cc1c(CNc2ccc3n[nH]cc3c2)cnn1C ZINC000093649588 360266538 /nfs/dbraw/zinc/26/65/38/360266538.db2.gz FGAVQDXQHAANSO-UHFFFAOYSA-N 0 0 241.298 2.217 10 0 BEAERN C[C@@H]1CCSCCN1c1ccc(C=O)o1 ZINC000306513733 360338114 /nfs/dbraw/zinc/33/81/14/360338114.db2.gz AXSAAMHNBYMVHQ-SECBINFHSA-N 0 0 225.313 2.424 10 0 BEAERN CC(=O)NOCc1ccccc1Br ZINC000306516151 360343780 /nfs/dbraw/zinc/34/37/80/360343780.db2.gz AZESYNIEUTXFOB-UHFFFAOYSA-N 0 0 244.088 2.017 10 0 BEAERN NC(=O)c1ccc(Oc2cccc(N)c2)c(F)c1 ZINC000038056531 181300876 /nfs/dbraw/zinc/30/08/76/181300876.db2.gz MTMWLCMXACXLIS-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN CC(=O)c1sc(-c2cn(C)cn2)nc1C ZINC000306508626 360325181 /nfs/dbraw/zinc/32/51/81/360325181.db2.gz AMHWJDAXTRUYBD-UHFFFAOYSA-N 0 0 221.285 2.055 10 0 BEAERN [NH3+][C@@H](c1ncc(Cl)s1)C1(C(=O)[O-])CCC1 ZINC000306524660 360369438 /nfs/dbraw/zinc/36/94/38/360369438.db2.gz ZMRHUYVNYUNXLT-LURJTMIESA-N 0 0 246.719 2.051 10 0 BEAERN Cc1cc(Cn2ccnc(Cl)c2=O)cs1 ZINC000306524561 360369797 /nfs/dbraw/zinc/36/97/97/360369797.db2.gz YUJRKYVTSLDPCA-UHFFFAOYSA-N 0 0 240.715 2.315 10 0 BEAERN Cc1ncc([C@@H]2NCCCS2)s1 ZINC000306528644 360377756 /nfs/dbraw/zinc/37/77/56/360377756.db2.gz HJJRKRANSUGZFV-MRVPVSSYSA-N 0 0 200.332 2.177 10 0 BEAERN OCc1csc(OCc2ccccc2)n1 ZINC000306533046 360394614 /nfs/dbraw/zinc/39/46/14/360394614.db2.gz CELPOHNTEKJVBO-UHFFFAOYSA-N 0 0 221.281 2.214 10 0 BEAERN C[C@@H]1CCN(c2ncc(C=O)s2)CCS1 ZINC000306564294 360442772 /nfs/dbraw/zinc/44/27/72/360442772.db2.gz QDIZUXRHSLLEGI-MRVPVSSYSA-N 0 0 242.369 2.287 10 0 BEAERN Cc1nc(-c2ccc(N)nc2C)cs1 ZINC000306565185 360443487 /nfs/dbraw/zinc/44/34/87/360443487.db2.gz XOQFWHHPEJTOIA-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN C[C@@H]1C[C@H](n2ccc(=O)[nH]c2=S)CS1 ZINC000306565622 360443587 /nfs/dbraw/zinc/44/35/87/360443587.db2.gz FOMCUEZNVCMFLX-RQJHMYQMSA-N 0 0 228.342 2.385 10 0 BEAERN Cc1cc([C@@H](O)c2ccc(C)o2)sn1 ZINC000306566805 360447181 /nfs/dbraw/zinc/44/71/81/360447181.db2.gz ZAQGHVKFHQZHNH-JTQLQIEISA-N 0 0 209.270 2.435 10 0 BEAERN Cc1cc(C(=O)c2scnc2C)sn1 ZINC000306537527 360403053 /nfs/dbraw/zinc/40/30/53/360403053.db2.gz ITUSGJQTQUHMFE-UHFFFAOYSA-N 0 0 224.310 2.447 10 0 BEAERN Cc1nccnc1N[C@H](C)C(F)(F)F ZINC000306538317 360404508 /nfs/dbraw/zinc/40/45/08/360404508.db2.gz JPWJKEZIBAQPNB-ZCFIWIBFSA-N 0 0 205.183 2.148 10 0 BEAERN Nc1nn(Cc2cccs2)cc1Cl ZINC000069759811 360408178 /nfs/dbraw/zinc/40/81/78/360408178.db2.gz GHAXBIKPCIRAJT-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN C[C@@H]1CSCCN1c1ccc(C=O)o1 ZINC000069761084 360409477 /nfs/dbraw/zinc/40/94/77/360409477.db2.gz KYDBAMDZNBIAKM-MRVPVSSYSA-N 0 0 211.286 2.034 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)c(C)c1 ZINC000614147732 363734427 /nfs/dbraw/zinc/73/44/27/363734427.db2.gz ZFXWEORYBJWXPC-OLZOCXBDSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)s1 ZINC000614146382 363734819 /nfs/dbraw/zinc/73/48/19/363734819.db2.gz ZOFTUWCPUXXZNW-NXEZZACHSA-N 0 0 239.340 2.090 10 0 BEAERN CC[C@@H](NC(=O)c1ccon1)c1nccs1 ZINC000130428678 360419635 /nfs/dbraw/zinc/41/96/35/360419635.db2.gz IFQJMTUIMVNOKK-SSDOTTSWSA-N 0 0 237.284 2.012 10 0 BEAERN OCc1ccn(CC2CC(F)(F)C2)c1 ZINC000306554552 360427714 /nfs/dbraw/zinc/42/77/14/360427714.db2.gz HCBWKBQNWSRHOX-UHFFFAOYSA-N 0 0 201.216 2.026 10 0 BEAERN C[C@@H](NC1=N[C@H](C)CCS1)C(F)(F)F ZINC000306559587 360433947 /nfs/dbraw/zinc/43/39/47/360433947.db2.gz QQXDYRCOPHWKIC-PHDIDXHHSA-N 0 0 226.267 2.408 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CSC[C@H]1C ZINC000306581175 360479148 /nfs/dbraw/zinc/47/91/48/360479148.db2.gz OKLBUPLWRDVDOD-VDTYLAMSSA-N 0 0 217.725 2.164 10 0 BEAERN CC(=O)c1nc(-n2cc(Cl)cn2)cs1 ZINC000306584670 360484921 /nfs/dbraw/zinc/48/49/21/360484921.db2.gz RXNOIYFVBVBUKC-UHFFFAOYSA-N 0 0 227.676 2.185 10 0 BEAERN CCCc1ncc(N)c(C(F)(F)F)n1 ZINC000300753293 360454915 /nfs/dbraw/zinc/45/49/15/360454915.db2.gz SJCYNMKHUAWDIL-UHFFFAOYSA-N 0 0 205.183 2.030 10 0 BEAERN C[C@H]1CCN(Cc2cc(Cl)ccn2)C1=O ZINC000306574345 360463290 /nfs/dbraw/zinc/46/32/90/360463290.db2.gz IPTGNRINLOCKPY-QMMMGPOBSA-N 0 0 224.691 2.103 10 0 BEAERN CC(C)NC(=S)N[C@H](C)[C@H]1CC1(C)C ZINC000306578106 360466330 /nfs/dbraw/zinc/46/63/30/360466330.db2.gz LUSXGAQISQHGQK-RKDXNWHRSA-N 0 0 214.378 2.294 10 0 BEAERN CC[S@@](C)(=O)=Nc1cc(F)ccc1N ZINC000306598886 360519856 /nfs/dbraw/zinc/51/98/56/360519856.db2.gz GRHZYEVLZSPTID-CQSZACIVSA-N 0 0 216.281 2.157 10 0 BEAERN C[C@@H]1COCC[C@H]1Nc1ccnc(F)c1 ZINC000300821328 360522901 /nfs/dbraw/zinc/52/29/01/360522901.db2.gz BKJDZOHHDRTLIN-PSASIEDQSA-N 0 0 210.252 2.058 10 0 BEAERN C[C@H]1COCC[C@H]1Nc1ccnc(F)c1 ZINC000300821335 360522941 /nfs/dbraw/zinc/52/29/41/360522941.db2.gz BKJDZOHHDRTLIN-WCBMZHEXSA-N 0 0 210.252 2.058 10 0 BEAERN O=C(c1cnccn1)[C@H]1CCC(F)(F)C1 ZINC000300827438 360523810 /nfs/dbraw/zinc/52/38/10/360523810.db2.gz DWHUIOIBQSYKCI-ZETCQYMHSA-N 0 0 212.199 2.095 10 0 BEAERN O=C(OC1COC1)c1cc(Cl)ccc1F ZINC000161073012 360501797 /nfs/dbraw/zinc/50/17/97/360501797.db2.gz JKQMANBNYGKEOF-UHFFFAOYSA-N 0 0 230.622 2.035 10 0 BEAERN OC1(C[C@@H]2CCCC2(F)F)CSC1 ZINC000306595031 360512737 /nfs/dbraw/zinc/51/27/37/360512737.db2.gz XRAOZBTVXJECLB-ZETCQYMHSA-N 0 0 208.273 2.290 10 0 BEAERN COc1cc2c(cc1C)[nH]c(=S)n2C ZINC000306598489 360518164 /nfs/dbraw/zinc/51/81/64/360518164.db2.gz PTCAPTYJLGAARU-UHFFFAOYSA-N 0 0 208.286 2.179 10 0 BEAERN C[C@@H]1CC[C@@H](c2nsc(Cl)n2)O1 ZINC000306609171 360587873 /nfs/dbraw/zinc/58/78/73/360587873.db2.gz JXKCYPVEXUKXKV-UHNVWZDZSA-N 0 0 204.682 2.432 10 0 BEAERN CCOC(=O)[C@@H](C(=O)CC)c1ccccc1 ZINC000079520987 370669475 /nfs/dbraw/zinc/66/94/75/370669475.db2.gz BHZOYDWMQNKDNV-GFCCVEGCSA-N 0 0 220.268 2.312 10 0 BEAERN CC(C)[C@H](C)CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000153408742 219845545 /nfs/dbraw/zinc/84/55/45/219845545.db2.gz BECWGGOPFVVVDW-OCCSQVGLSA-N 0 0 239.359 2.308 10 0 BEAERN CC(C)N(C)c1ccc(Cl)c(CO)n1 ZINC000040864522 360627554 /nfs/dbraw/zinc/62/75/54/360627554.db2.gz KGKKYKIRUPDFQD-UHFFFAOYSA-N 0 0 214.696 2.072 10 0 BEAERN CCOC(=O)c1ccc(CC(C)C)nc1 ZINC000238262873 360768120 /nfs/dbraw/zinc/76/81/20/360768120.db2.gz PFELMOCNXIEVBB-UHFFFAOYSA-N 0 0 207.273 2.457 10 0 BEAERN CCOc1cc(NC(N)=S)ccc1C ZINC000238269145 360769865 /nfs/dbraw/zinc/76/98/65/360769865.db2.gz FCPIAYROCUALMR-UHFFFAOYSA-N 0 0 210.302 2.049 10 0 BEAERN NC(=O)c1nc2ccc(Cl)cc2s1 ZINC000045237427 181313152 /nfs/dbraw/zinc/31/31/52/181313152.db2.gz CYTRTPKORBSRSP-UHFFFAOYSA-N 0 0 212.661 2.049 10 0 BEAERN NC(=S)CCCOCCOc1ccccc1 ZINC000019473788 181314954 /nfs/dbraw/zinc/31/49/54/181314954.db2.gz DDROWDJAPXAUFL-UHFFFAOYSA-N 0 0 239.340 2.148 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000133384745 491152344 /nfs/dbraw/zinc/15/23/44/491152344.db2.gz MEQNKZLGBBQELW-VXGBXAGGSA-N 0 0 239.359 2.450 10 0 BEAERN NC(=S)Cc1ccc(OC(F)(F)F)cc1 ZINC000019263607 181317114 /nfs/dbraw/zinc/31/71/14/181317114.db2.gz AZLIPSXWGYSBAI-UHFFFAOYSA-N 0 0 235.230 2.414 10 0 BEAERN COc1cc(F)c(OC(F)(F)F)cn1 ZINC000238349452 360910311 /nfs/dbraw/zinc/91/03/11/360910311.db2.gz ZXLQWBLZVPOQFX-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN O=C(c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000040941657 360914704 /nfs/dbraw/zinc/91/47/04/360914704.db2.gz UJJZPYDCGKGCRE-SSDOTTSWSA-N 0 0 212.195 2.184 10 0 BEAERN O=C(c1cc(F)ccc1F)[C@H]1CCOC1 ZINC000040941658 360914971 /nfs/dbraw/zinc/91/49/71/360914971.db2.gz UJJZPYDCGKGCRE-ZETCQYMHSA-N 0 0 212.195 2.184 10 0 BEAERN NC(=S)COc1ccc2c(c1)CCCC2 ZINC000042417588 181316584 /nfs/dbraw/zinc/31/65/84/181316584.db2.gz QDFPDIVFXMBEID-UHFFFAOYSA-N 0 0 221.325 2.230 10 0 BEAERN NC(=S)Cc1ccc(NC(=O)C2CCC2)cc1 ZINC000051605848 181317843 /nfs/dbraw/zinc/31/78/43/181317843.db2.gz XPKCJZUARUNEBF-UHFFFAOYSA-N 0 0 248.351 2.254 10 0 BEAERN COC(=O)CC[C@H]1CNc2ccccc21 ZINC000238353033 360933419 /nfs/dbraw/zinc/93/34/19/360933419.db2.gz DKGRORSTALQNOU-VIFPVBQESA-N 0 0 205.257 2.149 10 0 BEAERN NC(=S)c1c(F)cccc1C(F)(F)F ZINC000083352365 181320159 /nfs/dbraw/zinc/32/01/59/181320159.db2.gz QZEHTNNLYBHRNZ-UHFFFAOYSA-N 0 0 223.194 2.479 10 0 BEAERN NC(=S)[C@]1(c2ccccn2)CCCS1 ZINC000026736398 181320278 /nfs/dbraw/zinc/32/02/78/181320278.db2.gz UNNUPWJXIRUBLE-SNVBAGLBSA-N 0 0 224.354 2.090 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000424865932 200802114 /nfs/dbraw/zinc/80/21/14/200802114.db2.gz NBAHEQSNICFMGF-NDBYEHHHSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H]1CC(=O)c2cc(F)c(F)cc2[S@@]1=O ZINC000040973262 360983439 /nfs/dbraw/zinc/98/34/39/360983439.db2.gz IHBYCBPDNHEIMJ-SPHRHWQCSA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cccc2c1[S@@](=O)CCCC2=O ZINC000040973367 360983922 /nfs/dbraw/zinc/98/39/22/360983922.db2.gz BOXNLRLYBJGLMH-CQSZACIVSA-N 0 0 208.282 2.079 10 0 BEAERN NC(=S)c1ccnc(NC2CCCCC2)c1 ZINC000019481469 181321929 /nfs/dbraw/zinc/32/19/29/181321929.db2.gz RCWLFOBMUNOHIL-UHFFFAOYSA-N 0 0 235.356 2.460 10 0 BEAERN NC(=S)c1cscc1Br ZINC000095930198 181322014 /nfs/dbraw/zinc/32/20/14/181322014.db2.gz ICXPIQFLOXBPOO-UHFFFAOYSA-N 0 0 222.132 2.145 10 0 BEAERN NC(=S)c1nccc2c(F)cccc21 ZINC000082769368 181323091 /nfs/dbraw/zinc/32/30/91/181323091.db2.gz DVZGCRKGPUAOFK-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN Oc1cnc(Cl)cc1OC(F)(F)F ZINC000238664340 361175276 /nfs/dbraw/zinc/17/52/76/361175276.db2.gz MCWQAVPASWPKBZ-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN CC(C)(C)[C@H](C(=O)[O-])[N@@H+]1CCCC1(C)C ZINC000306614928 361164270 /nfs/dbraw/zinc/16/42/70/361164270.db2.gz AUXYRDFGJPIFTL-VIFPVBQESA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H](c1ncc(Br)cn1)N1CCC1 ZINC000306623276 361247532 /nfs/dbraw/zinc/24/75/32/361247532.db2.gz DKUSARQTONOSNY-SSDOTTSWSA-N 0 0 242.120 2.006 10 0 BEAERN CN(Cc1nccs1)c1nsnc1Cl ZINC000306625277 361285994 /nfs/dbraw/zinc/28/59/94/361285994.db2.gz GOYBNJUEOAAOPB-UHFFFAOYSA-N 0 0 246.748 2.284 10 0 BEAERN OCc1ccc(OC(F)(F)F)nc1Cl ZINC000238726759 361372228 /nfs/dbraw/zinc/37/22/28/361372228.db2.gz FAZLONCPGZVHMB-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Cc1cccc(C(=O)CS[C@H](C)CO)c1 ZINC000162666387 361359323 /nfs/dbraw/zinc/35/93/23/361359323.db2.gz VFAGFJAKWVOHMP-SNVBAGLBSA-N 0 0 224.325 2.292 10 0 BEAERN Cc1cc(C(=O)Cc2ccccn2)sn1 ZINC000306630807 361362493 /nfs/dbraw/zinc/36/24/93/361362493.db2.gz CWZKVKMWSATURB-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN NC(=O)c1cc(F)cc(C(F)F)c1F ZINC000306631950 361363021 /nfs/dbraw/zinc/36/30/21/361363021.db2.gz ATGRBWKYQCBBIL-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN O=Cc1c(F)ccc(F)c1OC(F)F ZINC000306635659 361380204 /nfs/dbraw/zinc/38/02/04/361380204.db2.gz ADUYNYGXRYMBNG-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN Cc1cc(N)ccc1C(=O)c1ccoc1 ZINC000070042315 361383858 /nfs/dbraw/zinc/38/38/58/361383858.db2.gz DJYZHIAJVOTUPD-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN N[C@@H](c1ncon1)c1ccccc1C(F)(F)F ZINC000036762138 361397582 /nfs/dbraw/zinc/39/75/82/361397582.db2.gz PDNCLTIQJOFLST-MRVPVSSYSA-N 0 0 243.188 2.137 10 0 BEAERN CNC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000070186631 361473134 /nfs/dbraw/zinc/47/31/34/361473134.db2.gz ZOXQIAGPBPIAKR-UHFFFAOYSA-N 0 0 239.489 2.401 10 0 BEAERN CCOC(=O)N1CCc2sccc2C1 ZINC000070225321 361486072 /nfs/dbraw/zinc/48/60/72/361486072.db2.gz SWXNNMOPGDYLFC-UHFFFAOYSA-N 0 0 211.286 2.263 10 0 BEAERN CC(C)C[C@H](C)N(C)C(=O)C(F)(F)F ZINC000070233416 361489810 /nfs/dbraw/zinc/48/98/10/361489810.db2.gz ATDBYALOQBDCBG-ZETCQYMHSA-N 0 0 211.227 2.442 10 0 BEAERN Cc1cc(O)cc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000629630543 361518951 /nfs/dbraw/zinc/51/89/51/361518951.db2.gz ZSSLEEUCGCVQRM-BXKDBHETSA-N 0 0 235.283 2.207 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)c2ccncn2)C1 ZINC000070566415 361561748 /nfs/dbraw/zinc/56/17/48/361561748.db2.gz ALHFEGWNIOIIDB-VHSXEESVSA-N 0 0 204.273 2.486 10 0 BEAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)C ZINC000153127694 201220974 /nfs/dbraw/zinc/22/09/74/201220974.db2.gz DCRLIJQQSYLIQZ-GHMZBOCLSA-N 0 0 242.363 2.145 10 0 BEAERN Nc1nc(-c2cc(Br)cs2)no1 ZINC000070599489 361582477 /nfs/dbraw/zinc/58/24/77/361582477.db2.gz GGNFDXDGNPXNGN-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN CCn1nc(C)cc1-c1cc(C)c(N)cn1 ZINC000629743201 361679559 /nfs/dbraw/zinc/67/95/59/361679559.db2.gz FXEVUEREGAWCLP-UHFFFAOYSA-N 0 0 216.288 2.164 10 0 BEAERN COCC(=O)c1csc(Br)c1 ZINC000161256258 363856346 /nfs/dbraw/zinc/85/63/46/363856346.db2.gz DICWHYMNCAUHRQ-UHFFFAOYSA-N 0 0 235.102 2.340 10 0 BEAERN Cc1ncsc1[C@H](O)Cc1nccs1 ZINC000161272934 363881854 /nfs/dbraw/zinc/88/18/54/363881854.db2.gz DSUUYYOBHGEMDJ-SSDOTTSWSA-N 0 0 226.326 2.184 10 0 BEAERN Cc1cccc(CC(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000130655951 363887589 /nfs/dbraw/zinc/88/75/89/363887589.db2.gz QCLORHZVCUJEMU-STQMWFEESA-N 0 0 247.338 2.173 10 0 BEAERN Cc1cccc(C)c1Cn1cc(N)cn1 ZINC000126202299 541326544 /nfs/dbraw/zinc/32/65/44/541326544.db2.gz BHZVMBOTXHFNMF-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN CCCC(=O)C[C@H](C(=O)OC)C(=O)C(C)(C)C ZINC000725248268 541330362 /nfs/dbraw/zinc/33/03/62/541330362.db2.gz PWEGWXXNFAEDPN-JTQLQIEISA-N 0 0 242.315 2.150 10 0 BEAERN CCOC(=O)[C@@H](CC(=O)[C@@H](C)CC)C(=O)CC ZINC000725248294 541330367 /nfs/dbraw/zinc/33/03/67/541330367.db2.gz QGRFBXNAJOIDTF-UWVGGRQHSA-N 0 0 242.315 2.150 10 0 BEAERN CCOC(=O)[C@H](CC(=O)[C@H](C)CC)C(=O)CC ZINC000725248293 541330375 /nfs/dbraw/zinc/33/03/75/541330375.db2.gz QGRFBXNAJOIDTF-NXEZZACHSA-N 0 0 242.315 2.150 10 0 BEAERN CCCCn1nc(C(=O)OC)c(CCC)c1N ZINC000725254592 541331353 /nfs/dbraw/zinc/33/13/53/541331353.db2.gz CDBSIDUETSJSJM-UHFFFAOYSA-N 0 0 239.319 2.005 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]12 ZINC000725263519 541337076 /nfs/dbraw/zinc/33/70/76/541337076.db2.gz MOTKQUFMKZGIBV-QJPTWQEYSA-N 0 0 239.359 2.496 10 0 BEAERN CC(C)CNC(=O)NC(C)(C)c1ccc(N)cc1 ZINC000725264586 541337631 /nfs/dbraw/zinc/33/76/31/541337631.db2.gz XOMZVSQODXFKFP-UHFFFAOYSA-N 0 0 249.358 2.459 10 0 BEAERN O=C(N[C@@H]1CCOc2ccccc21)c1cc[nH]c1 ZINC000068232474 370760617 /nfs/dbraw/zinc/76/06/17/370760617.db2.gz ZFUVTPCUQOJBBF-GFCCVEGCSA-N 0 0 242.278 2.268 10 0 BEAERN CCOC(=O)CN[C@@H](C)c1cc(F)ccc1F ZINC000037563630 364191979 /nfs/dbraw/zinc/19/19/79/364191979.db2.gz PGSKTJMQDWOHBH-QMMMGPOBSA-N 0 0 243.253 2.179 10 0 BEAERN COc1ccc2c(=O)[nH]cc(Cl)c2c1 ZINC000116462285 370777070 /nfs/dbraw/zinc/77/70/70/370777070.db2.gz JPJRYKRJPPWZCK-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCCC1CCCC1 ZINC000170806445 364287987 /nfs/dbraw/zinc/28/79/87/364287987.db2.gz LVUQGBZGXRRRBP-ONGXEEELSA-N 0 0 210.321 2.274 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000170827977 364379254 /nfs/dbraw/zinc/37/92/54/364379254.db2.gz OWZYNZDZTPDPIQ-WCBMZHEXSA-N 0 0 248.330 2.304 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000134967267 364421696 /nfs/dbraw/zinc/42/16/96/364421696.db2.gz SMZBYKDETXIYPU-SNVBAGLBSA-N 0 0 207.273 2.398 10 0 BEAERN O=C([O-])[C@@H]1CCS[C@@H](C2CCCCC2)[NH2+]1 ZINC000037737028 364565112 /nfs/dbraw/zinc/56/51/12/364565112.db2.gz WVINVWAGGOHOHZ-UWVGGRQHSA-N 0 0 229.345 2.073 10 0 BEAERN CCOC(=O)/C=C\Cc1ccc(OC)cc1 ZINC000224979176 364510961 /nfs/dbraw/zinc/51/09/61/364510961.db2.gz ZLVORRPESQLNKJ-XQRVVYSFSA-N 0 0 220.268 2.357 10 0 BEAERN O=C(Cc1ccco1)c1ccncc1F ZINC000130695120 364569407 /nfs/dbraw/zinc/56/94/07/364569407.db2.gz RHQZLKUACFOMSG-UHFFFAOYSA-N 0 0 205.188 2.239 10 0 BEAERN OC[C@@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000038221496 364718769 /nfs/dbraw/zinc/71/87/69/364718769.db2.gz BCDVRNCZMZEOBT-CHWSQXEVSA-N 0 0 222.284 2.263 10 0 BEAERN CC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000148762334 541402696 /nfs/dbraw/zinc/40/26/96/541402696.db2.gz GUXURKSRCUGCCA-NXEZZACHSA-N 0 0 227.304 2.269 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12CCCC2(C)C ZINC000669384231 541437292 /nfs/dbraw/zinc/43/72/92/541437292.db2.gz QNGXWMPYRHMIIE-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@H]1CCC[C@]12O[C@]2(CC)C(=O)OC ZINC000669384175 541437483 /nfs/dbraw/zinc/43/74/83/541437483.db2.gz PMDAYRKEWXAHAI-JLLWLGSASA-N 0 0 212.289 2.287 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000171468729 365075175 /nfs/dbraw/zinc/07/51/75/365075175.db2.gz IYUVDCAWVYWAJE-JTQLQIEISA-N 0 0 249.310 2.233 10 0 BEAERN Nc1c(Cl)cc(Br)cc1CO ZINC000116549443 370803495 /nfs/dbraw/zinc/80/34/95/370803495.db2.gz MBSDAQFJBIHXIS-UHFFFAOYSA-N 0 0 236.496 2.177 10 0 BEAERN COC[C@H](C)C(=O)NCC1CCC(C)CC1 ZINC000171459864 365201809 /nfs/dbraw/zinc/20/18/09/365201809.db2.gz JZWKRTMJTQYFKT-CXQJBGSLSA-N 0 0 227.348 2.211 10 0 BEAERN COC[C@@H](C)C(=O)N(C)CC1CCCCC1 ZINC000171526603 365209516 /nfs/dbraw/zinc/20/95/16/365209516.db2.gz SFINAAYOVHNACJ-LLVKDONJSA-N 0 0 227.348 2.308 10 0 BEAERN CCCCO[C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000171564732 365217162 /nfs/dbraw/zinc/21/71/62/365217162.db2.gz USKRKTMOXRWKDZ-QWRGUYRKSA-N 0 0 245.388 2.156 10 0 BEAERN O=Cc1cn(CC(F)F)c2ncccc12 ZINC000130703444 365278540 /nfs/dbraw/zinc/27/85/40/365278540.db2.gz JQMBXDGPUIOBQH-UHFFFAOYSA-N 0 0 210.183 2.114 10 0 BEAERN C[C@H]1CCN(c2csc(C=O)c2)CCO1 ZINC000675063762 541465625 /nfs/dbraw/zinc/46/56/25/541465625.db2.gz NWQWVOKKWOCKKS-VIFPVBQESA-N 0 0 225.313 2.176 10 0 BEAERN O=Cc1cc(N2CCC(F)CC2)cs1 ZINC000675063979 541465704 /nfs/dbraw/zinc/46/57/04/541465704.db2.gz CRPKAJGBKVOEOD-UHFFFAOYSA-N 0 0 213.277 2.499 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nccnc1N[C@@H]1C[C@@H]1C ZINC000166349026 541481965 /nfs/dbraw/zinc/48/19/65/541481965.db2.gz RRLAZEAWEGOHSU-FIRGSJFUSA-N 0 0 218.304 2.117 10 0 BEAERN Cc1ccc(-c2nc(N)nc(Cl)n2)s1 ZINC000137365258 541491974 /nfs/dbraw/zinc/49/19/74/541491974.db2.gz BYDBDSIXDZPAJO-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN COC(=O)[C@@H]1COc2c1cc(Cl)cc2F ZINC000685951991 541497570 /nfs/dbraw/zinc/49/75/70/541497570.db2.gz NWOWIGUVUPZPAF-SSDOTTSWSA-N 0 0 230.622 2.128 10 0 BEAERN CC(C)c1nc2n(n1)[C@H]1CCC[C@H]1CN2 ZINC000232795701 541507843 /nfs/dbraw/zinc/50/78/43/541507843.db2.gz UCVCQWWXYZGYPR-IUCAKERBSA-N 0 0 206.293 2.168 10 0 BEAERN CC(C)c1nc2n(n1)[C@@H](C(F)(F)F)CCN2 ZINC000232806184 541507987 /nfs/dbraw/zinc/50/79/87/541507987.db2.gz LDXDXMDYJTWHPJ-ZCFIWIBFSA-N 0 0 234.225 2.321 10 0 BEAERN CCCc1cc2n(n1)[C@@H](C(F)F)CCN2 ZINC000233377180 541508277 /nfs/dbraw/zinc/50/82/77/541508277.db2.gz KUIRZSUVKDRMOL-MRVPVSSYSA-N 0 0 215.247 2.457 10 0 BEAERN CCOC(=O)[C@H]1O[C@]1(C)CC(C)(C)C ZINC000384733088 541515504 /nfs/dbraw/zinc/51/55/04/541515504.db2.gz KCABCIFUCITBFM-LDYMZIIASA-N 0 0 200.278 2.143 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]1(C)CC(C)(C)C ZINC000384733085 541515784 /nfs/dbraw/zinc/51/57/84/541515784.db2.gz KCABCIFUCITBFM-KCJUWKMLSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@H]1C[C@@H](C(=O)N2CCOCC2)CC(C)(C)C1 ZINC000183439259 367022236 /nfs/dbraw/zinc/02/22/36/367022236.db2.gz PPBHQLYRIMMDLX-NWDGAFQWSA-N 0 0 239.359 2.308 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]1(C)CC(C)(C)C ZINC000384767416 541515396 /nfs/dbraw/zinc/51/53/96/541515396.db2.gz OTHXUXZNIOGOBL-WDEREUQCSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@H]1C[C@@H](C(=O)NCC(C)(C)O)CC(C)(C)C1 ZINC000184053549 367062081 /nfs/dbraw/zinc/06/20/81/367062081.db2.gz RLKLATHKXOTILN-WDEREUQCSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1nn(C(O)=S)c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000238510064 219967222 /nfs/dbraw/zinc/96/72/22/219967222.db2.gz RQQLKYZMMLKYHE-RCOVLWMOSA-N 0 0 222.313 2.178 10 0 BEAERN c1ccc(COCCO[C@H]2CCOC2)cc1 ZINC000116884615 370850242 /nfs/dbraw/zinc/85/02/42/370850242.db2.gz ULXPBVSLHNNWPD-ZDUSSCGKSA-N 0 0 222.284 2.009 10 0 BEAERN CN(C)c1ccc([C@@H](O)c2cccnc2)cc1 ZINC000068853833 370854091 /nfs/dbraw/zinc/85/40/91/370854091.db2.gz SZMURKYDDWOHDE-CQSZACIVSA-N 0 0 228.295 2.229 10 0 BEAERN CCCC[C@H](C)C(=O)N1CCC[C@H](O)[C@H]1C ZINC000385011073 367772998 /nfs/dbraw/zinc/77/29/98/367772998.db2.gz NHMRAELYIXDRMY-TUAOUCFPSA-N 0 0 227.348 2.185 10 0 BEAERN C[C@@H]1CC[C@H](Nc2cc(F)ncn2)[C@H]1C ZINC000252718140 367827534 /nfs/dbraw/zinc/82/75/34/367827534.db2.gz DEUTZMVGTOIRKN-VGMNWLOBSA-N 0 0 209.268 2.462 10 0 BEAERN C[C@H]1C[C@H]([C@H](NN)C(F)F)C[C@@H](C)C1 ZINC000252990528 368177958 /nfs/dbraw/zinc/17/79/58/368177958.db2.gz BBSQZEFGMOYCDO-KDXUFGMBSA-N 0 0 206.280 2.156 10 0 BEAERN Brc1ccnn1CC1CC1 ZINC000215041352 368141007 /nfs/dbraw/zinc/14/10/07/368141007.db2.gz SWCIIXHMWOYTHA-UHFFFAOYSA-N 0 0 201.067 2.056 10 0 BEAERN COc1ccc(-n2nc3ccccc3n2)c(O)c1 ZINC000034195793 368322359 /nfs/dbraw/zinc/32/23/59/368322359.db2.gz HZTYZWICLYUPSX-UHFFFAOYSA-N 0 0 241.250 2.135 10 0 BEAERN C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cscn1 ZINC000617834033 368298673 /nfs/dbraw/zinc/29/86/73/368298673.db2.gz ILAAARMQMZNSKP-QEYWKRMJSA-N 0 0 236.340 2.366 10 0 BEAERN COC(=O)c1ccc2cc(CO)ccc2c1 ZINC000038283939 368324959 /nfs/dbraw/zinc/32/49/59/368324959.db2.gz QXRASHQBZPURDP-UHFFFAOYSA-N 0 0 216.236 2.119 10 0 BEAERN O=C(C[C@@H]1CCCOC1=O)c1ccccc1 ZINC000038812835 368325196 /nfs/dbraw/zinc/32/51/96/368325196.db2.gz UNZLQQXFVCBUDW-NSHDSACASA-N 0 0 218.252 2.213 10 0 BEAERN O[C@@H](CF)c1ccc(Br)cc1 ZINC000038917588 368325475 /nfs/dbraw/zinc/32/54/75/368325475.db2.gz DOCJQSDUKAOMNV-QMMMGPOBSA-N 0 0 219.053 2.452 10 0 BEAERN O=C(C[C@H](O)C(F)(F)F)OCc1ccccc1 ZINC000038392861 368326703 /nfs/dbraw/zinc/32/67/03/368326703.db2.gz YRIZYPYJRHZYDD-VIFPVBQESA-N 0 0 248.200 2.043 10 0 BEAERN CCOC(=O)[C@]1(C)CCc2ccc(O)cc2O1 ZINC000038351423 368326786 /nfs/dbraw/zinc/32/67/86/368326786.db2.gz ZQUVGOXTQFGONJ-ZDUSSCGKSA-N 0 0 236.267 2.039 10 0 BEAERN O=c1ccoc2c1O[C@H](c1ccccc1)OC2 ZINC000038953380 368327722 /nfs/dbraw/zinc/32/77/22/368327722.db2.gz FIXVHOCMQJOHJQ-CYBMUJFWSA-N 0 0 230.219 2.248 10 0 BEAERN CC[C@@H](CC[C@H]1CCCO1)OC(C)=O ZINC000039366103 368330140 /nfs/dbraw/zinc/33/01/40/368330140.db2.gz QIVAMLXUNDMINC-WDEREUQCSA-N 0 0 200.278 2.287 10 0 BEAERN CCOC(=O)/C(=C/N(C)C)c1ccccc1 ZINC000078017009 368336510 /nfs/dbraw/zinc/33/65/10/368336510.db2.gz MZCVLVNHENCMRP-ZRDIBKRKSA-N 0 0 219.284 2.152 10 0 BEAERN O=C(c1ncc(-c2cccnc2)o1)C1CC1 ZINC000103420056 368340704 /nfs/dbraw/zinc/34/07/04/368340704.db2.gz UIUFUVKRDQBNIQ-UHFFFAOYSA-N 0 0 214.224 2.329 10 0 BEAERN O=c1cc(OCc2ccc(Cl)cn2)cc[nH]1 ZINC000113109928 368341613 /nfs/dbraw/zinc/34/16/13/368341613.db2.gz BLVILFPFHSLKGA-UHFFFAOYSA-N 0 0 236.658 2.002 10 0 BEAERN COC(=O)c1ccc(C2CCOCC2)cc1 ZINC000205784424 368360070 /nfs/dbraw/zinc/36/00/70/368360070.db2.gz VDHLBFGJYZCOKH-UHFFFAOYSA-N 0 0 220.268 2.367 10 0 BEAERN NNCCc1ccc(OCc2ccccc2)cc1 ZINC000222430393 368360718 /nfs/dbraw/zinc/36/07/18/368360718.db2.gz NJGYMFMFANTXQH-UHFFFAOYSA-N 0 0 242.322 2.271 10 0 BEAERN CC(C)Nc1cc(Cl)ncc1C(N)=S ZINC000223346352 368364103 /nfs/dbraw/zinc/36/41/03/368364103.db2.gz PDHFETKQJHTRKH-UHFFFAOYSA-N 0 0 229.736 2.190 10 0 BEAERN C[C@]1(Cc2ccc(Cl)nc2)CCN=C1NC#N ZINC000048523291 368377370 /nfs/dbraw/zinc/37/73/70/368377370.db2.gz SJULPOMUPWZCKP-GFCCVEGCSA-N 0 0 248.717 2.157 10 0 BEAERN C[C@@]1(Cc2ccc(Cl)nc2)CCN=C1NC#N ZINC000048523293 368377431 /nfs/dbraw/zinc/37/74/31/368377431.db2.gz SJULPOMUPWZCKP-LBPRGKRZSA-N 0 0 248.717 2.157 10 0 BEAERN CCn1c2ccccc2nc(Cl)c1=O ZINC000149987359 368394527 /nfs/dbraw/zinc/39/45/27/368394527.db2.gz IXOBNBZVJNXHJF-UHFFFAOYSA-N 0 0 208.648 2.070 10 0 BEAERN CC(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1 ZINC000022309424 368425004 /nfs/dbraw/zinc/42/50/04/368425004.db2.gz NORMTNMXSHRHLT-UHFFFAOYSA-N 0 0 242.363 2.169 10 0 BEAERN CC(C)(C)OC(=O)N[C@]1(C)CC1(F)F ZINC000584880373 368858393 /nfs/dbraw/zinc/85/83/93/368858393.db2.gz JDBGQMPHAGWUOO-MRVPVSSYSA-N 0 0 207.220 2.309 10 0 BEAERN CCN(CC)C(=O)N[C@H](C)C(C)(C)C ZINC000112363537 368871153 /nfs/dbraw/zinc/87/11/53/368871153.db2.gz MRTZCGQQCKFHEZ-SECBINFHSA-N 0 0 200.326 2.472 10 0 BEAERN CC(C)CNC(=O)N[C@H](C)C(C)(C)C ZINC000112429772 368872608 /nfs/dbraw/zinc/87/26/08/368872608.db2.gz UJOWCMZQXFASCF-SECBINFHSA-N 0 0 200.326 2.376 10 0 BEAERN C[C@@H]1NC(=O)O[C@@H]1c1cc(F)cc(F)c1 ZINC000114041252 368917027 /nfs/dbraw/zinc/91/70/27/368917027.db2.gz TUBJFVVHXTYFQD-CDUCUWFYSA-N 0 0 213.183 2.134 10 0 BEAERN Cc1ccc([C@]23CCC(=O)N2CCCO3)cc1 ZINC000003636658 368875902 /nfs/dbraw/zinc/87/59/02/368875902.db2.gz WLZOVDLKCXHTKP-CQSZACIVSA-N 0 0 231.295 2.191 10 0 BEAERN COP(=O)(OC)c1ccc(C)cc1 ZINC000113706591 368901415 /nfs/dbraw/zinc/90/14/15/368901415.db2.gz OJXAATCZRHUZDB-UHFFFAOYSA-N 0 0 200.174 2.106 10 0 BEAERN COCC(=O)c1cccc2ncccc21 ZINC000088100968 368904764 /nfs/dbraw/zinc/90/47/64/368904764.db2.gz SMKPJHNVOWKROU-UHFFFAOYSA-N 0 0 201.225 2.064 10 0 BEAERN COc1ccc2c(c1)[C@H]1[C@@H](C2)C(=O)[C@H]1C ZINC000225150030 368907488 /nfs/dbraw/zinc/90/74/88/368907488.db2.gz YBSUGXRPXADVAG-BPTDKIDVSA-N 0 0 202.253 2.170 10 0 BEAERN O=c1occc2cc(OC[C@@H]3CCCO3)ccc21 ZINC000115050845 368970403 /nfs/dbraw/zinc/97/04/03/368970403.db2.gz QGQWMIGHXFADMD-LBPRGKRZSA-N 0 0 246.262 2.351 10 0 BEAERN COc1ccnc(Cc2ccccc2)n1 ZINC000118544356 368971337 /nfs/dbraw/zinc/97/13/37/368971337.db2.gz TZLPBVURAWCOKX-UHFFFAOYSA-N 0 0 200.241 2.076 10 0 BEAERN CCC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000203769817 368977014 /nfs/dbraw/zinc/97/70/14/368977014.db2.gz QVCGWMWKHDEQRM-UHFFFAOYSA-N 0 0 233.311 2.112 10 0 BEAERN CCCC[C@H]1OC(=O)[C@H](CCCC)OC1=O ZINC000114420396 368938427 /nfs/dbraw/zinc/93/84/27/368938427.db2.gz YZOWKVJDLDVRST-AOOOYVTPSA-N 0 0 228.288 2.204 10 0 BEAERN CCCC[C@H]1OC(=O)[C@@H](CCCC)OC1=O ZINC000114420398 368938610 /nfs/dbraw/zinc/93/86/10/368938610.db2.gz YZOWKVJDLDVRST-NXEZZACHSA-N 0 0 228.288 2.204 10 0 BEAERN CCOC(=O)C(C)(C)SC1CCOCC1 ZINC000114544862 368943895 /nfs/dbraw/zinc/94/38/95/368943895.db2.gz VNVMHPOWFHEEOB-UHFFFAOYSA-N 0 0 232.345 2.240 10 0 BEAERN O=C([O-])c1ccc2c(c1)CC[N@H+](C1CCC1)CC2 ZINC000117113525 368954570 /nfs/dbraw/zinc/95/45/70/368954570.db2.gz FBXINWBGXBIABL-UHFFFAOYSA-N 0 0 245.322 2.338 10 0 BEAERN CC(C)(C)OC(=O)N1CCC2(CC2)C[C@H]1CO ZINC000114871792 368956276 /nfs/dbraw/zinc/95/62/76/368956276.db2.gz IGNPZIKVBPDVMR-JTQLQIEISA-N 0 0 241.331 2.158 10 0 BEAERN O=C([O-])C1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090978022 369002467 /nfs/dbraw/zinc/00/24/67/369002467.db2.gz OGWHASHZQISDLF-CYBMUJFWSA-N 0 0 245.322 2.123 10 0 BEAERN C[C@H](C(=O)n1ccnc1)c1ccccc1 ZINC000115688133 369005652 /nfs/dbraw/zinc/00/56/52/369005652.db2.gz DJUPXBAUERTRNO-JTQLQIEISA-N 0 0 200.241 2.327 10 0 BEAERN COC(=O)C1(O)CCC2(CCCC2)CC1 ZINC000161437863 369087569 /nfs/dbraw/zinc/08/75/69/369087569.db2.gz VOMDLBSERZWIEN-UHFFFAOYSA-N 0 0 212.289 2.025 10 0 BEAERN Cc1cc(CO)nc(-c2cccs2)n1 ZINC000054830183 369102144 /nfs/dbraw/zinc/10/21/44/369102144.db2.gz KRMSQMQPCBCMAT-UHFFFAOYSA-N 0 0 206.270 2.006 10 0 BEAERN O[C@H](Cc1ccco1)[C@@H]1CCCCS1 ZINC000130871523 369122376 /nfs/dbraw/zinc/12/23/76/369122376.db2.gz KNCNBQVZNVYMKH-MNOVXSKESA-N 0 0 212.314 2.469 10 0 BEAERN Cc1nc(N(C)C2CC2)sc1[C@H](C)O ZINC000054910803 369109986 /nfs/dbraw/zinc/10/99/86/369109986.db2.gz FYESLKWQQDQPBA-ZETCQYMHSA-N 0 0 212.318 2.103 10 0 BEAERN CCC[C@@H]1SCCN1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000155060871 326183004 /nfs/dbraw/zinc/18/30/04/326183004.db2.gz LPBQXDRAPZSGBT-DCAQKATOSA-N 0 0 243.372 2.256 10 0 BEAERN CC(=O)N1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616690974 369113320 /nfs/dbraw/zinc/11/33/20/369113320.db2.gz AJRDHVIPFWWWLG-AWEZNQCLSA-N 0 0 242.278 2.169 10 0 BEAERN CC(C)[C@H]1CN(C(N)=O)c2ccccc2N1 ZINC000616692197 369114220 /nfs/dbraw/zinc/11/42/20/369114220.db2.gz SMTYJCNXOVPBRV-SNVBAGLBSA-N 0 0 219.288 2.022 10 0 BEAERN CC(=O)N1C[C@H](c2cnco2)Nc2ccccc21 ZINC000616692225 369114380 /nfs/dbraw/zinc/11/43/80/369114380.db2.gz USSHWQLGLMMUEP-LLVKDONJSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(Cc2nc(C=O)cs2)cs1 ZINC000055273681 369170555 /nfs/dbraw/zinc/17/05/55/369170555.db2.gz WLQHVQOZWVYVHH-UHFFFAOYSA-N 0 0 224.310 2.311 10 0 BEAERN Cc1nc(CC(=O)c2cccnc2)cs1 ZINC000055294282 369181204 /nfs/dbraw/zinc/18/12/04/369181204.db2.gz SLHWTGBLUQIHNU-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN CCC[C@H]1CCCN(C(=O)[C@@H](C)COC)C1 ZINC000155414824 326195200 /nfs/dbraw/zinc/19/52/00/326195200.db2.gz KUKNTONYWYXJCN-RYUDHWBXSA-N 0 0 227.348 2.308 10 0 BEAERN Brc1cccc2c1NCCN2 ZINC000107214906 369339145 /nfs/dbraw/zinc/33/91/45/369339145.db2.gz FIKDZJTWPVLQDX-UHFFFAOYSA-N 0 0 213.078 2.287 10 0 BEAERN CSCC(=O)Nc1cc(F)cc(F)c1 ZINC000057858638 369454835 /nfs/dbraw/zinc/45/48/35/369454835.db2.gz ATXMCILXFPOZFI-UHFFFAOYSA-N 0 0 217.240 2.266 10 0 BEAERN CC[C@H](NC1(C2CCC2)CCC1)C(=O)OC ZINC000459780462 203366154 /nfs/dbraw/zinc/36/61/54/203366154.db2.gz VMDCZTQNYJNUBM-NSHDSACASA-N 0 0 225.332 2.250 10 0 BEAERN O[C@H](Cc1cccs1)c1nccs1 ZINC000161525436 369996717 /nfs/dbraw/zinc/99/67/17/369996717.db2.gz PXQHYLLQMHQSCZ-MRVPVSSYSA-N 0 0 211.311 2.481 10 0 BEAERN CCNc1nc2ccc(C)cc2cc1CO ZINC000205603676 369981973 /nfs/dbraw/zinc/98/19/73/369981973.db2.gz CJCYHHKOPWISBT-UHFFFAOYSA-N 0 0 216.284 2.467 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCOc1ccc(F)cc1 ZINC000075517039 370140972 /nfs/dbraw/zinc/14/09/72/370140972.db2.gz TVPRPHLFKWWBPP-JOYOIKCWSA-N 0 0 237.274 2.119 10 0 BEAERN Cc1ccc(CCNC(=O)N[C@H](C)C(C)C)cn1 ZINC000111442338 370145372 /nfs/dbraw/zinc/14/53/72/370145372.db2.gz NSCIZVZEPVMKEC-GFCCVEGCSA-N 0 0 249.358 2.276 10 0 BEAERN C[C@@H](Nc1nccc2nccnc21)[C@H]1CCCO1 ZINC000621251508 370185277 /nfs/dbraw/zinc/18/52/77/370185277.db2.gz XJRBOPPZWXIYAD-MWLCHTKSSA-N 0 0 244.298 2.004 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)CC1CCCC1 ZINC000075981360 370197057 /nfs/dbraw/zinc/19/70/57/370197057.db2.gz GERJZSWMJQLSHX-KOLCDFICSA-N 0 0 210.321 2.226 10 0 BEAERN CSCCCNC(=O)N[C@@H](C)C(C)C ZINC000077667865 370451609 /nfs/dbraw/zinc/45/16/09/370451609.db2.gz BWIJLYWGYJFGPF-VIFPVBQESA-N 0 0 218.366 2.083 10 0 BEAERN O=Cc1cc([N+](=O)[O-])cc(Br)c1F ZINC000114331667 370553949 /nfs/dbraw/zinc/55/39/49/370553949.db2.gz CAOZIMCATDOANH-UHFFFAOYSA-N 0 0 248.007 2.309 10 0 BEAERN C[C@H]1CCN[C@H](c2nccs2)S1 ZINC000161613010 370604172 /nfs/dbraw/zinc/60/41/72/370604172.db2.gz KUFJETDHPUWQDK-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN CC1(C)CS[C@H](c2nccs2)N1 ZINC000161614945 370606266 /nfs/dbraw/zinc/60/62/66/370606266.db2.gz KROKQSZVSZHWBQ-SSDOTTSWSA-N 0 0 200.332 2.257 10 0 BEAERN Cc1oc2ncnc(NC(=O)[C@H]3C[C@H]3C)c2c1C ZINC000118198509 370999185 /nfs/dbraw/zinc/99/91/85/370999185.db2.gz GYNNKSPKWOUABS-MUWHJKNJSA-N 0 0 245.282 2.434 10 0 BEAERN CC(=O)N(C)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000118260541 371005710 /nfs/dbraw/zinc/00/57/10/371005710.db2.gz JRBNYCXONYIPDY-GXSJLCMTSA-N 0 0 246.310 2.264 10 0 BEAERN CC(C)(O)c1cc(Cl)nc(Cl)n1 ZINC000118504764 371023692 /nfs/dbraw/zinc/02/36/92/371023692.db2.gz GARARQJTXXWDSK-UHFFFAOYSA-N 0 0 207.060 2.011 10 0 BEAERN NN1CCC[C@H]1c1ccc(Br)cc1 ZINC000077387090 181509982 /nfs/dbraw/zinc/50/99/82/181509982.db2.gz IBLXRYVNOKVFRM-JTQLQIEISA-N 0 0 241.132 2.460 10 0 BEAERN CC(C)c1cc(CO)n(-c2ccccc2)n1 ZINC000019045820 371105085 /nfs/dbraw/zinc/10/50/85/371105085.db2.gz CKQYDYHBIZJFSS-UHFFFAOYSA-N 0 0 216.284 2.488 10 0 BEAERN NN1CC[C@H](c2ccccc2Br)C1 ZINC000077387086 181510645 /nfs/dbraw/zinc/51/06/45/181510645.db2.gz QPBPCWVQPWASLN-QMMMGPOBSA-N 0 0 241.132 2.112 10 0 BEAERN NN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000062571082 181518377 /nfs/dbraw/zinc/51/83/77/181518377.db2.gz SFQRDHPXCICGNZ-SECBINFHSA-N 0 0 212.680 2.017 10 0 BEAERN NNc1ccnc2c(OC(F)(F)F)cccc12 ZINC000051151904 181519427 /nfs/dbraw/zinc/51/94/27/181519427.db2.gz KGUUMDXMZHNMLY-UHFFFAOYSA-N 0 0 243.188 2.419 10 0 BEAERN Nc1cc(-c2cc(Br)cs2)[nH]n1 ZINC000082551191 181673024 /nfs/dbraw/zinc/67/30/24/181673024.db2.gz NTODYYLSHCBINM-UHFFFAOYSA-N 0 0 244.117 2.483 10 0 BEAERN Nc1cc(-c2cncnc2)c(Br)o1 ZINC000106999585 181674799 /nfs/dbraw/zinc/67/47/99/181674799.db2.gz DFUFZXRVUUBEMM-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Nc1cc(Br)c2c(c1)CCCO2 ZINC000082351145 181677843 /nfs/dbraw/zinc/67/78/43/181677843.db2.gz OZHOZOWAIARYLC-UHFFFAOYSA-N 0 0 228.089 2.356 10 0 BEAERN Nc1cc(Br)cnc1OC1CCC1 ZINC000050519010 181677921 /nfs/dbraw/zinc/67/79/21/181677921.db2.gz BNWCTVUQJDAUSB-UHFFFAOYSA-N 0 0 243.104 2.358 10 0 BEAERN Nc1cc(Cc2cncs2)ccc1F ZINC000036204333 181682927 /nfs/dbraw/zinc/68/29/27/181682927.db2.gz KLKOMMXPZPSLON-UHFFFAOYSA-N 0 0 208.261 2.455 10 0 BEAERN Nc1cc(F)c(OC[C@H]2CCCCO2)c(F)c1 ZINC000038040315 181685801 /nfs/dbraw/zinc/68/58/01/181685801.db2.gz GOUDQBNNNRRPGL-SECBINFHSA-N 0 0 243.253 2.495 10 0 BEAERN Nc1cc(F)c(Sc2ncccn2)c(F)c1 ZINC000038040426 181686071 /nfs/dbraw/zinc/68/60/71/181686071.db2.gz WJINSFDODLDSPS-UHFFFAOYSA-N 0 0 239.250 2.488 10 0 BEAERN Nc1cc(F)ccc1OCCc1ccncc1 ZINC000052064995 181688393 /nfs/dbraw/zinc/68/83/93/181688393.db2.gz KUHZJEDRUAPLLU-UHFFFAOYSA-N 0 0 232.258 2.424 10 0 BEAERN Nc1n[nH]cc1Cc1cccc(Cl)c1 ZINC000019730128 181664695 /nfs/dbraw/zinc/66/46/95/181664695.db2.gz KOAFBXPKVHBGJI-UHFFFAOYSA-N 0 0 207.664 2.236 10 0 BEAERN Nc1n[nH]cc1-c1nc2ccccc2n1C1CC1 ZINC000035056330 181665184 /nfs/dbraw/zinc/66/51/84/181665184.db2.gz ROQIFIQZXZZHGV-UHFFFAOYSA-N 0 0 239.282 2.344 10 0 BEAERN Nc1ccc(-c2nccc3[nH]c(=O)ccc32)cc1 ZINC000013731325 181696775 /nfs/dbraw/zinc/69/67/75/181696775.db2.gz BHOFTHJUIDFRSC-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN CCCSCC(=O)NCCCCSC ZINC000125847461 371421614 /nfs/dbraw/zinc/42/16/14/371421614.db2.gz QDLQDDUZXDMNEW-UHFFFAOYSA-N 0 0 235.418 2.389 10 0 BEAERN Nc1ccc(Cl)cc1C(=O)Nc1ccon1 ZINC000061684753 181709581 /nfs/dbraw/zinc/70/95/81/181709581.db2.gz UWLSSMFPECLFGU-UHFFFAOYSA-N 0 0 237.646 2.163 10 0 BEAERN Nc1ccc(F)c(F)c1NC[C@H]1CCCO1 ZINC000053163700 181710362 /nfs/dbraw/zinc/71/03/62/181710362.db2.gz YOUHGPQMKALTQE-SSDOTTSWSA-N 0 0 228.242 2.138 10 0 BEAERN Nc1cccc(/C=C/C(=O)NC2CCCC2)c1 ZINC000032015936 181740055 /nfs/dbraw/zinc/74/00/55/181740055.db2.gz OCDDCDYIOGTRMK-CMDGGOBGSA-N 0 0 230.311 2.341 10 0 BEAERN Nc1cccc(CCC(=O)Nc2nccs2)c1 ZINC000020187205 181742367 /nfs/dbraw/zinc/74/23/67/181742367.db2.gz MJLPQVLWUVUGII-UHFFFAOYSA-N 0 0 247.323 2.297 10 0 BEAERN Nc1cccc(Cl)c1S[C@H]1CCOC1=O ZINC000037204293 181744915 /nfs/dbraw/zinc/74/49/15/181744915.db2.gz QLZJSVYZWHEFET-QMMMGPOBSA-N 0 0 243.715 2.330 10 0 BEAERN Nc1ccc(OCc2cccs2)nc1 ZINC000049584490 181722840 /nfs/dbraw/zinc/72/28/40/181722840.db2.gz QGVAYWSSYDUTPH-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN Nc1ccc(Sc2cncnc2)cc1 ZINC000083252069 181724937 /nfs/dbraw/zinc/72/49/37/181724937.db2.gz XSDMPIBVILSBKU-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN Nc1ccsc1C(=O)NCc1cccs1 ZINC000040302584 181767195 /nfs/dbraw/zinc/76/71/95/181767195.db2.gz LYOLJOCWVDIKQG-UHFFFAOYSA-N 0 0 238.337 2.322 10 0 BEAERN Nc1cn2nc(-c3cccs3)sc2n1 ZINC000082539097 181767267 /nfs/dbraw/zinc/76/72/67/181767267.db2.gz JUMOETAJZGKQDN-UHFFFAOYSA-N 0 0 222.298 2.102 10 0 BEAERN Nc1cnc(C(F)(F)F)c(OC2CC2)c1 ZINC000095737314 181768407 /nfs/dbraw/zinc/76/84/07/181768407.db2.gz FGJUAPRFTFIOIP-UHFFFAOYSA-N 0 0 218.178 2.224 10 0 BEAERN Nc1cnc(OC2CCCCCC2)nc1 ZINC000040456161 181768795 /nfs/dbraw/zinc/76/87/95/181768795.db2.gz RVNMTBYDMCGFIF-UHFFFAOYSA-N 0 0 207.277 2.160 10 0 BEAERN Nc1cnccc1SCc1ccncc1 ZINC000037190283 181770915 /nfs/dbraw/zinc/77/09/15/181770915.db2.gz DZUPVVQYLXXRDF-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN Nc1ccccc1[C@@H](O)COC1CCCC1 ZINC000051327413 181758325 /nfs/dbraw/zinc/75/83/25/181758325.db2.gz QNGAYKGYQLPQIR-ZDUSSCGKSA-N 0 0 221.300 2.261 10 0 BEAERN Nc1ccnc(Sc2cccs2)n1 ZINC000161749983 371560707 /nfs/dbraw/zinc/56/07/07/371560707.db2.gz HDSYVZMKUSOSEL-UHFFFAOYSA-N 0 0 209.299 2.272 10 0 BEAERN CC[C@H](NC(=O)[C@H](C)SC)c1nccs1 ZINC000131124005 371560866 /nfs/dbraw/zinc/56/08/66/371560866.db2.gz ZWKRPMBEXQZECG-YUMQZZPRSA-N 0 0 244.385 2.462 10 0 BEAERN CC(C)CCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000131271677 371580308 /nfs/dbraw/zinc/58/03/08/371580308.db2.gz SSMOOQNNGDWRNT-QWRGUYRKSA-N 0 0 213.321 2.058 10 0 BEAERN CON[C@@H]1c2cccc(Cl)c2O[C@H]1C ZINC000131271705 371580477 /nfs/dbraw/zinc/58/04/77/371580477.db2.gz JTRKDNRVFBATJB-RCOVLWMOSA-N 0 0 213.664 2.313 10 0 BEAERN CCn1cc(Oc2cc(Cl)ncn2)cn1 ZINC000162008429 371599887 /nfs/dbraw/zinc/59/98/87/371599887.db2.gz CSVXTYHOTHQQLK-UHFFFAOYSA-N 0 0 224.651 2.139 10 0 BEAERN C[C@@H](CC(F)(F)F)Nc1ccnn1C ZINC000131419262 371602883 /nfs/dbraw/zinc/60/28/83/371602883.db2.gz JYOIOKKXGYFORM-LURJTMIESA-N 0 0 207.199 2.173 10 0 BEAERN CCCCc1nnc2cncc(Cl)n21 ZINC000162077925 371607717 /nfs/dbraw/zinc/60/77/17/371607717.db2.gz DVKGOFGALZEIIP-UHFFFAOYSA-N 0 0 210.668 2.120 10 0 BEAERN Clc1cncc2nnc(C3CCCC3)n21 ZINC000162070879 371608443 /nfs/dbraw/zinc/60/84/43/371608443.db2.gz JXMFYDMMLAWXNP-UHFFFAOYSA-N 0 0 222.679 2.435 10 0 BEAERN Nc1cnn(CCCCc2ccccc2)c1 ZINC000077307654 181772443 /nfs/dbraw/zinc/77/24/43/181772443.db2.gz SGLAAYPDICEBGM-UHFFFAOYSA-N 0 0 215.300 2.488 10 0 BEAERN COc1ccc(Cl)cc1C(F)(F)CN ZINC000131742863 371664450 /nfs/dbraw/zinc/66/44/50/371664450.db2.gz KIAVOEXCCOPSEU-UHFFFAOYSA-N 0 0 221.634 2.399 10 0 BEAERN CC(C)(C)OC(=O)c1ccc(O)cc1F ZINC000226433348 371667966 /nfs/dbraw/zinc/66/79/66/371667966.db2.gz DJOIIDHZXLCTFQ-UHFFFAOYSA-N 0 0 212.220 2.487 10 0 BEAERN C[C@H](c1ccsc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445189 371668755 /nfs/dbraw/zinc/66/87/55/371668755.db2.gz PYOUGHXWWMOYRB-RKDXNWHRSA-N 0 0 225.313 2.216 10 0 BEAERN COC1(C(=O)c2cncc(C)c2)CCC1 ZINC000131609393 371631140 /nfs/dbraw/zinc/63/11/40/371631140.db2.gz LZQZKQPIKLQEGB-UHFFFAOYSA-N 0 0 205.257 2.142 10 0 BEAERN Nc1nc2c(s1)c(F)c(F)c(F)c2F ZINC000045237364 181789621 /nfs/dbraw/zinc/78/96/21/181789621.db2.gz MVIHWYQJGLQSIR-UHFFFAOYSA-N 0 0 222.166 2.435 10 0 BEAERN C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396332 371660370 /nfs/dbraw/zinc/66/03/70/371660370.db2.gz IKQFBOLXUTZYBN-VHSXEESVSA-N 0 0 223.272 2.137 10 0 BEAERN Cc1cc(F)cc(-c2nsc(N)n2)c1 ZINC000162514921 371704885 /nfs/dbraw/zinc/70/48/85/371704885.db2.gz PJGLCYXKKRHJJB-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN O=c1cc[nH]n1-c1c(F)cccc1Cl ZINC000131909404 371709727 /nfs/dbraw/zinc/70/97/27/371709727.db2.gz XUJFITPJWYMNOJ-UHFFFAOYSA-N 0 0 212.611 2.370 10 0 BEAERN Cc1nc(Cc2nc(N)c(C)s2)cs1 ZINC000131920637 371714822 /nfs/dbraw/zinc/71/48/22/371714822.db2.gz SPKRLXSHPQSFBO-UHFFFAOYSA-N 0 0 225.342 2.389 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(c2ncc(N)s2)C1 ZINC000226746072 371735599 /nfs/dbraw/zinc/73/55/99/371735599.db2.gz PKVIVJZODBZPFH-HTQZYQBOSA-N 0 0 211.334 2.350 10 0 BEAERN Cn1cc(N)c(-c2ccc(Br)o2)n1 ZINC000131806430 371682943 /nfs/dbraw/zinc/68/29/43/371682943.db2.gz UBVLWTGTQUTIJA-UHFFFAOYSA-N 0 0 242.076 2.025 10 0 BEAERN CNCC(F)(F)c1cc(F)cc(F)c1 ZINC000131804819 371683288 /nfs/dbraw/zinc/68/32/88/371683288.db2.gz TYDJPFORXBFDRK-UHFFFAOYSA-N 0 0 207.170 2.276 10 0 BEAERN CC1(C)CN(c2ncc(N)s2)CCS1 ZINC000226753010 371737755 /nfs/dbraw/zinc/73/77/55/371737755.db2.gz ZEBZETOCKKCZPW-UHFFFAOYSA-N 0 0 229.374 2.057 10 0 BEAERN Nc1csc([C@H]2CSCCS2)n1 ZINC000131849637 371697314 /nfs/dbraw/zinc/69/73/14/371697314.db2.gz GGWQNDRALHVQML-RXMQYKEDSA-N 0 0 218.372 2.246 10 0 BEAERN Cc1cc(F)cc(C2N=NC(=S)N2)c1 ZINC000131871672 371699868 /nfs/dbraw/zinc/69/98/68/371699868.db2.gz KYSOOXMPAYQEIH-UHFFFAOYSA-N 0 0 209.249 2.208 10 0 BEAERN COC(=O)c1ccc(C)c(Br)c1N ZINC000131867809 371699996 /nfs/dbraw/zinc/69/99/96/371699996.db2.gz CAILNYUDWDRPKW-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CCOC(C)(C)C1 ZINC000216433731 371755976 /nfs/dbraw/zinc/75/59/76/371755976.db2.gz KBHLOXPXGFGQSL-MRVPVSSYSA-N 0 0 229.711 2.370 10 0 BEAERN CCNc1c(Cl)cc(N)cc1C(=O)OC ZINC000226921555 371757391 /nfs/dbraw/zinc/75/73/91/371757391.db2.gz FYLGQKVCJKKVOT-UHFFFAOYSA-N 0 0 228.679 2.141 10 0 BEAERN Cc1ccc(F)c(I)n1 ZINC000216502806 371760234 /nfs/dbraw/zinc/76/02/34/371760234.db2.gz LEAWKGFYLYGGHI-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN CC[C@H]1Oc2c(Cl)ncnc2N[C@@H]1C ZINC000132208508 371766085 /nfs/dbraw/zinc/76/60/85/371766085.db2.gz XFMHLMAXWMJJBE-PHDIDXHHSA-N 0 0 213.668 2.101 10 0 BEAERN CC[C@@H]1Nc2ncnc(Cl)c2O[C@H]1C ZINC000132209586 371766208 /nfs/dbraw/zinc/76/62/08/371766208.db2.gz NRZCLBMVCWLTTL-WDSKDSINSA-N 0 0 213.668 2.101 10 0 BEAERN Nc1nccc(/C=C/c2ccccc2F)n1 ZINC000058602875 181800162 /nfs/dbraw/zinc/80/01/62/181800162.db2.gz FUKWBBBWJYHPRK-AATRIKPKSA-N 0 0 215.231 2.368 10 0 BEAERN Nc1nonc1-c1ccccc1Br ZINC000055335991 181817390 /nfs/dbraw/zinc/81/73/90/181817390.db2.gz KKPOQICSZWAIDH-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN Nc1ncncc1-c1cccc(Cl)c1 ZINC000026465767 181811364 /nfs/dbraw/zinc/81/13/64/181811364.db2.gz PDDOXCGYIPQCJU-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CC[C@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000132409873 371815218 /nfs/dbraw/zinc/81/52/18/371815218.db2.gz ZQCVFJPSYDNERE-KXNHARMFSA-N 0 0 240.347 2.042 10 0 BEAERN Nc1ccc(Cl)nc1NC1CC=CC1 ZINC000132435972 371823214 /nfs/dbraw/zinc/82/32/14/371823214.db2.gz LOEJLXMWSRCJNC-UHFFFAOYSA-N 0 0 209.680 2.448 10 0 BEAERN O[C@H](c1ccn(C(F)F)c1)C(F)(F)F ZINC000132451469 371826171 /nfs/dbraw/zinc/82/61/71/371826171.db2.gz RAMLRJJUPQOASR-RXMQYKEDSA-N 0 0 215.121 2.479 10 0 BEAERN CC[C@@H](c1ccc(O)cc1)N1CCOCC1 ZINC000132449797 371826840 /nfs/dbraw/zinc/82/68/40/371826840.db2.gz QMEGLCDTFVKRFL-ZDUSSCGKSA-N 0 0 221.300 2.176 10 0 BEAERN Nc1sc(Cl)nc1C(F)(F)F ZINC000034464389 181820809 /nfs/dbraw/zinc/82/08/09/181820809.db2.gz XWGFRLUVLURJCH-UHFFFAOYSA-N 0 0 202.588 2.398 10 0 BEAERN C[C@@H]1CCO[C@H]1c1nc(Br)ns1 ZINC000230109878 371850510 /nfs/dbraw/zinc/85/05/10/371850510.db2.gz XVSNZXILRHDCTL-RFZPGFLSSA-N 0 0 249.133 2.398 10 0 BEAERN C[C@H]1C[C@@H](c2nc(Br)ns2)CO1 ZINC000230109588 371850644 /nfs/dbraw/zinc/85/06/44/371850644.db2.gz YEXWSCFYIIKYDR-CRCLSJGQSA-N 0 0 249.133 2.193 10 0 BEAERN C[C@H]1CCO[C@H]1c1nc(Br)ns1 ZINC000230109882 371851019 /nfs/dbraw/zinc/85/10/19/371851019.db2.gz XVSNZXILRHDCTL-CRCLSJGQSA-N 0 0 249.133 2.398 10 0 BEAERN C[C@@H]1C[C@@H]1c1nc(Br)ns1 ZINC000230110058 371852651 /nfs/dbraw/zinc/85/26/51/371852651.db2.gz OTXAUPCDVSFOFE-DMTCNVIQSA-N 0 0 219.107 2.424 10 0 BEAERN C[C@H]1OCC[C@@H]1c1nc(Cl)ns1 ZINC000230113496 371854014 /nfs/dbraw/zinc/85/40/14/371854014.db2.gz WJXOFMVJMIXTKA-UHNVWZDZSA-N 0 0 204.682 2.084 10 0 BEAERN Nc1c(Br)cccc1-n1ccnc1 ZINC000217064863 371878964 /nfs/dbraw/zinc/87/89/64/371878964.db2.gz PRRHLTZPOMVPEV-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN CC(=O)c1cnc(-c2ncc(C)cn2)s1 ZINC000132723758 371908521 /nfs/dbraw/zinc/90/85/21/371908521.db2.gz LCGNEVXPLMVNSH-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN CN(c1ccnc(F)c1)[C@H]1CCSC1 ZINC000227640315 371911359 /nfs/dbraw/zinc/91/13/59/371911359.db2.gz KGKNIVCYZPTHKV-VIFPVBQESA-N 0 0 212.293 2.162 10 0 BEAERN Cn1cc(Sc2ccnc(F)c2)cn1 ZINC000227647133 371914692 /nfs/dbraw/zinc/91/46/92/371914692.db2.gz CKWYZEJPAUZIIO-UHFFFAOYSA-N 0 0 209.249 2.105 10 0 BEAERN C[C@@H]1CCN1c1cc(Br)ccn1 ZINC000227654832 371916917 /nfs/dbraw/zinc/91/69/17/371916917.db2.gz BAZDGTMCUSZBJZ-SSDOTTSWSA-N 0 0 227.105 2.443 10 0 BEAERN CO[C@H]1C(=O)C[C@H]1OC1CCCCCC1 ZINC000132772750 371920288 /nfs/dbraw/zinc/92/02/88/371920288.db2.gz VBFRRYKHEGFCDD-NEPJUHHUSA-N 0 0 212.289 2.082 10 0 BEAERN C[C@@H]1OCC[C@H]1N(C)c1ccnc(Cl)c1 ZINC000227688473 371921398 /nfs/dbraw/zinc/92/13/98/371921398.db2.gz HOQMLKQNNKAAGO-WCBMZHEXSA-N 0 0 226.707 2.349 10 0 BEAERN C=CC(=O)Nc1ccc(C)c(N(C)C)c1 ZINC000227980759 371966138 /nfs/dbraw/zinc/96/61/38/371966138.db2.gz SOZFAACFDDDUEQ-UHFFFAOYSA-N 0 0 204.273 2.186 10 0 BEAERN C[C@H](c1ccc(Cl)cc1)N(C)C(N)=O ZINC000058118613 371969926 /nfs/dbraw/zinc/96/99/26/371969926.db2.gz HIFDKQLCYFWWFD-SSDOTTSWSA-N 0 0 212.680 2.412 10 0 BEAERN CCC[C@H](C(C)=O)C(=O)NCCc1ccccc1 ZINC000217535944 371974723 /nfs/dbraw/zinc/97/47/23/371974723.db2.gz UASORKWQUVOZNC-CQSZACIVSA-N 0 0 247.338 2.351 10 0 BEAERN CN[C@H](c1csc(C)c1)c1cnsn1 ZINC000163500461 372002895 /nfs/dbraw/zinc/00/28/95/372002895.db2.gz HHISJSOSNQJSAP-SECBINFHSA-N 0 0 225.342 2.217 10 0 BEAERN C[C@@H](CC1N=NC(=S)N1C)C(C)(C)C ZINC000228196057 372003171 /nfs/dbraw/zinc/00/31/71/372003171.db2.gz ULXGPIGTDZDISO-ZETCQYMHSA-N 0 0 213.350 2.329 10 0 BEAERN CCN1C(=S)N=NC1C1(C)CCCC1 ZINC000228198222 372003234 /nfs/dbraw/zinc/00/32/34/372003234.db2.gz NIDDARMAUIDGSL-UHFFFAOYSA-N 0 0 211.334 2.418 10 0 BEAERN COC[C@@H](C)Nc1cc(Cl)ccc1N ZINC000228405389 372024288 /nfs/dbraw/zinc/02/42/88/372024288.db2.gz BNHKOQWPGRYUFU-SSDOTTSWSA-N 0 0 214.696 2.369 10 0 BEAERN CCN(c1nc(Cl)ccc1N)C1CC1 ZINC000228440072 372027551 /nfs/dbraw/zinc/02/75/51/372027551.db2.gz JWJKXECJMPVUOA-UHFFFAOYSA-N 0 0 211.696 2.306 10 0 BEAERN C[C@@H](c1nnc2c(Cl)nccn21)C1CC1 ZINC000163711612 372037645 /nfs/dbraw/zinc/03/76/45/372037645.db2.gz OTAHLAWJYZTIRD-ZCFIWIBFSA-N 0 0 222.679 2.291 10 0 BEAERN C[C@H](NOCc1ccccc1)C(F)F ZINC000228519157 372040739 /nfs/dbraw/zinc/04/07/39/372040739.db2.gz RSYUEECGLKSFJC-QMMMGPOBSA-N 0 0 201.216 2.361 10 0 BEAERN CCc1cnc([C@@H]2NC[C@H](C)S2)s1 ZINC000306598174 372043187 /nfs/dbraw/zinc/04/31/87/372043187.db2.gz PGMJULBSJDXRBU-POYBYMJQSA-N 0 0 214.359 2.429 10 0 BEAERN CCc1cnc([C@H]2NC[C@H](C)S2)s1 ZINC000306598176 372043653 /nfs/dbraw/zinc/04/36/53/372043653.db2.gz PGMJULBSJDXRBU-XPUUQOCRSA-N 0 0 214.359 2.429 10 0 BEAERN CCc1nc(-c2coc(Br)c2)n[nH]1 ZINC000306635291 372048576 /nfs/dbraw/zinc/04/85/76/372048576.db2.gz ZHALXMQLYJKTBG-UHFFFAOYSA-N 0 0 242.076 2.390 10 0 BEAERN Cc1c(Cl)cccc1NC[C@@H](O)CF ZINC000306641697 372048899 /nfs/dbraw/zinc/04/88/99/372048899.db2.gz RBDQIJXMQJJAHB-QMMMGPOBSA-N 0 0 217.671 2.391 10 0 BEAERN CC(=O)c1cn(Cc2ccc(Cl)s2)nn1 ZINC000306638447 372048944 /nfs/dbraw/zinc/04/89/44/372048944.db2.gz BXVPYNKWEYAVAE-UHFFFAOYSA-N 0 0 241.703 2.244 10 0 BEAERN CS(C)(=O)=Nc1ccc(N)c(Cl)c1 ZINC000306712842 372058861 /nfs/dbraw/zinc/05/88/61/372058861.db2.gz UUDYRXQRXPKAKT-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN S=C1N=NC([C@H]2CCSC2)N1C1CC1 ZINC000228207088 372003866 /nfs/dbraw/zinc/00/38/66/372003866.db2.gz YPZWEZSPAQYWOG-LURJTMIESA-N 0 0 227.358 2.122 10 0 BEAERN CC(C)n1c(C(F)(F)F)n[nH]c1=S ZINC000228203249 372004014 /nfs/dbraw/zinc/00/40/14/372004014.db2.gz XFQYWPKTPXFEOW-UHFFFAOYSA-N 0 0 211.212 2.167 10 0 BEAERN CC(C)N1C(=S)N=NC1c1ccoc1 ZINC000228205656 372004372 /nfs/dbraw/zinc/00/43/72/372004372.db2.gz MBKWDZFZTYSAGM-UHFFFAOYSA-N 0 0 209.274 2.408 10 0 BEAERN C[C@@H]1C[C@@H]1C1N=NC(=S)N1C(C)(C)C ZINC000228210631 372004497 /nfs/dbraw/zinc/00/44/97/372004497.db2.gz XBTOCRYAEWGJBA-RQJHMYQMSA-N 0 0 211.334 2.445 10 0 BEAERN O=C1C[C@H](c2cc(F)cc(Br)c2)N1 ZINC000306281190 372005641 /nfs/dbraw/zinc/00/56/41/372005641.db2.gz VVYWHULWZIUKEH-MRVPVSSYSA-N 0 0 244.063 2.149 10 0 BEAERN O=C1Cc2c(c(F)cc(F)c2Br)N1 ZINC000228222670 372006200 /nfs/dbraw/zinc/00/62/00/372006200.db2.gz AJRUXVUDUIBKDT-UHFFFAOYSA-N 0 0 248.026 2.222 10 0 BEAERN O=Cc1nc2c(s1)[C@H]1CC[C@@H](C2)S1 ZINC000403558225 372006322 /nfs/dbraw/zinc/00/63/22/372006322.db2.gz IZBOIKOPUTUAMW-CAHLUQPWSA-N 0 0 211.311 2.448 10 0 BEAERN Cn1cnnc1-c1ccc(F)cc1Cl ZINC000228238841 372008086 /nfs/dbraw/zinc/00/80/86/372008086.db2.gz PMURHEWBHHFSCR-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN O=Cc1csc(-c2ccncc2F)n1 ZINC000133795145 372112678 /nfs/dbraw/zinc/11/26/78/372112678.db2.gz OJIRMXLCEYSIQM-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN Cc1ncc(C(=O)c2cnsc2)s1 ZINC000404804655 372118043 /nfs/dbraw/zinc/11/80/43/372118043.db2.gz QYEORDBHBHNADP-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN Cc1cc(N[S@@](=O)C(C)C)ccc1O ZINC000306807358 372068859 /nfs/dbraw/zinc/06/88/59/372068859.db2.gz MCODSMATUQBLQT-AWEZNQCLSA-N 0 0 213.302 2.185 10 0 BEAERN Cc1cc(N[S@](=O)C(C)C)ccc1O ZINC000306807359 372069052 /nfs/dbraw/zinc/06/90/52/372069052.db2.gz MCODSMATUQBLQT-CQSZACIVSA-N 0 0 213.302 2.185 10 0 BEAERN C[C@@H](O)CCNc1ccc(F)cc1F ZINC000133543701 372072287 /nfs/dbraw/zinc/07/22/87/372072287.db2.gz OGGNWMCXSNBWOI-SSDOTTSWSA-N 0 0 201.216 2.148 10 0 BEAERN O=c1[nH]c(C2CCC2)nc2c1CSCC2 ZINC000606303591 372093043 /nfs/dbraw/zinc/09/30/43/372093043.db2.gz SLQXBOJBKGGWRY-UHFFFAOYSA-N 0 0 222.313 2.239 10 0 BEAERN Nc1ccnc(-c2nc(C(F)(F)F)c[nH]2)c1 ZINC000606303517 372093055 /nfs/dbraw/zinc/09/30/55/372093055.db2.gz RBEKDFOMAKOIPG-UHFFFAOYSA-N 0 0 228.177 2.073 10 0 BEAERN COC(=O)[C@@H]1C[C@@H](F)C[C@H](C(F)(F)F)C1 ZINC000606303267 372093428 /nfs/dbraw/zinc/09/34/28/372093428.db2.gz CQNHNRQHWAWXLK-RRKCRQDMSA-N 0 0 228.185 2.476 10 0 BEAERN CC[C@]1(C)C(=O)N[C@H]1c1csc(C)n1 ZINC000307443467 372120816 /nfs/dbraw/zinc/12/08/16/372120816.db2.gz AUMXQSICVOYTRD-WPRPVWTQSA-N 0 0 210.302 2.039 10 0 BEAERN C[C@@H]1Cc2[nH]c(=S)sc2[C@H](C)O1 ZINC000133719416 372094178 /nfs/dbraw/zinc/09/41/78/372094178.db2.gz GCHXFGVZWXZIOO-UHNVWZDZSA-N 0 0 201.316 2.454 10 0 BEAERN C[C@H]1COCCN1c1csc(Cl)n1 ZINC000307202611 372097413 /nfs/dbraw/zinc/09/74/13/372097413.db2.gz FVGVMTOUPGNOHC-LURJTMIESA-N 0 0 218.709 2.022 10 0 BEAERN Cc1nc([C@]2(O)CCC[C@@H]3C[C@@H]32)cs1 ZINC000307237568 372100330 /nfs/dbraw/zinc/10/03/30/372100330.db2.gz GUMZYNDHGOUIPJ-YWVKMMECSA-N 0 0 209.314 2.459 10 0 BEAERN CN(C)Nc1cc(Cl)c(Cl)cc1N ZINC000133931530 372134424 /nfs/dbraw/zinc/13/44/24/372134424.db2.gz FALHIZDIRFVUNH-UHFFFAOYSA-N 0 0 220.103 2.464 10 0 BEAERN O=C1NCCCC[C@H]1Cc1ccsc1 ZINC000133948587 372137954 /nfs/dbraw/zinc/13/79/54/372137954.db2.gz TXGIIFMRWZPMFD-JTQLQIEISA-N 0 0 209.314 2.207 10 0 BEAERN C[C@H](Nc1nsnc1Cl)c1ncc[nH]1 ZINC000229339863 372144435 /nfs/dbraw/zinc/14/44/35/372144435.db2.gz CDLHCAHAWNVPOD-BYPYZUCNSA-N 0 0 229.696 2.088 10 0 BEAERN CC(C)Sc1nc(N)c(F)cc1F ZINC000232679828 372153081 /nfs/dbraw/zinc/15/30/81/372153081.db2.gz UJXXTLCDRWSBEV-UHFFFAOYSA-N 0 0 204.245 2.443 10 0 BEAERN CC(C)[C@@H](O)C(=O)c1cccc(F)c1F ZINC000232720785 372156332 /nfs/dbraw/zinc/15/63/32/372156332.db2.gz LXDGYYUMYSHCHT-SNVBAGLBSA-N 0 0 214.211 2.164 10 0 BEAERN Cc1cc([C@@H](O)[C@H](O)C(C)C)cs1 ZINC000232723907 372156704 /nfs/dbraw/zinc/15/67/04/372156704.db2.gz ZUNILRCXBNOUBG-NXEZZACHSA-N 0 0 200.303 2.107 10 0 BEAERN Cc1cc(C)c(NC(=O)C(F)(F)F)cc1N ZINC000229559793 372166345 /nfs/dbraw/zinc/16/63/45/372166345.db2.gz ICRNPMYOBVWPLA-UHFFFAOYSA-N 0 0 232.205 2.386 10 0 BEAERN COC(=O)/C=C/c1cc(F)c(F)cc1F ZINC000229652424 372177494 /nfs/dbraw/zinc/17/74/94/372177494.db2.gz AHJOXCCWHQXOFZ-NSCUHMNNSA-N 0 0 216.158 2.290 10 0 BEAERN CC(=O)c1nc(-c2cncs2)cs1 ZINC000229154967 372123841 /nfs/dbraw/zinc/12/38/41/372123841.db2.gz JTOCUDLZZZNLHI-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN O=C(c1ccc(Cl)s1)N1CCCC(=O)C1 ZINC000133912657 372130083 /nfs/dbraw/zinc/13/00/83/372130083.db2.gz QTTQDXRBNJFRFV-UHFFFAOYSA-N 0 0 243.715 2.207 10 0 BEAERN CCCCN1C(=O)Cc2ccc(Cl)nc21 ZINC000089222130 168824298 /nfs/dbraw/zinc/82/42/98/168824298.db2.gz FJHQZUQBDUYGGU-UHFFFAOYSA-N 0 0 224.691 2.424 10 0 BEAERN C[C@H]1C[C@H](NOCc2ccccc2)CCO1 ZINC000134265940 372189226 /nfs/dbraw/zinc/18/92/26/372189226.db2.gz DFPFJCWFTBDFFT-WCQYABFASA-N 0 0 221.300 2.275 10 0 BEAERN O=C1CC[C@H](Cc2cc(Cl)cs2)N1 ZINC000134320288 372196186 /nfs/dbraw/zinc/19/61/86/372196186.db2.gz OWOMQXLAVKXNSJ-SSDOTTSWSA-N 0 0 215.705 2.223 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000139949062 372296222 /nfs/dbraw/zinc/29/62/22/372296222.db2.gz SLYQEJBYVKKBNK-AAEUAGOBSA-N 0 0 249.310 2.168 10 0 BEAERN COc1cccc([C@H](C)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000171046302 372274129 /nfs/dbraw/zinc/27/41/29/372274129.db2.gz FDBTTXZVSWWHEQ-NRUUGDAUSA-N 0 0 233.311 2.323 10 0 BEAERN O[C@H](Cc1ccccc1)C(F)(F)Cl ZINC000038252002 372524125 /nfs/dbraw/zinc/52/41/25/372524125.db2.gz IWLDMHPITNEUHU-MRVPVSSYSA-N 0 0 206.619 2.422 10 0 BEAERN COc1cc(C)cc(O)c1Br ZINC000038293518 372531138 /nfs/dbraw/zinc/53/11/38/372531138.db2.gz DYYKOEWGLIGYJU-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN CC(=O)NC1=CCc2cc(Cl)ccc21 ZINC000038392320 372567848 /nfs/dbraw/zinc/56/78/48/372567848.db2.gz IABASIUFUNLIIL-UHFFFAOYSA-N 0 0 207.660 2.373 10 0 BEAERN Nc1ccc(F)c(F)c1OC(F)(F)F ZINC000140370397 372589042 /nfs/dbraw/zinc/58/90/42/372589042.db2.gz SLKNBZLFRDUCRQ-UHFFFAOYSA-N 0 0 213.105 2.446 10 0 BEAERN CCOC(=O)c1cc(F)c(F)cc1C ZINC000140434462 372675505 /nfs/dbraw/zinc/67/55/05/372675505.db2.gz UCSIRNFPZPEJDC-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN COC(=O)c1c(O)cc(Cl)cc1Cl ZINC000140626307 372736155 /nfs/dbraw/zinc/73/61/55/372736155.db2.gz SKXNDSBUOUAYHR-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN O=C(CSC1CCOCC1)c1ccc[nH]1 ZINC000062055250 182008445 /nfs/dbraw/zinc/00/84/45/182008445.db2.gz MGPYUISDHCTTDI-UHFFFAOYSA-N 0 0 225.313 2.110 10 0 BEAERN O=C(CSCc1ccccc1F)NC1CC1 ZINC000057679902 182009490 /nfs/dbraw/zinc/00/94/90/182009490.db2.gz KMBLKHPLRGLLNS-UHFFFAOYSA-N 0 0 239.315 2.338 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCSC[C@@H]1C ZINC000172343250 372949971 /nfs/dbraw/zinc/94/99/71/372949971.db2.gz QMIYAZYLCKQQRP-UWVGGRQHSA-N 0 0 230.377 2.178 10 0 BEAERN O=C(Cc1ccccc1F)CN1CCCCC1 ZINC000037333076 182045166 /nfs/dbraw/zinc/04/51/66/182045166.db2.gz PAWVRMZQDFRGRI-UHFFFAOYSA-N 0 0 235.302 2.423 10 0 BEAERN O=C(Cn1ccnc1)c1ccc(Cl)cc1O ZINC000029129757 182070830 /nfs/dbraw/zinc/07/08/30/182070830.db2.gz PSOMARMCJMDISA-UHFFFAOYSA-N 0 0 236.658 2.125 10 0 BEAERN COc1cc(Cl)c([C@H](C)O)cc1OC ZINC000040216926 373116988 /nfs/dbraw/zinc/11/69/88/373116988.db2.gz ZEMOMSFFAKSRBP-LURJTMIESA-N 0 0 216.664 2.411 10 0 BEAERN O=C(Cn1ncc2ccccc21)C1CC1 ZINC000068900513 373086254 /nfs/dbraw/zinc/08/62/54/373086254.db2.gz KILQOXXHJFNWLF-UHFFFAOYSA-N 0 0 200.241 2.015 10 0 BEAERN Brc1nn2cc(C3CC3)nc2s1 ZINC000068906928 373089232 /nfs/dbraw/zinc/08/92/32/373089232.db2.gz MVXKGSXJNVBDHB-UHFFFAOYSA-N 0 0 244.117 2.431 10 0 BEAERN Cc1csc(NC(C)(C)CCO)n1 ZINC000142245781 373117275 /nfs/dbraw/zinc/11/72/75/373117275.db2.gz JGBKSHLGFDQYBX-UHFFFAOYSA-N 0 0 200.307 2.024 10 0 BEAERN O=Cc1nc(-c2c(F)cccc2F)c[nH]1 ZINC000068945628 373095219 /nfs/dbraw/zinc/09/52/19/373095219.db2.gz HOTICYMDMWCVED-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN CC(C)(C)[C@@H]1CCc2[nH]c(C=O)nc2C1 ZINC000068945604 373095411 /nfs/dbraw/zinc/09/54/11/373095411.db2.gz ZCKGHWJARIRQKU-MRVPVSSYSA-N 0 0 206.289 2.373 10 0 BEAERN CSCCNc1cc(C)nc(Cl)n1 ZINC000069016249 373105923 /nfs/dbraw/zinc/10/59/23/373105923.db2.gz KBLVFJHJDAQRMK-UHFFFAOYSA-N 0 0 217.725 2.213 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000069028572 373108348 /nfs/dbraw/zinc/10/83/48/373108348.db2.gz QNIXSLNQQDQILC-NXEZZACHSA-N 0 0 206.289 2.429 10 0 BEAERN O=[N+]([O-])c1cc(Cl)c(CO)c(Cl)c1 ZINC000142166256 373111043 /nfs/dbraw/zinc/11/10/43/373111043.db2.gz RZETUNABIJOOEN-UHFFFAOYSA-N 0 0 222.027 2.394 10 0 BEAERN O=C(N1CCCC12CC=CC2)C(F)(F)F ZINC000039055741 182079671 /nfs/dbraw/zinc/07/96/71/182079671.db2.gz UYPDSCYIBRMKPT-UHFFFAOYSA-N 0 0 219.206 2.260 10 0 BEAERN C[C@H](CC(=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245225167 373198646 /nfs/dbraw/zinc/19/86/46/373198646.db2.gz OQVWISGFGXGBBL-UTUOFQBUSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@H](C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000245225608 373198675 /nfs/dbraw/zinc/19/86/75/373198675.db2.gz ZDMPFTKSZIQVIC-WOPDTQHZSA-N 0 0 225.332 2.219 10 0 BEAERN O=C(N1C[C@H]2CCCCC[C@H]21)C(F)(F)F ZINC000378078255 182083171 /nfs/dbraw/zinc/08/31/71/182083171.db2.gz OMSLNICPMAUDEN-HTQZYQBOSA-N 0 0 221.222 2.340 10 0 BEAERN O=C(NC1CC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109080140 182099094 /nfs/dbraw/zinc/09/90/94/182099094.db2.gz IPGZXVNTUSTGLP-ZJUUUORDSA-N 0 0 237.249 2.347 10 0 BEAERN O=C(NC1CCCCC1)[C@@H]1CCCc2n[nH]cc21 ZINC000131593396 182112787 /nfs/dbraw/zinc/11/27/87/182112787.db2.gz DWWMCVUBUSHYIF-LLVKDONJSA-N 0 0 247.342 2.279 10 0 BEAERN C=CC(=O)N[C@H](C)c1sc(C)nc1C ZINC000040518938 373421272 /nfs/dbraw/zinc/42/12/72/373421272.db2.gz BQXNYBHZOZTEFJ-SSDOTTSWSA-N 0 0 210.302 2.123 10 0 BEAERN O=C(NCC1CCCC1)N1C[C@H]2CCC[C@H]21 ZINC000336447511 182144208 /nfs/dbraw/zinc/14/42/08/182144208.db2.gz JISGAJXDOZGWSQ-VXGBXAGGSA-N 0 0 222.332 2.371 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)N[C@@H]1CCCOCC1 ZINC000183578453 205684373 /nfs/dbraw/zinc/68/43/73/205684373.db2.gz IWDOGLOVNZYVHV-CMPLNLGQSA-N 0 0 240.347 2.043 10 0 BEAERN COCCc1ccc(Br)nc1 ZINC000142592307 373654616 /nfs/dbraw/zinc/65/46/16/373654616.db2.gz KYMJZMBQJMQNSM-UHFFFAOYSA-N 0 0 216.078 2.033 10 0 BEAERN CC[C@@H](CC(=O)NC1CC(CO)C1)C(C)(C)C ZINC000633654355 373662900 /nfs/dbraw/zinc/66/29/00/373662900.db2.gz NTRGSRDQPMVUJC-CXQJBGSLSA-N 0 0 241.375 2.336 10 0 BEAERN CC[C@H](CC(=O)NCC1CC(O)C1)C(C)(C)C ZINC000633700781 373696898 /nfs/dbraw/zinc/69/68/98/373696898.db2.gz AKDVFTTXBPOZDL-MOENNCHZSA-N 0 0 241.375 2.336 10 0 BEAERN COc1cc(C)nc(Br)c1 ZINC000142680412 373821983 /nfs/dbraw/zinc/82/19/83/373821983.db2.gz INSGGSVFDPIUMA-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000037982436 182199650 /nfs/dbraw/zinc/19/96/50/182199650.db2.gz YDLYVORUMJPLHM-LBPRGKRZSA-N 0 0 237.274 2.125 10 0 BEAERN CC[C@@H](C)n1ncc2c1ncnc2Cl ZINC000040931366 373933665 /nfs/dbraw/zinc/93/36/65/373933665.db2.gz HIUMSUSQTXMMCE-ZCFIWIBFSA-N 0 0 210.668 2.451 10 0 BEAERN O=C(NCCn1ccc2ccccc21)C1CC1 ZINC000000427807 182214096 /nfs/dbraw/zinc/21/40/96/182214096.db2.gz KBVPIPRQUIQIHM-UHFFFAOYSA-N 0 0 228.295 2.168 10 0 BEAERN CC[S@@](=O)Cc1cc(N)ccc1Cl ZINC000040965688 373966823 /nfs/dbraw/zinc/96/68/23/373966823.db2.gz XAZITLMVFPFZOV-ZDUSSCGKSA-N 0 0 217.721 2.191 10 0 BEAERN O=C(NCCc1ccsc1)c1cccc(O)c1 ZINC000049186177 182209815 /nfs/dbraw/zinc/20/98/15/182209815.db2.gz DMLKBWHQWKPEHW-UHFFFAOYSA-N 0 0 247.319 2.426 10 0 BEAERN COc1ccc([C@@H]2CCCCN2C(N)=O)cc1 ZINC000142924745 374113795 /nfs/dbraw/zinc/11/37/95/374113795.db2.gz FGSNTZKWODUQRB-LBPRGKRZSA-N 0 0 234.299 2.301 10 0 BEAERN Nc1ccc(C(=O)c2ccoc2)cc1F ZINC000070041959 374114709 /nfs/dbraw/zinc/11/47/09/374114709.db2.gz MYFMMMNWRXPFRD-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1ccccc1 ZINC000077208090 182224688 /nfs/dbraw/zinc/22/46/88/182224688.db2.gz FUDVFORTUGDPDO-AAEUAGOBSA-N 0 0 248.326 2.359 10 0 BEAERN O=CC(=O)c1cccc(Cl)c1Cl ZINC000143079680 374132828 /nfs/dbraw/zinc/13/28/28/374132828.db2.gz IUUDGTXQVZCWLK-UHFFFAOYSA-N 0 0 203.024 2.375 10 0 BEAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000110446032 182230810 /nfs/dbraw/zinc/23/08/10/182230810.db2.gz NYDXHZFLHQAINT-IHRRRGAJSA-N 0 0 245.322 2.085 10 0 BEAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000110452369 182230929 /nfs/dbraw/zinc/23/09/29/182230929.db2.gz GYSAQTOHXOGHNK-STQMWFEESA-N 0 0 215.296 2.316 10 0 BEAERN FC(F)c1cnc2ccc(Cl)nn21 ZINC000143278749 374147229 /nfs/dbraw/zinc/14/72/29/374147229.db2.gz AMMKNESBMRUELU-UHFFFAOYSA-N 0 0 203.579 2.320 10 0 BEAERN COc1cc(C#N)c(Br)c(OC)c1 ZINC000143292486 374147657 /nfs/dbraw/zinc/14/76/57/374147657.db2.gz RSNXJQZCALZKNR-UHFFFAOYSA-N 0 0 242.072 2.338 10 0 BEAERN Nc1cc(C(=O)c2ccco2)ccc1F ZINC000070671640 374173086 /nfs/dbraw/zinc/17/30/86/374173086.db2.gz BLMDKHRMXYDRFI-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN Cc1ccc(C(=O)c2cccc(N)c2)o1 ZINC000070671682 374173652 /nfs/dbraw/zinc/17/36/52/374173652.db2.gz QNYQLVMLVIFZEA-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN Nc1ccc(C(=O)c2ccco2)c(F)c1 ZINC000070671664 374173732 /nfs/dbraw/zinc/17/37/32/374173732.db2.gz HBOFOCAXMJLOJP-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN CC(=O)c1ccc(O)c(OC(F)(F)F)c1 ZINC000143403204 374178254 /nfs/dbraw/zinc/17/82/54/374178254.db2.gz JTICWSKLOXFPIH-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN O=C(NCc1ccc[nH]1)Nc1ccccc1 ZINC000041594717 182252719 /nfs/dbraw/zinc/25/27/19/182252719.db2.gz JYSNUAXVJFOFBM-UHFFFAOYSA-N 0 0 215.256 2.336 10 0 BEAERN CC(=O)c1csc(N2CCC[C@H]2C)n1 ZINC000070848977 374204467 /nfs/dbraw/zinc/20/44/67/374204467.db2.gz UFEJGGYFAXIREF-SSDOTTSWSA-N 0 0 210.302 2.334 10 0 BEAERN C[C@H]1CCCC[C@@H]1n1c(N)n[nH]c1=S ZINC000070881363 374221679 /nfs/dbraw/zinc/22/16/79/374221679.db2.gz DEBZTKLCXXWDEX-BQBZGAKWSA-N 0 0 212.322 2.274 10 0 BEAERN C[C@H]1CC[C@]([NH2+]C2CCCC2)(C(=O)[O-])C1 ZINC000070764031 374187131 /nfs/dbraw/zinc/18/71/31/374187131.db2.gz KSGWCJKVTXPJLE-JOYOIKCWSA-N 0 0 211.305 2.162 10 0 BEAERN CCN1C(=O)C(=O)c2c1c(F)ccc2Cl ZINC000042294194 374260120 /nfs/dbraw/zinc/26/01/20/374260120.db2.gz UXCFHWSWLAYXAG-UHFFFAOYSA-N 0 0 227.622 2.028 10 0 BEAERN Cc1cnc(Sc2cc(Cl)ncn2)nc1 ZINC000042404762 374269586 /nfs/dbraw/zinc/26/95/86/374269586.db2.gz OJFUJHJARWWACM-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN Clc1ccc2nc(-c3cccnc3)cn2n1 ZINC000042829742 374290643 /nfs/dbraw/zinc/29/06/43/374290643.db2.gz GSBHZRAODFNQSC-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN O=c1[nH]cc(-c2ccccc2Br)[nH]1 ZINC000042750026 374285696 /nfs/dbraw/zinc/28/56/96/374285696.db2.gz ZEAYTDNEHXURNE-UHFFFAOYSA-N 0 0 239.072 2.133 10 0 BEAERN O=C(NOCC(F)F)OCc1ccccc1 ZINC000090395267 182281340 /nfs/dbraw/zinc/28/13/40/182281340.db2.gz DCVPHXJCGHSQOC-UHFFFAOYSA-N 0 0 231.198 2.110 10 0 BEAERN O=C(N[C@@H]1CCC12CCCC2)N1CC(F)C1 ZINC000336274677 182292926 /nfs/dbraw/zinc/29/29/26/182292926.db2.gz HGPZQQKYSNSCJU-SNVBAGLBSA-N 0 0 226.295 2.073 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)C1CC=CC1 ZINC000119719029 182313956 /nfs/dbraw/zinc/31/39/56/182313956.db2.gz DPEIYLDSCFSFEC-GFCCVEGCSA-N 0 0 229.279 2.203 10 0 BEAERN O=C(Nc1cc(O)cc(O)c1)c1ccccc1 ZINC000006095801 182350133 /nfs/dbraw/zinc/35/01/33/182350133.db2.gz DKYHVEQQTGMTQJ-UHFFFAOYSA-N 0 0 229.235 2.350 10 0 BEAERN O=C(Nc1ccccc1)N[C@@H]1CCCC[C@@H]1CO ZINC000219069566 182375743 /nfs/dbraw/zinc/37/57/43/182375743.db2.gz SBUOBHLFSAHRPF-DGCLKSJQSA-N 0 0 248.326 2.359 10 0 BEAERN O=C(Nc1cccc2c1NCCC2)[C@H]1CCCO1 ZINC000019279750 182373314 /nfs/dbraw/zinc/37/33/14/182373314.db2.gz QOOMVUBIGLNVAT-GFCCVEGCSA-N 0 0 246.310 2.162 10 0 BEAERN O=C(Nc1cccc2c1CCCN2)[C@H]1CCCO1 ZINC000019266938 182373608 /nfs/dbraw/zinc/37/36/08/182373608.db2.gz KKHLZYYNHQPBHI-CYBMUJFWSA-N 0 0 246.310 2.162 10 0 BEAERN O=C(Nc1ccccn1)[C@@H]1C[C@@H]1c1ccco1 ZINC000123373770 182381652 /nfs/dbraw/zinc/38/16/52/182381652.db2.gz UGVVOUOPQWRPOR-VHSXEESVSA-N 0 0 228.251 2.417 10 0 BEAERN O=C(Nc1cccnc1)c1ccc2[nH]cnc2c1 ZINC000035128249 182383572 /nfs/dbraw/zinc/38/35/72/182383572.db2.gz DZXUDYUEMNNYIU-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C(Nc1ccnc2[nH]cnc21)c1ccccc1 ZINC000089202978 182386327 /nfs/dbraw/zinc/38/63/27/182386327.db2.gz XGQOZVVOVVHEQU-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN CCOC(=O)C[C@@H](N)c1cc2ccccc2o1 ZINC000002511895 170230991 /nfs/dbraw/zinc/23/09/91/170230991.db2.gz MDOPFIZPNRWOFO-SNVBAGLBSA-N 0 0 233.267 2.386 10 0 BEAERN O=C(c1cc[nH]c(=O)c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000366191541 182688110 /nfs/dbraw/zinc/68/81/10/182688110.db2.gz KVZDWOBHVXZSHI-NWDGAFQWSA-N 0 0 246.310 2.192 10 0 BEAERN O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CCCCC[C@H]21 ZINC000366191544 182688848 /nfs/dbraw/zinc/68/88/48/182688848.db2.gz KVZDWOBHVXZSHI-VXGBXAGGSA-N 0 0 246.310 2.192 10 0 BEAERN O=C1CCOC[C@H]1CCc1ccccc1 ZINC000076639132 182744437 /nfs/dbraw/zinc/74/44/37/182744437.db2.gz FYDAXNQUPPCDNG-GFCCVEGCSA-N 0 0 204.269 2.225 10 0 BEAERN O=C1CC[C@@H]2CC(=O)C[C@H](c3ccccc3)N12 ZINC000090650801 182785654 /nfs/dbraw/zinc/78/56/54/182785654.db2.gz FYIMIZHSHAVMFN-DGCLKSJQSA-N 0 0 229.279 2.082 10 0 BEAERN CCCCOC[C@@H](O)CN(C)c1ccccc1 ZINC000193246113 168905647 /nfs/dbraw/zinc/90/56/47/168905647.db2.gz GTYRDWCYQXJZSU-AWEZNQCLSA-N 0 0 237.343 2.300 10 0 BEAERN O=C1Nc2ccc(F)c(F)c2N[C@H]2CCC[C@@H]12 ZINC000082329729 182823586 /nfs/dbraw/zinc/82/35/86/182823586.db2.gz MHCSKGAYUMJGOG-SVRRBLITSA-N 0 0 238.237 2.498 10 0 BEAERN O=Cc1ccnn1-c1ccccc1Cl ZINC000072190450 182873619 /nfs/dbraw/zinc/87/36/19/182873619.db2.gz GISZFGJMOIGLBN-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN O=Cc1nccn1-c1ccc(Cl)cc1 ZINC000082378417 182876574 /nfs/dbraw/zinc/87/65/74/182876574.db2.gz YQLFEBQQJAATEG-UHFFFAOYSA-N 0 0 206.632 2.338 10 0 BEAERN CCCCOc1cnc(C(=O)OCC)o1 ZINC000115891590 168921232 /nfs/dbraw/zinc/92/12/32/168921232.db2.gz BPRXGINZABSLSZ-UHFFFAOYSA-N 0 0 213.233 2.030 10 0 BEAERN O=[S@@]1C=C(c2ccc(Cl)cc2)OC1 ZINC000004633532 182968234 /nfs/dbraw/zinc/96/82/34/182968234.db2.gz UPTMCCUHJKGQGB-ZDUSSCGKSA-N 0 0 214.673 2.375 10 0 BEAERN O=c1ccc2[nH]ccc2n1-c1ccsc1 ZINC000165006900 183001480 /nfs/dbraw/zinc/00/14/80/183001480.db2.gz PDUARZMSTLPXKG-UHFFFAOYSA-N 0 0 216.265 2.380 10 0 BEAERN O=c1ccccn1CCCNc1ccccc1 ZINC000053500494 183001907 /nfs/dbraw/zinc/00/19/07/183001907.db2.gz SPGUMLWXPWNHFF-UHFFFAOYSA-N 0 0 228.295 2.351 10 0 BEAERN CCCC[C@@H](CC)C(=O)N1CC[C@@H](CCO)C1 ZINC000123005926 168953001 /nfs/dbraw/zinc/95/30/01/168953001.db2.gz QEXDUZVQEOSTAL-QWHCGFSZSA-N 0 0 241.375 2.434 10 0 BEAERN O=c1ncccn1CCNc1cccc(Cl)c1 ZINC000053500163 183011646 /nfs/dbraw/zinc/01/16/46/183011646.db2.gz OWGXUGFJELMSQA-UHFFFAOYSA-N 0 0 249.701 2.009 10 0 BEAERN O=c1oc(-c2ccccc2)nc2cnccc21 ZINC000032224508 183012076 /nfs/dbraw/zinc/01/20/76/183012076.db2.gz AFHGAGYEDZUUQL-UHFFFAOYSA-N 0 0 224.219 2.250 10 0 BEAERN O=c1onc(-c2ccccc2)c2cccnc12 ZINC000038953094 183012667 /nfs/dbraw/zinc/01/26/67/183012667.db2.gz UGLKPOQCOYDPRG-UHFFFAOYSA-N 0 0 224.219 2.250 10 0 BEAERN O=C1N[C@H](c2ccccc2)C12CCOCC2 ZINC000328579401 183026647 /nfs/dbraw/zinc/02/66/47/183026647.db2.gz FVUCKBQAEVMFDL-LLVKDONJSA-N 0 0 217.268 2.495 10 0 BEAERN O[C@H]1c2ccccc2CC12CCC(O)CC2 ZINC000001563093 183028664 /nfs/dbraw/zinc/02/86/64/183028664.db2.gz QBGBOWNMLLAMLX-QRMWWUJWSA-N 0 0 218.296 2.197 10 0 BEAERN OC1(CCCCn2cccc2)CCOCC1 ZINC000095704573 183014835 /nfs/dbraw/zinc/01/48/35/183014835.db2.gz AYAWZMDDMAOZPX-UHFFFAOYSA-N 0 0 223.316 2.200 10 0 BEAERN OC12CC3C4CC5CC3C(C1)C(C5)C4C2 ZINC000000976697 183024226 /nfs/dbraw/zinc/02/42/26/183024226.db2.gz HLMNGNITCLNFFJ-UHFFFAOYSA-N 0 0 204.313 2.440 10 0 BEAERN CCCC[C@H](C)C(=O)NC[C@H]1CCC[C@H]1O ZINC000300928938 168982932 /nfs/dbraw/zinc/98/29/32/168982932.db2.gz METQKDWBCIKJLC-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN OCCCNc1cccc(C(F)(F)F)c1 ZINC000041571255 183059862 /nfs/dbraw/zinc/05/98/62/183059862.db2.gz SCTIMWVJPKRORL-UHFFFAOYSA-N 0 0 219.206 2.500 10 0 BEAERN OCCCNc1nc2cc(Cl)ccc2[nH]1 ZINC000015772888 183060137 /nfs/dbraw/zinc/06/01/37/183060137.db2.gz YCOIDNFXOZHQHG-UHFFFAOYSA-N 0 0 225.679 2.011 10 0 BEAERN OCCC[C@H](O)c1ccc(Cl)cc1 ZINC000049812208 183063007 /nfs/dbraw/zinc/06/30/07/183063007.db2.gz KZOPJGMADVWMKC-JTQLQIEISA-N 0 0 200.665 2.146 10 0 BEAERN OCCNc1ccc(OCc2ccccc2)cn1 ZINC000034147275 183080774 /nfs/dbraw/zinc/08/07/74/183080774.db2.gz HMHYSAGTQTVFRZ-UHFFFAOYSA-N 0 0 244.294 2.065 10 0 BEAERN OCCNc1ccccc1SC(F)F ZINC000020044190 183081220 /nfs/dbraw/zinc/08/12/20/183081220.db2.gz SYPRJAKIFJYBRQ-UHFFFAOYSA-N 0 0 219.256 2.406 10 0 BEAERN OCCOc1ccnc2cc(Cl)ccc21 ZINC000053994793 183088477 /nfs/dbraw/zinc/08/84/77/183088477.db2.gz PWWZYMANOISBAQ-UHFFFAOYSA-N 0 0 223.659 2.259 10 0 BEAERN OC[C@@H]1CCCCN1c1nc2ccccc2o1 ZINC000040444174 183115907 /nfs/dbraw/zinc/11/59/07/183115907.db2.gz BAGRIGGSXQDFJA-JTQLQIEISA-N 0 0 232.283 2.179 10 0 BEAERN OC[C@@H]1CCCN1c1ncc(Cl)cc1Cl ZINC000042434692 183121297 /nfs/dbraw/zinc/12/12/97/183121297.db2.gz AWKBGAYTZZQBEU-QMMMGPOBSA-N 0 0 247.125 2.350 10 0 BEAERN OCCc1csc(Cc2ccc(F)cc2)n1 ZINC000049828606 183101696 /nfs/dbraw/zinc/10/16/96/183101696.db2.gz ACRBERKEIZVYTH-UHFFFAOYSA-N 0 0 237.299 2.408 10 0 BEAERN CCCC[C@H](O)c1ccc2c(c1)CC(=O)N2C ZINC000040256835 169013023 /nfs/dbraw/zinc/01/30/23/169013023.db2.gz PKKUQHZOLYQYGE-ZDUSSCGKSA-N 0 0 233.311 2.429 10 0 BEAERN OC[C@@H](Nc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000038113822 183109703 /nfs/dbraw/zinc/10/97/03/183109703.db2.gz UYODQZJUKCPYQP-BXKDBHETSA-N 0 0 241.718 2.149 10 0 BEAERN OC[C@H](O)CSCc1ccc2ccccc2c1 ZINC000177411546 183143780 /nfs/dbraw/zinc/14/37/80/183143780.db2.gz JXCWJWUTFGLLKW-AWEZNQCLSA-N 0 0 248.347 2.426 10 0 BEAERN OC[C@@]1(Nc2ccc(F)cc2)CCSC1 ZINC000038113966 183134099 /nfs/dbraw/zinc/13/40/99/183134099.db2.gz SIWAEXJQHIYJTA-NSHDSACASA-N 0 0 227.304 2.106 10 0 BEAERN OC[C@@]1(Nc2cccc(F)c2)CCSC1 ZINC000038119040 183134859 /nfs/dbraw/zinc/13/48/59/183134859.db2.gz TWWPOBOIUIFHRN-NSHDSACASA-N 0 0 227.304 2.106 10 0 BEAERN OC[C@H](Nc1nc2ccccc2[nH]1)c1ccco1 ZINC000301887547 183142597 /nfs/dbraw/zinc/14/25/97/183142597.db2.gz PMZGGHYPYMOFBO-NSHDSACASA-N 0 0 243.266 2.301 10 0 BEAERN CCCC[S@@](=O)c1nc2ccc(N)cc2o1 ZINC000042195515 169016808 /nfs/dbraw/zinc/01/68/08/169016808.db2.gz KKXXWWUXHKLVBN-INIZCTEOSA-N 0 0 238.312 2.318 10 0 BEAERN OC[C@@H]1C[C@H]1Nc1ncc(Cl)cc1Cl ZINC000307365465 183131245 /nfs/dbraw/zinc/13/12/45/183131245.db2.gz JRUZUXOROZHLQK-YLWLKBPMSA-N 0 0 233.098 2.181 10 0 BEAERN OC[C@H]1CCCCN(c2nc3ccccc3o2)C1 ZINC000371065542 183146327 /nfs/dbraw/zinc/14/63/27/183146327.db2.gz RXGWBJSPOZFXHQ-NSHDSACASA-N 0 0 246.310 2.427 10 0 BEAERN OC[C@H]1CCCCC[C@@H]1Nc1ccccn1 ZINC000301794382 183146380 /nfs/dbraw/zinc/14/63/80/183146380.db2.gz SOACWKKFDJCGNJ-NEPJUHHUSA-N 0 0 220.316 2.435 10 0 BEAERN CCCCc1noc([C@H]2CCC[C@H](O)C2)n1 ZINC000303798196 169032091 /nfs/dbraw/zinc/03/20/91/169032091.db2.gz SKGHOGKXPSQSCT-UWVGGRQHSA-N 0 0 224.304 2.431 10 0 BEAERN OC[C@H]1C=Cc2cccc(Br)c2O1 ZINC000088247342 183146894 /nfs/dbraw/zinc/14/68/94/183146894.db2.gz IVYNRKBLFZUVTM-MRVPVSSYSA-N 0 0 241.084 2.216 10 0 BEAERN OC[C@]1(Nc2cccc(F)c2)CCCSC1 ZINC000061590886 183159625 /nfs/dbraw/zinc/15/96/25/183159625.db2.gz NGWYPLOOYKYOSY-GFCCVEGCSA-N 0 0 241.331 2.496 10 0 BEAERN OCc1c(Cl)nc2cc(Cl)ccn21 ZINC000082694879 183160216 /nfs/dbraw/zinc/16/02/16/183160216.db2.gz NVARCIHSLXEGTE-UHFFFAOYSA-N 0 0 217.055 2.133 10 0 BEAERN OCc1c[nH]c(=S)n1CCc1ccccc1 ZINC000019724517 183160544 /nfs/dbraw/zinc/16/05/44/183160544.db2.gz MVGDQHAJWDHHLG-UHFFFAOYSA-N 0 0 234.324 2.281 10 0 BEAERN OCc1c[nH]c([C@H]2CCCc3ccccc32)n1 ZINC000063158685 183160638 /nfs/dbraw/zinc/16/06/38/183160638.db2.gz OFUVKNWBYRDLDR-ZDUSSCGKSA-N 0 0 228.295 2.370 10 0 BEAERN O[C@@H](CN1CCc2ccc(F)cc21)C(F)(F)F ZINC000121561888 183177547 /nfs/dbraw/zinc/17/75/47/183177547.db2.gz YKKDCUUIYHHKPT-JTQLQIEISA-N 0 0 249.207 2.111 10 0 BEAERN O[C@@H](CNc1ccnc(C2CC2)n1)C1CCCC1 ZINC000301262899 183181676 /nfs/dbraw/zinc/18/16/76/183181676.db2.gz DLTYWNQBRGIUIU-LBPRGKRZSA-N 0 0 247.342 2.317 10 0 BEAERN OCc1cccc(Oc2cccnc2)c1 ZINC000204285979 183168181 /nfs/dbraw/zinc/16/81/81/183168181.db2.gz WYKJOBJRNPOASC-UHFFFAOYSA-N 0 0 201.225 2.366 10 0 BEAERN OCc1cccc(OCc2ccccc2)n1 ZINC000051043054 183168205 /nfs/dbraw/zinc/16/82/05/183168205.db2.gz NNMPMMOHBDQBKY-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN CCCN(C)C(=O)NCc1csc(CC)n1 ZINC000107756028 169055222 /nfs/dbraw/zinc/05/52/22/169055222.db2.gz MCVJIYXIZIUOBP-UHFFFAOYSA-N 0 0 241.360 2.257 10 0 BEAERN OCc1ncc(-c2ccc(F)cc2)s1 ZINC000083250373 183170586 /nfs/dbraw/zinc/17/05/86/183170586.db2.gz ZNWUENXULHWKMF-UHFFFAOYSA-N 0 0 209.245 2.442 10 0 BEAERN OCn1nc(-c2ccccc2Cl)oc1=S ZINC000000284555 183171536 /nfs/dbraw/zinc/17/15/36/183171536.db2.gz FLYUOIFQJZZPEM-UHFFFAOYSA-N 0 0 242.687 2.476 10 0 BEAERN CCCN(C)C(=O)Nc1cccc(N)c1 ZINC000037098764 169056301 /nfs/dbraw/zinc/05/63/01/169056301.db2.gz DRAKNDNGXFKEQV-UHFFFAOYSA-N 0 0 207.277 2.143 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1cc(F)c(F)c(F)c1 ZINC000061096200 183196552 /nfs/dbraw/zinc/19/65/52/183196552.db2.gz CAPDLMKPRMTGKM-NXEZZACHSA-N 0 0 231.217 2.429 10 0 BEAERN CCCN(C)CC(=O)c1ccc2c(c1)CCO2 ZINC000037661069 169075309 /nfs/dbraw/zinc/07/53/09/169075309.db2.gz LGHGMUWENDPVEP-UHFFFAOYSA-N 0 0 233.311 2.146 10 0 BEAERN O[C@@H]1CCc2c1cccc2OCc1ncccn1 ZINC000062800845 183206078 /nfs/dbraw/zinc/20/60/78/183206078.db2.gz TUCQQNNHWYNYEL-GFCCVEGCSA-N 0 0 242.278 2.035 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1cnc2c(n1)CCCC2 ZINC000311188770 183189827 /nfs/dbraw/zinc/18/98/27/183189827.db2.gz CSZULZMKOOVJBU-QWHCGFSZSA-N 0 0 247.342 2.071 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ccncc1Cl ZINC000086831356 183194908 /nfs/dbraw/zinc/19/49/08/183194908.db2.gz CBNIWJWTEPHWGK-LDYMZIIASA-N 0 0 226.707 2.308 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ccc(Cl)cn1 ZINC000084233093 183195606 /nfs/dbraw/zinc/19/56/06/183195606.db2.gz DOYWCNKUUHQJEJ-PSASIEDQSA-N 0 0 226.707 2.308 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ncccc1Cl ZINC000277017476 183195638 /nfs/dbraw/zinc/19/56/38/183195638.db2.gz BZJKZGITXRMYKL-DTWKUNHWSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@@]1(c2nc3ccccc3[nH]2)C=CCCC1 ZINC000005286512 183217462 /nfs/dbraw/zinc/21/74/62/183217462.db2.gz GLGQTAOJVXMSEL-ZDUSSCGKSA-N 0 0 214.268 2.491 10 0 BEAERN CCC[N@H+](C)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000051287571 169079595 /nfs/dbraw/zinc/07/95/95/169079595.db2.gz DSUYMWKUDWBOQK-AWEZNQCLSA-N 0 0 235.327 2.371 10 0 BEAERN O[C@H](COC(F)(F)F)c1cccc(F)c1 ZINC000068576512 183226667 /nfs/dbraw/zinc/22/66/67/183226667.db2.gz KSCDHBCCWZPEGD-MRVPVSSYSA-N 0 0 224.153 2.396 10 0 BEAERN O[C@H](CNc1ccnc(C2CC2)n1)C1CCCC1 ZINC000301262896 183226690 /nfs/dbraw/zinc/22/66/90/183226690.db2.gz DLTYWNQBRGIUIU-GFCCVEGCSA-N 0 0 247.342 2.317 10 0 BEAERN O[C@H](Cc1nc(C2CCCCC2)no1)C(F)F ZINC000104070006 183228176 /nfs/dbraw/zinc/22/81/76/183228176.db2.gz SIGBYQJYUONZBN-MRVPVSSYSA-N 0 0 246.257 2.286 10 0 BEAERN O[C@H](Cc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000104060161 183228781 /nfs/dbraw/zinc/22/87/81/183228781.db2.gz FAHXSKDQPHRHGB-LLVKDONJSA-N 0 0 248.257 2.189 10 0 BEAERN CCCN(CC(=O)OC)c1ccc(Cl)cn1 ZINC000050086470 169101732 /nfs/dbraw/zinc/10/17/32/169101732.db2.gz JZICDJAWOGORKI-UHFFFAOYSA-N 0 0 242.706 2.124 10 0 BEAERN CCCN(CC(=O)OCC)c1cccc(N)c1 ZINC000063112915 169101793 /nfs/dbraw/zinc/10/17/93/169101793.db2.gz WJYPPNVCXNXPKC-UHFFFAOYSA-N 0 0 236.315 2.048 10 0 BEAERN O[C@@H]1COC[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000037877622 183211941 /nfs/dbraw/zinc/21/19/41/183211941.db2.gz FYGCLTJCLXZLBH-NXEZZACHSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1C=Cc2c3ccccc3ccc2[C@@H]1O ZINC000006118260 183230893 /nfs/dbraw/zinc/23/08/93/183230893.db2.gz FZOALBNXOKAOEW-KBPBESRZSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN O[C@H]1CCC[C@H]1CNc1nc2ccccc2o1 ZINC000089166519 183237920 /nfs/dbraw/zinc/23/79/20/183237920.db2.gz ZQWZQOMGWPMAEX-ONGXEEELSA-N 0 0 232.283 2.401 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1nc2ccccc2[nH]1 ZINC000089167223 183238005 /nfs/dbraw/zinc/23/80/05/183238005.db2.gz GQPJHVCEGLNNKG-CABZTGNLSA-N 0 0 231.299 2.136 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1c(F)cccc1F ZINC000037690037 183238275 /nfs/dbraw/zinc/23/82/75/183238275.db2.gz NVEPABFYZQEWBQ-ZJUUUORDSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1 ZINC000037689946 183238483 /nfs/dbraw/zinc/23/84/83/183238483.db2.gz GHHMEAYJZGADKE-MNOVXSKESA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCc2c1cccc2OCC1CC1 ZINC000062800766 183242374 /nfs/dbraw/zinc/24/23/74/183242374.db2.gz XHTOWGIAEQBHBP-LBPRGKRZSA-N 0 0 204.269 2.455 10 0 BEAERN O[C@H]1CC[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000070771837 183242771 /nfs/dbraw/zinc/24/27/71/183242771.db2.gz VYIVVAWETQPIRG-ONGXEEELSA-N 0 0 220.268 2.086 10 0 BEAERN O[C@H]1COC[C@H]1Nc1ccc2ccccc2c1 ZINC000037889309 183246392 /nfs/dbraw/zinc/24/63/92/183246392.db2.gz OBVSJRYOLYVTKX-KGLIPLIRSA-N 0 0 229.279 2.011 10 0 BEAERN CCCN(CC)C(=O)c1cccc(N)c1C ZINC000037094289 169119127 /nfs/dbraw/zinc/11/91/27/169119127.db2.gz DICPEFWWUOMDRJ-UHFFFAOYSA-N 0 0 220.316 2.449 10 0 BEAERN O[C@H]1COC[C@@H]1Nc1ccc2ccccc2c1 ZINC000037889310 183246631 /nfs/dbraw/zinc/24/66/31/183246631.db2.gz OBVSJRYOLYVTKX-KBPBESRZSA-N 0 0 229.279 2.011 10 0 BEAERN O[C@H]1COC[C@@H]1Nc1ccc(Cl)cc1Cl ZINC000037875550 183247010 /nfs/dbraw/zinc/24/70/10/183247010.db2.gz UJOXEFGZDRAWRG-UWVGGRQHSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000021994619 183249048 /nfs/dbraw/zinc/24/90/48/183249048.db2.gz NXZFGPQSDCEZFS-STQMWFEESA-N 0 0 214.268 2.104 10 0 BEAERN O[C@H]1C[C@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415208 183249530 /nfs/dbraw/zinc/24/95/30/183249530.db2.gz PSFGHRIZPRPWSD-XCBNKYQSSA-N 0 0 220.297 2.235 10 0 BEAERN O[C@H]1CCCC[C@@H]1Nc1cnc2c(n1)CCCC2 ZINC000311188773 183232579 /nfs/dbraw/zinc/23/25/79/183232579.db2.gz CSZULZMKOOVJBU-STQMWFEESA-N 0 0 247.342 2.071 10 0 BEAERN O[C@@H]1CCCc2c1ccn2[C@H]1CCCC[C@@H]1O ZINC000052009111 183232634 /nfs/dbraw/zinc/23/26/34/183232634.db2.gz BJWOTEYXWKVAOM-MJBXVCDLSA-N 0 0 235.327 2.334 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1cccc(Cl)n1 ZINC000082461536 183234373 /nfs/dbraw/zinc/23/43/73/183234373.db2.gz PBRXEBPRLUNUDS-BDAKNGLRSA-N 0 0 226.707 2.450 10 0 BEAERN O[C@H]1CCCN(Cc2cc[nH]n2)c2ccccc21 ZINC000376998327 183235548 /nfs/dbraw/zinc/23/55/48/183235548.db2.gz TWVQUQZSENRQQO-AWEZNQCLSA-N 0 0 243.310 2.244 10 0 BEAERN CCCN(CC(F)(F)F)c1cc(CO)ccn1 ZINC000042779269 169107521 /nfs/dbraw/zinc/10/75/21/169107521.db2.gz KPSJSVIQUJFFQU-UHFFFAOYSA-N 0 0 248.248 2.353 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1cccc(Cl)n1 ZINC000193451645 183237619 /nfs/dbraw/zinc/23/76/19/183237619.db2.gz TVUZNNRGRGNXAF-SFYZADRCSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@H]1CCC[C@H]1CNc1ncc(Cl)cc1F ZINC000086710946 183237732 /nfs/dbraw/zinc/23/77/32/183237732.db2.gz PTGJJYXNXYQBJO-XVKPBYJWSA-N 0 0 244.697 2.447 10 0 BEAERN O=c1ccc2c(-c3ccc(O)cc3O)[nH][nH]c-2c1 ZINC000013586321 183264766 /nfs/dbraw/zinc/26/47/66/183264766.db2.gz WLDZDEMGKFWJNR-UHFFFAOYSA-N 0 0 242.234 2.347 10 0 in-vivo BEAERN Oc1ccc(-c2nc(-c3ccco3)n[nH]2)cc1 ZINC000040174265 183264892 /nfs/dbraw/zinc/26/48/92/183264892.db2.gz KVCJAYDKILMBNF-UHFFFAOYSA-N 0 0 227.223 2.437 10 0 BEAERN Oc1ccc(Br)cc1-c1ncon1 ZINC000096102554 183267387 /nfs/dbraw/zinc/26/73/87/183267387.db2.gz WMRULONDTYVHRU-UHFFFAOYSA-N 0 0 241.044 2.205 10 0 BEAERN Oc1ccc2c(c1)OC[C@H]2NCc1ccco1 ZINC000022217161 183281599 /nfs/dbraw/zinc/28/15/99/183281599.db2.gz POZNZTWBQQVUIS-GFCCVEGCSA-N 0 0 231.251 2.209 10 0 BEAERN O=c1cc2ccc(Br)cc2n[nH]1 ZINC000095930097 183262345 /nfs/dbraw/zinc/26/23/45/183262345.db2.gz KAENGVXYKKISRM-UHFFFAOYSA-N 0 0 225.045 2.098 10 0 BEAERN CCC[N@H+](C[C@@H](C)C(=O)[O-])[C@@H](C)CC ZINC000058847460 169171967 /nfs/dbraw/zinc/17/19/67/169171967.db2.gz BQCDUACMQHUCGQ-ZJUUUORDSA-N 0 0 201.310 2.218 10 0 BEAERN Oc1ccc2c(c1Br)CCO2 ZINC000084306230 183283451 /nfs/dbraw/zinc/28/34/51/183283451.db2.gz ZNDIZVZVURQQSN-UHFFFAOYSA-N 0 0 215.046 2.090 10 0 BEAERN CCCN(Cc1cccc(N)c1)C(=O)CC ZINC000035364885 169174433 /nfs/dbraw/zinc/17/44/33/169174433.db2.gz ZGFJFLWOSVQEGT-UHFFFAOYSA-N 0 0 220.316 2.417 10 0 BEAERN CCCN(Cc1cccc(N)c1)C(=O)NCC ZINC000035364959 169175896 /nfs/dbraw/zinc/17/58/96/169175896.db2.gz QQPYPFGCFVDIEZ-UHFFFAOYSA-N 0 0 235.331 2.210 10 0 BEAERN CCC[NH+](CCC)[C@H](C(=O)[O-])C(C)C ZINC000011955797 169153019 /nfs/dbraw/zinc/15/30/19/169153019.db2.gz BACJPLUYDYHAEG-JTQLQIEISA-N 0 0 201.310 2.218 10 0 BEAERN Oc1cccc(NCC2CCOCC2)c1 ZINC000052175844 183292330 /nfs/dbraw/zinc/29/23/30/183292330.db2.gz XLPJJMOMIQDLEG-UHFFFAOYSA-N 0 0 207.273 2.231 10 0 BEAERN Oc1ccccc1-c1nc2cc[nH]cc-2n1 ZINC000005117309 183299988 /nfs/dbraw/zinc/29/99/88/183299988.db2.gz FIKHVURBSANKOA-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN CCCN(CCc1ccccn1)C(=O)CC ZINC000122633392 169169761 /nfs/dbraw/zinc/16/97/61/169169761.db2.gz JGIXFMANPDCCPO-UHFFFAOYSA-N 0 0 220.316 2.273 10 0 BEAERN Oc1cncc(-c2cc(O)cc(F)c2)c1 ZINC000065337834 183305031 /nfs/dbraw/zinc/30/50/31/183305031.db2.gz XJVNIRFXLXSNRU-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN S=c1[nH]ncn1NCC1CCCCC1 ZINC000026482207 183314499 /nfs/dbraw/zinc/31/44/99/183314499.db2.gz NWBGPHOEGJDIEJ-UHFFFAOYSA-N 0 0 212.322 2.064 10 0 BEAERN CCCN(c1ccc(N)c(C(=O)OC)c1)C1CC1 ZINC000048670921 169182703 /nfs/dbraw/zinc/18/27/03/169182703.db2.gz HWXQFNJFJIHRQU-UHFFFAOYSA-N 0 0 248.326 2.434 10 0 BEAERN CCC[N@@H+](c1ccc(N)c(C(=O)[O-])c1)C1CC1 ZINC000058014048 169182827 /nfs/dbraw/zinc/18/28/27/169182827.db2.gz YFXROUXLADETTL-UHFFFAOYSA-N 0 0 234.299 2.346 10 0 BEAERN S=C1N=NCN1Cc1ccc(Cl)s1 ZINC000070600710 183316523 /nfs/dbraw/zinc/31/65/23/183316523.db2.gz HCQDRPPZLGHOQD-UHFFFAOYSA-N 0 0 231.733 2.330 10 0 BEAERN [O-][n+]1cc(C(F)(F)F)ccc1Br ZINC000076981562 183318675 /nfs/dbraw/zinc/31/86/75/183318675.db2.gz LFQDPJNHUHLMTM-UHFFFAOYSA-N 0 0 241.994 2.101 10 0 BEAERN c1c[nH]c(CN2CCO[C@H](c3ccsc3)C2)n1 ZINC000126196218 183324374 /nfs/dbraw/zinc/32/43/74/183324374.db2.gz AZUSQNRPYOKSPN-NSHDSACASA-N 0 0 249.339 2.045 10 0 BEAERN c1c(-c2ccncc2)nc2n1CCS2 ZINC000012943773 183329301 /nfs/dbraw/zinc/32/93/01/183329301.db2.gz PGKBPNVZTCMLPE-UHFFFAOYSA-N 0 0 203.270 2.051 10 0 BEAERN O=c1[nH]c(C(F)(F)F)nc2ccc(F)cc21 ZINC000095828710 183308404 /nfs/dbraw/zinc/30/84/04/183308404.db2.gz OZBGQDVGLQXACN-UHFFFAOYSA-N 0 0 232.136 2.493 10 0 BEAERN c1cc(CN2CCCC[C@H]2c2cn[nH]c2)no1 ZINC000158162793 183341342 /nfs/dbraw/zinc/34/13/42/183341342.db2.gz JLTKCROAIFOEIJ-LBPRGKRZSA-N 0 0 232.287 2.125 10 0 BEAERN CCC[N@@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592203 169210486 /nfs/dbraw/zinc/21/04/86/169210486.db2.gz YGPLUMOKNPDQIP-SNVBAGLBSA-N 0 0 225.313 2.142 10 0 BEAERN c1cnn(CCOc2cccc3c2NCCC3)c1 ZINC000049314845 183365774 /nfs/dbraw/zinc/36/57/74/183365774.db2.gz HOGCHBGHWNORHJ-UHFFFAOYSA-N 0 0 243.310 2.320 10 0 BEAERN CCCNC(=O)N(C)[C@H](C)c1cccc(N)c1 ZINC000036743759 169234849 /nfs/dbraw/zinc/23/48/49/169234849.db2.gz BDBPOKAXPZJNRR-SNVBAGLBSA-N 0 0 235.331 2.381 10 0 BEAERN CCCNC(=O)N[C@@H](C)c1ccc(N)cc1 ZINC000037178814 169238321 /nfs/dbraw/zinc/23/83/21/169238321.db2.gz HUFBUKDPIHBGRE-VIFPVBQESA-N 0 0 221.304 2.039 10 0 BEAERN CCCNC(=O)[C@@H](C)Nc1cc(F)cc(F)c1 ZINC000020362091 169242089 /nfs/dbraw/zinc/24/20/89/169242089.db2.gz ATEDLZADHJAYAY-MRVPVSSYSA-N 0 0 242.269 2.291 10 0 BEAERN c1c(-c2ccccc2)noc1N1CCOCC1 ZINC000169344200 183380070 /nfs/dbraw/zinc/38/00/70/183380070.db2.gz RDNOMVDJBBGOCM-UHFFFAOYSA-N 0 0 230.267 2.178 10 0 BEAERN CCCNC(=O)[C@H](C)Nc1ccccc1 ZINC000020312341 169247543 /nfs/dbraw/zinc/24/75/43/169247543.db2.gz HNSAKKPQZCPNBW-JTQLQIEISA-N 0 0 206.289 2.013 10 0 BEAERN CCCNC(=O)c1cc2c(cccc2F)n1C ZINC000040788327 169250971 /nfs/dbraw/zinc/25/09/71/169250971.db2.gz CPJQYVUXAQABMR-UHFFFAOYSA-N 0 0 234.274 2.457 10 0 BEAERN CCCN[C@H](CCc1ccccc1)C(=O)OC ZINC000061625437 169289414 /nfs/dbraw/zinc/28/94/14/169289414.db2.gz BGEDKKZLNBYXSQ-CYBMUJFWSA-N 0 0 235.327 2.160 10 0 BEAERN c1ccc(CN2CC3CCN2CC3)cc1 ZINC000098178398 183396520 /nfs/dbraw/zinc/39/65/20/183396520.db2.gz ITQYNWJCTRNJEK-UHFFFAOYSA-N 0 0 202.301 2.129 10 0 BEAERN CCCN[C@@H](c1cncc(F)c1)c1ncccn1 ZINC000049576453 169281214 /nfs/dbraw/zinc/28/12/14/169281214.db2.gz WZBWJRMTRWESSA-LBPRGKRZSA-N 0 0 246.289 2.100 10 0 BEAERN CCCOC(=O)c1cc(C)cc(F)c1N ZINC000037475451 169300443 /nfs/dbraw/zinc/30/04/43/169300443.db2.gz WSYMYYAQDGJBRK-UHFFFAOYSA-N 0 0 211.236 2.283 10 0 BEAERN CCCOCC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110442051 169305385 /nfs/dbraw/zinc/30/53/85/169305385.db2.gz YBRKJGLMJVBVBD-UONOGXRCSA-N 0 0 247.338 2.333 10 0 BEAERN CCCOCCCC(=O)Nc1cccc(N)c1 ZINC000037024707 169308826 /nfs/dbraw/zinc/30/88/26/169308826.db2.gz QVSOBTDUQQXJLQ-UHFFFAOYSA-N 0 0 236.315 2.414 10 0 BEAERN CCCOCCOC(=O)c1ccc(N)c(C)c1 ZINC000041580867 169309009 /nfs/dbraw/zinc/30/90/09/169309009.db2.gz NPQAGOFQTSMGFN-UHFFFAOYSA-N 0 0 237.299 2.161 10 0 BEAERN CCCOCc1nc(N)c2c(n1)CCCCC2 ZINC000104054740 169310999 /nfs/dbraw/zinc/31/09/99/169310999.db2.gz PXHNTXYQYKWFRM-UHFFFAOYSA-N 0 0 235.331 2.254 10 0 BEAERN CCCO[C@H](C)C(=O)Nc1cccc(N)c1C ZINC000037024581 169311700 /nfs/dbraw/zinc/31/17/00/169311700.db2.gz XKQDNQWVJBBRRX-SNVBAGLBSA-N 0 0 236.315 2.331 10 0 BEAERN CCCOc1cc(NCCOC)c(N)cc1F ZINC000104126578 169315777 /nfs/dbraw/zinc/31/57/77/169315777.db2.gz PELIWYHJRVCALH-UHFFFAOYSA-N 0 0 242.294 2.255 10 0 BEAERN CCCOc1cc(NCC)nc(CC)n1 ZINC000082482989 169315790 /nfs/dbraw/zinc/31/57/90/169315790.db2.gz FKPCUYLKDRTVAT-UHFFFAOYSA-N 0 0 209.293 2.260 10 0 BEAERN CCCNc1cc(C)nc2c(CC)cnn21 ZINC000026488726 169294071 /nfs/dbraw/zinc/29/40/71/169294071.db2.gz AXGBZHDCGFVQCY-UHFFFAOYSA-N 0 0 218.304 2.422 10 0 BEAERN CCCNc1ccc2c(c1)CCN2C(C)=O ZINC000036959303 169294652 /nfs/dbraw/zinc/29/46/52/169294652.db2.gz HYXRRIATRJEBTN-UHFFFAOYSA-N 0 0 218.300 2.418 10 0 BEAERN CCCNc1cccnc1-n1cccn1 ZINC000037122138 169295483 /nfs/dbraw/zinc/29/54/83/169295483.db2.gz OSZHDOJHYDPMHU-UHFFFAOYSA-N 0 0 202.261 2.089 10 0 BEAERN CCCNc1ccnc(C(=O)NC(C)(C)C)c1 ZINC000050724736 169295530 /nfs/dbraw/zinc/29/55/30/169295530.db2.gz VIEQHWMONHOOTI-UHFFFAOYSA-N 0 0 235.331 2.432 10 0 BEAERN CCCNc1ccnc(C(=O)N(CC)CC)c1 ZINC000035121314 169296008 /nfs/dbraw/zinc/29/60/08/169296008.db2.gz GMFDPLHKXNDNEK-UHFFFAOYSA-N 0 0 235.331 2.386 10 0 BEAERN CCCNc1nc2c(ccn2C)c(Cl)n1 ZINC000098179298 169296189 /nfs/dbraw/zinc/29/61/89/169296189.db2.gz ISDWCYCSRFJETO-UHFFFAOYSA-N 0 0 224.695 2.444 10 0 BEAERN CCCNc1ncccc1CN1CCO[C@H](C)C1 ZINC000052709896 169296914 /nfs/dbraw/zinc/29/69/14/169296914.db2.gz YAAIUPUSGUPOGF-GFCCVEGCSA-N 0 0 249.358 2.124 10 0 BEAERN CCCOC(=O)COc1ccc(C)cc1OC ZINC000103289763 169298082 /nfs/dbraw/zinc/29/80/82/169298082.db2.gz AABRFKSHOOOQFK-UHFFFAOYSA-N 0 0 238.283 2.336 10 0 BEAERN CCCSc1cccc2nc(N)nc(N)c21 ZINC000027517312 169341027 /nfs/dbraw/zinc/34/10/27/169341027.db2.gz AKKPIRFHUOZXFO-UHFFFAOYSA-N 0 0 234.328 2.296 10 0 BEAERN CCCSc1n[nH]c(-c2ccncc2)n1 ZINC000005560751 169341677 /nfs/dbraw/zinc/34/16/77/169341677.db2.gz OUJFPBPZUORSFP-UHFFFAOYSA-N 0 0 220.301 2.369 10 0 BEAERN CCCSc1ccc2c(c1)NC(=O)[C@@H]2N ZINC000102454747 169341679 /nfs/dbraw/zinc/34/16/79/169341679.db2.gz LDMVOHGTSWPMDW-SNVBAGLBSA-N 0 0 222.313 2.141 10 0 BEAERN CCCOc1ccc(C=O)c(OCCC)n1 ZINC000090449049 169317863 /nfs/dbraw/zinc/31/78/63/169317863.db2.gz LFBBQLCAAUNJJV-UHFFFAOYSA-N 0 0 223.272 2.472 10 0 BEAERN CCCOc1cncc(Br)n1 ZINC000044119870 169328051 /nfs/dbraw/zinc/32/80/51/169328051.db2.gz ZHKRIFKHOOREEX-UHFFFAOYSA-N 0 0 217.066 2.028 10 0 BEAERN CCCS(=O)(=O)C[C@@H]1CC1(Cl)Cl ZINC000000194026 169329682 /nfs/dbraw/zinc/32/96/82/169329682.db2.gz ILCNHEZRZPMGIP-LURJTMIESA-N 0 0 231.144 2.005 10 0 BEAERN CCCS(=O)(=O)Nc1ccc(N)cc1Cl ZINC000021953882 169334228 /nfs/dbraw/zinc/33/42/28/169334228.db2.gz NRYPKVRXHWPNMC-UHFFFAOYSA-N 0 0 248.735 2.074 10 0 BEAERN CCC[C@@H](C)N(C)c1cc2c(cc1N)CC(=O)N2 ZINC000036790104 169366174 /nfs/dbraw/zinc/36/61/74/169366174.db2.gz FEFDZSDYCCGZIA-SECBINFHSA-N 0 0 247.342 2.388 10 0 BEAERN CCC[C@@H](C)NC(=O)COc1ccc(O)cc1 ZINC000049289139 169367068 /nfs/dbraw/zinc/36/70/68/169367068.db2.gz YERFQFOCNFPVSH-SNVBAGLBSA-N 0 0 237.299 2.076 10 0 BEAERN CCC[C@@H](C)NC(=O)c1ccc(OC)c(N)c1 ZINC000019387196 169369189 /nfs/dbraw/zinc/36/91/89/169369189.db2.gz TXTBPOHENGBSQM-SECBINFHSA-N 0 0 236.315 2.196 10 0 BEAERN CCC[C@@H](C)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000051322532 169358081 /nfs/dbraw/zinc/35/80/81/169358081.db2.gz IHCHPDPFPPXLMY-MNOVXSKESA-N 0 0 213.321 2.219 10 0 BEAERN CCC[C@@H](C)Nc1ncnc(Cl)c1N ZINC000062362332 169372335 /nfs/dbraw/zinc/37/23/35/169372335.db2.gz HTWQZMBYLDSKMC-ZCFIWIBFSA-N 0 0 214.700 2.313 10 0 BEAERN COc1ccc([C@]2(O)CSC[C@H]2C)cc1 ZINC000389661901 259601362 /nfs/dbraw/zinc/60/13/62/259601362.db2.gz ITICSWNLDODAIJ-SKDRFNHKSA-N 0 0 224.325 2.266 10 0 BEAERN CC(C)(C)OC(=O)NCc1ccc(N)cc1F ZINC000095642502 166664120 /nfs/dbraw/zinc/66/41/20/166664120.db2.gz FKSOCOFHSAAXCX-UHFFFAOYSA-N 0 0 240.278 2.433 10 0 BEAERN CCCc1c(N)nc(-c2ccc(F)cc2)[nH]c1=O ZINC000104157691 169561108 /nfs/dbraw/zinc/56/11/08/169561108.db2.gz PROMTQRFVWBILQ-UHFFFAOYSA-N 0 0 247.273 2.111 10 0 BEAERN CCCc1c(N)c(=O)n(-c2cccc(C)c2)n1C ZINC000036947731 169561383 /nfs/dbraw/zinc/56/13/83/169561383.db2.gz IGLAYBMEQMCKCJ-UHFFFAOYSA-N 0 0 245.326 2.019 10 0 BEAERN CCCc1nc(-c2ccc(OC)c(N)c2)n[nH]1 ZINC000104209233 169582021 /nfs/dbraw/zinc/58/20/21/169582021.db2.gz AOOVFERBFXEPPI-UHFFFAOYSA-N 0 0 232.287 2.015 10 0 BEAERN CCCc1nnc(N[C@@H]2CCO[C@@H]2C)s1 ZINC000301901468 169599375 /nfs/dbraw/zinc/59/93/75/169599375.db2.gz NHVWBBFHVKIBNE-HTQZYQBOSA-N 0 0 227.333 2.080 10 0 BEAERN CCCc1noc(COc2ccccc2O)n1 ZINC000049339100 169603974 /nfs/dbraw/zinc/60/39/74/169603974.db2.gz OLRNAVGDQSDIOQ-UHFFFAOYSA-N 0 0 234.255 2.307 10 0 BEAERN CCNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000060249366 1172605946 /nfs/dbraw/zinc/60/59/46/1172605946.db2.gz OPTFLCGTSGYMFG-UHFFFAOYSA-N 0 0 232.205 2.037 10 0 BEAERN CCN(C(=O)[C@H](C)COC)c1nc(C)cs1 ZINC000153079813 169652037 /nfs/dbraw/zinc/65/20/37/169652037.db2.gz SBNZXHGJKMFOQN-MRVPVSSYSA-N 0 0 242.344 2.087 10 0 BEAERN CCN(C(=O)c1ccc(N)c(F)c1)C(C)C ZINC000054405389 169657663 /nfs/dbraw/zinc/65/76/63/169657663.db2.gz NFRAOMYKZYIIFP-UHFFFAOYSA-N 0 0 224.279 2.278 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000185404538 134378997 /nfs/dbraw/zinc/37/89/97/134378997.db2.gz JPHAUMUEEMHYTK-SRVKXCTJSA-N 0 0 227.348 2.304 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000185404556 134379289 /nfs/dbraw/zinc/37/92/89/134379289.db2.gz JPHAUMUEEMHYTK-QJPTWQEYSA-N 0 0 227.348 2.304 10 0 BEAERN CC(=O)Nc1cnn2c1c1ccccc1nc2C ZINC000000002017 383818070 /nfs/dbraw/zinc/81/80/70/383818070.db2.gz JTIDKHDQCMBOEG-UHFFFAOYSA-N 0 0 240.266 2.149 10 0 in-man BEAERN Cc1ccncc1N[C@H]1CCO[C@H](C)C1 ZINC000069891314 383851104 /nfs/dbraw/zinc/85/11/04/383851104.db2.gz HPJVWBYQYATATQ-MNOVXSKESA-N 0 0 206.289 2.369 10 0 BEAERN CCc1ccc(C#N)c([N+](=O)[O-])c1C(C)=O ZINC000575647947 383854268 /nfs/dbraw/zinc/85/42/68/383854268.db2.gz OYCPJKVQBJQZFW-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CC(=O)c1cc(F)cnc1Br ZINC000035569483 383860121 /nfs/dbraw/zinc/86/01/21/383860121.db2.gz IZNZGABMTQWKFJ-UHFFFAOYSA-N 0 0 218.025 2.186 10 0 BEAERN CC(=O)c1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000111599342 383869849 /nfs/dbraw/zinc/86/98/49/383869849.db2.gz SPJGROWIUYYIJX-PELKAZGASA-N 0 0 217.268 2.027 10 0 BEAERN CCOC(=O)c1cc(-c2cccs2)ncn1 ZINC000575622659 383876503 /nfs/dbraw/zinc/87/65/03/383876503.db2.gz OEBBRGYKCMIAFI-UHFFFAOYSA-N 0 0 234.280 2.382 10 0 BEAERN Cc1ccc(Cc2cc(N)nc(C)n2)cc1 ZINC000575622562 383877388 /nfs/dbraw/zinc/87/73/88/383877388.db2.gz WNUUMYXZDFTMPR-UHFFFAOYSA-N 0 0 213.284 2.097 10 0 BEAERN CCOC(=O)c1cc(CC(C)C)nc(C)n1 ZINC000575622534 383877624 /nfs/dbraw/zinc/87/76/24/383877624.db2.gz NIAVQMFMVWYFBG-UHFFFAOYSA-N 0 0 222.288 2.160 10 0 BEAERN Nc1nc(-c2cc3ccccc3cn2)ns1 ZINC000067173705 383915127 /nfs/dbraw/zinc/91/51/27/383915127.db2.gz ZOAKIZOLAZXDJC-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN Nc1nc(-c2cc(Cl)cc(Cl)n2)ns1 ZINC000067173755 383916210 /nfs/dbraw/zinc/91/62/10/383916210.db2.gz BYWQCMQESXEXBZ-UHFFFAOYSA-N 0 0 247.110 2.489 10 0 BEAERN C[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1cccc(O)c1 ZINC000112460143 383924969 /nfs/dbraw/zinc/92/49/69/383924969.db2.gz LGZJKACSOTWYLU-VDDIYKPWSA-N 0 0 234.299 2.161 10 0 BEAERN N#Cc1c(F)ccc(CO)c1C(F)(F)F ZINC000575645279 383883799 /nfs/dbraw/zinc/88/37/99/383883799.db2.gz FUNVNJLBVOYZGB-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN COc1c(C#N)cc(C=O)cc1C(F)(F)F ZINC000575648266 383889335 /nfs/dbraw/zinc/88/93/35/383889335.db2.gz LKZSZPFWGQMEEL-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN Cc1ccc(CN(C)C(=O)C(F)(F)F)o1 ZINC000112019773 383889855 /nfs/dbraw/zinc/88/98/55/383889855.db2.gz RNJPXJZRHKOZNU-UHFFFAOYSA-N 0 0 221.178 2.109 10 0 BEAERN COc1cc(C#N)cc(CO)c1C(F)(F)F ZINC000575648408 383892446 /nfs/dbraw/zinc/89/24/46/383892446.db2.gz MYELTXUWPOOHGT-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN O=C(C1CC=CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127732901 383904221 /nfs/dbraw/zinc/90/42/21/383904221.db2.gz OGOVPFZWDKSJAC-UKRRQHHQSA-N 0 0 249.354 2.106 10 0 BEAERN O=C1OCc2c1ccc([C@H]1CO1)c2Cl ZINC000113484226 383988423 /nfs/dbraw/zinc/98/84/23/383988423.db2.gz AMIATSMPJOHQIK-MRVPVSSYSA-N 0 0 210.616 2.082 10 0 BEAERN CCc1ccc([C@@H]2NC[C@@H](C)O[C@@H]2C)o1 ZINC000068576062 383998978 /nfs/dbraw/zinc/99/89/78/383998978.db2.gz ZKMFNBKTKXOQST-KBVBSXBZSA-N 0 0 209.289 2.280 10 0 BEAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)O ZINC000001850309 383937776 /nfs/dbraw/zinc/93/77/76/383937776.db2.gz UJNOLBSYLSYIBM-QCNOEVLYSA-N 0 0 228.332 2.371 10 0 BEAERN O=C(c1ccsc1)N1CCC[C@H]1CCCO ZINC000052758665 134385672 /nfs/dbraw/zinc/38/56/72/134385672.db2.gz QIKSYAQFQSHKEG-NSHDSACASA-N 0 0 239.340 2.125 10 0 BEAERN CC(=O)c1c(F)cccc1NCC1(C)COC1 ZINC000112695949 383940965 /nfs/dbraw/zinc/94/09/65/383940965.db2.gz MLAVUCQOUAQACX-UHFFFAOYSA-N 0 0 237.274 2.477 10 0 BEAERN COC(=O)c1n[nH]c2cccc(Cl)c21 ZINC000089196254 383941069 /nfs/dbraw/zinc/94/10/69/383941069.db2.gz ZTEHEVOAKFIDDI-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN Nc1cc(C(F)(F)F)cc2n[nH]cc21 ZINC000089196501 383941387 /nfs/dbraw/zinc/94/13/87/383941387.db2.gz IHQAYTCBMNCOKS-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN c1cc2cc(Nc3cnccn3)ncc2[nH]1 ZINC000089213138 383949636 /nfs/dbraw/zinc/94/96/36/383949636.db2.gz HPZKFDIHCTVHAZ-UHFFFAOYSA-N 0 0 211.228 2.097 10 0 BEAERN O=Cc1ccnc2nc(N3CCCCC3)sc21 ZINC000089229522 383952443 /nfs/dbraw/zinc/95/24/43/383952443.db2.gz NGZPOFZJQHLPNK-UHFFFAOYSA-N 0 0 247.323 2.494 10 0 BEAERN O=Cc1ccc2sc(N3CCCCC3)nc2n1 ZINC000089229524 383953068 /nfs/dbraw/zinc/95/30/68/383953068.db2.gz ZWPJPTPUIAIEEP-UHFFFAOYSA-N 0 0 247.323 2.494 10 0 BEAERN CCc1cc(C#N)cc([N+](=O)[O-])c1C(C)=O ZINC000575649240 383959915 /nfs/dbraw/zinc/95/99/15/383959915.db2.gz UQTLQLKODXFMGL-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCN(CCOC)c1ccc(N)c(C)c1 ZINC000002510094 383968539 /nfs/dbraw/zinc/96/85/39/383968539.db2.gz FFAJEKUNEVVYCW-UHFFFAOYSA-N 0 0 208.305 2.050 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2C)o1 ZINC000113148384 383971468 /nfs/dbraw/zinc/97/14/68/383971468.db2.gz BOKJXPOVCXQSST-JTQLQIEISA-N 0 0 247.298 2.121 10 0 BEAERN C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C(=O)[O-] ZINC000304203077 384019579 /nfs/dbraw/zinc/01/95/79/384019579.db2.gz YHCLYRUYRFDNLI-KXUCPTDWSA-N 0 0 247.285 2.074 10 0 BEAERN O=C(C1CCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113893856 384010579 /nfs/dbraw/zinc/01/05/79/384010579.db2.gz KKCSDDWCSBDMOR-GFCCVEGCSA-N 0 0 233.315 2.263 10 0 BEAERN O=C1C[C@H](c2ccc(F)cc2)SCCN1 ZINC000090397256 384045183 /nfs/dbraw/zinc/04/51/83/384045183.db2.gz UZATXPWWOUSBJL-SNVBAGLBSA-N 0 0 225.288 2.120 10 0 BEAERN COc1ncccc1C(=O)N1CCCC1(C)C ZINC000114686775 384050296 /nfs/dbraw/zinc/05/02/96/384050296.db2.gz WZXVTQABUHDUHF-UHFFFAOYSA-N 0 0 234.299 2.105 10 0 BEAERN Cc1cc(CN2CCCC[C@H]2c2cn[nH]c2)no1 ZINC000114484276 384037470 /nfs/dbraw/zinc/03/74/70/384037470.db2.gz SRIIRYPYQPPWPS-ZDUSSCGKSA-N 0 0 246.314 2.433 10 0 BEAERN c1nc2ncccc2n1Cc1ccccc1 ZINC000038435336 384083383 /nfs/dbraw/zinc/08/33/83/384083383.db2.gz AHFFRONGQSRICB-UHFFFAOYSA-N 0 0 209.252 2.480 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000644907329 384086397 /nfs/dbraw/zinc/08/63/97/384086397.db2.gz JZIKZOSJTKKJBB-WDEREUQCSA-N 0 0 241.375 2.478 10 0 BEAERN Cn1cc(C[C@H]2CCCCCC2=O)cn1 ZINC000050540501 384078339 /nfs/dbraw/zinc/07/83/39/384078339.db2.gz BKDLRGRRLWXPHU-LLVKDONJSA-N 0 0 206.289 2.112 10 0 BEAERN Cc1[nH]nc2c1[C@H](O)C[C@H](c1ccco1)C2 ZINC000072415239 384099260 /nfs/dbraw/zinc/09/92/60/384099260.db2.gz WZNMXAFMPVUZEK-PSASIEDQSA-N 0 0 218.256 2.075 10 0 BEAERN CC[C@@H]1C=CCCN1NC(=O)c1ccccc1 ZINC000039102974 384102849 /nfs/dbraw/zinc/10/28/49/384102849.db2.gz HSWWKXYJAGUVNE-CYBMUJFWSA-N 0 0 230.311 2.372 10 0 BEAERN c1ccc2c(c1)nccc2C1OCOCO1 ZINC000039120801 384106824 /nfs/dbraw/zinc/10/68/24/384106824.db2.gz LLKNIEKIUDNLPZ-UHFFFAOYSA-N 0 0 217.224 2.212 10 0 BEAERN Cc1ccc([C@@H]2Cc3c(cnn3C)[C@H](O)C2)cc1 ZINC000072415828 384109035 /nfs/dbraw/zinc/10/90/35/384109035.db2.gz CPEMVNAYUVWNTM-IUODEOHRSA-N 0 0 242.322 2.492 10 0 BEAERN Cc1cccc([C@H]2Cc3c(cnn3C)[C@@H](O)C2)c1 ZINC000072415819 384109292 /nfs/dbraw/zinc/10/92/92/384109292.db2.gz SAMSIFVMZDUBIR-WFASDCNBSA-N 0 0 242.322 2.492 10 0 BEAERN CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000005378580 384111699 /nfs/dbraw/zinc/11/16/99/384111699.db2.gz BYODACRNGFTGPM-UHFFFAOYSA-N 0 0 246.310 2.317 10 0 BEAERN FC(F)(F)CCc1nc(Cl)no1 ZINC000156589155 384112255 /nfs/dbraw/zinc/11/22/55/384112255.db2.gz OXJVJTCSPVCWSM-UHFFFAOYSA-N 0 0 200.547 2.218 10 0 BEAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC(F)C1 ZINC000336558537 384137576 /nfs/dbraw/zinc/13/75/76/384137576.db2.gz RELSMCZEBRKGIB-NEPJUHHUSA-N 0 0 225.307 2.383 10 0 BEAERN CCc1ccc(OC(F)F)c(F)c1CO ZINC000575653432 384127701 /nfs/dbraw/zinc/12/77/01/384127701.db2.gz HDPQOBRSRNTSRL-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1c(O)cc(OC(F)F)cc1CO ZINC000575653487 384131416 /nfs/dbraw/zinc/13/14/16/384131416.db2.gz JJFCSHIJXQDHAR-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN Cn1ccc(CNc2cc(F)c(F)cc2F)n1 ZINC000211649085 384149543 /nfs/dbraw/zinc/14/95/43/384149543.db2.gz ATIQQRUCUPPMPM-UHFFFAOYSA-N 0 0 241.216 2.450 10 0 BEAERN CCn1nc(C)cc1C(=O)NC1CCCCC1 ZINC000040770539 384163660 /nfs/dbraw/zinc/16/36/60/384163660.db2.gz BLACRDNPQFZQQW-UHFFFAOYSA-N 0 0 235.331 2.274 10 0 BEAERN CC[C@](C)(Oc1ccc(O)cc1)C(=O)OC ZINC000072232951 384202976 /nfs/dbraw/zinc/20/29/76/384202976.db2.gz PYYSJAFWJCIFQU-LBPRGKRZSA-N 0 0 224.256 2.113 10 0 BEAERN O=C(c1ccc(Cl)cn1)N1C[C@H]2CCC[C@H]21 ZINC000336590310 384188832 /nfs/dbraw/zinc/18/88/32/384188832.db2.gz JTNAFOZKBVMJHL-LDYMZIIASA-N 0 0 236.702 2.360 10 0 BEAERN N#CCc1cc(C(F)(F)F)cc(C=O)c1C#N ZINC000575646078 384193834 /nfs/dbraw/zinc/19/38/34/384193834.db2.gz IHJVBGPVJKEFLR-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN Cc1csc(CN(C)C[C@@H]2CCCO2)n1 ZINC000118407246 384198708 /nfs/dbraw/zinc/19/87/08/384198708.db2.gz MPDFQPZMXXBHPE-JTQLQIEISA-N 0 0 226.345 2.062 10 0 BEAERN O=c1cc(-c2ccsc2)[nH]c(=S)[nH]1 ZINC000072417217 384218153 /nfs/dbraw/zinc/21/81/53/384218153.db2.gz MCZFLUPNHJBCFW-UHFFFAOYSA-N 0 0 210.283 2.161 10 0 BEAERN CC[C@](C)(O)CN(Cc1ccccc1)OC ZINC000118944789 384218342 /nfs/dbraw/zinc/21/83/42/384218342.db2.gz WOTPAGVTNGOTHY-ZDUSSCGKSA-N 0 0 223.316 2.211 10 0 BEAERN CCCCCCNC(=O)CCc1ccnn1C ZINC000119062702 384229765 /nfs/dbraw/zinc/22/97/65/384229765.db2.gz WUAFXWPUPJHBRC-UHFFFAOYSA-N 0 0 237.347 2.049 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@H]1C)c1cccs1 ZINC000158572805 384248285 /nfs/dbraw/zinc/24/82/85/384248285.db2.gz CDAYJSADSGORKT-VGMNWLOBSA-N 0 0 209.314 2.376 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CC(C)(C)C2CC2)C1 ZINC000335383616 384249491 /nfs/dbraw/zinc/24/94/91/384249491.db2.gz FPGAGUYXYYBDCO-JQWIXIFHSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H](CC(=O)Nc1cc[nH]n1)C(C)(C)C ZINC000082618937 384250337 /nfs/dbraw/zinc/25/03/37/384250337.db2.gz SUVJDYRPGOTUMG-MRVPVSSYSA-N 0 0 209.293 2.421 10 0 BEAERN CCc1cc(NC(=O)CCCSC)n[nH]1 ZINC000126539249 384254621 /nfs/dbraw/zinc/25/46/21/384254621.db2.gz DHBAZGLDEKKOED-UHFFFAOYSA-N 0 0 227.333 2.054 10 0 BEAERN C[C@@H](NC(=O)[C@H](C)c1ccccc1)[C@@H]1CCCO1 ZINC000119326954 384262462 /nfs/dbraw/zinc/26/24/62/384262462.db2.gz UIKBYENWINJJOH-BZPMIXESSA-N 0 0 247.338 2.474 10 0 BEAERN COCCN(CCOC)c1cc(C)cc(C)c1 ZINC000119380467 384264606 /nfs/dbraw/zinc/26/46/06/384264606.db2.gz PLDCPZJOAOHTHG-UHFFFAOYSA-N 0 0 237.343 2.403 10 0 BEAERN Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044170814 384316191 /nfs/dbraw/zinc/31/61/91/384316191.db2.gz SVCKGRABAHUSJW-GJZGRUSLSA-N 0 0 249.354 2.139 10 0 BEAERN O=S(=O)(c1cc2ccccc2[nH]1)C1CC1 ZINC000097758219 384280014 /nfs/dbraw/zinc/28/00/14/384280014.db2.gz ANVDTCPTSMZZFH-UHFFFAOYSA-N 0 0 221.281 2.104 10 0 BEAERN CC[C@@H](C)OCC(=O)N[C@H]1COc2ccccc21 ZINC000119553470 384285176 /nfs/dbraw/zinc/28/51/76/384285176.db2.gz ZONWILDYDPSSPM-PWSUYJOCSA-N 0 0 249.310 2.051 10 0 BEAERN C[C@H](CO)CSC[C@@H]1Cc2ccccc2O1 ZINC000085537685 134404346 /nfs/dbraw/zinc/40/43/46/134404346.db2.gz PVZHVPHCAHKUBE-PWSUYJOCSA-N 0 0 238.352 2.352 10 0 BEAERN COCC[C@H](C)Nc1nc(C)ccc1OC ZINC000134307156 384345185 /nfs/dbraw/zinc/34/51/85/384345185.db2.gz HFSAGBULLXSSFN-JTQLQIEISA-N 0 0 224.304 2.236 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1cc(OCC)ncn1 ZINC000228854386 384349057 /nfs/dbraw/zinc/34/90/57/384349057.db2.gz STWUSEJYQXKPKK-NXEZZACHSA-N 0 0 221.304 2.476 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)Nc1ccsc1 ZINC000296746196 384350160 /nfs/dbraw/zinc/35/01/60/384350160.db2.gz XXFFIEAIHUCQGM-WCBMZHEXSA-N 0 0 240.328 2.125 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(N(C)C)cc1 ZINC000076032883 384353725 /nfs/dbraw/zinc/35/37/25/384353725.db2.gz BUPVJBJPENNNRD-SKDRFNHKSA-N 0 0 233.315 2.283 10 0 BEAERN COC(=O)c1cc(O)c2c(cccc2OC)c1 ZINC000013335474 384355578 /nfs/dbraw/zinc/35/55/78/384355578.db2.gz UFHLABJFUQWUGR-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN C[C@@H]1C[C@@H](Nc2ccnc(Cl)n2)CCO1 ZINC000220110049 384364802 /nfs/dbraw/zinc/36/48/02/384364802.db2.gz AUUBUISMUFYQGS-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncnc2ccsc21 ZINC000134569844 384366343 /nfs/dbraw/zinc/36/63/43/384366343.db2.gz DSCDXKQFKCVXNF-YUMQZZPRSA-N 0 0 235.312 2.281 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncccc1Cl ZINC000134575350 384366714 /nfs/dbraw/zinc/36/67/14/384366714.db2.gz JCFCPBXKSVLUOW-IONNQARKSA-N 0 0 212.680 2.324 10 0 BEAERN CCOc1cc(CO)c(OC(F)F)cc1F ZINC000575656340 384367653 /nfs/dbraw/zinc/36/76/53/384367653.db2.gz NZWGXOOZXKKYDA-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Cc1ccc(CC(=O)N[C@H]2C[C@@H]2C)s1 ZINC000075507348 384328108 /nfs/dbraw/zinc/32/81/08/384328108.db2.gz ZVYRAQRIQJJWEI-XVKPBYJWSA-N 0 0 209.314 2.124 10 0 BEAERN Cc1nc(Cl)cc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000134584253 384373102 /nfs/dbraw/zinc/37/31/02/384373102.db2.gz YMNQHPRVYYZHJV-HTRCEHHLSA-N 0 0 227.695 2.028 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1 ZINC000075527760 384330117 /nfs/dbraw/zinc/33/01/17/384330117.db2.gz BLPCDQZBOHKDBW-XCBNKYQSSA-N 0 0 209.676 2.478 10 0 BEAERN CCOc1ccccc1C(=O)N[C@H]1C[C@H]1C ZINC000075519810 384330383 /nfs/dbraw/zinc/33/03/83/384330383.db2.gz VIVHRKHPTIVLAZ-KOLCDFICSA-N 0 0 219.284 2.224 10 0 BEAERN CC(=O)c1cc(C)cc(Br)n1 ZINC000095766195 384394490 /nfs/dbraw/zinc/39/44/90/384394490.db2.gz XIYOJXAMLPRKEO-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000095829293 384399707 /nfs/dbraw/zinc/39/97/07/384399707.db2.gz DKFRIIGHCBCQEW-UTLUCORTSA-N 0 0 209.289 2.476 10 0 BEAERN C[C@@H](O)c1cc(Br)ncc1F ZINC000095829301 384400977 /nfs/dbraw/zinc/40/09/77/384400977.db2.gz SQKAOXWKWKGGRD-SCSAIBSYSA-N 0 0 220.041 2.037 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000095829292 384401045 /nfs/dbraw/zinc/40/10/45/384401045.db2.gz DKFRIIGHCBCQEW-KXUCPTDWSA-N 0 0 209.289 2.476 10 0 BEAERN CC[C@H](N[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974171 384403144 /nfs/dbraw/zinc/40/31/44/384403144.db2.gz BDRVDOLXPHAMQB-KGLIPLIRSA-N 0 0 247.338 2.085 10 0 BEAERN Cc1cccc(-c2c(N)cccc2O)n1 ZINC000095922551 384409618 /nfs/dbraw/zinc/40/96/18/384409618.db2.gz QDJBJLVDCFCFGL-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN COc1cc(C=O)cc(C(C)=O)c1OC(F)F ZINC000575660952 384411225 /nfs/dbraw/zinc/41/12/25/384411225.db2.gz CIBRTISNBVBQTA-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Cc1cc(OC(F)F)cc(CO)c1F ZINC000575660875 384411279 /nfs/dbraw/zinc/41/12/79/384411279.db2.gz BVVUGOGRVQCXNC-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CC(=O)c1c(O)cc(OC(F)F)cc1C=O ZINC000575660888 384412548 /nfs/dbraw/zinc/41/25/48/384412548.db2.gz BKYPOADRJICDRT-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN Cc1ccc(OC(F)F)c(CO)c1F ZINC000575661077 384414719 /nfs/dbraw/zinc/41/47/19/384414719.db2.gz IDSMJZNFJYGWBJ-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN COC(=O)N(c1ccccn1)C(C)(C)C ZINC000095936497 384415012 /nfs/dbraw/zinc/41/50/12/384415012.db2.gz MADGQBOFIDCNGH-UHFFFAOYSA-N 0 0 208.261 2.453 10 0 BEAERN CCCc1c(Br)ccnc1N ZINC000095935564 384415067 /nfs/dbraw/zinc/41/50/67/384415067.db2.gz BMBPZGUEZMWDFB-UHFFFAOYSA-N 0 0 215.094 2.379 10 0 BEAERN COc1cc(O)cc(OC(F)F)c1C(C)=O ZINC000575662661 384423552 /nfs/dbraw/zinc/42/35/52/384423552.db2.gz FZMQTYWJGHIDCV-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1cc(O)c(C)c(OC(F)F)c1 ZINC000575664598 384427405 /nfs/dbraw/zinc/42/74/05/384427405.db2.gz JGKJYJLVNRAHBS-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CSCCC(=O)NC1(C)Cc2ccccc2C1 ZINC000120818989 384382951 /nfs/dbraw/zinc/38/29/51/384382951.db2.gz QFHCKRDTEZVZKD-UHFFFAOYSA-N 0 0 249.379 2.413 10 0 BEAERN O=C1CCCc2cc(Br)cnc21 ZINC000095642446 384384762 /nfs/dbraw/zinc/38/47/62/384384762.db2.gz CWFXXVRLJLOYLP-UHFFFAOYSA-N 0 0 226.073 2.363 10 0 BEAERN CN1CCNc2ccc(Br)cc21 ZINC000076936269 384388499 /nfs/dbraw/zinc/38/84/99/384388499.db2.gz AQBNWIOESLEWRM-UHFFFAOYSA-N 0 0 227.105 2.311 10 0 BEAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082699277 384439517 /nfs/dbraw/zinc/43/95/17/384439517.db2.gz DFGMFRKSFIJVLX-WDEREUQCSA-N 0 0 240.347 2.090 10 0 BEAERN CCC1(NC(=O)Cc2ccc(O)cc2)CCC1 ZINC000122097904 384457407 /nfs/dbraw/zinc/45/74/07/384457407.db2.gz AVFVUAFGFJUCQX-UHFFFAOYSA-N 0 0 233.311 2.384 10 0 BEAERN CCOc1c(O)cc(C(F)F)cc1CO ZINC000575667641 384444151 /nfs/dbraw/zinc/44/41/51/384444151.db2.gz SXKOPCZRJTYLQP-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN COC(=O)c1ccc(C)c2c1C=CCO2 ZINC000047844961 384468382 /nfs/dbraw/zinc/46/83/82/384468382.db2.gz CQANYVYPWVZLIU-UHFFFAOYSA-N 0 0 204.225 2.187 10 0 BEAERN CN(C)NCc1cccc(Cl)c1F ZINC000229238979 384470321 /nfs/dbraw/zinc/47/03/21/384470321.db2.gz ZSHLNUOTOXPLSI-UHFFFAOYSA-N 0 0 202.660 2.045 10 0 BEAERN COC(=O)[C@H]1CC[C@@H](c2ccccc2C)CN1 ZINC000079026401 384480186 /nfs/dbraw/zinc/48/01/86/384480186.db2.gz DHMSYKCKJJPEIN-DGCLKSJQSA-N 0 0 233.311 2.004 10 0 BEAERN Nc1nc(-c2ccc(F)cc2)nc2c1CCC2 ZINC000050844570 384495540 /nfs/dbraw/zinc/49/55/40/384495540.db2.gz ZSVMALOEKXVUQA-UHFFFAOYSA-N 0 0 229.258 2.354 10 0 BEAERN CCc1cc(N)nc(-c2ccsc2)n1 ZINC000050846296 384496240 /nfs/dbraw/zinc/49/62/40/384496240.db2.gz SMQYOHKVYSHODL-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN Cc1ccc([C@@H](C)Nc2nccn3cnnc23)o1 ZINC000079468711 384499016 /nfs/dbraw/zinc/49/90/16/384499016.db2.gz DFXFPTHWGWLMLH-SECBINFHSA-N 0 0 243.270 2.199 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCC2CCC(C)CC2)O1 ZINC000150792272 384507388 /nfs/dbraw/zinc/50/73/88/384507388.db2.gz ROCNQLJFXJUYOC-POOIEITISA-N 0 0 239.359 2.496 10 0 BEAERN COc1cc(C2=NC(C)(C)N=C2C)ccc1O ZINC000169466622 384486610 /nfs/dbraw/zinc/48/66/10/384486610.db2.gz UBDFYAAYCZNGLQ-UHFFFAOYSA-N 0 0 232.283 2.401 10 0 BEAERN CC[C@H](CO)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000163720925 384490913 /nfs/dbraw/zinc/49/09/13/384490913.db2.gz FAROQOOSDWJLKR-SDDRHHMPSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1c(CNc2ccc(Cl)nc2)cnn1C ZINC000122831792 384513375 /nfs/dbraw/zinc/51/33/75/384513375.db2.gz BPTXQXCMTPNKQC-UHFFFAOYSA-N 0 0 236.706 2.389 10 0 BEAERN CCN(C)c1ccnc(Br)c1 ZINC000044118601 384513664 /nfs/dbraw/zinc/51/36/64/384513664.db2.gz DCGDPCCDANBEBM-UHFFFAOYSA-N 0 0 215.094 2.300 10 0 BEAERN Nc1c(Cl)cnn1[C@@H]1CCCSC1 ZINC000061589762 384519500 /nfs/dbraw/zinc/51/95/00/384519500.db2.gz HWTXYOBYSZQGRN-ZCFIWIBFSA-N 0 0 217.725 2.187 10 0 BEAERN C[NH2+][C@]1(c2nc(C)cs2)CCCSC1 ZINC000061590712 384519696 /nfs/dbraw/zinc/51/96/96/384519696.db2.gz ZQKPXELGELVPJU-SNVBAGLBSA-N 0 0 228.386 2.393 10 0 BEAERN Cc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)c(C)c1 ZINC000071967402 384527612 /nfs/dbraw/zinc/52/76/12/384527612.db2.gz BFLYFBPEMHFNNK-KBPBESRZSA-N 0 0 244.338 2.286 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151209578 384548344 /nfs/dbraw/zinc/54/83/44/384548344.db2.gz ROQQVXSMCMTYCY-BDAKNGLRSA-N 0 0 235.274 2.058 10 0 BEAERN Cn1ccnc1CNCc1cccc(Cl)c1 ZINC000049773045 384563449 /nfs/dbraw/zinc/56/34/49/384563449.db2.gz QOZBEXMXWGDHJZ-UHFFFAOYSA-N 0 0 235.718 2.363 10 0 BEAERN CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)CC2CC2)C1 ZINC000248808304 384553389 /nfs/dbraw/zinc/55/33/89/384553389.db2.gz WVEIMYBOFFPWPK-MVWJERBFSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)C1(CNC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000176028662 384538021 /nfs/dbraw/zinc/53/80/21/384538021.db2.gz OTAKFLRTFMQIRJ-VHSXEESVSA-N 0 0 210.321 2.130 10 0 BEAERN CCC1CCC(Nc2nc(C)nc(N)n2)CC1 ZINC000306106474 384572429 /nfs/dbraw/zinc/57/24/29/384572429.db2.gz RPNNDHNIBJANDH-UHFFFAOYSA-N 0 0 235.335 2.143 10 0 BEAERN Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)nc1 ZINC000184233139 384582008 /nfs/dbraw/zinc/58/20/08/384582008.db2.gz UWJHBRFAGDMGJW-MNOVXSKESA-N 0 0 249.314 2.079 10 0 BEAERN O=Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000098095406 384590951 /nfs/dbraw/zinc/59/09/51/384590951.db2.gz LYMDICROKQTMLL-UHFFFAOYSA-N 0 0 230.622 2.337 10 0 BEAERN CC(C)(C(=O)Nc1cc[nH]n1)c1ccccc1F ZINC000102942876 384590910 /nfs/dbraw/zinc/59/09/10/384590910.db2.gz AEACWQPPOYGCAD-UHFFFAOYSA-N 0 0 247.273 2.465 10 0 BEAERN CCN(C(=O)[C@H](C)COC)c1ccc(F)cc1 ZINC000103361143 384609077 /nfs/dbraw/zinc/60/90/77/384609077.db2.gz NIMRUVCQQXHWEK-SNVBAGLBSA-N 0 0 239.290 2.461 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000103364106 384609710 /nfs/dbraw/zinc/60/97/10/384609710.db2.gz DJKDUMDZKUDPKA-NNYUYHANSA-N 0 0 227.348 2.210 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000103372536 384611048 /nfs/dbraw/zinc/61/10/48/384611048.db2.gz VCJVVZOQNPBRMX-SDDRHHMPSA-N 0 0 227.348 2.306 10 0 BEAERN C[C@]1(C(=O)NCC2CC2)CC1(Cl)Cl ZINC000043752393 384618842 /nfs/dbraw/zinc/61/88/42/384618842.db2.gz NKBHMUREYIXFIP-MRVPVSSYSA-N 0 0 222.115 2.097 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1cc(Cl)ncn1 ZINC000050376731 384621453 /nfs/dbraw/zinc/62/14/53/384621453.db2.gz KDYNANQYWUDQMS-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN NS(=O)(=O)C1CCC(c2ccccc2)CC1 ZINC000050350040 384622565 /nfs/dbraw/zinc/62/25/65/384622565.db2.gz KFWBOBULEAFYDJ-UHFFFAOYSA-N 0 0 239.340 2.001 10 0 BEAERN C[C@H]1CN(CCOCC(F)(F)F)CCS1 ZINC000171688469 384627679 /nfs/dbraw/zinc/62/76/79/384627679.db2.gz OAHLCFSTDNOTOH-QMMMGPOBSA-N 0 0 243.294 2.003 10 0 BEAERN CC[C@@H](C)CSCC(=O)Nc1nc(C)no1 ZINC000124346883 384633912 /nfs/dbraw/zinc/63/39/12/384633912.db2.gz SUCPSNPHIAMGMK-SSDOTTSWSA-N 0 0 243.332 2.096 10 0 BEAERN CNc1cc(Br)cc(C)c1N ZINC000098179019 384599216 /nfs/dbraw/zinc/59/92/16/384599216.db2.gz MAJVZCZNMRBQNK-UHFFFAOYSA-N 0 0 215.094 2.381 10 0 BEAERN CCN(C(C)=O)[C@@H]1CCc2ccccc2C1 ZINC000098178946 384599255 /nfs/dbraw/zinc/59/92/55/384599255.db2.gz FXLFTEVUBJDALN-CQSZACIVSA-N 0 0 217.312 2.412 10 0 BEAERN CC(=O)n1c(Cl)cc2ccccc2c1=O ZINC000098179229 384599602 /nfs/dbraw/zinc/59/96/02/384599602.db2.gz ONGAGOUQWRIZSM-UHFFFAOYSA-N 0 0 221.643 2.315 10 0 BEAERN COC(=O)c1cc2[nH]c(=S)[nH]c2cc1Cl ZINC000098180992 384601607 /nfs/dbraw/zinc/60/16/07/384601607.db2.gz QZDSKHJBTZHXRJ-UHFFFAOYSA-N 0 0 242.687 2.292 10 0 BEAERN COC(=O)c1cc(O)c2c(O)cc(OC)cc2c1 ZINC000082311402 384665858 /nfs/dbraw/zinc/66/58/58/384665858.db2.gz PXPWMZJYIUZLAP-UHFFFAOYSA-N 0 0 248.234 2.046 10 0 BEAERN c1ccc2c(c1)CC[C@@H](Nc1cnccn1)C2 ZINC000051449030 384668180 /nfs/dbraw/zinc/66/81/80/384668180.db2.gz ONJPUABEFOLRSZ-CYBMUJFWSA-N 0 0 225.295 2.446 10 0 BEAERN CSc1cccc(N(C)C(N)=S)c1 ZINC000082163142 384646518 /nfs/dbraw/zinc/64/65/18/384646518.db2.gz DAPXVWQNXCPKEH-UHFFFAOYSA-N 0 0 212.343 2.088 10 0 BEAERN COc1sc(C=O)cc1Br ZINC000082164225 384650729 /nfs/dbraw/zinc/65/07/29/384650729.db2.gz VCUVVHCEXSTWFK-UHFFFAOYSA-N 0 0 221.075 2.332 10 0 BEAERN CN1c2ncccc2[C@H](Cc2ccccc2)C1=O ZINC000100727608 384652188 /nfs/dbraw/zinc/65/21/88/384652188.db2.gz PRGXRAPTPSGGIP-ZDUSSCGKSA-N 0 0 238.290 2.384 10 0 BEAERN C[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)N1 ZINC000238437508 384660013 /nfs/dbraw/zinc/66/00/13/384660013.db2.gz FQRMBGGAKFARQJ-IUCAKERBSA-N 0 0 214.309 2.299 10 0 BEAERN CCC1CCC(NC(=O)c2cncc(O)c2)CC1 ZINC000104413931 384685083 /nfs/dbraw/zinc/68/50/83/384685083.db2.gz MLMRQZIODUDURA-UHFFFAOYSA-N 0 0 248.326 2.486 10 0 BEAERN Cn1c(C=O)ccc1C(=O)c1ccccc1 ZINC000220189046 384692072 /nfs/dbraw/zinc/69/20/72/384692072.db2.gz WZLJSVNVTCXGPS-UHFFFAOYSA-N 0 0 213.236 2.069 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1C ZINC000051989794 384707884 /nfs/dbraw/zinc/70/78/84/384707884.db2.gz NHKBWFULAZNTGA-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN O=C(CCCOc1ccccc1)N1CCCO1 ZINC000125385068 384714913 /nfs/dbraw/zinc/71/49/13/384714913.db2.gz AYFMICQEINXMFA-UHFFFAOYSA-N 0 0 235.283 2.010 10 0 BEAERN O=C(c1ccco1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000125474205 384718876 /nfs/dbraw/zinc/71/88/76/384718876.db2.gz RVDCHRBSSOLJRE-SMDDNHRTSA-N 0 0 249.310 2.047 10 0 BEAERN CN(C)c1ccc(C(=O)N2CCCC2(C)C)cn1 ZINC000102918700 384736209 /nfs/dbraw/zinc/73/62/09/384736209.db2.gz KGFDLKSUHGESKD-UHFFFAOYSA-N 0 0 247.342 2.162 10 0 BEAERN C[C@@H](Nc1nc2ccccc2o1)[C@H](C)CO ZINC000125633739 384737993 /nfs/dbraw/zinc/73/79/93/384737993.db2.gz BLEUWMAYQCJDSI-RKDXNWHRSA-N 0 0 220.272 2.257 10 0 BEAERN CCOC(=O)Cc1cc(O)cc(OC)c1Cl ZINC000575701074 384745662 /nfs/dbraw/zinc/74/56/62/384745662.db2.gz RUAOFWGIMJEGQK-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCOC(=O)Cc1cc(F)c(O)cc1Cl ZINC000575701365 384750215 /nfs/dbraw/zinc/75/02/15/384750215.db2.gz WZCYBWQNLFGJBJ-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)c1cc(O)cc(F)c1Cl ZINC000575701409 384750276 /nfs/dbraw/zinc/75/02/76/384750276.db2.gz YCGXUIHYLJHHBG-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CCCC(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000052974039 384756920 /nfs/dbraw/zinc/75/69/20/384756920.db2.gz OZZYTRZJAHWYRX-GFCCVEGCSA-N 0 0 249.310 2.207 10 0 BEAERN CCc1ccc(OC)c(C(F)(F)F)c1C(N)=O ZINC000575702144 384759031 /nfs/dbraw/zinc/75/90/31/384759031.db2.gz CYHWWDTYJAGTOP-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000103357030 384761652 /nfs/dbraw/zinc/76/16/52/384761652.db2.gz ZISJJCQZHNSBMZ-VIFPVBQESA-N 0 0 235.283 2.110 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000103356008 384762535 /nfs/dbraw/zinc/76/25/35/384762535.db2.gz FEUVIKCJJLUEDE-JTQLQIEISA-N 0 0 207.273 2.216 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000103356982 384762697 /nfs/dbraw/zinc/76/26/97/384762697.db2.gz ZGZWYYNYUBBDPQ-ZETCQYMHSA-N 0 0 229.226 2.186 10 0 BEAERN C[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)c1ccccc1 ZINC000125955183 384763018 /nfs/dbraw/zinc/76/30/18/384763018.db2.gz VPXJEOJGSZOXOC-AVGNSLFASA-N 0 0 247.338 2.426 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(F)cc(F)c1 ZINC000103362448 384764619 /nfs/dbraw/zinc/76/46/19/384764619.db2.gz JBSJLPCDOXFITF-SSDOTTSWSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@H](C)C(=O)NCc1ccc(F)c(C)c1 ZINC000103362878 384764760 /nfs/dbraw/zinc/76/47/60/384764760.db2.gz QQYYKAOLHFOEHS-JTQLQIEISA-N 0 0 239.290 2.033 10 0 BEAERN COC[C@H](C)C(=O)NCC1(c2ccccc2)CC1 ZINC000103363021 384765029 /nfs/dbraw/zinc/76/50/29/384765029.db2.gz ZLOKYHNNFFNVSQ-LBPRGKRZSA-N 0 0 247.338 2.117 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000103359987 384765112 /nfs/dbraw/zinc/76/51/12/384765112.db2.gz DIAMXXFNHGKDPB-RYUDHWBXSA-N 0 0 235.327 2.455 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1ccccc1F ZINC000103389767 384767195 /nfs/dbraw/zinc/76/71/95/384767195.db2.gz OCMJPEVZTBJSBN-SECBINFHSA-N 0 0 225.263 2.071 10 0 BEAERN COC[C@H](C)C(=O)N(C)Cc1ccc(C)s1 ZINC000103394162 384767282 /nfs/dbraw/zinc/76/72/82/384767282.db2.gz AACCOOXJOKNXDM-VIFPVBQESA-N 0 0 241.356 2.297 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000103391370 384768529 /nfs/dbraw/zinc/76/85/29/384768529.db2.gz DGKBKESLBVXMDX-LLVKDONJSA-N 0 0 221.300 2.240 10 0 BEAERN CCCc1ccnc(Br)n1 ZINC000072204603 384818816 /nfs/dbraw/zinc/81/88/16/384818816.db2.gz NBHIGVWHYKIQMG-UHFFFAOYSA-N 0 0 201.067 2.192 10 0 BEAERN Cc1cnc(NC2CCC(O)CC2)nc1Cl ZINC000072203485 384820034 /nfs/dbraw/zinc/82/00/34/384820034.db2.gz VLACQWICPSBIKC-UHFFFAOYSA-N 0 0 241.722 2.154 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccccc1F ZINC000108994061 384820718 /nfs/dbraw/zinc/82/07/18/384820718.db2.gz CCWSBYKEXVUVTJ-AUTRQRHGSA-N 0 0 221.275 2.454 10 0 BEAERN CNc1ccc(C(N)=S)cc1Cl ZINC000062795063 384827784 /nfs/dbraw/zinc/82/77/84/384827784.db2.gz BZKZXIBQTZYTQA-UHFFFAOYSA-N 0 0 200.694 2.016 10 0 BEAERN Clc1cnccc1N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689648 384828922 /nfs/dbraw/zinc/82/89/22/384828922.db2.gz IEJSNMUZQPHHSP-GGVZMXCHSA-N 0 0 224.691 2.467 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(F)c(F)cc1F ZINC000104481714 384832206 /nfs/dbraw/zinc/83/22/06/384832206.db2.gz XGRPSZGLDJFKFE-ZCFIWIBFSA-N 0 0 247.216 2.325 10 0 BEAERN COC[C@@H](C)C(=O)NC1(Cc2ccccc2)CC1 ZINC000186273764 384832894 /nfs/dbraw/zinc/83/28/94/384832894.db2.gz SFTXEBJUMYHSQY-GFCCVEGCSA-N 0 0 247.338 2.160 10 0 BEAERN CCc1cc(OC)cc(C(F)(F)F)c1C(N)=O ZINC000575704193 384781470 /nfs/dbraw/zinc/78/14/70/384781470.db2.gz UGEQAHPHWRSDEP-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)CO ZINC000126259848 384782222 /nfs/dbraw/zinc/78/22/22/384782222.db2.gz ZXVOBRNGVHODPN-VIFPVBQESA-N 0 0 241.718 2.101 10 0 BEAERN CCSc1ccc([C@H]2CC(=O)N(C)C2=O)cc1 ZINC000103622865 384782895 /nfs/dbraw/zinc/78/28/95/384782895.db2.gz WDNYXLCZJDZTTQ-LLVKDONJSA-N 0 0 249.335 2.271 10 0 BEAERN CCc1c(OC)ccc(C(N)=O)c1C(F)(F)F ZINC000575704051 384783459 /nfs/dbraw/zinc/78/34/59/384783459.db2.gz QFUUIVYTNKYXQH-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1cc(CO)c(SC)cc1OC ZINC000575704074 384784459 /nfs/dbraw/zinc/78/44/59/384784459.db2.gz UGLGYTIGXWPJBM-UHFFFAOYSA-N 0 0 212.314 2.472 10 0 BEAERN CCc1ccc(C(F)(F)F)c(OC)c1C(N)=O ZINC000575704661 384785885 /nfs/dbraw/zinc/78/58/85/384785885.db2.gz YLKQDCZKUZZRCP-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CC(C)[C@H](C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000061820539 384790194 /nfs/dbraw/zinc/79/01/94/384790194.db2.gz QZZGPROYMQDUPL-SNVBAGLBSA-N 0 0 213.321 2.218 10 0 BEAERN O=Cc1cc(OC(F)(F)F)cc(CO)c1F ZINC000575705253 384790309 /nfs/dbraw/zinc/79/03/09/384790309.db2.gz GZZHSFBDQNIZQZ-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000105858809 384807205 /nfs/dbraw/zinc/80/72/05/384807205.db2.gz HGKIGAPRLMLNAG-GFCCVEGCSA-N 0 0 249.358 2.401 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000163440284 384807396 /nfs/dbraw/zinc/80/73/96/384807396.db2.gz MYIITZGWCSHSPD-ANLVUFKYSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(c2ncc(Cl)cc2F)C1 ZINC000335240267 384872204 /nfs/dbraw/zinc/87/22/04/384872204.db2.gz XLAOYZAINUKVQU-VXNVDRBHSA-N 0 0 244.697 2.081 10 0 BEAERN C[C@]1(CO)CCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000301481851 384877725 /nfs/dbraw/zinc/87/77/25/384877725.db2.gz FDALHMFMFDKYCR-GXSJLCMTSA-N 0 0 241.722 2.093 10 0 BEAERN CCOc1cc(CC)c(N)cc1C(C)=O ZINC000575716507 384877890 /nfs/dbraw/zinc/87/78/90/384877890.db2.gz DLUTWKACIPAFTJ-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nc(COC)ns1 ZINC000301533729 384889987 /nfs/dbraw/zinc/88/99/87/384889987.db2.gz IKOKVEBHJJKCMP-JGVFFNPUSA-N 0 0 227.333 2.285 10 0 BEAERN CCOC(=O)Cc1cc(O)c(OC)cc1Cl ZINC000258197085 384884182 /nfs/dbraw/zinc/88/41/82/384884182.db2.gz IHGDHKIZXJKFOO-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C1(C)CCCCC1 ZINC000336233910 384839216 /nfs/dbraw/zinc/83/92/16/384839216.db2.gz ZFJQMHBFDFVUJU-NEPJUHHUSA-N 0 0 239.359 2.329 10 0 BEAERN COC[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174864010 384846464 /nfs/dbraw/zinc/84/64/64/384846464.db2.gz HOSSLUPODIZNSQ-SECBINFHSA-N 0 0 248.282 2.495 10 0 BEAERN OCc1ccc([C@H](O)c2ccccc2)cc1 ZINC000038235123 384850960 /nfs/dbraw/zinc/85/09/60/384850960.db2.gz WXMRTXLVRIIFAG-CQSZACIVSA-N 0 0 214.264 2.261 10 0 BEAERN OCc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000038235120 384851979 /nfs/dbraw/zinc/85/19/79/384851979.db2.gz WXMRTXLVRIIFAG-AWEZNQCLSA-N 0 0 214.264 2.261 10 0 BEAERN c1ccc2c(c1)OCC[C@H]2NCc1cncnc1 ZINC000054767630 384856049 /nfs/dbraw/zinc/85/60/49/384856049.db2.gz SYOCTGHSRKGXKI-CYBMUJFWSA-N 0 0 241.294 2.090 10 0 BEAERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1 ZINC000209267528 384858030 /nfs/dbraw/zinc/85/80/30/384858030.db2.gz KJPNIJHQYGSMGP-NSHDSACASA-N 0 0 207.273 2.032 10 0 BEAERN COC(=O)c1c(O)ccc(C(F)(F)F)c1F ZINC000575714299 384861262 /nfs/dbraw/zinc/86/12/62/384861262.db2.gz PXEZDQPATNNBCL-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN CCc1ccc(C#N)c(C(C)=O)c1[N+](=O)[O-] ZINC000575646833 384864837 /nfs/dbraw/zinc/86/48/37/384864837.db2.gz JRNNJZCOSHKSGI-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCC1(CNC(=O)c2cnn3c2CCCC3)CC1 ZINC000127408995 384894176 /nfs/dbraw/zinc/89/41/76/384894176.db2.gz CQFZXNMVVHXHEO-UHFFFAOYSA-N 0 0 247.342 2.139 10 0 BEAERN Cc1ccc(-c2nc(Br)no2)o1 ZINC000156570591 384897079 /nfs/dbraw/zinc/89/70/79/384897079.db2.gz HMFRZDRKEFHZQR-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN COc1cc(F)cc(N)c1Br ZINC000575722112 384898724 /nfs/dbraw/zinc/89/87/24/384898724.db2.gz FZHQOZGVQLYZPM-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CCOc1ccc(Br)c(OC)c1N ZINC000575722955 384900830 /nfs/dbraw/zinc/90/08/30/384900830.db2.gz PPEIQIABLUBATI-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN COc1cc(C)cc(N)c1OC(F)F ZINC000575723219 384900984 /nfs/dbraw/zinc/90/09/84/384900984.db2.gz MRYBSVXPEPDONE-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CC(=O)c1cc(N)cc(C(F)(F)F)c1N ZINC000575723379 384901098 /nfs/dbraw/zinc/90/10/98/384901098.db2.gz RZJPSXGCJIETBL-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN Nc1cc(OC(F)F)c(N)c(C(F)F)c1 ZINC000575722673 384902226 /nfs/dbraw/zinc/90/22/26/384902226.db2.gz JTKBIHFTHVNVOV-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN CCOc1cc(Br)cc(N)c1O ZINC000575723285 384902416 /nfs/dbraw/zinc/90/24/16/384902416.db2.gz TWQKXGAGVCGAGN-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)/C=C\Sc1ccccn1 ZINC000049803500 384903833 /nfs/dbraw/zinc/90/38/33/384903833.db2.gz SGFYWWCRHMMFRY-VURMDHGXSA-N 0 0 209.270 2.251 10 0 BEAERN CCOC(=O)c1cc(N)cc(CC)c1OCC ZINC000575724055 384904395 /nfs/dbraw/zinc/90/43/95/384904395.db2.gz QSTCYAOCWIYABP-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCCc1nnc(NC[C@H](O)CCC)s1 ZINC000301645791 384904388 /nfs/dbraw/zinc/90/43/88/384904388.db2.gz DBCGNACRCPFGOT-MRVPVSSYSA-N 0 0 229.349 2.064 10 0 BEAERN CCOC(=O)Cc1cc(N)c(C)c(OCC)c1 ZINC000575724120 384905066 /nfs/dbraw/zinc/90/50/66/384905066.db2.gz USSNQLZGAXFUPW-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)c1cc(N)c(CC)cc1F ZINC000575724090 384906291 /nfs/dbraw/zinc/90/62/91/384906291.db2.gz SHAGSQLOOCERTK-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCCc1nnc(NC[C@H](C)C[C@@H](C)O)s1 ZINC000301666091 384907548 /nfs/dbraw/zinc/90/75/48/384907548.db2.gz MBZHKUFBBDFVSH-RKDXNWHRSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1c(N)ccc(N)c1C(F)(F)F ZINC000575724824 384908242 /nfs/dbraw/zinc/90/82/42/384908242.db2.gz BRWXDTSYHZIMEH-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN CCOC(=O)Cc1c(C)cc(N)cc1CC ZINC000575724700 384910625 /nfs/dbraw/zinc/91/06/25/384910625.db2.gz QFUVDUYKNYCGAF-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nccc(N(C)C)n1 ZINC000301760373 384911370 /nfs/dbraw/zinc/91/13/70/384911370.db2.gz LYBFCNWHAZEEPP-ZJUUUORDSA-N 0 0 220.320 2.143 10 0 BEAERN CCOc1cncc(N[C@@H]2C[C@H]2CC)n1 ZINC000301707360 384912102 /nfs/dbraw/zinc/91/21/02/384912102.db2.gz SUHBWNIDTZSGEF-RKDXNWHRSA-N 0 0 207.277 2.086 10 0 BEAERN C/C=C\C[S@](=O)Cc1nccn1C(C)C ZINC000255662785 384917436 /nfs/dbraw/zinc/91/74/36/384917436.db2.gz UJTFJCXZGJFSST-XVWMLYKFSA-N 0 0 226.345 2.289 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000150030804 384959302 /nfs/dbraw/zinc/95/93/02/384959302.db2.gz QLAVLFXDJJKGKK-RNFRBKRXSA-N 0 0 247.220 2.085 10 0 BEAERN COc1ccc(O)c(C(F)(F)F)c1N ZINC000575727916 384918972 /nfs/dbraw/zinc/91/89/72/384918972.db2.gz KZQABCAMZZLHOH-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN C[C@@H]1C[C@H]1Nc1cc(NCC2CC2)ncn1 ZINC000301830061 384928658 /nfs/dbraw/zinc/92/86/58/384928658.db2.gz PMDLKCHAKLXUHK-PSASIEDQSA-N 0 0 218.304 2.119 10 0 BEAERN CC(=O)c1csc(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000106769674 384930614 /nfs/dbraw/zinc/93/06/14/384930614.db2.gz BWMDWZHKBYBMOE-HZGVNTEJSA-N 0 0 223.297 2.089 10 0 BEAERN Nc1cccc2c1CCN[C@H]2C(F)(F)F ZINC000057219172 384935622 /nfs/dbraw/zinc/93/56/22/384935622.db2.gz PUSXLLMFSROTFL-SECBINFHSA-N 0 0 216.206 2.018 10 0 BEAERN O=C(NCC[C@@H]1CCCO1)Nc1ccccc1 ZINC000025236546 384940276 /nfs/dbraw/zinc/94/02/76/384940276.db2.gz CODJGQGSZQMVHA-LBPRGKRZSA-N 0 0 234.299 2.377 10 0 BEAERN CCn1ccnc1C[S@](=O)C1CCCCC1 ZINC000177295989 384945434 /nfs/dbraw/zinc/94/54/34/384945434.db2.gz QTAYMZQUVLQXPW-INIZCTEOSA-N 0 0 240.372 2.484 10 0 BEAERN Cc1ccnc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000156735925 384948665 /nfs/dbraw/zinc/94/86/65/384948665.db2.gz OPHAYNUVZFWISZ-TUAOUCFPSA-N 0 0 247.342 2.035 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nccnc1N(C)C ZINC000302197533 384977416 /nfs/dbraw/zinc/97/74/16/384977416.db2.gz PKQTVZVNKJFRCH-UWVGGRQHSA-N 0 0 220.320 2.143 10 0 BEAERN CCCC(=O)N1CCc2cc(OC)ccc21 ZINC000058715594 385021689 /nfs/dbraw/zinc/02/16/89/385021689.db2.gz WMTAGNDKJUHIKZ-UHFFFAOYSA-N 0 0 219.284 2.384 10 0 BEAERN Cc1nn(Cc2ccco2)c(N)c1Cl ZINC000043667394 384982577 /nfs/dbraw/zinc/98/25/77/384982577.db2.gz WPIOVESRJNUZPF-UHFFFAOYSA-N 0 0 211.652 2.068 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175961799 384989432 /nfs/dbraw/zinc/98/94/32/384989432.db2.gz GWLRNZNVYOHVNT-MRFFXNKRSA-N 0 0 241.334 2.415 10 0 BEAERN CC(C)=CCNC(=O)N[C@H]1COc2ccccc21 ZINC000187936082 384998645 /nfs/dbraw/zinc/99/86/45/384998645.db2.gz WTNNSVZODBFUMJ-LBPRGKRZSA-N 0 0 246.310 2.386 10 0 BEAERN CC(C)(C)c1nnc(N[C@@H]2CCC[C@@H]2O)s1 ZINC000302676016 385005843 /nfs/dbraw/zinc/00/58/43/385005843.db2.gz PVMRTESLHOJNHN-SFYZADRCSA-N 0 0 241.360 2.161 10 0 BEAERN CC(C)c1nsc(N[C@H](C)[C@@H](C)CO)n1 ZINC000129611113 385011271 /nfs/dbraw/zinc/01/12/71/385011271.db2.gz VTSZMMFYHVVVIX-JGVFFNPUSA-N 0 0 229.349 2.090 10 0 BEAERN Cn1cc([C@H]2CC[N@H+](Cc3ccsc3)C2)cn1 ZINC000128537771 385047932 /nfs/dbraw/zinc/04/79/32/385047932.db2.gz OGNSOGPFUQXHNL-LBPRGKRZSA-N 0 0 247.367 2.471 10 0 BEAERN CCC1(NC(=O)N[C@H](C)[C@@H]2CCCO2)CCC1 ZINC000175959245 385055294 /nfs/dbraw/zinc/05/52/94/385055294.db2.gz ZEGGEGQNIXXOKG-MNOVXSKESA-N 0 0 240.347 2.186 10 0 BEAERN CNc1nc(CNC(=O)OC(C)(C)C)cs1 ZINC000060280149 385077022 /nfs/dbraw/zinc/07/70/22/385077022.db2.gz QFRVEGCFUXBDIZ-UHFFFAOYSA-N 0 0 243.332 2.210 10 0 BEAERN Cc1cc(=O)[nH]c(-c2cccc3c2ccn3C)n1 ZINC000058827458 385027578 /nfs/dbraw/zinc/02/75/78/385027578.db2.gz MTFFOAXRSTXYPZ-UHFFFAOYSA-N 0 0 239.278 2.237 10 0 BEAERN C[C@H]1CN(Cc2cccc(F)c2N)C[C@H](C)O1 ZINC000156332704 385037005 /nfs/dbraw/zinc/03/70/05/385037005.db2.gz KVIQOGWAUVVXNE-UWVGGRQHSA-N 0 0 238.306 2.017 10 0 BEAERN Cc1csc(C(=O)N2CCC[C@H](O)[C@H]2C)c1 ZINC000296130837 385038247 /nfs/dbraw/zinc/03/82/47/385038247.db2.gz RDSLTXKWGFWHLE-ZJUUUORDSA-N 0 0 239.340 2.042 10 0 BEAERN Nc1ncnc(N2C[C@H]3CCCC[C@H]32)c1Cl ZINC000377350334 385046197 /nfs/dbraw/zinc/04/61/97/385046197.db2.gz LDRIICYARBVPJN-HTQZYQBOSA-N 0 0 238.722 2.091 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc2ccn(C)c21 ZINC000188998738 385110878 /nfs/dbraw/zinc/11/08/78/385110878.db2.gz NUWFKSNJWKZGCI-SNVBAGLBSA-N 0 0 246.310 2.399 10 0 BEAERN CN(CC1CCC1)C1N=NC(=S)S1 ZINC000061482375 385119928 /nfs/dbraw/zinc/11/99/28/385119928.db2.gz RCMBLBQORSWYFX-UHFFFAOYSA-N 0 0 215.347 2.063 10 0 BEAERN COc1ncccc1N[C@@H]1CCCSC1 ZINC000061577480 385123259 /nfs/dbraw/zinc/12/32/59/385123259.db2.gz FKXHXBAVMNFRMM-SECBINFHSA-N 0 0 224.329 2.398 10 0 BEAERN Cn1cc([C@@H]2CCCN2C(=O)C=C2CCC2)cn1 ZINC000151719988 385128691 /nfs/dbraw/zinc/12/86/91/385128691.db2.gz CCKIFLJVFYIETH-ZDUSSCGKSA-N 0 0 245.326 2.194 10 0 BEAERN COc1ccc2[nH]c(C(=O)N[C@@H]3C[C@@H]3C)cc2c1 ZINC000189235353 385137099 /nfs/dbraw/zinc/13/70/99/385137099.db2.gz LOMKDBCEEMBLAE-QPUJVOFHSA-N 0 0 244.294 2.315 10 0 BEAERN CC[NH+](CC)CCNc1ccccc1C(=O)[O-] ZINC000050912930 385094032 /nfs/dbraw/zinc/09/40/32/385094032.db2.gz JXUJGVNIPRTPJX-UHFFFAOYSA-N 0 0 236.315 2.139 10 0 BEAERN Cc1ccc(O)c(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000189795797 385183058 /nfs/dbraw/zinc/18/30/58/385183058.db2.gz MVHZRDAOHLCUHP-WDEREUQCSA-N 0 0 249.310 2.454 10 0 BEAERN CCN(C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000109706557 385185851 /nfs/dbraw/zinc/18/58/51/385185851.db2.gz OIFPFKHVWYMCRH-SNVBAGLBSA-N 0 0 233.233 2.436 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)CC1=CCCCC1 ZINC000305070511 385192602 /nfs/dbraw/zinc/19/26/02/385192602.db2.gz OFHMLBCCTMYMEL-GFCCVEGCSA-N 0 0 239.359 2.400 10 0 BEAERN CCc1ccc(C(=O)NC[C@H](O)C(C)(C)C)cc1 ZINC000305081279 385194295 /nfs/dbraw/zinc/19/42/95/385194295.db2.gz UVFIZSJOKGKCJM-ZDUSSCGKSA-N 0 0 249.354 2.386 10 0 BEAERN CCCc1cc(NC(=O)c2ccco2)n[nH]1 ZINC000109911457 385196262 /nfs/dbraw/zinc/19/62/62/385196262.db2.gz JTEULRVGNCGYHT-UHFFFAOYSA-N 0 0 219.244 2.208 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C/C=C/Cl ZINC000177046323 385169278 /nfs/dbraw/zinc/16/92/78/385169278.db2.gz RVLOTABXNXMWCK-XCODYQFDSA-N 0 0 233.739 2.401 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@H]2CCCOC2)c1 ZINC000109548469 385173000 /nfs/dbraw/zinc/17/30/00/385173000.db2.gz LRSCIYZNNKSCGP-JTQLQIEISA-N 0 0 237.274 2.043 10 0 BEAERN Cc1cc(C(=O)N[C@H]2CCCOC2)ccc1F ZINC000109548506 385173497 /nfs/dbraw/zinc/17/34/97/385173497.db2.gz DKDJFRMTJCEULJ-NSHDSACASA-N 0 0 237.274 2.043 10 0 BEAERN CCC1CCC(NC(=O)c2ccnnc2)CC1 ZINC000129980628 385208243 /nfs/dbraw/zinc/20/82/43/385208243.db2.gz IRJRATQROJCCFB-UHFFFAOYSA-N 0 0 233.315 2.175 10 0 BEAERN C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000334748767 385210657 /nfs/dbraw/zinc/21/06/57/385210657.db2.gz YWCXJZOMTNQDOO-ZWNOBZJWSA-N 0 0 223.291 2.028 10 0 BEAERN O=C(CC1CCC1)OCc1cncs1 ZINC000130015393 385211363 /nfs/dbraw/zinc/21/13/63/385211363.db2.gz XJNQTHAZJWNACW-UHFFFAOYSA-N 0 0 211.286 2.377 10 0 BEAERN Nc1cccc(OCC2CCOCC2)c1 ZINC000052170992 385222800 /nfs/dbraw/zinc/22/28/00/385222800.db2.gz HVZQKDPASDKATD-UHFFFAOYSA-N 0 0 207.273 2.074 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000190219780 385223211 /nfs/dbraw/zinc/22/32/11/385223211.db2.gz RQGIMAVWROMVME-GXTWGEPZSA-N 0 0 247.338 2.460 10 0 BEAERN Nc1nnc(NCc2ccc(Cl)cc2)s1 ZINC000033413724 385231003 /nfs/dbraw/zinc/23/10/03/385231003.db2.gz XTBLFZDOENISPC-UHFFFAOYSA-N 0 0 240.719 2.386 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000068909726 385231182 /nfs/dbraw/zinc/23/11/82/385231182.db2.gz UOGWNDGGVLFNEC-RITPCOANSA-N 0 0 217.194 2.316 10 0 BEAERN Cn1cc(C2CCN(c3ccccn3)CC2)cn1 ZINC000110413423 385234488 /nfs/dbraw/zinc/23/44/88/385234488.db2.gz JLUADLVGULGERX-UHFFFAOYSA-N 0 0 242.326 2.199 10 0 BEAERN Cc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000190477736 385241591 /nfs/dbraw/zinc/24/15/91/385241591.db2.gz JWMKIUKZWCRYSJ-JSGCOSHPSA-N 0 0 247.338 2.426 10 0 BEAERN O[C@]12CCCC[C@@H]1CN(c1ccccn1)CC2 ZINC000128349942 385254891 /nfs/dbraw/zinc/25/48/91/385254891.db2.gz GEZYFZZSJHDVBT-OCCSQVGLSA-N 0 0 232.327 2.213 10 0 BEAERN Cc1ccc(OCCC(N)=S)c(C)c1 ZINC000005592777 385204887 /nfs/dbraw/zinc/20/48/87/385204887.db2.gz UXESKMUSLOQUQS-UHFFFAOYSA-N 0 0 209.314 2.358 10 0 BEAERN c1ccc(CSC2CCOCC2)nc1 ZINC000131050081 385305139 /nfs/dbraw/zinc/30/51/39/385305139.db2.gz RODGHXPUBFNZFQ-UHFFFAOYSA-N 0 0 209.314 2.494 10 0 BEAERN CC[C@H]1c2cccn2CCN1Cc1ncc[nH]1 ZINC000065403295 385306103 /nfs/dbraw/zinc/30/61/03/385306103.db2.gz HJSDORWIRXVNJD-NSHDSACASA-N 0 0 230.315 2.178 10 0 BEAERN C/C=C(\CC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000191711750 385318204 /nfs/dbraw/zinc/31/82/04/385318204.db2.gz TUKWUQSXRBEDOQ-QNCMIEPLSA-N 0 0 247.342 2.092 10 0 BEAERN Cc1c(=O)[nH]c(=S)[nH]c1Cc1ccccc1 ZINC000013742884 385266169 /nfs/dbraw/zinc/26/61/69/385266169.db2.gz LMYJDTWTSBWPEL-UHFFFAOYSA-N 0 0 232.308 2.332 10 0 BEAERN O=c1c2ccc[nH]c-2cn1Cc1ccccc1 ZINC000033992593 385272266 /nfs/dbraw/zinc/27/22/66/385272266.db2.gz VHOWSGWNMXNDIA-UHFFFAOYSA-N 0 0 224.263 2.238 10 0 BEAERN Cc1cccc(N[C@H](CO)c2ccco2)n1 ZINC000157787543 385282630 /nfs/dbraw/zinc/28/26/30/385282630.db2.gz LXGWCPBFDCEZMC-SNVBAGLBSA-N 0 0 218.256 2.129 10 0 BEAERN Brc1noc(C2CCSCC2)n1 ZINC000259338193 385283999 /nfs/dbraw/zinc/28/39/99/385283999.db2.gz KZHTTZWAUCYGFS-UHFFFAOYSA-N 0 0 249.133 2.443 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2COC(C)(C)C2)o1 ZINC000335353262 385298012 /nfs/dbraw/zinc/29/80/12/385298012.db2.gz CLOVLMKAZYNAIX-UWVGGRQHSA-N 0 0 224.304 2.201 10 0 BEAERN CCc1cc(N)nn1Cc1ccccc1 ZINC000054404791 385330086 /nfs/dbraw/zinc/33/00/86/385330086.db2.gz UYUXRLATAYRHHV-UHFFFAOYSA-N 0 0 201.273 2.076 10 0 BEAERN CCN(CCc1nccs1)C(=O)C1CCC1 ZINC000131569641 385343635 /nfs/dbraw/zinc/34/36/35/385343635.db2.gz BZVCNEAZTFTZOE-UHFFFAOYSA-N 0 0 238.356 2.334 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(F)c(C)c1 ZINC000131582608 385345232 /nfs/dbraw/zinc/34/52/32/385345232.db2.gz MQEVCJQDKROKOT-VIFPVBQESA-N 0 0 226.247 2.322 10 0 BEAERN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)N(C)C ZINC000178225140 385346261 /nfs/dbraw/zinc/34/62/61/385346261.db2.gz WHGRXYLCSMQRMD-JTQLQIEISA-N 0 0 234.299 2.264 10 0 BEAERN CCCc1cc(NC(=O)[C@@H](C)CC)n[nH]1 ZINC000109911792 385353913 /nfs/dbraw/zinc/35/39/13/385353913.db2.gz JUPSKTTUOPWYRX-QMMMGPOBSA-N 0 0 209.293 2.347 10 0 BEAERN Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccco2)cn1 ZINC000131809659 385362362 /nfs/dbraw/zinc/36/23/62/385362362.db2.gz PYPTVAFXOCTUOT-ZDUSSCGKSA-N 0 0 231.299 2.350 10 0 BEAERN O=C([O-])[C@@H]1CC[N@@H+]1[C@H](c1ccccc1)C1CC1 ZINC000016124836 385398091 /nfs/dbraw/zinc/39/80/91/385398091.db2.gz IGZBEONIJJAHDG-QWHCGFSZSA-N 0 0 231.295 2.297 10 0 BEAERN CC(C)(C)CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000301704878 385400373 /nfs/dbraw/zinc/40/03/73/385400373.db2.gz HROXVUBVPYJARW-NWDGAFQWSA-N 0 0 241.375 2.480 10 0 BEAERN O=C(C=CNCc1ccco1)C(F)(F)F ZINC000016158765 385403336 /nfs/dbraw/zinc/40/33/36/385403336.db2.gz XWOHWPQMGNIJMH-ARJAWSKDSA-N 0 0 219.162 2.014 10 0 BEAERN CCOCc1cc(CO)ccc1Br ZINC000165599050 385405255 /nfs/dbraw/zinc/40/52/55/385405255.db2.gz DRACVAYKMGGSPP-UHFFFAOYSA-N 0 0 245.116 2.478 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1cccc(F)c1F ZINC000295106576 385441903 /nfs/dbraw/zinc/44/19/03/385441903.db2.gz VPZNBLORDFUHOY-SKDRFNHKSA-N 0 0 241.281 2.310 10 0 BEAERN Cn1cnc2nc(Cl)cc(Cl)c21 ZINC000098179384 385427360 /nfs/dbraw/zinc/42/73/60/385427360.db2.gz ZDRSANSMVFLCEO-UHFFFAOYSA-N 0 0 202.044 2.275 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000408027349 385432541 /nfs/dbraw/zinc/43/25/41/385432541.db2.gz KOOJHNJVHOGPNA-WYUUTHIRSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000171064510 385466321 /nfs/dbraw/zinc/46/63/21/385466321.db2.gz BKPQFXFPLSOUFE-LDWIPMOCSA-N 0 0 211.211 2.103 10 0 BEAERN NC(=S)Cc1cccc(F)c1Br ZINC000156797961 385468998 /nfs/dbraw/zinc/46/89/98/385468998.db2.gz JEBDFNXGWMASMU-UHFFFAOYSA-N 0 0 248.120 2.417 10 0 BEAERN COC[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000171430723 385485429 /nfs/dbraw/zinc/48/54/29/385485429.db2.gz IVWNKUQETLRFBW-VXGBXAGGSA-N 0 0 235.327 2.489 10 0 BEAERN CC(C)C[N@@H+]1CCC[C@@H](CC(=O)[O-])CC1 ZINC000257652386 385486417 /nfs/dbraw/zinc/48/64/17/385486417.db2.gz GLPQAAHYEHEIDT-LLVKDONJSA-N 0 0 213.321 2.219 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1c(F)cccc1F ZINC000171458970 385487325 /nfs/dbraw/zinc/48/73/25/385487325.db2.gz PUJQGQHYOCQVDV-QMMMGPOBSA-N 0 0 243.253 2.210 10 0 BEAERN C[Si](C)(C)c1ccc(C(=O)CF)cc1 ZINC000195832538 385492427 /nfs/dbraw/zinc/49/24/27/385492427.db2.gz CMLJAFDAITYBCI-UHFFFAOYSA-N 0 0 210.324 2.384 10 0 BEAERN CC[C@@H](C)CN(C)Cc1nnc(C)n1C1CC1 ZINC000111253091 385497939 /nfs/dbraw/zinc/49/79/39/385497939.db2.gz DKJZKHNFHHGOHQ-SNVBAGLBSA-N 0 0 236.363 2.399 10 0 BEAERN COC(=O)c1cccc(C(=O)C2CC2)c1 ZINC000257822328 385499729 /nfs/dbraw/zinc/49/97/29/385499729.db2.gz DQJCEYGXMAUYGP-UHFFFAOYSA-N 0 0 204.225 2.066 10 0 BEAERN CCCc1cnc(NC(=O)[C@H](C)COC)s1 ZINC000180260906 385516287 /nfs/dbraw/zinc/51/62/87/385516287.db2.gz UIKMUMBNCNOVIG-MRVPVSSYSA-N 0 0 242.344 2.317 10 0 BEAERN Cc1cnc([C@@H](C)NCCOCC2CC2)o1 ZINC000336729315 385533118 /nfs/dbraw/zinc/53/31/18/385533118.db2.gz CZZHHXXCOOLLQR-SNVBAGLBSA-N 0 0 224.304 2.060 10 0 BEAERN Clc1nccc(-c2cnn3ccccc23)n1 ZINC000095643024 385545422 /nfs/dbraw/zinc/54/54/22/385545422.db2.gz XORCJJMEUVGUAW-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN Cc1c(N)cccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000157813108 385524918 /nfs/dbraw/zinc/52/49/18/385524918.db2.gz YPLLHIHMWZIZGQ-PRHODGIISA-N 0 0 234.299 2.083 10 0 BEAERN COc1c(C=O)cc(F)cc1SC ZINC000258026684 385528549 /nfs/dbraw/zinc/52/85/49/385528549.db2.gz OPQBGPSLMRVDIN-UHFFFAOYSA-N 0 0 200.234 2.369 10 0 BEAERN COC(=O)c1c(O)ccc(F)c1Br ZINC000259921265 385598432 /nfs/dbraw/zinc/59/84/32/385598432.db2.gz SYGZKOBTAIMIFJ-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN COC(=O)c1c(Cl)cc(C)cc1OC ZINC000259912626 385598517 /nfs/dbraw/zinc/59/85/17/385598517.db2.gz GBGXSUBFJKBKCZ-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CO[C@@H](C)Cn1c2ccccc2nc1[C@@H](C)O ZINC000181497173 385581155 /nfs/dbraw/zinc/58/11/55/385581155.db2.gz UUAPJAPYVSOKGP-VHSXEESVSA-N 0 0 234.299 2.125 10 0 BEAERN COc1ccc2c(c1)[C@@]1(C)CC(=O)[C@@H]1C2 ZINC000196456770 385583835 /nfs/dbraw/zinc/58/38/35/385583835.db2.gz AZYUAAQUVFMTSR-WCQYABFASA-N 0 0 202.253 2.098 10 0 BEAERN COc1ccc(Cn2nc(C)c(N)c2C)cc1F ZINC000036928397 385588595 /nfs/dbraw/zinc/58/85/95/385588595.db2.gz CUPVAQFPGFFAHE-UHFFFAOYSA-N 0 0 249.289 2.278 10 0 BEAERN Cc1ccc(C2N=NC(=S)N2)cc1F ZINC000036948355 385592469 /nfs/dbraw/zinc/59/24/69/385592469.db2.gz CEGAOWZTMAXKAH-UHFFFAOYSA-N 0 0 209.249 2.208 10 0 BEAERN C[C@]12CCCN1C(=O)N(c1cccc(F)c1)C2=O ZINC000181937258 385621511 /nfs/dbraw/zinc/62/15/11/385621511.db2.gz FJMWAENUSHOTDL-CYBMUJFWSA-N 0 0 248.257 2.147 10 0 BEAERN CC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197703 385608632 /nfs/dbraw/zinc/60/86/32/385608632.db2.gz JLZYPWPULJMKOW-VHSXEESVSA-N 0 0 238.335 2.083 10 0 BEAERN COC(=O)c1cc(C)cc(OC)c1Cl ZINC000260046117 385658245 /nfs/dbraw/zinc/65/82/45/385658245.db2.gz KZTZHEQZPMDLOZ-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN COC(=O)Cc1c(Cl)cc(O)cc1Cl ZINC000260066245 385662488 /nfs/dbraw/zinc/66/24/88/385662488.db2.gz PPCDZLMJJZWARH-UHFFFAOYSA-N 0 0 235.066 2.415 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ncc(Br)cc1N ZINC000052274546 385718764 /nfs/dbraw/zinc/71/87/64/385718764.db2.gz DAIQWRLYOHCXFD-SVGQVSJJSA-N 0 0 242.120 2.247 10 0 BEAERN Cc1ccnc(NCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000281826231 385705468 /nfs/dbraw/zinc/70/54/68/385705468.db2.gz KHLCVYNZUOUDNV-QWRGUYRKSA-N 0 0 235.331 2.401 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N1CC[C@@H](CCO)C1 ZINC000336653828 385715542 /nfs/dbraw/zinc/71/55/42/385715542.db2.gz GOVLMWQGBCHMSY-NSHDSACASA-N 0 0 241.375 2.290 10 0 BEAERN Cn1ncc(C(F)(F)F)c1Br ZINC000221817582 385716120 /nfs/dbraw/zinc/71/61/20/385716120.db2.gz ZOCNGCZWIOOWRP-UHFFFAOYSA-N 0 0 228.999 2.201 10 0 BEAERN Cc1ccc(CSC[C@H](O)CO)c(Cl)c1 ZINC000235784638 259675258 /nfs/dbraw/zinc/67/52/58/259675258.db2.gz BDKITLWAPBZUIQ-SNVBAGLBSA-N 0 0 246.759 2.235 10 0 BEAERN Cc1cnc([C@H](C)N[C@H](C)COC(C)C)o1 ZINC000336737472 385768529 /nfs/dbraw/zinc/76/85/29/385768529.db2.gz JKUVPPAHKFYRJL-KOLCDFICSA-N 0 0 226.320 2.447 10 0 BEAERN CCC[C@@]1(C)Nc2ccccc2C(=O)N1 ZINC000062716759 385776600 /nfs/dbraw/zinc/77/66/00/385776600.db2.gz BGMXSMAJEIIENP-LBPRGKRZSA-N 0 0 204.273 2.358 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccnc(F)c1F ZINC000231121413 385782998 /nfs/dbraw/zinc/78/29/98/385782998.db2.gz FZRUFYMPTDDGIK-IONNQARKSA-N 0 0 240.253 2.278 10 0 BEAERN COC(=O)c1sc(N[C@H]2C[C@H]2C)nc1Cl ZINC000052297896 385722601 /nfs/dbraw/zinc/72/26/01/385722601.db2.gz DBRGLMIPBIVRCF-UHNVWZDZSA-N 0 0 246.719 2.403 10 0 BEAERN C[C@@H](CO)Sc1ncc2ccsc2n1 ZINC000307314163 385849461 /nfs/dbraw/zinc/84/94/61/385849461.db2.gz UXMLYWWYCAYGTE-LURJTMIESA-N 0 0 226.326 2.164 10 0 BEAERN CCOC(=O)c1ccc(C)c(F)c1OC ZINC000260266755 385789613 /nfs/dbraw/zinc/78/96/13/385789613.db2.gz VAOMBTNJLXWBFE-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN O=C([O-])C[N@@H+]1CCC2(C1)CCCCCC2 ZINC000309688816 385792514 /nfs/dbraw/zinc/79/25/14/385792514.db2.gz OYMUIDFTRMHDRC-UHFFFAOYSA-N 0 0 211.305 2.117 10 0 BEAERN C[C@H]1CC[C@H](Nc2cnns2)CS1 ZINC000575534885 385895589 /nfs/dbraw/zinc/89/55/89/385895589.db2.gz NTNVNYKBDXHJQD-BQBZGAKWSA-N 0 0 215.347 2.234 10 0 BEAERN CCOC(=O)c1cc(N)c(O)cc1C(F)(F)F ZINC000260584854 385908434 /nfs/dbraw/zinc/90/84/34/385908434.db2.gz PVVAQBCMCWRYDC-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Cc1c(F)c(Br)ccc1NN ZINC000575535992 385910524 /nfs/dbraw/zinc/91/05/24/385910524.db2.gz DLEQBUSFOWZBFJ-UHFFFAOYSA-N 0 0 219.057 2.182 10 0 BEAERN Cc1nc(C)c(F)c(NCCSC(C)C)n1 ZINC000336741969 385916864 /nfs/dbraw/zinc/91/68/64/385916864.db2.gz NUCSGTDKIUCXBS-UHFFFAOYSA-N 0 0 243.351 2.208 10 0 BEAERN CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000070249917 385862095 /nfs/dbraw/zinc/86/20/95/385862095.db2.gz XVXCFRGPLFBMEH-UHFFFAOYSA-N 0 0 239.143 2.084 10 0 BEAERN CCCc1noc(C[C@H](C)SC)n1 ZINC000308331286 385870446 /nfs/dbraw/zinc/87/04/46/385870446.db2.gz IVYSZYKTMVMEQN-ZETCQYMHSA-N 0 0 200.307 2.316 10 0 BEAERN CCc1cc(C)c(C(=O)NC[C@](C)(O)CC)o1 ZINC000127921235 385947022 /nfs/dbraw/zinc/94/70/22/385947022.db2.gz HXSWXWZSBWHTBQ-CYBMUJFWSA-N 0 0 239.315 2.041 10 0 BEAERN CCOC(=O)c1cc(OC)cc(F)c1F ZINC000261035552 386005132 /nfs/dbraw/zinc/00/51/32/386005132.db2.gz BPYKNYGYKNOQOG-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN CCOC(=O)Cc1cc(F)c(Cl)cc1O ZINC000261209972 386014461 /nfs/dbraw/zinc/01/44/61/386014461.db2.gz HIQPEUXASHPDHJ-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN Cc1ccc(Nc2nc(N)n[nH]2)cc1Cl ZINC000072416789 386036728 /nfs/dbraw/zinc/03/67/28/386036728.db2.gz FYJRJWINKJEOAS-UHFFFAOYSA-N 0 0 223.667 2.092 10 0 BEAERN CCOc1ccccc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286693059 386065839 /nfs/dbraw/zinc/06/58/39/386065839.db2.gz VYQKUVSMIQQDCG-ZIAGYGMSSA-N 0 0 249.354 2.431 10 0 BEAERN C[C@@]1(O)CCC[C@@H]1NOCc1ccccc1 ZINC000307715540 386070761 /nfs/dbraw/zinc/07/07/61/386070761.db2.gz HXMMZNXCDQZFRK-QWHCGFSZSA-N 0 0 221.300 2.011 10 0 BEAERN C[C@@]1(O)CCC[C@H]1NOCc1ccccc1 ZINC000307715538 386070966 /nfs/dbraw/zinc/07/09/66/386070966.db2.gz HXMMZNXCDQZFRK-CHWSQXEVSA-N 0 0 221.300 2.011 10 0 BEAERN O=C(c1cccc(O)c1)N1C[C@H]2CCC[C@H]21 ZINC000334446235 386081669 /nfs/dbraw/zinc/08/16/69/386081669.db2.gz PFRBWTMCTSMELV-ZYHUDNBSSA-N 0 0 217.268 2.017 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccon1 ZINC000408336745 386124808 /nfs/dbraw/zinc/12/48/08/386124808.db2.gz PSKFJRMYLCKESO-JGVFFNPUSA-N 0 0 244.241 2.287 10 0 BEAERN C[C@H]1C[C@]1(C)Nc1ccncc1Br ZINC000575580875 386230744 /nfs/dbraw/zinc/23/07/44/386230744.db2.gz ZKHURPLKSRYMSB-XVKPBYJWSA-N 0 0 241.132 2.476 10 0 BEAERN O=C(c1ccc(F)c(Cl)c1)N1CCCO1 ZINC000125397308 386251032 /nfs/dbraw/zinc/25/10/32/386251032.db2.gz QORDNHXOLPXPNV-UHFFFAOYSA-N 0 0 229.638 2.257 10 0 BEAERN O=C(c1cccc(F)c1Cl)N1CCCO1 ZINC000125457485 386258989 /nfs/dbraw/zinc/25/89/89/386258989.db2.gz VFRIMBMCCFHNBH-UHFFFAOYSA-N 0 0 229.638 2.257 10 0 BEAERN Cc1nc([C@](C)(N)C(F)F)sc1C ZINC000575590251 386323966 /nfs/dbraw/zinc/32/39/66/386323966.db2.gz OPNOCCWIYNASMS-MRVPVSSYSA-N 0 0 206.261 2.199 10 0 BEAERN CC(C)c1noc(N[C@H](CO)c2ccccc2)n1 ZINC000265867101 386381241 /nfs/dbraw/zinc/38/12/41/386381241.db2.gz YPQGFHNWWWRLFF-LLVKDONJSA-N 0 0 247.298 2.339 10 0 BEAERN COCc1ccc(C(=O)N[C@@H]2C=CCCC2)o1 ZINC000134748262 386440840 /nfs/dbraw/zinc/44/08/40/386440840.db2.gz WMRKPUCAFKOEGV-SNVBAGLBSA-N 0 0 235.283 2.265 10 0 BEAERN Cn1c(Cl)ncc1[C@@H](O)C(C)(C)C ZINC000575599692 386398837 /nfs/dbraw/zinc/39/88/37/386398837.db2.gz SXAULMBVPVLBLZ-SSDOTTSWSA-N 0 0 202.685 2.153 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000399284419 386481680 /nfs/dbraw/zinc/48/16/80/386481680.db2.gz ZOTFWCXVZFLEKN-JQWIXIFHSA-N 0 0 234.299 2.064 10 0 BEAERN Cc1cccc(CNc2nccc(C)n2)n1 ZINC000061859449 386494281 /nfs/dbraw/zinc/49/42/81/386494281.db2.gz LZXQBYMCHMJDMU-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN Clc1c(Br)cnc2c1NCCN2 ZINC000299889991 386498281 /nfs/dbraw/zinc/49/82/81/386498281.db2.gz SBKKCYMIPRTBSL-UHFFFAOYSA-N 0 0 248.511 2.335 10 0 BEAERN CN(C)c1cccc(Br)c1N ZINC000299890104 386498467 /nfs/dbraw/zinc/49/84/67/386498467.db2.gz UIIJEKUOYNZBMP-UHFFFAOYSA-N 0 0 215.094 2.097 10 0 BEAERN Nc1nc2nc3ccccc3cc2s1 ZINC000238596492 386509704 /nfs/dbraw/zinc/50/97/04/386509704.db2.gz CSUHMENNNJAASL-UHFFFAOYSA-N 0 0 201.254 2.427 10 0 BEAERN CC(C)[C@@H]1CCN(C(=O)Cc2ccccc2N)C1 ZINC000135422374 386510590 /nfs/dbraw/zinc/51/05/90/386510590.db2.gz FIYLVOBQFZOJGV-CYBMUJFWSA-N 0 0 246.354 2.316 10 0 BEAERN C[C@H](CC(=O)NCCc1ncc[nH]1)C(C)(C)C ZINC000135489573 386515585 /nfs/dbraw/zinc/51/55/85/386515585.db2.gz QEPGZTISPGBCRE-SNVBAGLBSA-N 0 0 237.347 2.141 10 0 BEAERN CCC[C@@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521401759 386463807 /nfs/dbraw/zinc/46/38/07/386463807.db2.gz NXEGKEJMJYQCQK-RNFRBKRXSA-N 0 0 227.226 2.157 10 0 BEAERN N#Cc1ccc(C=O)c(F)c1OC(F)F ZINC000575641957 386575081 /nfs/dbraw/zinc/57/50/81/386575081.db2.gz ZOJVYXRLMNYINN-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000103387336 386578192 /nfs/dbraw/zinc/57/81/92/386578192.db2.gz QRFQEONTFSMRQO-SCZZXKLOSA-N 0 0 239.315 2.356 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ccc2nnc(C)n2n1 ZINC000267746602 386580195 /nfs/dbraw/zinc/58/01/95/386580195.db2.gz XHQXEAPAPZWCRU-VHSXEESVSA-N 0 0 231.303 2.033 10 0 BEAERN CCOc1cc(C#N)c(F)cc1C(C)=O ZINC000575643175 386580550 /nfs/dbraw/zinc/58/05/50/386580550.db2.gz NRZVXOQRBJYGMD-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(C#N)cc(C(C)=O)c1OC ZINC000575644282 386585094 /nfs/dbraw/zinc/58/50/94/386585094.db2.gz BLUQYGWRFBKTOX-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000238830455 386534982 /nfs/dbraw/zinc/53/49/82/386534982.db2.gz FUEDIZLDOFYUPY-NSHDSACASA-N 0 0 248.326 2.107 10 0 BEAERN CC(C)CC(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238871254 386539413 /nfs/dbraw/zinc/53/94/13/386539413.db2.gz MYRGBVJTGPPHES-GFCCVEGCSA-N 0 0 248.326 2.107 10 0 BEAERN COC(=O)Cc1c(N)ccc(C(F)(F)F)c1C ZINC000575639782 386560421 /nfs/dbraw/zinc/56/04/21/386560421.db2.gz KFOQSOMDQDOQKC-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COc1ccc(C(C)=O)c(OC(F)F)c1C#N ZINC000575639827 386562887 /nfs/dbraw/zinc/56/28/87/386562887.db2.gz JUTCCJASFRTOJZ-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(C#N)c(F)cc1OC(F)F ZINC000575640215 386567545 /nfs/dbraw/zinc/56/75/45/386567545.db2.gz MICOOOBRHLFWGZ-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)CCc1ccc(Cl)c(N)c1 ZINC000097758654 386569717 /nfs/dbraw/zinc/56/97/17/386569717.db2.gz PUXJIEUFDFZLQY-UHFFFAOYSA-N 0 0 213.664 2.028 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CSc2ccccc21 ZINC000246455181 386655752 /nfs/dbraw/zinc/65/57/52/386655752.db2.gz VUBOLNLVMSZRKP-MIMYLULJSA-N 0 0 233.336 2.401 10 0 BEAERN CSCCCC(=O)N[C@H](C)C(C)C ZINC000336646503 386635528 /nfs/dbraw/zinc/63/55/28/386635528.db2.gz CIRAFDFFGGZHFA-SECBINFHSA-N 0 0 203.351 2.290 10 0 BEAERN CC[N@@H+](Cc1c(C)nn(C)c1OC)CC(C)C ZINC000179301970 386635644 /nfs/dbraw/zinc/63/56/44/386635644.db2.gz LBOJYIGFCFAMKF-UHFFFAOYSA-N 0 0 239.363 2.215 10 0 BEAERN CC(C)CNC(=O)[C@@H]1CCCC1(F)F ZINC000307416511 386648657 /nfs/dbraw/zinc/64/86/57/386648657.db2.gz KLGWXJUUWUJUPK-QMMMGPOBSA-N 0 0 205.248 2.194 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000293044666 386653166 /nfs/dbraw/zinc/65/31/66/386653166.db2.gz KZZNGWLJYOOFQG-NXEZZACHSA-N 0 0 235.331 2.363 10 0 BEAERN Cc1n[nH]c(C)c1CNc1ccnc(C2CC2)n1 ZINC000301260124 386654657 /nfs/dbraw/zinc/65/46/57/386654657.db2.gz UUCCQEHMIMZXCJ-UHFFFAOYSA-N 0 0 243.314 2.306 10 0 BEAERN CCCn1nccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329472536 386680362 /nfs/dbraw/zinc/68/03/62/386680362.db2.gz ZMOZWTDZDKUNEY-MNOVXSKESA-N 0 0 248.330 2.309 10 0 BEAERN CCOC(=O)c1cccc(N)c1OC(F)(F)F ZINC000575339111 386685653 /nfs/dbraw/zinc/68/56/53/386685653.db2.gz NIJFYOQBCIKCJB-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(NC)nc1 ZINC000233395152 386708040 /nfs/dbraw/zinc/70/80/40/386708040.db2.gz IYFWNKIJUVQDQJ-ONGXEEELSA-N 0 0 233.315 2.042 10 0 BEAERN CCN(C)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000122071831 386736242 /nfs/dbraw/zinc/73/62/42/386736242.db2.gz RGTONNQIDVNIKA-RYUDHWBXSA-N 0 0 218.300 2.204 10 0 BEAERN COc1ccc(C(=O)C(C)(C)OC(C)=O)cc1 ZINC000575358415 386737513 /nfs/dbraw/zinc/73/75/13/386737513.db2.gz MIXHDOMUXBRDOD-UHFFFAOYSA-N 0 0 236.267 2.220 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccc2c(c1)CCO2 ZINC000575358412 386737892 /nfs/dbraw/zinc/73/78/92/386737892.db2.gz SXYDWDYEVFSMFD-UHFFFAOYSA-N 0 0 248.278 2.146 10 0 BEAERN O=C(c1cn[nH]c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114437916 386748553 /nfs/dbraw/zinc/74/85/53/386748553.db2.gz AKCXJIKSHLANIA-AWEZNQCLSA-N 0 0 245.326 2.372 10 0 BEAERN COc1c(N)ccc(F)c1OC(F)(F)F ZINC000396104152 386748873 /nfs/dbraw/zinc/74/88/73/386748873.db2.gz LXTGQUTXKGKYTE-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CC(C)(O)C(C)(C)Nc1nsnc1Cl ZINC000229243373 386754973 /nfs/dbraw/zinc/75/49/73/386754973.db2.gz FZQCAMBTOHRZLZ-UHFFFAOYSA-N 0 0 235.740 2.153 10 0 BEAERN CC(=O)OCC(=O)c1ccccc1C(F)(F)F ZINC000575359180 386760858 /nfs/dbraw/zinc/76/08/58/386760858.db2.gz WTESAJWDPXFDML-UHFFFAOYSA-N 0 0 246.184 2.451 10 0 BEAERN C[C@H](NC(=O)c1ccoc1Cl)[C@@H]1CCCO1 ZINC000192393391 386761412 /nfs/dbraw/zinc/76/14/12/386761412.db2.gz RVTGOVAYYHAVIC-CBAPKCEASA-N 0 0 243.690 2.230 10 0 BEAERN O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)NC1CC1 ZINC000114493785 386791154 /nfs/dbraw/zinc/79/11/54/386791154.db2.gz IYBQYYDOLWUIEP-OAHLLOKOSA-N 0 0 248.370 2.087 10 0 BEAERN COc1ccc(CNC(=O)CCSC)cc1 ZINC000035898519 386816393 /nfs/dbraw/zinc/81/63/93/386816393.db2.gz ZBQWECDFXJGGDT-UHFFFAOYSA-N 0 0 239.340 2.065 10 0 BEAERN O=C(c1cc(Cl)ccc1F)N1CCCO1 ZINC000125331721 386797760 /nfs/dbraw/zinc/79/77/60/386797760.db2.gz RYGSDXKMDNEUJB-UHFFFAOYSA-N 0 0 229.638 2.257 10 0 BEAERN COC(=O)Cc1cc(OC(F)(F)F)ncc1C ZINC000575375198 386800029 /nfs/dbraw/zinc/80/00/29/386800029.db2.gz XGVJJVHMRWRWJG-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CC1(C)CCCCN(c2ccnc(C(N)=O)c2)C1 ZINC000408445738 386806558 /nfs/dbraw/zinc/80/65/58/386806558.db2.gz ZKTVHQVSMHSMED-UHFFFAOYSA-N 0 0 247.342 2.197 10 0 BEAERN COC(=O)c1cccc(OC(C)C)c1C#N ZINC000393628678 386830869 /nfs/dbraw/zinc/83/08/69/386830869.db2.gz DAEOZQPHSSJLJX-UHFFFAOYSA-N 0 0 219.240 2.132 10 0 BEAERN Cc1cc(C(=O)CN2C[C@H]3CCC[C@H]32)c(C)[nH]1 ZINC000334780863 386834755 /nfs/dbraw/zinc/83/47/55/386834755.db2.gz CPMNPDBXUZCGFC-DGCLKSJQSA-N 0 0 232.327 2.299 10 0 BEAERN CCO[C@H](C)c1noc(CN2CC[C@@H]2CC)n1 ZINC000330286518 386846735 /nfs/dbraw/zinc/84/67/35/386846735.db2.gz ZXYOBJNHQZBKEK-ZJUUUORDSA-N 0 0 239.319 2.151 10 0 BEAERN C/C=C(/C[C@H](CC(C)C)C(=O)OC)C(=O)OC ZINC000035994243 386857729 /nfs/dbraw/zinc/85/77/29/386857729.db2.gz WORNTPWCJVLNDD-YAEJEKNGSA-N 0 0 242.315 2.331 10 0 BEAERN Cc1nocc1CN[C@H]1COc2ccccc21 ZINC000293673498 386858089 /nfs/dbraw/zinc/85/80/89/386858089.db2.gz UYHNFUVFRNUPTB-LBPRGKRZSA-N 0 0 230.267 2.206 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)cc(Cl)n1 ZINC000125789560 386915836 /nfs/dbraw/zinc/91/58/36/386915836.db2.gz PWMBTFXTXMFJOI-IMTBSYHQSA-N 0 0 224.691 2.182 10 0 BEAERN COC(=O)c1ccc(CNc2cccc(C)n2)o1 ZINC000301996140 386895977 /nfs/dbraw/zinc/89/59/77/386895977.db2.gz HNGQXWMENSXWHY-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN C[C@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)CCS1 ZINC000335760624 386897948 /nfs/dbraw/zinc/89/79/48/386897948.db2.gz HJOAXGVGNWJFJE-IUCAKERBSA-N 0 0 249.326 2.386 10 0 BEAERN Cc1cnc(N[C@H]2CCCC[C@H]2O)s1 ZINC000302080211 386901858 /nfs/dbraw/zinc/90/18/58/386901858.db2.gz BOIBZNBLNMCJNM-DTWKUNHWSA-N 0 0 212.318 2.167 10 0 BEAERN CCS(=O)(=O)c1ccc(N[C@H]2C[C@@H]2C)cc1 ZINC000052291022 386905778 /nfs/dbraw/zinc/90/57/78/386905778.db2.gz ZWDXEVHMVOKWFM-CABZTGNLSA-N 0 0 239.340 2.301 10 0 BEAERN O=C([C@H]1CCCO1)N1CCC[C@@H]1c1ccco1 ZINC000116043609 386911503 /nfs/dbraw/zinc/91/15/03/386911503.db2.gz OLUWVXWIXGCDBU-ZYHUDNBSSA-N 0 0 235.283 2.122 10 0 BEAERN CCO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041772 386911786 /nfs/dbraw/zinc/91/17/86/386911786.db2.gz PVYAXYCTRCQXCD-WDEREUQCSA-N 0 0 237.299 2.368 10 0 BEAERN Cc1nc(CN(C)c2ccnc(Cl)c2)no1 ZINC000302201756 386913367 /nfs/dbraw/zinc/91/33/67/386913367.db2.gz VMKHIZQERIUJIP-UHFFFAOYSA-N 0 0 238.678 2.063 10 0 BEAERN O=C(c1csnn1)N1CCC[C@@H]1c1ccco1 ZINC000116211508 386928642 /nfs/dbraw/zinc/92/86/42/386928642.db2.gz LVJNPFNXTPWHLM-SECBINFHSA-N 0 0 249.295 2.108 10 0 BEAERN Cc1cnc(N[C@H]2CCC[C@H](O)C2)s1 ZINC000302822695 386939664 /nfs/dbraw/zinc/93/96/64/386939664.db2.gz FEWFTQZXGZUTEK-IUCAKERBSA-N 0 0 212.318 2.167 10 0 BEAERN CO[C@H](C)c1cccc(N[C@H]2CCN(C)C2=O)c1 ZINC000116391491 386944185 /nfs/dbraw/zinc/94/41/85/386944185.db2.gz OVEDPFDBQDXXLN-MFKMUULPSA-N 0 0 248.326 2.037 10 0 BEAERN CO[C@@H](C)c1cccc(N[C@@H]2CCN(C)C2=O)c1 ZINC000116391481 386944195 /nfs/dbraw/zinc/94/41/95/386944195.db2.gz OVEDPFDBQDXXLN-GXFFZTMASA-N 0 0 248.326 2.037 10 0 BEAERN O=Cc1ccnc(OC(F)F)c1Cl ZINC000307633755 386961192 /nfs/dbraw/zinc/96/11/92/386961192.db2.gz OMQMJJWDCBRNQW-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN CCCCC[C@H](C)NC(=O)[C@H]1CC(F)(F)CN1 ZINC000368486174 386978184 /nfs/dbraw/zinc/97/81/84/386978184.db2.gz MCIGLPQTWLTCQC-VHSXEESVSA-N 0 0 248.317 2.069 10 0 BEAERN CCCCC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)CN1 ZINC000368486175 386979103 /nfs/dbraw/zinc/97/91/03/386979103.db2.gz MCIGLPQTWLTCQC-ZJUUUORDSA-N 0 0 248.317 2.069 10 0 BEAERN COC[C@@H](C)Nc1ccc(F)cc1F ZINC000053172283 386985548 /nfs/dbraw/zinc/98/55/48/386985548.db2.gz MEYYTGZEZUZCPP-SSDOTTSWSA-N 0 0 201.216 2.412 10 0 BEAERN c1c[nH]c([C@@H]2CCOc3ccccc32)n1 ZINC000114549057 386993895 /nfs/dbraw/zinc/99/38/95/386993895.db2.gz KWVOBFORBZSISP-SNVBAGLBSA-N 0 0 200.241 2.324 10 0 BEAERN CCOC(=O)c1cc(OC)cnc1C(F)(F)F ZINC000575397502 386999896 /nfs/dbraw/zinc/99/98/96/386999896.db2.gz YZYCFHUVFHFNPM-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN [NH3+][C@@H](C(=O)[O-])c1cc2cscc2s1 ZINC000575457739 387030653 /nfs/dbraw/zinc/03/06/53/387030653.db2.gz UZAACRSEGUHFSP-SSDOTTSWSA-N 0 0 213.283 2.047 10 0 BEAERN Nc1cc(Cl)c(C=O)cc1Br ZINC000575419771 387030775 /nfs/dbraw/zinc/03/07/75/387030775.db2.gz NIFFUVSSCCUSGW-UHFFFAOYSA-N 0 0 234.480 2.497 10 0 BEAERN Clc1cncc([C@H]2NCCS2)c1 ZINC000575461627 387032410 /nfs/dbraw/zinc/03/24/10/387032410.db2.gz VKTNLGZZCZVXAM-QMMMGPOBSA-N 0 0 200.694 2.070 10 0 BEAERN Cc1nn(C(C)(C)C)c(=O)n1[C@H]1CC[C@@H](C)C1 ZINC000334955412 387034648 /nfs/dbraw/zinc/03/46/48/387034648.db2.gz GYQRABUUQPZPTN-KOLCDFICSA-N 0 0 237.347 2.469 10 0 BEAERN CCOc1cc(CO)cc(OC(F)F)c1F ZINC000575655003 387037423 /nfs/dbraw/zinc/03/74/23/387037423.db2.gz GPRCYKKLTJGKNM-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCc1ccc(CO)c(OC(F)F)c1OC ZINC000575656000 387037510 /nfs/dbraw/zinc/03/75/10/387037510.db2.gz CXWPQBZPVPMCTO-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCOc1cc(OC(F)F)cc(C=O)c1O ZINC000575655203 387038171 /nfs/dbraw/zinc/03/81/71/387038171.db2.gz AMBSPBYJNZZHDK-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCCc1nc(F)cc(Br)n1 ZINC000575460869 387038279 /nfs/dbraw/zinc/03/82/79/387038279.db2.gz DEJQKOPPSAIVMK-UHFFFAOYSA-N 0 0 219.057 2.331 10 0 BEAERN CCOc1cc(C=O)c(OC(F)F)cc1O ZINC000575655196 387038296 /nfs/dbraw/zinc/03/82/96/387038296.db2.gz ACECENTYUKBNBZ-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1c(O)cc(OC(F)F)cc1C=O ZINC000575655193 387038373 /nfs/dbraw/zinc/03/83/73/387038373.db2.gz ABJPMJUNEXDRDD-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1c(O)cc(OC)cc1OC(F)F ZINC000575655716 387040002 /nfs/dbraw/zinc/04/00/02/387040002.db2.gz HSNWOLXMGPRDOQ-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1cc(OC(F)F)cc(OC)c1O ZINC000575655358 387040247 /nfs/dbraw/zinc/04/02/47/387040247.db2.gz CYMKXSXJVQQTAK-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN O=C(Nc1cccc(F)c1O)C(F)(F)F ZINC000575578469 387043857 /nfs/dbraw/zinc/04/38/57/387043857.db2.gz VCMAHFDMKHEAQK-UHFFFAOYSA-N 0 0 223.125 2.032 10 0 BEAERN CCOc1ccc(OC)c(CO)c1OC(F)F ZINC000575658131 387045242 /nfs/dbraw/zinc/04/52/42/387045242.db2.gz QAYZVPXKAVYWBW-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN Cc1oc2ncnc(NC(=O)C3CC3)c2c1C ZINC000118200517 387047877 /nfs/dbraw/zinc/04/78/77/387047877.db2.gz MMBHPIBPRHMCJZ-UHFFFAOYSA-N 0 0 231.255 2.188 10 0 BEAERN CCOc1ccc(OC)c(OC(F)F)c1CO ZINC000575658981 387049464 /nfs/dbraw/zinc/04/94/64/387049464.db2.gz YFVMUFNSBWMZJE-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN C[C@H]1C[C@@]1(C)Nc1ncc(Br)cn1 ZINC000575580822 387049758 /nfs/dbraw/zinc/04/97/58/387049758.db2.gz XOLSWNJFXXPGPL-IMTBSYHQSA-N 0 0 242.120 2.450 10 0 BEAERN COc1cc(OC(F)F)cc(F)c1C=O ZINC000575659745 387052693 /nfs/dbraw/zinc/05/26/93/387052693.db2.gz KHOPAABSHRLAFQ-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN Cc1cccc(C=O)c1I ZINC000096895547 387053054 /nfs/dbraw/zinc/05/30/54/387053054.db2.gz QPABLNRXTZXEIQ-UHFFFAOYSA-N 0 0 246.047 2.412 10 0 BEAERN CC(=O)c1[nH]cc(Br)c1C ZINC000575432075 387057151 /nfs/dbraw/zinc/05/71/51/387057151.db2.gz BVJCJIYBIMPTAX-UHFFFAOYSA-N 0 0 202.051 2.288 10 0 BEAERN CO[C@@H](c1noc([C@@H]2CC[C@H](C)O2)n1)C1CC1 ZINC000333845051 387058263 /nfs/dbraw/zinc/05/82/63/387058263.db2.gz ODDWSSUUENYCGC-UJNFCWOMSA-N 0 0 238.287 2.407 10 0 BEAERN c1cnn(CCCNc2ccnc(C3CC3)n2)c1 ZINC000110128817 387059836 /nfs/dbraw/zinc/05/98/36/387059836.db2.gz ASFPAZAJMGESCL-UHFFFAOYSA-N 0 0 243.314 2.053 10 0 BEAERN CC(C)[C@@H](C)N1C(=O)NC2(CCCCC2)C1=O ZINC000334976715 387063076 /nfs/dbraw/zinc/06/30/76/387063076.db2.gz HWJFPNZXYVQFHP-SNVBAGLBSA-N 0 0 238.331 2.286 10 0 BEAERN C[C@](N)(c1cccs1)c1ccns1 ZINC000575576224 387023196 /nfs/dbraw/zinc/02/31/96/387023196.db2.gz LJQKFCHIJNUIIS-VIFPVBQESA-N 0 0 210.327 2.427 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CC1CC1 ZINC000117619501 387024815 /nfs/dbraw/zinc/02/48/15/387024815.db2.gz PXNDPVUVBVAFQF-IINYFYTJSA-N 0 0 245.322 2.420 10 0 BEAERN CC(C)N(C)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117591630 387025182 /nfs/dbraw/zinc/02/51/82/387025182.db2.gz SUWQQSAUGUTCNN-GXFFZTMASA-N 0 0 233.311 2.418 10 0 BEAERN O=C1C[C@@H](c2ccsc2Br)N1 ZINC000575454551 387025801 /nfs/dbraw/zinc/02/58/01/387025801.db2.gz TXJQXHHUZLPQKD-YFKPBYRVSA-N 0 0 232.102 2.072 10 0 BEAERN Cc1ccc([C@@H](C)N[C@@H](C)c2nnc(C)[nH]2)o1 ZINC000392423359 387078452 /nfs/dbraw/zinc/07/84/52/387078452.db2.gz SMTYFGXPQGALAR-BDAKNGLRSA-N 0 0 234.303 2.426 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1Cc1nnc(C2CC2)n1C ZINC000066531670 387086778 /nfs/dbraw/zinc/08/67/78/387086778.db2.gz YGXGBRLVOZQMSS-PHIMTYICSA-N 0 0 248.374 2.455 10 0 BEAERN N[C@H](c1cncs1)c1ccoc1Cl ZINC000575469297 387088958 /nfs/dbraw/zinc/08/89/58/387088958.db2.gz CWYMJHFQESBZKR-ZETCQYMHSA-N 0 0 214.677 2.438 10 0 BEAERN O=C(C1CCCCCC1)N1CC[C@@H](CCO)C1 ZINC000127030031 387092408 /nfs/dbraw/zinc/09/24/08/387092408.db2.gz DZNJGEQUDPWQFC-LBPRGKRZSA-N 0 0 239.359 2.188 10 0 BEAERN CCCC(CCC)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000228453865 387093010 /nfs/dbraw/zinc/09/30/10/387093010.db2.gz FSJFLUUTDRGHKB-STQMWFEESA-N 0 0 241.375 2.480 10 0 BEAERN Cn1ncc(NCC2CC2)c1Br ZINC000575468866 387094520 /nfs/dbraw/zinc/09/45/20/387094520.db2.gz VOWKAKGIGWONMF-UHFFFAOYSA-N 0 0 230.109 2.005 10 0 BEAERN CCOC(=O)c1cn2cc(Cl)cc(F)c2n1 ZINC000575436057 387097929 /nfs/dbraw/zinc/09/79/29/387097929.db2.gz AXMBDFDZUNBFPD-UHFFFAOYSA-N 0 0 242.637 2.304 10 0 BEAERN C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCn2ncnc21 ZINC000186377370 387099125 /nfs/dbraw/zinc/09/91/25/387099125.db2.gz DYWUREGEHBOSSL-CMPLNLGQSA-N 0 0 234.347 2.281 10 0 BEAERN C[C@@H](CCC1CC1)[NH2+][C@H]1CCCn2ncnc21 ZINC000186377404 387099156 /nfs/dbraw/zinc/09/91/56/387099156.db2.gz DYWUREGEHBOSSL-JQWIXIFHSA-N 0 0 234.347 2.281 10 0 BEAERN [NH3+][C@@H](CC(F)F)c1ccccc1C(=O)[O-] ZINC000575437658 387109444 /nfs/dbraw/zinc/10/94/44/387109444.db2.gz MOGGKCUTEQBKKA-QMMMGPOBSA-N 0 0 215.199 2.040 10 0 BEAERN CN(N)c1nc(Cl)c(Cl)cc1Cl ZINC000575469983 387110358 /nfs/dbraw/zinc/11/03/58/387110358.db2.gz JFSWIHIHWLZILQ-UHFFFAOYSA-N 0 0 226.494 2.352 10 0 BEAERN Brc1ccn(Cc2ccns2)n1 ZINC000575469914 387110758 /nfs/dbraw/zinc/11/07/58/387110758.db2.gz JPDGFBPEXUJYAC-UHFFFAOYSA-N 0 0 244.117 2.150 10 0 BEAERN C[C@H](CF)Nc1ccncc1Br ZINC000575471871 387111076 /nfs/dbraw/zinc/11/10/76/387111076.db2.gz QWUYHEIQIKNLCW-ZCFIWIBFSA-N 0 0 233.084 2.036 10 0 BEAERN CCOC(=O)c1cc2cc[nH]c2cc1O ZINC000575436550 387117476 /nfs/dbraw/zinc/11/74/76/387117476.db2.gz KMLWKKDDMCQPMI-UHFFFAOYSA-N 0 0 205.213 2.050 10 0 BEAERN O=Cc1cc2ccc(C(F)(F)F)nc2[nH]1 ZINC000575440215 387127740 /nfs/dbraw/zinc/12/77/40/387127740.db2.gz CVHCUKWVGXQQSO-UHFFFAOYSA-N 0 0 214.146 2.394 10 0 BEAERN CNc1nc(-c2nc(C)cs2)cs1 ZINC000575586483 387144950 /nfs/dbraw/zinc/14/49/50/387144950.db2.gz CNIONUVEAJXJCP-UHFFFAOYSA-N 0 0 211.315 2.039 10 0 BEAERN CSCCC(=O)NCC1(C2CC2)CCC1 ZINC000120094410 387156251 /nfs/dbraw/zinc/15/62/51/387156251.db2.gz ZPUAFBWGDNGRLB-UHFFFAOYSA-N 0 0 227.373 2.436 10 0 BEAERN O=C1CC2(CCOCC2)Oc2ccc(F)cc21 ZINC000164847586 387157286 /nfs/dbraw/zinc/15/72/86/387157286.db2.gz QIEUOPHFNHYQQW-UHFFFAOYSA-N 0 0 236.242 2.340 10 0 BEAERN C[C@@H](O)CNc1cccc(F)c1Cl ZINC000575478200 387160942 /nfs/dbraw/zinc/16/09/42/387160942.db2.gz FQXIYWWBNQJMKO-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN C[C@H]1Cc2nc(-c3ccc(F)cc3)cc(=O)n2C1 ZINC000536950477 387161974 /nfs/dbraw/zinc/16/19/74/387161974.db2.gz IASLYAMHZHMBJT-VIFPVBQESA-N 0 0 244.269 2.242 10 0 BEAERN Cc1ccc([C@H]2CNC(=O)C23CCC3)cc1 ZINC000536951921 387163133 /nfs/dbraw/zinc/16/31/33/387163133.db2.gz ZYYRFMBKMMZSPR-GFCCVEGCSA-N 0 0 215.296 2.379 10 0 BEAERN Cc1ccccc1[C@H]1CNC(=O)C12CCC2 ZINC000536951458 387163562 /nfs/dbraw/zinc/16/35/62/387163562.db2.gz QZUXKKCQZRSAFQ-GFCCVEGCSA-N 0 0 215.296 2.379 10 0 BEAERN CC(=O)c1cc(O)c(C=O)cc1OC(F)F ZINC000575662057 387165754 /nfs/dbraw/zinc/16/57/54/387165754.db2.gz WARBCIIWKMADQO-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN C=C(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000536957571 387171493 /nfs/dbraw/zinc/17/14/93/387171493.db2.gz FVDLKXPUKQUEMN-UHFFFAOYSA-N 0 0 216.689 2.355 10 0 BEAERN CC[C@H](NC(=O)[C@H]1CCC[C@H]1C)c1ncc[nH]1 ZINC000300242175 387183476 /nfs/dbraw/zinc/18/34/76/387183476.db2.gz XTOYHJORAIQYCZ-VWYCJHECSA-N 0 0 235.331 2.413 10 0 BEAERN CCC(=O)Oc1c[nH]c2cccc(OC(C)=O)c12 ZINC000575440412 387133735 /nfs/dbraw/zinc/13/37/35/387133735.db2.gz KSXKMKOEKNUXGF-UHFFFAOYSA-N 0 0 247.250 2.409 10 0 BEAERN CC1(n2ncc(Br)c2F)CC1 ZINC000575440985 387137842 /nfs/dbraw/zinc/13/78/42/387137842.db2.gz DYSBZMYYAJQIOK-UHFFFAOYSA-N 0 0 219.057 2.294 10 0 BEAERN Cn1cc(Cl)c2nc(Br)cnc21 ZINC000575442002 387138725 /nfs/dbraw/zinc/13/87/25/387138725.db2.gz MGBSDFXNFGDWKN-UHFFFAOYSA-N 0 0 246.495 2.384 10 0 BEAERN Cc1nc(C(=O)OC(C)(C)C)ccc1F ZINC000575441846 387138838 /nfs/dbraw/zinc/13/88/38/387138838.db2.gz CZPKWJCJCHLLGX-UHFFFAOYSA-N 0 0 211.236 2.484 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@H]2C[C@H]2C)o1 ZINC000120235791 387215067 /nfs/dbraw/zinc/21/50/67/387215067.db2.gz HAQXQBPRWXTIAC-XCBNKYQSSA-N 0 0 207.273 2.289 10 0 BEAERN CCn1ccnc1CSCCCOC ZINC000187851967 387215145 /nfs/dbraw/zinc/21/51/45/387215145.db2.gz NLEITNPRPDUSHJ-UHFFFAOYSA-N 0 0 214.334 2.173 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@H]2C[C@@H]2C)o1 ZINC000120235498 387215231 /nfs/dbraw/zinc/21/52/31/387215231.db2.gz HAQXQBPRWXTIAC-XVKPBYJWSA-N 0 0 207.273 2.289 10 0 BEAERN CC(C)CC1(C(=O)NCC2(C)COC2)CCC1 ZINC000120268850 387217095 /nfs/dbraw/zinc/21/70/95/387217095.db2.gz TVXYZEBJJULALV-UHFFFAOYSA-N 0 0 239.359 2.356 10 0 BEAERN Cc1cc(CN(C)C(=O)c2cccs2)on1 ZINC000064555581 387220970 /nfs/dbraw/zinc/22/09/70/387220970.db2.gz GRTUSHZMKHJHKE-UHFFFAOYSA-N 0 0 236.296 2.317 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccccc1 ZINC000230171507 387239730 /nfs/dbraw/zinc/23/97/30/387239730.db2.gz ABDUPLXMDAGHFC-BNOWGMLFSA-N 0 0 247.338 2.272 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000230173558 387240117 /nfs/dbraw/zinc/24/01/17/387240117.db2.gz YKPGEUIAYSIPLR-VOAKCMCISA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N(C)CC1(O)CCCC1 ZINC000230175468 387240133 /nfs/dbraw/zinc/24/01/33/387240133.db2.gz HCLRDAYPSXRWOC-NWDGAFQWSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1CCCO ZINC000230171431 387240521 /nfs/dbraw/zinc/24/05/21/387240521.db2.gz LFTMHGGZKZQUIB-JHJVBQTASA-N 0 0 239.359 2.186 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCC1(O)CCCCC1 ZINC000230173481 387240631 /nfs/dbraw/zinc/24/06/31/387240631.db2.gz JVXNGIPUDMNUJX-RYUDHWBXSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@@H]1C ZINC000188047337 387244149 /nfs/dbraw/zinc/24/41/49/387244149.db2.gz FHXWWJYQTDPFED-FDYHWXHSSA-N 0 0 239.359 2.449 10 0 BEAERN COc1c(O)c(OC(F)F)ccc1C(C)=O ZINC000575662831 387195711 /nfs/dbraw/zinc/19/57/11/387195711.db2.gz JXWOKVQLRZFEIG-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CC(C)NC(=O)[C@H]1CCCSCC1 ZINC000575484074 387195814 /nfs/dbraw/zinc/19/58/14/387195814.db2.gz HNGGQRUKLWEMPS-VIFPVBQESA-N 0 0 201.335 2.044 10 0 BEAERN Cc1cc(OC(F)F)cc(C=O)c1O ZINC000575662769 387200152 /nfs/dbraw/zinc/20/01/52/387200152.db2.gz HJTUYUASIWJKLW-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(OC(F)F)cc(C=O)c1C ZINC000575664970 387311955 /nfs/dbraw/zinc/31/19/55/387311955.db2.gz MRJZMKNHEWTRCW-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000424738510 387263012 /nfs/dbraw/zinc/26/30/12/387263012.db2.gz MTQHBZZLSLWWTE-UPJWGTAASA-N 0 0 239.359 2.044 10 0 BEAERN CC(C)n1nnnc1CN[C@H](C)c1ccccc1 ZINC000120703000 387266763 /nfs/dbraw/zinc/26/67/63/387266763.db2.gz CCFHENOWMORXHI-LLVKDONJSA-N 0 0 245.330 2.105 10 0 BEAERN Cc1cc(OC(F)F)cc(O)c1C=O ZINC000575663188 387266819 /nfs/dbraw/zinc/26/68/19/387266819.db2.gz RYBFFEXBMUTMGF-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1c(O)cc(OC(F)F)cc1C(C)=O ZINC000575663213 387268493 /nfs/dbraw/zinc/26/84/93/387268493.db2.gz SZOORBIVYZLRDJ-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1c(OC(F)F)cc(O)cc1C(C)=O ZINC000575663009 387269893 /nfs/dbraw/zinc/26/98/93/387269893.db2.gz ORANWIJLZFXNFD-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1cc(O)c(OC(F)F)c(C(C)=O)c1 ZINC000575663034 387270099 /nfs/dbraw/zinc/27/00/99/387270099.db2.gz PTQCHBHAIFSZNY-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(O)c(C(F)F)c(CO)c1 ZINC000575666528 387317518 /nfs/dbraw/zinc/31/75/18/387317518.db2.gz LFCGAFVFAAFPBR-UHFFFAOYSA-N 0 0 218.199 2.221 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)N(C)C)cn1 ZINC000231662048 387277015 /nfs/dbraw/zinc/27/70/15/387277015.db2.gz REORMGZUPLIQCC-PWSUYJOCSA-N 0 0 247.342 2.384 10 0 BEAERN C[C@@H]1SCC[C@H]1Nc1cnsc1 ZINC000575494117 387287105 /nfs/dbraw/zinc/28/71/05/387287105.db2.gz RGDRXTVVIIEJTK-POYBYMJQSA-N 0 0 200.332 2.449 10 0 BEAERN COc1c(C)c(O)ccc1OC(F)F ZINC000575664108 387288954 /nfs/dbraw/zinc/28/89/54/387288954.db2.gz BXDOQEQPXWGLBK-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN COc1cc(O)c(OC(F)F)cc1C ZINC000575664189 387289234 /nfs/dbraw/zinc/28/92/34/387289234.db2.gz DBZJNMHSNAFALW-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN COc1cc(OC(F)F)c(C)cc1C=O ZINC000575664000 387290713 /nfs/dbraw/zinc/29/07/13/387290713.db2.gz AIWXVYZDKXLYKL-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN COc1c(C)cc(C(F)(F)F)cc1C(N)=O ZINC000575675612 387356017 /nfs/dbraw/zinc/35/60/17/387356017.db2.gz WHKPMTJHPBURBN-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN Cn1c2ccccc2nc1[C@H]1CCC(=O)C1 ZINC000575602245 387368303 /nfs/dbraw/zinc/36/83/03/387368303.db2.gz MJUHJYBUXCVJIM-VIFPVBQESA-N 0 0 214.268 2.410 10 0 BEAERN CC[C@H]1COc2c(Br)c(C)nn2C1 ZINC000575601829 387369060 /nfs/dbraw/zinc/36/90/60/387369060.db2.gz FGHDRWYGYPIRHT-SSDOTTSWSA-N 0 0 245.120 2.373 10 0 BEAERN Nc1cnn(C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000575602407 387370584 /nfs/dbraw/zinc/37/05/84/387370584.db2.gz OCRGUKZYNIYNPC-YPMHNXCESA-N 0 0 213.284 2.269 10 0 BEAERN Nc1cnn(C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000575602402 387371477 /nfs/dbraw/zinc/37/14/77/387371477.db2.gz OCRGUKZYNIYNPC-AAEUAGOBSA-N 0 0 213.284 2.269 10 0 BEAERN CCC1CC(COc2ncccc2N)C1 ZINC000575602312 387371549 /nfs/dbraw/zinc/37/15/49/387371549.db2.gz MEOKKLCZTOHEJS-UHFFFAOYSA-N 0 0 206.289 2.479 10 0 BEAERN CC(=O)c1nn2c(c1Br)CCCC2 ZINC000575602767 387373364 /nfs/dbraw/zinc/37/33/64/387373364.db2.gz WILQRADUPXCZIP-UHFFFAOYSA-N 0 0 243.104 2.185 10 0 BEAERN CC(=O)c1c(O)ccc(O)c1Br ZINC000575688185 387377113 /nfs/dbraw/zinc/37/71/13/387377113.db2.gz XNSUURXGYXYNIE-UHFFFAOYSA-N 0 0 231.045 2.063 10 0 BEAERN Cc1cc(C=O)cc(C(F)F)c1CO ZINC000575667541 387321238 /nfs/dbraw/zinc/32/12/38/387321238.db2.gz GPCFDTLIRYLFFI-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CCc1cc(CO)c(C=O)cc1C(F)F ZINC000575668601 387323451 /nfs/dbraw/zinc/32/34/51/387323451.db2.gz RCITZFSJXXVQAZ-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN COc1cc(C)c(CO)cc1C(F)F ZINC000575671116 387337397 /nfs/dbraw/zinc/33/73/97/387337397.db2.gz MSCWWKKJGQCTKJ-UHFFFAOYSA-N 0 0 202.200 2.434 10 0 BEAERN COc1cc(C)c(C(F)(F)F)cc1C(N)=O ZINC000575673064 387337836 /nfs/dbraw/zinc/33/78/36/387337836.db2.gz BEEDGXUVUSIRJH-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN CCOC(=O)c1c(C)c(OC)ccc1OC ZINC000575672765 387339384 /nfs/dbraw/zinc/33/93/84/387339384.db2.gz MOMRPPBBOCPFLT-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN Cc1ccc(C(F)(F)F)c(C)c1C(N)=O ZINC000575672898 387339682 /nfs/dbraw/zinc/33/96/82/387339682.db2.gz SWNDBDNUDBBBRX-UHFFFAOYSA-N 0 0 217.190 2.421 10 0 BEAERN Brc1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000575596293 387341207 /nfs/dbraw/zinc/34/12/07/387341207.db2.gz LUIDLAHLQUDPBU-NTSWFWBYSA-N 0 0 229.077 2.346 10 0 BEAERN COc1ccc(OC)c(C(F)(F)F)c1O ZINC000575671878 387341417 /nfs/dbraw/zinc/34/14/17/387341417.db2.gz QQJHEPNKRGJLFS-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1cc(C(F)(F)F)cc(C(N)=O)c1C ZINC000575673738 387342527 /nfs/dbraw/zinc/34/25/27/387342527.db2.gz NLAXOVMMZOXQQZ-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN COc1cc(OC(F)(F)F)cc(OC)c1O ZINC000575672178 387342534 /nfs/dbraw/zinc/34/25/34/387342534.db2.gz ZTNVXMJRHMLNBH-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN COc1cc(OC)c(OC(F)(F)F)cc1O ZINC000575672131 387343014 /nfs/dbraw/zinc/34/30/14/387343014.db2.gz YBZWVJUBIJTBBT-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN Nc1ccc(Br)c([C@@H](O)C2CC2)c1 ZINC000575501068 387350230 /nfs/dbraw/zinc/35/02/30/387350230.db2.gz JKLMTNNLPUNPPB-JTQLQIEISA-N 0 0 242.116 2.475 10 0 BEAERN C[C@@H](O)c1cc(N)ccc1Br ZINC000575501792 387354056 /nfs/dbraw/zinc/35/40/56/387354056.db2.gz PQPUFGBKVOMKJI-RXMQYKEDSA-N 0 0 216.078 2.085 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CCCSCC1 ZINC000575517365 387429913 /nfs/dbraw/zinc/42/99/13/387429913.db2.gz DVESXJKFHUYEJH-MRVPVSSYSA-N 0 0 219.737 2.141 10 0 BEAERN CC(=O)c1cc(OC(F)F)c(F)cc1N ZINC000575716025 387430897 /nfs/dbraw/zinc/43/08/97/387430897.db2.gz GCEQGZMWVBOJEZ-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CCOc1ccc(N)c(CC)c1C(C)=O ZINC000575716428 387431875 /nfs/dbraw/zinc/43/18/75/387431875.db2.gz ASUHKBWCQOHTQO-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CC(=O)c1cc(OC(F)F)c(N)cc1F ZINC000575716183 387432295 /nfs/dbraw/zinc/43/22/95/387432295.db2.gz MKICSWRXORMPTM-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CC(=O)c1cc(C)c(OC(F)F)cc1N ZINC000575716692 387433425 /nfs/dbraw/zinc/43/34/25/387433425.db2.gz HTISIHFOAQTYLV-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CCOc1cc(N)c(C(C)=O)c(CC)c1 ZINC000575716883 387433793 /nfs/dbraw/zinc/43/37/93/387433793.db2.gz HURNBWKGEFIWPK-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN COc1cc(C(C)=O)c(OC(F)F)cc1N ZINC000575717209 387434732 /nfs/dbraw/zinc/43/47/32/387434732.db2.gz NJOHTXWWEWMDTH-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN COc1cc(OC(F)F)c(C(C)=O)cc1N ZINC000575717080 387435185 /nfs/dbraw/zinc/43/51/85/387435185.db2.gz KYQDQGBKTLVBSO-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN O=C(c1ccc(F)cc1Br)N1CC1 ZINC000306577512 387437192 /nfs/dbraw/zinc/43/71/92/387437192.db2.gz VGQVSZXHLRWUCM-UHFFFAOYSA-N 0 0 244.063 2.044 10 0 BEAERN Cc1ccc(N)c(Br)c1O ZINC000575719854 387439813 /nfs/dbraw/zinc/43/98/13/387439813.db2.gz AWOYNFAQVHXLPY-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN Nc1cc(Cl)cc(O)c1Br ZINC000575719718 387440093 /nfs/dbraw/zinc/44/00/93/387440093.db2.gz GPURYLDDLUGQPE-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CC(=O)c1cc(O)c(N)cc1C(F)(F)F ZINC000575719706 387440463 /nfs/dbraw/zinc/44/04/63/387440463.db2.gz ZHVSAUJMOCBMAJ-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Nc1ccc(OC(F)F)c(Cl)c1O ZINC000575720292 387441827 /nfs/dbraw/zinc/44/18/27/387441827.db2.gz KJNSCTLFULMHLF-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN C[C@H](CO)Nc1cccc(Br)c1F ZINC000575522615 387443685 /nfs/dbraw/zinc/44/36/85/387443685.db2.gz AKZWHFZUQKUFGH-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN CCOc1c(N)cc(Br)cc1O ZINC000575722354 387444032 /nfs/dbraw/zinc/44/40/32/387444032.db2.gz IHLVFBYCUKUHFV-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOc1cc(OCC)c(OC)cc1N ZINC000575721711 387444093 /nfs/dbraw/zinc/44/40/93/387444093.db2.gz RQZHQXDSGOWVCU-UHFFFAOYSA-N 0 0 211.261 2.075 10 0 BEAERN CCOc1cc(O)c(N)cc1Br ZINC000575722367 387445036 /nfs/dbraw/zinc/44/50/36/387445036.db2.gz JDUYIHOKXIBYSH-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)c1cc(N)cc(CC)c1F ZINC000575723393 387446024 /nfs/dbraw/zinc/44/60/24/387446024.db2.gz AKAOGQVVLKNUDI-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN COc1ccc(C)c(OC(F)F)c1N ZINC000575722513 387446095 /nfs/dbraw/zinc/44/60/95/387446095.db2.gz DKGYTOAFDQYFHM-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN Nc1ccc(C(F)(F)F)c(N)c1OC(F)F ZINC000575722588 387446462 /nfs/dbraw/zinc/44/64/62/387446462.db2.gz HCZQSVZFSPWCJL-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN CCOc1cc(Br)c(N)cc1OC ZINC000575723374 387446569 /nfs/dbraw/zinc/44/65/69/387446569.db2.gz WNWXXFZHSNGNIE-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN Nc1c(Cl)ccc(O)c1OC(F)F ZINC000575722637 387446681 /nfs/dbraw/zinc/44/66/81/387446681.db2.gz SIYKGGPYSTUBQZ-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(C(F)F)c(N)cc1OC(F)F ZINC000575723470 387446809 /nfs/dbraw/zinc/44/68/09/387446809.db2.gz WWNFXYKRUMHJRA-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN CCOC(=O)c1cc(N)c(OCC)cc1CC ZINC000575723864 387447353 /nfs/dbraw/zinc/44/73/53/387447353.db2.gz GKPBSTLBCQMSMN-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1cc(N)cc(OCC)c1CC ZINC000575723997 387447843 /nfs/dbraw/zinc/44/78/43/387447843.db2.gz NUZDEQANFLHBFY-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1cc(C)cc(OCC)c1N ZINC000575723850 387447975 /nfs/dbraw/zinc/44/79/75/387447975.db2.gz FSUDYPNKPWDZTM-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1cc(O)c(N)cc1C(F)(F)F ZINC000575724998 387459715 /nfs/dbraw/zinc/45/97/15/387459715.db2.gz PNCAUVIHIYPCEH-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCOc1cc(CC)cc(C=O)c1OC ZINC000575694324 387385841 /nfs/dbraw/zinc/38/58/41/387385841.db2.gz BSDVFCAJVSHPMU-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CSCCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121679620 387392550 /nfs/dbraw/zinc/39/25/50/387392550.db2.gz NVAWYXSFYVVNTB-JTQLQIEISA-N 0 0 240.376 2.085 10 0 BEAERN CCOc1cc(C)c(CC)cc1C(N)=O ZINC000575697561 387393044 /nfs/dbraw/zinc/39/30/44/387393044.db2.gz YXPKTUOBHFUQKM-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000122017601 387460131 /nfs/dbraw/zinc/46/01/31/387460131.db2.gz ZRWYJOMHBMYKSI-ZANVPECISA-N 0 0 247.294 2.395 10 0 BEAERN Fc1ccc2c(c1Br)OCCN2 ZINC000575510575 387394292 /nfs/dbraw/zinc/39/42/92/387394292.db2.gz GTZLJRDHXMXHLY-UHFFFAOYSA-N 0 0 232.052 2.393 10 0 BEAERN CC1(C)CC(C(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000336572978 387396845 /nfs/dbraw/zinc/39/68/45/387396845.db2.gz ZGXOUVJTMWURRM-JQWIXIFHSA-N 0 0 239.359 2.090 10 0 BEAERN OCc1c(F)c(F)ccc1C(F)(F)F ZINC000575696578 387397058 /nfs/dbraw/zinc/39/70/58/387397058.db2.gz ZKXKYTCZBVQZQF-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN CC1(C)CC(C(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000336572982 387398130 /nfs/dbraw/zinc/39/81/30/387398130.db2.gz ZGXOUVJTMWURRM-ZYHUDNBSSA-N 0 0 239.359 2.090 10 0 BEAERN CCc1cc(OC)c(C(N)=O)cc1C(F)(F)F ZINC000575704026 387400176 /nfs/dbraw/zinc/40/01/76/387400176.db2.gz SXTSIWRKHKMVCX-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1cc(C(N)=O)cc(F)c1SC ZINC000575703314 387400698 /nfs/dbraw/zinc/40/06/98/387400698.db2.gz ZMEHEXPWKMACRP-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN OCc1c(O)cc(F)cc1C(F)(F)F ZINC000575704011 387400759 /nfs/dbraw/zinc/40/07/59/387400759.db2.gz SHENAJIRRVUSFI-UHFFFAOYSA-N 0 0 210.126 2.042 10 0 BEAERN CCOC(=O)Cc1cc(O)cc(Cl)c1F ZINC000575700522 387403520 /nfs/dbraw/zinc/40/35/20/387403520.db2.gz LTVDXPYLJFVINK-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(O)cc1OC ZINC000575699720 387403709 /nfs/dbraw/zinc/40/37/09/387403709.db2.gz CAWJJJWIFRODRZ-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CCc1ccc(SC)c(C(N)=O)c1C ZINC000575702297 387406333 /nfs/dbraw/zinc/40/63/33/387406333.db2.gz DLWTUBBZBMBWOD-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN CCc1ccc(SC)c(C)c1C(N)=O ZINC000575702473 387407458 /nfs/dbraw/zinc/40/74/58/387407458.db2.gz FWACCJGGZPPXBI-UHFFFAOYSA-N 0 0 209.314 2.378 10 0 BEAERN Cc1cc(C(N)=O)c(F)cc1OC(F)(F)F ZINC000575708300 387411940 /nfs/dbraw/zinc/41/19/40/387411940.db2.gz CHZFMKCJBLXCRN-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN Cc1cc(OC(F)(F)F)cc(F)c1C(N)=O ZINC000575710277 387415455 /nfs/dbraw/zinc/41/54/55/387415455.db2.gz SEESCYQUBARKFL-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN COC(=O)Cc1cc(OC)cc(OC)c1Cl ZINC000575712460 387416490 /nfs/dbraw/zinc/41/64/90/387416490.db2.gz HIEPRWCEFIPJQJ-UHFFFAOYSA-N 0 0 244.674 2.073 10 0 BEAERN COC(=O)c1c(C)cc(O)cc1Br ZINC000575712789 387416696 /nfs/dbraw/zinc/41/66/96/387416696.db2.gz QSWURIQNOZUJJG-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN COC(=O)c1c(O)cc(C(F)(F)F)cc1F ZINC000575713917 387416775 /nfs/dbraw/zinc/41/67/75/387416775.db2.gz KXJSEKGMSIERKY-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COC(=O)Cc1cc(O)cc(Cl)c1C ZINC000575712914 387416832 /nfs/dbraw/zinc/41/68/32/387416832.db2.gz QURRBPHNZQXSQL-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN COC(=O)Cc1c(C)c(O)ccc1Cl ZINC000575713338 387416964 /nfs/dbraw/zinc/41/69/64/387416964.db2.gz XYCFYLLQLOSWAW-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN COC(=O)Cc1cc(F)c(OC)cc1Cl ZINC000575712567 387417026 /nfs/dbraw/zinc/41/70/26/387417026.db2.gz KIZMXVGMSGPEHU-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN O=C(c1ccccc1O)N1C[C@H]2CCC[C@@H]21 ZINC000336593465 387418980 /nfs/dbraw/zinc/41/89/80/387418980.db2.gz RXHDDYHXGJGVAL-KOLCDFICSA-N 0 0 217.268 2.017 10 0 BEAERN Cc1nnc(SC(C)C)c(C[NH3+])c1C ZINC000040290694 387496668 /nfs/dbraw/zinc/49/66/68/387496668.db2.gz YVNLVPRUSGKVTP-UHFFFAOYSA-N 0 0 211.334 2.053 10 0 BEAERN O=Cc1cc(Cc2cccnc2)ccc1O ZINC000039619814 387497061 /nfs/dbraw/zinc/49/70/61/387497061.db2.gz IKTPTXRNENTYQS-UHFFFAOYSA-N 0 0 213.236 2.191 10 0 BEAERN CCC[C@@]1(c2ccccc2)CC(=O)N(C)C1=O ZINC000584623810 387502998 /nfs/dbraw/zinc/50/29/98/387502998.db2.gz OOFXBDTWYKKPNF-AWEZNQCLSA-N 0 0 231.295 2.113 10 0 BEAERN CCCC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000584627017 387503654 /nfs/dbraw/zinc/50/36/54/387503654.db2.gz DDFSRULGVVMSLU-UHFFFAOYSA-N 0 0 221.256 2.003 10 0 BEAERN O=Cc1ccc(CO)n1CCc1ccccc1 ZINC000006096242 387516783 /nfs/dbraw/zinc/51/67/83/387516783.db2.gz FGJASCOTIIEINS-UHFFFAOYSA-N 0 0 229.279 2.036 10 0 BEAERN CC(C)(CF)Nc1ncncc1Cl ZINC000306288326 387521893 /nfs/dbraw/zinc/52/18/93/387521893.db2.gz MKORZWFGJWAGFA-UHFFFAOYSA-N 0 0 203.648 2.290 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C)C2)c1 ZINC000105857044 387524535 /nfs/dbraw/zinc/52/45/35/387524535.db2.gz IPBSVERNNHVECR-YNEHKIRRSA-N 0 0 247.342 2.011 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)c(N)cc1O ZINC000575726166 387463808 /nfs/dbraw/zinc/46/38/08/387463808.db2.gz ZGXWBFOYJQJYRJ-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Cc1cc(O)c(OC(F)(F)F)cc1N ZINC000575727920 387465005 /nfs/dbraw/zinc/46/50/05/387465005.db2.gz LDYSYBZJHAHYJW-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1c(N)cc(C)cc1OC(F)(F)F ZINC000575728629 387465771 /nfs/dbraw/zinc/46/57/71/387465771.db2.gz FUIAJHDACCZERG-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(C(F)(F)F)c(O)cc1N ZINC000575728521 387466188 /nfs/dbraw/zinc/46/61/88/387466188.db2.gz QSNURBFWEJGEHL-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1cc(N)c(C(F)(F)F)cc1O ZINC000575728319 387466332 /nfs/dbraw/zinc/46/63/32/387466332.db2.gz MXZSXFGFGSBTAT-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1c(C)ccc(CO)c1OC(F)(F)F ZINC000575729762 387467749 /nfs/dbraw/zinc/46/77/49/387467749.db2.gz PQCCITIHMIPFDU-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1c(O)c(N)ccc1C(F)(F)F ZINC000575729073 387468860 /nfs/dbraw/zinc/46/88/60/387468860.db2.gz VGONNSHYVZNEDD-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1c(CO)cc(C)cc1OC(F)(F)F ZINC000575729668 387470453 /nfs/dbraw/zinc/47/04/53/387470453.db2.gz OQBZRGKPYZQNDR-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1c(C)cc(OC(F)(F)F)cc1CO ZINC000575730463 387473319 /nfs/dbraw/zinc/47/33/19/387473319.db2.gz WKJKKSNXVCTULA-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CCCn1nccc1NC(=O)c1ccc(C)n1C ZINC000031769944 387488489 /nfs/dbraw/zinc/48/84/89/387488489.db2.gz MXMMCEDRLBGIDN-UHFFFAOYSA-N 0 0 246.314 2.192 10 0 BEAERN CCC[C@H](C)C(=O)N(C)C[C@@H]1CCCO1 ZINC000122808752 387604912 /nfs/dbraw/zinc/60/49/12/387604912.db2.gz KIWUVTIIXZVGIZ-QWRGUYRKSA-N 0 0 213.321 2.060 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1 ZINC000042371295 387629145 /nfs/dbraw/zinc/62/91/45/387629145.db2.gz FIPIGLDNVMYCDC-LBPRGKRZSA-N 0 0 237.274 2.077 10 0 BEAERN CC[C@@H](C(=O)NC1CCC(CC)CC1)[NH+](C)C ZINC000124325196 387612845 /nfs/dbraw/zinc/61/28/45/387612845.db2.gz DDDDYKIWSFQZPG-BPCQOVAHSA-N 0 0 240.391 2.412 10 0 BEAERN Cc1cc(C)cc(C(=O)N2CC[C@H](CCO)C2)c1 ZINC000122986502 387620717 /nfs/dbraw/zinc/62/07/17/387620717.db2.gz SZNWGPYPSOWTLD-CYBMUJFWSA-N 0 0 247.338 2.148 10 0 BEAERN CCN(C)C(=O)N1CCC[C@@H]1c1nccs1 ZINC000376321141 387620981 /nfs/dbraw/zinc/62/09/81/387620981.db2.gz JNYXDZGCGKZKFM-SECBINFHSA-N 0 0 239.344 2.352 10 0 BEAERN CC[C@@H](CC1CCCC1)C(=O)N1CC(CO)C1 ZINC000122644488 387572511 /nfs/dbraw/zinc/57/25/11/387572511.db2.gz NADNAIIRTUXLEC-ZDUSSCGKSA-N 0 0 239.359 2.044 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@@H](C)SC1 ZINC000575535639 387576990 /nfs/dbraw/zinc/57/69/90/387576990.db2.gz YTCRBSQDXHMQNZ-HTRCEHHLSA-N 0 0 219.737 2.139 10 0 BEAERN S=c1[nH]ccn1Cc1ccc(Cl)o1 ZINC000575546803 387633890 /nfs/dbraw/zinc/63/38/90/387633890.db2.gz ZKAVGGKLBXJAMK-UHFFFAOYSA-N 0 0 214.677 2.467 10 0 BEAERN O=C(c1ccnc2ccccc21)N1CCCO1 ZINC000125472362 387655778 /nfs/dbraw/zinc/65/57/78/387655778.db2.gz OETAXCGTLYEPFW-UHFFFAOYSA-N 0 0 228.251 2.012 10 0 BEAERN CCN(C(=O)[C@@H]1CC1(C)C)c1cccnc1 ZINC000123128952 387657055 /nfs/dbraw/zinc/65/70/55/387657055.db2.gz AUIQCLRQCYNQLF-NSHDSACASA-N 0 0 218.300 2.481 10 0 BEAERN Cc1n[nH]cc1C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000362840772 387663412 /nfs/dbraw/zinc/66/34/12/387663412.db2.gz ROXOWWWFZAYJFH-JQWIXIFHSA-N 0 0 233.315 2.123 10 0 BEAERN ClC(Cl)(Cl)CCN1CCO[C@@H]2C[C@@H]21 ZINC000306406239 387689216 /nfs/dbraw/zinc/68/92/16/387689216.db2.gz WWPNJVNFUFCSTQ-NKWVEPMBSA-N 0 0 244.549 2.220 10 0 BEAERN Cc1ccc(CCC(=O)NC[C@@H](O)C(C)C)cc1 ZINC000126625754 387691276 /nfs/dbraw/zinc/69/12/76/387691276.db2.gz UURHWGYBFFJTQF-CQSZACIVSA-N 0 0 249.354 2.061 10 0 BEAERN C[C@@H]1CN[C@H](c2ccncc2Cl)S1 ZINC000575554597 387693932 /nfs/dbraw/zinc/69/39/32/387693932.db2.gz GCFTXJRDSLTEJX-MUWHJKNJSA-N 0 0 214.721 2.459 10 0 BEAERN CCCCOC(=O)CN1C[C@H]2CCCC[C@H]21 ZINC000377772192 387749637 /nfs/dbraw/zinc/74/96/37/387749637.db2.gz SCZOOSCWMIZPPL-VXGBXAGGSA-N 0 0 225.332 2.204 10 0 BEAERN CCc1ccccc1C(=O)N1CC[C@H](CCO)C1 ZINC000127015138 387703314 /nfs/dbraw/zinc/70/33/14/387703314.db2.gz AZZAUEAHXKARSD-GFCCVEGCSA-N 0 0 247.338 2.094 10 0 BEAERN Cc1ncc([C@@](C)(N)C(F)(F)F)s1 ZINC000575568385 387728811 /nfs/dbraw/zinc/72/88/11/387728811.db2.gz DFDBLBHZKNSOPN-ZCFIWIBFSA-N 0 0 210.224 2.188 10 0 BEAERN Nc1nc(-c2ncccc2Cl)cs1 ZINC000575570362 387738654 /nfs/dbraw/zinc/73/86/54/387738654.db2.gz JWMNWWYKWQQZAD-UHFFFAOYSA-N 0 0 211.677 2.271 10 0 BEAERN COC(=O)Nc1cccc(N)c1Cl ZINC000306305796 387762710 /nfs/dbraw/zinc/76/27/10/387762710.db2.gz KIBFKHMKDAWSDI-UHFFFAOYSA-N 0 0 200.625 2.101 10 0 BEAERN CC(C)CCC(=O)N1CCCC[C@H](CO)C1 ZINC000378199290 387771757 /nfs/dbraw/zinc/77/17/57/387771757.db2.gz DABYXQFMNMJZEZ-LBPRGKRZSA-N 0 0 227.348 2.044 10 0 BEAERN C[C@H](Nc1ncncc1Cl)[C@H]1CCCO1 ZINC000163584576 387777202 /nfs/dbraw/zinc/77/72/02/387777202.db2.gz LPGZZEWYFNXGQD-IONNQARKSA-N 0 0 227.695 2.109 10 0 BEAERN Cc1cc(C)c(CN2C(=O)CCC2=O)c(C)c1 ZINC000049822015 387787641 /nfs/dbraw/zinc/78/76/41/387787641.db2.gz HANKEJJBHFPLFT-UHFFFAOYSA-N 0 0 231.295 2.261 10 0 BEAERN Cc1cc(C)cc(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000133606100 177893658 /nfs/dbraw/zinc/89/36/58/177893658.db2.gz SCNRIRFJYPDGHY-RYUDHWBXSA-N 0 0 235.327 2.050 10 0 BEAERN CCOC(=O)c1ccc2c(c1Cl)NC(=O)C2 ZINC000575624472 387811501 /nfs/dbraw/zinc/81/15/01/387811501.db2.gz FSGAAAINHQBPBN-UHFFFAOYSA-N 0 0 239.658 2.011 10 0 BEAERN CC(C)(C)NC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000378032582 387761460 /nfs/dbraw/zinc/76/14/60/387761460.db2.gz CYCMXQPRDFZBEK-NXEZZACHSA-N 0 0 210.321 2.369 10 0 BEAERN CCOc1cc(C#N)cc(OCC)c1OC ZINC000575637875 387832019 /nfs/dbraw/zinc/83/20/19/387832019.db2.gz JJYQHFYQFQXHLY-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN Cc1c(OC(F)(F)F)cc(N)cc1[N+](=O)[O-] ZINC000575637747 387832435 /nfs/dbraw/zinc/83/24/35/387832435.db2.gz JUYNHJIPMUVRAG-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1CO ZINC000575637600 387832715 /nfs/dbraw/zinc/83/27/15/387832715.db2.gz BBRIFYJBLHRMDA-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN N#CCc1cc(OC(F)F)cc(C=O)c1C#N ZINC000575639022 387833624 /nfs/dbraw/zinc/83/36/24/387833624.db2.gz CJHFHFYMGUJQQT-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1cc(OC(F)F)c(C=O)cc1C#N ZINC000575638280 387833715 /nfs/dbraw/zinc/83/37/15/387833715.db2.gz FOQNKDSXZVPEML-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1c(C)ccc(OC(F)F)c1C#N ZINC000575640309 387838647 /nfs/dbraw/zinc/83/86/47/387838647.db2.gz HFXTUTMUVCAPGJ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCc1cc(C#N)c(CO)cc1OC(F)F ZINC000575640615 387839903 /nfs/dbraw/zinc/83/99/03/387839903.db2.gz PFWNWAPCRYULNG-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN N#CCc1cc(C=O)c(OC(F)F)cc1C#N ZINC000575641028 387840791 /nfs/dbraw/zinc/84/07/91/387840791.db2.gz SNAJCBMHBRUHLR-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN N#Cc1c(C=O)cc(F)cc1OC(F)F ZINC000575640980 387840867 /nfs/dbraw/zinc/84/08/67/387840867.db2.gz RLMWVIWMDGGIQS-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(C#N)cc(C)c1OC(F)F ZINC000575641083 387841247 /nfs/dbraw/zinc/84/12/47/387841247.db2.gz MXGZSMJFUJEUJN-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COC(=O)Cc1ccc(C(F)(F)F)c(C)c1N ZINC000575639762 387841296 /nfs/dbraw/zinc/84/12/96/387841296.db2.gz KAQKMIBLGMUGGD-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)c(OC)cc1N ZINC000575639852 387841501 /nfs/dbraw/zinc/84/15/01/387841501.db2.gz LEPBZYYQARZROC-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN COc1ccc(F)c(OC(F)F)c1C#N ZINC000575641109 387841628 /nfs/dbraw/zinc/84/16/28/387841628.db2.gz VARILZFMCCSVDD-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)Cc1cc(N)cc(C(F)(F)F)c1C ZINC000575641474 387843905 /nfs/dbraw/zinc/84/39/05/387843905.db2.gz USYZAJCLAHQDCS-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COc1c(OC(F)F)ccc(C#N)c1C(C)=O ZINC000575641516 387844468 /nfs/dbraw/zinc/84/44/68/387844468.db2.gz VVYJAKJWTFFQIL-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1ccc(C#N)c(C)c1OC(F)F ZINC000575641500 387844541 /nfs/dbraw/zinc/84/45/41/387844541.db2.gz PFJWVFNIOGXUMW-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCc1c(C(N)=O)ccc(C#N)c1C(F)F ZINC000575641988 387846475 /nfs/dbraw/zinc/84/64/75/387846475.db2.gz RGCRNRNJMJBQKR-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COC(=O)c1c(N)c(C(F)(F)F)ccc1OC ZINC000575641407 387847456 /nfs/dbraw/zinc/84/74/56/387847456.db2.gz SWQLCNFYZFRVHI-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CC(=O)Nc1cccc(-c2nc(C)no2)c1 ZINC000062578976 387853658 /nfs/dbraw/zinc/85/36/58/387853658.db2.gz CBDRAVGDODHDCO-UHFFFAOYSA-N 0 0 217.228 2.003 10 0 BEAERN CC[C@H](C)NC(=O)C[C@H](C)c1cccnc1 ZINC000062618326 387853803 /nfs/dbraw/zinc/85/38/03/387853803.db2.gz MVYSPRJVUMGCLP-QWRGUYRKSA-N 0 0 220.316 2.490 10 0 BEAERN CC(=O)c1cc(O)c(C#N)cc1C(F)F ZINC000575642745 387864825 /nfs/dbraw/zinc/86/48/25/387864825.db2.gz IRKVJGOOQVRTPX-UHFFFAOYSA-N 0 0 211.167 2.404 10 0 BEAERN CCOc1c(C=O)ccc(C#N)c1CC ZINC000575642898 387866360 /nfs/dbraw/zinc/86/63/60/387866360.db2.gz KLIAJLCFLBPZBS-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)c(CC)c(CO)c1 ZINC000575645050 387874657 /nfs/dbraw/zinc/87/46/57/387874657.db2.gz ZRDBISGYEXIQDF-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN CCOc1cc(C#N)cc(F)c1C(C)=O ZINC000575643651 387869497 /nfs/dbraw/zinc/86/94/97/387869497.db2.gz SQGPWQFJYLNBNO-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(C)cc(C(C)=O)c1C#N ZINC000575650329 387892105 /nfs/dbraw/zinc/89/21/05/387892105.db2.gz UAEUOVHEQQWSFJ-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1cc(C#N)cc(C(C)=O)c1C ZINC000575648396 387892481 /nfs/dbraw/zinc/89/24/81/387892481.db2.gz OPYMDVIWWPIQPU-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN N#Cc1cc(F)cc(C(F)(F)F)c1CO ZINC000575648107 387893237 /nfs/dbraw/zinc/89/32/37/387893237.db2.gz OLHZBERROYXSNU-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCc1cc(CO)c(OC(F)F)cc1O ZINC000575653200 387894475 /nfs/dbraw/zinc/89/44/75/387894475.db2.gz AIPCLHVVZHMRLC-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN Cc1cc(OC(F)F)cc(C)c1CO ZINC000575653070 387894560 /nfs/dbraw/zinc/89/45/60/387894560.db2.gz SYZOLBMUJTXYPV-UHFFFAOYSA-N 0 0 202.200 2.397 10 0 BEAERN OCc1cc(C(F)F)c(OC(F)F)cc1O ZINC000575652977 387894822 /nfs/dbraw/zinc/89/48/22/387894822.db2.gz ZPCIHWFENKKKEA-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN COc1cc(O)c(OC(F)F)cc1OC ZINC000575653006 387894973 /nfs/dbraw/zinc/89/49/73/387894973.db2.gz PVUPNKAJFJARDI-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN CCc1cc(OC(F)F)cc(CO)c1F ZINC000575653771 387896062 /nfs/dbraw/zinc/89/60/62/387896062.db2.gz OCDNZRNWAPMDMT-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN Cc1occc1C(=O)N[C@H]1COc2ccccc21 ZINC000194864522 387897189 /nfs/dbraw/zinc/89/71/89/387897189.db2.gz DCXGHBSUBURCKB-LBPRGKRZSA-N 0 0 243.262 2.452 10 0 BEAERN CCc1cc(OC(F)F)cc(O)c1CO ZINC000575654190 387897948 /nfs/dbraw/zinc/89/79/48/387897948.db2.gz WRQLTZGWUWCJRT-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1ccc(OC(F)F)c(CO)c1O ZINC000575654254 387898017 /nfs/dbraw/zinc/89/80/17/387898017.db2.gz XINMGXPXSQITQC-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN COc1cc(C=O)cc(C(F)(F)F)c1C#N ZINC000575645550 387875295 /nfs/dbraw/zinc/87/52/95/387875295.db2.gz CTLRWIXPLHCDOV-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN COc1cc(C#N)cc(OC(F)(F)F)c1C=O ZINC000575645726 387876395 /nfs/dbraw/zinc/87/63/95/387876395.db2.gz DOZLYMGSXWPCLR-UHFFFAOYSA-N 0 0 245.156 2.278 10 0 BEAERN CCc1cc(C#N)cc(C(F)(F)F)c1C(N)=O ZINC000575645812 387876685 /nfs/dbraw/zinc/87/66/85/387876685.db2.gz DIWDLLVTVSUMND-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1c(C#N)ccc(C(C)=O)c1OC ZINC000575644601 387876918 /nfs/dbraw/zinc/87/69/18/387876918.db2.gz IAJWOLVFGVPPJO-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Cc1cc(CO)c(C(F)(F)F)cc1C#N ZINC000575644892 387877639 /nfs/dbraw/zinc/87/76/39/387877639.db2.gz BNACUUXRTKEKDD-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN CCOc1cc(OC)c(C#N)cc1C(C)=O ZINC000575646090 387877758 /nfs/dbraw/zinc/87/77/58/387877758.db2.gz HGYIJSGCUUDIKA-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(C(C)=O)cc(C)c1C#N ZINC000575646770 387881473 /nfs/dbraw/zinc/88/14/73/387881473.db2.gz JMTFPLJQAZNIKN-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1cc(C)cc(C#N)c1C(C)=O ZINC000575646633 387882625 /nfs/dbraw/zinc/88/26/25/387882625.db2.gz JAOJADXBBUIATI-UHFFFAOYSA-N 0 0 203.241 2.468 10 0 BEAERN CCOc1cc(OC)c(C(C)=O)cc1C#N ZINC000575646486 387882659 /nfs/dbraw/zinc/88/26/59/387882659.db2.gz ISIQHQUDLOTNPD-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCc1cc([N+](=O)[O-])c(C#N)cc1C(C)=O ZINC000575647451 387882669 /nfs/dbraw/zinc/88/26/69/387882669.db2.gz LTABYVOPQHSIKH-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN N#Cc1c(F)cc(OC(F)(F)F)cc1C=O ZINC000575647811 387883269 /nfs/dbraw/zinc/88/32/69/387883269.db2.gz NTUHWMOPYWNGGX-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCOc1cc(OC)c(C#N)c(C(C)=O)c1 ZINC000575647488 387883592 /nfs/dbraw/zinc/88/35/92/387883592.db2.gz LAJAJSIGWQQKDC-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCc1cc(OC)cc(C(C)=O)c1C#N ZINC000575648874 387885342 /nfs/dbraw/zinc/88/53/42/387885342.db2.gz ZHGVYJLPMCOPQX-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C#N)cc([N+](=O)[O-])c1OC ZINC000575648912 387885740 /nfs/dbraw/zinc/88/57/40/387885740.db2.gz RDSUFQKAONETSJ-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCOc1cc(C#N)cc(OCC)c1F ZINC000575648830 387885750 /nfs/dbraw/zinc/88/57/50/387885750.db2.gz JUNRCSFZGIRAAD-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCc1cc(C#N)c(C(C)=O)c([N+](=O)[O-])c1 ZINC000575648963 387886757 /nfs/dbraw/zinc/88/67/57/387886757.db2.gz RWORGXLAIFHDQO-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCOc1ccc(F)c(C#N)c1OCC ZINC000575651170 387887001 /nfs/dbraw/zinc/88/70/01/387887001.db2.gz RCDHXNOZASZSRR-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCOc1cc(O)cc(OCC)c1C#N ZINC000575651159 387887011 /nfs/dbraw/zinc/88/70/11/387887011.db2.gz QNQLMQFTKGCKMB-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C#N ZINC000575649585 387887501 /nfs/dbraw/zinc/88/75/01/387887501.db2.gz OCZWAPWFZAQAFV-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN N#Cc1c(F)ccc(C(F)(F)F)c1CO ZINC000575649713 387887771 /nfs/dbraw/zinc/88/77/71/387887771.db2.gz SKIIVPACWBCRFI-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCOc1cc(O)cc(C#N)c1OCC ZINC000575651217 387888352 /nfs/dbraw/zinc/88/83/52/387888352.db2.gz SFRXUTLPYSJCNQ-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CCOC(=O)CNc1c[nH]nc1-c1ccccc1 ZINC000194675488 387889460 /nfs/dbraw/zinc/88/94/60/387889460.db2.gz ZYFXOYLTKBWHJW-UHFFFAOYSA-N 0 0 245.282 2.052 10 0 BEAERN CCOc1c(F)ccc(C#N)c1OCC ZINC000575651374 387899991 /nfs/dbraw/zinc/89/99/91/387899991.db2.gz VPQQEVHCXKLIMH-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN OCc1cc(C(F)F)cc(O)c1OC(F)F ZINC000575651930 387900638 /nfs/dbraw/zinc/90/06/38/387900638.db2.gz HGSSDECRVXATPD-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN COc1cc(OC)c(O)c(OC(F)F)c1 ZINC000575652257 387901292 /nfs/dbraw/zinc/90/12/92/387901292.db2.gz CRHRROQPMKHHJN-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN Cc1cccc(C)c1NCc1nnnn1C(C)C ZINC000194988512 387901338 /nfs/dbraw/zinc/90/13/38/387901338.db2.gz VPCKNQRJOAVQGT-UHFFFAOYSA-N 0 0 245.330 2.483 10 0 BEAERN Cc1ccc(NCc2nnnn2C(C)C)cc1C ZINC000194989718 387901858 /nfs/dbraw/zinc/90/18/58/387901858.db2.gz YDFDCQTXHKXLCE-UHFFFAOYSA-N 0 0 245.330 2.483 10 0 BEAERN CCc1nnc(CN(C)c2ccccc2)n1C ZINC000195008052 387901965 /nfs/dbraw/zinc/90/19/65/387901965.db2.gz SZQHIMWHAOOFJN-UHFFFAOYSA-N 0 0 230.315 2.014 10 0 BEAERN Cc1csc([C@@H]2CN(CC(C)C)CCO2)n1 ZINC000195385806 387913328 /nfs/dbraw/zinc/91/33/28/387913328.db2.gz AEWZVCWMSVUTIL-NSHDSACASA-N 0 0 240.372 2.481 10 0 BEAERN Cc1nc(N)n(-c2c(C)cc(C)cc2C)n1 ZINC000055265939 177836277 /nfs/dbraw/zinc/83/62/77/177836277.db2.gz PKGMKHPLQAOXOD-UHFFFAOYSA-N 0 0 216.288 2.083 10 0 BEAERN Cc1cc(C)c(-c2nc(C[C@H]3CCCO3)no2)[nH]1 ZINC000020598118 177834312 /nfs/dbraw/zinc/83/43/12/177834312.db2.gz DJCIXMNXWOCPMB-SNVBAGLBSA-N 0 0 247.298 2.403 10 0 BEAERN Clc1nc(NC[C@H]2CCOC2)cs1 ZINC000306379423 387949304 /nfs/dbraw/zinc/94/93/04/387949304.db2.gz PTQHVKJOSWCRJC-ZCFIWIBFSA-N 0 0 218.709 2.245 10 0 BEAERN CC[C@]1(Nc2ccnc(F)c2)CCOC1 ZINC000306312890 387970488 /nfs/dbraw/zinc/97/04/88/387970488.db2.gz OJELAFHXWYHJDX-NSHDSACASA-N 0 0 210.252 2.202 10 0 BEAERN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000245662102 387972453 /nfs/dbraw/zinc/97/24/53/387972453.db2.gz FYUCHECQURKZIJ-NNYUYHANSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1cc(C)c2nccc(OCCO)c2c1 ZINC000053994785 387976589 /nfs/dbraw/zinc/97/65/89/387976589.db2.gz FPEFETPAKXIGBJ-UHFFFAOYSA-N 0 0 217.268 2.223 10 0 BEAERN Cc1cc(C)c2ncc3c(c2c1)NCCNC3=O ZINC000053994748 387976892 /nfs/dbraw/zinc/97/68/92/387976892.db2.gz LYLPIMWWZIWJTN-UHFFFAOYSA-N 0 0 241.294 2.007 10 0 BEAERN Cc1ccc2nc(C)cc(OCCO)c2c1 ZINC000053994802 387977116 /nfs/dbraw/zinc/97/71/16/387977116.db2.gz QGTVCATTXPTXKJ-UHFFFAOYSA-N 0 0 217.268 2.223 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000245818540 387986566 /nfs/dbraw/zinc/98/65/66/387986566.db2.gz KKJWKSDEKWEIKG-USWWRNFRSA-N 0 0 222.332 2.369 10 0 BEAERN C[C@H](c1ccccn1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000245971970 387997463 /nfs/dbraw/zinc/99/74/63/387997463.db2.gz FRWJBNCCTCWJCI-NQBHXWOUSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC=CCC2)O1 ZINC000246021092 388002588 /nfs/dbraw/zinc/00/25/88/388002588.db2.gz MKONHBUHKUSPJM-UTUOFQBUSA-N 0 0 223.316 2.026 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000246080154 388007078 /nfs/dbraw/zinc/00/70/78/388007078.db2.gz DJKDUMDZKUDPKA-FIQHERPVSA-N 0 0 227.348 2.210 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)O1 ZINC000246089665 388008140 /nfs/dbraw/zinc/00/81/40/388008140.db2.gz UZASLPMMZBQGPZ-OFTGVCEQSA-N 0 0 239.359 2.495 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000246100735 388009229 /nfs/dbraw/zinc/00/92/29/388009229.db2.gz WJDDLJRYEYNMOR-ZRUFSTJUSA-N 0 0 213.321 2.105 10 0 BEAERN CC(C)OC(=O)N1CCSCC[C@H]1C ZINC000306627258 388042336 /nfs/dbraw/zinc/04/23/36/388042336.db2.gz IPWXMRSBHQRJNV-SECBINFHSA-N 0 0 217.334 2.359 10 0 BEAERN Cc1nc(C)c(F)c(NC[C@H](C)C(C)C)n1 ZINC000336657311 388066018 /nfs/dbraw/zinc/06/60/18/388066018.db2.gz IFGAAKLOVOUGEA-QMMMGPOBSA-N 0 0 225.311 2.358 10 0 BEAERN CCCc1nsc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000084234291 388076473 /nfs/dbraw/zinc/07/64/73/388076473.db2.gz YKQJAISSUVXXDZ-IUCAKERBSA-N 0 0 241.360 2.064 10 0 BEAERN CC(C)COC1CCN(C(=O)C(C)C)CC1 ZINC000055909803 388094072 /nfs/dbraw/zinc/09/40/72/388094072.db2.gz QRWNWHYPADSHMM-UHFFFAOYSA-N 0 0 227.348 2.306 10 0 BEAERN CCc1nnc(CN(C)[C@@H](C)c2ccco2)n1C ZINC000195117822 388097131 /nfs/dbraw/zinc/09/71/31/388097131.db2.gz CQQZXLUETFYKBY-JTQLQIEISA-N 0 0 248.330 2.164 10 0 BEAERN CCn1c(C)nnc1CN(C)CC1CCCC1 ZINC000195120052 388097859 /nfs/dbraw/zinc/09/78/59/388097859.db2.gz MITCOPGERZJXEF-UHFFFAOYSA-N 0 0 236.363 2.228 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000170808781 388107464 /nfs/dbraw/zinc/10/74/64/388107464.db2.gz FQZJVLDLUNIJJD-JLLWLGSASA-N 0 0 246.310 2.218 10 0 BEAERN CC(C)[C@@H](C)NC(=O)Cc1ccsc1 ZINC000057159990 388112410 /nfs/dbraw/zinc/11/24/10/388112410.db2.gz LUAPHZCEOHWPKD-SECBINFHSA-N 0 0 211.330 2.451 10 0 BEAERN CC/C=C/CNCc1csc(COC)n1 ZINC000648716669 388243042 /nfs/dbraw/zinc/24/30/42/388243042.db2.gz UFVSWNACIRBEHN-SNAWJCMRSA-N 0 0 226.345 2.345 10 0 BEAERN Cc1ncsc1C(=O)[C@H]1CCSC1 ZINC000575517010 388353861 /nfs/dbraw/zinc/35/38/61/388353861.db2.gz CEWNMOPPVYNVAH-ZETCQYMHSA-N 0 0 213.327 2.387 10 0 BEAERN Cc1cccnc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000057294037 388356299 /nfs/dbraw/zinc/35/62/99/388356299.db2.gz IPMJGKPQMTUMEG-GHMZBOCLSA-N 0 0 249.314 2.031 10 0 BEAERN Cc1ccc(CSC[C@@H](O)CO)c(Cl)c1 ZINC000235784501 388375153 /nfs/dbraw/zinc/37/51/53/388375153.db2.gz BDKITLWAPBZUIQ-JTQLQIEISA-N 0 0 246.759 2.235 10 0 BEAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292761134 388383387 /nfs/dbraw/zinc/38/33/87/388383387.db2.gz RYXAIYDLCSUGRW-GHMZBOCLSA-N 0 0 243.301 2.426 10 0 BEAERN CNc1cc(C)[nH+]c2cc(C(=O)[O-])ccc12 ZINC000004226502 388395098 /nfs/dbraw/zinc/39/50/98/388395098.db2.gz OFBLQOFBYDOJSC-UHFFFAOYSA-N 0 0 216.240 2.283 10 0 BEAERN Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)[O-])s1 ZINC000237784789 388398598 /nfs/dbraw/zinc/39/85/98/388398598.db2.gz GKWPRBFEOHNVSE-VIFPVBQESA-N 0 0 225.313 2.278 10 0 BEAERN C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(F)c1 ZINC000295011780 388406857 /nfs/dbraw/zinc/40/68/57/388406857.db2.gz MDFMFKSYUDHZBF-GWCFXTLKSA-N 0 0 223.291 2.171 10 0 BEAERN CCSCC[C@H](C)NC(=O)N[C@H]1C[C@@H]1C ZINC000176345004 388452665 /nfs/dbraw/zinc/45/26/65/388452665.db2.gz RQYDWXFNLPZEST-GUBZILKMSA-N 0 0 230.377 2.226 10 0 BEAERN CC(C)CCN(C)Cc1nnc(C(C)C)n1C ZINC000195095028 388459741 /nfs/dbraw/zinc/45/97/41/388459741.db2.gz FCFRHQQCUJGFFH-UHFFFAOYSA-N 0 0 238.379 2.416 10 0 BEAERN CCCCSCc1nnnn1C(C)C ZINC000176897928 388465859 /nfs/dbraw/zinc/46/58/59/388465859.db2.gz LRJAXCPXVDDCNC-UHFFFAOYSA-N 0 0 214.338 2.287 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000181846221 388469607 /nfs/dbraw/zinc/46/96/07/388469607.db2.gz OMDSPAWHVAJHQT-QWRGUYRKSA-N 0 0 249.314 2.031 10 0 BEAERN Cc1csc([C@H]2CN(C(C)C)CCO2)n1 ZINC000134061172 388474131 /nfs/dbraw/zinc/47/41/31/388474131.db2.gz CPEYUULDKLGATO-SNVBAGLBSA-N 0 0 226.345 2.233 10 0 BEAERN CC(C)c1nsc(N[C@H]2CCO[C@H]2C)n1 ZINC000134569108 388477293 /nfs/dbraw/zinc/47/72/93/388477293.db2.gz ZDJYXIJMEOIOHV-YUMQZZPRSA-N 0 0 227.333 2.251 10 0 BEAERN Nc1cc(-c2cnccn2)ccc1Cl ZINC000069048750 388412807 /nfs/dbraw/zinc/41/28/07/388412807.db2.gz PBBWMTQAMUTVGW-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN CSCC(=O)Nc1ccc(C)cc1O ZINC000040413249 388414992 /nfs/dbraw/zinc/41/49/92/388414992.db2.gz KRVJRIHMVZWMTN-UHFFFAOYSA-N 0 0 211.286 2.002 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)Nc1ccccc1 ZINC000296056691 388416918 /nfs/dbraw/zinc/41/69/18/388416918.db2.gz CCKZCTVJPCGXKM-CMPLNLGQSA-N 0 0 234.299 2.064 10 0 BEAERN CC(C)OC(=O)N1CCS[C@@H](C)CC1 ZINC000307365364 388423731 /nfs/dbraw/zinc/42/37/31/388423731.db2.gz LUOMAGNOUCVVBG-VIFPVBQESA-N 0 0 217.334 2.359 10 0 BEAERN CCn1ccnc1CSC[C@H]1CCCO1 ZINC000175283177 388428985 /nfs/dbraw/zinc/42/89/85/388428985.db2.gz KMCJOBBUXHMAQS-SNVBAGLBSA-N 0 0 226.345 2.315 10 0 BEAERN O=c1[nH]ccnc1-c1ccc(Cl)cc1 ZINC000142914631 388432211 /nfs/dbraw/zinc/43/22/11/388432211.db2.gz MTXNUUHMRIRMTG-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1ncccc1Cl ZINC000528527798 388543947 /nfs/dbraw/zinc/54/39/47/388543947.db2.gz QHGHEIGSBCPBRZ-VHSXEESVSA-N 0 0 240.734 2.080 10 0 BEAERN Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1 ZINC000079878407 388484453 /nfs/dbraw/zinc/48/44/53/388484453.db2.gz IUDNXRKQECBOKJ-UHFFFAOYSA-N 0 0 237.262 2.376 10 0 BEAERN CCOC1(CNC(=O)OC(C)C)CCCC1 ZINC000310534086 388484730 /nfs/dbraw/zinc/48/47/30/388484730.db2.gz AGABRMXTUKLMEW-UHFFFAOYSA-N 0 0 229.320 2.470 10 0 BEAERN COCc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)o1 ZINC000135230189 388486076 /nfs/dbraw/zinc/48/60/76/388486076.db2.gz DPTCVRSUSSRZBT-AOOOYVTPSA-N 0 0 237.299 2.439 10 0 BEAERN Cc1cnc(N[C@@H]2CCCCC[C@@H]2O)nc1C ZINC000340976970 388493827 /nfs/dbraw/zinc/49/38/27/388493827.db2.gz MJQATOOKAGLEAR-NEPJUHHUSA-N 0 0 235.331 2.199 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)CC(C)(C)C1CC1 ZINC000342950238 388499335 /nfs/dbraw/zinc/49/93/35/388499335.db2.gz JUXGKCLEULYPLR-NSHDSACASA-N 0 0 241.375 2.336 10 0 BEAERN O=C(N[C@@H]1CCOC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000179045818 388509834 /nfs/dbraw/zinc/50/98/34/388509834.db2.gz IKDZQCHKOMMDNB-JHJVBQTASA-N 0 0 237.343 2.108 10 0 BEAERN CC(C)c1cc(C(=O)N[C@H](C)C(C)C)n(C)n1 ZINC000081812584 388595920 /nfs/dbraw/zinc/59/59/20/388595920.db2.gz FWRNNVCKFXFSCD-SNVBAGLBSA-N 0 0 237.347 2.318 10 0 BEAERN CO[C@@H]1CN(C(=O)N[C@@H](C)C(C)C)CC[C@@H]1C ZINC000187256719 388607047 /nfs/dbraw/zinc/60/70/47/388607047.db2.gz CFCVDNHBIFFXHE-SDDRHHMPSA-N 0 0 242.363 2.097 10 0 BEAERN CCn1c(C)nnc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000245889047 388609933 /nfs/dbraw/zinc/60/99/33/388609933.db2.gz JHOXGVJLYRUMBL-QWRGUYRKSA-N 0 0 236.363 2.084 10 0 BEAERN CCC[C@@H](C)[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000187681983 388610049 /nfs/dbraw/zinc/61/00/49/388610049.db2.gz SDJRYDGGPMWAIU-ZIAGYGMSSA-N 0 0 242.407 2.218 10 0 BEAERN C[C@H]1CN(c2noc(C(C)(C)C)n2)CCS1 ZINC000183883033 388572148 /nfs/dbraw/zinc/57/21/48/388572148.db2.gz MOBJKMWEKBDZEM-QMMMGPOBSA-N 0 0 241.360 2.309 10 0 BEAERN O=Cc1ccc(Nc2nncs2)cc1 ZINC000103195589 388582065 /nfs/dbraw/zinc/58/20/65/388582065.db2.gz AYYPBGSOBYPEFF-UHFFFAOYSA-N 0 0 205.242 2.094 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(OC)ncn1 ZINC000126018922 388686339 /nfs/dbraw/zinc/68/63/39/388686339.db2.gz ISWATPLEQAIHNK-BDAKNGLRSA-N 0 0 207.277 2.086 10 0 BEAERN CCC[C@H](C)NC(=O)NCC[C@@H]1CCCO1 ZINC000642618372 388620455 /nfs/dbraw/zinc/62/04/55/388620455.db2.gz WVEJYUHQWZKJBE-QWRGUYRKSA-N 0 0 228.336 2.043 10 0 BEAERN CN(C)c1ccc(NCC(F)F)cc1 ZINC000037755926 388630572 /nfs/dbraw/zinc/63/05/72/388630572.db2.gz BMKBJVLDENWGNB-UHFFFAOYSA-N 0 0 200.232 2.430 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000246653215 388647202 /nfs/dbraw/zinc/64/72/02/388647202.db2.gz DKNRDQZMUKPYRC-UTUOFQBUSA-N 0 0 227.348 2.495 10 0 BEAERN CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000374460323 388652862 /nfs/dbraw/zinc/65/28/62/388652862.db2.gz FZBZZAMXOOOVFX-COPLHBTASA-N 0 0 247.342 2.340 10 0 BEAERN Cc1cccc(CNC(=O)N(C)[C@@H](C)C2CC2)n1 ZINC000123892275 388657761 /nfs/dbraw/zinc/65/77/61/388657761.db2.gz QWVADUBOIMIVKB-NSHDSACASA-N 0 0 247.342 2.330 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000247375355 388662873 /nfs/dbraw/zinc/66/28/73/388662873.db2.gz DVMXVXABJAAQHO-ZDCRXTMVSA-N 0 0 210.321 2.225 10 0 BEAERN CSCCCCNC(=O)c1ccccc1O ZINC000124536924 388663592 /nfs/dbraw/zinc/66/35/92/388663592.db2.gz RPMOQQHSDFXKRJ-UHFFFAOYSA-N 0 0 239.340 2.265 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000249854227 388734542 /nfs/dbraw/zinc/73/45/42/388734542.db2.gz FVFFKVJTRWOWHF-CYDGBPFRSA-N 0 0 239.359 2.496 10 0 BEAERN CCCOCC(=O)NC1CCC(C)(C)CC1 ZINC000128034406 388736554 /nfs/dbraw/zinc/73/65/54/388736554.db2.gz CTYUEKXXMAKLJE-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN C[C@H]1C[C@H](C)CN(Cc2nnc(C3CC3)n2C)C1 ZINC000195008818 388692660 /nfs/dbraw/zinc/69/26/60/388692660.db2.gz YXZFHDMIDZDUGR-QWRGUYRKSA-N 0 0 248.374 2.170 10 0 BEAERN Nc1nnc([C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000127064240 388699246 /nfs/dbraw/zinc/69/92/46/388699246.db2.gz QEQKYXFPSIPUJU-WDSKDSINSA-N 0 0 235.209 2.488 10 0 BEAERN O=Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000521398910 388703321 /nfs/dbraw/zinc/70/33/21/388703321.db2.gz CLUVZSBZVZFFNL-UHFFFAOYSA-N 0 0 218.178 2.051 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1Cc1nnc(C2CC2)n1C ZINC000066531672 388719999 /nfs/dbraw/zinc/71/99/99/388719999.db2.gz YGXGBRLVOZQMSS-GHMZBOCLSA-N 0 0 248.374 2.455 10 0 BEAERN C[C@H](NCc1cscn1)c1cncs1 ZINC000127320211 388720100 /nfs/dbraw/zinc/72/01/00/388720100.db2.gz ILZDIWCRXYBELA-ZETCQYMHSA-N 0 0 225.342 2.450 10 0 BEAERN CCOC(=O)c1cc(OC)cc(C)c1OC ZINC000260198596 388726335 /nfs/dbraw/zinc/72/63/35/388726335.db2.gz VHEJLEMWSRLBDF-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000249752890 388732601 /nfs/dbraw/zinc/73/26/01/388732601.db2.gz BNQGJOOGBAGGIY-NNYUYHANSA-N 0 0 242.363 2.288 10 0 BEAERN CO[C@H](C)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000128778872 388793494 /nfs/dbraw/zinc/79/34/94/388793494.db2.gz QZIHHJPSHXPZTQ-CHWSQXEVSA-N 0 0 249.354 2.419 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ncccc1C(F)(F)F ZINC000092395025 388803484 /nfs/dbraw/zinc/80/34/84/388803484.db2.gz MQUVVRMKIOOHFK-SVRRBLITSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)c1ccccc1 ZINC000230171528 388819078 /nfs/dbraw/zinc/81/90/78/388819078.db2.gz ABDUPLXMDAGHFC-FPMFFAJLSA-N 0 0 247.338 2.272 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CCC[C@H]2C)n[nH]1 ZINC000230182939 388819135 /nfs/dbraw/zinc/81/91/35/388819135.db2.gz CWSNSFGHLDBPMB-APPZFPTMSA-N 0 0 207.277 2.093 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N[C@@H](CO)c1ccccc1 ZINC000230171500 388819165 /nfs/dbraw/zinc/81/91/65/388819165.db2.gz ABDUPLXMDAGHFC-UBHSHLNASA-N 0 0 247.338 2.272 10 0 BEAERN Nc1ccc(NC(=O)OCc2ccccc2)cn1 ZINC000575466784 388839095 /nfs/dbraw/zinc/83/90/95/388839095.db2.gz VJSHCARVHAQGBU-UHFFFAOYSA-N 0 0 243.266 2.243 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)OCC(F)(F)F ZINC000231694516 388841049 /nfs/dbraw/zinc/84/10/49/388841049.db2.gz HTVKEIKGORHVLS-RQJHMYQMSA-N 0 0 225.210 2.464 10 0 BEAERN Cc1nc(Cl)nc(SC(C)C)n1 ZINC000575472275 388851671 /nfs/dbraw/zinc/85/16/71/388851671.db2.gz LWESKCSXYBUIHD-UHFFFAOYSA-N 0 0 203.698 2.334 10 0 BEAERN Cc1cc(-c2nc3ccc(N)cc3o2)nn1C ZINC000082350826 177693364 /nfs/dbraw/zinc/69/33/64/177693364.db2.gz BGWKVYWQVPVMSF-UHFFFAOYSA-N 0 0 228.255 2.119 10 0 BEAERN Cc1cccc(Br)c1NC(N)=O ZINC000575479127 388861743 /nfs/dbraw/zinc/86/17/43/388861743.db2.gz FBQHOQIHFMFMDD-UHFFFAOYSA-N 0 0 229.077 2.248 10 0 BEAERN CCNc1cc(OC)c(N)cc1Cl ZINC000575482317 388864068 /nfs/dbraw/zinc/86/40/68/388864068.db2.gz RCFCCUCYFXNKCF-UHFFFAOYSA-N 0 0 200.669 2.363 10 0 BEAERN CC[C@@H](SC)C(=O)N1CCS[C@@H](C)C1 ZINC000129749181 388870036 /nfs/dbraw/zinc/87/00/36/388870036.db2.gz MSHIMJJDVFUKQL-DTWKUNHWSA-N 0 0 233.402 2.092 10 0 BEAERN O[C@H]1CC[C@@H]1Nc1ccccc1Br ZINC000575471059 388848161 /nfs/dbraw/zinc/84/81/61/388848161.db2.gz QVALRFCVYKYWAD-UWVGGRQHSA-N 0 0 242.116 2.384 10 0 BEAERN Clc1cnccc1[C@@H]1NCCCS1 ZINC000575472106 388850203 /nfs/dbraw/zinc/85/02/03/388850203.db2.gz RUEZKZNLOWINCC-SECBINFHSA-N 0 0 214.721 2.460 10 0 BEAERN CCOC(=O)c1cc(C)ncc1OC(F)(F)F ZINC000575375118 388884079 /nfs/dbraw/zinc/88/40/79/388884079.db2.gz ODJLAZKEKUKWBX-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN C[C@@H]1CSC[C@@H]1Nc1cnsc1 ZINC000575493331 388946940 /nfs/dbraw/zinc/94/69/40/388946940.db2.gz FEMKLOGQCLRJOS-SVRRBLITSA-N 0 0 200.332 2.307 10 0 BEAERN Nc1ccc(F)c(Br)c1N1CCC1 ZINC000575511843 389010532 /nfs/dbraw/zinc/01/05/32/389010532.db2.gz WXZRZLSXIOCATG-UHFFFAOYSA-N 0 0 245.095 2.381 10 0 BEAERN Cc1c2c(nc3ccc(O)cc13)OCC2 ZINC000098085158 177635802 /nfs/dbraw/zinc/63/58/02/177635802.db2.gz NNSHXISYSNGWGZ-UHFFFAOYSA-N 0 0 201.225 2.184 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nnc(C(F)F)s1 ZINC000270750417 389013887 /nfs/dbraw/zinc/01/38/87/389013887.db2.gz JSPKSBIJIXDRMG-CRCLSJGQSA-N 0 0 235.259 2.065 10 0 BEAERN Cc1c([C@@H](C)O)cnn1-c1nc2ccccc2[nH]1 ZINC000072415602 177630473 /nfs/dbraw/zinc/63/04/73/177630473.db2.gz MHDDSZLPZRINSX-SECBINFHSA-N 0 0 242.282 2.110 10 0 BEAERN CC1(C)CN(c2ccc(F)cc2N)CCO1 ZINC000036232022 132341101 /nfs/dbraw/zinc/34/11/01/132341101.db2.gz LTHXZNZQYUDKCW-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1CN(c2cccc(F)c2N)C[C@@H](C)O1 ZINC000037419003 132344542 /nfs/dbraw/zinc/34/45/42/132344542.db2.gz MFJCDEMQZTYEJL-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN Cc1cc2[nH]nc(C=O)c2c(Br)c1 ZINC000014984705 322823545 /nfs/dbraw/zinc/82/35/45/322823545.db2.gz JZNLRQIWYDPPJA-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN Nc1cccc2c1CCCN2CC1CCOCC1 ZINC000052174657 132229098 /nfs/dbraw/zinc/22/90/98/132229098.db2.gz MZBUUJGGIHBADF-UHFFFAOYSA-N 0 0 246.354 2.448 10 0 BEAERN O=C(c1cscn1)N1CCOc2ccccc21 ZINC000059895979 132239004 /nfs/dbraw/zinc/23/90/04/132239004.db2.gz CFKWBTSZDYYLBU-UHFFFAOYSA-N 0 0 246.291 2.182 10 0 BEAERN C[C@H](N)c1nnc(N2CCCc3ccccc32)o1 ZINC000011570398 132243656 /nfs/dbraw/zinc/24/36/56/132243656.db2.gz AYOIVRRVSQUPOD-VIFPVBQESA-N 0 0 244.298 2.174 10 0 BEAERN C[C@H]1SCCN(c2ccccn2)[C@@H]1C ZINC000301258813 132252045 /nfs/dbraw/zinc/25/20/45/132252045.db2.gz CHHIGDPWTDIUNR-NXEZZACHSA-N 0 0 208.330 2.412 10 0 BEAERN C[C@H]1SCCN(c2ccccn2)[C@H]1C ZINC000301258816 132252320 /nfs/dbraw/zinc/25/23/20/132252320.db2.gz CHHIGDPWTDIUNR-VHSXEESVSA-N 0 0 208.330 2.412 10 0 BEAERN CCCCN1c2cc(N)ccc2CCC1=O ZINC000026442155 132292683 /nfs/dbraw/zinc/29/26/83/132292683.db2.gz WUZZOCCTMXEEKW-UHFFFAOYSA-N 0 0 218.300 2.348 10 0 BEAERN CN1CCC(=O)N(c2ccccc2Cl)C1=O ZINC000033874166 132312048 /nfs/dbraw/zinc/31/20/48/132312048.db2.gz VPRDYEWQGKZTHL-UHFFFAOYSA-N 0 0 238.674 2.129 10 0 BEAERN O=C1CNc2cc(N3CCCCC3)ccc2N1 ZINC000001653932 132314598 /nfs/dbraw/zinc/31/45/98/132314598.db2.gz KBULWHZRYOZING-UHFFFAOYSA-N 0 0 231.299 2.041 10 0 BEAERN CC(=O)N(C)[C@H]1CCN(C)c2ccc(C)cc21 ZINC000005330996 132317656 /nfs/dbraw/zinc/31/76/56/132317656.db2.gz BDWDQIUBQKKLCS-AWEZNQCLSA-N 0 0 232.327 2.354 10 0 BEAERN CC(=O)N(C)[C@@H]1CCN(C)c2ccc(C)cc21 ZINC000005330992 132317805 /nfs/dbraw/zinc/31/78/05/132317805.db2.gz BDWDQIUBQKKLCS-CQSZACIVSA-N 0 0 232.327 2.354 10 0 BEAERN CC(C)CN1c2ccc(N)cc2O[C@@H](C)C1=O ZINC000011568853 132319741 /nfs/dbraw/zinc/31/97/41/132319741.db2.gz GQFLRWXLZNDZAB-VIFPVBQESA-N 0 0 234.299 2.039 10 0 BEAERN CC(=O)CC(=O)N1CCCc2cccc(C)c21 ZINC000019408974 132324554 /nfs/dbraw/zinc/32/45/54/132324554.db2.gz CKLRBNJXPHCQQS-UHFFFAOYSA-N 0 0 231.295 2.253 10 0 BEAERN Cc1ccc(F)cc1N1CCC(=O)CC1 ZINC000019426653 132324802 /nfs/dbraw/zinc/32/48/02/132324802.db2.gz OOQSUUCQCVDLOC-UHFFFAOYSA-N 0 0 207.248 2.303 10 0 BEAERN Cc1ccc(C)c(N2CCC(=O)CC2)c1 ZINC000019436117 132325104 /nfs/dbraw/zinc/32/51/04/132325104.db2.gz VLIJFSCJUZFXMS-UHFFFAOYSA-N 0 0 203.285 2.473 10 0 BEAERN C[C@@H]1CCCCN1c1ccc(C(N)=S)cn1 ZINC000019471820 132325172 /nfs/dbraw/zinc/32/51/72/132325172.db2.gz HQEYZTBUAQXBRD-SECBINFHSA-N 0 0 235.356 2.095 10 0 BEAERN OCCc1ccc(N2CCCCC2)cc1 ZINC000019780369 132327236 /nfs/dbraw/zinc/32/72/36/132327236.db2.gz XHELXZZYSQOSBG-UHFFFAOYSA-N 0 0 205.301 2.212 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N1CCCc2cc(N)ccc21 ZINC000019874395 132328607 /nfs/dbraw/zinc/32/86/07/132328607.db2.gz ASJFCUKZTAHAOV-SKDRFNHKSA-N 0 0 230.311 2.204 10 0 BEAERN C[C@@H]1CN(c2cccc(Cl)c2C=O)CCO1 ZINC000020078966 132329678 /nfs/dbraw/zinc/32/96/78/132329678.db2.gz AVVPFIMSCAKUKO-SECBINFHSA-N 0 0 239.702 2.378 10 0 BEAERN C[C@H]1CN(c2cccc(Cl)c2C=O)CCO1 ZINC000020078968 132329710 /nfs/dbraw/zinc/32/97/10/132329710.db2.gz AVVPFIMSCAKUKO-VIFPVBQESA-N 0 0 239.702 2.378 10 0 BEAERN CN1c2cccnc2N(C)c2nc(C=O)ccc21 ZINC000028100688 132333840 /nfs/dbraw/zinc/33/38/40/132333840.db2.gz QIVKXRMCSPBQPJ-UHFFFAOYSA-N 0 0 240.266 2.138 10 0 BEAERN Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1N ZINC000035082270 132337690 /nfs/dbraw/zinc/33/76/90/132337690.db2.gz UBAVWGNHNORRIO-PHIMTYICSA-N 0 0 220.316 2.191 10 0 BEAERN Nc1ccc2nc(N3CCSCC3)ccc2c1 ZINC000035343225 132338249 /nfs/dbraw/zinc/33/82/49/132338249.db2.gz ZOQNIZOXHHXZFW-UHFFFAOYSA-N 0 0 245.351 2.370 10 0 BEAERN C[C@@H](O)c1ccc(N2CCO[C@@H](C)C2)c(F)c1 ZINC000035631152 132338712 /nfs/dbraw/zinc/33/87/12/132338712.db2.gz OHFYRHJHOGGMEY-VHSXEESVSA-N 0 0 239.290 2.104 10 0 BEAERN COC1CCN(c2ccccc2[C@@H](C)O)CC1 ZINC000035650560 132338920 /nfs/dbraw/zinc/33/89/20/132338920.db2.gz URLCXNNTWXWALS-LLVKDONJSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ccc(N)c3nonc32)C1 ZINC000035675257 132339035 /nfs/dbraw/zinc/33/90/35/132339035.db2.gz DEVDKDDLDNSNAB-RKDXNWHRSA-N 0 0 246.314 2.287 10 0 BEAERN C[C@H]1CCCCN1c1ccc(N)c2nonc21 ZINC000035675201 132339148 /nfs/dbraw/zinc/33/91/48/132339148.db2.gz OSVISYZTMJMLKV-QMMMGPOBSA-N 0 0 232.287 2.184 10 0 BEAERN C[C@@H]1COCCN1c1ccc(N)c2ncccc12 ZINC000035774269 132339179 /nfs/dbraw/zinc/33/91/79/132339179.db2.gz QTLWMOFRNFMATR-SNVBAGLBSA-N 0 0 243.310 2.042 10 0 BEAERN C[C@@H]1COCCN1c1ccc2scnc2c1N ZINC000035774245 132339195 /nfs/dbraw/zinc/33/91/95/132339195.db2.gz WEORDAQEHRVPLS-MRVPVSSYSA-N 0 0 249.339 2.104 10 0 BEAERN C[C@H]1COCCN1c1ccc(N)cc1Cl ZINC000035774429 132339491 /nfs/dbraw/zinc/33/94/91/132339491.db2.gz KVGGIFLBAALOKO-QMMMGPOBSA-N 0 0 226.707 2.147 10 0 BEAERN Cc1cc(N)ccc1N1C[C@@H](C)OC[C@@H]1C ZINC000035783749 132339769 /nfs/dbraw/zinc/33/97/69/132339769.db2.gz YAZNNCQRIDUXCC-WDEREUQCSA-N 0 0 220.316 2.191 10 0 BEAERN Nc1ccc(N2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000036227033 132340906 /nfs/dbraw/zinc/34/09/06/132340906.db2.gz FUAYURRVFGHZJM-SECBINFHSA-N 0 0 240.734 2.131 10 0 BEAERN C[C@H](O)c1ccc(N2CCOC(C)(C)C2)cc1 ZINC000036232830 132341066 /nfs/dbraw/zinc/34/10/66/132341066.db2.gz DFROKZBXGPXELD-NSHDSACASA-N 0 0 235.327 2.355 10 0 BEAERN CC[C@@H]1CN(c2ccccc2[C@@H](C)O)CCO1 ZINC000036770307 132342756 /nfs/dbraw/zinc/34/27/56/132342756.db2.gz JETYLBAOSNJJKR-VXGBXAGGSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1cccc(F)c1N ZINC000037419688 132344452 /nfs/dbraw/zinc/34/44/52/132344452.db2.gz RIGBQWPZPCWICE-BDAKNGLRSA-N 0 0 224.279 2.022 10 0 BEAERN COC1CCN(c2cccc(F)c2N)CC1 ZINC000037419603 132344555 /nfs/dbraw/zinc/34/45/55/132344555.db2.gz YCRYMWKWRDBKRX-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN Nc1cccc2c1CCCN2[C@@H]1CCCC[C@@H]1O ZINC000037906262 132345549 /nfs/dbraw/zinc/34/55/49/132345549.db2.gz VMDXCNHYXSQFQD-CABCVRRESA-N 0 0 246.354 2.325 10 0 BEAERN C[C@H](O)c1ccc(N2CCCC[C@@H]2CO)cc1 ZINC000042432375 132352329 /nfs/dbraw/zinc/35/23/29/132352329.db2.gz NCCPWLXAJNNNLT-SMDDNHRTSA-N 0 0 235.327 2.091 10 0 BEAERN CCC1CCN(c2ccc(N)nc2)CC1 ZINC000042446534 132352339 /nfs/dbraw/zinc/35/23/39/132352339.db2.gz JXTCWHROBCYUBH-UHFFFAOYSA-N 0 0 205.305 2.290 10 0 BEAERN Nc1ccc(Cl)c(N2CCCCC2=O)c1 ZINC000043493310 132353402 /nfs/dbraw/zinc/35/34/02/132353402.db2.gz KULZLSXDHHNXTF-UHFFFAOYSA-N 0 0 224.691 2.439 10 0 BEAERN CCOc1ncccc1N1CCCCC1 ZINC000045805704 132355041 /nfs/dbraw/zinc/35/50/41/132355041.db2.gz BIUJBQJVOZIHAQ-UHFFFAOYSA-N 0 0 206.289 2.471 10 0 BEAERN COc1ccc(OC)c(N2CCC(=O)[C@H](C)C2)c1 ZINC000049693466 132356563 /nfs/dbraw/zinc/35/65/63/132356563.db2.gz FGDBSUHKEULCJI-SNVBAGLBSA-N 0 0 249.310 2.119 10 0 BEAERN COc1cc(OC)cc(N2CCC(=O)C[C@H]2C)c1 ZINC000049707648 132357004 /nfs/dbraw/zinc/35/70/04/132357004.db2.gz RAHBZMCTGUWALN-SNVBAGLBSA-N 0 0 249.310 2.262 10 0 BEAERN C[C@H]1CC(=O)CCN1c1ccc(N(C)C)cc1 ZINC000049711478 132357677 /nfs/dbraw/zinc/35/76/77/132357677.db2.gz HBJWVNVJQXGNBC-NSHDSACASA-N 0 0 232.327 2.310 10 0 BEAERN CC[C@H]1CO[C@@H](C)CN1c1ccc(CO)c(C)c1 ZINC000050583044 132359300 /nfs/dbraw/zinc/35/93/00/132359300.db2.gz WGITZRDXDDMHQI-JSGCOSHPSA-N 0 0 249.354 2.491 10 0 BEAERN Nc1ccc(F)c(F)c1N1CCSCC1 ZINC000053163277 132362816 /nfs/dbraw/zinc/36/28/16/132362816.db2.gz ZZQGHIYSVZECJC-UHFFFAOYSA-N 0 0 230.283 2.100 10 0 BEAERN Cc1ccc(N)cc1N1CCSCC1 ZINC000053734484 132363610 /nfs/dbraw/zinc/36/36/10/132363610.db2.gz KOQBSCUWIZJBGH-UHFFFAOYSA-N 0 0 208.330 2.130 10 0 BEAERN CC(C)CCN1c2ccccc2NCC1=O ZINC000057927328 132366978 /nfs/dbraw/zinc/36/69/78/132366978.db2.gz NNMHMIFMIPMDII-UHFFFAOYSA-N 0 0 218.300 2.491 10 0 BEAERN CC(C)[C@@H](O)c1ccc2c(c1)CCC(=O)N2C ZINC000058112088 132367955 /nfs/dbraw/zinc/36/79/55/132367955.db2.gz YATWDZIKXIPXQA-CQSZACIVSA-N 0 0 233.311 2.285 10 0 BEAERN CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2C ZINC000058112081 132368025 /nfs/dbraw/zinc/36/80/25/132368025.db2.gz GSNPGXNNUGMTNF-GFCCVEGCSA-N 0 0 219.284 2.039 10 0 BEAERN C[C@@H]1[C@@H](C)CCCN1c1ncnc(Cl)c1N ZINC000062364301 132387559 /nfs/dbraw/zinc/38/75/59/132387559.db2.gz XKQOWMRDPCBLNG-JGVFFNPUSA-N 0 0 240.738 2.337 10 0 BEAERN CCC1(CC)CCN(c2ccc(CO)nn2)CC1 ZINC000062955412 132388621 /nfs/dbraw/zinc/38/86/21/132388621.db2.gz LMFHOPYZQROKDW-UHFFFAOYSA-N 0 0 249.358 2.376 10 0 BEAERN Nc1c(Cl)ccnc1N1CCCCC1 ZINC000074378246 132399299 /nfs/dbraw/zinc/39/92/99/132399299.db2.gz SFEUFYUUMPJQHH-UHFFFAOYSA-N 0 0 211.696 2.308 10 0 BEAERN C/C=C\C=C\C(=O)N1CC(=O)Nc2ccccc21 ZINC000095936657 132430586 /nfs/dbraw/zinc/43/05/86/132430586.db2.gz SSBKYOMVPWBUBO-SEEXIRIMSA-N 0 0 242.278 2.104 10 0 BEAERN CC(=O)N1CCNc2cc(Cl)ccc21 ZINC000082373866 132448698 /nfs/dbraw/zinc/44/86/98/132448698.db2.gz BYJMHKKERHSDSR-UHFFFAOYSA-N 0 0 210.664 2.118 10 0 BEAERN Cc1ccc(N2C[C@@H](C)OC[C@@H]2C)cc1N ZINC000061701256 132502366 /nfs/dbraw/zinc/50/23/66/132502366.db2.gz VBDQZPJGZHPWBX-WDEREUQCSA-N 0 0 220.316 2.191 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000408027348 133463742 /nfs/dbraw/zinc/46/37/42/133463742.db2.gz KOOJHNJVHOGPNA-RHYQMDGZSA-N 0 0 240.347 2.042 10 0 BEAERN Cc1nnc(N(C)C2CCC(F)(F)CC2)o1 ZINC000334339139 133623156 /nfs/dbraw/zinc/62/31/56/133623156.db2.gz MAOGMYLCARZGAZ-UHFFFAOYSA-N 0 0 231.246 2.392 10 0 BEAERN CCCN(CC(C)(C)O)C(=O)[C@@H]1CCC[C@@H]1C ZINC000344992038 133711926 /nfs/dbraw/zinc/71/19/26/133711926.db2.gz MAMVVRCALJHFDB-NWDGAFQWSA-N 0 0 241.375 2.432 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCOc2ccncc21 ZINC000335123584 133792063 /nfs/dbraw/zinc/79/20/63/133792063.db2.gz LYTRDPKLBHZTAZ-GHMZBOCLSA-N 0 0 246.310 2.243 10 0 BEAERN CCNC(=O)N1CCC(c2nccs2)CC1 ZINC000335929309 134009828 /nfs/dbraw/zinc/00/98/28/134009828.db2.gz RQMZWLQJKBLPMQ-UHFFFAOYSA-N 0 0 239.344 2.052 10 0 BEAERN C[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@@H](C)O1 ZINC000335938764 134013652 /nfs/dbraw/zinc/01/36/52/134013652.db2.gz VARGIOAGLWSUIP-NXEZZACHSA-N 0 0 249.310 2.018 10 0 BEAERN COc1ccc(O)c(C(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000335944081 134018771 /nfs/dbraw/zinc/01/87/71/134018771.db2.gz MERCDMOYNNOJLP-SKDRFNHKSA-N 0 0 247.294 2.025 10 0 BEAERN Cc1cc(C(=O)N2C[C@H]3CCC[C@H]32)ccc1O ZINC000335968056 134028857 /nfs/dbraw/zinc/02/88/57/134028857.db2.gz JJYYUPLQHQZSJQ-VXGBXAGGSA-N 0 0 231.295 2.325 10 0 BEAERN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]32)ccc1O ZINC000335968053 134028886 /nfs/dbraw/zinc/02/88/86/134028886.db2.gz JJYYUPLQHQZSJQ-NEPJUHHUSA-N 0 0 231.295 2.325 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOc2ncccc21 ZINC000335985400 134038780 /nfs/dbraw/zinc/03/87/80/134038780.db2.gz PNEGEEYRIDGZRP-MNOVXSKESA-N 0 0 246.310 2.243 10 0 BEAERN C[C@H]1CC(CNC(=O)NC2CCC2)C[C@H](C)O1 ZINC000335987798 134039463 /nfs/dbraw/zinc/03/94/63/134039463.db2.gz GRDWQKCHAJVKLN-UWVGGRQHSA-N 0 0 240.347 2.042 10 0 BEAERN Cc1cnc(NC(=O)N2C[C@H]3CCC[C@@H]32)s1 ZINC000335998300 134043226 /nfs/dbraw/zinc/04/32/26/134043226.db2.gz WUXFVXZJEUPJIQ-BDAKNGLRSA-N 0 0 237.328 2.468 10 0 BEAERN CC1(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000336110475 134086563 /nfs/dbraw/zinc/08/65/63/134086563.db2.gz MVOVOHUVXLYJDF-VXGBXAGGSA-N 0 0 237.343 2.347 10 0 BEAERN CC(C)[C@H]1N(C(=O)C(C)(C)C)C[C@]12CCCO2 ZINC000336169518 134114254 /nfs/dbraw/zinc/11/42/54/134114254.db2.gz WDFXBOPFDSTBEC-BXUZGUMPSA-N 0 0 239.359 2.449 10 0 BEAERN Cc1nc([C@H](C)NC(=O)c2ccncc2)cs1 ZINC000170497084 134254362 /nfs/dbraw/zinc/25/43/62/134254362.db2.gz LVUDEBYCTNYHEX-QMMMGPOBSA-N 0 0 247.323 2.338 10 0 BEAERN O[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccco1 ZINC000172067944 134261466 /nfs/dbraw/zinc/26/14/66/134261466.db2.gz WAJSTJLIJDYLQW-KGLIPLIRSA-N 0 0 229.279 2.028 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172384054 134265552 /nfs/dbraw/zinc/26/55/52/134265552.db2.gz KWMMYHBLNSKVTP-LLVKDONJSA-N 0 0 249.358 2.408 10 0 BEAERN CC(C)[C@H](C)NC(=O)CCC1CCOCC1 ZINC000173234540 134273313 /nfs/dbraw/zinc/27/33/13/134273313.db2.gz HTXCBZMVGMJDAP-NSHDSACASA-N 0 0 227.348 2.354 10 0 BEAERN Cc1nccnc1[C@@H](C)NCc1cscn1 ZINC000219123554 134274445 /nfs/dbraw/zinc/27/44/45/134274445.db2.gz QUPUXTLBOIZLCM-SECBINFHSA-N 0 0 234.328 2.092 10 0 BEAERN C[C@H]1CN(C(=O)NCC2(C)CCC2)CCS1 ZINC000176624255 134293124 /nfs/dbraw/zinc/29/31/24/134293124.db2.gz QAQQNYWATUCVMS-JTQLQIEISA-N 0 0 242.388 2.324 10 0 BEAERN CCC(CC)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176974528 134295424 /nfs/dbraw/zinc/29/54/24/134295424.db2.gz XVVVAOLIFXSLFZ-ZDUSSCGKSA-N 0 0 240.391 2.365 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177148414 134295583 /nfs/dbraw/zinc/29/55/83/134295583.db2.gz RGLDUUSQTSKELY-DGCLKSJQSA-N 0 0 249.358 2.229 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCCC2CCCC2)O1 ZINC000178013441 134302644 /nfs/dbraw/zinc/30/26/44/134302644.db2.gz MZJBFUGPKSBRPN-ZYHUDNBSSA-N 0 0 225.332 2.250 10 0 BEAERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)COC ZINC000178049504 134302735 /nfs/dbraw/zinc/30/27/35/134302735.db2.gz VUHGLKCIVZKKNP-HBNTYKKESA-N 0 0 245.388 2.059 10 0 BEAERN CC(C)CCCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000178036240 134302812 /nfs/dbraw/zinc/30/28/12/134302812.db2.gz GEJRAUAWZCZDCD-MNOVXSKESA-N 0 0 213.321 2.106 10 0 BEAERN Cc1nccn1C[C@@H]1CCCN1CC(F)(F)F ZINC000178322398 134308239 /nfs/dbraw/zinc/30/82/39/134308239.db2.gz WGAIEZSCYVRYRP-JTQLQIEISA-N 0 0 247.264 2.218 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@@H]2CCCCO2)o1 ZINC000220921436 134315172 /nfs/dbraw/zinc/31/51/72/134315172.db2.gz FEETVVHPCHFIKZ-MNOVXSKESA-N 0 0 224.304 2.203 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@H]2CCCCO2)o1 ZINC000220921550 134315313 /nfs/dbraw/zinc/31/53/13/134315313.db2.gz FEETVVHPCHFIKZ-GHMZBOCLSA-N 0 0 224.304 2.203 10 0 BEAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccoc1 ZINC000181257060 134334501 /nfs/dbraw/zinc/33/45/01/134334501.db2.gz NWJNSSWQGWGYKT-JOYOIKCWSA-N 0 0 246.314 2.365 10 0 BEAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccoc1 ZINC000181257087 134334580 /nfs/dbraw/zinc/33/45/80/134334580.db2.gz NWJNSSWQGWGYKT-BXKDBHETSA-N 0 0 246.314 2.365 10 0 BEAERN Cc1oncc1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000181682749 134338490 /nfs/dbraw/zinc/33/84/90/134338490.db2.gz RVCQQBVZAMFDAI-CYBMUJFWSA-N 0 0 246.314 2.054 10 0 BEAERN COCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183450436 134351452 /nfs/dbraw/zinc/35/14/52/134351452.db2.gz VEHVLTMSLDRJQW-MNOVXSKESA-N 0 0 227.348 2.211 10 0 BEAERN CC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000225673087 134356598 /nfs/dbraw/zinc/35/65/98/134356598.db2.gz AYOIFRBYVXJBQB-QWRGUYRKSA-N 0 0 227.348 2.090 10 0 BEAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccsc1 ZINC000225650207 134356656 /nfs/dbraw/zinc/35/66/56/134356656.db2.gz MIBKEUIOIAZUCA-ONGXEEELSA-N 0 0 239.340 2.029 10 0 BEAERN O=C(CC1CCCC1)N[C@@H]1CCCC[C@H]1CO ZINC000225673304 134356765 /nfs/dbraw/zinc/35/67/65/134356765.db2.gz CBZLACUOPCFDTC-QWHCGFSZSA-N 0 0 239.359 2.234 10 0 BEAERN O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCC[C@@H]1CO ZINC000225671475 134356774 /nfs/dbraw/zinc/35/67/74/134356774.db2.gz YVDHBHGMXHMYKJ-JHJVBQTASA-N 0 0 237.343 2.010 10 0 BEAERN C[C@@H](CCO)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184211760 134359683 /nfs/dbraw/zinc/35/96/83/134359683.db2.gz AWWJXBYJMRJJNH-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN O[C@H]1CCOc2c(N[C@@H]3CCCOC3)cccc21 ZINC000184572030 134363515 /nfs/dbraw/zinc/36/35/15/134363515.db2.gz BLVUZCFQJODODK-MFKMUULPSA-N 0 0 249.310 2.093 10 0 BEAERN CCCCNC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000226535886 134364293 /nfs/dbraw/zinc/36/42/93/134364293.db2.gz MBSDNXSTPVSEMD-VIFPVBQESA-N 0 0 225.292 2.143 10 0 BEAERN CCCC[N@@H+]1CC[C@H](CC(=O)[O-])[C@@H](C)C1 ZINC000226859030 134370181 /nfs/dbraw/zinc/37/01/81/134370181.db2.gz HIQZWFQQPUSNTI-WDEREUQCSA-N 0 0 213.321 2.219 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N(C)CCCCCO ZINC000227097567 134374768 /nfs/dbraw/zinc/37/47/68/134374768.db2.gz CHBWXQRPDGFJNG-NWDGAFQWSA-N 0 0 227.348 2.044 10 0 BEAERN Cc1cncc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000227301354 134377773 /nfs/dbraw/zinc/37/77/73/134377773.db2.gz NBWKPSRZSMOQFQ-AWEZNQCLSA-N 0 0 234.343 2.127 10 0 BEAERN CCC1CCC(NC(=O)NCC(C)(C)O)CC1 ZINC000408103148 134392380 /nfs/dbraw/zinc/39/23/80/134392380.db2.gz LJKWXZKUUNMJSR-UHFFFAOYSA-N 0 0 242.363 2.025 10 0 BEAERN Cc1cnc(CN[C@H](C)c2cncc(F)c2)o1 ZINC000228578913 134415080 /nfs/dbraw/zinc/41/50/80/134415080.db2.gz JWBRLZZRSPAXEU-SECBINFHSA-N 0 0 235.262 2.368 10 0 BEAERN CCC[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000151033542 134460430 /nfs/dbraw/zinc/46/04/30/134460430.db2.gz LXVPTIALBUMATL-XQQFMLRXSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000230174161 134486163 /nfs/dbraw/zinc/48/61/63/134486163.db2.gz VLSUCCPBWCLRND-BXUZGUMPSA-N 0 0 247.338 2.231 10 0 BEAERN Cc1cnc([C@H](C)NCc2nc(C)c(C)o2)o1 ZINC000230645381 134516360 /nfs/dbraw/zinc/51/63/60/134516360.db2.gz VGXIHGOIXIREJK-VIFPVBQESA-N 0 0 235.287 2.439 10 0 BEAERN Cc1cc(C(=O)Nc2ccc3c(c2)CCN3)on1 ZINC000063187873 134538135 /nfs/dbraw/zinc/53/81/35/134538135.db2.gz LXIJGBYJQLJSTI-UHFFFAOYSA-N 0 0 243.266 2.203 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)C1CCCC1 ZINC000191804542 134576789 /nfs/dbraw/zinc/57/67/89/134576789.db2.gz IVUYQUSRXMMGFW-GVXVVHGQSA-N 0 0 239.359 2.496 10 0 BEAERN CNC(=O)CNc1cc(Cl)c(C)cc1Cl ZINC000132136313 134642554 /nfs/dbraw/zinc/64/25/54/134642554.db2.gz MJVNWTWXTBDEAZ-UHFFFAOYSA-N 0 0 247.125 2.460 10 0 BEAERN COCC(=O)N(c1ccc(F)cc1)C(C)C ZINC000132111235 134642868 /nfs/dbraw/zinc/64/28/68/134642868.db2.gz KSYQISLOWXLXDJ-UHFFFAOYSA-N 0 0 225.263 2.214 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@H]2CCCO)c1 ZINC000052758639 134710511 /nfs/dbraw/zinc/71/05/11/134710511.db2.gz QBTBXLBBYZEZAI-AWEZNQCLSA-N 0 0 247.338 2.372 10 0 BEAERN Cc1ccc([C@H]2CN(Cc3ccon3)CCO2)o1 ZINC000158936345 134757333 /nfs/dbraw/zinc/75/73/33/134757333.db2.gz ZDOKSLKZORZXLH-CYBMUJFWSA-N 0 0 248.282 2.150 10 0 BEAERN Cc1ccoc1C(=O)N[C@@H]1COc2ccccc21 ZINC000058727582 134788499 /nfs/dbraw/zinc/78/84/99/134788499.db2.gz ZYDAVWHNAPLBRB-LLVKDONJSA-N 0 0 243.262 2.452 10 0 BEAERN CC(C)OCCCNC(=O)N[C@H](C)C(C)C ZINC000060954289 134795843 /nfs/dbraw/zinc/79/58/43/134795843.db2.gz AZXDFWCBQKGAKD-LLVKDONJSA-N 0 0 230.352 2.145 10 0 BEAERN Cc1ccc2c(c1)C(=O)C(=O)N2CC(C)C ZINC000005234393 134802769 /nfs/dbraw/zinc/80/27/69/134802769.db2.gz SOZIJKOVVVLFCC-UHFFFAOYSA-N 0 0 217.268 2.180 10 0 BEAERN CC(=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555098 134808197 /nfs/dbraw/zinc/80/81/97/134808197.db2.gz CAGHYNPIKQTVHY-CYBMUJFWSA-N 0 0 233.311 2.324 10 0 BEAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]2C)CCO1 ZINC000245645056 134861644 /nfs/dbraw/zinc/86/16/44/134861644.db2.gz BICCCAUKZFOVAP-KKOKHZNYSA-N 0 0 225.332 2.106 10 0 BEAERN Cc1nn(C(C)(C)C)c(Cl)c1CO ZINC000036930225 134871305 /nfs/dbraw/zinc/87/13/05/134871305.db2.gz WMOOKAHOBFDBRK-UHFFFAOYSA-N 0 0 202.685 2.092 10 0 BEAERN CCSCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000245945671 134873048 /nfs/dbraw/zinc/87/30/48/134873048.db2.gz AAKFDNRFQHSTMO-HBNTYKKESA-N 0 0 245.388 2.202 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246100696 134876589 /nfs/dbraw/zinc/87/65/89/134876589.db2.gz WJDDLJRYEYNMOR-VLEAKVRGSA-N 0 0 213.321 2.105 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000246178494 134879013 /nfs/dbraw/zinc/87/90/13/134879013.db2.gz FQZJVLDLUNIJJD-ADEWGFFLSA-N 0 0 246.310 2.218 10 0 BEAERN CCN(CC1CC1)C(=O)N[C@H](C)C(C)C ZINC000070057810 134908106 /nfs/dbraw/zinc/90/81/06/134908106.db2.gz VBFGVEMDFIXRFE-SNVBAGLBSA-N 0 0 212.337 2.472 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)OCC1CC1 ZINC000184409597 134926746 /nfs/dbraw/zinc/92/67/46/134926746.db2.gz KMFPOJMDLMHFQB-LLVKDONJSA-N 0 0 233.267 2.256 10 0 BEAERN CCn1cc(C(=O)N[C@@H](C)c2ccc(C)o2)cn1 ZINC000074693012 134947128 /nfs/dbraw/zinc/94/71/28/134947128.db2.gz HQXMVJUSJYMLRT-JTQLQIEISA-N 0 0 247.298 2.295 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000246551224 134955190 /nfs/dbraw/zinc/95/51/90/134955190.db2.gz CWDPJNUXAIOYDN-DMDPSCGWSA-N 0 0 217.312 2.390 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000247096492 134971218 /nfs/dbraw/zinc/97/12/18/134971218.db2.gz WUSXSLUYDGKIEN-USWWRNFRSA-N 0 0 233.315 2.119 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)CCO2)o1 ZINC000247162513 134973806 /nfs/dbraw/zinc/97/38/06/134973806.db2.gz XQSTWUZGQYXJCA-XWIASGKRSA-N 0 0 249.310 2.144 10 0 BEAERN C[C@H]1CC[C@H](C)N(Cc2nnc(C3CC3)n2C)C1 ZINC000076148934 135013831 /nfs/dbraw/zinc/01/38/31/135013831.db2.gz SUZDUGZKJKLUCI-QWRGUYRKSA-N 0 0 248.374 2.313 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccncc2)o1 ZINC000230641963 135021058 /nfs/dbraw/zinc/02/10/58/135021058.db2.gz VRAILVOEZCXPPY-SNVBAGLBSA-N 0 0 217.272 2.229 10 0 BEAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000248807561 135021880 /nfs/dbraw/zinc/02/18/80/135021880.db2.gz BOCXACXCZGFZOF-RNJOBUHISA-N 0 0 239.359 2.306 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000249205119 135035828 /nfs/dbraw/zinc/03/58/28/135035828.db2.gz BNDISVYHWVRAML-TUAOUCFPSA-N 0 0 223.316 2.026 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000250741717 135058440 /nfs/dbraw/zinc/05/84/40/135058440.db2.gz PYHDQMBJSZOOLQ-FRRDWIJNSA-N 0 0 239.359 2.450 10 0 BEAERN CC[C@H](C)CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000253281103 135125411 /nfs/dbraw/zinc/12/54/11/135125411.db2.gz WLCFAZPTAZLJRT-HBNTYKKESA-N 0 0 213.321 2.106 10 0 BEAERN CC[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000253279858 135125747 /nfs/dbraw/zinc/12/57/47/135125747.db2.gz SYBXTUGXYCDFNX-XQQFMLRXSA-N 0 0 239.359 2.450 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000253351455 135125916 /nfs/dbraw/zinc/12/59/16/135125916.db2.gz KGAIZOFHUDAVQA-VOAKCMCISA-N 0 0 239.359 2.449 10 0 BEAERN Cc1ccsc1C(=O)N1CC(=O)CC1(C)C ZINC000259064375 135136509 /nfs/dbraw/zinc/13/65/09/135136509.db2.gz NRCSNYVCTBGPOK-UHFFFAOYSA-N 0 0 237.324 2.250 10 0 BEAERN c1csc(CN2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000269679933 135166651 /nfs/dbraw/zinc/16/66/51/135166651.db2.gz TXDRZVSTRHMXGQ-GHMZBOCLSA-N 0 0 238.356 2.287 10 0 BEAERN Cc1nc(NC[C@@H]2CCC[C@@H]2O)sc1C ZINC000084234160 135193815 /nfs/dbraw/zinc/19/38/15/135193815.db2.gz CZZOXQBHEMEXNK-UWVGGRQHSA-N 0 0 226.345 2.333 10 0 BEAERN CCC(CC)(CC)C[NH+]1CC(C(=O)[O-])C1 ZINC000262948150 135325128 /nfs/dbraw/zinc/32/51/28/135325128.db2.gz CATOBFWBUHPCEE-UHFFFAOYSA-N 0 0 213.321 2.219 10 0 BEAERN CCC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(=O)[O-] ZINC000263415354 135353133 /nfs/dbraw/zinc/35/31/33/135353133.db2.gz MYVDEIAZUUOZLB-AXFHLTTASA-N 0 0 213.321 2.264 10 0 BEAERN Cc1coc(C)c1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000334382326 135380848 /nfs/dbraw/zinc/38/08/48/135380848.db2.gz KGVWBQQSZFSNLF-AOOOYVTPSA-N 0 0 237.299 2.146 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)[C@H]1CCCn2ccnc21 ZINC000081724062 135388384 /nfs/dbraw/zinc/38/83/84/135388384.db2.gz SGHLAPXHVKKPFL-JQWIXIFHSA-N 0 0 247.342 2.065 10 0 BEAERN O=C(Nc1ccsc1)[C@H]1CCCn2ccnc21 ZINC000081757261 135389928 /nfs/dbraw/zinc/38/99/28/135389928.db2.gz WMIKBISQYQBGQA-JTQLQIEISA-N 0 0 247.323 2.461 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)C1=CCCCCC1 ZINC000334426492 135397913 /nfs/dbraw/zinc/39/79/13/135397913.db2.gz YXCLNYJHTQQTDI-ZYHUDNBSSA-N 0 0 223.316 2.171 10 0 BEAERN Cc1cscc1C(=O)Nc1ccc(N)nc1 ZINC000086816260 135496914 /nfs/dbraw/zinc/49/69/14/135496914.db2.gz GDNYINWFNMHBON-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(Cl)nc(N)n1 ZINC000231662220 135626620 /nfs/dbraw/zinc/62/66/20/135626620.db2.gz UZUJXAPCJHLXJM-BQBZGAKWSA-N 0 0 226.711 2.313 10 0 BEAERN O=C(NC1CCCC1)N1C[C@H]2CCC[C@@H]21 ZINC000334834316 135818091 /nfs/dbraw/zinc/81/80/91/135818091.db2.gz MSOGYLFUVCKZDA-KOLCDFICSA-N 0 0 208.305 2.123 10 0 BEAERN C[C@H]1CC[C@H](n2cnc3c(c2=O)CCCC3)C1 ZINC000334968535 135853254 /nfs/dbraw/zinc/85/32/54/135853254.db2.gz RRRSYTYJPMTLEW-QWRGUYRKSA-N 0 0 232.327 2.483 10 0 BEAERN C[C@H]1CC[C@H](n2ccc(=O)c3cnn(C)c32)C1 ZINC000334971210 135854094 /nfs/dbraw/zinc/85/40/94/135854094.db2.gz YDOXODOSDCBVPH-UWVGGRQHSA-N 0 0 231.299 2.096 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)c(C)n1 ZINC000335145019 135911711 /nfs/dbraw/zinc/91/17/11/135911711.db2.gz ZOONVQYZFZEKFQ-WCQYABFASA-N 0 0 230.311 2.323 10 0 BEAERN Cc1cncc(=O)n1[C@@H]1CCC(C)(C)C1 ZINC000335284733 136002194 /nfs/dbraw/zinc/00/21/94/136002194.db2.gz BSVVWZRXMVQABX-SNVBAGLBSA-N 0 0 206.289 2.303 10 0 BEAERN O=C(c1ccccc1F)N1C[C@@H]2CCC[C@@H]21 ZINC000335306412 136026258 /nfs/dbraw/zinc/02/62/58/136026258.db2.gz ROSICIAFPFDZMF-CABZTGNLSA-N 0 0 219.259 2.450 10 0 BEAERN O=C(c1ccccc1F)N1C[C@@H]2CCC[C@H]21 ZINC000335306416 136026538 /nfs/dbraw/zinc/02/65/38/136026538.db2.gz ROSICIAFPFDZMF-JOYOIKCWSA-N 0 0 219.259 2.450 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cc(C)n(C)n2)o1 ZINC000348217225 136046753 /nfs/dbraw/zinc/04/67/53/136046753.db2.gz FUDIRLPCBRRQIZ-LLVKDONJSA-N 0 0 233.315 2.481 10 0 BEAERN CC(C)CN(C)C(=O)c1nc(N)ccc1Cl ZINC000050701272 166938239 /nfs/dbraw/zinc/93/82/39/166938239.db2.gz NAYQFUFUCIQMKT-UHFFFAOYSA-N 0 0 241.722 2.045 10 0 BEAERN CCOC(=O)c1cc(C)c(C)cc1OC ZINC000259272490 397880181 /nfs/dbraw/zinc/88/01/81/397880181.db2.gz OVLZOOPIVJSVBA-UHFFFAOYSA-N 0 0 208.257 2.489 10 0 BEAERN O=C1CN(Cc2ccccc2)c2cnccc2N1 ZINC000575461954 397942950 /nfs/dbraw/zinc/94/29/50/397942950.db2.gz KLBDXQWBAAYKTP-UHFFFAOYSA-N 0 0 239.278 2.040 10 0 BEAERN Cc1nnc(Cl)n1C1CC(F)(F)C1 ZINC000575460584 397944195 /nfs/dbraw/zinc/94/41/95/397944195.db2.gz GZLWBACIVSZFRN-UHFFFAOYSA-N 0 0 207.611 2.210 10 0 BEAERN CCNc1ncc(Br)cc1OC ZINC000307003525 397966547 /nfs/dbraw/zinc/96/65/47/397966547.db2.gz DIIGXEVJWWCRAK-UHFFFAOYSA-N 0 0 231.093 2.285 10 0 BEAERN Nc1cc(Cl)ccc1NC1CSC1 ZINC000575460994 397945302 /nfs/dbraw/zinc/94/53/02/397945302.db2.gz MAUXGXVPTXQOLZ-UHFFFAOYSA-N 0 0 214.721 2.450 10 0 BEAERN Cc1ncc(-c2cc[nH]c(=S)n2)s1 ZINC000575463852 397946537 /nfs/dbraw/zinc/94/65/37/397946537.db2.gz IWEIOCYLAYGFHO-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN COC(=O)c1cccnc1C[N@H+](C)C1CCCC1 ZINC000302254118 397909747 /nfs/dbraw/zinc/90/97/47/397909747.db2.gz AQAULJSLGJYZDI-UHFFFAOYSA-N 0 0 248.326 2.243 10 0 BEAERN Nc1cc(-c2cc3scnc3[nH]2)ccn1 ZINC000198526163 397925679 /nfs/dbraw/zinc/92/56/79/397925679.db2.gz BHZQYTGTBVLWTH-UHFFFAOYSA-N 0 0 216.269 2.269 10 0 BEAERN CC[C@H](O)[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000307154261 397990219 /nfs/dbraw/zinc/99/02/19/397990219.db2.gz KSGNQIUIBVSSFF-CSMHCCOUSA-N 0 0 212.211 2.115 10 0 BEAERN CC(C)(C)c1nc2cnc(Cl)cc2c(=O)[nH]1 ZINC000205066288 397997118 /nfs/dbraw/zinc/99/71/18/397997118.db2.gz JGAAKUKAQYPRTA-UHFFFAOYSA-N 0 0 237.690 2.269 10 0 BEAERN O=C1CCC[C@@H](S[C@@H]2CCOC2)C1 ZINC000575595237 398007693 /nfs/dbraw/zinc/00/76/93/398007693.db2.gz YLMHBXKPISQTEI-NXEZZACHSA-N 0 0 200.303 2.020 10 0 BEAERN N#CNc1cc(Br)cnc1Cl ZINC000575596024 398008406 /nfs/dbraw/zinc/00/84/06/398008406.db2.gz DQKDJRKFYGLDOX-UHFFFAOYSA-N 0 0 232.468 2.390 10 0 BEAERN O[C@@H](CCOCc1ccccc1)C1=CCCO1 ZINC000307265140 398046842 /nfs/dbraw/zinc/04/68/42/398046842.db2.gz BFXACPAQKPOUQL-ZDUSSCGKSA-N 0 0 234.295 2.258 10 0 BEAERN Brc1nnc([C@@H]2CC23CC3)o1 ZINC000575597657 398012372 /nfs/dbraw/zinc/01/23/72/398012372.db2.gz OOMVXOGHEKGYIM-BYPYZUCNSA-N 0 0 215.050 2.100 10 0 BEAERN CCOC(=O)c1c(F)ccc(C)c1OC ZINC000260118450 398047113 /nfs/dbraw/zinc/04/71/13/398047113.db2.gz PWPMIYWPLHHTRV-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN C[C@@H]1CN(c2ccc(Br)nn2)[C@@H]1C ZINC000575599443 398019044 /nfs/dbraw/zinc/01/90/44/398019044.db2.gz FZQYXGNCEOIIEH-RNFRBKRXSA-N 0 0 242.120 2.084 10 0 BEAERN COc1cc(C)c(C#N)c(OC(F)F)c1 ZINC000575639943 398038270 /nfs/dbraw/zinc/03/82/70/398038270.db2.gz DGVUJOGOHFUHBZ-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)/C=C\c1ccccc1 ZINC000255133161 398042347 /nfs/dbraw/zinc/04/23/47/398042347.db2.gz VGDNLLUBPDSOED-WACGGTQYSA-N 0 0 245.322 2.336 10 0 BEAERN CCOC(=O)c1cc(CC)cc(N)c1OC ZINC000260106128 398042941 /nfs/dbraw/zinc/04/29/41/398042941.db2.gz OZJIPMKSTNTQKL-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN COC(=O)c1cc2c3ccccc3n(C)c2[nH]1 ZINC000259676429 397981977 /nfs/dbraw/zinc/98/19/77/397981977.db2.gz KXNVLGAKOXQCEV-UHFFFAOYSA-N 0 0 228.251 2.446 10 0 BEAERN C[C@@H](CF)Nc1ncc(N)cc1Cl ZINC000575582256 397983511 /nfs/dbraw/zinc/98/35/11/397983511.db2.gz DFYZQZMANCICQN-YFKPBYRVSA-N 0 0 203.648 2.087 10 0 BEAERN CCOC(=O)CCCOc1ccccc1OC ZINC000141205967 397983582 /nfs/dbraw/zinc/98/35/82/397983582.db2.gz GYCWHGPGUBUHGG-UHFFFAOYSA-N 0 0 238.283 2.417 10 0 BEAERN CC1(C)OC[C@H](CCC(F)(F)F)[C@H]1O ZINC000307134174 397986466 /nfs/dbraw/zinc/98/64/66/397986466.db2.gz ZZFAFZGPYORFQN-NKWVEPMBSA-N 0 0 212.211 2.115 10 0 BEAERN CC1(C)OC[C@@H](CCC(F)(F)F)[C@H]1O ZINC000307134175 397986510 /nfs/dbraw/zinc/98/65/10/397986510.db2.gz ZZFAFZGPYORFQN-RNFRBKRXSA-N 0 0 212.211 2.115 10 0 BEAERN CCO[C@@](O)(c1ccccc1)C(F)(F)F ZINC000584613984 398078144 /nfs/dbraw/zinc/07/81/44/398078144.db2.gz SLSJTRPOSLQIMF-VIFPVBQESA-N 0 0 220.190 2.431 10 0 BEAERN CC(C)=C[C@@]1(C)O[C@@H]1C(=O)OC(C)(C)C ZINC000584658076 398081913 /nfs/dbraw/zinc/08/19/13/398081913.db2.gz LDLAKGBXPMPOFQ-BXKDBHETSA-N 0 0 212.289 2.452 10 0 BEAERN CC(=O)O[C@@H]1C=C[C@H]2OCCC[C@H]2CC1 ZINC000584658143 398081921 /nfs/dbraw/zinc/08/19/21/398081921.db2.gz OKMPUSRTFWNZKU-SDDRHHMPSA-N 0 0 210.273 2.063 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(OC)c1C ZINC000260297844 398084205 /nfs/dbraw/zinc/08/42/05/398084205.db2.gz JEFRLYQSYBZOOZ-UHFFFAOYSA-N 0 0 228.675 2.373 10 0 BEAERN C[C@H]1CCCCC[C@H]1N(C)C(N)=S ZINC000575490188 398054238 /nfs/dbraw/zinc/05/42/38/398054238.db2.gz YYVXRXVGYCXJLE-DTWKUNHWSA-N 0 0 200.351 2.131 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000049999208 398119447 /nfs/dbraw/zinc/11/94/47/398119447.db2.gz XPHUWNQKMGMANK-LBPRGKRZSA-N 0 0 234.299 2.329 10 0 BEAERN CCOC(=O)c1cc(OC)c(F)cc1OC ZINC000261063482 398119987 /nfs/dbraw/zinc/11/99/87/398119987.db2.gz NEHVIGCWIJLZMS-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN COCc1nc(C(C)(C)C)sc1N ZINC000306217689 398130244 /nfs/dbraw/zinc/13/02/44/398130244.db2.gz QPEMSDQBXGRJBU-UHFFFAOYSA-N 0 0 200.307 2.169 10 0 BEAERN CC(C)CNc1nc(-c2ccccn2)no1 ZINC000053751026 167018854 /nfs/dbraw/zinc/01/88/54/167018854.db2.gz MWDQFBCWGXSRIY-UHFFFAOYSA-N 0 0 218.260 2.200 10 0 BEAERN CC(C)COC(=O)CCC(=O)OCC(C)C ZINC000001845564 167020157 /nfs/dbraw/zinc/02/01/57/167020157.db2.gz QCOAPBRVQHMEPF-UHFFFAOYSA-N 0 0 230.304 2.165 10 0 BEAERN COc1ccc(N)c(Br)c1F ZINC000299889237 175136775 /nfs/dbraw/zinc/13/67/75/175136775.db2.gz GIUANCCLMCJEGY-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN COc1cccc(CNC(F)(F)F)c1 ZINC000095076412 175262876 /nfs/dbraw/zinc/26/28/76/175262876.db2.gz QTDOROAAHJYZHJ-UHFFFAOYSA-N 0 0 205.179 2.305 10 0 BEAERN CC(C)[NH2+][C@@](C)(CCc1ccccc1)C(=O)[O-] ZINC000037183047 167137013 /nfs/dbraw/zinc/13/70/13/167137013.db2.gz VWUROCVDRBMYRX-AWEZNQCLSA-N 0 0 235.327 2.461 10 0 BEAERN CC[C@H]([NH2+]Cc1cncs1)[C@H]1CCCO1 ZINC000119665309 487559953 /nfs/dbraw/zinc/55/99/53/487559953.db2.gz REQYKAASJGJMEG-WDEREUQCSA-N 0 0 226.345 2.190 10 0 BEAERN CC(C)OC(=O)CCc1ccccc1O ZINC000075616172 167160110 /nfs/dbraw/zinc/16/01/10/167160110.db2.gz IQBWGLVQMBGFBF-UHFFFAOYSA-N 0 0 208.257 2.276 10 0 BEAERN Cc1csc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1 ZINC000077103005 487578458 /nfs/dbraw/zinc/57/84/58/487578458.db2.gz KMBBFQSQCHRCMA-ZJUUUORDSA-N 0 0 239.340 2.090 10 0 BEAERN CC(=O)NSc1nc2ccccc2s1 ZINC000045237558 322912091 /nfs/dbraw/zinc/91/20/91/322912091.db2.gz CPMGCOQDXXAFCB-UHFFFAOYSA-N 0 0 224.310 2.440 10 0 BEAERN CC(C)OCc1cccc(C(N)=S)c1 ZINC000019432122 167271404 /nfs/dbraw/zinc/27/14/04/167271404.db2.gz KYTIQXSXTGBVCZ-UHFFFAOYSA-N 0 0 209.314 2.246 10 0 BEAERN CC(C)Oc1nc(N2CCC[C@H]2C)ccc1N ZINC000037910023 167312699 /nfs/dbraw/zinc/31/26/99/167312699.db2.gz UXQANEJTISBUPW-SNVBAGLBSA-N 0 0 235.331 2.440 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000103385324 487610918 /nfs/dbraw/zinc/61/09/18/487610918.db2.gz CTXNAOCBVBYLPE-GRYCIOLGSA-N 0 0 227.348 2.211 10 0 BEAERN Nc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000040516841 409825110 /nfs/dbraw/zinc/82/51/10/409825110.db2.gz LWTSDLZQJWUHMC-UHFFFAOYSA-N 0 0 249.142 2.150 10 0 BEAERN CC(=O)N1CCC[C@H](C(F)(F)F)CC1 ZINC000616626939 409876103 /nfs/dbraw/zinc/87/61/03/409876103.db2.gz ADFYPCWDCPXYHP-QMMMGPOBSA-N 0 0 209.211 2.197 10 0 BEAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)CCCCO ZINC000215247997 409902789 /nfs/dbraw/zinc/90/27/89/409902789.db2.gz ZZEQYTXKWDYZNU-CHWSQXEVSA-N 0 0 241.375 2.480 10 0 BEAERN CC(C)Sc1cc(C(N)=O)c(N)cc1F ZINC000050036097 167335524 /nfs/dbraw/zinc/33/55/24/167335524.db2.gz WTRGSGKZLHESNI-UHFFFAOYSA-N 0 0 228.292 2.007 10 0 BEAERN Brc1cncc(-c2cncnc2)c1 ZINC000072192776 166104693 /nfs/dbraw/zinc/10/46/93/166104693.db2.gz FUWJJFBXYALDGB-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cccc([C@H]2CCOC2)n1 ZINC000044121926 166100725 /nfs/dbraw/zinc/10/07/25/166100725.db2.gz CVZVBHZEUCVHTN-ZETCQYMHSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1cncc(OC2CCC2)n1 ZINC000044120069 166104853 /nfs/dbraw/zinc/10/48/53/166104853.db2.gz WKKIZSXQRORSDC-UHFFFAOYSA-N 0 0 229.077 2.170 10 0 BEAERN Brc1cn(-c2ccco2)cn1 ZINC000072193496 166104126 /nfs/dbraw/zinc/10/41/26/166104126.db2.gz OZTYWJBQCWBODR-UHFFFAOYSA-N 0 0 213.034 2.228 10 0 BEAERN Brc1cn(C2CCC2)cn1 ZINC000072193490 166104191 /nfs/dbraw/zinc/10/41/91/166104191.db2.gz MPNGEZZHPIVPOO-UHFFFAOYSA-N 0 0 201.067 2.371 10 0 BEAERN Brc1cnc(-c2ccccn2)nc1 ZINC000072192010 166104661 /nfs/dbraw/zinc/10/46/61/166104661.db2.gz UZDQWRMXMWSAQP-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1cnncc1Br ZINC000026459848 166105728 /nfs/dbraw/zinc/10/57/28/166105728.db2.gz JKXWYINFVKOAIC-UHFFFAOYSA-N 0 0 237.882 2.002 10 0 BEAERN CCCc1nccnc1N1CCC[C@H]1C[C@@H](C)O ZINC000663742959 410322774 /nfs/dbraw/zinc/32/27/74/410322774.db2.gz YPHSFBCLXYQSBQ-NEPJUHHUSA-N 0 0 249.358 2.169 10 0 BEAERN CC(=O)c1cc(F)ccc1N(CCO)C(C)C ZINC000042479716 166446617 /nfs/dbraw/zinc/44/66/17/166446617.db2.gz AURIYFYLECWLOO-UHFFFAOYSA-N 0 0 239.290 2.235 10 0 BEAERN CC(C)(C)CCC(=O)N1CC[C@@H](CCO)C1 ZINC000300757624 166553986 /nfs/dbraw/zinc/55/39/86/166553986.db2.gz FQXBITNCYLXVDO-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]c2ccc(N)cc21 ZINC000041086443 166675978 /nfs/dbraw/zinc/67/59/78/166675978.db2.gz AFMJSXKKHRKDHZ-UHFFFAOYSA-N 0 0 233.271 2.100 10 0 BEAERN CC(C)(C)Oc1cc(OC2CC2)cnc1N ZINC000095721990 166687099 /nfs/dbraw/zinc/68/70/99/166687099.db2.gz ZRJZCSUPFPFLBS-UHFFFAOYSA-N 0 0 222.288 2.382 10 0 BEAERN CC(C)CCCNc1nccnc1N(C)C ZINC000302188409 166818592 /nfs/dbraw/zinc/81/85/92/166818592.db2.gz JTAHVSMDBHBIMX-UHFFFAOYSA-N 0 0 222.336 2.391 10 0 BEAERN CC(C)CC[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000062843996 166837029 /nfs/dbraw/zinc/83/70/29/166837029.db2.gz VAEDBYRIYVARHN-UHFFFAOYSA-N 0 0 213.321 2.219 10 0 BEAERN CC(C)CC[S@](=O)c1ccc(N)cc1 ZINC000042197096 166916912 /nfs/dbraw/zinc/91/69/12/166916912.db2.gz DJBCARYIEFIGLC-CQSZACIVSA-N 0 0 211.330 2.423 10 0 BEAERN CC(C)CN(C)C(=O)c1ccc2c(c1)CCN2 ZINC000037108574 166935372 /nfs/dbraw/zinc/93/53/72/166935372.db2.gz YPCJANIJPPCSGQ-UHFFFAOYSA-N 0 0 232.327 2.383 10 0 BEAERN CC(C)C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000037965292 167011985 /nfs/dbraw/zinc/01/19/85/167011985.db2.gz ACHNEPXLBVFOEQ-PWSUYJOCSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)C[NH2+][C@@]1(C(=O)[O-])CCCC[C@@H]1C ZINC000037965283 167012658 /nfs/dbraw/zinc/01/26/58/167012658.db2.gz YLMUMUBTXFIMOH-JQWIXIFHSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)[N@@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592205 167028034 /nfs/dbraw/zinc/02/80/34/167028034.db2.gz PVOVANQASJQMNR-SNVBAGLBSA-N 0 0 225.313 2.140 10 0 BEAERN CC(C)NC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082697290 167037936 /nfs/dbraw/zinc/03/79/36/167037936.db2.gz FEGJSPLMOVMINR-UHFFFAOYSA-N 0 0 220.316 2.071 10 0 BEAERN CC(C)NC(=O)CCNc1ccc(F)c(F)c1 ZINC000054048045 167044775 /nfs/dbraw/zinc/04/47/75/167044775.db2.gz KNWPAVLBFQHYOI-UHFFFAOYSA-N 0 0 242.269 2.291 10 0 BEAERN CC(C)NC(=O)Cc1cnc2ccccc2c1 ZINC000118753737 167065491 /nfs/dbraw/zinc/06/54/91/167065491.db2.gz WHKACRCMFWISPF-UHFFFAOYSA-N 0 0 228.295 2.302 10 0 BEAERN CC(C)NC(=O)Nc1cc(N)ccc1Cl ZINC000036744135 167077647 /nfs/dbraw/zinc/07/76/47/167077647.db2.gz LWSGHSVIXBHIEE-UHFFFAOYSA-N 0 0 227.695 2.452 10 0 BEAERN CC(C)[NH2+][C@@]1(c2nccs2)CCSC1 ZINC000041061524 167137159 /nfs/dbraw/zinc/13/71/59/167137159.db2.gz ZIRFQVSRTQJHBE-JTQLQIEISA-N 0 0 228.386 2.473 10 0 BEAERN CC(C)[NH2+][C@H](CCOC1CCCCC1)C(=O)[O-] ZINC000062545972 167138507 /nfs/dbraw/zinc/13/85/07/167138507.db2.gz JHKVWYXGBFLVAT-GFCCVEGCSA-N 0 0 243.347 2.177 10 0 BEAERN CC(C)Nc1cc(C(N)=O)ccc1Cl ZINC000036943514 167145707 /nfs/dbraw/zinc/14/57/07/167145707.db2.gz KJPLACOMZMOAFE-UHFFFAOYSA-N 0 0 212.680 2.259 10 0 BEAERN CC(C)Nc1ccccc1-n1cncn1 ZINC000037042327 167146580 /nfs/dbraw/zinc/14/65/80/167146580.db2.gz NWJCLZOQJSCATL-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)Nc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000013863530 167149205 /nfs/dbraw/zinc/14/92/05/167149205.db2.gz XBUILJZKKRFOQJ-UHFFFAOYSA-N 0 0 237.690 2.397 10 0 BEAERN CC(C)OC(=O)c1cc(F)cc(F)c1N ZINC000037475417 167172782 /nfs/dbraw/zinc/17/27/82/167172782.db2.gz QGNVXUFEDWEQNL-UHFFFAOYSA-N 0 0 215.199 2.112 10 0 BEAERN CC(C)OCC(=O)N1CCCCC[C@@H]1C ZINC000122351301 167180624 /nfs/dbraw/zinc/18/06/24/167180624.db2.gz NUNNUGAFUNKBLD-NSHDSACASA-N 0 0 213.321 2.203 10 0 BEAERN CC(C)OCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000122700352 167183968 /nfs/dbraw/zinc/18/39/68/167183968.db2.gz LARPNQLVOUDHCZ-QWRGUYRKSA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)O[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000054036085 167282414 /nfs/dbraw/zinc/28/24/14/167282414.db2.gz KSBSSJIQZOKQMN-MRVPVSSYSA-N 0 0 240.278 2.160 10 0 BEAERN CC(C)Oc1ccc(CC(N)=S)cc1 ZINC000019476382 167291951 /nfs/dbraw/zinc/29/19/51/167291951.db2.gz FKDPIUDFSZJHID-UHFFFAOYSA-N 0 0 209.314 2.302 10 0 BEAERN CC(C)Oc1ccc(NCCCO)cc1 ZINC000043444143 167296705 /nfs/dbraw/zinc/29/67/05/167296705.db2.gz MWFZRDISYKYKEB-UHFFFAOYSA-N 0 0 209.289 2.268 10 0 BEAERN CC(C)Oc1ccc([C@](C)([NH3+])CC(=O)[O-])cc1 ZINC000003115875 167303101 /nfs/dbraw/zinc/30/31/01/167303101.db2.gz FQXNYXYAELNZMB-CYBMUJFWSA-N 0 0 237.299 2.122 10 0 BEAERN CC(C)Oc1cccc([C@@H](O)c2nccn2C)c1 ZINC000061667097 167307978 /nfs/dbraw/zinc/30/79/78/167307978.db2.gz VNPFTKOWDMRZFB-CYBMUJFWSA-N 0 0 246.310 2.289 10 0 BEAERN CC(C)Oc1nc(Cl)nc(N[C@@H]2C[C@@H]2C)n1 ZINC000061542345 167312998 /nfs/dbraw/zinc/31/29/98/167312998.db2.gz PBGCTKDKNKZKOY-NKWVEPMBSA-N 0 0 242.710 2.133 10 0 BEAERN CC(C)Oc1nc(N[C@@H]2C[C@@H]2C)ccc1N ZINC000052273939 167313942 /nfs/dbraw/zinc/31/39/42/167313942.db2.gz BEDMHOJCBDCQGU-WCBMZHEXSA-N 0 0 221.304 2.271 10 0 BEAERN CC(C)SCC(=O)Nc1cc(N)ccc1F ZINC000037685391 167321044 /nfs/dbraw/zinc/32/10/44/167321044.db2.gz GZFQRDHSXQOQEW-UHFFFAOYSA-N 0 0 242.319 2.488 10 0 BEAERN CC(C)Sc1nnc(C[C@@H]2CCCO2)[nH]1 ZINC000073739491 167338185 /nfs/dbraw/zinc/33/81/85/167338185.db2.gz FMQIKMJBMJOAJY-QMMMGPOBSA-N 0 0 227.333 2.027 10 0 BEAERN CC(C)Sc1ncnc(Cl)c1N ZINC000062365425 167339427 /nfs/dbraw/zinc/33/94/27/167339427.db2.gz GMPWPEJCJKMSQA-UHFFFAOYSA-N 0 0 203.698 2.213 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171974941 167349103 /nfs/dbraw/zinc/34/91/03/167349103.db2.gz MWSSISZVKKOPNL-DGCLKSJQSA-N 0 0 249.358 2.376 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000153408632 167356738 /nfs/dbraw/zinc/35/67/38/167356738.db2.gz BECWGGOPFVVVDW-JSGCOSHPSA-N 0 0 239.359 2.308 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCC(=O)OC(C)(C)C ZINC000191909676 167370929 /nfs/dbraw/zinc/37/09/29/167370929.db2.gz WJQFASFMVLLUOL-SNVBAGLBSA-N 0 0 243.347 2.269 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000017057040 167379811 /nfs/dbraw/zinc/37/98/11/167379811.db2.gz ZNVPVMDQEBBDQD-SECBINFHSA-N 0 0 231.299 2.337 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccccc1O ZINC000020304726 167380126 /nfs/dbraw/zinc/38/01/26/167380126.db2.gz DQQOCLSIXLJLDZ-SECBINFHSA-N 0 0 207.273 2.167 10 0 BEAERN CC(C)[C@@H](C)Nc1ncnc2ccncc21 ZINC000336696637 167387641 /nfs/dbraw/zinc/38/76/41/167387641.db2.gz YUINOPCUNLLVTJ-SECBINFHSA-N 0 0 216.288 2.481 10 0 BEAERN Cc1csc(CNC(=O)Cc2ccccc2)n1 ZINC000041535652 410927229 /nfs/dbraw/zinc/92/72/29/410927229.db2.gz AFKUASPZHOZUGU-UHFFFAOYSA-N 0 0 246.335 2.310 10 0 BEAERN O=C(C[C@@H]1CCCO1)NCCC1CCCC1 ZINC000046754156 410992744 /nfs/dbraw/zinc/99/27/44/410992744.db2.gz HQUCNTOYVYFEAC-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN CC[NH+](CC)[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000016844068 169795290 /nfs/dbraw/zinc/79/52/90/169795290.db2.gz OCMVCKZEZUKRHG-GFCCVEGCSA-N 0 0 221.300 2.463 10 0 BEAERN Cc1nc(C)c(F)c(N2CCSC[C@H]2C)n1 ZINC000335764125 411044895 /nfs/dbraw/zinc/04/48/95/411044895.db2.gz FRKAWCASTXNUEV-SSDOTTSWSA-N 0 0 241.335 2.174 10 0 BEAERN CC(C)c1ccc(N2COCNC2=O)cc1 ZINC000002585902 167603239 /nfs/dbraw/zinc/60/32/39/167603239.db2.gz OVAOTAMPZDHISX-UHFFFAOYSA-N 0 0 220.272 2.271 10 0 BEAERN Cc1cc(C(=O)N2C[C@H](O)CC[C@@H]2C)cs1 ZINC000399304659 411033256 /nfs/dbraw/zinc/03/32/56/411033256.db2.gz PTXSENDJJJVRMU-GZMMTYOYSA-N 0 0 239.340 2.042 10 0 BEAERN c1cnc2nc(NCC[C@H]3CCCO3)ccc2n1 ZINC000111142848 411138885 /nfs/dbraw/zinc/13/88/85/411138885.db2.gz ARRRHZFWMKKVFG-SNVBAGLBSA-N 0 0 244.298 2.006 10 0 BEAERN c1cnc2nc(NCC[C@@H]3CCCO3)ccc2n1 ZINC000111142844 411138922 /nfs/dbraw/zinc/13/89/22/411138922.db2.gz ARRRHZFWMKKVFG-JTQLQIEISA-N 0 0 244.298 2.006 10 0 BEAERN CC(C)c1nnc(N[C@@H]2CCO[C@@H]2C)s1 ZINC000301876135 167712491 /nfs/dbraw/zinc/71/24/91/167712491.db2.gz GTKWYEKJTNTLDR-HTQZYQBOSA-N 0 0 227.333 2.251 10 0 BEAERN CO[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044230 411181790 /nfs/dbraw/zinc/18/17/90/411181790.db2.gz BZPFZEIBMUWXRH-WDEREUQCSA-N 0 0 237.299 2.368 10 0 BEAERN CC(C)n1ccnc1C(=O)C(F)(F)F ZINC000075855144 167769791 /nfs/dbraw/zinc/76/97/91/167769791.db2.gz HSUCOKCRKFIGLS-UHFFFAOYSA-N 0 0 206.167 2.209 10 0 BEAERN COCC[C@H](C)NC(=O)N[C@H](C)C(C)(C)C ZINC000112449692 411208263 /nfs/dbraw/zinc/20/82/63/411208263.db2.gz MAHHHQFOEQKHNZ-VHSXEESVSA-N 0 0 230.352 2.145 10 0 BEAERN C[C@H](O)CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247487357 411210388 /nfs/dbraw/zinc/21/03/88/411210388.db2.gz TZUSXVYMHYILSS-WCFLWFBJSA-N 0 0 239.359 2.090 10 0 BEAERN CCc1cc(NC(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000049138930 411225980 /nfs/dbraw/zinc/22/59/80/411225980.db2.gz FWWKKOGTBIJYQZ-UHFFFAOYSA-N 0 0 247.273 2.292 10 0 BEAERN CCc1cc(NC(=O)Cc2ccccc2F)n[nH]1 ZINC000049138981 411226190 /nfs/dbraw/zinc/22/61/90/411226190.db2.gz SZMXGUMAZFGMNV-UHFFFAOYSA-N 0 0 247.273 2.292 10 0 BEAERN CCN(CC)c1nc(=O)c2ccccc2o1 ZINC000196199837 169805864 /nfs/dbraw/zinc/80/58/64/169805864.db2.gz RWIYCXYMCDSHCD-UHFFFAOYSA-N 0 0 218.256 2.034 10 0 BEAERN CC(C)(C)OC(=O)Cc1ccc(N)cc1F ZINC000536958749 411266178 /nfs/dbraw/zinc/26/61/78/411266178.db2.gz IADQXUVPHZSPLH-UHFFFAOYSA-N 0 0 225.263 2.292 10 0 BEAERN CC/C=C\C[C@@H]1[C@H](O)CC[C@@H]1CC(=O)OC ZINC000038254435 167861638 /nfs/dbraw/zinc/86/16/38/167861638.db2.gz OOYCGMQJIWHWHA-DKLPLTIYSA-N 0 0 226.316 2.293 10 0 BEAERN CC1(C(=O)N2CCCC[C@@H](CO)C2)CCCC1 ZINC000378208652 167864543 /nfs/dbraw/zinc/86/45/43/167864543.db2.gz UTRMBALUUBRDOQ-GFCCVEGCSA-N 0 0 239.359 2.188 10 0 BEAERN CC1(C)CC(C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000354523426 167885700 /nfs/dbraw/zinc/88/57/00/167885700.db2.gz UNLFNBFXHHHHGF-GFCCVEGCSA-N 0 0 239.359 2.186 10 0 BEAERN COP(=O)(OC)C(=O)Cc1ccccc1 ZINC000071779590 411312178 /nfs/dbraw/zinc/31/21/78/411312178.db2.gz NOEKTFIMLDEDMC-UHFFFAOYSA-N 0 0 228.184 2.242 10 0 BEAERN CC1(C)CCc2ccccc2[C@H]1NC(N)=O ZINC000132772767 167944646 /nfs/dbraw/zinc/94/46/46/167944646.db2.gz RTSSUODBPJBBMY-LLVKDONJSA-N 0 0 218.300 2.368 10 0 BEAERN CC(C)CC[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304172763 411353272 /nfs/dbraw/zinc/35/32/72/411353272.db2.gz MAACAWWAOUKKMA-UHFFFAOYSA-N 0 0 236.315 2.258 10 0 BEAERN CN(Cc1ccccc1)c1ccnc(F)n1 ZINC000575596265 411340790 /nfs/dbraw/zinc/34/07/90/411340790.db2.gz YHUDRTVSNUCVQM-UHFFFAOYSA-N 0 0 217.247 2.252 10 0 BEAERN Clc1nccnc1S[C@@H]1CCOC1 ZINC000575596887 411342101 /nfs/dbraw/zinc/34/21/01/411342101.db2.gz OOYKEQRTOBUONM-ZCFIWIBFSA-N 0 0 216.693 2.011 10 0 BEAERN CC1(C)[C@H](Nc2ccccn2)[C@H]2CCO[C@H]21 ZINC000301382568 168005941 /nfs/dbraw/zinc/00/59/41/168005941.db2.gz ZISIKFNTFAFALA-YUSALJHKSA-N 0 0 218.300 2.307 10 0 BEAERN CC(C)(C(=O)NCC1(C)COC1)C1CCCC1 ZINC000120945347 168027875 /nfs/dbraw/zinc/02/78/75/168027875.db2.gz SQIBSLORETYNQG-UHFFFAOYSA-N 0 0 239.359 2.356 10 0 BEAERN CC1(CNC(=O)[C@@H]2CCCc3n[nH]cc32)CCC1 ZINC000134475305 168034894 /nfs/dbraw/zinc/03/48/94/168034894.db2.gz VHQNQADHZHKOHM-SNVBAGLBSA-N 0 0 247.342 2.136 10 0 BEAERN CC1=CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000100410 168092531 /nfs/dbraw/zinc/09/25/31/168092531.db2.gz SCZNFNHQCFUJBP-UHFFFAOYSA-N 0 0 221.643 2.160 10 0 BEAERN Cc1ccc2c(c1)N(C)C(=O)CC(C)=N2 ZINC000100898224 168138057 /nfs/dbraw/zinc/13/80/57/168138057.db2.gz ZMLJRFLEZHANQW-UHFFFAOYSA-N 0 0 202.257 2.454 10 0 BEAERN CC1CCC(CNC(=O)c2cc(N)c[nH]2)CC1 ZINC000063144204 168154679 /nfs/dbraw/zinc/15/46/79/168154679.db2.gz BZDICCYBTNBEIC-UHFFFAOYSA-N 0 0 235.331 2.153 10 0 BEAERN CC1CCC(C[NH2+][C@H]2C=C[C@@H](C(=O)[O-])C2)CC1 ZINC000310388876 168156260 /nfs/dbraw/zinc/15/62/60/168156260.db2.gz ILHNYAGCUGWSHJ-TUUUFIMRSA-N 0 0 237.343 2.432 10 0 BEAERN CC1CCC(NC(=O)c2cncc(O)c2)CC1 ZINC000104419348 168162500 /nfs/dbraw/zinc/16/25/00/168162500.db2.gz KNDUHOVXLDZWBR-UHFFFAOYSA-N 0 0 234.299 2.096 10 0 BEAERN CC1CCC(Nc2ncnc3nc[nH]c32)CC1 ZINC000020562550 168167166 /nfs/dbraw/zinc/16/71/66/168167166.db2.gz JENODMRMFWSKPC-UHFFFAOYSA-N 0 0 231.303 2.344 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCC(C)CC1 ZINC000073384990 168174729 /nfs/dbraw/zinc/17/47/29/168174729.db2.gz FCFLIPPWCYHAHS-LLVKDONJSA-N 0 0 212.337 2.472 10 0 BEAERN CC1CC[NH+]([C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000062749942 168185563 /nfs/dbraw/zinc/18/55/63/168185563.db2.gz RQINSGDKJQGRHO-NWDGAFQWSA-N 0 0 225.332 2.362 10 0 BEAERN CCC(=O)CCc1ccc2c(c1)OCCO2 ZINC000070739186 168204840 /nfs/dbraw/zinc/20/48/40/168204840.db2.gz GDZOSDLJGACUHW-UHFFFAOYSA-N 0 0 220.268 2.370 10 0 BEAERN CCC(=O)NCC[C@H]1CCc2ccc(O)cc21 ZINC000013491258 168229658 /nfs/dbraw/zinc/22/96/58/168229658.db2.gz VSEXOFSASGWWMH-LLVKDONJSA-N 0 0 233.311 2.338 10 0 BEAERN CCC(=O)NCCn1c(C)cc2ccccc21 ZINC000000427913 168230410 /nfs/dbraw/zinc/23/04/10/168230410.db2.gz XPSXNFMXKDKSLZ-UHFFFAOYSA-N 0 0 230.311 2.476 10 0 BEAERN CCC(=O)NC[C@H]1C[C@H]1c1cccc2c1CCO2 ZINC000000008572 168233218 /nfs/dbraw/zinc/23/32/18/168233218.db2.gz PTOIAAWZLUQTIO-ZWNOBZJWSA-N 0 0 245.322 2.251 10 0 BEAERN CCC(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000040437001 168233820 /nfs/dbraw/zinc/23/38/20/168233820.db2.gz DRHRKSOSBLDLBE-UHFFFAOYSA-N 0 0 229.283 2.103 10 0 BEAERN CCC(=O)N[C@@H]1CCCc2cccc(OC)c2C1 ZINC000013781249 168237084 /nfs/dbraw/zinc/23/70/84/168237084.db2.gz ZUENSFNTIJQYRP-GFCCVEGCSA-N 0 0 247.338 2.469 10 0 BEAERN CCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101526429 168245114 /nfs/dbraw/zinc/24/51/14/168245114.db2.gz SDDRXDSFAAHJOU-UHFFFAOYSA-N 0 0 217.228 2.085 10 0 BEAERN CCC(=O)Nc1nnc(-c2cccs2)o1 ZINC000002641551 168247937 /nfs/dbraw/zinc/24/79/37/168247937.db2.gz KYOWNHRXQMMPQS-UHFFFAOYSA-N 0 0 223.257 2.147 10 0 BEAERN CCC(=O)Nc1nc(C(C)C)c(N)s1 ZINC000074372948 168248475 /nfs/dbraw/zinc/24/84/75/168248475.db2.gz LHVWRKNWALSXRU-UHFFFAOYSA-N 0 0 213.306 2.197 10 0 BEAERN CCC(=O)c1cc2ccc(=O)oc2cc1O ZINC000064549059 168254997 /nfs/dbraw/zinc/25/49/97/168254997.db2.gz GJOCMGDMAGUOKE-UHFFFAOYSA-N 0 0 218.208 2.091 10 0 in-vivo BEAERN CCC(=O)c1ccccc1O[C@H](C)[C@@H](C)O ZINC000087131027 168259259 /nfs/dbraw/zinc/25/92/59/168259259.db2.gz VMHNGHZAEJOSDO-NXEZZACHSA-N 0 0 222.284 2.427 10 0 BEAERN CCC(=O)c1ccccc1OCC(=O)NC(C)C ZINC000019504692 168259611 /nfs/dbraw/zinc/25/96/11/168259611.db2.gz PVDOJLACUHNYQL-UHFFFAOYSA-N 0 0 249.310 2.183 10 0 BEAERN CC(C)CCN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000129736545 411385714 /nfs/dbraw/zinc/38/57/14/411385714.db2.gz ZMFAHMKEZVNUDF-QWRGUYRKSA-N 0 0 213.321 2.058 10 0 BEAERN CCC(C)(C)C(=O)NCCCCCC(=O)OC ZINC000054403879 168264333 /nfs/dbraw/zinc/26/43/33/168264333.db2.gz AEZTVXILLJAJPE-UHFFFAOYSA-N 0 0 243.347 2.272 10 0 BEAERN CCC(C)(C)C(=O)NCc1ccccc1N ZINC000054401584 168266126 /nfs/dbraw/zinc/26/61/26/168266126.db2.gz CILKHPJMMFZNKU-UHFFFAOYSA-N 0 0 220.316 2.321 10 0 BEAERN CCC(C)(C)C(=O)N[C@]1(CO)CCC[C@H](C)C1 ZINC000054403760 168267589 /nfs/dbraw/zinc/26/75/89/168267589.db2.gz VBTKZZOCZCVXTK-SMDDNHRTSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)NC(=O)CN(CC(F)F)C1CC1 ZINC000106872031 168289932 /nfs/dbraw/zinc/28/99/32/168289932.db2.gz NGTMKHRIALMFAX-UHFFFAOYSA-N 0 0 248.317 2.021 10 0 BEAERN CCC(C)(C)NC(=O)CSc1ccccn1 ZINC000047834123 168291855 /nfs/dbraw/zinc/29/18/55/168291855.db2.gz DASODLNBGATQAE-UHFFFAOYSA-N 0 0 238.356 2.479 10 0 BEAERN CCC(C)(C)NC(=O)c1[nH]nc2ccc(N)cc21 ZINC000048277389 168297793 /nfs/dbraw/zinc/29/77/93/168297793.db2.gz MWYOQWYOKCCKAU-UHFFFAOYSA-N 0 0 246.314 2.064 10 0 BEAERN CCC(C)(C)OCC(=O)Nc1cccc(N)c1 ZINC000020507785 168302790 /nfs/dbraw/zinc/30/27/90/168302790.db2.gz PFTJCPBIKKYSQQ-UHFFFAOYSA-N 0 0 236.315 2.413 10 0 BEAERN CCC(C)(CC)NC(=O)CCn1cc(C)cn1 ZINC000112828017 168307198 /nfs/dbraw/zinc/30/71/98/168307198.db2.gz YREUPEUXORMJJZ-UHFFFAOYSA-N 0 0 237.347 2.277 10 0 BEAERN CCC(C)(CC)NC(=O)CCSC ZINC000112828727 168307799 /nfs/dbraw/zinc/30/77/99/168307799.db2.gz QJVLFZGDNXICMM-UHFFFAOYSA-N 0 0 203.351 2.434 10 0 BEAERN CCC(C)(CC)NC(=O)NCc1cc(C)no1 ZINC000121126991 168308267 /nfs/dbraw/zinc/30/82/67/168308267.db2.gz AOIBHYUYBKOEPB-UHFFFAOYSA-N 0 0 239.319 2.361 10 0 BEAERN CCC(C)(CC)NC(=O)[C@H]1CCCOC1 ZINC000112828600 168309395 /nfs/dbraw/zinc/30/93/95/168309395.db2.gz VKDDBZRKQADTHZ-JTQLQIEISA-N 0 0 213.321 2.108 10 0 BEAERN CC(C)[C@@](C)(O)Cn1nccc1-c1cccnc1 ZINC000185031323 411399412 /nfs/dbraw/zinc/39/94/12/411399412.db2.gz NKUDKWZOBGOKFM-AWEZNQCLSA-N 0 0 245.326 2.352 10 0 BEAERN CCc1cc(NC(=O)CC2CCCC2)n[nH]1 ZINC000120611729 411403635 /nfs/dbraw/zinc/40/36/35/411403635.db2.gz TTWDFMBXJVOJFA-UHFFFAOYSA-N 0 0 221.304 2.491 10 0 BEAERN CCn1cc(C(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000114276529 411403791 /nfs/dbraw/zinc/40/37/91/411403791.db2.gz PLWFBKWHXJUZIT-SECBINFHSA-N 0 0 223.320 2.067 10 0 BEAERN CCOC(=O)N1CCCOC[C@H]1C(C)(C)C ZINC000616648951 411411805 /nfs/dbraw/zinc/41/18/05/411411805.db2.gz HSLPBKOSCGPPDQ-JTQLQIEISA-N 0 0 229.320 2.280 10 0 BEAERN Cc1cc(C(C)C)nc(NCCn2ccnc2)n1 ZINC000122396041 411431554 /nfs/dbraw/zinc/43/15/54/411431554.db2.gz XLVNCJJDDKHNBA-UHFFFAOYSA-N 0 0 245.330 2.217 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@@H](C)[C@@H](C)CO)n1 ZINC000122529706 411434129 /nfs/dbraw/zinc/43/41/29/411434129.db2.gz BABRBTDZKFRLBE-ONGXEEELSA-N 0 0 237.347 2.337 10 0 BEAERN Cc1cc(C(C)C)nc(N[C@H]2CCO[C@H]2C)n1 ZINC000122505994 411434434 /nfs/dbraw/zinc/43/44/34/411434434.db2.gz AMSXZPOTGBNRSS-QWRGUYRKSA-N 0 0 235.331 2.498 10 0 BEAERN Cc1cc(C(C)C)nc(N2CC[C@H]([C@@H](C)O)C2)n1 ZINC000122635722 411435053 /nfs/dbraw/zinc/43/50/53/411435053.db2.gz QHWHZUCAEGNQKK-NEPJUHHUSA-N 0 0 249.358 2.116 10 0 BEAERN Cc1c[nH]c(CN[C@@H]2CCOc3ccccc32)n1 ZINC000657290427 411452244 /nfs/dbraw/zinc/45/22/44/411452244.db2.gz PTIFOBUWTBJAKH-GFCCVEGCSA-N 0 0 243.310 2.332 10 0 BEAERN CCN(c1cc2c(cc1N)CCC(=O)N2)C1CC1 ZINC000035063273 169941397 /nfs/dbraw/zinc/94/13/97/169941397.db2.gz RDUNXMJTVUKZRK-UHFFFAOYSA-N 0 0 245.326 2.142 10 0 BEAERN CCN(c1ccc(CO)c(C)c1)[C@H](C)COC ZINC000050583358 169942090 /nfs/dbraw/zinc/94/20/90/169942090.db2.gz PXXXLMAWJOBTTO-GFCCVEGCSA-N 0 0 237.343 2.349 10 0 BEAERN CCN(c1ncc(N)cn1)C1CCCCC1 ZINC000040455106 169944820 /nfs/dbraw/zinc/94/48/20/169944820.db2.gz KUTVLOAJDPAUSB-UHFFFAOYSA-N 0 0 220.320 2.218 10 0 BEAERN CC[C@@H]1C[C@@H](N[C@@H](C)c2ncc(C)o2)CO1 ZINC000657458969 411517428 /nfs/dbraw/zinc/51/74/28/411517428.db2.gz SJKQGAUGSDJOLO-HBNTYKKESA-N 0 0 224.304 2.201 10 0 BEAERN CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246938902 170031879 /nfs/dbraw/zinc/03/18/79/170031879.db2.gz ZEAJKYPOTZQPEH-CABZTGNLSA-N 0 0 227.254 2.092 10 0 BEAERN CCNC(=O)N(C)Cc1cc(N)ccc1Cl ZINC000036744277 170071565 /nfs/dbraw/zinc/07/15/65/170071565.db2.gz PFKXQTPZLXYJNO-UHFFFAOYSA-N 0 0 241.722 2.084 10 0 BEAERN CCNC(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000177300989 170074898 /nfs/dbraw/zinc/07/48/98/170074898.db2.gz YYESRCBFHNOJCS-LLVKDONJSA-N 0 0 247.342 2.056 10 0 BEAERN CCNC(=O)Oc1ccc2c(c1)CCCC2=O ZINC000216116931 170085224 /nfs/dbraw/zinc/08/52/24/170085224.db2.gz JNPXJSMHDAMUAO-UHFFFAOYSA-N 0 0 233.267 2.314 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cccc(F)c1C ZINC000043321033 170088895 /nfs/dbraw/zinc/08/88/95/170088895.db2.gz DSGDWXBPZLMSTL-SECBINFHSA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109079857 170093005 /nfs/dbraw/zinc/09/30/05/170093005.db2.gz IBXQXQKPDSUISM-DTWKUNHWSA-N 0 0 225.238 2.204 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1F ZINC000035083620 170096266 /nfs/dbraw/zinc/09/62/66/170096266.db2.gz JWYYWNFQPDUFAG-ZETCQYMHSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@H](C)Sc1ccc(N)cc1C ZINC000037193810 170096568 /nfs/dbraw/zinc/09/65/68/170096568.db2.gz XWKWEPVUCLJXAS-VIFPVBQESA-N 0 0 238.356 2.194 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cccc(F)c1C ZINC000043321035 170096640 /nfs/dbraw/zinc/09/66/40/170096640.db2.gz DSGDWXBPZLMSTL-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cc(F)ccc1C ZINC000020306648 170096991 /nfs/dbraw/zinc/09/69/91/170096991.db2.gz MYSAXIYLCCELPW-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)c1cc(NCCC(C)C)ccn1 ZINC000035673996 170101023 /nfs/dbraw/zinc/10/10/23/170101023.db2.gz UNTPCTHTHWGCKL-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN CCNC(=O)c1cc(N[C@@H](C)C2CC2)ccn1 ZINC000035733778 170101367 /nfs/dbraw/zinc/10/13/67/170101367.db2.gz GDMCRKKZALJPLP-VIFPVBQESA-N 0 0 233.315 2.042 10 0 BEAERN CCNC(=O)c1ccc(N)c(NC(C)(C)C)c1 ZINC000103954744 170101540 /nfs/dbraw/zinc/10/15/40/170101540.db2.gz OIDCUUCIHITVAA-UHFFFAOYSA-N 0 0 235.331 2.229 10 0 BEAERN CCNC(=O)c1ccc(N)c(O[C@H](C)CC)c1 ZINC000103962047 170101867 /nfs/dbraw/zinc/10/18/67/170101867.db2.gz MYLYEKFFPIKRTF-SECBINFHSA-N 0 0 236.315 2.196 10 0 BEAERN CCNC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000058583466 170104943 /nfs/dbraw/zinc/10/49/43/170104943.db2.gz BXOKDDBISJSCIV-UHFFFAOYSA-N 0 0 249.339 2.245 10 0 BEAERN CCNNOc1c(Cl)cccc1Cl ZINC000095496268 170132423 /nfs/dbraw/zinc/13/24/23/170132423.db2.gz XBWFASFICYFFID-UHFFFAOYSA-N 0 0 221.087 2.401 10 0 BEAERN CCN[C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000037869582 170137967 /nfs/dbraw/zinc/13/79/67/170137967.db2.gz DTKQPDRLLBTUAY-SECBINFHSA-N 0 0 247.125 2.129 10 0 BEAERN CCN[C@H](c1nccs1)c1cccnc1 ZINC000041060963 170148373 /nfs/dbraw/zinc/14/83/73/170148373.db2.gz WEHNJPSKLBTUSR-JTQLQIEISA-N 0 0 219.313 2.237 10 0 BEAERN CCN[C@H](c1ccc(F)cc1F)c1ncccn1 ZINC000055238940 170149112 /nfs/dbraw/zinc/14/91/12/170149112.db2.gz RUTAQJIQMWVZLP-GFCCVEGCSA-N 0 0 249.264 2.454 10 0 BEAERN CC[NH2+][C@@H]1c2cc(OC)ccc2O[C@@H]1C ZINC000043633589 170154763 /nfs/dbraw/zinc/15/47/63/170154763.db2.gz UDCJVHJGFANVAR-PELKAZGASA-N 0 0 207.273 2.127 10 0 BEAERN CC[NH2+][C@@](C)(CO)c1ccc(F)c(Cl)c1 ZINC000038120276 170155350 /nfs/dbraw/zinc/15/53/50/170155350.db2.gz CDSFFITXCCMFDQ-NSHDSACASA-N 0 0 231.698 2.296 10 0 BEAERN CCN[C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000037869581 170156279 /nfs/dbraw/zinc/15/62/79/170156279.db2.gz DTKQPDRLLBTUAY-VIFPVBQESA-N 0 0 247.125 2.129 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000037742823 170156329 /nfs/dbraw/zinc/15/63/29/170156329.db2.gz NKYBGWSSEYUEDV-LBPRGKRZSA-N 0 0 237.299 2.209 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1ccc(C)cc1C ZINC000037181776 170156596 /nfs/dbraw/zinc/15/65/96/170156596.db2.gz BNPABPTVAUQYKZ-NSHDSACASA-N 0 0 207.273 2.039 10 0 BEAERN CC[NH2+][C@H](CCO[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062543814 170162434 /nfs/dbraw/zinc/16/24/34/170162434.db2.gz USBDLVKZRGZRLJ-TUAOUCFPSA-N 0 0 243.347 2.035 10 0 BEAERN CCN[C@H](c1ccc(C)o1)c1nccn1C ZINC000041048674 170163483 /nfs/dbraw/zinc/16/34/83/170163483.db2.gz NGWBHQOTJAKTTA-LLVKDONJSA-N 0 0 219.288 2.020 10 0 BEAERN CCN[C@@H](c1cccs1)c1ncccn1 ZINC000040237966 170165060 /nfs/dbraw/zinc/16/50/60/170165060.db2.gz PEOFNUSUMJJDPM-JTQLQIEISA-N 0 0 219.313 2.237 10 0 BEAERN CC[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC(C)(C)C1 ZINC000037181623 170170656 /nfs/dbraw/zinc/17/06/56/170170656.db2.gz HUBYCANCIPUNHQ-JOYOIKCWSA-N 0 0 213.321 2.266 10 0 BEAERN CC[NH2+][C@](C)(C(=O)[O-])c1cc(C)ccc1C ZINC000037181369 170170881 /nfs/dbraw/zinc/17/08/81/170170881.db2.gz NWLBVFXXMVUBQO-ZDUSSCGKSA-N 0 0 221.300 2.213 10 0 BEAERN CCNc1cc(C(=O)N2C[C@H]3CC[C@@H]2C3)ccn1 ZINC000050778451 170171001 /nfs/dbraw/zinc/17/10/01/170171001.db2.gz BCOLKFGGAUKAQH-CMPLNLGQSA-N 0 0 245.326 2.138 10 0 BEAERN CCNc1cc(-c2c[nH]c(C)n2)ccn1 ZINC000029389363 170171371 /nfs/dbraw/zinc/17/13/71/170171371.db2.gz XVQPGYLBPRBJOS-UHFFFAOYSA-N 0 0 202.261 2.212 10 0 BEAERN CCNc1cc(C(=O)N2CCC[C@H](C)C2)ccn1 ZINC000050726435 170171597 /nfs/dbraw/zinc/17/15/97/170171597.db2.gz NWRICJBGDOWWPA-NSHDSACASA-N 0 0 247.342 2.386 10 0 BEAERN CCNc1cc(C)nc(-c2cccnc2)n1 ZINC000048400140 170172417 /nfs/dbraw/zinc/17/24/17/170172417.db2.gz WQONESAPTYFGMS-UHFFFAOYSA-N 0 0 214.272 2.279 10 0 BEAERN CCNc1cc2c(nn1)CC[C@@H](CC)C2 ZINC000054931155 170172956 /nfs/dbraw/zinc/17/29/56/170172956.db2.gz XSCFIJLGZUDXBI-SECBINFHSA-N 0 0 205.305 2.423 10 0 BEAERN CCNc1ccc(C)cc1C(=O)NC1CC1 ZINC000053000182 170173515 /nfs/dbraw/zinc/17/35/15/170173515.db2.gz CDRIZPKZZLREMB-UHFFFAOYSA-N 0 0 218.300 2.319 10 0 BEAERN CCNc1ncnc2cc(OC)ccc21 ZINC000032544476 170178703 /nfs/dbraw/zinc/17/87/03/170178703.db2.gz XFECZHHAQJLGOQ-UHFFFAOYSA-N 0 0 203.245 2.070 10 0 BEAERN CCO/C(C)=C1/N=C(c2ccccc2)OC1=O ZINC000020285617 170179103 /nfs/dbraw/zinc/17/91/03/170179103.db2.gz OCUKNVJNEOPYAH-PKNBQFBNSA-N 0 0 231.251 2.258 10 0 BEAERN CCNc1snnc1CN1CCC(C)CC1 ZINC000050792142 170179194 /nfs/dbraw/zinc/17/91/94/170179194.db2.gz MLYWQBYZNWNQSD-UHFFFAOYSA-N 0 0 240.376 2.202 10 0 BEAERN CCOC(=N)[C@H](O)c1ccc(F)cc1F ZINC000211757776 170179917 /nfs/dbraw/zinc/17/99/17/170179917.db2.gz RZRTWJRDRJJZQP-SECBINFHSA-N 0 0 215.199 2.012 10 0 BEAERN CCOC(=N)[C@@H](O)c1c(Cl)cccc1OC ZINC000039392963 170180178 /nfs/dbraw/zinc/18/01/78/170180178.db2.gz NVGMWJYWZOLUBL-JTQLQIEISA-N 0 0 243.690 2.396 10 0 BEAERN CCOC(=N)[C@H](O)c1cc(C)ccc1C ZINC000039135025 170180223 /nfs/dbraw/zinc/18/02/23/170180223.db2.gz DKIDUDOQODXIEF-LLVKDONJSA-N 0 0 207.273 2.351 10 0 BEAERN CCOC(=N)[C@@H](O)c1cc(F)ccc1OCC ZINC000034102022 170180226 /nfs/dbraw/zinc/18/02/26/170180226.db2.gz ADXVLXXNRHOWQM-NSHDSACASA-N 0 0 241.262 2.272 10 0 BEAERN CCOC(=O)/C=C(\OCC)C(F)(F)F ZINC000034503276 170182871 /nfs/dbraw/zinc/18/28/71/170182871.db2.gz RIZVJPDJHKBJHO-WAYWQWQTSA-N 0 0 212.167 2.032 10 0 BEAERN CCOC(=O)C(=O)c1c(Cl)cncc1Cl ZINC000002524942 170184637 /nfs/dbraw/zinc/18/46/37/170184637.db2.gz MOKBUJMWUJUUTL-UHFFFAOYSA-N 0 0 248.065 2.134 10 0 BEAERN CCOC(=O)C(C)(C)NCCC(C)(C)C ZINC000121498146 170187276 /nfs/dbraw/zinc/18/72/76/170187276.db2.gz KRRUZEGTSVZTAB-UHFFFAOYSA-N 0 0 215.337 2.354 10 0 BEAERN CCOC(=O)C(F)(F)[C@](C)(O)c1ccccc1 ZINC000036406054 170187926 /nfs/dbraw/zinc/18/79/26/170187926.db2.gz ILFQGBWKIKNCCJ-LLVKDONJSA-N 0 0 244.237 2.093 10 0 BEAERN CCOC(=O)C(F)(F)Cc1cccc(OC)c1 ZINC000096032608 170188132 /nfs/dbraw/zinc/18/81/32/170188132.db2.gz VKFYBGAIOMPJOS-UHFFFAOYSA-N 0 0 244.237 2.436 10 0 BEAERN CCOC(=O)C1=C(C)O[C@@H]2C=CCC[C@@H]12 ZINC000039105690 170191250 /nfs/dbraw/zinc/19/12/50/170191250.db2.gz LVGWHOVCXNYTGP-NXEZZACHSA-N 0 0 208.257 2.189 10 0 BEAERN CCOC(=O)CC(=S)Nc1ccccc1 ZINC000033373268 170197595 /nfs/dbraw/zinc/19/75/95/170197595.db2.gz MZIMGFGSCPUASF-UHFFFAOYSA-N 0 0 223.297 2.379 10 0 BEAERN CCOC(=O)CCCC1CCC(O)CC1 ZINC000082208416 170198967 /nfs/dbraw/zinc/19/89/67/170198967.db2.gz DFOWMGNJIGRYCX-UHFFFAOYSA-N 0 0 214.305 2.271 10 0 BEAERN CCOC(=O)CCn1c(C)nc2ccccc21 ZINC000036667731 170212073 /nfs/dbraw/zinc/21/20/73/170212073.db2.gz UQAZEVCAVNCIPD-UHFFFAOYSA-N 0 0 232.283 2.298 10 0 BEAERN CCOC(=O)CN[C@@H](C)CCc1ccccc1 ZINC000037394066 170226626 /nfs/dbraw/zinc/22/66/26/170226626.db2.gz BGZFPZOLJIAMEE-LBPRGKRZSA-N 0 0 235.327 2.160 10 0 BEAERN CCOC(=O)CNc1ccc(C(F)(F)F)cn1 ZINC000037564190 170227257 /nfs/dbraw/zinc/22/72/57/170227257.db2.gz ROAPRTFFBDMJBL-UHFFFAOYSA-N 0 0 248.204 2.075 10 0 BEAERN CCOC(=O)CNc1ccc(SC)cc1 ZINC000020043884 170227478 /nfs/dbraw/zinc/22/74/78/170227478.db2.gz OHFODJILOSBRDX-UHFFFAOYSA-N 0 0 225.313 2.384 10 0 BEAERN CCOC(=O)COc1cccc2scnc21 ZINC000089195225 170229465 /nfs/dbraw/zinc/22/94/65/170229465.db2.gz LJTQFIWCXOJBMN-UHFFFAOYSA-N 0 0 237.280 2.238 10 0 BEAERN CCOC(=O)C[C@@H]1CCc2cc(O)ccc21 ZINC000035259720 170231766 /nfs/dbraw/zinc/23/17/66/170231766.db2.gz KCIMHLFQVFKWQS-JTQLQIEISA-N 0 0 220.268 2.375 10 0 BEAERN CCOC(=O)C[C@@H]1[NH2+]CCc2ccc(C)cc21 ZINC000049453868 170231896 /nfs/dbraw/zinc/23/18/96/170231896.db2.gz BWTFLVSPENULBC-ZDUSSCGKSA-N 0 0 233.311 2.135 10 0 BEAERN CCOC(=O)C[C@@](C)(O)c1ccccc1C ZINC000052248556 170232697 /nfs/dbraw/zinc/23/26/97/170232697.db2.gz KTFCBNAZSPTEFK-CYBMUJFWSA-N 0 0 222.284 2.156 10 0 BEAERN CCOC(=O)Cc1ccc(CC)c(OC)c1 ZINC000039102337 170234957 /nfs/dbraw/zinc/23/49/57/170234957.db2.gz XHEZSVGUFAWBOF-UHFFFAOYSA-N 0 0 222.284 2.363 10 0 BEAERN CCOC(=O)Cc1ccc(C(F)F)cn1 ZINC000095774687 170235461 /nfs/dbraw/zinc/23/54/61/170235461.db2.gz IENULWPHYTWLTH-UHFFFAOYSA-N 0 0 215.199 2.125 10 0 BEAERN CCOC(=O)Cc1ccc(O)c2ncccc12 ZINC000039194293 170236318 /nfs/dbraw/zinc/23/63/18/170236318.db2.gz NFHXBLRSZGKRFT-UHFFFAOYSA-N 0 0 231.251 2.046 10 0 BEAERN CCOC(=O)Cn1c2ccccc2[nH]c1=S ZINC000000045449 170236659 /nfs/dbraw/zinc/23/66/59/170236659.db2.gz IDNPLWDQYDXGMB-UHFFFAOYSA-N 0 0 236.296 2.262 10 0 BEAERN CCOC(=O)Cc1nc(CC)c(C)s1 ZINC000034956295 170236921 /nfs/dbraw/zinc/23/69/21/170236921.db2.gz ILVXHWVFODDWMH-UHFFFAOYSA-N 0 0 213.302 2.120 10 0 BEAERN CCOC(=O)N(C)Cc1ccccc1OC ZINC000070237213 170237964 /nfs/dbraw/zinc/23/79/64/170237964.db2.gz SHTOCRCGHUXGDQ-UHFFFAOYSA-N 0 0 223.272 2.284 10 0 BEAERN CCOC(=O)N(Cc1cccc(N)c1)C1CC1 ZINC000035366225 170238488 /nfs/dbraw/zinc/23/84/88/170238488.db2.gz QYQRCJOZOYBLRZ-UHFFFAOYSA-N 0 0 234.299 2.390 10 0 BEAERN CCOC(=O)NCSc1ccccc1 ZINC000103286369 170241653 /nfs/dbraw/zinc/24/16/53/170241653.db2.gz BWFRGCCLBOWDRO-UHFFFAOYSA-N 0 0 211.286 2.482 10 0 BEAERN CCOC(=O)[C@@H](NC)c1c(C)cccc1C ZINC000076187001 170254591 /nfs/dbraw/zinc/25/45/91/170254591.db2.gz WHRAAGMOHYMLRA-LBPRGKRZSA-N 0 0 221.300 2.127 10 0 BEAERN CCOC(=O)[C@@H](NC)c1ccc(F)c(Cl)c1 ZINC000076187049 170254663 /nfs/dbraw/zinc/25/46/63/170254663.db2.gz UZEWESQKQSSZNG-JTQLQIEISA-N 0 0 245.681 2.303 10 0 BEAERN CCOC(=O)[C@@H](N)c1ccc(C(C)C)cc1 ZINC000037459960 170254723 /nfs/dbraw/zinc/25/47/23/170254723.db2.gz IMBIVPQNOXBHQN-LBPRGKRZSA-N 0 0 221.300 2.373 10 0 BEAERN CCOC(=O)[C@@H](NC1CC1)c1ccccc1F ZINC000037514522 170255897 /nfs/dbraw/zinc/25/58/97/170255897.db2.gz WODHWRGLPCGECF-LBPRGKRZSA-N 0 0 237.274 2.182 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1ccccc1Cl ZINC000037459880 170261388 /nfs/dbraw/zinc/26/13/88/170261388.db2.gz SJAILYOFADVCAK-NSHDSACASA-N 0 0 227.691 2.077 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1ccc(Cl)cc1 ZINC000033733057 170261821 /nfs/dbraw/zinc/26/18/21/170261821.db2.gz DZIFPXVMWNXTRN-NSHDSACASA-N 0 0 227.691 2.077 10 0 BEAERN CCOC(=O)[C@@](CC)(NC)c1ccc(F)cc1 ZINC000037458556 170262298 /nfs/dbraw/zinc/26/22/98/170262298.db2.gz KFNKHCQIAQFFTA-ZDUSSCGKSA-N 0 0 239.290 2.214 10 0 BEAERN CCOC(=O)[C@@]1(NCC2CC2)CCC[C@@H](C)C1 ZINC000037968029 170263464 /nfs/dbraw/zinc/26/34/64/170263464.db2.gz RCIRRBPFTIQMNK-BXUZGUMPSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)[C@@]12CCCCC1=CC(=O)CC2 ZINC000001595279 170263525 /nfs/dbraw/zinc/26/35/25/170263525.db2.gz SRDFWBNFGXTHOY-CYBMUJFWSA-N 0 0 222.284 2.399 10 0 BEAERN CCOC(=O)[C@H](C)N(C)c1ccccc1F ZINC000255187924 170266570 /nfs/dbraw/zinc/26/65/70/170266570.db2.gz HQQZIRHZPSTPDX-VIFPVBQESA-N 0 0 225.263 2.214 10 0 BEAERN CCOC(=O)c1c(CC)cc(O)c(C)c1O ZINC000015204911 170288427 /nfs/dbraw/zinc/28/84/27/170288427.db2.gz DNSCHDOSMCTZQT-UHFFFAOYSA-N 0 0 224.256 2.145 10 0 BEAERN CCOC(=O)c1cc(C(=O)C(C)C)c[nH]1 ZINC000196699467 170290885 /nfs/dbraw/zinc/29/08/85/170290885.db2.gz GYEIUHGROQOMQK-UHFFFAOYSA-N 0 0 209.245 2.030 10 0 BEAERN CCOC(=O)c1cc2[nH]ccc2c(OC(C)=O)c1 ZINC000014984869 170292953 /nfs/dbraw/zinc/29/29/53/170292953.db2.gz XGRHYWCUERDEAB-UHFFFAOYSA-N 0 0 247.250 2.270 10 0 BEAERN CCOC(=O)c1cc2ccc(O)cc2n1C ZINC000095626982 170294167 /nfs/dbraw/zinc/29/41/67/170294167.db2.gz XYFONSKUOHELDG-UHFFFAOYSA-N 0 0 219.240 2.061 10 0 BEAERN CCOC(=O)c1cc2ccc(O)cc2[nH]1 ZINC000095626983 170294213 /nfs/dbraw/zinc/29/42/13/170294213.db2.gz FVMVBNSCNRLYIJ-UHFFFAOYSA-N 0 0 205.213 2.050 10 0 BEAERN CCOC(=O)c1ccc(-n2ccc(=O)cc2)cc1 ZINC000098180931 170294279 /nfs/dbraw/zinc/29/42/79/170294279.db2.gz YILAMLOXBAAECJ-UHFFFAOYSA-N 0 0 243.262 2.014 10 0 BEAERN CCOC(=O)c1ccc(F)cc1C(=O)OCC ZINC000005858240 170295951 /nfs/dbraw/zinc/29/59/51/170295951.db2.gz AHUYNJGTOFVLRF-UHFFFAOYSA-N 0 0 240.230 2.179 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(N)c1C ZINC000140332181 170296035 /nfs/dbraw/zinc/29/60/35/170296035.db2.gz PIWWNKRTDAMKEF-UHFFFAOYSA-N 0 0 213.664 2.407 10 0 BEAERN CCOC(=O)c1ccc(O[C@@H](C)[C@H](C)O)cc1 ZINC000094652525 170296834 /nfs/dbraw/zinc/29/68/34/170296834.db2.gz FYLKRSXZFQCTDS-UWVGGRQHSA-N 0 0 238.283 2.011 10 0 BEAERN CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000026783641 170298299 /nfs/dbraw/zinc/29/82/99/170298299.db2.gz SGRUTBIPXMVVNT-CABZTGNLSA-N 0 0 247.294 2.458 10 0 BEAERN CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000026783643 170298695 /nfs/dbraw/zinc/29/86/95/170298695.db2.gz SGRUTBIPXMVVNT-BXKDBHETSA-N 0 0 247.294 2.458 10 0 BEAERN CCOC(=O)c1cccnc1N[C@H](C)C1CC1 ZINC000035733851 170299884 /nfs/dbraw/zinc/29/98/84/170299884.db2.gz DGZKEDANSVYQSZ-SECBINFHSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1cccnc1N[C@H]1C[C@H]1C ZINC000052291866 170299996 /nfs/dbraw/zinc/29/99/96/170299996.db2.gz LVDUCGKPEUZFBD-SCZZXKLOSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1ccccc1[C@@H](N)C(F)(F)F ZINC000072190807 170300028 /nfs/dbraw/zinc/30/00/28/170300028.db2.gz MNGSLCBDILXXTN-SECBINFHSA-N 0 0 247.216 2.425 10 0 BEAERN CCOC(=O)c1ccccc1[C@H](N)C(F)(F)F ZINC000072195317 170300173 /nfs/dbraw/zinc/30/01/73/170300173.db2.gz MNGSLCBDILXXTN-VIFPVBQESA-N 0 0 247.216 2.425 10 0 BEAERN CCOC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000012404892 170301103 /nfs/dbraw/zinc/30/11/03/170301103.db2.gz ZVCREOKHHSQOHK-UHFFFAOYSA-N 0 0 234.230 2.188 10 0 BEAERN CCOC(=O)c1cnc2oc(COC)cc2c1 ZINC000104835942 170302335 /nfs/dbraw/zinc/30/23/35/170302335.db2.gz OZFRMXOHMGEBQF-UHFFFAOYSA-N 0 0 235.239 2.151 10 0 BEAERN CCOC(=O)c1coc(Br)c1 ZINC000034327341 170305012 /nfs/dbraw/zinc/30/50/12/170305012.db2.gz CKISFRZHUKFFRU-UHFFFAOYSA-N 0 0 219.034 2.219 10 0 BEAERN CCOC(=O)c1n[nH]c2cc(C)ccc21 ZINC000089196040 170306095 /nfs/dbraw/zinc/30/60/95/170306095.db2.gz JZBHWTQRRAEFIY-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1n[nH]c2cc(F)cc(F)c21 ZINC000095930572 170306137 /nfs/dbraw/zinc/30/61/37/170306137.db2.gz CTAWFWSRVDKYNC-UHFFFAOYSA-N 0 0 226.182 2.018 10 0 BEAERN CCOC(=O)c1n[nH]c(CC2CCCCC2)n1 ZINC000103925231 170306232 /nfs/dbraw/zinc/30/62/32/170306232.db2.gz GWOMILSQCLDRDB-UHFFFAOYSA-N 0 0 237.303 2.104 10 0 BEAERN CCOC(=O)c1nc(N)sc1-c1ccco1 ZINC000083239083 170306430 /nfs/dbraw/zinc/30/64/30/170306430.db2.gz KUNICHOUBTWJFE-UHFFFAOYSA-N 0 0 238.268 2.162 10 0 BEAERN CCOC(=O)c1[nH]cnc1-c1ccccc1 ZINC000038271958 170307872 /nfs/dbraw/zinc/30/78/72/170307872.db2.gz CUNDMNJBUKQGRM-UHFFFAOYSA-N 0 0 216.240 2.253 10 0 BEAERN CCOC(=O)c1nc2cc[nH]c2cc1C ZINC000089221348 170308117 /nfs/dbraw/zinc/30/81/17/170308117.db2.gz IWCKIQCPDWKHMI-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1noc(C[C@@H](C)C(C)(C)C)n1 ZINC000104449063 170309633 /nfs/dbraw/zinc/30/96/33/170309633.db2.gz DULXOGGADJFFMU-MRVPVSSYSA-N 0 0 240.303 2.471 10 0 BEAERN CCOC(=O)c1noc2c1cccc2OC ZINC000299889461 170310187 /nfs/dbraw/zinc/31/01/87/170310187.db2.gz JRXWGVIFTRJFBO-UHFFFAOYSA-N 0 0 221.212 2.013 10 0 BEAERN CCOC(=O)n1ccc2cc(N)ccc21 ZINC000039085355 170311883 /nfs/dbraw/zinc/31/18/83/170311883.db2.gz HCERNUVVUIVQOR-UHFFFAOYSA-N 0 0 204.229 2.228 10 0 BEAERN CCOC1=NO[C@@H](C(=O)c2ccccc2)C1 ZINC000039100567 170320692 /nfs/dbraw/zinc/32/06/92/170320692.db2.gz CWICFGGMQADCEK-SNVBAGLBSA-N 0 0 219.240 2.008 10 0 BEAERN CCOCC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000115224907 170338562 /nfs/dbraw/zinc/33/85/62/170338562.db2.gz YIQGRCUJULUNPM-NSHDSACASA-N 0 0 236.315 2.028 10 0 BEAERN CCOCC(=O)c1ccc(C2OCCO2)s1 ZINC000095932877 170350551 /nfs/dbraw/zinc/35/05/51/170350551.db2.gz FPCVFXJGGOJYTC-UHFFFAOYSA-N 0 0 242.296 2.013 10 0 BEAERN CCOCCC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110443854 170361729 /nfs/dbraw/zinc/36/17/29/170361729.db2.gz SOBRKAHTUMVPNP-KGLIPLIRSA-N 0 0 247.338 2.333 10 0 BEAERN CCOCCC(=O)c1ccnc(Cl)c1 ZINC000095931700 170363470 /nfs/dbraw/zinc/36/34/70/170363470.db2.gz ICOOMHKWKSDSJH-UHFFFAOYSA-N 0 0 213.664 2.344 10 0 BEAERN CCOC[C@@H](C)Nc1cc(C(C)C)ncn1 ZINC000044725905 170432857 /nfs/dbraw/zinc/43/28/57/170432857.db2.gz MTLZEKXMYCVPCD-SNVBAGLBSA-N 0 0 223.320 2.437 10 0 BEAERN COC(=O)Cc1c(Cl)ccc(C)c1O ZINC000259948164 411581992 /nfs/dbraw/zinc/58/19/92/411581992.db2.gz IKJATGWUYJBUFV-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN CCCc1nccnc1N[C@H](C)Cn1cccn1 ZINC000663388215 411646248 /nfs/dbraw/zinc/64/62/48/411646248.db2.gz ODAJSLGPGJHGMZ-LLVKDONJSA-N 0 0 245.330 2.126 10 0 BEAERN CCCc1nccnc1N[C@@H]1CCSC1 ZINC000663670218 411719170 /nfs/dbraw/zinc/71/91/70/411719170.db2.gz PPYRNTJZIXSUKG-SECBINFHSA-N 0 0 223.345 2.347 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CCC[C@@H]1O ZINC000663668540 411719178 /nfs/dbraw/zinc/71/91/78/411719178.db2.gz DAKJIWBJDRTTAK-JQWIXIFHSA-N 0 0 235.331 2.002 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CCC[C@H]1O ZINC000663668539 411717013 /nfs/dbraw/zinc/71/70/13/411717013.db2.gz DAKJIWBJDRTTAK-CMPLNLGQSA-N 0 0 235.331 2.002 10 0 BEAERN CCCc1nccnc1NC[C@@H](C)COC ZINC000663434095 411658093 /nfs/dbraw/zinc/65/80/93/411658093.db2.gz FGDLXOVVOYFRJN-SNVBAGLBSA-N 0 0 223.320 2.124 10 0 BEAERN CCOc1cc(CC)ccc1C(=O)OC ZINC000039099603 170520980 /nfs/dbraw/zinc/52/09/80/170520980.db2.gz YXNSQRLBRHWIKS-UHFFFAOYSA-N 0 0 208.257 2.434 10 0 BEAERN CCOc1ccc(NC[C@@H](C)C(=O)OC)cc1 ZINC000035757545 170552416 /nfs/dbraw/zinc/55/24/16/170552416.db2.gz HAGPRDBQWACDJS-SNVBAGLBSA-N 0 0 237.299 2.306 10 0 BEAERN CCOc1ccc2[nH]cc(CCNC(C)=O)c2c1 ZINC000147760068 170566892 /nfs/dbraw/zinc/56/68/92/170566892.db2.gz SBWRBXMGZBMCCW-UHFFFAOYSA-N 0 0 246.310 2.245 10 0 BEAERN CCOc1cccc(O[C@@H]2CCC[C@@H]2O)c1 ZINC000051845256 170583341 /nfs/dbraw/zinc/58/33/41/170583341.db2.gz ABICHHKKQOITQL-QWHCGFSZSA-N 0 0 222.284 2.378 10 0 BEAERN CCOc1cccc(OC[C@H](C)CO)c1 ZINC000041224885 170583570 /nfs/dbraw/zinc/58/35/70/170583570.db2.gz RUKWRCAEJGHJJS-SNVBAGLBSA-N 0 0 210.273 2.093 10 0 BEAERN CCCc1nccnc1NCCC[C@H](C)CO ZINC000663750293 411739109 /nfs/dbraw/zinc/73/91/09/411739109.db2.gz KEDYQVYXCJXCBW-NSHDSACASA-N 0 0 237.347 2.250 10 0 BEAERN CCOc1ccccc1CN(C)C(=O)CC(C)=O ZINC000037839489 170590613 /nfs/dbraw/zinc/59/06/13/170590613.db2.gz TYWKXFUKJGYEQD-UHFFFAOYSA-N 0 0 249.310 2.023 10 0 BEAERN CCOc1ccccc1OCCC(C)=O ZINC000020368850 170596531 /nfs/dbraw/zinc/59/65/31/170596531.db2.gz PLZIEAZFZKKYDD-UHFFFAOYSA-N 0 0 208.257 2.443 10 0 BEAERN CCOc1ncccc1N[C@@H]1CCSC1 ZINC000037026050 170605301 /nfs/dbraw/zinc/60/53/01/170605301.db2.gz AORCIPGRXNGKOQ-SECBINFHSA-N 0 0 224.329 2.398 10 0 BEAERN CCCc1nccnc1N1CC[C@H](O)C(C)(C)C1 ZINC000663834782 411757529 /nfs/dbraw/zinc/75/75/29/411757529.db2.gz VHCSIQHZWUFSLC-LBPRGKRZSA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1N1CCC[C@@](C)(O)CC1 ZINC000663860338 411764366 /nfs/dbraw/zinc/76/43/66/411764366.db2.gz JDSBQLSJHFESKU-CQSZACIVSA-N 0 0 249.358 2.170 10 0 BEAERN Cc1ccc(NCC2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000663873017 411766728 /nfs/dbraw/zinc/76/67/28/411766728.db2.gz ULNUEQROERDQCA-QWRGUYRKSA-N 0 0 235.331 2.401 10 0 BEAERN CCCc1nccnc1NCC1=CCCOC1 ZINC000663911672 411773202 /nfs/dbraw/zinc/77/32/02/411773202.db2.gz DQQHZVKJFOGOHX-UHFFFAOYSA-N 0 0 233.315 2.188 10 0 BEAERN CCSCCOc1ccccc1C(=O)NC ZINC000127776268 170640042 /nfs/dbraw/zinc/64/00/42/170640042.db2.gz RXSVYSCZPQRIOL-UHFFFAOYSA-N 0 0 239.340 2.178 10 0 BEAERN CCSCc1noc([C@@H]2CCC[C@@H](O)C2)n1 ZINC000304588282 170646478 /nfs/dbraw/zinc/64/64/78/170646478.db2.gz KQVBAOHTJCJHFS-RKDXNWHRSA-N 0 0 242.344 2.341 10 0 BEAERN CCS[C@@H]1CC[C@]1(O)CNc1ccccn1 ZINC000301495520 170649703 /nfs/dbraw/zinc/64/97/03/170649703.db2.gz SRFCDNNRAYOGCQ-PWSUYJOCSA-N 0 0 238.356 2.140 10 0 BEAERN CCSc1ccc(C(=O)N[C@H]2C[C@H]2C)cn1 ZINC000075693145 170654496 /nfs/dbraw/zinc/65/44/96/170654496.db2.gz AFJIVFAWDLSVCP-SCZZXKLOSA-N 0 0 236.340 2.332 10 0 BEAERN CCCc1nccnc1N[C@H]1CC12CCOCC2 ZINC000663970613 411795187 /nfs/dbraw/zinc/79/51/87/411795187.db2.gz GDJIABKYRDHPDB-LBPRGKRZSA-N 0 0 247.342 2.410 10 0 BEAERN CC[C@@H](C)N(C)C(=O)c1sccc1N ZINC000048457720 170722874 /nfs/dbraw/zinc/72/28/74/170722874.db2.gz CNADRXBCAPXYMW-SSDOTTSWSA-N 0 0 212.318 2.201 10 0 BEAERN CCCc1nccnc1N[C@H]1CO[C@H](C)C1 ZINC000664056111 411832094 /nfs/dbraw/zinc/83/20/94/411832094.db2.gz SUDQCVYGQYFQCF-NXEZZACHSA-N 0 0 221.304 2.018 10 0 BEAERN CCCc1nccnc1NCC1(COC)CC1 ZINC000664074113 411839518 /nfs/dbraw/zinc/83/95/18/411839518.db2.gz OFLZDEBUBFLHMM-UHFFFAOYSA-N 0 0 235.331 2.268 10 0 BEAERN CCN1C[C@H](c2cc(N)n[nH]2)Cc2ccccc21 ZINC000616671728 411859631 /nfs/dbraw/zinc/85/96/31/411859631.db2.gz TUKLFEZGCRADAC-LLVKDONJSA-N 0 0 242.326 2.158 10 0 BEAERN CC[C@@H](C)[NH2+][C@](C)(C(=O)[O-])c1ccc(O)cc1 ZINC000038066258 170759537 /nfs/dbraw/zinc/75/95/37/170759537.db2.gz PCOLSLGFSIFMQN-RNCFNFMXSA-N 0 0 237.299 2.080 10 0 BEAERN CC[C@@H](C)OC(=O)c1cc(N)ccc1F ZINC000048265697 170761494 /nfs/dbraw/zinc/76/14/94/170761494.db2.gz CKCSVEYEYQIXOV-SSDOTTSWSA-N 0 0 211.236 2.363 10 0 BEAERN CC[C@@H](C)[C@@H](C)NC(=O)c1sccc1N ZINC000042551151 170773178 /nfs/dbraw/zinc/77/31/78/170773178.db2.gz VRHJERROZAXPBK-HTQZYQBOSA-N 0 0 226.345 2.495 10 0 BEAERN CCN(C(=O)c1ncccc1N)C1CCCCC1 ZINC000132294607 411897200 /nfs/dbraw/zinc/89/72/00/411897200.db2.gz YZDJCSGMBHMPON-UHFFFAOYSA-N 0 0 247.342 2.459 10 0 BEAERN CC[C@@H]1CCCCN1C(=O)c1ncccc1N ZINC000132325498 411897351 /nfs/dbraw/zinc/89/73/51/411897351.db2.gz KWDCRMMAOAPIIR-SNVBAGLBSA-N 0 0 233.315 2.069 10 0 BEAERN CC[C@@H](C)c1ccccc1O[C@H](C)C(N)=O ZINC000058053170 170806113 /nfs/dbraw/zinc/80/61/13/170806113.db2.gz JKYNITLDJFXNTF-NXEZZACHSA-N 0 0 221.300 2.453 10 0 BEAERN CC[C@@H](CC(=O)NCc1ccnn1C)C(C)C ZINC000104244560 170813467 /nfs/dbraw/zinc/81/34/67/170813467.db2.gz FZLNFHHFJGOEKB-NSHDSACASA-N 0 0 237.347 2.109 10 0 BEAERN Nc1ccc2nc(NC3CC(CO)C3)sc2c1 ZINC000664649506 412006427 /nfs/dbraw/zinc/00/64/27/412006427.db2.gz SMVCLITWKPGJOC-UHFFFAOYSA-N 0 0 249.339 2.061 10 0 BEAERN CC[C@@H](Nc1cnn(C)c(=O)c1Cl)C(C)C ZINC000136190464 170916724 /nfs/dbraw/zinc/91/67/24/170916724.db2.gz WHHDDIYXANKZHT-MRVPVSSYSA-N 0 0 243.738 2.280 10 0 BEAERN CC[C@@H](O)Cc1nc(CCc2ccccc2)no1 ZINC000104052925 170937722 /nfs/dbraw/zinc/93/77/22/170937722.db2.gz SWYGNMUVDRDNCV-GFCCVEGCSA-N 0 0 246.310 2.168 10 0 BEAERN CC[C@@H](Sc1ccc(N)cc1Cl)C(N)=O ZINC000061677709 170951204 /nfs/dbraw/zinc/95/12/04/170951204.db2.gz ZWIJRKICWDELSP-MRVPVSSYSA-N 0 0 244.747 2.278 10 0 BEAERN CC[C@@H]1CN(Cc2cc(F)ccc2N)CCO1 ZINC000036768908 171089470 /nfs/dbraw/zinc/08/94/70/171089470.db2.gz VXMXCIUZRPVUST-GFCCVEGCSA-N 0 0 238.306 2.019 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1Cc1ccnc(NC)c1 ZINC000052729864 171110724 /nfs/dbraw/zinc/11/07/24/171110724.db2.gz OMLYBUMUGGYOAZ-WCQYABFASA-N 0 0 249.358 2.123 10 0 BEAERN CC[C@@H]1NCC(=O)c2c3ccccc3[nH]c21 ZINC000073258228 171146565 /nfs/dbraw/zinc/14/65/65/171146565.db2.gz LERUSZXJBLIYRJ-VIFPVBQESA-N 0 0 214.268 2.405 10 0 BEAERN CC[C@@H]1Nc2cc(Cl)ccc2NC1=O ZINC000076887639 171150848 /nfs/dbraw/zinc/15/08/48/171150848.db2.gz WULNYLMJSSNAOT-ZETCQYMHSA-N 0 0 210.664 2.483 10 0 BEAERN CC[C@@H]1Oc2ccc(Cl)cc2NC1=O ZINC000004671643 171153467 /nfs/dbraw/zinc/15/34/67/171153467.db2.gz ISZNNCJTDKUOOM-QMMMGPOBSA-N 0 0 211.648 2.450 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2scnc2C)n1 ZINC000041052963 171172018 /nfs/dbraw/zinc/17/20/18/171172018.db2.gz RMTFPDTVKMZGBY-SNVBAGLBSA-N 0 0 238.316 2.085 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(Cc2ccsc2)n1 ZINC000041052935 171172363 /nfs/dbraw/zinc/17/23/63/171172363.db2.gz LTXAPEDVYNQSQF-LLVKDONJSA-N 0 0 237.328 2.306 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2ncccc2C)n1 ZINC000051813759 171172932 /nfs/dbraw/zinc/17/29/32/171172932.db2.gz IWJDWXVDPVAFLL-GFCCVEGCSA-N 0 0 232.287 2.024 10 0 BEAERN CC[C@@](C)(Nc1ccccc1C)C(N)=O ZINC000037942183 171177916 /nfs/dbraw/zinc/17/79/16/171177916.db2.gz KVZPJQUSDVBPPR-GFCCVEGCSA-N 0 0 206.289 2.061 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)CCc1ccccc1 ZINC000044621952 171236939 /nfs/dbraw/zinc/23/69/39/171236939.db2.gz MTCJLYAPMGAVHA-GFCCVEGCSA-N 0 0 221.300 2.024 10 0 BEAERN CC[C@H](C(C)=O)c1nc(-c2cccnc2)no1 ZINC000104071307 171241576 /nfs/dbraw/zinc/24/15/76/171241576.db2.gz ZQMCPPQMMFDHLV-SNVBAGLBSA-N 0 0 231.255 2.214 10 0 BEAERN CC[C@H](C)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123130494 171249316 /nfs/dbraw/zinc/24/93/16/171249316.db2.gz TYIUGSOWGZTHOZ-AAEUAGOBSA-N 0 0 248.326 2.107 10 0 BEAERN CC[C@H](C)C(=O)N[C@H](C)c1ccccc1N ZINC000037178039 171253645 /nfs/dbraw/zinc/25/36/45/171253645.db2.gz NREBHRDJBSWIDU-VHSXEESVSA-N 0 0 220.316 2.492 10 0 BEAERN CC[C@H](C)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000019390401 171254286 /nfs/dbraw/zinc/25/42/86/171254286.db2.gz HJVYJFCNGVOOJL-CMPLNLGQSA-N 0 0 232.327 2.186 10 0 BEAERN CC[C@H](C)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000191865195 171258871 /nfs/dbraw/zinc/25/88/71/171258871.db2.gz POQZMGNXGOMPNN-RYUDHWBXSA-N 0 0 249.358 2.172 10 0 BEAERN CC[C@H](C)CNC(=O)c1c(C)cccc1N ZINC000054466077 171283938 /nfs/dbraw/zinc/28/39/38/171283938.db2.gz QKMHKMCSVFIVSU-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)CNc1ncnc(Cl)c1N ZINC000062364557 171289302 /nfs/dbraw/zinc/28/93/02/171289302.db2.gz IQDQZWLRZUPKHZ-LURJTMIESA-N 0 0 214.700 2.170 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(F)ccc1N ZINC000037110249 171303851 /nfs/dbraw/zinc/30/38/51/171303851.db2.gz MEBRGGWXMXTRDU-QMMMGPOBSA-N 0 0 224.279 2.278 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1ccc(N)cc1F ZINC000044428014 171304675 /nfs/dbraw/zinc/30/46/75/171304675.db2.gz QSMKNRSFZWHAJZ-QMMMGPOBSA-N 0 0 224.279 2.278 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1sccc1N ZINC000048457724 171305281 /nfs/dbraw/zinc/30/52/81/171305281.db2.gz CNADRXBCAPXYMW-ZETCQYMHSA-N 0 0 212.318 2.201 10 0 BEAERN CC[C@H](C)N(CCOC)CC(=O)c1ccco1 ZINC000042587387 171315245 /nfs/dbraw/zinc/31/52/45/171315245.db2.gz CEPWUDSIIDXYNB-NSHDSACASA-N 0 0 239.315 2.209 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(-c2ccco2)nn1C ZINC000034902832 171336767 /nfs/dbraw/zinc/33/67/67/171336767.db2.gz DURRNSUMYZTGAT-VIFPVBQESA-N 0 0 247.298 2.208 10 0 BEAERN CC[C@H](C)NC(=O)c1ccc(N)cc1C ZINC000044748015 171337811 /nfs/dbraw/zinc/33/78/11/171337811.db2.gz IKJMLCNIBCHVNG-VIFPVBQESA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@H](C)NC(=O)c1nc(NC)ccc1Cl ZINC000050725411 171338365 /nfs/dbraw/zinc/33/83/65/171338365.db2.gz KVYFWZRVMMRSOC-ZETCQYMHSA-N 0 0 241.722 2.305 10 0 BEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000038066041 171345474 /nfs/dbraw/zinc/34/54/74/171345474.db2.gz PKMREHQZCSBEBZ-WRWORJQWSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000038066171 171346809 /nfs/dbraw/zinc/34/68/09/171346809.db2.gz HNPVTCNPHFWKTL-CABZTGNLSA-N 0 0 237.299 2.209 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000038066039 171347081 /nfs/dbraw/zinc/34/70/81/171347081.db2.gz PKMREHQZCSBEBZ-CPCISQLKSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)N[C@H](C(=O)OC)c1ccccc1F ZINC000038067239 171348269 /nfs/dbraw/zinc/34/82/69/171348269.db2.gz IRLXQUSCXHTARB-CABZTGNLSA-N 0 0 239.290 2.428 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(=O)[O-])c1ccc(O)cc1 ZINC000038066259 171348983 /nfs/dbraw/zinc/34/89/83/171348983.db2.gz PCOLSLGFSIFMQN-ZANVPECISA-N 0 0 237.299 2.080 10 0 BEAERN CC[C@H](C)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000019906292 171349706 /nfs/dbraw/zinc/34/97/06/171349706.db2.gz KUIUCKYNRYFUTM-QMMMGPOBSA-N 0 0 232.283 2.123 10 0 BEAERN CC[C@H](C)Nc1ncnc(OC(C)C)c1N ZINC000040795950 171350426 /nfs/dbraw/zinc/35/04/26/171350426.db2.gz BQZNVASBJXSOQP-QMMMGPOBSA-N 0 0 224.308 2.056 10 0 BEAERN CC[C@H](C)Nc1cccc(-c2nn[nH]n2)c1 ZINC000037102136 171350451 /nfs/dbraw/zinc/35/04/51/171350451.db2.gz JNSRNXJMAIOPDE-QMMMGPOBSA-N 0 0 217.276 2.077 10 0 BEAERN CC[C@H](C)OC(=O)c1c(N)cccc1F ZINC000048265575 171350929 /nfs/dbraw/zinc/35/09/29/171350929.db2.gz FPZHKEJHDJDRQT-ZETCQYMHSA-N 0 0 211.236 2.363 10 0 BEAERN CC[C@H](C)O[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000048263528 171355595 /nfs/dbraw/zinc/35/55/95/171355595.db2.gz XIXIYIKTXADIKC-UWVGGRQHSA-N 0 0 236.315 2.411 10 0 BEAERN CC[C@H](C)Sc1ccc(N)cc1C(N)=O ZINC000041046189 171356757 /nfs/dbraw/zinc/35/67/57/171356757.db2.gz JFOPACPSMNJHEL-ZETCQYMHSA-N 0 0 224.329 2.258 10 0 BEAERN CC[C@H](C)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000042193927 171356933 /nfs/dbraw/zinc/35/69/33/171356933.db2.gz MLQLPZNMLNAXBW-LURJTMIESA-N 0 0 249.282 2.119 10 0 BEAERN CC[C@H](C)[C@H](C)N1C(=O)c2ccc(N)cc2C1=O ZINC000042556844 171385848 /nfs/dbraw/zinc/38/58/48/171385848.db2.gz NDVUMAWMFQNXNX-IUCAKERBSA-N 0 0 246.310 2.299 10 0 BEAERN CC[C@@H](C)C[C@H](C)NC(=O)c1ncccc1N ZINC000132755178 412256543 /nfs/dbraw/zinc/25/65/43/412256543.db2.gz RZYHDJNYGFEABL-ZJUUUORDSA-N 0 0 235.331 2.218 10 0 BEAERN CC[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])C(C)C)C1 ZINC000036170017 171616962 /nfs/dbraw/zinc/61/69/62/171616962.db2.gz IYVBRDDGKOLLEW-QWRGUYRKSA-N 0 0 213.321 2.218 10 0 BEAERN CCc1c(Cl)ncnc1N[C@H]1CCO[C@@H]1C ZINC000134584369 171744548 /nfs/dbraw/zinc/74/45/48/171744548.db2.gz MUZOEDMMLABKSS-APPZFPTMSA-N 0 0 241.722 2.282 10 0 BEAERN CCc1cc(=O)c2ccc3c(c2o1)OCO3 ZINC000034623347 171748292 /nfs/dbraw/zinc/74/82/92/171748292.db2.gz FEOYKEIZQKOXKD-UHFFFAOYSA-N 0 0 218.208 2.084 10 0 BEAERN CCc1cc(CC)nc(N[C@H]2CCO[C@@H]2C)n1 ZINC000286494203 171759160 /nfs/dbraw/zinc/75/91/60/171759160.db2.gz MNNNCCLKWOHLTB-SKDRFNHKSA-N 0 0 235.331 2.191 10 0 BEAERN CCc1cc(=S)[nH]c(-c2ccncc2)n1 ZINC000045956186 171773453 /nfs/dbraw/zinc/77/34/53/171773453.db2.gz UZNVFNNOMDYSFG-UHFFFAOYSA-N 0 0 217.297 2.390 10 0 BEAERN CCc1cc2cc(OC)ccc2c(=O)[nH]1 ZINC000039100896 171775868 /nfs/dbraw/zinc/77/58/68/171775868.db2.gz YFIKRHXPIRBCMY-UHFFFAOYSA-N 0 0 203.241 2.099 10 0 BEAERN CCc1cc2cccc(C)c2[nH]c1=NN ZINC000011634027 171776596 /nfs/dbraw/zinc/77/65/96/171776596.db2.gz BVKJHKUNCZCTMN-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN CCc1ccc(-c2nc(COC)cc(NC)n2)o1 ZINC000051723214 171779030 /nfs/dbraw/zinc/77/90/30/171779030.db2.gz BZGQXFZRRPKDHT-UHFFFAOYSA-N 0 0 247.298 2.487 10 0 BEAERN CCc1ccc(CN2CCCNC2=O)cc1 ZINC000045367491 171798697 /nfs/dbraw/zinc/79/86/97/171798697.db2.gz SQQLXCOGCXBCDV-UHFFFAOYSA-N 0 0 218.300 2.164 10 0 BEAERN CCc1ccc(NC(=O)c2ccc(N)nc2)cc1 ZINC000050699512 171819826 /nfs/dbraw/zinc/81/98/26/171819826.db2.gz ZWZDORZVMPEUQN-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CCc1ccc([C@@H](N)c2ncccn2)cc1 ZINC000053297055 171834058 /nfs/dbraw/zinc/83/40/58/171834058.db2.gz DOEOVDYIOABGSB-GFCCVEGCSA-N 0 0 213.284 2.087 10 0 BEAERN CCc1ccc([C@@H]2NC[C@H](C)O[C@@H]2C)o1 ZINC000101419941 171837380 /nfs/dbraw/zinc/83/73/80/171837380.db2.gz ZKMFNBKTKXOQST-YGOYTEALSA-N 0 0 209.289 2.280 10 0 BEAERN CCc1cccc(CC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000123375674 171855147 /nfs/dbraw/zinc/85/51/47/171855147.db2.gz DQMJMRUXMZOULI-GWCFXTLKSA-N 0 0 217.312 2.316 10 0 BEAERN CCc1ccccc1C(=O)NCC1(C)COC1 ZINC000121324337 171872707 /nfs/dbraw/zinc/87/27/07/171872707.db2.gz CRKKJIMUBCPUFP-UHFFFAOYSA-N 0 0 233.311 2.015 10 0 BEAERN CCc1ccccc1C(=O)N[C@H]1C[C@H]1C ZINC000153585251 171874310 /nfs/dbraw/zinc/87/43/10/171874310.db2.gz IGRMGTYLVXBKQZ-SKDRFNHKSA-N 0 0 203.285 2.387 10 0 BEAERN CCc1ccccc1[C@H](NC(C)C)C(=O)OC ZINC000052204279 171893028 /nfs/dbraw/zinc/89/30/28/171893028.db2.gz SVLGPWLTYFRYET-ZDUSSCGKSA-N 0 0 235.327 2.461 10 0 BEAERN CCc1ccnc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000179900243 171902953 /nfs/dbraw/zinc/90/29/53/171902953.db2.gz VXIRKAKKCOCCGH-JTQLQIEISA-N 0 0 220.316 2.418 10 0 BEAERN CCc1ccsc1C(=O)N[C@H]1C[C@H]1C ZINC000075508352 171907336 /nfs/dbraw/zinc/90/73/36/171907336.db2.gz ZGAYGBILXQHHCR-APPZFPTMSA-N 0 0 209.314 2.449 10 0 BEAERN CCc1nc(-c2cccnc2)c(N)n1C1CC1 ZINC000103502077 171939363 /nfs/dbraw/zinc/93/93/63/171939363.db2.gz KIQKHADEECIFLB-UHFFFAOYSA-N 0 0 228.299 2.425 10 0 BEAERN CCc1nc(-c2cccnc2)nc(NC)c1C ZINC000110476655 171939850 /nfs/dbraw/zinc/93/98/50/171939850.db2.gz PBYDBLMJJNQHSK-UHFFFAOYSA-N 0 0 228.299 2.451 10 0 BEAERN CCc1nc(CNC(=O)N2CCCC2)cs1 ZINC000107721501 171983401 /nfs/dbraw/zinc/98/34/01/171983401.db2.gz RKMKDISNNCTXEW-UHFFFAOYSA-N 0 0 239.344 2.011 10 0 BEAERN CCc1nc([C@H](N)c2cccc(Cl)c2)no1 ZINC000036762593 172006754 /nfs/dbraw/zinc/00/67/54/172006754.db2.gz QJIDGRSDXZDWEC-SNVBAGLBSA-N 0 0 237.690 2.334 10 0 BEAERN CCc1nc2ccccc2n1[C@H](C)C(=O)OC ZINC000006024750 172013934 /nfs/dbraw/zinc/01/39/34/172013934.db2.gz OEFNMGDHCQNSJS-SECBINFHSA-N 0 0 232.283 2.333 10 0 BEAERN CCc1nc2n(n1)CCC[C@@H]2NCc1ccco1 ZINC000088757765 172014176 /nfs/dbraw/zinc/01/41/76/172014176.db2.gz USDHSUSKYBZFMR-NSHDSACASA-N 0 0 246.314 2.058 10 0 BEAERN CCc1nc2cnc(C(=O)OC)cc2s1 ZINC000089229191 172014215 /nfs/dbraw/zinc/01/42/15/172014215.db2.gz RJBJBTWCKRAVJX-UHFFFAOYSA-N 0 0 222.269 2.040 10 0 BEAERN CCc1ncc(NC(=O)N[C@H](C)CC2CC2)cn1 ZINC000119269339 172022707 /nfs/dbraw/zinc/02/27/07/172022707.db2.gz RGXGKABZZPCNSX-SECBINFHSA-N 0 0 248.330 2.349 10 0 BEAERN CCc1nnc(CN[C@H](C)c2ccccc2)n1C ZINC000120701066 172053706 /nfs/dbraw/zinc/05/37/06/172053706.db2.gz ZXVKSSZJDJMVHY-LLVKDONJSA-N 0 0 244.342 2.228 10 0 BEAERN CCc1noc([C@H]2CNc3ccccc3O2)n1 ZINC000021814099 172092081 /nfs/dbraw/zinc/09/20/81/172092081.db2.gz YWSDGLPXDLYDLQ-SNVBAGLBSA-N 0 0 231.255 2.178 10 0 BEAERN CCc1nsc(N[C@]2(C)CCCOC2)n1 ZINC000309049860 172107488 /nfs/dbraw/zinc/10/74/88/172107488.db2.gz QIXCEYBFBIBJHA-SNVBAGLBSA-N 0 0 227.333 2.082 10 0 BEAERN CCc1onc(C)c1C(=O)N(CC)CC1CC1 ZINC000112182622 172124190 /nfs/dbraw/zinc/12/41/90/172124190.db2.gz XYOWXXANYJWOPI-UHFFFAOYSA-N 0 0 236.315 2.418 10 0 BEAERN CCc1oncc1NC[C@@H]1CCSC1 ZINC000306351418 172126961 /nfs/dbraw/zinc/12/69/61/172126961.db2.gz XMALMFIRSOGEDY-QMMMGPOBSA-N 0 0 212.318 2.402 10 0 BEAERN CCn1c(C)cc(C(=O)Cn2ccnc2)c1C ZINC000035052311 172134742 /nfs/dbraw/zinc/13/47/42/172134742.db2.gz LIDTZQRUKYPQLU-UHFFFAOYSA-N 0 0 231.299 2.204 10 0 BEAERN CCn1cc(COc2ccc(F)cc2N)cn1 ZINC000020352118 172176946 /nfs/dbraw/zinc/17/69/46/172176946.db2.gz HDDTYHMGXSRKBK-UHFFFAOYSA-N 0 0 235.262 2.203 10 0 BEAERN CCn1cc(C[C@@H](O)c2cccc(F)c2)cn1 ZINC000050541962 172177153 /nfs/dbraw/zinc/17/71/53/172177153.db2.gz AEUUNCUXJGHERK-CYBMUJFWSA-N 0 0 234.274 2.318 10 0 BEAERN CCn1cc(N)cc1C(=O)NC(C)(C)CC ZINC000036860809 172177839 /nfs/dbraw/zinc/17/78/39/172177839.db2.gz CQTDNDLRYYPZNO-UHFFFAOYSA-N 0 0 223.320 2.009 10 0 BEAERN CCn1cc(N)cc1C(=O)NC(C1CC1)C1CC1 ZINC000049234284 172178004 /nfs/dbraw/zinc/17/80/04/172178004.db2.gz BRIWQBQMAYXWCJ-UHFFFAOYSA-N 0 0 247.342 2.009 10 0 BEAERN CCn1cc(N[C@@H](C)C(C)C)ccc1=O ZINC000037773764 172186868 /nfs/dbraw/zinc/18/68/68/172186868.db2.gz HZOSHWIMDZMGLO-JTQLQIEISA-N 0 0 208.305 2.325 10 0 BEAERN CCn1cc([C@H](O)Cc2ccc(C)cc2)cn1 ZINC000051752771 172199016 /nfs/dbraw/zinc/19/90/16/172199016.db2.gz KBJIUBMQTKFLFS-CQSZACIVSA-N 0 0 230.311 2.488 10 0 BEAERN CCn1cccc1C(=O)NCc1cccc(O)c1 ZINC000038032074 172203439 /nfs/dbraw/zinc/20/34/39/172203439.db2.gz XTFWAQGXZPEJII-UHFFFAOYSA-N 0 0 244.294 2.144 10 0 BEAERN CCn1cccc1CNCc1nccs1 ZINC000085609111 172207816 /nfs/dbraw/zinc/20/78/16/172207816.db2.gz XQFSRTOZAFMXHQ-UHFFFAOYSA-N 0 0 221.329 2.254 10 0 BEAERN CCn1ccnc(NC2CCC(C)CC2)c1=O ZINC000061762473 172211248 /nfs/dbraw/zinc/21/12/48/172211248.db2.gz QIJGDROMTRFHIQ-UHFFFAOYSA-N 0 0 235.331 2.254 10 0 BEAERN CCn1ccnc1Oc1cc(F)ccc1N ZINC000050614331 172228056 /nfs/dbraw/zinc/22/80/56/172228056.db2.gz GMKLSZMEOCLSQB-UHFFFAOYSA-N 0 0 221.235 2.417 10 0 BEAERN CCn1ccnc1Oc1cccc(N)c1 ZINC000050614327 172228318 /nfs/dbraw/zinc/22/83/18/172228318.db2.gz CKVSDJPRHRMCQB-UHFFFAOYSA-N 0 0 203.245 2.278 10 0 BEAERN CCn1ccnc1[C@@H](N)c1cc(C)oc1C ZINC000041048459 172229096 /nfs/dbraw/zinc/22/90/96/172229096.db2.gz COMYPBKDNISOFO-NSHDSACASA-N 0 0 219.288 2.161 10 0 BEAERN CCn1ccnc1[C@H](N)c1cccc(F)c1F ZINC000054214674 172229681 /nfs/dbraw/zinc/22/96/81/172229681.db2.gz XRACTNJYVDTQMS-LLVKDONJSA-N 0 0 237.253 2.229 10 0 BEAERN CCn1ccnc1[C@@H](N)c1cccc(F)c1F ZINC000054214676 172229820 /nfs/dbraw/zinc/22/98/20/172229820.db2.gz XRACTNJYVDTQMS-NSHDSACASA-N 0 0 237.253 2.229 10 0 BEAERN CCn1ccnc1[C@@H](NC)c1occc1C ZINC000041048692 172230053 /nfs/dbraw/zinc/23/00/53/172230053.db2.gz JOTSZONPGUBUNB-JTQLQIEISA-N 0 0 219.288 2.113 10 0 BEAERN CCn1nc(-c2cccc(C)c2)cc1N ZINC000041043634 172240919 /nfs/dbraw/zinc/24/09/19/172240919.db2.gz ACTJTEWRGFHGIX-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1nc(C(=O)N2CCC(C)CC2)cc1C ZINC000034901192 172241338 /nfs/dbraw/zinc/24/13/38/172241338.db2.gz RHRNSSRPDLYWDQ-UHFFFAOYSA-N 0 0 235.331 2.084 10 0 BEAERN CCn1nc(-c2ccc(F)cc2)cc1N ZINC000041043640 172241414 /nfs/dbraw/zinc/24/14/14/172241414.db2.gz GDOWQIKORYJBBJ-UHFFFAOYSA-N 0 0 205.236 2.291 10 0 BEAERN CCn1ncc2c1ncc1c2CCCC1 ZINC000034759425 172256191 /nfs/dbraw/zinc/25/61/91/172256191.db2.gz GXOLVQJNRPIDIG-UHFFFAOYSA-N 0 0 201.273 2.330 10 0 BEAERN CN(C(=O)C1CCCCCC1)[C@H]1CCOC1 ZINC000106842386 172299391 /nfs/dbraw/zinc/29/93/91/172299391.db2.gz HHDUDABDFAYZMS-LBPRGKRZSA-N 0 0 225.332 2.204 10 0 BEAERN CN(C(=O)CC(C)(C)C)c1ccncc1N ZINC000042140442 172300823 /nfs/dbraw/zinc/30/08/23/172300823.db2.gz AMRWMMDGFUZSBQ-UHFFFAOYSA-N 0 0 221.304 2.063 10 0 BEAERN CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCOC1 ZINC000106847748 172340964 /nfs/dbraw/zinc/34/09/64/172340964.db2.gz DQRNNDYGKDSJQH-LBPRGKRZSA-N 0 0 244.294 2.029 10 0 BEAERN CN(C(=O)c1cccs1)c1ccncc1N ZINC000042140346 172344419 /nfs/dbraw/zinc/34/44/19/172344419.db2.gz CSTRHIGSQVKBRG-UHFFFAOYSA-N 0 0 233.296 2.002 10 0 BEAERN CN(C)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113145637 172375761 /nfs/dbraw/zinc/37/57/61/172375761.db2.gz ZJGJRUJPXRSMJL-UHFFFAOYSA-N 0 0 248.257 2.111 10 0 BEAERN CN(C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116210690 172378137 /nfs/dbraw/zinc/37/81/37/172378137.db2.gz JDLXSJRKRHNLFM-VIFPVBQESA-N 0 0 208.261 2.098 10 0 BEAERN CN(C)C(=O)c1c(N)scc1C(C)(C)C ZINC000104278007 172387129 /nfs/dbraw/zinc/38/71/29/172387129.db2.gz MZKAMDCOZWLYJX-UHFFFAOYSA-N 0 0 226.345 2.330 10 0 BEAERN CN(C)C(=O)c1c(N)sc2c1CCCCC2 ZINC000104277946 172387260 /nfs/dbraw/zinc/38/72/60/172387260.db2.gz ITEDCRWBEOUOQS-UHFFFAOYSA-N 0 0 238.356 2.301 10 0 BEAERN CN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081531 172387558 /nfs/dbraw/zinc/38/75/58/172387558.db2.gz IKFDINYPKWAPJC-IUCAKERBSA-N 0 0 225.238 2.157 10 0 BEAERN CN(C)C(=O)c1ccc(CC2CC2)c(O)c1 ZINC000095711691 172390109 /nfs/dbraw/zinc/39/01/09/172390109.db2.gz YXLHMTHIGZPJGE-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1ccc(O)cc1C(C)(C)C ZINC000095711565 172390380 /nfs/dbraw/zinc/39/03/80/172390380.db2.gz HOXNRZLGJCYHCG-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1cccc(F)c1OC1CC1 ZINC000095713280 172391226 /nfs/dbraw/zinc/39/12/26/172391226.db2.gz NXVMNIRJXSKPLQ-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN C[NH+](C)[C@]1(C(=O)[O-])CCSc2ccccc21 ZINC000037357998 172542338 /nfs/dbraw/zinc/54/23/38/172542338.db2.gz PBDDWVGBGALUPY-GFCCVEGCSA-N 0 0 237.324 2.024 10 0 BEAERN CN(C)c1c(O)cccc1OCC1CC1 ZINC000095711989 172543765 /nfs/dbraw/zinc/54/37/65/172543765.db2.gz IXTBCFJJORYDPP-UHFFFAOYSA-N 0 0 207.273 2.247 10 0 BEAERN CN(C)c1cccc(C=O)c1OC1CC1 ZINC000095741507 172564550 /nfs/dbraw/zinc/56/45/50/172564550.db2.gz SUPZVWKNVMSMAL-UHFFFAOYSA-N 0 0 205.257 2.106 10 0 BEAERN CN(C)c1nccn2c(-c3ccccc3)cnc12 ZINC000034428809 172585124 /nfs/dbraw/zinc/58/51/24/172585124.db2.gz DOELCXWOYGSAIM-UHFFFAOYSA-N 0 0 238.294 2.462 10 0 BEAERN CN(Cc1cccc(N)c1)C(=O)C1CCC1 ZINC000035359822 172864919 /nfs/dbraw/zinc/86/49/19/172864919.db2.gz FPOWVCYQLJQLDB-UHFFFAOYSA-N 0 0 218.300 2.027 10 0 BEAERN CN(Cc1ccccn1)c1cccc(F)c1N ZINC000037419717 172882960 /nfs/dbraw/zinc/88/29/60/172882960.db2.gz PTENFOQOWPCJJV-UHFFFAOYSA-N 0 0 231.274 2.439 10 0 BEAERN CN(c1cc(F)ccc1N)[C@@H]1CCSC1 ZINC000052120102 172945557 /nfs/dbraw/zinc/94/55/57/172945557.db2.gz SHHTWPNEJZQNMV-SECBINFHSA-N 0 0 226.320 2.350 10 0 BEAERN CN1CCC[C@]1(C)C(=O)OCc1ccccc1 ZINC000066351432 173060775 /nfs/dbraw/zinc/06/07/75/173060775.db2.gz MBONTIKDPBMGLX-CQSZACIVSA-N 0 0 233.311 2.214 10 0 BEAERN CN1CCc2nc3ncccc3c(Cl)c2C1 ZINC000026466180 173174217 /nfs/dbraw/zinc/17/42/17/173174217.db2.gz HZBHFBVPVCANTK-UHFFFAOYSA-N 0 0 233.702 2.271 10 0 BEAERN CN1C[C@@H](c2cccc(Cl)c2)OC1=O ZINC000041225852 173188839 /nfs/dbraw/zinc/18/88/39/173188839.db2.gz GMOSGBFZYSYGLJ-VIFPVBQESA-N 0 0 211.648 2.463 10 0 BEAERN CN1C[C@H](c2noc(C3CCCCC3)n2)CC1=O ZINC000329642447 173195884 /nfs/dbraw/zinc/19/58/84/173195884.db2.gz CVNRIYHMXWMXKF-SNVBAGLBSA-N 0 0 249.314 2.063 10 0 BEAERN CN1C[C@H](c2cccc(Cl)c2)OC1=O ZINC000041225850 173196568 /nfs/dbraw/zinc/19/65/68/173196568.db2.gz GMOSGBFZYSYGLJ-SECBINFHSA-N 0 0 211.648 2.463 10 0 BEAERN CN1N=C(/C=C\c2ccccc2)CCC1=O ZINC000033336297 173201812 /nfs/dbraw/zinc/20/18/12/173201812.db2.gz ALNKXYSIOOSXLW-FPLPWBNLSA-N 0 0 214.268 2.308 10 0 BEAERN CN1Cc2cccc(NC(=O)c3ccco3)c2C1 ZINC000169812634 173202588 /nfs/dbraw/zinc/20/25/88/173202588.db2.gz NEKITTUQVGQPNU-UHFFFAOYSA-N 0 0 242.278 2.477 10 0 BEAERN CNC(=O)CCNc1ccccc1C(F)(F)F ZINC000051692259 173261840 /nfs/dbraw/zinc/26/18/40/173261840.db2.gz YFSQHOYIPWEGHI-UHFFFAOYSA-N 0 0 246.232 2.253 10 0 BEAERN CNC(=O)Cc1csc2ccc(C)cc12 ZINC000000172252 173283912 /nfs/dbraw/zinc/28/39/12/173283912.db2.gz GVCCUWMZFVKIJS-UHFFFAOYSA-N 0 0 219.309 2.498 10 0 BEAERN CNC(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000287005735 173284635 /nfs/dbraw/zinc/28/46/35/173284635.db2.gz FNRLSERVVBAGJF-VIFPVBQESA-N 0 0 224.329 2.470 10 0 BEAERN CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176365370 173284824 /nfs/dbraw/zinc/28/48/24/173284824.db2.gz UQNBQAZOMGNIME-MRVPVSSYSA-N 0 0 225.317 2.010 10 0 BEAERN CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000048922938 173291692 /nfs/dbraw/zinc/29/16/92/173291692.db2.gz AVYIDEMHOJCAMO-LURJTMIESA-N 0 0 230.670 2.469 10 0 BEAERN CNC(=O)Nc1ccc2snc(OC)c2c1 ZINC000003653219 173292972 /nfs/dbraw/zinc/29/29/72/173292972.db2.gz MHXQASBIIBJANE-UHFFFAOYSA-N 0 0 237.284 2.056 10 0 BEAERN CNC(=O)Oc1ccc(C)c2c1OC(C)(C)C2 ZINC000002037600 173293322 /nfs/dbraw/zinc/29/33/22/173293322.db2.gz FMGLKNCPXAFVRR-UHFFFAOYSA-N 0 0 235.283 2.427 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020308196 173295683 /nfs/dbraw/zinc/29/56/83/173295683.db2.gz BHGSUOHOORYBHC-SSDOTTSWSA-N 0 0 246.232 2.252 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccccc1C(C)C ZINC000007919434 173295705 /nfs/dbraw/zinc/29/57/05/173295705.db2.gz BAMBVIBMRQNHHE-SNVBAGLBSA-N 0 0 220.316 2.356 10 0 BEAERN CNC(=O)[C@H](C)Nc1nc2cc(C)ccc2s1 ZINC000042572423 173304122 /nfs/dbraw/zinc/30/41/22/173304122.db2.gz VEKWXKLAZWVLIJ-QMMMGPOBSA-N 0 0 249.339 2.151 10 0 BEAERN CNC(=O)c1c(Cl)cccc1OC1CC1 ZINC000095722119 173309351 /nfs/dbraw/zinc/30/93/51/173309351.db2.gz QPYWDWUTZYITGW-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=O)c1ccc(N[C@@H](C)C2CC2)cc1 ZINC000036957766 173310740 /nfs/dbraw/zinc/31/07/40/173310740.db2.gz NTCCCRDYYGSXNK-VIFPVBQESA-N 0 0 218.300 2.257 10 0 BEAERN CNC(=O)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000038351555 173312985 /nfs/dbraw/zinc/31/29/85/173312985.db2.gz HVXCHFLMMZRZSH-UHFFFAOYSA-N 0 0 241.250 2.183 10 0 BEAERN CNC(=S)[C@]1(c2ccccn2)CCCS1 ZINC000001999555 173316871 /nfs/dbraw/zinc/31/68/71/173316871.db2.gz ITNLONMDUMHEOK-LLVKDONJSA-N 0 0 238.381 2.351 10 0 in-man BEAERN CNC(C)(C)C(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000061172121 173319277 /nfs/dbraw/zinc/31/92/77/173319277.db2.gz WMWFMPFAMFQQKO-ZJUUUORDSA-N 0 0 213.321 2.106 10 0 BEAERN CNCc1nnc(C2CCCCCC2)o1 ZINC000053716365 173397350 /nfs/dbraw/zinc/39/73/50/173397350.db2.gz JVNXXGOHWRTDND-UHFFFAOYSA-N 0 0 209.293 2.227 10 0 BEAERN CNCc1noc([C@H]2Cc3ccccc3S2)n1 ZINC000092234110 173399969 /nfs/dbraw/zinc/39/99/69/173399969.db2.gz BIRGDKUKYRONAB-SNVBAGLBSA-N 0 0 247.323 2.179 10 0 BEAERN CN[C@@H](c1cc(F)cc(F)c1)c1cnccn1 ZINC000055224519 173427385 /nfs/dbraw/zinc/42/73/85/173427385.db2.gz TYRWYVUCEMLTOP-LBPRGKRZSA-N 0 0 235.237 2.064 10 0 BEAERN CNc1c(OC2CC2)ccnc1OC(C)C ZINC000095728255 173471144 /nfs/dbraw/zinc/47/11/44/173471144.db2.gz XSTIRTOHLUWXHD-UHFFFAOYSA-N 0 0 222.288 2.452 10 0 BEAERN CNc1ccc(Cl)cc1C(=O)NC1CC1 ZINC000050725548 173479124 /nfs/dbraw/zinc/47/91/24/173479124.db2.gz RBDCFVHHLFPHHN-UHFFFAOYSA-N 0 0 224.691 2.274 10 0 BEAERN CNc1cnc(Br)c(OC2CC2)c1 ZINC000095729253 173484304 /nfs/dbraw/zinc/48/43/04/173484304.db2.gz RWLGCRDVDJPXOV-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN CNc1nc(C(=O)c2cccs2)cs1 ZINC000057516645 173485849 /nfs/dbraw/zinc/48/58/49/173485849.db2.gz MUZODUKFPHGCBV-UHFFFAOYSA-N 0 0 224.310 2.477 10 0 BEAERN COC(=O)C1(Nc2ccccc2F)CCC1 ZINC000052140444 173515962 /nfs/dbraw/zinc/51/59/62/173515962.db2.gz ZUTHOJZZRFSCNZ-UHFFFAOYSA-N 0 0 223.247 2.333 10 0 BEAERN COC(=O)C12CCCC(C(=O)OC)(CCC1)C2 ZINC000095093243 173516529 /nfs/dbraw/zinc/51/65/29/173516529.db2.gz VBWLOILTVJRMSX-UHFFFAOYSA-N 0 0 240.299 2.063 10 0 BEAERN COC(=O)C[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000034127888 173620928 /nfs/dbraw/zinc/62/09/28/173620928.db2.gz GYQYFDCZPHPZLT-SECBINFHSA-N 0 0 236.267 2.077 10 0 BEAERN COC(=O)Cc1ccc2nc(C)sc2c1 ZINC000034482491 173642855 /nfs/dbraw/zinc/64/28/55/173642855.db2.gz PGPBCMMQZSHRTK-UHFFFAOYSA-N 0 0 221.281 2.320 10 0 BEAERN COC(=O)Nc1cccc2c1CCCN2 ZINC000019816350 173663872 /nfs/dbraw/zinc/66/38/72/173663872.db2.gz AAECOKTYAVGICY-UHFFFAOYSA-N 0 0 206.245 2.223 10 0 BEAERN COC(=O)[C@@H](C)Nc1ncc(Cl)cc1Cl ZINC000035661079 173693250 /nfs/dbraw/zinc/69/32/50/173693250.db2.gz IGSRNCALEFZKGW-RXMQYKEDSA-N 0 0 249.097 2.362 10 0 BEAERN COC(=O)[C@@](C)(N)c1ccc2ccccc2c1 ZINC000037514710 173754741 /nfs/dbraw/zinc/75/47/41/173754741.db2.gz OOQLTVKRXUFFFU-AWEZNQCLSA-N 0 0 229.279 2.187 10 0 BEAERN COC(=O)[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000034743181 173799685 /nfs/dbraw/zinc/79/96/85/173799685.db2.gz AUTFVNPUUPHELI-LLVKDONJSA-N 0 0 221.300 2.157 10 0 BEAERN COC(=O)[C@H](NC1CC1)c1ccc(C)c(F)c1 ZINC000104344076 173803447 /nfs/dbraw/zinc/80/34/47/173803447.db2.gz WPGGCYYPKWSFCX-GFCCVEGCSA-N 0 0 237.274 2.100 10 0 BEAERN COC(=O)c1c[nH]c(-c2ccc(C)c(C)c2)n1 ZINC000051170950 173846294 /nfs/dbraw/zinc/84/62/94/173846294.db2.gz KCZFBTDRAXVHFZ-UHFFFAOYSA-N 0 0 230.267 2.480 10 0 BEAERN COC(=O)c1ccc(-c2ccccn2)nc1C ZINC000072417056 173865604 /nfs/dbraw/zinc/86/56/04/173865604.db2.gz NHBWBIVFDDTVEQ-UHFFFAOYSA-N 0 0 228.251 2.239 10 0 BEAERN COC(=O)c1ccc(CNC(F)(F)F)cc1 ZINC000095076127 173875516 /nfs/dbraw/zinc/87/55/16/173875516.db2.gz ANYBEFXCDKHYGC-UHFFFAOYSA-N 0 0 233.189 2.083 10 0 BEAERN COC(=O)c1ccc(O[C@H]2CCCCO2)cc1 ZINC000036421455 173887338 /nfs/dbraw/zinc/88/73/38/173887338.db2.gz KDMICHPWNLJREW-LBPRGKRZSA-N 0 0 236.267 2.379 10 0 BEAERN COC(=O)c1ccc2c(OC)ccc(OC)c2n1 ZINC000062622532 173890539 /nfs/dbraw/zinc/89/05/39/173890539.db2.gz VBLQRLOQLHZJPW-UHFFFAOYSA-N 0 0 247.250 2.039 10 0 BEAERN COC(=O)c1ccc2onc(Cl)c2c1 ZINC000216658608 173891741 /nfs/dbraw/zinc/89/17/41/173891741.db2.gz OBVPNGIPKWUCHI-UHFFFAOYSA-N 0 0 211.604 2.268 10 0 BEAERN COC(=O)c1cn2c(cccc2C(F)(F)F)n1 ZINC000095093464 173905978 /nfs/dbraw/zinc/90/59/78/173905978.db2.gz VYQLOTGMDANBQV-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN COC(C)(C)c1noc([C@H]2CCCC(=O)N2)n1 ZINC000329549011 173957862 /nfs/dbraw/zinc/95/78/62/173957862.db2.gz CITPZUSRBIVGAO-SSDOTTSWSA-N 0 0 239.275 2.133 10 0 BEAERN COC1(OC)CC(OC(C)C)(OC(C)C)C1 ZINC000261506836 174009501 /nfs/dbraw/zinc/00/95/01/174009501.db2.gz BLBFWKHVNKOABJ-UHFFFAOYSA-N 0 0 232.320 2.316 10 0 BEAERN COC1(c2cccc(O)c2)CCOCC1 ZINC000034419936 174010353 /nfs/dbraw/zinc/01/03/53/174010353.db2.gz RDBQACPZPLQUHO-UHFFFAOYSA-N 0 0 208.257 2.044 10 0 BEAERN COCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127949801 174041441 /nfs/dbraw/zinc/04/14/41/174041441.db2.gz SMHKMLIZNOOOQR-LLVKDONJSA-N 0 0 237.299 2.288 10 0 BEAERN COCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162730962 174054472 /nfs/dbraw/zinc/05/44/72/174054472.db2.gz PKZZCFQIBUIQPA-ZWNOBZJWSA-N 0 0 233.311 2.388 10 0 BEAERN COCC(=O)Nc1cccc(-c2cccnc2)c1 ZINC000082256534 174059215 /nfs/dbraw/zinc/05/92/15/174059215.db2.gz OXSRHZVZJOQKST-UHFFFAOYSA-N 0 0 242.278 2.334 10 0 BEAERN COCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000025510578 174061598 /nfs/dbraw/zinc/06/15/98/174061598.db2.gz OZGXYVJJJYVWAF-UHFFFAOYSA-N 0 0 240.259 2.020 10 0 BEAERN COCCCC(=O)Nc1ccc(Cl)cc1N ZINC000022171926 174168372 /nfs/dbraw/zinc/16/83/72/174168372.db2.gz ZEZCPZLJWAVVDH-UHFFFAOYSA-N 0 0 242.706 2.287 10 0 BEAERN COCCCN(C)c1ccc(N)c2cccnc21 ZINC000062031522 174219808 /nfs/dbraw/zinc/21/98/08/174219808.db2.gz CNJAPIRNHWMADI-UHFFFAOYSA-N 0 0 245.326 2.290 10 0 BEAERN COCCCNc1ccc(N)c2cccnc12 ZINC000035342103 174252101 /nfs/dbraw/zinc/25/21/01/174252101.db2.gz JFHNYKVFLNWRMO-UHFFFAOYSA-N 0 0 231.299 2.265 10 0 BEAERN COCCCOCC(=O)c1ccc(F)cc1F ZINC000037747568 174253823 /nfs/dbraw/zinc/25/38/23/174253823.db2.gz DYUKNQIDKMNHHN-UHFFFAOYSA-N 0 0 244.237 2.201 10 0 BEAERN COCCCOCc1ccc(C(=O)OC)cc1 ZINC000037746761 174254911 /nfs/dbraw/zinc/25/49/11/174254911.db2.gz IFZHDWOUEOQPCK-UHFFFAOYSA-N 0 0 238.283 2.026 10 0 BEAERN COCCCOc1cc(Br)ccn1 ZINC000059790104 174257108 /nfs/dbraw/zinc/25/71/08/174257108.db2.gz UEJGYTKFGBKKOG-UHFFFAOYSA-N 0 0 246.104 2.259 10 0 BEAERN COCCCOc1ccc([C@@H](C)O)cc1OC ZINC000037753973 174257161 /nfs/dbraw/zinc/25/71/61/174257161.db2.gz PCYNIDYSSHMRJA-SNVBAGLBSA-N 0 0 240.299 2.164 10 0 BEAERN COCCN(C)c1c(N)cccc1Cl ZINC000042459208 174283583 /nfs/dbraw/zinc/28/35/83/174283583.db2.gz WQHZNICLDDXOQV-UHFFFAOYSA-N 0 0 214.696 2.005 10 0 BEAERN COCCNC(=O)CCCc1ccc(C)cc1 ZINC000040644387 174319216 /nfs/dbraw/zinc/31/92/16/174319216.db2.gz UUOOVHASUCFXGU-UHFFFAOYSA-N 0 0 235.327 2.080 10 0 BEAERN COCCNc1ccc(C(F)(F)F)cc1N ZINC000020381518 174341152 /nfs/dbraw/zinc/34/11/52/174341152.db2.gz VCAOBCJGRPAHOF-UHFFFAOYSA-N 0 0 234.221 2.346 10 0 BEAERN COCCNc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000053751120 174342508 /nfs/dbraw/zinc/34/25/08/174342508.db2.gz WSDMCXOAWCMUPU-UWVGGRQHSA-N 0 0 239.319 2.422 10 0 BEAERN COCCSCC(=O)Nc1cccc(C)c1 ZINC000045024455 174374283 /nfs/dbraw/zinc/37/42/83/174374283.db2.gz LWTZIHOTNMNEGR-UHFFFAOYSA-N 0 0 239.340 2.313 10 0 BEAERN COCC[C@@H](C)Nc1ccc(SC)nn1 ZINC000301246318 174386341 /nfs/dbraw/zinc/38/63/41/174386341.db2.gz HVRHKCWVNWZHSO-MRVPVSSYSA-N 0 0 227.333 2.035 10 0 BEAERN COCCc1[nH]nc(N)c1-c1ccc(C)cc1 ZINC000041257457 174422504 /nfs/dbraw/zinc/42/25/04/174422504.db2.gz DOJOLAGJNWQZRP-UHFFFAOYSA-N 0 0 231.299 2.156 10 0 BEAERN COCCc1noc(N)c1-c1cccc(OC)c1 ZINC000040908022 174427212 /nfs/dbraw/zinc/42/72/12/174427212.db2.gz ZYGFWOFATJAEFI-UHFFFAOYSA-N 0 0 248.282 2.121 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1ccc(F)cc1 ZINC000103383087 174434194 /nfs/dbraw/zinc/43/41/94/174434194.db2.gz XUODETULQICJLA-SECBINFHSA-N 0 0 225.263 2.071 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(C(C)=O)cc1 ZINC000103356238 174439152 /nfs/dbraw/zinc/43/91/52/174439152.db2.gz AHJOIBYWVGKJOP-SECBINFHSA-N 0 0 236.267 2.077 10 0 BEAERN COC[C@H](C)C(=O)N1CCc2cccc(C)c21 ZINC000171452540 174525575 /nfs/dbraw/zinc/52/55/75/174525575.db2.gz XRSCUKIUCYRWAD-NSHDSACASA-N 0 0 233.311 2.167 10 0 BEAERN COC[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000103357325 174528464 /nfs/dbraw/zinc/52/84/64/174528464.db2.gz DLTQSSKWJJMBAB-FZMZJTMJSA-N 0 0 247.338 2.463 10 0 BEAERN COC[C@H](C)Nc1ccc(F)c(F)c1 ZINC000053172225 174553257 /nfs/dbraw/zinc/55/32/57/174553257.db2.gz ORRRVSJLLDBFGB-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN COCc1ccc(CNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075979389 174624653 /nfs/dbraw/zinc/62/46/53/174624653.db2.gz IPKPFXOPIUAPAT-GWCFXTLKSA-N 0 0 248.326 2.041 10 0 BEAERN CON(c1cc(Cl)nc(N)n1)C1CCCC1 ZINC000302138792 174662348 /nfs/dbraw/zinc/66/23/48/174662348.db2.gz NVAYWACNIDAHKY-UHFFFAOYSA-N 0 0 242.710 2.023 10 0 BEAERN COP(=O)(OC)C(SC)SC ZINC000002572411 174670187 /nfs/dbraw/zinc/67/01/87/174670187.db2.gz CAHXAVHWMLFWIT-UHFFFAOYSA-N 0 0 216.264 2.482 10 0 BEAERN CO[C@@H](C)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114439348 174676746 /nfs/dbraw/zinc/67/67/46/174676746.db2.gz AFHNVIFZBFFLRM-JSGCOSHPSA-N 0 0 237.343 2.370 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1ccc(F)cn1 ZINC000050374480 174750502 /nfs/dbraw/zinc/75/05/02/174750502.db2.gz IGXAIXVHYHJWQH-VHSXEESVSA-N 0 0 210.252 2.200 10 0 BEAERN CO[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103054006 174806101 /nfs/dbraw/zinc/80/61/01/174806101.db2.gz VVSPVNWOCTZWEY-IJLUTSLNSA-N 0 0 227.348 2.352 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1ccc(Cl)nn1 ZINC000050374881 174882040 /nfs/dbraw/zinc/88/20/40/174882040.db2.gz XCDCLMDMMRLXOM-YUMQZZPRSA-N 0 0 227.695 2.109 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1cc(C)nc(Cl)n1 ZINC000052815006 174882080 /nfs/dbraw/zinc/88/20/80/174882080.db2.gz IHGPUCNRVGRFRU-IUCAKERBSA-N 0 0 241.722 2.418 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1cc(C)c(C)nn1 ZINC000302821335 174882477 /nfs/dbraw/zinc/88/24/77/174882477.db2.gz QHWXTOXZRCJUHW-QWRGUYRKSA-N 0 0 221.304 2.073 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1ccc(C)cn1 ZINC000050374961 174882603 /nfs/dbraw/zinc/88/26/03/174882603.db2.gz CYCLQEYDEYMBFR-QWRGUYRKSA-N 0 0 206.289 2.369 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cc(C)c(C)nn1 ZINC000302821333 174883489 /nfs/dbraw/zinc/88/34/89/174883489.db2.gz QHWXTOXZRCJUHW-MNOVXSKESA-N 0 0 221.304 2.073 10 0 BEAERN COc1cc(C)c(N[C@H]2CCOC2)cc1OC ZINC000104064850 174960809 /nfs/dbraw/zinc/96/08/09/174960809.db2.gz LOXBITGIBCHNKD-JTQLQIEISA-N 0 0 237.299 2.213 10 0 BEAERN COc1cc(CO)ccc1OCc1ccncc1 ZINC000020032053 174987077 /nfs/dbraw/zinc/98/70/77/174987077.db2.gz ODIYLXMDJPSNPP-UHFFFAOYSA-N 0 0 245.278 2.162 10 0 BEAERN COc1cc(F)ccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000170824405 174994670 /nfs/dbraw/zinc/99/46/70/174994670.db2.gz LRZIIYMKEZLONF-OIBJUYFYSA-N 0 0 238.262 2.364 10 0 BEAERN COc1cc(F)ccc1NCc1cncnc1 ZINC000054768135 174994850 /nfs/dbraw/zinc/99/48/50/174994850.db2.gz MXUSJDUAHFZMKH-UHFFFAOYSA-N 0 0 233.246 2.236 10 0 BEAERN COc1cc2scnc2c(NC(C)=O)c1 ZINC000045237537 175000710 /nfs/dbraw/zinc/00/07/10/175000710.db2.gz UCZPMWJHOYXZSY-UHFFFAOYSA-N 0 0 222.269 2.263 10 0 BEAERN COc1cc(OC)c([C@@H](O)C(C)C)c(OC)c1 ZINC000040246534 175007993 /nfs/dbraw/zinc/00/79/93/175007993.db2.gz JJAWACGHTJSMSH-ZDUSSCGKSA-N 0 0 240.299 2.402 10 0 BEAERN COc1cc(OC2CC2)c(Br)cn1 ZINC000095730602 175012555 /nfs/dbraw/zinc/01/25/55/175012555.db2.gz XUMHUENWPKVOLU-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN COc1cc2[nH]c(=O)cc(Cl)c2cc1OC ZINC000026543553 175019033 /nfs/dbraw/zinc/01/90/33/175019033.db2.gz XZDUQBMRONWUHF-UHFFFAOYSA-N 0 0 239.658 2.199 10 0 BEAERN COc1cc2c(c(O)c1C)CO[C@@H](C)C2 ZINC000001842389 175019645 /nfs/dbraw/zinc/01/96/45/175019645.db2.gz OQMJILQCXYKZEM-ZETCQYMHSA-N 0 0 208.257 2.170 10 0 endogenous,in-man BEAERN COc1cc2c(c(OC)c1OC)C[C@H](C)CN2 ZINC000011633217 175020487 /nfs/dbraw/zinc/02/04/87/175020487.db2.gz XNSOMBYZGJNQCU-QMMMGPOBSA-N 0 0 237.299 2.317 10 0 BEAERN COc1cc2c(c(OC)c1OC)NCCC2 ZINC000057952674 175020705 /nfs/dbraw/zinc/02/07/05/175020705.db2.gz JWXKUFXXEUIGLF-UHFFFAOYSA-N 0 0 223.272 2.071 10 0 BEAERN COc1cc2c(cc1Cl)NCCC2=O ZINC000082373035 175022325 /nfs/dbraw/zinc/02/23/25/175022325.db2.gz CRLRSNYJAQOURF-UHFFFAOYSA-N 0 0 211.648 2.347 10 0 BEAERN COc1cc2sc(C)nc2cc1C=O ZINC000045236751 175029085 /nfs/dbraw/zinc/02/90/85/175029085.db2.gz XUQWPCZZSOQCRX-UHFFFAOYSA-N 0 0 207.254 2.426 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)c(C)c1 ZINC000065355797 175030323 /nfs/dbraw/zinc/03/03/23/175030323.db2.gz QINVXHRSKZYJMX-UHFFFAOYSA-N 0 0 215.252 2.359 10 0 BEAERN COc1ccc(-c2cnc([C@@H](C)N)o2)c(OC)c1 ZINC000036171826 175036947 /nfs/dbraw/zinc/03/69/47/175036947.db2.gz QKBRKZRZHMDKNT-MRVPVSSYSA-N 0 0 248.282 2.379 10 0 BEAERN COc1ccc(-c2c[nH]cn2)cc1OC ZINC000041212565 175037012 /nfs/dbraw/zinc/03/70/12/175037012.db2.gz XLIYXBFIOTYVDY-UHFFFAOYSA-N 0 0 204.229 2.094 10 0 BEAERN COc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000037947675 175038701 /nfs/dbraw/zinc/03/87/01/175038701.db2.gz LIQZMFBYFSHFLG-UHFFFAOYSA-N 0 0 230.267 2.062 10 0 BEAERN COc1ccc(-c2nc(N)ncc2C)cc1 ZINC000001767187 175039357 /nfs/dbraw/zinc/03/93/57/175039357.db2.gz YZAQLTNGFLOKJA-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccc(-c2nnc(C(C)C)o2)cc1N ZINC000050308847 175041593 /nfs/dbraw/zinc/04/15/93/175041593.db2.gz XNOQCLVAGHISNS-UHFFFAOYSA-N 0 0 233.271 2.451 10 0 BEAERN COc1ccc(-c2ncsc2N)cc1OC ZINC000050307974 175041707 /nfs/dbraw/zinc/04/17/07/175041707.db2.gz QLDGYMFTRVNZHA-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COc1ccc(-c2nsc(N)n2)cc1C ZINC000050596930 175043510 /nfs/dbraw/zinc/04/35/10/175043510.db2.gz PDBGSRZVGHRKGM-UHFFFAOYSA-N 0 0 221.285 2.104 10 0 BEAERN COc1ccc(C(=O)CCC(C)=O)cc1 ZINC000021995444 175054099 /nfs/dbraw/zinc/05/40/99/175054099.db2.gz CVFRDQUUQZKDMJ-UHFFFAOYSA-N 0 0 206.241 2.247 10 0 BEAERN COc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000336590076 175057860 /nfs/dbraw/zinc/05/78/60/175057860.db2.gz WQZLGFHQLDHYME-ZANVPECISA-N 0 0 249.285 2.459 10 0 BEAERN COc1ccc(C(=O)c2cncc(F)c2)cc1 ZINC000049576038 175066669 /nfs/dbraw/zinc/06/66/69/175066669.db2.gz CCHBRXTVVMYCLQ-UHFFFAOYSA-N 0 0 231.226 2.460 10 0 BEAERN COc1ccc(C(C)C)cc1[C@](C)([NH3+])C(=O)[O-] ZINC000003677112 175069959 /nfs/dbraw/zinc/06/99/59/175069959.db2.gz ZIFNFNYWDFPHOF-ZDUSSCGKSA-N 0 0 237.299 2.077 10 0 BEAERN COc1ccc(C)c2c(C=O)cn(C)c21 ZINC000059731257 175070824 /nfs/dbraw/zinc/07/08/24/175070824.db2.gz WGGDBYWJCGHYSJ-UHFFFAOYSA-N 0 0 203.241 2.308 10 0 BEAERN COc1ccc(C)c2c1NC(=O)C2(C)C ZINC000082593390 175071034 /nfs/dbraw/zinc/07/10/34/175071034.db2.gz LRQAGTFUVDZWNW-UHFFFAOYSA-N 0 0 205.257 2.233 10 0 BEAERN COc1ccc(C)c2ccc(C=O)nc12 ZINC000001526728 175071664 /nfs/dbraw/zinc/07/16/64/175071664.db2.gz NSSSGPVTNCXGNI-UHFFFAOYSA-N 0 0 201.225 2.364 10 0 BEAERN COc1ccc(C)cc1-c1cc(=O)cc[nH]1 ZINC000065355793 175071904 /nfs/dbraw/zinc/07/19/04/175071904.db2.gz TWTQWQSRVHMGGM-UHFFFAOYSA-N 0 0 215.252 2.359 10 0 BEAERN COc1ccc(C)cc1-c1conc1N ZINC000049812842 175072084 /nfs/dbraw/zinc/07/20/84/175072084.db2.gz XYGFVMOUNNPCAP-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(C)cc1-c1cnc(CN)o1 ZINC000011586997 175072090 /nfs/dbraw/zinc/07/20/90/175072090.db2.gz PLGKQLJMNMBHFC-UHFFFAOYSA-N 0 0 218.256 2.117 10 0 BEAERN COc1ccc(C)cc1N[C@H]1CCCCNC1=O ZINC000020048954 175078322 /nfs/dbraw/zinc/07/83/22/175078322.db2.gz KFAOFJDZXPPYIX-NSHDSACASA-N 0 0 248.326 2.084 10 0 BEAERN COc1ccc(C)cc1NCc1cncnc1 ZINC000054766937 175078339 /nfs/dbraw/zinc/07/83/39/175078339.db2.gz GHWQQUQPJCUBKN-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN COc1ccc(C2CC([NH2+][C@H](C)C(=O)[O-])C2)cc1 ZINC000049356494 175085425 /nfs/dbraw/zinc/08/54/25/175085425.db2.gz VEOPILWRNYLCAG-OIKLOGQESA-N 0 0 249.310 2.004 10 0 BEAERN COc1ccc(CC[C@@H](C)O)cc1OC ZINC000062153352 175092711 /nfs/dbraw/zinc/09/27/11/175092711.db2.gz DKYHDSPGDWQBKD-SECBINFHSA-N 0 0 210.273 2.017 10 0 BEAERN COc1ccc(CC[C@H](C)O)cc1OC ZINC000062153351 175093727 /nfs/dbraw/zinc/09/37/27/175093727.db2.gz DKYHDSPGDWQBKD-VIFPVBQESA-N 0 0 210.273 2.017 10 0 BEAERN COc1ccc(COCc2ccc(N)nc2)cc1 ZINC000050832630 175114045 /nfs/dbraw/zinc/11/40/45/175114045.db2.gz CPGXEAPFPSFUHT-UHFFFAOYSA-N 0 0 244.294 2.389 10 0 BEAERN COc1ccc(C[C@H](C)[C@H](C)O)cc1F ZINC000041226263 175116998 /nfs/dbraw/zinc/11/69/98/175116998.db2.gz KQKPDDWAVWYDSZ-IUCAKERBSA-N 0 0 212.264 2.394 10 0 BEAERN COc1ccc(C[S@@](=O)C(C)(C)C)cc1N ZINC000040966511 175118034 /nfs/dbraw/zinc/11/80/34/175118034.db2.gz VCXDBXLHJBUFHQ-INIZCTEOSA-N 0 0 241.356 2.325 10 0 BEAERN COc1ccc(N)cc1NC(=O)c1occc1C ZINC000021965653 175138188 /nfs/dbraw/zinc/13/81/88/175138188.db2.gz HXINXCRYMLZUQH-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NC(=O)C=C(C)C)cc1N ZINC000036269907 175140341 /nfs/dbraw/zinc/14/03/41/175140341.db2.gz VUOOTYBUHRMOHO-UHFFFAOYSA-N 0 0 220.272 2.182 10 0 BEAERN COc1ccc(NC(=O)CC2CC2)c(N)c1 ZINC000049728686 175141959 /nfs/dbraw/zinc/14/19/59/175141959.db2.gz IACQGYDBQDUHHV-UHFFFAOYSA-N 0 0 220.272 2.016 10 0 BEAERN COc1ccc(NC(=O)CCCO)cc1Cl ZINC000041289430 175141971 /nfs/dbraw/zinc/14/19/71/175141971.db2.gz KOKMHJPZIRYVAM-UHFFFAOYSA-N 0 0 243.690 2.060 10 0 BEAERN COc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000190269508 175146996 /nfs/dbraw/zinc/14/69/96/175146996.db2.gz NFPPQTMGMWOTFC-GWCFXTLKSA-N 0 0 249.310 2.449 10 0 BEAERN COc1ccc(NC(=O)c2ccoc2)c(N)c1 ZINC000021962033 175147619 /nfs/dbraw/zinc/14/76/19/175147619.db2.gz KVNAPTHFEYBZLU-UHFFFAOYSA-N 0 0 232.239 2.123 10 0 BEAERN COc1ccc(NC(=O)c2ccoc2C)c(N)c1 ZINC000021967745 175148298 /nfs/dbraw/zinc/14/82/98/175148298.db2.gz ZUTKWFSCPBWTDI-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NC(=O)c2occc2C)c(N)c1 ZINC000022147484 175148777 /nfs/dbraw/zinc/14/87/77/175148777.db2.gz KLYUIPBCKPIPMT-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NC(=O)c2ccoc2C)cc1N ZINC000036269773 175148909 /nfs/dbraw/zinc/14/89/09/175148909.db2.gz KLBBHNOBAMJYCS-UHFFFAOYSA-N 0 0 246.266 2.431 10 0 BEAERN COc1ccc(NCC(=O)NC2CCCC2)cc1 ZINC000020056179 175149251 /nfs/dbraw/zinc/14/92/51/175149251.db2.gz DYLUFDKGJHYFDK-UHFFFAOYSA-N 0 0 248.326 2.166 10 0 BEAERN COc1ccc(NCCC(=O)NC(C)C)cc1 ZINC000048132601 175150742 /nfs/dbraw/zinc/15/07/42/175150742.db2.gz GUTQLSXMHIRAKS-UHFFFAOYSA-N 0 0 236.315 2.022 10 0 BEAERN COc1ccc(NC[C@H]2CCCCO2)cn1 ZINC000036230956 175151250 /nfs/dbraw/zinc/15/12/50/175151250.db2.gz DLIICEXMAHGMGQ-LLVKDONJSA-N 0 0 222.288 2.071 10 0 BEAERN COc1ccc(NC[C@@H]2CCOC2)cc1C ZINC000049528358 175151721 /nfs/dbraw/zinc/15/17/21/175151721.db2.gz FBHUULDESRGZRQ-NSHDSACASA-N 0 0 221.300 2.452 10 0 BEAERN COc1ccc(NCc2ccncc2)cc1O ZINC000037134616 175152484 /nfs/dbraw/zinc/15/24/84/175152484.db2.gz XFFZIROBWNEECG-UHFFFAOYSA-N 0 0 230.267 2.408 10 0 BEAERN COc1ccc(NCc2ccc[nH]2)cn1 ZINC000051787843 175152595 /nfs/dbraw/zinc/15/25/95/175152595.db2.gz QZMJNKNRUFRPDD-UHFFFAOYSA-N 0 0 203.245 2.030 10 0 BEAERN COc1ccc(NCc2cccn2C)cc1O ZINC000050595742 175152606 /nfs/dbraw/zinc/15/26/06/175152606.db2.gz PXFTWTIIOXGPFR-UHFFFAOYSA-N 0 0 232.283 2.351 10 0 BEAERN COc1ccc(NN)c(Cl)c1Cl ZINC000083256534 175152869 /nfs/dbraw/zinc/15/28/69/175152869.db2.gz NYOKRXJBDFRFKV-UHFFFAOYSA-N 0 0 207.060 2.288 10 0 BEAERN COc1ccc(N[C@@H](C)CCCO)cc1 ZINC000058826878 175153228 /nfs/dbraw/zinc/15/32/28/175153228.db2.gz RRASNKGCZNQMFK-JTQLQIEISA-N 0 0 209.289 2.268 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@H]2O)cc1C ZINC000049530112 175153866 /nfs/dbraw/zinc/15/38/66/175153866.db2.gz URCJFCYJOZMNQW-VXGBXAGGSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037691304 175154064 /nfs/dbraw/zinc/15/40/64/175154064.db2.gz ISSYUPPJBKVIRT-OLZOCXBDSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccc(N[C@H](C)C(=O)NC(C)C)cc1 ZINC000020304465 175154567 /nfs/dbraw/zinc/15/45/67/175154567.db2.gz KCTVBUFGSAIQIK-SNVBAGLBSA-N 0 0 236.315 2.020 10 0 BEAERN COc1ccc(N[C@H]2CCCSC2)cn1 ZINC000061570574 175155249 /nfs/dbraw/zinc/15/52/49/175155249.db2.gz TWFKFGFPKCQCAT-JTQLQIEISA-N 0 0 224.329 2.398 10 0 BEAERN COc1ccc(OC)c(-c2ncsc2N)c1 ZINC000050308004 175163456 /nfs/dbraw/zinc/16/34/56/175163456.db2.gz NNZNKJOKJKTSEB-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN COc1ccc(OC)c(CNc2cncnc2)c1 ZINC000083373645 175166233 /nfs/dbraw/zinc/16/62/33/175166233.db2.gz DSRPZMCQWKCHSH-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1ccc(OC)c([C@@H]2CC[C@@H](O)C2)c1 ZINC000057514800 175167701 /nfs/dbraw/zinc/16/77/01/175167701.db2.gz IKQCBFYFEMGXDD-NXEZZACHSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc(OC)c([C@H](O)C(C)C)c1 ZINC000032012374 175168865 /nfs/dbraw/zinc/16/88/65/175168865.db2.gz QEUSADCXJYHFBM-GFCCVEGCSA-N 0 0 210.273 2.393 10 0 BEAERN COc1ccc(OC2CC2)c(OC(C)C)n1 ZINC000095728179 175171331 /nfs/dbraw/zinc/17/13/31/175171331.db2.gz KDHSGAPGCKECKD-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1ccc(Oc2c(N)c(C)nn2C)cc1 ZINC000036749499 175174001 /nfs/dbraw/zinc/17/40/01/175174001.db2.gz MFKIYTMJISUXHQ-UHFFFAOYSA-N 0 0 233.271 2.112 10 0 BEAERN COc1ccc([C@@H](N)c2ccco2)c(F)c1 ZINC000036766497 175180231 /nfs/dbraw/zinc/18/02/31/175180231.db2.gz VNYMFKQGFVJMAI-GFCCVEGCSA-N 0 0 221.231 2.475 10 0 BEAERN COc1ccc([C@@H](O)C(C)C)c(OC)c1OC ZINC000041066664 175180792 /nfs/dbraw/zinc/18/07/92/175180792.db2.gz XQWVERJYYKSIRL-NSHDSACASA-N 0 0 240.299 2.402 10 0 BEAERN COc1ccc([C@@H](O)Cn2nc(C)cc2C)cc1 ZINC000041297313 175181174 /nfs/dbraw/zinc/18/11/74/175181174.db2.gz TXIFENWJYGVQQJ-AWEZNQCLSA-N 0 0 246.310 2.242 10 0 BEAERN COc1ccc([C@H](O)c2ccc(F)cc2)cn1 ZINC000144234169 175193776 /nfs/dbraw/zinc/19/37/76/175193776.db2.gz YXWCRKGOTYNBRL-CYBMUJFWSA-N 0 0 233.242 2.311 10 0 BEAERN COc1ccc([C@H](O)c2ccncc2)cc1F ZINC000040263041 175193783 /nfs/dbraw/zinc/19/37/83/175193783.db2.gz NZSSVAUVLHSIGD-CYBMUJFWSA-N 0 0 233.242 2.311 10 0 BEAERN COc1ccc2c(N)ccc(OC)c2c1 ZINC000036467093 175205016 /nfs/dbraw/zinc/20/50/16/175205016.db2.gz SOOHSUVRCJJTTN-UHFFFAOYSA-N 0 0 203.241 2.439 10 0 BEAERN COc1ccc2c(Cl)cc(N)nc2c1 ZINC000034216302 175205086 /nfs/dbraw/zinc/20/50/86/175205086.db2.gz LNYZXZVWQOHRPE-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1ccc2c(c1)C1=CCC[C@H]1C(=O)O2 ZINC000085345405 175206485 /nfs/dbraw/zinc/20/64/85/175206485.db2.gz DZNJJXCAOYABQX-SNVBAGLBSA-N 0 0 216.236 2.408 10 0 BEAERN COc1ccc2c(c1)C(C)(C)OC(=O)N2 ZINC000039093478 175206826 /nfs/dbraw/zinc/20/68/26/175206826.db2.gz AUPQAHQBZQSDEO-UHFFFAOYSA-N 0 0 207.229 2.492 10 0 BEAERN COc1ccc2c(c1)CCC[C@H]2n1nccc1N ZINC000019384883 175208793 /nfs/dbraw/zinc/20/87/93/175208793.db2.gz YYEFUWZJYSNOAE-CYBMUJFWSA-N 0 0 243.310 2.400 10 0 BEAERN COc1ccc2c(c1OC)C(=O)[C@@H](C)C2 ZINC000027654583 175221985 /nfs/dbraw/zinc/22/19/85/175221985.db2.gz UCMACRIRPLDMDR-ZETCQYMHSA-N 0 0 206.241 2.079 10 0 BEAERN COc1ccc2ccc(OC)c(N)c2c1N ZINC000082286900 175225478 /nfs/dbraw/zinc/22/54/78/175225478.db2.gz RXGBZEPNCUJKKM-UHFFFAOYSA-N 0 0 218.256 2.021 10 0 BEAERN COc1ccc2nc(C)cc(C(N)=S)c2c1 ZINC000082468816 175227474 /nfs/dbraw/zinc/22/74/74/175227474.db2.gz HNOXEUCLCCUBGU-UHFFFAOYSA-N 0 0 232.308 2.186 10 0 BEAERN COc1cccc(C(=O)N2CCC[C@@H]2C)c1F ZINC000127955979 175243606 /nfs/dbraw/zinc/24/36/06/175243606.db2.gz PVOOYJXNWGAXOP-VIFPVBQESA-N 0 0 237.274 2.459 10 0 BEAERN COc1cccc(C(=O)Nc2ccccn2)c1O ZINC000019837367 175246593 /nfs/dbraw/zinc/24/65/93/175246593.db2.gz AFUVIEHUQVPXRI-UHFFFAOYSA-N 0 0 244.250 2.048 10 0 BEAERN COc1cccc(CCn2cn[nH]c2=S)c1 ZINC000077370984 175253229 /nfs/dbraw/zinc/25/32/29/175253229.db2.gz FAZOYPZJTSBPQN-UHFFFAOYSA-N 0 0 235.312 2.192 10 0 BEAERN COc1cccc(CNc2ncco2)c1 ZINC000008699330 175269092 /nfs/dbraw/zinc/26/90/92/175269092.db2.gz WTAWOQGHECRGHG-UHFFFAOYSA-N 0 0 204.229 2.295 10 0 BEAERN COc1cccc(CNc2ccc(N)nc2)c1 ZINC000038077942 175269158 /nfs/dbraw/zinc/26/91/58/175269158.db2.gz BVCYOXWCSBCWQZ-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN COc1cccc(C[C@@H](O)c2ccncc2)c1 ZINC000053783075 175271309 /nfs/dbraw/zinc/27/13/09/175271309.db2.gz YASLOVPPFXVTRD-CQSZACIVSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc(C[C@H](O)c2ccncc2)c1 ZINC000053783074 175272317 /nfs/dbraw/zinc/27/23/17/175272317.db2.gz YASLOVPPFXVTRD-AWEZNQCLSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc(NCCCCCO)c1 ZINC000049814571 175278078 /nfs/dbraw/zinc/27/80/78/175278078.db2.gz ZKOVTBGVWHQPST-UHFFFAOYSA-N 0 0 209.289 2.270 10 0 BEAERN COc1cccc(NC[C@H]2CCCO2)c1 ZINC000020055728 175279237 /nfs/dbraw/zinc/27/92/37/175279237.db2.gz GSUWPDSUWVBYGG-GFCCVEGCSA-N 0 0 207.273 2.286 10 0 BEAERN COc1cccc(NC[C@H]2CCOC2)c1 ZINC000019964168 175279341 /nfs/dbraw/zinc/27/93/41/175279341.db2.gz LQZGSVPVANDBPB-SNVBAGLBSA-N 0 0 207.273 2.144 10 0 BEAERN COc1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000037691291 175280369 /nfs/dbraw/zinc/28/03/69/175280369.db2.gz OVTBENIXXOONJI-CHWSQXEVSA-N 0 0 221.300 2.411 10 0 BEAERN COc1cccc(S[C@@H](C)CNC(C)=O)c1 ZINC000058592548 175285809 /nfs/dbraw/zinc/28/58/09/175285809.db2.gz JXAUKESHFHRNAG-VIFPVBQESA-N 0 0 239.340 2.312 10 0 BEAERN COc1cccc([C@@](C)(O)c2cccnc2)c1 ZINC000037761300 175291541 /nfs/dbraw/zinc/29/15/41/175291541.db2.gz YMYOXDMVSUYUPB-CQSZACIVSA-N 0 0 229.279 2.346 10 0 BEAERN COc1cccc([C@H](O)c2ccncc2)c1F ZINC000075870969 175296135 /nfs/dbraw/zinc/29/61/35/175296135.db2.gz DPBNTPXTLWEJQB-CYBMUJFWSA-N 0 0 233.242 2.311 10 0 BEAERN COc1cccc2c1C[C@@H](NC(=O)C1CC1)CC2 ZINC000000014122 175303517 /nfs/dbraw/zinc/30/35/17/175303517.db2.gz NSYVRPWBXONUOS-LBPRGKRZSA-N 0 0 245.322 2.079 10 0 BEAERN COc1cccc2n[nH]c([Si](C)(C)C)c21 ZINC000211466467 175307822 /nfs/dbraw/zinc/30/78/22/175307822.db2.gz LUINGAMZFYGTAP-UHFFFAOYSA-N 0 0 220.348 2.117 10 0 BEAERN COc1ccccc1-c1c(N)noc1C ZINC000082532042 175308322 /nfs/dbraw/zinc/30/83/22/175308322.db2.gz CXWGWKXDFSPXCZ-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccccc1-c1noc(NC2CC2)n1 ZINC000053750752 175311666 /nfs/dbraw/zinc/31/16/66/175311666.db2.gz ZIRHZPXKFCPPJC-UHFFFAOYSA-N 0 0 231.255 2.320 10 0 BEAERN COc1ccccc1-c1nnc(Cl)o1 ZINC000071512342 175311846 /nfs/dbraw/zinc/31/18/46/175311846.db2.gz KLTNLXVCGRNZBK-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN COc1ccccc1-n1nc(C)c(N)c1C ZINC000032013194 175312546 /nfs/dbraw/zinc/31/25/46/175312546.db2.gz UQVZOUBONLZRTF-UHFFFAOYSA-N 0 0 217.272 2.080 10 0 BEAERN COc1ccccc1-n1nc(C)c(Cl)c1N ZINC000062605680 175312800 /nfs/dbraw/zinc/31/28/00/175312800.db2.gz UCKKVNFPGJJZHF-UHFFFAOYSA-N 0 0 237.690 2.425 10 0 BEAERN COc1ccccc1/C=C/NC(=O)C(F)(F)F ZINC000038338048 175314980 /nfs/dbraw/zinc/31/49/80/175314980.db2.gz XYSDKVFOIPSJAA-VOTSOKGWSA-N 0 0 245.200 2.344 10 0 BEAERN COc1ccccc1C(=O)CN1C[C@H]2CC[C@@H]1C2 ZINC000049716386 175316404 /nfs/dbraw/zinc/31/64/04/175316404.db2.gz RAJMPUCVCZJONV-NWDGAFQWSA-N 0 0 245.322 2.362 10 0 BEAERN COc1ccccc1CNCc1ccnc(C)n1 ZINC000037997716 175329817 /nfs/dbraw/zinc/32/98/17/175329817.db2.gz DZOMSUXKPGEBBM-UHFFFAOYSA-N 0 0 243.310 2.083 10 0 BEAERN COc1ccccc1CNc1ccc(N)cn1 ZINC000019961620 175331789 /nfs/dbraw/zinc/33/17/89/175331789.db2.gz LUMLPSGIVGRSNF-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN COc1ccccc1C[C@@H]1CCC[C@@H]1O ZINC000043656330 175332617 /nfs/dbraw/zinc/33/26/17/175332617.db2.gz BEZPHADQLNSEQG-JQWIXIFHSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccccc1C[C@@H](O)[C@H]1CCCOC1 ZINC000062244333 175332857 /nfs/dbraw/zinc/33/28/57/175332857.db2.gz DPUDHCKAYJHJBO-QWHCGFSZSA-N 0 0 236.311 2.025 10 0 BEAERN COc1ccccc1C[C@H]1CCCN1C(C)=O ZINC000123626931 175333864 /nfs/dbraw/zinc/33/38/64/175333864.db2.gz QLEXWHRXZJQBIP-CYBMUJFWSA-N 0 0 233.311 2.249 10 0 BEAERN COc1ccccc1NCC(=O)OC(C)(C)C ZINC000037390641 175337500 /nfs/dbraw/zinc/33/75/00/175337500.db2.gz ZJGKEJFAQDRYHO-UHFFFAOYSA-N 0 0 237.299 2.449 10 0 BEAERN COc1ccccc1N[C@@H]1CCC[C@@H]1O ZINC000037689654 175338687 /nfs/dbraw/zinc/33/86/87/175338687.db2.gz ITFIJCOSOKPITF-KOLCDFICSA-N 0 0 207.273 2.021 10 0 BEAERN COc1ccccc1OCCCC(C)=O ZINC000037330216 175341129 /nfs/dbraw/zinc/34/11/29/175341129.db2.gz MIPQSILQCXTCLZ-UHFFFAOYSA-N 0 0 208.257 2.443 10 0 BEAERN COc1ccccc1OCc1cccnc1N ZINC000052754548 175341978 /nfs/dbraw/zinc/34/19/78/175341978.db2.gz VHRXBJFLPFPBQU-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1ccccc1[C@@H]([NH2+]C1CCCC1)C(=O)[O-] ZINC000037969100 175346941 /nfs/dbraw/zinc/34/69/41/175346941.db2.gz BTSLEWRYYKWQRG-CYBMUJFWSA-N 0 0 249.310 2.353 10 0 BEAERN COc1ccccc1[C@H](CC(=O)[O-])[NH+]1CCCC1 ZINC000057537594 175353510 /nfs/dbraw/zinc/35/35/10/175353510.db2.gz VMVLROZUVUITQV-LBPRGKRZSA-N 0 0 249.310 2.307 10 0 BEAERN COc1ccnc(NCCCCSC)n1 ZINC000124695572 175364709 /nfs/dbraw/zinc/36/47/09/175364709.db2.gz YLYLYNKXODHXBU-UHFFFAOYSA-N 0 0 227.333 2.040 10 0 BEAERN COc1ccnc2c(Br)c[nH]c21 ZINC000044713020 175369119 /nfs/dbraw/zinc/36/91/19/175369119.db2.gz VFGJKQZCIJWLQT-UHFFFAOYSA-N 0 0 227.061 2.334 10 0 BEAERN COc1ccncc1NC(=O)CCCSC ZINC000119659204 175374303 /nfs/dbraw/zinc/37/43/03/175374303.db2.gz PFWYFRZDFFBGRF-UHFFFAOYSA-N 0 0 240.328 2.172 10 0 BEAERN COc1cnc2c(c1)CC(=O)N2c1ccccc1 ZINC000089221209 175382547 /nfs/dbraw/zinc/38/25/47/175382547.db2.gz RGIURTGBSZYKFF-UHFFFAOYSA-N 0 0 240.262 2.311 10 0 BEAERN COc1nc(C)c(CNCc2ccco2)s1 ZINC000045205502 175389431 /nfs/dbraw/zinc/38/94/31/175389431.db2.gz SPWUPNDUASXJHE-UHFFFAOYSA-N 0 0 238.312 2.343 10 0 BEAERN COc1nc(Cl)nc(-c2ccccc2F)n1 ZINC000072192403 175392432 /nfs/dbraw/zinc/39/24/32/175392432.db2.gz RKZOVLLJRFYKCN-UHFFFAOYSA-N 0 0 239.637 2.340 10 0 BEAERN COc1nc(N)nc(C)c1-c1ccccc1 ZINC000196506929 175392659 /nfs/dbraw/zinc/39/26/59/175392659.db2.gz GNDDWEMZFMXFBZ-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1nc(NCCc2ccsc2)ccc1N ZINC000042598880 175395415 /nfs/dbraw/zinc/39/54/15/175395415.db2.gz RSAOZJDZYDTGRD-UHFFFAOYSA-N 0 0 249.339 2.389 10 0 BEAERN COc1nc(OC(C)C)ccc1OC1CC1 ZINC000095731244 175395654 /nfs/dbraw/zinc/39/56/54/175395654.db2.gz NWOYBRFTOVMMAP-UHFFFAOYSA-N 0 0 223.272 2.419 10 0 BEAERN COc1nccc(SC)c1OC1CC1 ZINC000095731628 175404409 /nfs/dbraw/zinc/40/44/09/175404409.db2.gz DDJXDQKWMOVBQG-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN CSCC(=O)Nc1cc(Cl)ccn1 ZINC000132883755 175461754 /nfs/dbraw/zinc/46/17/54/175461754.db2.gz PYMFIUHEORIEBL-UHFFFAOYSA-N 0 0 216.693 2.037 10 0 BEAERN CSCCC(=O)N[C@H](C)CC(C)C ZINC000121560205 175468121 /nfs/dbraw/zinc/46/81/21/175468121.db2.gz UBBHSKRMAHSWJI-SECBINFHSA-N 0 0 203.351 2.290 10 0 BEAERN CSCCCCC(=O)N[C@@H]1C[C@@H]1C ZINC000120980725 175473571 /nfs/dbraw/zinc/47/35/71/175473571.db2.gz DEDNNTHXWJMAEH-DTWKUNHWSA-N 0 0 201.335 2.044 10 0 BEAERN CSc1nnc(CNc2ccc(C)cc2)n1C ZINC000026443986 175591441 /nfs/dbraw/zinc/59/14/41/175591441.db2.gz XEOKCVRJRALFQD-UHFFFAOYSA-N 0 0 248.355 2.458 10 0 BEAERN C[C@@H](C(=O)N(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000120159224 175601084 /nfs/dbraw/zinc/60/10/84/175601084.db2.gz CYQWVPWNGAHKNB-OCCSQVGLSA-N 0 0 247.338 2.428 10 0 BEAERN C[C@@H](CC(=O)NCC1(C)COC1)c1ccccc1 ZINC000112621649 175641545 /nfs/dbraw/zinc/64/15/45/175641545.db2.gz SWICHLSKELBJLO-LBPRGKRZSA-N 0 0 247.338 2.333 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)c1ccc(N)cc1 ZINC000069661732 175655795 /nfs/dbraw/zinc/65/57/95/175655795.db2.gz KJFYKJJSYXKODV-VIFPVBQESA-N 0 0 218.300 2.187 10 0 BEAERN C[C@@H](C[C@H]1CCCO1)Nc1cncc(Cl)n1 ZINC000301146225 175766995 /nfs/dbraw/zinc/76/69/95/175766995.db2.gz AWRMHGGIAYQGHW-DTWKUNHWSA-N 0 0 241.722 2.500 10 0 BEAERN C[C@@H](O)CCNC(=O)Nc1cccc2[nH]ccc21 ZINC000114813609 175957982 /nfs/dbraw/zinc/95/79/82/175957982.db2.gz XNPCIMRFSXDVHR-SECBINFHSA-N 0 0 247.298 2.060 10 0 BEAERN C[C@@H](O)CNc1ccccc1C(F)(F)F ZINC000032013382 175984177 /nfs/dbraw/zinc/98/41/77/175984177.db2.gz KUHGYFSFEFUEFG-SSDOTTSWSA-N 0 0 219.206 2.498 10 0 BEAERN C[C@@H](O)CSc1ccc(F)c(F)c1 ZINC000037697066 175986693 /nfs/dbraw/zinc/98/66/93/175986693.db2.gz YFNYBLUJLYCARH-ZCFIWIBFSA-N 0 0 204.241 2.438 10 0 BEAERN C[C@@H](O)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000104061505 175992712 /nfs/dbraw/zinc/99/27/12/175992712.db2.gz OKOZCGHXZPMBJW-NXEZZACHSA-N 0 0 232.283 2.145 10 0 BEAERN C[C@@H](O)c1cc(Cl)ccc1OCCCO ZINC000041256768 175998861 /nfs/dbraw/zinc/99/88/61/175998861.db2.gz SZMQQGGKGXPXLG-MRVPVSSYSA-N 0 0 230.691 2.155 10 0 BEAERN C[C@@H](OC[C@@H]1CCOC1)c1ccc(N)cc1 ZINC000049688921 176003075 /nfs/dbraw/zinc/00/30/75/176003075.db2.gz ZYQPEDLYPIXLHJ-GHMZBOCLSA-N 0 0 221.300 2.383 10 0 BEAERN C[C@@H](SC[C@@H](O)CO)c1ccc(F)cc1F ZINC000177444095 176008279 /nfs/dbraw/zinc/00/82/79/176008279.db2.gz UKGTWPZOMVQTGH-APPZFPTMSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000095089101 176017388 /nfs/dbraw/zinc/01/73/88/176017388.db2.gz BHBUOQLEZBJNCL-GXSJLCMTSA-N 0 0 222.288 2.015 10 0 BEAERN C[C@@H](c1cccc(N)c1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000036738208 176018035 /nfs/dbraw/zinc/01/80/35/176018035.db2.gz CBUHKBKPCCUGSZ-GBIKHYSHSA-N 0 0 232.327 2.444 10 0 BEAERN C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006625557 176028369 /nfs/dbraw/zinc/02/83/69/176028369.db2.gz OJFWZXBZSPXWIM-CMPLNLGQSA-N 0 0 234.299 2.082 10 0 BEAERN C[C@H]1c2cc(Cl)ccc2CCNC1=O ZINC000022011742 176047702 /nfs/dbraw/zinc/04/77/02/176047702.db2.gz GWMXBSJNHZORGS-ZETCQYMHSA-N 0 0 209.676 2.116 10 0 BEAERN C[C@@H]1CC=CC[C@H]1C(=O)N1CC=CCC1 ZINC000033864745 176059293 /nfs/dbraw/zinc/05/92/93/176059293.db2.gz XOSMTRXKSZLBST-VXGBXAGGSA-N 0 0 205.301 2.377 10 0 BEAERN C[C@@H]1CCCCN1c1nnc(C(C)(C)C)n1C ZINC000336312302 176075287 /nfs/dbraw/zinc/07/52/87/176075287.db2.gz KUKGHZZJJUQGEU-SNVBAGLBSA-N 0 0 236.363 2.491 10 0 BEAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(=O)n(C)c1 ZINC000037785431 176082015 /nfs/dbraw/zinc/08/20/15/176082015.db2.gz BTBJBLXODODQHG-PWSUYJOCSA-N 0 0 220.316 2.376 10 0 BEAERN C[C@@H]1CCCC[C@H]1OCCn1cc(N)cn1 ZINC000050615112 176090496 /nfs/dbraw/zinc/09/04/96/176090496.db2.gz GDTRYUIQHXLPRV-ZYHUDNBSSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCN2 ZINC000037912048 176107632 /nfs/dbraw/zinc/10/76/32/176107632.db2.gz BVHHPORQRGFEKU-SNVBAGLBSA-N 0 0 230.311 2.279 10 0 BEAERN C[C@@H]1CCCN1c1ccc(N)c(OCC2CC2)n1 ZINC000037910031 176111400 /nfs/dbraw/zinc/11/14/00/176111400.db2.gz QNIYARMZCSVYMN-SNVBAGLBSA-N 0 0 247.342 2.441 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c[nH]1 ZINC000036861486 176115016 /nfs/dbraw/zinc/11/50/16/176115016.db2.gz CPZBMAKRBDQUJV-RKDXNWHRSA-N 0 0 221.304 2.000 10 0 BEAERN C[C@@H]1CCC[C@@H](N(C)c2ncc(N)cn2)C1 ZINC000042492296 176121144 /nfs/dbraw/zinc/12/11/44/176121144.db2.gz LLDNMLGULHTADW-MWLCHTKSSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000336678343 176125813 /nfs/dbraw/zinc/12/58/13/176125813.db2.gz AMYIGNOKBRGJKJ-WOPDTQHZSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCC[C@@H](c2nc(-c3ncon3)no2)C1 ZINC000329632659 176126123 /nfs/dbraw/zinc/12/61/23/176126123.db2.gz WVMVBWXOGBPGBB-HTQZYQBOSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@@H]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CCCN3)C1 ZINC000104381787 176126285 /nfs/dbraw/zinc/12/62/85/176126285.db2.gz YDTINCSAYLXQJS-NXEZZACHSA-N 0 0 247.342 2.422 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000328042579 176126842 /nfs/dbraw/zinc/12/68/42/176126842.db2.gz XSDHPOZSQCDPGM-NMKXLXIOSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@H](Nc2ncc(N)cn2)C1 ZINC000040455626 176146250 /nfs/dbraw/zinc/14/62/50/176146250.db2.gz BFYGCAVHOXTVAY-SCZZXKLOSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000336678339 176146697 /nfs/dbraw/zinc/14/66/97/176146697.db2.gz AMYIGNOKBRGJKJ-IJLUTSLNSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCC[C@H]1Nc1nccnc1N(C)C ZINC000302179672 176151295 /nfs/dbraw/zinc/15/12/95/176151295.db2.gz DNASUYNLRDIIRE-NXEZZACHSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@@H]1CCC[C@H]1c1nc(-c2cncn2C)no1 ZINC000333212199 176151576 /nfs/dbraw/zinc/15/15/76/176151576.db2.gz PYQJCSZEBFDIFB-RKDXNWHRSA-N 0 0 232.287 2.374 10 0 BEAERN C[C@@H]1CCC[C@](CO)(NC(=O)NC(C)(C)C)C1 ZINC000053107644 176151958 /nfs/dbraw/zinc/15/19/58/176151958.db2.gz GXJDZMPIQQJVIO-MFKMUULPSA-N 0 0 242.363 2.025 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H]1C ZINC000134465303 176160648 /nfs/dbraw/zinc/16/06/48/176160648.db2.gz ISGAHTMSIREDOI-GMTAPVOTSA-N 0 0 247.342 2.087 10 0 BEAERN C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2N)C1 ZINC000040716620 176162361 /nfs/dbraw/zinc/16/23/61/176162361.db2.gz KHJAATCURIEBHF-MRVPVSSYSA-N 0 0 238.718 2.404 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)Nc1cccnc1Cl ZINC000151530710 176192309 /nfs/dbraw/zinc/19/23/09/176192309.db2.gz CTNQELUCOHXCJH-APPZFPTMSA-N 0 0 240.690 2.099 10 0 BEAERN C[C@@H]1CC[C@@H](NC(N)=O)c2ccccc21 ZINC000132837249 176212224 /nfs/dbraw/zinc/21/22/24/176212224.db2.gz QTEFVVPEXRCZBF-LDYMZIIASA-N 0 0 204.273 2.293 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCC2(C3CC3)CCC2)O1 ZINC000119865940 176220801 /nfs/dbraw/zinc/22/08/01/176220801.db2.gz LTWMPQZHNKFKJM-ZYHUDNBSSA-N 0 0 237.343 2.250 10 0 BEAERN C[C@@H]1CN([C@H]2C[C@@H]2c2ccccc2)CCC1=O ZINC000251798258 176317753 /nfs/dbraw/zinc/31/77/53/176317753.db2.gz NUQKFGFHNWXGHD-BNOWGMLFSA-N 0 0 229.323 2.453 10 0 BEAERN C[C@@H]1CNC(=O)c2[nH]c3ccccc3c21 ZINC000028901762 176324611 /nfs/dbraw/zinc/32/46/11/176324611.db2.gz OZGIWBLZFNJEGM-SSDOTTSWSA-N 0 0 200.241 2.015 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(F)c1 ZINC000040634505 176345698 /nfs/dbraw/zinc/34/56/98/176345698.db2.gz QZSWVXQUDXUUGZ-NXEZZACHSA-N 0 0 237.274 2.075 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(F)cc1 ZINC000077365883 176346559 /nfs/dbraw/zinc/34/65/59/176346559.db2.gz TVUZHWOABBDPTF-GHMZBOCLSA-N 0 0 223.291 2.435 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1cccc(F)c1 ZINC000077370249 176346889 /nfs/dbraw/zinc/34/68/89/176346889.db2.gz RZCYPPDCEHXEMR-GHMZBOCLSA-N 0 0 223.291 2.435 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccccc1F ZINC000120788076 176347012 /nfs/dbraw/zinc/34/70/12/176347012.db2.gz CWYXYNPXYBMQKA-GHMZBOCLSA-N 0 0 223.291 2.435 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113898454 176384323 /nfs/dbraw/zinc/38/43/23/176384323.db2.gz WUSXSLUYDGKIEN-ADEWGFFLSA-N 0 0 233.315 2.119 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1cc(F)ccc1F ZINC000079961463 176399557 /nfs/dbraw/zinc/39/95/57/176399557.db2.gz GFWILVPMCAIPIR-HQJQHLMTSA-N 0 0 225.238 2.032 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000171046035 176399631 /nfs/dbraw/zinc/39/96/31/176399631.db2.gz LPYHESMYWWUAOB-XCBNKYQSSA-N 0 0 237.686 2.047 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nnc(C(C)(C)C)s1 ZINC000301853239 176474618 /nfs/dbraw/zinc/47/46/18/176474618.db2.gz AEEXSXZEESOFEV-YUMQZZPRSA-N 0 0 241.360 2.425 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)Nc1ccsc1 ZINC000296746193 176496909 /nfs/dbraw/zinc/49/69/09/176496909.db2.gz XXFFIEAIHUCQGM-SCZZXKLOSA-N 0 0 240.328 2.125 10 0 BEAERN C[C@@]([NH3+])(CC(=O)[O-])c1ccc(Cl)s1 ZINC000057939653 176510718 /nfs/dbraw/zinc/51/07/18/176510718.db2.gz BXQDJYFVIIEZFM-MRVPVSSYSA-N 0 0 219.693 2.050 10 0 BEAERN C[C@@H](NC(=O)[C@@H](C)c1ccccc1)[C@H]1CCCO1 ZINC000181950452 176577921 /nfs/dbraw/zinc/57/79/21/176577921.db2.gz UIKBYENWINJJOH-OUCADQQQSA-N 0 0 247.338 2.474 10 0 BEAERN C[C@H](CC1CCCCC1)C(=O)N1CC(CO)C1 ZINC000122400115 176615756 /nfs/dbraw/zinc/61/57/56/176615756.db2.gz WKSWTAIYEVDKKZ-LLVKDONJSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H](CO)Nc1ccccc1Br ZINC000038117784 176707320 /nfs/dbraw/zinc/70/73/20/176707320.db2.gz XSHMWORSKWSHOU-SSDOTTSWSA-N 0 0 230.105 2.242 10 0 BEAERN C[C@H](NC(=O)c1ccc(N)cc1)c1ccncc1 ZINC000035692871 176818230 /nfs/dbraw/zinc/81/82/30/176818230.db2.gz LPLGCPWTFYUBSV-JTQLQIEISA-N 0 0 241.294 2.155 10 0 BEAERN C[C@H](Nc1ncc(Cl)cn1)[C@H]1CCCO1 ZINC000093536797 176938249 /nfs/dbraw/zinc/93/82/49/176938249.db2.gz YEJDRBJUZIICDC-IONNQARKSA-N 0 0 227.695 2.109 10 0 BEAERN C[C@H](O)COc1ccc2ncsc2c1 ZINC000062199761 176992905 /nfs/dbraw/zinc/99/29/05/176992905.db2.gz DKZVZSYICWBTDA-ZETCQYMHSA-N 0 0 209.270 2.056 10 0 BEAERN C[C@H](O)CSc1ccc(N)cc1Cl ZINC000037688099 176994021 /nfs/dbraw/zinc/99/40/21/176994021.db2.gz NGPBGOCOGNGDMS-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN C[C@@H](c1nc(-c2ccccc2F)no1)[C@H](C)O ZINC000104060233 177006950 /nfs/dbraw/zinc/00/69/50/177006950.db2.gz YVKYOIXGVAGRRC-SFYZADRCSA-N 0 0 236.246 2.360 10 0 BEAERN C[C@H](O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000087139059 177012683 /nfs/dbraw/zinc/01/26/83/177012683.db2.gz ZBBYDMATSLVLAX-BQBZGAKWSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@H](O)[C@H](N)c1nc2cc(Cl)ccc2s1 ZINC000019815042 177013655 /nfs/dbraw/zinc/01/36/55/177013655.db2.gz HAGHXXUDOQFADS-CDUCUWFYSA-N 0 0 242.731 2.330 10 0 BEAERN C[C@H](O)c1ccc(OCc2cnn(C)c2)cc1 ZINC000035626243 177017087 /nfs/dbraw/zinc/01/70/87/177017087.db2.gz LCLQTLXTYGPAQO-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN C[C@H](O)c1cccc(OCCn2ccnc2)c1 ZINC000035627709 177017477 /nfs/dbraw/zinc/01/74/77/177017477.db2.gz PJGARDBHIRVVOC-NSHDSACASA-N 0 0 232.283 2.015 10 0 BEAERN C[C@H](O)c1ccc(F)cc1OC[C@@H]1CCCO1 ZINC000062749197 177017498 /nfs/dbraw/zinc/01/74/98/177017498.db2.gz GAYGCIOQNFRVJU-ONGXEEELSA-N 0 0 240.274 2.437 10 0 BEAERN C[C@H](O)c1ccc(Oc2ncccn2)cc1 ZINC000040542949 177017564 /nfs/dbraw/zinc/01/75/64/177017564.db2.gz HZVQUXPDSVPYTI-VIFPVBQESA-N 0 0 216.240 2.322 10 0 BEAERN C[C@H](O)c1ccccc1O[C@H]1CCCC[C@@H]1O ZINC000037691992 177018101 /nfs/dbraw/zinc/01/81/01/177018101.db2.gz JWNWMCQNVLYHMK-JKOKRWQUSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1ncc(-c2cccc(N)c2)s1 ZINC000117857399 177018735 /nfs/dbraw/zinc/01/87/35/177018735.db2.gz BVHHHVCKCPYOMK-ZETCQYMHSA-N 0 0 220.297 2.446 10 0 BEAERN C[C@H](OCC1CC1)C(=O)Nc1cccc(N)c1 ZINC000019870532 177021307 /nfs/dbraw/zinc/02/13/07/177021307.db2.gz HPNQNSMRRNMEKM-VIFPVBQESA-N 0 0 234.299 2.022 10 0 BEAERN C[C@H](ON)c1ccc(Br)cc1 ZINC000019728757 177021743 /nfs/dbraw/zinc/02/17/43/177021743.db2.gz PCDWXUITARQEBC-LURJTMIESA-N 0 0 216.078 2.400 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000087139062 177022417 /nfs/dbraw/zinc/02/24/17/177022417.db2.gz ZBBYDMATSLVLAX-RQJHMYQMSA-N 0 0 202.200 2.113 10 0 BEAERN C[C@H](Oc1ccc2c(c1)CCC2)C(N)=S ZINC000041238142 177023189 /nfs/dbraw/zinc/02/31/89/177023189.db2.gz YYVGNANCJWPEDM-QMMMGPOBSA-N 0 0 221.325 2.229 10 0 BEAERN C[C@H](Oc1ccccc1C(C)(C)C)C(N)=O ZINC000033433531 177024537 /nfs/dbraw/zinc/02/45/37/177024537.db2.gz MZTNNSDUYVZXOD-VIFPVBQESA-N 0 0 221.300 2.237 10 0 BEAERN C[C@H](SC[C@H](O)CO)c1ccc(F)cc1F ZINC000177444045 177027757 /nfs/dbraw/zinc/02/77/57/177027757.db2.gz UKGTWPZOMVQTGH-IONNQARKSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@H](Sc1nncn1C)c1cccc(N)c1 ZINC000040908622 177031196 /nfs/dbraw/zinc/03/11/96/177031196.db2.gz KUFWECHDRUAAKK-QMMMGPOBSA-N 0 0 234.328 2.251 10 0 BEAERN C[C@H](c1cc(F)ccc1F)n1nccc1N ZINC000019689158 177032001 /nfs/dbraw/zinc/03/20/01/177032001.db2.gz SAMAGMACXJJOSC-SSDOTTSWSA-N 0 0 223.226 2.353 10 0 BEAERN C[C@H](c1ccccc1N)N1CCCOC1=O ZINC000041054548 177043138 /nfs/dbraw/zinc/04/31/38/177043138.db2.gz WVPNOBOYUOOEMI-SECBINFHSA-N 0 0 220.272 2.172 10 0 BEAERN C[C@H](c1ccccn1)n1ncc(Cl)c1N ZINC000043665314 177043943 /nfs/dbraw/zinc/04/39/43/177043943.db2.gz IXVQMUWIGKOBKP-SSDOTTSWSA-N 0 0 222.679 2.123 10 0 BEAERN C[C@@H](O)[C@H](C)c1nc(-c2ccccc2F)no1 ZINC000104060228 177052723 /nfs/dbraw/zinc/05/27/23/177052723.db2.gz YVKYOIXGVAGRRC-JGVFFNPUSA-N 0 0 236.246 2.360 10 0 BEAERN C[C@H]1C(=O)NCc2ccc(Br)cc21 ZINC000117619807 177060195 /nfs/dbraw/zinc/06/01/95/177060195.db2.gz RFNPZXTXHHIFHO-ZCFIWIBFSA-N 0 0 240.100 2.182 10 0 BEAERN C[C@H]1CC(=O)N(CCC(=O)c2ccc(F)cc2)C1 ZINC000062816942 177061383 /nfs/dbraw/zinc/06/13/83/177061383.db2.gz FNLPFJQLFIFJIZ-JTQLQIEISA-N 0 0 249.285 2.267 10 0 BEAERN C[C@H]1CC(=O)[C@@H](Sc2ccccc2)O1 ZINC000104846477 177063066 /nfs/dbraw/zinc/06/30/66/177063066.db2.gz IANCTICFMDICKN-GZMMTYOYSA-N 0 0 208.282 2.483 10 0 BEAERN C[C@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O ZINC000000106006 177063148 /nfs/dbraw/zinc/06/31/48/177063148.db2.gz XYDOFTXQCQDRSV-LURJTMIESA-N 0 0 244.699 2.089 10 0 BEAERN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CC1=O ZINC000068592643 177063246 /nfs/dbraw/zinc/06/32/46/177063246.db2.gz GALZSXMMVXOBQW-NEPJUHHUSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CCCCN1C(=O)c1sccc1N ZINC000040292186 177074074 /nfs/dbraw/zinc/07/40/74/177074074.db2.gz LUQQLGBNFYRKRP-QMMMGPOBSA-N 0 0 224.329 2.345 10 0 BEAERN C[C@H]1CCCC[C@H]1CNC(=O)c1cc(N)cn1C ZINC000042828523 177085855 /nfs/dbraw/zinc/08/58/55/177085855.db2.gz VPSNEPPDIJGVRW-QWRGUYRKSA-N 0 0 249.358 2.163 10 0 BEAERN C[C@H]1CCCC[C@H]1N(C)c1ncc(N)cn1 ZINC000042603379 177087120 /nfs/dbraw/zinc/08/71/20/177087120.db2.gz WJBJLOWFLSLRMG-GXSJLCMTSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@H]1CCCC[C@H]1OCCC(N)=S ZINC000019518639 177089380 /nfs/dbraw/zinc/08/93/80/177089380.db2.gz ZGNFLASELDJQKW-DTWKUNHWSA-N 0 0 201.335 2.258 10 0 BEAERN C[C@H]1CCCC[C@H]1Oc1cc(C(N)=O)ccc1N ZINC000103954682 177090162 /nfs/dbraw/zinc/09/01/62/177090162.db2.gz VIRNMTOUPGFUCY-JOYOIKCWSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cc(F)ccc1N ZINC000037909666 177108365 /nfs/dbraw/zinc/10/83/65/177108365.db2.gz QKNNQUMGGPORRA-QMMMGPOBSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2)[NH2+]1 ZINC000019518964 177114291 /nfs/dbraw/zinc/11/42/91/177114291.db2.gz KCCYVMHRXKHSFG-JQWIXIFHSA-N 0 0 218.300 2.156 10 0 BEAERN C[C@H]1CCC[C@@H](CCNC(=O)N(C)C)C1 ZINC000115487857 177118671 /nfs/dbraw/zinc/11/86/71/177118671.db2.gz VJCKXLVUVIQCJK-QWRGUYRKSA-N 0 0 212.337 2.474 10 0 BEAERN C[C@H]1CCC[C@@H]1n1nnnc1-c1ccc(N)cc1 ZINC000071209150 177127502 /nfs/dbraw/zinc/12/75/02/177127502.db2.gz LYBLWHJXVZFIPU-CABZTGNLSA-N 0 0 243.314 2.283 10 0 BEAERN C[C@H]1CCC[C@@](CO)(Nc2nccs2)C1 ZINC000053111252 177127880 /nfs/dbraw/zinc/12/78/80/177127880.db2.gz INQZAEDSTSRNDI-GXSJLCMTSA-N 0 0 226.345 2.496 10 0 BEAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cncc(O)c1 ZINC000104427094 177136247 /nfs/dbraw/zinc/13/62/47/177136247.db2.gz LHIDBBLXNUFIFZ-CWSCBRNRSA-N 0 0 248.326 2.342 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOC2(CCC2)C1 ZINC000336593287 177139026 /nfs/dbraw/zinc/13/90/26/177139026.db2.gz PERNUZAVXPQKEY-NWDGAFQWSA-N 0 0 237.343 2.204 10 0 BEAERN C[C@H]1CCC[C@H]1n1nnnc1-c1ccc(N)cc1 ZINC000071209152 177143928 /nfs/dbraw/zinc/14/39/28/177143928.db2.gz LYBLWHJXVZFIPU-JOYOIKCWSA-N 0 0 243.314 2.283 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000328042592 177144374 /nfs/dbraw/zinc/14/43/74/177144374.db2.gz XSDHPOZSQCDPGM-UHXUPSOCSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@H]1CC[N@H+](CC2(C(=O)[O-])CCCCC2)C1 ZINC000051288758 177158712 /nfs/dbraw/zinc/15/87/12/177158712.db2.gz PQFVYZKRZHAYJW-NSHDSACASA-N 0 0 225.332 2.363 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCCCc2ccccc2)O1 ZINC000122200288 177181016 /nfs/dbraw/zinc/18/10/16/177181016.db2.gz GBCVSBOOVYDMDC-JSGCOSHPSA-N 0 0 247.338 2.303 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2F)O1 ZINC000122012478 177182174 /nfs/dbraw/zinc/18/21/74/177182174.db2.gz YBKBJIAFHOGTBC-CPCISQLKSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1C(=O)NCCCF ZINC000123699558 177183670 /nfs/dbraw/zinc/18/36/70/177183670.db2.gz BFWDARGRMZKFQC-VHSXEESVSA-N 0 0 216.300 2.176 10 0 BEAERN C[C@H]1CC[C@@H](NS(C)(=O)=O)c2ccccc21 ZINC000162307257 177194011 /nfs/dbraw/zinc/19/40/11/177194011.db2.gz ZZAAWGHIJSQRMN-JOYOIKCWSA-N 0 0 239.340 2.174 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2)O1 ZINC000125167359 177197367 /nfs/dbraw/zinc/19/73/67/177197367.db2.gz LCNVJIYMPNLIKG-WRWORJQWSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@H]1CC[C@H](NC(N)=O)c2ccccc21 ZINC000132837039 177204714 /nfs/dbraw/zinc/20/47/14/177204714.db2.gz QTEFVVPEXRCZBF-KWQFWETISA-N 0 0 204.273 2.293 10 0 BEAERN C[C@H]1CN(C(=O)[C@H]2CC=CCC2)CCS1 ZINC000171576314 177225050 /nfs/dbraw/zinc/22/50/50/177225050.db2.gz ATOZQERHNXCWOP-QWRGUYRKSA-N 0 0 225.357 2.307 10 0 BEAERN C[C@H]1CN(Cc2c(Cl)cnn2C)CCS1 ZINC000187170252 177261243 /nfs/dbraw/zinc/26/12/43/177261243.db2.gz PLZKJQUBKRLBHX-QMMMGPOBSA-N 0 0 245.779 2.011 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N)c(F)c1 ZINC000063011276 177263749 /nfs/dbraw/zinc/26/37/49/177263749.db2.gz BXQZJSSJNLEDJT-ZJUUUORDSA-N 0 0 238.306 2.017 10 0 BEAERN C[C@H]1CN(c2cc(N)cc(F)c2)CCCO1 ZINC000061916821 177276026 /nfs/dbraw/zinc/27/60/26/177276026.db2.gz LDCALAVUBDAXDN-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)s2)C[C@H](C)O1 ZINC000021952088 177277239 /nfs/dbraw/zinc/27/72/39/177277239.db2.gz VMPAOJHOTKVLQZ-DTORHVGOSA-N 0 0 225.313 2.174 10 0 BEAERN C[C@H]1COC[C@H](C)N1CCC(=O)c1ccccc1 ZINC000182341380 177299580 /nfs/dbraw/zinc/29/95/80/177299580.db2.gz BXJSYKGJNPNVJM-STQMWFEESA-N 0 0 247.338 2.369 10 0 BEAERN C[C@H]1C[C@@H](C(F)(F)Cl)n2nccc2N1 ZINC000002536710 177309152 /nfs/dbraw/zinc/30/91/52/177309152.db2.gz XFJYVFPOFRKCKH-WDSKDSINSA-N 0 0 221.638 2.460 10 0 BEAERN C[C@H]1C[C@@H](C(=O)Nc2nc[nH]n2)CC(C)(C)C1 ZINC000183194557 177309343 /nfs/dbraw/zinc/30/93/43/177309343.db2.gz USJOTAIJPJSHLO-DTWKUNHWSA-N 0 0 236.319 2.206 10 0 BEAERN C[C@H]1C[C@@H](O)CN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000335385151 177335773 /nfs/dbraw/zinc/33/57/73/177335773.db2.gz VAUIREQSUPKOHV-WDEREUQCSA-N 0 0 241.375 2.288 10 0 BEAERN C[C@H]1C[C@@H](OC2CCCC2)OCCO1 ZINC000039112762 177338730 /nfs/dbraw/zinc/33/87/30/177338730.db2.gz LAYWTQOFSMLYAQ-GXSJLCMTSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@H]1C[C@@H]1CNc1ncncc1Br ZINC000133018542 177345886 /nfs/dbraw/zinc/34/58/86/177345886.db2.gz DLESEBLUOCDECE-NKWVEPMBSA-N 0 0 242.120 2.307 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1ccc(F)cc1 ZINC000075526122 177346448 /nfs/dbraw/zinc/34/64/48/177346448.db2.gz ABMZWXVFTHQLRA-CABZTGNLSA-N 0 0 221.275 2.283 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1cc(F)ccc1F ZINC000079961468 177346507 /nfs/dbraw/zinc/34/65/07/177346507.db2.gz GFWILVPMCAIPIR-CPCISQLKSA-N 0 0 225.238 2.032 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000075507895 177347083 /nfs/dbraw/zinc/34/70/83/177347083.db2.gz SVNYIXZUOATXSR-KWQFWETISA-N 0 0 223.703 2.407 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1F ZINC000170793364 177347193 /nfs/dbraw/zinc/34/71/93/177347193.db2.gz VBQRGZGXGYNLKS-KWQFWETISA-N 0 0 222.263 2.033 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000122917103 177347832 /nfs/dbraw/zinc/34/78/32/177347832.db2.gz CCYVYFLVWWIFLA-XNCJUZBTSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@@H]1C)c1cccs1 ZINC000158572953 177347912 /nfs/dbraw/zinc/34/79/12/177347912.db2.gz CDAYJSADSGORKT-CIUDSAMLSA-N 0 0 209.314 2.376 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc2c1CCO2 ZINC000333117323 177348093 /nfs/dbraw/zinc/34/80/93/177348093.db2.gz GQDFCUYBNQDYGI-KWQFWETISA-N 0 0 232.283 2.151 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ncc(Br)cn1 ZINC000067120312 177350743 /nfs/dbraw/zinc/35/07/43/177350743.db2.gz IGHJRJTZQOVJFU-FSPLSTOPSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ncnc(Cl)c2N)C1 ZINC000060836955 177359151 /nfs/dbraw/zinc/35/91/51/177359151.db2.gz IRBAUTPWKYJQBF-YUMQZZPRSA-N 0 0 240.738 2.195 10 0 BEAERN C[C@H]1C[C@H]1C(=O)c1c[nH]c2ncccc12 ZINC000034976934 177377880 /nfs/dbraw/zinc/37/78/80/177377880.db2.gz VKBFNIRMKALPBB-IONNQARKSA-N 0 0 200.241 2.402 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000115360716 177382551 /nfs/dbraw/zinc/38/25/51/177382551.db2.gz FHWOKMVEWXIFSM-JOYOIKCWSA-N 0 0 233.286 2.382 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCCC1=CCCC1 ZINC000120016553 177383327 /nfs/dbraw/zinc/38/33/27/177383327.db2.gz XBQVQEQSJAPRMI-GXSJLCMTSA-N 0 0 208.305 2.194 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCCCOc1ccccc1 ZINC000075978018 177383358 /nfs/dbraw/zinc/38/33/58/177383358.db2.gz RRKCRQBTBAWCDJ-WCQYABFASA-N 0 0 248.326 2.163 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)CCc1cccs1 ZINC000176344781 177383458 /nfs/dbraw/zinc/38/34/58/177383458.db2.gz LVBXSUJNVGZQCX-GXSJLCMTSA-N 0 0 238.356 2.340 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCc1cc(F)ccc1F ZINC000104796112 177383855 /nfs/dbraw/zinc/38/38/55/177383855.db2.gz NRYIDKCUMVGKHN-WRWORJQWSA-N 0 0 240.253 2.172 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCc1ccccc1F ZINC000170793367 177383977 /nfs/dbraw/zinc/38/39/77/177383977.db2.gz VBQRGZGXGYNLKS-GZMMTYOYSA-N 0 0 222.263 2.033 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1cccnc1Cl ZINC000170793337 177384028 /nfs/dbraw/zinc/38/40/28/177384028.db2.gz YBHROWGFBNZQBP-POYBYMJQSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(N(C)C)cc1 ZINC000076032888 177384121 /nfs/dbraw/zinc/38/41/21/177384121.db2.gz BUPVJBJPENNNRD-JOYOIKCWSA-N 0 0 233.315 2.283 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccnn1C(C)(C)C ZINC000190574722 177384131 /nfs/dbraw/zinc/38/41/31/177384131.db2.gz MPQOUVZTTGZPRV-DTWKUNHWSA-N 0 0 236.319 2.168 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000082563456 177384914 /nfs/dbraw/zinc/38/49/14/177384914.db2.gz WSFMBDRDPVYGTA-QPUJVOFHSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000075506958 177384928 /nfs/dbraw/zinc/38/49/28/177384928.db2.gz QCSRBPQYPSOEFS-TVQRCGJNSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000075521626 177385050 /nfs/dbraw/zinc/38/50/50/177385050.db2.gz VTGCXHZDEFSJJA-QUBYGPBYSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1noc2c1CCCCC2 ZINC000134064312 177385842 /nfs/dbraw/zinc/38/58/42/177385842.db2.gz DYZVEIZORDAASL-WCBMZHEXSA-N 0 0 234.299 2.082 10 0 BEAERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC1 ZINC000111899099 177390767 /nfs/dbraw/zinc/39/07/67/177390767.db2.gz VOAKMRWWQIMSCB-GXFFZTMASA-N 0 0 230.311 2.335 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCc1ccsc1 ZINC000188706773 177397287 /nfs/dbraw/zinc/39/72/87/177397287.db2.gz MSAQMNDKYSGAEM-MWLCHTKSSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCc1cccs1 ZINC000190517531 177397454 /nfs/dbraw/zinc/39/74/54/177397454.db2.gz VLKFYGVFBGJHAI-MWLCHTKSSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccco1 ZINC000190607224 177397494 /nfs/dbraw/zinc/39/74/94/177397494.db2.gz CJVQMZMXDYCBJW-ZYHUDNBSSA-N 0 0 237.299 2.053 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000189398281 177397568 /nfs/dbraw/zinc/39/75/68/177397568.db2.gz HCLUPPBABJDEQB-BXKDBHETSA-N 0 0 235.283 2.146 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1O ZINC000189219917 177397677 /nfs/dbraw/zinc/39/76/77/177397677.db2.gz KDUYNUQZWRFSDC-NXEZZACHSA-N 0 0 235.283 2.146 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000190229805 177397756 /nfs/dbraw/zinc/39/77/56/177397756.db2.gz PYLQAFXFUOKJBJ-TZMCWYRMSA-N 0 0 247.338 2.160 10 0 BEAERN C[Si](C)(C)c1ccc2nc(N)sc2c1 ZINC000195218288 177500477 /nfs/dbraw/zinc/50/04/77/177500477.db2.gz WHAZXBORFKDQER-UHFFFAOYSA-N 0 0 222.389 2.424 10 0 BEAERN Cc1c(N)n(C)nc1-c1cc(F)cc(F)c1 ZINC000034976145 177551099 /nfs/dbraw/zinc/55/10/99/177551099.db2.gz KVLZIFZTRYMAAO-UHFFFAOYSA-N 0 0 223.226 2.256 10 0 BEAERN Cc1c(Cl)ncnc1N(C)Cc1cccnc1 ZINC000104214014 177604491 /nfs/dbraw/zinc/60/44/91/177604491.db2.gz MOOODVAPHVSYTQ-UHFFFAOYSA-N 0 0 248.717 2.470 10 0 BEAERN Cc1c(F)cccc1N[C@H]1CCC[C@@H]1O ZINC000043320915 177609592 /nfs/dbraw/zinc/60/95/92/177609592.db2.gz JVHOGRMMJLNZCJ-RYUDHWBXSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1c(N)cccc1C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000049715768 177611752 /nfs/dbraw/zinc/61/17/52/177611752.db2.gz FTBQQKGRNIRFAA-WDEREUQCSA-N 0 0 230.311 2.202 10 0 BEAERN Cc1c(N)cccc1N(C)C[C@@H]1CCCO1 ZINC000062724897 177613974 /nfs/dbraw/zinc/61/39/74/177613974.db2.gz ZSDZSKJZUSGDBX-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN Cc1c(N)n[nH]c1-c1cc(F)cc(F)c1 ZINC000036936127 177614966 /nfs/dbraw/zinc/61/49/66/177614966.db2.gz CTMYYJRVBSOYIX-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN Cc1nccn1CCOc1cccc(O)c1C ZINC000049330999 177622393 /nfs/dbraw/zinc/62/23/93/177622393.db2.gz NVCWRMTUMHCYTK-UHFFFAOYSA-N 0 0 232.283 2.285 10 0 BEAERN CO[C@@H](CN[C@@H](C)c1ncc(C)o1)C1CC1 ZINC000400257928 226338510 /nfs/dbraw/zinc/33/85/10/226338510.db2.gz RNTKLXCYLGZUOQ-ONGXEEELSA-N 0 0 224.304 2.059 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000306853596 487657651 /nfs/dbraw/zinc/65/76/51/487657651.db2.gz UCQJCGMRUHELRL-GARJFASQSA-N 0 0 213.321 2.074 10 0 BEAERN O=C(NCc1cccs1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250073952 487657653 /nfs/dbraw/zinc/65/76/53/487657653.db2.gz CORJJVNJSCSBSS-ILWJIGKKSA-N 0 0 221.325 2.410 10 0 BEAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000680927890 487672834 /nfs/dbraw/zinc/67/28/34/487672834.db2.gz OMBUYRDEWDCGHF-QJPTWQEYSA-N 0 0 227.348 2.088 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)C(C)(C)C ZINC000324640269 262793406 /nfs/dbraw/zinc/79/34/06/262793406.db2.gz XAQVNROIFQKUCQ-UTUOFQBUSA-N 0 0 241.375 2.192 10 0 BEAERN O=c1c2c([n-]n1-c1ccc(F)cc1)CCC2 ZINC000104707255 487712867 /nfs/dbraw/zinc/71/28/67/487712867.db2.gz IPSHRTUJXDCZNI-SNVBAGLBSA-N 0 0 218.231 2.328 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(C)c(N)c1 ZINC000226379402 487725241 /nfs/dbraw/zinc/72/52/41/487725241.db2.gz SXLICGQHQFKICK-MFKMUULPSA-N 0 0 232.327 2.496 10 0 BEAERN O=C(Nc1ccncc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250177251 487727897 /nfs/dbraw/zinc/72/78/97/487727897.db2.gz OZGUFNJJIWHHQQ-ILWJIGKKSA-N 0 0 202.257 2.066 10 0 BEAERN CCC#CC[C@@H](C)C(=O)CP(=O)(OC)OC ZINC000039438961 487728609 /nfs/dbraw/zinc/72/86/09/487728609.db2.gz QGNQUBKXAXDDAO-SNVBAGLBSA-N 0 0 246.243 2.481 10 0 BEAERN COc1cccc(N[C@@H]2CO[C@H](C3CC3)C2)n1 ZINC000668423876 487730181 /nfs/dbraw/zinc/73/01/81/487730181.db2.gz HSIFPVMICXKIEN-QWRGUYRKSA-N 0 0 234.299 2.070 10 0 BEAERN CC(C)CCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250595663 487736372 /nfs/dbraw/zinc/73/63/72/487736372.db2.gz NPWNOAPKBOKYJU-CLLJXQQHSA-N 0 0 239.359 2.211 10 0 BEAERN C[C@@]1(C(=O)[O-])CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000250786316 487740375 /nfs/dbraw/zinc/74/03/75/487740375.db2.gz GEUCHVILYKGIGH-DOMZBBRYSA-N 0 0 245.322 2.265 10 0 BEAERN O=C([O-])C[C@@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000250858828 487742024 /nfs/dbraw/zinc/74/20/24/487742024.db2.gz RHTFBPXWVLVNAL-OLZOCXBDSA-N 0 0 245.322 2.265 10 0 BEAERN C[C@H]([N@H+](C)Cc1ncccc1C(=O)[O-])C1(C)CC1 ZINC000385254702 487777196 /nfs/dbraw/zinc/77/71/96/487777196.db2.gz PMKHKBPXUWNRQX-JTQLQIEISA-N 0 0 248.326 2.400 10 0 BEAERN CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251875096 487805015 /nfs/dbraw/zinc/80/50/15/487805015.db2.gz USYXFSHKYRZQKF-WRWGMCAJSA-N 0 0 207.317 2.434 10 0 BEAERN CC(C)C(=O)CNC(=O)Nc1ccccc1 ZINC000083153260 487817058 /nfs/dbraw/zinc/81/70/58/487817058.db2.gz OREWUFKLYNDAIX-UHFFFAOYSA-N 0 0 220.272 2.033 10 0 BEAERN Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000666527904 487828119 /nfs/dbraw/zinc/82/81/19/487828119.db2.gz GZLWDZAMMLRLEU-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@H](C)C(=O)[O-] ZINC000252600056 487827812 /nfs/dbraw/zinc/82/78/12/487827812.db2.gz LGIANOFFEUUEKM-JBLDHEPKSA-N 0 0 233.311 2.025 10 0 BEAERN C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000252914687 487838588 /nfs/dbraw/zinc/83/85/88/487838588.db2.gz ROWRHYNKPZQURD-IXLVHKGHSA-N 0 0 207.317 2.195 10 0 BEAERN CSc1ccnc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000386440296 487844933 /nfs/dbraw/zinc/84/49/33/487844933.db2.gz KDDIAAAXJKVGSJ-BDAKNGLRSA-N 0 0 239.344 2.178 10 0 BEAERN CCC[C@H](C)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304146145 487873250 /nfs/dbraw/zinc/87/32/50/487873250.db2.gz AFCCTKMMJKKRKO-JTQLQIEISA-N 0 0 236.315 2.400 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000083407067 487907282 /nfs/dbraw/zinc/90/72/82/487907282.db2.gz FNULAZXOGDXQNQ-GHMZBOCLSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cc(F)ccc1O ZINC000149972389 322979096 /nfs/dbraw/zinc/97/90/96/322979096.db2.gz DWAXDARSSYWUDO-QMMMGPOBSA-N 0 0 225.263 2.306 10 0 BEAERN CCCC(C)(C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000151179867 323012491 /nfs/dbraw/zinc/01/24/91/323012491.db2.gz POVRNCYEOCJEMP-NXEZZACHSA-N 0 0 213.321 2.249 10 0 BEAERN Cc1cc(C[NH3+])cc(NC(=O)C2CC(C)C2)c1 ZINC000562646465 323026303 /nfs/dbraw/zinc/02/63/03/323026303.db2.gz SHDHXCVTEAWECX-UHFFFAOYSA-N 0 0 232.327 2.438 10 0 BEAERN CCc1ncsc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000157604778 323070025 /nfs/dbraw/zinc/07/00/25/323070025.db2.gz HCVILACRZCTOFR-IONNQARKSA-N 0 0 240.328 2.212 10 0 BEAERN Cc1csc2c1ncnc2NCC1CC(O)C1 ZINC000222309163 323086494 /nfs/dbraw/zinc/08/64/94/323086494.db2.gz PNYRIUMXIBUOHE-UHFFFAOYSA-N 0 0 249.339 2.183 10 0 BEAERN Cc1nc(CNC2(C3CCC3)CCC2)no1 ZINC000563109202 323093080 /nfs/dbraw/zinc/09/30/80/323093080.db2.gz FGPVMYNFGBNWTG-UHFFFAOYSA-N 0 0 221.304 2.190 10 0 BEAERN CC(C)CNC(=O)N[C@H]1CCOc2ccccc21 ZINC000045112851 323096116 /nfs/dbraw/zinc/09/61/16/323096116.db2.gz GNYIXGQIYWFDQW-LBPRGKRZSA-N 0 0 248.326 2.465 10 0 BEAERN Cn1cnnc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000114495528 323194482 /nfs/dbraw/zinc/19/44/82/323194482.db2.gz CSHAYFFQYWXIOU-CQSZACIVSA-N 0 0 246.358 2.137 10 0 BEAERN COc1ccc([C@]2(O)CCS[C@@H]2C)cc1 ZINC000211606609 323195150 /nfs/dbraw/zinc/19/51/50/323195150.db2.gz GKFDHHJFWKWFML-SKDRFNHKSA-N 0 0 224.325 2.408 10 0 BEAERN Cc1cncc(CNC(=O)NCC2(C)CCC2)c1 ZINC000134326537 323198166 /nfs/dbraw/zinc/19/81/66/323198166.db2.gz OCFYGCQCUPFVGZ-UHFFFAOYSA-N 0 0 247.342 2.379 10 0 BEAERN [NH3+][C@H](C[C@H](CC(=O)[O-])C(F)(F)F)C1CCC1 ZINC000521401953 323201098 /nfs/dbraw/zinc/20/10/98/323201098.db2.gz SKLJFECGQHXLOG-HTQZYQBOSA-N 0 0 239.237 2.157 10 0 BEAERN CC(C)(C)OC(=O)N[C@H]1CC(=O)C12CCC2 ZINC000390822226 323433422 /nfs/dbraw/zinc/43/34/22/323433422.db2.gz WAWMGPASQBFAMC-QMMMGPOBSA-N 0 0 225.288 2.023 10 0 BEAERN CNc1cccc(C(=O)N[C@@H](C)C2CC2)c1 ZINC000083888277 487959809 /nfs/dbraw/zinc/95/98/09/487959809.db2.gz FNHZATWQCVXPDX-VIFPVBQESA-N 0 0 218.300 2.257 10 0 BEAERN Cc1cccc(CNC(=O)c2cccnc2C)n1 ZINC000108260200 323862269 /nfs/dbraw/zinc/86/22/69/323862269.db2.gz WFQXWBKKJKXUNV-UHFFFAOYSA-N 0 0 241.294 2.023 10 0 BEAERN C[C@H]1CCC[C@]1(O)Cc1nc(C(C)(C)C)no1 ZINC000536952538 323958779 /nfs/dbraw/zinc/95/87/79/323958779.db2.gz CUKUPIZDKDPOEW-ZANVPECISA-N 0 0 238.331 2.461 10 0 BEAERN CC(C)n1nccc1[C@H]1CNC(=O)C12CCCC2 ZINC000536954793 323963322 /nfs/dbraw/zinc/96/33/22/323963322.db2.gz USFLECYAYMQOSI-LLVKDONJSA-N 0 0 247.342 2.238 10 0 BEAERN Cc1ccc2c(c1)O[C@]1(CCOC1)CC2=O ZINC000536954891 323964213 /nfs/dbraw/zinc/96/42/13/323964213.db2.gz NMEJGMYEEFPMTC-CYBMUJFWSA-N 0 0 218.252 2.119 10 0 BEAERN CCC[C@H](C)C(=O)NCc1cccc(C)n1 ZINC000123215033 324102002 /nfs/dbraw/zinc/10/20/02/324102002.db2.gz RVJXBFSMTVUALN-JTQLQIEISA-N 0 0 220.316 2.442 10 0 BEAERN COC(=O)c1c(O)cnc2ccc(Cl)cc21 ZINC000258990762 324191797 /nfs/dbraw/zinc/19/17/97/324191797.db2.gz SXDKQUZYCLYAIB-UHFFFAOYSA-N 0 0 237.642 2.380 10 0 BEAERN Cn1ccc(C(=O)CSC2CCOCC2)c1 ZINC000062055254 324572097 /nfs/dbraw/zinc/57/20/97/324572097.db2.gz ROTBBAXNQGSYIB-UHFFFAOYSA-N 0 0 239.340 2.120 10 0 BEAERN CSCCCCNC(=O)CC1CC1 ZINC000125775508 324654031 /nfs/dbraw/zinc/65/40/31/324654031.db2.gz AMXOJFGJFJMQDW-UHFFFAOYSA-N 0 0 201.335 2.046 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(OC)ncn1 ZINC000126019605 324674954 /nfs/dbraw/zinc/67/49/54/324674954.db2.gz ISWATPLEQAIHNK-DTWKUNHWSA-N 0 0 207.277 2.086 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)O1 ZINC000127402092 324765672 /nfs/dbraw/zinc/76/56/72/324765672.db2.gz LMULQBKJQAHWAG-UFBFGSQYSA-N 0 0 245.282 2.069 10 0 BEAERN CC[C@@](C)(CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000128214469 324812735 /nfs/dbraw/zinc/81/27/35/324812735.db2.gz UMMOTMCILCPDIO-IPYPFGDCSA-N 0 0 247.338 2.067 10 0 BEAERN CC[C@H](NC(=O)N(C)C1CCC1)[C@@H]1CCCO1 ZINC000128366887 324830929 /nfs/dbraw/zinc/83/09/29/324830929.db2.gz GRKSMCXGIJHOGW-RYUDHWBXSA-N 0 0 240.347 2.138 10 0 BEAERN COc1cccc(CNC(=O)c2cccs2)n1 ZINC000128474372 324842993 /nfs/dbraw/zinc/84/29/93/324842993.db2.gz BOLPARYPDMAPKI-UHFFFAOYSA-N 0 0 248.307 2.082 10 0 BEAERN CCCC[C@@H](COC)NC(=O)CCSC ZINC000128829515 324889467 /nfs/dbraw/zinc/88/94/67/324889467.db2.gz DOWRUPIFJYYMEG-JTQLQIEISA-N 0 0 233.377 2.061 10 0 BEAERN CC(C)N(C(=O)[C@@H](C)C1CCOCC1)C1CC1 ZINC000130113444 325014821 /nfs/dbraw/zinc/01/48/21/325014821.db2.gz CJFFZYDHPWJALV-NSHDSACASA-N 0 0 239.359 2.449 10 0 BEAERN CC[C@@H](SC)C(=O)NCCCCSC ZINC000130801203 325090283 /nfs/dbraw/zinc/09/02/83/325090283.db2.gz WKPJRUWXBVBZOD-SECBINFHSA-N 0 0 235.418 2.387 10 0 BEAERN Cc1ccncc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000131192425 325124725 /nfs/dbraw/zinc/12/47/25/325124725.db2.gz ZGTOUUHDYVXBPW-NSHDSACASA-N 0 0 248.326 2.391 10 0 BEAERN C[C@@H](CO)[C@@H](C)NC(=O)CC1CCCCCC1 ZINC000131370882 325143871 /nfs/dbraw/zinc/14/38/71/325143871.db2.gz QQDBUHNEDHBZPS-NWDGAFQWSA-N 0 0 241.375 2.480 10 0 BEAERN CCOCCC(=O)N[C@@H](CC)c1nccs1 ZINC000131373045 325143891 /nfs/dbraw/zinc/14/38/91/325143891.db2.gz NYZHLYLRLUFULT-VIFPVBQESA-N 0 0 242.344 2.137 10 0 BEAERN CC(C)[C@@H](SC1CCOCC1)C(=O)N(C)C ZINC000131565686 325164875 /nfs/dbraw/zinc/16/48/75/325164875.db2.gz HYIKQYKMOMDTRF-LLVKDONJSA-N 0 0 245.388 2.011 10 0 BEAERN COC[C@H](C)CNc1ccc(N2CCCC2)nc1 ZINC000131760951 325182126 /nfs/dbraw/zinc/18/21/26/325182126.db2.gz WXWQKJAWTNPBAK-GFCCVEGCSA-N 0 0 249.358 2.376 10 0 BEAERN CCc1noc(C)c1NC(=O)c1cccn1C ZINC000132728655 325241753 /nfs/dbraw/zinc/24/17/53/325241753.db2.gz YQQGWZFESUOZOL-UHFFFAOYSA-N 0 0 233.271 2.136 10 0 BEAERN CCc1noc(C)c1NC(=O)c1cccnc1 ZINC000133278938 325281861 /nfs/dbraw/zinc/28/18/61/325281861.db2.gz YYOWVFQIJNFZLG-UHFFFAOYSA-N 0 0 231.255 2.193 10 0 BEAERN Cc1cc(CNCC(F)(F)F)ccn1 ZINC000235757797 325286504 /nfs/dbraw/zinc/28/65/04/325286504.db2.gz FHZUTQNOVIGKQX-UHFFFAOYSA-N 0 0 204.195 2.042 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H](C)OC ZINC000133355451 325289387 /nfs/dbraw/zinc/28/93/87/325289387.db2.gz DPBRKSIIKUCKFY-QWRGUYRKSA-N 0 0 227.348 2.449 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(OC)cc1O ZINC000075559430 325300885 /nfs/dbraw/zinc/30/08/85/325300885.db2.gz OTFXQRSGNGHMLW-JOYOIKCWSA-N 0 0 249.310 2.319 10 0 BEAERN COCc1ccc(C(=O)Nc2cccc(O)c2)o1 ZINC000133651040 325306820 /nfs/dbraw/zinc/30/68/20/325306820.db2.gz UPTMWLJLIWLAJF-UHFFFAOYSA-N 0 0 247.250 2.384 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000076000941 325325324 /nfs/dbraw/zinc/32/53/24/325325324.db2.gz IXAKWUQYJAOJCS-SKDRFNHKSA-N 0 0 241.294 2.215 10 0 BEAERN CCC(C)(C)[C@@H]1CCCN1C(=O)COC ZINC000133977792 325335403 /nfs/dbraw/zinc/33/54/03/325335403.db2.gz IXDTYVFBDJOWNS-JTQLQIEISA-N 0 0 213.321 2.060 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)CC(C)(C)C ZINC000076366284 325342308 /nfs/dbraw/zinc/34/23/08/325342308.db2.gz FXZUMOLCXYYLSE-AOOOYVTPSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1ncn(Cc2cn3ccsc3n2)c1C ZINC000134444036 325358778 /nfs/dbraw/zinc/35/87/78/325358778.db2.gz JWJWPBNMZTYRAX-UHFFFAOYSA-N 0 0 232.312 2.257 10 0 BEAERN Cc1ccoc1CNCc1nnc(C)s1 ZINC000134663280 325370626 /nfs/dbraw/zinc/37/06/26/325370626.db2.gz HNJKEFZEXHJTRP-UHFFFAOYSA-N 0 0 223.301 2.038 10 0 BEAERN CCOCC(=O)N1CCCCC[C@@H]1CC ZINC000134720392 325373251 /nfs/dbraw/zinc/37/32/51/325373251.db2.gz GMIYMZYGVBUASY-NSHDSACASA-N 0 0 213.321 2.204 10 0 BEAERN CSCCCC(=O)Nc1ccnc(C)c1 ZINC000134918123 325382906 /nfs/dbraw/zinc/38/29/06/325382906.db2.gz QXLSTOGVDHPSPJ-UHFFFAOYSA-N 0 0 224.329 2.472 10 0 BEAERN CCc1cc(C)c(C(=O)NC2CCOCC2)o1 ZINC000135070368 325391691 /nfs/dbraw/zinc/39/16/91/325391691.db2.gz HAUCXIHUWJBNJN-UHFFFAOYSA-N 0 0 237.299 2.059 10 0 BEAERN CCc1cc(C)c(C(=O)N(C)CCCOC)o1 ZINC000135370538 325409794 /nfs/dbraw/zinc/40/97/94/325409794.db2.gz LYVTZMLOJYQJNU-UHFFFAOYSA-N 0 0 239.315 2.259 10 0 BEAERN C[C@@H](O)C[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000548071144 325426298 /nfs/dbraw/zinc/42/62/98/325426298.db2.gz RMWLQUDTTFGAOK-KPFVRQRISA-N 0 0 239.359 2.185 10 0 BEAERN CCc1cnccc1C(=O)NCc1ccco1 ZINC000136018400 325437632 /nfs/dbraw/zinc/43/76/32/325437632.db2.gz FUYPPDPUZIMGJO-UHFFFAOYSA-N 0 0 230.267 2.167 10 0 BEAERN C[C@@H](O)CCNC(=O)[C@@H](C)CC1CCCC1 ZINC000136053692 325439555 /nfs/dbraw/zinc/43/95/55/325439555.db2.gz BTSALZGADOZJNE-WDEREUQCSA-N 0 0 227.348 2.090 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246102051 325542956 /nfs/dbraw/zinc/54/29/56/325542956.db2.gz WLZYLBJQBROVQX-AXFHLTTASA-N 0 0 213.321 2.058 10 0 BEAERN C[C@H]1C[C@@H]1c1cc(NC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC000247974824 325598851 /nfs/dbraw/zinc/59/88/51/325598851.db2.gz KLMIQMQPDMLBBK-QCBRBAQYSA-N 0 0 249.314 2.039 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)O1 ZINC000248631823 325615454 /nfs/dbraw/zinc/61/54/54/325615454.db2.gz WRKIVMYXBSORSV-NZEXEKPDSA-N 0 0 239.359 2.495 10 0 BEAERN Nc1ccc2nc(NCC3CC(O)C3)sc2c1 ZINC000091424919 325686560 /nfs/dbraw/zinc/68/65/60/325686560.db2.gz XYIMIFSPYWKLAJ-UHFFFAOYSA-N 0 0 249.339 2.061 10 0 BEAERN CN(CC1CCCCC1)C(=O)c1ncccc1N ZINC000132522867 487971294 /nfs/dbraw/zinc/97/12/94/487971294.db2.gz FICVOVWOTZBRCC-UHFFFAOYSA-N 0 0 247.342 2.316 10 0 BEAERN COc1ccc([C@@H](C)C(=O)NCCCF)cc1 ZINC000154050619 326126693 /nfs/dbraw/zinc/12/66/93/326126693.db2.gz PISVBOAUIISEQT-SNVBAGLBSA-N 0 0 239.290 2.275 10 0 BEAERN CCC(C)(C)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000163626747 326404264 /nfs/dbraw/zinc/40/42/64/326404264.db2.gz IMEXWBMUCVLRSH-NXEZZACHSA-N 0 0 228.336 2.042 10 0 BEAERN CCOCC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000070251064 488001957 /nfs/dbraw/zinc/00/19/57/488001957.db2.gz LNCOJBAHVIAUAU-MRVPVSSYSA-N 0 0 243.253 2.179 10 0 BEAERN COC(=O)c1c(C(F)(F)F)n[nH]c1C(C)C ZINC000409441898 488047128 /nfs/dbraw/zinc/04/71/28/488047128.db2.gz UNTRWVASBCNJKQ-UHFFFAOYSA-N 0 0 236.193 2.339 10 0 BEAERN C[C@@H]1Cc2c(-c3ccccc3)ncnc2N(C)N1 ZINC000147691528 488050146 /nfs/dbraw/zinc/05/01/46/488050146.db2.gz YPDMSKWLGJPZJK-SNVBAGLBSA-N 0 0 240.310 2.029 10 0 BEAERN O=C(CCCCO)N[C@H]1CCCc2ccccc21 ZINC000092171009 488083717 /nfs/dbraw/zinc/08/37/17/488083717.db2.gz XODLMOZVVGUXLP-AWEZNQCLSA-N 0 0 247.338 2.343 10 0 BEAERN CCOc1ccc(-c2nncn2C)cc1OCC ZINC000136191682 488084904 /nfs/dbraw/zinc/08/49/04/488084904.db2.gz DVBUQXBBDRBMQX-UHFFFAOYSA-N 0 0 247.298 2.280 10 0 BEAERN CC[N@@H+]1CC[C@H](Nc2cc(C(C)(C)C)ncn2)C1 ZINC000389331674 488089425 /nfs/dbraw/zinc/08/94/25/488089425.db2.gz HUNIJMAAGCKHER-NSHDSACASA-N 0 0 248.374 2.280 10 0 BEAERN CCn1nc(C)cc1-c1ccccc1N ZINC000257897326 488091152 /nfs/dbraw/zinc/09/11/52/488091152.db2.gz VJRNAFCDJWVRGW-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCc1nc(C)cc(N[C@H]2CCC[C@@H](O)C2)n1 ZINC000672167029 488099047 /nfs/dbraw/zinc/09/90/47/488099047.db2.gz CVKJPSKVELTSRC-WDEREUQCSA-N 0 0 235.331 2.063 10 0 BEAERN CCOc1nccnc1N[C@@H](C)c1ncc(C)o1 ZINC000683193413 488127259 /nfs/dbraw/zinc/12/72/59/488127259.db2.gz AHZSOPXHHNXBGV-VIFPVBQESA-N 0 0 248.286 2.345 10 0 BEAERN Cc1c(-c2ccc(N)cc2C)cnn1C ZINC000085112224 488130054 /nfs/dbraw/zinc/13/00/54/488130054.db2.gz ASFFQPANIKNIIJ-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN Cc1occc1CN(C)Cc1cncnc1 ZINC000119122849 487530368 /nfs/dbraw/zinc/53/03/68/487530368.db2.gz SLEIPEFVNSRAQH-UHFFFAOYSA-N 0 0 217.272 2.010 10 0 BEAERN CC(C)(C)CCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000673909653 487476531 /nfs/dbraw/zinc/47/65/31/487476531.db2.gz VCXHTTMCDXGTCR-MNOVXSKESA-N 0 0 227.348 2.232 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000231740378 487472418 /nfs/dbraw/zinc/47/24/18/487472418.db2.gz CFEFUFSYDDKCEY-ZMLRMANQSA-N 0 0 237.347 2.116 10 0 BEAERN O=C(CC1=CCCCC1)N[C@@H]1CCC[C@H](O)C1 ZINC000673904770 487474393 /nfs/dbraw/zinc/47/43/93/487474393.db2.gz LMKHISOSRGOTRU-OLZOCXBDSA-N 0 0 237.343 2.297 10 0 BEAERN CC(C)(C)OC(=O)C1(N)CC(OC(C)(C)C)C1 ZINC000521400586 487611160 /nfs/dbraw/zinc/61/11/60/487611160.db2.gz MMZNFXJMZCYPEW-UHFFFAOYSA-N 0 0 243.347 2.003 10 0 BEAERN CCOC(=O)c1nccc2cc(OC)ccc21 ZINC000147102528 487948479 /nfs/dbraw/zinc/94/84/79/487948479.db2.gz SUNUOOVAHUKYDI-UHFFFAOYSA-N 0 0 231.251 2.420 10 0 BEAERN c1ccc(CNSc2ncccn2)cc1 ZINC000584645642 488022953 /nfs/dbraw/zinc/02/29/53/488022953.db2.gz AMIYRUQVABNXCV-UHFFFAOYSA-N 0 0 217.297 2.274 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1noc2c1CCCCC2 ZINC000134063834 488165479 /nfs/dbraw/zinc/16/54/79/488165479.db2.gz DYZVEIZORDAASL-SCZZXKLOSA-N 0 0 234.299 2.082 10 0 BEAERN Cc1ccc(SSC[C@H]([NH3+])C(=O)[O-])cc1 ZINC000380141230 488175729 /nfs/dbraw/zinc/17/57/29/488175729.db2.gz VPRHKFQKAWBCEZ-VIFPVBQESA-N 0 0 243.353 2.147 10 0 BEAERN OCc1cccc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000668033251 488191935 /nfs/dbraw/zinc/19/19/35/488191935.db2.gz WUSRAMCTRQXKCP-ZIAGYGMSSA-N 0 0 233.311 2.158 10 0 BEAERN Cc1ccc2c(c1)[C@@H](O)c1cccnc1CO2 ZINC000167433245 488194486 /nfs/dbraw/zinc/19/44/86/488194486.db2.gz WZTRQSMHRONCDP-AWEZNQCLSA-N 0 0 227.263 2.364 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000078427869 488207921 /nfs/dbraw/zinc/20/79/21/488207921.db2.gz RZJNVSQHWRZKQN-AXFHLTTASA-N 0 0 228.336 2.042 10 0 BEAERN CC[C@]1(C)CC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000399281570 488228633 /nfs/dbraw/zinc/22/86/33/488228633.db2.gz BJUQHVPHPJSPHD-CQSZACIVSA-N 0 0 248.326 2.402 10 0 BEAERN CC(F)(F)CCC(=O)N1CCC[C@H]1CCCO ZINC000679110536 488308832 /nfs/dbraw/zinc/30/88/32/488308832.db2.gz LUMONRTYYSBAIN-JTQLQIEISA-N 0 0 249.301 2.185 10 0 BEAERN CCc1cc(N[C@@H]2CCC[C@H](O)C2)nc(C)n1 ZINC000679836929 488367610 /nfs/dbraw/zinc/36/76/10/488367610.db2.gz BHNNVCBUYSYAGT-NEPJUHHUSA-N 0 0 235.331 2.063 10 0 BEAERN C[C@@H](CO)CN1c2ccccc2CC[C@H]1C ZINC000120565087 490064378 /nfs/dbraw/zinc/06/43/78/490064378.db2.gz JYRMQAJKYVNWIJ-VXGBXAGGSA-N 0 0 219.328 2.456 10 0 BEAERN O=C([O-])C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000227467711 490184771 /nfs/dbraw/zinc/18/47/71/490184771.db2.gz RHTFBPXWVLVNAL-STQMWFEESA-N 0 0 245.322 2.265 10 0 BEAERN COc1ccccc1O[C@]1(C)NCCS1 ZINC000198858528 490244953 /nfs/dbraw/zinc/24/49/53/490244953.db2.gz SZIWPSBEKTUDIZ-NSHDSACASA-N 0 0 225.313 2.084 10 0 BEAERN CC(C)Cn1nc(-c2cccs2)cc1C(N)=O ZINC000409443965 490247286 /nfs/dbraw/zinc/24/72/86/490247286.db2.gz XNNMBOLLDRGJBD-UHFFFAOYSA-N 0 0 249.339 2.367 10 0 BEAERN Cc1nc(-c2ccnc(C)c2)sc1N ZINC000074189491 490299458 /nfs/dbraw/zinc/29/94/58/490299458.db2.gz CJGAYIIANMFYQK-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC000300239710 490552344 /nfs/dbraw/zinc/55/23/44/490552344.db2.gz DIARNYKZBISODI-UPJWGTAASA-N 0 0 239.359 2.044 10 0 BEAERN c1c[nH]c(CNCc2ccn(C3CCCC3)n2)n1 ZINC000128999706 490596047 /nfs/dbraw/zinc/59/60/47/490596047.db2.gz HQDUVWLMWXPMOD-UHFFFAOYSA-N 0 0 245.330 2.011 10 0 BEAERN COC[C@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000103380392 490673757 /nfs/dbraw/zinc/67/37/57/490673757.db2.gz DBKJSYVRDZMFOG-QWRGUYRKSA-N 0 0 233.311 2.419 10 0 BEAERN Cc1cc(CNc2ccc(C)cn2)on1 ZINC000044995816 491074819 /nfs/dbraw/zinc/07/48/19/491074819.db2.gz BMAMSKUNUVENKK-UHFFFAOYSA-N 0 0 203.245 2.299 10 0 BEAERN CCc1c(C(=O)N[C@H]2C[C@H]2C)cnn1CC(C)C ZINC000129612328 491114297 /nfs/dbraw/zinc/11/42/97/491114297.db2.gz MKXLLPXSAGOTDM-PWSUYJOCSA-N 0 0 249.358 2.240 10 0 BEAERN C[C@@H]([NH2+]C1CSC1)c1cccc(O)c1 ZINC000215965751 491124851 /nfs/dbraw/zinc/12/48/51/491124851.db2.gz XIWGKPDRIBXKHE-MRVPVSSYSA-N 0 0 209.314 2.158 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC000230175294 491127926 /nfs/dbraw/zinc/12/79/26/491127926.db2.gz DIARNYKZBISODI-FRRDWIJNSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H](NC(=O)N(C)C1CCC1)C1CCC1 ZINC000127848848 491132805 /nfs/dbraw/zinc/13/28/05/491132805.db2.gz QGPLCHJIMRAKSX-VIFPVBQESA-N 0 0 210.321 2.369 10 0 BEAERN Cc1nc([C@H](C)NCc2csnn2)cs1 ZINC000133116997 491146919 /nfs/dbraw/zinc/14/69/19/491146919.db2.gz NAZAKODVFGRDFI-LURJTMIESA-N 0 0 240.357 2.154 10 0 BEAERN CC(C)c1nsc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000309341011 491148056 /nfs/dbraw/zinc/14/80/56/491148056.db2.gz KIAZLNVSTQGAKR-IUCAKERBSA-N 0 0 241.360 2.377 10 0 BEAERN COc1ccc(C)nc1N[C@H](C)[C@@H](C)OC ZINC000134307554 491162985 /nfs/dbraw/zinc/16/29/85/491162985.db2.gz UJHDYICSDWMWMT-NXEZZACHSA-N 0 0 224.304 2.234 10 0 BEAERN Nc1cnn(Cc2ccc(Cl)s2)c1 ZINC000019810671 582458719 /nfs/dbraw/zinc/45/87/19/582458719.db2.gz BNFDRPOJMUJYKL-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CC(C)CC(=O)c1ncc(C2OCCO2)s1 ZINC000757123917 582498709 /nfs/dbraw/zinc/49/87/09/582498709.db2.gz LHZLJQHWQNTGGC-UHFFFAOYSA-N 0 0 241.312 2.417 10 0 BEAERN COC[C@H](C)Nc1ccc2c(c1)CCN2C ZINC000757126805 582501691 /nfs/dbraw/zinc/50/16/91/582501691.db2.gz HDYFEEMAIBZOKI-JTQLQIEISA-N 0 0 220.316 2.126 10 0 BEAERN CCc1nc([C@H](O)C2CCC2)sc1N ZINC000757127294 582502112 /nfs/dbraw/zinc/50/21/12/582502112.db2.gz IHESXDCRPHNLRS-MRVPVSSYSA-N 0 0 212.318 2.121 10 0 BEAERN CCc1nc([C@@H](O)C2CCC2)sc1N ZINC000757127304 582502430 /nfs/dbraw/zinc/50/24/30/582502430.db2.gz IHESXDCRPHNLRS-QMMMGPOBSA-N 0 0 212.318 2.121 10 0 BEAERN Cc1cc(CO[C@@H]2CNOC2)ccc1Cl ZINC000757145496 582527943 /nfs/dbraw/zinc/52/79/43/582527943.db2.gz MFBAVWUVHUATKA-SNVBAGLBSA-N 0 0 227.691 2.068 10 0 BEAERN C[C@H]1CCC[C@]2(C1)NCC(F)(F)CO2 ZINC000757150319 582535083 /nfs/dbraw/zinc/53/50/83/582535083.db2.gz PKYKJBHZHGJQHR-WPRPVWTQSA-N 0 0 205.248 2.148 10 0 BEAERN COC(=O)[C@@H](C)SCc1occc1C ZINC000757167589 582548775 /nfs/dbraw/zinc/54/87/75/582548775.db2.gz XLNSVPCLMPLKOG-MRVPVSSYSA-N 0 0 214.286 2.383 10 0 BEAERN CC[C@@]1(C)C(=O)C[C@H]1NC(=O)OC(C)(C)C ZINC000757169018 582549297 /nfs/dbraw/zinc/54/92/97/582549297.db2.gz UMCAFEVJONKHQX-PRHODGIISA-N 0 0 227.304 2.269 10 0 BEAERN CC[C@@]1(C)C(=O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757169020 582549612 /nfs/dbraw/zinc/54/96/12/582549612.db2.gz UMCAFEVJONKHQX-QPUJVOFHSA-N 0 0 227.304 2.269 10 0 BEAERN Cc1cc(Cl)ccc1[C@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757193404 582557242 /nfs/dbraw/zinc/55/72/42/582557242.db2.gz PATVXSJWGFSOOO-GHMZBOCLSA-N 0 0 239.702 2.036 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2C[C@H](C)C[C@H](O)C2)C1 ZINC000401490773 533817215 /nfs/dbraw/zinc/81/72/15/533817215.db2.gz YAQKPFRVEXZGOV-NDBYEHHHSA-N 0 0 239.359 2.042 10 0 BEAERN CCO[C@H]1CCCN(c2cccc(F)c2N)C1 ZINC000042421405 535621480 /nfs/dbraw/zinc/62/14/80/535621480.db2.gz ULOUBWYTKKYMRN-JTQLQIEISA-N 0 0 238.306 2.413 10 0 BEAERN CCC1(Cn2cc(N)ccc2=O)CCC1 ZINC000379895992 582684970 /nfs/dbraw/zinc/68/49/70/582684970.db2.gz BXUGXMJCJXFIEK-UHFFFAOYSA-N 0 0 206.289 2.011 10 0 BEAERN CC[C@@H]1COCCN1c1ccc(CO)c(C)c1 ZINC000050582859 535837180 /nfs/dbraw/zinc/83/71/80/535837180.db2.gz SEHXPNXOKDPBKS-CYBMUJFWSA-N 0 0 235.327 2.103 10 0 BEAERN CC[C@@H]1COCCN1c1cccc(F)c1N ZINC000037419859 535837480 /nfs/dbraw/zinc/83/74/80/535837480.db2.gz HYEPVOGOVSDQHQ-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN CCOc1nc(Cl)nc(NC(C)(C)C)n1 ZINC000061515858 517740551 /nfs/dbraw/zinc/74/05/51/517740551.db2.gz HCKVMEXATIKVFS-UHFFFAOYSA-N 0 0 230.699 2.134 10 0 BEAERN CC(=O)NCCCN1CC2(CC2)c2ccccc21 ZINC000178975217 534384755 /nfs/dbraw/zinc/38/47/55/534384755.db2.gz GCCRZZMBDZYFHV-UHFFFAOYSA-N 0 0 244.338 2.064 10 0 BEAERN CC(C)O[C@H](C)Cn1cc(Br)cn1 ZINC000072219938 519777265 /nfs/dbraw/zinc/77/72/65/519777265.db2.gz SBFQQSLTCQMDHB-MRVPVSSYSA-N 0 0 247.136 2.459 10 0 BEAERN CN(C)[C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000095532631 522009603 /nfs/dbraw/zinc/00/96/03/522009603.db2.gz ZKSNDJCJKXIBGR-SECBINFHSA-N 0 0 247.125 2.081 10 0 BEAERN COCCNc1nc(-c2ccccc2C)no1 ZINC000053751154 523966059 /nfs/dbraw/zinc/96/60/59/523966059.db2.gz JFZJQNZDBPDUNR-UHFFFAOYSA-N 0 0 233.271 2.103 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@H]2COC[C@H]21 ZINC000367045114 534833200 /nfs/dbraw/zinc/83/32/00/534833200.db2.gz ZEZVDVZZYJPWTH-VHSXEESVSA-N 0 0 227.304 2.032 10 0 BEAERN CC(C)(C)OC(=O)N1CCNc2ncccc21 ZINC000299890433 534840219 /nfs/dbraw/zinc/84/02/19/534840219.db2.gz ZPDFFKCVZJJBLT-UHFFFAOYSA-N 0 0 235.287 2.249 10 0 BEAERN CC(=O)c1ccccc1N1CCO[C@@H](C)C1 ZINC000019871022 534917100 /nfs/dbraw/zinc/91/71/00/534917100.db2.gz PSDRONUWBDOWOD-JTQLQIEISA-N 0 0 219.284 2.114 10 0 BEAERN C1CO[C@@H](c2nnnn2C2CCCCC2)C1 ZINC000504123403 526424429 /nfs/dbraw/zinc/42/44/29/526424429.db2.gz XJUAMBSDQJBPIG-SNVBAGLBSA-N 0 0 222.292 2.030 10 0 BEAERN OCc1cc(-c2ccccc2Cl)n[nH]1 ZINC000084122101 527630216 /nfs/dbraw/zinc/63/02/16/527630216.db2.gz JYIFOUMDTSEQLD-UHFFFAOYSA-N 0 0 208.648 2.222 10 0 BEAERN CC(C)OC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000496375179 527827960 /nfs/dbraw/zinc/82/79/60/527827960.db2.gz FZRQSWCNPLMDIR-ILWJIGKKSA-N 0 0 215.293 2.077 10 0 BEAERN CCCN(Cc1nnc(C)n1CC)CC(F)F ZINC000195124234 528156968 /nfs/dbraw/zinc/15/69/68/528156968.db2.gz FXMWVEKNPIVYJO-UHFFFAOYSA-N 0 0 246.305 2.084 10 0 BEAERN CC(C)c1cccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1 ZINC000504685872 528187366 /nfs/dbraw/zinc/18/73/66/528187366.db2.gz HIYHWTVUFJPFFN-OLZOCXBDSA-N 0 0 233.311 2.198 10 0 BEAERN CCC(C)(C)CC(=O)NC[C@H](O)C(C)(C)C ZINC000488138923 528497295 /nfs/dbraw/zinc/49/72/95/528497295.db2.gz YBBMHSHVFXLQAG-JTQLQIEISA-N 0 0 229.364 2.336 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000178437239 534967149 /nfs/dbraw/zinc/96/71/49/534967149.db2.gz ZERSDZMHJRKLJE-VWYCJHECSA-N 0 0 212.337 2.471 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](C)[C@@H]1C ZINC000178437251 534969208 /nfs/dbraw/zinc/96/92/08/534969208.db2.gz ZERSDZMHJRKLJE-DCAQKATOSA-N 0 0 212.337 2.471 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000183978381 535165767 /nfs/dbraw/zinc/16/57/67/535165767.db2.gz GDVZPMQJZOWUMF-SECBINFHSA-N 0 0 248.326 2.027 10 0 BEAERN CCC1CCC(NC(=O)CCC(=O)OC)CC1 ZINC000078233971 535319076 /nfs/dbraw/zinc/31/90/76/535319076.db2.gz BEUOXEBXYQVFOT-UHFFFAOYSA-N 0 0 241.331 2.025 10 0 BEAERN CCC1CCC(NC(=O)COCC2CC2)CC1 ZINC000076357698 535319818 /nfs/dbraw/zinc/31/98/18/535319818.db2.gz GUJJNGVVXLBEKF-UHFFFAOYSA-N 0 0 239.359 2.498 10 0 BEAERN CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000080512968 535344155 /nfs/dbraw/zinc/34/41/55/535344155.db2.gz UCWRNQZVHLPVAW-CHWSQXEVSA-N 0 0 247.342 2.449 10 0 BEAERN CCN(CC)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000226555945 535455977 /nfs/dbraw/zinc/45/59/77/535455977.db2.gz WGHAKFHVDYCOPO-VIFPVBQESA-N 0 0 225.292 2.095 10 0 BEAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]2C)CCO1 ZINC000183743857 535471418 /nfs/dbraw/zinc/47/14/18/535471418.db2.gz BICCCAUKZFOVAP-IRCOFANPSA-N 0 0 225.332 2.106 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178339581 535596508 /nfs/dbraw/zinc/59/65/08/535596508.db2.gz ZSBMTPZIAFECDB-GDLCADMTSA-N 0 0 247.338 2.197 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000252853188 535596600 /nfs/dbraw/zinc/59/66/00/535596600.db2.gz GMDXMKITYKIQLY-QJPTWQEYSA-N 0 0 227.348 2.232 10 0 BEAERN CCO[C@H]1CCCN(c2ccccc2N)C1 ZINC000044412691 535621735 /nfs/dbraw/zinc/62/17/35/535621735.db2.gz MTXDOHRUCALCCP-NSHDSACASA-N 0 0 220.316 2.274 10 0 BEAERN CCC[C@H]([NH2+]CCc1cccc(C)c1)C(=O)[O-] ZINC000216519477 535705129 /nfs/dbraw/zinc/70/51/29/535705129.db2.gz UNABYFBSGQAQEX-ZDUSSCGKSA-N 0 0 235.327 2.380 10 0 BEAERN CCOC(=O)N1CCCc2cc(N)ccc21 ZINC000019874867 535775371 /nfs/dbraw/zinc/77/53/71/535775371.db2.gz IOTRXYVCLNHIGI-UHFFFAOYSA-N 0 0 220.272 2.178 10 0 BEAERN CCOC(=O)N1CCSc2ccc(N)cc21 ZINC000038051344 535779713 /nfs/dbraw/zinc/77/97/13/535779713.db2.gz LRLCOZWRXZHZRH-UHFFFAOYSA-N 0 0 238.312 2.337 10 0 BEAERN CC[C@@H]1COCCN1c1ccc(N)c(C)c1 ZINC000036322890 535837757 /nfs/dbraw/zinc/83/77/57/535837757.db2.gz ZIKISMYYDIDFAD-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000249654818 535961059 /nfs/dbraw/zinc/96/10/59/535961059.db2.gz VAENFSVSDUSESJ-YVECIDJPSA-N 0 0 239.359 2.449 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000249301062 536142776 /nfs/dbraw/zinc/14/27/76/536142776.db2.gz DETLOAWWCGFOBJ-DCAQKATOSA-N 0 0 213.321 2.058 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1ccc(N)cc1F ZINC000036131926 536171600 /nfs/dbraw/zinc/17/16/00/536171600.db2.gz VKAUQLUOXBEEPP-KOLCDFICSA-N 0 0 238.306 2.412 10 0 BEAERN COC1(C)CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000335992364 536560896 /nfs/dbraw/zinc/56/08/96/536560896.db2.gz TZBOQKJBDQGJJV-RYUDHWBXSA-N 0 0 239.359 2.450 10 0 BEAERN Cc1nc(C(Cl)(Cl)Cl)nc(N)c1F ZINC000685956031 537944675 /nfs/dbraw/zinc/94/46/75/537944675.db2.gz JXKMKVQWHPTJEU-UHFFFAOYSA-N 0 0 244.484 2.333 10 0 BEAERN CO[C@@H](C)C(=O)C=C(O)C1CCCCC1 ZINC000725257114 538061291 /nfs/dbraw/zinc/06/12/91/538061291.db2.gz ILRJGHNFHQQUSS-VIFPVBQESA-N 0 0 212.289 2.130 10 0 BEAERN Cn1nccc1-c1cc(N)c2cccc(F)c2n1 ZINC000725256975 538061136 /nfs/dbraw/zinc/06/11/36/538061136.db2.gz CLPMTDLNNNXDFT-UHFFFAOYSA-N 0 0 242.257 2.357 10 0 BEAERN Cn1nccc1-c1ccn(-c2cccc(F)c2)n1 ZINC000725257689 538066089 /nfs/dbraw/zinc/06/60/89/538066089.db2.gz UPXXMWXUMMWUCD-UHFFFAOYSA-N 0 0 242.257 2.412 10 0 BEAERN CCNc1c(N)cccc1Br ZINC000117795903 566280189 /nfs/dbraw/zinc/28/01/89/566280189.db2.gz RFADESRIXGCVJP-UHFFFAOYSA-N 0 0 215.094 2.463 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCCC[C@@H]1C(C)C ZINC000669376054 566422110 /nfs/dbraw/zinc/42/21/10/566422110.db2.gz CWXOTTHNFPOJIH-MNOVXSKESA-N 0 0 233.377 2.141 10 0 BEAERN CC[C@@H]1CN(C(=O)OC2CC2)C[C@@H](CC)O1 ZINC000669381209 566425655 /nfs/dbraw/zinc/42/56/55/566425655.db2.gz BKVOXMQBRAAONE-NXEZZACHSA-N 0 0 227.304 2.175 10 0 BEAERN Cc1nc(N[C@H]2CCC[C@@H](O)C2)sc1C ZINC000382169593 566492899 /nfs/dbraw/zinc/49/28/99/566492899.db2.gz VZQQQMFXZHRKOT-VHSXEESVSA-N 0 0 226.345 2.475 10 0 BEAERN CC(C)CNC(=O)/C=C/C=C/CCCCO ZINC000071791185 560078266 /nfs/dbraw/zinc/07/82/66/560078266.db2.gz MOZMMOBXPYGKKK-WJDMQLPWSA-N 0 0 225.332 2.034 10 0 biogenic,in-vitro BEAERN C[C@@H](C(=O)C(C)(C)C)C(=O)C(F)(F)F ZINC000395458622 583058692 /nfs/dbraw/zinc/05/86/92/583058692.db2.gz KJAWXUIOQWYRBO-YFKPBYRVSA-N 0 0 210.195 2.369 10 0 BEAERN CC(C)(C)COC(=O)[C@@H]1CSCCS1 ZINC000128450904 583063262 /nfs/dbraw/zinc/06/32/62/583063262.db2.gz RGRIILMWTJVDET-QMMMGPOBSA-N 0 0 234.386 2.424 10 0 BEAERN CC[C@@H]1CN(C(=O)N2CCCCC2)C[C@@H](C)O1 ZINC000111421832 588749126 /nfs/dbraw/zinc/74/91/26/588749126.db2.gz FJVKJKZBKRRWDP-VXGBXAGGSA-N 0 0 240.347 2.092 10 0 BEAERN CC(=O)C1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000111690844 588767324 /nfs/dbraw/zinc/76/73/24/588767324.db2.gz JQJWTTDGTYZRCL-UHFFFAOYSA-N 0 0 236.315 2.092 10 0 BEAERN COCCOC(=O)[C@H](C)Cc1ccccc1 ZINC000112119698 588782495 /nfs/dbraw/zinc/78/24/95/588782495.db2.gz BMEOKBSVWSHOOA-LLVKDONJSA-N 0 0 222.284 2.055 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccsc1 ZINC000112635322 588808053 /nfs/dbraw/zinc/80/80/53/588808053.db2.gz CJKUXPLQXUWFHO-UHFFFAOYSA-N 0 0 207.258 2.032 10 0 BEAERN Cc1nn(C)cc1C(=O)Oc1cccc(C)c1 ZINC000113009775 588822479 /nfs/dbraw/zinc/82/24/79/588822479.db2.gz VXOQLDHDBMPZGW-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN CCC(C)(C)CCn1ccc(=O)c(N)c1 ZINC000711300209 582457469 /nfs/dbraw/zinc/45/74/69/582457469.db2.gz CORJDVQEVKXGGU-UHFFFAOYSA-N 0 0 208.305 2.257 10 0 BEAERN CCc1nc([C@H](O)[C@@H](C)CC)sc1N ZINC000757123736 582498500 /nfs/dbraw/zinc/49/85/00/582498500.db2.gz AYQUJZPQNKBAOJ-POYBYMJQSA-N 0 0 214.334 2.367 10 0 BEAERN CC(=O)c1csc([C@@H](O)C(C)(C)F)n1 ZINC000757124690 582499535 /nfs/dbraw/zinc/49/95/35/582499535.db2.gz CLUBOWCUJIQXTF-SSDOTTSWSA-N 0 0 217.265 2.127 10 0 BEAERN COC(=O)c1sc([C@@H](O)C2CCC2)nc1C ZINC000757128424 582503246 /nfs/dbraw/zinc/50/32/46/582503246.db2.gz KSMPZZAXBRTULZ-QMMMGPOBSA-N 0 0 241.312 2.072 10 0 BEAERN Cn1ccc2cc(NCC(F)(F)CO)ccc21 ZINC000757127766 582503535 /nfs/dbraw/zinc/50/35/35/582503535.db2.gz HWZYXWPMCRYISD-UHFFFAOYSA-N 0 0 240.253 2.218 10 0 BEAERN COc1ccc2nn3c(c2c1)NC[C@H](C)C3 ZINC000235011467 582503612 /nfs/dbraw/zinc/50/36/12/582503612.db2.gz RDFRUDTXHPEQBQ-QMMMGPOBSA-N 0 0 217.272 2.107 10 0 BEAERN CC(=O)c1csc([C@@H](O)C2(C)CC2)n1 ZINC000757130392 582504587 /nfs/dbraw/zinc/50/45/87/582504587.db2.gz QEMDBVIVKGLAAL-MRVPVSSYSA-N 0 0 211.286 2.179 10 0 BEAERN COC(=O)c1csc([C@@H](O)C(C)(C)C)n1 ZINC000757130230 582505260 /nfs/dbraw/zinc/50/52/60/582505260.db2.gz ONUDOECLCJBSRW-SSDOTTSWSA-N 0 0 229.301 2.009 10 0 BEAERN C[C@@H](Nc1ccc2c(ccn2C)c1)[C@H](C)O ZINC000757132966 582508830 /nfs/dbraw/zinc/50/88/30/582508830.db2.gz SGUBVWKVUKIDCX-ZJUUUORDSA-N 0 0 218.300 2.360 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ccc2c(c1)CCN2C ZINC000757133015 582509279 /nfs/dbraw/zinc/50/92/79/582509279.db2.gz SIHAQOKGJYLQTH-MFKMUULPSA-N 0 0 232.327 2.268 10 0 BEAERN CC(C)[C@]1(C)[C@@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168594 582549397 /nfs/dbraw/zinc/54/93/97/582549397.db2.gz IQCAKVPMNRWKNQ-KWBADKCTSA-N 0 0 243.347 2.307 10 0 BEAERN CC[C@@]1(C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O ZINC000757168753 582550155 /nfs/dbraw/zinc/55/01/55/582550155.db2.gz MCCMQTOGEMHFPC-PTRXPTGYSA-N 0 0 229.320 2.061 10 0 BEAERN COC(=O)CSCc1ccc(Cl)o1 ZINC000757169286 582550706 /nfs/dbraw/zinc/55/07/06/582550706.db2.gz HNFJWEOHYLFOBM-UHFFFAOYSA-N 0 0 220.677 2.339 10 0 BEAERN NOCCSCc1ccc(Cl)o1 ZINC000757169209 582550718 /nfs/dbraw/zinc/55/07/18/582550718.db2.gz GNXVEMKYMBFDFF-UHFFFAOYSA-N 0 0 207.682 2.057 10 0 BEAERN Cc1nn(-c2ccc(O)cc2)c(Cl)c1CO ZINC000757170405 582550817 /nfs/dbraw/zinc/55/08/17/582550817.db2.gz AJHATDFYGCNSCS-UHFFFAOYSA-N 0 0 238.674 2.032 10 0 BEAERN Oc1ccc(-n2ncc3ncccc32)cc1 ZINC000757170404 582550781 /nfs/dbraw/zinc/55/07/81/582550781.db2.gz AIXNPLFICLRKTE-UHFFFAOYSA-N 0 0 211.224 2.126 10 0 BEAERN Cc1oc(-c2ccccc2)nc1CC(N)=S ZINC000757177249 582552529 /nfs/dbraw/zinc/55/25/29/582552529.db2.gz NWSPEUMHPUUXOW-UHFFFAOYSA-N 0 0 232.308 2.479 10 0 BEAERN Cc1ccccc1-c1c(N)[nH]c(=S)[nH]c1=O ZINC000757178683 582553222 /nfs/dbraw/zinc/55/32/22/582553222.db2.gz DTUQSSSRTPBTOT-UHFFFAOYSA-N 0 0 233.296 2.029 10 0 BEAERN CC1(C)CC[C@@H]([NH3+])c2c(C(=O)[O-])cccc21 ZINC000757188763 582556011 /nfs/dbraw/zinc/55/60/11/582556011.db2.gz ODGDNUWAYKMVPO-SNVBAGLBSA-N 0 0 219.284 2.456 10 0 BEAERN CC1(C)CC[C@H]([NH3+])c2c(C(=O)[O-])cccc21 ZINC000757188758 582556104 /nfs/dbraw/zinc/55/61/04/582556104.db2.gz ODGDNUWAYKMVPO-JTQLQIEISA-N 0 0 219.284 2.456 10 0 BEAERN CCC1CCC([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000757193485 582557213 /nfs/dbraw/zinc/55/72/13/582557213.db2.gz QZBMTXHHHSDLNA-QQFIATSDSA-N 0 0 225.332 2.123 10 0 BEAERN Cc1cc(Cl)ccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757193406 582557472 /nfs/dbraw/zinc/55/74/72/582557472.db2.gz PATVXSJWGFSOOO-QWRGUYRKSA-N 0 0 239.702 2.036 10 0 BEAERN C[C@H]1C[C@@H](C(CO)CO)CC(C)(C)C1 ZINC000757193518 582557760 /nfs/dbraw/zinc/55/77/60/582557760.db2.gz VTKIRIRLMIWFLL-VHSXEESVSA-N 0 0 200.322 2.050 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1csc2ccccc21 ZINC000757195076 582558313 /nfs/dbraw/zinc/55/83/13/582558313.db2.gz YXKMJTJIGGLECQ-ZJUUUORDSA-N 0 0 247.319 2.289 10 0 BEAERN Cc1c(Cl)cccc1[C@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757195085 582558450 /nfs/dbraw/zinc/55/84/50/582558450.db2.gz ZHDVBUBUGZNTDN-ZJUUUORDSA-N 0 0 239.702 2.036 10 0 BEAERN Nc1cnc(-c2cccc(C(F)F)n2)nc1 ZINC000757195199 582558475 /nfs/dbraw/zinc/55/84/75/582558475.db2.gz HTVMRCQHXGTMMN-UHFFFAOYSA-N 0 0 222.198 2.058 10 0 BEAERN CC(=O)c1ccc([C@@H]2CCC[C@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757216683 582561529 /nfs/dbraw/zinc/56/15/29/582561529.db2.gz PUPMEVFJDQQVHI-QWHCGFSZSA-N 0 0 247.294 2.157 10 0 BEAERN CC(=O)c1cccc([C@@H]2[NH2+]CCC[C@H]2C(=O)[O-])c1 ZINC000757216871 582561787 /nfs/dbraw/zinc/56/17/87/582561787.db2.gz QLGUDMNCVCVFDJ-OLZOCXBDSA-N 0 0 247.294 2.015 10 0 BEAERN CC(=O)c1cccc([C@@H]2[NH2+]CCC[C@@H]2C(=O)[O-])c1 ZINC000757216873 582562000 /nfs/dbraw/zinc/56/20/00/582562000.db2.gz QLGUDMNCVCVFDJ-STQMWFEESA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1[NH2+]CCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757218729 582563452 /nfs/dbraw/zinc/56/34/52/582563452.db2.gz WRNNDGRTWJLDNB-JOYOIKCWSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@H]1CNc2c3ccc(F)cc3nn2C1 ZINC000235578013 582595102 /nfs/dbraw/zinc/59/51/02/582595102.db2.gz VWLNPZAKNMIOBR-ZETCQYMHSA-N 0 0 205.236 2.237 10 0 BEAERN C[C@H]1CCNc2cc(C3CCOCC3)nn21 ZINC000235617245 582596224 /nfs/dbraw/zinc/59/62/24/582596224.db2.gz SIVPNZDSJCFIRS-VIFPVBQESA-N 0 0 221.304 2.154 10 0 BEAERN C[C@H]1CCn2nc(-c3cccnc3)cc2N1 ZINC000235714764 582604949 /nfs/dbraw/zinc/60/49/49/582604949.db2.gz KLKKDEKVXYMMKD-VIFPVBQESA-N 0 0 214.272 2.149 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2c3cc(N)ccc3nn21 ZINC000235741407 582606365 /nfs/dbraw/zinc/60/63/65/582606365.db2.gz PBYMSUPKGFKESQ-JGVFFNPUSA-N 0 0 216.288 2.384 10 0 BEAERN COCCCOC(=O)c1cccc2ncccc21 ZINC000113473082 588839723 /nfs/dbraw/zinc/83/97/23/588839723.db2.gz DDGAWKKDWKZMCN-UHFFFAOYSA-N 0 0 245.278 2.428 10 0 BEAERN Cc1nn2c(c1C)NCC[C@@H]2c1nccs1 ZINC000236005077 582635450 /nfs/dbraw/zinc/63/54/50/582635450.db2.gz DQJCYLKHCOVDJP-SECBINFHSA-N 0 0 234.328 2.361 10 0 BEAERN FC(F)(F)c1nc2n(n1)[C@H](C1CC1)CCN2 ZINC000236115515 582639192 /nfs/dbraw/zinc/63/91/92/582639192.db2.gz UCXRMJWFJWZLCW-LURJTMIESA-N 0 0 232.209 2.064 10 0 BEAERN COC(=O)[C@]1(Cl)OC12C[C@H](C)C[C@@H](C)C2 ZINC000234590221 582642337 /nfs/dbraw/zinc/64/23/37/582642337.db2.gz XMZVUWNDONRARP-XLDPMVHQSA-N 0 0 232.707 2.320 10 0 BEAERN Fc1cccc([C@H]2CCNc3ccnn32)c1 ZINC000236230813 582642372 /nfs/dbraw/zinc/64/23/72/582642372.db2.gz YOXWXGYJZDSZCM-LLVKDONJSA-N 0 0 217.247 2.427 10 0 BEAERN Fc1cccc([C@@H]2CCNc3ccnn32)c1 ZINC000236223977 582642562 /nfs/dbraw/zinc/64/25/62/582642562.db2.gz YOXWXGYJZDSZCM-NSHDSACASA-N 0 0 217.247 2.427 10 0 BEAERN CC1(C)[C@@H]2CN(c3ccc(C=O)o3)C[C@@H]21 ZINC000306564442 582653765 /nfs/dbraw/zinc/65/37/65/582653765.db2.gz WSLZSUQTUUZHRN-AOOOYVTPSA-N 0 0 205.257 2.184 10 0 BEAERN Nc1cnn2c1NCC[C@H]2C1CCCC1 ZINC000236376624 582654099 /nfs/dbraw/zinc/65/40/99/582654099.db2.gz YXQBTKCEKNOKEY-JTQLQIEISA-N 0 0 206.293 2.012 10 0 BEAERN Oc1ccc(-c2cc3n(n2)CCCN3)cc1 ZINC000236569818 582661123 /nfs/dbraw/zinc/66/11/23/582661123.db2.gz LUCCYHWSOPVREU-UHFFFAOYSA-N 0 0 215.256 2.071 10 0 BEAERN N[C@@H](c1ncccn1)c1ccccc1Cl ZINC000038078522 582675253 /nfs/dbraw/zinc/67/52/53/582675253.db2.gz XJCOJLWTRZJBCV-SNVBAGLBSA-N 0 0 219.675 2.178 10 0 BEAERN Cc1cn(C[C@@H]2CCC[C@@H](C)C2)nc1N ZINC000379948725 582685209 /nfs/dbraw/zinc/68/52/09/582685209.db2.gz DODGNGRLCNAMBJ-MWLCHTKSSA-N 0 0 207.321 2.430 10 0 BEAERN Cc1cn(C[C@H]2CCCC2(F)F)nc1N ZINC000381541877 582689525 /nfs/dbraw/zinc/68/95/25/582689525.db2.gz DEHMKAZEXJVYTA-MRVPVSSYSA-N 0 0 215.247 2.039 10 0 BEAERN Cc1occc1COC(=O)[C@@H]1CCCOC1 ZINC000113679386 588848157 /nfs/dbraw/zinc/84/81/57/588848157.db2.gz LBDVCUPPPZIZGY-LLVKDONJSA-N 0 0 224.256 2.058 10 0 BEAERN CS[C@@H](C)C(=O)O[C@@H](C)c1cccnc1 ZINC000113684752 588850021 /nfs/dbraw/zinc/85/00/21/588850021.db2.gz YBGCFQMJELJTHZ-IUCAKERBSA-N 0 0 225.313 2.437 10 0 BEAERN CCOCCC(=O)C1=C(O)CCCCC1 ZINC000043651211 582805700 /nfs/dbraw/zinc/80/57/00/582805700.db2.gz RXGQLMVXUOTDKM-SNVBAGLBSA-N 0 0 212.289 2.132 10 0 BEAERN C[C@H](OC(=O)C(C1CC1)C1CC1)[C@H]1CCOC1 ZINC000127698307 582818678 /nfs/dbraw/zinc/81/86/78/582818678.db2.gz LQYKXYQYYYQNKO-CABZTGNLSA-N 0 0 238.327 2.391 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NC[C@H]2Cc3ccccc32)O1 ZINC000246032556 582873042 /nfs/dbraw/zinc/87/30/42/582873042.db2.gz NUGRTCUVJLHLAE-QKCSRTOESA-N 0 0 245.322 2.010 10 0 BEAERN Cc1c(N)cnn1C[C@@H](C)CC(F)F ZINC000704918669 582950161 /nfs/dbraw/zinc/95/01/61/582950161.db2.gz MIBDTCWIDZHNEA-LURJTMIESA-N 0 0 203.236 2.065 10 0 BEAERN O=C(C=C(O)[C@@]12C[C@@H]1CCCC2)C(F)F ZINC000709144754 582992985 /nfs/dbraw/zinc/99/29/85/582992985.db2.gz CUTDJPDRGHLCTE-CPCISQLKSA-N 0 0 216.227 2.360 10 0 BEAERN CC[C@H](C(=O)CCOC)C(=O)C(C)(C)C ZINC000395298688 583052251 /nfs/dbraw/zinc/05/22/51/583052251.db2.gz SCVYVUNXJFROOX-SECBINFHSA-N 0 0 214.305 2.233 10 0 BEAERN CC(F)(F)C(=O)C=C(O)[C@H]1CC1(C)C ZINC000397687839 583106334 /nfs/dbraw/zinc/10/63/34/583106334.db2.gz NSYRWXCLNOYCRA-ZCFIWIBFSA-N 0 0 204.216 2.216 10 0 BEAERN Nc1nn(CCCC(F)(F)F)cc1Cl ZINC000123649585 583205241 /nfs/dbraw/zinc/20/52/41/583205241.db2.gz IXSJZKFVFOMHIX-UHFFFAOYSA-N 0 0 227.617 2.461 10 0 BEAERN FC(F)[C@H]1CCNc2nc(C3CCC3)nn21 ZINC000236128911 583210975 /nfs/dbraw/zinc/21/09/75/583210975.db2.gz JVBKGPYQFHJPLC-SSDOTTSWSA-N 0 0 228.246 2.167 10 0 BEAERN COC(=O)[C@@](C)(CCC(C)=O)C(C)C ZINC000138991866 583315146 /nfs/dbraw/zinc/31/51/46/583315146.db2.gz ZIIWTDYBBHQCLS-NSHDSACASA-N 0 0 200.278 2.191 10 0 BEAERN O=C([O-])c1cc(Cl)cc(CN2CCC2)c1 ZINC000669379695 583949167 /nfs/dbraw/zinc/94/91/67/583949167.db2.gz JWMHODFCABKNAC-UHFFFAOYSA-N 0 0 225.675 2.244 10 0 BEAERN C[C@@H]1C[C@H](C)CC(O)=C1C(=O)C(F)F ZINC000203686411 583979325 /nfs/dbraw/zinc/97/93/25/583979325.db2.gz FDBZOWBNGBLLQA-BBVRLYRLSA-N 0 0 204.216 2.072 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccnc(NC2CCC2)c1 ZINC000900540200 584323750 /nfs/dbraw/zinc/32/37/50/584323750.db2.gz HRYGWMYMTVYIOR-JOYOIKCWSA-N 0 0 245.326 2.184 10 0 BEAERN Cc1cccn2c(C=O)c(C(F)(F)F)nc12 ZINC000001527443 584912510 /nfs/dbraw/zinc/91/25/10/584912510.db2.gz GYZMDHWNHAFNFL-UHFFFAOYSA-N 0 0 228.173 2.474 10 0 BEAERN COC[C@H](C)C(=O)OC[C@@H]1CC=CCC1 ZINC000103356664 585096794 /nfs/dbraw/zinc/09/67/94/585096794.db2.gz NWDLTDSPFFYJHR-WDEREUQCSA-N 0 0 212.289 2.168 10 0 BEAERN COC[C@@H](C)C(=O)OCC1CCCCC1 ZINC000103551783 585335907 /nfs/dbraw/zinc/33/59/07/585335907.db2.gz DZUAURUFCAUJIS-SNVBAGLBSA-N 0 0 214.305 2.392 10 0 BEAERN CCC[C@H](C)c1nc2[nH]ccc2c(N)n1 ZINC000757569681 586376674 /nfs/dbraw/zinc/37/66/74/586376674.db2.gz UVZJMFVHQSWFDC-ZETCQYMHSA-N 0 0 204.277 2.395 10 0 BEAERN C[C@@H](OC[C@H]1CCCO1)C(=O)OCC(C)(C)C ZINC000103699961 586418412 /nfs/dbraw/zinc/41/84/12/586418412.db2.gz LLAJNHWLXDTJNO-GHMZBOCLSA-N 0 0 244.331 2.160 10 0 BEAERN CC[C@H](C)[C@@H](O)c1ncc(C(C)=O)s1 ZINC000757133697 586427038 /nfs/dbraw/zinc/42/70/38/586427038.db2.gz WUCYIFMMTZGTFM-IMTBSYHQSA-N 0 0 213.302 2.425 10 0 BEAERN Cc1cc(CC(=O)CN(C)C)ccc1Cl ZINC000757154041 586429355 /nfs/dbraw/zinc/42/93/55/586429355.db2.gz USHGCQXUJLYHFL-UHFFFAOYSA-N 0 0 225.719 2.322 10 0 BEAERN Cc1cc(C[C@@]2(O)CCOC2)ccc1Cl ZINC000757156522 586430250 /nfs/dbraw/zinc/43/02/50/586430250.db2.gz IYKXXYZSWMICCX-LBPRGKRZSA-N 0 0 226.703 2.342 10 0 BEAERN Cc1cc(Cn2cnc(N)c2)ccc1Cl ZINC000757161643 586432363 /nfs/dbraw/zinc/43/23/63/586432363.db2.gz XCHXTFYKXKOMJD-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CCC[C@]1(C)[C@H](O)C[C@H]1NC(=O)OC(C)(C)C ZINC000757168621 586432690 /nfs/dbraw/zinc/43/26/90/586432690.db2.gz JMRNEENAZKDKBE-BREBYQMCSA-N 0 0 243.347 2.451 10 0 BEAERN Cc1nc(-c2cc(N)ccc2F)[nH]c1C ZINC000757175342 586433141 /nfs/dbraw/zinc/43/31/41/586433141.db2.gz NAIROUZATLXFND-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN CCOC(=O)[C@]1(F)C[C@@H](CC)CCC1=O ZINC000757182872 586433515 /nfs/dbraw/zinc/43/35/15/586433515.db2.gz LYWLGNZEJMTSFL-KWQFWETISA-N 0 0 216.252 2.037 10 0 BEAERN CCOC(=O)/C=C1/CC(C)(C)OC1(C)C ZINC000757183057 586433715 /nfs/dbraw/zinc/43/37/15/586433715.db2.gz AVNJMSODPJKRCB-CLFYSBASSA-N 0 0 212.289 2.453 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2cc(C)cc(C)c2)C1 ZINC000757185880 586433907 /nfs/dbraw/zinc/43/39/07/586433907.db2.gz DFPVVCGUNFBXKG-KGLIPLIRSA-N 0 0 247.338 2.423 10 0 BEAERN CCOC(=O)[C@@]1(F)CC(C)(C)CCC1=O ZINC000757184513 586434242 /nfs/dbraw/zinc/43/42/42/586434242.db2.gz YDSHKHRBLILPJS-LLVKDONJSA-N 0 0 216.252 2.037 10 0 BEAERN CCc1ccc([C@H]2C[N@H+](CC)C[C@H]2C(=O)[O-])cc1 ZINC000757187519 586434498 /nfs/dbraw/zinc/43/44/98/586434498.db2.gz GRUGFSGWMKGAOU-ZIAGYGMSSA-N 0 0 247.338 2.369 10 0 BEAERN CC[N@H+]1C[C@@H](c2cccc(C)c2)[C@H](C(=O)[O-])C1 ZINC000757186282 586434665 /nfs/dbraw/zinc/43/46/65/586434665.db2.gz GALFQMKOWLYPAI-QWHCGFSZSA-N 0 0 233.311 2.115 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C)cc2C)C1 ZINC000757189048 586435097 /nfs/dbraw/zinc/43/50/97/586435097.db2.gz IXTARTWRGPZKOI-KGLIPLIRSA-N 0 0 247.338 2.423 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2C)C1 ZINC000757189016 586435215 /nfs/dbraw/zinc/43/52/15/586435215.db2.gz IXEDRNZXUWECHQ-STQMWFEESA-N 0 0 233.311 2.115 10 0 BEAERN Cc1cccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c1C ZINC000757192405 586435821 /nfs/dbraw/zinc/43/58/21/586435821.db2.gz OJPDHQQLFMAREL-STQMWFEESA-N 0 0 233.311 2.033 10 0 BEAERN Cc1cccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c1C ZINC000757192403 586435842 /nfs/dbraw/zinc/43/58/42/586435842.db2.gz OJPDHQQLFMAREL-OLZOCXBDSA-N 0 0 233.311 2.033 10 0 BEAERN CC(C)[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000757193929 586436245 /nfs/dbraw/zinc/43/62/45/586436245.db2.gz WYOBYKMACIDBNI-STQMWFEESA-N 0 0 233.311 2.195 10 0 BEAERN Cc1nn(C2CCC(C)CC2)cc1C(N)=O ZINC000757195390 586436316 /nfs/dbraw/zinc/43/63/16/586436316.db2.gz FLWZYRJAULQUEV-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C)cc2)C1 ZINC000757193675 586436567 /nfs/dbraw/zinc/43/65/67/586436567.db2.gz UGCFXVSZZYCOQK-CHWSQXEVSA-N 0 0 233.311 2.115 10 0 BEAERN C[C@@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757215003 586440271 /nfs/dbraw/zinc/44/02/71/586440271.db2.gz MEIGZKKCESQEIJ-SKDRFNHKSA-N 0 0 219.284 2.445 10 0 BEAERN CC(=O)c1ccc([C@@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757216687 586441333 /nfs/dbraw/zinc/44/13/33/586441333.db2.gz PUPMEVFJDQQVHI-STQMWFEESA-N 0 0 247.294 2.157 10 0 BEAERN O=C([O-])[C@@H]1C[C@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757220819 586442366 /nfs/dbraw/zinc/44/23/66/586442366.db2.gz ZOLVFHBCEARJTO-PWSUYJOCSA-N 0 0 244.294 2.088 10 0 BEAERN C[C@H]1CC[NH2+]C[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757228511 586442681 /nfs/dbraw/zinc/44/26/81/586442681.db2.gz CVTSQGOYPKWFGM-JOYOIKCWSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757232647 586443165 /nfs/dbraw/zinc/44/31/65/586443165.db2.gz JCXHPZKZEJMURQ-CABZTGNLSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1C[NH2+]C[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757236331 586443660 /nfs/dbraw/zinc/44/36/60/586443660.db2.gz OFNZDGXZLJVIMT-BXKDBHETSA-N 0 0 219.284 2.098 10 0 BEAERN Cc1ccc(N)cc1[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](C)[NH2+]1 ZINC000757235739 586443932 /nfs/dbraw/zinc/44/39/32/586443932.db2.gz MOEGRVXDGQRFHP-NRUUGDAUSA-N 0 0 248.326 2.091 10 0 BEAERN C[C@H]1[NH2+]CCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757243207 586445184 /nfs/dbraw/zinc/44/51/84/586445184.db2.gz ZWNLWZVIQUWBKZ-BXKDBHETSA-N 0 0 219.284 2.240 10 0 BEAERN CCCCc1nc2[nH]ccc2c(N(C)C)n1 ZINC000757565841 586461785 /nfs/dbraw/zinc/46/17/85/586461785.db2.gz IIMZWLORTNJGGJ-UHFFFAOYSA-N 0 0 218.304 2.367 10 0 BEAERN CCC[C@H](C)n1nnc2c1ncnc2Cl ZINC000757567484 586461814 /nfs/dbraw/zinc/46/18/14/586461814.db2.gz NNBHWNSOBUZSKW-LURJTMIESA-N 0 0 225.683 2.236 10 0 BEAERN CCOc1cccc(-c2nnc[nH]2)c1F ZINC000757567498 586462121 /nfs/dbraw/zinc/46/21/21/586462121.db2.gz UINNQCSPRQJOID-UHFFFAOYSA-N 0 0 207.208 2.010 10 0 BEAERN CC[C@@H](C)c1nc2[nH]ccc2c(NC)n1 ZINC000757570315 586462340 /nfs/dbraw/zinc/46/23/40/586462340.db2.gz WQDLYXRXOJYEDR-SSDOTTSWSA-N 0 0 204.277 2.465 10 0 BEAERN CCO[C@@H](C)c1nc2[nH]ccc2c(N(C)C)n1 ZINC000757569902 586462670 /nfs/dbraw/zinc/46/26/70/586462670.db2.gz VCZXJURQGNCXME-QMMMGPOBSA-N 0 0 234.303 2.121 10 0 BEAERN Cc1ccccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121365643 587392992 /nfs/dbraw/zinc/39/29/92/587392992.db2.gz MXWLFIJVPBNSGQ-JQWIXIFHSA-N 0 0 220.268 2.468 10 0 BEAERN CC/C=C/COC(=O)CC1CCOCC1 ZINC000117532917 589102965 /nfs/dbraw/zinc/10/29/65/589102965.db2.gz JGCNBRFUDDGESQ-ONEGZZNKSA-N 0 0 212.289 2.313 10 0 BEAERN COC(=O)[C@H](CC(C)C)OC(=O)C=C1CCC1 ZINC000121504829 587951947 /nfs/dbraw/zinc/95/19/47/587951947.db2.gz YSRKTYQKAVWGGM-NSHDSACASA-N 0 0 240.299 2.228 10 0 BEAERN Cc1ccoc1C(=O)OCCc1cccnc1 ZINC000105556315 588200437 /nfs/dbraw/zinc/20/04/37/588200437.db2.gz KOYOLIJOWACVIJ-UHFFFAOYSA-N 0 0 231.251 2.383 10 0 BEAERN CCCC(=O)NCC(=O)Oc1cc(C)cc(C)c1 ZINC000105755070 588220842 /nfs/dbraw/zinc/22/08/42/588220842.db2.gz JXXDBPDZKDYZNM-UHFFFAOYSA-N 0 0 249.310 2.125 10 0 BEAERN C/C=C/C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000105824299 588224594 /nfs/dbraw/zinc/22/45/94/588224594.db2.gz XRMUCQVCVHMUBX-PORFMDCZSA-N 0 0 249.310 2.457 10 0 BEAERN O=C(OCC1CC1)c1ccc(-c2ncon2)cc1 ZINC000107410159 588361858 /nfs/dbraw/zinc/36/18/58/588361858.db2.gz GGRWNRCFOFSGCW-UHFFFAOYSA-N 0 0 244.250 2.303 10 0 BEAERN CCCOCCOC(=O)c1cc(Cl)cn1C ZINC000107413500 588362375 /nfs/dbraw/zinc/36/23/75/588362375.db2.gz LHGSBBFRWMNYGR-UHFFFAOYSA-N 0 0 245.706 2.262 10 0 BEAERN O=C(Nc1ncccn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000006340561 588366067 /nfs/dbraw/zinc/36/60/67/588366067.db2.gz SBWFRFOMMVQMAI-NWDGAFQWSA-N 0 0 239.278 2.219 10 0 BEAERN Cc1cc(C(=O)OC2CCOCC2)ccc1F ZINC000108945228 588505992 /nfs/dbraw/zinc/50/59/92/588505992.db2.gz KBMYVUVJPJPDHB-UHFFFAOYSA-N 0 0 238.258 2.470 10 0 BEAERN CSC[C@H](C)C(=O)OCc1ccoc1 ZINC000109039286 588512707 /nfs/dbraw/zinc/51/27/07/588512707.db2.gz QSHOHRKSIAOMCZ-QMMMGPOBSA-N 0 0 214.286 2.322 10 0 BEAERN Cc1ccc(CC(=O)OCC(=O)C2CC2)cc1 ZINC000109367798 588556612 /nfs/dbraw/zinc/55/66/12/588556612.db2.gz LALSOMBGLZWSCM-UHFFFAOYSA-N 0 0 232.279 2.060 10 0 BEAERN Cc1cccc(CCC(=O)OCC(=O)C2CC2)c1 ZINC000109368062 588557018 /nfs/dbraw/zinc/55/70/18/588557018.db2.gz RWJWNLVWCLNZIP-UHFFFAOYSA-N 0 0 246.306 2.450 10 0 BEAERN CCCc1cc(NC(=O)C=C(C)C)n[nH]1 ZINC000110014463 588606704 /nfs/dbraw/zinc/60/67/04/588606704.db2.gz VNXNPJVETJWXBE-UHFFFAOYSA-N 0 0 207.277 2.267 10 0 BEAERN CCCn1cnnc1COC(=O)C(CC)CC ZINC000119551405 589303125 /nfs/dbraw/zinc/30/31/25/589303125.db2.gz BYSYGMNNKDOLOK-UHFFFAOYSA-N 0 0 239.319 2.168 10 0 BEAERN CCO[C@@H]1C[C@@H](OC(C)=O)C12CCCC2 ZINC000119599328 589310916 /nfs/dbraw/zinc/31/09/16/589310916.db2.gz VFEMKEPQEHEPAD-GHMZBOCLSA-N 0 0 212.289 2.287 10 0 BEAERN CCO[C@H]1C[C@H](OC(C)=O)C12CCCC2 ZINC000119599160 589311078 /nfs/dbraw/zinc/31/10/78/589311078.db2.gz VFEMKEPQEHEPAD-QWRGUYRKSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1c(C(=O)Oc2ccc(F)cc2)cnn1C ZINC000119608157 589314167 /nfs/dbraw/zinc/31/41/67/589314167.db2.gz JYBGPDIHHWCYDD-UHFFFAOYSA-N 0 0 234.230 2.087 10 0 BEAERN Cc1c(C(=O)Oc2cccc(C)c2)cnn1C ZINC000119606057 589314359 /nfs/dbraw/zinc/31/43/59/589314359.db2.gz HUMADNHLICGQMZ-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN Cc1c(C(=O)Oc2cccc(F)c2)cnn1C ZINC000119620204 589314480 /nfs/dbraw/zinc/31/44/80/589314480.db2.gz FIXZEKMIMOGWNA-UHFFFAOYSA-N 0 0 234.230 2.087 10 0 BEAERN CCCOCCOC(=O)C1(CCOC)CCC1 ZINC000119898572 589347139 /nfs/dbraw/zinc/34/71/39/589347139.db2.gz NYJDHFRGVUJDTB-UHFFFAOYSA-N 0 0 244.331 2.163 10 0 BEAERN CCc1oc(C(=O)O[C@H](C)COC)cc1C ZINC000120257091 589398009 /nfs/dbraw/zinc/39/80/09/589398009.db2.gz IORDJJCUSWOTQE-SECBINFHSA-N 0 0 226.272 2.342 10 0 BEAERN COc1cccc(C(=O)OCC(F)(F)F)c1 ZINC000121132152 589502473 /nfs/dbraw/zinc/50/24/73/589502473.db2.gz ANGYDVGTTRFEBS-UHFFFAOYSA-N 0 0 234.173 2.414 10 0 BEAERN COc1ccc(CC(=O)OCC(F)(F)F)cc1 ZINC000121132326 589502879 /nfs/dbraw/zinc/50/28/79/589502879.db2.gz VLCXHEVKQGLSOK-UHFFFAOYSA-N 0 0 248.200 2.343 10 0 BEAERN C[C@H](OC(=O)C=C1CCC1)[C@H]1CCOC1 ZINC000122044236 589551430 /nfs/dbraw/zinc/55/14/30/589551430.db2.gz USHAXIGQUCHWPC-ONGXEEELSA-N 0 0 210.273 2.065 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCCc2ccccc2)O1 ZINC000122244593 589572548 /nfs/dbraw/zinc/57/25/48/589572548.db2.gz QTQJHLUXLHNDGS-WCQYABFASA-N 0 0 234.295 2.340 10 0 BEAERN Cc1nc(C(=O)N[C@@H](C)c2ccccc2C)no1 ZINC000122445879 589591225 /nfs/dbraw/zinc/59/12/25/589591225.db2.gz DIXRDMMWEPDKHE-VIFPVBQESA-N 0 0 245.282 2.177 10 0 BEAERN CCCCNC(=S)N1CCS[C@@H](C)C1 ZINC000122475183 589592414 /nfs/dbraw/zinc/59/24/14/589592414.db2.gz YBDPWPSDVGDDNZ-VIFPVBQESA-N 0 0 232.418 2.098 10 0 BEAERN Cc1c(CCC(=O)OCC(C)(C)C)cnn1C ZINC000122616296 589610447 /nfs/dbraw/zinc/61/04/47/589610447.db2.gz IEYJOGXOZPVYQG-UHFFFAOYSA-N 0 0 238.331 2.250 10 0 BEAERN CCc1ccc(C(=O)OCc2nccn2C)cc1 ZINC000122710519 589620683 /nfs/dbraw/zinc/62/06/83/589620683.db2.gz JISWKEDKTYYOPR-UHFFFAOYSA-N 0 0 244.294 2.340 10 0 BEAERN Cc1ccc(C(=O)OCc2nccn2C)c(C)c1 ZINC000122710773 589620717 /nfs/dbraw/zinc/62/07/17/589620717.db2.gz UYYALBJDWNTEFV-UHFFFAOYSA-N 0 0 244.294 2.394 10 0 BEAERN Cc1ccsc1C(=O)OCc1nccn1C ZINC000122708644 589620730 /nfs/dbraw/zinc/62/07/30/589620730.db2.gz KAEJKZYNQCXEIN-UHFFFAOYSA-N 0 0 236.296 2.147 10 0 BEAERN Cc1ccc(C(=O)OCc2nccn2C)cc1F ZINC000122723835 589624816 /nfs/dbraw/zinc/62/48/16/589624816.db2.gz PRJHUVPEUCZNMB-UHFFFAOYSA-N 0 0 248.257 2.225 10 0 BEAERN Cn1ccnc1CNc1ccc(Cl)nc1 ZINC000122816263 589634579 /nfs/dbraw/zinc/63/45/79/589634579.db2.gz FTVQPYIZJQVRGF-UHFFFAOYSA-N 0 0 222.679 2.081 10 0 BEAERN CC(C)OCCOC(=O)C[C@H]1C=CCC1 ZINC000122863157 589640180 /nfs/dbraw/zinc/64/01/80/589640180.db2.gz XWIGAALSQUOLJL-NSHDSACASA-N 0 0 212.289 2.311 10 0 BEAERN COCCC1(C(=O)OCc2ccoc2)CC1 ZINC000122909513 589643516 /nfs/dbraw/zinc/64/35/16/589643516.db2.gz ILGTVEDJSPWXOL-UHFFFAOYSA-N 0 0 224.256 2.140 10 0 BEAERN CC(C)(C)SCC(=O)NCc1cscn1 ZINC000123097716 589661996 /nfs/dbraw/zinc/66/19/96/589661996.db2.gz USRZVKAJSJREIE-UHFFFAOYSA-N 0 0 244.385 2.291 10 0 BEAERN C[C@H](NCc1ccoc1)C(=O)OC(C)(C)C ZINC000123563491 589754006 /nfs/dbraw/zinc/75/40/06/589754006.db2.gz YYEBVSXUAFLQLW-VIFPVBQESA-N 0 0 225.288 2.099 10 0 BEAERN COC[C@@H](C)NC(=S)N[C@H](C)C1CCCC1 ZINC000123621742 589759150 /nfs/dbraw/zinc/75/91/50/589759150.db2.gz LFHDQVQYUDXUNK-NXEZZACHSA-N 0 0 244.404 2.064 10 0 BEAERN CCCn1cnnc1COC(=O)C[C@@H]1C=CCC1 ZINC000123930624 589862479 /nfs/dbraw/zinc/86/24/79/589862479.db2.gz ZNGKWOUQIJFRGI-LLVKDONJSA-N 0 0 249.314 2.088 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Oc2cc(F)cc(F)c2)O1 ZINC000123969160 589887764 /nfs/dbraw/zinc/88/77/64/589887764.db2.gz LDMUMNQQACBGKU-RDDDGLTNSA-N 0 0 242.221 2.438 10 0 BEAERN C[S@](=O)CCNc1nccc2sccc21 ZINC000124021824 589904862 /nfs/dbraw/zinc/90/48/62/589904862.db2.gz MUSNUEQSGAMULX-OAHLLOKOSA-N 0 0 240.353 2.087 10 0 BEAERN CC[C@@H](C)OC(=O)c1ccnc(-n2ccnc2)c1 ZINC000124547270 590049320 /nfs/dbraw/zinc/04/93/20/590049320.db2.gz LOAMFHMDBBNEQT-SNVBAGLBSA-N 0 0 245.282 2.223 10 0 BEAERN Cc1nccn1-c1ccc(C=O)cc1F ZINC000020079223 590071036 /nfs/dbraw/zinc/07/10/36/590071036.db2.gz PUBSBZLJHQNMMT-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Oc2ccc(F)cc2)O1 ZINC000124781193 590084963 /nfs/dbraw/zinc/08/49/63/590084963.db2.gz HNAAXNLWHILJQL-KWQFWETISA-N 0 0 224.231 2.299 10 0 BEAERN CCCCN(C)c1ccc([C@@H](C)O)cn1 ZINC000124897710 590098298 /nfs/dbraw/zinc/09/82/98/590098298.db2.gz KYKKBSWUMHMXIV-SNVBAGLBSA-N 0 0 208.305 2.371 10 0 BEAERN C[C@H](O)c1ccc(N2C[C@H](C)[C@H](C)C2)nc1 ZINC000124946228 590102799 /nfs/dbraw/zinc/10/27/99/590102799.db2.gz PVXBIHAUUMMMFM-AXFHLTTASA-N 0 0 220.316 2.227 10 0 BEAERN C[C@@H](O)c1ccc(N2CCC(C)(C)C2)nc1 ZINC000124947557 590102825 /nfs/dbraw/zinc/10/28/25/590102825.db2.gz OMQXIHDEVOFWPK-SNVBAGLBSA-N 0 0 220.316 2.371 10 0 BEAERN Cc1nn(-c2cncc(C=O)c2)cc1Cl ZINC000125001259 590110837 /nfs/dbraw/zinc/11/08/37/590110837.db2.gz HYMGBHBYGGKXBZ-UHFFFAOYSA-N 0 0 221.647 2.042 10 0 BEAERN CSCCCCNC(=O)N1CCCCC1 ZINC000125061624 590117010 /nfs/dbraw/zinc/11/70/10/590117010.db2.gz WVTMROCTJQIXAC-UHFFFAOYSA-N 0 0 230.377 2.325 10 0 BEAERN Cc1ccccc1CC(=O)OCc1nccn1C ZINC000125090048 590120366 /nfs/dbraw/zinc/12/03/66/590120366.db2.gz OOPVJHNWOPVNTH-UHFFFAOYSA-N 0 0 244.294 2.014 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCc2ccsc2)O1 ZINC000125370875 590162699 /nfs/dbraw/zinc/16/26/99/590162699.db2.gz AZSWWJWMTIUVPV-PSASIEDQSA-N 0 0 226.297 2.359 10 0 BEAERN CC(C)NC(=S)NC[C@@H](C)C(C)C ZINC000125372599 590162829 /nfs/dbraw/zinc/16/28/29/590162829.db2.gz GTKHTBJYAHQFFQ-SECBINFHSA-N 0 0 202.367 2.151 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)OCCF ZINC000125453516 590164906 /nfs/dbraw/zinc/16/49/06/590164906.db2.gz AZYMICVBNAPOJH-SNVBAGLBSA-N 0 0 210.248 2.378 10 0 BEAERN O=C(OC1CCCC1)c1cnn2c1CCCC2 ZINC000125659284 590177143 /nfs/dbraw/zinc/17/71/43/590177143.db2.gz ZWZAAUNVJCNSRU-UHFFFAOYSA-N 0 0 234.299 2.319 10 0 BEAERN CC[C@H](C)COC(=O)c1cnn2c1CCCC2 ZINC000125869411 590194161 /nfs/dbraw/zinc/19/41/61/590194161.db2.gz DXZKMVHDQPSNFS-JTQLQIEISA-N 0 0 236.315 2.422 10 0 BEAERN CSCCCCNC(=O)C=C(C)C ZINC000126056250 590221633 /nfs/dbraw/zinc/22/16/33/590221633.db2.gz HNWSAHPZYWFIFT-UHFFFAOYSA-N 0 0 201.335 2.212 10 0 BEAERN CC(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000126198848 590247784 /nfs/dbraw/zinc/24/77/84/590247784.db2.gz MNWJORCNZZLMOC-NSHDSACASA-N 0 0 220.272 2.271 10 0 BEAERN CC(C)(C)c1csc(CNC2(CO)CC2)n1 ZINC000126372601 590294579 /nfs/dbraw/zinc/29/45/79/590294579.db2.gz AJNRMEZPUITCDA-UHFFFAOYSA-N 0 0 240.372 2.055 10 0 BEAERN C[C@H](OC(=O)Cc1ccoc1)C(F)(F)F ZINC000126402283 590301525 /nfs/dbraw/zinc/30/15/25/590301525.db2.gz RLJOBSYGTVCHDG-LURJTMIESA-N 0 0 222.162 2.316 10 0 BEAERN CCCC[C@H](C)OC(=O)CCCC(=O)NCC ZINC000126646618 590391485 /nfs/dbraw/zinc/39/14/85/590391485.db2.gz PXSPXPYXYLOSNO-NSHDSACASA-N 0 0 243.347 2.415 10 0 BEAERN CCCC[C@@H](C)OC(=O)CCCC(=O)NCC ZINC000126646412 590391909 /nfs/dbraw/zinc/39/19/09/590391909.db2.gz PXSPXPYXYLOSNO-LLVKDONJSA-N 0 0 243.347 2.415 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1cnn(C)c1C ZINC000126683291 590413454 /nfs/dbraw/zinc/41/34/54/590413454.db2.gz FULAFOXZPWXNES-SECBINFHSA-N 0 0 224.304 2.464 10 0 BEAERN CCCC[C@@H](C)OC(=O)CCc1nc(C)no1 ZINC000126746067 590432426 /nfs/dbraw/zinc/43/24/26/590432426.db2.gz VRNAEVSBUVTTRG-SECBINFHSA-N 0 0 240.303 2.433 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1ccc(C)[nH]c1=O ZINC000126796313 590446849 /nfs/dbraw/zinc/44/68/49/590446849.db2.gz XWFREVHKBFBJKS-SNVBAGLBSA-N 0 0 237.299 2.419 10 0 BEAERN CCCC[C@H](C)OC(=O)c1ccc(=O)n(C)c1 ZINC000126804597 590457659 /nfs/dbraw/zinc/45/76/59/590457659.db2.gz AXWPXXPZMQIIEZ-JTQLQIEISA-N 0 0 237.299 2.121 10 0 BEAERN Cc1nn(C)c(C)c1CCOC(=O)C=C1CCC1 ZINC000126853006 590474219 /nfs/dbraw/zinc/47/42/19/590474219.db2.gz NMCTUVRHSHCHII-UHFFFAOYSA-N 0 0 248.326 2.233 10 0 BEAERN C[C@@H](OCC1CC1)C(=O)OC1(C)CCC1 ZINC000127087205 590561142 /nfs/dbraw/zinc/56/11/42/590561142.db2.gz KSXBPTDZEVUNNL-SECBINFHSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CC1CCOCC1 ZINC000127141846 590574968 /nfs/dbraw/zinc/57/49/68/590574968.db2.gz FBLDHDTZHNCNSI-SNVBAGLBSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)[C@@H](C)OC(=O)C1CCOCC1 ZINC000127316041 590617349 /nfs/dbraw/zinc/61/73/49/590617349.db2.gz ODFIPGFXFPNEFA-SECBINFHSA-N 0 0 200.278 2.001 10 0 BEAERN CC(C)[C@H](C)OC(=O)Cc1cn2ccccc2n1 ZINC000127317672 590618289 /nfs/dbraw/zinc/61/82/89/590618289.db2.gz GGOZUTXDVQARDH-NSHDSACASA-N 0 0 246.310 2.465 10 0 BEAERN CC(C)Cc1noc([C@@]2(C)CCCCN2)n1 ZINC000127573040 590713382 /nfs/dbraw/zinc/71/33/82/590713382.db2.gz KMGCBQFHUSMANR-GFCCVEGCSA-N 0 0 223.320 2.257 10 0 BEAERN CC(C)NC(=S)N1C[C@H](C)CC[C@H]1C ZINC000127946765 590849819 /nfs/dbraw/zinc/84/98/19/590849819.db2.gz MHZQBBHRJWQNLJ-NXEZZACHSA-N 0 0 214.378 2.390 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CCNC(=O)C(C)(C)C ZINC000127940913 590850041 /nfs/dbraw/zinc/85/00/41/590850041.db2.gz VWTDDVVTGGYCGH-SNVBAGLBSA-N 0 0 243.347 2.127 10 0 BEAERN Cc1noc(C)c1CC(=O)O[C@H](C)C(C)C ZINC000127966793 590859260 /nfs/dbraw/zinc/85/92/60/590859260.db2.gz HDIXFUZOIXMNKY-SECBINFHSA-N 0 0 225.288 2.422 10 0 BEAERN CCOCCO[C@H](C)C(=O)O[C@@H](C)C(C)C ZINC000128054270 590884467 /nfs/dbraw/zinc/88/44/67/590884467.db2.gz GKMBUIWBCFAIPO-WDEREUQCSA-N 0 0 232.320 2.016 10 0 BEAERN CCOCCO[C@@H](C)C(=O)O[C@@H](C)C(C)C ZINC000128054022 590885439 /nfs/dbraw/zinc/88/54/39/590885439.db2.gz GKMBUIWBCFAIPO-QWRGUYRKSA-N 0 0 232.320 2.016 10 0 BEAERN C=COCCOC(=O)c1ccc(OC)cc1 ZINC000128370279 591010564 /nfs/dbraw/zinc/01/05/64/591010564.db2.gz RUJQDJXPJFFFHW-UHFFFAOYSA-N 0 0 222.240 2.012 10 0 BEAERN C=COCCOC(=O)c1ccc(F)cc1F ZINC000128379033 591011182 /nfs/dbraw/zinc/01/11/82/591011182.db2.gz IBWGINZJPWIASQ-UHFFFAOYSA-N 0 0 228.194 2.282 10 0 BEAERN CCc1cccc(CC(=O)NN2CCCCC2)c1 ZINC000128536041 591114090 /nfs/dbraw/zinc/11/40/90/591114090.db2.gz NEWCUPOULHCJIC-UHFFFAOYSA-N 0 0 246.354 2.309 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C/C(Cl)=C/Cl ZINC000128610411 591141275 /nfs/dbraw/zinc/14/12/75/591141275.db2.gz NAMAWTPFJFKGKD-VPJUWPHDSA-N 0 0 224.131 2.415 10 0 BEAERN CC/C=C(/C)C(=O)NCc1cccc(OC)n1 ZINC000128621437 591141553 /nfs/dbraw/zinc/14/15/53/591141553.db2.gz NMNNMNCTHHVDHJ-POHAHGRESA-N 0 0 234.299 2.063 10 0 BEAERN C/C=C\C(=O)N[C@@H](C)c1ccccc1OC ZINC000211343360 591161791 /nfs/dbraw/zinc/16/17/91/591161791.db2.gz NEBQEWJHJPMGKN-VAWSOJLPSA-N 0 0 219.284 2.449 10 0 BEAERN CCC=C(C)C(=O)Nc1cc(CC)[nH]n1 ZINC000129307401 591276625 /nfs/dbraw/zinc/27/66/25/591276625.db2.gz FLBNKHZREOAELD-VURMDHGXSA-N 0 0 207.277 2.267 10 0 BEAERN CO[C@@H](c1noc([C@H](N)CC(C)C)n1)C1CC1 ZINC000130209736 591449044 /nfs/dbraw/zinc/44/90/44/591449044.db2.gz MPYFMEDVWXKTEC-NXEZZACHSA-N 0 0 239.319 2.213 10 0 BEAERN C[C@@H](O)c1ccc(N(C)Cc2ccoc2)nc1 ZINC000213243033 591457444 /nfs/dbraw/zinc/45/74/44/591457444.db2.gz HDOMCCBGIILPPO-SNVBAGLBSA-N 0 0 232.283 2.364 10 0 BEAERN CC(C)(C)SCC(=O)NC1(C)CCOCC1 ZINC000130460527 591473499 /nfs/dbraw/zinc/47/34/99/591473499.db2.gz BQKVBSBNUQOSNH-UHFFFAOYSA-N 0 0 245.388 2.203 10 0 BEAERN CCO[C@H]1C[C@@H](OC(=O)C2CC2)C12CCC2 ZINC000130619527 591489048 /nfs/dbraw/zinc/48/90/48/591489048.db2.gz CUIKJZRMLCWBIO-WDEREUQCSA-N 0 0 224.300 2.287 10 0 BEAERN CCc1ccccc1OC(=O)C[C@H]1COC(=O)C1 ZINC000130753794 591514779 /nfs/dbraw/zinc/51/47/79/591514779.db2.gz GFQUPGYRZHMIOI-JTQLQIEISA-N 0 0 248.278 2.108 10 0 BEAERN CCCOC(=O)[C@@H](C)SC1CCOCC1 ZINC000130990079 591539806 /nfs/dbraw/zinc/53/98/06/591539806.db2.gz VTLXHQSXQWTMKB-SECBINFHSA-N 0 0 232.345 2.240 10 0 BEAERN Cc1cnn(-c2ccc(C)cc2C=O)c1 ZINC000214235155 591540948 /nfs/dbraw/zinc/54/09/48/591540948.db2.gz QNWNMQLGCUMQCQ-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN CC(C)(C)C(=O)NCCC(=O)OC1(C)CCC1 ZINC000131093679 591552725 /nfs/dbraw/zinc/55/27/25/591552725.db2.gz WJHMYJTYNVJBOJ-UHFFFAOYSA-N 0 0 241.331 2.025 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(F)n2)C1 ZINC000131304552 591588541 /nfs/dbraw/zinc/58/85/41/591588541.db2.gz XOZNRZZGYXWVFK-NXEZZACHSA-N 0 0 236.290 2.481 10 0 BEAERN CSCCCC(=O)O[C@H](C)c1nnc(C)o1 ZINC000131347678 591599073 /nfs/dbraw/zinc/59/90/73/591599073.db2.gz CHOOXYZVSBZCRE-SSDOTTSWSA-N 0 0 244.316 2.125 10 0 BEAERN COC[C@@H](OC(=O)[C@@H](C)C1CC1)C1CC1 ZINC000131798951 591659519 /nfs/dbraw/zinc/65/95/19/591659519.db2.gz MTTXSSLMBKPBJG-GZMMTYOYSA-N 0 0 212.289 2.001 10 0 BEAERN COC[C@H](OC(=O)c1ccccc1F)C1CC1 ZINC000131915115 591677231 /nfs/dbraw/zinc/67/72/31/591677231.db2.gz OGMFCJOSSDMKRI-LBPRGKRZSA-N 0 0 238.258 2.408 10 0 BEAERN Cc1occc1COC(=O)[C@@H]1CCCCO1 ZINC000131965771 591680371 /nfs/dbraw/zinc/68/03/71/591680371.db2.gz CEIXTGQKTOBQQB-NSHDSACASA-N 0 0 224.256 2.200 10 0 BEAERN CC(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000132227763 591694687 /nfs/dbraw/zinc/69/46/87/591694687.db2.gz DBCQFPQJAFOYQD-SSDOTTSWSA-N 0 0 204.229 2.187 10 0 BEAERN CCCCC[C@@H](C)NC(=O)c1ncccc1N ZINC000132343119 591702195 /nfs/dbraw/zinc/70/21/95/591702195.db2.gz PMAXOFPTLSEILH-SNVBAGLBSA-N 0 0 235.331 2.362 10 0 BEAERN CC[C@@H](C)C(=O)O[C@@H](COC)C1CC1 ZINC000132376017 591705125 /nfs/dbraw/zinc/70/51/25/591705125.db2.gz CCOUPJOYJLEYFN-SCZZXKLOSA-N 0 0 200.278 2.001 10 0 BEAERN COC[C@@H](OC(=O)c1ccccc1)C1CC1 ZINC000132428823 591708146 /nfs/dbraw/zinc/70/81/46/591708146.db2.gz LZNOPVRMQWZZLV-GFCCVEGCSA-N 0 0 220.268 2.268 10 0 BEAERN OCCC1(CNc2cncc(Cl)n2)CCC1 ZINC000132667333 591728519 /nfs/dbraw/zinc/72/85/19/591728519.db2.gz XMEVWNDPGRSYAJ-UHFFFAOYSA-N 0 0 241.722 2.095 10 0 BEAERN CCCCCC(=O)OC[C@H]1COC(C)(C)O1 ZINC000132917444 591747512 /nfs/dbraw/zinc/74/75/12/591747512.db2.gz KFKXVIFHVSPPFG-JTQLQIEISA-N 0 0 230.304 2.261 10 0 BEAERN CCc1csc(NCC[C@@H](C)[S@@](C)=O)n1 ZINC000133104969 591765223 /nfs/dbraw/zinc/76/52/23/591765223.db2.gz FRNVPWGKFLHZDT-GLEZIHRCSA-N 0 0 246.401 2.275 10 0 BEAERN CCCCCCC(=O)NCC1(CCO)CC1 ZINC000133194409 591777130 /nfs/dbraw/zinc/77/71/30/591777130.db2.gz SFSYHTWJUHFTNY-UHFFFAOYSA-N 0 0 227.348 2.236 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Cl)n2)O1 ZINC000133290891 591784630 /nfs/dbraw/zinc/78/46/30/591784630.db2.gz WNXKFKLNEWKJDB-SFYZADRCSA-N 0 0 240.690 2.241 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)n2)O1 ZINC000133291104 591784685 /nfs/dbraw/zinc/78/46/85/591784685.db2.gz WNXKFKLNEWKJDB-YUMQZZPRSA-N 0 0 240.690 2.241 10 0 BEAERN O=C(N[C@@H]1COc2ccccc21)N1CCCCC1 ZINC000133648487 591845386 /nfs/dbraw/zinc/84/53/86/591845386.db2.gz WFHVHVUSVZKMKO-GFCCVEGCSA-N 0 0 246.310 2.316 10 0 BEAERN Cc1nnc(CNCc2cccc(F)c2)s1 ZINC000134664534 591946479 /nfs/dbraw/zinc/94/64/79/591946479.db2.gz QBLOULFSLXWJAY-UHFFFAOYSA-N 0 0 237.303 2.275 10 0 BEAERN Cc1c[nH]nc1NC(=O)COc1ccccc1C ZINC000134677542 591946443 /nfs/dbraw/zinc/94/64/43/591946443.db2.gz AFTIOLZUYCWFEF-UHFFFAOYSA-N 0 0 245.282 2.044 10 0 BEAERN Cc1c[nH]nc1NC(=O)C1(c2ccccc2)CC1 ZINC000134682610 591946863 /nfs/dbraw/zinc/94/68/63/591946863.db2.gz JPVFGGYBGIQZSN-UHFFFAOYSA-N 0 0 241.294 2.388 10 0 BEAERN CC[S@@](=O)CCNc1ccc2ccccc2n1 ZINC000134711920 591947483 /nfs/dbraw/zinc/94/74/83/591947483.db2.gz DCASGTLCNOKAJM-KRWDZBQOSA-N 0 0 248.351 2.415 10 0 BEAERN Cc1c[nH]nc1NC(=O)Cc1ccccc1C ZINC000134687323 591948074 /nfs/dbraw/zinc/94/80/74/591948074.db2.gz MYLLDCWWCSHIGL-UHFFFAOYSA-N 0 0 229.283 2.208 10 0 BEAERN Cc1ccc(C(=O)Nc2ccc(F)nc2)c(C)n1 ZINC000135010770 591972370 /nfs/dbraw/zinc/97/23/70/591972370.db2.gz VIQQIDQSOUAFSA-UHFFFAOYSA-N 0 0 245.257 2.485 10 0 BEAERN C[C@@H](Sc1ccccn1)C(=O)OCCF ZINC000135191256 591995280 /nfs/dbraw/zinc/99/52/80/591995280.db2.gz HYZQAODMJQUSAH-MRVPVSSYSA-N 0 0 229.276 2.075 10 0 BEAERN CCSCCSCCSCCO ZINC000216001849 592004230 /nfs/dbraw/zinc/00/42/30/592004230.db2.gz OZNMPEXPBKBLPR-UHFFFAOYSA-N 0 0 226.432 2.198 10 0 BEAERN CCNC(=O)CCCC(=O)OC(CC)CC ZINC000135343181 592008138 /nfs/dbraw/zinc/00/81/38/592008138.db2.gz FVUXHAWVNBVZIB-UHFFFAOYSA-N 0 0 229.320 2.025 10 0 BEAERN CCN(C(=S)NC)c1ccc(C)cc1 ZINC000136304393 592105770 /nfs/dbraw/zinc/10/57/70/592105770.db2.gz ZFUCDMLAJHPLRX-UHFFFAOYSA-N 0 0 208.330 2.326 10 0 BEAERN CCOC(=O)/C=C(/C)c1ccc(N)cc1 ZINC000140756639 592481660 /nfs/dbraw/zinc/48/16/60/592481660.db2.gz JQGYETQGPZUOIX-HJWRWDBZSA-N 0 0 205.257 2.235 10 0 BEAERN CCN[C@H](C)c1nc([C@@H]2CC2(C)C)no1 ZINC000300343230 592507499 /nfs/dbraw/zinc/50/74/99/592507499.db2.gz BZOHIEKMUFILBX-SFYZADRCSA-N 0 0 209.293 2.254 10 0 BEAERN CC(C)=CC(=O)N[C@H](C)c1ncc(C)o1 ZINC000300789374 592519974 /nfs/dbraw/zinc/51/99/74/592519974.db2.gz ZLPTWBBSKAMCKX-SECBINFHSA-N 0 0 208.261 2.126 10 0 BEAERN CC(C)c1nn(C)cc1-c1cncc(N)c1 ZINC000301008612 592527427 /nfs/dbraw/zinc/52/74/27/592527427.db2.gz XEZLPFHZEAWFRQ-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN O=C(/C=C/c1cccnc1)OCC(F)(F)F ZINC000123009159 592713690 /nfs/dbraw/zinc/71/36/90/592713690.db2.gz NRDCRHJGGMWCRD-ONEGZZNKSA-N 0 0 231.173 2.200 10 0 BEAERN CC[C@@H]1CC[C@@H](C)N1c1ncc(C=O)cn1 ZINC000126430363 592724670 /nfs/dbraw/zinc/72/46/70/592724670.db2.gz JASHVYYOLUMONJ-MWLCHTKSSA-N 0 0 219.288 2.056 10 0 BEAERN CC(C)[C@H](O)Cc1nc(C2(C)CCCC2)no1 ZINC000312931177 634415005 /nfs/dbraw/zinc/41/50/05/634415005.db2.gz QJPBVVQONKHBEH-SNVBAGLBSA-N 0 0 238.331 2.461 10 0 BEAERN CC[C@H](CC#N)OC(=O)[C@H]1CCCO[C@H]1C ZINC000253353508 635127278 /nfs/dbraw/zinc/12/72/78/635127278.db2.gz ZHHLHGPZNZTVSD-AXFHLTTASA-N 0 0 225.288 2.037 10 0 BEAERN CC[C@@H]1CN(c2ccc(C=O)o2)C[C@H](CC)O1 ZINC000398649243 634612525 /nfs/dbraw/zinc/61/25/25/634612525.db2.gz YBKAMQMFSGNUJY-PHIMTYICSA-N 0 0 237.299 2.486 10 0 BEAERN CC[C@@H]1CN(CCC(=O)C(C)(C)C)CCO1 ZINC000054026447 635326003 /nfs/dbraw/zinc/32/60/03/635326003.db2.gz FEAQUDJIJCJRJL-LLVKDONJSA-N 0 0 227.348 2.103 10 0 BEAERN O=C(NCCCC1CCCC1)n1ccnc1 ZINC000225397454 635406166 /nfs/dbraw/zinc/40/61/66/635406166.db2.gz AYWJGGUGZVOWMF-UHFFFAOYSA-N 0 0 221.304 2.411 10 0 BEAERN Cc1c(CNc2ccc(N)c(C)c2)cnn1C ZINC000226262725 635430266 /nfs/dbraw/zinc/43/02/66/635430266.db2.gz KJYYLYLFSWDRRU-UHFFFAOYSA-N 0 0 230.315 2.231 10 0 BEAERN CCC1(CNC(=O)n2ccnc2)CCCC1 ZINC000232984633 635521759 /nfs/dbraw/zinc/52/17/59/635521759.db2.gz UKIBROWVGMDXTJ-UHFFFAOYSA-N 0 0 221.304 2.411 10 0 BEAERN Cc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)[O-])cc1C ZINC000251147760 635527519 /nfs/dbraw/zinc/52/75/19/635527519.db2.gz BAPLKOOJUQCAQN-QWHCGFSZSA-N 0 0 233.311 2.033 10 0 BEAERN O=C(n1ccnc1)N1CCC2(CCC2)CC1 ZINC000308655649 631349530 /nfs/dbraw/zinc/34/95/30/631349530.db2.gz NZZSEKQYCLBOLK-UHFFFAOYSA-N 0 0 219.288 2.117 10 0 BEAERN Cc1nnc(-c2cc(N)ccc2Cl)n1C ZINC000042013744 631352116 /nfs/dbraw/zinc/35/21/16/631352116.db2.gz SGIOQROPFUFOAE-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000082609550 631408183 /nfs/dbraw/zinc/40/81/83/631408183.db2.gz MCGAALUWSQERFI-IUCAKERBSA-N 0 0 215.293 2.079 10 0 BEAERN C[C@@H]1CC(NC(=O)n2ccnc2)C[C@@H](C)C1 ZINC000082835340 631414816 /nfs/dbraw/zinc/41/48/16/631414816.db2.gz APZLJHRYPZHHCL-UWVGGRQHSA-N 0 0 221.304 2.266 10 0 BEAERN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cn1)C1CCCC1 ZINC000094761090 631580167 /nfs/dbraw/zinc/58/01/67/631580167.db2.gz XORSORBDANMWRK-JTQLQIEISA-N 0 0 248.326 2.448 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000308888386 631714715 /nfs/dbraw/zinc/71/47/15/631714715.db2.gz VDFSAQOEJQJEAW-PSASIEDQSA-N 0 0 226.707 2.450 10 0 BEAERN CC[C@@H](NC)c1nc(CC2CCC2)no1 ZINC000308938741 631743795 /nfs/dbraw/zinc/74/37/95/631743795.db2.gz DLRWXEOOCQOLPC-SECBINFHSA-N 0 0 209.293 2.083 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1-c1ccco1 ZINC000044419203 631816648 /nfs/dbraw/zinc/81/66/48/631816648.db2.gz GYXAFAWLUJARRL-UHFFFAOYSA-N 0 0 205.261 2.450 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1nc2ccccc2s1 ZINC000309040441 631823983 /nfs/dbraw/zinc/82/39/83/631823983.db2.gz KWYHIASDJKDIIN-HTQZYQBOSA-N 0 0 222.313 2.478 10 0 BEAERN CC/C=C(/C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000255509445 631894690 /nfs/dbraw/zinc/89/46/90/631894690.db2.gz AUEAKMIGPVGWPQ-XFDQCWFDSA-N 0 0 212.289 2.311 10 0 BEAERN CCOC(=O)C=C1Cc2ccccc2C1 ZINC000039117964 632023168 /nfs/dbraw/zinc/02/31/68/632023168.db2.gz GSPLCDIPGKVGFX-UHFFFAOYSA-N 0 0 202.253 2.275 10 0 BEAERN CC(C)c1cnc(N[C@@H](C)[C@H](C)O)s1 ZINC000307207876 632397002 /nfs/dbraw/zinc/39/70/02/632397002.db2.gz NJSFHHNURYTQJO-YUMQZZPRSA-N 0 0 214.334 2.448 10 0 BEAERN COCC[C@@H](N)c1nc(C2CCCCC2)no1 ZINC000052785399 632487469 /nfs/dbraw/zinc/48/74/69/632487469.db2.gz CUUDIHBLGZMHFK-SNVBAGLBSA-N 0 0 239.319 2.154 10 0 BEAERN C[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)CC1 ZINC000235298287 632636437 /nfs/dbraw/zinc/63/64/37/632636437.db2.gz VHZCDVXFCXVXDD-GHMZBOCLSA-N 0 0 221.304 2.410 10 0 BEAERN CC[C@@H](Br)COC(=O)C(C)C ZINC000149939933 632739121 /nfs/dbraw/zinc/73/91/21/632739121.db2.gz VFXJEXQKPIZMQK-SSDOTTSWSA-N 0 0 223.110 2.359 10 0 BEAERN C[C@H]1CCC[C@H](NC(=O)n2ccnc2)CC1 ZINC000235711295 632819110 /nfs/dbraw/zinc/81/91/10/632819110.db2.gz VHZCDVXFCXVXDD-QWRGUYRKSA-N 0 0 221.304 2.410 10 0 BEAERN Cc1nccn1-c1cccc(F)c1C=O ZINC000235806859 632833230 /nfs/dbraw/zinc/83/32/30/632833230.db2.gz OEXBHRMEIJJCRJ-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN Cc1ncc(COC(=O)[C@H]2CC[C@@H](C)O2)s1 ZINC000177707050 632866352 /nfs/dbraw/zinc/86/63/52/632866352.db2.gz UHRFELXPEHMAHA-GMSGAONNSA-N 0 0 241.312 2.062 10 0 BEAERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000075244791 632871891 /nfs/dbraw/zinc/87/18/91/632871891.db2.gz UJDPADYLZZKMRV-RKDXNWHRSA-N 0 0 215.293 2.031 10 0 BEAERN C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC000163016062 633044405 /nfs/dbraw/zinc/04/44/05/633044405.db2.gz UPIOHOSJESVVDJ-ONGXEEELSA-N 0 0 249.310 2.352 10 0 BEAERN C[C@H]1CN(C(=O)C2CC2)CCN1c1ccccc1 ZINC000062690690 633046077 /nfs/dbraw/zinc/04/60/77/633046077.db2.gz UPZFSBCKJHCXTE-LBPRGKRZSA-N 0 0 244.338 2.134 10 0 BEAERN O=C(Oc1ccc2c(c1)CCC2)C1CC1 ZINC000126885467 636073475 /nfs/dbraw/zinc/07/34/75/636073475.db2.gz HUMAERLQKFFIED-UHFFFAOYSA-N 0 0 202.253 2.491 10 0 BEAERN CCOC(=O)[C@]1(CC)OC12CC(C)(C)C2 ZINC000395181859 633831812 /nfs/dbraw/zinc/83/18/12/633831812.db2.gz NVJRNKZIZONDRI-LBPRGKRZSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@H](C(=O)C(F)F)C(=O)C(C)(C)C ZINC000395309193 633841825 /nfs/dbraw/zinc/84/18/25/633841825.db2.gz ZCBMNCLHPHUZDH-LURJTMIESA-N 0 0 206.232 2.462 10 0 BEAERN C=COCCOC(=O)Cc1cccc(F)c1 ZINC000183750579 633988562 /nfs/dbraw/zinc/98/85/62/633988562.db2.gz CLYMXJPLUZKRKQ-UHFFFAOYSA-N 0 0 224.231 2.072 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000309977608 634012997 /nfs/dbraw/zinc/01/29/97/634012997.db2.gz UKXBTDBNJTUPLA-RNFRBKRXSA-N 0 0 234.221 2.282 10 0 BEAERN CC[C@@](C)(CCO)Nc1ncc(SC)cn1 ZINC000310034937 634064585 /nfs/dbraw/zinc/06/45/85/634064585.db2.gz STKFVWQIUVNOAA-NSHDSACASA-N 0 0 241.360 2.162 10 0 BEAERN CCCCOC(=O)Cc1cn2ccccc2n1 ZINC000112734472 634126089 /nfs/dbraw/zinc/12/60/89/634126089.db2.gz SEBYKWUBJGWUMY-UHFFFAOYSA-N 0 0 232.283 2.220 10 0 BEAERN CCOC[C@H](C)OC(=O)CC[C@H]1CCCCO1 ZINC000190784155 634193354 /nfs/dbraw/zinc/19/33/54/634193354.db2.gz GWWVSFLBJPNYTQ-NWDGAFQWSA-N 0 0 244.331 2.304 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccc(COC)o1 ZINC000190773545 634194483 /nfs/dbraw/zinc/19/44/83/634194483.db2.gz QZSVYLGYKQVSDQ-VIFPVBQESA-N 0 0 242.271 2.008 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCC(C)(C)CC#N ZINC000192294605 634231942 /nfs/dbraw/zinc/23/19/42/634231942.db2.gz IDKFXCFJTWDIQX-WDEREUQCSA-N 0 0 239.315 2.285 10 0 BEAERN O[C@H]1CCN(CC2CCOCC2)c2ccccc21 ZINC000123478381 634241223 /nfs/dbraw/zinc/24/12/23/634241223.db2.gz OVEVFYOYOGKJCO-HNNXBMFYSA-N 0 0 247.338 2.357 10 0 BEAERN Cc1cc(CN2CC[C@H](O)c3ccccc32)on1 ZINC000123515048 634243079 /nfs/dbraw/zinc/24/30/79/634243079.db2.gz RLYYBWQSYCGCHD-AWEZNQCLSA-N 0 0 244.294 2.427 10 0 BEAERN O[C@@H]1CCN(CC[C@@H]2CCCO2)c2ccccc21 ZINC000123588965 634247736 /nfs/dbraw/zinc/24/77/36/634247736.db2.gz UNVMFUHMZBLSEC-SWLSCSKDSA-N 0 0 247.338 2.499 10 0 BEAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(F)F ZINC000220478863 634348654 /nfs/dbraw/zinc/34/86/54/634348654.db2.gz JSEMSDXCLHDOBW-PHDIDXHHSA-N 0 0 245.191 2.489 10 0 BEAERN CCC[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000216579835 635211209 /nfs/dbraw/zinc/21/12/09/635211209.db2.gz LEEJRCYQUGSFIN-FRRDWIJNSA-N 0 0 233.311 2.385 10 0 BEAERN CCCCOC(=O)CCCNC(=O)C(C)(C)C ZINC000106149609 635262707 /nfs/dbraw/zinc/26/27/07/635262707.db2.gz SXDUTFTUXCSZJO-UHFFFAOYSA-N 0 0 243.347 2.272 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000336778336 635287220 /nfs/dbraw/zinc/28/72/20/635287220.db2.gz LBZDITPHTLPWPR-BQBZGAKWSA-N 0 0 234.221 2.282 10 0 BEAERN C[C@@H](OC(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000079178059 636256041 /nfs/dbraw/zinc/25/60/41/636256041.db2.gz RCVHJGFKPPSVPX-NXEZZACHSA-N 0 0 238.258 2.408 10 0 BEAERN C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(=O)[O-])co2)C1 ZINC000128494655 637079563 /nfs/dbraw/zinc/07/95/63/637079563.db2.gz QDOOJFMSOAZNKH-WCBMZHEXSA-N 0 0 223.272 2.256 10 0 BEAERN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)[C@H](C)O ZINC000346370940 637093088 /nfs/dbraw/zinc/09/30/88/637093088.db2.gz GGYQYEZIBXWFML-MNOVXSKESA-N 0 0 247.338 2.065 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)[C@@H]1CCCCC1(C)C ZINC000346370905 637093144 /nfs/dbraw/zinc/09/31/44/637093144.db2.gz GCYLAEYUZPNLGG-DCAQKATOSA-N 0 0 227.348 2.088 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC000346434294 637139986 /nfs/dbraw/zinc/13/99/86/637139986.db2.gz UWQUCQXYACHZIP-UWVGGRQHSA-N 0 0 239.359 2.088 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1cccc2ccccc21 ZINC000346508045 637158276 /nfs/dbraw/zinc/15/82/76/637158276.db2.gz NSTZNIKJBJOPPG-QWRGUYRKSA-N 0 0 243.306 2.339 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)O)c(C)c1 ZINC000346544490 637165643 /nfs/dbraw/zinc/16/56/43/637165643.db2.gz ZVWHDRPUQGUFMV-VXGBXAGGSA-N 0 0 235.327 2.111 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)O)c(C)c1 ZINC000346544489 637165754 /nfs/dbraw/zinc/16/57/54/637165754.db2.gz ZVWHDRPUQGUFMV-RYUDHWBXSA-N 0 0 235.327 2.111 10 0 BEAERN Cn1ncc(-c2c(F)cccc2Cl)c1N ZINC000042413636 637230593 /nfs/dbraw/zinc/23/05/93/637230593.db2.gz BGDPAUFCFVNUCX-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccsc1 ZINC000174642115 639144752 /nfs/dbraw/zinc/14/47/52/639144752.db2.gz RIZFEJDOKHNSCN-MRVPVSSYSA-N 0 0 214.286 2.074 10 0 BEAERN CCCC(=O)O[C@@H](C)C1CCOCC1 ZINC000151488315 640397486 /nfs/dbraw/zinc/39/74/86/640397486.db2.gz CVGSXLZWVBTCPC-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN CO[C@@H](C)COc1cccc([C@H](C)O)c1 ZINC000164040994 640434323 /nfs/dbraw/zinc/43/43/23/640434323.db2.gz UECOXHUZYDZRIO-UWVGGRQHSA-N 0 0 210.273 2.154 10 0 BEAERN COC(=O)N[C@]12CCC[C@@]1(OC)CC=CC2 ZINC000222040084 640448143 /nfs/dbraw/zinc/44/81/43/640448143.db2.gz OREFUGZKGUXKEI-NEPJUHHUSA-N 0 0 225.288 2.000 10 0 BEAERN CCc1ccc([C@H](C)NC(=O)NOC)cc1 ZINC000045037464 640497201 /nfs/dbraw/zinc/49/72/01/640497201.db2.gz KZJYLYBLVOILGA-VIFPVBQESA-N 0 0 222.288 2.171 10 0 BEAERN O=C(/C=C\c1ccccc1)NCc1cscn1 ZINC000056665284 640562283 /nfs/dbraw/zinc/56/22/83/640562283.db2.gz VYIQOWBTXRYADX-SREVYHEPSA-N 0 0 244.319 2.473 10 0 BEAERN CCC[C@@H]1CN(C(=O)N2CCCCC2)CCO1 ZINC000157101726 640571758 /nfs/dbraw/zinc/57/17/58/640571758.db2.gz QRZJTJBWTPFXNW-GFCCVEGCSA-N 0 0 240.347 2.093 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)c2ccoc2)C1 ZINC000057792908 640636772 /nfs/dbraw/zinc/63/67/72/640636772.db2.gz VIPQDIBEIKLUGF-QWRGUYRKSA-N 0 0 224.256 2.394 10 0 BEAERN Cc1nc(-c2ccc(Cl)c(N)c2)n(C)n1 ZINC000054499300 640706530 /nfs/dbraw/zinc/70/65/30/640706530.db2.gz JOEVKVAFTUVFNY-UHFFFAOYSA-N 0 0 222.679 2.026 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)N2CCCCC2)o1 ZINC000226554900 640773300 /nfs/dbraw/zinc/77/33/00/640773300.db2.gz IRVRRYKRDMNAHB-JTQLQIEISA-N 0 0 237.303 2.240 10 0 BEAERN CCc1c(N)n(C)nc1[C@H]1CCC[C@@H]1C ZINC000226596701 640775335 /nfs/dbraw/zinc/77/53/35/640775335.db2.gz UPLUBDGRMMIREZ-WPRPVWTQSA-N 0 0 207.321 2.468 10 0 BEAERN CO[C@@H](c1noc(-c2ccc(N)cc2)n1)C1CC1 ZINC000227333926 640828034 /nfs/dbraw/zinc/82/80/34/640828034.db2.gz JZZKNUKHMJTDDM-LLVKDONJSA-N 0 0 245.282 2.416 10 0 BEAERN CCCc1nc2ccc(C)cn2c1C=O ZINC000228027910 640856932 /nfs/dbraw/zinc/85/69/32/640856932.db2.gz KCRBNQXNABZEKD-UHFFFAOYSA-N 0 0 202.257 2.408 10 0 BEAERN CC(=O)c1ccnc(-n2cc(Cl)c(C)n2)c1 ZINC000087400547 640884404 /nfs/dbraw/zinc/88/44/04/640884404.db2.gz KVYJCHGIMTWSOF-UHFFFAOYSA-N 0 0 235.674 2.432 10 0 BEAERN C[C@@H]1CSCCCN1c1ccc(C=O)o1 ZINC000675064099 640961174 /nfs/dbraw/zinc/96/11/74/640961174.db2.gz VKBRFPUUXUMVQO-SECBINFHSA-N 0 0 225.313 2.424 10 0 BEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Oc1cccc(C)c1C ZINC000171180392 640962978 /nfs/dbraw/zinc/96/29/78/640962978.db2.gz XPCXXFARWRSDDE-GHMZBOCLSA-N 0 0 248.278 2.018 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Oc1ccc(C)cc1C ZINC000171184163 640964163 /nfs/dbraw/zinc/96/41/63/640964163.db2.gz NGDGFWDCUWUFNW-QWRGUYRKSA-N 0 0 248.278 2.018 10 0 BEAERN CCC[C@H](N)c1nc([C@@H]2CCCS2)no1 ZINC000087699998 640977146 /nfs/dbraw/zinc/97/71/46/640977146.db2.gz ALODQTHEEJEGGQ-YUMQZZPRSA-N 0 0 227.333 2.438 10 0 BEAERN CCC[C@H](N)c1nc([C@H]2CCCS2)no1 ZINC000087700002 640977924 /nfs/dbraw/zinc/97/79/24/640977924.db2.gz ALODQTHEEJEGGQ-JGVFFNPUSA-N 0 0 227.333 2.438 10 0 BEAERN Cc1cccc2c1CCN(C(=O)N[C@@H]1C[C@@H]1C)C2 ZINC000171595220 640994142 /nfs/dbraw/zinc/99/41/42/640994142.db2.gz MCRVWGCRJURUOZ-SMDDNHRTSA-N 0 0 244.338 2.471 10 0 BEAERN CON(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171735158 641008179 /nfs/dbraw/zinc/00/81/79/641008179.db2.gz ZPXBQMMGLNQTKF-IUCAKERBSA-N 0 0 241.237 2.088 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NOCC(F)(F)F ZINC000230174983 641032531 /nfs/dbraw/zinc/03/25/31/641032531.db2.gz ABVGDELWWYVVBB-RNFRBKRXSA-N 0 0 225.210 2.033 10 0 BEAERN COC1CC(Nc2cnc3ccccc3n2)C1 ZINC000230595348 641070031 /nfs/dbraw/zinc/07/00/31/641070031.db2.gz YFHOIMDIBSTXDK-UHFFFAOYSA-N 0 0 229.283 2.219 10 0 BEAERN COC1CC(Nc2nccc(C(F)(F)F)n2)C1 ZINC000230594772 641070160 /nfs/dbraw/zinc/07/01/60/641070160.db2.gz PUQACTPRCPUNNB-UHFFFAOYSA-N 0 0 247.220 2.085 10 0 BEAERN COC1CC(Nc2ncnc3sccc32)C1 ZINC000230598402 641070622 /nfs/dbraw/zinc/07/06/22/641070622.db2.gz KAPZBLSUUASGDN-UHFFFAOYSA-N 0 0 235.312 2.281 10 0 BEAERN COC1CC(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000230629426 641074546 /nfs/dbraw/zinc/07/45/46/641074546.db2.gz WQESDEAAJKTWLJ-UHFFFAOYSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1CN(C(=O)C2CC2)CCN1c1ccccc1 ZINC000062690689 641076279 /nfs/dbraw/zinc/07/62/79/641076279.db2.gz UPZFSBCKJHCXTE-GFCCVEGCSA-N 0 0 244.338 2.134 10 0 BEAERN Cc1cnc([C@H](C)NC[C@@H](O)c2ccccc2)o1 ZINC000230642630 641076491 /nfs/dbraw/zinc/07/64/91/641076491.db2.gz NOIJKMFYYKJXSD-WCQYABFASA-N 0 0 246.310 2.367 10 0 BEAERN Cc1cnn(-c2c(F)cc(C=O)cc2F)c1 ZINC000062708358 641077631 /nfs/dbraw/zinc/07/76/31/641077631.db2.gz QUEKNLFDWLCZHC-UHFFFAOYSA-N 0 0 222.194 2.271 10 0 BEAERN CCc1ccc([C@H](O)c2cn[nH]c2)cc1 ZINC000062778544 641088354 /nfs/dbraw/zinc/08/83/54/641088354.db2.gz YLOXZYOFPCLYOZ-LBPRGKRZSA-N 0 0 202.257 2.054 10 0 BEAERN Cc1nccn1-c1ccc(C=O)c(C)c1 ZINC000050575436 641184569 /nfs/dbraw/zinc/18/45/69/641184569.db2.gz JRQHAZDYFCEHMS-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN C[C@@H](C(N)=O)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062017011 641193855 /nfs/dbraw/zinc/19/38/55/641193855.db2.gz LTXQPVHWEQKVQY-IUCAKERBSA-N 0 0 240.734 2.207 10 0 BEAERN O[C@@]12CCCC[C@@H]1CN(c1nccs1)CC2 ZINC000088023178 641254846 /nfs/dbraw/zinc/25/48/46/641254846.db2.gz ZRFNDRVLTMWDPI-ZYHUDNBSSA-N 0 0 238.356 2.275 10 0 BEAERN C[C@@H]1CN(Cc2ccc(O)c(F)c2)C[C@@H](C)O1 ZINC000232449581 641272939 /nfs/dbraw/zinc/27/29/39/641272939.db2.gz VYNNIALZARUOMR-NXEZZACHSA-N 0 0 239.290 2.141 10 0 BEAERN CC(C)[C@@H](C)[NH2+]Cc1ccoc1C(=O)[O-] ZINC000232423104 641276078 /nfs/dbraw/zinc/27/60/78/641276078.db2.gz WMLFMRNKDMOIRU-MRVPVSSYSA-N 0 0 211.261 2.112 10 0 BEAERN CC(C)[C@H](C)[NH2+]Cc1ccoc1C(=O)[O-] ZINC000232423105 641276959 /nfs/dbraw/zinc/27/69/59/641276959.db2.gz WMLFMRNKDMOIRU-QMMMGPOBSA-N 0 0 211.261 2.112 10 0 BEAERN C=C[C@@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000187522238 641302805 /nfs/dbraw/zinc/30/28/05/641302805.db2.gz DCKFSPCQFXLHOR-KPPDAEKUSA-N 0 0 240.299 2.084 10 0 BEAERN CC(=O)c1cccc(F)c1-n1cccn1 ZINC000232593431 641303450 /nfs/dbraw/zinc/30/34/50/641303450.db2.gz GDHYCMRPCVDOLY-UHFFFAOYSA-N 0 0 204.204 2.214 10 0 BEAERN C=C[C@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000187522218 641303794 /nfs/dbraw/zinc/30/37/94/641303794.db2.gz DCKFSPCQFXLHOR-WHXUTIOJSA-N 0 0 240.299 2.084 10 0 BEAERN Cc1ccc(C(=O)N(C)C)cc1OC(=O)C1CC1 ZINC000130203966 641556696 /nfs/dbraw/zinc/55/66/96/641556696.db2.gz TVAKSTRFLJARFH-UHFFFAOYSA-N 0 0 247.294 2.012 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)OCc2ccccc2)O1 ZINC000156196765 641599025 /nfs/dbraw/zinc/59/90/25/641599025.db2.gz IASCNVXDJWCXHI-WCQYABFASA-N 0 0 249.310 2.144 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCCCC(F)(F)F)O1 ZINC000157630376 641621353 /nfs/dbraw/zinc/62/13/53/641621353.db2.gz KUUYPJFNTLJGLT-YUMQZZPRSA-N 0 0 240.221 2.440 10 0 BEAERN C[C@@H]1OCC[C@@H]1OC(=O)Cc1cccc(F)c1 ZINC000187828592 641727430 /nfs/dbraw/zinc/72/74/30/641727430.db2.gz DVQZOABUZHLOET-CABZTGNLSA-N 0 0 238.258 2.089 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2C[C@H]2C)s1 ZINC000075525188 641760711 /nfs/dbraw/zinc/76/07/11/641760711.db2.gz QOYDKLVOUVHTCW-APPZFPTMSA-N 0 0 209.314 2.449 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CSC(C)(C)C ZINC000075530815 641760812 /nfs/dbraw/zinc/76/08/12/641760812.db2.gz JZGRFYJFWJXUCJ-YUMQZZPRSA-N 0 0 201.335 2.043 10 0 BEAERN COC(=O)C[C@H](C)C(=O)Oc1ccc(C)cc1 ZINC000032302076 641802768 /nfs/dbraw/zinc/80/27/68/641802768.db2.gz AJCHPOJTUPLUPB-JTQLQIEISA-N 0 0 236.267 2.100 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OC[C@@H]2CCC(C)(C)O2)O1 ZINC000190605832 641874698 /nfs/dbraw/zinc/87/46/98/641874698.db2.gz AMYDXUOSQNYQCV-VWYCJHECSA-N 0 0 242.315 2.055 10 0 BEAERN CC(C)COCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000191463668 641922853 /nfs/dbraw/zinc/92/28/53/641922853.db2.gz XMYDHMNTRQWPDS-RYUDHWBXSA-N 0 0 244.331 2.017 10 0 BEAERN COC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000078806008 641956643 /nfs/dbraw/zinc/95/66/43/641956643.db2.gz NDACBWZNPPVOJB-QMMMGPOBSA-N 0 0 245.319 2.099 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCCC(F)(F)F ZINC000192106002 641961582 /nfs/dbraw/zinc/96/15/82/641961582.db2.gz CIBCCDQAVOOJMP-YUMQZZPRSA-N 0 0 240.221 2.297 10 0 BEAERN CC(C)OCCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192109021 641963499 /nfs/dbraw/zinc/96/34/99/641963499.db2.gz ZKDQTPDPFVPUNG-NEPJUHHUSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)OCCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192109016 641963734 /nfs/dbraw/zinc/96/37/34/641963734.db2.gz ZKDQTPDPFVPUNG-NWDGAFQWSA-N 0 0 244.331 2.160 10 0 BEAERN CCCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192106855 641963931 /nfs/dbraw/zinc/96/39/31/641963931.db2.gz BLMXNORGNJECHK-UWVGGRQHSA-N 0 0 200.278 2.145 10 0 BEAERN CC1(C)C[C@@H]1c1noc(-c2ccc(N)cn2)n1 ZINC000232889069 642152668 /nfs/dbraw/zinc/15/26/68/642152668.db2.gz USCMNLAAGKNEBS-MRVPVSSYSA-N 0 0 230.271 2.227 10 0 BEAERN CCC1CCC(NC(=O)C(F)F)CC1 ZINC000232893122 642165374 /nfs/dbraw/zinc/16/53/74/642165374.db2.gz LQSHQGRZEDOSKP-UHFFFAOYSA-N 0 0 205.248 2.337 10 0 BEAERN CC1CC(C(=O)OC/C=C/Br)C1 ZINC000308086578 642364347 /nfs/dbraw/zinc/36/43/47/642364347.db2.gz OUZNBOAZIAPZEG-NSCUHMNNSA-N 0 0 233.105 2.484 10 0 BEAERN CC[C@H](C)n1c2cc(N)ccc2oc1=O ZINC000035328927 642392920 /nfs/dbraw/zinc/39/29/20/642392920.db2.gz ODZHSPHQSLNXKO-ZETCQYMHSA-N 0 0 206.245 2.148 10 0 BEAERN C[C@@H]1CCn2cc(C(F)(F)F)nc2N1 ZINC000235357980 642456308 /nfs/dbraw/zinc/45/63/08/642456308.db2.gz RCHAAZNZLKGZDI-RXMQYKEDSA-N 0 0 205.183 2.106 10 0 BEAERN CCCCOC(=O)[C@@H]1CCO[C@@H]1CC ZINC000232970541 642637859 /nfs/dbraw/zinc/63/78/59/642637859.db2.gz KQZOGKMCQXJSOB-NXEZZACHSA-N 0 0 200.278 2.145 10 0 BEAERN C[C@@H](OC(=O)Cc1cccs1)[C@@H]1CCOC1 ZINC000175256659 642667463 /nfs/dbraw/zinc/66/74/63/642667463.db2.gz LIDMTETVQPWBSE-NXEZZACHSA-N 0 0 240.324 2.259 10 0 BEAERN C[C@H](OC(=O)CSC(C)(C)C)[C@H]1CCOC1 ZINC000175287665 642669366 /nfs/dbraw/zinc/66/93/66/642669366.db2.gz VSVIUPDVZNMKOU-UWVGGRQHSA-N 0 0 246.372 2.486 10 0 BEAERN C[C@@H](OC(=O)CCC(F)(F)F)[C@@H]1CCOC1 ZINC000175284074 642669932 /nfs/dbraw/zinc/66/99/32/642669932.db2.gz LNWWJCIGPWJUNC-HTQZYQBOSA-N 0 0 240.221 2.297 10 0 BEAERN C[C@H](OC(=O)CCC(F)(F)F)[C@H]1CCOC1 ZINC000175284091 642671160 /nfs/dbraw/zinc/67/11/60/642671160.db2.gz LNWWJCIGPWJUNC-YUMQZZPRSA-N 0 0 240.221 2.297 10 0 BEAERN CC[C@@H](NC)c1nc([C@@H]2CC2(C)C)no1 ZINC000233888627 642705804 /nfs/dbraw/zinc/70/58/04/642705804.db2.gz GOCGIJHUQAFBQI-JGVFFNPUSA-N 0 0 209.293 2.254 10 0 BEAERN COc1ccc([C@@H]2CCCCC(=O)N2)cc1 ZINC000238363395 642805845 /nfs/dbraw/zinc/80/58/45/642805845.db2.gz BTMQRYRMEQTNTO-LBPRGKRZSA-N 0 0 219.284 2.427 10 0 BEAERN CON(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000180842720 642817934 /nfs/dbraw/zinc/81/79/34/642817934.db2.gz DMBIPWBYGCIFHT-YPMHNXCESA-N 0 0 249.310 2.144 10 0 BEAERN Cc1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1 ZINC000069537208 642875419 /nfs/dbraw/zinc/87/54/19/642875419.db2.gz YESXHGVLCRPTQX-KBPBESRZSA-N 0 0 249.354 2.483 10 0 BEAERN CC(C)OCCCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000181575528 642883929 /nfs/dbraw/zinc/88/39/29/642883929.db2.gz IJFXCGHGWXNBRO-NWDGAFQWSA-N 0 0 244.331 2.160 10 0 BEAERN Cc1ccc(C)c([C@@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991896 642933230 /nfs/dbraw/zinc/93/32/30/642933230.db2.gz GYHNUILEPMUMHN-STQMWFEESA-N 0 0 233.311 2.033 10 0 BEAERN CCn1ccnc1CN[C@H]1COc2ccccc21 ZINC000070528343 643034425 /nfs/dbraw/zinc/03/44/25/643034425.db2.gz BXLIOJDWEATTCV-LBPRGKRZSA-N 0 0 243.310 2.126 10 0 BEAERN CC(C)C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)[O-] ZINC000084901954 643122665 /nfs/dbraw/zinc/12/26/65/643122665.db2.gz NTAUMAQZOJSLLN-VWYCJHECSA-N 0 0 213.321 2.264 10 0 BEAERN C[C@@H](O)c1cccc(OC[C@H]2CCOC2)c1 ZINC000049689131 643184920 /nfs/dbraw/zinc/18/49/20/643184920.db2.gz UIJWJSUWOWFAKN-MNOVXSKESA-N 0 0 222.284 2.155 10 0 BEAERN CCC(C)(C)NC(=S)N[C@H]1C[C@@H]1C ZINC000306668727 643210876 /nfs/dbraw/zinc/21/08/76/643210876.db2.gz WNRUORJIQOYMBY-YUMQZZPRSA-N 0 0 200.351 2.048 10 0 BEAERN Cc1nscc1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000184570251 643218026 /nfs/dbraw/zinc/21/80/26/643218026.db2.gz OOTFMFYLIPOXAF-DTWKUNHWSA-N 0 0 241.312 2.033 10 0 BEAERN Cc1c2sc3ccccc3c2cc(=O)n1N ZINC000072240665 643228668 /nfs/dbraw/zinc/22/86/68/643228668.db2.gz GQEVQZUVMQYODK-UHFFFAOYSA-N 0 0 230.292 2.238 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCC(C)(C)CC#N)O1 ZINC000184799961 643238075 /nfs/dbraw/zinc/23/80/75/643238075.db2.gz CNLOGUADJZBFIQ-UWVGGRQHSA-N 0 0 225.288 2.037 10 0 BEAERN C[C@H]1CN(C(=O)CSC(C)(C)C)C[C@H](C)O1 ZINC000072524583 643262561 /nfs/dbraw/zinc/26/25/61/643262561.db2.gz RRAWNEGQRFDPPE-UWVGGRQHSA-N 0 0 245.388 2.154 10 0 BEAERN C[C@@H]1C[C@@H](O)CN(C/C(Cl)=C/Cl)C1 ZINC000306950279 643299114 /nfs/dbraw/zinc/29/91/14/643299114.db2.gz YJPAFWVNEZKAKQ-RVSWPMMESA-N 0 0 224.131 2.008 10 0 BEAERN CCOC(=O)[C@]1(F)CCC[C@@H](CC)C1=O ZINC000757183932 643359144 /nfs/dbraw/zinc/35/91/44/643359144.db2.gz TYVCELXBPJSRLJ-KCJUWKMLSA-N 0 0 216.252 2.037 10 0 BEAERN CC1(C)CC[C@@H]([NH3+])c2ccc(C(=O)[O-])cc21 ZINC000757190682 643363095 /nfs/dbraw/zinc/36/30/95/643363095.db2.gz ZDWSOKBISVRTEN-LLVKDONJSA-N 0 0 219.284 2.456 10 0 BEAERN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000082762299 643375703 /nfs/dbraw/zinc/37/57/03/643375703.db2.gz FHPUVOUYNQYVLU-MRVPVSSYSA-N 0 0 215.174 2.266 10 0 BEAERN O=C1C[C@H](c2ccc(Br)s2)N1 ZINC000082762523 643376084 /nfs/dbraw/zinc/37/60/84/643376084.db2.gz RMXMMQUJXGTZHW-SCSAIBSYSA-N 0 0 232.102 2.072 10 0 BEAERN CC[C@H](C)Oc1ncc(N)cc1Cl ZINC000233988523 643415886 /nfs/dbraw/zinc/41/58/86/643415886.db2.gz FUWLHAYJGPHUQU-LURJTMIESA-N 0 0 200.669 2.495 10 0 BEAERN C/C=C(\C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000175825363 643467910 /nfs/dbraw/zinc/46/79/10/643467910.db2.gz RBIVTTZZFGHQIQ-IPANGIIDSA-N 0 0 223.316 2.123 10 0 BEAERN CCc1nccn1-c1cc(F)cc(C=O)c1 ZINC000234145624 643517740 /nfs/dbraw/zinc/51/77/40/643517740.db2.gz WJPJMVDDXJZCRF-UHFFFAOYSA-N 0 0 218.231 2.386 10 0 BEAERN CC(=O)[C@@H]1CCCN(c2ccc(F)cn2)C1 ZINC000082644883 643521406 /nfs/dbraw/zinc/52/14/06/643521406.db2.gz MPAZGQMSOZLHDL-SNVBAGLBSA-N 0 0 222.263 2.026 10 0 BEAERN CCc1nccn1-c1ncccc1C(C)=O ZINC000234157672 643544035 /nfs/dbraw/zinc/54/40/35/643544035.db2.gz SMRIKAJOMULRKC-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN CC(C)CC1(C(=O)N[C@H](C)[C@@H](C)O)CCCC1 ZINC000346410531 643559405 /nfs/dbraw/zinc/55/94/05/643559405.db2.gz PMGVHEQKOCXPIE-VXGBXAGGSA-N 0 0 241.375 2.478 10 0 BEAERN FC(F)(F)c1cn2c(n1)N[C@H]1CCC[C@@H]1C2 ZINC000236176213 643608872 /nfs/dbraw/zinc/60/88/72/643608872.db2.gz GSPBVUAMJGQVSX-RQJHMYQMSA-N 0 0 231.221 2.496 10 0 BEAERN FC(F)(F)c1cn2c(n1)N[C@@H]1CCC[C@@H]1C2 ZINC000236176306 643610077 /nfs/dbraw/zinc/61/00/77/643610077.db2.gz GSPBVUAMJGQVSX-RNFRBKRXSA-N 0 0 231.221 2.496 10 0 BEAERN Cc1ccc(Cl)c(N[C@@H](C)[C@@H](C)O)n1 ZINC000307744153 643625223 /nfs/dbraw/zinc/62/52/23/643625223.db2.gz OCFLGWIDYSMONJ-JGVFFNPUSA-N 0 0 214.696 2.225 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)n2ccnc2)C1 ZINC000307795471 643647975 /nfs/dbraw/zinc/64/79/75/643647975.db2.gz DQUUZAVCYNCPFV-NSHDSACASA-N 0 0 221.304 2.219 10 0 BEAERN CCCc1[nH]nc(N)c1-c1ccncc1 ZINC000087618779 643663575 /nfs/dbraw/zinc/66/35/75/643663575.db2.gz DCUNKISBIWXGST-UHFFFAOYSA-N 0 0 202.261 2.006 10 0 BEAERN Cc1nn(-c2ccc(C=O)cn2)c(C)c1C ZINC000087718027 643668484 /nfs/dbraw/zinc/66/84/84/643668484.db2.gz YJAZGSSBHGMTKO-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN CCC[C@@H](C)OC(=O)[C@H](NC(=O)OC)C(C)C ZINC000177789014 643684018 /nfs/dbraw/zinc/68/40/18/643684018.db2.gz XKLOIYNHYJCHPL-NXEZZACHSA-N 0 0 245.319 2.099 10 0 BEAERN CC/C=C(/C)C(=O)NCc1cscn1 ZINC000050405286 643698373 /nfs/dbraw/zinc/69/83/73/643698373.db2.gz JGDKDGKXKLSJDC-YWEYNIOJSA-N 0 0 210.302 2.116 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCc1ccoc1 ZINC000192204501 644137747 /nfs/dbraw/zinc/13/77/47/644137747.db2.gz UXEKWCINLCJCTO-GXSJLCMTSA-N 0 0 224.256 2.138 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OC1(C)CCC1 ZINC000192245527 644140609 /nfs/dbraw/zinc/14/06/09/644140609.db2.gz QVWSDSXSTBNEJM-NXEZZACHSA-N 0 0 212.289 2.287 10 0 BEAERN CCCOc1ncc(N)cc1Br ZINC000086481793 644141008 /nfs/dbraw/zinc/14/10/08/644141008.db2.gz BKIIELASTQBIIH-UHFFFAOYSA-N 0 0 231.093 2.215 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@H]1CCCO[C@@H]1C ZINC000192281380 644142689 /nfs/dbraw/zinc/14/26/89/644142689.db2.gz MJUAOORIGWUUHQ-NEPJUHHUSA-N 0 0 238.327 2.394 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCC(C)(C)CC#N ZINC000192294611 644142692 /nfs/dbraw/zinc/14/26/92/644142692.db2.gz IDKFXCFJTWDIQX-MNOVXSKESA-N 0 0 239.315 2.285 10 0 BEAERN C[C@H](OC(=O)c1cccc(F)c1)[C@@H]1CCOC1 ZINC000079176690 644159987 /nfs/dbraw/zinc/15/99/87/644159987.db2.gz AKDWXSBRVDLDJD-GXSJLCMTSA-N 0 0 238.258 2.408 10 0 BEAERN Cc1ncsc1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000079188728 644160972 /nfs/dbraw/zinc/16/09/72/644160972.db2.gz AURJESYIEXUXPU-IUCAKERBSA-N 0 0 241.312 2.033 10 0 BEAERN COC(=O)[C@H](C)[C@H]1CCCc2cccnc21 ZINC000086734501 644170014 /nfs/dbraw/zinc/17/00/14/644170014.db2.gz NZCZYRWHIBNDIG-MWLCHTKSSA-N 0 0 219.284 2.311 10 0 BEAERN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1C[C@H]1C ZINC000321922460 644182541 /nfs/dbraw/zinc/18/25/41/644182541.db2.gz RGLCMPHTJMQLPA-WCABBAIRSA-N 0 0 246.310 2.474 10 0 BEAERN O=C([O-])[C@H]1CCC[C@@H](c2cccs2)[NH2+]1 ZINC000074148757 644272093 /nfs/dbraw/zinc/27/20/93/644272093.db2.gz SXTZUMYWXCTLPU-JGVFFNPUSA-N 0 0 211.286 2.016 10 0 BEAERN O=C(NCC1CCC1)N[C@H]1COc2ccccc21 ZINC000194685677 644340039 /nfs/dbraw/zinc/34/00/39/644340039.db2.gz WNNGZNRCTXBHCH-LBPRGKRZSA-N 0 0 246.310 2.219 10 0 BEAERN CC(C)n1nnnc1CN1CCCCCCC1 ZINC000195011726 644354950 /nfs/dbraw/zinc/35/49/50/644354950.db2.gz LAUHDYZYIHPKIX-UHFFFAOYSA-N 0 0 237.351 2.020 10 0 BEAERN CO[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000195435213 644389921 /nfs/dbraw/zinc/38/99/21/644389921.db2.gz LZVNMEKQTOEHQQ-UWVGGRQHSA-N 0 0 225.288 2.190 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CNc1ccc(Cl)nn1 ZINC000082997429 644398206 /nfs/dbraw/zinc/39/82/06/644398206.db2.gz IAQRHTWHFCWOCJ-RKDXNWHRSA-N 0 0 241.722 2.093 10 0 BEAERN CCC[C@H](N)c1nc(CCC(F)(F)F)no1 ZINC000086979134 644409219 /nfs/dbraw/zinc/40/92/19/644409219.db2.gz UIXUIQTXLDJYKZ-LURJTMIESA-N 0 0 237.225 2.364 10 0 BEAERN Cc1nc(Br)c2n1CCCC2 ZINC000083989894 644416024 /nfs/dbraw/zinc/41/60/24/644416024.db2.gz OXEFJIQGZINRAE-UHFFFAOYSA-N 0 0 215.094 2.290 10 0 BEAERN c1ccc2c(c1)NCCCN2C[C@@H]1CCCO1 ZINC000085403317 644441789 /nfs/dbraw/zinc/44/17/89/644441789.db2.gz TWWJJFCSSCOEAK-LBPRGKRZSA-N 0 0 232.327 2.488 10 0 BEAERN Cc1cc(C)n(-c2nc(Cl)c(C=O)s2)n1 ZINC000087767999 644501642 /nfs/dbraw/zinc/50/16/42/644501642.db2.gz UEYWSALZLHWRIN-UHFFFAOYSA-N 0 0 241.703 2.412 10 0 BEAERN CCOC(=O)c1cnc(CSCC)nc1C ZINC000230386850 644525575 /nfs/dbraw/zinc/52/55/75/644525575.db2.gz JJGYYXKDMWBSRQ-UHFFFAOYSA-N 0 0 240.328 2.215 10 0 BEAERN CCOC(=O)c1cnc([C@@H](C)CC)nc1C ZINC000230386964 644525914 /nfs/dbraw/zinc/52/59/14/644525914.db2.gz SDGLUDPBGLUBJH-QMMMGPOBSA-N 0 0 222.288 2.475 10 0 BEAERN CCOC(=O)c1cnc([C@@H]2C[C@@H]2C)nc1C ZINC000230386863 644525925 /nfs/dbraw/zinc/52/59/25/644525925.db2.gz PDPPPTIMGCKHAM-IONNQARKSA-N 0 0 220.272 2.085 10 0 BEAERN CS[C@H](C)CC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000245633546 644534327 /nfs/dbraw/zinc/53/43/27/644534327.db2.gz QVDBFWKWTNLIMO-BBBLOLIVSA-N 0 0 232.345 2.096 10 0 BEAERN Cc1n[nH]c(C)c1CCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000089282499 644540577 /nfs/dbraw/zinc/54/05/77/644540577.db2.gz MQIIEDSCEQEIHE-QWHCGFSZSA-N 0 0 248.326 2.158 10 0 BEAERN Cc1cc(NC(=O)/C=C/c2ccccn2)ccn1 ZINC000089591466 644557851 /nfs/dbraw/zinc/55/78/51/644557851.db2.gz YLRCKRIMVYILPR-AATRIKPKSA-N 0 0 239.278 2.437 10 0 BEAERN CC[C@H](SC)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000246057662 644561647 /nfs/dbraw/zinc/56/16/47/644561647.db2.gz AKMTXUDTXOEOCH-GUBZILKMSA-N 0 0 232.345 2.096 10 0 BEAERN CCC[C@H](C)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000246397969 644584272 /nfs/dbraw/zinc/58/42/72/644584272.db2.gz ACOKFFDFMWVTHW-DCAQKATOSA-N 0 0 214.305 2.391 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CC=CCC1)[C@H]1CCOC1 ZINC000246473975 644588842 /nfs/dbraw/zinc/58/88/42/644588842.db2.gz GZBGEGUJBRLBIA-TUAOUCFPSA-N 0 0 224.300 2.311 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000248282055 644673144 /nfs/dbraw/zinc/67/31/44/644673144.db2.gz VRLUIHOGFSVJLM-WISYIIOYSA-N 0 0 242.315 2.055 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000248277894 644673494 /nfs/dbraw/zinc/67/34/94/644673494.db2.gz TYXQFSVMFBABEA-OPRDCNLKSA-N 0 0 200.278 2.142 10 0 BEAERN CC[C@H](C)OC(=O)[C@H]1CCCO[C@H]1C ZINC000249081524 644712915 /nfs/dbraw/zinc/71/29/15/644712915.db2.gz PAGQLTDTAQSMOT-GUBZILKMSA-N 0 0 200.278 2.143 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252216194 644843390 /nfs/dbraw/zinc/84/33/90/644843390.db2.gz XSYOPZBOLFVHNR-NJMOYASZSA-N 0 0 236.359 2.327 10 0 BEAERN CCC[C@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757123210 644863494 /nfs/dbraw/zinc/86/34/94/644863494.db2.gz AMFCZKHUSTWDIY-ZETCQYMHSA-N 0 0 229.301 2.072 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1CC1(Cl)Cl ZINC000097039105 644864864 /nfs/dbraw/zinc/86/48/64/644864864.db2.gz LRHFFPCNTKALLT-NKWVEPMBSA-N 0 0 224.131 2.341 10 0 BEAERN COc1ccccc1C12CC(C1)C(=O)C2 ZINC000757545127 644871322 /nfs/dbraw/zinc/87/13/22/644871322.db2.gz QVMXOMHJLVUPIP-UHFFFAOYSA-N 0 0 202.253 2.316 10 0 BEAERN CSc1ccc(OC(=O)c2cnn(C)c2)cc1 ZINC000102794023 645195704 /nfs/dbraw/zinc/19/57/04/645195704.db2.gz LSHWPWOCQBFVCB-UHFFFAOYSA-N 0 0 248.307 2.361 10 0 BEAERN COC[C@H](OC(=O)CCc1ccoc1)C1CC1 ZINC000132045851 645852351 /nfs/dbraw/zinc/85/23/51/645852351.db2.gz QZFPDZWZAYZQAI-LBPRGKRZSA-N 0 0 238.283 2.180 10 0 BEAERN C[C@@H]1CCCC[C@@H]1N(C)c1ncc(C=O)cn1 ZINC000126300879 645929614 /nfs/dbraw/zinc/92/96/14/645929614.db2.gz XTYIQGDFKDZQQN-PWSUYJOCSA-N 0 0 233.315 2.304 10 0 BEAERN O=C(Nc1ccc(CO)cc1)c1ccccc1 ZINC000035242844 646118079 /nfs/dbraw/zinc/11/80/79/646118079.db2.gz KDKGQLQFUUQUFT-UHFFFAOYSA-N 0 0 227.263 2.431 10 0 BEAERN CC(C)OC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723840211 711538038 /nfs/dbraw/zinc/53/80/38/711538038.db2.gz NPRQUBFDEDGSCP-NEPJUHHUSA-N 0 0 241.331 2.326 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2cc(C(F)F)ncn2)C1 ZINC000724616798 711599020 /nfs/dbraw/zinc/59/90/20/711599020.db2.gz BYXLERKGPCRBTK-SFYZADRCSA-N 0 0 243.257 2.130 10 0 BEAERN COC(=O)c1cncc(N[C@H](C)C(C)(C)C)n1 ZINC000122861193 711604458 /nfs/dbraw/zinc/60/44/58/711604458.db2.gz YFQIXMRAMCKPNV-MRVPVSSYSA-N 0 0 237.303 2.110 10 0 BEAERN Cc1cc(Cl)nc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000725680399 711669451 /nfs/dbraw/zinc/66/94/51/711669451.db2.gz CEHNVFHHSIAYJD-SFYZADRCSA-N 0 0 224.691 2.182 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCCOC(C)(C)C ZINC000192108224 711708140 /nfs/dbraw/zinc/70/81/40/711708140.db2.gz DVSORZKSUJBABN-GHMZBOCLSA-N 0 0 244.331 2.160 10 0 BEAERN COc1ccc(I)s1 ZINC000205117616 711729801 /nfs/dbraw/zinc/72/98/01/711729801.db2.gz OLYDCLGIHQUCGV-UHFFFAOYSA-N 0 0 240.065 2.361 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000721774949 711768976 /nfs/dbraw/zinc/76/89/76/711768976.db2.gz BEBMSVQLYHNFFC-GRYCIOLGSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1cnc(Cl)s1 ZINC000307210110 711774027 /nfs/dbraw/zinc/77/40/27/711774027.db2.gz MAWRGUBGAOIUGJ-JGVFFNPUSA-N 0 0 246.763 2.142 10 0 BEAERN CC[C@H](C)Oc1nc(Cl)ccc1N ZINC000228449728 711834768 /nfs/dbraw/zinc/83/47/68/711834768.db2.gz GGAIAKINCMYZNO-LURJTMIESA-N 0 0 200.669 2.495 10 0 BEAERN CC(C)CNC(=S)N1C[C@H]2CCC[C@@H]21 ZINC000706848522 712157031 /nfs/dbraw/zinc/15/70/31/712157031.db2.gz NDTHSYUATLAJCM-ZJUUUORDSA-N 0 0 212.362 2.001 10 0 BEAERN CSC1CC(NC(=O)N2CCC[C@@H](C)C2)C1 ZINC000707271208 712168126 /nfs/dbraw/zinc/16/81/26/712168126.db2.gz OHWCSCZRPSRXKJ-KPPDAEKUSA-N 0 0 242.388 2.322 10 0 BEAERN CSC1CC(Nc2ncnc(N)c2Cl)C1 ZINC000707171694 712166178 /nfs/dbraw/zinc/16/61/78/712166178.db2.gz ZUYSDUAWWUJHNT-UHFFFAOYSA-N 0 0 244.751 2.018 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000707804483 712178584 /nfs/dbraw/zinc/17/85/84/712178584.db2.gz DMCKJRRZOXWWPW-SNVBAGLBSA-N 0 0 237.324 2.189 10 0 BEAERN C=C/C=C/CCNC(=O)[C@@H]1CCO[C@@H]1CC ZINC000713468931 712461300 /nfs/dbraw/zinc/46/13/00/712461300.db2.gz UMBGQBDVJOKAFV-IEVRTODYSA-N 0 0 223.316 2.050 10 0 BEAERN CCC[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714337788 712482795 /nfs/dbraw/zinc/48/27/95/712482795.db2.gz KNKNWCDITBUSBB-QWRGUYRKSA-N 0 0 243.347 2.177 10 0 BEAERN CC1CC(C(=O)N2CCC[C@H](C(C)(C)O)C2)C1 ZINC000719707137 712823494 /nfs/dbraw/zinc/82/34/94/712823494.db2.gz PHFNMUWUPOELHC-MCIGGMRASA-N 0 0 239.359 2.042 10 0 BEAERN FC(F)c1cc(NCC[C@@H]2CCCO2)ncn1 ZINC000724651612 710744562 /nfs/dbraw/zinc/74/45/62/710744562.db2.gz SZDDRSHEEXOYKR-QMMMGPOBSA-N 0 0 243.257 2.395 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H]1CNc2ccccc21 ZINC000134006880 711478180 /nfs/dbraw/zinc/47/81/80/711478180.db2.gz OVXSAJVFHCDQFJ-ZYHUDNBSSA-N 0 0 232.327 2.356 10 0 BEAERN Cc1cc(CNCc2ncc(C)cc2C)nn1C ZINC000724095381 711560393 /nfs/dbraw/zinc/56/03/93/711560393.db2.gz JGUJJXNALQDQAA-UHFFFAOYSA-N 0 0 244.342 2.030 10 0 BEAERN Cc1nnc(CNCc2ncc(C)cc2C)s1 ZINC000724099414 711560788 /nfs/dbraw/zinc/56/07/88/711560788.db2.gz YXWHNKNSFBRBGF-UHFFFAOYSA-N 0 0 248.355 2.148 10 0 BEAERN CC(C)C[C@H]([NH2+][C@H](C)C(C)C)C(=O)[O-] ZINC000043432139 711582821 /nfs/dbraw/zinc/58/28/21/711582821.db2.gz OBGIQVNAZVYROO-ZJUUUORDSA-N 0 0 201.310 2.120 10 0 BEAERN CCNC(=S)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000135955219 711670424 /nfs/dbraw/zinc/67/04/24/711670424.db2.gz CNUQQQVZPRUHAI-VHSXEESVSA-N 0 0 214.378 2.391 10 0 BEAERN CC(C)c1nccnc1N1CC[C@H](C(C)(C)O)C1 ZINC000721781725 711769542 /nfs/dbraw/zinc/76/95/42/711769542.db2.gz CGPQCCICDNYCEK-NSHDSACASA-N 0 0 249.358 2.197 10 0 BEAERN Cc1ccc(NC(=O)N2CC3(CC3)C2)c(C)n1 ZINC000334695758 711776614 /nfs/dbraw/zinc/77/66/14/711776614.db2.gz FWPCVKJOFNLICZ-UHFFFAOYSA-N 0 0 231.299 2.326 10 0 BEAERN CCc1cnc(CN2CCC[C@@H](C(C)=O)C2)o1 ZINC000700406628 711992138 /nfs/dbraw/zinc/99/21/38/711992138.db2.gz XKYMWBDLAULCNK-LLVKDONJSA-N 0 0 236.315 2.038 10 0 BEAERN Cc1ccc([C@H](C)NCc2nc(C)cc(=O)[nH]2)o1 ZINC000700479370 711994856 /nfs/dbraw/zinc/99/48/56/711994856.db2.gz DTKQFEGJBFNSLD-JTQLQIEISA-N 0 0 247.298 2.243 10 0 BEAERN O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CO1 ZINC000700645990 712001741 /nfs/dbraw/zinc/00/17/41/712001741.db2.gz LTABDEZIGJTWHI-AWEZNQCLSA-N 0 0 245.322 2.187 10 0 BEAERN CCCCOC(=O)[C@@H]1Cc2ccccc2CO1 ZINC000700714976 712004504 /nfs/dbraw/zinc/00/45/04/712004504.db2.gz MJGIWXFBUCBXEC-ZDUSSCGKSA-N 0 0 234.295 2.471 10 0 BEAERN CCCCNC(=S)N1C[C@@H]2CCC[C@H]21 ZINC000706742227 712153260 /nfs/dbraw/zinc/15/32/60/712153260.db2.gz JKTSEQQGGGXDFW-VHSXEESVSA-N 0 0 212.362 2.145 10 0 BEAERN CCCCNC(=S)N1C[C@H]2CCC[C@@H]21 ZINC000706742231 712153517 /nfs/dbraw/zinc/15/35/17/712153517.db2.gz JKTSEQQGGGXDFW-ZJUUUORDSA-N 0 0 212.362 2.145 10 0 BEAERN O=C(c1cccc(Cl)n1)N1C[C@H]2CCC[C@H]21 ZINC000706886251 712158823 /nfs/dbraw/zinc/15/88/23/712158823.db2.gz WUDSWGKEQGUTIT-PSASIEDQSA-N 0 0 236.702 2.360 10 0 BEAERN O=C(c1ccnc(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000706886989 712159109 /nfs/dbraw/zinc/15/91/09/712159109.db2.gz YQACUKUGCKHZRO-NXEZZACHSA-N 0 0 236.702 2.360 10 0 BEAERN CC[C@@H](C)[C@@H](NC1CC(SC)C1)C(=O)OC ZINC000706944694 712162863 /nfs/dbraw/zinc/16/28/63/712162863.db2.gz GPNWUMVIMAXSLP-AGVGLQIMSA-N 0 0 245.388 2.058 10 0 BEAERN CSC1CC(NC(=O)N2CCC(C)CC2)C1 ZINC000707272264 712167970 /nfs/dbraw/zinc/16/79/70/712167970.db2.gz YIDGUQWMLCZZQO-UHFFFAOYSA-N 0 0 242.388 2.322 10 0 BEAERN CC/C=C(\C)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707724883 712176691 /nfs/dbraw/zinc/17/66/91/712176691.db2.gz LKOFCODDBOSPFV-JXPAYYINSA-N 0 0 223.316 2.170 10 0 BEAERN CC/C=C(/C)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707724884 712177006 /nfs/dbraw/zinc/17/70/06/712177006.db2.gz LKOFCODDBOSPFV-XTOZHPGHSA-N 0 0 223.316 2.170 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H](C)CC(C)C)C1 ZINC000707786800 712178535 /nfs/dbraw/zinc/17/85/35/712178535.db2.gz RKERDRWRCWSSFO-YPMHNXCESA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000707782456 712178658 /nfs/dbraw/zinc/17/86/58/712178658.db2.gz BKCWZMMYNZXGOX-AAVRWANBSA-N 0 0 249.354 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC000707838099 712179937 /nfs/dbraw/zinc/17/99/37/712179937.db2.gz RPKUKCWRMQZPHT-LBPRGKRZSA-N 0 0 249.354 2.394 10 0 BEAERN CCOc1cc(NC2CC(SC)C2)ncn1 ZINC000708256612 712184499 /nfs/dbraw/zinc/18/44/99/712184499.db2.gz HZRCXDCYTOTOQH-UHFFFAOYSA-N 0 0 239.344 2.181 10 0 BEAERN Cc1conc1CN[C@H](C)c1cncc(F)c1 ZINC000708274680 712185440 /nfs/dbraw/zinc/18/54/40/712185440.db2.gz LHXDWWDRZNDVJV-SECBINFHSA-N 0 0 235.262 2.368 10 0 BEAERN C[C@@H]1CN(c2nccc3sccc32)C[C@H]1CO ZINC000709118356 712209181 /nfs/dbraw/zinc/20/91/81/712209181.db2.gz NDIGKGRPLOODQN-ZJUUUORDSA-N 0 0 248.351 2.361 10 0 BEAERN C[C@@H](CSC[C@H](O)CO)CC(C)(C)C ZINC000709152330 712210663 /nfs/dbraw/zinc/21/06/63/712210663.db2.gz OOORNCNPPGOWGM-NXEZZACHSA-N 0 0 220.378 2.145 10 0 BEAERN CC(C)c1cnc(CN[C@@H]2CCO[C@@H]2C)o1 ZINC000378752554 712358818 /nfs/dbraw/zinc/35/88/18/712358818.db2.gz VXFUCLSNHODBTF-NXEZZACHSA-N 0 0 224.304 2.065 10 0 BEAERN Cc1ccccc1N[C@H](C)C[C@@H]1CCC(=O)N1 ZINC000379756733 712397556 /nfs/dbraw/zinc/39/75/56/712397556.db2.gz WRGGSIWFXWMLES-NEPJUHHUSA-N 0 0 232.327 2.464 10 0 BEAERN Cc1cnc([C@@H](C)Nc2nccc3nc[nH]c32)o1 ZINC000714221503 712479167 /nfs/dbraw/zinc/47/91/67/712479167.db2.gz OMLJLIMZAXSOBY-MRVPVSSYSA-N 0 0 243.270 2.427 10 0 BEAERN CC(C)[C@H](C)Nc1nccc2nc[nH]c21 ZINC000714224486 712479389 /nfs/dbraw/zinc/47/93/89/712479389.db2.gz VCZDLWRJGGKAPF-QMMMGPOBSA-N 0 0 204.277 2.414 10 0 BEAERN CCn1cc(CNc2cscc2C)nn1 ZINC000714918016 712499873 /nfs/dbraw/zinc/49/98/73/712499873.db2.gz RWGUTEXFENOOPH-UHFFFAOYSA-N 0 0 222.317 2.280 10 0 BEAERN CC(C)OC(=O)NCC[C@H]1CCCS1 ZINC000716023422 712546811 /nfs/dbraw/zinc/54/68/11/712546811.db2.gz VUPONDVJBSSMKU-SECBINFHSA-N 0 0 217.334 2.407 10 0 BEAERN CC1CC(C(=O)N2CCC(C(C)(C)O)CC2)C1 ZINC000716407340 712558913 /nfs/dbraw/zinc/55/89/13/712558913.db2.gz QNGCIANFMTYEQF-UHFFFAOYSA-N 0 0 239.359 2.042 10 0 BEAERN CC(C)(C(=O)O[C@@H]1CCOC1)c1cccs1 ZINC000115913869 712616996 /nfs/dbraw/zinc/61/69/96/712616996.db2.gz RBZCFUOJOQWHHF-SECBINFHSA-N 0 0 240.324 2.358 10 0 BEAERN CCc1cnc(NCc2cc(C)on2)s1 ZINC000379975262 712643171 /nfs/dbraw/zinc/64/31/71/712643171.db2.gz DAIXZJCBFLIWKH-UHFFFAOYSA-N 0 0 223.301 2.036 10 0 BEAERN O=C(NCCC1CCCCC1)n1ccnc1 ZINC000037742055 712753606 /nfs/dbraw/zinc/75/36/06/712753606.db2.gz GBHPYZBUQSVBRK-UHFFFAOYSA-N 0 0 221.304 2.411 10 0 BEAERN Cc1cnc([C@H](C)NCCc2ccns2)o1 ZINC000719856591 712824549 /nfs/dbraw/zinc/82/45/49/712824549.db2.gz ZICXMZTUWYOPOR-VIFPVBQESA-N 0 0 237.328 2.333 10 0 BEAERN CC(C)(C)Cc1noc(-c2cnc(N)s2)n1 ZINC000719957728 712826826 /nfs/dbraw/zinc/82/68/26/712826826.db2.gz NYRZFUNQHKAWOZ-UHFFFAOYSA-N 0 0 238.316 2.364 10 0 BEAERN C[C@@H](Nc1ccc(Cl)cn1)c1cn(C)nn1 ZINC000720581038 712854259 /nfs/dbraw/zinc/85/42/59/712854259.db2.gz AOEZAZVVJOJZHH-SSDOTTSWSA-N 0 0 237.694 2.037 10 0 BEAERN C[C@H](Nc1ccc(Cl)cn1)c1cn(C)nn1 ZINC000720581040 712854375 /nfs/dbraw/zinc/85/43/75/712854375.db2.gz AOEZAZVVJOJZHH-ZETCQYMHSA-N 0 0 237.694 2.037 10 0 BEAERN Cc1cccc(CN[C@@H](C)c2cn(C)nn2)c1C ZINC000720598066 712855066 /nfs/dbraw/zinc/85/50/66/712855066.db2.gz YRRYUMDQNSFYBF-LBPRGKRZSA-N 0 0 244.342 2.283 10 0 BEAERN Cc1ccc(CN[C@H](C)c2cn(C)nn2)cc1C ZINC000720596241 712856271 /nfs/dbraw/zinc/85/62/71/712856271.db2.gz QGVYBYKCEVCFPT-GFCCVEGCSA-N 0 0 244.342 2.283 10 0 BEAERN Cc1ccc(F)cc1CN[C@H](C)c1cn(C)nn1 ZINC000720602753 712857588 /nfs/dbraw/zinc/85/75/88/712857588.db2.gz NEVYBDAZFADVGM-SNVBAGLBSA-N 0 0 248.305 2.113 10 0 BEAERN C[C@H](Nc1nccc2occc21)c1cn(C)nn1 ZINC000720603708 712857823 /nfs/dbraw/zinc/85/78/23/712857823.db2.gz UZYNWSUVDLXULW-QMMMGPOBSA-N 0 0 243.270 2.129 10 0 BEAERN CC[C@H](C)c1noc(-c2cnc(CN)s2)n1 ZINC000720631898 712859948 /nfs/dbraw/zinc/85/99/48/712859948.db2.gz WUBDTUJLIMARDM-LURJTMIESA-N 0 0 238.316 2.165 10 0 BEAERN CC(C)/C=C\C(=O)OCc1cncs1 ZINC000588603229 959579486 /nfs/dbraw/zinc/57/94/86/959579486.db2.gz LLEFJMZRPTZFFU-ARJAWSKDSA-N 0 0 211.286 2.399 10 0 BEAERN C[N@H+](CCC(=O)[O-])[C@H]1CCc2c1cccc2F ZINC000126679979 1165783829 /nfs/dbraw/zinc/78/38/29/1165783829.db2.gz TXCUQXLBSMQRRP-LBPRGKRZSA-N 0 0 237.274 2.220 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2N)C1 ZINC000129222454 1166159563 /nfs/dbraw/zinc/15/95/63/1166159563.db2.gz ZNGYKGSZOUOSIM-BDAKNGLRSA-N 0 0 236.290 2.326 10 0 BEAERN C[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2N)C1 ZINC000129223075 1166159224 /nfs/dbraw/zinc/15/92/24/1166159224.db2.gz ZNGYKGSZOUOSIM-DTWKUNHWSA-N 0 0 236.290 2.326 10 0 BEAERN CCC[C@@H](C(=O)OCC)N(CC)CCOCC ZINC000129871257 1167335923 /nfs/dbraw/zinc/33/59/23/1167335923.db2.gz DGRQBVMPKWSSQI-LBPRGKRZSA-N 0 0 245.363 2.077 10 0 BEAERN CCC[C@H](C(=O)OCC)N(CC)CCOCC ZINC000129871464 1167336796 /nfs/dbraw/zinc/33/67/96/1167336796.db2.gz DGRQBVMPKWSSQI-GFCCVEGCSA-N 0 0 245.363 2.077 10 0 BEAERN CCC(C)(C)[C@H](C)[NH2+]Cc1oncc1C(=O)[O-] ZINC000695125221 976781683 /nfs/dbraw/zinc/78/16/83/976781683.db2.gz WQHJXQXWQDVGOJ-QMMMGPOBSA-N 0 0 240.303 2.287 10 0 BEAERN O=C([O-])c1csc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000711432620 977547711 /nfs/dbraw/zinc/54/77/11/977547711.db2.gz ZLKQYMKBJMEMDN-XCBNKYQSSA-N 0 0 223.297 2.041 10 0 BEAERN CCC[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC000712485711 977583915 /nfs/dbraw/zinc/58/39/15/977583915.db2.gz NZKRROQNNYKGGZ-NNYUYHANSA-N 0 0 225.332 2.408 10 0 BEAERN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000686312200 954609377 /nfs/dbraw/zinc/60/93/77/954609377.db2.gz RMCGMXZDMNHTPO-GFCCVEGCSA-N 0 0 239.290 2.333 10 0 BEAERN O=C([O-])c1ccccc1C[NH2+]Cc1cnsc1 ZINC000687230683 954614121 /nfs/dbraw/zinc/61/41/21/954614121.db2.gz SRJNGWZKCVCEOL-UHFFFAOYSA-N 0 0 248.307 2.131 10 0 BEAERN C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)C(=O)[O-] ZINC000694397555 954774991 /nfs/dbraw/zinc/77/49/91/954774991.db2.gz QCVLFWGDDOVSCK-VHSXEESVSA-N 0 0 211.305 2.020 10 0 BEAERN CCC(C)(C)[C@@H](C)[NH2+]CCCC(=O)[O-] ZINC000695083969 954805798 /nfs/dbraw/zinc/80/57/98/954805798.db2.gz OXBJHYZPUVPHPR-SECBINFHSA-N 0 0 201.310 2.266 10 0 BEAERN CCC(C)(C)[C@H](C)[NH2+]CCCC(=O)[O-] ZINC000695083971 954804504 /nfs/dbraw/zinc/80/45/04/954804504.db2.gz OXBJHYZPUVPHPR-VIFPVBQESA-N 0 0 201.310 2.266 10 0 BEAERN CC(C)[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)[O-] ZINC000695664690 954814597 /nfs/dbraw/zinc/81/45/97/954814597.db2.gz REUICANIWQMBTK-NSHDSACASA-N 0 0 225.332 2.408 10 0 BEAERN CC(C)SCC[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000710527947 955028364 /nfs/dbraw/zinc/02/83/64/955028364.db2.gz PRZLKEVGJYZNHC-WDEREUQCSA-N 0 0 245.388 2.171 10 0 BEAERN CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000710540889 955030229 /nfs/dbraw/zinc/03/02/29/955030229.db2.gz XWDYUNVRQKJVGG-VWYCJHECSA-N 0 0 213.321 2.218 10 0 BEAERN O=C([O-])CCC[NH2+]C1(C2CCC2)CCC1 ZINC000717884001 955150178 /nfs/dbraw/zinc/15/01/78/955150178.db2.gz OOGXTXUPUHOFHP-UHFFFAOYSA-N 0 0 211.305 2.164 10 0 BEAERN CC/C=C(/C)C(=O)OC[C@@H]1COC(C)(C)O1 ZINC000588387842 958159257 /nfs/dbraw/zinc/15/92/57/958159257.db2.gz UZLACUBJQGPBMJ-ABRRARGCSA-N 0 0 228.288 2.037 10 0 BEAERN CCCOCCOC(=O)/C=C\c1ncccc1C ZINC000588456341 958583268 /nfs/dbraw/zinc/58/32/68/958583268.db2.gz ODUCCEVAGXWYKH-SREVYHEPSA-N 0 0 249.310 2.373 10 0 BEAERN COC[C@H](C)COC(=O)/C=C\c1cncc(C)c1 ZINC000588485271 958749994 /nfs/dbraw/zinc/74/99/94/958749994.db2.gz DNIPJOBRYJLPLE-RXNFCKPNSA-N 0 0 249.310 2.229 10 0 BEAERN COC[C@@H](C)COC(=O)/C=C\c1ccco1 ZINC000588485341 958753528 /nfs/dbraw/zinc/75/35/28/958753528.db2.gz FTJLCCYEEHHWGK-WWQCOOJYSA-N 0 0 224.256 2.119 10 0 BEAERN Cc1cncc(/C=C\C(=O)O[C@@H]2CCO[C@@H]2C)c1 ZINC000588492464 958820368 /nfs/dbraw/zinc/82/03/68/958820368.db2.gz BUZQRLJFGBLXGU-CWBMUHOVSA-N 0 0 247.294 2.124 10 0 BEAERN COCCOCCCOC(=O)/C=C\C(C)(C)C ZINC000588586693 959410061 /nfs/dbraw/zinc/41/00/61/959410061.db2.gz QLKQAHHYWZVDNI-SREVYHEPSA-N 0 0 244.331 2.185 10 0 BEAERN C[C@@H](NC(=O)c1cc(F)ccc1N)C1CCC1 ZINC000137617077 964013879 /nfs/dbraw/zinc/01/38/79/964013879.db2.gz CXEKDCDTXRJGGR-MRVPVSSYSA-N 0 0 236.290 2.326 10 0 BEAERN Cc1cc(C[NH+]2CCC(C)(C(=O)[O-])CC2)ccn1 ZINC000703492961 968999852 /nfs/dbraw/zinc/99/98/52/968999852.db2.gz NSHVGRSDUNGFPG-UHFFFAOYSA-N 0 0 248.326 2.077 10 0 BEAERN O=C([O-])CCCCn1ccnc1C1CC1 ZINC000704185733 969003777 /nfs/dbraw/zinc/00/37/77/969003777.db2.gz QSXHSFAZQKWBNT-UHFFFAOYSA-N 0 0 208.261 2.015 10 0 BEAERN CC(C)[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714338049 969076577 /nfs/dbraw/zinc/07/65/77/969076577.db2.gz JMYFCIUPAAVLGB-WDEREUQCSA-N 0 0 243.347 2.033 10 0 BEAERN Cc1coc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000718074698 969099156 /nfs/dbraw/zinc/09/91/56/969099156.db2.gz YMFQZPWTSSPKAQ-KOLCDFICSA-N 0 0 237.299 2.131 10 0 BEAERN O=C([O-])CCCC[NH+]1CCC(C2CC2)CC1 ZINC000724684266 969126710 /nfs/dbraw/zinc/12/67/10/969126710.db2.gz KQUGJZSTCOMWGC-UHFFFAOYSA-N 0 0 225.332 2.363 10 0 BEAERN CCCNc1cc(NCc2ccncc2)ncn1 ZINC000128681305 973839525 /nfs/dbraw/zinc/83/95/25/973839525.db2.gz QCTWKSKDWMTBCU-UHFFFAOYSA-N 0 0 243.314 2.306 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689377166 976252696 /nfs/dbraw/zinc/25/26/96/976252696.db2.gz QROIQZOHWOCWHW-BRNRAETOSA-N 0 0 229.295 2.089 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000689419874 976254558 /nfs/dbraw/zinc/25/45/58/976254558.db2.gz AXCMFQQNAOOUKG-GFCCVEGCSA-N 0 0 237.274 2.319 10 0 BEAERN CC(C)C[C@@H]1CCC[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000691547782 976365665 /nfs/dbraw/zinc/36/56/65/976365665.db2.gz MXNSKWYYSHVSNT-NSHDSACASA-N 0 0 225.332 2.362 10 0 BEAERN CC(C)(C)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691868618 976387265 /nfs/dbraw/zinc/38/72/65/976387265.db2.gz SABGIXDWWQEFGA-VHSXEESVSA-N 0 0 243.347 2.033 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000691934944 976390822 /nfs/dbraw/zinc/39/08/22/976390822.db2.gz BMJUCFCUDMCOLD-WDEREUQCSA-N 0 0 243.347 2.177 10 0 BEAERN CCCC[C@H]([NH2+]CCc1ccoc1)C(=O)[O-] ZINC000692681778 976534299 /nfs/dbraw/zinc/53/42/99/976534299.db2.gz ZWTZXCQCUADIOC-NSHDSACASA-N 0 0 225.288 2.055 10 0 BEAERN Cc1[nH]c(C[NH2+]C[C@]23C[C@H]2CCC3)cc1C(=O)[O-] ZINC000693594082 976645684 /nfs/dbraw/zinc/64/56/84/976645684.db2.gz VRJSVJXLTORDAC-YGRLFVJLSA-N 0 0 248.326 2.301 10 0 BEAERN O=C([O-])[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000695100070 976778210 /nfs/dbraw/zinc/77/82/10/976778210.db2.gz BMYTZXVNLLGUEC-RKDXNWHRSA-N 0 0 233.258 2.017 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCSC[C@H](C)C1 ZINC000695164965 976785427 /nfs/dbraw/zinc/78/54/27/976785427.db2.gz FDLFPBKZMDEWNA-MNOVXSKESA-N 0 0 245.388 2.171 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCSC[C@@H](C)C1 ZINC000695164968 976785649 /nfs/dbraw/zinc/78/56/49/976785649.db2.gz FDLFPBKZMDEWNA-QWRGUYRKSA-N 0 0 245.388 2.171 10 0 BEAERN CCCC[C@H]([NH2+]C1(C2CC2)CC1)C(=O)[O-] ZINC000697434468 976843733 /nfs/dbraw/zinc/84/37/33/976843733.db2.gz YPFFLCOLURDUTG-JTQLQIEISA-N 0 0 211.305 2.162 10 0 BEAERN CC[N@H+](CC[C@H]1CCCCO1)C(C)(C)C(=O)[O-] ZINC000699665087 976926922 /nfs/dbraw/zinc/92/69/22/976926922.db2.gz WNAYWLQSQJDPNX-LLVKDONJSA-N 0 0 243.347 2.131 10 0 BEAERN CC1([NH2+]Cc2cc(C(=O)[O-])co2)CC=CC1 ZINC000702132435 977066429 /nfs/dbraw/zinc/06/64/29/977066429.db2.gz RCIVDSWKQDTMRU-UHFFFAOYSA-N 0 0 221.256 2.176 10 0 BEAERN O=C([O-])CC1(C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000702577291 977093568 /nfs/dbraw/zinc/09/35/68/977093568.db2.gz XOLHIUYCBXTBKJ-UHFFFAOYSA-N 0 0 223.316 2.117 10 0 BEAERN C[C@@H]([NH2+]CC[C@H](C)F)c1ncc(C(=O)[O-])s1 ZINC000702643176 977099088 /nfs/dbraw/zinc/09/90/88/977099088.db2.gz HVMQDDDJSDMMEU-NKWVEPMBSA-N 0 0 246.307 2.240 10 0 BEAERN CCCCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000702744381 977118321 /nfs/dbraw/zinc/11/83/21/977118321.db2.gz XPDPPMOUGXZSQG-YPMHNXCESA-N 0 0 243.347 2.131 10 0 BEAERN C[C@@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000705575873 977283131 /nfs/dbraw/zinc/28/31/31/977283131.db2.gz QCJCHHTZTRHOSP-RXMQYKEDSA-N 0 0 249.644 2.181 10 0 BEAERN CCCC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706323492 977313271 /nfs/dbraw/zinc/31/32/71/977313271.db2.gz CLFMPFDAGQQYOI-DTWKUNHWSA-N 0 0 235.274 2.217 10 0 BEAERN C[C@@H]([NH2+]Cc1ccoc1C(=O)[O-])C1(C)CC1 ZINC000706597718 977356226 /nfs/dbraw/zinc/35/62/26/977356226.db2.gz DNUANPWCLYGLPN-MRVPVSSYSA-N 0 0 223.272 2.256 10 0 BEAERN Cc1cc(C[N@H+]2C[C@H](C)[C@H]2C)oc1C(=O)[O-] ZINC000706912047 977367830 /nfs/dbraw/zinc/36/78/30/977367830.db2.gz CYKFINDLRMNMHI-DTWKUNHWSA-N 0 0 223.272 2.126 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccsc2C(=O)[O-])[C@H]1C ZINC000706915298 977368883 /nfs/dbraw/zinc/36/88/83/977368883.db2.gz MWTZLBWDCFNSNE-SFYZADRCSA-N 0 0 225.313 2.287 10 0 BEAERN C/C(=C\C[N@@H+]1CCC12CCCC2)C(=O)[O-] ZINC000707307895 977383115 /nfs/dbraw/zinc/38/31/15/977383115.db2.gz UPRKBYLFAJGSFG-ONNFQVAWSA-N 0 0 209.289 2.036 10 0 BEAERN CCC(CC)([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000708332370 977422597 /nfs/dbraw/zinc/42/25/97/977422597.db2.gz WJQUYFXCJMLPNM-JTQLQIEISA-N 0 0 243.347 2.035 10 0 BEAERN C[C@@H]([NH2+]CCC(=O)[O-])C1CCC(F)(F)CC1 ZINC000709218312 977454362 /nfs/dbraw/zinc/45/43/62/977454362.db2.gz WHYRVBNNGLEFDN-MRVPVSSYSA-N 0 0 235.274 2.265 10 0 BEAERN CC[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)C(=O)[O-] ZINC000709736479 977468939 /nfs/dbraw/zinc/46/89/39/977468939.db2.gz KRSMZNXVAJEBCI-ZJUUUORDSA-N 0 0 243.347 2.033 10 0 BEAERN C[C@H]1C[N@H+](CCCC2CC2)C[C@]1(C)C(=O)[O-] ZINC000710141252 977485231 /nfs/dbraw/zinc/48/52/31/977485231.db2.gz ZMPHIBMMWVSTHS-GWCFXTLKSA-N 0 0 225.332 2.219 10 0 BEAERN Cc1occc1C[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710320796 977503075 /nfs/dbraw/zinc/50/30/75/977503075.db2.gz YUEOXXOHVJSYGB-ZANVPECISA-N 0 0 237.299 2.131 10 0 BEAERN CCCC[C@H]([NH2+]C[C@]12C[C@H]1CCC2)C(=O)[O-] ZINC000710581787 977513562 /nfs/dbraw/zinc/51/35/62/977513562.db2.gz UYTHPDITMCRWOM-MDZLAQPJSA-N 0 0 225.332 2.410 10 0 BEAERN O=C([O-])c1ccc(F)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000711059890 977528536 /nfs/dbraw/zinc/52/85/36/977528536.db2.gz MCWPYQOABXVWSL-ONGXEEELSA-N 0 0 249.285 2.366 10 0 BEAERN CC(C)CC[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711661503 977565284 /nfs/dbraw/zinc/56/52/84/977565284.db2.gz DNGFEMKVDLQSNL-YPMHNXCESA-N 0 0 225.332 2.362 10 0 BEAERN CCCC[C@@H]([NH2+]C[C@H]1C=CCC1)C(=O)[O-] ZINC000711732903 977569652 /nfs/dbraw/zinc/56/96/52/977569652.db2.gz UQLZTEVLJDJFEI-WDEREUQCSA-N 0 0 211.305 2.186 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccccc1 ZINC000711748588 977572908 /nfs/dbraw/zinc/57/29/08/977572908.db2.gz HQQWEQQJQGKAPD-AAEUAGOBSA-N 0 0 231.295 2.368 10 0 BEAERN C=C/C=C\CC[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000713714610 977658291 /nfs/dbraw/zinc/65/82/91/977658291.db2.gz BHLSNRRYWDIMPT-DSAOOCMMSA-N 0 0 223.316 2.161 10 0 BEAERN CCC1(C[NH2+]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCC1 ZINC000715243820 977703552 /nfs/dbraw/zinc/70/35/52/977703552.db2.gz FJUSCMQOMCQVEA-IUCAKERBSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715329739 977743133 /nfs/dbraw/zinc/74/31/33/977743133.db2.gz ZAKMNMKQDKIFRI-HLTSFMKQSA-N 0 0 249.301 2.367 10 0 BEAERN CC1(C[NH2+]C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CCCC1 ZINC000715544264 977766810 /nfs/dbraw/zinc/76/68/10/977766810.db2.gz CDZHIGJODXENQA-RKDXNWHRSA-N 0 0 247.285 2.122 10 0 BEAERN CC1(C[NH2+]C[C@H]2[C@H](C(=O)[O-])C2(F)F)CCCC1 ZINC000715638622 977775469 /nfs/dbraw/zinc/77/54/69/977775469.db2.gz CDZHIGJODXENQA-DTWKUNHWSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000716459633 977840695 /nfs/dbraw/zinc/84/06/95/977840695.db2.gz FKRQCODDTFCDEY-KXGXSXBTSA-N 0 0 249.310 2.360 10 0 BEAERN CCCC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[O-] ZINC000717381688 977897610 /nfs/dbraw/zinc/89/76/10/977897610.db2.gz FHTFYVWSARSHBP-MNOVXSKESA-N 0 0 243.347 2.035 10 0 BEAERN C[N@H+](Cc1cc(C(=O)[O-])no1)C1(C)CCCC1 ZINC000720341123 978028278 /nfs/dbraw/zinc/02/82/78/978028278.db2.gz LZTQLPWDFJYWSK-UHFFFAOYSA-N 0 0 238.287 2.137 10 0 BEAERN CCCN(C(=O)c1cc(F)ccc1N)C1CC1 ZINC000037097380 1170931150 /nfs/dbraw/zinc/93/11/50/1170931150.db2.gz BNWRTXGLHITPOJ-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN Cc1ccc2sc(NCC(=O)N(C)C)nc2c1 ZINC000037225645 1170936942 /nfs/dbraw/zinc/93/69/42/1170936942.db2.gz CLTXGDJHIMQWNE-UHFFFAOYSA-N 0 0 249.339 2.105 10 0 BEAERN Cc1cccc(NC(=O)c2cc(N)ccn2)c1 ZINC000050696528 1171825144 /nfs/dbraw/zinc/82/51/44/1171825144.db2.gz JRQMFSMZLGVIIY-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Cc1ccc(F)c(NC(=O)c2cc(N)ccn2)c1 ZINC000050700455 1171825160 /nfs/dbraw/zinc/82/51/60/1171825160.db2.gz ZKHOAKKXIMFMTC-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Nc1ccnc(C(=O)Nc2cccc(F)c2)c1 ZINC000050698710 1171826751 /nfs/dbraw/zinc/82/67/51/1171826751.db2.gz UDCMTIDBILYDRT-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CCc1ccccc1NC(=O)c1cc(N)ccn1 ZINC000050699543 1171828394 /nfs/dbraw/zinc/82/83/94/1171828394.db2.gz VQEFHESVRKHPPE-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN Cc1nnc(SCc2cccc(N)c2)o1 ZINC000051037669 1171868352 /nfs/dbraw/zinc/86/83/52/1171868352.db2.gz MKWDBWJDCGUIMZ-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000685963576 538910399 /nfs/dbraw/zinc/91/03/99/538910399.db2.gz SVWGGLSDQZBBHO-CKLFPEKLSA-N 0 0 220.316 2.012 10 0 BEAERN CCCC[C@H](C)c1n[nH]nc1C(=O)OCC ZINC000685954561 538899477 /nfs/dbraw/zinc/89/94/77/538899477.db2.gz UGYIDGWHAHSWKF-QMMMGPOBSA-N 0 0 225.292 2.275 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H](C(C)C)N2 ZINC000685963555 538910446 /nfs/dbraw/zinc/91/04/46/538910446.db2.gz SCWSAPWLQPQXRP-QWHCGFSZSA-N 0 0 205.301 2.349 10 0 BEAERN C[C@H]1CCC[C@H](OCC(F)(F)C[NH3+])C1 ZINC000685955976 538901590 /nfs/dbraw/zinc/90/15/90/538901590.db2.gz GYWZISFJWOAKAR-IUCAKERBSA-N 0 0 207.264 2.176 10 0 BEAERN CC[C@H](OCC(F)(F)C[NH3+])C1CCC1 ZINC000685955912 538901726 /nfs/dbraw/zinc/90/17/26/538901726.db2.gz SSBLIRZQMKRGBB-VIFPVBQESA-N 0 0 207.264 2.176 10 0 BEAERN C[C@@H]1CCC[C@@H](OCC(F)(F)C[NH3+])C1 ZINC000685955977 538901797 /nfs/dbraw/zinc/90/17/97/538901797.db2.gz GYWZISFJWOAKAR-RKDXNWHRSA-N 0 0 207.264 2.176 10 0 BEAERN CCNCC(F)(F)COCC1CCC1 ZINC000685956909 538902416 /nfs/dbraw/zinc/90/24/16/538902416.db2.gz JLMHAUWNKYCEFG-UHFFFAOYSA-N 0 0 207.264 2.048 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H](C(C)C)N2 ZINC000685963556 538910479 /nfs/dbraw/zinc/91/04/79/538910479.db2.gz SCWSAPWLQPQXRP-STQMWFEESA-N 0 0 205.301 2.349 10 0 BEAERN CCC(C)(CC)NC(=O)c1ccc(=O)[nH]c1 ZINC000112827425 168310170 /nfs/dbraw/zinc/31/01/70/168310170.db2.gz DZRDJZWGWWUYMQ-UHFFFAOYSA-N 0 0 222.288 2.096 10 0 BEAERN CCCCOCC(F)(F)C(=O)OCC ZINC000685957419 538904223 /nfs/dbraw/zinc/90/42/23/538904223.db2.gz XWZWCDZPBXYRIP-UHFFFAOYSA-N 0 0 210.220 2.002 10 0 BEAERN CO[C@H](C)[C@H]1[C@@H](C)C(=O)NC12CCCCC2 ZINC000685958260 538905523 /nfs/dbraw/zinc/90/55/23/538905523.db2.gz BUIDVBLSUOOWQY-GMTAPVOTSA-N 0 0 225.332 2.106 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H](C1CC1)N2 ZINC000685963549 538910526 /nfs/dbraw/zinc/91/05/26/538910526.db2.gz SBWADEUROCLPFD-QWHCGFSZSA-N 0 0 203.285 2.103 10 0 BEAERN COC[C@@]1(C)[C@@H](C)C(=O)NC12CCCCC2 ZINC000685958459 538905937 /nfs/dbraw/zinc/90/59/37/538905937.db2.gz QEVVZFMJSXKVDU-JQWIXIFHSA-N 0 0 225.332 2.108 10 0 BEAERN CC[C@]1(COC)CC(=O)NC12CCCCC2 ZINC000685958941 538906226 /nfs/dbraw/zinc/90/62/26/538906226.db2.gz ILSZYIASCINPPD-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN CCC[C@]1(CC)CC(=O)NC12CCOCC2 ZINC000685958650 538906285 /nfs/dbraw/zinc/90/62/85/538906285.db2.gz CFCSAOJVJBUPDK-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN C[C@H]1C[C@@]2(CO1)CC(=O)NC21CCCCC1 ZINC000685958910 538906392 /nfs/dbraw/zinc/90/63/92/538906392.db2.gz IDCGORIZFDSFSQ-JQWIXIFHSA-N 0 0 223.316 2.004 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H](C1CC1)N2 ZINC000685963550 538910556 /nfs/dbraw/zinc/91/05/56/538910556.db2.gz SBWADEUROCLPFD-STQMWFEESA-N 0 0 203.285 2.103 10 0 BEAERN C[C@@H]1C[C@@H]1CNC(=O)NC1CCCCC1 ZINC000136005402 398136564 /nfs/dbraw/zinc/13/65/64/398136564.db2.gz GTCOQSMDCFNTQF-NXEZZACHSA-N 0 0 210.321 2.274 10 0 BEAERN CC[C@H](OC)[C@@H]1CC(=O)NC12CCCCC2 ZINC000685960022 538907220 /nfs/dbraw/zinc/90/72/20/538907220.db2.gz XOGLGGCGPXXBSU-QWRGUYRKSA-N 0 0 225.332 2.250 10 0 BEAERN CC(C)(C)OC(=O)NCC(=O)C[C@H]1CC1(F)F ZINC000685960700 538907865 /nfs/dbraw/zinc/90/78/65/538907865.db2.gz ZWNNXOVCMCVKTR-ZETCQYMHSA-N 0 0 249.257 2.126 10 0 BEAERN CC(=O)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000685961803 538908524 /nfs/dbraw/zinc/90/85/24/538908524.db2.gz OLLWYUZVZVRNGN-GHMZBOCLSA-N 0 0 239.315 2.435 10 0 BEAERN CCc1cccc2c1N[C@@H](C1CC1)[C@H](O)C2 ZINC000685963270 538909093 /nfs/dbraw/zinc/90/90/93/538909093.db2.gz KQTWZIGRJQOAQE-OCCSQVGLSA-N 0 0 217.312 2.357 10 0 BEAERN CC[C@@H]1Nc2ccc(OC)cc2C[C@@]1(C)O ZINC000685963292 538909640 /nfs/dbraw/zinc/90/96/40/538909640.db2.gz LIDPGLXEHGJWHE-QWHCGFSZSA-N 0 0 221.300 2.193 10 0 BEAERN Cc1cccc2c1N[C@@H](C(F)(F)F)[C@H](O)C2 ZINC000685962916 538909680 /nfs/dbraw/zinc/90/96/80/538909680.db2.gz ACZBLRZTVAVUSH-PSASIEDQSA-N 0 0 231.217 2.255 10 0 BEAERN O[C@H]1Cc2ccccc2N[C@@H]1CC1CC1 ZINC000685963043 538909684 /nfs/dbraw/zinc/90/96/84/538909684.db2.gz FLSLKYOLWUCKLO-OLZOCXBDSA-N 0 0 203.285 2.184 10 0 BEAERN CCc1nc2ccc(OC)cc2cc1NN ZINC000685963040 538909736 /nfs/dbraw/zinc/90/97/36/538909736.db2.gz FHUHTWLVAKXQFN-UHFFFAOYSA-N 0 0 217.272 2.091 10 0 BEAERN C[C@H]1C[C@@H]1CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000685962678 538909761 /nfs/dbraw/zinc/90/97/61/538909761.db2.gz OUYNJWDXDQIDRF-VHSXEESVSA-N 0 0 241.331 2.469 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccccc2C[C@@H]1O ZINC000685963006 538909887 /nfs/dbraw/zinc/90/98/87/538909887.db2.gz CZBBQHOHSNEHJK-XDTLVQLUSA-N 0 0 205.301 2.430 10 0 BEAERN NNc1cc2ccccc2nc1C(F)F ZINC000685963202 538909969 /nfs/dbraw/zinc/90/99/69/538909969.db2.gz JNAFVKBNKHMYLF-UHFFFAOYSA-N 0 0 209.199 2.458 10 0 BEAERN CCC[C@@H]1Nc2ccc(OC)cc2C[C@@H]1O ZINC000685963471 538910033 /nfs/dbraw/zinc/91/00/33/538910033.db2.gz PBIRPYWPWCICBL-STQMWFEESA-N 0 0 221.300 2.193 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@H](C1CCC1)N2 ZINC000685963496 538910078 /nfs/dbraw/zinc/91/00/78/538910078.db2.gz QHHCEFUELVVVOQ-KGLIPLIRSA-N 0 0 217.312 2.493 10 0 BEAERN CCC[C@@H]1Nc2cccc(OC)c2C[C@@H]1O ZINC000685963104 538910264 /nfs/dbraw/zinc/91/02/64/538910264.db2.gz GKUVLXOLCIFGSL-RYUDHWBXSA-N 0 0 221.300 2.193 10 0 BEAERN O[C@@H]1Cc2ccccc2N[C@H]1C1CCC1 ZINC000685963210 538910289 /nfs/dbraw/zinc/91/02/89/538910289.db2.gz JNZSVGZXGGGYOX-OLZOCXBDSA-N 0 0 203.285 2.184 10 0 BEAERN CCc1ccc2c(c1)C[C@H](O)[C@H](C(F)F)N2 ZINC000685963708 538910348 /nfs/dbraw/zinc/91/03/48/538910348.db2.gz VXONGRGMKSSOQC-WDEREUQCSA-N 0 0 227.254 2.212 10 0 BEAERN CC[C@H](CC(C)C)c1n[nH]nc1C(=O)OC ZINC000685953091 538896700 /nfs/dbraw/zinc/89/67/00/538896700.db2.gz FWHDGXPNQLRQNU-MRVPVSSYSA-N 0 0 225.292 2.131 10 0 BEAERN CCC[C@@H]1Nc2c(cccc2OC)C[C@H]1O ZINC000685963913 538910703 /nfs/dbraw/zinc/91/07/03/538910703.db2.gz ZJVPXHSSSNFSSW-WDEREUQCSA-N 0 0 221.300 2.193 10 0 BEAERN CCC[C@H]1Nc2c(cccc2OC)C[C@H]1O ZINC000685963910 538910761 /nfs/dbraw/zinc/91/07/61/538910761.db2.gz ZJVPXHSSSNFSSW-GHMZBOCLSA-N 0 0 221.300 2.193 10 0 BEAERN CC[C@@H](C)n1cc2c(n1)[C@@H](C)[N-]C(=S)O2 ZINC000685965943 538910980 /nfs/dbraw/zinc/91/09/80/538910980.db2.gz ZWVALEULAZFPCY-RNFRBKRXSA-N 0 0 225.317 2.182 10 0 BEAERN Nc1cn(Cc2ccc(Cl)cc2F)cn1 ZINC000685964273 538910991 /nfs/dbraw/zinc/91/09/91/538910991.db2.gz CFPHFZYARPPCEW-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CCC(CC)n1cc2c(n1)[C@@H](C)NC(=O)O2 ZINC000685965413 538911730 /nfs/dbraw/zinc/91/17/30/538911730.db2.gz CRHDQIHUXVCJPV-SSDOTTSWSA-N 0 0 223.276 2.407 10 0 BEAERN CC[C@@H](C)n1cc2c(n1)[C@H](C)NC(=O)O2 ZINC000685965599 538911888 /nfs/dbraw/zinc/91/18/88/538911888.db2.gz KZNQUVOLXMVHDI-RQJHMYQMSA-N 0 0 209.249 2.017 10 0 BEAERN CCSCCn1cc2ccc(N)cc2n1 ZINC000685965445 538912126 /nfs/dbraw/zinc/91/21/26/538912126.db2.gz DUPSCQLQXOAPNS-UHFFFAOYSA-N 0 0 221.329 2.372 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@H](C)Cn1cccn1 ZINC000042541467 177951786 /nfs/dbraw/zinc/95/17/86/177951786.db2.gz DOHKLKAKQUNFLT-LLVKDONJSA-N 0 0 231.299 2.375 10 0 BEAERN C[C@@H]1SCC[C@@]1(O)C(F)(F)Br ZINC000235346902 398143668 /nfs/dbraw/zinc/14/36/68/398143668.db2.gz YGVUKWBSEVHBSY-WHFBIAKZSA-N 0 0 247.104 2.231 10 0 BEAERN NC(=O)N1CC[C@@H](c2cccc3cnccc32)C1 ZINC000616612084 349484722 /nfs/dbraw/zinc/48/47/22/349484722.db2.gz MXCIPJUNNBDUKC-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN CCC(CC)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000040634457 168335956 /nfs/dbraw/zinc/33/59/56/168335956.db2.gz MOHUCFNJWQQFIE-UWVGGRQHSA-N 0 0 213.321 2.058 10 0 BEAERN Cc1cc(C[NH2+]CCC(=O)[O-])c(C)n1C(C)C ZINC000107291319 178020382 /nfs/dbraw/zinc/02/03/82/178020382.db2.gz JDSWGQDEIQFLRL-UHFFFAOYSA-N 0 0 238.331 2.250 10 0 BEAERN Cc1cc(CNCc2cc(C)n(C)c2C)no1 ZINC000052790519 178024536 /nfs/dbraw/zinc/02/45/36/178024536.db2.gz BPGTXNZESPFHHL-UHFFFAOYSA-N 0 0 233.315 2.228 10 0 BEAERN Cc1cc(CNc2ccnc(C3CC3)n2)on1 ZINC000112076698 178044537 /nfs/dbraw/zinc/04/45/37/178044537.db2.gz CFHPUOQWSLANRI-UHFFFAOYSA-N 0 0 230.271 2.263 10 0 BEAERN Cc1cc(CO)ccc1N1CCC[C@@H]1CCCO ZINC000052761092 178045753 /nfs/dbraw/zinc/04/57/53/178045753.db2.gz XIHUASPWRNMLBI-CQSZACIVSA-N 0 0 249.354 2.229 10 0 BEAERN Cc1cc(CO)nc(-c2cc(F)ccc2C)n1 ZINC000054830331 178046209 /nfs/dbraw/zinc/04/62/09/178046209.db2.gz SCTZOZIFNMZBMT-UHFFFAOYSA-N 0 0 232.258 2.392 10 0 BEAERN Cc1cc(COc2cccc(N)c2)no1 ZINC000038055308 178048850 /nfs/dbraw/zinc/04/88/50/178048850.db2.gz HONGHXFDUKWBPK-UHFFFAOYSA-N 0 0 204.229 2.144 10 0 BEAERN Cc1cc(COc2ccccc2N)no1 ZINC000038056073 178050209 /nfs/dbraw/zinc/05/02/09/178050209.db2.gz ZNISIRQFDOGTPG-UHFFFAOYSA-N 0 0 204.229 2.144 10 0 BEAERN Cc1cc(CSc2ccncc2N)no1 ZINC000037190162 178053825 /nfs/dbraw/zinc/05/38/25/178053825.db2.gz RSWLGZIXTOJJOF-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Brc1ccoc1[C@H]1NCCS1 ZINC000232457265 398181245 /nfs/dbraw/zinc/18/12/45/398181245.db2.gz DSGPOSJCLFRMBC-ZETCQYMHSA-N 0 0 234.118 2.377 10 0 BEAERN COc1cc(OC(F)F)cc(C#N)c1C ZINC000575639879 398161566 /nfs/dbraw/zinc/16/15/66/398161566.db2.gz CJHBWORHXPADRD-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CN1CC[C@H](c2ccnc(N)c2)c2ccccc21 ZINC000616588943 349513656 /nfs/dbraw/zinc/51/36/56/349513656.db2.gz DKMPMDHNAUDJRN-GFCCVEGCSA-N 0 0 239.322 2.466 10 0 BEAERN Cc1cc(Cl)nc(Cc2ccncc2)n1 ZINC000053133891 178071056 /nfs/dbraw/zinc/07/10/56/178071056.db2.gz SIKHYORDXHHZFO-UHFFFAOYSA-N 0 0 219.675 2.424 10 0 BEAERN Cc1cc(F)ccc1CNc1cn[nH]c1 ZINC000050569321 178086913 /nfs/dbraw/zinc/08/69/13/178086913.db2.gz QHCBTMVBKJMMBK-UHFFFAOYSA-N 0 0 205.236 2.469 10 0 BEAERN CCC(C)(C)CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000073136851 398193467 /nfs/dbraw/zinc/19/34/67/398193467.db2.gz HLWQWECWALADBP-QWRGUYRKSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1cc(N(C)CCc2ccncc2)nnc1C ZINC000302268747 178098214 /nfs/dbraw/zinc/09/82/14/178098214.db2.gz GCZJAOILMGBESA-UHFFFAOYSA-N 0 0 242.326 2.167 10 0 BEAERN Cc1cc(N)c(NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC000050438980 178104176 /nfs/dbraw/zinc/10/41/76/178104176.db2.gz LPVGCHXHMDIPBM-UWVGGRQHSA-N 0 0 218.300 2.480 10 0 BEAERN Cc1cc(N)ccc1N(C)C[C@@H]1CCCO1 ZINC000058681463 178105067 /nfs/dbraw/zinc/10/50/67/178105067.db2.gz PKPNCRYEJKLLMR-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000022143148 178105214 /nfs/dbraw/zinc/10/52/14/178105214.db2.gz ALYWWYKQIUHDID-XVKPBYJWSA-N 0 0 204.273 2.172 10 0 BEAERN Cc1cc(N)ccc1C(=O)N1CCC[C@H]1C ZINC000044748512 178105621 /nfs/dbraw/zinc/10/56/21/178105621.db2.gz SOAZKZXIABTNEQ-SNVBAGLBSA-N 0 0 218.300 2.202 10 0 BEAERN Cc1cc(N)ccc1Oc1ccccc1C(N)=O ZINC000034978404 178106359 /nfs/dbraw/zinc/10/63/59/178106359.db2.gz GWQMAHWDGCBAMQ-UHFFFAOYSA-N 0 0 242.278 2.468 10 0 BEAERN Cc1cc(N)ccc1N[C@H](C)Cn1ccnc1 ZINC000049234745 178107513 /nfs/dbraw/zinc/10/75/13/178107513.db2.gz MGYUHPYDRZVBRB-LLVKDONJSA-N 0 0 230.315 2.274 10 0 BEAERN Cc1cc(N)nc(Nc2cc(Cl)ccn2)n1 ZINC000074934126 178110072 /nfs/dbraw/zinc/11/00/72/178110072.db2.gz LRNODHXFQIBZGC-UHFFFAOYSA-N 0 0 235.678 2.159 10 0 BEAERN Cc1cc(N)nn1-c1cccc(Cl)c1 ZINC000054404735 178111184 /nfs/dbraw/zinc/11/11/84/178111184.db2.gz SWIDUGSHKPXBPE-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1cc(N)nn1[C@H](C)c1ccccc1 ZINC000067799400 178111663 /nfs/dbraw/zinc/11/16/63/178111663.db2.gz MSNRWISJWXQWDX-SNVBAGLBSA-N 0 0 201.273 2.383 10 0 BEAERN Cc1cc(N2C[C@H]3CC=CC[C@@H]3C2)ncn1 ZINC000301458032 178121778 /nfs/dbraw/zinc/12/17/78/178121778.db2.gz ZHBCDCWFJNWEDW-VXGBXAGGSA-N 0 0 215.300 2.187 10 0 BEAERN COc1ccc(-c2nc(N)sc2C=O)cc1 ZINC000141786416 343983132 /nfs/dbraw/zinc/98/31/32/343983132.db2.gz PMUUFPUVPIEDPD-UHFFFAOYSA-N 0 0 234.280 2.213 10 0 BEAERN CCOC(=O)c1ccc(C(=O)C2CCC2)o1 ZINC000261173329 398205927 /nfs/dbraw/zinc/20/59/27/398205927.db2.gz GQLDVFVSKZLWFC-UHFFFAOYSA-N 0 0 222.240 2.439 10 0 BEAERN Cc1cc(NC(=O)c2ccc(C)c(N)c2)on1 ZINC000019262575 178149909 /nfs/dbraw/zinc/14/99/09/178149909.db2.gz JQBTWZDTOQXUPD-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2ccc(N)c(C)c2)on1 ZINC000019273899 178149975 /nfs/dbraw/zinc/14/99/75/178149975.db2.gz KHCUAMCZHLCZFQ-UHFFFAOYSA-N 0 0 231.255 2.126 10 0 BEAERN Cc1cc(NC(=O)c2ccsc2)ncc1N ZINC000041040667 178151152 /nfs/dbraw/zinc/15/11/52/178151152.db2.gz NGDCPMDHMLHNSW-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1cc(NC(=O)c2ccnc(Cl)c2)on1 ZINC000019813639 178151294 /nfs/dbraw/zinc/15/12/94/178151294.db2.gz QIKGOUVAWYYFNB-UHFFFAOYSA-N 0 0 237.646 2.284 10 0 BEAERN Cc1cc(NC(=O)c2cccs2)ncc1N ZINC000041040654 178151923 /nfs/dbraw/zinc/15/19/23/178151923.db2.gz RRJAJCROMCWGMN-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1cc(NCC[C@H]2CCCO2)nc(Cl)n1 ZINC000052814868 178162951 /nfs/dbraw/zinc/16/29/51/178162951.db2.gz NBYJSMYLYAAPEW-SECBINFHSA-N 0 0 241.722 2.419 10 0 BEAERN Cc1cc2ncnn2c(NCCc2ccco2)c1 ZINC000037979411 178163350 /nfs/dbraw/zinc/16/33/50/178163350.db2.gz VJMAUYXMOHHWEI-UHFFFAOYSA-N 0 0 242.282 2.285 10 0 BEAERN Cc1cc(NC[C@@H]2CCCO2)nc(Cl)n1 ZINC000052814289 178167260 /nfs/dbraw/zinc/16/72/60/178167260.db2.gz SWJSYOFZQUCTMB-QMMMGPOBSA-N 0 0 227.695 2.029 10 0 BEAERN Cc1cc(N[C@H]2CCC[C@H]2O)ccc1F ZINC000061097172 178188384 /nfs/dbraw/zinc/18/83/84/178188384.db2.gz NLJAVCYXXWFKKR-NWDGAFQWSA-N 0 0 209.264 2.459 10 0 BEAERN Cc1cc(NC[C@H]2CCCO2)ccc1N ZINC000035277822 178169451 /nfs/dbraw/zinc/16/94/51/178169451.db2.gz UTPJXUKIEOPLIN-LLVKDONJSA-N 0 0 206.289 2.168 10 0 BEAERN Cc1cc(NC[C@H]2CCCO2)nc(Cl)n1 ZINC000052814290 178169879 /nfs/dbraw/zinc/16/98/79/178169879.db2.gz SWJSYOFZQUCTMB-MRVPVSSYSA-N 0 0 227.695 2.029 10 0 BEAERN Cc1cc(NN)c2ccc(C)c(C)c2n1 ZINC000032099455 178176159 /nfs/dbraw/zinc/17/61/59/178176159.db2.gz JXUBECGWUQLFMI-UHFFFAOYSA-N 0 0 201.273 2.446 10 0 BEAERN Cc1cc(=NN)[nH]c2c(Cl)cccc12 ZINC000040175128 178177617 /nfs/dbraw/zinc/17/76/17/178177617.db2.gz LBFISNHIBAIRMV-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN Cc1cc(N[C@@H](C)[C@@H]2CCCO2)nc(Cl)n1 ZINC000052814368 178178295 /nfs/dbraw/zinc/17/82/95/178178295.db2.gz ZOXYHOJNXLGLLI-IUCAKERBSA-N 0 0 241.722 2.418 10 0 BEAERN Cc1cc(N[C@@H](C)[C@H]2CCCO2)nc(C)n1 ZINC000037500233 178179147 /nfs/dbraw/zinc/17/91/47/178179147.db2.gz NRDJBUNHBFEILD-GXSJLCMTSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(N[C@@H](C)[C@H]2CCCO2)nc(Cl)n1 ZINC000052814370 178179210 /nfs/dbraw/zinc/17/92/10/178179210.db2.gz ZOXYHOJNXLGLLI-DTWKUNHWSA-N 0 0 241.722 2.418 10 0 BEAERN Cc1cc(N[C@@H](C)c2ccncc2)ncn1 ZINC000040727175 178179924 /nfs/dbraw/zinc/17/99/24/178179924.db2.gz XIFMVQOLLPRIKD-JTQLQIEISA-N 0 0 214.272 2.353 10 0 BEAERN C[C@H]1CC[C@H]1Nc1ncnc(Cl)c1C=O ZINC000306859975 398223187 /nfs/dbraw/zinc/22/31/87/398223187.db2.gz DKXPSKJHWZGVKZ-POYBYMJQSA-N 0 0 225.679 2.153 10 0 BEAERN Cc1cc(Nc2ncc(N)cn2)ccc1F ZINC000061099967 178193547 /nfs/dbraw/zinc/19/35/47/178193547.db2.gz HXBPOWZPBLZGAT-UHFFFAOYSA-N 0 0 218.235 2.250 10 0 BEAERN Cc1cc(O)ccc1NCc1ncc[nH]1 ZINC000070634886 178201577 /nfs/dbraw/zinc/20/15/77/178201577.db2.gz IRMPGHJOXFXHST-UHFFFAOYSA-N 0 0 203.245 2.036 10 0 BEAERN Cc1ccc(Cl)c(NC[C@@H](O)CF)c1 ZINC000306641579 361754511 /nfs/dbraw/zinc/75/45/11/361754511.db2.gz QYZNXCAEGDKFBE-QMMMGPOBSA-N 0 0 217.671 2.391 10 0 BEAERN Cc1cc(OC2CC2)cc(C(=O)N(C)C)c1 ZINC000095721217 178208786 /nfs/dbraw/zinc/20/87/86/178208786.db2.gz GNBXTUYNKRAJRQ-UHFFFAOYSA-N 0 0 219.284 2.238 10 0 BEAERN Cc1cc([C@@H]([NH3+])CCC(=O)[O-])c(C)s1 ZINC000020431553 178236078 /nfs/dbraw/zinc/23/60/78/178236078.db2.gz LBKCBQIMNSYOTM-VIFPVBQESA-N 0 0 213.302 2.230 10 0 BEAERN Cc1cc([C@H]([NH3+])CCC(=O)[O-])c(C)s1 ZINC000020431554 178263431 /nfs/dbraw/zinc/26/34/31/178263431.db2.gz LBKCBQIMNSYOTM-SECBINFHSA-N 0 0 213.302 2.230 10 0 BEAERN Cc1cc2c(cc1C(F)(F)F)nc[nH]c2=O ZINC000044139444 178276298 /nfs/dbraw/zinc/27/62/98/178276298.db2.gz AJEPXJKTJFGWOE-UHFFFAOYSA-N 0 0 228.173 2.250 10 0 BEAERN Cc1cc2c(ccnc2N(CCO)C2CCC2)o1 ZINC000302583309 178278003 /nfs/dbraw/zinc/27/80/03/178278003.db2.gz ULEYFOQDZTWDMT-UHFFFAOYSA-N 0 0 246.310 2.487 10 0 BEAERN Cc1cc2c(nc(C[C@H]3CCCO3)nc2N)s1 ZINC000070156280 178279682 /nfs/dbraw/zinc/27/96/82/178279682.db2.gz PPHGNWQUFHJSJH-MRVPVSSYSA-N 0 0 249.339 2.303 10 0 BEAERN Cc1cc2c(cc1Cl)O[C@@H](C)C(=O)N2 ZINC000062525405 178288388 /nfs/dbraw/zinc/28/83/88/178288388.db2.gz AQMBAGVMHCADRH-LURJTMIESA-N 0 0 211.648 2.368 10 0 BEAERN Cc1cc2ccccc2nc1CCCO ZINC000039105033 178299303 /nfs/dbraw/zinc/29/93/03/178299303.db2.gz XKDNGHDSKMOYHI-UHFFFAOYSA-N 0 0 201.269 2.468 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000076879067 398248883 /nfs/dbraw/zinc/24/88/83/398248883.db2.gz KFUJWDKKYHZHKA-JLLWLGSASA-N 0 0 231.295 2.077 10 0 BEAERN Cc1cc2nc(N)c(=S)[nH]c2cc1C ZINC000075606477 178301917 /nfs/dbraw/zinc/30/19/17/178301917.db2.gz JDKBBHPCMOLQGF-UHFFFAOYSA-N 0 0 205.286 2.118 10 0 BEAERN Cc1cc2nc(Cn3cc(N)cn3)[nH]c2cc1C ZINC000051848084 178302863 /nfs/dbraw/zinc/30/28/63/178302863.db2.gz WNITVUNJSHEOKI-UHFFFAOYSA-N 0 0 241.298 2.007 10 0 BEAERN Cc1cc2c(n1Cc1ccnn1C)CCCC2=O ZINC000071334943 178293347 /nfs/dbraw/zinc/29/33/47/178293347.db2.gz NMKGYIKMMZOGCW-UHFFFAOYSA-N 0 0 243.310 2.097 10 0 BEAERN Cc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000016857687 178318284 /nfs/dbraw/zinc/31/82/84/178318284.db2.gz SRJAKPZQIWUJKE-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN Cc1ccc(-c2nc3c(c(NN)[nH+]2)CCC3)cc1 ZINC000051152040 178337268 /nfs/dbraw/zinc/33/72/68/178337268.db2.gz YKXBCGRMHVTCMN-UHFFFAOYSA-N 0 0 240.310 2.226 10 0 BEAERN Cc1ccc(-c2nn(C)cc2C=O)cc1 ZINC000031885588 178339485 /nfs/dbraw/zinc/33/94/85/178339485.db2.gz IBUHXEBPFFEKQS-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN Cc1ccc(-c2nnc([C@@H](C)N)o2)s1 ZINC000050284186 178340848 /nfs/dbraw/zinc/34/08/48/178340848.db2.gz WFPWYVPGOZYNEN-ZCFIWIBFSA-N 0 0 209.274 2.126 10 0 BEAERN Cc1ccc(-c2nsc(N)n2)c(C)c1 ZINC000036753329 178345048 /nfs/dbraw/zinc/34/50/48/178345048.db2.gz VJSAMMBHEPZTPK-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1nn(-c2ccc(C)cc2C)c2[nH]nc(N)c12 ZINC000111469156 178348186 /nfs/dbraw/zinc/34/81/86/178348186.db2.gz HBJWEXNQDQBCJY-UHFFFAOYSA-N 0 0 241.298 2.256 10 0 BEAERN Cc1ncc(-c2ccc(C)nc2C)n1C ZINC000039105048 178328619 /nfs/dbraw/zinc/32/86/19/178328619.db2.gz AFCWPYTUDIHBIT-UHFFFAOYSA-N 0 0 201.273 2.407 10 0 BEAERN Cc1ccc(-c2cnc(CN)o2)cc1C ZINC000011586988 178329258 /nfs/dbraw/zinc/32/92/58/178329258.db2.gz HTRDDKCOHJQGBQ-UHFFFAOYSA-N 0 0 202.257 2.417 10 0 BEAERN Cc1ccc(-c2cnc3n2CCNC3)cc1C ZINC000082351639 178329546 /nfs/dbraw/zinc/32/95/46/178329546.db2.gz HJLMXMRLNPAYRL-UHFFFAOYSA-N 0 0 227.311 2.270 10 0 BEAERN c1ccc2c(c1)NCC[C@@H]2c1ccnnc1 ZINC000616589285 349551757 /nfs/dbraw/zinc/55/17/57/349551757.db2.gz KUTKCQXYLGHULX-LLVKDONJSA-N 0 0 211.268 2.424 10 0 BEAERN OCC[C@H]1CCN(c2ncc(Cl)cc2F)C1 ZINC000162089288 349561639 /nfs/dbraw/zinc/56/16/39/349561639.db2.gz HNSGPDNNDGOPBA-MRVPVSSYSA-N 0 0 244.697 2.083 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)CC2CCCC2)O1 ZINC000151079286 323007801 /nfs/dbraw/zinc/00/78/01/323007801.db2.gz RZXXQTAGGKIFRC-JQWIXIFHSA-N 0 0 225.332 2.203 10 0 BEAERN Cc1ccc(C(=O)N2CCCCC2)c(C)n1 ZINC000048369352 178385573 /nfs/dbraw/zinc/38/55/73/178385573.db2.gz FELAOHDGACZFFO-UHFFFAOYSA-N 0 0 218.300 2.325 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1ccnc(N)c1 ZINC000616612735 349573566 /nfs/dbraw/zinc/57/35/66/349573566.db2.gz NBJBYWTWKASFBT-LLVKDONJSA-N 0 0 249.314 2.178 10 0 BEAERN CCC(CC)N(CCO)C(=O)c1occc1C ZINC000042506472 168373787 /nfs/dbraw/zinc/37/37/87/168373787.db2.gz MDDIZFFDRSGBAS-UHFFFAOYSA-N 0 0 239.315 2.211 10 0 BEAERN Cc1ccc(C(=O)CN2CCO[C@H](C)C2)cc1C ZINC000037332727 178373444 /nfs/dbraw/zinc/37/34/44/178373444.db2.gz SSCMGTJDJMGEGB-CYBMUJFWSA-N 0 0 247.338 2.207 10 0 BEAERN Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C)c(C)c1 ZINC000296201123 178390990 /nfs/dbraw/zinc/39/09/90/178390990.db2.gz VKIQVCMUYMSDPZ-OCCSQVGLSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@H](c1ccsc1)n1c(N)n[nH]c1=S ZINC000070882043 361833613 /nfs/dbraw/zinc/83/36/13/361833613.db2.gz DKMZGSNTRINZNV-RXMQYKEDSA-N 0 0 226.330 2.194 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccco1 ZINC000036383042 538960022 /nfs/dbraw/zinc/96/00/22/538960022.db2.gz RFELWHKRGZUQGQ-QMMMGPOBSA-N 0 0 239.271 2.376 10 0 BEAERN CC(=O)[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000405571537 538960490 /nfs/dbraw/zinc/96/04/90/538960490.db2.gz BHFXTRVWKGWHNU-MWLCHTKSSA-N 0 0 241.331 2.469 10 0 BEAERN CC(C)(C)OC(=O)NCC(=O)CC1CCC1 ZINC000405595252 538960528 /nfs/dbraw/zinc/96/05/28/538960528.db2.gz KLYXQZRFLMOVSP-UHFFFAOYSA-N 0 0 227.304 2.270 10 0 BEAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)C1CC1 ZINC000405702933 538961062 /nfs/dbraw/zinc/96/10/62/538961062.db2.gz IBJULIJYZJDDHH-UHFFFAOYSA-N 0 0 227.304 2.269 10 0 BEAERN C[C@@]12CCC(=O)N1[C@@H](c1ccccc1)CO2 ZINC000001081375 342697254 /nfs/dbraw/zinc/69/72/54/342697254.db2.gz JVEHIYMWPAQEIR-DGCLKSJQSA-N 0 0 217.268 2.097 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181946277 538961349 /nfs/dbraw/zinc/96/13/49/538961349.db2.gz SQUICFVWMXPAAK-WRWORJQWSA-N 0 0 232.258 2.445 10 0 BEAERN CC(C)C(=O)O[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005452649 342707299 /nfs/dbraw/zinc/70/72/99/342707299.db2.gz AKINKDOLVIOTCB-NEPJUHHUSA-N 0 0 225.332 2.203 10 0 BEAERN CC1(C)OC(=O)C=C(c2ccccc2)O1 ZINC000000085276 398277200 /nfs/dbraw/zinc/27/72/00/398277200.db2.gz XVDIUPDVIULPMF-UHFFFAOYSA-N 0 0 204.225 2.337 10 0 BEAERN O=Cc1cnc(NCc2cncc(F)c2)c(F)c1 ZINC000199822581 342716515 /nfs/dbraw/zinc/71/65/15/342716515.db2.gz NFAWHMIJTKWZAY-UHFFFAOYSA-N 0 0 249.220 2.179 10 0 BEAERN Nc1cnc(Cl)nc1NC1CCCCC1 ZINC000004243267 342745278 /nfs/dbraw/zinc/74/52/78/342745278.db2.gz AMLMGZLKACUGDC-UHFFFAOYSA-N 0 0 226.711 2.457 10 0 BEAERN Cn1cnc(-c2ccc(O)c(Cl)c2)c1 ZINC000306652280 361863181 /nfs/dbraw/zinc/86/31/81/361863181.db2.gz GKMBDEFOOBBEDC-UHFFFAOYSA-N 0 0 208.648 2.446 10 0 BEAERN CC(C)(CO)c1nc2c(ncnc2Cl)s1 ZINC000306657317 361867546 /nfs/dbraw/zinc/86/75/46/361867546.db2.gz HULQLLMEFVORDL-UHFFFAOYSA-N 0 0 243.719 2.010 10 0 BEAERN CN(C)c1nc(-c2ccccc2)ncc1C=O ZINC000090669458 398279910 /nfs/dbraw/zinc/27/99/10/398279910.db2.gz IBEUKOQSGLVFHF-UHFFFAOYSA-N 0 0 227.267 2.022 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)NC2(CO)CC2)CC(C)(C)C1 ZINC000182898822 538964860 /nfs/dbraw/zinc/96/48/60/538964860.db2.gz FQKUQSQSBRZJGL-GHMZBOCLSA-N 0 0 239.359 2.090 10 0 BEAERN C/C(=N\N)c1ccc(Br)cc1 ZINC000004964154 398280064 /nfs/dbraw/zinc/28/00/64/398280064.db2.gz IOXMREMFDKRHLD-IZZDOVSWSA-N 0 0 213.078 2.132 10 0 BEAERN CCC(CC)NC(=O)c1cc(C)ccc1N ZINC000053000199 168384965 /nfs/dbraw/zinc/38/49/65/168384965.db2.gz TVYVQUUYLKWYMS-UHFFFAOYSA-N 0 0 220.316 2.496 10 0 BEAERN CCC[C@H]1CCCCN1C(=O)[C@@H](C)COC ZINC000183067759 538965699 /nfs/dbraw/zinc/96/56/99/538965699.db2.gz SYAYIEBRGGSXCI-RYUDHWBXSA-N 0 0 227.348 2.450 10 0 BEAERN CCCCN(CCCO)C(=O)N[C@H](C)C(C)C ZINC000183185048 538965739 /nfs/dbraw/zinc/96/57/39/538965739.db2.gz TXFXIOBXVZGJMA-GFCCVEGCSA-N 0 0 244.379 2.225 10 0 BEAERN CCc1c(O)[nH]c2c(C)cccc2c1=O ZINC000003944998 342739733 /nfs/dbraw/zinc/73/97/33/342739733.db2.gz APBVXIZMYHJBKW-UHFFFAOYSA-N 0 0 203.241 2.105 10 0 BEAERN CCC(CC)NC(=O)c1cc(OC)ccc1N ZINC000037846656 168385792 /nfs/dbraw/zinc/38/57/92/168385792.db2.gz KMJADXKWIYDRQG-UHFFFAOYSA-N 0 0 236.315 2.196 10 0 BEAERN C[C@H](Nc1ccc(Cl)nn1)[C@H]1CCCO1 ZINC000035735349 342757647 /nfs/dbraw/zinc/75/76/47/342757647.db2.gz XGXOFRQUMDLCEZ-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN COc1ccccc1/C=C/COC(C)=O ZINC000147574723 342778034 /nfs/dbraw/zinc/77/80/34/342778034.db2.gz MZCITWGLXKYOGE-FNORWQNLSA-N 0 0 206.241 2.272 10 0 BEAERN COCCOc1cccc2cnccc21 ZINC000145247830 342760487 /nfs/dbraw/zinc/76/04/87/342760487.db2.gz SLMFJZNHBGTFNU-UHFFFAOYSA-N 0 0 203.241 2.260 10 0 BEAERN O=C1c2ccccc2S(=O)c2ccccc21 ZINC000005410950 342763309 /nfs/dbraw/zinc/76/33/09/342763309.db2.gz YEZOVIIHKKPUOS-UHFFFAOYSA-N 0 0 228.272 2.398 10 0 BEAERN O=C([O-])[C@H]1CC[N@@H+]1[C@@H](c1ccccc1)C1CC1 ZINC000006475773 342778207 /nfs/dbraw/zinc/77/82/07/342778207.db2.gz IGZBEONIJJAHDG-OLZOCXBDSA-N 0 0 231.295 2.297 10 0 BEAERN O=c1c2ccsc2ncn1CC(F)(F)F ZINC000145944765 342764626 /nfs/dbraw/zinc/76/46/26/342764626.db2.gz GIMKXAUEENEIAZ-UHFFFAOYSA-N 0 0 234.202 2.020 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1F ZINC000075524585 178434270 /nfs/dbraw/zinc/43/42/70/178434270.db2.gz LGGIIAHVLCNTAE-KCJUWKMLSA-N 0 0 207.248 2.272 10 0 BEAERN CCc1cc(C2CC2)cc(C=O)c1OCCO ZINC000146335571 342768205 /nfs/dbraw/zinc/76/82/05/342768205.db2.gz JAPOAMCTUCHLET-UHFFFAOYSA-N 0 0 234.295 2.310 10 0 BEAERN Cc1sc(=O)n(CC(=O)C(C)(C)C)c1C ZINC000070915312 361881532 /nfs/dbraw/zinc/88/15/32/361881532.db2.gz DVDAGTZAFDLCCR-UHFFFAOYSA-N 0 0 227.329 2.142 10 0 BEAERN COC(=O)CSC(=S)c1ccccc1 ZINC000146640889 342770074 /nfs/dbraw/zinc/77/00/74/342770074.db2.gz UTUVQTIFVPMOCQ-UHFFFAOYSA-N 0 0 226.322 2.268 10 0 BEAERN N[C@@H](Cc1ccccc1Cl)C(F)F ZINC000214681620 342770101 /nfs/dbraw/zinc/77/01/01/342770101.db2.gz ABDLSPXLHBJAPL-QMMMGPOBSA-N 0 0 205.635 2.475 10 0 BEAERN Brc1csc(N2C[C@@H]3C[C@@H]3C2)n1 ZINC000146838074 342772231 /nfs/dbraw/zinc/77/22/31/342772231.db2.gz GTWQDMPRIJBDLI-OLQVQODUSA-N 0 0 245.145 2.362 10 0 BEAERN Cc1cc(O)c2c(O)c(C)c(=O)c(C)c-2o1 ZINC000006069566 342773318 /nfs/dbraw/zinc/77/33/18/342773318.db2.gz ODNMTIVRLHXQTE-UHFFFAOYSA-N 0 0 220.224 2.129 10 0 biogenic,in-vitro BEAERN Cc1[nH]nc(N)c1-c1c(F)cccc1F ZINC000084933191 342774523 /nfs/dbraw/zinc/77/45/23/342774523.db2.gz CGOJSQSJTKVMKB-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN O=C([O-])[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000008698867 342802363 /nfs/dbraw/zinc/80/23/63/342802363.db2.gz LWQZLYKNHGMXSX-GHMZBOCLSA-N 0 0 239.340 2.481 10 0 BEAERN Clc1ccc(NC2=NC=NC3=NC=N[C@@H]32)cc1 ZINC000006535937 342779112 /nfs/dbraw/zinc/77/91/12/342779112.db2.gz YZJXGTZAHGFWPJ-VIFPVBQESA-N 0 0 245.673 2.001 10 0 BEAERN Nc1ccc2c(cnn2Cc2ccc(F)nc2)c1 ZINC000149081697 342792833 /nfs/dbraw/zinc/79/28/33/342792833.db2.gz NQTBNULNOZQZCQ-UHFFFAOYSA-N 0 0 242.257 2.201 10 0 BEAERN Cc1cc(O)ccc1-c1c(C)nnc2nccn21 ZINC000149556153 342794282 /nfs/dbraw/zinc/79/42/82/342794282.db2.gz IVYHMECDUYDNRJ-UHFFFAOYSA-N 0 0 240.266 2.114 10 0 BEAERN COC(=O)c1ccc(C2CC2)c(Cl)n1 ZINC000150196271 342798774 /nfs/dbraw/zinc/79/87/74/342798774.db2.gz NAZBQPIKVFWWRR-UHFFFAOYSA-N 0 0 211.648 2.399 10 0 BEAERN CCCOc1ccc(C(=O)CCC(=O)NC)cc1 ZINC000045163544 342799258 /nfs/dbraw/zinc/79/92/58/342799258.db2.gz AMLSTYXZSXWHCY-UHFFFAOYSA-N 0 0 249.310 2.184 10 0 BEAERN CO[C@H](c1nc(N)c(C)s1)C(C)C ZINC000158966934 346861989 /nfs/dbraw/zinc/86/19/89/346861989.db2.gz ICDDAWIACCJUCG-ZETCQYMHSA-N 0 0 200.307 2.377 10 0 BEAERN CCOC(=O)c1ccc([C@H](O)C2CC2)cc1 ZINC000118433420 342816549 /nfs/dbraw/zinc/81/65/49/342816549.db2.gz HOUOXHSUQWJJMW-GFCCVEGCSA-N 0 0 220.268 2.307 10 0 BEAERN Cn1ccnc1Sc1cccc(O)c1 ZINC000127043746 342816562 /nfs/dbraw/zinc/81/65/62/342816562.db2.gz KTUBSQSRZRLDQM-UHFFFAOYSA-N 0 0 206.270 2.277 10 0 BEAERN CCC(CC)Nc1ccc2c(c1)C(=O)NC2=O ZINC000019966474 168394084 /nfs/dbraw/zinc/39/40/84/168394084.db2.gz JTNBMLNCMVCLNG-UHFFFAOYSA-N 0 0 232.283 2.171 10 0 BEAERN CCc1cnccc1-c1nc(N)cs1 ZINC000131843361 342807281 /nfs/dbraw/zinc/80/72/81/342807281.db2.gz SLBDZIFLGGHSGD-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000190681777 538990395 /nfs/dbraw/zinc/99/03/95/538990395.db2.gz URJZPFCRJXCIQQ-AAEUAGOBSA-N 0 0 239.359 2.450 10 0 BEAERN CCOC(=O)[C@]1(CC)O[C@]12CCC[C@H]1C[C@H]12 ZINC000380858564 538993640 /nfs/dbraw/zinc/99/36/40/538993640.db2.gz IEPOUPJDMDXFKL-LFSVMHDDSA-N 0 0 224.300 2.287 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCC1(C)CCCC1 ZINC000191519631 538992350 /nfs/dbraw/zinc/99/23/50/538992350.db2.gz XZMWZSNUBPXBFT-VXGBXAGGSA-N 0 0 239.359 2.498 10 0 BEAERN COc1ccccc1-n1c(C)nnc1Cl ZINC000071052680 361936496 /nfs/dbraw/zinc/93/64/96/361936496.db2.gz CLRUAXZRNIVQJO-UHFFFAOYSA-N 0 0 223.663 2.238 10 0 BEAERN CO[C@H]1CCCC[C@@H]1n1cc(Cl)c(N)n1 ZINC000379905917 538981524 /nfs/dbraw/zinc/98/15/24/538981524.db2.gz IDUJAPQBMYBGDQ-IUCAKERBSA-N 0 0 229.711 2.079 10 0 BEAERN Fc1cc(F)c(-n2cnnc2Cl)cc1F ZINC000071055205 361938572 /nfs/dbraw/zinc/93/85/72/361938572.db2.gz QPJPLOUWZCBDLN-UHFFFAOYSA-N 0 0 233.580 2.338 10 0 BEAERN CCc1nnc(Cl)n1[C@H]1CCC[C@@H]1OC ZINC000071055039 361938921 /nfs/dbraw/zinc/93/89/21/361938921.db2.gz OATQPDAVNKLACM-YUMQZZPRSA-N 0 0 229.711 2.234 10 0 BEAERN COC(=O)[C@@H]1O[C@]1(C)[C@H]1CC2CCC1CC2 ZINC000381762432 539007100 /nfs/dbraw/zinc/00/71/00/539007100.db2.gz XGNNOHBGPONGAA-INUWHMKWSA-N 0 0 224.300 2.143 10 0 BEAERN NS(=O)(=O)[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000050350701 539010788 /nfs/dbraw/zinc/01/07/88/539010788.db2.gz XHJFCDVSFCRXLT-RYUDHWBXSA-N 0 0 245.388 2.414 10 0 BEAERN C[C@H](CC(C)(C)c1ccccc1)S(N)(=O)=O ZINC000050350682 539010935 /nfs/dbraw/zinc/01/09/35/539010935.db2.gz DVRWEYGLORKFHL-SNVBAGLBSA-N 0 0 241.356 2.031 10 0 BEAERN NS(=O)(=O)[C@H](c1cccs1)C1CCCC1 ZINC000050349704 539010953 /nfs/dbraw/zinc/01/09/53/539010953.db2.gz RBKGJXXPBRRINY-JTQLQIEISA-N 0 0 245.369 2.268 10 0 BEAERN CCCCc1ccc([C@H](C)S(N)(=O)=O)cc1 ZINC000050350594 539010980 /nfs/dbraw/zinc/01/09/80/539010980.db2.gz BVKUECJGIXQNMX-JTQLQIEISA-N 0 0 241.356 2.379 10 0 BEAERN Brc1ccccc1C[C@H]1CO1 ZINC000196283199 539011754 /nfs/dbraw/zinc/01/17/54/539011754.db2.gz JZRUNNCPHWHUKL-QMMMGPOBSA-N 0 0 213.074 2.390 10 0 BEAERN C[C@H](O)CN(C)c1nccc2sccc21 ZINC000051821117 539011770 /nfs/dbraw/zinc/01/17/70/539011770.db2.gz MMVUMUFDASSGHT-QMMMGPOBSA-N 0 0 222.313 2.113 10 0 BEAERN CCOC(=O)CC1(O)CCCCCCC1 ZINC000052248575 539011953 /nfs/dbraw/zinc/01/19/53/539011953.db2.gz UZEMJFKHZVENCA-UHFFFAOYSA-N 0 0 214.305 2.415 10 0 BEAERN CC(C)(C)c1cc(N[C@H]2CCCC[C@H]2O)ncn1 ZINC000381166896 538995584 /nfs/dbraw/zinc/99/55/84/538995584.db2.gz UTBNUEZDSUBTTI-WDEREUQCSA-N 0 0 249.358 2.490 10 0 BEAERN COC(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000042304237 361978870 /nfs/dbraw/zinc/97/88/70/361978870.db2.gz YQAZCTUFIYNZAM-HTQZYQBOSA-N 0 0 243.253 2.177 10 0 BEAERN O=C([O-])C[N@H+](CCCc1ccccc1)CC1CC1 ZINC000036886018 398296358 /nfs/dbraw/zinc/29/63/58/398296358.db2.gz UUQPMVQIVJFUTD-UHFFFAOYSA-N 0 0 247.338 2.416 10 0 BEAERN CC[C@@H](C)Cc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266649 539026914 /nfs/dbraw/zinc/02/69/14/539026914.db2.gz ZWJAOHSRSVQNOD-MRVPVSSYSA-N 0 0 239.319 2.349 10 0 BEAERN CC[C@H](C)Cc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266650 539027134 /nfs/dbraw/zinc/02/71/34/539027134.db2.gz ZWJAOHSRSVQNOD-QMMMGPOBSA-N 0 0 239.319 2.349 10 0 BEAERN CC(F)(F)C(=O)C1=C(O)CCC2(CC2)C1 ZINC000710163482 539027697 /nfs/dbraw/zinc/02/76/97/539027697.db2.gz WGXLFJCILQAIFX-SSDOTTSWSA-N 0 0 216.227 2.360 10 0 BEAERN Cc1ccc([C@@H]2NCCc3occc32)o1 ZINC000709936761 539027983 /nfs/dbraw/zinc/02/79/83/539027983.db2.gz DTZXNZKJZJDFKJ-GFCCVEGCSA-N 0 0 203.241 2.416 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccc(F)cc1 ZINC000382676749 361974206 /nfs/dbraw/zinc/97/42/06/361974206.db2.gz UYBZGFCZDXRZRL-UHFFFAOYSA-N 0 0 224.231 2.350 10 0 BEAERN COC(=O)[C@@H](C)Cc1cccc(OC)c1 ZINC000038951709 344006179 /nfs/dbraw/zinc/00/61/79/344006179.db2.gz YOIMDRWWRMRCBA-VIFPVBQESA-N 0 0 208.257 2.047 10 0 BEAERN CN(CC1CC(O)C1)c1nc(Cl)cs1 ZINC000157732548 342845362 /nfs/dbraw/zinc/84/53/62/342845362.db2.gz NVNGLQOJSSYITE-UHFFFAOYSA-N 0 0 232.736 2.004 10 0 BEAERN Clc1nsnc1N1CCCSCC1 ZINC000042445168 362000378 /nfs/dbraw/zinc/00/03/78/362000378.db2.gz FDJJKBXDCWWZBM-UHFFFAOYSA-N 0 0 235.765 2.135 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1nsnc1Cl ZINC000042452301 362001585 /nfs/dbraw/zinc/00/15/85/362001585.db2.gz GZGNLFCDGKRCHZ-RNFRBKRXSA-N 0 0 247.751 2.195 10 0 BEAERN CCC[C@@H]1CCN(c2cc(N)ns2)C1 ZINC000233308611 342854281 /nfs/dbraw/zinc/85/42/81/342854281.db2.gz YNZNCTKQKVTOSW-MRVPVSSYSA-N 0 0 211.334 2.352 10 0 BEAERN Brc1nc([C@@H]2CCOC2)cs1 ZINC000165005694 342866168 /nfs/dbraw/zinc/86/61/68/342866168.db2.gz ICWAJOGZWAAXFI-RXMQYKEDSA-N 0 0 234.118 2.410 10 0 BEAERN CCn1c2ccccc2nc1[S@](C)(=N)=O ZINC000521399869 398304756 /nfs/dbraw/zinc/30/47/56/398304756.db2.gz WFGBJNZLMJQHBC-OAHLLOKOSA-N 0 0 223.301 2.092 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000077102499 398305967 /nfs/dbraw/zinc/30/59/67/398305967.db2.gz BDTVICVAUZAAJG-CHWSQXEVSA-N 0 0 233.311 2.028 10 0 BEAERN O=c1cc(-c2ccc(F)cc2Cl)nc[nH]1 ZINC000236155130 398306390 /nfs/dbraw/zinc/30/63/90/398306390.db2.gz CEGUHKNIXICPEY-UHFFFAOYSA-N 0 0 224.622 2.229 10 0 BEAERN O=C(CCC1CCCC1)N[C@@H]1CCC[C@H](O)C1 ZINC000077102469 398306386 /nfs/dbraw/zinc/30/63/86/398306386.db2.gz JACFKLSDMGJYPY-OLZOCXBDSA-N 0 0 239.359 2.377 10 0 BEAERN CC(=O)Oc1ccccc1C(=O)C(F)F ZINC000308797498 342871655 /nfs/dbraw/zinc/87/16/55/342871655.db2.gz ILOIYKZAZMNVDH-UHFFFAOYSA-N 0 0 214.167 2.060 10 0 BEAERN CC(=O)OCC(=O)c1ccc(Cl)cc1F ZINC000308826953 342872857 /nfs/dbraw/zinc/87/28/57/342872857.db2.gz RSERAUNVHJISDG-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN CC(=O)OCC(=O)c1cccc(F)c1Cl ZINC000308832203 342873882 /nfs/dbraw/zinc/87/38/82/342873882.db2.gz UOLJJLGOBPPQIJ-UHFFFAOYSA-N 0 0 230.622 2.225 10 0 BEAERN CCOc1cc([C@@H](CC)NO)ccc1O ZINC000308867339 342874376 /nfs/dbraw/zinc/87/43/76/342874376.db2.gz LLKMMQVREOAXIN-SECBINFHSA-N 0 0 211.261 2.221 10 0 BEAERN Cc1ncsc1CC[C@H]1CSC[C@H]1O ZINC000134656872 342875204 /nfs/dbraw/zinc/87/52/04/342875204.db2.gz WENZCRVEDTUVPD-DTWKUNHWSA-N 0 0 229.370 2.108 10 0 BEAERN Cc1nc(C[C@H]2CSC[C@@H]2O)sc1C ZINC000134663196 342875594 /nfs/dbraw/zinc/87/55/94/342875594.db2.gz PRTMJHBZAVKVMM-IUCAKERBSA-N 0 0 229.370 2.026 10 0 BEAERN Cc1nc(C[C@@H]2CSC[C@H]2O)sc1C ZINC000134663218 342875609 /nfs/dbraw/zinc/87/56/09/342875609.db2.gz PRTMJHBZAVKVMM-RKDXNWHRSA-N 0 0 229.370 2.026 10 0 BEAERN CCOC(=O)/C(C)=C1/CCS[C@H]1C ZINC000233675676 342877190 /nfs/dbraw/zinc/87/71/90/342877190.db2.gz FJVBIOPPOBXFTG-FZGDARCMSA-N 0 0 200.303 2.391 10 0 BEAERN Nc1nnc(-c2cccc(F)c2Cl)o1 ZINC000165146851 342877397 /nfs/dbraw/zinc/87/73/97/342877397.db2.gz QVONAWCRIWZBFB-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN CSCCCC(=O)NCCOCCC(C)C ZINC000134698663 342877817 /nfs/dbraw/zinc/87/78/17/342877817.db2.gz FJUPEQGCSLDZPG-UHFFFAOYSA-N 0 0 247.404 2.309 10 0 BEAERN Nc1cc(F)cc(C(=O)NCc2ccccc2)c1 ZINC000165156158 342878045 /nfs/dbraw/zinc/87/80/45/342878045.db2.gz BDANBUITMHQSNY-UHFFFAOYSA-N 0 0 244.269 2.338 10 0 BEAERN CC(C)(C)c1nc2c(c(N)n1)CSC2 ZINC000134714813 342879178 /nfs/dbraw/zinc/87/91/78/342879178.db2.gz RKDMTQYOFBGSCP-UHFFFAOYSA-N 0 0 209.318 2.103 10 0 BEAERN COc1cccc([C@@H](NO)C(F)(F)F)c1 ZINC000308951246 342878314 /nfs/dbraw/zinc/87/83/14/342878314.db2.gz HKFCXHJPHUNTQT-MRVPVSSYSA-N 0 0 221.178 2.277 10 0 BEAERN NCc1nc2cc(Cl)c(F)cc2o1 ZINC000134473136 342856933 /nfs/dbraw/zinc/85/69/33/342856933.db2.gz WZJIHOFWIYLPOS-UHFFFAOYSA-N 0 0 200.600 2.079 10 0 BEAERN CCCc1cc(Cl)n2nc(CC)nc2n1 ZINC000229931613 342857145 /nfs/dbraw/zinc/85/71/45/342857145.db2.gz RABBLYFYXVMYGS-UHFFFAOYSA-N 0 0 224.695 2.293 10 0 BEAERN C[C@@H]1OCC[C@@H]1N(C)c1cccc(Cl)n1 ZINC000134739209 342880862 /nfs/dbraw/zinc/88/08/62/342880862.db2.gz AWIFLMHBFAALSL-IUCAKERBSA-N 0 0 226.707 2.349 10 0 BEAERN COc1c(Cl)ncnc1N1CCC[C@H]1C ZINC000134742711 342881272 /nfs/dbraw/zinc/88/12/72/342881272.db2.gz LBXSEFKWGDLSQR-SSDOTTSWSA-N 0 0 227.695 2.127 10 0 BEAERN CC(C)(C)OC(=O)CC(=O)c1ccccc1O ZINC000035325882 342888283 /nfs/dbraw/zinc/88/82/83/342888283.db2.gz YTPYMSLXUOUXAO-UHFFFAOYSA-N 0 0 236.267 2.307 10 0 BEAERN Clc1nnc(-c2ccc(Cl)cn2)o1 ZINC000157748311 342888990 /nfs/dbraw/zinc/88/89/90/342888990.db2.gz LZGLTMRMIIBHFV-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN CCc1cc(NC(=O)[C@@H]2Cc3ccccc32)n[nH]1 ZINC000134796448 342890471 /nfs/dbraw/zinc/89/04/71/342890471.db2.gz NGUHTFPIBJBLDG-GFCCVEGCSA-N 0 0 241.294 2.251 10 0 BEAERN Cc1cc2c(ccnc2N[C@H]2CCOC2)o1 ZINC000167270320 136245067 /nfs/dbraw/zinc/24/50/67/136245067.db2.gz FXUYSWDKBWSTKV-VIFPVBQESA-N 0 0 218.256 2.337 10 0 BEAERN CC[C@@H](C)[C@H](O)C1(O)CCCCCC1 ZINC000233862560 342893343 /nfs/dbraw/zinc/89/33/43/342893343.db2.gz HLSXLVOVXPRQJV-MNOVXSKESA-N 0 0 200.322 2.479 10 0 BEAERN CC[C@@H](O)c1ncccc1Br ZINC000133096525 398322140 /nfs/dbraw/zinc/32/21/40/398322140.db2.gz AIRYZCPTPZBRAP-SSDOTTSWSA-N 0 0 216.078 2.288 10 0 BEAERN COC(=O)c1cc(O)ccc1OC(F)(F)F ZINC000309173180 342902912 /nfs/dbraw/zinc/90/29/12/342902912.db2.gz RTSHDFLGVUYREY-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN CCC1SC(c2cccnc2)=NC1=O ZINC000116232577 342922791 /nfs/dbraw/zinc/92/27/91/342922791.db2.gz YMQQBQYVKWHMRW-UHFFFAOYSA-N 0 0 206.270 2.473 10 0 BEAERN CCOC(=O)c1ccc(F)cc1OCC ZINC000116482706 342927241 /nfs/dbraw/zinc/92/72/41/342927241.db2.gz BXPGPEKCYSSETC-UHFFFAOYSA-N 0 0 212.220 2.401 10 0 BEAERN CC[C@@H]1OCC[C@H]1c1nc(Br)no1 ZINC000233968304 342914841 /nfs/dbraw/zinc/91/48/41/342914841.db2.gz MCUPVDHJLNMXHN-RITPCOANSA-N 0 0 247.092 2.115 10 0 BEAERN CC[C@@H]1OCC[C@H]1c1nnc(Cl)s1 ZINC000233970623 342916709 /nfs/dbraw/zinc/91/67/09/342916709.db2.gz PQAXPYITMIAOCB-RITPCOANSA-N 0 0 218.709 2.474 10 0 BEAERN Cn1cnc2cc(Cl)nc(Cl)c21 ZINC000575442154 398328543 /nfs/dbraw/zinc/32/85/43/398328543.db2.gz MCPUJVRFHKUUCZ-UHFFFAOYSA-N 0 0 202.044 2.275 10 0 BEAERN COc1cccc(Oc2ncccc2N)c1OC ZINC000115907050 349649717 /nfs/dbraw/zinc/64/97/17/349649717.db2.gz PETDZVKPGVGVNP-UHFFFAOYSA-N 0 0 246.266 2.473 10 0 BEAERN FC(F)(Cl)c1nnc2ccccn21 ZINC000575433911 398327795 /nfs/dbraw/zinc/32/77/95/398327795.db2.gz VMDIDJYCQVWAKG-UHFFFAOYSA-N 0 0 203.579 2.017 10 0 BEAERN COC(=O)c1cc(C)cc(OC(F)F)c1 ZINC000575442130 398328486 /nfs/dbraw/zinc/32/84/86/398328486.db2.gz LJKWHCFEHWOHTD-UHFFFAOYSA-N 0 0 216.183 2.383 10 0 BEAERN C=CCC[N@H+]1CCC[C@@H](CC(=O)[O-])CC1 ZINC000390206248 398337989 /nfs/dbraw/zinc/33/79/89/398337989.db2.gz SLVPQTRVYVDQKZ-LLVKDONJSA-N 0 0 211.305 2.139 10 0 BEAERN CSCCC(=O)NCCCC1CC1 ZINC000128108669 398333773 /nfs/dbraw/zinc/33/37/73/398333773.db2.gz PPUKUCQFFDZCOF-UHFFFAOYSA-N 0 0 201.335 2.046 10 0 BEAERN CNc1cc(C(=O)NCc2ccccc2)ccn1 ZINC000050721626 398333848 /nfs/dbraw/zinc/33/38/48/398333848.db2.gz FTYWSFXRQQBFAY-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN COc1ccc(/C=C2\N=C(C)OC2=O)c(F)c1 ZINC000116928493 342939008 /nfs/dbraw/zinc/93/90/08/342939008.db2.gz ZBSHDIMISXSNFO-WZUFQYTHSA-N 0 0 235.214 2.150 10 0 BEAERN C[C@@H](CO)[C@@H](C)NC(=O)CCCc1ccccc1 ZINC000133654877 398341602 /nfs/dbraw/zinc/34/16/02/398341602.db2.gz OEYPEUDOVKKBCN-QWHCGFSZSA-N 0 0 249.354 2.142 10 0 BEAERN CC[C@H](Nc1ccc2oc(C)nc2c1)C(=O)OC ZINC000134926893 398341952 /nfs/dbraw/zinc/34/19/52/398341952.db2.gz FSFYJFZBCUIDIH-JTQLQIEISA-N 0 0 248.282 2.500 10 0 BEAERN CNc1ccc(C(N)=S)c(Cl)c1 ZINC000061848824 398344468 /nfs/dbraw/zinc/34/44/68/398344468.db2.gz HLXYDJUSJALLST-UHFFFAOYSA-N 0 0 200.694 2.016 10 0 BEAERN COC(=O)N1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616613343 349693185 /nfs/dbraw/zinc/69/31/85/349693185.db2.gz WRUKIDFCFXNWIH-CYBMUJFWSA-N 0 0 249.310 2.472 10 0 BEAERN Nc1ncc(-c2ccccc2)c(=S)[nH]1 ZINC000019909241 342962900 /nfs/dbraw/zinc/96/29/00/342962900.db2.gz BSTMRJHTQGFHFN-UHFFFAOYSA-N 0 0 203.270 2.388 10 0 BEAERN COC(=O)CN[C@H](C)c1ccc(C)cc1C ZINC000019885539 342961482 /nfs/dbraw/zinc/96/14/82/342961482.db2.gz MMQUJPPZIBINDN-LLVKDONJSA-N 0 0 221.300 2.127 10 0 BEAERN COC(=O)CN[C@@H](C)c1ccc(C)cc1C ZINC000019885537 342961795 /nfs/dbraw/zinc/96/17/95/342961795.db2.gz MMQUJPPZIBINDN-NSHDSACASA-N 0 0 221.300 2.127 10 0 BEAERN Nc1cc(F)ccc1NCc1ccncc1 ZINC000020135544 342971134 /nfs/dbraw/zinc/97/11/34/342971134.db2.gz GFGMVVKQBCSHON-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN Nc1cc(F)ccc1NCc1ccccn1 ZINC000020135540 342971141 /nfs/dbraw/zinc/97/11/41/342971141.db2.gz SUYKQUFFPILZCN-UHFFFAOYSA-N 0 0 217.247 2.415 10 0 BEAERN COc1cccnc1C(=O)c1ccccc1 ZINC000234925607 342965930 /nfs/dbraw/zinc/96/59/30/342965930.db2.gz DVEWWSXKKQOHJY-UHFFFAOYSA-N 0 0 213.236 2.321 10 0 BEAERN CC[C@H](NO)c1cc(OC)ccc1OC ZINC000308760034 346910174 /nfs/dbraw/zinc/91/01/74/346910174.db2.gz IWERXPPOCIRISB-JTQLQIEISA-N 0 0 211.261 2.134 10 0 BEAERN CC[C@@H](NO)c1cc(OC)ccc1OC ZINC000308760035 346910451 /nfs/dbraw/zinc/91/04/51/346910451.db2.gz IWERXPPOCIRISB-SNVBAGLBSA-N 0 0 211.261 2.134 10 0 BEAERN CC(C)c1ccc([C@H](CCO)NO)cc1 ZINC000308764964 346910477 /nfs/dbraw/zinc/91/04/77/346910477.db2.gz YDCMVXJRZDSUSP-LBPRGKRZSA-N 0 0 209.289 2.212 10 0 BEAERN CN(C)[C@H](CO)c1c(F)cccc1Cl ZINC000041230759 342984616 /nfs/dbraw/zinc/98/46/16/342984616.db2.gz BQOFBSQQVVSQID-SECBINFHSA-N 0 0 217.671 2.074 10 0 BEAERN OC1CC(C[NH2+]Cc2ccccc2Cl)C1 ZINC000084446402 342986369 /nfs/dbraw/zinc/98/63/69/342986369.db2.gz HQWISDQVJGEFPR-UHFFFAOYSA-N 0 0 225.719 2.201 10 0 BEAERN CCOC(=O)Oc1ccsc1C=O ZINC000043193671 342996729 /nfs/dbraw/zinc/99/67/29/342996729.db2.gz WFTRASGIDUPBPJ-UHFFFAOYSA-N 0 0 200.215 2.096 10 0 BEAERN C[C@]1(C(=O)[O-])CCC[C@H]1[NH+]1CCCCC1 ZINC000134917865 343002520 /nfs/dbraw/zinc/00/25/20/343002520.db2.gz ANAVDOVEEIHXSE-PWSUYJOCSA-N 0 0 211.305 2.116 10 0 BEAERN COc1cc(N)ccc1OCCn1cccc1 ZINC000117561547 343004248 /nfs/dbraw/zinc/00/42/48/343004248.db2.gz ROUSHRUJDCGERA-UHFFFAOYSA-N 0 0 232.283 2.158 10 0 BEAERN O[C@H]1c2ccccc2OCc2ncccc21 ZINC000036459971 343005317 /nfs/dbraw/zinc/00/53/17/343005317.db2.gz BDDYFCNOFFIYTE-CYBMUJFWSA-N 0 0 213.236 2.056 10 0 BEAERN CN1c2ccc(N)cc2C(C)(C)CCC1=O ZINC000117915904 343020615 /nfs/dbraw/zinc/02/06/15/343020615.db2.gz KBXINPOWZRBWNT-UHFFFAOYSA-N 0 0 218.300 2.303 10 0 BEAERN CC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000043298838 343040322 /nfs/dbraw/zinc/04/03/22/343040322.db2.gz DPLBVMXFMVGWCQ-YFKPBYRVSA-N 0 0 206.167 2.052 10 0 BEAERN CCc1nsc(Sc2cc(F)ncn2)n1 ZINC000150186472 349782945 /nfs/dbraw/zinc/78/29/45/349782945.db2.gz KGDGEXBYQCLNGR-UHFFFAOYSA-N 0 0 242.304 2.181 10 0 BEAERN Cc1ccc(-c2nnc(Br)o2)cn1 ZINC000157844006 344025584 /nfs/dbraw/zinc/02/55/84/344025584.db2.gz VIFBCVRSFNDVTN-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CCN(C(=O)[C@@H]1CCCO[C@H]1C)c1cccnc1 ZINC000191132631 259345046 /nfs/dbraw/zinc/34/50/46/259345046.db2.gz DPYGPZBAJPRVFR-WCQYABFASA-N 0 0 248.326 2.250 10 0 BEAERN CCN(C(=O)[C@H]1CCCO[C@@H]1C)c1cccnc1 ZINC000191132617 259345054 /nfs/dbraw/zinc/34/50/54/259345054.db2.gz DPYGPZBAJPRVFR-YPMHNXCESA-N 0 0 248.326 2.250 10 0 BEAERN C[C@@H]1CC(CNc2cccnn2)C[C@@H](C)O1 ZINC000309833684 259343939 /nfs/dbraw/zinc/34/39/39/259343939.db2.gz ZJWNVXNOZDLSIJ-NXEZZACHSA-N 0 0 221.304 2.092 10 0 BEAERN CC(C)C[C@H](N)C(=O)OC1CCCCC1 ZINC000048632106 343050517 /nfs/dbraw/zinc/05/05/17/343050517.db2.gz HDSMCMZVOYSQNX-NSHDSACASA-N 0 0 213.321 2.236 10 0 BEAERN CC(=O)c1cc(N)ccc1OC(F)(F)F ZINC000308803518 346921893 /nfs/dbraw/zinc/92/18/93/346921893.db2.gz ABKJFKJFBZCXFD-UHFFFAOYSA-N 0 0 219.162 2.370 10 0 BEAERN Cc1cc(N2C(=O)[C@@H]3CC[C@H]2C3)ccc1C#N ZINC000118679577 343052382 /nfs/dbraw/zinc/05/23/82/343052382.db2.gz IXMPVKFZLVCLQQ-MFKMUULPSA-N 0 0 226.279 2.382 10 0 BEAERN COC(=O)c1cc(C2CC2)nc(C2CC2)n1 ZINC000261041840 349791758 /nfs/dbraw/zinc/79/17/58/349791758.db2.gz CWRXZIMBURJNNK-UHFFFAOYSA-N 0 0 218.256 2.018 10 0 BEAERN OCc1cnc(-c2ccccc2Cl)o1 ZINC000118900174 343061681 /nfs/dbraw/zinc/06/16/81/343061681.db2.gz GUANIJCXGZAUPG-UHFFFAOYSA-N 0 0 209.632 2.487 10 0 BEAERN CC[C@@](C)(OC)c1nnc(Cl)s1 ZINC000234024747 343066025 /nfs/dbraw/zinc/06/60/25/343066025.db2.gz DHEPCOZLFAXWMS-SSDOTTSWSA-N 0 0 206.698 2.463 10 0 BEAERN CC(C)(C)CC(C)(C)N1CCC(=O)C1=O ZINC000043435668 343069008 /nfs/dbraw/zinc/06/90/08/343069008.db2.gz HNAJEBGUSMUSHS-UHFFFAOYSA-N 0 0 211.305 2.003 10 0 BEAERN CC(C)(C)OC(=O)[C@H]1Cc2ccc(O)cc2N1 ZINC000584882075 343079962 /nfs/dbraw/zinc/07/99/62/343079962.db2.gz KRRQSKVPYZSQLX-LLVKDONJSA-N 0 0 235.283 2.071 10 0 BEAERN O=Cc1ccc(C(F)(F)Br)nc1 ZINC000584880327 343080797 /nfs/dbraw/zinc/08/07/97/343080797.db2.gz RDAXKVWZHVKIFZ-UHFFFAOYSA-N 0 0 236.015 2.338 10 0 BEAERN O=Cc1c2c(nn1Cc1ccccc1)CCC2 ZINC000584880542 343081124 /nfs/dbraw/zinc/08/11/24/343081124.db2.gz CZUSWEIUZFLORY-UHFFFAOYSA-N 0 0 226.279 2.233 10 0 BEAERN CCC(=C(N)N)C(=O)N[C@H](CC)c1ccccc1 ZINC000584880962 343081690 /nfs/dbraw/zinc/08/16/90/343081690.db2.gz TYWXIDDHXXORFL-NWDGAFQWSA-N 0 0 247.342 2.216 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC1(C)C ZINC000408027337 133463500 /nfs/dbraw/zinc/46/35/00/133463500.db2.gz KOLJKZHPCFCAIF-AXFHLTTASA-N 0 0 240.347 2.042 10 0 BEAERN CC[C@H](C)n1ncc2c1ncc(N)c2NC ZINC000584881781 343082725 /nfs/dbraw/zinc/08/27/25/343082725.db2.gz AQNPXNMUPXIQDA-ZETCQYMHSA-N 0 0 219.292 2.026 10 0 BEAERN CNc1c(N)cnc2ccc(Cl)c(F)c21 ZINC000584882023 343083169 /nfs/dbraw/zinc/08/31/69/343083169.db2.gz JCMSJICYSBYNGN-UHFFFAOYSA-N 0 0 225.654 2.073 10 0 BEAERN CN[C@@H](c1ccsn1)c1occc1C ZINC000306668320 362024914 /nfs/dbraw/zinc/02/49/14/362024914.db2.gz FPLSBTJJIRNHSM-VIFPVBQESA-N 0 0 208.286 2.353 10 0 BEAERN CNc1c(N)cnc2c(F)c(OC)ccc21 ZINC000584881844 343083274 /nfs/dbraw/zinc/08/32/74/343083274.db2.gz FBIHBXRQIVGTOJ-UHFFFAOYSA-N 0 0 221.235 2.006 10 0 BEAERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000049043200 343083767 /nfs/dbraw/zinc/08/37/67/343083767.db2.gz RZLLHVCIKCPPDJ-VXGBXAGGSA-N 0 0 201.269 2.069 10 0 BEAERN Nc1cnc2c(OC(F)F)cccc2c1N ZINC000584882347 343084772 /nfs/dbraw/zinc/08/47/72/343084772.db2.gz DHAXYDVFWFBSFM-UHFFFAOYSA-N 0 0 225.198 2.001 10 0 BEAERN CNc1c(N)cnc2c(F)cc(Cl)cc21 ZINC000584882852 343085544 /nfs/dbraw/zinc/08/55/44/343085544.db2.gz WWDDDKFOQABVLI-UHFFFAOYSA-N 0 0 225.654 2.073 10 0 BEAERN CNc1c(N)cnc2c(F)c(F)ccc21 ZINC000584882873 343085671 /nfs/dbraw/zinc/08/56/71/343085671.db2.gz XXWXQMPEDBFAKO-UHFFFAOYSA-N 0 0 209.199 2.137 10 0 BEAERN CCc1ccc2c(c1)[C@H](O)CCN2C(C)=O ZINC000584883119 343086039 /nfs/dbraw/zinc/08/60/39/343086039.db2.gz HJDWTSJVKZPCHT-CYBMUJFWSA-N 0 0 219.284 2.039 10 0 BEAERN COc1csc([C@@H](N)c2cscn2)c1 ZINC000306669350 362032389 /nfs/dbraw/zinc/03/23/89/362032389.db2.gz GRMKUVYNDPCNCK-VIFPVBQESA-N 0 0 226.326 2.261 10 0 BEAERN CCCCN(C(=O)CSC)C1CC1 ZINC000046243443 343088604 /nfs/dbraw/zinc/08/86/04/343088604.db2.gz VOYPKVQDQUVCHE-UHFFFAOYSA-N 0 0 201.335 2.141 10 0 BEAERN CN[C@H](c1ccsn1)c1cnc(C)s1 ZINC000306669386 362032613 /nfs/dbraw/zinc/03/26/13/362032613.db2.gz GWBHNVMMPSWSPT-SECBINFHSA-N 0 0 225.342 2.217 10 0 BEAERN O=C(NCC[C@H]1CCCO1)NC1CCCCC1 ZINC000013493682 343090313 /nfs/dbraw/zinc/09/03/13/343090313.db2.gz RTPQDEUTSFVABQ-GFCCVEGCSA-N 0 0 240.347 2.187 10 0 BEAERN O=C1CC[C@]2(CCCc3ccccc32)N1 ZINC000038271627 343090881 /nfs/dbraw/zinc/09/08/81/343090881.db2.gz GRMWQKUXYAXHDB-ZDUSSCGKSA-N 0 0 201.269 2.128 10 0 BEAERN CC(C)C[C@H]1Oc2cccc(N)c2NC1=O ZINC000074075134 343074465 /nfs/dbraw/zinc/07/44/65/343074465.db2.gz ZJAHFYCWFHBFDP-SNVBAGLBSA-N 0 0 220.272 2.014 10 0 BEAERN CC(C)(C)c1nc2c(ncnc2Cl)[nH]1 ZINC000238146435 343077096 /nfs/dbraw/zinc/07/70/96/343077096.db2.gz OZYYUDBRHGGDRX-UHFFFAOYSA-N 0 0 210.668 2.304 10 0 BEAERN CC(C)(C)n1nc2c(c1C=O)CCCC2 ZINC000257838773 343077116 /nfs/dbraw/zinc/07/71/16/343077116.db2.gz JFZOXWCTGIPWDI-UHFFFAOYSA-N 0 0 206.289 2.329 10 0 BEAERN CCOC(=O)[C@H]1Cc2c(cc(F)cc2Cl)N1 ZINC000260344551 343077602 /nfs/dbraw/zinc/07/76/02/343077602.db2.gz LLZCBJVNBZLIBE-SNVBAGLBSA-N 0 0 243.665 2.379 10 0 BEAERN O=C1CCSc2cc(F)c(F)cc2N1 ZINC000306185208 343077877 /nfs/dbraw/zinc/07/78/77/343077877.db2.gz GIUDGOCFJAXBDZ-UHFFFAOYSA-N 0 0 215.224 2.399 10 0 BEAERN CCOC(CCO[C@H]1CCCCO1)OCC ZINC000043503330 343098052 /nfs/dbraw/zinc/09/80/52/343098052.db2.gz ZLCNBNMNBUMLIP-NSHDSACASA-N 0 0 232.320 2.319 10 0 BEAERN CCOC(OCC)C(=O)C[C@@H](C)CC ZINC000043504087 343100330 /nfs/dbraw/zinc/10/03/30/343100330.db2.gz FHZORVWDVDIRPB-VIFPVBQESA-N 0 0 202.294 2.391 10 0 BEAERN CCC[C@@H](C)C(=O)C(OCC)OCC ZINC000043504189 343101118 /nfs/dbraw/zinc/10/11/18/343101118.db2.gz GKUKDBFRWLZWMU-SECBINFHSA-N 0 0 202.294 2.391 10 0 BEAERN CCOC(=O)C(=O)c1cc(C)cc(Cl)c1 ZINC000043504306 343101172 /nfs/dbraw/zinc/10/11/72/343101172.db2.gz IEJANNCNKPVXOB-UHFFFAOYSA-N 0 0 226.659 2.394 10 0 BEAERN CCCCCC[C@H]([C@H](C)O)n1cnc(CO)c1 ZINC000013821034 343105168 /nfs/dbraw/zinc/10/51/68/343105168.db2.gz CDVIUGQUHCYOPP-WCQYABFASA-N 0 0 240.347 2.268 10 0 BEAERN CCc1c2cc(OC)c(OC)cc2c(C)[nH]c1=O ZINC000013886640 343106943 /nfs/dbraw/zinc/10/69/43/343106943.db2.gz OQYJVTPREWTTPY-UHFFFAOYSA-N 0 0 247.294 2.416 10 0 BEAERN O=C1CCc2c3ccccc3cc(O)c2O1 ZINC000013560922 343094140 /nfs/dbraw/zinc/09/41/40/343094140.db2.gz BKBHSAUUJWRKEZ-UHFFFAOYSA-N 0 0 214.220 2.397 10 0 BEAERN O=C1CCc2c(cc(O)c3ccccc32)O1 ZINC000013560928 343094244 /nfs/dbraw/zinc/09/42/44/343094244.db2.gz FYQNTGJJDRMIFN-UHFFFAOYSA-N 0 0 214.220 2.397 10 0 BEAERN O=c1cc(Cn2ccnc2)c2ccccc2o1 ZINC000013586713 343096061 /nfs/dbraw/zinc/09/60/61/343096061.db2.gz SOWQJCOJWDYZNR-UHFFFAOYSA-N 0 0 226.235 2.038 10 0 in-vivo BEAERN CCOC(=O)c1nc(C)sc1Cl ZINC000142759349 343113141 /nfs/dbraw/zinc/11/31/41/343113141.db2.gz MUVNOLJOAHDBNJ-UHFFFAOYSA-N 0 0 205.666 2.282 10 0 BEAERN O=C1Cc2ccccc2C[C@@H]2CCCCN12 ZINC000165458195 343146151 /nfs/dbraw/zinc/14/61/51/343146151.db2.gz IRGBUTCNBQXEPF-ZDUSSCGKSA-N 0 0 215.296 2.166 10 0 BEAERN Cc1cc(OCc2ccccc2)cc[n+]1[O-] ZINC000014491616 343125331 /nfs/dbraw/zinc/12/53/31/343125331.db2.gz AYFKEAYCJNZJMW-UHFFFAOYSA-N 0 0 215.252 2.207 10 0 BEAERN COc1cc(CCC(C)=O)cc(OC)c1OC ZINC000014817795 343130683 /nfs/dbraw/zinc/13/06/83/343130683.db2.gz DICCJSUMFVUGHA-UHFFFAOYSA-N 0 0 238.283 2.234 10 0 biogenic,in-vitro BEAERN CN(Cc1ccco1)c1nccnc1Cl ZINC000043537737 343133143 /nfs/dbraw/zinc/13/31/43/343133143.db2.gz VSZXBLNIJGBFBJ-UHFFFAOYSA-N 0 0 223.663 2.359 10 0 BEAERN FC(F)CNc1nc2ccncc2nc1Cl ZINC000144472917 343135366 /nfs/dbraw/zinc/13/53/66/343135366.db2.gz LRCOQIJZMAWOBU-UHFFFAOYSA-N 0 0 244.632 2.355 10 0 BEAERN O=c1oc(=O)c2ccsc2c2sccc21 ZINC000144720275 343137689 /nfs/dbraw/zinc/13/76/89/343137689.db2.gz UGFYLGZFYCTMFU-UHFFFAOYSA-N 0 0 236.273 2.429 10 0 BEAERN CCOC(=O)c1cnnc(-c2ccccc2F)c1 ZINC000259672624 343137715 /nfs/dbraw/zinc/13/77/15/343137715.db2.gz GSOJTYWDLOJPML-UHFFFAOYSA-N 0 0 246.241 2.459 10 0 BEAERN Cc1cc(N)c2c(c1Br)CCO2 ZINC000144770099 343138340 /nfs/dbraw/zinc/13/83/40/343138340.db2.gz HNLRHOMTOLFPBZ-UHFFFAOYSA-N 0 0 228.089 2.275 10 0 BEAERN CCOC(=O)c1cnnc(-c2ccc(F)cc2)c1 ZINC000259920061 343140024 /nfs/dbraw/zinc/14/00/24/343140024.db2.gz DBQQVXCSNQNOJV-UHFFFAOYSA-N 0 0 246.241 2.459 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2ccccc2NC1=O ZINC000031890415 343141995 /nfs/dbraw/zinc/14/19/95/343141995.db2.gz USEJKDHPEGYAPK-KWQFWETISA-N 0 0 204.273 2.465 10 0 BEAERN CCCCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000036944081 343143833 /nfs/dbraw/zinc/14/38/33/343143833.db2.gz DPUCOCRZVGGPMP-UHFFFAOYSA-N 0 0 233.267 2.390 10 0 BEAERN CCC[C@H]1CCc2[nH]c(=NN)sc2C1 ZINC000043559992 343144419 /nfs/dbraw/zinc/14/44/19/343144419.db2.gz HMAGFHNOEYBJPW-ZETCQYMHSA-N 0 0 211.334 2.334 10 0 BEAERN CC(=O)Nc1cc(NCc2ccccc2)ncn1 ZINC000165454896 343144682 /nfs/dbraw/zinc/14/46/82/343144682.db2.gz LMZVYFAJYKTVNW-UHFFFAOYSA-N 0 0 242.282 2.047 10 0 BEAERN Cc1ccc(C)c([C@H](CO)NCC(F)(F)F)c1 ZINC000049671090 178501437 /nfs/dbraw/zinc/50/14/37/178501437.db2.gz BHRPPTCYCIYRAY-NSHDSACASA-N 0 0 247.260 2.489 10 0 BEAERN Cc1ccc(C)c([C@H]([NH2+]C2CC2)C(=O)[O-])c1 ZINC000049670771 178502370 /nfs/dbraw/zinc/50/23/70/178502370.db2.gz TVDCUHPIWXANOU-LBPRGKRZSA-N 0 0 219.284 2.181 10 0 BEAERN Cc1ccc(C)c([C@H](O)Cn2ccc(=O)cc2)c1 ZINC000061628464 178502598 /nfs/dbraw/zinc/50/25/98/178502598.db2.gz MTPFOZXQFARVKY-OAHLLOKOSA-N 0 0 243.306 2.199 10 0 BEAERN CC[C@H](C)[C@@H](O)C1(O)CCCCCC1 ZINC000233987975 343230939 /nfs/dbraw/zinc/23/09/39/343230939.db2.gz HLSXLVOVXPRQJV-WDEREUQCSA-N 0 0 200.322 2.479 10 0 BEAERN COCCNc1ccc(N)cc1Br ZINC000043596547 343241632 /nfs/dbraw/zinc/24/16/32/343241632.db2.gz XMHXZRCBCRPCKO-UHFFFAOYSA-N 0 0 245.120 2.090 10 0 BEAERN CCOC(=O)C(c1ccc[nH]1)c1ccc[nH]1 ZINC000238300710 343255450 /nfs/dbraw/zinc/25/54/50/343255450.db2.gz AWSGLOMUGKKBLR-UHFFFAOYSA-N 0 0 218.256 2.038 10 0 BEAERN CCOC(=O)[C@H](Cl)/C=C/[C@H](C)Cl ZINC000238252287 343252593 /nfs/dbraw/zinc/25/25/93/343252593.db2.gz QPNBBYJXULZLDF-LYNIJRAASA-N 0 0 211.088 2.340 10 0 BEAERN O=C1C=CCCCN1Cc1ccccc1 ZINC000034180514 343265949 /nfs/dbraw/zinc/26/59/49/343265949.db2.gz JGWKMNFFFCNAIO-UHFFFAOYSA-N 0 0 201.269 2.365 10 0 BEAERN C[C@H](O)CNc1ccc(N)cc1C(F)(F)F ZINC000034303403 343267977 /nfs/dbraw/zinc/26/79/77/343267977.db2.gz VJYXTWWXBGIBJT-LURJTMIESA-N 0 0 234.221 2.080 10 0 BEAERN CCCCOC[C@@H](O)CSc1ccccn1 ZINC000034329859 343268121 /nfs/dbraw/zinc/26/81/21/343268121.db2.gz NNRGIPKAQUOVHP-LLVKDONJSA-N 0 0 241.356 2.351 10 0 BEAERN O=C(CN1CCSC1=O)c1ccccc1 ZINC000034411303 343270356 /nfs/dbraw/zinc/27/03/56/343270356.db2.gz BHSUJHRUBHDLKE-UHFFFAOYSA-N 0 0 221.281 2.038 10 0 BEAERN CCOP(=O)(C/C=C/C(C)=O)OCC ZINC000034482359 343272306 /nfs/dbraw/zinc/27/23/06/343272306.db2.gz DMYQTCXWVLMGPH-VOTSOKGWSA-N 0 0 220.205 2.398 10 0 BEAERN CC(=O)c1ccc2c(c1)CCC[C@]2(C)O ZINC000034590277 343275335 /nfs/dbraw/zinc/27/53/35/343275335.db2.gz ZIGYQOKCQNOZHK-ZDUSSCGKSA-N 0 0 204.269 2.433 10 0 BEAERN CC[C@H](O)[C@@H](O)c1ccc(Cl)cc1F ZINC000234059228 343276932 /nfs/dbraw/zinc/27/69/32/343276932.db2.gz OMROUGDRGSJGSC-UWVGGRQHSA-N 0 0 218.655 2.283 10 0 BEAERN CCC(=O)C(CC(=O)OC(C)(C)C)C(=O)CC ZINC000217369679 343277178 /nfs/dbraw/zinc/27/71/78/343277178.db2.gz ZABTVCWNKJUTCE-UHFFFAOYSA-N 0 0 242.315 2.293 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCC(C)(C)C(C)(C)O ZINC000393591261 259357463 /nfs/dbraw/zinc/35/74/63/259357463.db2.gz QRXVHMQXAWUNOG-GHMZBOCLSA-N 0 0 241.375 2.336 10 0 BEAERN Nc1cnc2cc(-c3cccs3)nn2c1 ZINC000071467862 343302048 /nfs/dbraw/zinc/30/20/48/343302048.db2.gz ACZDCNPPDLAJQQ-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CCCc1cc(C)cc(C=O)c1OCCO ZINC000146616426 343305285 /nfs/dbraw/zinc/30/52/85/343305285.db2.gz LIRRXNZADPWSFI-UHFFFAOYSA-N 0 0 222.284 2.131 10 0 BEAERN COC(=O)c1cnc(C)cc1OC(F)(F)F ZINC000309366797 343333073 /nfs/dbraw/zinc/33/30/73/343333073.db2.gz PBYWEWRRSZWHDU-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CCO[C@H]1Cc2ncccc2N=C(C)O1 ZINC000038235561 343372826 /nfs/dbraw/zinc/37/28/26/343372826.db2.gz FINORURUHDXHNN-LLVKDONJSA-N 0 0 206.245 2.067 10 0 BEAERN CC[C@](C)(O)C(=O)c1cc(F)cc(F)c1 ZINC000234082649 343334565 /nfs/dbraw/zinc/33/45/65/343334565.db2.gz DWCOVIRGHYUYQB-NSHDSACASA-N 0 0 214.211 2.309 10 0 BEAERN CC[C@](C)(O)[C@H](O)c1ccc(C)s1 ZINC000234087053 343335367 /nfs/dbraw/zinc/33/53/67/343335367.db2.gz KQZIFBDOOUYEMT-ZJUUUORDSA-N 0 0 200.303 2.251 10 0 BEAERN Cc1nnc(S[C@@H]2CCCC2=O)s1 ZINC000037485685 343346948 /nfs/dbraw/zinc/34/69/48/343346948.db2.gz LAQZORHGXSKNOG-SSDOTTSWSA-N 0 0 214.315 2.060 10 0 BEAERN Cc1ccc(CC(=O)N2[C@H](C)COC[C@H]2C)cc1 ZINC000130391620 178518782 /nfs/dbraw/zinc/51/87/82/178518782.db2.gz APLDGEHNKNGAEC-CHWSQXEVSA-N 0 0 247.338 2.173 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOCC12CCC2 ZINC000335672217 136313850 /nfs/dbraw/zinc/31/38/50/136313850.db2.gz GKLLCZWPJVJRMW-RYUDHWBXSA-N 0 0 237.343 2.204 10 0 BEAERN CCOc1cc2ncc(C)nc2cc1F ZINC000039099430 343383072 /nfs/dbraw/zinc/38/30/72/343383072.db2.gz PVGBPEWXLRRGRP-UHFFFAOYSA-N 0 0 206.220 2.476 10 0 BEAERN CC(C)c1cc(=O)[nH]c(NC2CCCC2)n1 ZINC000041603744 343422217 /nfs/dbraw/zinc/42/22/17/343422217.db2.gz BFKSOPIIOKPIES-UHFFFAOYSA-N 0 0 221.304 2.248 10 0 BEAERN CCc1ccc(C(=O)OC)c(N(C)C)c1 ZINC000039101195 343383837 /nfs/dbraw/zinc/38/38/37/343383837.db2.gz ZPJUJBOKFXDRCC-UHFFFAOYSA-N 0 0 207.273 2.102 10 0 BEAERN NOC/C=C\c1cnc2ccccc2c1 ZINC000039117559 343385343 /nfs/dbraw/zinc/38/53/43/343385343.db2.gz QTNRHMRUPRTNOR-ARJAWSKDSA-N 0 0 200.241 2.138 10 0 BEAERN CC1(C)CC=CC(O)(O)[C@H]1c1ccccc1 ZINC000039119188 343385433 /nfs/dbraw/zinc/38/54/33/343385433.db2.gz KJDKGBBOXQPIMP-LBPRGKRZSA-N 0 0 218.296 2.437 10 0 BEAERN CCOP(=O)(CSC(C)=O)OCC ZINC000039243893 343387222 /nfs/dbraw/zinc/38/72/22/343387222.db2.gz RTKWVANUNCTDGV-UHFFFAOYSA-N 0 0 226.234 2.490 10 0 BEAERN Cc1nn(C(C)(C)C)c2c1C(=O)CCC2 ZINC000039281286 343387742 /nfs/dbraw/zinc/38/77/42/343387742.db2.gz OLWCZIWMMKLNNX-UHFFFAOYSA-N 0 0 206.289 2.466 10 0 BEAERN O=C1CCN(CCc2c[nH]c3ccccc23)CC1 ZINC000041286891 343418194 /nfs/dbraw/zinc/41/81/94/343418194.db2.gz QOJVGFZXPSUWAO-UHFFFAOYSA-N 0 0 242.322 2.375 10 0 BEAERN O=C(c1n[nH]c2ccccc21)N1C[C@H]2CCC[C@@H]21 ZINC000349350921 136342835 /nfs/dbraw/zinc/34/28/35/136342835.db2.gz PPASWMJMUHJBQZ-SKDRFNHKSA-N 0 0 241.294 2.187 10 0 BEAERN CC[C@H]1OCC[C@H]1c1nnc(Cl)o1 ZINC000234127378 343424616 /nfs/dbraw/zinc/42/46/16/343424616.db2.gz DIXDPHTYKINTDC-PHDIDXHHSA-N 0 0 202.641 2.006 10 0 BEAERN C[C@H]1CN(c2ccc3c(n2)CCC3=O)CCS1 ZINC000335728192 136347989 /nfs/dbraw/zinc/34/79/89/136347989.db2.gz KDANBYGOHJPJKQ-VIFPVBQESA-N 0 0 248.351 2.152 10 0 BEAERN CCN(C(=O)N1C[C@@H]2CCC[C@@H]21)C(C)C ZINC000335729892 136348778 /nfs/dbraw/zinc/34/87/78/136348778.db2.gz CQYUGNSCHLYGNC-QWRGUYRKSA-N 0 0 210.321 2.321 10 0 BEAERN C[C@@H]1CCCN(c2nnc(C3CC3)n2C)[C@H]1C ZINC000335845520 136355151 /nfs/dbraw/zinc/35/51/51/136355151.db2.gz YESIKIDNUFOCSP-ZJUUUORDSA-N 0 0 234.347 2.317 10 0 BEAERN OC[C@H](Nc1ccc(Cl)cn1)c1ccco1 ZINC000078672194 343453801 /nfs/dbraw/zinc/45/38/01/343453801.db2.gz FGTLBEDXPLVSSX-VIFPVBQESA-N 0 0 238.674 2.474 10 0 BEAERN O=[N+]([O-])/C=C/c1ccc(Br)o1 ZINC000042905135 343458403 /nfs/dbraw/zinc/45/84/03/343458403.db2.gz ZPOIRJXWLVUIPT-ONEGZZNKSA-N 0 0 218.006 2.290 10 0 BEAERN C[C@@H](NC(N)=S)c1ccc(Cl)s1 ZINC000042590635 343444767 /nfs/dbraw/zinc/44/47/67/343444767.db2.gz GRXAEBKMAHYBAI-SCSAIBSYSA-N 0 0 220.750 2.296 10 0 BEAERN CCc1c(N)n[nH]c1-c1ccc(Cl)o1 ZINC000234138922 343445394 /nfs/dbraw/zinc/44/53/94/343445394.db2.gz AGTSAUYVOGVMAL-UHFFFAOYSA-N 0 0 211.652 2.468 10 0 BEAERN Cc1cccnc1-c1nc(C=O)cs1 ZINC000043616232 343480757 /nfs/dbraw/zinc/48/07/57/343480757.db2.gz ROMXEEQTCQPQEG-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN Cc1c(F)cccc1N1CCC(=O)CC1 ZINC000043321263 343467963 /nfs/dbraw/zinc/46/79/63/343467963.db2.gz PRGGQTNTEKFEOM-UHFFFAOYSA-N 0 0 207.248 2.303 10 0 BEAERN CCc1cc(Br)cnc1C#N ZINC000261197770 349814902 /nfs/dbraw/zinc/81/49/02/349814902.db2.gz UZPVUUJXLYFBDV-UHFFFAOYSA-N 0 0 211.062 2.278 10 0 BEAERN CCCC(C)=C1SC(=S)NC1=O ZINC000045016221 343520838 /nfs/dbraw/zinc/52/08/38/343520838.db2.gz GZEDVTSCFDNZSC-AATRIKPKSA-N 0 0 201.316 2.208 10 0 BEAERN Cc1ccc(CN(C)C(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000122929744 178543070 /nfs/dbraw/zinc/54/30/70/178543070.db2.gz UBLLJFMVMICSFP-CMPLNLGQSA-N 0 0 237.299 2.114 10 0 BEAERN O=C(CF)Nc1nc2ccccc2s1 ZINC000045237775 343526869 /nfs/dbraw/zinc/52/68/69/343526869.db2.gz OGYFPBSIZNPWHK-UHFFFAOYSA-N 0 0 210.233 2.204 10 0 BEAERN COC(=O)N1CCCC[C@H](OC(F)(F)F)C1 ZINC000616630392 343527106 /nfs/dbraw/zinc/52/71/06/343527106.db2.gz WYRVKQMHVGJRAU-ZETCQYMHSA-N 0 0 241.209 2.144 10 0 BEAERN COC(=O)N1CCc2ccccc2[C@@H]1F ZINC000616676951 343535446 /nfs/dbraw/zinc/53/54/46/343535446.db2.gz DDIONHSNJWWWPM-SNVBAGLBSA-N 0 0 209.220 2.279 10 0 BEAERN CC(C)N1CCc2ccccc2[C@@H]1c1conn1 ZINC000616678410 343536565 /nfs/dbraw/zinc/53/65/65/343536565.db2.gz HQLYPTLIAQYVQP-CQSZACIVSA-N 0 0 243.310 2.426 10 0 BEAERN COC(=O)N1C[C@H](C(F)F)Nc2ccccc21 ZINC000616684902 343537740 /nfs/dbraw/zinc/53/77/40/343537740.db2.gz LUTCIKYTRMPTIO-MRVPVSSYSA-N 0 0 242.225 2.319 10 0 BEAERN COC(=O)/C=C/c1cncc(C(F)(F)F)c1 ZINC000203883459 343547936 /nfs/dbraw/zinc/54/79/36/343547936.db2.gz CHAFXJSGNXELMI-NSCUHMNNSA-N 0 0 231.173 2.287 10 0 BEAERN O=C(c1ccccc1)N1Cc2cocc2C1 ZINC000204077337 343557026 /nfs/dbraw/zinc/55/70/26/343557026.db2.gz ATFBXHHVQFEFSO-UHFFFAOYSA-N 0 0 213.236 2.436 10 0 BEAERN COC(=O)c1cnc(OC(F)F)c(Cl)c1 ZINC000166860043 343579193 /nfs/dbraw/zinc/57/91/93/343579193.db2.gz XGUCLTNCHVUKGN-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCOc1cc(C2OCCCO2)ccc1O ZINC000205062025 343616975 /nfs/dbraw/zinc/61/69/75/343616975.db2.gz QUDLPTNCDGPTHR-UHFFFAOYSA-N 0 0 224.256 2.226 10 0 BEAERN COC(=O)[C@H](C)Nc1ccc(C)cc1F ZINC000043626718 343617820 /nfs/dbraw/zinc/61/78/20/343617820.db2.gz RUPBSWSJFXGMOT-QMMMGPOBSA-N 0 0 211.236 2.108 10 0 BEAERN CCc1nc(N)c2cccc(Cl)c2n1 ZINC000234173598 343601167 /nfs/dbraw/zinc/60/11/67/343601167.db2.gz KJXZRHCANJWCSQ-UHFFFAOYSA-N 0 0 207.664 2.428 10 0 BEAERN CCCCN1CCc2cc(C=O)ccc2C1=O ZINC000168888333 343621504 /nfs/dbraw/zinc/62/15/04/343621504.db2.gz IQCDESHWFZEDOX-UHFFFAOYSA-N 0 0 231.295 2.298 10 0 BEAERN Cc1nn(C)c(N(C)Cc2ccc(C)cc2)c1N ZINC000036748994 178555639 /nfs/dbraw/zinc/55/56/39/178555639.db2.gz VTHUBLRIKYYKAF-UHFFFAOYSA-N 0 0 244.342 2.256 10 0 BEAERN c1cc2c(s1)[C@@H](c1cscn1)NCC2 ZINC000712526234 537789482 /nfs/dbraw/zinc/78/94/82/537789482.db2.gz IISXSFKNEVONOB-SECBINFHSA-N 0 0 222.338 2.440 10 0 BEAERN CCc1nc(-c2cccnc2)c(N)s1 ZINC000050308187 343613163 /nfs/dbraw/zinc/61/31/63/343613163.db2.gz NKKXBMQVCBMKKM-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN CC[C@H](C)C[S@](=O)CC(=O)NC(C)(C)CC ZINC000131789771 133498847 /nfs/dbraw/zinc/49/88/47/133498847.db2.gz KVUNMYHUDZLJAZ-MGPLVRAMSA-N 0 0 247.404 2.086 10 0 BEAERN C/C=C/[S@](=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC000205686236 343642707 /nfs/dbraw/zinc/64/27/07/343642707.db2.gz CAQWAXNRRGUXOI-YQNNXQOWSA-N 0 0 247.360 2.182 10 0 BEAERN Cc1ccnc(Sc2nsnc2Cl)n1 ZINC000051331759 343624783 /nfs/dbraw/zinc/62/47/83/343624783.db2.gz GZWIGQVYMMOBDV-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN O=C(N[C@H]1CCCCO1)OCc1ccccc1 ZINC000034567021 346950737 /nfs/dbraw/zinc/95/07/37/346950737.db2.gz FAHMIAUYPXDKIX-GFCCVEGCSA-N 0 0 235.283 2.439 10 0 BEAERN Nc1cnn(Cc2ccc(Cl)cc2F)c1 ZINC000067799206 537798592 /nfs/dbraw/zinc/79/85/92/537798592.db2.gz FYMSQZNZWBECSA-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN CCOC(=O)c1cnc(N[C@H]2C[C@H]2C)s1 ZINC000309067291 349825663 /nfs/dbraw/zinc/82/56/63/349825663.db2.gz AFYOBKXDGPHAIP-RQJHMYQMSA-N 0 0 226.301 2.140 10 0 BEAERN FC(F)C(F)(F)CNc1ccnc(Cl)n1 ZINC000230710794 346952480 /nfs/dbraw/zinc/95/24/80/346952480.db2.gz RKQVBTVFYGJPIA-UHFFFAOYSA-N 0 0 243.591 2.442 10 0 BEAERN C/C=C\[C@H](CF)N1C(=O)c2ccccc2C1=O ZINC000198840221 343677689 /nfs/dbraw/zinc/67/76/89/343677689.db2.gz YYORIIZWGKWFEC-JHYPKJRRSA-N 0 0 233.242 2.197 10 0 BEAERN CCc1[nH+]c2ccccc2c(N)c1C(=O)[O-] ZINC000114242217 343678338 /nfs/dbraw/zinc/67/83/38/343678338.db2.gz NGIBDYVRYXQEEV-UHFFFAOYSA-N 0 0 216.240 2.078 10 0 BEAERN CC(C)(C)OC(=O)c1cc(F)cnc1F ZINC000514277697 343652448 /nfs/dbraw/zinc/65/24/48/343652448.db2.gz YZWDQZFLHWUVEI-UHFFFAOYSA-N 0 0 215.199 2.315 10 0 BEAERN CC[C@H]1Cc2cc(OC)c(OC)cc2C=N1 ZINC000261304814 349827840 /nfs/dbraw/zinc/82/78/40/349827840.db2.gz IBWTYWVRKRDLGX-NSHDSACASA-N 0 0 219.284 2.457 10 0 BEAERN CC[C@@H]1CCC[C@]12O[C@]2(Cl)C(=O)OC ZINC000300027026 537802260 /nfs/dbraw/zinc/80/22/60/537802260.db2.gz KKINZNNOIYLGJZ-FKTZTGRPSA-N 0 0 218.680 2.074 10 0 BEAERN CC(C)n1c2ccccc2nc1NC[C@H](C)O ZINC000000513226 346952884 /nfs/dbraw/zinc/95/28/84/346952884.db2.gz JVZYEUVCHFWOCQ-JTQLQIEISA-N 0 0 233.315 2.410 10 0 BEAERN Nc1cc(Br)cc(-c2ncno2)c1 ZINC000230716746 346955465 /nfs/dbraw/zinc/95/54/65/346955465.db2.gz BBHUJAHTFIVMAC-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CCc1nc(N)sc1Br ZINC000057494333 343688946 /nfs/dbraw/zinc/68/89/46/343688946.db2.gz SFLOIOBTLLNAJH-UHFFFAOYSA-N 0 0 207.096 2.050 10 0 BEAERN O=C([O-])C1(CC2CCCC2)CC[NH2+]CC1 ZINC000062851398 343745318 /nfs/dbraw/zinc/74/53/18/343745318.db2.gz UCAZNXNDVFUVLU-UHFFFAOYSA-N 0 0 211.305 2.021 10 0 BEAERN Nc1ccnc2c(NC3CCC3)nsc21 ZINC000206896111 343713624 /nfs/dbraw/zinc/71/36/24/343713624.db2.gz AJJBZNDLRADNHJ-UHFFFAOYSA-N 0 0 220.301 2.238 10 0 BEAERN CC(=O)c1c(C)nn(CC(F)(F)F)c1C ZINC000054715974 343750375 /nfs/dbraw/zinc/75/03/75/343750375.db2.gz INHXWGJLAQCGAQ-UHFFFAOYSA-N 0 0 220.194 2.265 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCCCO1)C(C)(C)C ZINC000128218843 343764534 /nfs/dbraw/zinc/76/45/34/343764534.db2.gz RJMQRPRIYKEOIJ-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN Cc1ccc(F)c(C(=O)Nc2cnoc2)c1 ZINC000061685465 343766160 /nfs/dbraw/zinc/76/61/60/343766160.db2.gz RYIPJGVEPCBKMO-UHFFFAOYSA-N 0 0 220.203 2.374 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C)(O)C1 ZINC000217776234 343766273 /nfs/dbraw/zinc/76/62/73/343766273.db2.gz MMMVAIAUVIUSBN-SKDRFNHKSA-N 0 0 229.320 2.205 10 0 BEAERN CCN(c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1 ZINC000409427895 343802124 /nfs/dbraw/zinc/80/21/24/343802124.db2.gz CTCWDAGIOBXSLD-UHFFFAOYSA-N 0 0 237.303 2.047 10 0 BEAERN O=c1cc(-c2ccccc2F)nc(C2CC2)[nH]1 ZINC000044119528 343780698 /nfs/dbraw/zinc/78/06/98/343780698.db2.gz XRCNFTHTYMYTRX-UHFFFAOYSA-N 0 0 230.242 2.453 10 0 BEAERN Clc1nccnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000126398665 343786687 /nfs/dbraw/zinc/78/66/87/343786687.db2.gz DXAHFSJIHSXZEK-RKDXNWHRSA-N 0 0 223.707 2.366 10 0 BEAERN COC[C@H]1CCCCN1c1nccnc1Cl ZINC000307762009 343790113 /nfs/dbraw/zinc/79/01/13/343790113.db2.gz BVCDDUFPIBLFAZ-SECBINFHSA-N 0 0 241.722 2.135 10 0 BEAERN O=c1ccc(NCc2ccc(Cl)cc2)n[nH]1 ZINC000309561199 343790753 /nfs/dbraw/zinc/79/07/53/343790753.db2.gz JHXUKHUNMQSOIZ-UHFFFAOYSA-N 0 0 235.674 2.035 10 0 BEAERN O=c1cc(-c2cccs2)nc(C2CC2)[nH]1 ZINC000224803067 343793175 /nfs/dbraw/zinc/79/31/75/343793175.db2.gz OTJHWXSQFVTRNE-UHFFFAOYSA-N 0 0 218.281 2.376 10 0 BEAERN COC[C@H]1CCCN(c2ccccc2N)C1 ZINC000234871206 343794766 /nfs/dbraw/zinc/79/47/66/343794766.db2.gz OFLCTIJHCFCHKA-NSHDSACASA-N 0 0 220.316 2.132 10 0 BEAERN Cc1ccc(Cn2cc(C=O)nn2)c(Cl)c1 ZINC000235875152 343795270 /nfs/dbraw/zinc/79/52/70/343795270.db2.gz PUMBLTRTVOTMNH-UHFFFAOYSA-N 0 0 235.674 2.101 10 0 BEAERN O=Cc1ccc(-c2ncc(F)cn2)s1 ZINC000238549343 343795904 /nfs/dbraw/zinc/79/59/04/343795904.db2.gz KQCMWTBZJVNFSC-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN C[C@H](CCn1cc(C=O)nn1)c1ccccc1 ZINC000409426856 343799007 /nfs/dbraw/zinc/79/90/07/343799007.db2.gz SMRIBPVYNHOIKP-LLVKDONJSA-N 0 0 229.283 2.284 10 0 BEAERN OC[C@H](Cc1ccco1)CC(F)(F)F ZINC000409423228 343814888 /nfs/dbraw/zinc/81/48/88/343814888.db2.gz AXJQXDUREACDBC-SSDOTTSWSA-N 0 0 208.179 2.383 10 0 BEAERN O=C1CC(c2noc(C3CCCC3)n2)C1 ZINC000409425026 343818118 /nfs/dbraw/zinc/81/81/18/343818118.db2.gz JALCHCOJLNHDOR-UHFFFAOYSA-N 0 0 206.245 2.174 10 0 BEAERN CSc1nc(COc2ccccc2)cc(=O)[nH]1 ZINC000409432770 343827777 /nfs/dbraw/zinc/82/77/77/343827777.db2.gz XRDMELIORSNLRQ-UHFFFAOYSA-N 0 0 248.307 2.483 10 0 BEAERN C[C@@H](O)[C@@H]1CCCCN1c1ccccc1N ZINC000409425653 343820211 /nfs/dbraw/zinc/82/02/11/343820211.db2.gz GJKPMECVBWCQRM-PWSUYJOCSA-N 0 0 220.316 2.009 10 0 BEAERN O=Cc1ncn2c1CO[C@@H](c1ccsc1)C2 ZINC000409425783 343820297 /nfs/dbraw/zinc/82/02/97/343820297.db2.gz BKYHBJRBYNJOPL-LLVKDONJSA-N 0 0 234.280 2.029 10 0 BEAERN O=c1ccc(N2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000409426198 343821948 /nfs/dbraw/zinc/82/19/48/343821948.db2.gz DQHRMRMVTSQGIQ-QWRGUYRKSA-N 0 0 233.315 2.341 10 0 BEAERN Cc1ccc(Cc2cc(=O)[nH]c(C)n2)cc1 ZINC000409431457 343823498 /nfs/dbraw/zinc/82/34/98/343823498.db2.gz QSDGRISTRIVPKQ-UHFFFAOYSA-N 0 0 214.268 2.390 10 0 BEAERN C[C@@H](Oc1ccccc1)c1cc(=O)[nH]cn1 ZINC000409431580 343824030 /nfs/dbraw/zinc/82/40/30/343824030.db2.gz RHKWDPFFFVTYKX-SECBINFHSA-N 0 0 216.240 2.322 10 0 BEAERN CC(C)C1CCC([C@H](C[NH3+])C(=O)[O-])CC1 ZINC000238113186 537817424 /nfs/dbraw/zinc/81/74/24/537817424.db2.gz AIYBUFIBYFKIHZ-ILDUYXDCSA-N 0 0 213.321 2.108 10 0 BEAERN CC[C@@](C)(OC)c1nccc(Cl)n1 ZINC000159250364 349873781 /nfs/dbraw/zinc/87/37/81/349873781.db2.gz OYOCVWCCANFEEV-SECBINFHSA-N 0 0 200.669 2.402 10 0 BEAERN Nc1ccccc1N1CCC(CF)CC1 ZINC000409432114 343825336 /nfs/dbraw/zinc/82/53/36/343825336.db2.gz UIZXKFORFKDMAT-UHFFFAOYSA-N 0 0 208.280 2.455 10 0 BEAERN CCOC(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000238290621 537818250 /nfs/dbraw/zinc/81/82/50/537818250.db2.gz XXPQQQGODCZOOM-UHFFFAOYSA-N 0 0 222.269 2.315 10 0 BEAERN Cc1cc(-c2cc(Cl)nc(C)n2)n(C)n1 ZINC000409428479 343803822 /nfs/dbraw/zinc/80/38/22/343803822.db2.gz GDURLWZEOHXYMF-UHFFFAOYSA-N 0 0 222.679 2.147 10 0 BEAERN Nc1ccccc1N1CC[C@@H](C(F)F)C1 ZINC000409429001 343804599 /nfs/dbraw/zinc/80/45/99/343804599.db2.gz NNMGCVKSDFYSDQ-MRVPVSSYSA-N 0 0 212.243 2.360 10 0 BEAERN COC(=O)CCc1c(C)[nH]nc1C1CCCC1 ZINC000409440992 343854493 /nfs/dbraw/zinc/85/44/93/343854493.db2.gz OXWXUDVNVVAIBB-UHFFFAOYSA-N 0 0 236.315 2.481 10 0 BEAERN CCn1ccn2nc(-c3ccncc3)cc12 ZINC000409440128 343854650 /nfs/dbraw/zinc/85/46/50/343854650.db2.gz VYOZESVKBOEVMI-UHFFFAOYSA-N 0 0 212.256 2.218 10 0 BEAERN CC(C)c1[nH]nc(-c2ccoc2)c1CO ZINC000409441021 343855197 /nfs/dbraw/zinc/85/51/97/343855197.db2.gz PGPNHYAEKMXOAL-UHFFFAOYSA-N 0 0 206.245 2.285 10 0 BEAERN Nc1cccnc1N1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433748 343830121 /nfs/dbraw/zinc/83/01/21/343830121.db2.gz ZCSMUFVXFITLGW-RKDXNWHRSA-N 0 0 239.269 2.145 10 0 BEAERN O=c1cc(CCCc2ccccc2)nc[nH]1 ZINC000409433216 343831599 /nfs/dbraw/zinc/83/15/99/343831599.db2.gz YKFYLEHZLWOBSO-UHFFFAOYSA-N 0 0 214.268 2.358 10 0 BEAERN CCOC[C@H]1CN(c2ccccc2N)C[C@H]1C ZINC000409436400 343839308 /nfs/dbraw/zinc/83/93/08/343839308.db2.gz ZPEMWYMMUFCVOX-VXGBXAGGSA-N 0 0 234.343 2.378 10 0 BEAERN CCCn1c(=O)[nH]c(=S)cc1C(C)(C)C ZINC000409437588 343841201 /nfs/dbraw/zinc/84/12/01/343841201.db2.gz HJFZKSGAZQNXNY-UHFFFAOYSA-N 0 0 226.345 2.240 10 0 BEAERN O=c1cc(-c2cccs2)[n-]n1[C@H]1CCC[NH2+]C1 ZINC000409436820 343841277 /nfs/dbraw/zinc/84/12/77/343841277.db2.gz AYTQHFOIQLRYPM-VIFPVBQESA-N 0 0 249.339 2.242 10 0 BEAERN [NH3+]Cc1cc(Cc2cccs2)nc(C2CC2)n1 ZINC000409437637 343842969 /nfs/dbraw/zinc/84/29/69/343842969.db2.gz HXGJVRYKQNNOCB-UHFFFAOYSA-N 0 0 245.351 2.465 10 0 BEAERN CC(C)Cn1cc(CO)c(-c2cccnc2)n1 ZINC000409438579 343844766 /nfs/dbraw/zinc/84/47/66/343844766.db2.gz LWXLZCGDJWLTMU-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN CC(C)c1[nH]nc(-c2ccco2)c1CCO ZINC000409438833 343845348 /nfs/dbraw/zinc/84/53/48/343845348.db2.gz GCZZWXBTXJQXEJ-UHFFFAOYSA-N 0 0 220.272 2.328 10 0 BEAERN O=c1cc(-c2cccs2)[n-]n1C[C@@H]1CCC[NH2+]1 ZINC000409439164 343846378 /nfs/dbraw/zinc/84/63/78/343846378.db2.gz OAIPFQCJWQQMAN-VIFPVBQESA-N 0 0 249.339 2.069 10 0 BEAERN CCn1cc(CO)c(-c2ccsc2)n1 ZINC000409439306 343846755 /nfs/dbraw/zinc/84/67/55/343846755.db2.gz OSGNIXWLVOADOR-UHFFFAOYSA-N 0 0 208.286 2.124 10 0 BEAERN NCc1nc(C2(n3cccc3)CCCCC2)no1 ZINC000409439627 343847828 /nfs/dbraw/zinc/84/78/28/343847828.db2.gz HSFJLNJUURKWKX-UHFFFAOYSA-N 0 0 246.314 2.038 10 0 BEAERN CCn1ccn2nc(-c3ccccn3)cc12 ZINC000409438092 343849802 /nfs/dbraw/zinc/84/98/02/343849802.db2.gz KIUVPQQOEZNVBL-UHFFFAOYSA-N 0 0 212.256 2.218 10 0 BEAERN CCc1cc(-c2ccsc2)nn1CCO ZINC000409440310 343851919 /nfs/dbraw/zinc/85/19/19/343851919.db2.gz MHDKEDMUSNHNOS-UHFFFAOYSA-N 0 0 222.313 2.166 10 0 BEAERN CCc1cc(-c2ccsc2)nn1CO ZINC000409441578 343860119 /nfs/dbraw/zinc/86/01/19/343860119.db2.gz RVLLVZDDEHRJNF-UHFFFAOYSA-N 0 0 208.286 2.124 10 0 BEAERN CCn1nc(-c2ccsc2)cc1C=O ZINC000409444040 343864122 /nfs/dbraw/zinc/86/41/22/343864122.db2.gz ZEJIAYVYNIEZLM-UHFFFAOYSA-N 0 0 206.270 2.444 10 0 BEAERN CC(C)n1nc(-c2cccnc2)cc1CO ZINC000409444057 343864146 /nfs/dbraw/zinc/86/41/46/343864146.db2.gz ZKGFFTJXYHRWBL-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN CC(C)Cn1nc(C(F)(F)F)cc1CO ZINC000409442952 343864868 /nfs/dbraw/zinc/86/48/68/343864868.db2.gz DPIDCAVXRHVFJK-UHFFFAOYSA-N 0 0 222.210 2.050 10 0 BEAERN CC(C)n1nc(-c2ccccn2)cc1CO ZINC000409442882 343864888 /nfs/dbraw/zinc/86/48/88/343864888.db2.gz CKQZUSMPOZGBCO-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN COCCn1nc(-c2cccs2)cc1C=O ZINC000409443056 343865580 /nfs/dbraw/zinc/86/55/80/343865580.db2.gz GEILCMRYIUJBTA-UHFFFAOYSA-N 0 0 236.296 2.071 10 0 BEAERN Cc1ccc(Br)cc1[C@@H](C)NN ZINC000127169224 343884936 /nfs/dbraw/zinc/88/49/36/343884936.db2.gz IDGPMVDAKVFGHP-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN CCCc1cc(C(=O)OCC)nc(C2CC2)n1 ZINC000575622098 343868321 /nfs/dbraw/zinc/86/83/21/343868321.db2.gz DVUZBRITDOXTTN-UHFFFAOYSA-N 0 0 234.299 2.483 10 0 BEAERN CCC(CC)c1cc(C(=O)OC)nc(C)n1 ZINC000575622487 343869067 /nfs/dbraw/zinc/86/90/67/343869067.db2.gz MKQFCVKBWFNMRD-UHFFFAOYSA-N 0 0 222.288 2.475 10 0 BEAERN Cc1nc(N)cc(CCC2CCCC2)n1 ZINC000575622324 343869111 /nfs/dbraw/zinc/86/91/11/343869111.db2.gz QTVUZVVBOZOIQP-UHFFFAOYSA-N 0 0 205.305 2.320 10 0 BEAERN O=c1cc(-c2ccsc2)[nH]c(=O)n1C1CC1 ZINC000575622279 343869138 /nfs/dbraw/zinc/86/91/38/343869138.db2.gz ONZWKVYQDCQNPV-UHFFFAOYSA-N 0 0 234.280 2.012 10 0 BEAERN Cc1nc(N)cc([C@@H](C)Oc2ccccc2)n1 ZINC000575622313 343869221 /nfs/dbraw/zinc/86/92/21/343869221.db2.gz QMQDNQIMXIEEAO-SECBINFHSA-N 0 0 229.283 2.338 10 0 BEAERN Cc1nc(N)cc(CCCc2ccccc2)n1 ZINC000575621779 343869907 /nfs/dbraw/zinc/86/99/07/343869907.db2.gz AOCDVFLPBRAHGP-UHFFFAOYSA-N 0 0 227.311 2.373 10 0 BEAERN CC[C@@H](c1ccccc1)c1cc(N)ncn1 ZINC000575621895 343870468 /nfs/dbraw/zinc/87/04/68/343870468.db2.gz DPIFKCRMMUQRBL-NSHDSACASA-N 0 0 213.284 2.431 10 0 BEAERN CCOC(=O)c1cc([C@H](C)CC)ncn1 ZINC000575622012 343870887 /nfs/dbraw/zinc/87/08/87/343870887.db2.gz CPQVUXRMMCQZND-MRVPVSSYSA-N 0 0 208.261 2.167 10 0 BEAERN Cc1cn(CC[C@@H]2C[C@@H]2C2CC2)nc1N ZINC000714767883 537832121 /nfs/dbraw/zinc/83/21/21/537832121.db2.gz AMMANWMGSLDXFY-GHMZBOCLSA-N 0 0 205.305 2.210 10 0 BEAERN Clc1cc2c(cn1)ncn2C1CCOCC1 ZINC000222107537 343897641 /nfs/dbraw/zinc/89/76/41/343897641.db2.gz KMZQXUKMIFSEPW-UHFFFAOYSA-N 0 0 237.690 2.436 10 0 BEAERN Nc1nn(CCc2ccccc2)cc1Cl ZINC000069759613 537832334 /nfs/dbraw/zinc/83/23/34/537832334.db2.gz IPTYZOBGPBVGDF-UHFFFAOYSA-N 0 0 221.691 2.361 10 0 BEAERN Cc1nn(CC[C@@H]2C[C@H]2C2CC2)cc1N ZINC000714781686 537832769 /nfs/dbraw/zinc/83/27/69/537832769.db2.gz OZWDMBYBSXKWAB-MNOVXSKESA-N 0 0 205.305 2.210 10 0 BEAERN Cc1nc(C[C@]2(O)C=CCCC2)cs1 ZINC000135117542 343937815 /nfs/dbraw/zinc/93/78/15/343937815.db2.gz NGOXZGHUJXJEDN-NSHDSACASA-N 0 0 209.314 2.465 10 0 BEAERN C[C@@H]1CCCCC[C@H]1NC(=O)C(F)F ZINC000235268743 343947311 /nfs/dbraw/zinc/94/73/11/343947311.db2.gz JUDUMQNLMHNOHL-HTQZYQBOSA-N 0 0 205.248 2.337 10 0 BEAERN CC[C@H]1Oc2ccc(Cl)cc2NC1=O ZINC000004671642 343942954 /nfs/dbraw/zinc/94/29/54/343942954.db2.gz ISZNNCJTDKUOOM-MRVPVSSYSA-N 0 0 211.648 2.450 10 0 BEAERN Cc1nn(C)c(Cl)c1C[C@H]1CCCC1=O ZINC000135138811 343943038 /nfs/dbraw/zinc/94/30/38/343943038.db2.gz VJPMRKWHBOCXPH-MRVPVSSYSA-N 0 0 226.707 2.294 10 0 BEAERN Nc1ncc(Cl)cc1C[C@@H]1CCCO1 ZINC000069943677 343944681 /nfs/dbraw/zinc/94/46/81/343944681.db2.gz PTECUFSANOPWGD-VIFPVBQESA-N 0 0 212.680 2.039 10 0 BEAERN C[C@@H]1CC(=O)CCN1CC=C(Cl)Cl ZINC000407454949 343947640 /nfs/dbraw/zinc/94/76/40/343947640.db2.gz NMYWXEAIDFTSKN-SSDOTTSWSA-N 0 0 222.115 2.359 10 0 BEAERN CC[C@@H](C)c1nnc(Br)o1 ZINC000157851928 344042431 /nfs/dbraw/zinc/04/24/31/344042431.db2.gz FZMXAQZSIJNRFP-SCSAIBSYSA-N 0 0 205.055 2.346 10 0 BEAERN CC[C@@H]1COCCN1c1ccc(C=O)s1 ZINC000070609276 343952845 /nfs/dbraw/zinc/95/28/45/343952845.db2.gz CNSIXMZUVOJJGC-SECBINFHSA-N 0 0 225.313 2.176 10 0 BEAERN CC1(C)COCCN1c1ccc(C=O)s1 ZINC000070609306 343953068 /nfs/dbraw/zinc/95/30/68/343953068.db2.gz MKFKZNZFPMFISO-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN Cc1ncsc1Cn1cccc1C=O ZINC000070837406 343956414 /nfs/dbraw/zinc/95/64/14/343956414.db2.gz QMRYYWJJEBLZNK-UHFFFAOYSA-N 0 0 206.270 2.114 10 0 BEAERN FC(F)(F)CNC1=NC[C@@H](C2CC2)S1 ZINC000070887331 343956870 /nfs/dbraw/zinc/95/68/70/343956870.db2.gz LHZXKSURJITPIQ-LURJTMIESA-N 0 0 224.251 2.020 10 0 BEAERN C[C@@H]1C[C@@](O)(CCC(F)(F)F)CCO1 ZINC000070917411 343957551 /nfs/dbraw/zinc/95/75/51/343957551.db2.gz DVEIAJGGDYLSHF-HTQZYQBOSA-N 0 0 212.211 2.259 10 0 BEAERN C[C@H]1C[C@H]1c1nnc(Br)s1 ZINC000071051559 343959435 /nfs/dbraw/zinc/95/94/35/343959435.db2.gz VNHOCWHONCWCPV-IUYQGCFVSA-N 0 0 219.107 2.424 10 0 BEAERN COC(=O)Cc1nc2c(cccc2OC)s1 ZINC000393799397 343959694 /nfs/dbraw/zinc/95/96/94/343959694.db2.gz OCKXHETTWYAZSU-UHFFFAOYSA-N 0 0 237.280 2.020 10 0 BEAERN Cc1nnc(Cl)n1-c1ccc(F)cc1 ZINC000071052991 343959739 /nfs/dbraw/zinc/95/97/39/343959739.db2.gz FWKXEJIBVZEFLS-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN Fc1ccccc1Cn1cnnc1Cl ZINC000071053027 343959768 /nfs/dbraw/zinc/95/97/68/343959768.db2.gz JLEXLJAMFHATFD-UHFFFAOYSA-N 0 0 211.627 2.119 10 0 BEAERN COC[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000135192834 343964904 /nfs/dbraw/zinc/96/49/04/343964904.db2.gz GGMJPGAUEMSQSN-RNJOBUHISA-N 0 0 239.359 2.449 10 0 BEAERN Cc1nc([C@H]2NC[C@H](C)CS2)cs1 ZINC000126791624 344103382 /nfs/dbraw/zinc/10/33/82/344103382.db2.gz PDZOQTLVURCQBM-RCOVLWMOSA-N 0 0 214.359 2.423 10 0 BEAERN Nc1c(Cl)cc(CCO)cc1Cl ZINC000616569379 344170506 /nfs/dbraw/zinc/17/05/06/344170506.db2.gz RNABMGDXXLRPAD-UHFFFAOYSA-N 0 0 206.072 2.110 10 0 BEAERN Cc1ccncc1C1N=NC(=S)S1 ZINC000235778964 344130637 /nfs/dbraw/zinc/13/06/37/344130637.db2.gz JINXKMRXVLGBKK-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN COC(=O)c1ccnc(N[C@H](C)C(C)C)c1 ZINC000220280437 344134988 /nfs/dbraw/zinc/13/49/88/344134988.db2.gz DPTKAVWPXXSCPP-SECBINFHSA-N 0 0 222.288 2.325 10 0 BEAERN COC(=O)C(C)(C)C[C@@H]1CCCOC1 ZINC000585143309 344176818 /nfs/dbraw/zinc/17/68/18/344176818.db2.gz ZFIYPNSKWVCZEC-VIFPVBQESA-N 0 0 200.278 2.002 10 0 BEAERN CCO[C@H](C)S[C@@H]1CCCC[C@@H]1O ZINC000220294654 344139045 /nfs/dbraw/zinc/13/90/45/344139045.db2.gz GWNOCTHYMOWIMD-LPEHRKFASA-N 0 0 204.335 2.406 10 0 BEAERN COC(=O)C(C)(C)C[C@H]1CCCOC1 ZINC000585143308 344177014 /nfs/dbraw/zinc/17/70/14/344177014.db2.gz ZFIYPNSKWVCZEC-SECBINFHSA-N 0 0 200.278 2.002 10 0 BEAERN O=c1cc(-c2ccncc2)c2cccc(O)c2[nH]1 ZINC000026491828 344145936 /nfs/dbraw/zinc/14/59/36/344145936.db2.gz IIOBLRSVXSHRQK-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN O=C(c1ccc(O)cc1)c1cc(O)cc(O)c1 ZINC000026569797 344150618 /nfs/dbraw/zinc/15/06/18/344150618.db2.gz QXRGOOONSJPVAX-UHFFFAOYSA-N 0 0 230.219 2.034 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CCCC2(C)C ZINC000234585598 344154107 /nfs/dbraw/zinc/15/41/07/344154107.db2.gz WSJBHMDYSNHBJR-NXEZZACHSA-N 0 0 218.680 2.074 10 0 BEAERN COc1ccc([C@@H]2CCC[C@H]2O)cc1OC ZINC000055230345 259373815 /nfs/dbraw/zinc/37/38/15/259373815.db2.gz OQBWLENGGHITAO-WDEREUQCSA-N 0 0 222.284 2.332 10 0 BEAERN CCn1ccnc1CSC1CCOCC1 ZINC000130998507 344218528 /nfs/dbraw/zinc/21/85/28/344218528.db2.gz NRVGUCMNPVKZCG-UHFFFAOYSA-N 0 0 226.345 2.315 10 0 BEAERN CCc1csc(N[C@@H](C)[C@@H](C)CO)n1 ZINC000130602159 344222588 /nfs/dbraw/zinc/22/25/88/344222588.db2.gz FTDKRZBRDJJUSE-YUMQZZPRSA-N 0 0 214.334 2.134 10 0 BEAERN CCc1csc(N[C@H](C)[C@@H](C)CO)n1 ZINC000130602357 344222835 /nfs/dbraw/zinc/22/28/35/344222835.db2.gz FTDKRZBRDJJUSE-JGVFFNPUSA-N 0 0 214.334 2.134 10 0 BEAERN COc1cc(Br)c(F)cc1CO ZINC000216947250 344190740 /nfs/dbraw/zinc/19/07/40/344190740.db2.gz ZTCYLJNDLITAHH-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN Cc1cn2c(cnc(Br)c2Cl)n1 ZINC000217558263 344201364 /nfs/dbraw/zinc/20/13/64/344201364.db2.gz UUSCVDMELNQVJG-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Cc1ccc(C[C@@H]2CSCC2=O)cc1 ZINC000076640760 178650543 /nfs/dbraw/zinc/65/05/43/178650543.db2.gz QACLALRPABEENQ-LLVKDONJSA-N 0 0 206.310 2.470 10 0 BEAERN CCOC(=O)C1=NN(CC)[C@@H](c2ccccc2)C1 ZINC000219171105 344267276 /nfs/dbraw/zinc/26/72/76/344267276.db2.gz TZZHTIXUACCJKP-CYBMUJFWSA-N 0 0 246.310 2.372 10 0 BEAERN CNc1cc(C#N)ccc1Br ZINC000219301647 344273556 /nfs/dbraw/zinc/27/35/56/344273556.db2.gz HAGCDSWMRVFWHH-UHFFFAOYSA-N 0 0 211.062 2.362 10 0 BEAERN Cc1cncc(-c2cn[nH]c(=S)c2)c1 ZINC000235931852 344273892 /nfs/dbraw/zinc/27/38/92/344273892.db2.gz DDWAQHIPZNQHEW-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN O=C1c2cncc(Br)c2CC[C@@H]1F ZINC000220323135 344324785 /nfs/dbraw/zinc/32/47/85/344324785.db2.gz DLAKZENORYZENU-QMMMGPOBSA-N 0 0 244.063 2.311 10 0 BEAERN Cc1ccc(Cl)c(NC(N)=O)c1F ZINC000075903277 178657217 /nfs/dbraw/zinc/65/72/17/178657217.db2.gz FNKDXAVWIAPTER-UHFFFAOYSA-N 0 0 202.616 2.278 10 0 BEAERN CCOC(=O)c1ccc(F)c(F)c1OC ZINC000238263475 344354694 /nfs/dbraw/zinc/35/46/94/344354694.db2.gz ABFRRJBUFXQMSJ-UHFFFAOYSA-N 0 0 216.183 2.150 10 0 BEAERN Nc1ccc(N)c2ncc(Br)cc12 ZINC000236348943 344356273 /nfs/dbraw/zinc/35/62/73/344356273.db2.gz RYUNWIDIJAGMBY-UHFFFAOYSA-N 0 0 238.088 2.162 10 0 BEAERN Oc1ccc2c(c1)CC[C@H](c1cnccn1)O2 ZINC000145528463 344301251 /nfs/dbraw/zinc/30/12/51/344301251.db2.gz HDFCUPVSKRDDDT-CYBMUJFWSA-N 0 0 228.251 2.249 10 0 BEAERN COC(=O)c1cnc(C)c(Br)c1C ZINC000223020557 344307470 /nfs/dbraw/zinc/30/74/70/344307470.db2.gz RHMACOFOSAMNHB-UHFFFAOYSA-N 0 0 244.088 2.248 10 0 BEAERN Nc1ccc2nc(-c3cscn3)cn2c1 ZINC000084396618 344427109 /nfs/dbraw/zinc/42/71/09/344427109.db2.gz WDKGXJJVRWCBRE-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN C[C@H]([NH3+])c1csc(-c2ccncc2)n1 ZINC000011568397 344376378 /nfs/dbraw/zinc/37/63/78/344376378.db2.gz BWMRZSQVGCYFOI-ZETCQYMHSA-N 0 0 205.286 2.225 10 0 BEAERN Cc1ccc(C(N)=O)c(Br)c1C ZINC000145717580 344385885 /nfs/dbraw/zinc/38/58/85/344385885.db2.gz NJKBNBCSMWGWMY-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN CNc1c(N)ccc(F)c1Br ZINC000145729084 344387764 /nfs/dbraw/zinc/38/77/64/344387764.db2.gz QZNZGEODNPFQHQ-UHFFFAOYSA-N 0 0 219.057 2.212 10 0 BEAERN OCc1c[nH+]ccc1NCc1ccccc1 ZINC000143023835 344399288 /nfs/dbraw/zinc/39/92/88/344399288.db2.gz RTGKTXXPBLDWDX-UHFFFAOYSA-N 0 0 214.268 2.186 10 0 BEAERN Cc1cc(Br)cc2[nH]nc(N)c21 ZINC000143044543 344399301 /nfs/dbraw/zinc/39/93/01/344399301.db2.gz LKQICBRMMUEOJJ-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN COc1cccc([C@H]2CCCC(=O)O2)c1 ZINC000139565477 344405597 /nfs/dbraw/zinc/40/55/97/344405597.db2.gz IDRQCIDPLRHWOC-LLVKDONJSA-N 0 0 206.241 2.463 10 0 BEAERN COC(=O)c1ccc([C@H](O)C2CCC2)cc1 ZINC000205496556 344407249 /nfs/dbraw/zinc/40/72/49/344407249.db2.gz JOUWZUOFXMEWGI-GFCCVEGCSA-N 0 0 220.268 2.307 10 0 BEAERN O[C@@]1(C(F)(F)F)CCCc2occc21 ZINC000166099682 344503330 /nfs/dbraw/zinc/50/33/30/344503330.db2.gz IYYXUJPMPGGXHQ-QMMMGPOBSA-N 0 0 206.163 2.366 10 0 BEAERN Cc1nsc(N[C@@H]2CCC[C@H](O)C2)c1C#N ZINC000381501708 344513656 /nfs/dbraw/zinc/51/36/56/344513656.db2.gz PMBKHWFHBVQART-BDAKNGLRSA-N 0 0 237.328 2.039 10 0 BEAERN O=[N+]([O-])c1sccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000381623279 344527452 /nfs/dbraw/zinc/52/74/52/344527452.db2.gz FXTAIROVXMLBOC-HTQZYQBOSA-N 0 0 242.300 2.372 10 0 BEAERN COC(=O)c1cnn2c1c(C)ccc2Cl ZINC000044185239 344537938 /nfs/dbraw/zinc/53/79/38/344537938.db2.gz JTYOAYLEOIPLQY-UHFFFAOYSA-N 0 0 224.647 2.083 10 0 BEAERN C[C@@H]1C[C@@H](C)N(c2nsnc2Cl)C1 ZINC000158098480 344542006 /nfs/dbraw/zinc/54/20/06/344542006.db2.gz WKAPMKXRTMDUSK-PHDIDXHHSA-N 0 0 217.725 2.426 10 0 BEAERN C[C@@H]1C[C@H](C)CN1c1nc(Cl)nc(Cl)n1 ZINC000158096494 344542017 /nfs/dbraw/zinc/54/20/17/344542017.db2.gz XUUSQYSQLKDJBV-NTSWFWBYSA-N 0 0 247.129 2.413 10 0 BEAERN Nc1ncnc(C2CCCC2)c1Br ZINC000127505771 344553549 /nfs/dbraw/zinc/55/35/49/344553549.db2.gz OEEXHDKHKKBWTE-UHFFFAOYSA-N 0 0 242.120 2.479 10 0 BEAERN C[C@H]1C[C@H](C)N(C2N=NC(=S)S2)C1 ZINC000158164635 344558487 /nfs/dbraw/zinc/55/84/87/344558487.db2.gz UYXSEYDKHUVYTE-WDSKDSINSA-N 0 0 215.347 2.062 10 0 BEAERN CCOC(=O)N1CCC[C@@H](Nc2ccccn2)C1 ZINC000616617447 344558806 /nfs/dbraw/zinc/55/88/06/344558806.db2.gz YCSSECRUGFNZPZ-LLVKDONJSA-N 0 0 249.314 2.114 10 0 BEAERN Cc1ccc(F)c(NCCC(=O)NC(C)C)c1 ZINC000054048091 178675981 /nfs/dbraw/zinc/67/59/81/178675981.db2.gz QUMOTNSJECZMOX-UHFFFAOYSA-N 0 0 238.306 2.461 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127670089 344594529 /nfs/dbraw/zinc/59/45/29/344594529.db2.gz HCRYOTRSVIMTMT-JQWIXIFHSA-N 0 0 213.321 2.360 10 0 BEAERN Cn1c(-c2cnc(N)o2)cc2ccccc21 ZINC000259298245 344578309 /nfs/dbraw/zinc/57/83/09/344578309.db2.gz DLYJYMHEESJKQA-UHFFFAOYSA-N 0 0 213.240 2.416 10 0 BEAERN CC(C)=CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000046495367 344578658 /nfs/dbraw/zinc/57/86/58/344578658.db2.gz ZAURKCXQHAHYLJ-NEPJUHHUSA-N 0 0 223.316 2.123 10 0 BEAERN CC(C)[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000220782481 344584356 /nfs/dbraw/zinc/58/43/56/344584356.db2.gz GRESNQMQDUOIQR-JTQLQIEISA-N 0 0 229.320 2.278 10 0 BEAERN COC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000048484996 344587705 /nfs/dbraw/zinc/58/77/05/344587705.db2.gz OZQKBEUUNDNNQZ-UHFFFAOYSA-N 0 0 220.268 2.439 10 0 BEAERN COc1cc(F)c(OC)c(OC(F)F)c1 ZINC000396122502 344609057 /nfs/dbraw/zinc/60/90/57/344609057.db2.gz BRFFWSBFVNAYTK-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN N#Cc1ccc(F)c(OC(F)(F)F)c1N ZINC000396144952 344618278 /nfs/dbraw/zinc/61/82/78/344618278.db2.gz REBQLBUQFLIIQO-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)c1c(C)ccc([N+](=O)[O-])c1F ZINC000396123495 344609530 /nfs/dbraw/zinc/60/95/30/344609530.db2.gz ZOBXCMUYVUVLMN-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOc1c(F)cc(OC)cc1OC ZINC000396125409 344609893 /nfs/dbraw/zinc/60/98/93/344609893.db2.gz HTSDFDNQJXPMAX-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN Cc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)on1 ZINC000158350088 344611241 /nfs/dbraw/zinc/61/12/41/344611241.db2.gz NCNOCZGJQUSENC-ZJUUUORDSA-N 0 0 236.315 2.491 10 0 BEAERN COc1cc(F)cc(OC)c1OC(F)F ZINC000396128381 344611734 /nfs/dbraw/zinc/61/17/34/344611734.db2.gz RSKSWMMKGQCIHO-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN CCOC(=O)c1cc(O)c(CC)c(C#N)c1 ZINC000396135921 344612964 /nfs/dbraw/zinc/61/29/64/344612964.db2.gz KANYRMFVPKLDRT-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN COC(=O)c1cc(Cl)cnc1OC(F)F ZINC000396139224 344614463 /nfs/dbraw/zinc/61/44/63/344614463.db2.gz UJECMMBCXYZSIG-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)Cc1c(C)c(Cl)ccc1C#N ZINC000396145231 344618538 /nfs/dbraw/zinc/61/85/38/344618538.db2.gz RXLDXGLBRFDRIV-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(C#N)c1O ZINC000396142594 344616434 /nfs/dbraw/zinc/61/64/34/344616434.db2.gz IVYHNSQHUJFPPV-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN COC(=O)c1ccc(Cl)c(OC)c1C#N ZINC000396143065 344616716 /nfs/dbraw/zinc/61/67/16/344616716.db2.gz LJQPFJHHDYCGNY-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)c1ccc(C)c(C#N)c1F ZINC000396142734 344616833 /nfs/dbraw/zinc/61/68/33/344616833.db2.gz JRHJTKKMPQCPTK-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1c(C)ccc(C#N)c1F ZINC000396143080 344616879 /nfs/dbraw/zinc/61/68/79/344616879.db2.gz LLZSBUSFXNDIRO-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1cc(C)cc(F)c1C#N ZINC000396143691 344617007 /nfs/dbraw/zinc/61/70/07/344617007.db2.gz NNDOHMZUQSSBOS-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)c1c(C#N)ccc(Cl)c1OC ZINC000396143402 344617017 /nfs/dbraw/zinc/61/70/17/344617017.db2.gz MNXTZPJQIYCFCJ-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN COC(=O)c1cc(OC)cc(C#N)c1Cl ZINC000396145466 344618687 /nfs/dbraw/zinc/61/86/87/344618687.db2.gz HNGLIHNPNOZRJX-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN OCc1cnc(OC(F)F)c(C(F)(F)F)c1 ZINC000396091728 344599573 /nfs/dbraw/zinc/59/95/73/344599573.db2.gz DJVNAWBKSFQGCA-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN CC(C)c1cnc(I)o1 ZINC000230400325 344601359 /nfs/dbraw/zinc/60/13/59/344601359.db2.gz RKCVTTYCVVGGCC-UHFFFAOYSA-N 0 0 237.040 2.403 10 0 BEAERN Cc1cn(C)c2cc(-c3ccccc3)nn2c1=O ZINC000029416266 344601956 /nfs/dbraw/zinc/60/19/56/344601956.db2.gz XYWGTISVDLYJOR-UHFFFAOYSA-N 0 0 239.278 2.008 10 0 BEAERN OCc1ccnc(C(F)(F)F)c1OC(F)F ZINC000396098501 344602183 /nfs/dbraw/zinc/60/21/83/344602183.db2.gz QJZOWUBKHFJGMR-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COc1cc(N)c(F)c(OC(F)(F)F)c1 ZINC000396101645 344602322 /nfs/dbraw/zinc/60/23/22/344602322.db2.gz GUAFVKCWRHPSAA-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN N#Cc1ccc(OC(F)(F)F)c(N)c1F ZINC000396144949 344618086 /nfs/dbraw/zinc/61/80/86/344618086.db2.gz RDQNEPHNZUNGIO-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN OCc1ncc(OC(F)F)cc1C(F)(F)F ZINC000396103240 344602900 /nfs/dbraw/zinc/60/29/00/344602900.db2.gz XTLPTVWSTMVMCW-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COc1cc(F)c(N)cc1OC(F)(F)F ZINC000396106422 344603214 /nfs/dbraw/zinc/60/32/14/344603214.db2.gz QKQYIFXDQZPBTA-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN COC(=O)c1cc(F)c(F)cc1OC(F)F ZINC000396105202 344603317 /nfs/dbraw/zinc/60/33/17/344603317.db2.gz NQIUTMAVOPUXPT-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COC(=O)c1cc(F)c(OC(F)F)cc1F ZINC000396104849 344603508 /nfs/dbraw/zinc/60/35/08/344603508.db2.gz NCQHAFUXVGBZAX-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN COc1cc(F)c(N)c(OC(F)(F)F)c1 ZINC000396109538 344605223 /nfs/dbraw/zinc/60/52/23/344605223.db2.gz YRWSUCRWBVCQJK-UHFFFAOYSA-N 0 0 225.141 2.315 10 0 BEAERN CCOC(=O)c1nccc(F)c1C(F)(F)F ZINC000396118103 344607446 /nfs/dbraw/zinc/60/74/46/344607446.db2.gz YHWPPEGOMOYOES-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CN(C)c1c(C=O)cccc1OC(F)(F)F ZINC000396118968 344607937 /nfs/dbraw/zinc/60/79/37/344607937.db2.gz NVZBVOAJGCDHIB-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN N#Cc1ccc(F)c(N)c1OC(F)(F)F ZINC000396144965 344618246 /nfs/dbraw/zinc/61/82/46/344618246.db2.gz RICUCOAVOOPPKB-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN COC(=O)c1cc(OC(F)F)cc(F)c1F ZINC000396121065 344608466 /nfs/dbraw/zinc/60/84/66/344608466.db2.gz SZBLRUZIUWJEGC-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN Cc1nc(CN(C)[C@H]2CCCC2=O)cs1 ZINC000050142836 344649842 /nfs/dbraw/zinc/64/98/42/344649842.db2.gz DPUQBGBIFJDBDJ-JTQLQIEISA-N 0 0 224.329 2.005 10 0 BEAERN CCC(=O)CN1CCc2ccccc2C1 ZINC000050179693 344652877 /nfs/dbraw/zinc/65/28/77/344652877.db2.gz LICPLQIWUKOBCE-UHFFFAOYSA-N 0 0 203.285 2.024 10 0 BEAERN CCOC(=O)c1ccnc([C@@H](C)CC)n1 ZINC000300730827 537854050 /nfs/dbraw/zinc/85/40/50/537854050.db2.gz IOIYIMSRVKJTSF-QMMMGPOBSA-N 0 0 208.261 2.167 10 0 BEAERN COC1(c2nc([C@H](C)O)cs2)CCC1 ZINC000158453085 344658141 /nfs/dbraw/zinc/65/81/41/344658141.db2.gz MXJSMLFEGNWURM-ZETCQYMHSA-N 0 0 213.302 2.222 10 0 BEAERN CNC(=S)N[C@H]1CCCCC[C@H]1C ZINC000127837965 344661756 /nfs/dbraw/zinc/66/17/56/344661756.db2.gz KRBPYBQASKCCCA-BDAKNGLRSA-N 0 0 200.351 2.049 10 0 BEAERN CSC[C@H](C)NC1=[NH+][C@H](C)CCS1 ZINC000127844825 344666212 /nfs/dbraw/zinc/66/62/12/344666212.db2.gz LVIGVVIUUHTQPU-SFYZADRCSA-N 0 0 218.391 2.209 10 0 BEAERN Clc1ccnc(C[C@@H]2CCCCO2)n1 ZINC000127862018 344668988 /nfs/dbraw/zinc/66/89/88/344668988.db2.gz BZANGDZJTRTALO-QMMMGPOBSA-N 0 0 212.680 2.242 10 0 BEAERN CO[C@H](C)Cc1nc(C)c(F)c(Cl)n1 ZINC000127869774 344670267 /nfs/dbraw/zinc/67/02/67/344670267.db2.gz MGTRQZYQVJZHNU-RXMQYKEDSA-N 0 0 218.659 2.155 10 0 BEAERN Cc1ccc(-c2nc(Br)no2)cn1 ZINC000158553319 344676074 /nfs/dbraw/zinc/67/60/74/344676074.db2.gz LUYWXGALORMHJC-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN Cc1cccnc1-c1nc(Br)no1 ZINC000158554518 344676442 /nfs/dbraw/zinc/67/64/42/344676442.db2.gz HXFCDMARMBOWMC-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CSC[C@H](C)Nc1nc(Cl)ncc1F ZINC000127904969 344676599 /nfs/dbraw/zinc/67/65/99/344676599.db2.gz JSTVJVRUJWMLRX-YFKPBYRVSA-N 0 0 235.715 2.433 10 0 BEAERN COC(=O)Cc1cc(C#N)cc(C)c1Cl ZINC000396145613 344619296 /nfs/dbraw/zinc/61/92/96/344619296.db2.gz UEFDIARRGPTJOS-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)Cc1cc(C#N)cc(Cl)c1C ZINC000396146341 344619553 /nfs/dbraw/zinc/61/95/53/344619553.db2.gz VYNMHFJRBRPROC-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCc1ccc(C#N)c(C)c1CC(=O)OC ZINC000396146520 344620001 /nfs/dbraw/zinc/62/00/01/344620001.db2.gz JSOOXZQCRSSWGR-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCc1cc(C#N)c(C)cc1CC(=O)OC ZINC000396146481 344620197 /nfs/dbraw/zinc/62/01/97/344620197.db2.gz JNWAZGDLPWHMDH-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN COC(=O)Cc1cc(C)cc(Cl)c1C#N ZINC000396146797 344620472 /nfs/dbraw/zinc/62/04/72/344620472.db2.gz XJFMHFGEDFAILI-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN COC(=O)c1cc(OC)cc(Cl)c1C#N ZINC000396147209 344620492 /nfs/dbraw/zinc/62/04/92/344620492.db2.gz XNIMCJULMZQYNH-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(C#N)c1Cl ZINC000396147064 344620515 /nfs/dbraw/zinc/62/05/15/344620515.db2.gz KTEDUVGZSZCQQG-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1c(C#N)cc(C)cc1OC ZINC000396148798 344622367 /nfs/dbraw/zinc/62/23/67/344622367.db2.gz HXARNSFFVIDDDR-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN COC(=O)c1c(F)c(C#N)ccc1C(F)F ZINC000396150776 344623688 /nfs/dbraw/zinc/62/36/88/344623688.db2.gz KIYGGNQXXUCHLO-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1cc(C#N)c(F)cc1CC ZINC000396152000 344624617 /nfs/dbraw/zinc/62/46/17/344624617.db2.gz COCUUTIGYVGOQF-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1c(Cl)cc(C=O)cc1C#N ZINC000396152189 344624698 /nfs/dbraw/zinc/62/46/98/344624698.db2.gz CZFTYOCNGYDTGS-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)Cc1ccc(C#N)c(F)c1Cl ZINC000396152268 344624706 /nfs/dbraw/zinc/62/47/06/344624706.db2.gz RMQSWOGSZJIQHY-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)Cc1c(C)c(C#N)ccc1F ZINC000396152745 344625255 /nfs/dbraw/zinc/62/52/55/344625255.db2.gz BYHNCOITHNNVFF-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)c1cnc(Cl)cc1OC(F)F ZINC000396154889 344626532 /nfs/dbraw/zinc/62/65/32/344626532.db2.gz CTTYVSXLUWFUNC-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCc1ccc(C(=O)OC)c(CC)c1C#N ZINC000396155844 344627370 /nfs/dbraw/zinc/62/73/70/344627370.db2.gz QWYHERUBOBMMAH-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN COC(=O)c1cc(F)cc(C#N)c1C(F)F ZINC000396156066 344627526 /nfs/dbraw/zinc/62/75/26/344627526.db2.gz IBHBXGHXQHUBSL-UHFFFAOYSA-N 0 0 229.157 2.422 10 0 BEAERN CCOC(=O)c1cc(F)c(C#N)cc1CC ZINC000396156033 344627574 /nfs/dbraw/zinc/62/75/74/344627574.db2.gz HVTKBAYGMRJCMH-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1cc(CC)cc(C#N)c1F ZINC000396157096 344628579 /nfs/dbraw/zinc/62/85/79/344628579.db2.gz JWKBDRZAHMAWPK-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCc1c(F)cc(C#N)cc1C(=O)OC ZINC000396157071 344628643 /nfs/dbraw/zinc/62/86/43/344628643.db2.gz JUJRAQGQGYJQRB-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN COC(=O)Cc1cc(C#N)cc(Cl)c1F ZINC000396157381 344629076 /nfs/dbraw/zinc/62/90/76/344629076.db2.gz YTRMTEQSHZVDPE-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1cc(F)cc(C#N)c1CC ZINC000396168714 344630397 /nfs/dbraw/zinc/63/03/97/344630397.db2.gz YBZIBPPIMYKGOA-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCc1cc(C#N)cc(C(=O)OC)c1F ZINC000396168676 344630598 /nfs/dbraw/zinc/63/05/98/344630598.db2.gz XTXGUBBIUSFGDS-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCc1c(F)ccc(C(=O)OC)c1C#N ZINC000396161453 344633748 /nfs/dbraw/zinc/63/37/48/344633748.db2.gz NYLHNUOOPSCDDW-UHFFFAOYSA-N 0 0 207.204 2.046 10 0 BEAERN CCOC(=O)Cc1c(C)cc(C#N)cc1F ZINC000396161537 344634372 /nfs/dbraw/zinc/63/43/72/344634372.db2.gz OSSHSDHNIGWFAO-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)Cc1ccc(C#N)c(F)c1C ZINC000396164588 344635432 /nfs/dbraw/zinc/63/54/32/344635432.db2.gz URGFRADCULVCEO-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)Cc1c(Cl)cc(F)c(F)c1F ZINC000396165047 344635857 /nfs/dbraw/zinc/63/58/57/344635857.db2.gz SBSQNQGIHWZZQV-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN CCc1cc(CC(=O)OC)c(C#N)cc1Cl ZINC000396166046 344635953 /nfs/dbraw/zinc/63/59/53/344635953.db2.gz TUSLTICTDYPHJP-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C=O)c(C#N)c1 ZINC000396166089 344635997 /nfs/dbraw/zinc/63/59/97/344635997.db2.gz UFPDMGRPXWDDJQ-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(C=O)c1C#N ZINC000396166109 344636447 /nfs/dbraw/zinc/63/64/47/344636447.db2.gz UMIJBPUKXHRDMN-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN COC(=O)Cc1c(C)ccc([N+](=O)[O-])c1Cl ZINC000396167775 344636875 /nfs/dbraw/zinc/63/68/75/344636875.db2.gz YJXJDKNAFHDLIV-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN CCc1ncc2c(n1)CC(C)(C)CC2=O ZINC000050093859 344638550 /nfs/dbraw/zinc/63/85/50/344638550.db2.gz CEJXBKFZNJGCNJ-UHFFFAOYSA-N 0 0 204.273 2.194 10 0 BEAERN COCc1c(C)nc2sc(C)c(C)n12 ZINC000127746649 344639564 /nfs/dbraw/zinc/63/95/64/344639564.db2.gz HZEHLOWWAFZCFK-UHFFFAOYSA-N 0 0 210.302 2.467 10 0 BEAERN CCc1ccsc1-c1nn(C)c(=S)[nH]1 ZINC000127754337 344643195 /nfs/dbraw/zinc/64/31/95/344643195.db2.gz BILBXQAWHDVMET-UHFFFAOYSA-N 0 0 225.342 2.395 10 0 BEAERN CN(Cc1ccsc1)[C@H]1CCCC1=O ZINC000050134095 344646805 /nfs/dbraw/zinc/64/68/05/344646805.db2.gz FWTPJIBMUKDGDS-JTQLQIEISA-N 0 0 209.314 2.302 10 0 BEAERN Nc1ncc(Cl)cc1[C@@H](O)C(F)(F)Cl ZINC000158703717 344727850 /nfs/dbraw/zinc/72/78/50/344727850.db2.gz JFLSCMMTJJFTDC-RXMQYKEDSA-N 0 0 243.040 2.182 10 0 BEAERN Cc1ccncc1[C@@H](O)C(F)(F)Cl ZINC000158715420 344730526 /nfs/dbraw/zinc/73/05/26/344730526.db2.gz XLIDTYRVIYZATH-SSDOTTSWSA-N 0 0 207.607 2.255 10 0 BEAERN COc1cccc([C@H](O)C(F)F)c1F ZINC000158727469 344733116 /nfs/dbraw/zinc/73/31/16/344733116.db2.gz NKMJDECAYGOPOL-QMMMGPOBSA-N 0 0 206.163 2.133 10 0 BEAERN CC1(C)C[C@H]1C(=O)N1CCSC(C)(C)C1 ZINC000119943492 344685850 /nfs/dbraw/zinc/68/58/50/344685850.db2.gz WIXYGSGEDPAULH-VIFPVBQESA-N 0 0 227.373 2.387 10 0 BEAERN Cc1ccc(N)c(NC(=O)[C@H]2CCCCO2)c1C ZINC000050958776 178704221 /nfs/dbraw/zinc/70/42/21/178704221.db2.gz MARKLCZBUQKHGU-GFCCVEGCSA-N 0 0 248.326 2.393 10 0 BEAERN O=Cc1cc(-c2ccc(F)c(F)c2)[nH]n1 ZINC000050478847 344696109 /nfs/dbraw/zinc/69/61/09/344696109.db2.gz OUXIMFRKIBMKQI-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN Cc1ccc(F)cc1O[C@H](C)C(N)=S ZINC000230450908 344700732 /nfs/dbraw/zinc/70/07/32/344700732.db2.gz QEHFARBJNWSAMB-SSDOTTSWSA-N 0 0 213.277 2.188 10 0 BEAERN OCc1nc(OC2CCC2)ccc1Cl ZINC000050520865 344705568 /nfs/dbraw/zinc/70/55/68/344705568.db2.gz NFBWNMBNTLYQBZ-UHFFFAOYSA-N 0 0 213.664 2.159 10 0 BEAERN O=C(Cc1ccncc1Cl)C(F)F ZINC000158641593 344706595 /nfs/dbraw/zinc/70/65/95/344706595.db2.gz GHUOUQLSBYTGBV-UHFFFAOYSA-N 0 0 205.591 2.112 10 0 BEAERN O=C(C(F)F)[C@@H]1CCOC2(CCC2)C1 ZINC000158643353 344706808 /nfs/dbraw/zinc/70/68/08/344706808.db2.gz JMCINWJPGVEMQT-SSDOTTSWSA-N 0 0 204.216 2.170 10 0 BEAERN Cc1nn(-c2ccnc(F)c2)cc1Cl ZINC000227646734 344712826 /nfs/dbraw/zinc/71/28/26/344712826.db2.gz AWABWRDCWMUDCL-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN Cn1ccnc1Sc1ccnc(F)c1 ZINC000227646875 344712873 /nfs/dbraw/zinc/71/28/73/344712873.db2.gz YLBGHDZHDFHHEL-UHFFFAOYSA-N 0 0 209.249 2.105 10 0 BEAERN Oc1cccc(C(O)c2cccc(O)c2)c1 ZINC000117914552 344762368 /nfs/dbraw/zinc/76/23/68/344762368.db2.gz JWFAQEOBUVFFBU-UHFFFAOYSA-N 0 0 216.236 2.180 10 0 BEAERN COCc1nc(C)cc(N[C@@H](C)C(C)C)n1 ZINC000075040885 344763020 /nfs/dbraw/zinc/76/30/20/344763020.db2.gz ZXCWBIKQYZBIDO-JTQLQIEISA-N 0 0 223.320 2.388 10 0 BEAERN Cc1ccc(NC(=O)CC(N)=S)cc1Cl ZINC000020433084 178722590 /nfs/dbraw/zinc/72/25/90/178722590.db2.gz NXQPWGOYNOPUNA-UHFFFAOYSA-N 0 0 242.731 2.263 10 0 BEAERN CS[C@@H]1CC[C@@H](N2CN=NC2=S)C1 ZINC000235120627 344804508 /nfs/dbraw/zinc/80/45/08/344804508.db2.gz MSRKCFGTFUWJDV-RNFRBKRXSA-N 0 0 215.347 2.023 10 0 BEAERN O=C(NCc1cscn1)c1ccc(F)cc1 ZINC000050408149 344818290 /nfs/dbraw/zinc/81/82/90/344818290.db2.gz UQCFMKVHDAHOAU-UHFFFAOYSA-N 0 0 236.271 2.212 10 0 BEAERN CC(C)Nc1ncc(CO)cc1Cl ZINC000166278978 344839944 /nfs/dbraw/zinc/83/99/44/344839944.db2.gz LMQOXBXNQIUXGK-UHFFFAOYSA-N 0 0 200.669 2.048 10 0 BEAERN CC[C@H]1COCCN1C(=O)N[C@H](C)C(C)(C)C ZINC000115827822 537863387 /nfs/dbraw/zinc/86/33/87/537863387.db2.gz YJFMSRDWFJXUDJ-MNOVXSKESA-N 0 0 242.363 2.241 10 0 BEAERN O=c1cc(Cl)ncn1C/C(Cl)=C\Cl ZINC000166252690 344832055 /nfs/dbraw/zinc/83/20/55/344832055.db2.gz BPNPMVMWONOLOD-GORDUTHDSA-N 0 0 239.489 2.216 10 0 BEAERN Cc1ccc(NCC(=O)NC(C)(C)C)cc1 ZINC000020055940 178757161 /nfs/dbraw/zinc/75/71/61/178757161.db2.gz YXCHZMFULNYVDJ-UHFFFAOYSA-N 0 0 220.316 2.322 10 0 BEAERN C=CC(=O)Nc1cc(F)cc(F)c1F ZINC000061117974 344854361 /nfs/dbraw/zinc/85/43/61/344854361.db2.gz CREKOWDULKJTMN-UHFFFAOYSA-N 0 0 201.147 2.228 10 0 BEAERN C[C@@H]1CC(C)(C)C[C@@]1(CC(=O)[O-])[NH+](C)C ZINC000235255652 344861073 /nfs/dbraw/zinc/86/10/73/344861073.db2.gz NHNCBGMPNNPCFS-BXKDBHETSA-N 0 0 213.321 2.218 10 0 BEAERN CC[C@@H](C)n1cc(Br)c(N)n1 ZINC000020313651 537868455 /nfs/dbraw/zinc/86/84/55/537868455.db2.gz HNFQAJPOGZLIQK-RXMQYKEDSA-N 0 0 218.098 2.199 10 0 BEAERN C[C@@H](O)C(=O)c1ccc(Cl)cc1F ZINC000235261163 344864709 /nfs/dbraw/zinc/86/47/09/344864709.db2.gz UNGOOFOZWRBJGH-RXMQYKEDSA-N 0 0 202.612 2.043 10 0 BEAERN CSc1ccc(N[C@H](CCO)C(C)C)nn1 ZINC000078447077 344869528 /nfs/dbraw/zinc/86/95/28/344869528.db2.gz LTTJTWQBDIXROT-SECBINFHSA-N 0 0 241.360 2.017 10 0 BEAERN C[C@@H]1C[C@@H]1c1nc2c(c(=S)[nH]1)CCC2 ZINC000235281800 344872816 /nfs/dbraw/zinc/87/28/16/344872816.db2.gz DHIRYKRDSGJIMJ-SVRRBLITSA-N 0 0 206.314 2.377 10 0 BEAERN Cc1ccc(NC[C@H](C)C(N)=O)c(Cl)c1 ZINC000037227428 178760606 /nfs/dbraw/zinc/76/06/06/178760606.db2.gz UMTCDMNIIMFOTK-QMMMGPOBSA-N 0 0 226.707 2.182 10 0 BEAERN CCc1ccc(-c2nn(C)cc2N)s1 ZINC000135733807 344874545 /nfs/dbraw/zinc/87/45/45/344874545.db2.gz QZLQKUAZSJKNGC-UHFFFAOYSA-N 0 0 207.302 2.293 10 0 BEAERN CC1(C)CC[C@H](Cc2cnc(N)s2)O1 ZINC000166368870 344876192 /nfs/dbraw/zinc/87/61/92/344876192.db2.gz VFPIQSWLTAUMSM-SSDOTTSWSA-N 0 0 212.318 2.225 10 0 BEAERN C[C@@H]1OCC[C@@H]1S[C@@H]1CCCC1=O ZINC000235328187 344885290 /nfs/dbraw/zinc/88/52/90/344885290.db2.gz RLFCRTNXRCYYCN-UJNFCWOMSA-N 0 0 200.303 2.019 10 0 BEAERN CC(C)[C@H](NN)c1ccc(F)c(F)c1 ZINC000166420851 344891331 /nfs/dbraw/zinc/89/13/31/344891331.db2.gz DDKAEDUGYJVJTD-JTQLQIEISA-N 0 0 200.232 2.125 10 0 BEAERN C[C@@H]1CC[C@H](O)[C@H](OCC(F)(F)F)C1 ZINC000044192385 344899000 /nfs/dbraw/zinc/89/90/00/344899000.db2.gz WEZFJKWJVOOSEZ-GJMOJQLCSA-N 0 0 212.211 2.115 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NCC2(C)CCCC2)O1 ZINC000153561980 344906445 /nfs/dbraw/zinc/90/64/45/344906445.db2.gz VSGBCUZMMWGVGB-GHMZBOCLSA-N 0 0 225.332 2.250 10 0 BEAERN Cc1ccc(N[C@@H]2CCCCNC2=O)cc1C ZINC000020050916 178771882 /nfs/dbraw/zinc/77/18/82/178771882.db2.gz VFDSJLOTPPGUBU-CYBMUJFWSA-N 0 0 232.327 2.384 10 0 BEAERN Nc1ccn(C[C@H]2CCCC(F)(F)C2)n1 ZINC000300968289 537873340 /nfs/dbraw/zinc/87/33/40/537873340.db2.gz QJHBBSCLXKOGOW-QMMMGPOBSA-N 0 0 215.247 2.291 10 0 BEAERN C[C@H](O)[C@@H](O)c1cccc(Br)c1F ZINC000235604146 344953167 /nfs/dbraw/zinc/95/31/67/344953167.db2.gz RDRYCQHDILJTET-SSDLBLMSSA-N 0 0 249.079 2.002 10 0 BEAERN CC(C)CN(C)c1nc(Cl)nc(Cl)n1 ZINC000061518229 344955554 /nfs/dbraw/zinc/95/55/54/344955554.db2.gz FAODKFXYLWOJQV-UHFFFAOYSA-N 0 0 235.118 2.271 10 0 BEAERN C[C@H]1C[C@@]1(O)C(C(F)(F)F)C(F)(F)F ZINC000235617416 344956128 /nfs/dbraw/zinc/95/61/28/344956128.db2.gz OQMDKOAJXMYKGR-UCORVYFPSA-N 0 0 222.128 2.498 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1c(Cl)ncnc1Cl ZINC000235631336 344960352 /nfs/dbraw/zinc/96/03/52/344960352.db2.gz FBNBTQXWJNQQPR-CRCLSJGQSA-N 0 0 246.097 2.378 10 0 BEAERN C[C@H](Nc1cnccc1Cl)C(C)(C)O ZINC000166696114 344963496 /nfs/dbraw/zinc/96/34/96/344963496.db2.gz KAHAXIVCRHXURT-ZETCQYMHSA-N 0 0 214.696 2.306 10 0 BEAERN O=C1CSC[C@@H]1Cc1c(F)cccc1F ZINC000166620736 344944268 /nfs/dbraw/zinc/94/42/68/344944268.db2.gz KAKGTBXVSIZPSM-ZETCQYMHSA-N 0 0 228.263 2.439 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C1=CC(=S)CS1 ZINC000235580257 344946277 /nfs/dbraw/zinc/94/62/77/344946277.db2.gz WEBYCLYPVQLXTO-CAHLUQPWSA-N 0 0 213.327 2.175 10 0 BEAERN C[C@H]1CCCCC[C@@H]1NC(=O)C(F)F ZINC000235579300 344947839 /nfs/dbraw/zinc/94/78/39/344947839.db2.gz JUDUMQNLMHNOHL-YUMQZZPRSA-N 0 0 205.248 2.337 10 0 BEAERN C[C@H](O)[C@H](C)S[C@@H]1CCCCC[C@@H]1O ZINC000235593871 344950775 /nfs/dbraw/zinc/95/07/75/344950775.db2.gz YJNWBDWLBYMPCY-XWLWVQCSSA-N 0 0 218.362 2.183 10 0 BEAERN C[C@H]1CCCCN1C1N=NC(=S)S1 ZINC000044241570 344992207 /nfs/dbraw/zinc/99/22/07/344992207.db2.gz OESFLRSXIIFLGM-LURJTMIESA-N 0 0 215.347 2.206 10 0 BEAERN CCOC(=O)c1cc(F)cc(F)c1C ZINC000238257566 345002148 /nfs/dbraw/zinc/00/21/48/345002148.db2.gz OGTOFAUTVCYFOZ-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN COc1cc(Br)c(Cl)nc1N ZINC000238449410 345050827 /nfs/dbraw/zinc/05/08/27/345050827.db2.gz YVXSUXAWLRSNGE-UHFFFAOYSA-N 0 0 237.484 2.088 10 0 BEAERN COc1cc(F)cnc1OC(F)(F)F ZINC000238359087 345027817 /nfs/dbraw/zinc/02/78/17/345027817.db2.gz ZNIFUBDYCAVNOZ-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN C[C@@H]1C(=O)N[C@@H]1c1cccc(Br)c1 ZINC000235678313 345029062 /nfs/dbraw/zinc/02/90/62/345029062.db2.gz ADOGPCQZFTXIBG-RCOVLWMOSA-N 0 0 240.100 2.256 10 0 BEAERN COc1cccc(O)c1OC(F)(F)F ZINC000238382046 345036935 /nfs/dbraw/zinc/03/69/35/345036935.db2.gz REAAQRDHYYVPKT-UHFFFAOYSA-N 0 0 208.135 2.299 10 0 BEAERN COc1nc(OC(F)(F)F)ccc1C ZINC000238396494 345039001 /nfs/dbraw/zinc/03/90/01/345039001.db2.gz VHOGYSHIHOKOOP-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN Cc1cc(C=O)cnc1OC(F)(F)F ZINC000238464533 345053348 /nfs/dbraw/zinc/05/33/48/345053348.db2.gz VCGPZZVDUIZPBB-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN FC(F)Oc1cncc(C(F)(F)F)n1 ZINC000238531995 345071180 /nfs/dbraw/zinc/07/11/80/345071180.db2.gz YJWDDNQVSDTWJJ-UHFFFAOYSA-N 0 0 214.093 2.097 10 0 BEAERN FC(F)Oc1nccnc1C(F)(F)F ZINC000238532866 345071193 /nfs/dbraw/zinc/07/11/93/345071193.db2.gz JUVLAPURTWQXGJ-UHFFFAOYSA-N 0 0 214.093 2.097 10 0 BEAERN O=Cc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238547700 345074835 /nfs/dbraw/zinc/07/48/35/345074835.db2.gz LMFJQVSTBWRDIZ-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1nc(OC(F)(F)F)ccc1C=O ZINC000238563323 345077009 /nfs/dbraw/zinc/07/70/09/345077009.db2.gz YQRQWWNVLUFAFR-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(N2CC[C@H](CO)C2)cc1C ZINC000011892792 345055667 /nfs/dbraw/zinc/05/56/67/345055667.db2.gz CFFSFKOJZIGZNB-LBPRGKRZSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1ccc([C@@H]2CNC(=O)C2)c(Cl)c1 ZINC000238521030 345067480 /nfs/dbraw/zinc/06/74/80/345067480.db2.gz JJEQRWYPGKNIMO-QMMMGPOBSA-N 0 0 209.676 2.252 10 0 BEAERN Cc1ccc(S(=O)(=O)N2C[C@@H]2C(C)C)cc1 ZINC000034511257 178824711 /nfs/dbraw/zinc/82/47/11/178824711.db2.gz KEQXAGSLQICYGJ-PZORYLMUSA-N 0 0 239.340 2.024 10 0 BEAERN CSCC[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000155589072 345089346 /nfs/dbraw/zinc/08/93/46/345089346.db2.gz MPHMKQQFHFIVIO-DCAQKATOSA-N 0 0 245.388 2.154 10 0 BEAERN Fc1ccc(Br)n2cncc12 ZINC000238620772 345093480 /nfs/dbraw/zinc/09/34/80/345093480.db2.gz QXMLPUZUNQKXJV-UHFFFAOYSA-N 0 0 215.025 2.236 10 0 BEAERN Fc1ccc(Br)c2ccnn21 ZINC000238617729 345094441 /nfs/dbraw/zinc/09/44/41/345094441.db2.gz DMRBKLXYOBWKCC-UHFFFAOYSA-N 0 0 215.025 2.236 10 0 BEAERN O=C(Nc1cccnc1Cl)c1ccc[nH]1 ZINC000073474532 345102921 /nfs/dbraw/zinc/10/29/21/345102921.db2.gz KMLKDDKVBDDMJA-UHFFFAOYSA-N 0 0 221.647 2.315 10 0 BEAERN Clc1cc(NCC[C@H]2CCCO2)ncn1 ZINC000044511413 345103344 /nfs/dbraw/zinc/10/33/44/345103344.db2.gz XXSIWCFQVPIBGW-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN Nc1ccnc(OC(F)(F)F)c1Cl ZINC000238659647 345103496 /nfs/dbraw/zinc/10/34/96/345103496.db2.gz GFQXQUWVQRZUTC-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Cc1ccc(SC[C@H]2CCOCO2)c(N)c1 ZINC000037192750 178828346 /nfs/dbraw/zinc/82/83/46/178828346.db2.gz YZBIRHYLLOZMSN-SNVBAGLBSA-N 0 0 239.340 2.432 10 0 BEAERN Nc1nc(OC(F)(F)F)ccc1Cl ZINC000238669766 345108112 /nfs/dbraw/zinc/10/81/12/345108112.db2.gz XBKAHHGVJDOGIM-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)C3(C)CC3)C2)c1 ZINC000155885842 345111021 /nfs/dbraw/zinc/11/10/21/345111021.db2.gz RYSCUVMIKLAANL-GFCCVEGCSA-N 0 0 247.342 2.155 10 0 BEAERN Nc1ncc(Cl)cc1OC(F)(F)F ZINC000238690671 345112917 /nfs/dbraw/zinc/11/29/17/345112917.db2.gz UETHXXDURDPJTN-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN C[C@H]1C[C@H](C)N(c2ncccc2C=O)C1 ZINC000235689838 345175716 /nfs/dbraw/zinc/17/57/16/345175716.db2.gz ZEZRWHZBSDBSAG-UWVGGRQHSA-N 0 0 204.273 2.129 10 0 BEAERN C[C@@H]1SCCS[C@H]1[C@@H](O)C1CCC1 ZINC000225530351 345159474 /nfs/dbraw/zinc/15/94/74/345159474.db2.gz GTKLCBWHLFNASW-UJNFCWOMSA-N 0 0 218.387 2.385 10 0 BEAERN CCc1nc(COc2cc(C)n(C)n2)cs1 ZINC000128366961 345232276 /nfs/dbraw/zinc/23/22/76/345232276.db2.gz MZOWLVANFRGIAN-UHFFFAOYSA-N 0 0 237.328 2.326 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(N)n2)o1 ZINC000051071611 178837248 /nfs/dbraw/zinc/83/72/48/178837248.db2.gz AOEJNLFHXMWDIQ-SECBINFHSA-N 0 0 245.282 2.056 10 0 BEAERN O=C(N[C@@H]1CCC[C@H](O)C1)C1CCC=CCC1 ZINC000635350026 345318445 /nfs/dbraw/zinc/31/84/45/345318445.db2.gz ONUZQZDRSKLDGS-OLZOCXBDSA-N 0 0 237.343 2.153 10 0 BEAERN CCCCO[C@H](C)C(=O)OCc1cncs1 ZINC000129779063 345262171 /nfs/dbraw/zinc/26/21/71/345262171.db2.gz XYUBSYZUCVGZLP-SECBINFHSA-N 0 0 243.328 2.392 10 0 BEAERN COC(=O)CCCCc1cnc(Cl)nc1 ZINC000218224440 345276831 /nfs/dbraw/zinc/27/68/31/345276831.db2.gz JWBVNZWNLUDOJH-UHFFFAOYSA-N 0 0 228.679 2.016 10 0 BEAERN O=C(Cc1ccoc1)c1ncccc1F ZINC000130693503 345282037 /nfs/dbraw/zinc/28/20/37/345282037.db2.gz SHQJYBJKDSGWOG-UHFFFAOYSA-N 0 0 205.188 2.239 10 0 BEAERN CC1(C)CC[C@H](O)[C@H](OCC(F)F)C1 ZINC000130769663 345282605 /nfs/dbraw/zinc/28/26/05/345282605.db2.gz CAVZYZZWDKBJLS-JGVFFNPUSA-N 0 0 208.248 2.208 10 0 BEAERN CCc1cnn2c1N[C@@H](C)C[C@@H]2C(F)F ZINC000720939430 537892682 /nfs/dbraw/zinc/89/26/82/537892682.db2.gz DNZYCONWIQRQCD-POYBYMJQSA-N 0 0 215.247 2.456 10 0 BEAERN CCOC(=O)c1ccc2cc[nH]c2c1F ZINC000260652507 345310569 /nfs/dbraw/zinc/31/05/69/345310569.db2.gz VAGHOIJLXUIMCL-UHFFFAOYSA-N 0 0 207.204 2.484 10 0 BEAERN CC1CN(c2cccc(Br)n2)C1 ZINC000133282300 345368004 /nfs/dbraw/zinc/36/80/04/345368004.db2.gz LYPBFPZSLKRVIO-UHFFFAOYSA-N 0 0 227.105 2.300 10 0 BEAERN CCOC(=O)Cc1cc(N)c(F)cc1Cl ZINC000168645092 345369332 /nfs/dbraw/zinc/36/93/32/345369332.db2.gz RHHPBWGHAVQJRS-UHFFFAOYSA-N 0 0 231.654 2.167 10 0 BEAERN CSCCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158755699 345374350 /nfs/dbraw/zinc/37/43/50/345374350.db2.gz PVQYUJCCLFSVIP-LBPRGKRZSA-N 0 0 241.356 2.324 10 0 BEAERN CCC1CN(c2cnc(Br)cn2)C1 ZINC000133446686 345375390 /nfs/dbraw/zinc/37/53/90/345375390.db2.gz ZWVVJDUMJWPQBL-UHFFFAOYSA-N 0 0 242.120 2.085 10 0 BEAERN Cc1ccc([C@@H](C)Nc2ccnc(C(N)=O)c2)o1 ZINC000038097835 178850712 /nfs/dbraw/zinc/85/07/12/178850712.db2.gz DEOULUUGYSMZFS-SECBINFHSA-N 0 0 245.282 2.255 10 0 BEAERN Cn1cc(N)c(-c2ccc(F)cc2Cl)n1 ZINC000135734370 345452294 /nfs/dbraw/zinc/45/22/94/345452294.db2.gz MDCMSTZPTUZFLE-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc(Cl)ncc1Cl ZINC000134582970 345415849 /nfs/dbraw/zinc/41/58/49/345415849.db2.gz NIGTVEZLCBPMLX-CAHLUQPWSA-N 0 0 248.113 2.373 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@@H]1CCO[C@@H]1C ZINC000134593862 345416480 /nfs/dbraw/zinc/41/64/80/345416480.db2.gz PRVIIUHHIKYRLU-HTQZYQBOSA-N 0 0 229.711 2.405 10 0 BEAERN C[C@H](NN(C)C)c1ccc(F)c(F)c1 ZINC000134143683 345400322 /nfs/dbraw/zinc/40/03/22/345400322.db2.gz PVYHYGXRTRNBLQ-ZETCQYMHSA-N 0 0 200.232 2.092 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCCC12CC2 ZINC000626120022 345504474 /nfs/dbraw/zinc/50/44/74/345504474.db2.gz QIGSLKILMZBUDT-WDEREUQCSA-N 0 0 239.359 2.090 10 0 BEAERN Br/C=C/CO[C@H]1CCCCO1 ZINC000135782435 345456283 /nfs/dbraw/zinc/45/62/83/345456283.db2.gz QWWGRNKINSJVIQ-WGAJWPLOSA-N 0 0 221.094 2.438 10 0 BEAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1ccccc1Cl ZINC000250615503 345479458 /nfs/dbraw/zinc/47/94/58/345479458.db2.gz NUOMWGOJVGKZPL-KWQFWETISA-N 0 0 239.702 2.417 10 0 BEAERN CCOC(=O)CC[C@@H](C)Nc1ccccn1 ZINC000089656773 345558370 /nfs/dbraw/zinc/55/83/70/345558370.db2.gz SGZVTFWVKJPUGK-SNVBAGLBSA-N 0 0 222.288 2.225 10 0 BEAERN CC(=O)N1C[C@H](c2cnoc2)Nc2ccccc21 ZINC000616692905 345559513 /nfs/dbraw/zinc/55/95/13/345559513.db2.gz WEZDRPRBVMTJQX-GFCCVEGCSA-N 0 0 243.266 2.194 10 0 BEAERN CO[C@@H]1[C@H](C)[C@H](NCC(C)(F)F)C1(C)C ZINC000378769941 345560703 /nfs/dbraw/zinc/56/07/03/345560703.db2.gz FIMDVCSJOKWBAY-HRDYMLBCSA-N 0 0 221.291 2.291 10 0 BEAERN Oc1ccc(O)c(-c2ccc(Cl)nn2)c1 ZINC000054930916 345563625 /nfs/dbraw/zinc/56/36/25/345563625.db2.gz SIQWTIATBJPNSL-UHFFFAOYSA-N 0 0 222.631 2.208 10 0 BEAERN O[C@@H](CNc1ncccc1F)C1CCCC1 ZINC000084487093 345515022 /nfs/dbraw/zinc/51/50/22/345515022.db2.gz CHFKSMRBZVBSPA-NSHDSACASA-N 0 0 224.279 2.184 10 0 BEAERN CSc1ccc(N[C@@H](C)[C@H]2CCCO2)nn1 ZINC000091427593 345592480 /nfs/dbraw/zinc/59/24/80/345592480.db2.gz UDHMFEGTCCHQCT-DTWKUNHWSA-N 0 0 239.344 2.178 10 0 BEAERN Nc1nc(Cl)nc(-c2ccc(Cl)s2)n1 ZINC000137372985 345616673 /nfs/dbraw/zinc/61/66/73/345616673.db2.gz HSQXIQFLJKHTKL-UHFFFAOYSA-N 0 0 247.110 2.489 10 0 BEAERN COc1cc(OC)cc([C@@H](O)C(C)C)c1 ZINC000082676980 345689197 /nfs/dbraw/zinc/68/91/97/345689197.db2.gz WKKWQAYUGTUXPV-LBPRGKRZSA-N 0 0 210.273 2.393 10 0 BEAERN C[C@@H](c1nccs1)N1CCCC[C@H]1CO ZINC000253605015 345692288 /nfs/dbraw/zinc/69/22/88/345692288.db2.gz CYTHAZKYJTZLCF-UWVGGRQHSA-N 0 0 226.345 2.051 10 0 BEAERN C[C@H](c1nccs1)N1CCCC[C@H]1CO ZINC000253605016 345692336 /nfs/dbraw/zinc/69/23/36/345692336.db2.gz CYTHAZKYJTZLCF-ZJUUUORDSA-N 0 0 226.345 2.051 10 0 BEAERN COC(=O)C(C)(C)CC(=O)c1ccccc1 ZINC000113699520 345754130 /nfs/dbraw/zinc/75/41/30/345754130.db2.gz URQVZWRPBWMSEG-UHFFFAOYSA-N 0 0 220.268 2.459 10 0 BEAERN COC(=O)[C@H](C)N(C)[C@H](C)c1ccc(C#N)cc1 ZINC000113562998 345754337 /nfs/dbraw/zinc/75/43/37/345754337.db2.gz VSJNWVCUBPAENV-MNOVXSKESA-N 0 0 246.310 2.113 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)C(C)(C)Br)C1 ZINC000128624418 349937509 /nfs/dbraw/zinc/93/75/09/349937509.db2.gz DLZDCXSPFKZECF-SFYZADRCSA-N 0 0 248.164 2.465 10 0 BEAERN COC(=O)c1c(C)c(Cl)ccc1OC ZINC000032222280 345757201 /nfs/dbraw/zinc/75/72/01/345757201.db2.gz AFBITCHHQZAABC-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CCN1CCn2c(cc3ccccc32)C1 ZINC000206250998 345758073 /nfs/dbraw/zinc/75/80/73/345758073.db2.gz XLKHDCMGBVHWEF-UHFFFAOYSA-N 0 0 200.285 2.477 10 0 BEAERN CC[C@H]1NC(=O)N(c2c(C)cccc2C)C1=O ZINC000205602841 345733747 /nfs/dbraw/zinc/73/37/47/345733747.db2.gz QEQHJUOMAAQSMI-SNVBAGLBSA-N 0 0 232.283 2.138 10 0 BEAERN COC1(CCn2cc(Cl)c(N)n2)CCC1 ZINC000310343361 537909698 /nfs/dbraw/zinc/90/96/98/537909698.db2.gz OPNKNFRFEPJQKN-UHFFFAOYSA-N 0 0 229.711 2.078 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(COC)ncn1 ZINC000381410815 345812589 /nfs/dbraw/zinc/81/25/89/345812589.db2.gz ULWFFEWQADPQLF-KOLCDFICSA-N 0 0 221.304 2.224 10 0 BEAERN COc1ccc(CCCCc2c[nH]nn2)cc1 ZINC000034050191 345815467 /nfs/dbraw/zinc/81/54/67/345815467.db2.gz UCGDSTTUNTVBMD-UHFFFAOYSA-N 0 0 231.299 2.379 10 0 BEAERN C#CCC[C@@H](C(=O)OCC)c1cccnc1 ZINC000034077047 345816390 /nfs/dbraw/zinc/81/63/90/345816390.db2.gz ZFHNBMVSAMARHS-GFCCVEGCSA-N 0 0 217.268 2.142 10 0 BEAERN CCOC(=O)C[C@@H]1CCC[C@H](CCC#N)C1=O ZINC000034182303 345818870 /nfs/dbraw/zinc/81/88/70/345818870.db2.gz NTBNGFKXIYKZGR-MNOVXSKESA-N 0 0 237.299 2.229 10 0 BEAERN COC(=O)c1c(C)cnc2ccccc21 ZINC000034364040 345823846 /nfs/dbraw/zinc/82/38/46/345823846.db2.gz LZKMOAVIKOHJKJ-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN COC(=O)CC(=O)CCC=Cc1cccnc1 ZINC000034218036 345819621 /nfs/dbraw/zinc/81/96/21/345819621.db2.gz UYZCJKXNPXYYHY-GORDUTHDSA-N 0 0 233.267 2.007 10 0 BEAERN O[C@H](COCc1ccccc1)c1ccccn1 ZINC000034246842 345820342 /nfs/dbraw/zinc/82/03/42/345820342.db2.gz CXYVFLHJBYRDCD-CQSZACIVSA-N 0 0 229.279 2.332 10 0 BEAERN CCOC(=O)[C@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000050975463 345768002 /nfs/dbraw/zinc/76/80/02/345768002.db2.gz FTTQZBUVCLSIRI-CABZTGNLSA-N 0 0 214.305 2.127 10 0 BEAERN c1nc(C[C@H]2CCc3ncccc3C2)c[nH]1 ZINC000034278984 345820767 /nfs/dbraw/zinc/82/07/67/345820767.db2.gz ISYIUYRWUINXCB-JTQLQIEISA-N 0 0 213.284 2.152 10 0 BEAERN COC(=O)C[C@@H]1c2cc(OC)ccc2N[C@@H]1C ZINC000163519893 345772058 /nfs/dbraw/zinc/77/20/58/345772058.db2.gz ALAVRIFVODNBPL-SCZZXKLOSA-N 0 0 235.283 2.156 10 0 BEAERN OC[C@@H](F)Cc1ccccc1Br ZINC000257923172 345778363 /nfs/dbraw/zinc/77/83/63/345778363.db2.gz DLDVCYNMNRJUTC-QMMMGPOBSA-N 0 0 233.080 2.322 10 0 BEAERN COC(=O)c1ccc2c(c1C(=O)OC)CCCC2 ZINC000034329618 345821539 /nfs/dbraw/zinc/82/15/39/345821539.db2.gz JRCHRQNLEBCDGP-UHFFFAOYSA-N 0 0 248.278 2.139 10 0 BEAERN O[C@H]1CCCn2cc(-c3cccs3)nc21 ZINC000258745172 345782633 /nfs/dbraw/zinc/78/26/33/345782633.db2.gz ZLKUZWZUPAHPPR-VIFPVBQESA-N 0 0 220.297 2.439 10 0 BEAERN Cc1ncc2c(n1)-c1ccccc1NCC2 ZINC000167786891 345801156 /nfs/dbraw/zinc/80/11/56/345801156.db2.gz AQRZMSGMLSKHFG-UHFFFAOYSA-N 0 0 211.268 2.420 10 0 BEAERN c1onc2c1CN(Cc1ccccc1)CC2 ZINC000307502183 345804067 /nfs/dbraw/zinc/80/40/67/345804067.db2.gz IYBUKCFBEJKFIG-UHFFFAOYSA-N 0 0 214.268 2.233 10 0 BEAERN Cc1cc(F)c(C#N)cc1NCC(=O)C1CC1 ZINC000215674238 345849755 /nfs/dbraw/zinc/84/97/55/345849755.db2.gz KWHGHFBULZPCCX-UHFFFAOYSA-N 0 0 232.258 2.397 10 0 BEAERN O=C1c2cnccc2-c2c1c(=O)[nH]c1ccccc21 ZINC000140610785 345855699 /nfs/dbraw/zinc/85/56/99/345855699.db2.gz ORJVKEURVPFOFW-UHFFFAOYSA-N 0 0 248.241 2.135 10 0 BEAERN CCCCN1CCOc2c(Cl)nncc21 ZINC000220560424 345858365 /nfs/dbraw/zinc/85/83/65/345858365.db2.gz XIMTZACPFDBTOI-UHFFFAOYSA-N 0 0 227.695 2.129 10 0 BEAERN CCC1SC(c2cc(C)on2)=NC1=O ZINC000219698119 345859474 /nfs/dbraw/zinc/85/94/74/345859474.db2.gz MYPNERBFZFIMKN-UHFFFAOYSA-N 0 0 210.258 2.375 10 0 BEAERN OC[C@H](OCC(F)(F)F)c1ccccc1 ZINC000220020216 345860732 /nfs/dbraw/zinc/86/07/32/345860732.db2.gz MVEWLYDPMZMSPY-VIFPVBQESA-N 0 0 220.190 2.299 10 0 BEAERN N#CN1CCc2cccc3c2[C@@H](CCC3)C1 ZINC000034373829 345824580 /nfs/dbraw/zinc/82/45/80/345824580.db2.gz UDLZEDXPTPSTRO-ZDUSSCGKSA-N 0 0 212.296 2.446 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)c(O)c1 ZINC000166804338 345825373 /nfs/dbraw/zinc/82/53/73/345825373.db2.gz ZIGGLEGUWUFHQK-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN C=CCN(C(C)=O)c1cccc(Cl)n1 ZINC000142417671 345863070 /nfs/dbraw/zinc/86/30/70/345863070.db2.gz UTHBTVKJZBJSCV-UHFFFAOYSA-N 0 0 210.664 2.274 10 0 BEAERN Cc1cc(O[C@H]2CCCCO2)cc(O)c1C=O ZINC000034506757 345829905 /nfs/dbraw/zinc/82/99/05/345829905.db2.gz QMVFMMLKLLRERJ-ZDUSSCGKSA-N 0 0 236.267 2.419 10 0 BEAERN COc1ccc2c(Cl)nc(OC)nc2c1 ZINC000142366799 345863201 /nfs/dbraw/zinc/86/32/01/345863201.db2.gz PXXPQJGPCQCTDR-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN CCOP(=O)(OCC)[C@@H](C)C(C)=O ZINC000034456066 345834070 /nfs/dbraw/zinc/83/40/70/345834070.db2.gz KMJCWEYBVMRBAX-QMMMGPOBSA-N 0 0 208.194 2.230 10 0 BEAERN CC[C@@H](O)c1cccc([C@H](C)C(=O)OC)c1 ZINC000034583809 345834149 /nfs/dbraw/zinc/83/41/49/345834149.db2.gz CJIRFIYALFHUJR-JOYOIKCWSA-N 0 0 222.284 2.407 10 0 BEAERN COP(=O)(OC)C(=O)c1ccccc1F ZINC000034483082 345835221 /nfs/dbraw/zinc/83/52/21/345835221.db2.gz GHRJDUBJPUNCBU-UHFFFAOYSA-N 0 0 232.147 2.452 10 0 BEAERN CCCCC(=O)C(=O)OCc1ccccc1 ZINC000034492921 345835514 /nfs/dbraw/zinc/83/55/14/345835514.db2.gz SRBRNFQJNBXSJW-UHFFFAOYSA-N 0 0 220.268 2.489 10 0 BEAERN CN1c2ccccc2[C@@H]2N=NC(=S)N=C21 ZINC000221112930 345863374 /nfs/dbraw/zinc/86/33/74/345863374.db2.gz LNBWEHMRUVSLDR-QMMMGPOBSA-N 0 0 216.269 2.327 10 0 BEAERN Cc1nn(-c2cccnc2)cc1NC(C)C ZINC000169227189 345840101 /nfs/dbraw/zinc/84/01/01/345840101.db2.gz QGRIDXWNGZLSOP-UHFFFAOYSA-N 0 0 216.288 2.396 10 0 BEAERN Cc1ccc([S@@](=O)c2ccc[nH]2)cc1 ZINC000039263625 178934449 /nfs/dbraw/zinc/93/44/49/178934449.db2.gz LBFQXQIZROJDLI-AWEZNQCLSA-N 0 0 205.282 2.490 10 0 BEAERN CCCC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000123853786 168537800 /nfs/dbraw/zinc/53/78/00/168537800.db2.gz BVKNMGHFUIAJGU-UHFFFAOYSA-N 0 0 249.358 2.409 10 0 BEAERN CC(C)(C)Oc1ccc(OCCO)cc1 ZINC000142620069 345872854 /nfs/dbraw/zinc/87/28/54/345872854.db2.gz JEJMPDXDEHXIFX-UHFFFAOYSA-N 0 0 210.273 2.235 10 0 BEAERN CC(C)Cn1cc(C(=O)C(F)(F)F)cn1 ZINC000082589432 345909916 /nfs/dbraw/zinc/90/99/16/345909916.db2.gz OUPUWBKBRTXEIM-UHFFFAOYSA-N 0 0 220.194 2.284 10 0 BEAERN CC1(C)COC(=O)c2ccccc2C(=O)OC1 ZINC000143842626 345912700 /nfs/dbraw/zinc/91/27/00/345912700.db2.gz ICUVLDRIHMJXMQ-UHFFFAOYSA-N 0 0 234.251 2.040 10 0 BEAERN CC(C)(C)Oc1ncc(Cl)cc1N ZINC000148319603 345916372 /nfs/dbraw/zinc/91/63/72/345916372.db2.gz FFSFFNRHLCYPQD-UHFFFAOYSA-N 0 0 200.669 2.495 10 0 BEAERN COC(=O)[C@@H]1C[C@H](CCCCCF)CCN1 ZINC000144188904 345918513 /nfs/dbraw/zinc/91/85/13/345918513.db2.gz YPRARCYNHCUPET-MNOVXSKESA-N 0 0 231.311 2.058 10 0 BEAERN CC(C)(O)CCNC(=O)OCc1ccccc1 ZINC000144719609 345924162 /nfs/dbraw/zinc/92/41/62/345924162.db2.gz RJMZJMYRJXFMGF-UHFFFAOYSA-N 0 0 237.299 2.074 10 0 BEAERN C[C@H]1CC[C@@](C)(C(=O)N2CC=CCN2)C1(C)C ZINC000628220027 345955035 /nfs/dbraw/zinc/95/50/35/345955035.db2.gz HJKDUKVRWUBRAQ-FZMZJTMJSA-N 0 0 236.359 2.352 10 0 BEAERN Cc1ccc(-c2ncc[nH]c2=S)cn1 ZINC000235916334 345965439 /nfs/dbraw/zinc/96/54/39/345965439.db2.gz QSHFFOSCEKSHLV-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN Nc1cc(CCCc2ccccc2)no1 ZINC000033961740 345957004 /nfs/dbraw/zinc/95/70/04/345957004.db2.gz RENBDRDSZNKVPG-UHFFFAOYSA-N 0 0 202.257 2.432 10 0 BEAERN Cc1cc(C(=O)N2CC=CCN2)ccc1Cl ZINC000628222741 345962060 /nfs/dbraw/zinc/96/20/60/345962060.db2.gz CTMYQJBJXZLTJY-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN Cc1cc(-c2nnc(Br)o2)ccn1 ZINC000235878940 345951164 /nfs/dbraw/zinc/95/11/64/345951164.db2.gz JMLXXOYPIBKGTQ-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1CCC=CCC1 ZINC000635688919 345974086 /nfs/dbraw/zinc/97/40/86/345974086.db2.gz BXALQPRLDNTYMO-LBPRGKRZSA-N 0 0 239.359 2.256 10 0 BEAERN CC(C)(C)n1nccc1Br ZINC000075842675 537931621 /nfs/dbraw/zinc/93/16/21/537931621.db2.gz SJJRDZXBZLUAKT-UHFFFAOYSA-N 0 0 203.083 2.401 10 0 BEAERN CCc1csc(I)n1 ZINC000148987169 346074513 /nfs/dbraw/zinc/07/45/13/346074513.db2.gz BJJZBMGPLJRBIE-UHFFFAOYSA-N 0 0 239.081 2.310 10 0 BEAERN CCC[N@@H+]1CCc2c(C(=O)[O-])csc2C1 ZINC000149113636 346084720 /nfs/dbraw/zinc/08/47/20/346084720.db2.gz PKUNBCOKOSVZNQ-UHFFFAOYSA-N 0 0 225.313 2.214 10 0 BEAERN OC[C@@](O)(C1=CCC(F)(F)CC1)C(F)(F)F ZINC000675054599 537947242 /nfs/dbraw/zinc/94/72/42/537947242.db2.gz WEDRIHPPQBPREA-MRVPVSSYSA-N 0 0 246.175 2.018 10 0 BEAERN OC[C@](O)(C1=CCC(F)(F)CC1)C(F)(F)F ZINC000675054606 537947559 /nfs/dbraw/zinc/94/75/59/537947559.db2.gz WEDRIHPPQBPREA-QMMMGPOBSA-N 0 0 246.175 2.018 10 0 BEAERN COC(=O)Cc1oc(Br)cc1C ZINC000669371916 537948580 /nfs/dbraw/zinc/94/85/80/537948580.db2.gz FHGNZYIZOOFIEA-UHFFFAOYSA-N 0 0 233.061 2.066 10 0 BEAERN COC(=O)[C@]1(C[C@@H]2CO2)C[C@@H](C)CC[C@H]1C ZINC000669371849 537948586 /nfs/dbraw/zinc/94/85/86/537948586.db2.gz BSMCAZTXNOAYCM-WGBDABJCSA-N 0 0 226.316 2.391 10 0 BEAERN Cc1ccc2nc([S@](C)=O)sc2c1 ZINC000045238154 178981185 /nfs/dbraw/zinc/98/11/85/178981185.db2.gz RNIMZHKFVGJLQH-CYBMUJFWSA-N 0 0 211.311 2.342 10 0 BEAERN Fc1cc(Nc2ccccc2F)ncn1 ZINC000149940607 346164836 /nfs/dbraw/zinc/16/48/36/346164836.db2.gz VFKFTHGUDHWYHU-UHFFFAOYSA-N 0 0 207.183 2.498 10 0 BEAERN CCOC(=O)c1ccnc(OC(F)(F)F)c1 ZINC000390626898 346165605 /nfs/dbraw/zinc/16/56/05/346165605.db2.gz HLVZHKFXSZUROL-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN CC[C@@H](c1ccc(Cl)cc1)S(=O)(=O)NC ZINC000669375435 537954173 /nfs/dbraw/zinc/95/41/73/537954173.db2.gz KIVFGFSXUZDUFB-JTQLQIEISA-N 0 0 247.747 2.340 10 0 BEAERN CNS(=O)(=O)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000669375593 537954483 /nfs/dbraw/zinc/95/44/83/537954483.db2.gz NZAUQHDKILRODM-JTQLQIEISA-N 0 0 241.356 2.420 10 0 BEAERN Cc1cnc(CNc2ncc(N)s2)s1 ZINC000235936873 346171849 /nfs/dbraw/zinc/17/18/49/346171849.db2.gz UCOCBRBLAKBSGO-UHFFFAOYSA-N 0 0 226.330 2.102 10 0 BEAERN CO[C@@H](C)CNc1cc(F)ccc1F ZINC000166980474 346174668 /nfs/dbraw/zinc/17/46/68/346174668.db2.gz DRUZKHWCAGMQET-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN Cc1nc(C)c(-c2nc(Cl)no2)s1 ZINC000235952721 346174937 /nfs/dbraw/zinc/17/49/37/346174937.db2.gz GNTPABGNKPCJDY-UHFFFAOYSA-N 0 0 215.665 2.463 10 0 BEAERN Cc1ncc([C@@H](NN)C2CCCC2)s1 ZINC000235950943 346175179 /nfs/dbraw/zinc/17/51/79/346175179.db2.gz BFZGVPXBWJGSJB-JTQLQIEISA-N 0 0 211.334 2.146 10 0 BEAERN Cc1cnc(Cn2cccc2C=O)s1 ZINC000235959988 346175612 /nfs/dbraw/zinc/17/56/12/346175612.db2.gz QTWQRMIFMCFPCU-UHFFFAOYSA-N 0 0 206.270 2.114 10 0 BEAERN COC(=O)[C@]1(C[C@H]2CO2)CC(C)(C)C[C@@H]1C ZINC000669372695 537950423 /nfs/dbraw/zinc/95/04/23/537950423.db2.gz WMFYDFKEVGWFAK-OUJBWJOFSA-N 0 0 226.316 2.391 10 0 BEAERN CCCc1ccc([C@@H](C)S(=O)(=O)NC)cc1 ZINC000669375154 537952867 /nfs/dbraw/zinc/95/28/67/537952867.db2.gz FTQRZEOEVYKCPN-SNVBAGLBSA-N 0 0 241.356 2.249 10 0 BEAERN Cc1cc(Cl)c(C(N)=O)c(Cl)c1 ZINC000034113575 346200794 /nfs/dbraw/zinc/20/07/94/346200794.db2.gz IIFXNCJBRYDCLN-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN Cc1c(C=O)ncn1Cc1ccccc1 ZINC000034159932 346213059 /nfs/dbraw/zinc/21/30/59/346213059.db2.gz ROVRXKXRIMQJCM-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Clc1nsnc1N[C@@H]1CCO[C@@H]1C1CC1 ZINC000236034893 346185331 /nfs/dbraw/zinc/18/53/31/346185331.db2.gz OVJYVVJMKGUAOC-RNFRBKRXSA-N 0 0 245.735 2.171 10 0 BEAERN Cn1ccnc1CC(=O)c1ccc(Cl)o1 ZINC000236069620 346187949 /nfs/dbraw/zinc/18/79/49/346187949.db2.gz OAGHXZUNCCVCSI-UHFFFAOYSA-N 0 0 224.647 2.092 10 0 BEAERN Cn1ncc(Cl)c1C(=O)[C@@H]1CC1(C)C ZINC000236076919 346189120 /nfs/dbraw/zinc/18/91/20/346189120.db2.gz KBBLSDRQUKPDKV-LURJTMIESA-N 0 0 212.680 2.302 10 0 BEAERN Cn1nc(-c2ccoc2Cl)[nH]c1=S ZINC000236095419 346191600 /nfs/dbraw/zinc/19/16/00/346191600.db2.gz GGRTYKZWTPIGJC-UHFFFAOYSA-N 0 0 215.665 2.017 10 0 BEAERN CCNC(=S)N1CC[C@@H]2CCCC[C@H]21 ZINC000136341149 346194458 /nfs/dbraw/zinc/19/44/58/346194458.db2.gz JYJCCDXYMOUHSR-VHSXEESVSA-N 0 0 212.362 2.145 10 0 BEAERN O=Cc1cnc(OC(F)F)c(Cl)c1 ZINC000167130160 346197697 /nfs/dbraw/zinc/19/76/97/346197697.db2.gz HQORVZNYERDBKQ-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN Nc1cc(-c2ccoc2Br)no1 ZINC000236358242 346229671 /nfs/dbraw/zinc/22/96/71/346229671.db2.gz NMPNMPAMAMQHEH-UHFFFAOYSA-N 0 0 229.033 2.279 10 0 BEAERN Nc1ccc(NCc2ccccc2)cc1N ZINC000236380378 346231785 /nfs/dbraw/zinc/23/17/85/346231785.db2.gz PYHAJHVEXVFZRL-UHFFFAOYSA-N 0 0 213.284 2.463 10 0 BEAERN Nc1ccc(-c2csc(Cl)c2)nn1 ZINC000236376706 346231861 /nfs/dbraw/zinc/23/18/61/346231861.db2.gz TYKZWTGCTRUUAQ-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Nc1nnc(-c2ccoc2Br)s1 ZINC000236383529 346233073 /nfs/dbraw/zinc/23/30/73/346233073.db2.gz DNLUJKNLGIZXTA-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Nc1ncnc(-c2cccs2)c1Cl ZINC000236368289 346233191 /nfs/dbraw/zinc/23/31/91/346233191.db2.gz OHQVQTPXIFFPAH-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN FC(F)C(F)(F)c1nnc(Cl)o1 ZINC000236262098 346218109 /nfs/dbraw/zinc/21/81/09/346218109.db2.gz MIPBCZILDOYKKX-UHFFFAOYSA-N 0 0 204.510 2.080 10 0 BEAERN COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000034197604 346222572 /nfs/dbraw/zinc/22/25/72/346222572.db2.gz FQPUKDJQCHGSAO-GORDUTHDSA-N 0 0 241.630 2.434 10 0 BEAERN CCc1ccc(C(=O)[C@H]2CCCOC2)o1 ZINC000062229846 346222644 /nfs/dbraw/zinc/22/26/44/346222644.db2.gz JDPIOGFHMPTMGI-VIFPVBQESA-N 0 0 208.257 2.451 10 0 BEAERN CO[C@@H](C)C[C@@H]1Cc2ccccc2C1=O ZINC000167253173 346223607 /nfs/dbraw/zinc/22/36/07/346223607.db2.gz HZWLBQKUKVATID-GXSJLCMTSA-N 0 0 204.269 2.467 10 0 BEAERN CCC(CC)CS(=O)(=O)N[C@@H](C)C(C)C ZINC000113273035 535031704 /nfs/dbraw/zinc/03/17/04/535031704.db2.gz VINCAAUFMXQHEH-JTQLQIEISA-N 0 0 235.393 2.387 10 0 BEAERN N[C@@H](c1occc1Br)C(F)F ZINC000236310681 346224923 /nfs/dbraw/zinc/22/49/23/346224923.db2.gz RWLPESQHYGKGLV-BYPYZUCNSA-N 0 0 226.020 2.307 10 0 BEAERN CC1CC(C(=O)N[C@@](C)(CO)c2ccccc2)C1 ZINC000616807688 346240062 /nfs/dbraw/zinc/24/00/62/346240062.db2.gz YOKIJYZCAUMQOV-QOZQQMKHSA-N 0 0 247.338 2.056 10 0 BEAERN CCn1c2cc(F)ccc2nc1C(C)=O ZINC000062365682 346243562 /nfs/dbraw/zinc/24/35/62/346243562.db2.gz SFAIWXFNCDOVMR-UHFFFAOYSA-N 0 0 206.220 2.398 10 0 BEAERN CC[C@H](c1cccc(Cl)c1)S(=O)(=O)NC ZINC000669375676 537959250 /nfs/dbraw/zinc/95/92/50/537959250.db2.gz QHZHFXDGILJHMQ-SNVBAGLBSA-N 0 0 247.747 2.340 10 0 BEAERN S=C1N=NC(c2ccoc2Cl)N1 ZINC000236617039 346261131 /nfs/dbraw/zinc/26/11/31/346261131.db2.gz VNXUZGUFXCIFBW-UHFFFAOYSA-N 0 0 201.638 2.007 10 0 BEAERN S=C1N=NC(c2ccc(Cl)o2)N1 ZINC000236610668 346260397 /nfs/dbraw/zinc/26/03/97/346260397.db2.gz FNEUYEWPJXWLBH-UHFFFAOYSA-N 0 0 201.638 2.007 10 0 BEAERN CN(C)c1cccc(I)c1 ZINC000034347986 346250200 /nfs/dbraw/zinc/25/02/00/346250200.db2.gz TVFNKBQQVHGWAF-UHFFFAOYSA-N 0 0 247.079 2.357 10 0 BEAERN Cc1ccc(C)c(CC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076210070 537960229 /nfs/dbraw/zinc/96/02/29/537960229.db2.gz CIJDFWVGKIEGFU-WCQYABFASA-N 0 0 217.312 2.371 10 0 BEAERN Cc1cccc(C(=O)NC(C2CC2)C2CC2)c1N ZINC000049234275 179014648 /nfs/dbraw/zinc/01/46/48/179014648.db2.gz CKAPWIFNDSHJEX-UHFFFAOYSA-N 0 0 244.338 2.496 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)c1cccc(C)c1N ZINC000036733432 179025263 /nfs/dbraw/zinc/02/52/63/179025263.db2.gz PXHAJAQHWOULGK-UHFFFAOYSA-N 0 0 244.298 2.169 10 0 BEAERN FC(F)(F)CNc1nc(Cl)nc(Cl)n1 ZINC000034410476 346266725 /nfs/dbraw/zinc/26/67/25/346266725.db2.gz GUHJUSRSNANUQP-UHFFFAOYSA-N 0 0 247.007 2.153 10 0 BEAERN CCOC(=O)[C@@H](O)C1(F)CCCCCCC1 ZINC000675052559 537963959 /nfs/dbraw/zinc/96/39/59/537963959.db2.gz GJKHXFALXTYWIY-SNVBAGLBSA-N 0 0 232.295 2.363 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000068150098 179022073 /nfs/dbraw/zinc/02/20/73/179022073.db2.gz UJEVYIOPSTXTNB-JOYOIKCWSA-N 0 0 203.285 2.442 10 0 BEAERN C[C@H]1CC(=O)c2cc(Cl)ccc2[S@]1=O ZINC000034432162 346282660 /nfs/dbraw/zinc/28/26/60/346282660.db2.gz GFTINLQPJYHDSC-DXRPGJJCSA-N 0 0 228.700 2.423 10 0 BEAERN Cc1cccc(C)c1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000137567021 179031878 /nfs/dbraw/zinc/03/18/78/179031878.db2.gz IUUUSVWNWGRRLR-STQMWFEESA-N 0 0 247.338 2.194 10 0 BEAERN CC(=O)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000215937089 349949391 /nfs/dbraw/zinc/94/93/91/349949391.db2.gz IUHPFXYWTFPTBL-SNVBAGLBSA-N 0 0 216.639 2.492 10 0 BEAERN Cc1cccc(C)c1-n1c2ncccc2[nH]c1=O ZINC000169316505 179029186 /nfs/dbraw/zinc/02/91/86/179029186.db2.gz QRKQMWZGCSCOGV-UHFFFAOYSA-N 0 0 239.278 2.331 10 0 BEAERN C[C@@H](CNc1ncns1)c1nccs1 ZINC000230609384 346332894 /nfs/dbraw/zinc/33/28/94/346332894.db2.gz RKSZQRFANOHZJS-LURJTMIESA-N 0 0 226.330 2.210 10 0 BEAERN Cc1cccc(C)c1NCC(=O)N[C@@H]1C[C@@H]1C ZINC000173478213 179043500 /nfs/dbraw/zinc/04/35/00/179043500.db2.gz UUTHKOQAWRQRKU-NWDGAFQWSA-N 0 0 232.327 2.240 10 0 BEAERN Cc1cccc(C)c1NCC(=O)N[C@H]1C[C@@H]1C ZINC000173478227 179043785 /nfs/dbraw/zinc/04/37/85/179043785.db2.gz UUTHKOQAWRQRKU-RYUDHWBXSA-N 0 0 232.327 2.240 10 0 BEAERN Cc1cccc(C)c1NCCC(=O)NC1CC1 ZINC000054049861 179044205 /nfs/dbraw/zinc/04/42/05/179044205.db2.gz ATPZIERHMNHZFK-UHFFFAOYSA-N 0 0 232.327 2.384 10 0 BEAERN Cc1cccc(C)c1NCCC(=O)N(C)C ZINC000051753978 179044297 /nfs/dbraw/zinc/04/42/97/179044297.db2.gz XVUHVAJAQLBNFR-UHFFFAOYSA-N 0 0 220.316 2.194 10 0 BEAERN Cc1cccc(C)c1OCC(=O)N[C@H]1C[C@@H]1C ZINC000075529666 179046243 /nfs/dbraw/zinc/04/62/43/179046243.db2.gz SUBBKOXVBPTQMO-RYUDHWBXSA-N 0 0 233.311 2.207 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCCCC(C)(C)C)O1 ZINC000155945883 346356373 /nfs/dbraw/zinc/35/63/73/346356373.db2.gz JJXJWPLOOMEXHQ-MNOVXSKESA-N 0 0 227.348 2.496 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1n1cc[nH]c1=S ZINC000148622360 346363738 /nfs/dbraw/zinc/36/37/38/346363738.db2.gz YBKFOXPGVREKPD-DTORHVGOSA-N 0 0 211.334 2.071 10 0 BEAERN Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000300712892 346373665 /nfs/dbraw/zinc/37/36/65/346373665.db2.gz QZBJIQFHXXOUFV-CHWFTXMASA-N 0 0 234.299 2.206 10 0 BEAERN OC[C@@H](O)CSCCC1CCCCC1 ZINC000300716732 346374845 /nfs/dbraw/zinc/37/48/45/346374845.db2.gz FBTYMQZFCWOIKG-LLVKDONJSA-N 0 0 218.362 2.043 10 0 BEAERN Fc1cnccc1-c1nnc(Br)o1 ZINC000157866021 346387381 /nfs/dbraw/zinc/38/73/81/346387381.db2.gz UVZUFFAULQGBJH-UHFFFAOYSA-N 0 0 244.023 2.033 10 0 BEAERN CCn1ccnc1-c1cc(C)nc(F)c1 ZINC000669379210 537975162 /nfs/dbraw/zinc/97/51/62/537975162.db2.gz XJFWGWIMWKAVNL-UHFFFAOYSA-N 0 0 205.236 2.413 10 0 BEAERN CCCCN(CCO)c1nc2cc(C)ccc2[nH]1 ZINC000725241203 537977047 /nfs/dbraw/zinc/97/70/47/537977047.db2.gz AQPGQOBYMCXEBN-UHFFFAOYSA-N 0 0 247.342 2.470 10 0 BEAERN Cc1[nH]nc(Nc2ccnc(Cl)n2)c1C ZINC000144120898 346417819 /nfs/dbraw/zinc/41/78/19/346417819.db2.gz JQDUCJAPWPBKNO-UHFFFAOYSA-N 0 0 223.667 2.214 10 0 BEAERN Cc1cccc(CNC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000128135715 179088810 /nfs/dbraw/zinc/08/88/10/179088810.db2.gz SHZVHLOFCDUJFP-DGCLKSJQSA-N 0 0 233.311 2.179 10 0 BEAERN Cc1cccc(CNC(=O)c2ccc(F)cc2)n1 ZINC000048481840 179088224 /nfs/dbraw/zinc/08/82/24/179088224.db2.gz OXTXZAFPJWGYKP-UHFFFAOYSA-N 0 0 244.269 2.459 10 0 BEAERN Cc1cccc(CNC(=O)c2cccc(C)n2)n1 ZINC000048736604 179088375 /nfs/dbraw/zinc/08/83/75/179088375.db2.gz AUMNNNFMCXDMEE-UHFFFAOYSA-N 0 0 241.294 2.023 10 0 BEAERN COCCc1cccc2sc(N)nc21 ZINC000229574760 346438163 /nfs/dbraw/zinc/43/81/63/346438163.db2.gz UYLODMLTQUTXAK-UHFFFAOYSA-N 0 0 208.286 2.067 10 0 BEAERN COCc1nc(CN[C@@H](C)C(F)F)cs1 ZINC000641794597 362735236 /nfs/dbraw/zinc/73/52/36/362735236.db2.gz WNXFPWYEXPGPAN-LURJTMIESA-N 0 0 236.287 2.033 10 0 BEAERN Cc1cccc(CNC(=O)c2ccccc2F)n1 ZINC000048481844 179088730 /nfs/dbraw/zinc/08/87/30/179088730.db2.gz VXAKULNNIYGJDN-UHFFFAOYSA-N 0 0 244.269 2.459 10 0 BEAERN C[C@@H](O)CNc1c(F)cccc1Cl ZINC000160376820 346449459 /nfs/dbraw/zinc/44/94/59/346449459.db2.gz BBMPTEMEZMBYAA-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN CC(=O)[C@H](C)Cc1cn2ccsc2n1 ZINC000148802587 346452337 /nfs/dbraw/zinc/45/23/37/346452337.db2.gz PWPQQRPKABJJJR-SSDOTTSWSA-N 0 0 208.286 2.163 10 0 BEAERN CC(C)c1nnc(CN2CCCC2(C)C)n1C ZINC000170872905 346465043 /nfs/dbraw/zinc/46/50/43/346465043.db2.gz DVCJUMHUQBMMQS-UHFFFAOYSA-N 0 0 236.363 2.313 10 0 BEAERN CSC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000300593344 346468695 /nfs/dbraw/zinc/46/86/95/346468695.db2.gz SCRUJSNQNXIQLR-ILWJIGKKSA-N 0 0 225.357 2.044 10 0 BEAERN Cc1cccc(N)c1C(=O)NC1CCCC1 ZINC000022177355 179119396 /nfs/dbraw/zinc/11/93/96/179119396.db2.gz VROKRFRZZLZRKB-UHFFFAOYSA-N 0 0 218.300 2.250 10 0 BEAERN COc1cncc(C(=O)C2CCCC2)c1 ZINC000162868884 346540875 /nfs/dbraw/zinc/54/08/75/346540875.db2.gz WTYOEUUGKWKGBF-UHFFFAOYSA-N 0 0 205.257 2.463 10 0 BEAERN CC(C)(C)OC(=O)[C@@]1(C)CCCCCN1 ZINC000669380140 537983850 /nfs/dbraw/zinc/98/38/50/537983850.db2.gz QSJGWLZUWOBASC-GFCCVEGCSA-N 0 0 213.321 2.250 10 0 BEAERN Cc1cccc(N(C)c2ncc(N)cn2)c1 ZINC000049979945 179118005 /nfs/dbraw/zinc/11/80/05/179118005.db2.gz REXPBLUDKUCXHG-UHFFFAOYSA-N 0 0 214.272 2.135 10 0 BEAERN Cc1cccc(N(C)Cc2nnsc2N)c1 ZINC000050815573 179118128 /nfs/dbraw/zinc/11/81/28/179118128.db2.gz ATSNPVUIASDRPL-UHFFFAOYSA-N 0 0 234.328 2.065 10 0 BEAERN Cc1ccc(CN2[C@@H](C)COC[C@@H]2C)c(C)n1 ZINC000187074350 346553814 /nfs/dbraw/zinc/55/38/14/346553814.db2.gz JAJQRVRWOIVLSF-RYUDHWBXSA-N 0 0 234.343 2.308 10 0 BEAERN CC(=O)CCC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000203097274 346621126 /nfs/dbraw/zinc/62/11/26/346621126.db2.gz HTBDHKJZKGEMIZ-OLZOCXBDSA-N 0 0 231.295 2.028 10 0 BEAERN Nc1cccc(C(=O)c2ccc[nH]2)c1Cl ZINC000164117006 346592097 /nfs/dbraw/zinc/59/20/97/346592097.db2.gz WKYFWACEXMSDJS-UHFFFAOYSA-N 0 0 220.659 2.481 10 0 BEAERN CC(C)(C)OC(=O)c1ccnc(F)c1F ZINC000164289294 346598574 /nfs/dbraw/zinc/59/85/74/346598574.db2.gz YPTFFDROYAPSIQ-UHFFFAOYSA-N 0 0 215.199 2.315 10 0 BEAERN C[C@@]1(C(=O)[C@H]2CCCO2)CCCS1 ZINC000164746583 346622199 /nfs/dbraw/zinc/62/21/99/346622199.db2.gz ADPAPETZZYLHJU-SCZZXKLOSA-N 0 0 200.303 2.020 10 0 BEAERN C[C@]1(C(=O)[C@@H]2CCCO2)CCCS1 ZINC000164746229 346622330 /nfs/dbraw/zinc/62/23/30/346622330.db2.gz ADPAPETZZYLHJU-WCBMZHEXSA-N 0 0 200.303 2.020 10 0 BEAERN NN[C@H](c1cc(F)ccc1Cl)C(F)F ZINC000164645710 346614306 /nfs/dbraw/zinc/61/43/06/346614306.db2.gz BPZUCKJGLJQCRF-SSDOTTSWSA-N 0 0 224.613 2.249 10 0 BEAERN C[C@@]1(C(=O)[C@H]2CCCCO2)CCCS1 ZINC000164751663 346623030 /nfs/dbraw/zinc/62/30/30/346623030.db2.gz ABVAJZLREXXWIH-KOLCDFICSA-N 0 0 214.330 2.410 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@H]1CCC[C@@H]1C ZINC000071205095 179119535 /nfs/dbraw/zinc/11/95/35/179119535.db2.gz PHZGBTBFYXPMOS-CABZTGNLSA-N 0 0 232.327 2.496 10 0 BEAERN C[C@]1(C(=O)[C@H]2CCCCO2)CCCS1 ZINC000164751556 346623062 /nfs/dbraw/zinc/62/30/62/346623062.db2.gz ABVAJZLREXXWIH-MWLCHTKSSA-N 0 0 214.330 2.410 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@@H]1CCC[C@H]1C ZINC000071205096 179119598 /nfs/dbraw/zinc/11/95/98/179119598.db2.gz PHZGBTBFYXPMOS-BXKDBHETSA-N 0 0 232.327 2.496 10 0 BEAERN Cc1cccc(N)c1NC(=O)C1CCC1 ZINC000036925523 179120003 /nfs/dbraw/zinc/12/00/03/179120003.db2.gz RRLDAPOOTBAXHI-UHFFFAOYSA-N 0 0 204.273 2.316 10 0 BEAERN Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCCO2)n1 ZINC000181843132 179135705 /nfs/dbraw/zinc/13/57/05/179135705.db2.gz XMRZIFOLOZZXHL-GHMZBOCLSA-N 0 0 249.314 2.079 10 0 BEAERN Cc1cccc(NC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000134926546 179136157 /nfs/dbraw/zinc/13/61/57/179136157.db2.gz BBMKQHFFOPHNMZ-GHMZBOCLSA-N 0 0 236.315 2.133 10 0 BEAERN Clc1cncc2c(Cl)ncnc12 ZINC000585681267 346653606 /nfs/dbraw/zinc/65/36/06/346653606.db2.gz GMDZTZMKBPAEDZ-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN Brc1nccc(OCC2CC2)n1 ZINC000585681337 346653621 /nfs/dbraw/zinc/65/36/21/346653621.db2.gz MCMFNGVHSBOULY-UHFFFAOYSA-N 0 0 229.077 2.028 10 0 BEAERN Cc1cccc(NC(=O)CSCCCO)c1 ZINC000058257879 179128876 /nfs/dbraw/zinc/12/88/76/179128876.db2.gz FYTKSEBYASYMHH-UHFFFAOYSA-N 0 0 239.340 2.049 10 0 BEAERN C[C@@H]1CCC[N@@H+](C2CCC(C(=O)[O-])CC2)C1 ZINC000108275671 346667869 /nfs/dbraw/zinc/66/78/69/346667869.db2.gz VJLFCBKYGNIQKQ-VOMCLLRMSA-N 0 0 225.332 2.362 10 0 BEAERN Cc1cccc(NC(=O)Cn2cccc2)c1 ZINC000004111072 179130800 /nfs/dbraw/zinc/13/08/00/179130800.db2.gz LLLUSDZUBIBUMT-UHFFFAOYSA-N 0 0 214.268 2.435 10 0 BEAERN Cc1cccc(NC(=O)N2CCC[C@@H](O)[C@@H]2C)c1 ZINC000296174142 179131631 /nfs/dbraw/zinc/13/16/31/179131631.db2.gz MIFVONJTOVPBMK-WCQYABFASA-N 0 0 248.326 2.372 10 0 BEAERN Cc1cccc(NC(=O)N2CCC[C@H](O)[C@H]2C)c1 ZINC000296174144 179132087 /nfs/dbraw/zinc/13/20/87/179132087.db2.gz MIFVONJTOVPBMK-YPMHNXCESA-N 0 0 248.326 2.372 10 0 BEAERN CCc1nnc(Cl)n1-c1ccc(C)nc1 ZINC000164976737 346635021 /nfs/dbraw/zinc/63/50/21/346635021.db2.gz AWYPJXYPBSZSMY-UHFFFAOYSA-N 0 0 222.679 2.187 10 0 BEAERN Clc1ccncc1NC[C@@H]1CCCO1 ZINC000166655679 346685289 /nfs/dbraw/zinc/68/52/89/346685289.db2.gz SVAGWMNVYAXMHZ-QMMMGPOBSA-N 0 0 212.680 2.326 10 0 BEAERN CC(C)[C@H](NN)c1ccc(F)cc1F ZINC000166862604 346692985 /nfs/dbraw/zinc/69/29/85/346692985.db2.gz VXAYYULUCFPPOF-JTQLQIEISA-N 0 0 200.232 2.125 10 0 BEAERN CC1=N/C(=C\c2ccccc2F)C(=O)N1C ZINC000169384950 346759734 /nfs/dbraw/zinc/75/97/34/346759734.db2.gz WWSPEZUHTOYCOC-XFFZJAGNSA-N 0 0 218.231 2.057 10 0 BEAERN CSc1ccc(N2CC[C@H](C)[C@@H]2C)nn1 ZINC000301492089 187371295 /nfs/dbraw/zinc/37/12/95/187371295.db2.gz OXHFDQWRIFPRKX-IUCAKERBSA-N 0 0 223.345 2.433 10 0 BEAERN Cc1cccc(N[C@H]2CCCC[C@H]2O)n1 ZINC000052005791 179157246 /nfs/dbraw/zinc/15/72/46/179157246.db2.gz IEZHPRUVAOAOPM-WDEREUQCSA-N 0 0 206.289 2.105 10 0 BEAERN CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C=O ZINC000169577726 346765484 /nfs/dbraw/zinc/76/54/84/346765484.db2.gz LJTURPRUPLQPRC-HIFRSBDPSA-N 0 0 245.322 2.012 10 0 BEAERN CCc1cc(Cl)ccc1[C@H]1COC(=[NH2+])N1 ZINC000169698886 346769192 /nfs/dbraw/zinc/76/91/92/346769192.db2.gz QMJCJXYDQQSDCX-SNVBAGLBSA-N 0 0 224.691 2.288 10 0 BEAERN O=c1[nH]c(C2CC2)nc2cc(Cl)ccc12 ZINC000009941200 346745983 /nfs/dbraw/zinc/74/59/83/346745983.db2.gz VZBMBSXTEUMWHN-UHFFFAOYSA-N 0 0 220.659 2.454 10 0 BEAERN C[C@H](Nc1nnnn1C)c1cccc(Cl)c1 ZINC000062939062 346751652 /nfs/dbraw/zinc/75/16/52/346751652.db2.gz KTKXHKUNJZAEMY-ZETCQYMHSA-N 0 0 237.694 2.037 10 0 BEAERN Cc1cccc(OCC2CCOCC2)c1N ZINC000052171011 179164489 /nfs/dbraw/zinc/16/44/89/179164489.db2.gz RUXIBAMQPHPPNF-UHFFFAOYSA-N 0 0 221.300 2.383 10 0 BEAERN Cc1cccc(OCCCC(N)=S)c1 ZINC000019514262 179164587 /nfs/dbraw/zinc/16/45/87/179164587.db2.gz DTIXVNWKXYZZSW-UHFFFAOYSA-N 0 0 209.314 2.440 10 0 BEAERN Cc1cccc(OCCN2CCC(=O)C[C@@H]2C)c1 ZINC000042896898 179166095 /nfs/dbraw/zinc/16/60/95/179166095.db2.gz LEALDUPTPNBORJ-ZDUSSCGKSA-N 0 0 247.338 2.427 10 0 BEAERN Cc1cccc(OCCN2CCC(=O)[C@@H](C)C2)c1 ZINC000042896712 179166303 /nfs/dbraw/zinc/16/63/03/179166303.db2.gz XOZOPIASVVVACO-ZDUSSCGKSA-N 0 0 247.338 2.285 10 0 BEAERN CON(C)C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000039927997 347193528 /nfs/dbraw/zinc/19/35/28/347193528.db2.gz PCMLGRABODVIGO-NWDGAFQWSA-N 0 0 219.284 2.118 10 0 BEAERN CC(=O)NCCNc1cnc(C)c2ccccc12 ZINC000039042592 347174859 /nfs/dbraw/zinc/17/48/59/347174859.db2.gz GOTSHIYJBZFYAN-UHFFFAOYSA-N 0 0 243.310 2.091 10 0 BEAERN O=C([O-])[C@]1(CC2CCCCC2)CC[NH2+]C1 ZINC000062878661 347242704 /nfs/dbraw/zinc/24/27/04/347242704.db2.gz VYXKHTBRWFPTGS-LBPRGKRZSA-N 0 0 211.305 2.021 10 0 BEAERN CCOC(=O)c1c(C)c(C#N)ccc1OC ZINC000390091479 347245592 /nfs/dbraw/zinc/24/55/92/347245592.db2.gz JJZFMXDKHDSONK-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCC1(CNC(=O)[C@H]2CCCO[C@@H]2C)CCC1 ZINC000189150241 347297682 /nfs/dbraw/zinc/29/76/82/347297682.db2.gz XYLHMILSKWUYJI-NEPJUHHUSA-N 0 0 239.359 2.498 10 0 BEAERN C[N@H+](C1CC1)[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250498460 362807589 /nfs/dbraw/zinc/80/75/89/362807589.db2.gz ZWBDSPFRBFJPPP-MNOVXSKESA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccc([C@H](N)c2nccs2)c1 ZINC000058432048 179199874 /nfs/dbraw/zinc/19/98/74/179199874.db2.gz HUFPJLCJBGVKNI-JTQLQIEISA-N 0 0 204.298 2.500 10 0 BEAERN Cc1cccc([C@H]([NH2+]C2CC2)C(=O)[O-])c1C ZINC000043315403 179201816 /nfs/dbraw/zinc/20/18/16/179201816.db2.gz YHSCHHWLNXFTJN-LBPRGKRZSA-N 0 0 219.284 2.181 10 0 BEAERN CCOC(=O)CC[C@H](O)c1ccccc1 ZINC000014503182 136731963 /nfs/dbraw/zinc/73/19/63/136731963.db2.gz JUIBZVQXJULPCN-NSHDSACASA-N 0 0 208.257 2.063 10 0 BEAERN CCCc1nc2cc(C3CC3)cc(O)n2n1 ZINC000725243022 537989175 /nfs/dbraw/zinc/98/91/75/537989175.db2.gz GCWFYPXSALNVRR-UHFFFAOYSA-N 0 0 217.272 2.265 10 0 BEAERN Cc1cccc2c1C(=O)N[C@@]1(CCCSC1)N2 ZINC000108943855 179212724 /nfs/dbraw/zinc/21/27/24/179212724.db2.gz QWYCWWUOLJIRAH-CYBMUJFWSA-N 0 0 248.351 2.374 10 0 BEAERN COC(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000019885638 347375126 /nfs/dbraw/zinc/37/51/26/347375126.db2.gz HQIHHJSAMPIINN-MRVPVSSYSA-N 0 0 227.691 2.164 10 0 BEAERN CC[C@@H](O)Cc1nc(Cc2cccc(C)c2)no1 ZINC000109491497 347415006 /nfs/dbraw/zinc/41/50/06/347415006.db2.gz IYSYEUFRQOBGHZ-GFCCVEGCSA-N 0 0 246.310 2.282 10 0 BEAERN Cc1cccc2nc(N[C@@H]3C[C@H]3CO)sc21 ZINC000309716559 179231178 /nfs/dbraw/zinc/23/11/78/179231178.db2.gz TXRFIHWZWBKFHD-WCBMZHEXSA-N 0 0 234.324 2.397 10 0 BEAERN Cc1cccc2nc(NC(C)C)oc(=O)c12 ZINC000013779166 179231559 /nfs/dbraw/zinc/23/15/59/179231559.db2.gz KYGGCZMWHBADHK-UHFFFAOYSA-N 0 0 218.256 2.317 10 0 BEAERN Cc1cccc2oc([C@@H](N)Cc3c[nH]cn3)nc21 ZINC000038052749 179233017 /nfs/dbraw/zinc/23/30/17/179233017.db2.gz PMZQHSMKHLYOND-JTQLQIEISA-N 0 0 242.282 2.102 10 0 BEAERN CC(C)(C)C(=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000675055272 537989966 /nfs/dbraw/zinc/98/99/66/537989966.db2.gz PANPKADBKJUKGZ-AXFHLTTASA-N 0 0 207.317 2.361 10 0 BEAERN Cc1ccccc1-c1cc2n(n1)CCC(=O)N2 ZINC000021781825 179235946 /nfs/dbraw/zinc/23/59/46/179235946.db2.gz ZZUIINBOTUVKOF-UHFFFAOYSA-N 0 0 227.267 2.201 10 0 BEAERN Cc1cccc2nc(-c3ccccn3)c(N)n21 ZINC000036222173 179228359 /nfs/dbraw/zinc/22/83/59/179228359.db2.gz USQJYHXBCVTWPJ-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN COC(=O)Nc1ccc(N)cc1Br ZINC000036744250 347448425 /nfs/dbraw/zinc/44/84/25/347448425.db2.gz RTCDLOLFDFBKFY-UHFFFAOYSA-N 0 0 245.076 2.210 10 0 BEAERN O=c1cc[nH]c2c(F)ccc(Br)c12 ZINC000036753190 347448672 /nfs/dbraw/zinc/44/86/72/347448672.db2.gz GZLLDRWYEUNPGR-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN Cc1ccccc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000058965205 179245383 /nfs/dbraw/zinc/24/53/83/179245383.db2.gz AGLOYGILZBMTRU-LBPRGKRZSA-N 0 0 233.311 2.246 10 0 BEAERN Cc1ccccc1C(=O)CN1CCCC1 ZINC000037332180 179245551 /nfs/dbraw/zinc/24/55/51/179245551.db2.gz SPGQEXXBHPRUNB-UHFFFAOYSA-N 0 0 203.285 2.274 10 0 BEAERN COC1(CCNC(=O)OC(C)C)CCC1 ZINC000380107836 365882045 /nfs/dbraw/zinc/88/20/45/365882045.db2.gz KAXYUUOSUXQBQG-UHFFFAOYSA-N 0 0 215.293 2.080 10 0 BEAERN Cc1cccc2c1C[C@@H](C(N)=S)CC2 ZINC000616568898 347473796 /nfs/dbraw/zinc/47/37/96/347473796.db2.gz NQXGTSLDTGGFLR-JTQLQIEISA-N 0 0 205.326 2.386 10 0 BEAERN C[NH+](C)Cc1cc(Cl)cc(C(=O)[O-])c1 ZINC000669380446 537990543 /nfs/dbraw/zinc/99/05/43/537990543.db2.gz ZMNOANMOYGJSQO-UHFFFAOYSA-N 0 0 213.664 2.100 10 0 BEAERN CC(C)[C@H](C)NC(=O)CC1(O)CCCCC1 ZINC000114165188 187376467 /nfs/dbraw/zinc/37/64/67/187376467.db2.gz DDUPWIWCEYYLIF-NSHDSACASA-N 0 0 227.348 2.232 10 0 BEAERN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000225673568 179251388 /nfs/dbraw/zinc/25/13/88/179251388.db2.gz JORRHDGNPFVZMY-GXTWGEPZSA-N 0 0 247.338 2.276 10 0 BEAERN C[C@@H]1CC[C@H](Nc2cc(F)ncn2)[C@@H]1C ZINC000150117967 347652419 /nfs/dbraw/zinc/65/24/19/347652419.db2.gz DEUTZMVGTOIRKN-HLTSFMKQSA-N 0 0 209.268 2.462 10 0 BEAERN Cc1ccc(CNC(=O)c2cccc(F)c2N)o1 ZINC000054213266 1172094057 /nfs/dbraw/zinc/09/40/57/1172094057.db2.gz JMFDHFUORMLZKX-UHFFFAOYSA-N 0 0 248.257 2.239 10 0 BEAERN Cc1nnc(N2CC[C@H](C)[C@@H]2C)n1C(C)C ZINC000334522684 133681925 /nfs/dbraw/zinc/68/19/25/133681925.db2.gz PYOCZVWTTMBODD-UWVGGRQHSA-N 0 0 222.336 2.402 10 0 BEAERN Cc1nn(C)c(NCc2ccccc2C)c1N ZINC000048265830 179284959 /nfs/dbraw/zinc/28/49/59/179284959.db2.gz QYXZNROBTXZVTB-UHFFFAOYSA-N 0 0 230.315 2.231 10 0 BEAERN Cc1ccccc1CNCc1ncccn1 ZINC000054459283 179283129 /nfs/dbraw/zinc/28/31/29/179283129.db2.gz DKKYFDVBCNBMEB-UHFFFAOYSA-N 0 0 213.284 2.075 10 0 BEAERN Cc1ccccc1N(C)c1nccnc1CN ZINC000054378132 179295122 /nfs/dbraw/zinc/29/51/22/179295122.db2.gz QTWOWBMRINKBLK-UHFFFAOYSA-N 0 0 228.299 2.012 10 0 BEAERN C=C(Br)S(=O)(=O)c1ccccc1 ZINC000196154187 347810855 /nfs/dbraw/zinc/81/08/55/347810855.db2.gz JUMNULTVLDYDEM-UHFFFAOYSA-N 0 0 247.113 2.326 10 0 BEAERN CC1CC(C(=O)N(C)Cc2ccc(O)cc2)C1 ZINC000531248525 347866494 /nfs/dbraw/zinc/86/64/94/347866494.db2.gz LVGKZTKUPVMJKG-UHFFFAOYSA-N 0 0 233.311 2.397 10 0 BEAERN Cc1ccccc1OC(=O)CCc1ccnn1C ZINC000122916290 179308525 /nfs/dbraw/zinc/30/85/25/179308525.db2.gz WAARODAEURCESM-UHFFFAOYSA-N 0 0 244.294 2.267 10 0 BEAERN Nc1ccc(-c2ccnc(C3OCCO3)c2)cc1 ZINC000196370734 347867670 /nfs/dbraw/zinc/86/76/70/347867670.db2.gz KIKFFIMYVUQWDQ-UHFFFAOYSA-N 0 0 242.278 2.376 10 0 BEAERN Cc1ccccc1OCCCC(N)=S ZINC000019473159 179309591 /nfs/dbraw/zinc/30/95/91/179309591.db2.gz RTUVCPRHJUITBK-UHFFFAOYSA-N 0 0 209.314 2.440 10 0 BEAERN CCOC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000196389104 347870859 /nfs/dbraw/zinc/87/08/59/347870859.db2.gz HJVRUIJNHGMHPI-UHFFFAOYSA-N 0 0 230.267 2.108 10 0 BEAERN O=C1c2ccccc2COc2ccc(CO)cc21 ZINC000196396612 347875477 /nfs/dbraw/zinc/87/54/77/347875477.db2.gz SLRDVEKGTMLRFM-UHFFFAOYSA-N 0 0 240.258 2.302 10 0 BEAERN CC(C)c1nnc(CN2CCCCCC2)n1C ZINC000195006448 259398597 /nfs/dbraw/zinc/39/85/97/259398597.db2.gz KPZYQLGJYYXPKE-UHFFFAOYSA-N 0 0 236.363 2.315 10 0 BEAERN Cc1ccccc1OCc1nnsc1N ZINC000050830997 179313278 /nfs/dbraw/zinc/31/32/78/179313278.db2.gz LCZVDEZKPWNEPM-UHFFFAOYSA-N 0 0 221.285 2.008 10 0 BEAERN O=C(Cc1ncc[nH]1)c1cccc(Cl)c1 ZINC000036946687 347985007 /nfs/dbraw/zinc/98/50/07/347985007.db2.gz TXGDLWGVUVKKKW-UHFFFAOYSA-N 0 0 220.659 2.489 10 0 BEAERN C=CC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037002390 348000978 /nfs/dbraw/zinc/00/09/78/348000978.db2.gz ZJCWVVPIOYKUJG-SSDOTTSWSA-N 0 0 211.211 2.328 10 0 BEAERN Cc1ccc(S(=O)(=O)N[Si](C)(C)C)cc1 ZINC000197145005 348113532 /nfs/dbraw/zinc/11/35/32/348113532.db2.gz KPNVQKJPVNHKBT-UHFFFAOYSA-N 0 0 243.404 2.108 10 0 BEAERN Cc1ccccc1[C@H]1Cc2c(cnn2C)[C@H](O)C1 ZINC000072415821 179351183 /nfs/dbraw/zinc/35/11/83/179351183.db2.gz RTOMKWXQKYFGHP-XHDPSFHLSA-N 0 0 242.322 2.492 10 0 BEAERN Cc1cccn(Cc2ccc(Cl)c(N)c2)c1=O ZINC000062985694 179351637 /nfs/dbraw/zinc/35/16/37/179351637.db2.gz YZDZNWSPMOGRJV-UHFFFAOYSA-N 0 0 248.713 2.441 10 0 BEAERN O=Cc1ccc(C(F)(F)F)nc1N1CCC1 ZINC000669381492 537998594 /nfs/dbraw/zinc/99/85/94/537998594.db2.gz LGUNYXAWOHIWSE-UHFFFAOYSA-N 0 0 230.189 2.123 10 0 BEAERN O=c1cc(Cl)nc2cc(C3CC3)ccn12 ZINC000725244382 537998742 /nfs/dbraw/zinc/99/87/42/537998742.db2.gz IABMVMNXOUVTHD-UHFFFAOYSA-N 0 0 220.659 2.225 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669382364 537999467 /nfs/dbraw/zinc/99/94/67/537999467.db2.gz GZVAKJKPAHJUTM-LFSVMHDDSA-N 0 0 224.300 2.287 10 0 BEAERN COC(=O)c1ccc(-c2cnco2)cc1OC ZINC000222074452 348208392 /nfs/dbraw/zinc/20/83/92/348208392.db2.gz JYFFLEMTBPOKSW-UHFFFAOYSA-N 0 0 233.223 2.137 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12C[C@H]1CCCC[C@H]12 ZINC000669382154 537998860 /nfs/dbraw/zinc/99/88/60/537998860.db2.gz AOIMETFHBNTZHK-WFFHOREQSA-N 0 0 224.300 2.287 10 0 BEAERN CC(=O)/C=C/c1cnc(Br)cc1N ZINC000223649579 348239425 /nfs/dbraw/zinc/23/94/25/348239425.db2.gz DFGZXQPOMINNIK-NSCUHMNNSA-N 0 0 241.088 2.029 10 0 BEAERN COCOc1cnc(Cl)cc1[C@@H](O)C1CC1 ZINC000725245027 538000111 /nfs/dbraw/zinc/00/01/11/538000111.db2.gz DGUMJMLLGIQSMI-NSHDSACASA-N 0 0 243.690 2.161 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251383515 362868473 /nfs/dbraw/zinc/86/84/73/362868473.db2.gz ZVMYNBFPOVDGBB-QWRGUYRKSA-N 0 0 213.321 2.360 10 0 BEAERN Cn1ncnc1CSCC[Si](C)(C)C ZINC000725245005 538000359 /nfs/dbraw/zinc/00/03/59/538000359.db2.gz CQFBSFWZKQNZSI-UHFFFAOYSA-N 0 0 229.425 2.387 10 0 BEAERN CCO[C@@H]1OC(=O)C[C@H]1Cc1ccccc1 ZINC000223332574 348232661 /nfs/dbraw/zinc/23/26/61/348232661.db2.gz QMCMVRBDBSVYLS-DGCLKSJQSA-N 0 0 220.268 2.155 10 0 BEAERN CCO[C@@H]1OC(=O)C[C@@H]1Cc1ccccc1 ZINC000223332685 348232833 /nfs/dbraw/zinc/23/28/33/348232833.db2.gz QMCMVRBDBSVYLS-WCQYABFASA-N 0 0 220.268 2.155 10 0 BEAERN CC(=O)COc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000224857074 348264779 /nfs/dbraw/zinc/26/47/79/348264779.db2.gz VNQPQORBIRRAIF-UHFFFAOYSA-N 0 0 234.230 2.184 10 0 BEAERN Cc1nccn1-c1ccc(F)cc1C=O ZINC000037233961 348277432 /nfs/dbraw/zinc/27/74/32/348277432.db2.gz JCSIGZVAXAECOM-UHFFFAOYSA-N 0 0 204.204 2.132 10 0 BEAERN CC(C)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117741215 187392645 /nfs/dbraw/zinc/39/26/45/187392645.db2.gz RTBROVSCUOZQQV-JOYOIKCWSA-N 0 0 219.284 2.076 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12CCC21CCCC1 ZINC000669382799 538001918 /nfs/dbraw/zinc/00/19/18/538001918.db2.gz DNHURGCEDJWCCA-CHWSQXEVSA-N 0 0 224.300 2.431 10 0 BEAERN CC[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000251511773 362883575 /nfs/dbraw/zinc/88/35/75/362883575.db2.gz FOJYQTKKAIZBTO-XLPZGREQSA-N 0 0 223.238 2.490 10 0 BEAERN CO[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037346716 348348476 /nfs/dbraw/zinc/34/84/76/348348476.db2.gz KVXYAISGYAYIHW-LURJTMIESA-N 0 0 200.184 2.182 10 0 BEAERN Cc1ccn(-c2cc(Br)ccn2)n1 ZINC000044118423 179399896 /nfs/dbraw/zinc/39/98/96/179399896.db2.gz ABSXTYUBAWLBRW-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251693186 362899876 /nfs/dbraw/zinc/89/98/76/362899876.db2.gz AXILZYGZFANPNQ-ZRUFSTJUSA-N 0 0 213.321 2.216 10 0 BEAERN CC(=O)CCN1CCO[C@@H](c2ccccc2C)C1 ZINC000126085441 187394247 /nfs/dbraw/zinc/39/42/47/187394247.db2.gz URWOUBZGKPSREE-OAHLLOKOSA-N 0 0 247.338 2.347 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000251597005 362889854 /nfs/dbraw/zinc/88/98/54/362889854.db2.gz BNPMEYZZGUHRAV-VWYCJHECSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccnc1N[C@H]1CCCC[C@H]1O ZINC000052006226 179396002 /nfs/dbraw/zinc/39/60/02/179396002.db2.gz LDIAICVMRFWHQI-WDEREUQCSA-N 0 0 206.289 2.105 10 0 BEAERN CCN(CC(F)F)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000386031812 362926694 /nfs/dbraw/zinc/92/66/94/362926694.db2.gz VQPCAJAXEUSZFP-AYMMMOKOSA-N 0 0 217.259 2.146 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)CC1CCCC1 ZINC000669382737 538004851 /nfs/dbraw/zinc/00/48/51/538004851.db2.gz KRRTZGAQXPJYNZ-QWRGUYRKSA-N 0 0 232.707 2.464 10 0 BEAERN Cc1ccnc(Oc2cc(F)ccc2N)n1 ZINC000061859546 179463476 /nfs/dbraw/zinc/46/34/76/179463476.db2.gz YSNGDPLXJRICNQ-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN CC(=O)c1cnn(Cc2ccccc2F)c1 ZINC000054716077 348465970 /nfs/dbraw/zinc/46/59/70/348465970.db2.gz VYKHDKKEVSSQLB-UHFFFAOYSA-N 0 0 218.231 2.273 10 0 BEAERN CC(=O)c1cnn(Cc2ccc(F)cc2)c1 ZINC000054716069 348465997 /nfs/dbraw/zinc/46/59/97/348465997.db2.gz XQYZFEDYVWRUGL-UHFFFAOYSA-N 0 0 218.231 2.273 10 0 BEAERN CCCC[C@@H]1C[C@@H](C(=O)[O-])[C@H]2CCC[N@H+]12 ZINC000669382965 538006165 /nfs/dbraw/zinc/00/61/65/538006165.db2.gz QCORUKFZTKNLCS-GMTAPVOTSA-N 0 0 211.305 2.114 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12C[C@@H]1CCCC[C@@H]12 ZINC000669383057 538006468 /nfs/dbraw/zinc/00/64/68/538006468.db2.gz MGNRVKPYKACDPG-HLFFCZDVSA-N 0 0 230.691 2.074 10 0 BEAERN CCCC[C@@H]1C[C@@H](C(=O)[O-])[C@@H]2CCC[N@H+]12 ZINC000669382968 538006605 /nfs/dbraw/zinc/00/66/05/538006605.db2.gz QCORUKFZTKNLCS-MXWKQRLJSA-N 0 0 211.305 2.114 10 0 BEAERN CCc1noc2nc(CC3CC3)cc(N)c12 ZINC000669383418 538007929 /nfs/dbraw/zinc/00/79/29/538007929.db2.gz HUHAZIKMCKUOAI-UHFFFAOYSA-N 0 0 217.272 2.320 10 0 BEAERN CCCC[C@]1(C)O[C@]1(CC)C(=O)OC ZINC000669383551 538008093 /nfs/dbraw/zinc/00/80/93/538008093.db2.gz JDSFFQLWSZDLHZ-WDEREUQCSA-N 0 0 200.278 2.287 10 0 BEAERN Clc1ccc(N2CCOCC2)c(Cl)n1 ZINC000206428953 348639614 /nfs/dbraw/zinc/63/96/14/348639614.db2.gz HMAZGIZFQHGPTK-UHFFFAOYSA-N 0 0 233.098 2.225 10 0 BEAERN Cc1cnc(NC[C@@H]2CCCC[C@@H]2O)nc1C ZINC000270677473 179634556 /nfs/dbraw/zinc/63/45/56/179634556.db2.gz BPTDZLGENYFLFQ-RYUDHWBXSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cnc(NC[C@@H](O)C(C)(C)C)s1 ZINC000302909238 179635020 /nfs/dbraw/zinc/63/50/20/179635020.db2.gz YMFYGSZGRKLHHM-MRVPVSSYSA-N 0 0 214.334 2.270 10 0 BEAERN Cc1cnc2c(c1)C[C@H](C)C[C@H]2C(N)=S ZINC000039212839 179656053 /nfs/dbraw/zinc/65/60/53/179656053.db2.gz RHNVDGQZTHHJRU-OIBJUYFYSA-N 0 0 220.341 2.342 10 0 BEAERN CCOC(=O)[C@@H](CC(=O)C(C)C)C(=O)C(C)C ZINC000725247988 538013042 /nfs/dbraw/zinc/01/30/42/538013042.db2.gz GMUJCXSJBFXRKO-JTQLQIEISA-N 0 0 242.315 2.006 10 0 BEAERN COC(=O)CCCCCNC(=O)CC(C)(C)C ZINC000035161043 358455207 /nfs/dbraw/zinc/45/52/07/358455207.db2.gz MHAWFWITQKDCFG-UHFFFAOYSA-N 0 0 243.347 2.272 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@@]1(C)Cc1cccs1 ZINC000669384373 538015032 /nfs/dbraw/zinc/01/50/32/538015032.db2.gz URSYDSLBXGWSQD-RYUDHWBXSA-N 0 0 240.324 2.401 10 0 BEAERN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]C ZINC000054074763 348876335 /nfs/dbraw/zinc/87/63/35/348876335.db2.gz SXIJULXWAPEZOU-CHWSQXEVSA-N 0 0 248.370 2.422 10 0 BEAERN CCCC(=O)C[C@H](C(=O)OCC)C(=O)C(C)C ZINC000725248468 538017179 /nfs/dbraw/zinc/01/71/79/538017179.db2.gz VWEIBFGKPFYSSN-NSHDSACASA-N 0 0 242.315 2.150 10 0 BEAERN Cc1cc(=O)n(C2CCCCC2)cc1N ZINC000725248883 538018056 /nfs/dbraw/zinc/01/80/56/538018056.db2.gz NDZCZGYUCSJICG-UHFFFAOYSA-N 0 0 206.289 2.244 10 0 BEAERN CNS(=O)(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000669375290 538018306 /nfs/dbraw/zinc/01/83/06/538018306.db2.gz HNGRMVKQJMNEOP-YFKPBYRVSA-N 0 0 239.749 2.012 10 0 BEAERN Cc1cc(=O)n([C@H](C)CC(C)C)cc1N ZINC000725249038 538018622 /nfs/dbraw/zinc/01/86/22/538018622.db2.gz UGYYQLHCAZFTPD-SNVBAGLBSA-N 0 0 208.305 2.346 10 0 BEAERN C=C(C(=O)OC)[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000115736385 348923137 /nfs/dbraw/zinc/92/31/37/348923137.db2.gz VKPBCQCNHDJJNI-SNVBAGLBSA-N 0 0 244.649 2.242 10 0 BEAERN COC1(C(N)=S)CCC(C)(C)CC1 ZINC000159160886 348986887 /nfs/dbraw/zinc/98/68/87/348986887.db2.gz OZJYWHJEEFGWSU-UHFFFAOYSA-N 0 0 201.335 2.258 10 0 BEAERN C/C=C\[C@@H](CF)N1C(=O)c2ccccc2C1=O ZINC000198840199 348989437 /nfs/dbraw/zinc/98/94/37/348989437.db2.gz YYORIIZWGKWFEC-ANTNXHBISA-N 0 0 233.242 2.197 10 0 BEAERN CC(C)(CC(=O)NC[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000340910158 187406363 /nfs/dbraw/zinc/40/63/63/187406363.db2.gz DHAMWFSJNFYHRB-JQWIXIFHSA-N 0 0 239.359 2.090 10 0 BEAERN CCOC(CC(=O)[C@H]1C[C@H]1C)OCC ZINC000321397462 538019895 /nfs/dbraw/zinc/01/98/95/538019895.db2.gz FAGOQCBPRFJTLZ-BDAKNGLRSA-N 0 0 200.278 2.001 10 0 BEAERN CCc1nnc(CN2CCCCC2)s1 ZINC000130033135 490212185 /nfs/dbraw/zinc/21/21/85/490212185.db2.gz KQSLIJUNHIQUHH-UHFFFAOYSA-N 0 0 211.334 2.086 10 0 BEAERN COc1ccc([C@H](C)n2nccc2N)c(OC)c1 ZINC000019689290 187417330 /nfs/dbraw/zinc/41/73/30/187417330.db2.gz AGZCVYSATQIRQJ-VIFPVBQESA-N 0 0 247.298 2.092 10 0 BEAERN CC(=O)N(C)[C@@H](C(=S)NC(C)(C)C)C(C)C ZINC000022130324 187419591 /nfs/dbraw/zinc/41/95/91/187419591.db2.gz NKTFARLWKIMRQP-SNVBAGLBSA-N 0 0 244.404 2.205 10 0 BEAERN NC(=S)c1ccc(NCc2cccnc2)cc1 ZINC000021790628 187419650 /nfs/dbraw/zinc/41/96/50/187419650.db2.gz SIJZAEDYOMHOTA-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN Cc1cccc(C(=O)Nc2ccccn2)c1N ZINC000021953616 187419771 /nfs/dbraw/zinc/41/97/71/187419771.db2.gz VRXHYLSGWKAMOS-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN CC[C@@H](O)OC[C@@H](C)Oc1ccccc1 ZINC000198861397 349007038 /nfs/dbraw/zinc/00/70/38/349007038.db2.gz FWRGCSBAKVECHW-PWSUYJOCSA-N 0 0 210.273 2.199 10 0 BEAERN Cc1c(N)cccc1C(=O)N1CCC[C@@H]1C ZINC000037909605 187425650 /nfs/dbraw/zinc/42/56/50/187425650.db2.gz GFRXYTZLVIWWET-VIFPVBQESA-N 0 0 218.300 2.202 10 0 BEAERN CCC(=O)NC[C@H]1CCNc2ccccc21 ZINC000616573534 349071595 /nfs/dbraw/zinc/07/15/95/349071595.db2.gz ZJCWQQKPYKLOLE-SNVBAGLBSA-N 0 0 218.300 2.112 10 0 BEAERN Cc1cc(Cl)ccc1Cn1cc(N)cn1 ZINC000725250093 538024470 /nfs/dbraw/zinc/02/44/70/538024470.db2.gz XXTFCVCTVPGRMU-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN COC(=O)c1ccc(C=O)c(OC(F)(F)F)c1 ZINC000616576348 349101522 /nfs/dbraw/zinc/10/15/22/349101522.db2.gz NMHKUVWOYAJMRC-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN CC(=O)c1ccc(O)cc1OC(F)(F)F ZINC000616576398 349101571 /nfs/dbraw/zinc/10/15/71/349101571.db2.gz OMZVLGWZIYJEKF-UHFFFAOYSA-N 0 0 220.146 2.493 10 0 BEAERN CC[C@@]1(C(=O)[O-])CC[N@@H+](C2CCCC2)C1 ZINC000062937240 349125215 /nfs/dbraw/zinc/12/52/15/349125215.db2.gz LPFGWATVNGDTIF-GFCCVEGCSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1csc(NC[C@@H]2CCCOC2)n1 ZINC000038046410 179789189 /nfs/dbraw/zinc/78/91/89/179789189.db2.gz IHNNCYVQWWGWLH-VIFPVBQESA-N 0 0 212.318 2.290 10 0 BEAERN COc1ccc(CCC(C)=O)c(OC)c1OC ZINC000059397380 349217454 /nfs/dbraw/zinc/21/74/54/349217454.db2.gz MDZHAMBECWEJDK-UHFFFAOYSA-N 0 0 238.283 2.234 10 0 BEAERN CCC(=O)N[C@H]1Cc2cc(C)cc(C)c21 ZINC000005203223 349231449 /nfs/dbraw/zinc/23/14/49/349231449.db2.gz GWPVQPDUWYOJHX-NSHDSACASA-N 0 0 203.285 2.427 10 0 BEAERN COCCOc1ccc2ccccc2n1 ZINC000059659750 349232833 /nfs/dbraw/zinc/23/28/33/349232833.db2.gz KMOXFLUHGPLFGP-UHFFFAOYSA-N 0 0 203.241 2.260 10 0 BEAERN Cc1cscc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000175672070 179802016 /nfs/dbraw/zinc/80/20/16/179802016.db2.gz HUADMAACNWJIRE-UWVGGRQHSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1cscc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000175672056 179802389 /nfs/dbraw/zinc/80/23/89/179802389.db2.gz HUADMAACNWJIRE-NXEZZACHSA-N 0 0 239.340 2.306 10 0 BEAERN CC(C)c1cncc(Br)n1 ZINC000044119904 187433673 /nfs/dbraw/zinc/43/36/73/187433673.db2.gz ZVRPFWMAFFULEG-UHFFFAOYSA-N 0 0 201.067 2.363 10 0 BEAERN Cc1nc(-c2ccc(Cl)cc2N)n[nH]1 ZINC000048630504 179810416 /nfs/dbraw/zinc/81/04/16/179810416.db2.gz KVGGCCATVDKLFA-UHFFFAOYSA-N 0 0 208.652 2.016 10 0 BEAERN CC(C)C(=O)[C@@H]1CNc2ccccc2O1 ZINC000167871792 349288201 /nfs/dbraw/zinc/28/82/01/349288201.db2.gz BKQFHJLBZSBWMI-NSHDSACASA-N 0 0 205.257 2.085 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(N)c1 ZINC000036736562 179827489 /nfs/dbraw/zinc/82/74/89/179827489.db2.gz HHSQKCIPTNLIMZ-UHFFFAOYSA-N 0 0 245.286 2.253 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)NC1CCCCC1 ZINC000036734208 179827613 /nfs/dbraw/zinc/82/76/13/179827613.db2.gz JXIZJHPPXODKCU-UHFFFAOYSA-N 0 0 236.319 2.481 10 0 BEAERN Cc1n[nH]c(C)c1NCc1cccc2c1OCO2 ZINC000036168497 179828965 /nfs/dbraw/zinc/82/89/65/179828965.db2.gz VJDSXRJRVQUELV-UHFFFAOYSA-N 0 0 245.282 2.367 10 0 BEAERN C1CCC(ONC2CCSCC2)C1 ZINC000136893897 349265764 /nfs/dbraw/zinc/26/57/64/349265764.db2.gz DLVMRKCDYVTKAC-UHFFFAOYSA-N 0 0 201.335 2.346 10 0 BEAERN Cc1[nH]nc2c1ncnc2Nc1ccccc1 ZINC000041527884 179839121 /nfs/dbraw/zinc/83/91/21/179839121.db2.gz FWWKXDIHDPNQAK-UHFFFAOYSA-N 0 0 225.255 2.405 10 0 BEAERN Cc1n[nH]cc1C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000362840771 179842919 /nfs/dbraw/zinc/84/29/19/179842919.db2.gz ROXOWWWFZAYJFH-CMPLNLGQSA-N 0 0 233.315 2.123 10 0 BEAERN C[C@@H]1C(=O)c2ccc(F)cc2[S@](=O)[C@H]1C ZINC000299895363 349277520 /nfs/dbraw/zinc/27/75/20/349277520.db2.gz PKPRFHHJGHYEIJ-IMTVCQGZSA-N 0 0 226.272 2.154 10 0 BEAERN [NH3+][C@H](c1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC000725253500 538037309 /nfs/dbraw/zinc/03/73/09/538037309.db2.gz NFZDGLLAYQSITL-VIFPVBQESA-N 0 0 240.328 2.421 10 0 BEAERN CCOC(=O)N1CCc2ccccc2[C@H]1OC ZINC000616584022 349328945 /nfs/dbraw/zinc/32/89/45/349328945.db2.gz HHRUWRQUUIGFNO-GFCCVEGCSA-N 0 0 235.283 2.346 10 0 BEAERN CC(=O)N1C[C@@H](C(F)(F)F)Nc2ccccc21 ZINC000616584814 349358589 /nfs/dbraw/zinc/35/85/89/349358589.db2.gz RONBPBSKMUQVQM-JTQLQIEISA-N 0 0 244.216 2.396 10 0 BEAERN Cc1nc(-c2ccc(Cl)cc2N)no1 ZINC000082533317 179864072 /nfs/dbraw/zinc/86/40/72/179864072.db2.gz ULLMXKIYBHKSJQ-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN Cc1nc(-c2ccc3c(c2)CCO3)nc(N)c1C ZINC000050867504 179864875 /nfs/dbraw/zinc/86/48/75/179864875.db2.gz XIULLAQORNEYFK-UHFFFAOYSA-N 0 0 241.294 2.278 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1c1cnoc1 ZINC000616583872 349318410 /nfs/dbraw/zinc/31/84/10/349318410.db2.gz GLCAOSLFKRSMBS-ZDUSSCGKSA-N 0 0 243.266 2.194 10 0 BEAERN CN1CC[C@@H](c2ccnc(N)c2)c2ccccc21 ZINC000616585035 349365225 /nfs/dbraw/zinc/36/52/25/349365225.db2.gz DKMPMDHNAUDJRN-LBPRGKRZSA-N 0 0 239.322 2.466 10 0 BEAERN CCOC(=O)[C@H]1CNc2ccccc2N1C(C)C ZINC000616585451 349373039 /nfs/dbraw/zinc/37/30/39/349373039.db2.gz QNVCLJJTVYXVLI-CYBMUJFWSA-N 0 0 248.326 2.259 10 0 BEAERN FC(F)(F)CNCc1ccc2[nH]cnc2c1 ZINC000061668509 349384219 /nfs/dbraw/zinc/38/42/19/349384219.db2.gz GSKAOAHFSOJOGO-UHFFFAOYSA-N 0 0 229.205 2.215 10 0 BEAERN CC(C)(C)N1c2ccccc2NC[C@@H]1CCO ZINC000616586436 349408628 /nfs/dbraw/zinc/40/86/28/349408628.db2.gz VYVUTBPWXRBCRY-NSHDSACASA-N 0 0 234.343 2.468 10 0 BEAERN Cc1nc(C)nc(C(Cl)(Cl)Cl)n1 ZINC000002018688 179924923 /nfs/dbraw/zinc/92/49/23/179924923.db2.gz HOZNAODMOJEDCI-UHFFFAOYSA-N 0 0 226.494 2.315 10 0 BEAERN Cc1c2c(ccc1Br)[C@@H](O)OC2 ZINC000216648268 350008419 /nfs/dbraw/zinc/00/84/19/350008419.db2.gz VUYCEFRMZXTFQV-VIFPVBQESA-N 0 0 229.073 2.279 10 0 BEAERN CCC=NNC(=O)COc1ccc(Cl)cc1 ZINC000257350864 349415662 /nfs/dbraw/zinc/41/56/62/349415662.db2.gz AQUPPHLUAUQKAD-UHFFFAOYSA-N 0 0 240.690 2.231 10 0 BEAERN O=C([O-])[C@@H]1CC[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C1 ZINC000725254243 538043855 /nfs/dbraw/zinc/04/38/55/538043855.db2.gz YPYWCWPJUGJLMB-MCIONIFRSA-N 0 0 245.322 2.339 10 0 BEAERN CC(=O)c1cc(Br)c(C)nc1F ZINC000217082632 350037434 /nfs/dbraw/zinc/03/74/34/350037434.db2.gz BWAZCEWYIVXESB-UHFFFAOYSA-N 0 0 232.052 2.494 10 0 BEAERN C[C@H]1C[C@H]1Nc1ncncc1Br ZINC000085465646 191008723 /nfs/dbraw/zinc/00/87/23/191008723.db2.gz KIQUBPWSXYOZFE-CAHLUQPWSA-N 0 0 228.093 2.059 10 0 BEAERN Cc1nc([C@H](C)NCc2ccc(=O)[nH]c2)cs1 ZINC000392858383 350108314 /nfs/dbraw/zinc/10/83/14/350108314.db2.gz SQALJOQOFJUFTK-QMMMGPOBSA-N 0 0 249.339 2.403 10 0 BEAERN Cc1nc(N)sc1S[C@H]1CCC[C@@H]1O ZINC000037690546 180000949 /nfs/dbraw/zinc/00/09/49/180000949.db2.gz PWAYKKZQHNMLKR-BQBZGAKWSA-N 0 0 230.358 2.039 10 0 BEAERN Cc1nc(N)sc1SC[C@H]1CCOC1 ZINC000049688891 180001327 /nfs/dbraw/zinc/00/13/27/180001327.db2.gz WZQPZDSMFJOJPI-ZETCQYMHSA-N 0 0 230.358 2.162 10 0 BEAERN Cc1nc(NCCCO)cc(-c2ccccc2)n1 ZINC000011849504 180018151 /nfs/dbraw/zinc/01/81/51/180018151.db2.gz RZXNGZHBEBHLCM-UHFFFAOYSA-N 0 0 243.310 2.246 10 0 BEAERN Cc1nc(NCc2ccccc2)ncc1O ZINC000075625293 180020764 /nfs/dbraw/zinc/02/07/64/180020764.db2.gz SREKKYGUQVTGKQ-UHFFFAOYSA-N 0 0 215.256 2.103 10 0 BEAERN O=c1c(Cc2cccs2)cnc2sccn21 ZINC000071261087 350094856 /nfs/dbraw/zinc/09/48/56/350094856.db2.gz ZHOWSQAAMJQWJS-UHFFFAOYSA-N 0 0 248.332 2.408 10 0 BEAERN CC(C)CCc1cnc2sccn2c1=O ZINC000071261083 350095222 /nfs/dbraw/zinc/09/52/22/350095222.db2.gz NZVRBJOXLMGYOW-UHFFFAOYSA-N 0 0 222.313 2.345 10 0 BEAERN Cc1nc([C@@H](C)Nc2cnn(C)c2)cs1 ZINC000036915609 180037431 /nfs/dbraw/zinc/03/74/31/180037431.db2.gz DYAPGSMGAQFANX-SSDOTTSWSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nc([C@@H](N)c2ccc(C)c(C)c2)no1 ZINC000037180333 180040005 /nfs/dbraw/zinc/04/00/05/180040005.db2.gz PEKCWRWFEKNUMC-NSHDSACASA-N 0 0 217.272 2.043 10 0 BEAERN Cc1nc([C@@H]2CC2(C)C)sc1CCO ZINC000083346767 180042725 /nfs/dbraw/zinc/04/27/25/180042725.db2.gz QZPMLNHNLXQAQJ-QMMMGPOBSA-N 0 0 211.330 2.500 10 0 BEAERN Cc1nc2c(C=O)cccn2c1Br ZINC000082328924 180064731 /nfs/dbraw/zinc/06/47/31/180064731.db2.gz UMERLIUUWNEKDQ-UHFFFAOYSA-N 0 0 239.072 2.218 10 0 BEAERN CC[C@@H](C)c1csc(CN2CCOCC2)n1 ZINC000132509110 191033352 /nfs/dbraw/zinc/03/33/52/191033352.db2.gz LKKUHHDBQCAEBE-SNVBAGLBSA-N 0 0 240.372 2.489 10 0 BEAERN Cc1nc2c(ccc3nc(N)sc32)n1C ZINC000045238011 180073098 /nfs/dbraw/zinc/07/30/98/180073098.db2.gz ICIUCPOFIZKYHM-UHFFFAOYSA-N 0 0 218.285 2.074 10 0 BEAERN Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000119821498 180078554 /nfs/dbraw/zinc/07/85/54/180078554.db2.gz XQVRCVZJNMQRGP-UHFFFAOYSA-N 0 0 228.173 2.250 10 0 BEAERN Cc1nc2cc(NCc3cnn(C)c3)ccc2o1 ZINC000020144169 180084388 /nfs/dbraw/zinc/08/43/88/180084388.db2.gz RRIYSNUQYDZPMM-UHFFFAOYSA-N 0 0 242.282 2.482 10 0 BEAERN COC(=N)c1cc(C(F)(F)F)nn1C(C)C ZINC000409443582 350137766 /nfs/dbraw/zinc/13/77/66/350137766.db2.gz PWCRWGGIGQJJCK-UHFFFAOYSA-N 0 0 235.209 2.455 10 0 BEAERN Cc1noc2nc(C3CCCC3)cc(NN)c12 ZINC000725256187 538055737 /nfs/dbraw/zinc/05/57/37/538055737.db2.gz WEBDIELAPBJVAC-UHFFFAOYSA-N 0 0 232.287 2.474 10 0 BEAERN Cc1nc2c(c(N[C@H]3C[C@H]3C)n1)CCCC2 ZINC000302041189 180070184 /nfs/dbraw/zinc/07/01/84/180070184.db2.gz IBEHOXVJPUNQPF-PELKAZGASA-N 0 0 217.316 2.484 10 0 BEAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccco1 ZINC000090226998 180110889 /nfs/dbraw/zinc/11/08/89/180110889.db2.gz IZARBMYDVIVBSV-ONGXEEELSA-N 0 0 246.314 2.365 10 0 BEAERN Cc1nc2ccccc2n1CCC(N)=S ZINC000019504604 180102875 /nfs/dbraw/zinc/10/28/75/180102875.db2.gz WZJBAXRLFNXKNJ-UHFFFAOYSA-N 0 0 219.313 2.021 10 0 BEAERN CC1(C)O[C@H]2C=CC=C(Br)[C@H]2O1 ZINC000036449386 350173099 /nfs/dbraw/zinc/17/30/99/350173099.db2.gz FFDDSLRXEIZBKR-JGVFFNPUSA-N 0 0 231.089 2.355 10 0 BEAERN CC(=O)Nc1ccc(C(=O)c2cccnc2)cc1 ZINC000036427552 350173484 /nfs/dbraw/zinc/17/34/84/350173484.db2.gz CHQLNSHKGXCMLR-UHFFFAOYSA-N 0 0 240.262 2.271 10 0 BEAERN Cc1nc[nH]c1CNc1ccc(F)cc1 ZINC000054793812 180121309 /nfs/dbraw/zinc/12/13/09/180121309.db2.gz LVHMAHWYGZBQKK-UHFFFAOYSA-N 0 0 205.236 2.469 10 0 BEAERN Cc1nc[nH]c1CNCc1ccccc1F ZINC000054793846 180122538 /nfs/dbraw/zinc/12/25/38/180122538.db2.gz BEQIUOXMNHULHG-UHFFFAOYSA-N 0 0 219.263 2.147 10 0 BEAERN Cc1cc(N(C)C)nc2ccc(C=O)cc12 ZINC000034320058 350169090 /nfs/dbraw/zinc/16/90/90/350169090.db2.gz RKMCAMVWGOVVMN-UHFFFAOYSA-N 0 0 214.268 2.422 10 0 BEAERN Cc1ncc(N)cc1C(=O)N[C@@H](C)c1ccco1 ZINC000038095149 180163854 /nfs/dbraw/zinc/16/38/54/180163854.db2.gz IHZGQZBOJAXTPA-VIFPVBQESA-N 0 0 245.282 2.056 10 0 BEAERN Cc1ncc(N)cc1C(=O)NCC1(C)CCCC1 ZINC000104432257 180164127 /nfs/dbraw/zinc/16/41/27/180164127.db2.gz JTZKTENONSLXEG-UHFFFAOYSA-N 0 0 247.342 2.282 10 0 BEAERN CC[NH+]=C1N[C@@H](c2ccccc2)CS1 ZINC000063001136 350200457 /nfs/dbraw/zinc/20/04/57/350200457.db2.gz JVYFJVOQSPQWIB-SNVBAGLBSA-N 0 0 206.314 2.440 10 0 BEAERN CC(C)N(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000121897607 191072103 /nfs/dbraw/zinc/07/21/03/191072103.db2.gz LBPPXCOVPXZFGC-LLVKDONJSA-N 0 0 234.299 2.170 10 0 BEAERN Cc1nc([C@H](C)NCc2ccnc(C)n2)cs1 ZINC000038037656 180190681 /nfs/dbraw/zinc/19/06/81/180190681.db2.gz ZFPQNERPYMKKED-QMMMGPOBSA-N 0 0 248.355 2.401 10 0 BEAERN Cc1nccc(CNOCc2ccccc2)n1 ZINC000083070363 180191432 /nfs/dbraw/zinc/19/14/32/180191432.db2.gz QIRRAQDWIRNJPK-UHFFFAOYSA-N 0 0 229.283 2.006 10 0 BEAERN Ic1nc2c(o1)CCCC2 ZINC000221420455 350209970 /nfs/dbraw/zinc/20/99/70/350209970.db2.gz XAVWFHAPAGWOBI-UHFFFAOYSA-N 0 0 249.051 2.158 10 0 BEAERN Cc1nccc(Oc2cccc(N)c2C)n1 ZINC000054936653 180206888 /nfs/dbraw/zinc/20/68/88/180206888.db2.gz DNMXNMZOQUQLPW-UHFFFAOYSA-N 0 0 215.256 2.468 10 0 BEAERN Cc1ncccc1C(=O)N[C@@H](C)C(C)C ZINC000108151324 180213772 /nfs/dbraw/zinc/21/37/72/180213772.db2.gz ZXDHPJVFESNPLO-VIFPVBQESA-N 0 0 206.289 2.164 10 0 BEAERN O[C@H](c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062778580 350226318 /nfs/dbraw/zinc/22/63/18/350226318.db2.gz WNVCTGMUFNJKIC-MRVPVSSYSA-N 0 0 214.677 2.206 10 0 BEAERN Cc1ncccc1N[C@H](C)c1ccnn1C ZINC000192252140 180228490 /nfs/dbraw/zinc/22/84/90/180228490.db2.gz QZJWVSJGGYSDLE-SNVBAGLBSA-N 0 0 216.288 2.297 10 0 BEAERN O=C(C=C(O)C1(Cl)CC1)C1CCC1 ZINC000725258343 538073590 /nfs/dbraw/zinc/07/35/90/538073590.db2.gz AUYBOHYLLOIEFV-UHFFFAOYSA-N 0 0 200.665 2.086 10 0 BEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)C[C@@H]1C ZINC000222223460 350232611 /nfs/dbraw/zinc/23/26/11/350232611.db2.gz CZEPTQMUBXWUEI-JFGNBEQYSA-N 0 0 213.321 2.264 10 0 BEAERN Cc1nc(N[C@H]2CCCC[C@H]2O)sc1C ZINC000083532881 350240211 /nfs/dbraw/zinc/24/02/11/350240211.db2.gz FAAODVNAXXLHCT-VHSXEESVSA-N 0 0 226.345 2.475 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCCc1ccccc1F ZINC000075982467 350248495 /nfs/dbraw/zinc/24/84/95/350248495.db2.gz HZHXOEPQLYWADD-CABZTGNLSA-N 0 0 236.290 2.076 10 0 BEAERN OC[C@@]1(c2ccc(F)c(F)c2)C[C@H](F)C1 ZINC000725260849 538084106 /nfs/dbraw/zinc/08/41/06/538084106.db2.gz XTKLOHBSXHPGKR-DKTWLAJQSA-N 0 0 216.202 2.327 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC[C@H](C)CC2 ZINC000252191278 538085379 /nfs/dbraw/zinc/08/53/79/538085379.db2.gz RRCDZFUMKDFJHC-DLOVCJGASA-N 0 0 212.289 2.287 10 0 BEAERN CCc1nsc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000083653130 350269013 /nfs/dbraw/zinc/26/90/13/350269013.db2.gz YPGJOTWKVKNQPA-JGVFFNPUSA-N 0 0 227.333 2.080 10 0 BEAERN Cc1nccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877596 180265372 /nfs/dbraw/zinc/26/53/72/180265372.db2.gz LVNOAXKQMCELDY-LBPRGKRZSA-N 0 0 214.268 2.195 10 0 BEAERN CCSc1nc2c(c(=O)[nH]1)[C@H](C)SC2 ZINC000223442951 350276781 /nfs/dbraw/zinc/27/67/81/350276781.db2.gz PZMPSMFQNROOBG-YFKPBYRVSA-N 0 0 228.342 2.190 10 0 BEAERN Cc1nccn1Cc1nccn1C(C)C ZINC000299612173 180270292 /nfs/dbraw/zinc/27/02/92/180270292.db2.gz OKEUPGGKNIHPGE-UHFFFAOYSA-N 0 0 204.277 2.017 10 0 BEAERN C[C@H](CO)[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000617857771 350278612 /nfs/dbraw/zinc/27/86/12/350278612.db2.gz PCFPBMXPNXGNAU-KPFVRQRISA-N 0 0 239.359 2.042 10 0 BEAERN CN(CC(F)(F)F)c1cccc(N)c1 ZINC000037663976 350286359 /nfs/dbraw/zinc/28/63/59/350286359.db2.gz AOMGDMVDXBEZGI-UHFFFAOYSA-N 0 0 204.195 2.267 10 0 BEAERN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(C)o1 ZINC000037979125 350297791 /nfs/dbraw/zinc/29/77/91/350297791.db2.gz JAZCIKYLRSBXIR-MWLCHTKSSA-N 0 0 238.331 2.153 10 0 BEAERN Nc1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053195 350300239 /nfs/dbraw/zinc/30/02/39/350300239.db2.gz MDAMUMQBVRTEBI-UHFFFAOYSA-N 0 0 211.627 2.247 10 0 BEAERN C[C@H]1CCCN1c1nsnc1Cl ZINC000037912436 350290532 /nfs/dbraw/zinc/29/05/32/350290532.db2.gz JXKYTTYUWINIBR-YFKPBYRVSA-N 0 0 203.698 2.180 10 0 BEAERN COC(=N)c1ccc(Br)o1 ZINC000037928055 350291887 /nfs/dbraw/zinc/29/18/87/350291887.db2.gz PLMGHILAFQSSAB-UHFFFAOYSA-N 0 0 204.023 2.014 10 0 BEAERN COC(=O)C(C)(C)Nc1cccc(C)c1 ZINC000037958069 350292525 /nfs/dbraw/zinc/29/25/25/350292525.db2.gz JZAKWCXPXACMFM-UHFFFAOYSA-N 0 0 207.273 2.359 10 0 BEAERN Cc1nc(-c2cccs2)[nH]c(=O)c1C ZINC000037947661 350292650 /nfs/dbraw/zinc/29/26/50/350292650.db2.gz BABREGRZJHVXIE-UHFFFAOYSA-N 0 0 206.270 2.115 10 0 BEAERN O=C(c1ccc2[nH]cnc2c1)N1C[C@@H]2CCC[C@@H]21 ZINC000606535727 350357371 /nfs/dbraw/zinc/35/73/71/350357371.db2.gz XPZZLYJSFYFFST-GWCFXTLKSA-N 0 0 241.294 2.187 10 0 BEAERN Cc1nn(-c2cc(=S)[nH]cn2)c2c1CCCC2 ZINC000057352299 180326521 /nfs/dbraw/zinc/32/65/21/180326521.db2.gz NOIIFRCAQGQOGH-UHFFFAOYSA-N 0 0 246.339 2.138 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)c1ccc(F)cc1 ZINC000075872162 180334287 /nfs/dbraw/zinc/33/42/87/180334287.db2.gz SIEBAEBNFMPEOD-UHFFFAOYSA-N 0 0 232.258 2.407 10 0 BEAERN CCOC(=O)c1cc(OC(C)C)ccc1N ZINC000041046241 350407850 /nfs/dbraw/zinc/40/78/50/350407850.db2.gz MGIAJCYGDTXPHV-UHFFFAOYSA-N 0 0 223.272 2.233 10 0 BEAERN Cc1nn(C)c(N(C)C2CCCCC2)c1C=O ZINC000034957015 180351958 /nfs/dbraw/zinc/35/19/58/180351958.db2.gz YOEPMENLGORNCH-UHFFFAOYSA-N 0 0 235.331 2.310 10 0 BEAERN Cc1nn(C)c(N)c1-c1ccccc1F ZINC000026511717 180352736 /nfs/dbraw/zinc/35/27/36/180352736.db2.gz XIJWLBRLWXSJKK-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN NCC(=O)c1cc(Cl)sc1Cl ZINC000082641205 187448730 /nfs/dbraw/zinc/44/87/30/187448730.db2.gz XQSBMIVIDTUARG-UHFFFAOYSA-N 0 0 210.085 2.196 10 0 BEAERN Cc1nn(C)c(N[C@@H](C)CC(C)C)c1N ZINC000036749335 180358247 /nfs/dbraw/zinc/35/82/47/180358247.db2.gz MTRKJESCJAYMIY-QMMMGPOBSA-N 0 0 210.325 2.157 10 0 BEAERN Cc1nn(C)c(O[C@H]2CCCC[C@H]2C)c1N ZINC000036749535 180361961 /nfs/dbraw/zinc/36/19/61/180361961.db2.gz NCIBNCXGXAGONU-SCZZXKLOSA-N 0 0 223.320 2.268 10 0 BEAERN CCCOc1nc(NN)c(Cl)cc1Cl ZINC000226654175 350446128 /nfs/dbraw/zinc/44/61/28/350446128.db2.gz FYMRSCICOFJBTP-UHFFFAOYSA-N 0 0 236.102 2.463 10 0 BEAERN Cc1nn(C)cc1C(=O)NC1CCC(C)(C)CC1 ZINC000128196877 180368349 /nfs/dbraw/zinc/36/83/49/180368349.db2.gz QNKMMPHTBOLHJN-UHFFFAOYSA-N 0 0 249.358 2.427 10 0 BEAERN O=C1CC(COc2cc(C(F)(F)F)ccn2)C1 ZINC000409434022 350473226 /nfs/dbraw/zinc/47/32/26/350473226.db2.gz VCMRGVJNZKCYCE-UHFFFAOYSA-N 0 0 245.200 2.458 10 0 BEAERN S=C1N=NC(c2ccncn2)N1C1CCCC1 ZINC000725265922 538093808 /nfs/dbraw/zinc/09/38/08/538093808.db2.gz YDHCXDYEZVMFDX-UHFFFAOYSA-N 0 0 247.327 2.139 10 0 BEAERN CC(C)Cn1cc(CO)c(-c2ccncc2)n1 ZINC000409437501 350481029 /nfs/dbraw/zinc/48/10/29/350481029.db2.gz HHTNZIATCWCQBU-UHFFFAOYSA-N 0 0 231.299 2.093 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CC[C@H](C)C2 ZINC000252583479 538094513 /nfs/dbraw/zinc/09/45/13/538094513.db2.gz XXGJCPZAQQQKHU-DLOVCJGASA-N 0 0 212.289 2.143 10 0 BEAERN Cc1nn([C@H]2CCCCC[C@H]2O)c(N)c1Cl ZINC000054600344 180393318 /nfs/dbraw/zinc/39/33/18/180393318.db2.gz UJEXQNDFIIQHNX-DTWKUNHWSA-N 0 0 243.738 2.293 10 0 BEAERN Cc1nn([C@H]2CCSC2)c(N)c1Cl ZINC000043667349 180393457 /nfs/dbraw/zinc/39/34/57/180393457.db2.gz VHRVKTHIMGVLLL-LURJTMIESA-N 0 0 217.725 2.105 10 0 BEAERN CCCOc1ccc2c(c1)OC[C@@H]2C(=O)OC ZINC000725266141 538093990 /nfs/dbraw/zinc/09/39/90/538093990.db2.gz PLXWFAOPSTYBJI-NSHDSACASA-N 0 0 236.267 2.124 10 0 BEAERN CCOC(=O)c1cc2cc(C)cc(N)c2[nH]1 ZINC000060032633 350496774 /nfs/dbraw/zinc/49/67/74/350496774.db2.gz WIOWCBNYMKSOKA-UHFFFAOYSA-N 0 0 218.256 2.235 10 0 BEAERN CC1(C)C[C@H]1C(=O)NCc1cccc(O)c1 ZINC000133912205 191107664 /nfs/dbraw/zinc/10/76/64/191107664.db2.gz JBNIXEHNLIHEGA-NSHDSACASA-N 0 0 219.284 2.055 10 0 BEAERN CC[C@@H](SCCO)C(=O)c1ccccc1 ZINC000037352900 362966975 /nfs/dbraw/zinc/96/69/75/362966975.db2.gz YNCXOEGVXRIENA-LLVKDONJSA-N 0 0 224.325 2.373 10 0 BEAERN C[C@@H]1CC[C@H](C)[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 ZINC000222223990 350561693 /nfs/dbraw/zinc/56/16/93/350561693.db2.gz HMKWALUGEGJMAL-VDDIYKPWSA-N 0 0 211.305 2.018 10 0 BEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)[C@@H]1C ZINC000222223684 350561891 /nfs/dbraw/zinc/56/18/91/350561891.db2.gz HOYCKZJFEHPZOY-JFGNBEQYSA-N 0 0 213.321 2.264 10 0 BEAERN COC(=O)c1cc(F)cc(C(F)(F)F)c1N ZINC000062996671 350564913 /nfs/dbraw/zinc/56/49/13/350564913.db2.gz OMBIMRFPAJAFBQ-UHFFFAOYSA-N 0 0 237.152 2.213 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H]1CCC[C@H](C)C1 ZINC000725266627 538096493 /nfs/dbraw/zinc/09/64/93/538096493.db2.gz WHPPJVBXNCANHM-DTWKUNHWSA-N 0 0 237.303 2.275 10 0 BEAERN Cc1c[nH]cc1-c1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266391 538096159 /nfs/dbraw/zinc/09/61/59/538096159.db2.gz SHYCPPILIZGKNW-UHFFFAOYSA-N 0 0 248.286 2.064 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1C1CCCC1 ZINC000725266590 538096207 /nfs/dbraw/zinc/09/62/07/538096207.db2.gz SCRCONXKENZROV-UHFFFAOYSA-N 0 0 237.303 2.418 10 0 BEAERN CCCc1ncc(Br)cc1N ZINC000231245105 350616275 /nfs/dbraw/zinc/61/62/75/350616275.db2.gz PMOHVPNVTUYTIO-UHFFFAOYSA-N 0 0 215.094 2.379 10 0 BEAERN Cc1nnc([C@H](C)NC(=O)OC(C)C)s1 ZINC000295231486 180445129 /nfs/dbraw/zinc/44/51/29/180445129.db2.gz ZCLJCYJFQATGTA-LURJTMIESA-N 0 0 229.305 2.042 10 0 BEAERN C[C@H]1CCCC[C@@H]1Oc1cc(C(N)=O)ccc1N ZINC000103954673 187459929 /nfs/dbraw/zinc/45/99/29/187459929.db2.gz VIRNMTOUPGFUCY-CABZTGNLSA-N 0 0 248.326 2.325 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1c1ncccn1 ZINC000616597053 350636468 /nfs/dbraw/zinc/63/64/68/350636468.db2.gz LSGOJYCUUKMOSJ-NSHDSACASA-N 0 0 235.331 2.039 10 0 BEAERN CC1(C)CC[C@@H](c2nn[nH]n2)c2ccccc21 ZINC000095231381 350656554 /nfs/dbraw/zinc/65/65/54/350656554.db2.gz CIOVHYYMDHXXBB-SNVBAGLBSA-N 0 0 228.299 2.403 10 0 BEAERN Cc1ccccc1[C@H](c1nn[nH]n1)C(C)C ZINC000095344060 350658451 /nfs/dbraw/zinc/65/84/51/350658451.db2.gz XGKQZJFJSHATKU-LLVKDONJSA-N 0 0 216.288 2.296 10 0 BEAERN Cc1noc(CNc2ccc(Cl)cn2)n1 ZINC000038035132 180489572 /nfs/dbraw/zinc/48/95/72/180489572.db2.gz KLQCIWZROQTOAO-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN OC[C@@H](CCNc1ccccc1)[C@H]1CCOC1 ZINC000725267726 538099115 /nfs/dbraw/zinc/09/91/15/538099115.db2.gz UMFMJITWHCQFFX-OLZOCXBDSA-N 0 0 235.327 2.134 10 0 BEAERN COc1cccc2cc(O)c([C@@H]3CCOC3)nc21 ZINC000725267733 538098790 /nfs/dbraw/zinc/09/87/90/538098790.db2.gz UQXMBNPMQBSKQJ-SNVBAGLBSA-N 0 0 245.278 2.453 10 0 BEAERN CC(C)Cc1nsc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000302366058 191119606 /nfs/dbraw/zinc/11/96/06/191119606.db2.gz GANRSQDZVOYIIS-RKDXNWHRSA-N 0 0 241.360 2.326 10 0 BEAERN CC(C)Cc1nsc(N[C@H]2CCO[C@H]2C)n1 ZINC000302366049 191119118 /nfs/dbraw/zinc/11/91/18/191119118.db2.gz GANRSQDZVOYIIS-IUCAKERBSA-N 0 0 241.360 2.326 10 0 BEAERN CC(C)OC(=O)N1CCCO[C@@H](C(C)C)C1 ZINC000393514618 350747190 /nfs/dbraw/zinc/74/71/90/350747190.db2.gz KKDPBWNNMLDWEP-LLVKDONJSA-N 0 0 229.320 2.278 10 0 BEAERN O=c1ccc(-c2csc(Cl)c2)n[nH]1 ZINC000236073146 350728728 /nfs/dbraw/zinc/72/87/28/350728728.db2.gz JPYAPBRVFRRUPZ-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN O=C(CC1OCCO1)c1ccc2ncccc2c1 ZINC000236395735 350736089 /nfs/dbraw/zinc/73/60/89/350736089.db2.gz URTYDXBVLARIFD-UHFFFAOYSA-N 0 0 243.262 2.181 10 0 BEAERN CC1CN(c2cc(N)ccc2Br)C1 ZINC000159497066 350776652 /nfs/dbraw/zinc/77/66/52/350776652.db2.gz LTRZVRIFUMDDLY-UHFFFAOYSA-N 0 0 241.132 2.487 10 0 BEAERN NC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000616601008 350781633 /nfs/dbraw/zinc/78/16/33/350781633.db2.gz GDDNSSSXEAXEOY-NSHDSACASA-N 0 0 236.290 2.474 10 0 BEAERN CCc1ccc(C(=O)c2cncnc2)s1 ZINC000167925650 350786719 /nfs/dbraw/zinc/78/67/19/350786719.db2.gz AFRWUFKETMAIBK-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN CCN1CCOC[C@@H]1c1ccccc1NC(C)=O ZINC000616602916 350789169 /nfs/dbraw/zinc/78/91/69/350789169.db2.gz WHOBZOKLKLUZRL-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CCN1CCOC[C@@H]1c1cccc2nnccc21 ZINC000616601941 350790056 /nfs/dbraw/zinc/79/00/56/350790056.db2.gz QLNBANKIFZAGEA-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN CN1CCO[C@@H](c2cccc3ccncc32)C1 ZINC000616602408 350791583 /nfs/dbraw/zinc/79/15/83/350791583.db2.gz JNLPPWMKPHZKDP-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1cccnc1 ZINC000616604347 350793190 /nfs/dbraw/zinc/79/31/90/350793190.db2.gz CFZOYMAOWNCQIZ-LLVKDONJSA-N 0 0 219.288 2.077 10 0 BEAERN CNc1ccccc1[C@@H]1CCCCN(C(N)=O)C1 ZINC000616605240 350794227 /nfs/dbraw/zinc/79/42/27/350794227.db2.gz LLGUNNGDUDIPKC-LLVKDONJSA-N 0 0 247.342 2.377 10 0 BEAERN O=C([O-])c1cccc([C@@H]2CCCC[NH2+]C2)c1 ZINC000616605774 350794967 /nfs/dbraw/zinc/79/49/67/350794967.db2.gz QXRJFUAWFXJNQX-GFCCVEGCSA-N 0 0 219.284 2.242 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2ccccc2N)C1 ZINC000616605869 350795769 /nfs/dbraw/zinc/79/57/69/350795769.db2.gz XVFNHJRPQOESAE-GFCCVEGCSA-N 0 0 232.327 2.385 10 0 BEAERN CCOC(=O)N1CCC[C@H]1OC(F)(F)F ZINC000616606777 350798034 /nfs/dbraw/zinc/79/80/34/350798034.db2.gz JDXIFRAVFILQRU-ZCFIWIBFSA-N 0 0 227.182 2.101 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1cccc(CCO)c1 ZINC000616607266 350800025 /nfs/dbraw/zinc/80/00/25/350800025.db2.gz NOBBQHHYLVTZIZ-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN c1n[nH]nc1[C@@H]1CCCN1Cc1ccccc1 ZINC000616607221 350800262 /nfs/dbraw/zinc/80/02/62/350800262.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 0 0 228.299 2.142 10 0 BEAERN CNc1cccc([C@@H]2CCCN2C(C)=O)c1 ZINC000616609688 350803422 /nfs/dbraw/zinc/80/34/22/350803422.db2.gz HMWCTJWQBKIPJK-ZDUSSCGKSA-N 0 0 218.300 2.412 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1cnoc1 ZINC000616611561 350809346 /nfs/dbraw/zinc/80/93/46/350809346.db2.gz DNVPMZPAPYNBCH-SNVBAGLBSA-N 0 0 224.260 2.358 10 0 BEAERN NC(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000616614395 350832601 /nfs/dbraw/zinc/83/26/01/350832601.db2.gz DUNAUTQIJXDMCM-LLVKDONJSA-N 0 0 222.263 2.431 10 0 BEAERN O=C1OC[C@H](SCc2ccco2)O1 ZINC000306678003 350833245 /nfs/dbraw/zinc/83/32/45/350833245.db2.gz AIQCUTSLNHBNAN-ZETCQYMHSA-N 0 0 200.215 2.006 10 0 BEAERN Cc1csc([C@@H](O)Cc2cncs2)n1 ZINC000159519087 350837336 /nfs/dbraw/zinc/83/73/36/350837336.db2.gz WKNDNFDXGVYNCB-QMMMGPOBSA-N 0 0 226.326 2.184 10 0 BEAERN CN[C@@H](c1cscn1)c1cc(C)ns1 ZINC000306682179 350837979 /nfs/dbraw/zinc/83/79/79/350837979.db2.gz QKIDUBXCBXZAOO-VIFPVBQESA-N 0 0 225.342 2.217 10 0 BEAERN CC[S@](C)(=O)=Nc1ccc(N)c(C)c1 ZINC000306682966 350839450 /nfs/dbraw/zinc/83/94/50/350839450.db2.gz UBYDPZUIAWPBOX-AWEZNQCLSA-N 0 0 212.318 2.326 10 0 BEAERN CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1F ZINC000616614976 350844217 /nfs/dbraw/zinc/84/42/17/350844217.db2.gz NYEKOOFCZFCHPQ-SNVBAGLBSA-N 0 0 246.326 2.293 10 0 BEAERN CC(C)(F)C1N=NC(=S)N1C1CC1 ZINC000306690778 350845415 /nfs/dbraw/zinc/84/54/15/350845415.db2.gz MXCOJYJJIKAZHE-UHFFFAOYSA-N 0 0 201.270 2.106 10 0 BEAERN COc1ccc2c(c1)N[C@@H](CC1CC1)[C@@H](O)C2 ZINC000725267985 538099665 /nfs/dbraw/zinc/09/96/65/538099665.db2.gz DSEXDWFWADAOSH-KBPBESRZSA-N 0 0 233.311 2.193 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ccno1 ZINC000616615517 350847477 /nfs/dbraw/zinc/84/74/77/350847477.db2.gz OVCGTITWYNLVGD-VIFPVBQESA-N 0 0 224.260 2.358 10 0 BEAERN NC(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000616615643 350848768 /nfs/dbraw/zinc/84/87/68/350848768.db2.gz DUNAUTQIJXDMCM-NSHDSACASA-N 0 0 222.263 2.431 10 0 BEAERN C/C=C/C[S@@](=O)Cc1nccn1C(C)C ZINC000176837998 191125509 /nfs/dbraw/zinc/12/55/09/191125509.db2.gz UJTFJCXZGJFSST-MBVDDHJVSA-N 0 0 226.345 2.289 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cccnn1 ZINC000616616056 350853219 /nfs/dbraw/zinc/85/32/19/350853219.db2.gz YNMJTQIEPHEGLY-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN COc1nc(-c2ccc(C=O)o2)cs1 ZINC000306706581 350854040 /nfs/dbraw/zinc/85/40/40/350854040.db2.gz LVHYJXKXIUIPLR-UHFFFAOYSA-N 0 0 209.226 2.224 10 0 BEAERN COC(=O)N1CCCC[C@H]1c1ccncc1 ZINC000616616901 350858340 /nfs/dbraw/zinc/85/83/40/350858340.db2.gz XHDWMXDUTZRMGG-NSHDSACASA-N 0 0 220.272 2.375 10 0 BEAERN C[C@@H]1SCCC[C@]1(O)Cc1ccco1 ZINC000130487371 362986272 /nfs/dbraw/zinc/98/62/72/362986272.db2.gz OTSABABOMXVKRI-ONGXEEELSA-N 0 0 212.314 2.469 10 0 BEAERN COc1ccncc1C(=O)[C@H]1CC1(C)C ZINC000306734815 350903772 /nfs/dbraw/zinc/90/37/72/350903772.db2.gz VGZSIUCBJMWEGZ-SECBINFHSA-N 0 0 205.257 2.319 10 0 BEAERN CCn1nccc1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253194085 350919482 /nfs/dbraw/zinc/91/94/82/350919482.db2.gz PMFUKNOHPMQUIT-JZYVYDRUSA-N 0 0 204.273 2.132 10 0 BEAERN OCc1ccc(S[C@@H]2CCOC2)cc1 ZINC000159597915 350921032 /nfs/dbraw/zinc/92/10/32/350921032.db2.gz HKIHUHGUVOLYIU-LLVKDONJSA-N 0 0 210.298 2.060 10 0 BEAERN CCOC(=O)N1CCC(c2ccncc2)CC1 ZINC000616619359 350926467 /nfs/dbraw/zinc/92/64/67/350926467.db2.gz KWEPHMAJOYRYOK-UHFFFAOYSA-N 0 0 234.299 2.418 10 0 BEAERN CNc1ccc(C2CCN(C(C)=O)CC2)cc1 ZINC000616619387 350926545 /nfs/dbraw/zinc/92/65/45/350926545.db2.gz GZVGFJJWBDUATB-UHFFFAOYSA-N 0 0 232.327 2.454 10 0 BEAERN NC(=O)N1CCC[C@@H](c2cccc(F)c2)C1 ZINC000616620064 350931683 /nfs/dbraw/zinc/93/16/83/350931683.db2.gz NIXBNUMLJRACJV-SNVBAGLBSA-N 0 0 222.263 2.084 10 0 BEAERN COC(=O)N1CCC(c2ccccc2N)CC1 ZINC000616620505 350941358 /nfs/dbraw/zinc/94/13/58/350941358.db2.gz BNEBXPZZDSVIMW-UHFFFAOYSA-N 0 0 234.299 2.215 10 0 BEAERN C[C@H](NC1=NC[C@H](C)S1)C(F)(F)F ZINC000306746359 350934858 /nfs/dbraw/zinc/93/48/58/350934858.db2.gz IVHKGSVXYZQHKS-WHFBIAKZSA-N 0 0 212.240 2.018 10 0 BEAERN Nc1nc(N2CCC2)c(Cl)cc1Cl ZINC000306715722 350875220 /nfs/dbraw/zinc/87/52/20/350875220.db2.gz APFHFKYUZCYJPD-UHFFFAOYSA-N 0 0 218.087 2.181 10 0 BEAERN C[N@H+]([C@@H]1CC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000250442900 350881375 /nfs/dbraw/zinc/88/13/75/350881375.db2.gz UEXVRFMGMKOWTM-GHMZBOCLSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@H]([N@@H+]1CCCC[C@H]1C(=O)[O-])C1(C)CC1 ZINC000251469812 350897355 /nfs/dbraw/zinc/89/73/55/350897355.db2.gz DMFCBBKQDCFCMK-UWVGGRQHSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1nc(C)c(-c2nnc(Cl)s2)o1 ZINC000159680423 350963310 /nfs/dbraw/zinc/96/33/10/350963310.db2.gz BCMAZDNIYYDLIZ-UHFFFAOYSA-N 0 0 215.665 2.463 10 0 BEAERN Clc1cc(NC[C@@H]2CCOC2)nc(Cl)n1 ZINC000306771545 351007893 /nfs/dbraw/zinc/00/78/93/351007893.db2.gz CMBIUGTVYANLJR-LURJTMIESA-N 0 0 248.113 2.232 10 0 BEAERN Nc1c(Cl)nsc1Br ZINC000001023644 350986765 /nfs/dbraw/zinc/98/67/65/350986765.db2.gz LRGBOXXQEWEHDZ-UHFFFAOYSA-N 0 0 213.487 2.141 10 0 BEAERN C[C@H](NC(=O)n1ccnc1)C1CCCCC1 ZINC000052341858 350988319 /nfs/dbraw/zinc/98/83/19/350988319.db2.gz VNFRBLVYNFNXLE-JTQLQIEISA-N 0 0 221.304 2.410 10 0 BEAERN CC[C@H](NC(N)=S)C1CCCCC1 ZINC000052341097 350988487 /nfs/dbraw/zinc/98/84/87/350988487.db2.gz KVAMPMSBEGYJTO-VIFPVBQESA-N 0 0 200.351 2.179 10 0 BEAERN C[C@@H]1CCC[C@@](O)(c2cnc(N)s2)C1 ZINC000159792213 350997470 /nfs/dbraw/zinc/99/74/70/350997470.db2.gz WQFPLGSKUUCNLC-XCBNKYQSSA-N 0 0 212.318 2.123 10 0 BEAERN Nc1ncc([C@H](O)[C@H]2CC=CCC2)s1 ZINC000159823686 351009660 /nfs/dbraw/zinc/00/96/60/351009660.db2.gz SAMMIMSJDBKDPR-IONNQARKSA-N 0 0 210.302 2.115 10 0 BEAERN Nc1n[nH]c(SC2CCCCCC2)n1 ZINC000129164171 351002616 /nfs/dbraw/zinc/00/26/16/351002616.db2.gz RSFWKPMKEPFUQQ-UHFFFAOYSA-N 0 0 212.322 2.202 10 0 BEAERN C[C@](O)(c1cccs1)c1cnc(N)s1 ZINC000159803270 351003559 /nfs/dbraw/zinc/00/35/59/351003559.db2.gz FLMLAWKDMSQNQN-VIFPVBQESA-N 0 0 226.326 2.043 10 0 BEAERN CCOc1ccc2nc(CC)c(NN)cc2c1 ZINC000725268100 538099769 /nfs/dbraw/zinc/09/97/69/538099769.db2.gz JXSDJPAARXIJQK-UHFFFAOYSA-N 0 0 231.299 2.482 10 0 BEAERN Cc1cc(Br)cc2c1OCC2=O ZINC000063061382 350948595 /nfs/dbraw/zinc/94/85/95/350948595.db2.gz JYAVCPBMCTXGEG-UHFFFAOYSA-N 0 0 227.057 2.333 10 0 BEAERN CN(C)c1ccc(C(=O)c2cccnc2)cc1 ZINC000128975715 350950648 /nfs/dbraw/zinc/95/06/48/350950648.db2.gz UPVFEKUUOIGBAT-UHFFFAOYSA-N 0 0 226.279 2.379 10 0 BEAERN Cc1cc(F)ccc1O[C@H](C)C(N)=S ZINC000129244201 351015746 /nfs/dbraw/zinc/01/57/46/351015746.db2.gz HMRQZWXWBLTVTQ-SSDOTTSWSA-N 0 0 213.277 2.188 10 0 BEAERN CC(=O)c1nc(C(C)(C)N(C)C)sc1C ZINC000306774905 351016043 /nfs/dbraw/zinc/01/60/43/351016043.db2.gz WDZZOLFRKVXPNM-UHFFFAOYSA-N 0 0 226.345 2.451 10 0 BEAERN CNc1nc(Cl)nc2cc(OC)ccc21 ZINC000129306152 351038371 /nfs/dbraw/zinc/03/83/71/351038371.db2.gz CGTLTLFBWYISBB-UHFFFAOYSA-N 0 0 223.663 2.334 10 0 BEAERN Cc1nc2oc3ccc(F)cc3c(=O)c2[nH]1 ZINC000382740835 351042109 /nfs/dbraw/zinc/04/21/09/351042109.db2.gz LVBSUWGZMVCAMM-UHFFFAOYSA-N 0 0 218.187 2.117 10 0 BEAERN Cc1ccc(Br)cc1N[S@](C)=O ZINC000306793975 351042754 /nfs/dbraw/zinc/04/27/54/351042754.db2.gz FMEZJTXBNYZGHD-LBPRGKRZSA-N 0 0 248.145 2.463 10 0 BEAERN C[C@@H]1CC[C@@H](N[S@](=O)C2CCCC2)C1 ZINC000306806295 351058560 /nfs/dbraw/zinc/05/85/60/351058560.db2.gz JGCFUDNAAFFLKC-GPCCPHFNSA-N 0 0 215.362 2.371 10 0 BEAERN COc1cnc([C@@H]2CC[C@H](C)O2)nc1Cl ZINC000306807069 351059508 /nfs/dbraw/zinc/05/95/08/351059508.db2.gz LMPCGJKBHXPJBK-BQBZGAKWSA-N 0 0 228.679 2.379 10 0 BEAERN CCC[S@@](=O)Nc1cccc(N)c1C ZINC000306808508 351061253 /nfs/dbraw/zinc/06/12/53/351061253.db2.gz PGDOYNXMJBENDF-CQSZACIVSA-N 0 0 212.318 2.063 10 0 BEAERN Nc1nc(Cl)nc(-c2csc(Cl)c2)n1 ZINC000306808607 351061371 /nfs/dbraw/zinc/06/13/71/351061371.db2.gz POTXTTBEOHYBLT-UHFFFAOYSA-N 0 0 247.110 2.489 10 0 BEAERN Clc1nc(C2CCSCC2)no1 ZINC000402157306 362994096 /nfs/dbraw/zinc/99/40/96/362994096.db2.gz RADPULIQZCUNQG-UHFFFAOYSA-N 0 0 204.682 2.334 10 0 BEAERN Cn1ccnc1-c1csc(Br)n1 ZINC000306771156 351012990 /nfs/dbraw/zinc/01/29/90/351012990.db2.gz CEKCSVDOYXBRCJ-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN Cc1sc(C(=O)Nc2ccccn2)cc1N ZINC000040292404 180557194 /nfs/dbraw/zinc/55/71/94/180557194.db2.gz FATKXRFEEXIFOW-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN CC(C)(C)[C@@H]1CCCCN(S(C)(=O)=O)C1 ZINC000616630614 351103616 /nfs/dbraw/zinc/10/36/16/351103616.db2.gz OKCUWJXTRFXDJY-SNVBAGLBSA-N 0 0 233.377 2.094 10 0 BEAERN COC(=O)N1CCC[C@@H](c2cocn2)CC1 ZINC000616631140 351104682 /nfs/dbraw/zinc/10/46/82/351104682.db2.gz SFUCYXZRWUDIDT-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN CC(=O)Nc1ccc([C@@H]2CCCN2C(C)=O)cc1 ZINC000616633646 351116235 /nfs/dbraw/zinc/11/62/35/351116235.db2.gz QLPNPDINIDFFPZ-AWEZNQCLSA-N 0 0 246.310 2.328 10 0 BEAERN Cc1cocc1[C@H](O)[C@H]1CSCCS1 ZINC000306811166 351078018 /nfs/dbraw/zinc/07/80/18/351078018.db2.gz WDDIIIYYJDJHIL-ZJUUUORDSA-N 0 0 230.354 2.470 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1c1conn1 ZINC000616622369 351085978 /nfs/dbraw/zinc/08/59/78/351085978.db2.gz AREVBUSAAOSZLB-SNVBAGLBSA-N 0 0 239.275 2.143 10 0 BEAERN NC(=O)N1CCCCC[C@@H]1c1ccccc1N ZINC000616622958 351087681 /nfs/dbraw/zinc/08/76/81/351087681.db2.gz APDWRZWADXZQLS-GFCCVEGCSA-N 0 0 233.315 2.265 10 0 BEAERN Cc1ccc(I)nc1F ZINC000306820536 351087688 /nfs/dbraw/zinc/08/76/88/351087688.db2.gz MYTXHEASDFJVAE-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616623086 351088703 /nfs/dbraw/zinc/08/87/03/351088703.db2.gz VMGHIUKFPYKHLC-LLVKDONJSA-N 0 0 249.314 2.178 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616624025 351091229 /nfs/dbraw/zinc/09/12/29/351091229.db2.gz RMUQHZCFWLLEDH-ZDUSSCGKSA-N 0 0 248.326 2.175 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1c1cn[nH]c1 ZINC000616624329 351091806 /nfs/dbraw/zinc/09/18/06/351091806.db2.gz YGABSZNLIJDSPS-LLVKDONJSA-N 0 0 237.303 2.483 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1c1cnco1 ZINC000616625354 351093852 /nfs/dbraw/zinc/09/38/52/351093852.db2.gz ZOABNGBQXFMHCK-SNVBAGLBSA-N 0 0 208.261 2.138 10 0 BEAERN CNc1ccccc1[C@H]1CCCCN(C(N)=O)C1 ZINC000616627584 351095402 /nfs/dbraw/zinc/09/54/02/351095402.db2.gz LLGUNNGDUDIPKC-NSHDSACASA-N 0 0 247.342 2.377 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ccno2)CC1 ZINC000616627581 351095615 /nfs/dbraw/zinc/09/56/15/351095615.db2.gz HWQQNMDFAHBZES-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCC[C@H](n2ccnc2)CC1 ZINC000616627663 351095706 /nfs/dbraw/zinc/09/57/06/351095706.db2.gz KGFKUZUZIYDNDX-NSHDSACASA-N 0 0 237.303 2.067 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2ncco2)CC1 ZINC000616628779 351099172 /nfs/dbraw/zinc/09/91/72/351099172.db2.gz OTIMAEXTIHLAAA-JTQLQIEISA-N 0 0 238.287 2.401 10 0 BEAERN CC(=O)N1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616629140 351100159 /nfs/dbraw/zinc/10/01/59/351100159.db2.gz SFZXLOKHNWYUAV-CQSZACIVSA-N 0 0 247.338 2.295 10 0 BEAERN Cc1cnn(-c2ccncc2Br)c1 ZINC000159968910 351146035 /nfs/dbraw/zinc/14/60/35/351146035.db2.gz RNRVGWQPUPGWCL-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN c1cc([C@H]2COCCN2Cc2ccccc2)on1 ZINC000616640456 351146111 /nfs/dbraw/zinc/14/61/11/351146111.db2.gz SDGMVTMCHHRUAK-CYBMUJFWSA-N 0 0 244.294 2.248 10 0 BEAERN CCN1CCOC[C@H]1c1ccccc1F ZINC000616641132 351147301 /nfs/dbraw/zinc/14/73/01/351147301.db2.gz AUEWXUDNQOXBAX-LBPRGKRZSA-N 0 0 209.264 2.219 10 0 BEAERN COc1ccc([C@@H]2COCCN2C(C)C)cc1 ZINC000616641515 351148698 /nfs/dbraw/zinc/14/86/98/351148698.db2.gz HEFQIRKAJZAWIH-AWEZNQCLSA-N 0 0 235.327 2.477 10 0 BEAERN CN1CCOC[C@H]1c1ccc2ccncc2c1 ZINC000616642179 351154017 /nfs/dbraw/zinc/15/40/17/351154017.db2.gz YJHAVXMPTFKKQE-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN c1nc([C@@H]2CN(Cc3ccccc3)CCO2)co1 ZINC000616642865 351154352 /nfs/dbraw/zinc/15/43/52/351154352.db2.gz LXCPBEWQRSWTPJ-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN CN1CCO[C@H](c2ccc3ccncc3c2)C1 ZINC000616643168 351155140 /nfs/dbraw/zinc/15/51/40/351155140.db2.gz DEDHWPPJFQARIU-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN FC(F)(F)CCNc1cc(Cl)ncn1 ZINC000063101906 351166811 /nfs/dbraw/zinc/16/68/11/351166811.db2.gz NNGQIBYUCLPVJM-UHFFFAOYSA-N 0 0 225.601 2.494 10 0 BEAERN COc1ccccc1[C@H]1COCCCN1C(C)=O ZINC000616647544 351174124 /nfs/dbraw/zinc/17/41/24/351174124.db2.gz GOUKDDHRUIJTAR-CYBMUJFWSA-N 0 0 249.310 2.005 10 0 BEAERN O=C1C[C@@H](OCC(F)F)C12CCCC2 ZINC000131063840 351177772 /nfs/dbraw/zinc/17/77/72/351177772.db2.gz AKOWAMUYGOUXFD-MRVPVSSYSA-N 0 0 204.216 2.170 10 0 BEAERN COc1cccc([C@@H]2COCCCN2C(C)=O)c1 ZINC000616649781 351179625 /nfs/dbraw/zinc/17/96/25/351179625.db2.gz YPZOVJLXJXTPFJ-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN C[N@@H+]1CCCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616651210 351182123 /nfs/dbraw/zinc/18/21/23/351182123.db2.gz BNVNJJHPYCHIGU-CYBMUJFWSA-N 0 0 243.310 2.023 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cccnn2)C1 ZINC000616652813 351186774 /nfs/dbraw/zinc/18/67/74/351186774.db2.gz HAHIVJZESQSIPP-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN COc1ccc([C@H]2COCCN2C(C)C)cc1 ZINC000616636873 351128659 /nfs/dbraw/zinc/12/86/59/351128659.db2.gz HEFQIRKAJZAWIH-CQSZACIVSA-N 0 0 235.327 2.477 10 0 BEAERN COCC(=O)CSCc1ccccc1C ZINC000231698631 351142008 /nfs/dbraw/zinc/14/20/08/351142008.db2.gz HMVCYFYTXAIABG-UHFFFAOYSA-N 0 0 224.325 2.444 10 0 BEAERN c1cc([C@@H]2COCCN2Cc2ccccc2)on1 ZINC000616639698 351143181 /nfs/dbraw/zinc/14/31/81/351143181.db2.gz SDGMVTMCHHRUAK-ZDUSSCGKSA-N 0 0 244.294 2.248 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1c1ccno1 ZINC000616669796 351229748 /nfs/dbraw/zinc/22/97/48/351229748.db2.gz WRFWVUJDVOQYON-LLVKDONJSA-N 0 0 243.266 2.247 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@@H]1c1cnno1 ZINC000616668393 351230480 /nfs/dbraw/zinc/23/04/80/351230480.db2.gz KHADFEVFZDGGCI-GFCCVEGCSA-N 0 0 243.266 2.110 10 0 BEAERN c1nc([C@H]2CNc3ccccc3C2)co1 ZINC000616670679 351231200 /nfs/dbraw/zinc/23/12/00/351231200.db2.gz QDPZYTOROVSPCY-SNVBAGLBSA-N 0 0 200.241 2.426 10 0 BEAERN c1onnc1[C@H]1CCc2ccccc2N1 ZINC000616670673 351231241 /nfs/dbraw/zinc/23/12/41/351231241.db2.gz YQXUHZRKKGRVCB-SNVBAGLBSA-N 0 0 201.229 2.169 10 0 BEAERN CN1C[C@H](c2cc[nH]n2)Cc2ccccc21 ZINC000616670807 351231343 /nfs/dbraw/zinc/23/13/43/351231343.db2.gz QDBNRTCIEZCUKB-LLVKDONJSA-N 0 0 213.284 2.186 10 0 BEAERN CCOC(=O)N1C[C@@H](CCO)Cc2ccccc21 ZINC000616670471 351233724 /nfs/dbraw/zinc/23/37/24/351233724.db2.gz GSOQKKMETRCBMK-NSHDSACASA-N 0 0 249.310 2.204 10 0 BEAERN COC(=O)c1cc2cc(OC)ccc2cc1O ZINC000034117477 351234104 /nfs/dbraw/zinc/23/41/04/351234104.db2.gz ABBNLGWTQMCEIE-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN CN1c2ccccc2CC[C@H]1c1conn1 ZINC000616672018 351235116 /nfs/dbraw/zinc/23/51/16/351235116.db2.gz ZMFGYGSIGALVJW-LBPRGKRZSA-N 0 0 215.256 2.193 10 0 BEAERN CCN1CC[C@@H](NC(C)=O)c2ccccc21 ZINC000616672063 351235269 /nfs/dbraw/zinc/23/52/69/351235269.db2.gz KQGIONTVTFQOID-GFCCVEGCSA-N 0 0 218.300 2.094 10 0 BEAERN CN1CC[C@@H](c2ncccn2)c2ccccc21 ZINC000616671814 351236877 /nfs/dbraw/zinc/23/68/77/351236877.db2.gz HSNDJZDACKOZKP-GFCCVEGCSA-N 0 0 225.295 2.448 10 0 BEAERN CCOC(=O)N1CC[C@H](CO)c2ccccc21 ZINC000616674477 351238784 /nfs/dbraw/zinc/23/87/84/351238784.db2.gz HQEBHZAOLRXJGT-SNVBAGLBSA-N 0 0 235.283 2.129 10 0 BEAERN CC(C)[C@H]1Cc2ccccc2N(CCO)C1 ZINC000616674236 351238862 /nfs/dbraw/zinc/23/88/62/351238862.db2.gz XOJQGRXEUONMLN-ZDUSSCGKSA-N 0 0 219.328 2.314 10 0 BEAERN CCOC(=O)N1C[C@@H](C(C)=O)Cc2ccccc21 ZINC000616672531 351239340 /nfs/dbraw/zinc/23/93/40/351239340.db2.gz WOQKHCNZPCIURE-LBPRGKRZSA-N 0 0 247.294 2.411 10 0 BEAERN CCN1CC[C@H](S(C)(=O)=O)c2ccccc21 ZINC000616676967 351241462 /nfs/dbraw/zinc/24/14/62/351241462.db2.gz ZDFXNALHJUBNSK-LBPRGKRZSA-N 0 0 239.340 2.002 10 0 BEAERN NC(=O)N1CC[C@H](c2ncco2)c2ccccc21 ZINC000616676658 351241527 /nfs/dbraw/zinc/24/15/27/351241527.db2.gz XDRYGDBQVNXVEV-JTQLQIEISA-N 0 0 243.266 2.095 10 0 BEAERN CN1CC[C@H](c2cccnn2)c2ccccc21 ZINC000616676974 351241804 /nfs/dbraw/zinc/24/18/04/351241804.db2.gz ZGFAMCNNZQFBFP-NSHDSACASA-N 0 0 225.295 2.448 10 0 BEAERN CN1CC[C@H](c2cc[nH]n2)c2ccccc21 ZINC000616674997 351242323 /nfs/dbraw/zinc/24/23/23/351242323.db2.gz IERBHDIAAMPCCT-JTQLQIEISA-N 0 0 213.284 2.382 10 0 BEAERN c1ccc2c(c1)NCC[C@H]2c1ccncn1 ZINC000616674771 351242358 /nfs/dbraw/zinc/24/23/58/351242358.db2.gz GWYFATZDUTWZLC-LLVKDONJSA-N 0 0 211.268 2.424 10 0 BEAERN c1cnc([C@@H]2CCNc3ccccc32)nc1 ZINC000616674788 351242379 /nfs/dbraw/zinc/24/23/79/351242379.db2.gz HGNJDODTNKAFEQ-LLVKDONJSA-N 0 0 211.268 2.424 10 0 BEAERN CCN1CC[C@H](c2cc(N)n[nH]2)c2ccccc21 ZINC000616675707 351243054 /nfs/dbraw/zinc/24/30/54/351243054.db2.gz OYYNJWKQNFXNHK-JTQLQIEISA-N 0 0 242.326 2.184 10 0 BEAERN CC(C)N1C[C@@H](c2conn2)Nc2ccccc21 ZINC000616680322 351246774 /nfs/dbraw/zinc/24/67/74/351246774.db2.gz BFAYGHCOZZKDIB-NSHDSACASA-N 0 0 244.298 2.451 10 0 BEAERN CCN1C[C@@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616680822 351247832 /nfs/dbraw/zinc/24/78/32/351247832.db2.gz HUCLFFAJFSHUNG-NSHDSACASA-N 0 0 228.299 2.403 10 0 BEAERN Clc1nsnc1NCCc1nccs1 ZINC000063138490 351248324 /nfs/dbraw/zinc/24/83/24/351248324.db2.gz VBHNPXKEIOYQGX-UHFFFAOYSA-N 0 0 246.748 2.303 10 0 BEAERN CCN1C[C@@H](c2cnno2)Nc2ccccc21 ZINC000616680871 351248476 /nfs/dbraw/zinc/24/84/76/351248476.db2.gz ICIRJQMTPGXTNV-JTQLQIEISA-N 0 0 230.271 2.063 10 0 BEAERN CN1C[C@@H](c2ncco2)Nc2ccccc21 ZINC000616680981 351248497 /nfs/dbraw/zinc/24/84/97/351248497.db2.gz KPFVBDABAKUFCZ-JTQLQIEISA-N 0 0 215.256 2.278 10 0 BEAERN CN1C[C@H](c2cccc(N)n2)Nc2ccccc21 ZINC000616682053 351252191 /nfs/dbraw/zinc/25/21/91/351252191.db2.gz GOABBNJHGFLJEP-GFCCVEGCSA-N 0 0 240.310 2.267 10 0 BEAERN CCN1C[C@H](c2cnno2)Nc2ccccc21 ZINC000616682278 351252913 /nfs/dbraw/zinc/25/29/13/351252913.db2.gz ICIRJQMTPGXTNV-SNVBAGLBSA-N 0 0 230.271 2.063 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cnco1 ZINC000616682559 351252986 /nfs/dbraw/zinc/25/29/86/351252986.db2.gz HZEFQQKGUXHDGH-NSHDSACASA-N 0 0 215.256 2.278 10 0 BEAERN CC(=O)[C@@H]1CNc2ccccc2N1C(C)C ZINC000616682694 351253465 /nfs/dbraw/zinc/25/34/65/351253465.db2.gz BITQCWSKBJHEBL-ZDUSSCGKSA-N 0 0 218.300 2.285 10 0 BEAERN CCN1c2ccccc2NC[C@H]1c1cnno1 ZINC000616682771 351253569 /nfs/dbraw/zinc/25/35/69/351253569.db2.gz KVGJLBXIVMXAAD-NSHDSACASA-N 0 0 230.271 2.063 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1ccnnc1 ZINC000616683260 351254063 /nfs/dbraw/zinc/25/40/63/351254063.db2.gz QQZZYNIJTOHLPM-CQSZACIVSA-N 0 0 240.310 2.470 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ccnnc2)C1 ZINC000616656012 351201420 /nfs/dbraw/zinc/20/14/20/351201420.db2.gz YLUOQQWTQFJTST-GFCCVEGCSA-N 0 0 249.314 2.203 10 0 BEAERN CC(=O)N1CCO[C@H](c2ccccc2F)CC1 ZINC000616665471 351222461 /nfs/dbraw/zinc/22/24/61/351222461.db2.gz KIXIBRBBDHUNOM-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN c1nnoc1[C@H]1CCc2ccccc2N1 ZINC000616668020 351225658 /nfs/dbraw/zinc/22/56/58/351225658.db2.gz DCVYHJGMSYDSNN-SNVBAGLBSA-N 0 0 201.229 2.169 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@@H]1c1conn1 ZINC000616668120 351225946 /nfs/dbraw/zinc/22/59/46/351225946.db2.gz HGMBFOUWNUMZLV-CYBMUJFWSA-N 0 0 243.266 2.110 10 0 BEAERN CCN1c2ccccc2CC[C@H]1C(=O)OC ZINC000616668692 351228118 /nfs/dbraw/zinc/22/81/18/351228118.db2.gz DBWBWCLIYSXNCG-LBPRGKRZSA-N 0 0 219.284 2.001 10 0 BEAERN O=C([O-])N1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000616669465 351228581 /nfs/dbraw/zinc/22/85/81/351228581.db2.gz AIVTXXYFFLGABZ-NSHDSACASA-N 0 0 243.266 2.165 10 0 BEAERN OCc1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000068945847 351300805 /nfs/dbraw/zinc/30/08/05/351300805.db2.gz OJFAZPNTDJATQJ-UHFFFAOYSA-N 0 0 214.677 2.284 10 0 BEAERN CCc1ccc(-c2c[nH]c(CO)n2)s1 ZINC000068945755 351301022 /nfs/dbraw/zinc/30/10/22/351301022.db2.gz LPDDZSYUGZLIJU-UHFFFAOYSA-N 0 0 208.286 2.193 10 0 BEAERN Cc1nc(C[C@H](O)c2ccco2)cs1 ZINC000068979558 351310357 /nfs/dbraw/zinc/31/03/57/351310357.db2.gz KBBYAEDHKRNQHL-VIFPVBQESA-N 0 0 209.270 2.321 10 0 BEAERN COc1cc(C(F)(F)F)cc(F)c1N ZINC000306902349 351317787 /nfs/dbraw/zinc/31/77/87/351317787.db2.gz QCNCEUAVHUEKMR-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN Nc1cccc(C(=O)c2ccco2)c1F ZINC000306908471 351321709 /nfs/dbraw/zinc/32/17/09/351321709.db2.gz GEKGZTXBSAMNFF-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN COc1ccc2c(c1)N[C@@H](C(C)(C)C)[C@@H](O)C2 ZINC000725268299 538100158 /nfs/dbraw/zinc/10/01/58/538100158.db2.gz LQGKOJFYBKIHQS-QWHCGFSZSA-N 0 0 235.327 2.439 10 0 BEAERN Cc1cccnc1C(=O)c1ccsn1 ZINC000306920159 351329187 /nfs/dbraw/zinc/32/91/87/351329187.db2.gz BQSCDSAHZCUDPZ-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CN(C#N)Cc1ccccc1Br ZINC000168173172 351331407 /nfs/dbraw/zinc/33/14/07/351331407.db2.gz DKRUWUKLRBUJCO-UHFFFAOYSA-N 0 0 225.089 2.362 10 0 BEAERN C[C@@H]1SCCC[C@]1(O)C1=COCCC1 ZINC000159983555 351268033 /nfs/dbraw/zinc/26/80/33/351268033.db2.gz OIMSBRWIKCWNEX-GXSJLCMTSA-N 0 0 214.330 2.327 10 0 BEAERN NCC(F)(F)c1cc(F)c(F)c(F)c1 ZINC000137042198 351271408 /nfs/dbraw/zinc/27/14/08/351271408.db2.gz FQEQVXLPSSYMQT-UHFFFAOYSA-N 0 0 211.133 2.154 10 0 BEAERN CC[C@@H](Nc1nc(C)cs1)[C@@H](C)O ZINC000306879901 351271459 /nfs/dbraw/zinc/27/14/59/351271459.db2.gz KBPWFISQCWCTBW-HTQZYQBOSA-N 0 0 200.307 2.023 10 0 BEAERN Clc1nsnc1N1C2CCC1CC2 ZINC000306878286 351271870 /nfs/dbraw/zinc/27/18/70/351271870.db2.gz CWUIURVBARFJDU-UHFFFAOYSA-N 0 0 215.709 2.323 10 0 BEAERN Cc1c(Cl)c(Cl)ccc1C(N)=O ZINC000306881580 351278370 /nfs/dbraw/zinc/27/83/70/351278370.db2.gz HRNGQALKWNFZRP-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN Cc1cnn(Cc2ccc(C)cc2C)c1N ZINC000034964049 351367615 /nfs/dbraw/zinc/36/76/15/351367615.db2.gz OROYCYVSFYAGIS-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN CC1(C)SC[C@H]1Nc1ccnc(Cl)n1 ZINC000306944327 351372434 /nfs/dbraw/zinc/37/24/34/351372434.db2.gz JOBZBTXVYGHOFH-ZCFIWIBFSA-N 0 0 229.736 2.436 10 0 BEAERN Brc1nnc(CCC2CC2)o1 ZINC000306961498 351384077 /nfs/dbraw/zinc/38/40/77/351384077.db2.gz FBYQPFLAKNOZRC-UHFFFAOYSA-N 0 0 217.066 2.175 10 0 BEAERN CS(C)(=O)=Nc1cc(Cl)ccc1N ZINC000306964153 351385348 /nfs/dbraw/zinc/38/53/48/351385348.db2.gz IPSNTMNXESTBHZ-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN Cc1ccc(C2=CCS(=O)(=O)C2)cc1Cl ZINC000040173776 351391978 /nfs/dbraw/zinc/39/19/78/351391978.db2.gz TWNLHXATYDFSHO-UHFFFAOYSA-N 0 0 242.727 2.460 10 0 BEAERN C[C@H]1SC(NCC(F)(F)F)=N[C@H]1C ZINC000306974416 351395164 /nfs/dbraw/zinc/39/51/64/351395164.db2.gz MGVRVNXQLKUUKT-CRCLSJGQSA-N 0 0 212.240 2.018 10 0 BEAERN Brc1cc(-c2ccns2)ncn1 ZINC000306973997 351395275 /nfs/dbraw/zinc/39/52/75/351395275.db2.gz WAZZBKVQXDNBIU-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN OCc1cncc(Cl)c1C(F)(F)F ZINC000306974365 351395344 /nfs/dbraw/zinc/39/53/44/351395344.db2.gz MGCOLHVFKGELCB-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN C[C@H](CO)Nc1ccc(F)cc1Br ZINC000306975369 351396316 /nfs/dbraw/zinc/39/63/16/351396316.db2.gz ZLDDXNOZVRQHTE-ZCFIWIBFSA-N 0 0 248.095 2.381 10 0 BEAERN O=C1CSC(C2Cc3ccccc3C2)=N1 ZINC000306977355 351396957 /nfs/dbraw/zinc/39/69/57/351396957.db2.gz AQTKZZWOGVFKRS-UHFFFAOYSA-N 0 0 217.293 2.073 10 0 BEAERN Clc1cccc(CNCc2ncccn2)c1 ZINC000054459820 180590572 /nfs/dbraw/zinc/59/05/72/180590572.db2.gz RIWNVDOROXLGIO-UHFFFAOYSA-N 0 0 233.702 2.420 10 0 BEAERN CC(C)CC(=O)Nc1nnc(Cl)s1 ZINC000306924596 351343118 /nfs/dbraw/zinc/34/31/18/351343118.db2.gz JURLZVHSNJEZTM-UHFFFAOYSA-N 0 0 219.697 2.176 10 0 BEAERN O=Cc1ccc(OC(F)F)nc1Cl ZINC000306986534 351403234 /nfs/dbraw/zinc/40/32/34/351403234.db2.gz XPMCKZFVIKSQLZ-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN CN[C@]1(C(F)(F)F)C[C@@H](C)O[C@@H](C)C1 ZINC000252093822 363027292 /nfs/dbraw/zinc/02/72/92/363027292.db2.gz HMPOZQPOWCBUOH-RNLVFQAGSA-N 0 0 211.227 2.094 10 0 BEAERN Cc1nnc(Cl)n1[C@@H]1CCS[C@@H]1C ZINC000306931350 351357264 /nfs/dbraw/zinc/35/72/64/351357264.db2.gz BQCVWEHLISSRPQ-IYSWYEEDSA-N 0 0 217.725 2.306 10 0 BEAERN Nc1c(O)cc(F)cc1OC(F)(F)F ZINC000306935492 351360005 /nfs/dbraw/zinc/36/00/05/351360005.db2.gz IEHCYZALVNNDFS-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN O=Cc1cc(OC(F)F)cnc1Cl ZINC000306987796 351404375 /nfs/dbraw/zinc/40/43/75/351404375.db2.gz ZLHJPQGVMRNONF-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN C[C@H]1CCN(c2nsnc2Cl)[C@H]1C ZINC000307028558 351430579 /nfs/dbraw/zinc/43/05/79/351430579.db2.gz LCVXGGTUYXLSTB-WDSKDSINSA-N 0 0 217.725 2.426 10 0 BEAERN Cc1nnc(N[C@H](C)C(F)(F)F)s1 ZINC000307032276 351432448 /nfs/dbraw/zinc/43/24/48/351432448.db2.gz PXTCAZQSLGJLPL-GSVOUGTGSA-N 0 0 211.212 2.209 10 0 BEAERN Cc1nsc(N[C@@H](C)CC(F)F)n1 ZINC000307024238 351433540 /nfs/dbraw/zinc/43/35/40/351433540.db2.gz VXMUOYGCHOECNK-BYPYZUCNSA-N 0 0 207.249 2.302 10 0 BEAERN O=C(N[C@@H]1CCSC1)OCc1ccccc1 ZINC000307025531 351434494 /nfs/dbraw/zinc/43/44/94/351434494.db2.gz JPMBGXUDDGCPON-LLVKDONJSA-N 0 0 237.324 2.418 10 0 BEAERN NC(=O)c1ccc(Cl)cc1OC(F)F ZINC000307044067 351445223 /nfs/dbraw/zinc/44/52/23/351445223.db2.gz WCONSVRONFQCGG-UHFFFAOYSA-N 0 0 221.590 2.040 10 0 BEAERN Cc1cc([C@@H]2NC[C@@H](C)S2)sn1 ZINC000404439017 351450008 /nfs/dbraw/zinc/45/00/08/351450008.db2.gz IRMBHIPFURHQLB-HTRCEHHLSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1cc2[nH]c(C=O)nc2cc1Br ZINC000307059185 351458067 /nfs/dbraw/zinc/45/80/67/351458067.db2.gz HIQPHRCOPBINCZ-UHFFFAOYSA-N 0 0 239.072 2.446 10 0 BEAERN CC[C@H](N[C@@H](C)C(=O)OC)c1ccccc1F ZINC000122496861 363030198 /nfs/dbraw/zinc/03/01/98/363030198.db2.gz DWPIAAIAIZXJAG-CABZTGNLSA-N 0 0 239.290 2.428 10 0 BEAERN CC[C@@H]1CS[C@@H](c2ccns2)N1 ZINC000404451242 351463934 /nfs/dbraw/zinc/46/39/34/351463934.db2.gz RKPBEGULCFBWDH-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN Cc1nn(C)cc1C(=O)c1ccoc1Cl ZINC000306984554 351407972 /nfs/dbraw/zinc/40/79/72/351407972.db2.gz METBJENZURYDNM-UHFFFAOYSA-N 0 0 224.647 2.206 10 0 BEAERN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C)O1 ZINC000306992982 351409500 /nfs/dbraw/zinc/40/95/00/351409500.db2.gz XWAMMEVWYOXFRU-UTLUCORTSA-N 0 0 229.320 2.467 10 0 BEAERN C[C@H](Nc1ncns1)c1cncs1 ZINC000307003376 351413389 /nfs/dbraw/zinc/41/33/89/351413389.db2.gz DCYDASVNJYBWQZ-YFKPBYRVSA-N 0 0 212.303 2.168 10 0 BEAERN CC(=O)N1CCC(C(=O)c2ccccc2F)CC1 ZINC000163979026 351418761 /nfs/dbraw/zinc/41/87/61/351418761.db2.gz RNYJXKBQAXMNSV-UHFFFAOYSA-N 0 0 249.285 2.267 10 0 BEAERN Nc1n[nH]cc1C(=O)Cc1sccc1Cl ZINC000307012869 351419997 /nfs/dbraw/zinc/41/99/97/351419997.db2.gz MYWDOLRTJXUHPF-UHFFFAOYSA-N 0 0 241.703 2.132 10 0 BEAERN C[C@@H]1C[C@@H](n2ncc(Br)c2N)[C@H]1C ZINC000307074566 351465001 /nfs/dbraw/zinc/46/50/01/351465001.db2.gz NBPOUXGGZFWYSM-GKROBHDKSA-N 0 0 244.136 2.445 10 0 BEAERN O=C1CCN(c2ccsc2Cl)C1 ZINC000307015185 351423064 /nfs/dbraw/zinc/42/30/64/351423064.db2.gz NGGNPUUZWKUTAT-UHFFFAOYSA-N 0 0 201.678 2.181 10 0 BEAERN Cc1ccc([C@@H](O)[C@H](C)O)cc1Cl ZINC000231986535 351494112 /nfs/dbraw/zinc/49/41/12/351494112.db2.gz PZILQDPZUWQQFH-XVKPBYJWSA-N 0 0 200.665 2.063 10 0 BEAERN Cc1ccc([C@H](O)[C@@H](C)O)cc1Cl ZINC000231986531 351494197 /nfs/dbraw/zinc/49/41/97/351494197.db2.gz PZILQDPZUWQQFH-GMSGAONNSA-N 0 0 200.665 2.063 10 0 BEAERN Cn1ccc(-c2ccc(O)c(Cl)c2)n1 ZINC000231989435 351494334 /nfs/dbraw/zinc/49/43/34/351494334.db2.gz ZMHHSRPKFODAHS-UHFFFAOYSA-N 0 0 208.648 2.446 10 0 BEAERN Cc1ccccc1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000307137132 351494342 /nfs/dbraw/zinc/49/43/42/351494342.db2.gz WJWLYWYVCFYNNA-GDNZZTSVSA-N 0 0 202.253 2.070 10 0 BEAERN CC(C)[S@@](=O)Nc1cccnc1Cl ZINC000307136951 351494399 /nfs/dbraw/zinc/49/43/99/351494399.db2.gz WAHXPOCJJZWRKJ-CYBMUJFWSA-N 0 0 218.709 2.219 10 0 BEAERN Nc1ccnn1Cc1sccc1Cl ZINC000307145094 351497990 /nfs/dbraw/zinc/49/79/90/351497990.db2.gz IOTDWFZVSAPMMG-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CO[C@H](C)c1nsc(NC2(C)CC2)n1 ZINC000307147476 351499987 /nfs/dbraw/zinc/49/99/87/351499987.db2.gz OZDIPPRTMWKZEX-ZCFIWIBFSA-N 0 0 213.306 2.210 10 0 BEAERN O=c1nc(-c2ccc(Br)o2)cc[nH]1 ZINC000307141079 351500550 /nfs/dbraw/zinc/50/05/50/351500550.db2.gz CZVLSWQSJPKLKU-UHFFFAOYSA-N 0 0 241.044 2.205 10 0 BEAERN O=C(c1ccns1)[C@@H]1CSCCS1 ZINC000307147541 351500610 /nfs/dbraw/zinc/50/06/10/351500610.db2.gz OIHHSSQFWIENBB-ZETCQYMHSA-N 0 0 231.367 2.174 10 0 BEAERN C/C(=C/Cl)Cn1c(C)[nH+]cc1C(=O)[O-] ZINC000232006356 351505007 /nfs/dbraw/zinc/50/50/07/351505007.db2.gz OUOAEIVLIMTCTK-UTCJRWHESA-N 0 0 214.652 2.032 10 0 BEAERN Clc1cn2ccnc2c(Br)n1 ZINC000039310806 180597457 /nfs/dbraw/zinc/59/74/57/180597457.db2.gz LIGLKKDCZGHGDL-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@H](O)C2(CCCC2)C1 ZINC000307156826 351507330 /nfs/dbraw/zinc/50/73/30/351507330.db2.gz GJSRKVQVCXMLIM-JTQLQIEISA-N 0 0 241.331 2.158 10 0 BEAERN COc1ccc2cc(NN)c(C3CC3)nc2c1 ZINC000725268323 538100383 /nfs/dbraw/zinc/10/03/83/538100383.db2.gz MIWCZFXKNMVUIU-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN Clc1ccc(C2=NCCCN2)s1 ZINC000307081455 351469893 /nfs/dbraw/zinc/46/98/93/351469893.db2.gz TWJZCQSXFYNKSC-UHFFFAOYSA-N 0 0 200.694 2.141 10 0 BEAERN OCc1c(F)ccc(OC(F)F)c1F ZINC000307089445 351472465 /nfs/dbraw/zinc/47/24/65/351472465.db2.gz VDBKSHZKSHGPQK-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN C[C@H]1SCC[C@H]1Nc1nsnc1Cl ZINC000307092295 351473241 /nfs/dbraw/zinc/47/32/41/351473241.db2.gz YZQUBNXEYAHAKV-RFZPGFLSSA-N 0 0 235.765 2.497 10 0 BEAERN Nc1cc(O)c(F)cc1OC(F)(F)F ZINC000307116555 351487419 /nfs/dbraw/zinc/48/74/19/351487419.db2.gz YOUZJWOXIUAKIX-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(F)n1 ZINC000307166431 351535157 /nfs/dbraw/zinc/53/51/57/351535157.db2.gz PCRHUMNFFUCCOC-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOc1ccc(-c2csc(N)n2)cn1 ZINC000606302084 351552710 /nfs/dbraw/zinc/55/27/10/351552710.db2.gz ANPSTHYFWWDICM-UHFFFAOYSA-N 0 0 221.285 2.016 10 0 BEAERN O=[S@@](Nc1nccc(Cl)n1)C1CCCC1 ZINC000307170585 351546954 /nfs/dbraw/zinc/54/69/54/351546954.db2.gz BAKDJWYIKSNCSA-OAHLLOKOSA-N 0 0 245.735 2.148 10 0 BEAERN O=[S@](Nc1nccc(Cl)n1)C1CCCC1 ZINC000307170583 351547344 /nfs/dbraw/zinc/54/73/44/351547344.db2.gz BAKDJWYIKSNCSA-HNNXBMFYSA-N 0 0 245.735 2.148 10 0 BEAERN Cc1cc(-c2cnsc2)nc(=S)[nH]1 ZINC000404586826 351570444 /nfs/dbraw/zinc/57/04/44/351570444.db2.gz FDPXWANREDLUMD-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN C[C@H](Nc1cc(N)ns1)C(F)(F)F ZINC000307212431 351614509 /nfs/dbraw/zinc/61/45/09/351614509.db2.gz PDEHLZBWDQPHAY-VKHMYHEASA-N 0 0 211.212 2.088 10 0 BEAERN CC(=O)c1ccnc([C@H]2CSCCS2)n1 ZINC000307185507 351585091 /nfs/dbraw/zinc/58/50/91/351585091.db2.gz IRZHHTSVBXHNOR-SECBINFHSA-N 0 0 240.353 2.200 10 0 BEAERN Cn1cc(-c2csc(NC3CC3)n2)cn1 ZINC000061714523 180628116 /nfs/dbraw/zinc/62/81/16/180628116.db2.gz VNZHIRXRBNNIKH-UHFFFAOYSA-N 0 0 220.301 2.118 10 0 BEAERN C[C@@H]1SCCC[C@H]1Nc1cncnc1 ZINC000232086220 351700651 /nfs/dbraw/zinc/70/06/51/351700651.db2.gz LFADPBXFEQEVEJ-WCBMZHEXSA-N 0 0 209.318 2.173 10 0 BEAERN Cc1cn(-c2cncc(C)c2)c(=S)[nH]1 ZINC000232080211 351703061 /nfs/dbraw/zinc/70/30/61/351703061.db2.gz MDTVUFOUGQQZQL-UHFFFAOYSA-N 0 0 205.286 2.173 10 0 BEAERN COc1ccc(OC)c(Br)c1O ZINC000307234325 351703235 /nfs/dbraw/zinc/70/32/35/351703235.db2.gz RUFMLKNNSDFHEZ-UHFFFAOYSA-N 0 0 233.061 2.172 10 0 BEAERN CC[S@](=O)Nc1cnc(Cl)c(C)c1 ZINC000307236633 351725934 /nfs/dbraw/zinc/72/59/34/351725934.db2.gz NTUYGECXWBFZRH-ZDUSSCGKSA-N 0 0 218.709 2.139 10 0 BEAERN CS[C@@H]1CCN(c2nsnc2Cl)C1 ZINC000307239501 351730785 /nfs/dbraw/zinc/73/07/85/351730785.db2.gz HSCZWTQNVWQEDD-RXMQYKEDSA-N 0 0 235.765 2.133 10 0 BEAERN CC(F)(F)CNc1nc(Cl)c(CO)s1 ZINC000307255809 351789871 /nfs/dbraw/zinc/78/98/71/351789871.db2.gz ZXXLFCDBOJWBJE-UHFFFAOYSA-N 0 0 242.678 2.356 10 0 BEAERN Cc1nc([C@]2(O)CSC[C@@H]2C)cs1 ZINC000307255540 351790282 /nfs/dbraw/zinc/79/02/82/351790282.db2.gz ZOEVETKSFYYHRA-RCOVLWMOSA-N 0 0 215.343 2.022 10 0 BEAERN COc1ccc(-c2ccoc2C=O)nc1 ZINC000307250771 351770435 /nfs/dbraw/zinc/77/04/35/351770435.db2.gz PVWPQYRXKHISJN-UHFFFAOYSA-N 0 0 203.197 2.163 10 0 BEAERN CCc1cc(CC)nc(Br)n1 ZINC000307266190 351814556 /nfs/dbraw/zinc/81/45/56/351814556.db2.gz GHVMSOMJWBDIGH-UHFFFAOYSA-N 0 0 215.094 2.364 10 0 BEAERN Nc1ccc(C(F)(F)F)c(Br)n1 ZINC000307266222 351814812 /nfs/dbraw/zinc/81/48/12/351814812.db2.gz GMPPUWGOVPVSOI-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN CC1(Nc2nnc(C(F)F)s2)CC1 ZINC000307285132 351851711 /nfs/dbraw/zinc/85/17/11/351851711.db2.gz OARXJLIWILITAD-UHFFFAOYSA-N 0 0 205.233 2.440 10 0 BEAERN Cn1cc(COc2ccc(N)c(Cl)c2)cn1 ZINC000050530960 180653647 /nfs/dbraw/zinc/65/36/47/180653647.db2.gz GOGDJTMGXHAMCY-UHFFFAOYSA-N 0 0 237.690 2.235 10 0 BEAERN Nc1cc(O)cc(OC(F)(F)F)c1F ZINC000307290562 351859374 /nfs/dbraw/zinc/85/93/74/351859374.db2.gz ITPHHLMUTVPFGZ-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CC(C)Cn1cc(NC(=O)N2CC3(CC3)C2)cn1 ZINC000333243997 187540040 /nfs/dbraw/zinc/54/00/40/187540040.db2.gz QOVRDDDCCBZYTF-UHFFFAOYSA-N 0 0 248.330 2.167 10 0 BEAERN Nc1c(F)ccc(F)c1OC(F)(F)F ZINC000307296184 351906077 /nfs/dbraw/zinc/90/60/77/351906077.db2.gz QLEKJISYNOMZOK-UHFFFAOYSA-N 0 0 213.105 2.446 10 0 BEAERN CS(C)(=O)=Nc1ccc(Cl)cc1N ZINC000307310051 351952832 /nfs/dbraw/zinc/95/28/32/351952832.db2.gz FFJWLKNWOUCIDW-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN Cn1cc([C@@H]2CCCN2C(=O)CC2CCC2)cn1 ZINC000173060053 180666616 /nfs/dbraw/zinc/66/66/16/180666616.db2.gz PNEDWVRLKUHCLE-ZDUSSCGKSA-N 0 0 247.342 2.274 10 0 BEAERN Cc1cnn(C)c1C(=O)[C@@H]1CCC[C@H]1C ZINC000307336431 352053624 /nfs/dbraw/zinc/05/36/24/352053624.db2.gz RZZIYLFFNBNFOG-PSASIEDQSA-N 0 0 206.289 2.347 10 0 BEAERN O[C@H](COCc1ccccc1)c1ccns1 ZINC000307338630 352054885 /nfs/dbraw/zinc/05/48/85/352054885.db2.gz HJIUXRPNODVUGQ-LLVKDONJSA-N 0 0 235.308 2.393 10 0 BEAERN COC(=O)c1c(F)c(C)cc(F)c1F ZINC000307338742 352059358 /nfs/dbraw/zinc/05/93/58/352059358.db2.gz QWFDJMQPLKZWJK-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN O=C(OCc1ccccc1)N1CCCCO1 ZINC000307325805 352021527 /nfs/dbraw/zinc/02/15/27/352021527.db2.gz MHJCCQHMRUJLID-UHFFFAOYSA-N 0 0 221.256 2.351 10 0 BEAERN c1c[nH]c(N2CCc3sccc3C2)n1 ZINC000307329451 352030572 /nfs/dbraw/zinc/03/05/72/352030572.db2.gz LPWBMHVJPQRTOK-UHFFFAOYSA-N 0 0 205.286 2.034 10 0 BEAERN Nc1cc(O)cc(F)c1OC(F)(F)F ZINC000307343433 352090144 /nfs/dbraw/zinc/09/01/44/352090144.db2.gz XJJBHQPHHGECAK-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12C[C@@H](C)CC[C@H]2C ZINC000252126560 363130322 /nfs/dbraw/zinc/13/03/22/363130322.db2.gz LMHBHZBNYYWSSJ-QCMRWSPLSA-N 0 0 212.289 2.143 10 0 BEAERN COc1ccc(/C=C(/C)NC(C)=O)cc1 ZINC000219004119 363133677 /nfs/dbraw/zinc/13/36/77/363133677.db2.gz KNBWYJBSVMDTSB-HJWRWDBZSA-N 0 0 205.257 2.192 10 0 BEAERN Cc1csc(N[C@H]2CCOC[C@@H]2C)n1 ZINC000300945297 363175831 /nfs/dbraw/zinc/17/58/31/363175831.db2.gz DYLVIRHMTCNYOU-CBAPKCEASA-N 0 0 212.318 2.288 10 0 BEAERN CSC[C@H](C)Nc1cnc(C)c(C)n1 ZINC000229070926 352332240 /nfs/dbraw/zinc/33/22/40/352332240.db2.gz HTYLHGRLGVBEFD-ZETCQYMHSA-N 0 0 211.334 2.257 10 0 BEAERN CC(C)CC(=O)Nc1ccc2[nH]c(C[NH3+])nc2c1 ZINC000725271407 538103060 /nfs/dbraw/zinc/10/30/60/538103060.db2.gz MFOCNUQITWKZBZ-UHFFFAOYSA-N 0 0 246.314 2.006 10 0 BEAERN CC(C)[C@H](C)CC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114407679 187720317 /nfs/dbraw/zinc/72/03/17/187720317.db2.gz NKKADVWIKUIIOZ-PWSUYJOCSA-N 0 0 249.358 2.065 10 0 BEAERN N[C@H](c1cscn1)c1sccc1F ZINC000307373577 352472295 /nfs/dbraw/zinc/47/22/95/352472295.db2.gz SJMMBMVAKDATHA-SSDOTTSWSA-N 0 0 214.290 2.392 10 0 BEAERN FC1(F)CCCC[C@H]1C1N=NC(=S)N1 ZINC000307410487 352586522 /nfs/dbraw/zinc/58/65/22/352586522.db2.gz FDXOQHGRZGWVGW-YFKPBYRVSA-N 0 0 219.260 2.386 10 0 BEAERN Nc1noc(-c2csc(Cl)c2)n1 ZINC000307413955 352587928 /nfs/dbraw/zinc/58/79/28/352587928.db2.gz JEKSXRIRUJIOTG-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN O[C@H](CN1CCC1)c1ccc(Cl)s1 ZINC000307420007 352590553 /nfs/dbraw/zinc/59/05/53/352590553.db2.gz QOHUNGRDASQIRG-SSDOTTSWSA-N 0 0 217.721 2.141 10 0 BEAERN C[C@H]1C[C@@H]1CN(C)c1cnnc(Cl)c1 ZINC000229121175 352590645 /nfs/dbraw/zinc/59/06/45/352590645.db2.gz SYXGKUVPTQZIEW-JGVFFNPUSA-N 0 0 211.696 2.222 10 0 BEAERN N[C@H](c1cnsc1)c1sccc1F ZINC000404848682 352590675 /nfs/dbraw/zinc/59/06/75/352590675.db2.gz NJEICSMIWRLLQI-SSDOTTSWSA-N 0 0 214.290 2.392 10 0 BEAERN C[C@@H]1C[C@H]1CN(C)c1cnnc(Cl)c1 ZINC000229121185 352590745 /nfs/dbraw/zinc/59/07/45/352590745.db2.gz SYXGKUVPTQZIEW-SFYZADRCSA-N 0 0 211.696 2.222 10 0 BEAERN C[C@H]1CN(OCc2ccccc2)CCC1=O ZINC000307418964 352591328 /nfs/dbraw/zinc/59/13/28/352591328.db2.gz MHGYUCHFUDLDCJ-NSHDSACASA-N 0 0 219.284 2.029 10 0 BEAERN Cc1cc(Br)ccc1[C@@H]1CC(=O)N1 ZINC000307431520 352595116 /nfs/dbraw/zinc/59/51/16/352595116.db2.gz LNZAQDGZSLFZPA-VIFPVBQESA-N 0 0 240.100 2.319 10 0 BEAERN CCc1nnc(N[C@@H]2CCCSC2)s1 ZINC000232283548 352596105 /nfs/dbraw/zinc/59/61/05/352596105.db2.gz OBSNJMSVVVTIST-SSDOTTSWSA-N 0 0 229.374 2.408 10 0 BEAERN C[Si](C)(C)c1ccc2c(c1)OCCCO2 ZINC000307475229 352618832 /nfs/dbraw/zinc/61/88/32/352618832.db2.gz BATVRAWERMGDFR-UHFFFAOYSA-N 0 0 222.360 2.393 10 0 BEAERN CCCC(=O)c1ccc(C(=O)OCC)o1 ZINC000031893718 352602214 /nfs/dbraw/zinc/60/22/14/352602214.db2.gz LQCFYHCTIGXFBV-UHFFFAOYSA-N 0 0 210.229 2.439 10 0 BEAERN C[C@@H](Nc1cnns1)c1cncs1 ZINC000232291686 352605633 /nfs/dbraw/zinc/60/56/33/352605633.db2.gz VPSJPKPEJXQYPR-RXMQYKEDSA-N 0 0 212.303 2.168 10 0 BEAERN CC(C)[C@H]1CC(=O)N(Cc2ccccc2)C(=O)N1 ZINC000232305602 352611250 /nfs/dbraw/zinc/61/12/50/352611250.db2.gz ZBLZOWOIWOILKK-GFCCVEGCSA-N 0 0 246.310 2.153 10 0 BEAERN C[C@@H]1SCCC[C@]1(O)c1ccsn1 ZINC000307471951 352613569 /nfs/dbraw/zinc/61/35/69/352613569.db2.gz QERHXYASBUPBIQ-IONNQARKSA-N 0 0 215.343 2.246 10 0 BEAERN CC(=O)Cn1cc(Cl)c(C(F)(F)F)n1 ZINC000002537949 187756180 /nfs/dbraw/zinc/75/61/80/187756180.db2.gz FDEHIFJXGQGATL-UHFFFAOYSA-N 0 0 226.585 2.144 10 0 BEAERN CCN(C)c1ccc(N)c2cccnc21 ZINC000035342115 187758236 /nfs/dbraw/zinc/75/82/36/187758236.db2.gz QRQSOTZVFRDNRD-UHFFFAOYSA-N 0 0 201.273 2.273 10 0 BEAERN CCCC[C@@H]1COC[C@H](C)[C@@H]1OC(C)=O ZINC000005821924 187758334 /nfs/dbraw/zinc/75/83/34/187758334.db2.gz XWNKVSFNBVIKJB-WCQGTBRESA-N 0 0 214.305 2.391 10 0 BEAERN Nc1ccc(SCc2ccncc2)nc1 ZINC000037191887 187760988 /nfs/dbraw/zinc/76/09/88/187760988.db2.gz BVCAGVPBXNCWJM-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN CCOC(=O)c1ccccc1C(=O)N(CC)CC ZINC000022003983 187763657 /nfs/dbraw/zinc/76/36/57/187763657.db2.gz HJVVPRGNRXTJLA-UHFFFAOYSA-N 0 0 249.310 2.345 10 0 BEAERN CO[C@@H]1CCC[C@H]1n1ccc(Br)n1 ZINC000307408000 352581751 /nfs/dbraw/zinc/58/17/51/352581751.db2.gz FENNEZQESFOMOZ-HTQZYQBOSA-N 0 0 245.120 2.386 10 0 BEAERN COc1ccc(Sc2ncc[nH]2)c(N)c1 ZINC000039424388 187765113 /nfs/dbraw/zinc/76/51/13/187765113.db2.gz HUDDXPRDFIJZKG-UHFFFAOYSA-N 0 0 221.285 2.152 10 0 BEAERN C[C@H]1COCC[C@H]1c1nnc(Cl)s1 ZINC000301023301 352584759 /nfs/dbraw/zinc/58/47/59/352584759.db2.gz OFKUMDNUEOTPNT-NTSWFWBYSA-N 0 0 218.709 2.332 10 0 BEAERN O[C@@H](C1=COCC1)c1ncc(Cl)s1 ZINC000307531023 352638583 /nfs/dbraw/zinc/63/85/83/352638583.db2.gz WNJCGKLOBOOMCA-ZETCQYMHSA-N 0 0 217.677 2.134 10 0 BEAERN CCc1nc([C@@H]2N[C@@H](C)CS2)cs1 ZINC000307533485 352639109 /nfs/dbraw/zinc/63/91/09/352639109.db2.gz ORJXQTDFGNRWCE-IMTBSYHQSA-N 0 0 214.359 2.429 10 0 BEAERN CC(C)(C)c1nc2n(c1C=O)CCS2 ZINC000075484822 187789600 /nfs/dbraw/zinc/78/96/00/187789600.db2.gz OGXFILFBKOPSRV-UHFFFAOYSA-N 0 0 210.302 2.099 10 0 BEAERN Brc1cnc(-c2cnsc2)cn1 ZINC000404952781 352643454 /nfs/dbraw/zinc/64/34/54/352643454.db2.gz QXXDILLXPOTEIS-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Cc1nc(-c2nsc(Cl)n2)co1 ZINC000307542413 352645918 /nfs/dbraw/zinc/64/59/18/352645918.db2.gz ZGOBROKGBNLLGJ-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN O=C1CSC(c2cc(F)c(F)c(F)c2)=N1 ZINC000307546062 352646345 /nfs/dbraw/zinc/64/63/45/352646345.db2.gz YXPMQQDZNRLKBO-UHFFFAOYSA-N 0 0 231.198 2.124 10 0 BEAERN CC1(C)CN(c2nnc(Br)s2)C1 ZINC000307549632 352647557 /nfs/dbraw/zinc/64/75/57/352647557.db2.gz QBVKBSVBJNXNAT-UHFFFAOYSA-N 0 0 248.149 2.147 10 0 BEAERN CC(C)(NC1=NCCS1)C(F)(F)F ZINC000307552526 352648219 /nfs/dbraw/zinc/64/82/19/352648219.db2.gz URZDEFJIMYVASS-UHFFFAOYSA-N 0 0 212.240 2.020 10 0 BEAERN COc1cc(-c2csc(C(C)=O)n2)sn1 ZINC000307577456 352658966 /nfs/dbraw/zinc/65/89/66/352658966.db2.gz PJVQZIKMIAWKBE-UHFFFAOYSA-N 0 0 240.309 2.478 10 0 BEAERN Cc1nc(NCc2ccc(Cl)o2)no1 ZINC000307586219 352661263 /nfs/dbraw/zinc/66/12/63/352661263.db2.gz PBXXGXGTZUWUGN-UHFFFAOYSA-N 0 0 213.624 2.237 10 0 BEAERN C[C@H](Nc1ncc(N)s1)C(C)(F)F ZINC000307587788 352661951 /nfs/dbraw/zinc/66/19/51/352661951.db2.gz VGWCNPWNNLGXNF-BYPYZUCNSA-N 0 0 207.249 2.181 10 0 BEAERN C[C@@H](Nc1ncc(N)s1)C(C)(F)F ZINC000307587789 352662139 /nfs/dbraw/zinc/66/21/39/352662139.db2.gz VGWCNPWNNLGXNF-SCSAIBSYSA-N 0 0 207.249 2.181 10 0 BEAERN CC(C)N(CC1CC1)c1cc(C(N)=S)ccn1 ZINC000042592325 187776890 /nfs/dbraw/zinc/77/68/90/187776890.db2.gz DXXWRCGKIHNGCC-UHFFFAOYSA-N 0 0 249.383 2.341 10 0 BEAERN CSc1cc(N)ncc1Br ZINC000307600727 352666484 /nfs/dbraw/zinc/66/64/84/352666484.db2.gz SXNYEUDAHCJLQC-UHFFFAOYSA-N 0 0 219.107 2.148 10 0 BEAERN C[C@]1(CO)CC[C@H]([C@]2(C)CCCS2)O1 ZINC000307608409 352667110 /nfs/dbraw/zinc/66/71/10/352667110.db2.gz DTKILSIHLVZHNG-MXWKQRLJSA-N 0 0 216.346 2.202 10 0 BEAERN c1ncc(-c2cn3ccccc3n2)s1 ZINC000229168286 352620105 /nfs/dbraw/zinc/62/01/05/352620105.db2.gz NZFDQIXTMKCQCJ-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN Cc1scc(-c2nc(N)ns2)c1C ZINC000307482620 352620190 /nfs/dbraw/zinc/62/01/90/352620190.db2.gz ZCEWQSJVBAOZSB-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN CCNc1ccccc1C(=O)N[C@H]1C[C@@H]1C ZINC000052303351 187781381 /nfs/dbraw/zinc/78/13/81/187781381.db2.gz WPMNPWHGZYNVDF-CABZTGNLSA-N 0 0 218.300 2.257 10 0 BEAERN O=C(c1cncs1)c1cc(F)ncc1F ZINC000307491381 352624111 /nfs/dbraw/zinc/62/41/11/352624111.db2.gz YOUJJAVDTWQTPN-UHFFFAOYSA-N 0 0 226.207 2.047 10 0 BEAERN Brc1ncc2ccsc2n1 ZINC000307491292 352624346 /nfs/dbraw/zinc/62/43/46/352624346.db2.gz GIJNDOAMRWNKRS-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN CC(C)Cc1c(N)n[nH]c1-c1ccccn1 ZINC000061125745 187783100 /nfs/dbraw/zinc/78/31/00/187783100.db2.gz APTBYSQUYOVWFH-UHFFFAOYSA-N 0 0 216.288 2.252 10 0 BEAERN Nc1cc(F)cc(O)c1OC(F)(F)F ZINC000307528576 352635114 /nfs/dbraw/zinc/63/51/14/352635114.db2.gz KJGRGZBJBYIYAY-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000103391369 187803420 /nfs/dbraw/zinc/80/34/20/187803420.db2.gz DGKBKESLBVXMDX-NSHDSACASA-N 0 0 221.300 2.240 10 0 BEAERN Nc1nnc([C@H]2CC3CCC2CC3)s1 ZINC000307627947 352706980 /nfs/dbraw/zinc/70/69/80/352706980.db2.gz JTMZLUKHWUURRF-RRQHEKLDSA-N 0 0 209.318 2.414 10 0 BEAERN Cc1cccc(=O)n1Cc1csc(Cl)n1 ZINC000307615794 352674177 /nfs/dbraw/zinc/67/41/77/352674177.db2.gz RDYURWQHCPNFCJ-UHFFFAOYSA-N 0 0 240.715 2.315 10 0 BEAERN CC(C)C[S@](=O)c1nc2ncccc2s1 ZINC000089229429 187799540 /nfs/dbraw/zinc/79/95/40/187799540.db2.gz BGQIKOJZVUEBEM-OAHLLOKOSA-N 0 0 240.353 2.455 10 0 BEAERN CC(C)=CCNC(=O)N1CCS[C@@H](C)C1 ZINC000190574457 187824692 /nfs/dbraw/zinc/82/46/92/187824692.db2.gz CBWNIUMUFGURFA-JTQLQIEISA-N 0 0 228.361 2.100 10 0 BEAERN O=C(OCc1ccccc1)C1CC2(CCC2=O)C1 ZINC000307649111 352740691 /nfs/dbraw/zinc/74/06/91/352740691.db2.gz FWKJNOHCQIVKGH-UHFFFAOYSA-N 0 0 244.290 2.489 10 0 BEAERN Nc1cc(Br)c(F)cc1N1CCC1 ZINC000307663435 352748370 /nfs/dbraw/zinc/74/83/70/352748370.db2.gz IQQPEWQCUXAAKT-UHFFFAOYSA-N 0 0 245.095 2.381 10 0 BEAERN C[C@H]1CSC[C@@H]1Nc1nsnc1Cl ZINC000307686779 352918769 /nfs/dbraw/zinc/91/87/69/352918769.db2.gz BTXLABFWCZNUAX-WHFBIAKZSA-N 0 0 235.765 2.355 10 0 BEAERN CCCCCCn1ccc(=O)c(O)c1C ZINC000013558676 168682264 /nfs/dbraw/zinc/68/22/64/168682264.db2.gz UJMBXXIGVFMNDN-UHFFFAOYSA-N 0 0 209.289 2.443 10 0 BEAERN S=C1N=NC(c2coc(Br)c2)N1 ZINC000307699680 352975783 /nfs/dbraw/zinc/97/57/83/352975783.db2.gz PDSAPRCGLPXWOU-UHFFFAOYSA-N 0 0 246.089 2.116 10 0 BEAERN O=C1CCC(Sc2nncs2)CC1 ZINC000306173161 352987656 /nfs/dbraw/zinc/98/76/56/352987656.db2.gz FHGPMQPWVOGQDZ-UHFFFAOYSA-N 0 0 214.315 2.142 10 0 BEAERN COc1cc(N)cc(COCC(C)C)c1 ZINC000088042300 323940989 /nfs/dbraw/zinc/94/09/89/323940989.db2.gz BWVAPGWWHYEBOJ-UHFFFAOYSA-N 0 0 209.289 2.450 10 0 BEAERN Cc1ccc([C@]2(O)CCOC[C@H]2C)s1 ZINC000300958625 363200980 /nfs/dbraw/zinc/20/09/80/363200980.db2.gz GBQXBLVGDOZGFT-KCJUWKMLSA-N 0 0 212.314 2.301 10 0 BEAERN Fc1ccc(CNc2nccs2)cn1 ZINC000306724995 353036749 /nfs/dbraw/zinc/03/67/49/353036749.db2.gz JUJFKYSCTHUSGA-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN Cc1ccc(C(=O)c2ccns2)c(C)n1 ZINC000306555204 353024558 /nfs/dbraw/zinc/02/45/58/353024558.db2.gz FHRFCZSREDVPGA-UHFFFAOYSA-N 0 0 218.281 2.386 10 0 BEAERN COc1ccc(N)c(F)c1C(F)(F)F ZINC000306663487 353032945 /nfs/dbraw/zinc/03/29/45/353032945.db2.gz VQFAZVMICBLYTA-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1ccc(SC)nn1 ZINC000306210554 352994853 /nfs/dbraw/zinc/99/48/53/352994853.db2.gz ISFUNPNNNFJAAU-HTQZYQBOSA-N 0 0 209.318 2.409 10 0 BEAERN Nc1cc(Cl)c(F)cc1N1CCC1 ZINC000307702426 353011487 /nfs/dbraw/zinc/01/14/87/353011487.db2.gz UDMCCHOYYOAWMX-UHFFFAOYSA-N 0 0 200.644 2.271 10 0 BEAERN CC(=O)c1c(F)cc([O-])cc1Br ZINC000307408091 353074567 /nfs/dbraw/zinc/07/45/67/353074567.db2.gz FGUZOKKAIKGSRB-UHFFFAOYSA-N 0 0 233.036 2.496 10 0 BEAERN ON[C@H](c1ccccc1F)C(F)(F)F ZINC000306874225 353043327 /nfs/dbraw/zinc/04/33/27/353043327.db2.gz ZJONBCYTHDQPDJ-SSDOTTSWSA-N 0 0 209.142 2.408 10 0 BEAERN C[C@@]1(c2nc(Br)ns2)C[C@H]1F ZINC000306951063 353047327 /nfs/dbraw/zinc/04/73/27/353047327.db2.gz LKHYPECHZQKZHE-AWFVSMACSA-N 0 0 237.097 2.300 10 0 BEAERN C[C@@H]1C[C@@H](n2ncc(Br)c2N)[C@@H]1C ZINC000307074562 353053386 /nfs/dbraw/zinc/05/33/86/353053386.db2.gz NBPOUXGGZFWYSM-ATRFCDNQSA-N 0 0 244.136 2.445 10 0 BEAERN Cc1ccccc1N(C)C1=NC(=O)CS1 ZINC000307716348 353108052 /nfs/dbraw/zinc/10/80/52/353108052.db2.gz HRDZRHHECTWAMT-UHFFFAOYSA-N 0 0 220.297 2.061 10 0 BEAERN Cc1cc(C(=O)c2cscn2)sn1 ZINC000307729491 353115046 /nfs/dbraw/zinc/11/50/46/353115046.db2.gz FYKATGPZIAMCIC-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN O=Cc1c(Br)cccc1N1CCC1 ZINC000307560000 353084538 /nfs/dbraw/zinc/08/45/38/353084538.db2.gz GVCBZUWQNCQSGP-UHFFFAOYSA-N 0 0 240.100 2.472 10 0 BEAERN Cn1nccc1CNC(=O)CCCC(C)(C)C ZINC000103429934 180842217 /nfs/dbraw/zinc/84/22/17/180842217.db2.gz KIWWBQUOEFCRSH-UHFFFAOYSA-N 0 0 237.347 2.253 10 0 BEAERN CC1CCC(C(=O)c2cncnc2)CC1 ZINC000052886728 353126780 /nfs/dbraw/zinc/12/67/80/353126780.db2.gz QKIQQJFBUIQWBW-UHFFFAOYSA-N 0 0 204.273 2.486 10 0 BEAERN Cc1ccn(-c2ccc(C=O)c(C)c2)n1 ZINC000052884534 353127478 /nfs/dbraw/zinc/12/74/78/353127478.db2.gz WJFNHBQPSFKETH-UHFFFAOYSA-N 0 0 200.241 2.302 10 0 BEAERN CC(C)(O)C(=O)Cc1ccc(F)cc1Cl ZINC000232555175 353127953 /nfs/dbraw/zinc/12/79/53/353127953.db2.gz JFFCANZHHZIXRJ-UHFFFAOYSA-N 0 0 230.666 2.362 10 0 BEAERN CSC1(CNc2cncnc2)CCC1 ZINC000307756899 353130481 /nfs/dbraw/zinc/13/04/81/353130481.db2.gz JIQQXIQBPODLFX-UHFFFAOYSA-N 0 0 209.318 2.174 10 0 BEAERN CC(=O)[C@H]1C[C@H]1c1ncc(Cl)s1 ZINC000223111977 353137826 /nfs/dbraw/zinc/13/78/26/353137826.db2.gz BMLJCMSWKPNHIW-PHDIDXHHSA-N 0 0 201.678 2.489 10 0 BEAERN Cc1cc(=S)[nH]c([C@H]2CCSC2)n1 ZINC000405184871 353139647 /nfs/dbraw/zinc/13/96/47/353139647.db2.gz HQLDDCLOLZLOAV-ZETCQYMHSA-N 0 0 212.343 2.294 10 0 BEAERN Clc1nncn1CC1CCSCC1 ZINC000229396501 353145504 /nfs/dbraw/zinc/14/55/04/353145504.db2.gz PGYOTWIBXOUMEO-UHFFFAOYSA-N 0 0 217.725 2.075 10 0 BEAERN CC(C)C[C@H](C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000360951879 188070793 /nfs/dbraw/zinc/07/07/93/188070793.db2.gz UHHSRKIOSKSGHE-WDEREUQCSA-N 0 0 229.364 2.192 10 0 BEAERN Cc1nc(Nc2cccc(F)c2)[nH]c(=O)c1C ZINC000057330669 188086377 /nfs/dbraw/zinc/08/63/77/188086377.db2.gz PPRQDEUZEDJMBE-UHFFFAOYSA-N 0 0 233.246 2.269 10 0 BEAERN CC(C)NC(=O)Cc1ccc([S-])cc1 ZINC000232646272 353152220 /nfs/dbraw/zinc/15/22/20/353152220.db2.gz RCQOZPIGAIUIJU-UHFFFAOYSA-N 0 0 209.314 2.042 10 0 BEAERN c1ccc2c(c1)OCC[C@H]2[NH2+]CC1=CCCOC1 ZINC000175665129 188079762 /nfs/dbraw/zinc/07/97/62/188079762.db2.gz AYCZCLIYPUPYFE-CQSZACIVSA-N 0 0 245.322 2.447 10 0 BEAERN CC1(C)CCC(C[C@@H](C[NH3+])C(=O)[O-])CC1 ZINC000308914031 538108878 /nfs/dbraw/zinc/10/88/78/538108878.db2.gz NHBDQNBNSXQTRO-JTQLQIEISA-N 0 0 213.321 2.252 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000126664315 188085339 /nfs/dbraw/zinc/08/53/39/188085339.db2.gz ZLPWSTXALIJISN-MXWKQRLJSA-N 0 0 241.306 2.324 10 0 BEAERN CC(=O)Cc1nc(-c2ccccc2F)no1 ZINC000045895048 188085521 /nfs/dbraw/zinc/08/55/21/188085521.db2.gz MJKPAIQZLJBCMZ-UHFFFAOYSA-N 0 0 220.203 2.007 10 0 BEAERN Cc1ccc(CC(=O)NC[C@@H](O)C(C)(C)C)cc1 ZINC000268711538 188089307 /nfs/dbraw/zinc/08/93/07/188089307.db2.gz MDMLJBKZWYBLEU-CYBMUJFWSA-N 0 0 249.354 2.061 10 0 BEAERN CC(C)(c1cccnc1)[C@H](O)c1cccnc1 ZINC000005138214 188096437 /nfs/dbraw/zinc/09/64/37/188096437.db2.gz DDFNHFXLQJLFSX-CYBMUJFWSA-N 0 0 228.295 2.488 10 0 world BEAERN Cc1ccc(OCCCc2nnc(N)s2)cc1 ZINC000020336560 188098262 /nfs/dbraw/zinc/09/82/62/188098262.db2.gz KHGIGNIRJHGKMD-UHFFFAOYSA-N 0 0 249.339 2.440 10 0 BEAERN CC(C)[C@@H](C)Nc1nc(Cl)ncc1N ZINC000232676048 353163448 /nfs/dbraw/zinc/16/34/48/353163448.db2.gz XMEGXFQAKDMTFN-ZCFIWIBFSA-N 0 0 214.700 2.169 10 0 BEAERN C[C@@H]1CO[C@H](c2c(F)cccc2F)C[NH2+]1 ZINC000036986486 188105279 /nfs/dbraw/zinc/10/52/79/188105279.db2.gz WMVBIWWNGZIJEU-XCBNKYQSSA-N 0 0 213.227 2.014 10 0 BEAERN Clc1nc2c(cc1Br)OCCN2 ZINC000261507746 188087685 /nfs/dbraw/zinc/08/76/85/188087685.db2.gz LXCIGUYYLDNJJD-UHFFFAOYSA-N 0 0 249.495 2.302 10 0 BEAERN CNc1ccc(C(=O)N(C)C(C)C)s1 ZINC000261529001 188087750 /nfs/dbraw/zinc/08/77/50/188087750.db2.gz ZCIAVCBPHYVRRY-UHFFFAOYSA-N 0 0 212.318 2.270 10 0 BEAERN CC(C)C[C@H]1Nc2ccccc2NC1=O ZINC000019045524 188107100 /nfs/dbraw/zinc/10/71/00/188107100.db2.gz VVQMXBDKNOVZGW-LLVKDONJSA-N 0 0 204.273 2.465 10 0 BEAERN CC(=O)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000019411661 188107724 /nfs/dbraw/zinc/10/77/24/188107724.db2.gz YKGMNWDGZOXMNM-AWEZNQCLSA-N 0 0 231.295 2.233 10 0 BEAERN CC(=O)CC(=O)Nc1ccc(F)cc1Cl ZINC000019409105 188107846 /nfs/dbraw/zinc/10/78/46/188107846.db2.gz BTDKJKIPSOVVNR-UHFFFAOYSA-N 0 0 229.638 2.397 10 0 BEAERN NCC(=O)c1cc2cc(Cl)ccc2o1 ZINC000020390021 188108405 /nfs/dbraw/zinc/10/84/05/188108405.db2.gz RIWGXMPUBFCQGL-UHFFFAOYSA-N 0 0 209.632 2.228 10 0 BEAERN Cc1cccc(C(=O)Nc2ccc(F)c(N)c2)n1 ZINC000022165585 188109063 /nfs/dbraw/zinc/10/90/63/188109063.db2.gz UEYDPBAJCFCOMU-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CC(C)(CO)Nc1ccc(N)cc1Cl ZINC000035600067 188111532 /nfs/dbraw/zinc/11/15/32/188111532.db2.gz FECOFZUTAGZBSX-UHFFFAOYSA-N 0 0 214.696 2.105 10 0 BEAERN Cc1nccn1-c1ccc(N)c2ncccc12 ZINC000035340821 188111746 /nfs/dbraw/zinc/11/17/46/188111746.db2.gz SZCJZWSBNHGFIC-UHFFFAOYSA-N 0 0 224.267 2.311 10 0 BEAERN CC(C)COc1cc2c(cc1N)CCC(=O)N2 ZINC000035356157 188111775 /nfs/dbraw/zinc/11/17/75/188111775.db2.gz HVGZFGIGUFVSBG-UHFFFAOYSA-N 0 0 234.299 2.188 10 0 BEAERN CC(C)[C@H](C)N(C)c1ccc(N)c2nonc21 ZINC000036787096 188112416 /nfs/dbraw/zinc/11/24/16/188112416.db2.gz NPMXDEGRRIPQRN-QMMMGPOBSA-N 0 0 234.303 2.286 10 0 BEAERN Cc1oncc1C(=O)N[C@@H](C)c1ccccc1N ZINC000037178049 188113290 /nfs/dbraw/zinc/11/32/90/188113290.db2.gz VIOPCLQWABFFBJ-QMMMGPOBSA-N 0 0 245.282 2.056 10 0 BEAERN CC(=O)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000037839205 188115090 /nfs/dbraw/zinc/11/50/90/188115090.db2.gz GPRNDTGMOHRNQB-JTQLQIEISA-N 0 0 237.274 2.324 10 0 BEAERN CC(C)(CO)Nc1ccc(N)cc1C(F)(F)F ZINC000037754555 188115357 /nfs/dbraw/zinc/11/53/57/188115357.db2.gz DPVBZJKAKGGZEO-UHFFFAOYSA-N 0 0 248.248 2.470 10 0 BEAERN CC1(C)Nc2c(F)c(F)ccc2NC1=O ZINC000076643901 188116675 /nfs/dbraw/zinc/11/66/75/188116675.db2.gz MESXQNXLLUBBOU-UHFFFAOYSA-N 0 0 212.199 2.107 10 0 BEAERN CCC[C@H]1CCC(=O)[C@H](C(OC)OC)C1 ZINC000121999356 538110264 /nfs/dbraw/zinc/11/02/64/538110264.db2.gz TVCIQASSZCMFMO-VHSXEESVSA-N 0 0 214.305 2.391 10 0 BEAERN CCOC(OCC)[C@@H]1C[C@@H](C)CCC1=O ZINC000121995986 538110267 /nfs/dbraw/zinc/11/02/67/538110267.db2.gz ULDPLXGGGQASCW-VHSXEESVSA-N 0 0 214.305 2.391 10 0 BEAERN COC(OC)[C@H](C)C(=O)c1cccs1 ZINC000121991698 538110283 /nfs/dbraw/zinc/11/02/83/538110283.db2.gz QOXRKKQAZTVCIN-SSDOTTSWSA-N 0 0 214.286 2.186 10 0 BEAERN COCCn1cnc2cc(Cl)ccc21 ZINC000040404583 188118545 /nfs/dbraw/zinc/11/85/45/188118545.db2.gz IVDGZEOJNJQEPG-UHFFFAOYSA-N 0 0 210.664 2.336 10 0 BEAERN C[C@@H]1CNc2ccc(Cl)cc2NC1=O ZINC000039224538 188120002 /nfs/dbraw/zinc/12/00/02/188120002.db2.gz HDLCSOQJXLBNLK-ZCFIWIBFSA-N 0 0 210.664 2.340 10 0 BEAERN CC(C)N(CCCO)c1c(F)cc(N)cc1F ZINC000042500107 188120462 /nfs/dbraw/zinc/12/04/62/188120462.db2.gz KYGORSKYDGSBBD-UHFFFAOYSA-N 0 0 244.285 2.144 10 0 BEAERN C[C@H](Nc1cncc(Cl)n1)[C@H]1CCCO1 ZINC000043537746 188121773 /nfs/dbraw/zinc/12/17/73/188121773.db2.gz YUBXEUWQUDBPCZ-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN CC(C)=CC[C@H]1C(=O)c2ccccc2[C@@H](O)[C@@H]1O ZINC000013459848 188105651 /nfs/dbraw/zinc/10/56/51/188105651.db2.gz PURPSZILBYSJEM-NWANDNLSSA-N 0 0 246.306 2.250 10 0 biogenic BEAERN CC(C)C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000091353175 188144330 /nfs/dbraw/zinc/14/43/30/188144330.db2.gz AUMRFKQAZLPMFC-UHFFFAOYSA-N 0 0 227.304 2.078 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)NCCc1ccsc1 ZINC000049189015 188124424 /nfs/dbraw/zinc/12/44/24/188124424.db2.gz SHJQCOYVHRBVOT-UHFFFAOYSA-N 0 0 249.339 2.061 10 0 BEAERN CCOC(=O)[C@@H](C)NCCCc1ccccc1 ZINC000049370180 188124874 /nfs/dbraw/zinc/12/48/74/188124874.db2.gz DWHQVLLOQZVGEU-GFCCVEGCSA-N 0 0 235.327 2.160 10 0 BEAERN CC(=O)c1ccc(O[C@H](C)[C@H](C)O)cc1 ZINC000087131010 188126149 /nfs/dbraw/zinc/12/61/49/188126149.db2.gz VLIRNNDHUNXAGU-WCBMZHEXSA-N 0 0 208.257 2.037 10 0 BEAERN Cc1nn(Cc2cccnc2N)c(C)c1Cl ZINC000052733611 188126219 /nfs/dbraw/zinc/12/62/19/188126219.db2.gz IYOQOXBKISELQL-UHFFFAOYSA-N 0 0 236.706 2.179 10 0 BEAERN CCCn1cnnc1-c1cc(C)ccc1N ZINC000054497939 188127479 /nfs/dbraw/zinc/12/74/79/188127479.db2.gz WBVZUJOKXSEUBM-UHFFFAOYSA-N 0 0 216.288 2.246 10 0 BEAERN CCc1ccc(C[C@@H](O)c2cn[nH]c2)s1 ZINC000309122487 538110500 /nfs/dbraw/zinc/11/05/00/538110500.db2.gz UWXFFSYTXVXVLO-LLVKDONJSA-N 0 0 222.313 2.310 10 0 BEAERN CCc1nccn1-c1ccc(C=O)cc1 ZINC000042419936 188132055 /nfs/dbraw/zinc/13/20/55/188132055.db2.gz YPZOJEVDUBICBM-UHFFFAOYSA-N 0 0 200.241 2.247 10 0 BEAERN CC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1C ZINC000072415730 188132110 /nfs/dbraw/zinc/13/21/10/188132110.db2.gz JWAZVTFATCMWPW-UHFFFAOYSA-N 0 0 240.266 2.260 10 0 BEAERN CC(=O)c1c(Br)cnn1C1CC1 ZINC000075844521 188132567 /nfs/dbraw/zinc/13/25/67/188132567.db2.gz DULZDKIYBBVQDM-UHFFFAOYSA-N 0 0 229.077 2.183 10 0 BEAERN COC[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000103359232 188150990 /nfs/dbraw/zinc/15/09/90/188150990.db2.gz NHTXDKJDLRPNRZ-JTQLQIEISA-N 0 0 239.290 2.067 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@H+](Cc1ccco1)C1CC1 ZINC000104273684 188151204 /nfs/dbraw/zinc/15/12/04/188151204.db2.gz AAPULXBHODETDG-JXMROGBWSA-N 0 0 235.283 2.275 10 0 BEAERN CCc1nccn1-c1cc(C(C)C)ncn1 ZINC000104291830 188151299 /nfs/dbraw/zinc/15/12/99/188151299.db2.gz SZEGUWFSMBEAAG-UHFFFAOYSA-N 0 0 216.288 2.348 10 0 BEAERN O=C([O-])c1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000075869122 188156728 /nfs/dbraw/zinc/15/67/28/188156728.db2.gz WZMCLPOONMWUFX-LLVKDONJSA-N 0 0 205.257 2.199 10 0 BEAERN CC(C)[C@@](C)([NH2+]C1CCCCC1)C(=O)[O-] ZINC000052883904 188158700 /nfs/dbraw/zinc/15/87/00/188158700.db2.gz DLIDZSPXPRLUMK-GFCCVEGCSA-N 0 0 213.321 2.408 10 0 BEAERN CC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C ZINC000002562263 188159599 /nfs/dbraw/zinc/15/95/99/188159599.db2.gz GCCVRCZMVYRDCO-LDYMZIIASA-N 0 0 219.240 2.115 10 0 BEAERN COC[C@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000103378118 188160985 /nfs/dbraw/zinc/16/09/85/188160985.db2.gz XHKMBWCQSZQGQP-LBPRGKRZSA-N 0 0 229.364 2.410 10 0 BEAERN CC(C)(O)c1cc2cc(C=O)ccc2o1 ZINC000013461695 188165891 /nfs/dbraw/zinc/16/58/91/188165891.db2.gz AUICRIQYGBSWOB-UHFFFAOYSA-N 0 0 204.225 2.473 10 0 BEAERN CCOC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000106931642 188167162 /nfs/dbraw/zinc/16/71/62/188167162.db2.gz PJGRLHKICHVEIJ-RYUDHWBXSA-N 0 0 220.268 2.362 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccccc1 ZINC000190219796 188172178 /nfs/dbraw/zinc/17/21/78/188172178.db2.gz RQGIMAVWROMVME-OCCSQVGLSA-N 0 0 247.338 2.460 10 0 BEAERN CNc1cc(Br)c(OC2CC2)cn1 ZINC000095728777 188147196 /nfs/dbraw/zinc/14/71/96/188147196.db2.gz ZVFSPRLNVRSTMR-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN Clc1nc2c(s1)CC1(CC2)OCCO1 ZINC000095883537 188148224 /nfs/dbraw/zinc/14/82/24/188148224.db2.gz IFKIMCFOWSTCTG-UHFFFAOYSA-N 0 0 231.704 2.028 10 0 BEAERN CC1(C)OC(=O)[C@@]12CCCN2Cc1ccccc1 ZINC000095937721 188148306 /nfs/dbraw/zinc/14/83/06/188148306.db2.gz USZNNIUWSPWPBE-HNNXBMFYSA-N 0 0 245.322 2.357 10 0 BEAERN CCC(C)(CC)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000134532649 538112957 /nfs/dbraw/zinc/11/29/57/538112957.db2.gz OQQOTCXQDDLFHT-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN CCNc1cccc(C(=O)NC2CC2)c1 ZINC000020129602 188175142 /nfs/dbraw/zinc/17/51/42/188175142.db2.gz VWOBOLKQKIZQDW-UHFFFAOYSA-N 0 0 204.273 2.011 10 0 BEAERN CC(C)[C@H](C)NC(=O)CC[C@H]1CCCCO1 ZINC000110167155 188176068 /nfs/dbraw/zinc/17/60/68/188176068.db2.gz WIDAJISLZCROTK-NWDGAFQWSA-N 0 0 227.348 2.496 10 0 BEAERN C[Si](C)(C)CCOCn1ccc(=O)cc1 ZINC000196618508 188177761 /nfs/dbraw/zinc/17/77/61/188177761.db2.gz QBAHMHIAUAIROA-UHFFFAOYSA-N 0 0 225.364 2.161 10 0 BEAERN Cc1c(=O)[nH]sc1-c1ccccc1O ZINC000082939441 188178296 /nfs/dbraw/zinc/17/82/96/188178296.db2.gz UUFNQNARLKIGQC-UHFFFAOYSA-N 0 0 207.254 2.117 10 0 BEAERN CN[C@H](c1cscn1)C1=COCCC1 ZINC000160139356 353254878 /nfs/dbraw/zinc/25/48/78/353254878.db2.gz KFWXFTLSNKNYPK-JTQLQIEISA-N 0 0 210.302 2.098 10 0 BEAERN CC(C)[C@H](C)N(C)c1ncnc(Cl)c1N ZINC000062362811 188184542 /nfs/dbraw/zinc/18/45/42/188184542.db2.gz UQBBAFGJQZLTSG-ZETCQYMHSA-N 0 0 228.727 2.193 10 0 BEAERN Cc1cc(N)n([C@@H](C)Cc2ccco2)n1 ZINC000062772187 188185414 /nfs/dbraw/zinc/18/54/14/188185414.db2.gz CMHIDTOXQCJGLR-VIFPVBQESA-N 0 0 205.261 2.170 10 0 BEAERN CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)[O-] ZINC000125698294 188190583 /nfs/dbraw/zinc/19/05/83/188190583.db2.gz HANXBTUHYJJZBE-AXFHLTTASA-N 0 0 213.321 2.264 10 0 BEAERN CC(C)=CCNCc1nnc2n1CCCCC2 ZINC000236733578 188191123 /nfs/dbraw/zinc/19/11/23/188191123.db2.gz DBLIRMSNKAHQCM-UHFFFAOYSA-N 0 0 234.347 2.060 10 0 BEAERN Cc1cnc(Br)cc1N(C)C ZINC000299890411 188216255 /nfs/dbraw/zinc/21/62/55/188216255.db2.gz ZHGVQYKLRMAUPD-UHFFFAOYSA-N 0 0 215.094 2.219 10 0 BEAERN C[C@@H](O)c1ccc(OC(F)F)c(F)c1 ZINC000127094526 353261237 /nfs/dbraw/zinc/26/12/37/353261237.db2.gz JWXOXMMKSHVPOR-RXMQYKEDSA-N 0 0 206.163 2.480 10 0 BEAERN Cc1sccc1[C@H](O)[C@H](O)C(C)C ZINC000232711502 353265175 /nfs/dbraw/zinc/26/51/75/353265175.db2.gz TYOLQOWVHLWPJF-ZJUUUORDSA-N 0 0 200.303 2.107 10 0 BEAERN C1CC1N1CCC[C@@H]1c1nc([C@@H]2CCCO2)no1 ZINC000329572843 188226160 /nfs/dbraw/zinc/22/61/60/188226160.db2.gz JGUFPMHJUJPZSZ-MNOVXSKESA-N 0 0 249.314 2.220 10 0 BEAERN OC1CC(C[NH2+]Cc2sccc2Cl)C1 ZINC000308465805 353334031 /nfs/dbraw/zinc/33/40/31/353334031.db2.gz GYKQBFINARNNTQ-UHFFFAOYSA-N 0 0 231.748 2.262 10 0 BEAERN CC(C)[C@@H](C)Nc1cc(CO)c(F)cn1 ZINC000308849515 491049026 /nfs/dbraw/zinc/04/90/26/491049026.db2.gz NQTYKFACCLKJNP-MRVPVSSYSA-N 0 0 212.268 2.169 10 0 BEAERN F[C@@H]1CC[C@H](Nc2ncncc2Cl)C1 ZINC000306353831 180943852 /nfs/dbraw/zinc/94/38/52/180943852.db2.gz QJVCZQKSXBIZDL-RQJHMYQMSA-N 0 0 215.659 2.433 10 0 BEAERN Clc1cnc([C@H]2NCCS2)s1 ZINC000223218866 353364493 /nfs/dbraw/zinc/36/44/93/353364493.db2.gz XYEJTUODSMHHSP-YFKPBYRVSA-N 0 0 206.723 2.132 10 0 BEAERN CON(C)Cc1ccc(N)c(Br)c1 ZINC000165562383 353387748 /nfs/dbraw/zinc/38/77/48/353387748.db2.gz YALVVNOTCMTKNC-UHFFFAOYSA-N 0 0 245.120 2.025 10 0 BEAERN CC1(C)C[C@H]1C(=O)Nc1nccnc1Cl ZINC000232785328 353418651 /nfs/dbraw/zinc/41/86/51/353418651.db2.gz BVTYWCYDNJBJIB-LURJTMIESA-N 0 0 225.679 2.115 10 0 BEAERN Fc1ccc(C2N=NC(=S)N2)cc1F ZINC000036948340 180960241 /nfs/dbraw/zinc/96/02/41/180960241.db2.gz QFKJTEBOODFAKI-UHFFFAOYSA-N 0 0 213.212 2.039 10 0 BEAERN Brc1nsc(C[C@@H]2CCCO2)n1 ZINC000230109235 353467325 /nfs/dbraw/zinc/46/73/25/353467325.db2.gz WUZOKVXNGOZOFJ-YFKPBYRVSA-N 0 0 249.133 2.022 10 0 BEAERN Fc1cnccc1-c1nc(Cl)ns1 ZINC000230113151 353467442 /nfs/dbraw/zinc/46/74/42/353467442.db2.gz JVZGOTKSUJNVKI-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN Cc1c2[nH]cc(N)c2ncc1Br ZINC000095845505 353588521 /nfs/dbraw/zinc/58/85/21/353588521.db2.gz RATUECXTSJBRAO-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN CC(=O)CCC(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000374358113 188431318 /nfs/dbraw/zinc/43/13/18/188431318.db2.gz ATGRNNMKSYYOAI-RYUDHWBXSA-N 0 0 223.316 2.147 10 0 BEAERN Fc1ccc(Oc2ncnc3[nH]cnc32)cc1 ZINC000013608559 180981325 /nfs/dbraw/zinc/98/13/25/180981325.db2.gz MKVPJTUEHCTEHN-UHFFFAOYSA-N 0 0 230.202 2.284 10 0 BEAERN CC(=O)CCN1c2ccccc2C[C@H]1C ZINC000057491873 188483987 /nfs/dbraw/zinc/48/39/87/188483987.db2.gz IAIKIAHNDJSTGX-SNVBAGLBSA-N 0 0 203.285 2.417 10 0 BEAERN CC[C@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000194871459 353702464 /nfs/dbraw/zinc/70/24/64/353702464.db2.gz UADUCRMAAADTAY-GXSJLCMTSA-N 0 0 219.284 2.282 10 0 BEAERN O=[N+]([O-])c1ccccc1C1(CO)CCCC1 ZINC000383508893 353706103 /nfs/dbraw/zinc/70/61/03/353706103.db2.gz DTSDZRKLOIOQOX-UHFFFAOYSA-N 0 0 221.256 2.399 10 0 BEAERN Cc1cccc([C@@H]2Cc3n[nH]cc3[C@@H](O)C2)c1 ZINC000072415148 188490650 /nfs/dbraw/zinc/49/06/50/188490650.db2.gz YIOZUUUIVBBTSO-RISCZKNCSA-N 0 0 228.295 2.482 10 0 BEAERN Fc1cccc(F)c1NCc1ncc[nH]1 ZINC000049714796 181001261 /nfs/dbraw/zinc/00/12/61/181001261.db2.gz ZYUYFFCBNPKHCE-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN Fc1cccc(NCc2ccncn2)c1 ZINC000054788647 181001866 /nfs/dbraw/zinc/00/18/66/181001866.db2.gz HOZPXMKPUWEBCR-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN CC(=O)c1ccc(OCCC(=O)NC(C)C)cc1 ZINC000051099851 188482718 /nfs/dbraw/zinc/48/27/18/188482718.db2.gz PEWQAKSBTHLANK-UHFFFAOYSA-N 0 0 249.310 2.183 10 0 BEAERN CC1(CNc2ncnc(Cl)c2C=O)CC1 ZINC000232841385 353784652 /nfs/dbraw/zinc/78/46/52/353784652.db2.gz PTUFNMFOCAHRMX-UHFFFAOYSA-N 0 0 225.679 2.155 10 0 BEAERN Fc1ccccc1-n1nccc1-c1ncccn1 ZINC000072190522 181010187 /nfs/dbraw/zinc/01/01/87/181010187.db2.gz ZPKILXWCEZMCNS-UHFFFAOYSA-N 0 0 240.241 2.468 10 0 BEAERN NN[C@@H](C1CC1)C1CCC(F)(F)CC1 ZINC000097747929 353742460 /nfs/dbraw/zinc/74/24/60/353742460.db2.gz QTTNJMJSBWODQX-VIFPVBQESA-N 0 0 204.264 2.054 10 0 BEAERN CCOC(=O)c1ccccc1CNC(F)(F)F ZINC000095091707 188500184 /nfs/dbraw/zinc/50/01/84/188500184.db2.gz GWEOVFHOUCSXST-UHFFFAOYSA-N 0 0 247.216 2.473 10 0 BEAERN CSC[C@@H](C)c1nnc2cc(Cl)ncn21 ZINC000300981534 363260927 /nfs/dbraw/zinc/26/09/27/363260927.db2.gz SCFHEPNRLRVBQE-ZCFIWIBFSA-N 0 0 242.735 2.244 10 0 BEAERN Fc1ccnc2[nH]cc(-c3ccncn3)c21 ZINC000095936976 181017420 /nfs/dbraw/zinc/01/74/20/181017420.db2.gz PIALOBRNTBJTLD-UHFFFAOYSA-N 0 0 214.203 2.159 10 0 BEAERN CCNc1ccccc1C(=O)NC(C)C ZINC000050725051 188510737 /nfs/dbraw/zinc/51/07/37/188510737.db2.gz DKSMBIRRFQHFFK-UHFFFAOYSA-N 0 0 206.289 2.257 10 0 BEAERN Cn1c(Cl)cnc1-c1ncc(C=O)s1 ZINC000300994297 363269926 /nfs/dbraw/zinc/26/99/26/363269926.db2.gz JSWDRXHBCKWORP-UHFFFAOYSA-N 0 0 227.676 2.010 10 0 BEAERN Cc1ccc2c(c1)N1C(=O)CC[C@@]1(C)N2 ZINC000028013763 188537678 /nfs/dbraw/zinc/53/76/78/188537678.db2.gz WGEVGPGMGLSOMI-LBPRGKRZSA-N 0 0 202.257 2.264 10 0 BEAERN CCN(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111890484 188542510 /nfs/dbraw/zinc/54/25/10/188542510.db2.gz WZBZTGYSNHTBDK-CHWSQXEVSA-N 0 0 232.327 2.451 10 0 BEAERN O=C(C1CCCC1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334567325 354089974 /nfs/dbraw/zinc/08/99/74/354089974.db2.gz TWTAFIMXQOCGOZ-OLZOCXBDSA-N 0 0 249.354 2.204 10 0 BEAERN Cc1cnc([C@@H](C)NCCOC(C)C)o1 ZINC000230643090 363315977 /nfs/dbraw/zinc/31/59/77/363315977.db2.gz UNQGZPPMRIVCCT-SNVBAGLBSA-N 0 0 212.293 2.059 10 0 BEAERN C[C@H]1CC[C@H](c2nc(-c3ncon3)no2)C1 ZINC000329634203 188586433 /nfs/dbraw/zinc/58/64/33/188586433.db2.gz XLKHKVRXFVZWSO-BQBZGAKWSA-N 0 0 220.232 2.023 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nccc(OC)n1 ZINC000231663807 363347522 /nfs/dbraw/zinc/34/75/22/363347522.db2.gz DFWLIGMAWWSVQK-RKDXNWHRSA-N 0 0 207.277 2.086 10 0 BEAERN CCn1c(C)nnc1CS[C@H]1CCO[C@@H]1C ZINC000178854446 366172396 /nfs/dbraw/zinc/17/23/96/366172396.db2.gz RGEZHVSWXIWCCI-SCZZXKLOSA-N 0 0 241.360 2.017 10 0 BEAERN Cc1cc(C)c(C(=O)N2[C@@H](C)COC[C@@H]2C)o1 ZINC000334641179 354397284 /nfs/dbraw/zinc/39/72/84/354397284.db2.gz MWBVNCONYRBNKI-UWVGGRQHSA-N 0 0 237.299 2.146 10 0 BEAERN Fc1ccc(N2CC3(CCC3)[C@@H]3COC[C@H]32)nc1 ZINC000334645493 354434887 /nfs/dbraw/zinc/43/48/87/354434887.db2.gz QEKBPWYEWPKTJL-VXGBXAGGSA-N 0 0 248.301 2.226 10 0 BEAERN CC1(C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)CCC1 ZINC000334751022 354476074 /nfs/dbraw/zinc/47/60/74/354476074.db2.gz MLOZXTYQGXIGBL-RYUDHWBXSA-N 0 0 249.354 2.204 10 0 BEAERN Cc1sccc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000334742372 354545946 /nfs/dbraw/zinc/54/59/46/354545946.db2.gz FPYUUKFBOZTLFP-DTORHVGOSA-N 0 0 239.340 2.306 10 0 BEAERN Cc1sccc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000334742374 354546052 /nfs/dbraw/zinc/54/60/52/354546052.db2.gz FPYUUKFBOZTLFP-RKDXNWHRSA-N 0 0 239.340 2.306 10 0 BEAERN C[C@@H]1COCC[C@@H]1C(=O)[C@H]1CCCS1 ZINC000301049828 363381805 /nfs/dbraw/zinc/38/18/05/363381805.db2.gz ZRCRGFYBTIXHPO-KXUCPTDWSA-N 0 0 214.330 2.124 10 0 BEAERN CC[C@H](C)NC(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000346048173 354844487 /nfs/dbraw/zinc/84/44/87/354844487.db2.gz NCLBNJCSIKTIFT-DCAQKATOSA-N 0 0 242.363 2.288 10 0 BEAERN CC1CCC(CC(=O)N2CCCOCC2)CC1 ZINC000335977759 134032370 /nfs/dbraw/zinc/03/23/70/134032370.db2.gz NNHJQVKLSLJKFF-UHFFFAOYSA-N 0 0 239.359 2.452 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1C[C@@H]1C ZINC000413058018 191351496 /nfs/dbraw/zinc/35/14/96/191351496.db2.gz ZIVMEERQOMRBPT-UWVGGRQHSA-N 0 0 205.305 2.090 10 0 BEAERN CC(C)c1nccnc1NCCC[C@H](C)CO ZINC000413202579 191363119 /nfs/dbraw/zinc/36/31/19/191363119.db2.gz GZFFZFGRKAJTKZ-NSHDSACASA-N 0 0 237.347 2.421 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CCOC(C)(C)C1 ZINC000413200979 191363274 /nfs/dbraw/zinc/36/32/74/191363274.db2.gz KODFKQVNKXYEIE-LLVKDONJSA-N 0 0 249.358 2.391 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@H]1C[C@H](C)O ZINC000413203161 191363352 /nfs/dbraw/zinc/36/33/52/191363352.db2.gz LXXSSBBQNRHQBM-RYUDHWBXSA-N 0 0 249.358 2.340 10 0 BEAERN CC(C)c1nccnc1N1CCC[C@@H]1C[C@H](C)O ZINC000413203159 191363749 /nfs/dbraw/zinc/36/37/49/191363749.db2.gz LXXSSBBQNRHQBM-NWDGAFQWSA-N 0 0 249.358 2.340 10 0 BEAERN CC(C)c1nccnc1NCCC(C)(C)CO ZINC000413326265 191368009 /nfs/dbraw/zinc/36/80/09/191368009.db2.gz LDZHKEGADQWBKX-UHFFFAOYSA-N 0 0 237.347 2.421 10 0 BEAERN CC(C)c1nccnc1NCCC1CC(O)C1 ZINC000413274571 191368301 /nfs/dbraw/zinc/36/83/01/191368301.db2.gz ZONDPIYEEQUYSW-UHFFFAOYSA-N 0 0 235.331 2.173 10 0 BEAERN COC1(CNc2nccnc2C(C)C)CCCC1 ZINC000413294961 191368665 /nfs/dbraw/zinc/36/86/65/191368665.db2.gz BCCWSBYVXYDDPO-UHFFFAOYSA-N 0 0 249.358 2.393 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CSC1(C)C ZINC000413303668 191369810 /nfs/dbraw/zinc/36/98/10/191369810.db2.gz YQKRNCVHLPHBJU-SECBINFHSA-N 0 0 237.372 2.328 10 0 BEAERN CC(C)c1nccnc1NCC[C@@H](C)CCO ZINC000413324457 191372147 /nfs/dbraw/zinc/37/21/47/191372147.db2.gz JLXNMEXXLYEKOL-LLVKDONJSA-N 0 0 237.347 2.421 10 0 BEAERN CC(C)c1nccnc1NC[C@@H]1CC[C@@H](C)O1 ZINC000413369772 191377560 /nfs/dbraw/zinc/37/75/60/191377560.db2.gz BUUTYGIPKDEENK-MNOVXSKESA-N 0 0 235.331 2.001 10 0 BEAERN CSc1nc2ncnc(NCC=C(C)C)c2[nH]1 ZINC000002581952 355300147 /nfs/dbraw/zinc/30/01/47/355300147.db2.gz BJHLVZKNVOGCDV-UHFFFAOYSA-N 0 0 249.343 2.453 10 0 BEAERN CC1(CNc2cc(Br)ncn2)CC1 ZINC000233037424 355320404 /nfs/dbraw/zinc/32/04/04/355320404.db2.gz JKIQMWJUAIDTBQ-UHFFFAOYSA-N 0 0 242.120 2.451 10 0 BEAERN COc1ccc(C)c(Br)c1N ZINC000215835818 355370169 /nfs/dbraw/zinc/37/01/69/355370169.db2.gz QLMATXYSLBOKEO-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN C[C@H]1OCC(=O)[C@H]1CC=C(Cl)Cl ZINC000405911226 355380867 /nfs/dbraw/zinc/38/08/67/355380867.db2.gz ZKXJNRDUUQWJKB-RITPCOANSA-N 0 0 209.072 2.300 10 0 BEAERN O=C(c1cc(F)ccc1O)N1C[C@H]2CCC[C@@H]21 ZINC000335777556 355403118 /nfs/dbraw/zinc/40/31/18/355403118.db2.gz JBQQHDIZTBFJDM-KCJUWKMLSA-N 0 0 235.258 2.156 10 0 BEAERN CC1(CNC(=O)N2C[C@H]3CCC[C@@H]32)CCC1 ZINC000335828486 355555316 /nfs/dbraw/zinc/55/53/16/355555316.db2.gz YRMHIKZWDPEHGA-MNOVXSKESA-N 0 0 222.332 2.371 10 0 BEAERN CC1CN(C(=O)[C@@H]2CCc3ccccc32)C1 ZINC000335841506 355585828 /nfs/dbraw/zinc/58/58/28/355585828.db2.gz QXHOEJQNDSLMDP-CYBMUJFWSA-N 0 0 215.296 2.195 10 0 BEAERN CCOC(=O)[C@@H](Cl)/C=C/[C@@H](C)Cl ZINC000205658949 355663806 /nfs/dbraw/zinc/66/38/06/355663806.db2.gz QPNBBYJXULZLDF-ZVCMNORXSA-N 0 0 211.088 2.340 10 0 BEAERN O=C(c1ccccc1)N1C[C@@H]2CCC[C@@H]21 ZINC000335871914 355638690 /nfs/dbraw/zinc/63/86/90/355638690.db2.gz OZVHWOBDWLSAEC-RYUDHWBXSA-N 0 0 201.269 2.311 10 0 BEAERN OCc1ccnc(OCc2ccccc2)c1 ZINC000035077230 355772843 /nfs/dbraw/zinc/77/28/43/355772843.db2.gz YMDSQKHPXSUJSG-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N1C[C@H]2CCC[C@@H]21 ZINC000350699546 355743022 /nfs/dbraw/zinc/74/30/22/355743022.db2.gz HKZXBZUZXBNHAA-MXWKQRLJSA-N 0 0 225.332 2.201 10 0 BEAERN CCc1cnc([C@H]2CSCCN2)s1 ZINC000160269097 355774901 /nfs/dbraw/zinc/77/49/01/355774901.db2.gz SMXRSOFTSSUSBP-MRVPVSSYSA-N 0 0 214.359 2.083 10 0 BEAERN C/C=C/CCNc1ccccc1S(C)(=O)=O ZINC000125185924 191809568 /nfs/dbraw/zinc/80/95/68/191809568.db2.gz IPRBGBDMRJPUJW-ONEGZZNKSA-N 0 0 239.340 2.468 10 0 BEAERN Cc1nc(Cl)nc(NCc2ccccc2)n1 ZINC000002037402 355806468 /nfs/dbraw/zinc/80/64/68/355806468.db2.gz HVGYEHVEUMVURM-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN COc1ccccc1[C@@]1(O)CSC[C@@H]1C ZINC000308990779 355836879 /nfs/dbraw/zinc/83/68/79/355836879.db2.gz VXKUVCGUVQPXPA-JOYOIKCWSA-N 0 0 224.325 2.266 10 0 BEAERN C[C@H](Nc1cc(C(=O)[O-])ccn1)c1ccncc1 ZINC000035126587 355840212 /nfs/dbraw/zinc/84/02/12/355840212.db2.gz RZIGOAYTKRKLCV-VIFPVBQESA-N 0 0 243.266 2.348 10 0 BEAERN O=C(OCc1ccccc1)N1CCC2(COC2)C1 ZINC000097758889 355874362 /nfs/dbraw/zinc/87/43/62/355874362.db2.gz GBFOOYUUIJXKCF-UHFFFAOYSA-N 0 0 247.294 2.046 10 0 BEAERN Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000113331665 355888443 /nfs/dbraw/zinc/88/84/43/355888443.db2.gz RHVWKGSFISWDQH-UHFFFAOYSA-N 0 0 213.284 2.469 10 0 BEAERN Nc1cc(Br)cc(-n2cccn2)c1 ZINC000113334028 355888759 /nfs/dbraw/zinc/88/87/59/355888759.db2.gz BIFJQHJGUNAIMR-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN NC(=O)CNc1ccccc1-c1ccccc1 ZINC000020040008 181236830 /nfs/dbraw/zinc/23/68/30/181236830.db2.gz INTVZGQLHAFPCB-UHFFFAOYSA-N 0 0 226.279 2.251 10 0 BEAERN NC(=O)Cc1ccccc1NCC1CCCC1 ZINC000050271839 181247554 /nfs/dbraw/zinc/24/75/54/181247554.db2.gz FSRCOIIUEDGVRB-UHFFFAOYSA-N 0 0 232.327 2.317 10 0 BEAERN CC(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]32)no1 ZINC000329910994 356143514 /nfs/dbraw/zinc/14/35/14/356143514.db2.gz AHRZKELRUDKCAC-VHSXEESVSA-N 0 0 249.314 2.236 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)[C@@H]1CC=CCC1 ZINC000037941940 181266691 /nfs/dbraw/zinc/26/66/91/181266691.db2.gz ZOWNLGIGTYYSCC-YPMHNXCESA-N 0 0 230.311 2.309 10 0 BEAERN O=C(CN1C[C@@H]2CCC[C@@H]21)c1ccccc1F ZINC000639538468 356390919 /nfs/dbraw/zinc/39/09/19/356390919.db2.gz PDYXKHTYVFDEAE-GWCFXTLKSA-N 0 0 233.286 2.493 10 0 BEAERN CN(Cc1ccco1)c1nsnc1Cl ZINC000035232303 356423099 /nfs/dbraw/zinc/42/30/99/356423099.db2.gz FGBOHCNTWHUCRT-UHFFFAOYSA-N 0 0 229.692 2.421 10 0 BEAERN COc1ccc(F)c(OC(F)F)c1OC ZINC000396123774 356454501 /nfs/dbraw/zinc/45/45/01/356454501.db2.gz FKPMAZKLTDBNDD-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN Cc1nc(Cl)cc(=O)n1[C@@H]1C=CCCC1 ZINC000167847180 356448193 /nfs/dbraw/zinc/44/81/93/356448193.db2.gz GQWSJZPDOSZNCS-SECBINFHSA-N 0 0 224.691 2.486 10 0 BEAERN NC(=O)[C@H](Nc1ccc(F)cc1)[C@H]1CC=CCC1 ZINC000037942779 181278771 /nfs/dbraw/zinc/27/87/71/181278771.db2.gz GYSQVCMOHHGYCG-GXFFZTMASA-N 0 0 248.301 2.448 10 0 BEAERN Oc1cccc2c1CC[C@H]2NCc1cnns1 ZINC000400239509 356490491 /nfs/dbraw/zinc/49/04/91/356490491.db2.gz SBBSBBDRESTVNG-LLVKDONJSA-N 0 0 247.323 2.021 10 0 BEAERN Fc1ccc(OC[C@@H]2CO2)cc1Br ZINC000137536085 356471835 /nfs/dbraw/zinc/47/18/35/356471835.db2.gz JWMKKOLXHRXCPZ-SSDOTTSWSA-N 0 0 247.063 2.366 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1F)[C@H]1CC=CCC1 ZINC000037945472 181277946 /nfs/dbraw/zinc/27/79/46/181277946.db2.gz BTETVKRLOIHAGG-GXFFZTMASA-N 0 0 248.301 2.448 10 0 BEAERN CN(C#N)Cc1ccc(Br)cc1 ZINC000168172945 356505416 /nfs/dbraw/zinc/50/54/16/356505416.db2.gz OMBXELGITPYRBB-UHFFFAOYSA-N 0 0 225.089 2.362 10 0 BEAERN NC(=O)c1c(N)sc2c1-c1ccccc1C2 ZINC000100541741 181286296 /nfs/dbraw/zinc/28/62/96/181286296.db2.gz UIAUWURXNMEGBE-UHFFFAOYSA-N 0 0 230.292 2.000 10 0 BEAERN NC(=O)c1c(N)sc2c1-c1ccccc1CC2 ZINC000100653954 181286458 /nfs/dbraw/zinc/28/64/58/181286458.db2.gz WYZBOZGEAWLMIK-UHFFFAOYSA-N 0 0 244.319 2.195 10 0 BEAERN C[C@@H]1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C ZINC000179683921 366286100 /nfs/dbraw/zinc/28/61/00/366286100.db2.gz KQLQUULYXQSPJM-MNOVXSKESA-N 0 0 248.374 2.170 10 0 BEAERN CC(C)(C)c1nc(NCC(F)F)no1 ZINC000302137967 356607389 /nfs/dbraw/zinc/60/73/89/356607389.db2.gz NKYWPOYAWMGSGK-UHFFFAOYSA-N 0 0 205.208 2.044 10 0 BEAERN Fc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000200788968 538466200 /nfs/dbraw/zinc/46/62/00/538466200.db2.gz PZTPPCFVEBRWNC-UHFFFAOYSA-N 0 0 215.442 2.442 10 0 BEAERN OC[C@@H]1CC[C@@H](c2cccc(F)c2)CO1 ZINC000675058405 538481627 /nfs/dbraw/zinc/48/16/27/538481627.db2.gz DJECXFGIOARMHO-PWSUYJOCSA-N 0 0 210.248 2.081 10 0 BEAERN OC[C@H]1CC[C@@H](c2ccc(F)cc2)CO1 ZINC000675058346 538481774 /nfs/dbraw/zinc/48/17/74/538481774.db2.gz AWVSHHXYPBJENP-ZYHUDNBSSA-N 0 0 210.248 2.081 10 0 BEAERN Cc1ccc([C@@H]2CC[C@@H](CO)OC2)cc1 ZINC000675058737 538481936 /nfs/dbraw/zinc/48/19/36/538481936.db2.gz WAEVIMRXXPBFJZ-OLZOCXBDSA-N 0 0 206.285 2.250 10 0 BEAERN OC[C@H]1CC[C@@H](c2ccccc2F)CO1 ZINC000675058639 538482624 /nfs/dbraw/zinc/48/26/24/538482624.db2.gz QHCCPBVXCOUVTP-NXEZZACHSA-N 0 0 210.248 2.081 10 0 BEAERN CCOC(=O)c1c(C=O)occ1C(C)C ZINC000675051245 538474045 /nfs/dbraw/zinc/47/40/45/538474045.db2.gz GFQYUCJYQHNEFZ-UHFFFAOYSA-N 0 0 210.229 2.392 10 0 BEAERN Cc1cc(-c2ccc(F)c(N)c2F)cc(N)n1 ZINC000675059530 538484505 /nfs/dbraw/zinc/48/45/05/538484505.db2.gz RMHILKZRFGGQFY-UHFFFAOYSA-N 0 0 235.237 2.500 10 0 BEAERN COc1nscc1-c1ccc(C=O)nc1 ZINC000675059696 538485388 /nfs/dbraw/zinc/48/53/88/538485388.db2.gz UMMDWUPCOSWMTH-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN Cc1ccc(F)c(-c2c(N)cnn2C)c1 ZINC000675068700 538496896 /nfs/dbraw/zinc/49/68/96/538496896.db2.gz DJHVWCZIFYEBEQ-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cn1ncc(N)c1-c1ccc(C(F)F)nc1 ZINC000675071226 538501771 /nfs/dbraw/zinc/50/17/71/538501771.db2.gz YQMXPKYBWXQXOS-UHFFFAOYSA-N 0 0 224.214 2.002 10 0 BEAERN Nc1ccc(-c2cnn3cccnc23)c(F)c1 ZINC000675073247 538504811 /nfs/dbraw/zinc/50/48/11/538504811.db2.gz VDNARWUWYZNKGJ-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN COC(=O)c1nc(N[C@H]2C[C@@H]2C)sc1C ZINC000167761678 134153796 /nfs/dbraw/zinc/15/37/96/134153796.db2.gz PSNXKWAARNJIMB-FSPLSTOPSA-N 0 0 226.301 2.058 10 0 BEAERN CCN[S@](=O)(=NC(C)C)c1cccc(N)c1 ZINC000675075220 538508508 /nfs/dbraw/zinc/50/85/08/538508508.db2.gz MZBNULIOFQDVHO-INIZCTEOSA-N 0 0 241.360 2.029 10 0 BEAERN CC[C@H](C)N=[S@@](=O)(NC)c1cccc(N)c1 ZINC000675076172 538510570 /nfs/dbraw/zinc/51/05/70/538510570.db2.gz UXGSMWIWRVXXMJ-FVMDXXJSSA-N 0 0 241.360 2.029 10 0 BEAERN CC(C)c1nn(C)cc1[C@@H]1CCC(=O)C1 ZINC000675068843 538497555 /nfs/dbraw/zinc/49/75/55/538497555.db2.gz DZVLUYIIOBIGCJ-SECBINFHSA-N 0 0 206.289 2.380 10 0 BEAERN CC[C@@H](C)C(=O)[C@H]1Cc2nc(C)ccc2O1 ZINC000675080305 538519386 /nfs/dbraw/zinc/51/93/86/538519386.db2.gz BVAXSPCTWRLYFU-PRHODGIISA-N 0 0 219.284 2.309 10 0 BEAERN COCCNc1cc(Br)ccc1N ZINC000083730627 538520154 /nfs/dbraw/zinc/52/01/54/538520154.db2.gz LHMQPXKPAVCRBG-UHFFFAOYSA-N 0 0 245.120 2.090 10 0 BEAERN O=C(CC1CC1)[C@@H]1Cc2cccc(F)c2O1 ZINC000675081076 538521771 /nfs/dbraw/zinc/52/17/71/538521771.db2.gz FJUOTRVWCHAWLR-LBPRGKRZSA-N 0 0 220.243 2.498 10 0 BEAERN CCCC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000675081156 538521799 /nfs/dbraw/zinc/52/17/99/538521799.db2.gz KCTKJCGRLSHAOA-GFCCVEGCSA-N 0 0 208.232 2.498 10 0 BEAERN COc1cccc([C@]23C[C@H](CC2)[C@H]3O)c1 ZINC000675081232 538522213 /nfs/dbraw/zinc/52/22/13/538522213.db2.gz NEWFISFSAGUBEW-ZWKOPEQDSA-N 0 0 204.269 2.108 10 0 BEAERN CCCC(=O)[C@@H]1Cc2ccc(F)cc2O1 ZINC000675081223 538522236 /nfs/dbraw/zinc/52/22/36/538522236.db2.gz MSZLVQHMTSSNKL-LBPRGKRZSA-N 0 0 208.232 2.498 10 0 BEAERN CC(C)C(=O)[C@@H]1Cc2cc(F)c(F)cc2O1 ZINC000675081567 538522601 /nfs/dbraw/zinc/52/26/01/538522601.db2.gz TUQSQPDXCRTLFK-NSHDSACASA-N 0 0 226.222 2.493 10 0 BEAERN COc1cccc2c1O[C@@H](C(=O)C(C)C)C2 ZINC000675081177 538522669 /nfs/dbraw/zinc/52/26/69/538522669.db2.gz KTDSYZFGICFNBS-LLVKDONJSA-N 0 0 220.268 2.224 10 0 BEAERN CC(C)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000675081544 538522714 /nfs/dbraw/zinc/52/27/14/538522714.db2.gz RTDHVWTZVJMJIL-NSHDSACASA-N 0 0 208.232 2.354 10 0 BEAERN C[C@@H](CCO)SCC(=O)c1ccccc1 ZINC000085146395 538536051 /nfs/dbraw/zinc/53/60/51/538536051.db2.gz BUJDYXCCKBPREQ-JTQLQIEISA-N 0 0 224.325 2.373 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCCCC2(C)C ZINC000086849311 538561240 /nfs/dbraw/zinc/56/12/40/538561240.db2.gz KGBRSDVARKQQIR-JOYOIKCWSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@H]1O[C@]1(C)c1c(F)cccc1Cl ZINC000380978374 538547930 /nfs/dbraw/zinc/54/79/30/538547930.db2.gz BWRVQENAEWTDJK-GXSJLCMTSA-N 0 0 244.649 2.266 10 0 BEAERN Nc1ccc2cnn(CC3CCC3)c2c1 ZINC000083838931 538526164 /nfs/dbraw/zinc/52/61/64/538526164.db2.gz RJHFDTPJUQFUBP-UHFFFAOYSA-N 0 0 201.273 2.419 10 0 BEAERN COC(=O)c1cc(Cl)nc2c1CCCC2 ZINC000084311770 538528870 /nfs/dbraw/zinc/52/88/70/538528870.db2.gz HRWPYTCDFQESAM-UHFFFAOYSA-N 0 0 225.675 2.400 10 0 BEAERN CN(CCC(=O)C1CC1)C(=O)OC(C)(C)C ZINC000405519027 538598249 /nfs/dbraw/zinc/59/82/49/538598249.db2.gz VSIWXQHNKYKNPT-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN C[NH2+]C1(C(=O)[O-])CC(C)(C)CC(C)(C)C1 ZINC000168300290 356739045 /nfs/dbraw/zinc/73/90/45/356739045.db2.gz OBNXHYKFVPHOSF-UHFFFAOYSA-N 0 0 213.321 2.266 10 0 BEAERN CCOC(=O)c1noc([C@H]2CCC[C@@H]2C)n1 ZINC000226696437 538612964 /nfs/dbraw/zinc/61/29/64/538612964.db2.gz UUUHJSMQNGBSJD-YUMQZZPRSA-N 0 0 224.260 2.150 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CCC[C@@H](C)CC2 ZINC000227198937 538616958 /nfs/dbraw/zinc/61/69/58/538616958.db2.gz RRCDZFUMKDFJHC-USWWRNFRSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCC[C@@H](C)CC2 ZINC000227198933 538617127 /nfs/dbraw/zinc/61/71/27/538617127.db2.gz RRCDZFUMKDFJHC-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@H]1CCC[C@@]2(C1)O[C@@]2(C)C(=O)OC ZINC000227199560 538617167 /nfs/dbraw/zinc/61/71/67/538617167.db2.gz RJIFMJGEEOQXCM-USWWRNFRSA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CC12CCC(=O)CC2 ZINC000217101748 538646560 /nfs/dbraw/zinc/64/65/60/538646560.db2.gz KJKFDUASZGJGCD-SNVBAGLBSA-N 0 0 239.315 2.413 10 0 BEAERN CCc1nc(CNC(=O)N(C)C2CC2)cs1 ZINC000114962801 356943789 /nfs/dbraw/zinc/94/37/89/356943789.db2.gz UTUMCMVLAOBMLH-UHFFFAOYSA-N 0 0 239.344 2.009 10 0 BEAERN Cc1ccccc1[C@@H]([NH3+])C(C)(C)C(=O)[O-] ZINC000214825036 356964950 /nfs/dbraw/zinc/96/49/50/356964950.db2.gz LJYBZBVYFDFBTC-SNVBAGLBSA-N 0 0 207.273 2.106 10 0 BEAERN NC(=O)c1cc(F)ccc1Oc1cccc(O)c1 ZINC000104250284 181289930 /nfs/dbraw/zinc/28/99/30/181289930.db2.gz JHEWQFUQJXTYBJ-UHFFFAOYSA-N 0 0 247.225 2.423 10 0 BEAERN CC[C@@H](C)Nc1cc(Br)ncn1 ZINC000160520006 357030608 /nfs/dbraw/zinc/03/06/08/357030608.db2.gz RXNCHLUZDLXJPS-ZCFIWIBFSA-N 0 0 230.109 2.450 10 0 BEAERN Cc1nc(Br)cc(NC(C)C)n1 ZINC000160518052 357030682 /nfs/dbraw/zinc/03/06/82/357030682.db2.gz UMZUBDHESCUDKY-UHFFFAOYSA-N 0 0 230.109 2.368 10 0 BEAERN CCc1nc(Br)cc(N(C)CC)n1 ZINC000160549401 357050213 /nfs/dbraw/zinc/05/02/13/357050213.db2.gz YFHHUGDMWZSOAY-UHFFFAOYSA-N 0 0 244.136 2.258 10 0 BEAERN CC(C)(C)C1CCC([C@H](C[NH3+])C(=O)[O-])CC1 ZINC000136730740 538772633 /nfs/dbraw/zinc/77/26/33/538772633.db2.gz XUULTAQEFOGMGO-ILDUYXDCSA-N 0 0 227.348 2.498 10 0 BEAERN COc1ccc2[nH]c(CCCCCO)nc2c1 ZINC000026462223 357136209 /nfs/dbraw/zinc/13/62/09/357136209.db2.gz HWSYEDJBQRIUBG-UHFFFAOYSA-N 0 0 234.299 2.277 10 0 BEAERN CC[C@@H](N[C@H](C)c1csc(C)n1)C(=O)OC ZINC000303589601 357137161 /nfs/dbraw/zinc/13/71/61/357137161.db2.gz VMADDQYNGIVLPT-VXNVDRBHSA-N 0 0 242.344 2.054 10 0 BEAERN COc1cc(I)c(C)cn1 ZINC000223876614 357137295 /nfs/dbraw/zinc/13/72/95/357137295.db2.gz FCGALBYRWLDYAH-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN O=C(Cc1ncc[nH]1)C1CCCCCC1 ZINC000053713873 357157615 /nfs/dbraw/zinc/15/76/15/357157615.db2.gz MXYDXGHLLHBFHF-UHFFFAOYSA-N 0 0 206.289 2.492 10 0 BEAERN COC(=O)c1cc(O)cc(C)c1Br ZINC000223922615 357158334 /nfs/dbraw/zinc/15/83/34/357158334.db2.gz DBDAVOHNUQEGCO-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN CN(CC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C ZINC000259231999 538808456 /nfs/dbraw/zinc/80/84/56/538808456.db2.gz JVHCDXCQIBJSHC-UHFFFAOYSA-N 0 0 238.287 2.064 10 0 BEAERN Brc1cc(NC2CCC2)ncn1 ZINC000160671649 357167619 /nfs/dbraw/zinc/16/76/19/357167619.db2.gz SQERFJUTQKRBPJ-UHFFFAOYSA-N 0 0 228.093 2.204 10 0 BEAERN c1csc(-c2noc(NC3CC3)n2)c1 ZINC000053750738 357168810 /nfs/dbraw/zinc/16/88/10/357168810.db2.gz SEDUFMPQDRDHOS-UHFFFAOYSA-N 0 0 207.258 2.372 10 0 BEAERN O[C@H](C1=CCCO1)c1ccc(Cl)nc1 ZINC000168706228 357193004 /nfs/dbraw/zinc/19/30/04/357193004.db2.gz YPWKDSJUBQHEFC-JTQLQIEISA-N 0 0 211.648 2.073 10 0 BEAERN CC[C@H](C)OCC(=O)NCCC1=CCCC1 ZINC000131215158 325126275 /nfs/dbraw/zinc/12/62/75/325126275.db2.gz JWZDVSLGYWOOHD-NSHDSACASA-N 0 0 225.332 2.418 10 0 BEAERN CCOC(=O)c1sc(C=O)cc1CC ZINC000259555006 538821697 /nfs/dbraw/zinc/82/16/97/538821697.db2.gz BZNTVTRSTKPBKZ-UHFFFAOYSA-N 0 0 212.270 2.300 10 0 BEAERN CCOC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1Cc1ccccc1 ZINC000259993713 538834823 /nfs/dbraw/zinc/83/48/23/538834823.db2.gz FRIRBQGQUNHTKU-MCIONIFRSA-N 0 0 245.322 2.070 10 0 BEAERN C[C@H]1Oc2cc(Br)c(F)cc2[C@H]1O ZINC000137741149 357388726 /nfs/dbraw/zinc/38/87/26/357388726.db2.gz JCDLGGFARTYXRS-MOFOKWOHSA-N 0 0 247.063 2.403 10 0 BEAERN COC(=O)c1c(Br)onc1C1CC1 ZINC000260698666 538849619 /nfs/dbraw/zinc/84/96/19/538849619.db2.gz AMBQACYDIKMNTK-UHFFFAOYSA-N 0 0 246.060 2.101 10 0 BEAERN CC(C)n1ccnc1CS[C@@H](C)CCO ZINC000610286865 357468489 /nfs/dbraw/zinc/46/84/89/357468489.db2.gz DDARFZMSZKLDLW-JTQLQIEISA-N 0 0 228.361 2.468 10 0 BEAERN CC/C=C(\C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188688692 357571212 /nfs/dbraw/zinc/57/12/12/357571212.db2.gz XEXAXQYBKUHUCZ-IYHOGXMXSA-N 0 0 223.316 2.026 10 0 BEAERN CC(C)CCCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000188230126 357535109 /nfs/dbraw/zinc/53/51/09/357535109.db2.gz BVGLBVHPHVVKAK-NEPJUHHUSA-N 0 0 227.348 2.354 10 0 BEAERN C/C(=C\C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)C1CC1 ZINC000188709732 357565883 /nfs/dbraw/zinc/56/58/83/357565883.db2.gz KEIDLXFSCHDNRU-RHQFPOTISA-N 0 0 235.327 2.026 10 0 BEAERN OCC[C@@H]1CCN(c2nccc3occc32)C1 ZINC000230913313 357579943 /nfs/dbraw/zinc/57/99/43/357579943.db2.gz QYDCARQEOWIWBS-JTQLQIEISA-N 0 0 232.283 2.037 10 0 BEAERN c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000189147577 357606365 /nfs/dbraw/zinc/60/63/65/357606365.db2.gz NCKSIESBZUQBSN-RYUDHWBXSA-N 0 0 246.358 2.425 10 0 BEAERN CCCn1cc(CN[C@H](C)c2ncc(C)o2)cn1 ZINC000231532506 357609343 /nfs/dbraw/zinc/60/93/43/357609343.db2.gz ZHSDYVCEJKOQEX-LLVKDONJSA-N 0 0 248.330 2.440 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1ccnc(N(C)C)n1 ZINC000231663935 357618275 /nfs/dbraw/zinc/61/82/75/357618275.db2.gz JKAZSBKQGITOIZ-ZJUUUORDSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@@H]1CN(c2csc(C=O)c2)CCCO1 ZINC000160553983 538885301 /nfs/dbraw/zinc/88/53/01/538885301.db2.gz PNKDWTMIFYQNHX-SECBINFHSA-N 0 0 225.313 2.176 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)CCC1CC1 ZINC000189645812 357651646 /nfs/dbraw/zinc/65/16/46/357651646.db2.gz ULRJLDNCAZGTJM-JQWIXIFHSA-N 0 0 225.332 2.060 10 0 BEAERN CC(C)CC(=O)NCC[C@@H]1CCCC[C@H]1O ZINC000685946981 538888730 /nfs/dbraw/zinc/88/87/30/538888730.db2.gz HODRZSSORVAEFD-NWDGAFQWSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NCC1(C2CC2)CC1 ZINC000189713431 357654323 /nfs/dbraw/zinc/65/43/23/357654323.db2.gz KLPJSKBGFCWBET-ZYHUDNBSSA-N 0 0 237.343 2.108 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1(C2CC2)CC1 ZINC000189713450 357654888 /nfs/dbraw/zinc/65/48/88/357654888.db2.gz KLPJSKBGFCWBET-CMPLNLGQSA-N 0 0 237.343 2.108 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000189713471 357654933 /nfs/dbraw/zinc/65/49/33/357654933.db2.gz KLPJSKBGFCWBET-PWSUYJOCSA-N 0 0 237.343 2.108 10 0 BEAERN CC[NH+](CC)C1CCC(C)(C(=O)[O-])CC1 ZINC000685948073 538890342 /nfs/dbraw/zinc/89/03/42/538890342.db2.gz WKGLUZGGKYIWSO-UHFFFAOYSA-N 0 0 213.321 2.362 10 0 BEAERN CCOCCN1C(=S)N=NC1[C@@H](C)C1CC1 ZINC000685950264 538893274 /nfs/dbraw/zinc/89/32/74/538893274.db2.gz VIFHEXSQFRUISK-QMMMGPOBSA-N 0 0 241.360 2.117 10 0 BEAERN Cc1nn(CCCOCc2ccccc2)cc1N ZINC000685951245 538894554 /nfs/dbraw/zinc/89/45/54/538894554.db2.gz QQVNBIINHMAOAH-UHFFFAOYSA-N 0 0 245.326 2.381 10 0 BEAERN CC(C)N(C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000190656102 357720580 /nfs/dbraw/zinc/72/05/80/357720580.db2.gz HDRHDZIDANCRLW-VXGBXAGGSA-N 0 0 240.347 2.090 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nc(C(=O)OCC)co1 ZINC000233436709 357723634 /nfs/dbraw/zinc/72/36/34/357723634.db2.gz BYHYTEUSGRJFRB-DTWKUNHWSA-N 0 0 238.287 2.452 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191742890 357792753 /nfs/dbraw/zinc/79/27/53/357792753.db2.gz HVYNCLWJXMXMTO-WDEREUQCSA-N 0 0 227.348 2.496 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191742860 357792917 /nfs/dbraw/zinc/79/29/17/357792917.db2.gz HVYNCLWJXMXMTO-GHMZBOCLSA-N 0 0 227.348 2.496 10 0 BEAERN CCCCN(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191737148 357793017 /nfs/dbraw/zinc/79/30/17/357793017.db2.gz GLMHFKPENIKOCU-MNOVXSKESA-N 0 0 213.321 2.060 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000191689355 357799084 /nfs/dbraw/zinc/79/90/84/357799084.db2.gz QLZSUYBWFMMDPL-BXKDBHETSA-N 0 0 237.343 2.106 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC000191927565 357805344 /nfs/dbraw/zinc/80/53/44/357805344.db2.gz BNDISVYHWVRAML-SDDRHHMPSA-N 0 0 223.316 2.026 10 0 BEAERN C[C@H](Cl)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000036134225 358012343 /nfs/dbraw/zinc/01/23/43/358012343.db2.gz ZUQFYZUJPUDSRU-ONGXEEELSA-N 0 0 238.718 2.372 10 0 BEAERN Cc1ccnc(C)c1I ZINC000169025329 358012935 /nfs/dbraw/zinc/01/29/35/358012935.db2.gz VGKSTPRNYCLLNC-UHFFFAOYSA-N 0 0 233.052 2.303 10 0 BEAERN OC[C@H]1CCN(c2nccc3sccc32)C1 ZINC000051886461 358089776 /nfs/dbraw/zinc/08/97/76/358089776.db2.gz LWTVDINZESWALS-VIFPVBQESA-N 0 0 234.324 2.115 10 0 BEAERN CCO[P@](=O)(CC)OC(=O)C(C)C ZINC000584601833 358104206 /nfs/dbraw/zinc/10/42/06/358104206.db2.gz DLNYUJDIMJUBKH-CYBMUJFWSA-N 0 0 208.194 2.435 10 0 BEAERN CCOC(=O)c1ccc([C@@H](C)OC(C)=O)o1 ZINC000584604570 358104827 /nfs/dbraw/zinc/10/48/27/358104827.db2.gz YNBIRUAYJFWDGG-SSDOTTSWSA-N 0 0 226.228 2.080 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000171925265 134262864 /nfs/dbraw/zinc/26/28/64/134262864.db2.gz HUDOBUCZXBUIDN-AVGNSLFASA-N 0 0 239.359 2.449 10 0 BEAERN Cc1c2c(c(C)n1C)[C@](C)(C(N)=O)CC2(C)C ZINC000039215391 358219416 /nfs/dbraw/zinc/21/94/16/358219416.db2.gz DZYYAUXDZPXJSG-CQSZACIVSA-N 0 0 234.343 2.066 10 0 BEAERN NC(=O)[C@H]1Cc2ccccc2-c2ccccc21 ZINC000584590790 358248958 /nfs/dbraw/zinc/24/89/58/358248958.db2.gz UTZQPGYJSSGPNJ-AWEZNQCLSA-N 0 0 223.275 2.479 10 0 BEAERN CCOC(=O)c1cc2cccnc2c(Cl)n1 ZINC000584616061 358280909 /nfs/dbraw/zinc/28/09/09/358280909.db2.gz XWLIWWNSIXJRPT-UHFFFAOYSA-N 0 0 236.658 2.460 10 0 BEAERN COc1cccc(N2C(=O)CC[C@@H]2C)c1 ZINC000584613291 358277077 /nfs/dbraw/zinc/27/70/77/358277077.db2.gz BLFWFJSMRQYRQU-VIFPVBQESA-N 0 0 205.257 2.211 10 0 BEAERN c1ccc(COc2ccc3c(n2)CC[NH2+]C3)cc1 ZINC000584615989 358280976 /nfs/dbraw/zinc/28/09/76/358280976.db2.gz LPEQYLAOGXANKT-UHFFFAOYSA-N 0 0 240.306 2.306 10 0 BEAERN Cc1cc(Cl)nn2c1nnc2C(F)F ZINC000584614395 358278990 /nfs/dbraw/zinc/27/89/90/358278990.db2.gz ULUPGAZPIXCMSI-UHFFFAOYSA-N 0 0 218.594 2.024 10 0 BEAERN OCc1c(F)cc(OCC(F)F)cc1F ZINC000584595783 358253078 /nfs/dbraw/zinc/25/30/78/358253078.db2.gz SQUSCOPOLNXLQB-UHFFFAOYSA-N 0 0 224.153 2.101 10 0 BEAERN C=C=C[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000584595815 358253333 /nfs/dbraw/zinc/25/33/33/358253333.db2.gz YWKDOZBJWMTQSF-SNVBAGLBSA-N 0 0 236.267 2.087 10 0 BEAERN CCCCNC(=O)NC(=O)CCc1ccccc1 ZINC000584595972 358254055 /nfs/dbraw/zinc/25/40/55/358254055.db2.gz OLIBBQVGUYPJGY-UHFFFAOYSA-N 0 0 248.326 2.245 10 0 BEAERN CCOC(=O)C[C@@H](OCC)c1cccc(O)c1 ZINC000584596757 358254364 /nfs/dbraw/zinc/25/43/64/358254364.db2.gz LXVPSZDSQRWOKR-GFCCVEGCSA-N 0 0 238.283 2.423 10 0 BEAERN COc1ccc(COC2(C)CC(CO)C2)cc1 ZINC000584600731 358257601 /nfs/dbraw/zinc/25/76/01/358257601.db2.gz ZUFHWEVTXDHDPJ-UHFFFAOYSA-N 0 0 236.311 2.373 10 0 BEAERN CCO[C@H](O)[C@H]1[C@H](Oc2ccccc2)[C@H]1C ZINC000584601702 358258617 /nfs/dbraw/zinc/25/86/17/358258617.db2.gz AQJOHRNUQGRIQP-SQNXGDPESA-N 0 0 222.284 2.055 10 0 BEAERN CC[C@H]1c2cc3c(cc2COC1=O)CCC3=O ZINC000584601506 358258819 /nfs/dbraw/zinc/25/88/19/358258819.db2.gz ZEEBKMMICLURIG-JTQLQIEISA-N 0 0 230.263 2.366 10 0 BEAERN CCO[P@@](=O)(CC)OC(=O)C(C)C ZINC000584601836 358259381 /nfs/dbraw/zinc/25/93/81/358259381.db2.gz DLNYUJDIMJUBKH-ZDUSSCGKSA-N 0 0 208.194 2.435 10 0 BEAERN CO[P@@](C)(=O)OCC(=O)CCc1ccco1 ZINC000584602398 358260127 /nfs/dbraw/zinc/26/01/27/358260127.db2.gz FLGTXTGPBZNCSV-MRXNPFEDSA-N 0 0 246.199 2.267 10 0 BEAERN CCO[P@@](=O)(/C=C/CO)c1ccccc1 ZINC000584602591 358260564 /nfs/dbraw/zinc/26/05/64/358260564.db2.gz RAOBKIZGTOIJPR-WGPYJDKQSA-N 0 0 226.212 2.133 10 0 BEAERN CCOC(=O)/C=C/c1nc(C)c(C)s1 ZINC000584603577 358262208 /nfs/dbraw/zinc/26/22/08/358262208.db2.gz GPKWGYZVDNWPIC-AATRIKPKSA-N 0 0 211.286 2.336 10 0 BEAERN CCO[P@](=O)(CC)c1ccc(N)cc1 ZINC000584603754 358262388 /nfs/dbraw/zinc/26/23/88/358262388.db2.gz QKFNMQAFIOOYCH-CQSZACIVSA-N 0 0 213.217 2.229 10 0 BEAERN CCOC(=O)C[C@@H](C)C[C@@H](O)CC(C)C ZINC000584604446 358262899 /nfs/dbraw/zinc/26/28/99/358262899.db2.gz FDEWTBVTDUTWIE-QWRGUYRKSA-N 0 0 216.321 2.373 10 0 BEAERN CCOC(=O)CCCC(=O)c1ccco1 ZINC000584604472 358262943 /nfs/dbraw/zinc/26/29/43/358262943.db2.gz IDEMJZFCBINKPL-UHFFFAOYSA-N 0 0 210.229 2.196 10 0 BEAERN COC(OC)c1ccc2c(n1)N[C@H](C)CC2 ZINC000584615889 358280364 /nfs/dbraw/zinc/28/03/64/358280364.db2.gz AEIQAZAKQLAYSV-MRVPVSSYSA-N 0 0 222.288 2.120 10 0 BEAERN CN1C(=S)N=CC[C@H]1c1ccccc1 ZINC000584607543 358267851 /nfs/dbraw/zinc/26/78/51/358267851.db2.gz NTTAIWMLYZPZCD-JTQLQIEISA-N 0 0 204.298 2.061 10 0 BEAERN OCc1ccccc1Nc1ccccn1 ZINC000584607319 358268193 /nfs/dbraw/zinc/26/81/93/358268193.db2.gz XRUCANGNUYISQZ-UHFFFAOYSA-N 0 0 200.241 2.318 10 0 BEAERN CC(=O)Nc1cc(C)c2oc(=O)sc2c1C ZINC000584608418 358269327 /nfs/dbraw/zinc/26/93/27/358269327.db2.gz PUJGUJKNZYZLTB-UHFFFAOYSA-N 0 0 237.280 2.430 10 0 BEAERN Cc1nn(-c2ccccc2)cc1/C=C/[N+](=O)[O-] ZINC000584609503 358271147 /nfs/dbraw/zinc/27/11/47/358271147.db2.gz BETWXHCELPYKOT-BQYQJAHWSA-N 0 0 229.239 2.428 10 0 BEAERN CCOC(=O)OC/C=C/C[C@@H](O)C(C)C ZINC000584610436 358273084 /nfs/dbraw/zinc/27/30/84/358273084.db2.gz KEMVJEHEUUVUTB-BRAIEQGRSA-N 0 0 216.277 2.123 10 0 BEAERN CC(=O)NC/C=C/c1cccc(Cl)c1 ZINC000584610233 358273388 /nfs/dbraw/zinc/27/33/88/358273388.db2.gz QEEZCFDRDDHNJQ-HWKANZROSA-N 0 0 209.676 2.489 10 0 BEAERN OC[C@@H]1CSC(SCc2ccccc2)=N1 ZINC000584610519 358273774 /nfs/dbraw/zinc/27/37/74/358273774.db2.gz KYQCSYADQMUEEA-SNVBAGLBSA-N 0 0 239.365 2.384 10 0 BEAERN CC(=O)O/C(=C\SCCO)c1ccccc1 ZINC000584610920 358274550 /nfs/dbraw/zinc/27/45/50/358274550.db2.gz DJCKFMYPWPPAKS-XFXZXTDPSA-N 0 0 238.308 2.274 10 0 BEAERN Cc1nn(-c2ccccc2)cc1/C=C\[N+](=O)[O-] ZINC000584611035 358274832 /nfs/dbraw/zinc/27/48/32/358274832.db2.gz BETWXHCELPYKOT-FPLPWBNLSA-N 0 0 229.239 2.428 10 0 BEAERN [O-][n+]1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC000584620177 358286985 /nfs/dbraw/zinc/28/69/85/358286985.db2.gz RSJFHJHHEHNDBW-UHFFFAOYSA-N 0 0 210.236 2.468 10 0 BEAERN c1cnc2nc(-c3cnccn3)ccc2c1 ZINC000584622414 358290766 /nfs/dbraw/zinc/29/07/66/358290766.db2.gz UKXDSOBFSYFPBP-UHFFFAOYSA-N 0 0 208.224 2.087 10 0 BEAERN O=c1[nH]c(-c2nccs2)nc2ccccc12 ZINC000584622447 358290827 /nfs/dbraw/zinc/29/08/27/358290827.db2.gz YAPNLSQWJASAQT-UHFFFAOYSA-N 0 0 229.264 2.459 10 0 BEAERN CC(C)(C)OC(=O)CC(=O)C1(C)CCOCC1 ZINC000584625298 358293975 /nfs/dbraw/zinc/29/39/75/358293975.db2.gz JXWBNDFTIOYASI-UHFFFAOYSA-N 0 0 242.315 2.104 10 0 BEAERN Cc1cc(O)c(OC(=O)N(C)C)cc1C ZINC000584625634 358294859 /nfs/dbraw/zinc/29/48/59/358294859.db2.gz VXOOIZLVYPZQPS-UHFFFAOYSA-N 0 0 209.245 2.069 10 0 BEAERN CN1c2cc(-c3cn[nH]c3)ccc2C(C)(C)C1=O ZINC000584626511 358295713 /nfs/dbraw/zinc/29/57/13/358295713.db2.gz QBQQPVXPFHJPQT-UHFFFAOYSA-N 0 0 241.294 2.331 10 0 BEAERN COC(=O)[C@@](O)(c1cccs1)c1ccccc1 ZINC000584630221 358299491 /nfs/dbraw/zinc/29/94/91/358299491.db2.gz PBSMZOXKTBCMHL-ZDUSSCGKSA-N 0 0 248.303 2.157 10 0 BEAERN c1cc(CN2CSCCSC2)ccn1 ZINC000584630777 358300881 /nfs/dbraw/zinc/30/08/81/358300881.db2.gz HHSRONUSRMNFQE-UHFFFAOYSA-N 0 0 226.370 2.279 10 0 BEAERN N=c1ccc2nc(-c3cccnc3)sc2[nH]1 ZINC000584648543 358303412 /nfs/dbraw/zinc/30/34/12/358303412.db2.gz NJDPWEVPOBWLAE-UHFFFAOYSA-N 0 0 228.280 2.166 10 0 BEAERN Cc1ccnc(OCCCCCN2CC2)c1 ZINC000584650516 358304969 /nfs/dbraw/zinc/30/49/69/358304969.db2.gz PWWCITUEDFKOPH-UHFFFAOYSA-N 0 0 220.316 2.255 10 0 BEAERN CC(C)C(=O)Sc1ccccc1C(N)=O ZINC000584650698 358305010 /nfs/dbraw/zinc/30/50/10/358305010.db2.gz BXMLJAHPKZIKJB-UHFFFAOYSA-N 0 0 223.297 2.060 10 0 BEAERN C1=Cc2c(ccc3c2ccc2c3C=C[C@]3(C=2)CO3)=C1 ZINC000584650719 358305011 /nfs/dbraw/zinc/30/50/11/358305011.db2.gz GBWQZDHEXGAPRX-SFHVURJKSA-N 0 0 244.293 2.223 10 0 BEAERN CCN(C)C(=O)c1ccc(C2CCC2)[nH]c1=O ZINC000584631925 358314008 /nfs/dbraw/zinc/31/40/08/358314008.db2.gz FFXFWRUFESJTAT-UHFFFAOYSA-N 0 0 234.299 2.147 10 0 BEAERN COc1ccc2[nH]c3c(nc[nH]c3=S)c2c1 ZINC000584652257 358307513 /nfs/dbraw/zinc/30/75/13/358307513.db2.gz JWPMSMHGAUDZFJ-UHFFFAOYSA-N 0 0 231.280 2.360 10 0 BEAERN c1ccc([C@@H]2N=C(CN3CCCCC3)ON2)cc1 ZINC000584652524 358307707 /nfs/dbraw/zinc/30/77/07/358307707.db2.gz OECBVUOWXSPXEZ-CQSZACIVSA-N 0 0 245.326 2.104 10 0 BEAERN CSC(=C1C(=O)OC(C)(C)OC1=O)C(C)C ZINC000584655625 358308470 /nfs/dbraw/zinc/30/84/70/358308470.db2.gz NVNCBKONNKORMF-UHFFFAOYSA-N 0 0 244.312 2.096 10 0 BEAERN CCCCOc1c(C=O)cccc1C=O ZINC000584657080 358308865 /nfs/dbraw/zinc/30/88/65/358308865.db2.gz FKEWPQOMGVUADW-UHFFFAOYSA-N 0 0 206.241 2.491 10 0 BEAERN C[C@H]1CC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000584657026 358308983 /nfs/dbraw/zinc/30/89/83/358308983.db2.gz URWJAJDMICZZHB-ONGXEEELSA-N 0 0 210.298 2.259 10 0 BEAERN CC(=O)O[C@@H]1C=C[C@H]2OC(C)(C)C[C@H]2C1 ZINC000584658154 358310144 /nfs/dbraw/zinc/31/01/44/358310144.db2.gz OQSJFSLRXBHFIJ-GMTAPVOTSA-N 0 0 210.273 2.062 10 0 BEAERN O=C1CC[C@@]2(CCC[C@H]2O)N1Cc1ccccc1 ZINC000584616608 358281374 /nfs/dbraw/zinc/28/13/74/358281374.db2.gz IYJNBFHLPHVSPZ-UKRRQHHQSA-N 0 0 245.322 2.093 10 0 BEAERN c1ccc(CCCn2nnc3cnccc32)cc1 ZINC000584617266 358282071 /nfs/dbraw/zinc/28/20/71/358282071.db2.gz SGJUUXIIOULSEP-UHFFFAOYSA-N 0 0 238.294 2.459 10 0 BEAERN [NH3+][C@H](C(=O)[O-])[C@@H]1CCc2cc3ccccc3cc21 ZINC000584617085 358282305 /nfs/dbraw/zinc/28/23/05/358282305.db2.gz UPRWOSWWMJNKCD-OCCSQVGLSA-N 0 0 241.290 2.282 10 0 BEAERN [NH3+][C@H](C(=O)[O-])[C@H]1CCc2cc3ccccc3cc21 ZINC000584617084 358282315 /nfs/dbraw/zinc/28/23/15/358282315.db2.gz UPRWOSWWMJNKCD-JSGCOSHPSA-N 0 0 241.290 2.282 10 0 BEAERN O=C1C[C@H](CO)c2ccc(Br)cc21 ZINC000584618006 358283561 /nfs/dbraw/zinc/28/35/61/358283561.db2.gz DUFZCKFRSXQHAV-ZCFIWIBFSA-N 0 0 241.084 2.111 10 0 BEAERN COC(=O)N(O)c1cccc(Br)c1 ZINC000584643359 358328351 /nfs/dbraw/zinc/32/83/51/358328351.db2.gz VTMQHXLWHBODPU-UHFFFAOYSA-N 0 0 246.060 2.411 10 0 BEAERN CCOC(=O)c1cc(Cl)c(C)cc1N ZINC000584645471 358330815 /nfs/dbraw/zinc/33/08/15/358330815.db2.gz OQEDJEXIANVYTM-UHFFFAOYSA-N 0 0 213.664 2.407 10 0 BEAERN CC(C)(C)OC(=O)n1oc(=O)c2ccccc21 ZINC000584647079 358331696 /nfs/dbraw/zinc/33/16/96/358331696.db2.gz DUZZSZSJFUHNOD-UHFFFAOYSA-N 0 0 235.239 2.378 10 0 BEAERN CCCc1[nH]c(=O)c(C(=O)N(C)C)cc1CC ZINC000584632266 358314873 /nfs/dbraw/zinc/31/48/73/358314873.db2.gz IKOPUFCTYRDHBR-UHFFFAOYSA-N 0 0 236.315 2.004 10 0 BEAERN CCCc1cc(C(=O)NC2CC2)c(=O)[nH]c1CC ZINC000584633877 358317418 /nfs/dbraw/zinc/31/74/18/358317418.db2.gz HMEQUBMUXYOFDM-UHFFFAOYSA-N 0 0 248.326 2.194 10 0 BEAERN CC[C@H](C)CC(=O)N1C(=O)OCC1(C)C ZINC000584634580 358318889 /nfs/dbraw/zinc/31/88/89/358318889.db2.gz MRIBIQXMIDJQNY-QMMMGPOBSA-N 0 0 213.277 2.180 10 0 BEAERN CC(=O)Oc1ccc([Si](C)(C)C)cc1 ZINC000584634704 358318941 /nfs/dbraw/zinc/31/89/41/358318941.db2.gz VLCLGENSXZSWAT-UHFFFAOYSA-N 0 0 208.333 2.157 10 0 BEAERN CCN(CC)C(=O)Oc1ccc(F)cc1O ZINC000584635883 358319954 /nfs/dbraw/zinc/31/99/54/358319954.db2.gz KMWKKGYDLKCDAF-UHFFFAOYSA-N 0 0 227.235 2.372 10 0 BEAERN CC(=O)c1c(Nc2ccc(C)cc2)[nH]oc1=O ZINC000584635659 358319965 /nfs/dbraw/zinc/31/99/65/358319965.db2.gz NRDVPQWNXDWHBP-UHFFFAOYSA-N 0 0 232.239 2.223 10 0 BEAERN O=c1ccoc2cc(OC(F)F)ccc12 ZINC000584636393 358320922 /nfs/dbraw/zinc/32/09/22/358320922.db2.gz WPQBPAXFUZIPAT-UHFFFAOYSA-N 0 0 212.151 2.394 10 0 BEAERN CCOC(=O)c1nccc2c1C[C@@H](CC)C2 ZINC000584638047 358323534 /nfs/dbraw/zinc/32/35/34/358323534.db2.gz IVFOPQXCIHVDBM-VIFPVBQESA-N 0 0 219.284 2.383 10 0 BEAERN CON(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172837060 134269659 /nfs/dbraw/zinc/26/96/59/134269659.db2.gz DYFPNQVXOAULBM-WDEREUQCSA-N 0 0 211.305 2.223 10 0 BEAERN CON(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172837058 134269732 /nfs/dbraw/zinc/26/97/32/134269732.db2.gz DYFPNQVXOAULBM-MNOVXSKESA-N 0 0 211.305 2.223 10 0 BEAERN Cc1cccc(Oc2nccn3cnnc23)c1 ZINC000584640440 358326659 /nfs/dbraw/zinc/32/66/59/358326659.db2.gz HTXRADCJLBCAQJ-UHFFFAOYSA-N 0 0 226.239 2.225 10 0 BEAERN Cc1cnc(CN2CCC(c3cc[nH]n3)CC2)o1 ZINC000173605841 134276144 /nfs/dbraw/zinc/27/61/44/134276144.db2.gz BUCGQMXQOCBGTK-UHFFFAOYSA-N 0 0 246.314 2.086 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)Cc1ccccc1N ZINC000228508232 358377260 /nfs/dbraw/zinc/37/72/60/358377260.db2.gz BEXFONIDTKINKV-AAEUAGOBSA-N 0 0 232.327 2.116 10 0 BEAERN Cc1ncc(CN[C@H](C)c2nccnc2C)s1 ZINC000219131541 134274513 /nfs/dbraw/zinc/27/45/13/134274513.db2.gz WBEFNSYFFRSFCN-SECBINFHSA-N 0 0 248.355 2.401 10 0 BEAERN COC(=O)c1cnc2c(Cl)c[nH]c2c1 ZINC000044712934 358392240 /nfs/dbraw/zinc/39/22/40/358392240.db2.gz NBCMXSJIQKNDCJ-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN CSCC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000028971255 358445539 /nfs/dbraw/zinc/44/55/39/358445539.db2.gz QYDBGJAVBWXLRQ-UHFFFAOYSA-N 0 0 247.323 2.174 10 0 BEAERN COC(=O)C=C(C)Nc1ccc(OC)cc1 ZINC000100387101 358420138 /nfs/dbraw/zinc/42/01/38/358420138.db2.gz GRBMOJBEAKIXCD-HJWRWDBZSA-N 0 0 221.256 2.184 10 0 BEAERN COC(=O)C=C(C)Nc1ccc(C)cc1 ZINC000100387090 358420321 /nfs/dbraw/zinc/42/03/21/358420321.db2.gz PFOUNZPLBQOTSN-NTMALXAHSA-N 0 0 205.257 2.484 10 0 BEAERN CCC1CCC(NC(=O)c2ncccc2O)CC1 ZINC000042582610 358527539 /nfs/dbraw/zinc/52/75/39/358527539.db2.gz HSTPGKGAMMOACI-UHFFFAOYSA-N 0 0 248.326 2.486 10 0 BEAERN C=Cn1cc(CN[C@H](C)c2ncc(C)o2)cn1 ZINC000219484672 134285228 /nfs/dbraw/zinc/28/52/28/134285228.db2.gz LVLPZXWHVBQAQT-SNVBAGLBSA-N 0 0 232.287 2.131 10 0 BEAERN CCCC(=O)NCC(=O)Nc1ccc(CC)cc1 ZINC000048811363 358656209 /nfs/dbraw/zinc/65/62/09/358656209.db2.gz QDIPQYXAGBXCQA-UHFFFAOYSA-N 0 0 248.326 2.104 10 0 BEAERN CC(C)OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000049085276 358669226 /nfs/dbraw/zinc/66/92/26/358669226.db2.gz VUGPJKJTNMWQEH-GFCCVEGCSA-N 0 0 249.310 2.051 10 0 BEAERN O=C(NCc1cccnc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000049397990 358686156 /nfs/dbraw/zinc/68/61/56/358686156.db2.gz KDEQMDHCDVDCAB-NWDGAFQWSA-N 0 0 242.278 2.095 10 0 BEAERN C[C@H](CO)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000133398412 358752153 /nfs/dbraw/zinc/75/21/53/358752153.db2.gz RPCNMNLKYLBVKG-NEPJUHHUSA-N 0 0 241.375 2.480 10 0 BEAERN CCN(CC)C(=O)N[C@@H]1COc2ccccc21 ZINC000133657748 358762479 /nfs/dbraw/zinc/76/24/79/358762479.db2.gz ZKEPYUPJNKBRMB-LLVKDONJSA-N 0 0 234.299 2.172 10 0 BEAERN CC[C@H](C)C[S@](=O)Cc1nccn1CC ZINC000133723659 358766101 /nfs/dbraw/zinc/76/61/01/358766101.db2.gz SFNLSPLKACNRMV-ZUZCIYMTSA-N 0 0 228.361 2.198 10 0 BEAERN O=C(NCc1cscn1)[C@@H]1CC=CCC1 ZINC000050408240 358729089 /nfs/dbraw/zinc/72/90/89/358729089.db2.gz MCJJJXWJWAQLJL-SECBINFHSA-N 0 0 222.313 2.116 10 0 BEAERN COc1ccccc1C(=O)NCc1cscn1 ZINC000050407997 358729224 /nfs/dbraw/zinc/72/92/24/358729224.db2.gz JBOIMTRVPYRYJV-UHFFFAOYSA-N 0 0 248.307 2.082 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N1CCC2(CCCC2)C1 ZINC000176343823 134290671 /nfs/dbraw/zinc/29/06/71/134290671.db2.gz XJTKYJWCLHUHGJ-WDEREUQCSA-N 0 0 222.332 2.371 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000134269520 358784837 /nfs/dbraw/zinc/78/48/37/358784837.db2.gz GCYWTSRZAKDAEA-BXKDBHETSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000134268920 358784844 /nfs/dbraw/zinc/78/48/44/358784844.db2.gz LRKJMZXXLYQNJJ-GXSJLCMTSA-N 0 0 244.294 2.075 10 0 BEAERN CCCCCC(=O)N1CCC[C@H]1CCCO ZINC000052758971 358792276 /nfs/dbraw/zinc/79/22/76/358792276.db2.gz KOSHLVNQYHFRHF-LBPRGKRZSA-N 0 0 227.348 2.330 10 0 BEAERN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1CCCO ZINC000052759201 358792428 /nfs/dbraw/zinc/79/24/28/358792428.db2.gz SKKAYWLBXPJPIK-CHWSQXEVSA-N 0 0 237.343 2.106 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000135510293 358841985 /nfs/dbraw/zinc/84/19/85/358841985.db2.gz BSUOXOBRXWVAOI-NXEZZACHSA-N 0 0 249.358 2.380 10 0 BEAERN O=C1CCOC[C@H]1CC=C(Cl)Cl ZINC000403378771 358896867 /nfs/dbraw/zinc/89/68/67/358896867.db2.gz ODMDXTVEXXDLPG-ZCFIWIBFSA-N 0 0 209.072 2.301 10 0 BEAERN CCCCCS(=O)(=O)Cc1nccn1CC ZINC000180679727 366531932 /nfs/dbraw/zinc/53/19/32/366531932.db2.gz ZWLIYPPQUNEELW-UHFFFAOYSA-N 0 0 244.360 2.008 10 0 BEAERN CCC[C@H]1CCN(C2=NC(=O)CS2)C1 ZINC000306159356 358955019 /nfs/dbraw/zinc/95/50/19/358955019.db2.gz NORRKLKZIHEOGZ-QMMMGPOBSA-N 0 0 212.318 2.475 10 0 BEAERN c1ccc(CN[C@H]2COc3ccccc32)nc1 ZINC000070070250 359040384 /nfs/dbraw/zinc/04/03/84/359040384.db2.gz CIZCGFSATCCSSG-ZDUSSCGKSA-N 0 0 226.279 2.305 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)c1cscn1 ZINC000070069780 359040441 /nfs/dbraw/zinc/04/04/41/359040441.db2.gz DIICQXHLUVMLFN-VIFPVBQESA-N 0 0 246.291 2.007 10 0 BEAERN c1ccc2c(c1)OC[C@@H]2Nc1cnccn1 ZINC000070191482 359044524 /nfs/dbraw/zinc/04/45/24/359044524.db2.gz WIJPEONQNRIOHC-JTQLQIEISA-N 0 0 213.240 2.022 10 0 BEAERN COC(C)(C)[C@](C)(O)c1cc(C)ns1 ZINC000306178235 358987897 /nfs/dbraw/zinc/98/78/97/358987897.db2.gz HGBGXPNZXZHDRT-SNVBAGLBSA-N 0 0 215.318 2.084 10 0 BEAERN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1O ZINC000300396004 358987918 /nfs/dbraw/zinc/98/79/18/358987918.db2.gz SZVLDQVHEROQDA-KXUCPTDWSA-N 0 0 229.320 2.061 10 0 BEAERN CCc1cc(N[C@@H]2CCCC[C@@H]2CO)ncn1 ZINC000231143359 358994749 /nfs/dbraw/zinc/99/47/49/358994749.db2.gz DNMHXLKJZCPWGI-ZYHUDNBSSA-N 0 0 235.331 2.002 10 0 BEAERN Nc1c(Br)cccc1NCCF ZINC000306189334 359005749 /nfs/dbraw/zinc/00/57/49/359005749.db2.gz DDEWPEKZGPJQNI-UHFFFAOYSA-N 0 0 233.084 2.413 10 0 BEAERN Brc1nnc(-c2ccncc2)s1 ZINC000071051340 359071256 /nfs/dbraw/zinc/07/12/56/359071256.db2.gz KAUUGBWNSHNIAV-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)COC ZINC000247091934 359193829 /nfs/dbraw/zinc/19/38/29/359193829.db2.gz VUHGLKCIVZKKNP-OUAUKWLOSA-N 0 0 245.388 2.059 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C)C2)c1 ZINC000247105329 359194829 /nfs/dbraw/zinc/19/48/29/359194829.db2.gz IPBSVERNNHVECR-UPJWGTAASA-N 0 0 247.342 2.011 10 0 BEAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2C[C@@H]2C)C1 ZINC000247246455 359204818 /nfs/dbraw/zinc/20/48/18/359204818.db2.gz XJHPSRSEHJWPGO-MMWGEVLESA-N 0 0 242.388 2.368 10 0 BEAERN Cc1ccoc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247381402 359216742 /nfs/dbraw/zinc/21/67/42/359216742.db2.gz LDMLTMWCDJJHGE-QJPTWQEYSA-N 0 0 249.310 2.275 10 0 BEAERN CC1(C)CC[C@@H]1Nc1ccc(OCC(N)=O)cc1 ZINC000284440754 359301637 /nfs/dbraw/zinc/30/16/37/359301637.db2.gz RVWYOKSYSOKFGB-LBPRGKRZSA-N 0 0 248.326 2.151 10 0 BEAERN CCNC(=S)N[C@]1(C)CCCC[C@@H]1C ZINC000306213177 359306365 /nfs/dbraw/zinc/30/63/65/359306365.db2.gz LEVCNBXOPSVVAP-GXSJLCMTSA-N 0 0 214.378 2.439 10 0 BEAERN Nc1ccnn1Cc1ccsc1Cl ZINC000306213683 359308187 /nfs/dbraw/zinc/30/81/87/359308187.db2.gz LWFXCJHCMDZKOI-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN CCCO[C@@H]1[C@H](O)C[C@H]1OCc1ccccc1 ZINC000300470409 359312594 /nfs/dbraw/zinc/31/25/94/359312594.db2.gz JIDAVNADRFAJNP-MGPQQGTHSA-N 0 0 236.311 2.132 10 0 BEAERN CC(F)(F)c1nnc(Br)s1 ZINC000306214524 359316012 /nfs/dbraw/zinc/31/60/12/359316012.db2.gz YULYUYNDQWTNSD-UHFFFAOYSA-N 0 0 229.049 2.412 10 0 BEAERN COc1cccc2c(Br)ncnc12 ZINC000258259688 359343406 /nfs/dbraw/zinc/34/34/06/359343406.db2.gz NEOJZZXUCRYDFK-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN Cc1nc([C@H](C)Nc2ncns2)cs1 ZINC000306241805 359424682 /nfs/dbraw/zinc/42/46/82/359424682.db2.gz RXHILDARHNAGCG-YFKPBYRVSA-N 0 0 226.330 2.476 10 0 BEAERN CC[C@](C)(C(C)=O)N1CCC(F)(F)C1 ZINC000306245041 359433139 /nfs/dbraw/zinc/43/31/39/359433139.db2.gz UTAQQOWPLJTJNQ-SECBINFHSA-N 0 0 205.248 2.085 10 0 BEAERN C[C@@]1(Sc2ncc[nH]2)CCC[C@]1(C)O ZINC000306250236 359447955 /nfs/dbraw/zinc/44/79/55/359447955.db2.gz YOUSEIJOQRKWMF-VHSXEESVSA-N 0 0 212.318 2.195 10 0 BEAERN CN(C)c1ccc(OC(F)(F)F)cn1 ZINC000306252503 359461314 /nfs/dbraw/zinc/46/13/14/359461314.db2.gz MNHVXHYBCIKDMK-UHFFFAOYSA-N 0 0 206.167 2.046 10 0 BEAERN CC1(C[C@]2(C(=O)[O-])CC[NH2+]C2)CCCC1 ZINC000306253323 359462554 /nfs/dbraw/zinc/46/25/54/359462554.db2.gz SHVQORMGBVOIHX-GFCCVEGCSA-N 0 0 211.305 2.021 10 0 BEAERN F[C@H]1CC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000306258292 359475004 /nfs/dbraw/zinc/47/50/04/359475004.db2.gz ZZNFZZNMOJKCGY-NKWVEPMBSA-N 0 0 215.659 2.433 10 0 BEAERN Cn1cnnc1-c1cccc(Cl)c1F ZINC000228237299 359518261 /nfs/dbraw/zinc/51/82/61/359518261.db2.gz GWCLNDYUNSABIT-UHFFFAOYSA-N 0 0 211.627 2.275 10 0 BEAERN CC(C)(C)n1cnnc1-c1cscn1 ZINC000228231323 359518409 /nfs/dbraw/zinc/51/84/09/359518409.db2.gz AIBJZBRKKZPVPH-UHFFFAOYSA-N 0 0 208.290 2.157 10 0 BEAERN CCOc1nc(Cl)nc2c1SCC2 ZINC000306298684 359538179 /nfs/dbraw/zinc/53/81/79/359538179.db2.gz DTTCCFWAQNUODO-UHFFFAOYSA-N 0 0 216.693 2.177 10 0 BEAERN O[C@H](c1ccsc1Cl)[C@H]1CCOC1 ZINC000306299158 359545861 /nfs/dbraw/zinc/54/58/61/359545861.db2.gz DVJUOEYHFSKUQH-XPUUQOCRSA-N 0 0 218.705 2.471 10 0 BEAERN Cc1cc(O)ccc1N[C@@H]1CCCC[C@H]1O ZINC000580451147 359558558 /nfs/dbraw/zinc/55/85/58/359558558.db2.gz ZGYGGVMLJYAOMO-CHWSQXEVSA-N 0 0 221.300 2.416 10 0 BEAERN Cc1ccc(N(C)C(N)=O)cc1Br ZINC000306312206 359593263 /nfs/dbraw/zinc/59/32/63/359593263.db2.gz VWXZAMREDPDVKQ-UHFFFAOYSA-N 0 0 243.104 2.272 10 0 BEAERN CC(C)[C@H](C)NC(=O)C(F)(F)Br ZINC000306306529 359588235 /nfs/dbraw/zinc/58/82/35/359588235.db2.gz FIAUMGFSXKJGLN-YFKPBYRVSA-N 0 0 244.079 2.135 10 0 BEAERN O=C1N[C@@H](c2ccsc2Cl)CO1 ZINC000306325499 359608816 /nfs/dbraw/zinc/60/88/16/359608816.db2.gz HKVFRJXWXLBBAS-RXMQYKEDSA-N 0 0 203.650 2.182 10 0 BEAERN Cc1cc(C[C@]2(CO)CCCO2)cs1 ZINC000306329668 359610699 /nfs/dbraw/zinc/61/06/99/359610699.db2.gz ZQLMLAIPCFLOQP-NSHDSACASA-N 0 0 212.314 2.141 10 0 BEAERN O=C(c1c(F)cccc1Br)N1CC1 ZINC000306358614 359685838 /nfs/dbraw/zinc/68/58/38/359685838.db2.gz AALAODPQIYJRCJ-UHFFFAOYSA-N 0 0 244.063 2.044 10 0 BEAERN Clc1cc(Cl)nc(-c2csnn2)n1 ZINC000306358946 359685951 /nfs/dbraw/zinc/68/59/51/359685951.db2.gz AXBJHUZHNNICTB-UHFFFAOYSA-N 0 0 233.083 2.302 10 0 BEAERN Nc1nc(C(F)F)nc2sccc21 ZINC000306382613 359736421 /nfs/dbraw/zinc/73/64/21/359736421.db2.gz BEVZHMYXQZQRBX-UHFFFAOYSA-N 0 0 201.201 2.211 10 0 BEAERN CO[C@@H](C)CNc1nc(C)nc(Cl)c1C ZINC000224475005 359742005 /nfs/dbraw/zinc/74/20/05/359742005.db2.gz SCOSLSIBSVEEQE-LURJTMIESA-N 0 0 229.711 2.194 10 0 BEAERN Clc1ccn(C[C@@H]2CCCCO2)n1 ZINC000306410644 359817211 /nfs/dbraw/zinc/81/72/11/359817211.db2.gz NDPBOWCSQHSWGT-QMMMGPOBSA-N 0 0 200.669 2.106 10 0 BEAERN N[C@H](c1csnn1)c1ccsc1Cl ZINC000306411324 359819473 /nfs/dbraw/zinc/81/94/73/359819473.db2.gz NQINFPLKDJSFDH-LURJTMIESA-N 0 0 231.733 2.301 10 0 BEAERN Cc1cccc(N[C@H]2CCC[C@@H](O)C2)n1 ZINC000309099585 491144830 /nfs/dbraw/zinc/14/48/30/491144830.db2.gz GEDXPLHJOOLPRG-WDEREUQCSA-N 0 0 206.289 2.105 10 0 BEAERN Cc1cccc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000309099577 491144838 /nfs/dbraw/zinc/14/48/38/491144838.db2.gz GEDXPLHJOOLPRG-GHMZBOCLSA-N 0 0 206.289 2.105 10 0 BEAERN C[C@@H]1CC2(CCC2)C[N@@H+]1CCCC(=O)[O-] ZINC000380242448 366562217 /nfs/dbraw/zinc/56/22/17/366562217.db2.gz NLZDQVIIEFETCI-SNVBAGLBSA-N 0 0 211.305 2.116 10 0 BEAERN Cc1c(N)cccc1N[C@H]1CCSC1 ZINC000231344979 359858428 /nfs/dbraw/zinc/85/84/28/359858428.db2.gz LJOGLNIITVEQST-VIFPVBQESA-N 0 0 208.330 2.495 10 0 BEAERN C[C@H](Nc1ccncc1F)[C@H]1CCCO1 ZINC000309158759 491145709 /nfs/dbraw/zinc/14/57/09/491145709.db2.gz YEQDFVHQGQWOQH-GZMMTYOYSA-N 0 0 210.252 2.200 10 0 BEAERN C[C@@H]1CC[C@]1(CC(=O)[O-])[NH+]1CCCCC1 ZINC000306446550 360010288 /nfs/dbraw/zinc/01/02/88/360010288.db2.gz VBRXWWMTXMMLPK-ZYHUDNBSSA-N 0 0 211.305 2.116 10 0 BEAERN CC(C)[C@@H](C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000089973750 360050404 /nfs/dbraw/zinc/05/04/04/360050404.db2.gz MRLXSAVMXKNZTC-WCQYABFASA-N 0 0 239.359 2.306 10 0 BEAERN COc1ncccc1[C@@H]1CCC(=O)[C@H]1C ZINC000306450499 360020822 /nfs/dbraw/zinc/02/08/22/360020822.db2.gz CHMLHUGCWFEHLH-DTWKUNHWSA-N 0 0 205.257 2.173 10 0 BEAERN N[C@]1(C(F)(F)F)CCCc2occc21 ZINC000169277886 360046460 /nfs/dbraw/zinc/04/64/60/360046460.db2.gz JIHXJDLPMFVZOB-MRVPVSSYSA-N 0 0 205.179 2.332 10 0 BEAERN N[C@H](c1ccco1)c1cncc(Cl)c1 ZINC000306472604 360100105 /nfs/dbraw/zinc/10/01/05/360100105.db2.gz CJQWPNAHOWZJBL-JTQLQIEISA-N 0 0 208.648 2.376 10 0 BEAERN CC(C)[C@H](C)NC(=O)CSCC(F)(F)F ZINC000090113724 360057849 /nfs/dbraw/zinc/05/78/49/360057849.db2.gz WHHZXJAIDZGIGX-ZETCQYMHSA-N 0 0 243.294 2.443 10 0 BEAERN O=C1CCCCC[C@H]1Cc1cnns1 ZINC000306462508 360073928 /nfs/dbraw/zinc/07/39/28/360073928.db2.gz HRUQDMRDBNFZNW-QMMMGPOBSA-N 0 0 210.302 2.230 10 0 BEAERN OCC1(CCOCc2ccccc2)CC1 ZINC000306469371 360086231 /nfs/dbraw/zinc/08/62/31/360086231.db2.gz PMTGFBWNLAQJJF-UHFFFAOYSA-N 0 0 206.285 2.366 10 0 BEAERN Clc1nc(N[C@H]2CCCOC2)cs1 ZINC000306475704 360109738 /nfs/dbraw/zinc/10/97/38/360109738.db2.gz XLWFIDUVKXQOFN-LURJTMIESA-N 0 0 218.709 2.387 10 0 BEAERN Cc1csc([C@@H](O)Cc2ncc[nH]2)c1 ZINC000306479805 360119533 /nfs/dbraw/zinc/11/95/33/360119533.db2.gz BNKYYYLYJVEAPW-QMMMGPOBSA-N 0 0 208.286 2.056 10 0 BEAERN OC[C@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306487613 360171015 /nfs/dbraw/zinc/17/10/15/360171015.db2.gz UEOGZASYOOTFIN-RITPCOANSA-N 0 0 219.693 2.009 10 0 BEAERN CCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000093470492 360245919 /nfs/dbraw/zinc/24/59/19/360245919.db2.gz KLWWIXHWXLRGHH-UPJWGTAASA-N 0 0 239.359 2.329 10 0 BEAERN CN(CC(F)F)c1cc(Cl)nc(Cl)n1 ZINC000306500739 360296747 /nfs/dbraw/zinc/29/67/47/360296747.db2.gz OXAYKCFVHGLIJW-UHFFFAOYSA-N 0 0 242.056 2.485 10 0 BEAERN O[C@H](c1csc(Cl)c1)c1cnccn1 ZINC000306524588 360369602 /nfs/dbraw/zinc/36/96/02/360369602.db2.gz YZAOECYGKOPPJS-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN Clc1nnc(-c2cncc(Cl)c2)o1 ZINC000306529922 360374519 /nfs/dbraw/zinc/37/45/19/360374519.db2.gz IXFHZHHQUDYJHI-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN CC(=O)c1ccc(N2CC=CC2)c(F)c1 ZINC000306530075 360376828 /nfs/dbraw/zinc/37/68/28/360376828.db2.gz CWDFHLHFKXXIQR-UHFFFAOYSA-N 0 0 205.232 2.405 10 0 BEAERN CC(C)N(C)C(=O)c1cc(Cl)ns1 ZINC000306532014 360390963 /nfs/dbraw/zinc/39/09/63/360390963.db2.gz GDPWUYPWKFVTTQ-UHFFFAOYSA-N 0 0 218.709 2.277 10 0 BEAERN Clc1cncc(N[C@H]2C[C@H]2C2CC2)n1 ZINC000306531293 360393631 /nfs/dbraw/zinc/39/36/31/360393631.db2.gz FNJRNUXCLYIWEM-YUMQZZPRSA-N 0 0 209.680 2.340 10 0 BEAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@]1(C)CCCS1 ZINC000306520911 360358719 /nfs/dbraw/zinc/35/87/19/360358719.db2.gz LUDOXYBMAANGDE-NGZCFLSTSA-N 0 0 213.346 2.043 10 0 BEAERN Cc1cc([C@H](N)c2occc2C)sn1 ZINC000306562927 360439940 /nfs/dbraw/zinc/43/99/40/360439940.db2.gz VDNCAAFURFZNBP-VIFPVBQESA-N 0 0 208.286 2.401 10 0 BEAERN Cn1cnc(-c2ccc(F)cc2C=O)c1 ZINC000306564661 360442680 /nfs/dbraw/zinc/44/26/80/360442680.db2.gz XAVFIONJVABAEU-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN OCc1ccc(N2CCC2)c(Br)c1 ZINC000306537726 360403391 /nfs/dbraw/zinc/40/33/91/360403391.db2.gz RSWLUMDSFOWUKM-UHFFFAOYSA-N 0 0 242.116 2.152 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H]2CCC[C@@H](O)C2)c1 ZINC000614143531 363733752 /nfs/dbraw/zinc/73/37/52/363733752.db2.gz RQAHSWCHPQCDOC-QWHCGFSZSA-N 0 0 247.338 2.337 10 0 BEAERN C[C@H]1CSCCN1CC(=O)c1cccs1 ZINC000069761247 360409201 /nfs/dbraw/zinc/40/92/01/360409201.db2.gz QKLRHFQUNYMBJQ-VIFPVBQESA-N 0 0 241.381 2.368 10 0 BEAERN Cc1nc(N2CCSC[C@H]2C)sc1C=O ZINC000069762139 360423487 /nfs/dbraw/zinc/42/34/87/360423487.db2.gz FHMZWSNDJXFWJW-SSDOTTSWSA-N 0 0 242.369 2.206 10 0 BEAERN Cc1csc(-n2ccc(Br)n2)n1 ZINC000306551305 360424770 /nfs/dbraw/zinc/42/47/70/360424770.db2.gz ACZBJUWDYBSIAB-UHFFFAOYSA-N 0 0 244.117 2.400 10 0 BEAERN C[C@@H]1CCN(c2ccc(C=O)cn2)[C@@H]1C ZINC000306553955 360426735 /nfs/dbraw/zinc/42/67/35/360426735.db2.gz LBNCIUQPLRBZJC-NXEZZACHSA-N 0 0 204.273 2.129 10 0 BEAERN Cc1cccc(OCc2csnn2)c1 ZINC000306559680 360433959 /nfs/dbraw/zinc/43/39/59/360433959.db2.gz APNFMPVBRGUASK-UHFFFAOYSA-N 0 0 206.270 2.426 10 0 BEAERN C[C@@H](NC1=N[C@@H](C)CCS1)C(F)(F)F ZINC000306559586 360434011 /nfs/dbraw/zinc/43/40/11/360434011.db2.gz QQXDYRCOPHWKIC-NTSWFWBYSA-N 0 0 226.267 2.408 10 0 BEAERN Cc1nsc(N[C@@H](C)C(C)(F)F)n1 ZINC000306560590 360434659 /nfs/dbraw/zinc/43/46/59/360434659.db2.gz RWRPKFXZVVJLLI-BYPYZUCNSA-N 0 0 207.249 2.302 10 0 BEAERN COc1ccsc1[C@@H](O)c1ccns1 ZINC000306589400 360494306 /nfs/dbraw/zinc/49/43/06/360494306.db2.gz UIPPNTSIGMTHJF-QMMMGPOBSA-N 0 0 227.310 2.295 10 0 BEAERN NC(=S)c1ccc(NCCF)cc1Cl ZINC000306570438 360453649 /nfs/dbraw/zinc/45/36/49/360453649.db2.gz YNVWPIDPPQBMAE-UHFFFAOYSA-N 0 0 232.711 2.356 10 0 BEAERN c1nc2ncnc(NCC3CCCCC3)c2[nH]1 ZINC000034065024 360454843 /nfs/dbraw/zinc/45/48/43/360454843.db2.gz TWNYVXWYJQBLCA-UHFFFAOYSA-N 0 0 231.303 2.345 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=S)Nc1ccsc1 ZINC000306574272 360462631 /nfs/dbraw/zinc/46/26/31/360462631.db2.gz RFPSVVZWESOBPG-SVRRBLITSA-N 0 0 212.343 2.443 10 0 BEAERN OCC1(Nc2ccccc2Cl)CSC1 ZINC000306573839 360463132 /nfs/dbraw/zinc/46/31/32/360463132.db2.gz IKIXNPKOTSQUCR-UHFFFAOYSA-N 0 0 229.732 2.230 10 0 BEAERN O=C(C[C@@H]1CCC(F)(F)C1)[C@@H]1CCOC1 ZINC000300827071 360523853 /nfs/dbraw/zinc/52/38/53/360523853.db2.gz GWTMVQJOMBDFSF-DTWKUNHWSA-N 0 0 218.243 2.418 10 0 BEAERN O[C@H](Cc1sccc1Cl)c1cn[nH]c1 ZINC000306601925 360530091 /nfs/dbraw/zinc/53/00/91/360530091.db2.gz UYOPVFQYHIZWHG-MRVPVSSYSA-N 0 0 228.704 2.401 10 0 BEAERN OC1(C[C@H]2CCCC2(F)F)CSC1 ZINC000306595030 360512823 /nfs/dbraw/zinc/51/28/23/360512823.db2.gz XRAOZBTVXJECLB-SSDOTTSWSA-N 0 0 208.273 2.290 10 0 BEAERN CC(C)[C@@](C)(CO)Nc1nsnc1Cl ZINC000306595061 360515141 /nfs/dbraw/zinc/51/51/41/360515141.db2.gz XRTQARULJQDKSY-MRVPVSSYSA-N 0 0 235.740 2.010 10 0 BEAERN OC1(Cc2csc(Cl)c2)CSC1 ZINC000306595253 360516090 /nfs/dbraw/zinc/51/60/90/360516090.db2.gz XTQHULAZLHUWOS-UHFFFAOYSA-N 0 0 220.746 2.422 10 0 BEAERN CCc1cc(N2CCC(=O)C2)ccc1C ZINC000300816642 360517400 /nfs/dbraw/zinc/51/74/00/360517400.db2.gz AACHGUMRSFSRFN-UHFFFAOYSA-N 0 0 203.285 2.337 10 0 BEAERN CC(C)n1nccc1[C@@H]1NCCCS1 ZINC000306596286 360517644 /nfs/dbraw/zinc/51/76/44/360517644.db2.gz MHFNAVUHOBXHDA-SNVBAGLBSA-N 0 0 211.334 2.189 10 0 BEAERN O=C(c1ccc2c(c1)OCO2)C1CCC1 ZINC000036157535 360682597 /nfs/dbraw/zinc/68/25/97/360682597.db2.gz PAAOIPJMRCGTBA-UHFFFAOYSA-N 0 0 204.225 2.398 10 0 BEAERN CCCCCCC(=O)/C=C1\CCC(=O)N1 ZINC000379702038 360659852 /nfs/dbraw/zinc/65/98/52/360659852.db2.gz WHNQEORESWUCPI-MDZDMXLPSA-N 0 0 209.289 2.320 10 0 BEAERN NC(=O)c1ccccc1Oc1ccc(Cl)nn1 ZINC000037977882 181306279 /nfs/dbraw/zinc/30/62/79/181306279.db2.gz KTMKRYYTZJZCAW-UHFFFAOYSA-N 0 0 249.657 2.021 10 0 BEAERN NC(=O)c1ccccc1Oc1ccnc(Cl)n1 ZINC000051848972 181306731 /nfs/dbraw/zinc/30/67/31/181306731.db2.gz GGBJZBLDHJROPO-UHFFFAOYSA-N 0 0 249.657 2.021 10 0 BEAERN CCOC(=O)c1cc(C)c(F)c(F)c1 ZINC000238254303 360761708 /nfs/dbraw/zinc/76/17/08/360761708.db2.gz DCUQKUKGOIFTBX-UHFFFAOYSA-N 0 0 200.184 2.450 10 0 BEAERN CCOC(=O)c1cc(Cl)c(OC)cc1O ZINC000238256613 360762995 /nfs/dbraw/zinc/76/29/95/360762995.db2.gz JTJLIYCKGDKMLO-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN COc1nc(C(=O)c2ccc(C)o2)cs1 ZINC000306611062 360792239 /nfs/dbraw/zinc/79/22/39/360792239.db2.gz LLHYWEBOIQHJOM-UHFFFAOYSA-N 0 0 223.253 2.284 10 0 BEAERN NC(=S)CC(=S)Nc1ccccc1 ZINC000033373267 181315648 /nfs/dbraw/zinc/31/56/48/181315648.db2.gz DSXOAIBPGXALHU-UHFFFAOYSA-N 0 0 210.327 2.102 10 0 BEAERN COC(=O)c1csc2nc(C)nc(Cl)c12 ZINC000238340983 360910035 /nfs/dbraw/zinc/91/00/35/360910035.db2.gz LKPAKUJKXMZFIS-UHFFFAOYSA-N 0 0 242.687 2.440 10 0 BEAERN NC(=S)CCOc1ccc(F)c(F)c1 ZINC000036749960 181316434 /nfs/dbraw/zinc/31/64/34/181316434.db2.gz ONVSWXZXBOVGGZ-UHFFFAOYSA-N 0 0 217.240 2.020 10 0 BEAERN CCc1ccc(C(=O)[C@H]2CCOC2)cc1 ZINC000040941712 360914835 /nfs/dbraw/zinc/91/48/35/360914835.db2.gz AKEPXVFVZKZCCA-LBPRGKRZSA-N 0 0 204.269 2.468 10 0 BEAERN NC(=S)Cc1ccc(Br)s1 ZINC000019413267 181317309 /nfs/dbraw/zinc/31/73/09/181317309.db2.gz ZTLGLANIYZRSAG-UHFFFAOYSA-N 0 0 236.159 2.339 10 0 BEAERN NC(=S)COc1cc(Cl)ccc1F ZINC000083350193 181316617 /nfs/dbraw/zinc/31/66/17/181316617.db2.gz DMBNJTBJUMPSBJ-UHFFFAOYSA-N 0 0 219.668 2.144 10 0 BEAERN COc1cc(F)nc(OC(F)(F)F)c1 ZINC000238360236 360931657 /nfs/dbraw/zinc/93/16/57/360931657.db2.gz QFDAFMAGELRBOT-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN NC(=S)Nc1cccc(Br)c1F ZINC000075903239 181319841 /nfs/dbraw/zinc/31/98/41/181319841.db2.gz HVTLPAZDFNLALK-UHFFFAOYSA-N 0 0 249.108 2.244 10 0 BEAERN NC(=S)c1cc(C(F)(F)F)ccc1F ZINC000083352360 181320735 /nfs/dbraw/zinc/32/07/35/181320735.db2.gz PVVMCRBDRYNXBI-UHFFFAOYSA-N 0 0 223.194 2.479 10 0 BEAERN COc1ncc(C)cc1OC(F)(F)F ZINC000238408184 360996649 /nfs/dbraw/zinc/99/66/49/360996649.db2.gz XYCARIWOVPZZLD-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN O=Cc1c[nH]c(-c2ccc(F)c(F)c2)n1 ZINC000069906719 361002145 /nfs/dbraw/zinc/00/21/45/361002145.db2.gz VOPYJILHPQNGIE-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN Cc1ccc(F)cc1-c1nc(C=O)c[nH]1 ZINC000069906788 361002168 /nfs/dbraw/zinc/00/21/68/361002168.db2.gz RVAHCURZSXLQRU-UHFFFAOYSA-N 0 0 204.204 2.337 10 0 BEAERN NC(=S)c1c(F)ccc2cccnc21 ZINC000075851787 181320498 /nfs/dbraw/zinc/32/04/98/181320498.db2.gz LGYIAKIXFXDEGA-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN C[C@@H]1CC(=O)c2cc(F)cc(F)c2[S@]1=O ZINC000040973313 360982946 /nfs/dbraw/zinc/98/29/46/360982946.db2.gz HEULPHCTOYNEFF-MQWCLQQTSA-N 0 0 230.235 2.047 10 0 BEAERN Cc1cccc2c1[S@@](=O)[C@@H](C)CC2=O ZINC000040973384 360984056 /nfs/dbraw/zinc/98/40/56/360984056.db2.gz IIRGZLJESHIRMI-RMLUDKJBSA-N 0 0 208.282 2.078 10 0 BEAERN COc1nc(F)ccc1OC(F)(F)F ZINC000238387398 360988407 /nfs/dbraw/zinc/98/84/07/360988407.db2.gz KAAZGRKQVKGEBD-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1ccc(OC(F)F)c(OC)c1 ZINC000238385167 360989110 /nfs/dbraw/zinc/98/91/10/360989110.db2.gz MHQODLDTMLNWOG-UHFFFAOYSA-N 0 0 204.172 2.305 10 0 BEAERN NC(=S)c1ccnc(N2CCCCCCC2)c1 ZINC000020266063 181321293 /nfs/dbraw/zinc/32/12/93/181321293.db2.gz MRNZBXFNYJPKNE-UHFFFAOYSA-N 0 0 249.383 2.486 10 0 BEAERN NC(=S)c1ccccc1NCc1ccccn1 ZINC000020077045 181321860 /nfs/dbraw/zinc/32/18/60/181321860.db2.gz YYOWYWJTQLEKDE-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN NC(=S)c1cccnc1NC1CCCC1 ZINC000019469996 181322070 /nfs/dbraw/zinc/32/20/70/181322070.db2.gz AOKSUOJZQURHPQ-UHFFFAOYSA-N 0 0 221.329 2.070 10 0 BEAERN NC(=S)c1ccnc(OC2CCCCC2)c1 ZINC000019805837 181322137 /nfs/dbraw/zinc/32/21/37/181322137.db2.gz RDKPWWXSCGUGKL-UHFFFAOYSA-N 0 0 236.340 2.427 10 0 BEAERN NC(=S)c1nc2ccc(F)cc2s1 ZINC000075851812 181322179 /nfs/dbraw/zinc/32/21/79/181322179.db2.gz IHFBMDCCRAANFR-UHFFFAOYSA-N 0 0 212.274 2.070 10 0 BEAERN NC(=S)c1cccnc1N1CCCCCC1 ZINC000019423419 181322193 /nfs/dbraw/zinc/32/21/93/181322193.db2.gz QQJLDYYXONRVQI-UHFFFAOYSA-N 0 0 235.356 2.096 10 0 BEAERN CCCCC(=O)N(CCC)C[C@@H]1CCOC1 ZINC000169762898 361071134 /nfs/dbraw/zinc/07/11/34/361071134.db2.gz IWXCSZJWEJJTCF-LBPRGKRZSA-N 0 0 227.348 2.452 10 0 BEAERN Cc1cc(Br)c(F)cc1CO ZINC000238457625 361079421 /nfs/dbraw/zinc/07/94/21/361079421.db2.gz DQQASWNAXLCGPT-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Cc1nc(Cl)nc(N2CCCC2)c1C ZINC000238521807 361139481 /nfs/dbraw/zinc/13/94/81/361139481.db2.gz BRQREIPUPGXDJV-UHFFFAOYSA-N 0 0 211.696 2.347 10 0 BEAERN O=Cc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238529844 361140718 /nfs/dbraw/zinc/14/07/18/361140718.db2.gz KSJIPIZTUSWBFN-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN CCc1nc(N)[nH]c(=O)c1-c1ccc(Cl)cc1 ZINC000036488212 361162367 /nfs/dbraw/zinc/16/23/67/361162367.db2.gz KTEOTBKBKDEYDF-UHFFFAOYSA-N 0 0 249.701 2.235 10 0 BEAERN Cc1cc(N[C@@H](C)C(C)(C)O)nc(Cl)n1 ZINC000306616703 361171342 /nfs/dbraw/zinc/17/13/42/361171342.db2.gz PCUTUSCIECTDER-ZETCQYMHSA-N 0 0 229.711 2.010 10 0 BEAERN Nc1ncc(Cl)cc1C[C@H]1CCCO1 ZINC000069943678 361175339 /nfs/dbraw/zinc/17/53/39/361175339.db2.gz PTECUFSANOPWGD-SECBINFHSA-N 0 0 212.680 2.039 10 0 BEAERN CNc1nnc(-c2nnc(C)o2)c2ccccc21 ZINC000065258117 361181946 /nfs/dbraw/zinc/18/19/46/361181946.db2.gz FATLFSVXXSJSHQ-UHFFFAOYSA-N 0 0 241.254 2.030 10 0 BEAERN CCn1ccnc1C(=O)c1ccoc1C ZINC000041048408 361187568 /nfs/dbraw/zinc/18/75/68/361187568.db2.gz FETWLCABKUNNED-UHFFFAOYSA-N 0 0 204.229 2.035 10 0 BEAERN Nc1cc(C(=O)OC(F)F)ccc1Cl ZINC000041047968 361188613 /nfs/dbraw/zinc/18/86/13/361188613.db2.gz AWEOGVZVCGTRJL-UHFFFAOYSA-N 0 0 221.590 2.302 10 0 BEAERN N[C@H](c1nccs1)c1cccc(F)c1 ZINC000041059840 361222404 /nfs/dbraw/zinc/22/24/04/361222404.db2.gz XLMZMRDAHFBBFR-VIFPVBQESA-N 0 0 208.261 2.330 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1csc(C2CC2)n1 ZINC000171048818 361232801 /nfs/dbraw/zinc/23/28/01/361232801.db2.gz LVZGYOJWHMJYRX-XPUUQOCRSA-N 0 0 222.313 2.159 10 0 BEAERN COc1ccncc1C[C@@H]1CCCC1=O ZINC000306624905 361284882 /nfs/dbraw/zinc/28/48/82/361284882.db2.gz GDUUMXLFNHZQQG-VIFPVBQESA-N 0 0 205.257 2.002 10 0 BEAERN CC(Cl)(Cl)C(=O)N[C@@H]1CC1(C)C ZINC000306625900 361291450 /nfs/dbraw/zinc/29/14/50/361291450.db2.gz HGGLQPDQCOQSBP-RXMQYKEDSA-N 0 0 210.104 2.095 10 0 BEAERN Cc1cc(Cl)ccc1NC[C@H](O)CF ZINC000306628112 361298744 /nfs/dbraw/zinc/29/87/44/361298744.db2.gz JHWVVBJPWDPEOG-SECBINFHSA-N 0 0 217.671 2.391 10 0 BEAERN CC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000614233802 363751906 /nfs/dbraw/zinc/75/19/06/363751906.db2.gz DRFKFJNCNKDRLK-JGPRNRPPSA-N 0 0 207.317 2.339 10 0 BEAERN O=c1cc(Br)c(Cl)c[nH]1 ZINC000238727126 361372361 /nfs/dbraw/zinc/37/23/61/361372361.db2.gz BBRYHLBHGVKBQE-UHFFFAOYSA-N 0 0 208.442 2.203 10 0 BEAERN Clc1cnnc(N2CCCC2)c1Cl ZINC000306632010 361363095 /nfs/dbraw/zinc/36/30/95/361363095.db2.gz OKFHRBAWAWNGDQ-UHFFFAOYSA-N 0 0 218.087 2.384 10 0 BEAERN O=c1cc(OC(F)(F)F)cc(Cl)[nH]1 ZINC000238707485 361364254 /nfs/dbraw/zinc/36/42/54/361364254.db2.gz DBFGDHKYYDDSBJ-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN COc1ccc(Cl)c(-c2cnc(=O)[nH]c2)c1 ZINC000065344747 361394093 /nfs/dbraw/zinc/39/40/93/361394093.db2.gz PSLBRDPKFQGQBL-UHFFFAOYSA-N 0 0 236.658 2.099 10 0 BEAERN O=C1NC(=O)C2(CCCC2)N1Cc1ccccc1 ZINC000070064841 361396766 /nfs/dbraw/zinc/39/67/66/361396766.db2.gz DVZAEJLWMLLOQC-UHFFFAOYSA-N 0 0 244.294 2.051 10 0 BEAERN N[C@H](c1ncon1)c1ccc(C(F)(F)F)cc1 ZINC000036761943 361397701 /nfs/dbraw/zinc/39/77/01/361397701.db2.gz IKCRHTJRORKQSE-QMMMGPOBSA-N 0 0 243.188 2.137 10 0 BEAERN N[C@@H](c1noc(C(F)(F)F)n1)c1ccccc1 ZINC000036764870 361398059 /nfs/dbraw/zinc/39/80/59/361398059.db2.gz HVPHNJOPOUKRET-SSDOTTSWSA-N 0 0 243.188 2.137 10 0 BEAERN CO[C@H](C)CSCc1nnc(C(C)C)n1C ZINC000181161784 366791975 /nfs/dbraw/zinc/79/19/75/366791975.db2.gz MEDHGZLJCDRSJB-SECBINFHSA-N 0 0 243.376 2.207 10 0 BEAERN CCc1cccc(CC(=O)NCCCF)c1 ZINC000133625948 491158152 /nfs/dbraw/zinc/15/81/52/491158152.db2.gz WFXLLLIRCWWXOO-UHFFFAOYSA-N 0 0 223.291 2.267 10 0 BEAERN CCC(F)(F)CNC[C@H](O)C(C)(C)C ZINC000629595874 361484077 /nfs/dbraw/zinc/48/40/77/361484077.db2.gz ZBDUKVGQZPHSME-QMMMGPOBSA-N 0 0 209.280 2.028 10 0 BEAERN Cc1cc(O)cc(NC(=O)[C@H]2OCC[C@H]2C)c1 ZINC000629629945 361518018 /nfs/dbraw/zinc/51/80/18/361518018.db2.gz NBQUSVJBMQUBBN-SKDRFNHKSA-N 0 0 235.283 2.064 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)c2cnccn2)C1 ZINC000070559176 361536357 /nfs/dbraw/zinc/53/63/57/361536357.db2.gz KVARFAOUHDDGNL-VHSXEESVSA-N 0 0 204.273 2.486 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)c2ccncn2)C1 ZINC000070566412 361560952 /nfs/dbraw/zinc/56/09/52/361560952.db2.gz ALHFEGWNIOIIDB-ZJUUUORDSA-N 0 0 204.273 2.486 10 0 BEAERN CCc1nc(-c2noc(Cl)n2)cs1 ZINC000306639870 361593440 /nfs/dbraw/zinc/59/34/40/361593440.db2.gz ITADHMLCWPKXHP-UHFFFAOYSA-N 0 0 215.665 2.409 10 0 BEAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)C ZINC000153127817 201220412 /nfs/dbraw/zinc/22/04/12/201220412.db2.gz DCRLIJQQSYLIQZ-MNOVXSKESA-N 0 0 242.363 2.145 10 0 BEAERN O=[N+]([O-])c1ccc(Cl)nc1OCC1CC1 ZINC000036925817 361579749 /nfs/dbraw/zinc/57/97/49/361579749.db2.gz ZZUVEFYEPQXYSQ-UHFFFAOYSA-N 0 0 228.635 2.432 10 0 BEAERN CC(C)[N@@H+]1CCc2[nH]c(=S)sc2C1 ZINC000070598213 361581544 /nfs/dbraw/zinc/58/15/44/361581544.db2.gz KBBBXPGQOYGYJC-UHFFFAOYSA-N 0 0 214.359 2.198 10 0 BEAERN CCn1cc(C2=NC(=S)SC2)cn1 ZINC000070598236 361581888 /nfs/dbraw/zinc/58/18/88/361581888.db2.gz FTKUQZDMVHCWIM-UHFFFAOYSA-N 0 0 211.315 2.315 10 0 BEAERN Clc1nccn2c(-c3ccco3)nnc12 ZINC000070616298 361632869 /nfs/dbraw/zinc/63/28/69/361632869.db2.gz SDGLHCJBRINDHF-UHFFFAOYSA-N 0 0 220.619 2.038 10 0 BEAERN CC[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000249347241 325645237 /nfs/dbraw/zinc/64/52/37/325645237.db2.gz FIRGIVZVCVEJQC-SDDRHHMPSA-N 0 0 227.348 2.090 10 0 BEAERN Cc1cc(F)c(C(=O)N[C@H]2C[C@@H]2C)cc1F ZINC000133875852 491160921 /nfs/dbraw/zinc/16/09/21/491160921.db2.gz DJOWRKHHBGMBBQ-CPCISQLKSA-N 0 0 225.238 2.411 10 0 BEAERN CCc1ccc(OC)c(OC)c1C(C)=O ZINC000214896507 363882545 /nfs/dbraw/zinc/88/25/45/363882545.db2.gz ADOKBCMNCJWLSP-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CC[C@@H]1CC[C@@]2(C1)O[C@@]2(Cl)C(=O)OC ZINC000233913086 541308260 /nfs/dbraw/zinc/30/82/60/541308260.db2.gz WPGCOQAXCKFZHO-JEZHCXPESA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@@]12CCC2(C)C ZINC000306339208 541312562 /nfs/dbraw/zinc/31/25/62/541312562.db2.gz YSPJHPISWYLHEL-NEPJUHHUSA-N 0 0 212.289 2.143 10 0 BEAERN CCCC(=O)C[C@@H](C(=O)OC)C(=O)C(C)(C)C ZINC000725248269 541330311 /nfs/dbraw/zinc/33/03/11/541330311.db2.gz PWEGWXXNFAEDPN-SNVBAGLBSA-N 0 0 242.315 2.150 10 0 BEAERN CCOC(=O)[C@@H](CC(=O)[C@H](C)CC)C(=O)CC ZINC000725248296 541330397 /nfs/dbraw/zinc/33/03/97/541330397.db2.gz QGRFBXNAJOIDTF-ZJUUUORDSA-N 0 0 242.315 2.150 10 0 BEAERN Cc1ncccc1C(=O)Cc1cncs1 ZINC000161830453 364035257 /nfs/dbraw/zinc/03/52/57/364035257.db2.gz GDYDBWKPPDVJBY-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN C[C@@H]1C[C@@H](C)[C@@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC000725262110 541335190 /nfs/dbraw/zinc/33/51/90/541335190.db2.gz XALJRSYFAUVNHU-GMTAPVOTSA-N 0 0 243.347 2.260 10 0 BEAERN CCN(C(=O)N[C@H](C)C(C)C)C(C)C ZINC000170748472 364151996 /nfs/dbraw/zinc/15/19/96/364151996.db2.gz SDBPSERXTBWHNP-SNVBAGLBSA-N 0 0 200.326 2.471 10 0 BEAERN COc1cccc2c1N[C@@H](CC1CC1)[C@H](O)C2 ZINC000725268679 541337978 /nfs/dbraw/zinc/33/79/78/541337978.db2.gz YEYMDMRAIPMOGZ-NWDGAFQWSA-N 0 0 233.311 2.193 10 0 BEAERN CCC(C)(C)[C@@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000725268689 541338303 /nfs/dbraw/zinc/33/83/03/541338303.db2.gz YIXJRVSOJXBPBZ-QWHCGFSZSA-N 0 0 234.343 2.403 10 0 BEAERN Cc1cccc(OCCNC(=O)N[C@H]2C[C@H]2C)c1 ZINC000170793411 364245358 /nfs/dbraw/zinc/24/53/58/364245358.db2.gz YJDTZVZTCZINMR-YPMHNXCESA-N 0 0 248.326 2.081 10 0 BEAERN [NH3+]CC1(CC(=O)[O-])C[C@@H]2CCCC[C@H]2C1 ZINC000034381098 181359428 /nfs/dbraw/zinc/35/94/28/181359428.db2.gz ONKWZNBXHSMMDK-UWVGGRQHSA-N 0 0 211.305 2.006 10 0 BEAERN CCOC(=O)C[C@@H](OCC)c1ccc(N)cc1 ZINC000116390972 370767179 /nfs/dbraw/zinc/76/71/79/370767179.db2.gz IPAGVUGHCHZOBW-GFCCVEGCSA-N 0 0 237.299 2.300 10 0 BEAERN CCc1noc(C)c1NC(=O)c1ccncc1 ZINC000132830049 364273154 /nfs/dbraw/zinc/27/31/54/364273154.db2.gz FZSMDSDWTHIGEJ-UHFFFAOYSA-N 0 0 231.255 2.193 10 0 BEAERN CC(C)SCC(=O)c1ccc(O)cc1O ZINC000037687510 364516998 /nfs/dbraw/zinc/51/69/98/364516998.db2.gz DERSMGBDKLOGEE-UHFFFAOYSA-N 0 0 226.297 2.422 10 0 BEAERN COC[C@@H](C)C(=O)NC1(C)CCCCC1 ZINC000171459054 364868410 /nfs/dbraw/zinc/86/84/10/364868410.db2.gz HNUDMAIHUIZGBP-SNVBAGLBSA-N 0 0 213.321 2.108 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)c1ccc(F)cc1 ZINC000306738130 541423128 /nfs/dbraw/zinc/42/31/28/541423128.db2.gz AGEYAVXNDVKWPU-KCJUWKMLSA-N 0 0 212.289 2.396 10 0 BEAERN C[C@H]1CSC[C@]1(O)c1ccc(F)cc1 ZINC000306738126 541423150 /nfs/dbraw/zinc/42/31/50/541423150.db2.gz AGEYAVXNDVKWPU-GZMMTYOYSA-N 0 0 212.289 2.396 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC[C@H](C)[C@H]2C ZINC000250714114 541440268 /nfs/dbraw/zinc/44/02/68/541440268.db2.gz ZQQPYUNJELPDPA-WYFGTUCQSA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(=O)[C@@H](O)C1(F)CCC(C(C)C)CC1 ZINC000675053937 541433277 /nfs/dbraw/zinc/43/32/77/541433277.db2.gz RBRMPXRCCIIYER-QWKFWESOSA-N 0 0 246.322 2.465 10 0 BEAERN Cc1cnccc1C(=O)Cc1ccco1 ZINC000130703166 365222342 /nfs/dbraw/zinc/22/23/42/365222342.db2.gz PUUDWYIYHKYGNM-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN COC[C@H](C)SCc1nnc(C(C)C)n1C ZINC000182356395 366890311 /nfs/dbraw/zinc/89/03/11/366890311.db2.gz RUVMRUWSKGFWQJ-VIFPVBQESA-N 0 0 243.376 2.207 10 0 BEAERN O=C([O-])[C@H]1CC[C@H](C2CCC(F)(F)CC2)C[NH2+]1 ZINC000675060491 541463376 /nfs/dbraw/zinc/46/33/76/541463376.db2.gz ZKDIEWRXHRCJGG-VHSXEESVSA-N 0 0 247.285 2.265 10 0 BEAERN C[C@@H]1CC[C@H](C)c2c[nH+]c(N)c(C(=O)[O-])c21 ZINC000675063344 541464813 /nfs/dbraw/zinc/46/48/13/541464813.db2.gz COFIZMGCAOSIEO-NKWVEPMBSA-N 0 0 220.272 2.363 10 0 BEAERN CCC[C@@H]1CCc2c(c[nH+]c(N)c2C(=O)[O-])C1 ZINC000675063764 541465536 /nfs/dbraw/zinc/46/55/36/541465536.db2.gz NYOIPPLJVRNNHP-MRVPVSSYSA-N 0 0 234.299 2.267 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)[C@@H]1C[C@H]1C ZINC000321765518 541494446 /nfs/dbraw/zinc/49/44/46/541494446.db2.gz OQBYNMIWSARDJL-OPRDCNLKSA-N 0 0 214.305 2.247 10 0 BEAERN Cc1cc(Cl)ccc1[C@H]1CNC(=O)C1 ZINC000228773249 541493748 /nfs/dbraw/zinc/49/37/48/541493748.db2.gz MUAAPKYDFQRTLC-MRVPVSSYSA-N 0 0 209.676 2.252 10 0 BEAERN CNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179458546 541504455 /nfs/dbraw/zinc/50/44/55/541504455.db2.gz DROGJKFDTXNCML-LLVKDONJSA-N 0 0 222.263 2.132 10 0 BEAERN CCc1nn2c(c1C)NCC[C@@H]2C(F)F ZINC000234186758 541510967 /nfs/dbraw/zinc/51/09/67/541510967.db2.gz LZZOQKNCLUQCHB-MRVPVSSYSA-N 0 0 215.247 2.376 10 0 BEAERN CCc1nc2n(n1)[C@H](c1cccs1)CCN2 ZINC000234205294 541511948 /nfs/dbraw/zinc/51/19/48/541511948.db2.gz FFBOGCASWJIVDM-QMMMGPOBSA-N 0 0 234.328 2.307 10 0 BEAERN C=C(OCC)c1nc(Cl)ncc1F ZINC000143696648 541508970 /nfs/dbraw/zinc/50/89/70/541508970.db2.gz XLQBGHCEOGXTKN-UHFFFAOYSA-N 0 0 202.616 2.276 10 0 BEAERN CC[C@@H]1[C@@H](C)CNc2c3cccnc3nn21 ZINC000233929044 541509796 /nfs/dbraw/zinc/50/97/96/541509796.db2.gz GGDYHZHIMYQVDJ-WCBMZHEXSA-N 0 0 216.288 2.444 10 0 BEAERN CCOC(=O)[C@@H](CC)C(=O)[C@H]1CC1(C)C ZINC000233694054 541510010 /nfs/dbraw/zinc/51/00/10/541510010.db2.gz FYYWUVMOMFNMHS-DTWKUNHWSA-N 0 0 212.289 2.191 10 0 BEAERN CCc1nc2n(n1)[C@@H](CC)C[C@@H](CC)N2 ZINC000233956738 541510167 /nfs/dbraw/zinc/51/01/67/541510167.db2.gz UWRUUASOHDKARJ-BDAKNGLRSA-N 0 0 208.309 2.386 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]1(C)CC(C)(C)C ZINC000384767410 541515508 /nfs/dbraw/zinc/51/55/08/541515508.db2.gz OTHXUXZNIOGOBL-GHMZBOCLSA-N 0 0 200.278 2.143 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]1(C)CC(C)(C)C ZINC000384788740 541515355 /nfs/dbraw/zinc/51/53/55/541515355.db2.gz QWUJNORERFXIKD-UWVGGRQHSA-N 0 0 220.696 2.320 10 0 BEAERN COc1cncc(C(=O)[C@@H]2CCSC2)c1 ZINC000161654755 370818178 /nfs/dbraw/zinc/81/81/78/370818178.db2.gz NTSXGDOGNKBBRZ-MRVPVSSYSA-N 0 0 223.297 2.026 10 0 BEAERN COc1cncc(C(=O)[C@H]2CCSC2)c1 ZINC000161654883 370818207 /nfs/dbraw/zinc/81/82/07/370818207.db2.gz NTSXGDOGNKBBRZ-QMMMGPOBSA-N 0 0 223.297 2.026 10 0 BEAERN CC(C)c1nnc(CN(C)Cc2ccco2)n1C ZINC000195024151 367331323 /nfs/dbraw/zinc/33/13/23/367331323.db2.gz OQVRCCPDNZAIAU-UHFFFAOYSA-N 0 0 248.330 2.164 10 0 BEAERN CC(C)c1nnc(CN2CCC(C)CC2)n1C ZINC000195010971 367331876 /nfs/dbraw/zinc/33/18/76/367331876.db2.gz IEBWBGWZJPFUCQ-UHFFFAOYSA-N 0 0 236.363 2.170 10 0 BEAERN CC(C)c1nnc(CN2CCCC[C@H]2C)n1C ZINC000195011519 367332609 /nfs/dbraw/zinc/33/26/09/367332609.db2.gz DJQGJEMGHCHORG-LLVKDONJSA-N 0 0 236.363 2.313 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000384667583 367714094 /nfs/dbraw/zinc/71/40/94/367714094.db2.gz XGYRXHZQLIGSQJ-GRLWKWRFSA-N 0 0 224.304 2.200 10 0 BEAERN CC(C)[C@H](C)Nc1nc2ccccc2c(=O)[nH]1 ZINC000013863550 367932393 /nfs/dbraw/zinc/93/23/93/367932393.db2.gz UGZYHLPGJANVOW-VIFPVBQESA-N 0 0 231.299 2.380 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000527391888 367998800 /nfs/dbraw/zinc/99/88/00/367998800.db2.gz ZWNGVVQSPNRXQL-LLVKDONJSA-N 0 0 249.310 2.441 10 0 BEAERN CCOC(=O)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000527391588 367998956 /nfs/dbraw/zinc/99/89/56/367998956.db2.gz HEOLBETVOUWDPW-JTQLQIEISA-N 0 0 235.283 2.133 10 0 BEAERN C[C@H]([N@H+](C)Cc1nc(C(=O)[O-])co1)C(C)(C)C ZINC000387120090 368053923 /nfs/dbraw/zinc/05/39/23/368053923.db2.gz FYBFJBNROZUOOX-QMMMGPOBSA-N 0 0 240.303 2.239 10 0 BEAERN O[C@H](Cc1cncs1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252896894 368164081 /nfs/dbraw/zinc/16/40/81/368164081.db2.gz CHRSOZPLFIKMPU-PKIKSRDPSA-N 0 0 209.314 2.093 10 0 BEAERN C[C@@H]1Oc2c(ccc(Cl)c2F)[C@@H]1O ZINC000130738805 368138628 /nfs/dbraw/zinc/13/86/28/368138628.db2.gz GZDAFVMCUVCBHP-RNHFCUEFSA-N 0 0 202.612 2.293 10 0 BEAERN COc1ccc(-c2cnnc(SC)n2)cc1 ZINC000033864779 368322335 /nfs/dbraw/zinc/32/23/35/368322335.db2.gz ZLYZUYMSZPFXIK-UHFFFAOYSA-N 0 0 233.296 2.269 10 0 BEAERN CCOP(=O)(OCC)[C@@H]1CCCC1=O ZINC000038917662 368325115 /nfs/dbraw/zinc/32/51/15/368325115.db2.gz UPZGMBZVQRAJMW-SECBINFHSA-N 0 0 220.205 2.374 10 0 BEAERN CCOC(=O)C[C@@H]1CCc2ccc(N)cc2C1 ZINC000038976825 368327480 /nfs/dbraw/zinc/32/74/80/368327480.db2.gz IWPMLVBCNDVQAB-SNVBAGLBSA-N 0 0 233.311 2.327 10 0 BEAERN COC(=O)C[C@@H]1CCc2cc(O)ccc2C1 ZINC000038975384 368328089 /nfs/dbraw/zinc/32/80/89/368328089.db2.gz AFYWWBJQRXAUEQ-SECBINFHSA-N 0 0 220.268 2.060 10 0 BEAERN O=S(=O)(c1ccccc1)c1ccc(CO)cc1 ZINC000039294989 368330340 /nfs/dbraw/zinc/33/03/40/368330340.db2.gz CTJSJECQOXDNTO-UHFFFAOYSA-N 0 0 248.303 2.012 10 0 BEAERN CC[C@H](CC[C@H]1CCCO1)OC(C)=O ZINC000039366104 368330375 /nfs/dbraw/zinc/33/03/75/368330375.db2.gz QIVAMLXUNDMINC-GHMZBOCLSA-N 0 0 200.278 2.287 10 0 BEAERN OCc1ccc(OCc2ccccc2)cc1O ZINC000044199006 368332532 /nfs/dbraw/zinc/33/25/32/368332532.db2.gz ZXAHPLGUQWEZPA-UHFFFAOYSA-N 0 0 230.263 2.464 10 0 BEAERN CCOC(=O)C=C(N)CCc1ccccc1 ZINC000059145362 368333544 /nfs/dbraw/zinc/33/35/44/368333544.db2.gz KZGVHMPUUBBEFA-BENRWUELSA-N 0 0 219.284 2.025 10 0 BEAERN CC1(C)OCC(OCc2ccccc2)CO1 ZINC000060166485 368335956 /nfs/dbraw/zinc/33/59/56/368335956.db2.gz YGDVSEYYYUFBFE-UHFFFAOYSA-N 0 0 222.284 2.355 10 0 BEAERN CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000117291220 368343021 /nfs/dbraw/zinc/34/30/21/368343021.db2.gz SMASMAZNUSDUCO-UHFFFAOYSA-N 0 0 245.076 2.423 10 0 BEAERN COc1ccc(COc2coccc2=O)cc1 ZINC000118898467 368344643 /nfs/dbraw/zinc/34/46/43/368344643.db2.gz SEAQCIBXGPHEBH-UHFFFAOYSA-N 0 0 232.235 2.227 10 0 BEAERN COC(=O)[C@H](C)n1ccc2ccccc21 ZINC000118244799 368345368 /nfs/dbraw/zinc/34/53/68/368345368.db2.gz DJCGSEITTHKCGI-VIFPVBQESA-N 0 0 203.241 2.375 10 0 BEAERN Nc1nc2ccc(-c3cccnc3)nc2s1 ZINC000168153439 368352326 /nfs/dbraw/zinc/35/23/26/368352326.db2.gz FZAPPEYUWVVTMM-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN OCc1c(Cl)cc(O)cc1Br ZINC000222181666 368361966 /nfs/dbraw/zinc/36/19/66/368361966.db2.gz ARUHVGOYMQAHJU-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN CCOC(=O)c1ccn(-c2ccc(C)cc2)n1 ZINC000211776130 368398011 /nfs/dbraw/zinc/39/80/11/368398011.db2.gz VVXWOESYJGJDHQ-UHFFFAOYSA-N 0 0 230.267 2.357 10 0 BEAERN Cc1nc(-c2ccc(F)cc2)oc1CO ZINC000164713606 368395242 /nfs/dbraw/zinc/39/52/42/368395242.db2.gz SSDPOJKGHYPTQI-UHFFFAOYSA-N 0 0 207.204 2.281 10 0 BEAERN F/C(=C\I)C(F)F ZINC000217528237 368400803 /nfs/dbraw/zinc/40/08/03/368400803.db2.gz NPIYAKOYXRAKAR-UPHRSURJSA-N 0 0 221.947 2.497 10 0 BEAERN Brc1nnc([C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000253115492 368505848 /nfs/dbraw/zinc/50/58/48/368505848.db2.gz FQBZDTFBUKOOAT-FMCRUOTFSA-N 0 0 229.077 2.346 10 0 BEAERN COc1cccc2c1C(C)(C)C(=O)CC2 ZINC000000391306 368546010 /nfs/dbraw/zinc/54/60/10/368546010.db2.gz YYBPIXYOKIHDGL-UHFFFAOYSA-N 0 0 204.269 2.488 10 0 BEAERN CCn1ncc(Cl)c1[C@H](O)[C@H]1C[C@H]1C ZINC000253178769 368594155 /nfs/dbraw/zinc/59/41/55/368594155.db2.gz HJXRWKCUIKNVJG-MATHAZKKSA-N 0 0 214.696 2.246 10 0 BEAERN CCn1ncc(Cl)c1[C@H](O)[C@@H]1C[C@H]1C ZINC000253178768 368594384 /nfs/dbraw/zinc/59/43/84/368594384.db2.gz HJXRWKCUIKNVJG-BRDIYROLSA-N 0 0 214.696 2.246 10 0 BEAERN CCC(=O)N[C@@H]1Cc2cc(C)cc(C)c21 ZINC000001731633 368691576 /nfs/dbraw/zinc/69/15/76/368691576.db2.gz GWPVQPDUWYOJHX-LLVKDONJSA-N 0 0 203.285 2.427 10 0 BEAERN Brc1cccc(Cn2cnnc2)c1 ZINC000083130716 368743426 /nfs/dbraw/zinc/74/34/26/368743426.db2.gz WLYGOLFCOWXTRQ-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN CN(C)/N=C/c1ccccc1Br ZINC000003165478 368865804 /nfs/dbraw/zinc/86/58/04/368865804.db2.gz KOFKYSSSAUKDBD-YRNVUSSQSA-N 0 0 227.105 2.345 10 0 BEAERN COCCCN(C)C(=O)N[C@H](C)C(C)(C)C ZINC000112462814 368872511 /nfs/dbraw/zinc/87/25/11/368872511.db2.gz YAFYDUVQTIRHAE-SNVBAGLBSA-N 0 0 230.352 2.099 10 0 BEAERN CN(C)c1ccc([C@@H](O)Cc2ccncc2)cc1 ZINC000088527347 368915619 /nfs/dbraw/zinc/91/56/19/368915619.db2.gz HLBDJQJQMWFCAR-HNNXBMFYSA-N 0 0 242.322 2.424 10 0 BEAERN CCN(CC)c1ncnc2c(OC)cccc21 ZINC000115103366 368975269 /nfs/dbraw/zinc/97/52/69/368975269.db2.gz QIFWHQIUYJWCFC-UHFFFAOYSA-N 0 0 231.299 2.485 10 0 BEAERN CCOP(=O)(/C=C/[C@H](C)O)OCC ZINC000090474380 368984363 /nfs/dbraw/zinc/98/43/63/368984363.db2.gz XCYXLCYTXXNGBM-CZEYKFRCSA-N 0 0 208.194 2.147 10 0 BEAERN CCc1cnc(-c2ccc(C)nc2C=O)o1 ZINC000114210996 368937346 /nfs/dbraw/zinc/93/73/46/368937346.db2.gz IPKGGQWJZSJZLY-UHFFFAOYSA-N 0 0 216.240 2.420 10 0 BEAERN Cc1cccc(C)c1[C@@](C)(O)c1ncc[nH]1 ZINC000114416094 368938963 /nfs/dbraw/zinc/93/89/63/368938963.db2.gz FZTAHGKGKHILAT-CYBMUJFWSA-N 0 0 216.284 2.282 10 0 BEAERN c1ccc(COC2COC3(CCC3)OC2)cc1 ZINC000114443239 368940898 /nfs/dbraw/zinc/94/08/98/368940898.db2.gz GLTOACJLEBCGCN-UHFFFAOYSA-N 0 0 234.295 2.499 10 0 BEAERN COC(=O)c1cnc2cc(Cl)[nH]cc1-2 ZINC000215084747 368941434 /nfs/dbraw/zinc/94/14/34/368941434.db2.gz OWGNXRUWWPLHFR-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN COC(=O)c1cn(C2CCCCC2)nc1C ZINC000114563871 368944854 /nfs/dbraw/zinc/94/48/54/368944854.db2.gz MKPFNBYIZIYEAK-UHFFFAOYSA-N 0 0 222.288 2.483 10 0 BEAERN COC(=O)c1ccc(N[C@H](C)C(C)(C)C)nn1 ZINC000122920855 368950373 /nfs/dbraw/zinc/95/03/73/368950373.db2.gz LYCOZPHJIKOBPB-MRVPVSSYSA-N 0 0 237.303 2.110 10 0 BEAERN O=C([O-])c1cn2cc(-c3ccco3)ccc2n1 ZINC000116962322 368954663 /nfs/dbraw/zinc/95/46/63/368954663.db2.gz UTTHZCRZRMHPMI-UHFFFAOYSA-N 0 0 228.207 2.293 10 0 BEAERN c1ccc(CN2CCOc3cnccc3C2)cc1 ZINC000118053345 368966291 /nfs/dbraw/zinc/96/62/91/368966291.db2.gz SOTTUPMVHPWSQW-UHFFFAOYSA-N 0 0 240.306 2.476 10 0 BEAERN C[C@@]1(C(=O)[O-])CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090978153 369002750 /nfs/dbraw/zinc/00/27/50/369002750.db2.gz KCGNKDITBJVVOQ-SWLSCSKDSA-N 0 0 245.322 2.123 10 0 BEAERN CC(C)C[N@@H+](CC(=O)[O-])C[C@H]1Cc2ccccc21 ZINC000090978139 369003273 /nfs/dbraw/zinc/00/32/73/369003273.db2.gz NQSWIEOEZJKARJ-CYBMUJFWSA-N 0 0 247.338 2.369 10 0 BEAERN COC(=O)/C=C/c1cccc2[nH]ccc21 ZINC000115857987 369008772 /nfs/dbraw/zinc/00/87/72/369008772.db2.gz IDZVEPSCVVUHKV-AATRIKPKSA-N 0 0 201.225 2.354 10 0 BEAERN COc1ncccc1-c1cc(Cl)ncn1 ZINC000616212980 369062850 /nfs/dbraw/zinc/06/28/50/369062850.db2.gz VRSITQNHIRNXEL-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN CCCOc1cccc2c1O[C@H](C)C2=O ZINC000105738336 369065113 /nfs/dbraw/zinc/06/51/13/369065113.db2.gz WXMNQZILZDEPNC-MRVPVSSYSA-N 0 0 206.241 2.439 10 0 BEAERN COc1ccc(Br)c(C2(O)CC2)c1 ZINC000054346324 369067224 /nfs/dbraw/zinc/06/72/24/369067224.db2.gz NXGGRBPVZLDZOU-UHFFFAOYSA-N 0 0 243.100 2.439 10 0 BEAERN C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)C1CCC1 ZINC000457568733 203074909 /nfs/dbraw/zinc/07/49/09/203074909.db2.gz DVALJKHBNXKXSR-DRZSPHRISA-N 0 0 239.359 2.090 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1c[nH]cn1 ZINC000616586694 369096411 /nfs/dbraw/zinc/09/64/11/369096411.db2.gz RLAJQGVCKHAACB-GFCCVEGCSA-N 0 0 214.272 2.013 10 0 BEAERN CC[C@@H]1CN(C(C)=O)c2ccccc2N1 ZINC000616584787 369096485 /nfs/dbraw/zinc/09/64/85/369096485.db2.gz RAOUHCFODRPTRY-SNVBAGLBSA-N 0 0 204.273 2.244 10 0 BEAERN O[C@H](Cc1ccco1)[C@@H]1CSCCS1 ZINC000130849555 369118877 /nfs/dbraw/zinc/11/88/77/369118877.db2.gz SBYZAGDJYAHWFS-ZJUUUORDSA-N 0 0 230.354 2.032 10 0 BEAERN CC(=O)N1CCCO[C@H](c2cccc(F)c2)C1 ZINC000616678049 369109991 /nfs/dbraw/zinc/10/99/91/369109991.db2.gz DRWBNPXTCDVLTJ-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN C[C@@H](O)c1cnc(N2CCC[C@H]2C)s1 ZINC000054910138 369110290 /nfs/dbraw/zinc/11/02/90/369110290.db2.gz MGPIKTJTPCVZEN-HTQZYQBOSA-N 0 0 212.318 2.185 10 0 BEAERN CC(C)(C)[C@H]1CN(C(N)=O)c2ccccc2N1 ZINC000616690818 369112538 /nfs/dbraw/zinc/11/25/38/369112538.db2.gz HUNUOFRTEGLCRO-LLVKDONJSA-N 0 0 233.315 2.412 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1cn[nH]c1 ZINC000616690664 369113472 /nfs/dbraw/zinc/11/34/72/369113472.db2.gz BMZCASOWNKHTMN-CYBMUJFWSA-N 0 0 228.299 2.403 10 0 BEAERN CC(C)(F)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000618412711 369140145 /nfs/dbraw/zinc/14/01/45/369140145.db2.gz JCCPIJYSPSEHHV-ILWJIGKKSA-N 0 0 213.296 2.287 10 0 BEAERN Cc1ccc(C)c(-c2nn(C)cc2N)c1 ZINC000106879714 369210138 /nfs/dbraw/zinc/21/01/38/369210138.db2.gz QGFIWOAYQWSJAT-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CC(C)(C)CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000301704879 166556194 /nfs/dbraw/zinc/55/61/94/166556194.db2.gz HROXVUBVPYJARW-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CC[C@@H](CSC)NC(=O)N[C@H](C)C(C)C ZINC000091597152 369466779 /nfs/dbraw/zinc/46/67/79/369466779.db2.gz HNPRDUKQUPXGSV-ZJUUUORDSA-N 0 0 232.393 2.472 10 0 BEAERN CC[C@@H](NC1(C2CCC2)CCC1)C(=O)OC ZINC000459780461 203366010 /nfs/dbraw/zinc/36/60/10/203366010.db2.gz VMDCZTQNYJNUBM-LLVKDONJSA-N 0 0 225.332 2.250 10 0 BEAERN O=C(NCCC(F)(F)F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250634121 369566893 /nfs/dbraw/zinc/56/68/93/369566893.db2.gz FBIXDWAYDILXFZ-RNLVFQAGSA-N 0 0 221.222 2.101 10 0 BEAERN Cc1ncccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250891123 369620358 /nfs/dbraw/zinc/62/03/58/369620358.db2.gz OHVQERTXTSCVET-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN O=C(NC[C@@H]1CCCCS1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250866994 369614204 /nfs/dbraw/zinc/61/42/04/369614204.db2.gz RPJXIQPJVXNGKJ-USZNOCQGSA-N 0 0 239.384 2.434 10 0 BEAERN O=C(Nc1cncnc1)OCc1ccccc1 ZINC000306391276 369895518 /nfs/dbraw/zinc/89/55/18/369895518.db2.gz DCNNWDJAHRQZTM-UHFFFAOYSA-N 0 0 229.239 2.225 10 0 BEAERN CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252864935 370136673 /nfs/dbraw/zinc/13/66/73/370136673.db2.gz PLZDOIHZIRALPA-YFKTTZPYSA-N 0 0 207.317 2.291 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCOc1ccc(F)cc1 ZINC000075517033 370141102 /nfs/dbraw/zinc/14/11/02/370141102.db2.gz TVPRPHLFKWWBPP-SKDRFNHKSA-N 0 0 237.274 2.119 10 0 BEAERN O=C(N[C@@H]1CCCSC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252978100 370144136 /nfs/dbraw/zinc/14/41/36/370144136.db2.gz AIHGNAHDSZDRBH-LMLFDSFASA-N 0 0 225.357 2.044 10 0 BEAERN Cc1ccc(CCNC(=O)N[C@@H](C)C(C)C)cn1 ZINC000111442335 370145895 /nfs/dbraw/zinc/14/58/95/370145895.db2.gz NSCIZVZEPVMKEC-LBPRGKRZSA-N 0 0 249.358 2.276 10 0 BEAERN COC(=O)C=C(C)Nc1cccc(C)c1 ZINC000308677174 370148695 /nfs/dbraw/zinc/14/86/95/370148695.db2.gz GVDZWGDIRPGIKX-NTMALXAHSA-N 0 0 205.257 2.484 10 0 BEAERN Cc1csc(C[C@H](O)c2nccs2)n1 ZINC000161557404 370377807 /nfs/dbraw/zinc/37/78/07/370377807.db2.gz ZWWZEQIUUFIVKK-ZETCQYMHSA-N 0 0 226.326 2.184 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)cc1C ZINC000077102509 370394892 /nfs/dbraw/zinc/39/48/92/370394892.db2.gz HRXMZQQYEKVSGI-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN NCc1ncc(-c2ccc(F)c(F)c2)o1 ZINC000036158655 181502771 /nfs/dbraw/zinc/50/27/71/181502771.db2.gz MNXRVHXWVQDIEU-UHFFFAOYSA-N 0 0 210.183 2.079 10 0 BEAERN CC(=O)c1csc(-c2nccs2)n1 ZINC000161599015 370546466 /nfs/dbraw/zinc/54/64/66/370546466.db2.gz WSJBJUABGSWWDM-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN CC[C@@H]1CS[C@@H](c2nccs2)N1 ZINC000161614178 370604239 /nfs/dbraw/zinc/60/42/39/370604239.db2.gz PQLBZDSSTTXUDA-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@@H]1CCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000349896331 370625919 /nfs/dbraw/zinc/62/59/19/370625919.db2.gz RPFVBEWMGNZHMH-BDAKNGLRSA-N 0 0 230.271 2.430 10 0 BEAERN CSc1ncnc2c(C=O)csc21 ZINC000118379502 371015004 /nfs/dbraw/zinc/01/50/04/371015004.db2.gz CRRQMIAMFPQSLB-UHFFFAOYSA-N 0 0 210.283 2.226 10 0 BEAERN CCc1cc(NC(=O)C[C@H](C)SC)n[nH]1 ZINC000124005842 371131372 /nfs/dbraw/zinc/13/13/72/371131372.db2.gz KXPDRZDSYWBIJI-ZETCQYMHSA-N 0 0 227.333 2.052 10 0 BEAERN CCCCN(C)C(=O)NCc1cccc(C)n1 ZINC000123736464 371101077 /nfs/dbraw/zinc/10/10/77/371101077.db2.gz KTMDVTAZNFLPIA-UHFFFAOYSA-N 0 0 235.331 2.332 10 0 BEAERN Cc1cccc(CNC(=O)N2CCC[C@H](C)C2)n1 ZINC000123732660 371101207 /nfs/dbraw/zinc/10/12/07/371101207.db2.gz DIDOPZCREGHGKN-NSHDSACASA-N 0 0 247.342 2.332 10 0 BEAERN N[C@H](c1noc(C(F)(F)F)n1)c1ccccc1 ZINC000036764868 181565563 /nfs/dbraw/zinc/56/55/63/181565563.db2.gz HVPHNJOPOUKRET-ZETCQYMHSA-N 0 0 243.188 2.137 10 0 BEAERN N[C@@H](c1nccs1)c1c(F)cccc1F ZINC000041059853 181568401 /nfs/dbraw/zinc/56/84/01/181568401.db2.gz LMZSECBIGAZGMG-SECBINFHSA-N 0 0 226.251 2.469 10 0 BEAERN Nc1cc(C2(c3ccccc3)CC2)on1 ZINC000085278489 181679843 /nfs/dbraw/zinc/67/98/43/181679843.db2.gz QZBGEZGDKDIEBF-UHFFFAOYSA-N 0 0 200.241 2.337 10 0 BEAERN Nc1cc(Cc2cccc(Cl)c2)[nH]n1 ZINC000041217005 181682247 /nfs/dbraw/zinc/68/22/47/181682247.db2.gz RNSZYKWXGCCRGO-UHFFFAOYSA-N 0 0 207.664 2.236 10 0 BEAERN Nc1cc(F)c(OCC2CCOCC2)cc1F ZINC000104125032 181685551 /nfs/dbraw/zinc/68/55/51/181685551.db2.gz LVXITECFPFAMHT-UHFFFAOYSA-N 0 0 243.253 2.352 10 0 BEAERN Nc1cc(F)ccc1SCc1ncccn1 ZINC000054460251 181687647 /nfs/dbraw/zinc/68/76/47/181687647.db2.gz IWJREYKZWYNXFX-UHFFFAOYSA-N 0 0 235.287 2.490 10 0 BEAERN Nc1cc(NC(=O)c2cccnc2)c(F)cc1F ZINC000036738909 181689775 /nfs/dbraw/zinc/68/97/75/181689775.db2.gz OEJPINNMJYVIOQ-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN Nc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000035696991 181697105 /nfs/dbraw/zinc/69/71/05/181697105.db2.gz GVUMAXADXSKNRP-JTQLQIEISA-N 0 0 231.255 2.170 10 0 BEAERN Nc1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000020596443 181697309 /nfs/dbraw/zinc/69/73/09/181697309.db2.gz BFNXAVJLLJDKEV-UHFFFAOYSA-N 0 0 228.230 2.142 10 0 BEAERN Nc1ccc(-c2noc(CC(F)(F)F)n2)cc1 ZINC000035696813 181698067 /nfs/dbraw/zinc/69/80/67/181698067.db2.gz IZCLOCPCILXEIA-UHFFFAOYSA-N 0 0 243.188 2.424 10 0 BEAERN Nc1ccc(Cl)c(N2CCCC2=O)c1 ZINC000043493313 181709582 /nfs/dbraw/zinc/70/95/82/181709582.db2.gz LDWAPYVVQWLBAI-UHFFFAOYSA-N 0 0 210.664 2.049 10 0 BEAERN Nc1ccc(F)cc1Cn1cc(Cl)cn1 ZINC000038053329 181712156 /nfs/dbraw/zinc/71/21/56/181712156.db2.gz CRHRJKAXWILNTL-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN Nc1ccc(F)cc1C(=O)NC1CCCC1 ZINC000034959011 181712162 /nfs/dbraw/zinc/71/21/62/181712162.db2.gz QWVJJUPGYFUTOS-UHFFFAOYSA-N 0 0 222.263 2.080 10 0 BEAERN Nc1cccc(OCCc2cccnc2)c1 ZINC000041227567 181747551 /nfs/dbraw/zinc/74/75/51/181747551.db2.gz VICRXDHLFDVFDR-UHFFFAOYSA-N 0 0 214.268 2.285 10 0 BEAERN Nc1cccc(CCC(=O)NC2CCCC2)c1 ZINC000020186900 181742034 /nfs/dbraw/zinc/74/20/34/181742034.db2.gz GTXHYVVSVQJKQN-UHFFFAOYSA-N 0 0 232.327 2.260 10 0 BEAERN Nc1cccc(NC(=O)NCc2nccs2)c1 ZINC000049539214 181746237 /nfs/dbraw/zinc/74/62/37/181746237.db2.gz SIOSXLVUBHOOMY-UHFFFAOYSA-N 0 0 248.311 2.047 10 0 BEAERN Nc1ccc(OCCc2ccccc2)nc1 ZINC000019754115 181720904 /nfs/dbraw/zinc/72/09/04/181720904.db2.gz YISBGZVMOROGFF-UHFFFAOYSA-N 0 0 214.268 2.285 10 0 BEAERN Nc1ccc(S[C@H]2CCCC[C@H]2O)nc1 ZINC000037691877 181725458 /nfs/dbraw/zinc/72/54/58/181725458.db2.gz VRCNGMBDGMZQFZ-ZJUUUORDSA-N 0 0 224.329 2.059 10 0 BEAERN Nc1cncc(-c2ccc(Cl)nc2)c1 ZINC000091368479 181769270 /nfs/dbraw/zinc/76/92/70/181769270.db2.gz DTZMLGXPPKFLGW-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cccc2c1CN(c1cccnc1)C2 ZINC000011730941 181750033 /nfs/dbraw/zinc/75/00/33/181750033.db2.gz SARIWMUMNTVCEB-UHFFFAOYSA-N 0 0 211.268 2.184 10 0 BEAERN Nc1ccccc1CSc1nncs1 ZINC000019846476 181754489 /nfs/dbraw/zinc/75/44/89/181754489.db2.gz SCPICDMJOJOHCX-UHFFFAOYSA-N 0 0 223.326 2.413 10 0 BEAERN Nc1ccccc1NCCc1ccncc1 ZINC000048261131 181755968 /nfs/dbraw/zinc/75/59/68/181755968.db2.gz DEBJUUPQOIJMGS-UHFFFAOYSA-N 0 0 213.284 2.318 10 0 BEAERN Nc1ccccc1[C@@H](O)COc1ccccc1 ZINC000051327583 181758179 /nfs/dbraw/zinc/75/81/79/181758179.db2.gz TZYMEFZDJMZNCG-AWEZNQCLSA-N 0 0 229.279 2.381 10 0 BEAERN Nc1ccccc1Sc1cccnn1 ZINC000052831810 181758531 /nfs/dbraw/zinc/75/85/31/181758531.db2.gz QCEAZLONXFFZMP-UHFFFAOYSA-N 0 0 203.270 2.210 10 0 BEAERN C[C@H]1CN[C@@H](c2cscn2)SC1 ZINC000126792966 371551489 /nfs/dbraw/zinc/55/14/89/371551489.db2.gz QMEMKJHWKDQQJB-POYBYMJQSA-N 0 0 200.332 2.114 10 0 BEAERN Nc1ccnc(-c2ccc(F)c(F)c2)n1 ZINC000050847095 181762397 /nfs/dbraw/zinc/76/23/97/181762397.db2.gz PAXUQIRUKZYVCF-UHFFFAOYSA-N 0 0 207.183 2.004 10 0 BEAERN CSCCCCNC(=O)c1scnc1C ZINC000126132531 371498258 /nfs/dbraw/zinc/49/82/58/371498258.db2.gz LUSKVCUDKHLHGS-UHFFFAOYSA-N 0 0 244.385 2.325 10 0 BEAERN CC[C@H](NC(=O)[C@@H](C)SC)c1nccs1 ZINC000131123621 371560167 /nfs/dbraw/zinc/56/01/67/371560167.db2.gz ZWKRPMBEXQZECG-SFYZADRCSA-N 0 0 244.385 2.462 10 0 BEAERN CC[C@@H](NC(=O)[C@H](C)SC)c1nccs1 ZINC000131124204 371560535 /nfs/dbraw/zinc/56/05/35/371560535.db2.gz ZWKRPMBEXQZECG-JGVFFNPUSA-N 0 0 244.385 2.462 10 0 BEAERN Nc1n[nH]c2ccnc(Oc3ccccc3)c12 ZINC000035940298 181774917 /nfs/dbraw/zinc/77/49/17/181774917.db2.gz VDRZBHPALHZZQK-UHFFFAOYSA-N 0 0 226.239 2.332 10 0 BEAERN CC[C@H](NC(=O)c1ccccn1)c1nccs1 ZINC000131205475 371569905 /nfs/dbraw/zinc/56/99/05/371569905.db2.gz IWVAJLRVLOKVJH-VIFPVBQESA-N 0 0 247.323 2.419 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000225734057 371570006 /nfs/dbraw/zinc/57/00/06/371570006.db2.gz IJFGSRTVWXCKBM-VWYCJHECSA-N 0 0 213.321 2.216 10 0 BEAERN Nc1nc(-c2cccnc2)nc2c1CCCCC2 ZINC000109521805 181776789 /nfs/dbraw/zinc/77/67/89/181776789.db2.gz ACHUZNCDAVDATN-UHFFFAOYSA-N 0 0 240.310 2.390 10 0 BEAERN Nc1nc(-c2ccccn2)cc(C(F)(F)F)n1 ZINC000062208512 181777142 /nfs/dbraw/zinc/77/71/42/181777142.db2.gz QUNRUCLJGXTUEO-UHFFFAOYSA-N 0 0 240.188 2.140 10 0 BEAERN Brc1ccc(CC[C@@H]2CO2)nc1 ZINC000161971220 371595364 /nfs/dbraw/zinc/59/53/64/371595364.db2.gz NDXQYWFCBMEEEZ-SECBINFHSA-N 0 0 228.089 2.176 10 0 BEAERN CON[C@@H]1COc2c1cc(C)cc2Cl ZINC000131465030 371608563 /nfs/dbraw/zinc/60/85/63/371608563.db2.gz RDWDNWXBTHKTOF-SECBINFHSA-N 0 0 213.664 2.233 10 0 BEAERN CC(=O)c1ccc(N(C)[C@H]2CCSC2)o1 ZINC000131538070 371619905 /nfs/dbraw/zinc/61/99/05/371619905.db2.gz XIJAUNFHYOPSPH-VIFPVBQESA-N 0 0 225.313 2.424 10 0 BEAERN NC(=S)Nc1cc(F)cc(Cl)c1 ZINC000230000289 371632481 /nfs/dbraw/zinc/63/24/81/371632481.db2.gz ZBKZMMYUBARNEM-UHFFFAOYSA-N 0 0 204.657 2.135 10 0 BEAERN CC(C)(C)OC(=O)N1CCCC[C@H](CCO)C1 ZINC000215853176 371647476 /nfs/dbraw/zinc/64/74/76/371647476.db2.gz BJOGZHDWWCKXJB-LLVKDONJSA-N 0 0 243.347 2.406 10 0 BEAERN Cc1sc(N2CCCCCC2)nc1N ZINC000131922917 371716116 /nfs/dbraw/zinc/71/61/16/371716116.db2.gz FELQBOKUTSDWNY-UHFFFAOYSA-N 0 0 211.334 2.414 10 0 BEAERN C/C=C/C(=O)Nc1cccnc1Br ZINC000226676711 371721410 /nfs/dbraw/zinc/72/14/10/371721410.db2.gz GUEZVZFCQMUUQV-DUXPYHPUSA-N 0 0 241.088 2.359 10 0 BEAERN C[C@@H]1CC[C@H](C)CN1c1ncc(N)s1 ZINC000226746079 371734873 /nfs/dbraw/zinc/73/48/73/371734873.db2.gz PKVIVJZODBZPFH-JGVFFNPUSA-N 0 0 211.334 2.350 10 0 BEAERN Brc1ccc(-c2cc[nH]n2)o1 ZINC000131837801 371693651 /nfs/dbraw/zinc/69/36/51/371693651.db2.gz JEPHDIQCTUUHNL-UHFFFAOYSA-N 0 0 213.034 2.432 10 0 BEAERN Nc1csc(Cc2cccc(F)c2)n1 ZINC000131844407 371694852 /nfs/dbraw/zinc/69/48/52/371694852.db2.gz ZYCNJQKYDYYYIS-UHFFFAOYSA-N 0 0 208.261 2.455 10 0 BEAERN Cc1c(C)c(S[C@@H](C)CO)nnc1Cl ZINC000162489231 371696457 /nfs/dbraw/zinc/69/64/57/371696457.db2.gz FKQCBRCXOXRLKA-YFKPBYRVSA-N 0 0 232.736 2.220 10 0 BEAERN CNc1cc(-c2ccc(Br)o2)[nH]n1 ZINC000131850864 371697098 /nfs/dbraw/zinc/69/70/98/371697098.db2.gz MOYDIYXETUJBMK-UHFFFAOYSA-N 0 0 242.076 2.474 10 0 BEAERN Nc1csc([C@@H]2CSCCS2)n1 ZINC000131849448 371697235 /nfs/dbraw/zinc/69/72/35/371697235.db2.gz GGWQNDRALHVQML-YFKPBYRVSA-N 0 0 218.372 2.246 10 0 BEAERN C[C@H](CO)Sc1ccc(Cl)cn1 ZINC000162504484 371701593 /nfs/dbraw/zinc/70/15/93/371701593.db2.gz LMANUSONMNOYSR-ZCFIWIBFSA-N 0 0 203.694 2.208 10 0 BEAERN Cc1ccccc1C(=O)CS[C@H](C)CO ZINC000162665621 371743022 /nfs/dbraw/zinc/74/30/22/371743022.db2.gz OPOPCLMUPJNPCB-SNVBAGLBSA-N 0 0 224.325 2.292 10 0 BEAERN Fc1ccc2c(c1Br)CC[NH2+]C2 ZINC000216460697 371755738 /nfs/dbraw/zinc/75/57/38/371755738.db2.gz WQFMOLAJRHPDHH-UHFFFAOYSA-N 0 0 230.080 2.234 10 0 BEAERN CC[C@@H]1C[C@@H]1NC(=O)c1ccccc1F ZINC000227008958 371766105 /nfs/dbraw/zinc/76/61/05/371766105.db2.gz UWMDUHUTUFYMIH-KCJUWKMLSA-N 0 0 207.248 2.354 10 0 BEAERN CC[C@H]1C[C@@H]1NC(=O)c1ccccc1F ZINC000227008965 371766268 /nfs/dbraw/zinc/76/62/68/371766268.db2.gz UWMDUHUTUFYMIH-KWQFWETISA-N 0 0 207.248 2.354 10 0 BEAERN Cc1cnn(CCOc2cccc(C=O)c2)c1 ZINC000304323533 371779693 /nfs/dbraw/zinc/77/96/93/371779693.db2.gz COIKLQFVIJZVSA-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN CCCCNC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000132481238 371834106 /nfs/dbraw/zinc/83/41/06/371834106.db2.gz SRIBPXCIOFFZKF-RYUDHWBXSA-N 0 0 240.347 2.140 10 0 BEAERN Cc1ccnc2c1NC(=O)[C@H](C)CS2 ZINC000162693469 371822806 /nfs/dbraw/zinc/82/28/06/371822806.db2.gz HFRRQNXEIJHFFC-SSDOTTSWSA-N 0 0 208.286 2.070 10 0 BEAERN O=C(c1cccc2c1OCC2)C(F)(F)F ZINC000132453205 371826717 /nfs/dbraw/zinc/82/67/17/371826717.db2.gz HURACINQMQJGPH-UHFFFAOYSA-N 0 0 216.158 2.367 10 0 BEAERN C[C@H]1CCC[C@H]1NC(=O)C(C)(C)Br ZINC000162781076 371846988 /nfs/dbraw/zinc/84/69/88/371846988.db2.gz KZMKBVAPWVKBCX-JGVFFNPUSA-N 0 0 248.164 2.465 10 0 BEAERN C[C@H]1CCO[C@@H]1c1nc(Br)ns1 ZINC000230109876 371851336 /nfs/dbraw/zinc/85/13/36/371851336.db2.gz XVSNZXILRHDCTL-WHFBIAKZSA-N 0 0 249.133 2.398 10 0 BEAERN Brc1nsc(CC2CC2)n1 ZINC000230108431 371851366 /nfs/dbraw/zinc/85/13/66/371851366.db2.gz BHIFJBOPPYOASH-UHFFFAOYSA-N 0 0 219.107 2.253 10 0 BEAERN Brc1nsc([C@H]2CCCOC2)n1 ZINC000230110141 371852334 /nfs/dbraw/zinc/85/23/34/371852334.db2.gz QHMPMXRQABHDEA-YFKPBYRVSA-N 0 0 249.133 2.195 10 0 BEAERN C[C@@H]1CCO[C@H]1c1nc(Cl)ns1 ZINC000230114043 371853687 /nfs/dbraw/zinc/85/36/87/371853687.db2.gz YSVUGNIZSVIOOT-RFZPGFLSSA-N 0 0 204.682 2.289 10 0 BEAERN Clc1nsc(Cc2ccncc2)n1 ZINC000230114205 371853973 /nfs/dbraw/zinc/85/39/73/371853973.db2.gz VIHHYNJSNMHQNH-UHFFFAOYSA-N 0 0 211.677 2.177 10 0 BEAERN Cc1sccc1[C@@H](N)C(C)(C)[NH+](C)C ZINC000227795112 371939620 /nfs/dbraw/zinc/93/96/20/371939620.db2.gz NVKJAXJTORGZGL-SNVBAGLBSA-N 0 0 212.362 2.397 10 0 BEAERN CC1(c2coc(Br)n2)CC1 ZINC000230399701 371902208 /nfs/dbraw/zinc/90/22/08/371902208.db2.gz VCGOOZMUIFLGQH-UHFFFAOYSA-N 0 0 202.051 2.489 10 0 BEAERN Fc1cc(NC[C@H]2CCCOC2)ccn1 ZINC000227642907 371912929 /nfs/dbraw/zinc/91/29/29/371912929.db2.gz LWNAYSPXZVJYPD-SECBINFHSA-N 0 0 210.252 2.059 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1ccnc(F)c1 ZINC000227643150 371912984 /nfs/dbraw/zinc/91/29/84/371912984.db2.gz NSKFRMHKGLJICF-VHSXEESVSA-N 0 0 210.252 2.200 10 0 BEAERN C/C=C/C(=O)Nc1cc(Br)ccn1 ZINC000227653361 371914911 /nfs/dbraw/zinc/91/49/11/371914911.db2.gz QNJNOUFNSCQNBS-NSCUHMNNSA-N 0 0 241.088 2.359 10 0 BEAERN CN1CCc2c(N)c(Br)sc2C1 ZINC000132954903 371958459 /nfs/dbraw/zinc/95/84/59/371958459.db2.gz UGTWYOQEBGPSLP-UHFFFAOYSA-N 0 0 247.161 2.081 10 0 BEAERN O=C(/C=C/c1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000051990515 181841464 /nfs/dbraw/zinc/84/14/64/181841464.db2.gz DFAHANWYPSKHEP-ZICGXABRSA-N 0 0 245.322 2.120 10 0 BEAERN C[C@]1(Nc2cncc(Cl)n2)CCCOC1 ZINC000227985421 371968155 /nfs/dbraw/zinc/96/81/55/371968155.db2.gz WRIUGTUDVGKPSA-JTQLQIEISA-N 0 0 227.695 2.111 10 0 BEAERN Cc1cnccc1-c1ncc(C=O)s1 ZINC000133021774 371969416 /nfs/dbraw/zinc/96/94/16/371969416.db2.gz FTSXGTROHDSAMU-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CC(C)C(=O)[C@@H]1SCCS[C@H]1C ZINC000228077556 371985928 /nfs/dbraw/zinc/98/59/28/371985928.db2.gz FAKZUCHRMPFEAE-IONNQARKSA-N 0 0 204.360 2.449 10 0 BEAERN CCN1C(=S)N=NC1[C@@H]1CCCS1 ZINC000228198009 372003161 /nfs/dbraw/zinc/00/31/61/372003161.db2.gz JHOBJLSHFNFQQH-LURJTMIESA-N 0 0 215.347 2.155 10 0 BEAERN Cn1cc(NCC=C(Cl)Cl)cn1 ZINC000403408968 371995060 /nfs/dbraw/zinc/99/50/60/371995060.db2.gz PYMXXZUHUFFQQS-UHFFFAOYSA-N 0 0 206.076 2.151 10 0 BEAERN CSCCC(=O)N(C)Cc1ccc(C)o1 ZINC000058048892 371954744 /nfs/dbraw/zinc/95/47/44/371954744.db2.gz HLILMGLHBPOYOR-UHFFFAOYSA-N 0 0 227.329 2.300 10 0 BEAERN C[C@H]1SCC[C@@H]1Nc1ncc(N)s1 ZINC000306378474 372015890 /nfs/dbraw/zinc/01/58/90/372015890.db2.gz GYTOMMBPRABRDX-RITPCOANSA-N 0 0 215.347 2.031 10 0 BEAERN CO[C@H]1CCC[C@@H]1Oc1ccc(F)nc1 ZINC000306426160 372019179 /nfs/dbraw/zinc/01/91/79/372019179.db2.gz KDGAMBNFVGQBJB-UWVGGRQHSA-N 0 0 211.236 2.167 10 0 BEAERN CCc1c[nH]c(=S)n1[C@H]1CCSC1 ZINC000231375136 372022522 /nfs/dbraw/zinc/02/25/22/372022522.db2.gz KXIGOHXFUIHTNH-QMMMGPOBSA-N 0 0 214.359 2.412 10 0 BEAERN COC[C@H](C)Nc1cc(Cl)ccc1N ZINC000228405394 372023705 /nfs/dbraw/zinc/02/37/05/372023705.db2.gz BNHKOQWPGRYUFU-ZETCQYMHSA-N 0 0 214.696 2.369 10 0 BEAERN CCC1N=NC(=S)N1[C@H]1C[C@]1(C)CC ZINC000306592536 372041837 /nfs/dbraw/zinc/04/18/37/372041837.db2.gz ZPFFWKNLPNLEOB-XVKPBYJWSA-N 0 0 211.334 2.490 10 0 BEAERN CCc1cnc([C@H]2NC[C@@H](C)S2)s1 ZINC000306598175 372043517 /nfs/dbraw/zinc/04/35/17/372043517.db2.gz PGMJULBSJDXRBU-SVRRBLITSA-N 0 0 214.359 2.429 10 0 BEAERN Nc1c(Br)cccc1N1CCCO1 ZINC000306699682 372056776 /nfs/dbraw/zinc/05/67/76/372056776.db2.gz FBZDTOCMKWNBEZ-UHFFFAOYSA-N 0 0 243.104 2.173 10 0 BEAERN CCc1nc([C@H]2CSCCN2)cs1 ZINC000133503409 372065962 /nfs/dbraw/zinc/06/59/62/372065962.db2.gz GGVBMFALHQBILT-SSDOTTSWSA-N 0 0 214.359 2.083 10 0 BEAERN O[C@H](c1ccsc1)c1ccncc1F ZINC000133539713 372071031 /nfs/dbraw/zinc/07/10/31/372071031.db2.gz OMCYQHZKRYVJOC-SNVBAGLBSA-N 0 0 209.245 2.364 10 0 BEAERN Cc1nn([C@@H]2CCOC2)c(Cl)c1C ZINC000306906307 372077167 /nfs/dbraw/zinc/07/71/67/372077167.db2.gz YWSWTVSPIWKMOG-MRVPVSSYSA-N 0 0 200.669 2.115 10 0 BEAERN Fc1c[nH]c(=S)nc1-c1ccns1 ZINC000306906334 372077785 /nfs/dbraw/zinc/07/77/85/372077785.db2.gz MCGRIFKHAZSGTN-UHFFFAOYSA-N 0 0 213.262 2.402 10 0 BEAERN CN(C1N=NC(=S)S1)C(C)(C)C ZINC000306935371 372078778 /nfs/dbraw/zinc/07/87/78/372078778.db2.gz DMJRLYYGDQGKSP-UHFFFAOYSA-N 0 0 203.336 2.062 10 0 BEAERN CC(=O)c1cnn(Cc2ccsc2)c1 ZINC000306952163 372080281 /nfs/dbraw/zinc/08/02/81/372080281.db2.gz DVJKHQJHJBUQAS-UHFFFAOYSA-N 0 0 206.270 2.196 10 0 BEAERN O=c1[nH]cnc2c(Cl)ccc(Cl)c12 ZINC000133655971 372086234 /nfs/dbraw/zinc/08/62/34/372086234.db2.gz RBWIKDMFWCGLQP-UHFFFAOYSA-N 0 0 215.039 2.230 10 0 BEAERN CC[C@@]1(C)C(=O)N[C@@H]1c1csc(C)n1 ZINC000307443464 372121137 /nfs/dbraw/zinc/12/11/37/372121137.db2.gz AUMXQSICVOYTRD-PSASIEDQSA-N 0 0 210.302 2.039 10 0 BEAERN FC1(F)CCC[C@H]1Nc1ncns1 ZINC000307691578 372139008 /nfs/dbraw/zinc/13/90/08/372139008.db2.gz PFTTWUDGSHKFDY-RXMQYKEDSA-N 0 0 205.233 2.138 10 0 BEAERN CC(C)Sc1nc(NN)c(F)cc1F ZINC000232680125 372152003 /nfs/dbraw/zinc/15/20/03/372152003.db2.gz DULXAWWJZOSQEB-UHFFFAOYSA-N 0 0 219.260 2.146 10 0 BEAERN Cc1nn(C)c(S[C@@H](C)C(C)C)c1N ZINC000232735303 372156179 /nfs/dbraw/zinc/15/61/79/372156179.db2.gz JRIGTIVOMURVBW-QMMMGPOBSA-N 0 0 213.350 2.447 10 0 BEAERN C[C@]1(Nc2cccc(Cl)n2)CCOC1 ZINC000229486520 372156843 /nfs/dbraw/zinc/15/68/43/372156843.db2.gz RVGPNHYJBPBTRH-JTQLQIEISA-N 0 0 212.680 2.326 10 0 BEAERN C[C@H]1Cc2cc(N)ccc2N1C(=O)C(F)(F)F ZINC000229557877 372163949 /nfs/dbraw/zinc/16/39/49/372163949.db2.gz NLGRSROIIMRLFU-LURJTMIESA-N 0 0 244.216 2.109 10 0 BEAERN C[C@@H]1Cc2cc(N)ccc2N1C(=O)C(F)(F)F ZINC000229557864 372164502 /nfs/dbraw/zinc/16/45/02/372164502.db2.gz NLGRSROIIMRLFU-ZCFIWIBFSA-N 0 0 244.216 2.109 10 0 BEAERN CC1(C)C[C@@H]1C(=O)Nc1ccnc(Cl)n1 ZINC000232852995 372169547 /nfs/dbraw/zinc/16/95/47/372169547.db2.gz RGTHTJZPGFFUMH-ZCFIWIBFSA-N 0 0 225.679 2.115 10 0 BEAERN COCC(=O)c1cccc(F)c1Cl ZINC000229179289 372125622 /nfs/dbraw/zinc/12/56/22/372125622.db2.gz XCFQHLLEIPUBKC-UHFFFAOYSA-N 0 0 202.612 2.308 10 0 BEAERN C[C@H](Nc1nccnc1Cl)c1cn[nH]c1 ZINC000229733220 372187831 /nfs/dbraw/zinc/18/78/31/372187831.db2.gz NDLZKNGNMWAROH-LURJTMIESA-N 0 0 223.667 2.026 10 0 BEAERN C[C@](O)(CC1CCC1)c1cnc(N)s1 ZINC000229740244 372188328 /nfs/dbraw/zinc/18/83/28/372188328.db2.gz XIPUYTPFIOMKQP-JTQLQIEISA-N 0 0 212.318 2.123 10 0 BEAERN C[C@@H](NOCc1ccccc1)c1cc[nH]n1 ZINC000134264219 372189443 /nfs/dbraw/zinc/18/94/43/372189443.db2.gz UETHZQBSRVFOEC-SNVBAGLBSA-N 0 0 217.272 2.192 10 0 BEAERN C[C@H](NOCc1ccccc1)c1cc[nH]n1 ZINC000134264193 372189501 /nfs/dbraw/zinc/18/95/01/372189501.db2.gz UETHZQBSRVFOEC-JTQLQIEISA-N 0 0 217.272 2.192 10 0 BEAERN CCCCS[C@H](C)C(=O)N[C@H]1C[C@@H]1C ZINC000171046443 372273968 /nfs/dbraw/zinc/27/39/68/372273968.db2.gz PGJMDCSCLKJGTL-AEJSXWLSSA-N 0 0 215.362 2.433 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1c1nc2ccccc2o1 ZINC000631434625 372362308 /nfs/dbraw/zinc/36/23/08/372362308.db2.gz MMJMGXUOQKJLAJ-NXEZZACHSA-N 0 0 232.283 2.177 10 0 BEAERN O[C@@H](Cc1ccccc1)C(F)(F)Cl ZINC000038252001 372523942 /nfs/dbraw/zinc/52/39/42/372523942.db2.gz IWLDMHPITNEUHU-QMMMGPOBSA-N 0 0 206.619 2.422 10 0 BEAERN COC(=O)C(=O)c1cc(C)c(C)cc1Cl ZINC000140347955 372581825 /nfs/dbraw/zinc/58/18/25/372581825.db2.gz QNKWWNFNMNJHBB-UHFFFAOYSA-N 0 0 226.659 2.313 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCS[C@@H](C)C1 ZINC000171730494 372743564 /nfs/dbraw/zinc/74/35/64/372743564.db2.gz MBEMINCYZXGAKP-UWVGGRQHSA-N 0 0 230.377 2.178 10 0 BEAERN CN(Cc1ncc[nH]1)C(=O)OCc1ccccc1 ZINC000038863417 372796583 /nfs/dbraw/zinc/79/65/83/372796583.db2.gz NRCBGIYCYGQISH-UHFFFAOYSA-N 0 0 245.282 2.178 10 0 BEAERN O=C(CO)Cc1ccc(Cl)cc1Cl ZINC000071521098 181984227 /nfs/dbraw/zinc/98/42/27/181984227.db2.gz OYRNHXFIDNZUGQ-UHFFFAOYSA-N 0 0 219.067 2.097 10 0 BEAERN O=C(CO)c1cc(Cl)sc1Cl ZINC000040449587 181990549 /nfs/dbraw/zinc/99/05/49/181990549.db2.gz IKWAUNIKFDBTAE-UHFFFAOYSA-N 0 0 211.069 2.230 10 0 BEAERN CC(C)n1c2ccc(Cl)cc2c(=O)oc1=O ZINC000008731220 372867500 /nfs/dbraw/zinc/86/75/00/372867500.db2.gz ZIZOJCIMJOAKFU-UHFFFAOYSA-N 0 0 239.658 2.189 10 0 BEAERN O=C(CSc1ccccn1)Nc1ccncc1 ZINC000006899059 182010220 /nfs/dbraw/zinc/01/02/20/182010220.db2.gz WKDCCXPQUQDRHL-UHFFFAOYSA-N 0 0 245.307 2.207 10 0 BEAERN CCOC(OCC)c1nc2ncccc2n1C ZINC000141357854 372932666 /nfs/dbraw/zinc/93/26/66/372932666.db2.gz ZZIZJHQTXKCMML-UHFFFAOYSA-N 0 0 235.287 2.040 10 0 BEAERN O=C(C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000055199398 182030036 /nfs/dbraw/zinc/03/00/36/182030036.db2.gz OHZHTSREQUTVLS-LLVKDONJSA-N 0 0 248.278 2.210 10 0 BEAERN C[C@@H](NC(=O)N(C)C1CCCC1)[C@@H]1CCCO1 ZINC000172310076 372937955 /nfs/dbraw/zinc/93/79/55/372937955.db2.gz XSRUZNVBMULECX-PWSUYJOCSA-N 0 0 240.347 2.138 10 0 BEAERN O=C(Cc1ccccc1Cl)N1CCCO1 ZINC000125354832 182045017 /nfs/dbraw/zinc/04/50/17/182045017.db2.gz RBVKTABGHVFXGT-UHFFFAOYSA-N 0 0 225.675 2.046 10 0 BEAERN C[C@H](Cc1ncc[nH]1)O[C@@H]1C[C@H](C)CCC1=O ZINC000428190179 373011825 /nfs/dbraw/zinc/01/18/25/373011825.db2.gz XMRDPOXURYNPMM-CKYFFXLPSA-N 0 0 236.315 2.115 10 0 BEAERN CCCCNC(=O)C(C)(C)Br ZINC000041719139 168837801 /nfs/dbraw/zinc/83/78/01/168837801.db2.gz ORASZTOKFKUAMQ-UHFFFAOYSA-N 0 0 222.126 2.076 10 0 BEAERN O=C1CCSc2cc3c(cc21)OCCO3 ZINC000068572775 373022843 /nfs/dbraw/zinc/02/28/43/373022843.db2.gz SAXJUDDLOUDDKL-UHFFFAOYSA-N 0 0 222.265 2.136 10 0 BEAERN COCC(=O)c1cncc2ccccc21 ZINC000068949169 373097805 /nfs/dbraw/zinc/09/78/05/373097805.db2.gz CCGDTNGQQFJOLJ-UHFFFAOYSA-N 0 0 201.225 2.064 10 0 BEAERN O=C(Cn1cccc1)Nc1ccc(F)cc1 ZINC000006805555 182067213 /nfs/dbraw/zinc/06/72/13/182067213.db2.gz KSVAVAPABFBQKK-UHFFFAOYSA-N 0 0 218.231 2.266 10 0 BEAERN CC(C)(CO)Nc1cccc(Br)n1 ZINC000069017618 373105703 /nfs/dbraw/zinc/10/57/03/373105703.db2.gz RYACGSSKRIAABU-UHFFFAOYSA-N 0 0 245.120 2.027 10 0 BEAERN O=C(Cn1nnc2ccccc21)c1cccs1 ZINC000005777739 182074734 /nfs/dbraw/zinc/07/47/34/182074734.db2.gz GYCRBBZVEXBVMD-UHFFFAOYSA-N 0 0 243.291 2.376 10 0 BEAERN O=C(N1CC[C@H]2CCCC[C@H]21)C(F)(F)F ZINC000039054639 182083295 /nfs/dbraw/zinc/08/32/95/182083295.db2.gz OBPDFBRFKVKZAJ-HTQZYQBOSA-N 0 0 221.222 2.340 10 0 BEAERN O=C(NC1CC(F)C1)OCc1ccccc1 ZINC000211596788 182094285 /nfs/dbraw/zinc/09/42/85/182094285.db2.gz RXVIBHVNIGRHHQ-UHFFFAOYSA-N 0 0 223.247 2.413 10 0 BEAERN O=C(NC1CC1)N1CCC[C@H]1c1ccco1 ZINC000116405956 182095614 /nfs/dbraw/zinc/09/56/14/182095614.db2.gz GVRQVTSNCKCEFU-JTQLQIEISA-N 0 0 220.272 2.289 10 0 BEAERN C[C@H](N[C@@H]1C[C@@H](C)OC1=O)c1cccc(F)c1 ZINC000040493312 373330346 /nfs/dbraw/zinc/33/03/46/373330346.db2.gz FTDUALZIQLEKSG-VDDIYKPWSA-N 0 0 237.274 2.180 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCC(C)(C)C1 ZINC000173328987 373319996 /nfs/dbraw/zinc/31/99/96/373319996.db2.gz NAYPRCLWNNELAI-JTQLQIEISA-N 0 0 212.337 2.472 10 0 BEAERN O=C(NCC(F)(F)F)N1CCC[C@@H]1C1CC1 ZINC000377544326 182123488 /nfs/dbraw/zinc/12/34/88/182123488.db2.gz NMQFORKTAGOESQ-MRVPVSSYSA-N 0 0 236.237 2.133 10 0 BEAERN COc1ccc(Oc2ccc(CO)cn2)cc1 ZINC000040538753 373460519 /nfs/dbraw/zinc/46/05/19/373460519.db2.gz NTDAXZFCHLYFOO-UHFFFAOYSA-N 0 0 231.251 2.375 10 0 BEAERN CSc1ccc([N+](=O)[O-])c(N)c1F ZINC000142425330 373497333 /nfs/dbraw/zinc/49/73/33/373497333.db2.gz JTMKLXVPDXWBMO-UHFFFAOYSA-N 0 0 202.210 2.038 10 0 BEAERN O=C(NCC1CC1)N1C[C@H]2CCCCC[C@H]21 ZINC000371906089 182138713 /nfs/dbraw/zinc/13/87/13/182138713.db2.gz OCYXYUBQQOZBSF-VXGBXAGGSA-N 0 0 222.332 2.371 10 0 BEAERN Nc1cc(Br)cnc1OCC1CC1 ZINC000040713951 373618314 /nfs/dbraw/zinc/61/83/14/373618314.db2.gz MJLCCSJEAIVOJA-UHFFFAOYSA-N 0 0 243.104 2.215 10 0 BEAERN Nc1nc(Sc2ccccc2F)ns1 ZINC000069763846 373728300 /nfs/dbraw/zinc/72/83/00/373728300.db2.gz QBHUVTBGDYLCON-UHFFFAOYSA-N 0 0 227.289 2.411 10 0 BEAERN Cc1c(Cl)ncnc1N1CCSC[C@H]1C ZINC000069762795 373728309 /nfs/dbraw/zinc/72/83/09/373728309.db2.gz KBKKECWWRFSLAE-SSDOTTSWSA-N 0 0 243.763 2.380 10 0 BEAERN C[C@H]1CSCCN1c1ccnc(Cl)n1 ZINC000069762776 373728393 /nfs/dbraw/zinc/72/83/93/373728393.db2.gz MNDFDSAGKUHICL-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN Nc1nc(Sc2cccs2)ns1 ZINC000069763865 373728479 /nfs/dbraw/zinc/72/84/79/373728479.db2.gz IBGVRUUGUBIPMO-UHFFFAOYSA-N 0 0 215.328 2.333 10 0 BEAERN Nc1nc(SC2CCCC2)ns1 ZINC000069763923 373730426 /nfs/dbraw/zinc/73/04/26/373730426.db2.gz JXCYLRMEZQGJKW-UHFFFAOYSA-N 0 0 201.320 2.155 10 0 BEAERN COC(=O)[C@@H](C)Cc1ccccc1OC ZINC000009280750 373769620 /nfs/dbraw/zinc/76/96/20/373769620.db2.gz VVDUVBHTZSLDAX-VIFPVBQESA-N 0 0 208.257 2.047 10 0 BEAERN C[C@H](NC(=O)n1ccnc1)C1CCCC1 ZINC000069805792 373821970 /nfs/dbraw/zinc/82/19/70/373821970.db2.gz RNULRVVYWNTDGL-VIFPVBQESA-N 0 0 207.277 2.020 10 0 BEAERN Cc1ccc(C(=O)N2CC[C@@H](O)C[C@H]2C)cc1C ZINC000633868125 373827006 /nfs/dbraw/zinc/82/70/06/373827006.db2.gz WZFZSBSNGIBGFD-TZMCWYRMSA-N 0 0 247.338 2.289 10 0 BEAERN CCC(C)(C)CC(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633870091 373828317 /nfs/dbraw/zinc/82/83/17/373828317.db2.gz IZOJNAZILSMLTD-GHMZBOCLSA-N 0 0 227.348 2.185 10 0 BEAERN CC(C)(C)Oc1ncc(CO)cc1Cl ZINC000040883665 373865123 /nfs/dbraw/zinc/86/51/23/373865123.db2.gz QVMQDNKCDYVYDR-UHFFFAOYSA-N 0 0 215.680 2.405 10 0 BEAERN Nc1ncccc1C(=O)Cc1cccs1 ZINC000069844664 373876996 /nfs/dbraw/zinc/87/69/96/373876996.db2.gz GCIYVSNRGNNYDD-UHFFFAOYSA-N 0 0 218.281 2.151 10 0 BEAERN CCCCNC(=O)Nc1cc(N)c(F)cc1F ZINC000036744311 168853381 /nfs/dbraw/zinc/85/33/81/168853381.db2.gz GRSWYWLDBIPSIX-UHFFFAOYSA-N 0 0 243.257 2.469 10 0 BEAERN CCCCNC(=O)Nc1cc(N)ccc1OC ZINC000020256208 168853507 /nfs/dbraw/zinc/85/35/07/168853507.db2.gz JHFHMSYPKSBIRR-UHFFFAOYSA-N 0 0 237.303 2.199 10 0 BEAERN CC[S@@](=O)Cc1ccc(Cl)c(N)c1 ZINC000040965682 373972492 /nfs/dbraw/zinc/97/24/92/373972492.db2.gz YVKJSCNJEGXWHE-ZDUSSCGKSA-N 0 0 217.721 2.191 10 0 BEAERN CC[C@@]1(C)C[C@](N)(C(F)(F)F)CCO1 ZINC000069899887 373973466 /nfs/dbraw/zinc/97/34/66/373973466.db2.gz FZYNDSZUOFWWPN-YUMQZZPRSA-N 0 0 211.227 2.225 10 0 BEAERN O=C1CC[S@](=O)c2ccc(Cl)cc21 ZINC000040972949 373973550 /nfs/dbraw/zinc/97/35/50/373973550.db2.gz MLDIEQCNNJAOGO-CYBMUJFWSA-N 0 0 214.673 2.034 10 0 BEAERN CCC[C@H]1C[C@@]2(CCO1)CC(=O)CCO2 ZINC000069900325 373974314 /nfs/dbraw/zinc/97/43/14/373974314.db2.gz QUJDJFLXQLNTKG-NWDGAFQWSA-N 0 0 212.289 2.084 10 0 BEAERN Clc1nnc([C@@H]2CCSC2)s1 ZINC000070006006 374109728 /nfs/dbraw/zinc/10/97/28/374109728.db2.gz JDCOCXCFYISALI-SCSAIBSYSA-N 0 0 206.723 2.412 10 0 BEAERN Cc1cc(C(=O)c2ccoc2)ccc1N ZINC000070041889 374115051 /nfs/dbraw/zinc/11/50/51/374115051.db2.gz DGJYDWWWOUTWNR-UHFFFAOYSA-N 0 0 201.225 2.401 10 0 BEAERN COC(=O)Cc1c(C)cc(O)cc1Cl ZINC000142840918 374102628 /nfs/dbraw/zinc/10/26/28/374102628.db2.gz YJXHVZBXEIVBHD-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN CCCc1nccn1-c1cccc(F)n1 ZINC000069964299 374102928 /nfs/dbraw/zinc/10/29/28/374102928.db2.gz GTEIEDGTJBTHLZ-UHFFFAOYSA-N 0 0 205.236 2.359 10 0 BEAERN Oc1ccccc1Sc1nncs1 ZINC000069967766 374104365 /nfs/dbraw/zinc/10/43/65/374104365.db2.gz ACRIASQPGXWKHV-UHFFFAOYSA-N 0 0 210.283 2.395 10 0 BEAERN CCc1noc([C@@H](C)N2CCS[C@@H](C)C2)n1 ZINC000246159697 374180180 /nfs/dbraw/zinc/18/01/80/374180180.db2.gz QTFFMAGYHJETLZ-DTWKUNHWSA-N 0 0 241.360 2.130 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000246092169 374148841 /nfs/dbraw/zinc/14/88/41/374148841.db2.gz HUODSLZBIXYOIN-KMLBCRHOSA-N 0 0 248.301 2.389 10 0 BEAERN Cc1c(N)cccc1C(=O)c1ccc[nH]1 ZINC000070671511 374170827 /nfs/dbraw/zinc/17/08/27/374170827.db2.gz MWSNLLBVAFXHTH-UHFFFAOYSA-N 0 0 200.241 2.136 10 0 BEAERN COC[C@H](C)n1ccc2c1CCCC2=O ZINC000041705710 374178975 /nfs/dbraw/zinc/17/89/75/374178975.db2.gz JEBQYNUZSHKHDP-VIFPVBQESA-N 0 0 207.273 2.215 10 0 BEAERN Nc1nsc(-c2cc3c(s2)CCC3)n1 ZINC000070839422 374196916 /nfs/dbraw/zinc/19/69/16/374196916.db2.gz IXXRWUGTCZVFQS-UHFFFAOYSA-N 0 0 223.326 2.338 10 0 BEAERN CCCCS[C@H](C)C(=O)N[C@H]1C[C@H]1C ZINC000246216926 374201385 /nfs/dbraw/zinc/20/13/85/374201385.db2.gz PGJMDCSCLKJGTL-BBBLOLIVSA-N 0 0 215.362 2.433 10 0 BEAERN FC(F)(F)CNC1=NC[C@H](C2CC2)S1 ZINC000070887334 374224257 /nfs/dbraw/zinc/22/42/57/374224257.db2.gz LHZXKSURJITPIQ-ZCFIWIBFSA-N 0 0 224.251 2.020 10 0 BEAERN C[C@H]1CC[C@](C(=O)[O-])([NH+]2CCCCC2)C1 ZINC000070766161 374189962 /nfs/dbraw/zinc/18/99/62/374189962.db2.gz SCZIHGYDBVDTFH-JQWIXIFHSA-N 0 0 211.305 2.116 10 0 BEAERN Nc1ccc([S@@](=O)C2CCCC2)cc1 ZINC000042197098 374254005 /nfs/dbraw/zinc/25/40/05/374254005.db2.gz FEUOUIOXWFAKTI-CQSZACIVSA-N 0 0 209.314 2.319 10 0 BEAERN O=C(NN1CC=CCC1)C1CCCCCC1 ZINC000029565210 182275833 /nfs/dbraw/zinc/27/58/33/182275833.db2.gz CKSJTZMDPFVWJC-UHFFFAOYSA-N 0 0 222.332 2.250 10 0 BEAERN CCC(CC)[S@](=O)Cc1nnc(C)n1CC ZINC000194553800 206093381 /nfs/dbraw/zinc/09/33/81/206093381.db2.gz HXGXZNSCMQTWJV-MRXNPFEDSA-N 0 0 243.376 2.044 10 0 BEAERN O=C(Nc1ccc(F)cc1)c1ccno1 ZINC000010254056 182356983 /nfs/dbraw/zinc/35/69/83/182356983.db2.gz CELKZUKUXPBQJL-UHFFFAOYSA-N 0 0 206.176 2.066 10 0 BEAERN O=C(Nc1cccc(F)c1)n1ccnc1 ZINC000028756399 182370836 /nfs/dbraw/zinc/37/08/36/182370836.db2.gz HAYQIMMDIYNHOA-UHFFFAOYSA-N 0 0 205.192 2.102 10 0 BEAERN O=C(Nc1cccc2c1CCCN2)NC1CC1 ZINC000054457098 182373666 /nfs/dbraw/zinc/37/36/66/182373666.db2.gz YKMAHGQEMXBPSK-UHFFFAOYSA-N 0 0 231.299 2.329 10 0 BEAERN O=C(Nc1ccccn1)c1nc2ccccc2[nH]1 ZINC000000009612 182382724 /nfs/dbraw/zinc/38/27/24/182382724.db2.gz VXYHDYBFIAFFQZ-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C([O-])[C@H]1CCCCC[C@@H]1[NH+]1CCCC1 ZINC000062749993 182532646 /nfs/dbraw/zinc/53/26/46/182532646.db2.gz NRPZXXWESCLWHS-QWRGUYRKSA-N 0 0 211.305 2.116 10 0 BEAERN O=C(Oc1cccc(O)c1)c1cccnc1 ZINC000075624841 182609609 /nfs/dbraw/zinc/60/96/09/182609609.db2.gz LMEDCKYVHYDLTC-UHFFFAOYSA-N 0 0 215.208 2.006 10 0 BEAERN O=C([C@@H]1CSc2ccccc21)N1CCCO1 ZINC000125396416 182625171 /nfs/dbraw/zinc/62/51/71/182625171.db2.gz BSQUYLJLMOPSDO-SNVBAGLBSA-N 0 0 235.308 2.040 10 0 BEAERN O=C(c1cccc(OC(F)F)c1)N1CCCO1 ZINC000125439726 182674111 /nfs/dbraw/zinc/67/41/11/182674111.db2.gz WWIPYXQLDWIWES-UHFFFAOYSA-N 0 0 243.209 2.066 10 0 BEAERN O=C(c1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000038057560 182666925 /nfs/dbraw/zinc/66/69/25/182666925.db2.gz VCXWWUKFJFKFOK-CYBMUJFWSA-N 0 0 232.279 2.373 10 0 BEAERN O=C(c1ccc2ccccc2n1)N1CCCO1 ZINC000125397802 182667898 /nfs/dbraw/zinc/66/78/98/182667898.db2.gz QFSCVOMSDYREBQ-UHFFFAOYSA-N 0 0 228.251 2.012 10 0 BEAERN O=C(c1ccccc1)c1ncccc1F ZINC000019615635 182678150 /nfs/dbraw/zinc/67/81/50/182678150.db2.gz BWMSHCJLNRVFIJ-UHFFFAOYSA-N 0 0 201.200 2.452 10 0 BEAERN O=C(c1cncc(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000336223638 182699759 /nfs/dbraw/zinc/69/97/59/182699759.db2.gz OGACFCRBPAKVBE-GZMMTYOYSA-N 0 0 236.702 2.360 10 0 BEAERN O=C1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000032010230 182749748 /nfs/dbraw/zinc/74/97/48/182749748.db2.gz FLMDEFWVRAYGRE-MRVPVSSYSA-N 0 0 204.225 2.252 10 0 BEAERN O=C1CC[C@]2(c3ccc(F)cc3)OCCCN12 ZINC000003636650 182754532 /nfs/dbraw/zinc/75/45/32/182754532.db2.gz OYARXWWFTYDBCS-CYBMUJFWSA-N 0 0 235.258 2.021 10 0 BEAERN O=C1CCNN1c1cc(Cl)ccc1Cl ZINC000077360473 182744063 /nfs/dbraw/zinc/74/40/63/182744063.db2.gz SFQMYVNJAJMSMM-UHFFFAOYSA-N 0 0 231.082 2.235 10 0 BEAERN O=C1CCOc2cc(Br)ccc2C1 ZINC000096877366 182744708 /nfs/dbraw/zinc/74/47/08/182744708.db2.gz UZMHNEYQGFHYHI-UHFFFAOYSA-N 0 0 241.084 2.343 10 0 BEAERN O=C1Cc2cccnc2N1[C@@H]1C=CCCC1 ZINC000211505509 182788165 /nfs/dbraw/zinc/78/81/65/182788165.db2.gz UVQCWKFYFIHFKH-LLVKDONJSA-N 0 0 214.268 2.079 10 0 BEAERN O=Cc1cc2c(ccnc2Br)o1 ZINC000082360214 182863258 /nfs/dbraw/zinc/86/32/58/182863258.db2.gz XDDKRCCXKHFZIJ-UHFFFAOYSA-N 0 0 226.029 2.403 10 0 BEAERN O=Cc1cc2c(Br)[nH]ccc-2n1 ZINC000082361014 182863442 /nfs/dbraw/zinc/86/34/42/182863442.db2.gz VTQWSWGUQLOSSK-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN CCOC(OCC)(OCC)c1ccncc1 ZINC000253181711 170315533 /nfs/dbraw/zinc/31/55/33/170315533.db2.gz GZNONQZFAJTJRZ-UHFFFAOYSA-N 0 0 225.288 2.301 10 0 BEAERN O=Cc1ccn2c1cnc1ccsc12 ZINC000039630278 182873136 /nfs/dbraw/zinc/87/31/36/182873136.db2.gz KCKLJNBZEHCIJF-UHFFFAOYSA-N 0 0 202.238 2.362 10 0 BEAERN O=S(=O)(c1ccccc1NC1CC1)C(F)F ZINC000035355380 182905207 /nfs/dbraw/zinc/90/52/07/182905207.db2.gz BHNLQBJTNLUOLP-UHFFFAOYSA-N 0 0 247.266 2.257 10 0 BEAERN O=c1ccoc2c(F)c(F)c(F)cc12 ZINC000075881968 183006722 /nfs/dbraw/zinc/00/67/22/183006722.db2.gz JOACACYOYFLQLW-UHFFFAOYSA-N 0 0 200.115 2.210 10 0 BEAERN O=c1ncc(-c2cccc(Cl)c2)c[nH]1 ZINC000034103154 183011758 /nfs/dbraw/zinc/01/17/58/183011758.db2.gz JBPDQKYWNBJROT-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1ncc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000059993373 183012219 /nfs/dbraw/zinc/01/22/19/183012219.db2.gz AWWAXXSCNOASRB-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN OC1(c2cccnc2Br)CCC1 ZINC000098180523 183023571 /nfs/dbraw/zinc/02/35/71/183023571.db2.gz OPQQFZXMMRDXPR-UHFFFAOYSA-N 0 0 228.089 2.216 10 0 BEAERN OCCC/C=C\CC(=S)N1CCCC1 ZINC000039124950 183042932 /nfs/dbraw/zinc/04/29/32/183042932.db2.gz RKJHGYIHCOMIOS-IWQZZHSRSA-N 0 0 213.346 2.128 10 0 BEAERN OCC(CO)c1ccc(Cl)cc1Cl ZINC000034439952 183033021 /nfs/dbraw/zinc/03/30/21/183033021.db2.gz HESCHJYLIIOXEN-UHFFFAOYSA-N 0 0 221.083 2.062 10 0 BEAERN OCCCNc1ccc(Cl)cc1F ZINC000048694077 183060317 /nfs/dbraw/zinc/06/03/17/183060317.db2.gz SCSOGQJODSTYSO-UHFFFAOYSA-N 0 0 203.644 2.273 10 0 BEAERN CCCC[C@H](C)NC(=O)c1cc(NC)ccn1 ZINC000050891449 168989749 /nfs/dbraw/zinc/98/97/49/168989749.db2.gz AZXFGFJVUBEGOB-JTQLQIEISA-N 0 0 235.331 2.432 10 0 BEAERN OCC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000143562943 183091112 /nfs/dbraw/zinc/09/11/12/183091112.db2.gz MOOQBDRRMRDOHO-SECBINFHSA-N 0 0 221.083 2.409 10 0 BEAERN OC[C@@H](Nc1ncccc1F)c1ccccc1 ZINC000063001664 183111977 /nfs/dbraw/zinc/11/19/77/183111977.db2.gz JZCXEALNIWTUMF-GFCCVEGCSA-N 0 0 232.258 2.366 10 0 BEAERN OC[C@@H]1CCCC[C@@H]1Nc1ncncc1Cl ZINC000221246381 183117240 /nfs/dbraw/zinc/11/72/40/183117240.db2.gz XPDQJZRVKKKVEX-WPRPVWTQSA-N 0 0 241.722 2.093 10 0 BEAERN OCCc1csc(COc2ccccc2)n1 ZINC000049827349 183102066 /nfs/dbraw/zinc/10/20/66/183102066.db2.gz LOZVDQOZEXOHAH-UHFFFAOYSA-N 0 0 235.308 2.257 10 0 BEAERN OC[C@@H](Nc1ccccc1)c1cccnc1 ZINC000038112865 183111210 /nfs/dbraw/zinc/11/12/10/183111210.db2.gz JAPVMFXXJQNYNO-CYBMUJFWSA-N 0 0 214.268 2.227 10 0 BEAERN OC[C@@H]1CCN(c2nsc3ccccc32)C1 ZINC000095078660 183124953 /nfs/dbraw/zinc/12/49/53/183124953.db2.gz MRJCGJRAHJBRRY-SECBINFHSA-N 0 0 234.324 2.115 10 0 BEAERN CCCCn1c(C)nc2c(O)cccc2c1=O ZINC000039124452 169033812 /nfs/dbraw/zinc/03/38/12/169033812.db2.gz UEKQOGFYVSLEIE-UHFFFAOYSA-N 0 0 232.283 2.211 10 0 BEAERN CCCCn1nc(N)c(Br)c1C ZINC000020313713 169037957 /nfs/dbraw/zinc/03/79/57/169037957.db2.gz IKEIPKNNSZWEAJ-UHFFFAOYSA-N 0 0 232.125 2.336 10 0 BEAERN OC[C@H]1CNc2ccc(Br)cc2C1 ZINC000011633128 183155955 /nfs/dbraw/zinc/15/59/55/183155955.db2.gz ATBGYOJHVJSUME-SSDOTTSWSA-N 0 0 242.116 2.026 10 0 BEAERN OCc1ccc(-c2ccc3nccnc3c2)o1 ZINC000037898439 183161316 /nfs/dbraw/zinc/16/13/16/183161316.db2.gz NGTWKEPZARPOCW-UHFFFAOYSA-N 0 0 226.235 2.382 10 0 BEAERN OCc1ccc(-c2nc3ccccc3[nH]2)nc1 ZINC000027857982 183163169 /nfs/dbraw/zinc/16/31/69/183163169.db2.gz UTGNYABDLMGVAE-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN O[C@@H](COC(F)(F)F)c1ccccc1 ZINC000068576527 183181823 /nfs/dbraw/zinc/18/18/23/183181823.db2.gz KBEAWYBOFPLQSZ-QMMMGPOBSA-N 0 0 206.163 2.256 10 0 BEAERN O[C@@H](COC(F)(F)F)c1ccccc1F ZINC000068576519 183182419 /nfs/dbraw/zinc/18/24/19/183182419.db2.gz IGLNTQCRASXSIJ-QMMMGPOBSA-N 0 0 224.153 2.396 10 0 BEAERN O[C@@H](COC(F)(F)F)c1ccc(F)cc1 ZINC000068576499 183182646 /nfs/dbraw/zinc/18/26/46/183182646.db2.gz NOBKRZNWSFNPLP-QMMMGPOBSA-N 0 0 224.153 2.396 10 0 BEAERN O[C@@H](Cc1cccc(F)c1F)C[C@H]1CCCO1 ZINC000053783760 183183069 /nfs/dbraw/zinc/18/30/69/183183069.db2.gz CIIYGXMFVICACO-WDEREUQCSA-N 0 0 242.265 2.437 10 0 BEAERN O[C@@H](Cc1ncc[nH]1)[C@H]1CCCc2ccccc21 ZINC000054669492 183184608 /nfs/dbraw/zinc/18/46/08/183184608.db2.gz SURRWMAEBICFRD-KBPBESRZSA-N 0 0 242.322 2.433 10 0 BEAERN OCc1cccc(NCc2ccc[nH]2)c1 ZINC000051788681 183168192 /nfs/dbraw/zinc/16/81/92/183168192.db2.gz ZDAMEXBDGVQPDE-UHFFFAOYSA-N 0 0 202.257 2.119 10 0 BEAERN OCc1nc2ccccc2n1CC(F)(F)F ZINC000070162357 183170366 /nfs/dbraw/zinc/17/03/66/183170366.db2.gz LOJHZLBIBHIRGG-UHFFFAOYSA-N 0 0 230.189 2.091 10 0 BEAERN OCc1csc(Cc2ccccc2F)n1 ZINC000057904346 183170797 /nfs/dbraw/zinc/17/07/97/183170797.db2.gz CJHRDIQGDYZYMG-UHFFFAOYSA-N 0 0 223.272 2.365 10 0 BEAERN OCc1nccnc1-c1nc2ccccc2s1 ZINC000026461099 183171268 /nfs/dbraw/zinc/17/12/68/183171268.db2.gz XHEPKEDTYIWKDR-UHFFFAOYSA-N 0 0 243.291 2.246 10 0 BEAERN ON(Cc1ccccc1)c1ccccn1 ZINC000073169090 183171521 /nfs/dbraw/zinc/17/15/21/183171521.db2.gz BDDSJFARXDPFRG-UHFFFAOYSA-N 0 0 200.241 2.477 10 0 BEAERN O[C@@H](C1=[NH+]CCN1)c1c(Cl)cccc1Cl ZINC000003649869 183172371 /nfs/dbraw/zinc/17/23/71/183172371.db2.gz ODBTYWLKQRMUBB-SECBINFHSA-N 0 0 245.109 2.029 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1cc(F)cc(F)c1 ZINC000037689948 183197126 /nfs/dbraw/zinc/19/71/26/183197126.db2.gz GHHMEAYJZGADKE-GHMZBOCLSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCc2[nH]nc(-c3ccccc3)c21 ZINC000072415215 183206016 /nfs/dbraw/zinc/20/60/16/183206016.db2.gz YNKYKJNMKSGOKR-SNVBAGLBSA-N 0 0 200.241 2.056 10 0 BEAERN O[C@@H](c1cnc2ccccc2c1)c1cnccn1 ZINC000037761706 183186366 /nfs/dbraw/zinc/18/63/66/183186366.db2.gz FXBNKDPIEMDXBR-AWEZNQCLSA-N 0 0 237.262 2.107 10 0 BEAERN O[C@@H]1CCCCC[C@H]1Nc1ncccc1F ZINC000130801512 183188215 /nfs/dbraw/zinc/18/82/15/183188215.db2.gz NOFIKDRRBQTYNS-GHMZBOCLSA-N 0 0 224.279 2.326 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cccc(F)c1F ZINC000040230643 183195374 /nfs/dbraw/zinc/19/53/74/183195374.db2.gz PXGUFSJDHAOITJ-WCBMZHEXSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H](CCc1cccnc1)c1cccnc1 ZINC000062167201 183219766 /nfs/dbraw/zinc/21/97/66/183219766.db2.gz OQOZLQMLJYBPFA-CYBMUJFWSA-N 0 0 214.268 2.143 10 0 BEAERN O[C@H](CCc1ccncc1)c1cccnc1 ZINC000062167203 183220218 /nfs/dbraw/zinc/22/02/18/183220218.db2.gz PKVBLNSBZNDYJW-CYBMUJFWSA-N 0 0 214.268 2.143 10 0 BEAERN CCCN(CC(=O)OCC)c1ccccc1N ZINC000063113883 169101494 /nfs/dbraw/zinc/10/14/94/169101494.db2.gz DTCOEOWFIYTYKJ-UHFFFAOYSA-N 0 0 236.315 2.048 10 0 BEAERN O[C@H](Cc1ncc[nH]1)[C@H]1CCCc2ccccc21 ZINC000054669488 183228686 /nfs/dbraw/zinc/22/86/86/183228686.db2.gz SURRWMAEBICFRD-UONOGXRCSA-N 0 0 242.322 2.433 10 0 BEAERN O[C@H](c1ccc2c(c1)OCCCO2)C1CC1 ZINC000036160176 183229631 /nfs/dbraw/zinc/22/96/31/183229631.db2.gz ITYFRWRLJZUYPJ-ZDUSSCGKSA-N 0 0 220.268 2.291 10 0 BEAERN CCC[N@H+](C)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751081 169088612 /nfs/dbraw/zinc/08/86/12/169088612.db2.gz UBDBAKIMCVFECS-QWRGUYRKSA-N 0 0 213.321 2.362 10 0 BEAERN O[C@H]1C=C(C(F)(F)F)NC=C1c1ccccc1 ZINC000101027445 183230186 /nfs/dbraw/zinc/23/01/86/183230186.db2.gz HPRWDAPSXIPDCI-JTQLQIEISA-N 0 0 241.212 2.438 10 0 BEAERN O[C@@](c1ccc(F)cc1)(c1cncnc1)C1CC1 ZINC000028769106 183215000 /nfs/dbraw/zinc/21/50/00/183215000.db2.gz SITVKQLSCKELFI-AWEZNQCLSA-N 0 0 244.269 2.262 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000277055033 183237848 /nfs/dbraw/zinc/23/78/48/183237848.db2.gz HGTRWYQMYZFPDG-BDAKNGLRSA-N 0 0 246.232 2.426 10 0 BEAERN O[C@H]1CCOC[C@@H]1Cc1ccccc1Cl ZINC000095078350 183241504 /nfs/dbraw/zinc/24/15/04/183241504.db2.gz VCXJTBZLSCTMRP-JQWIXIFHSA-N 0 0 226.703 2.280 10 0 BEAERN CCCN(CC)C(=O)c1cc(F)c(N)c(F)c1 ZINC000063005161 169117768 /nfs/dbraw/zinc/11/77/68/169117768.db2.gz VWZYLZHBQLVQEZ-UHFFFAOYSA-N 0 0 242.269 2.419 10 0 BEAERN O[C@H]1COC[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000037877621 183246564 /nfs/dbraw/zinc/24/65/64/183246564.db2.gz FYGCLTJCLXZLBH-UWVGGRQHSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1COC[C@@H]1Nc1cc(Cl)ccc1Cl ZINC000037874035 183246597 /nfs/dbraw/zinc/24/65/97/183246597.db2.gz IDESMBLWNFZUJP-UWVGGRQHSA-N 0 0 248.109 2.165 10 0 BEAERN CCCN(CC)C(=O)c1ccc(N)c(F)c1 ZINC000054405393 169119292 /nfs/dbraw/zinc/11/92/92/169119292.db2.gz JGQXBFVZJLVTAB-UHFFFAOYSA-N 0 0 224.279 2.280 10 0 BEAERN O[C@H]1C[C@@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415187 183247615 /nfs/dbraw/zinc/24/76/15/183247615.db2.gz BFULYIOJZDQMSS-GWCFXTLKSA-N 0 0 214.268 2.173 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1cccc(F)n1 ZINC000077208472 183232627 /nfs/dbraw/zinc/23/26/27/183232627.db2.gz QTWLNSRKRVJKDI-UWVGGRQHSA-N 0 0 224.279 2.184 10 0 BEAERN O[C@H]1CCCC[C@@H]1Nc1ncnc2ccccc21 ZINC000052005776 183232656 /nfs/dbraw/zinc/23/26/56/183232656.db2.gz ZXXOBQFIXKIYIX-STQMWFEESA-N 0 0 243.310 2.345 10 0 BEAERN CCCN(CC(C)(C)O)CC(F)(F)F ZINC000042778477 169103544 /nfs/dbraw/zinc/10/35/44/169103544.db2.gz CMRNOMDELVLDOV-UHFFFAOYSA-N 0 0 213.243 2.032 10 0 BEAERN O[C@H]1CCCC[C@H]1Nc1ccc(Cl)cn1 ZINC000052006882 183233647 /nfs/dbraw/zinc/23/36/47/183233647.db2.gz YZBIQOOJVURIJJ-ZJUUUORDSA-N 0 0 226.707 2.450 10 0 BEAERN CCCN(CC(F)(F)F)[C@H](C)C(=O)OCC ZINC000043638902 169107346 /nfs/dbraw/zinc/10/73/46/169107346.db2.gz NUXOPCSPFQBELH-MRVPVSSYSA-N 0 0 241.253 2.212 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1cc(F)c(F)c(F)c1 ZINC000061096199 183237099 /nfs/dbraw/zinc/23/70/99/183237099.db2.gz CAPDLMKPRMTGKM-UWVGGRQHSA-N 0 0 231.217 2.429 10 0 BEAERN Oc1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000039215576 183265780 /nfs/dbraw/zinc/26/57/80/183265780.db2.gz LRYVKHLAKHIYMC-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN Oc1ccc(C2OCCO2)cc1Cl ZINC000044227859 183268524 /nfs/dbraw/zinc/26/85/24/183268524.db2.gz OCMKCFZIMYMNSU-UHFFFAOYSA-N 0 0 200.621 2.091 10 0 BEAERN Oc1ccc(CCNCC(F)(F)F)cc1 ZINC000064871430 183269674 /nfs/dbraw/zinc/26/96/74/183269674.db2.gz BGMWEXGULAEWTP-UHFFFAOYSA-N 0 0 219.206 2.087 10 0 BEAERN CCCN(CC)c1cc2c(cc1N)CCC(=O)N2 ZINC000035063280 169133991 /nfs/dbraw/zinc/13/39/91/169133991.db2.gz XYCUQOXIDMOBEA-UHFFFAOYSA-N 0 0 247.342 2.390 10 0 BEAERN CCCN(CC1CC1)C(=O)c1cc(N)cnc1C ZINC000038095237 169136634 /nfs/dbraw/zinc/13/66/34/169136634.db2.gz WTRVDCNZFAWOQG-UHFFFAOYSA-N 0 0 247.342 2.234 10 0 BEAERN Oc1ccc2c(c1)OC[C@H]2NCc1ccncc1 ZINC000020140178 183282195 /nfs/dbraw/zinc/28/21/95/183282195.db2.gz MTAXRWZBWSOOLP-CYBMUJFWSA-N 0 0 242.278 2.011 10 0 BEAERN CCCN(Cc1ccccc1N)C(=O)NCC ZINC000035365153 169177825 /nfs/dbraw/zinc/17/78/25/169177825.db2.gz IQXOGRAKNOLWGR-UHFFFAOYSA-N 0 0 235.331 2.210 10 0 BEAERN Oc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000050267759 183293156 /nfs/dbraw/zinc/29/31/56/183293156.db2.gz JDQBWPNLOXUVJZ-GFCCVEGCSA-N 0 0 205.257 2.497 10 0 BEAERN O=c1[nH]cc(Cc2ccccc2)c(=S)[nH]1 ZINC000017040546 183306589 /nfs/dbraw/zinc/30/65/89/183306589.db2.gz FORUAIZEEYQYBF-UHFFFAOYSA-N 0 0 218.281 2.436 10 0 BEAERN Oc1ccccc1-c1nc(C[C@H]2CCCO2)no1 ZINC000111686947 183300054 /nfs/dbraw/zinc/30/00/54/183300054.db2.gz PCZIMWGWVHFLJD-SECBINFHSA-N 0 0 246.266 2.164 10 0 BEAERN Oc1ccccc1CC[C@H](O)c1ccccn1 ZINC000062166368 183301562 /nfs/dbraw/zinc/30/15/62/183301562.db2.gz DPRHDOXIYLTEQG-AWEZNQCLSA-N 0 0 229.279 2.453 10 0 BEAERN O=c1cc[nH]c(NCc2ccccc2)c1 ZINC000083343364 183305466 /nfs/dbraw/zinc/30/54/66/183305466.db2.gz DQHZJWHLIYLGSY-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN O=C1CSC(c2cnc(C3CC3)nc2)=N1 ZINC000103627221 183305476 /nfs/dbraw/zinc/30/54/76/183305476.db2.gz MGACSNPCDOHCBU-UHFFFAOYSA-N 0 0 219.269 2.183 10 0 BEAERN CCCN(c1ncc(N)cc1C)C1CC1 ZINC000052812603 169184020 /nfs/dbraw/zinc/18/40/20/169184020.db2.gz ADBQCGMILQGIHX-UHFFFAOYSA-N 0 0 205.305 2.351 10 0 BEAERN [O-][n+]1cccc2ccc(Br)cc21 ZINC000040544593 183318621 /nfs/dbraw/zinc/31/86/21/183318621.db2.gz QEEKCONJORAQQX-UHFFFAOYSA-N 0 0 224.057 2.236 10 0 BEAERN [O-][n+]1cc(Cl)cc(Cl)c1Br ZINC000076981566 183318896 /nfs/dbraw/zinc/31/88/96/183318896.db2.gz GHIHTLJNQAKHEE-UHFFFAOYSA-N 0 0 242.887 2.389 10 0 BEAERN [O-][n+]1ccc(Cl)cc1-c1ccccn1 ZINC000238809227 183318920 /nfs/dbraw/zinc/31/89/20/183318920.db2.gz MXFYEWGDDQUGEG-UHFFFAOYSA-N 0 0 206.632 2.035 10 0 BEAERN CCC[N@@H+]1CCCN(c2cc(C)nc(C)n2)CC1 ZINC000301399095 169193304 /nfs/dbraw/zinc/19/33/04/169193304.db2.gz OUAVHQJRLUOEIC-UHFFFAOYSA-N 0 0 248.374 2.016 10 0 BEAERN O=c1[nH]nc(-c2ccncc2)cc1C(F)(F)F ZINC000043464356 183309529 /nfs/dbraw/zinc/30/95/29/183309529.db2.gz RNMHLKMXTSHXDM-UHFFFAOYSA-N 0 0 241.172 2.263 10 0 BEAERN O=c1[nH]ncc(OCCC(F)(F)F)c1Cl ZINC000091366205 183310678 /nfs/dbraw/zinc/31/06/78/183310678.db2.gz ZGINRHDCNSWJNN-UHFFFAOYSA-N 0 0 242.584 2.167 10 0 BEAERN S=C1NCCN1c1ccccc1Cl ZINC000071618144 183312845 /nfs/dbraw/zinc/31/28/45/183312845.db2.gz AQUAMFPMTPHQRO-UHFFFAOYSA-N 0 0 212.705 2.035 10 0 BEAERN c1csc(CNc2ccnc(C3CC3)n2)n1 ZINC000112074568 183359138 /nfs/dbraw/zinc/35/91/38/183359138.db2.gz PLLQUHXWNUETSC-UHFFFAOYSA-N 0 0 232.312 2.423 10 0 BEAERN CCC[N@H+]1[C@@H]2CC[C@H]1CC(CC(=O)[O-])C2 ZINC000062570440 169210918 /nfs/dbraw/zinc/21/09/18/169210918.db2.gz IBELTMQMMFVCAH-FGWVZKOKSA-N 0 0 211.305 2.114 10 0 BEAERN CCCNC(=N)C(Cl)(Cl)Cl ZINC000169323766 169211404 /nfs/dbraw/zinc/21/14/04/169211404.db2.gz NVJGRQIGFQKEAC-UHFFFAOYSA-N 0 0 203.500 2.333 10 0 BEAERN CCCNC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082697286 169214169 /nfs/dbraw/zinc/21/41/69/169214169.db2.gz GXUKZWRPURWVFX-UHFFFAOYSA-N 0 0 220.316 2.073 10 0 BEAERN c1cc2c(cc1NC[C@H]1CCOC1)OCCCO2 ZINC000019906151 183369310 /nfs/dbraw/zinc/36/93/10/183369310.db2.gz VUHMKGNJCIUQOJ-LLVKDONJSA-N 0 0 249.310 2.296 10 0 BEAERN c1cc2c(cc1OCC1OCCO1)CCCC2 ZINC000041262768 183370817 /nfs/dbraw/zinc/37/08/17/183370817.db2.gz RFWLQNPPJQXGQR-UHFFFAOYSA-N 0 0 234.295 2.317 10 0 BEAERN CCCNC(=O)Nc1ccc(C)c(N)c1 ZINC000020256305 169240061 /nfs/dbraw/zinc/24/00/61/169240061.db2.gz CADJAPQKHKRBDW-UHFFFAOYSA-N 0 0 207.277 2.109 10 0 BEAERN CCCNC(=O)[C@@H](C)Nc1cccc(F)c1 ZINC000020313306 169242342 /nfs/dbraw/zinc/24/23/42/169242342.db2.gz VNBPBWKANPWPNU-SECBINFHSA-N 0 0 224.279 2.152 10 0 BEAERN CCCNC(=O)[C@@H](C)n1c(C)cc(C=O)c1C ZINC000049216583 169243144 /nfs/dbraw/zinc/24/31/44/169243144.db2.gz YSKHXDVWZLZKNL-LLVKDONJSA-N 0 0 236.315 2.005 10 0 BEAERN c1c[nH]c(CNc2ccccc2-n2ccnc2)n1 ZINC000049714888 183386081 /nfs/dbraw/zinc/38/60/81/183386081.db2.gz NXCSKSNNMGKZRQ-UHFFFAOYSA-N 0 0 239.282 2.208 10 0 BEAERN CCCNC(=O)c1cccc2c1NCCC2 ZINC000050957519 169252597 /nfs/dbraw/zinc/25/25/97/169252597.db2.gz RHHOXSDZDKHNRP-UHFFFAOYSA-N 0 0 218.300 2.185 10 0 BEAERN CCC[NH2+][C@@](C)(C(N)=O)c1cc(C)ccc1C ZINC000037513816 169284432 /nfs/dbraw/zinc/28/44/32/169284432.db2.gz QWGQPDUMYHSLCJ-CQSZACIVSA-N 0 0 234.343 2.004 10 0 BEAERN c1nnn(-c2ccccc2)c1-c1cccnc1 ZINC000026157968 183387832 /nfs/dbraw/zinc/38/78/32/183387832.db2.gz GVPGNPIGGJMANH-UHFFFAOYSA-N 0 0 222.251 2.329 10 0 BEAERN CCC[NH2+][C@H](COCC1CCCCC1)C(=O)[O-] ZINC000052157132 169288983 /nfs/dbraw/zinc/28/89/83/169288983.db2.gz JHNZZDMEXUKSRN-GFCCVEGCSA-N 0 0 243.347 2.036 10 0 BEAERN CCCN[C@@H](C(=O)OC)c1cccc(F)c1F ZINC000104232342 169273437 /nfs/dbraw/zinc/27/34/37/169273437.db2.gz GLPMEGQDXDZHAB-LLVKDONJSA-N 0 0 243.253 2.179 10 0 BEAERN CCC[NH2+][C@@]1(c2nccs2)CCSC1 ZINC000041061341 169283718 /nfs/dbraw/zinc/28/37/18/169283718.db2.gz KMVPMNRISXDCJR-JTQLQIEISA-N 0 0 228.386 2.475 10 0 BEAERN CCCOC(=O)c1cc(F)c(F)c(F)c1N ZINC000037475412 169300583 /nfs/dbraw/zinc/30/05/83/169300583.db2.gz MSTLZNYHIDWGRK-UHFFFAOYSA-N 0 0 233.189 2.253 10 0 BEAERN CCCOCCc1nc(-c2cccc(O)c2)no1 ZINC000054435012 169309465 /nfs/dbraw/zinc/30/94/65/169309465.db2.gz XDCIZRQRIVTOJI-UHFFFAOYSA-N 0 0 248.282 2.411 10 0 BEAERN CCCNc1cc(C(=O)N(C)C(C)C)ccn1 ZINC000050727695 169293316 /nfs/dbraw/zinc/29/33/16/169293316.db2.gz DLMCBXYIQASWKP-UHFFFAOYSA-N 0 0 235.331 2.384 10 0 BEAERN CCCNc1c(F)cccc1C(=O)NC ZINC000054205922 169293610 /nfs/dbraw/zinc/29/36/10/169293610.db2.gz BUTCYVCMGRARQY-UHFFFAOYSA-N 0 0 210.252 2.007 10 0 BEAERN CCCNc1cc(-c2ccccn2)[nH]n1 ZINC000062668121 169293882 /nfs/dbraw/zinc/29/38/82/169293882.db2.gz ADDWSNFTEJUOFP-UHFFFAOYSA-N 0 0 202.261 2.294 10 0 BEAERN CCCNc1cccc(C(=O)NC)c1C ZINC000037107589 169295037 /nfs/dbraw/zinc/29/50/37/169295037.db2.gz WAPQQWISAMVEHB-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN CCCNc1ccc(Cn2ccc(=O)cc2)cn1 ZINC000061628530 169295241 /nfs/dbraw/zinc/29/52/41/169295241.db2.gz YYDNPASSNVUDOY-UHFFFAOYSA-N 0 0 243.310 2.114 10 0 BEAERN CCCNc1ccnc(C(=O)N2CC[C@H](C)C2)c1 ZINC000050773091 169295457 /nfs/dbraw/zinc/29/54/57/169295457.db2.gz ARXRXVZOYCYLPJ-NSHDSACASA-N 0 0 247.342 2.386 10 0 BEAERN CCCNc1ccnc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000052303546 169295806 /nfs/dbraw/zinc/29/58/06/169295806.db2.gz RMWUJXSLGLYDER-KOLCDFICSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1cnc(Br)cn1 ZINC000083348491 169295897 /nfs/dbraw/zinc/29/58/97/169295897.db2.gz OMWCYJKYAIBTTN-UHFFFAOYSA-N 0 0 216.082 2.061 10 0 BEAERN CCCNc1[nH+]c(C)cc(C)c1C(=O)[O-] ZINC000037978252 169296125 /nfs/dbraw/zinc/29/61/25/169296125.db2.gz RWLBOPFRTPFGBF-UHFFFAOYSA-N 0 0 208.261 2.219 10 0 BEAERN CCCNc1ncccc1C(=O)N(C)C1CC1 ZINC000050747408 169296263 /nfs/dbraw/zinc/29/62/63/169296263.db2.gz OCFRVMNVIPFPCA-UHFFFAOYSA-N 0 0 233.315 2.138 10 0 BEAERN CCCSc1ncnc(Cl)c1N ZINC000062365364 169341916 /nfs/dbraw/zinc/34/19/16/169341916.db2.gz YEKRKWGTRQMQPZ-UHFFFAOYSA-N 0 0 203.698 2.214 10 0 BEAERN CCCOc1ccc([C@H](N)c2ncccn2)cc1 ZINC000055263613 169322244 /nfs/dbraw/zinc/32/22/44/169322244.db2.gz LYMHNINPXUDOPJ-ZDUSSCGKSA-N 0 0 243.310 2.314 10 0 BEAERN CCCOc1ccc([C@H]([NH2+]CC)C(=O)[O-])cc1 ZINC000052920288 169322409 /nfs/dbraw/zinc/32/24/09/169322409.db2.gz RGCLNHDHGGAJLH-LBPRGKRZSA-N 0 0 237.299 2.211 10 0 BEAERN CCCS(=O)(=O)Cc1ccc(Cl)c(N)c1 ZINC000035320463 169329384 /nfs/dbraw/zinc/32/93/84/169329384.db2.gz HLOBDMLYLHSJHO-UHFFFAOYSA-N 0 0 247.747 2.247 10 0 BEAERN CCCS(=O)(=O)C[C@H]1CC1(Cl)Cl ZINC000000194023 169329587 /nfs/dbraw/zinc/32/95/87/169329587.db2.gz ILCNHEZRZPMGIP-ZCFIWIBFSA-N 0 0 231.144 2.005 10 0 BEAERN CCCS(=O)(=O)Nc1ccc(Cl)c(N)c1 ZINC000022144355 169334244 /nfs/dbraw/zinc/33/42/44/169334244.db2.gz RCTHOOXNRZWRKL-UHFFFAOYSA-N 0 0 248.735 2.074 10 0 BEAERN CCCS(=O)(=O)Nc1cc(Cl)ccc1N ZINC000021961616 169334347 /nfs/dbraw/zinc/33/43/47/169334347.db2.gz JOPVVZPGOPEPBD-UHFFFAOYSA-N 0 0 248.735 2.074 10 0 BEAERN c1ccc2c(c1)NCC[C@@H]2[C@@H]1COCCO1 ZINC000019509058 183450854 /nfs/dbraw/zinc/45/08/54/183450854.db2.gz YVKBZHZOLHETEE-AAEUAGOBSA-N 0 0 219.284 2.001 10 0 BEAERN CCC[C@@H](C)NC(=O)c1[nH]nc2ccc(N)cc21 ZINC000048277793 169369161 /nfs/dbraw/zinc/36/91/61/169369161.db2.gz OIPUWVSMGWHGJI-MRVPVSSYSA-N 0 0 246.314 2.064 10 0 BEAERN CCC[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1N ZINC000050309735 169369195 /nfs/dbraw/zinc/36/91/95/169369195.db2.gz OHFYKFFUCFCJCO-MRVPVSSYSA-N 0 0 238.335 2.034 10 0 BEAERN CCC[C@@H](C)Nc1cnn(CCOC)c1 ZINC000037090544 169372336 /nfs/dbraw/zinc/37/23/36/169372336.db2.gz ZNWHGHBCNRFVMH-SNVBAGLBSA-N 0 0 211.309 2.130 10 0 BEAERN CCC[C@@H](C)c1cnc2nc(N)nc(N)c2c1C ZINC000005114719 169374153 /nfs/dbraw/zinc/37/41/53/169374153.db2.gz UQMAYNJFHMJQRZ-SSDOTTSWSA-N 0 0 245.330 2.401 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000180340837 134326093 /nfs/dbraw/zinc/32/60/93/134326093.db2.gz SCLZJAGAHLOEJS-OUAUKWLOSA-N 0 0 222.332 2.417 10 0 BEAERN CCC[C@@H](Nc1ccccc1OC)C(=O)OC ZINC000037961629 169404958 /nfs/dbraw/zinc/40/49/58/169404958.db2.gz VDUWOVBMYJURNN-LLVKDONJSA-N 0 0 237.299 2.449 10 0 BEAERN c1ncc(CNc2cnc3c(n2)CCCC3)s1 ZINC000376933804 183547401 /nfs/dbraw/zinc/54/74/01/183547401.db2.gz UUURCLHJRZGCEA-UHFFFAOYSA-N 0 0 246.339 2.424 10 0 BEAERN CCC[C@H](C)C(=O)NC1(CO)CCC(C)CC1 ZINC000053101993 169471236 /nfs/dbraw/zinc/47/12/36/169471236.db2.gz IMBKKJRAQHUWQN-LXVYMNJGSA-N 0 0 241.375 2.480 10 0 BEAERN CCC[C@H](C)NC(=O)c1[nH]nc2ccc(N)cc21 ZINC000048277796 169492981 /nfs/dbraw/zinc/49/29/81/169492981.db2.gz OIPUWVSMGWHGJI-QMMMGPOBSA-N 0 0 246.314 2.064 10 0 BEAERN CC(C)(C)OC(=O)NCCc1[nH]cnc1Cl ZINC000032137266 166660638 /nfs/dbraw/zinc/66/06/38/166660638.db2.gz QXAUJXYNXDBCEH-UHFFFAOYSA-N 0 0 245.710 2.130 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000075374822 169533652 /nfs/dbraw/zinc/53/36/52/169533652.db2.gz SIIJZPQSFSCPIZ-WPRPVWTQSA-N 0 0 222.263 2.139 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1NCc2ccccc21 ZINC000039619932 166671704 /nfs/dbraw/zinc/67/17/04/166671704.db2.gz PWIAGLNSTFLOOB-LLVKDONJSA-N 0 0 219.284 2.173 10 0 BEAERN CCCc1c(CO)nnn1-c1ccc(C)c(F)c1 ZINC000045892781 169561244 /nfs/dbraw/zinc/56/12/44/169561244.db2.gz VFFSVQXYRICULI-UHFFFAOYSA-N 0 0 249.289 2.160 10 0 BEAERN CCCc1cc(NC(=O)c2ccccn2)n[nH]1 ZINC000109912414 169566588 /nfs/dbraw/zinc/56/65/88/169566588.db2.gz BCPFYOGJWSBYGA-UHFFFAOYSA-N 0 0 230.271 2.010 10 0 BEAERN CCCc1cc(NC(=O)c2cccc(C)n2)n[nH]1 ZINC000109911413 169566668 /nfs/dbraw/zinc/56/66/68/169566668.db2.gz FQKVHXPJCBCJGY-UHFFFAOYSA-N 0 0 244.298 2.318 10 0 BEAERN CCCc1cc(NCC)nc(COC)n1 ZINC000050850252 169566918 /nfs/dbraw/zinc/56/69/18/169566918.db2.gz MWMUCJGYYVJRJX-UHFFFAOYSA-N 0 0 209.293 2.007 10 0 BEAERN CCCc1nc(Cl)cc(N[C@H](CC)CO)n1 ZINC000082509770 169591522 /nfs/dbraw/zinc/59/15/22/169591522.db2.gz MOFVILQIOUSEAA-MRVPVSSYSA-N 0 0 243.738 2.265 10 0 BEAERN CCCn1c(=O)oc(=O)c2cc(Cl)ccc21 ZINC000008731216 169611506 /nfs/dbraw/zinc/61/15/06/169611506.db2.gz WXQUNUKMKZRPQM-UHFFFAOYSA-N 0 0 239.658 2.018 10 0 BEAERN O=C(C[C@@H]1C=CCC1)N[C@H]1CCCC[C@@H]1CO ZINC000225671531 134356673 /nfs/dbraw/zinc/35/66/73/134356673.db2.gz YVDHBHGMXHMYKJ-UPJWGTAASA-N 0 0 237.343 2.010 10 0 BEAERN CCCn1cc(N[C@@H]2CCSC2)ccc1=O ZINC000037774614 169620811 /nfs/dbraw/zinc/62/08/11/169620811.db2.gz FDXXKUVVBJMTND-LLVKDONJSA-N 0 0 238.356 2.176 10 0 BEAERN CCN(C(=O)[C@@H](C)COC)[C@@H](C)C(C)C ZINC000103387432 169647242 /nfs/dbraw/zinc/64/72/42/169647242.db2.gz IVTLXURUPNLLFO-QWRGUYRKSA-N 0 0 215.337 2.162 10 0 BEAERN CCN(C(=O)[C@H](C)COC)C1CCCCC1 ZINC000103363419 169652512 /nfs/dbraw/zinc/65/25/12/169652512.db2.gz JDVDMABLBXQSJN-LLVKDONJSA-N 0 0 227.348 2.450 10 0 BEAERN CCN(C(=O)c1cccc(F)c1N)C(C)C ZINC000054207228 169658562 /nfs/dbraw/zinc/65/85/62/169658562.db2.gz HFRVPUCVWJYYCO-UHFFFAOYSA-N 0 0 224.279 2.278 10 0 BEAERN c1ccc2cc([C@@]34CNC[C@@H](CO3)O4)ccc2c1 ZINC000000001768 383818007 /nfs/dbraw/zinc/81/80/07/383818007.db2.gz CQBDDBLIDNKCRV-GJZGRUSLSA-N 0 0 241.290 2.011 10 0 in-man BEAERN N#Cc1c(CO)cc(F)cc1OC(F)(F)F ZINC000575644969 383818933 /nfs/dbraw/zinc/81/89/33/383818933.db2.gz CJELVGKYXUJCQF-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN Cn1nc(-c2ccccn2)c2c1CCSC2 ZINC000409437475 383848695 /nfs/dbraw/zinc/84/86/95/383848695.db2.gz GXYSMNSXRNDDRD-UHFFFAOYSA-N 0 0 231.324 2.271 10 0 BEAERN O=C(c1cccnc1)c1ccnc(Cl)c1 ZINC000087545369 383851179 /nfs/dbraw/zinc/85/11/79/383851179.db2.gz NUCRQADZIGTFNG-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN N#Cc1cc(F)cc(CO)c1C(F)(F)F ZINC000575648030 383865005 /nfs/dbraw/zinc/86/50/05/383865005.db2.gz NOGATSRWTFUHSF-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN CCCc1noc(-c2ccc(OC)cc2O)n1 ZINC000111688045 383876171 /nfs/dbraw/zinc/87/61/71/383876171.db2.gz YKOKDUMYODJUMD-UHFFFAOYSA-N 0 0 234.255 2.403 10 0 BEAERN Ic1cccc2c1NCC2 ZINC000035976481 383878440 /nfs/dbraw/zinc/87/84/40/383878440.db2.gz XAEVGMWIRVRFJR-UHFFFAOYSA-N 0 0 245.063 2.259 10 0 BEAERN CCc1cc(N[C@@H](C)[C@H]2CCCO2)nc(C)n1 ZINC000088058393 383878209 /nfs/dbraw/zinc/87/82/09/383878209.db2.gz MDQACBYULZRCBP-JOYOIKCWSA-N 0 0 235.331 2.327 10 0 BEAERN c1snnc1CN[C@H]1CCOc2ccccc21 ZINC000037074417 383934638 /nfs/dbraw/zinc/93/46/38/383934638.db2.gz YNRVUXJNLPITCD-NSHDSACASA-N 0 0 247.323 2.152 10 0 BEAERN Clc1ncc2nc(Br)ccc2n1 ZINC000067172090 383912623 /nfs/dbraw/zinc/91/26/23/383912623.db2.gz INNGDJMGXALKIJ-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN Clc1ccc2nc(Br)ncc2n1 ZINC000067172093 383913126 /nfs/dbraw/zinc/91/31/26/383913126.db2.gz GDLUZGXAXWWLRY-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN COC(=O)c1ccc(SC)cc1OC ZINC000067175651 383914483 /nfs/dbraw/zinc/91/44/83/383914483.db2.gz LMRIXHCZLQEYQP-UHFFFAOYSA-N 0 0 212.270 2.204 10 0 BEAERN CCCc1ccnc(-c2nsc(N)n2)c1 ZINC000067173690 383915903 /nfs/dbraw/zinc/91/59/03/383915903.db2.gz YVSXBGDVBNGSDZ-UHFFFAOYSA-N 0 0 220.301 2.135 10 0 BEAERN Cc1cc(C(C)C)nc(N2CCCCN2)n1 ZINC000400217353 383920398 /nfs/dbraw/zinc/92/03/98/383920398.db2.gz VDCIDCZBPZAMKB-UHFFFAOYSA-N 0 0 220.320 2.013 10 0 BEAERN CC(C)n1ccnc1CN(C)CC(F)(F)F ZINC000112347432 383920691 /nfs/dbraw/zinc/92/06/91/383920691.db2.gz CXMYHZCJJHWGKZ-UHFFFAOYSA-N 0 0 235.253 2.458 10 0 BEAERN CCC[N@@H+](CC(=O)[O-])C[C@@H]1Cc2ccccc21 ZINC000090978078 383923662 /nfs/dbraw/zinc/92/36/62/383923662.db2.gz KNMAOFLPMIFBDT-LBPRGKRZSA-N 0 0 233.311 2.123 10 0 BEAERN Cc1n[nH]cc1Nc1ccnc(C2CC2)n1 ZINC000112554161 383930876 /nfs/dbraw/zinc/93/08/76/383930876.db2.gz CBAUSONUTITIIS-UHFFFAOYSA-N 0 0 215.260 2.129 10 0 BEAERN N#Cc1cc(OC(F)(F)F)c(F)cc1C=O ZINC000575645372 383887093 /nfs/dbraw/zinc/88/70/93/383887093.db2.gz FQBOPJDFNHSAAV-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCN(C[C@@H]1CCCO1)c1ccnc(C2CC2)n1 ZINC000112076309 383895347 /nfs/dbraw/zinc/89/53/47/383895347.db2.gz CEFVGORKFMQRCD-LBPRGKRZSA-N 0 0 247.342 2.359 10 0 BEAERN CC(=O)c1ccccc1OCc1ccn(C)n1 ZINC000211543487 383995307 /nfs/dbraw/zinc/99/53/07/383995307.db2.gz MOIBUXXPBFTSOT-UHFFFAOYSA-N 0 0 230.267 2.202 10 0 BEAERN Fc1ccc(CCNc2cccnn2)cc1 ZINC000052815859 383995584 /nfs/dbraw/zinc/99/55/84/383995584.db2.gz LVRODSBOSDXHKR-UHFFFAOYSA-N 0 0 217.247 2.270 10 0 BEAERN CCCC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112667879 383936565 /nfs/dbraw/zinc/93/65/65/383936565.db2.gz FMAHOWCMWVJARK-UHFFFAOYSA-N 0 0 249.358 2.228 10 0 BEAERN CCc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)cc1 ZINC000089151454 383938924 /nfs/dbraw/zinc/93/89/24/383938924.db2.gz YSDVGIYNMJFWHF-ZIAGYGMSSA-N 0 0 247.338 2.140 10 0 BEAERN Cc1ccc(NC(=O)NC[C@H]2CCC[C@H]2O)cc1 ZINC000089164960 383939033 /nfs/dbraw/zinc/93/90/33/383939033.db2.gz OELAEDGFNVDRIH-DGCLKSJQSA-N 0 0 248.326 2.278 10 0 BEAERN COC1CCN(c2ccc3cn[nH]c3c2)CC1 ZINC000089197341 383943804 /nfs/dbraw/zinc/94/38/04/383943804.db2.gz PJUXIVHQWBHNIJ-UHFFFAOYSA-N 0 0 231.299 2.178 10 0 BEAERN CCCCNc1c2n[nH]cc2ncc1C ZINC000089219625 383949040 /nfs/dbraw/zinc/94/90/40/383949040.db2.gz MOGPVCIIOLBTGQ-UHFFFAOYSA-N 0 0 204.277 2.478 10 0 BEAERN Cc1nc(-c2ccccc2)cc2c1C(=O)NC2 ZINC000089212204 383949716 /nfs/dbraw/zinc/94/97/16/383949716.db2.gz DFNYOSMZXJGSFF-UHFFFAOYSA-N 0 0 224.263 2.300 10 0 BEAERN Nc1ncnc2c1[C@@H](c1ccccc1)N=N2 ZINC000089223069 383952577 /nfs/dbraw/zinc/95/25/77/383952577.db2.gz JHLHPYIGVOQROU-SECBINFHSA-N 0 0 211.228 2.246 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000336464207 383956210 /nfs/dbraw/zinc/95/62/10/383956210.db2.gz ZSKJUESNUFABDF-QWRGUYRKSA-N 0 0 242.363 2.240 10 0 BEAERN COCc1cccc(NCc2cncnc2)c1 ZINC000054767287 383958875 /nfs/dbraw/zinc/95/88/75/383958875.db2.gz WGXGAMISVYOXFW-UHFFFAOYSA-N 0 0 229.283 2.235 10 0 BEAERN Cc1[nH+]c(N)nc(N)c1Cc1ccc(Cl)cc1 ZINC000003641169 384022837 /nfs/dbraw/zinc/02/28/37/384022837.db2.gz LXNGLGDIPZGTHE-UHFFFAOYSA-N 0 0 248.717 2.194 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CC[C@H]2O)C1 ZINC000255190426 384023691 /nfs/dbraw/zinc/02/36/91/384023691.db2.gz XDXSHIJSBJTVSK-GARJFASQSA-N 0 0 241.331 2.014 10 0 BEAERN CCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113886924 384011311 /nfs/dbraw/zinc/01/13/11/384011311.db2.gz DDISVFIDOTWLCX-LLVKDONJSA-N 0 0 221.304 2.263 10 0 BEAERN Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000090397580 384045370 /nfs/dbraw/zinc/04/53/70/384045370.db2.gz GDIHEVJUQKPSNC-LLVKDONJSA-N 0 0 246.310 2.046 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cscn1 ZINC000075371776 384045840 /nfs/dbraw/zinc/04/58/40/384045840.db2.gz NDBWPRVRSONQCB-SFYZADRCSA-N 0 0 210.302 2.062 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cscn1 ZINC000075371777 384046571 /nfs/dbraw/zinc/04/65/71/384046571.db2.gz NDBWPRVRSONQCB-YUMQZZPRSA-N 0 0 210.302 2.062 10 0 BEAERN CCN(CC)c1ncnc2ccc(C=O)cc21 ZINC000090450303 384051491 /nfs/dbraw/zinc/05/14/91/384051491.db2.gz GMCRGEYFNDUPDM-UHFFFAOYSA-N 0 0 229.283 2.289 10 0 BEAERN Cc1cc(CN2CCCC[C@@H]2c2cn[nH]c2)no1 ZINC000114484274 384037345 /nfs/dbraw/zinc/03/73/45/384037345.db2.gz SRIIRYPYQPPWPS-CYBMUJFWSA-N 0 0 246.314 2.433 10 0 BEAERN N#Cc1cc(C=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575650900 384053234 /nfs/dbraw/zinc/05/32/34/384053234.db2.gz USDLENLBNFGYAD-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN COc1cc(C#N)cc(C=O)c1C(F)(F)F ZINC000575650925 384053247 /nfs/dbraw/zinc/05/32/47/384053247.db2.gz XFYRZZNITJRYFK-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CC(C)(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000644907326 384085521 /nfs/dbraw/zinc/08/55/21/384085521.db2.gz JZIKZOSJTKKJBB-GHMZBOCLSA-N 0 0 241.375 2.478 10 0 BEAERN CCC[C@@H]1C[C@@](O)(C(F)(F)F)CCO1 ZINC000069898447 384069158 /nfs/dbraw/zinc/06/91/58/384069158.db2.gz ZODOWAPXJZPYMC-HTQZYQBOSA-N 0 0 212.211 2.259 10 0 BEAERN COC(=O)c1ccc(N)c2sccc21 ZINC000039087025 384100365 /nfs/dbraw/zinc/10/03/65/384100365.db2.gz ZGPMNCZYXBBWRL-UHFFFAOYSA-N 0 0 207.254 2.270 10 0 BEAERN COC(=O)c1cc2sc(C)cc2n1C ZINC000005135178 384101441 /nfs/dbraw/zinc/10/14/41/384101441.db2.gz OMDQDLQTSQWEBL-UHFFFAOYSA-N 0 0 209.270 2.335 10 0 BEAERN CC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000072415754 384105521 /nfs/dbraw/zinc/10/55/21/384105521.db2.gz QSDIMYAFOOLAKX-UHFFFAOYSA-N 0 0 244.298 2.099 10 0 BEAERN CC(C)(O)[C@H]1CCc2ccccc2C1=O ZINC000039123693 384106728 /nfs/dbraw/zinc/10/67/28/384106728.db2.gz NLYBLHMOMZBPBB-NSHDSACASA-N 0 0 204.269 2.203 10 0 BEAERN CC1(C)CC=CC(O)(O)[C@@H]1c1ccccc1 ZINC000039119135 384106840 /nfs/dbraw/zinc/10/68/40/384106840.db2.gz KJDKGBBOXQPIMP-GFCCVEGCSA-N 0 0 218.296 2.437 10 0 BEAERN S=c1nc2c(c[nH]1)Cc1ccccc1-2 ZINC000072416066 384107819 /nfs/dbraw/zinc/10/78/19/384107819.db2.gz AVCMMKGVKFYARA-UHFFFAOYSA-N 0 0 200.266 2.337 10 0 BEAERN Cc1ccc([C@H]2Cc3c(cnn3C)[C@H](O)C2)cc1 ZINC000072415829 384108618 /nfs/dbraw/zinc/10/86/18/384108618.db2.gz CPEMVNAYUVWNTM-SWLSCSKDSA-N 0 0 242.322 2.492 10 0 BEAERN Cn1cc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)cn1 ZINC000116113024 384118398 /nfs/dbraw/zinc/11/83/98/384118398.db2.gz XJAAGHWEQHQNFG-LLVKDONJSA-N 0 0 249.358 2.172 10 0 BEAERN CC(=O)CC(=S)N(C(C)=O)c1ccccc1 ZINC000039125010 384109053 /nfs/dbraw/zinc/10/90/53/384109053.db2.gz IKGUCTAJLIVXDZ-UHFFFAOYSA-N 0 0 235.308 2.346 10 0 BEAERN OCc1cc(O)cc(C(F)F)c1OC(F)F ZINC000575652483 384109748 /nfs/dbraw/zinc/10/97/48/384109748.db2.gz QZHQKNDSYAQWOV-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN Clc1noc(Cc2ccsc2)n1 ZINC000156590020 384110395 /nfs/dbraw/zinc/11/03/95/384110395.db2.gz PFPLYHQLUCQCNQ-UHFFFAOYSA-N 0 0 200.650 2.375 10 0 BEAERN O=c1[nH]c2ccccc2c2[nH]c(=S)[nH]c21 ZINC000072416403 384111996 /nfs/dbraw/zinc/11/19/96/384111996.db2.gz JBJRWVAXNGEOIL-UHFFFAOYSA-N 0 0 217.253 2.067 10 0 BEAERN O=C1NC[C@@H](Cc2ccccc2)n2cccc21 ZINC000091301802 384115641 /nfs/dbraw/zinc/11/56/41/384115641.db2.gz KXPYIPFDZQQZOV-GFCCVEGCSA-N 0 0 226.279 2.015 10 0 BEAERN Brc1ccnc(N2CC=CC2)c1 ZINC000227654731 384121010 /nfs/dbraw/zinc/12/10/10/384121010.db2.gz HXXXYVWECJZZRM-UHFFFAOYSA-N 0 0 225.089 2.220 10 0 BEAERN O=Cc1cncc(-c2ccc(F)cn2)c1 ZINC000091366253 384122862 /nfs/dbraw/zinc/12/28/62/384122862.db2.gz VXCGEBGOMBXSHH-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN COc1cc(Cl)cc(-c2ccc(=O)[nH]n2)c1 ZINC000091366484 384123276 /nfs/dbraw/zinc/12/32/76/384123276.db2.gz OPYLJSGTXFVNJF-UHFFFAOYSA-N 0 0 236.658 2.099 10 0 BEAERN O=c1[nH]ncc(OCC2CCCCC2)c1Cl ZINC000091366060 384123898 /nfs/dbraw/zinc/12/38/98/384123898.db2.gz OUQRQKLVQTUNJU-UHFFFAOYSA-N 0 0 242.706 2.382 10 0 BEAERN FC(F)(F)Cc1nnc(Br)s1 ZINC000071051562 384147816 /nfs/dbraw/zinc/14/78/16/384147816.db2.gz RDYMXCAGPMNNQH-UHFFFAOYSA-N 0 0 247.039 2.405 10 0 BEAERN CCN(CCO)c1ccc2ccccc2n1 ZINC000040412230 384152508 /nfs/dbraw/zinc/15/25/08/384152508.db2.gz MZAAWLYQBYXYBQ-UHFFFAOYSA-N 0 0 216.284 2.053 10 0 BEAERN O=C1C=CC(=O)N1Sc1cccc(Cl)c1 ZINC000071186763 384154525 /nfs/dbraw/zinc/15/45/25/384154525.db2.gz FFICFWWMAWCHIZ-UHFFFAOYSA-N 0 0 239.683 2.272 10 0 BEAERN c1ncc(CN2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000091978775 384157194 /nfs/dbraw/zinc/15/71/94/384157194.db2.gz AYVFNYFEQBZZET-RYUDHWBXSA-N 0 0 238.356 2.287 10 0 BEAERN O=Cc1cnc(-c2ccc(O)cc2)s1 ZINC000040711304 384162788 /nfs/dbraw/zinc/16/27/88/384162788.db2.gz ZJAWGZJMLAFVNL-UHFFFAOYSA-N 0 0 205.238 2.328 10 0 BEAERN O[C@@H](Cc1ccsc1)C(F)(F)Cl ZINC000156651556 384185370 /nfs/dbraw/zinc/18/53/70/384185370.db2.gz HRTPBFUPNZDFTI-LURJTMIESA-N 0 0 212.648 2.483 10 0 BEAERN O[C@@H](c1occc1Br)C(F)F ZINC000156660487 384187021 /nfs/dbraw/zinc/18/70/21/384187021.db2.gz CAYYLUXIZYZENP-BYPYZUCNSA-N 0 0 227.004 2.341 10 0 BEAERN COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC1(C)C ZINC000004203353 384234167 /nfs/dbraw/zinc/23/41/67/384234167.db2.gz PETMLUYRRDBMHW-CYBMUJFWSA-N 0 0 247.338 2.318 10 0 BEAERN CC[C@H](C)c1noc(C[C@H](O)C(C)C)n1 ZINC000082563093 384236362 /nfs/dbraw/zinc/23/63/62/384236362.db2.gz JAOMVARMINWRES-IUCAKERBSA-N 0 0 212.293 2.143 10 0 BEAERN Cn1ccc(NC(=O)NCCC2=CCCC2)n1 ZINC000119135187 384238963 /nfs/dbraw/zinc/23/89/63/384238963.db2.gz ICZPFIUBGGMMOK-UHFFFAOYSA-N 0 0 234.303 2.042 10 0 BEAERN N#CCc1c(C=O)cc(C#N)cc1C(F)(F)F ZINC000575646220 384214290 /nfs/dbraw/zinc/21/42/90/384214290.db2.gz IWBVVFYGZUGKOY-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN c1cc([C@@H]2CN(c3cnccn3)CCO2)cs1 ZINC000132050086 384214345 /nfs/dbraw/zinc/21/43/45/384214345.db2.gz XUCYAKHLGGAINC-NSHDSACASA-N 0 0 247.323 2.116 10 0 BEAERN COc1ccc([C@@H](C)[NH2+]C2CC2)cc1NC(C)=O ZINC000132756759 384248712 /nfs/dbraw/zinc/24/87/12/384248712.db2.gz VTKCANFFXNVOFB-SECBINFHSA-N 0 0 248.326 2.467 10 0 BEAERN CC(C)n1nnnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000173810199 384269324 /nfs/dbraw/zinc/26/93/24/384269324.db2.gz CXYCNRLEVRUOHZ-RYUDHWBXSA-N 0 0 249.362 2.019 10 0 BEAERN COC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000044199757 384320988 /nfs/dbraw/zinc/32/09/88/384320988.db2.gz ZRDQLSRLKNKTMZ-UHFFFAOYSA-N 0 0 230.647 2.144 10 0 BEAERN C[C@@H](CO)Sc1ccc(F)c(F)c1 ZINC000259067390 384283574 /nfs/dbraw/zinc/28/35/74/384283574.db2.gz NCOPQSGWFXGTDB-LURJTMIESA-N 0 0 204.241 2.438 10 0 BEAERN COC(=O)c1ccc(-c2cc(N)cc(F)c2)nc1 ZINC000097758668 384284205 /nfs/dbraw/zinc/28/42/05/384284205.db2.gz RZHQFABQUXFVQL-UHFFFAOYSA-N 0 0 246.241 2.257 10 0 BEAERN COC(=O)c1cccc(NC2CCC2)c1 ZINC000044480586 384335670 /nfs/dbraw/zinc/33/56/70/384335670.db2.gz NPGGHCXOFPZKPC-UHFFFAOYSA-N 0 0 205.257 2.438 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000075958442 384346562 /nfs/dbraw/zinc/34/65/62/384346562.db2.gz YBAZPPUSQPOERJ-MFKMUULPSA-N 0 0 247.342 2.278 10 0 BEAERN CN(Cc1cccc(O)c1)C(F)(F)F ZINC000095074837 384350681 /nfs/dbraw/zinc/35/06/81/384350681.db2.gz RDSLKCQMRWZXCZ-UHFFFAOYSA-N 0 0 205.179 2.344 10 0 BEAERN CCOc1cc(OC(F)F)c(CO)cc1F ZINC000575655163 384352466 /nfs/dbraw/zinc/35/24/66/384352466.db2.gz JGTVFWABZHCHDJ-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN COC(=O)c1cccc(CN(C)C(F)(F)F)c1 ZINC000095076133 384353549 /nfs/dbraw/zinc/35/35/49/384353549.db2.gz RFGLZPDXSCUFFM-UHFFFAOYSA-N 0 0 247.216 2.425 10 0 BEAERN COC(=O)c1cccc(N(C)C(F)(F)F)c1 ZINC000095076130 384353589 /nfs/dbraw/zinc/35/35/89/384353589.db2.gz WPTTUNFRSZBIQP-UHFFFAOYSA-N 0 0 233.189 2.429 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000120443052 384355896 /nfs/dbraw/zinc/35/58/96/384355896.db2.gz AYQUQPPDSKSHIS-CMPLNLGQSA-N 0 0 248.326 2.464 10 0 BEAERN C/C=C/C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000095081866 384358743 /nfs/dbraw/zinc/35/87/43/384358743.db2.gz ADJLYUKGFXQIBH-HMDXOVGESA-N 0 0 247.294 2.211 10 0 BEAERN CC[C@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000134493697 384360478 /nfs/dbraw/zinc/36/04/78/384360478.db2.gz JAABQZRULFXHOK-QWRGUYRKSA-N 0 0 247.342 2.088 10 0 BEAERN CC[C@H]1CN(Cc2ccccc2)C(=O)CC1=O ZINC000095093409 384363419 /nfs/dbraw/zinc/36/34/19/384363419.db2.gz ADSHHHOEECKWOW-LBPRGKRZSA-N 0 0 231.295 2.014 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1C ZINC000075522223 384330057 /nfs/dbraw/zinc/33/00/57/384330057.db2.gz ZOUUAKIAZCNVAZ-PWSUYJOCSA-N 0 0 203.285 2.442 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1F ZINC000075524580 384330064 /nfs/dbraw/zinc/33/00/64/384330064.db2.gz LGGIIAHVLCNTAE-GZMMTYOYSA-N 0 0 207.248 2.272 10 0 BEAERN O=Cc1cc(Cl)nc(Br)c1 ZINC000095761257 384392155 /nfs/dbraw/zinc/39/21/55/384392155.db2.gz ITDGLHOLFMPOOK-UHFFFAOYSA-N 0 0 220.453 2.310 10 0 BEAERN Clc1cnc2nc(Cl)nc(Cl)c2n1 ZINC000095774780 384394473 /nfs/dbraw/zinc/39/44/73/384394473.db2.gz JXMYRANHRVQQRK-UHFFFAOYSA-N 0 0 235.461 2.380 10 0 BEAERN CCOc1cc(OC(F)F)cc(C)c1CO ZINC000575658794 384396773 /nfs/dbraw/zinc/39/67/73/384396773.db2.gz WEOCIGTVSFTFMA-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCc1cc(OC(F)F)cc(CO)c1OC ZINC000575659201 384400058 /nfs/dbraw/zinc/40/00/58/384400058.db2.gz WWLPFBDODNXUEE-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN COC(=O)/C=C/c1ccc(OC)cc1F ZINC000095830598 384400252 /nfs/dbraw/zinc/40/02/52/384400252.db2.gz YUIHJWVNGQTMNF-GQCTYLIASA-N 0 0 210.204 2.021 10 0 BEAERN COC(=O)[C@H]1CCCCN1c1ccccc1 ZINC000095830203 384401001 /nfs/dbraw/zinc/40/10/01/384401001.db2.gz VOKNWLCXVZXJEN-GFCCVEGCSA-N 0 0 219.284 2.219 10 0 BEAERN CC[C@@H](CC(=O)NCc1noc(C)n1)C(C)C ZINC000134983610 384403736 /nfs/dbraw/zinc/40/37/36/384403736.db2.gz ZPRRHJNVJHRHDR-JTQLQIEISA-N 0 0 239.319 2.067 10 0 BEAERN COC(=O)c1c(C)nc2ccc(Cl)cn21 ZINC000009238489 384408091 /nfs/dbraw/zinc/40/80/91/384408091.db2.gz LNQCBNZHHYKKLJ-UHFFFAOYSA-N 0 0 224.647 2.083 10 0 BEAERN COc1c(C=O)ccc(OC(F)F)c1F ZINC000575660211 384408426 /nfs/dbraw/zinc/40/84/26/384408426.db2.gz PRKCNPJWJZKSSG-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN Cn1cc([C@H]2CCCN2Cc2nccs2)cn1 ZINC000135039676 384408696 /nfs/dbraw/zinc/40/86/96/384408696.db2.gz ACSJFFGUTIHZEH-LLVKDONJSA-N 0 0 248.355 2.214 10 0 BEAERN Cc1cc(F)c(CO)c(OC(F)F)c1 ZINC000575660963 384411197 /nfs/dbraw/zinc/41/11/97/384411197.db2.gz FHWUIEMFOAWTDG-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CC(C)(C)OC(=O)c1ccc2[nH]nc(N)c2c1 ZINC000095933106 384412994 /nfs/dbraw/zinc/41/29/94/384412994.db2.gz KEOIGLJREOABKA-UHFFFAOYSA-N 0 0 233.271 2.100 10 0 BEAERN Cc1c(F)ccc(OC(F)F)c1CO ZINC000575661344 384413898 /nfs/dbraw/zinc/41/38/98/384413898.db2.gz MAXOOHONKZURSU-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Cc1c2c(c(N)cc1Br)[C@H](O)CC2 ZINC000095936000 384415119 /nfs/dbraw/zinc/41/51/19/384415119.db2.gz BUBPHKIJBJFNSJ-SECBINFHSA-N 0 0 242.116 2.319 10 0 BEAERN CC(C)n1cccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000121381458 384415623 /nfs/dbraw/zinc/41/56/23/384415623.db2.gz FUOUSKMGLNLVOF-VHSXEESVSA-N 0 0 206.289 2.207 10 0 BEAERN O=C(c1cnc2[nH]ccc2c1Cl)n1ccnc1 ZINC000095938265 384416884 /nfs/dbraw/zinc/41/68/84/384416884.db2.gz YLCKVTINSLLACX-UHFFFAOYSA-N 0 0 246.657 2.101 10 0 BEAERN CCOc1cc(C=O)ccc1-n1cnc(C)c1 ZINC000095938048 384417316 /nfs/dbraw/zinc/41/73/16/384417316.db2.gz POSKAEPTTCNMSH-UHFFFAOYSA-N 0 0 230.267 2.392 10 0 BEAERN COc1cc(OC(F)F)c(C=O)cc1C ZINC000575664087 384427219 /nfs/dbraw/zinc/42/72/19/384427219.db2.gz BIOFSYRWNSNSSO-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN CCOc1cc(F)cc(OC(F)F)c1CO ZINC000575657310 384386183 /nfs/dbraw/zinc/38/61/83/384386183.db2.gz UGXFXZFMAWHABD-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Clc1[nH]nc2cnc(Br)cc12 ZINC000076914683 384387304 /nfs/dbraw/zinc/38/73/04/384387304.db2.gz DLSRNINJBNNCRD-UHFFFAOYSA-N 0 0 232.468 2.374 10 0 BEAERN CCOc1cc(CO)cc(C)c1OC(F)F ZINC000575658409 384388302 /nfs/dbraw/zinc/38/83/02/384388302.db2.gz STUQITZCJIBQOT-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN Cc1cc(C=O)cc(CO)c1C(F)F ZINC000575668765 384447093 /nfs/dbraw/zinc/44/70/93/384447093.db2.gz NKYUGLQMENPGMZ-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CC1CC(C(=O)Nc2cccc(CCO)c2)C1 ZINC000556688017 384451845 /nfs/dbraw/zinc/45/18/45/384451845.db2.gz SQQAAAGWOZCGQB-UHFFFAOYSA-N 0 0 233.311 2.206 10 0 BEAERN CC(=O)c1c(O)cc(C=O)cc1C(F)F ZINC000575669640 384456626 /nfs/dbraw/zinc/45/66/26/384456626.db2.gz GYQSNTMBKWTGHI-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN COc1cc(OC(F)F)c(CO)cc1C ZINC000575665133 384428098 /nfs/dbraw/zinc/42/80/98/384428098.db2.gz OHSBZTQZQKENCL-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1cc(O)cc(C)c1OC(F)F ZINC000575664860 384428966 /nfs/dbraw/zinc/42/89/66/384428966.db2.gz LSCALSMKFAKKER-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN COc1cc(C=O)c(C)c(OC(F)F)c1 ZINC000575665061 384429916 /nfs/dbraw/zinc/42/99/16/384429916.db2.gz OATMAWMAYTXHNZ-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN CCOc1nc(N)nc(C)c1Cc1ccccc1 ZINC000079067228 384483194 /nfs/dbraw/zinc/48/31/94/384483194.db2.gz QHMMBQLFKZPXAQ-UHFFFAOYSA-N 0 0 243.310 2.357 10 0 BEAERN Cc1nc(-c2ccsc2)nc(N)c1C ZINC000050847348 384495616 /nfs/dbraw/zinc/49/56/16/384495616.db2.gz CIGBKPJNNQWFPG-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN c1ccc2[nH]c(CNCc3cccnc3)nc2c1 ZINC000048409046 384488320 /nfs/dbraw/zinc/48/83/20/384488320.db2.gz PNXSQSYMAYWWSO-UHFFFAOYSA-N 0 0 238.294 2.248 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncnc2c1CCCCC2 ZINC000149960276 384488725 /nfs/dbraw/zinc/48/87/25/384488725.db2.gz VTBGXJCJDWDVLV-CMPLNLGQSA-N 0 0 247.342 2.335 10 0 BEAERN C[C@@H](NC(=O)CCc1ccccc1O)C1CC1 ZINC000048412654 384489815 /nfs/dbraw/zinc/48/98/15/384489815.db2.gz FBLQMVKXXJHIDH-SNVBAGLBSA-N 0 0 233.311 2.240 10 0 BEAERN CCCc1noc(-c2ccc(OC)nc2)n1 ZINC000085345999 384518628 /nfs/dbraw/zinc/51/86/28/384518628.db2.gz DYPOEEFHURHXMJ-UHFFFAOYSA-N 0 0 219.244 2.093 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000122916858 384524098 /nfs/dbraw/zinc/52/40/98/384524098.db2.gz CCYVYFLVWWIFLA-XRGYYRRGSA-N 0 0 229.201 2.242 10 0 BEAERN Cc1cc(OCCc2ccccc2)nn1C ZINC000123311724 384551265 /nfs/dbraw/zinc/55/12/65/384551265.db2.gz YMAWGRPJOZRKIJ-UHFFFAOYSA-N 0 0 216.284 2.350 10 0 BEAERN O=C(CCC[N@H+]1CCC[C@H](O)C1)c1ccccc1 ZINC000049773419 384563496 /nfs/dbraw/zinc/56/34/96/384563496.db2.gz LTOFTYZTPKPFAV-AWEZNQCLSA-N 0 0 247.338 2.106 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000151037398 384537373 /nfs/dbraw/zinc/53/73/73/384537373.db2.gz RPSAMAMEECTGHJ-GARJFASQSA-N 0 0 213.321 2.249 10 0 BEAERN Cc1ccc([C@H](C)NCc2cn(C)nc2C)o1 ZINC000123601381 384569816 /nfs/dbraw/zinc/56/98/16/384569816.db2.gz IEXLAASRNPKRRO-NSHDSACASA-N 0 0 233.315 2.481 10 0 BEAERN Cc1ccnc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000184140467 384571461 /nfs/dbraw/zinc/57/14/61/384571461.db2.gz FCWBWGIQRLBUTK-QWRGUYRKSA-N 0 0 249.314 2.031 10 0 BEAERN Nc1ccc2[nH]nc(C(F)(F)F)c2c1 ZINC000080724747 384580245 /nfs/dbraw/zinc/58/02/45/384580245.db2.gz HTFVEDPYBMUSPJ-UHFFFAOYSA-N 0 0 201.151 2.164 10 0 BEAERN Cc1cccc(CCNC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000151318389 384564679 /nfs/dbraw/zinc/56/46/79/384564679.db2.gz AMACVCJQNVYWSZ-JSGCOSHPSA-N 0 0 247.338 2.221 10 0 BEAERN CCC(CC)[S@@](=O)CC(=O)NC(C)(C)CC ZINC000108134240 384565651 /nfs/dbraw/zinc/56/56/51/384565651.db2.gz QSGUHOHJIPOWOO-MRXNPFEDSA-N 0 0 247.404 2.229 10 0 BEAERN COC(=O)c1cc(-c2cccc(F)c2)on1 ZINC000098209785 384603619 /nfs/dbraw/zinc/60/36/19/384603619.db2.gz BCBSUOISLUHEAN-UHFFFAOYSA-N 0 0 221.187 2.267 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)CCC(C)C ZINC000103357453 384607463 /nfs/dbraw/zinc/60/74/63/384607463.db2.gz GEDFOFZZCJOBPF-GHMZBOCLSA-N 0 0 215.337 2.210 10 0 BEAERN COC[C@H](C)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000103374201 384610730 /nfs/dbraw/zinc/61/07/30/384610730.db2.gz YDDYTQKUYNYSGQ-VHSXEESVSA-N 0 0 225.332 2.058 10 0 BEAERN CC(C)(C)OC(=O)[C@](C)(N)c1ccccc1 ZINC000052880814 384612974 /nfs/dbraw/zinc/61/29/74/384612974.db2.gz SMFLSCJHGMOWSS-CYBMUJFWSA-N 0 0 221.300 2.202 10 0 BEAERN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1 ZINC000100216488 384623944 /nfs/dbraw/zinc/62/39/44/384623944.db2.gz CZYCREFHHMUIAW-DTIDVZRVSA-N 0 0 239.315 2.031 10 0 BEAERN Cc1ccc(N[C@H]2CC[C@H](O)CC2)nc1 ZINC000100251059 384627556 /nfs/dbraw/zinc/62/75/56/384627556.db2.gz TXAJRSUNYMCUOD-PHIMTYICSA-N 0 0 206.289 2.105 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000103516554 384628714 /nfs/dbraw/zinc/62/87/14/384628714.db2.gz KKJWKSDEKWEIKG-YUSALJHKSA-N 0 0 222.332 2.369 10 0 BEAERN CSc1nnc(Br)s1 ZINC000081665748 384629867 /nfs/dbraw/zinc/62/98/67/384629867.db2.gz XJRSSTCKTZZGHE-UHFFFAOYSA-N 0 0 211.109 2.023 10 0 BEAERN Nc1ccc(C(=O)OC2CCCCC2)cc1N ZINC000098178487 384599040 /nfs/dbraw/zinc/59/90/40/384599040.db2.gz FOJCZSAZIXCTFQ-UHFFFAOYSA-N 0 0 234.299 2.341 10 0 BEAERN O=Cc1cc(Br)sc1C=O ZINC000098180089 384600823 /nfs/dbraw/zinc/60/08/23/384600823.db2.gz CJALNXQQXPYSRB-UHFFFAOYSA-N 0 0 219.059 2.136 10 0 BEAERN O=c1ccc(Nc2ccc(Cl)cc2)n[nH]1 ZINC000098181163 384602183 /nfs/dbraw/zinc/60/21/83/384602183.db2.gz HNFHYOANRBOBHX-UHFFFAOYSA-N 0 0 221.647 2.167 10 0 BEAERN COC(=O)c1cc(O)c2cc(OC)ccc2c1 ZINC000082319713 384666721 /nfs/dbraw/zinc/66/67/21/384666721.db2.gz QMHLCBOFHMGNES-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN c1cnc(N[C@H]2CCc3ccccc3C2)nc1 ZINC000051449021 384668617 /nfs/dbraw/zinc/66/86/17/384668617.db2.gz MBCVEIVLVZHDSO-ZDUSSCGKSA-N 0 0 225.295 2.446 10 0 BEAERN O=Cc1ccc(F)c(Br)c1C=O ZINC000575689663 384634707 /nfs/dbraw/zinc/63/47/07/384634707.db2.gz YXGZHABLMQNNMC-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN Cc1cnc(CCN(C)C(=O)CC(C)C)s1 ZINC000124451870 384642015 /nfs/dbraw/zinc/64/20/15/384642015.db2.gz SJKLKZAITYFJDY-UHFFFAOYSA-N 0 0 240.372 2.499 10 0 BEAERN O=C1Cc2c(cc(Cl)cc2Cl)N1 ZINC000043220563 384658349 /nfs/dbraw/zinc/65/83/49/384658349.db2.gz JYYCEJLNDXFTLJ-UHFFFAOYSA-N 0 0 202.040 2.488 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)N1 ZINC000238439261 384658857 /nfs/dbraw/zinc/65/88/57/384658857.db2.gz FQRMBGGAKFARQJ-RKDXNWHRSA-N 0 0 214.309 2.299 10 0 BEAERN Cc1c(N)cccc1NC(=O)CC(F)(F)F ZINC000022143494 384661813 /nfs/dbraw/zinc/66/18/13/384661813.db2.gz LYZYINCDRAGUGH-UHFFFAOYSA-N 0 0 232.205 2.468 10 0 BEAERN Cc1cnc(CCN(C)C(=O)C(C)(C)C)s1 ZINC000124954420 384688115 /nfs/dbraw/zinc/68/81/15/384688115.db2.gz ZKGQNZSQQVVMIY-UHFFFAOYSA-N 0 0 240.372 2.499 10 0 BEAERN COC[C@@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000125026054 384690526 /nfs/dbraw/zinc/69/05/26/384690526.db2.gz FLTUANGAYMEDCW-PWSUYJOCSA-N 0 0 241.356 2.156 10 0 BEAERN Cc1cc(C(=O)NCC[C@@H](C)O)ccc1Cl ZINC000125221239 384704758 /nfs/dbraw/zinc/70/47/58/384704758.db2.gz UXRJVKNDSZBYRH-SECBINFHSA-N 0 0 241.718 2.149 10 0 BEAERN C[C@@H]1Cc2c(cc(Br)cc2O)O1 ZINC000051971816 384706888 /nfs/dbraw/zinc/70/68/88/384706888.db2.gz WPKCUORKKDOBCK-RXMQYKEDSA-N 0 0 229.073 2.478 10 0 BEAERN Cc1ccc(OCCC(=O)N2CCCO2)cc1C ZINC000125468367 384718233 /nfs/dbraw/zinc/71/82/33/384718233.db2.gz LRBHDYVOVHLWTE-UHFFFAOYSA-N 0 0 249.310 2.236 10 0 BEAERN CCO[C@H]1C[C@H](c2ccccc2)C(=O)O1 ZINC000143253850 384720567 /nfs/dbraw/zinc/72/05/67/384720567.db2.gz UWNOCPOSLHHZDE-GHMZBOCLSA-N 0 0 206.241 2.080 10 0 BEAERN CCOCc1csc(NC[C@@H]2CCCO2)n1 ZINC000309945000 384731698 /nfs/dbraw/zinc/73/16/98/384731698.db2.gz CZQVPKXLOBCQOI-JTQLQIEISA-N 0 0 242.344 2.271 10 0 BEAERN CC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 ZINC000052300366 384733029 /nfs/dbraw/zinc/73/30/29/384733029.db2.gz PBELQLGUMZTIKU-PRHODGIISA-N 0 0 232.283 2.419 10 0 BEAERN CCOC(=O)Cc1cc(O)cc(Cl)c1OC ZINC000575700342 384739248 /nfs/dbraw/zinc/73/92/48/384739248.db2.gz ICNNZYFGQKVDNO-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CC[C@](C)(CCO)NC(=O)[C@@H]1CCC[C@H]1C ZINC000300395499 384751024 /nfs/dbraw/zinc/75/10/24/384751024.db2.gz CKLUYKBKBYFSIU-NQBHXWOUSA-N 0 0 227.348 2.090 10 0 BEAERN CSCCCn1ncc2ccccc2c1=O ZINC000174066179 384751232 /nfs/dbraw/zinc/75/12/32/384751232.db2.gz PTIYBDNAPBHUDK-UHFFFAOYSA-N 0 0 234.324 2.150 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(OC)c1F ZINC000575702183 384759664 /nfs/dbraw/zinc/75/96/64/384759664.db2.gz LQXNRAOIBVTMCO-UHFFFAOYSA-N 0 0 226.247 2.248 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccc(F)cc1 ZINC000103356316 384762692 /nfs/dbraw/zinc/76/26/92/384762692.db2.gz GWMFPAASLQSYRQ-MRVPVSSYSA-N 0 0 212.220 2.014 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000103356971 384762800 /nfs/dbraw/zinc/76/28/00/384762800.db2.gz AOACQBFNLREASH-SSDOTTSWSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@@H](C)C(=O)NCc1ccc(F)c(C)c1 ZINC000103362880 384764871 /nfs/dbraw/zinc/76/48/71/384764871.db2.gz QQYYKAOLHFOEHS-SNVBAGLBSA-N 0 0 239.290 2.033 10 0 BEAERN COC[C@H](C)C(=O)NCCCC1CCCC1 ZINC000103372210 384765530 /nfs/dbraw/zinc/76/55/30/384765530.db2.gz ASGIALAKKFXNCY-NSHDSACASA-N 0 0 227.348 2.356 10 0 BEAERN Nc1cc(-c2c(F)cc(F)cc2F)no1 ZINC000083446371 384772272 /nfs/dbraw/zinc/77/22/72/384772272.db2.gz WZZRFNWFPYULIK-UHFFFAOYSA-N 0 0 214.146 2.341 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000103430440 384772253 /nfs/dbraw/zinc/77/22/53/384772253.db2.gz XDFJRBLJDJEPEW-WPRPVWTQSA-N 0 0 225.288 2.048 10 0 BEAERN C[C@H]1[C@H](O)CCCN1C(=O)CC1=CCCCC1 ZINC000336233852 384837369 /nfs/dbraw/zinc/83/73/69/384837369.db2.gz RBINPZHNIPBAPY-WCQYABFASA-N 0 0 237.343 2.249 10 0 BEAERN Cc1cnn(CCNc2ccncc2Cl)c1 ZINC000176924193 384820206 /nfs/dbraw/zinc/82/02/06/384820206.db2.gz KQHCFQJXCBHZPV-UHFFFAOYSA-N 0 0 236.706 2.352 10 0 BEAERN Cn1ccc(CSc2cccc(O)c2)n1 ZINC000127016926 384827988 /nfs/dbraw/zinc/82/79/88/384827988.db2.gz KOIOSWFETFLFPW-UHFFFAOYSA-N 0 0 220.297 2.418 10 0 BEAERN CCc1cc(N)nn1-c1ccc(F)cc1F ZINC000054404784 384834760 /nfs/dbraw/zinc/83/47/60/384834760.db2.gz KDJSGXYNANVDSZ-UHFFFAOYSA-N 0 0 223.226 2.295 10 0 BEAERN C[C@@H]1OCC[C@@H]1SC[C@H](O)C(C)(C)C ZINC000308570756 384814046 /nfs/dbraw/zinc/81/40/46/384814046.db2.gz DYNBCEVSKLULKZ-GUBZILKMSA-N 0 0 218.362 2.304 10 0 BEAERN Cn1ncnc1CNc1nc2ccccc2s1 ZINC000301425104 384875428 /nfs/dbraw/zinc/87/54/28/384875428.db2.gz GLSSHDDSDYOIDE-UHFFFAOYSA-N 0 0 245.311 2.037 10 0 BEAERN Cc1nnc2c(C)cc(Br)cn12 ZINC000084886183 384880241 /nfs/dbraw/zinc/88/02/41/384880241.db2.gz ZGSFQUYONIPIJE-UHFFFAOYSA-N 0 0 226.077 2.109 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105859104 384882748 /nfs/dbraw/zinc/88/27/48/384882748.db2.gz FCOYPYCFJQVQOB-OLZOCXBDSA-N 0 0 249.358 2.401 10 0 BEAERN CCCC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000105851223 384883801 /nfs/dbraw/zinc/88/38/01/384883801.db2.gz OZSWQSORNPLOKS-LBPRGKRZSA-N 0 0 249.358 2.409 10 0 BEAERN CCOc1ccc2c3noc(=O)c-3c[nH]c2c1 ZINC000072237189 384841344 /nfs/dbraw/zinc/84/13/44/384841344.db2.gz LAGYELGIPBLLEH-UHFFFAOYSA-N 0 0 230.223 2.068 10 0 BEAERN CCC1(CNC(=O)N[C@@H]2C[C@@H]2C)CCC1 ZINC000084156890 384842156 /nfs/dbraw/zinc/84/21/56/384842156.db2.gz KHRNPTDPZHBLCD-VHSXEESVSA-N 0 0 210.321 2.274 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nc(OC)ncc1Cl ZINC000225356278 384842051 /nfs/dbraw/zinc/84/20/51/384842051.db2.gz CZFZAPCPMXUCEA-POYBYMJQSA-N 0 0 227.695 2.349 10 0 BEAERN Cc1cc(-c2nnc([C@@H]3CCCO3)[nH]2)ccc1N ZINC000072236747 384843844 /nfs/dbraw/zinc/84/38/44/384843844.db2.gz UWXWXMPYROWMNC-NSHDSACASA-N 0 0 244.298 2.214 10 0 BEAERN Nc1cc(-c2nc(-c3ccco3)n[nH]2)ccc1O ZINC000072237547 384846151 /nfs/dbraw/zinc/84/61/51/384846151.db2.gz XLHYPNKBIBTOSF-UHFFFAOYSA-N 0 0 242.238 2.020 10 0 BEAERN CC[C@H]1CN(C(=O)OC(C)C)C[C@H](C)O1 ZINC000497190489 384851175 /nfs/dbraw/zinc/85/11/75/384851175.db2.gz OJBWQHTYZLZZQG-UWVGGRQHSA-N 0 0 215.293 2.031 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000186526130 384851585 /nfs/dbraw/zinc/85/15/85/384851585.db2.gz LPDHDNOPSOASLQ-XCBNKYQSSA-N 0 0 247.323 2.276 10 0 BEAERN CSc1ccc(NCCOCC2CC2)nn1 ZINC000301233419 384867057 /nfs/dbraw/zinc/86/70/57/384867057.db2.gz BRRAUZAASMWAEG-UHFFFAOYSA-N 0 0 239.344 2.037 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1cnc2ccccc2n1 ZINC000149951043 384955387 /nfs/dbraw/zinc/95/53/87/384955387.db2.gz KABGXJVDHOATJI-VHSXEESVSA-N 0 0 229.283 2.219 10 0 BEAERN CCc1cc(N)c(N)cc1OC(F)F ZINC000575720630 384896856 /nfs/dbraw/zinc/89/68/56/384896856.db2.gz PYJJTFRPMQFWBW-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN CSCC(=O)NCCc1c[nH]c2ccccc12 ZINC000027330491 384900503 /nfs/dbraw/zinc/90/05/03/384900503.db2.gz OHCICBKLCIFZFK-UHFFFAOYSA-N 0 0 248.351 2.190 10 0 BEAERN CCOc1cc(N)c(N)cc1Br ZINC000575722996 384901514 /nfs/dbraw/zinc/90/15/14/384901514.db2.gz QJDLKZSJQVEQHX-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN CCOc1cc(Br)c(N)c(OC)c1 ZINC000575723328 384902260 /nfs/dbraw/zinc/90/22/60/384902260.db2.gz VTKHBIHMPHQMSR-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN CCCc1nnc(NC[C@H]2CCCOC2)s1 ZINC000301648349 384904866 /nfs/dbraw/zinc/90/48/66/384904866.db2.gz FGOTXIXMBABLDO-SECBINFHSA-N 0 0 241.360 2.329 10 0 BEAERN CCc1c(N)cnn1-c1ccc(C)cc1 ZINC000085634277 384958614 /nfs/dbraw/zinc/95/86/14/384958614.db2.gz WPBCCLFAKKPFHH-UHFFFAOYSA-N 0 0 201.273 2.325 10 0 BEAERN CCCc1nnc(NC[C@@H](O)[C@@H](C)CC)s1 ZINC000301676357 384906524 /nfs/dbraw/zinc/90/65/24/384906524.db2.gz QPFXWWATCDOGIX-DTWKUNHWSA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnc(N[C@@H](CO)CC(C)C)s1 ZINC000301661682 384907827 /nfs/dbraw/zinc/90/78/27/384907827.db2.gz KBZZDRZISLOGGX-SECBINFHSA-N 0 0 243.376 2.310 10 0 BEAERN COc1cc(C(F)(F)F)c(C=O)cc1C#N ZINC000575646866 384909211 /nfs/dbraw/zinc/90/92/11/384909211.db2.gz IEKGSPBXXFKTSK-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCc1cccc(OCc2cc(=O)[nH][nH]2)c1 ZINC000095554660 384909985 /nfs/dbraw/zinc/90/99/85/384909985.db2.gz TWIIJBHVCFCLDC-UHFFFAOYSA-N 0 0 218.256 2.257 10 0 BEAERN CCOC(=O)Cc1cc(C)c(CC)cc1N ZINC000575725379 384910447 /nfs/dbraw/zinc/91/04/47/384910447.db2.gz XOGBKERDIPRABO-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN COc1ccc(N)c(OC(F)(F)F)c1C ZINC000575728430 384916641 /nfs/dbraw/zinc/91/66/41/384916641.db2.gz BQXLELCJIHBJSG-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN Cc1cc(N)c(OC(F)(F)F)cc1O ZINC000575729227 384919229 /nfs/dbraw/zinc/91/92/29/384919229.db2.gz YAHKQMLDFYDHSZ-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1ccc([C@@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894836 384920425 /nfs/dbraw/zinc/92/04/25/384920425.db2.gz KXBKRVQAVHVPNE-AWEZNQCLSA-N 0 0 216.328 2.104 10 0 BEAERN COc1cc(OC(F)(F)F)c(C)cc1CO ZINC000575729507 384921414 /nfs/dbraw/zinc/92/14/14/384921414.db2.gz MCBPATIDHSRGAY-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CCn1c(C)nnc1CN(C)[C@H](C)C1(C)CC1 ZINC000177231886 384923321 /nfs/dbraw/zinc/92/33/21/384923321.db2.gz YQSTUKGLVWTTOF-SNVBAGLBSA-N 0 0 236.363 2.227 10 0 BEAERN CCOC(=O)c1csc(N(C)C2CCC2)n1 ZINC000128049291 384926271 /nfs/dbraw/zinc/92/62/71/384926271.db2.gz SBMITAKIIWGGDA-UHFFFAOYSA-N 0 0 240.328 2.309 10 0 BEAERN Nc1nc(-c2ccccc2)c2ccccc2nc1=O ZINC000085343577 384938720 /nfs/dbraw/zinc/93/87/20/384938720.db2.gz DHFJIKIXEQKITR-UHFFFAOYSA-N 0 0 249.273 2.239 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nnc(C2CC2)s1 ZINC000301916546 384945822 /nfs/dbraw/zinc/94/58/22/384945822.db2.gz VUZVRGWZXXMKLH-XPUUQOCRSA-N 0 0 225.317 2.005 10 0 BEAERN CC[C@H](C)n1ncc(Br)c1N ZINC000043666334 384982485 /nfs/dbraw/zinc/98/24/85/384982485.db2.gz IPIAADIVIKVFLE-YFKPBYRVSA-N 0 0 218.098 2.199 10 0 BEAERN O=C1Nc2cccc(Cl)c2N2CCC[C@H]12 ZINC000086158656 384994577 /nfs/dbraw/zinc/99/45/77/384994577.db2.gz QNNGFGRLQPPVFO-SECBINFHSA-N 0 0 222.675 2.261 10 0 BEAERN C/C=C/COc1cc(C=O)ccc1OC ZINC000019514166 384998193 /nfs/dbraw/zinc/99/81/93/384998193.db2.gz VHPORRGEJRJKJH-ONEGZZNKSA-N 0 0 206.241 2.463 10 0 BEAERN CCCc1nnc(NCC2(CO)CCC2)s1 ZINC000302111787 384961765 /nfs/dbraw/zinc/96/17/65/384961765.db2.gz AZZDSPOUECFAJX-UHFFFAOYSA-N 0 0 241.360 2.065 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc2ccccc2n1C ZINC000150079270 384963134 /nfs/dbraw/zinc/96/31/34/384963134.db2.gz BPXWHPFLSYSHSJ-VHSXEESVSA-N 0 0 231.299 2.163 10 0 BEAERN CC(C)(C)[C@H](O)CSC[C@H]1CCCO1 ZINC000336679031 384963207 /nfs/dbraw/zinc/96/32/07/384963207.db2.gz FISOLNVNWZQMSR-NXEZZACHSA-N 0 0 218.362 2.306 10 0 BEAERN Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)co1 ZINC000188424194 385049081 /nfs/dbraw/zinc/04/90/81/385049081.db2.gz HYBZORLAOFAVQH-STQMWFEESA-N 0 0 249.310 2.372 10 0 BEAERN Cc1ccc(N2CCCC[C@H]2CO)cc1 ZINC000086860361 385054223 /nfs/dbraw/zinc/05/42/23/385054223.db2.gz NRRIPKCOJZESRI-ZDUSSCGKSA-N 0 0 205.301 2.346 10 0 BEAERN COC(=O)c1ccc2ccn(C(C)=O)c2c1 ZINC000060293818 385077161 /nfs/dbraw/zinc/07/71/61/385077161.db2.gz GGOQZKUQPXTQKN-UHFFFAOYSA-N 0 0 217.224 2.088 10 0 BEAERN Clc1cncc(SC2CCOCC2)n1 ZINC000062054762 385030946 /nfs/dbraw/zinc/03/09/46/385030946.db2.gz LVXCCNKSKKVNEY-UHFFFAOYSA-N 0 0 230.720 2.401 10 0 BEAERN COC(=O)C1=CN(C)C=C[C@H]1c1ccccc1 ZINC000059313630 385047064 /nfs/dbraw/zinc/04/70/64/385047064.db2.gz UKKTVQVIAVVILG-LBPRGKRZSA-N 0 0 229.279 2.286 10 0 BEAERN CN(C)Cc1cccc(N)c1Br ZINC000234237900 385120543 /nfs/dbraw/zinc/12/05/43/385120543.db2.gz ZMQKHVVPWJXORB-UHFFFAOYSA-N 0 0 229.121 2.093 10 0 BEAERN CCc1ccc([C@@H](N)c2cscn2)o1 ZINC000062357060 385134209 /nfs/dbraw/zinc/13/42/09/385134209.db2.gz AHAKEHRARHMXFB-JTQLQIEISA-N 0 0 208.286 2.347 10 0 BEAERN CCONC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081986 385134493 /nfs/dbraw/zinc/13/44/93/385134493.db2.gz JBYDMNVIUKEGAU-BDAKNGLRSA-N 0 0 241.237 2.136 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1ccc(Cl)nc1 ZINC000294709362 385135444 /nfs/dbraw/zinc/13/54/44/385135444.db2.gz BSLUPUQNHAQHLX-GXSJLCMTSA-N 0 0 240.734 2.080 10 0 BEAERN CCC1CCC(Nc2nccn(C)c2=O)CC1 ZINC000061751898 385139836 /nfs/dbraw/zinc/13/98/36/385139836.db2.gz JODYENRIRZNVAW-UHFFFAOYSA-N 0 0 235.331 2.161 10 0 BEAERN CC(C)c1n[nH]cc1C(=O)N[C@H](C)C(C)C ZINC000188844489 385097936 /nfs/dbraw/zinc/09/79/36/385097936.db2.gz OZVXLUOUGIPSCV-SECBINFHSA-N 0 0 223.320 2.307 10 0 BEAERN CN(C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000109706526 385186164 /nfs/dbraw/zinc/18/61/64/385186164.db2.gz JYSKYXSKWZIPPY-SECBINFHSA-N 0 0 219.206 2.046 10 0 BEAERN O=c1cc(C(F)(F)F)nc(NC2CCCC2)[nH]1 ZINC000057342470 385189958 /nfs/dbraw/zinc/18/99/58/385189958.db2.gz YEUICCIHALUWCO-UHFFFAOYSA-N 0 0 247.220 2.143 10 0 BEAERN C[C@@H](C(=O)OCc1cncs1)c1cccnc1 ZINC000129889534 385199266 /nfs/dbraw/zinc/19/92/66/385199266.db2.gz ZXTYASBTDSMETI-SECBINFHSA-N 0 0 248.307 2.385 10 0 BEAERN COCCc1ccccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000189410967 385154451 /nfs/dbraw/zinc/15/44/51/385154451.db2.gz APMSMPRIAJAJGX-GWCFXTLKSA-N 0 0 248.326 2.405 10 0 BEAERN COCc1sc(Br)nc1C ZINC000156824730 385162443 /nfs/dbraw/zinc/16/24/43/385162443.db2.gz IBFYZTWJYMXYSD-UHFFFAOYSA-N 0 0 222.107 2.360 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1F ZINC000063061268 385206782 /nfs/dbraw/zinc/20/67/82/385206782.db2.gz MASNVPAVFIQPCT-KWQFWETISA-N 0 0 207.248 2.272 10 0 BEAERN Nc1nc(-c2ccc3ccccc3n2)ns1 ZINC000063075467 385208701 /nfs/dbraw/zinc/20/87/01/385208701.db2.gz YMGFDLTZGJZYLB-UHFFFAOYSA-N 0 0 228.280 2.336 10 0 BEAERN c1cncc(CCNc2ccnc(C3CC3)n2)c1 ZINC000110127431 385215091 /nfs/dbraw/zinc/21/50/91/385215091.db2.gz VAEOIPVEABMCTM-UHFFFAOYSA-N 0 0 240.310 2.404 10 0 BEAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCOCC1 ZINC000158135719 385229249 /nfs/dbraw/zinc/22/92/49/385229249.db2.gz LEKJQKIYELBLCL-OLZOCXBDSA-N 0 0 237.343 2.062 10 0 BEAERN Cc1cc(NC[C@H]2CCO[C@@H]2C(C)(C)C)ncn1 ZINC000328614746 385240808 /nfs/dbraw/zinc/24/08/08/385240808.db2.gz WVGLPFYFNISMPK-YPMHNXCESA-N 0 0 249.358 2.070 10 0 BEAERN Cc1nc(C)c(F)c(N[C@@H](C)C2CC2)n1 ZINC000308887207 385253272 /nfs/dbraw/zinc/25/32/72/385253272.db2.gz WGFNLFRURBXHSV-LURJTMIESA-N 0 0 209.268 2.443 10 0 BEAERN Cc1ccccc1-c1cc(=O)[nH]c(C)n1 ZINC000044119472 385309080 /nfs/dbraw/zinc/30/90/80/385309080.db2.gz VEMGPMHEWGNAFE-UHFFFAOYSA-N 0 0 200.241 2.054 10 0 BEAERN CSCCc1nc(C(C)(C)C)no1 ZINC000109521743 385319398 /nfs/dbraw/zinc/31/93/98/385319398.db2.gz VQEJNCBGMXYMHA-UHFFFAOYSA-N 0 0 200.307 2.273 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@H]2CC[C@H](C)C2)c1 ZINC000130584876 385264053 /nfs/dbraw/zinc/26/40/53/385264053.db2.gz CNYKMLUQOGZBRH-AAEUAGOBSA-N 0 0 249.358 2.134 10 0 BEAERN Cc1nc(C)c(F)c(NC2CC(F)(F)C2)n1 ZINC000336364591 385279548 /nfs/dbraw/zinc/27/95/48/385279548.db2.gz LNLRNTUEFGQWBQ-UHFFFAOYSA-N 0 0 231.221 2.442 10 0 BEAERN Nc1ccn(-c2cccc(Br)c2)n1 ZINC000054404770 385329409 /nfs/dbraw/zinc/32/94/09/385329409.db2.gz YSUZUBFTGPHXTN-UHFFFAOYSA-N 0 0 238.088 2.217 10 0 BEAERN CC(C)(C)OC(=O)N1C(=O)C2CCC1CC2 ZINC000498051082 385388887 /nfs/dbraw/zinc/38/88/87/385388887.db2.gz MFDABLWVOJYWGI-UHFFFAOYSA-N 0 0 225.288 2.323 10 0 BEAERN COC[C@H](C)C(=O)NCCc1cc(C)cc(C)c1 ZINC000131544767 385342130 /nfs/dbraw/zinc/34/21/30/385342130.db2.gz YQMOFQNRZWBVLF-ZDUSSCGKSA-N 0 0 249.354 2.245 10 0 BEAERN C[C@]12CCCN1C(=O)N(c1ccccc1F)C2=O ZINC000192400906 385356785 /nfs/dbraw/zinc/35/67/85/385356785.db2.gz QDLVUOPLBUWILL-CYBMUJFWSA-N 0 0 248.257 2.147 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(OC)ccc1F ZINC000154437241 385328211 /nfs/dbraw/zinc/32/82/11/385328211.db2.gz MQHQLGLRZJOUJY-QMMMGPOBSA-N 0 0 241.262 2.055 10 0 BEAERN CCOCCNc1nccnc1C(C)C ZINC000309059212 385396253 /nfs/dbraw/zinc/39/62/53/385396253.db2.gz VQPUZFLTLJRSDC-UHFFFAOYSA-N 0 0 209.293 2.048 10 0 BEAERN CC(C)(C)CCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000301704877 385400747 /nfs/dbraw/zinc/40/07/47/385400747.db2.gz HROXVUBVPYJARW-NEPJUHHUSA-N 0 0 241.375 2.480 10 0 BEAERN CC(C)(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000301704880 385401089 /nfs/dbraw/zinc/40/10/89/385401089.db2.gz HROXVUBVPYJARW-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN CNc1nc(NC(C)C)nc2ccccc21 ZINC000169336104 385411814 /nfs/dbraw/zinc/41/18/14/385411814.db2.gz KUVHWYXTRNRFKD-UHFFFAOYSA-N 0 0 216.288 2.492 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)C[C@H](O)C(C)C)o1 ZINC000155926272 385422064 /nfs/dbraw/zinc/42/20/64/385422064.db2.gz INQPYZHRKBWMNF-MNOVXSKESA-N 0 0 239.315 2.172 10 0 BEAERN COC[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000170805874 385447658 /nfs/dbraw/zinc/44/76/58/385447658.db2.gz DWCNOZFUOYHPSM-DRZSPHRISA-N 0 0 248.326 2.082 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1cccc(F)c1 ZINC000170809167 385448106 /nfs/dbraw/zinc/44/81/06/385448106.db2.gz GPWXHELVIYIZFI-SKDRFNHKSA-N 0 0 236.290 2.376 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCCOc1ccccc1 ZINC000171066517 385465845 /nfs/dbraw/zinc/46/58/45/385465845.db2.gz HBYJULVYEOBBNQ-YPMHNXCESA-N 0 0 233.311 2.370 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000171074482 385468346 /nfs/dbraw/zinc/46/83/46/385468346.db2.gz MPKKWPNAUSIOTB-RNCFNFMXSA-N 0 0 215.296 2.314 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000171429603 385484667 /nfs/dbraw/zinc/48/46/67/385484667.db2.gz BTGMODMEJDSZJO-BDAKNGLRSA-N 0 0 227.329 2.208 10 0 BEAERN C[C@@H]1CC[C@H](c2nc(Br)no2)O1 ZINC000156571128 385459029 /nfs/dbraw/zinc/45/90/29/385459029.db2.gz JACCFKMZANURHU-RFZPGFLSSA-N 0 0 233.065 2.072 10 0 BEAERN CCCc1cc(NC(=O)CC2CC2)n[nH]1 ZINC000110850453 385499650 /nfs/dbraw/zinc/49/96/50/385499650.db2.gz DELKITXSJDLEIR-UHFFFAOYSA-N 0 0 207.277 2.101 10 0 BEAERN CN(Cc1nnc(C2CC2)n1C)c1ccccc1 ZINC000195008030 385544022 /nfs/dbraw/zinc/54/40/22/385544022.db2.gz KJSJHNLNPOMWEJ-UHFFFAOYSA-N 0 0 242.326 2.329 10 0 BEAERN COC(=O)CCCCCNC(=O)CCC1CC1 ZINC000115318713 385521894 /nfs/dbraw/zinc/52/18/94/385521894.db2.gz QCRCFFNTLJWICO-UHFFFAOYSA-N 0 0 241.331 2.026 10 0 BEAERN C[NH2+]Cc1sc(-c2ccco2)nc1C ZINC000054456642 385557106 /nfs/dbraw/zinc/55/71/06/385557106.db2.gz AECUJJAIBZROET-UHFFFAOYSA-N 0 0 208.286 2.431 10 0 BEAERN CNc1cc(OC)c(OC)cc1Cl ZINC000062796812 385563712 /nfs/dbraw/zinc/56/37/12/385563712.db2.gz VQBWWEVOHQKUFO-UHFFFAOYSA-N 0 0 201.653 2.399 10 0 BEAERN CO[C@@H](C)Cn1c2ccccc2nc1[C@H](C)O ZINC000181497212 385582001 /nfs/dbraw/zinc/58/20/01/385582001.db2.gz UUAPJAPYVSOKGP-UWVGGRQHSA-N 0 0 234.299 2.125 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000107727267 385582109 /nfs/dbraw/zinc/58/21/09/385582109.db2.gz JGMUEEPNFFRIKY-RYUDHWBXSA-N 0 0 242.363 2.099 10 0 BEAERN CCc1cccc(CC(=O)N[C@@H](C)CCOC)c1 ZINC000121324460 385627399 /nfs/dbraw/zinc/62/73/99/385627399.db2.gz RMMQOCIZRKVLBQ-LBPRGKRZSA-N 0 0 249.354 2.333 10 0 BEAERN CCOC(=O)N1CCNc2ccccc21 ZINC000204013863 385629477 /nfs/dbraw/zinc/62/94/77/385629477.db2.gz NTJRYJHPNXXRNQ-UHFFFAOYSA-N 0 0 206.245 2.075 10 0 BEAERN CC(C)CCCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000337343150 385609121 /nfs/dbraw/zinc/60/91/21/385609121.db2.gz XEZULBWESKOTAD-NWDGAFQWSA-N 0 0 242.363 2.289 10 0 BEAERN CCC[C@H](CC(C)C)C(=O)NCC1CC(O)C1 ZINC000307998810 385613725 /nfs/dbraw/zinc/61/37/25/385613725.db2.gz NHIPONUAACAXHZ-OTTFEQOBSA-N 0 0 241.375 2.336 10 0 BEAERN CN(C)CC(=O)c1ccc(Br)s1 ZINC000037333612 385638275 /nfs/dbraw/zinc/63/82/75/385638275.db2.gz QDUPHOOYDBTNFZ-UHFFFAOYSA-N 0 0 248.145 2.255 10 0 BEAERN CCOC(=O)c1c(OC)ccc(C)c1F ZINC000260026214 385650691 /nfs/dbraw/zinc/65/06/91/385650691.db2.gz KCILDKFBLJVNPA-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN CSCCC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000118295583 385653886 /nfs/dbraw/zinc/65/38/86/385653886.db2.gz LUQYVFUHJKLVNR-BDAKNGLRSA-N 0 0 233.402 2.092 10 0 BEAERN CCOC(=O)c1cc(OC)c(Cl)cc1O ZINC000260048244 385656946 /nfs/dbraw/zinc/65/69/46/385656946.db2.gz LRNXZUKHGZIAMD-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CCOC(=O)c1cc(F)c(F)c(F)c1OC ZINC000260065724 385662392 /nfs/dbraw/zinc/66/23/92/385662392.db2.gz MRHIUQSXPYNJNC-UHFFFAOYSA-N 0 0 234.173 2.289 10 0 BEAERN C[C@@H]1c2nc[nH]c2CCN1C(=O)OC(C)(C)C ZINC000253570493 385683158 /nfs/dbraw/zinc/68/31/58/385683158.db2.gz NRCVMRHBKHPTTN-MRVPVSSYSA-N 0 0 237.303 2.264 10 0 BEAERN CCN(CC)c1ccc([C@H](C)O)cc1N ZINC000253574543 385683222 /nfs/dbraw/zinc/68/32/22/385683222.db2.gz SSYBTBQIYKJUCN-VIFPVBQESA-N 0 0 208.305 2.168 10 0 BEAERN CCOC(=O)c1c(C)ccc(F)c1OC ZINC000260122045 385689955 /nfs/dbraw/zinc/68/99/55/385689955.db2.gz QANINQDPJBPIQH-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN Cc1noc([C@@H]2CCN(c3cccc(C)n3)C2)n1 ZINC000408456044 385691887 /nfs/dbraw/zinc/69/18/87/385691887.db2.gz FZUAAAWBJAZKBI-LLVKDONJSA-N 0 0 244.298 2.075 10 0 BEAERN OCc1cccc2nc(-c3ccccn3)oc21 ZINC000211734409 385692261 /nfs/dbraw/zinc/69/22/61/385692261.db2.gz PLQFYFCJDIGKLK-UHFFFAOYSA-N 0 0 226.235 2.382 10 0 BEAERN c1nc([C@H]2CCCCN2[C@H]2C=CCCC2)n[nH]1 ZINC000182694639 385695773 /nfs/dbraw/zinc/69/57/73/385695773.db2.gz RTPJCMUFWGKKPA-NWDGAFQWSA-N 0 0 232.331 2.440 10 0 BEAERN C[C@]1(O)CC=CC(=O)[C@@H]1C(=O)c1ccccc1 ZINC000211852237 385698784 /nfs/dbraw/zinc/69/87/84/385698784.db2.gz KUYXUKKXBUWTRS-OCCSQVGLSA-N 0 0 230.263 2.248 10 0 BEAERN C=C/C(=C\C)CN1c2ccc(C)cc2[C@H](N)C1=O ZINC000211939503 385701397 /nfs/dbraw/zinc/70/13/97/385701397.db2.gz MIFLFPLBPIWQIP-GJIAFCOMSA-N 0 0 242.322 2.474 10 0 BEAERN O=C([O-])[C@H]1C[NH2+][C@H](CC2CC2)C12CCCCC2 ZINC000211933749 385701806 /nfs/dbraw/zinc/70/18/06/385701806.db2.gz RHBXCFNALCPLHO-VXGBXAGGSA-N 0 0 237.343 2.410 10 0 BEAERN Cc1ccnc(NCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000281826229 385704570 /nfs/dbraw/zinc/70/45/70/385704570.db2.gz KHLCVYNZUOUDNV-GHMZBOCLSA-N 0 0 235.331 2.401 10 0 BEAERN COc1ccc([C@@H]2CCN(C(C)=O)CCO2)cc1 ZINC000616594250 385706797 /nfs/dbraw/zinc/70/67/97/385706797.db2.gz OUBPHPBHAWUKHP-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)[C@H]1COc2ccccc21 ZINC000113056268 385667387 /nfs/dbraw/zinc/66/73/87/385667387.db2.gz GQYJMYGFNXSPCP-GWCFXTLKSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@H](CC1CC1)NC(=O)[C@@H]1COc2ccccc21 ZINC000113056264 385667410 /nfs/dbraw/zinc/66/74/10/385667410.db2.gz GQYJMYGFNXSPCP-ZWNOBZJWSA-N 0 0 245.322 2.467 10 0 BEAERN Cc1cnc(NC[C@@H]2CCC[C@@H]2O)s1 ZINC000307247175 385669202 /nfs/dbraw/zinc/66/92/02/385669202.db2.gz ZNAFUFZCQKCQJV-IUCAKERBSA-N 0 0 212.318 2.024 10 0 BEAERN COC(=O)c1cc(OC)cc(F)c1Cl ZINC000260096352 385671004 /nfs/dbraw/zinc/67/10/04/385671004.db2.gz RCEITZNJZXARMX-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN COC(=O)Cc1cc(F)cc(OC)c1Cl ZINC000260199709 385749007 /nfs/dbraw/zinc/74/90/07/385749007.db2.gz RQIVWSFNKVNLMX-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN Cc1cnc(NCC2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000281973443 385719379 /nfs/dbraw/zinc/71/93/79/385719379.db2.gz VIXOODDMVCXPJE-GHMZBOCLSA-N 0 0 235.331 2.401 10 0 BEAERN Cc1nnc2n(-c3ccccc3)[nH]c(C)c1-2 ZINC000216052782 385856824 /nfs/dbraw/zinc/85/68/24/385856824.db2.gz HCZQRKFSDUSOFR-UHFFFAOYSA-N 0 0 212.256 2.365 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(OC)c1O ZINC000231694754 385814635 /nfs/dbraw/zinc/81/46/35/385814635.db2.gz NHBTYNXOQMHLBQ-ONGXEEELSA-N 0 0 249.310 2.319 10 0 BEAERN CCN(C)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000365852732 385827569 /nfs/dbraw/zinc/82/75/69/385827569.db2.gz CIWQFGWKGXJGOC-GHMZBOCLSA-N 0 0 210.321 2.323 10 0 BEAERN Cc1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000408224167 385829705 /nfs/dbraw/zinc/82/97/05/385829705.db2.gz DQGKRSVUKUOHNK-UHFFFAOYSA-N 0 0 230.271 2.040 10 0 BEAERN Cc1nnc([C@@H](C)Nc2ccccn2)s1 ZINC000273552245 385842752 /nfs/dbraw/zinc/84/27/52/385842752.db2.gz ZBSNBCDBDAQKEG-SSDOTTSWSA-N 0 0 220.301 2.415 10 0 BEAERN O=C1COC[C@@H]1Cc1ccsc1Cl ZINC000575532384 385883743 /nfs/dbraw/zinc/88/37/43/385883743.db2.gz YMEHSQZYSAZLMS-ZETCQYMHSA-N 0 0 216.689 2.160 10 0 BEAERN COC(=O)c1ccc2[nH]cc(Cl)c2n1 ZINC000044712884 385895961 /nfs/dbraw/zinc/89/59/61/385895961.db2.gz ABFXVHXUEKWWBD-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN CCCC1N=NC(=S)N1C1(C)CCC1 ZINC000228892917 385904867 /nfs/dbraw/zinc/90/48/67/385904867.db2.gz DGTOQPFMYIIVHM-UHFFFAOYSA-N 0 0 211.334 2.418 10 0 BEAERN CC1CCC(O)(C(=O)c2ccc[nH]2)CC1 ZINC000307095818 385904997 /nfs/dbraw/zinc/90/49/97/385904997.db2.gz GXZCPRUHEIBMFI-UHFFFAOYSA-N 0 0 207.273 2.139 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@@H](C)C[C@H](O)C2)c1 ZINC000334506972 385924464 /nfs/dbraw/zinc/92/44/64/385924464.db2.gz LLJHMJHTTWXBBC-AAEUAGOBSA-N 0 0 248.326 2.230 10 0 BEAERN O=C1COC[C@H]1c1sccc1Cl ZINC000575530366 385864413 /nfs/dbraw/zinc/86/44/13/385864413.db2.gz IJLOAYACXBSAFW-RXMQYKEDSA-N 0 0 202.662 2.084 10 0 BEAERN O=C1COC[C@H]1c1ccc(Cl)s1 ZINC000575531311 385870126 /nfs/dbraw/zinc/87/01/26/385870126.db2.gz NULOXRSAAOQTHE-RXMQYKEDSA-N 0 0 202.662 2.084 10 0 BEAERN CC(=Cc1c[nH]c2ncccc12)[N+](=O)[O-] ZINC000221077626 385978747 /nfs/dbraw/zinc/97/87/47/385978747.db2.gz IXOUNLVHOARAIX-ALCCZGGFSA-N 0 0 203.201 2.200 10 0 BEAERN C[N@H+](Cc1oncc1C(=O)[O-])C1CCCCC1 ZINC000077055640 385993042 /nfs/dbraw/zinc/99/30/42/385993042.db2.gz LNOLMNMFEKOABV-UHFFFAOYSA-N 0 0 238.287 2.137 10 0 BEAERN CC1(C)CSC[C@](O)(c2ccsn2)C1 ZINC000307658296 385965959 /nfs/dbraw/zinc/96/59/59/385965959.db2.gz BCDNOPPMFJWIBK-JTQLQIEISA-N 0 0 229.370 2.494 10 0 BEAERN COC(=O)c1[nH]c(-c2ccccc2)cc1N ZINC000073665593 385998092 /nfs/dbraw/zinc/99/80/92/385998092.db2.gz DIEIEARJYBCZDU-UHFFFAOYSA-N 0 0 216.240 2.051 10 0 BEAERN COC(=O)Cc1cc(Cl)c(F)cc1OC ZINC000261058711 386002608 /nfs/dbraw/zinc/00/26/08/386002608.db2.gz LUSGRTPXDOQGSC-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN CCCc1nsc(N[C@H]2CCC[C@@H](O)C2)n1 ZINC000309454825 386013573 /nfs/dbraw/zinc/01/35/73/386013573.db2.gz MBIAZWYNRCCHSI-DTWKUNHWSA-N 0 0 241.360 2.206 10 0 BEAERN COC(=O)Cc1cc(C)cc(Cl)c1O ZINC000261219345 386014771 /nfs/dbraw/zinc/01/47/71/386014771.db2.gz MLKKESIJGBGSNC-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN COC(=O)c1cc2cc(Cl)ncc2o1 ZINC000222479798 386046582 /nfs/dbraw/zinc/04/65/82/386046582.db2.gz RYGOBITWBBTURE-UHFFFAOYSA-N 0 0 211.604 2.268 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccon1 ZINC000408336747 386123381 /nfs/dbraw/zinc/12/33/81/386123381.db2.gz PSKFJRMYLCKESO-YUMQZZPRSA-N 0 0 244.241 2.287 10 0 BEAERN C[C@@H]1CC[C@@H](c2nc(-c3ccncc3)no2)O1 ZINC000129415607 386122058 /nfs/dbraw/zinc/12/20/58/386122058.db2.gz ZCGSKCPJBVXBHS-SCZZXKLOSA-N 0 0 231.255 2.372 10 0 BEAERN Oc1ccc(COCCF)c2cccnc12 ZINC000606304035 386073606 /nfs/dbraw/zinc/07/36/06/386073606.db2.gz MKURUAQYSQMFOK-UHFFFAOYSA-N 0 0 221.231 2.427 10 0 BEAERN CCOC(=O)C1C[C@H]2CC[C@@H](C1)C2F ZINC000606304356 386078943 /nfs/dbraw/zinc/07/89/43/386078943.db2.gz XFRMSBLRGRIHAQ-BQKDNTBBSA-N 0 0 200.253 2.324 10 0 BEAERN Cn1cccc1C(=O)CN1C[C@H]2CCCCC[C@H]21 ZINC000366100292 386080871 /nfs/dbraw/zinc/08/08/71/386080871.db2.gz YEECOEKJVDVLDL-CHWSQXEVSA-N 0 0 246.354 2.472 10 0 BEAERN O=C(c1cccc(O)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000334446233 386080984 /nfs/dbraw/zinc/08/09/84/386080984.db2.gz PFRBWTMCTSMELV-JQWIXIFHSA-N 0 0 217.268 2.017 10 0 BEAERN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C ZINC000345267205 386086365 /nfs/dbraw/zinc/08/63/65/386086365.db2.gz PISDMZRPYAPELN-VOAKCMCISA-N 0 0 239.359 2.185 10 0 BEAERN CC[C@H](SC)C(=O)N[C@H](C)C(C)C ZINC000124542208 386089942 /nfs/dbraw/zinc/08/99/42/386089942.db2.gz QDPFQGYQNNBANG-BDAKNGLRSA-N 0 0 203.351 2.289 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccon1 ZINC000408336743 386123038 /nfs/dbraw/zinc/12/30/38/386123038.db2.gz PSKFJRMYLCKESO-HTQZYQBOSA-N 0 0 244.241 2.287 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)NCC1(C)CCCC1 ZINC000128812526 386150881 /nfs/dbraw/zinc/15/08/81/386150881.db2.gz IHSOIBQXRGVOGZ-GHMZBOCLSA-N 0 0 240.347 2.043 10 0 BEAERN CCC[C@@H](O)Cc1nc([C@H]2CC23CC3)no1 ZINC000351293764 386184557 /nfs/dbraw/zinc/18/45/57/386184557.db2.gz UMHWVUIJZGCQTG-RKDXNWHRSA-N 0 0 222.288 2.041 10 0 BEAERN Nc1cc(F)cnc1OCc1ccccc1 ZINC000307182272 386131259 /nfs/dbraw/zinc/13/12/59/386131259.db2.gz NWDSSOXRBHMBCA-UHFFFAOYSA-N 0 0 218.231 2.382 10 0 BEAERN O=C(c1ccc(F)cc1Cl)N1CCCO1 ZINC000125343185 386249641 /nfs/dbraw/zinc/24/96/41/386249641.db2.gz WNSGLXSNQJLTOI-UHFFFAOYSA-N 0 0 229.638 2.257 10 0 BEAERN C[C@@H](CF)Nc1ncc(N)cc1Br ZINC000575582504 386255212 /nfs/dbraw/zinc/25/52/12/386255212.db2.gz GCAPAQTXMYKSLU-YFKPBYRVSA-N 0 0 248.099 2.196 10 0 BEAERN Cc1ncc(-c2cn[nH]c(=S)c2)s1 ZINC000575576986 386195708 /nfs/dbraw/zinc/19/57/08/386195708.db2.gz AGKVWNVTOOEQTM-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC(=O)Nc1cncc(Br)c1Cl ZINC000129562048 386262602 /nfs/dbraw/zinc/26/26/02/386262602.db2.gz PDIPHJQMTXGLKW-UHFFFAOYSA-N 0 0 249.495 2.456 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1cc(Br)ccn1 ZINC000307761167 386345699 /nfs/dbraw/zinc/34/56/99/386345699.db2.gz YHRAEWKBCXYYLS-NKWVEPMBSA-N 0 0 245.120 2.025 10 0 BEAERN CC(C)COCCNc1ccc2nccnc2n1 ZINC000133818765 386378955 /nfs/dbraw/zinc/37/89/55/386378955.db2.gz PHMMORADZUEZRO-UHFFFAOYSA-N 0 0 246.314 2.109 10 0 BEAERN CN=[S@](C)(=O)c1ccc(F)cc1F ZINC000521399857 386437575 /nfs/dbraw/zinc/43/75/75/386437575.db2.gz UQALSFKUTXYGPC-CYBMUJFWSA-N 0 0 205.229 2.051 10 0 BEAERN CC(C)c1ccccc1[C@H]1COCC1=O ZINC000521400430 386446736 /nfs/dbraw/zinc/44/67/36/386446736.db2.gz MHHXDPULIWVVGF-GFCCVEGCSA-N 0 0 204.269 2.493 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1ccncc1Cl ZINC000399197540 386447445 /nfs/dbraw/zinc/44/74/45/386447445.db2.gz BFVBZPFIMJODMO-ONGXEEELSA-N 0 0 240.734 2.080 10 0 BEAERN Cn1c(Cl)ncc1[C@H](O)C(C)(C)C ZINC000575599699 386398893 /nfs/dbraw/zinc/39/88/93/386398893.db2.gz SXAULMBVPVLBLZ-ZETCQYMHSA-N 0 0 202.685 2.153 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCS[C@H]1C ZINC000645399875 386409027 /nfs/dbraw/zinc/40/90/27/386409027.db2.gz XISJHYWXDMZPKH-UWVGGRQHSA-N 0 0 237.372 2.328 10 0 BEAERN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CO ZINC000521399789 386434708 /nfs/dbraw/zinc/43/47/08/386434708.db2.gz REZRWJHXGJTUIK-JTQLQIEISA-N 0 0 243.347 2.404 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)CCC1CCCC1 ZINC000399179953 386436548 /nfs/dbraw/zinc/43/65/48/386436548.db2.gz JLKIXHPRQNDGGT-AAEUAGOBSA-N 0 0 239.359 2.329 10 0 BEAERN Nc1ncc2cc(OC(F)(F)F)ccc2n1 ZINC000299889796 386498192 /nfs/dbraw/zinc/49/81/92/386498192.db2.gz OVUMKFVBEGSJFN-UHFFFAOYSA-N 0 0 229.161 2.111 10 0 BEAERN Nc1noc2c1cccc2OC(F)(F)F ZINC000299890074 386498358 /nfs/dbraw/zinc/49/83/58/386498358.db2.gz TWLSZONSXDQLFD-UHFFFAOYSA-N 0 0 218.134 2.309 10 0 BEAERN C[C@H](NC(=O)NC1CCCCC1)[C@@H]1CCOC1 ZINC000135303807 386498804 /nfs/dbraw/zinc/49/88/04/386498804.db2.gz UYSALJLUOAJPJU-WDEREUQCSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1cnc([C@@H](C)n2cccc2C=O)o1 ZINC000231755830 386519356 /nfs/dbraw/zinc/51/93/56/386519356.db2.gz CMMGRKVNSKMUGR-SECBINFHSA-N 0 0 204.229 2.206 10 0 BEAERN Cc1nc(=N[C@@H](C)c2csc(C)n2)s[n-]1 ZINC000336754921 386524504 /nfs/dbraw/zinc/52/45/04/386524504.db2.gz IQSFKRSDOKXTPV-YFKPBYRVSA-N 0 0 240.357 2.206 10 0 BEAERN CC1([C@@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F)CC1 ZINC000521401164 386455033 /nfs/dbraw/zinc/45/50/33/386455033.db2.gz GEEMPKQPMBVBLZ-RQJHMYQMSA-N 0 0 239.237 2.157 10 0 BEAERN CC(C)(C)[C@@H]([NH3+])C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000521401771 386462116 /nfs/dbraw/zinc/46/21/16/386462116.db2.gz OXOSSQSXIJTZSH-BQBZGAKWSA-N 0 0 241.253 2.403 10 0 BEAERN Cc1cc(O)cc2c1C(C)(C)CC(=O)O2 ZINC000521401826 386462699 /nfs/dbraw/zinc/46/26/99/386462699.db2.gz QSWKFENKDBIZCD-UHFFFAOYSA-N 0 0 206.241 2.287 10 0 BEAERN CC(=O)c1cc(O)cc2c1C(C)(C)CC(=O)O2 ZINC000521402072 386465434 /nfs/dbraw/zinc/46/54/34/386465434.db2.gz YJPLVJHOWXKGDJ-UHFFFAOYSA-N 0 0 234.251 2.182 10 0 BEAERN CCOc1c(C#N)ccc(CC)c1C=O ZINC000575642771 386580420 /nfs/dbraw/zinc/58/04/20/386580420.db2.gz INHORLHFHSVRPY-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Nc1ccc(C(F)(F)F)c(CC2COC2)c1 ZINC000238857294 386537576 /nfs/dbraw/zinc/53/75/76/386537576.db2.gz YRLNIKIBRFUFGR-UHFFFAOYSA-N 0 0 231.217 2.477 10 0 BEAERN Cc1cc(CO)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575638781 386556148 /nfs/dbraw/zinc/55/61/48/386556148.db2.gz URRDFKLUGVBQRR-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1CO ZINC000575639166 386561750 /nfs/dbraw/zinc/56/17/50/386561750.db2.gz XHIICEILHZLGAA-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COc1cc(C(C)=O)c(OC(F)F)cc1C#N ZINC000575639921 386564400 /nfs/dbraw/zinc/56/44/00/386564400.db2.gz KSSYDHKOIUERLU-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(C#N)c(F)c(OC(F)F)c1 ZINC000575640268 386565059 /nfs/dbraw/zinc/56/50/59/386565059.db2.gz MXUHHLMLTOFIOM-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)Cc1cc(N)cc(C)c1C(F)(F)F ZINC000575640768 386571232 /nfs/dbraw/zinc/57/12/32/386571232.db2.gz OUOONHUGFNCTPN-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN C[C@@H](Nc1cc(N)ns1)C(C)(F)F ZINC000307429455 386650387 /nfs/dbraw/zinc/65/03/87/386650387.db2.gz UZJKSNRFLMOUQQ-SCSAIBSYSA-N 0 0 207.249 2.181 10 0 BEAERN C[C@@H]1C[C@H](NC(=O)C(C)(C)Br)[C@@H]1C ZINC000307397823 386608683 /nfs/dbraw/zinc/60/86/83/386608683.db2.gz RSNKODLVPFLLOX-PRJMDXOYSA-N 0 0 248.164 2.321 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1csc(Cl)n1 ZINC000296061720 386709721 /nfs/dbraw/zinc/70/97/21/386709721.db2.gz GEHPNYQHXNYFMI-IONNQARKSA-N 0 0 246.763 2.142 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1csc(Cl)n1 ZINC000296061717 386708363 /nfs/dbraw/zinc/70/83/63/386708363.db2.gz GEHPNYQHXNYFMI-APPZFPTMSA-N 0 0 246.763 2.142 10 0 BEAERN CC(C)OCC(C)(C)Nc1ncccn1 ZINC000396393083 386735260 /nfs/dbraw/zinc/73/52/60/386735260.db2.gz TUCPGUQAFNLUQX-UHFFFAOYSA-N 0 0 209.293 2.092 10 0 BEAERN COc1c(C)cc(C(=O)COC(C)=O)cc1C ZINC000575358370 386737954 /nfs/dbraw/zinc/73/79/54/386737954.db2.gz YIFOSRXMQSWENK-UHFFFAOYSA-N 0 0 236.267 2.058 10 0 BEAERN Cc1cc(C(=O)C2(O)CCCCC2)sn1 ZINC000306698980 386723633 /nfs/dbraw/zinc/72/36/33/386723633.db2.gz DGPCZQFKUXYMRU-UHFFFAOYSA-N 0 0 225.313 2.329 10 0 BEAERN C[C@@H](CC(C)(C)C)C(=O)N1CC[C@H](CCO)C1 ZINC000357147217 386725934 /nfs/dbraw/zinc/72/59/34/386725934.db2.gz NSOUQJDTWCSCBW-NWDGAFQWSA-N 0 0 241.375 2.290 10 0 BEAERN CCC(C)(C)CNC(=O)[C@H]1CCCO[C@H]1C ZINC000192195881 386740806 /nfs/dbraw/zinc/74/08/06/386740806.db2.gz HSDIXAMJHHDGDG-QWRGUYRKSA-N 0 0 227.348 2.354 10 0 BEAERN CC(C)C(C)(C)CNC(=O)N[C@H]1CCO[C@@H]1C ZINC000408442838 386760171 /nfs/dbraw/zinc/76/01/71/386760171.db2.gz LPFDGDONIOJWBC-MNOVXSKESA-N 0 0 242.363 2.145 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000344854873 386763823 /nfs/dbraw/zinc/76/38/23/386763823.db2.gz RLJXPPZDSMNLME-NDBYEHHHSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H](CCCCO)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000398425341 386821617 /nfs/dbraw/zinc/82/16/17/386821617.db2.gz KRRBMOVFZOBKJW-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN O=C(c1nc(Cl)ccc1Cl)N1CCCO1 ZINC000125334264 386797495 /nfs/dbraw/zinc/79/74/95/386797495.db2.gz MEXDKGLGASJKNP-UHFFFAOYSA-N 0 0 247.081 2.166 10 0 BEAERN CCOC(=O)c1c(C)cncc1OC(F)(F)F ZINC000575375215 386799809 /nfs/dbraw/zinc/79/98/09/386799809.db2.gz ZUSWKRHMKOULNN-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCOC(=O)c1cc(C)c(OC(F)(F)F)cn1 ZINC000575374960 386800432 /nfs/dbraw/zinc/80/04/32/386800432.db2.gz CGWVBSUDZXFUKE-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCOC(=O)c1c(C)ccnc1OC(F)(F)F ZINC000575375189 386800505 /nfs/dbraw/zinc/80/05/05/386800505.db2.gz VUWLTLSJXJVYJD-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN CCOC(=O)c1ccnc(OC(F)(F)F)c1C ZINC000575375077 386800608 /nfs/dbraw/zinc/80/06/08/386800608.db2.gz KTPJJUMUVABHIE-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN Cn1cnc(-c2nc(Br)cs2)c1 ZINC000575451805 386807341 /nfs/dbraw/zinc/80/73/41/386807341.db2.gz UHBBZGBYUFXLFZ-UHFFFAOYSA-N 0 0 244.117 2.306 10 0 BEAERN Cn1cncc1-c1cccc(Br)n1 ZINC000575453372 386811287 /nfs/dbraw/zinc/81/12/87/386811287.db2.gz GQHKUCQXJFXWHP-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN Brc1ccc(-c2ccns2)nn1 ZINC000575454396 386829314 /nfs/dbraw/zinc/82/93/14/386829314.db2.gz XKDFVZDNGKXNIO-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Cc1cc(C)nc(NC[C@H](O)C2CCCC2)n1 ZINC000301302000 386833317 /nfs/dbraw/zinc/83/33/17/386833317.db2.gz VTKLSWLNYNPOFL-LBPRGKRZSA-N 0 0 235.331 2.056 10 0 BEAERN Fc1cncc(NCc2ccccc2)n1 ZINC000575453762 386839148 /nfs/dbraw/zinc/83/91/48/386839148.db2.gz DIJHUQJECPXXHU-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN O=C(c1cccc2ncccc21)N1CCCO1 ZINC000125416578 386841664 /nfs/dbraw/zinc/84/16/64/386841664.db2.gz JGTGZGJWIKGCGT-UHFFFAOYSA-N 0 0 228.251 2.012 10 0 BEAERN FC(F)n1ccnc1CN1C[C@@H]2CCC[C@H]21 ZINC000334789594 386854010 /nfs/dbraw/zinc/85/40/10/386854010.db2.gz ZIGSTZUYNMIMDE-DTWKUNHWSA-N 0 0 227.258 2.263 10 0 BEAERN c1nc2ncnc(N3CC[C@@H]4CCCC[C@H]43)c2[nH]1 ZINC000301569159 386855289 /nfs/dbraw/zinc/85/52/89/386855289.db2.gz LMNWUVDBNADKOW-VHSXEESVSA-N 0 0 243.314 2.122 10 0 BEAERN CCONC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114515494 386874710 /nfs/dbraw/zinc/87/47/10/386874710.db2.gz CEGBJWKNEQYDNE-ZDUSSCGKSA-N 0 0 238.331 2.470 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2nc(C)cc(C)n2)C1 ZINC000301773592 386877315 /nfs/dbraw/zinc/87/73/15/386877315.db2.gz KIJLHBHYSNOXBW-NEPJUHHUSA-N 0 0 235.331 2.463 10 0 BEAERN Cc1n[nH]c(C)c1CNc1ncc(C)c(C)n1 ZINC000301858872 386887717 /nfs/dbraw/zinc/88/77/17/386887717.db2.gz DWXRVEWJFLUXHL-UHFFFAOYSA-N 0 0 231.303 2.045 10 0 BEAERN O=C([C@@H]1CCc2ccccc21)N1CC[C@@H](F)C1 ZINC000334842382 386887951 /nfs/dbraw/zinc/88/79/51/386887951.db2.gz SCVBRBOJQZEAGF-DGCLKSJQSA-N 0 0 233.286 2.287 10 0 BEAERN O=C(c1cnccn1)N1CCC[C@H]1c1ccco1 ZINC000116042387 386910744 /nfs/dbraw/zinc/91/07/44/386910744.db2.gz SATOAJSXXJAJSD-NSHDSACASA-N 0 0 243.266 2.047 10 0 BEAERN O=C([C@@H]1CCCOC1)N1CCC[C@@H]1c1ccco1 ZINC000116047252 386911983 /nfs/dbraw/zinc/91/19/83/386911983.db2.gz HYYCRKMKBHUIDE-VXGBXAGGSA-N 0 0 249.310 2.370 10 0 BEAERN Cc1cc(N[C@@H]2CCC[C@@H]2CCO)nnc1C ZINC000302492146 386924924 /nfs/dbraw/zinc/92/49/24/386924924.db2.gz ZJIGMRZNPRKIOD-VXGBXAGGSA-N 0 0 235.331 2.056 10 0 BEAERN CC[C@H](OC)c1noc([C@H]2C[C@]23CCOC3)n1 ZINC000329563190 386935779 /nfs/dbraw/zinc/93/57/79/386935779.db2.gz GRTZUXXLJYGBFL-PTRXPTGYSA-N 0 0 238.287 2.061 10 0 BEAERN CC[C@H](OC)c1noc([C@H]2C[C@@]23CCOC3)n1 ZINC000329563193 386936666 /nfs/dbraw/zinc/93/66/66/386936666.db2.gz GRTZUXXLJYGBFL-VDDIYKPWSA-N 0 0 238.287 2.061 10 0 BEAERN CCC[C@@]1(COC)CCCN1c1ncccn1 ZINC000302833168 386938566 /nfs/dbraw/zinc/93/85/66/386938566.db2.gz SBOJFNSTYQGHPZ-ZDUSSCGKSA-N 0 0 235.331 2.262 10 0 BEAERN CCC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000334877182 386939613 /nfs/dbraw/zinc/93/96/13/386939613.db2.gz QOYSAAGJZPHOLT-NEPJUHHUSA-N 0 0 237.343 2.347 10 0 BEAERN Cc1nccnc1NC(=O)OC(C)(C)C ZINC000142391606 386993423 /nfs/dbraw/zinc/99/34/23/386993423.db2.gz VOHLVORMONMYLO-UHFFFAOYSA-N 0 0 209.249 2.132 10 0 BEAERN O=C1OCC[C@@H]1N1CC=C(c2cccs2)CC1 ZINC000117894465 387031322 /nfs/dbraw/zinc/03/13/22/387031322.db2.gz KSRYMTZONDYDPI-NSHDSACASA-N 0 0 249.335 2.153 10 0 BEAERN Clc1cncc([C@@H]2NCCS2)c1 ZINC000575461626 387032148 /nfs/dbraw/zinc/03/21/48/387032148.db2.gz VKTNLGZZCZVXAM-MRVPVSSYSA-N 0 0 200.694 2.070 10 0 BEAERN Cn1ncc(NC[Si](C)(C)C)c1Cl ZINC000575459217 387035322 /nfs/dbraw/zinc/03/53/22/387035322.db2.gz IPCAYYDAKMCAJI-UHFFFAOYSA-N 0 0 217.776 2.363 10 0 BEAERN Fc1ncnc(Cl)c1Br ZINC000575459448 387035947 /nfs/dbraw/zinc/03/59/47/387035947.db2.gz JKAXUOASKGSMDL-UHFFFAOYSA-N 0 0 211.421 2.032 10 0 BEAERN O=S(=O)(C1CCCCC1)N1C[C@@H]2CCC[C@H]21 ZINC000334957040 387036390 /nfs/dbraw/zinc/03/63/90/387036390.db2.gz KWWHBPZLSHJMRO-CMPLNLGQSA-N 0 0 243.372 2.133 10 0 BEAERN Nc1ccc([C@H](O)C2CC2)cc1Br ZINC000575460430 387037734 /nfs/dbraw/zinc/03/77/34/387037734.db2.gz PIGKPMYYSLQAQO-SNVBAGLBSA-N 0 0 242.116 2.475 10 0 BEAERN CCOc1cc(C=O)cc(O)c1OC(F)F ZINC000575655706 387039049 /nfs/dbraw/zinc/03/90/49/387039049.db2.gz HLZKWJXGHJMAAH-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(OC(F)F)cc(O)c1OC ZINC000575655346 387039870 /nfs/dbraw/zinc/03/98/70/387039870.db2.gz CMBAOAKXBJFKQG-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1cc(F)c(CO)c(OC(F)F)c1 ZINC000575655832 387040752 /nfs/dbraw/zinc/04/07/52/387040752.db2.gz NBMUMWNXJGYZMG-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN Cc1ncsc1-c1cc[nH]c(=S)n1 ZINC000575577957 387041636 /nfs/dbraw/zinc/04/16/36/387041636.db2.gz RQQIYUZTDDFKFF-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CCOc1c(O)c(OC)ccc1OC(F)F ZINC000575657831 387044528 /nfs/dbraw/zinc/04/45/28/387044528.db2.gz WHARHTDQAHQURC-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCc1cc(CO)cc(OC)c1OC(F)F ZINC000575658214 387045404 /nfs/dbraw/zinc/04/54/04/387045404.db2.gz QQKPVIVEHAFKHE-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCc1cc(OC)c(OC(F)F)cc1CO ZINC000575658394 387047378 /nfs/dbraw/zinc/04/73/78/387047378.db2.gz SPXYWQRFVPGWGP-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000034332971 387048747 /nfs/dbraw/zinc/04/87/47/387048747.db2.gz CVFFSNDOBXFEKR-UHFFFAOYSA-N 0 0 245.673 2.256 10 0 BEAERN COc1cc(F)c(C=O)cc1OC(F)F ZINC000575660636 387052504 /nfs/dbraw/zinc/05/25/04/387052504.db2.gz VPAIXSRLVOLRQM-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C[C@H]1C[C@@]1(C)Nc1ccncc1Br ZINC000575580873 387053709 /nfs/dbraw/zinc/05/37/09/387053709.db2.gz ZKHURPLKSRYMSB-OIBJUYFYSA-N 0 0 241.132 2.476 10 0 BEAERN COc1c(CNc2cncc(C)c2)c(C)nn1C ZINC000227603388 387056855 /nfs/dbraw/zinc/05/68/55/387056855.db2.gz PARWDOYEOYSNRT-UHFFFAOYSA-N 0 0 246.314 2.053 10 0 BEAERN COC(=O)c1c(Cl)nccc1C1CC1 ZINC000575434261 387058532 /nfs/dbraw/zinc/05/85/32/387058532.db2.gz YEDWMKBFIZPAJZ-UHFFFAOYSA-N 0 0 211.648 2.399 10 0 BEAERN C[C@H](CF)Nc1cc(N)cc(Cl)n1 ZINC000575581890 387058752 /nfs/dbraw/zinc/05/87/52/387058752.db2.gz ADIVDRPLOICZJC-RXMQYKEDSA-N 0 0 203.648 2.087 10 0 BEAERN CCC(F)(F)CN1CCC[C@H]1CCCO ZINC000639469952 387015424 /nfs/dbraw/zinc/01/54/24/387015424.db2.gz CYMKQMODPVJKBX-JTQLQIEISA-N 0 0 221.291 2.269 10 0 BEAERN O=C1Cc2cc(F)c(Br)c(F)c2N1 ZINC000575576540 387029411 /nfs/dbraw/zinc/02/94/11/387029411.db2.gz JAEULDPDKNQAAC-UHFFFAOYSA-N 0 0 248.026 2.222 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000424865931 387078054 /nfs/dbraw/zinc/07/80/54/387078054.db2.gz NBAHEQSNICFMGF-MROQNXINSA-N 0 0 239.359 2.185 10 0 BEAERN Brc1nnc(-c2ccsn2)s1 ZINC000575466752 387081783 /nfs/dbraw/zinc/08/17/83/387081783.db2.gz KKHNCLQWOICWFK-UHFFFAOYSA-N 0 0 248.130 2.424 10 0 BEAERN CCc1cc(NC(=O)C2(O)CCC2)ccc1C ZINC000119067464 387091767 /nfs/dbraw/zinc/09/17/67/387091767.db2.gz DLWBEIBRWGWGGC-UHFFFAOYSA-N 0 0 233.311 2.411 10 0 BEAERN CCOCCNC(=O)N1CCCCC[C@H]1CC ZINC000119182025 387103553 /nfs/dbraw/zinc/10/35/53/387103553.db2.gz KTIFQCOJWADWJB-GFCCVEGCSA-N 0 0 242.363 2.387 10 0 BEAERN CC(=O)c1cc(O)c(OC(F)F)c(C=O)c1 ZINC000575661857 387104123 /nfs/dbraw/zinc/10/41/23/387104123.db2.gz SAVDUVNFWFOJSB-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN CCOc1cc(NCCCCSC)ncn1 ZINC000119190723 387104600 /nfs/dbraw/zinc/10/46/00/387104600.db2.gz NLRHSCFJKSQYDA-UHFFFAOYSA-N 0 0 241.360 2.430 10 0 BEAERN CN(C[C@H]1CCCO1)C(=O)C(C1CC1)C1CC1 ZINC000119190876 387105312 /nfs/dbraw/zinc/10/53/12/387105312.db2.gz UYSKGEWLPVFDJR-GFCCVEGCSA-N 0 0 237.343 2.060 10 0 BEAERN Cc1noc(C)c1CC(=O)N[C@H](C)CC1CC1 ZINC000112601512 387107194 /nfs/dbraw/zinc/10/71/94/387107194.db2.gz SASVAQSVENXVIM-MRVPVSSYSA-N 0 0 236.315 2.139 10 0 BEAERN CC(F)(F)Cn1ccc(Br)n1 ZINC000575471554 387108368 /nfs/dbraw/zinc/10/83/68/387108368.db2.gz OKCVZFIKIIBOLC-UHFFFAOYSA-N 0 0 225.036 2.301 10 0 BEAERN [NH3+][C@H](CC(F)F)c1ccc(C(=O)[O-])cc1 ZINC000575437592 387109125 /nfs/dbraw/zinc/10/91/25/387109125.db2.gz IYQCCWJFMKBQQJ-MRVPVSSYSA-N 0 0 215.199 2.040 10 0 BEAERN C[C@H](NC(=O)N1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000071936864 387123148 /nfs/dbraw/zinc/12/31/48/387123148.db2.gz AQJIYFXQUCKCSB-SRVKXCTJSA-N 0 0 240.347 2.138 10 0 BEAERN CC(C)CC(=O)N1CCC(c2cnccn2)CC1 ZINC000072361272 387126345 /nfs/dbraw/zinc/12/63/45/387126345.db2.gz LFALDIDVPFMRCA-UHFFFAOYSA-N 0 0 247.342 2.229 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)N[C@@H]1CCO[C@H]1CC ZINC000333984364 387127908 /nfs/dbraw/zinc/12/79/08/387127908.db2.gz FMIKZJVJALVMGY-QCNOEVLYSA-N 0 0 240.347 2.042 10 0 BEAERN COc1c(C=O)c(OC(F)F)ccc1C(C)=O ZINC000575662219 387155692 /nfs/dbraw/zinc/15/56/92/387155692.db2.gz ZQKZEJYCNKIPNG-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)Cc1cc(C)n[nH]1 ZINC000120089898 387157733 /nfs/dbraw/zinc/15/77/33/387157733.db2.gz RQYQPNCOPRKKOC-ZDUSSCGKSA-N 0 0 249.358 2.442 10 0 BEAERN CC(=O)S[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000113016559 387158546 /nfs/dbraw/zinc/15/85/46/387158546.db2.gz KYLJPUGKGHFDOL-SECBINFHSA-N 0 0 245.344 2.276 10 0 BEAERN CC1(C)CCn2c(=O)cc(C(F)F)nc2C1 ZINC000536949511 387161249 /nfs/dbraw/zinc/16/12/49/387161249.db2.gz AJNRTMCREQGOOE-UHFFFAOYSA-N 0 0 228.242 2.153 10 0 BEAERN C[C@@H]1Cc2nc(-c3ccc(F)cc3)cc(=O)n2C1 ZINC000536950472 387161938 /nfs/dbraw/zinc/16/19/38/387161938.db2.gz IASLYAMHZHMBJT-SECBINFHSA-N 0 0 244.269 2.242 10 0 BEAERN CCS(=O)(CC)=Nc1ncccc1F ZINC000536950354 387162364 /nfs/dbraw/zinc/16/23/64/387162364.db2.gz HCENPFKBJTZTIL-UHFFFAOYSA-N 0 0 216.281 2.360 10 0 BEAERN CC[S@](C)(=O)=Nc1nccc(C)c1F ZINC000536951825 387163317 /nfs/dbraw/zinc/16/33/17/387163317.db2.gz XNDRMIVZLKOOOP-AWEZNQCLSA-N 0 0 216.281 2.278 10 0 BEAERN Cc1cccc([C@@H]2CNC(=O)C23CCC3)c1 ZINC000536951490 387163375 /nfs/dbraw/zinc/16/33/75/387163375.db2.gz RQWWKWBCRFJUGD-LBPRGKRZSA-N 0 0 215.296 2.379 10 0 BEAERN O=C1NC[C@@H](c2ccc(F)cc2)C12CCC2 ZINC000536951239 387163784 /nfs/dbraw/zinc/16/37/84/387163784.db2.gz OGHNFAXDCIETJV-NSHDSACASA-N 0 0 219.259 2.209 10 0 BEAERN C[C@@H]1CCc2nc(C(C)(C)C)cc(=O)n2C1 ZINC000536951664 387163906 /nfs/dbraw/zinc/16/39/06/387163906.db2.gz UPIYLVDIVNGRNO-SECBINFHSA-N 0 0 220.316 2.123 10 0 BEAERN CC[S@@](C)(=O)=Nc1ncccc1Cl ZINC000536951885 387164058 /nfs/dbraw/zinc/16/40/58/387164058.db2.gz YZDNCAQZXOFNIQ-CYBMUJFWSA-N 0 0 218.709 2.484 10 0 BEAERN O=C1CCCCN1c1cc(F)ccc1F ZINC000536951531 387164063 /nfs/dbraw/zinc/16/40/63/387164063.db2.gz VSSFWWCEZGWEEI-UHFFFAOYSA-N 0 0 211.211 2.482 10 0 BEAERN COc1ccc([C@@H]2CNC(=O)C23CCCC3)cc1 ZINC000536952384 387165678 /nfs/dbraw/zinc/16/56/78/387165678.db2.gz CQLVVDXQDZNDQI-ZDUSSCGKSA-N 0 0 245.322 2.469 10 0 BEAERN CCOC(=O)[C@@H](CC(=O)C(C)(C)CC)C(C)=O ZINC000536954917 387167432 /nfs/dbraw/zinc/16/74/32/387167432.db2.gz RONDEWWVFRYNBT-JTQLQIEISA-N 0 0 242.315 2.150 10 0 BEAERN C[C@H]1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536956550 387169346 /nfs/dbraw/zinc/16/93/46/387169346.db2.gz ZCPBBEOXWYLSRF-ZANVPECISA-N 0 0 236.315 2.431 10 0 BEAERN Cc1cccc([C@H]2CC[C@@H](CO)OC2)c1 ZINC000536957559 387171439 /nfs/dbraw/zinc/17/14/39/387171439.db2.gz HRHHQCXCBPPWBA-STQMWFEESA-N 0 0 206.285 2.250 10 0 BEAERN CC[C@@H](C)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000536957827 387171801 /nfs/dbraw/zinc/17/18/01/387171801.db2.gz HMWLFBIYEFOXTP-BXKDBHETSA-N 0 0 237.347 2.198 10 0 BEAERN Nc1cnc2c(Cl)nc3ccccc3n12 ZINC000575442449 387135223 /nfs/dbraw/zinc/13/52/23/387135223.db2.gz ZJAJCQSFVZIIJG-UHFFFAOYSA-N 0 0 218.647 2.118 10 0 BEAERN CCC(=O)Oc1c[nH]c2ccc(N)cc12 ZINC000575440562 387135730 /nfs/dbraw/zinc/13/57/30/387135730.db2.gz RPWBFPMYIBGVAR-UHFFFAOYSA-N 0 0 204.229 2.066 10 0 BEAERN CC1(C)CCC[C@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000229009146 387137073 /nfs/dbraw/zinc/13/70/73/387137073.db2.gz VVKWCJQLBBXPGL-NEPJUHHUSA-N 0 0 239.359 2.044 10 0 BEAERN Brc1cnc2c(c1)C1(CC1)CN2 ZINC000575441108 387137535 /nfs/dbraw/zinc/13/75/35/387137535.db2.gz ZDBQKBAMZLXWBY-UHFFFAOYSA-N 0 0 225.089 2.301 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)Nc2cnn(C)c2)o1 ZINC000076063335 387137944 /nfs/dbraw/zinc/13/79/44/387137944.db2.gz OZSAVZKHPUFVFO-VIFPVBQESA-N 0 0 248.286 2.204 10 0 BEAERN CCO[C@H]1C[C@H](Nc2cn(C)nc2C)C12CCC2 ZINC000187779525 387213540 /nfs/dbraw/zinc/21/35/40/387213540.db2.gz KRFIYDMUWPGDIQ-STQMWFEESA-N 0 0 249.358 2.488 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CCO ZINC000230169890 387239214 /nfs/dbraw/zinc/23/92/14/387239214.db2.gz IEIUKXJBWDOQTE-JHJVBQTASA-N 0 0 239.359 2.186 10 0 BEAERN CCC(CC)(CO)CNC(=O)[C@H]1CCC[C@H]1C ZINC000230175518 387239578 /nfs/dbraw/zinc/23/95/78/387239578.db2.gz NTZZXQMSGMDVAR-NEPJUHHUSA-N 0 0 241.375 2.338 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NC(C)(C)C(C)(C)O ZINC000230176348 387239965 /nfs/dbraw/zinc/23/99/65/387239965.db2.gz AJTPWJXFWHHQKM-NXEZZACHSA-N 0 0 227.348 2.088 10 0 BEAERN CCN(CC(C)(C)O)C(=O)[C@H]1CCC[C@H]1C ZINC000230173904 387240470 /nfs/dbraw/zinc/24/04/70/387240470.db2.gz VRBDTJGJGATODA-MNOVXSKESA-N 0 0 227.348 2.042 10 0 BEAERN O=C(NC[C@@H]1CCCSCC1)C(F)(F)F ZINC000575484076 387195234 /nfs/dbraw/zinc/19/52/34/387195234.db2.gz HODYHHMERZYJFK-SSDOTTSWSA-N 0 0 241.278 2.198 10 0 BEAERN Cc1cc(O)c(OC(F)F)cc1C=O ZINC000575662638 387200722 /nfs/dbraw/zinc/20/07/22/387200722.db2.gz FCZIYOWBCPPCIL-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)C(C)C ZINC000188165838 387257564 /nfs/dbraw/zinc/25/75/64/387257564.db2.gz VJCSJRUHJRHXSV-NWDGAFQWSA-N 0 0 244.379 2.079 10 0 BEAERN Cc1cc(O)c(OC(F)F)c(C=O)c1 ZINC000575663017 387269943 /nfs/dbraw/zinc/26/99/43/387269943.db2.gz OXQPQNXHGXAQOJ-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(O)cc(C(C)=O)c1OC(F)F ZINC000575663228 387270623 /nfs/dbraw/zinc/27/06/23/387270623.db2.gz UJBQUYGBNKMNHF-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN COc1cc(C)c(C=O)c(OC(F)F)c1 ZINC000575664118 387290913 /nfs/dbraw/zinc/29/09/13/387290913.db2.gz CANYEZJFAKBNDZ-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN C[C@@H](C1CC1)[N@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000121049555 387291207 /nfs/dbraw/zinc/29/12/07/387291207.db2.gz UHOOZJZYNQUKNT-XVKPBYJWSA-N 0 0 237.265 2.173 10 0 BEAERN COc1cc(CO)c(C)c(OC(F)F)c1 ZINC000575664463 387291564 /nfs/dbraw/zinc/29/15/64/387291564.db2.gz GCGOXOZPPZHAKK-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN C[C@@H]1CCN1c1cc(Cl)nc(Cl)n1 ZINC000575600062 387356682 /nfs/dbraw/zinc/35/66/82/387356682.db2.gz KYEHVNAPCSBRLM-RXMQYKEDSA-N 0 0 218.087 2.382 10 0 BEAERN Cc1nc(Br)cc(N2CC(C)C2)n1 ZINC000575600448 387356694 /nfs/dbraw/zinc/35/66/94/387356694.db2.gz XCIVJYULPWWNCS-UHFFFAOYSA-N 0 0 242.120 2.004 10 0 BEAERN Cc1nc(Cl)nc(N(C)Cc2ccccc2)n1 ZINC000575600301 387357599 /nfs/dbraw/zinc/35/75/99/387357599.db2.gz RMTQBLLIWTVVFN-UHFFFAOYSA-N 0 0 248.717 2.470 10 0 BEAERN COc1cc(C)cc(C(N)=O)c1C(F)(F)F ZINC000575675906 387357892 /nfs/dbraw/zinc/35/78/92/387357892.db2.gz ZMHFYSOCWRPGBA-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN OCc1c(O)ccc(Cl)c1Br ZINC000575676897 387359628 /nfs/dbraw/zinc/35/96/28/387359628.db2.gz WTJMURZACISFRM-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN FC1CC(COc2ccnc(Cl)n2)C1 ZINC000575601495 387360462 /nfs/dbraw/zinc/36/04/62/387360462.db2.gz CFAWICUWPUKGJF-UHFFFAOYSA-N 0 0 216.643 2.257 10 0 BEAERN COc1c(Br)cc(C=O)cc1C=O ZINC000575601608 387361186 /nfs/dbraw/zinc/36/11/86/387361186.db2.gz FNIZMWUQGZGRJS-UHFFFAOYSA-N 0 0 243.056 2.083 10 0 BEAERN O=c1[nH]c(=O)c2ccc(-c3ccccc3)nc2[nH]1 ZINC000575601666 387362369 /nfs/dbraw/zinc/36/23/69/387362369.db2.gz LTJOXILWFSPFLA-UHFFFAOYSA-N 0 0 239.234 2.103 10 0 BEAERN FC(F)Oc1c(Cl)ncnc1Cl ZINC000575601906 387368399 /nfs/dbraw/zinc/36/83/99/387368399.db2.gz RKGMDSFOYBKEIO-UHFFFAOYSA-N 0 0 214.986 2.385 10 0 BEAERN N=[S@@]1(=O)CCC[C@@H](C(F)(F)F)CC1 ZINC000575601752 387368520 /nfs/dbraw/zinc/36/85/20/387368520.db2.gz BYKKZKOKQYQLLH-CAAJLBCPSA-N 0 0 215.240 2.396 10 0 BEAERN CCc1cc(NC(=O)CCCSC)n(C)n1 ZINC000121509649 387374839 /nfs/dbraw/zinc/37/48/39/387374839.db2.gz FZSMIFUAFBSUBF-UHFFFAOYSA-N 0 0 241.360 2.064 10 0 BEAERN CCOCCOc1ccccc1C(=O)OCC ZINC000121550715 387378023 /nfs/dbraw/zinc/37/80/23/387378023.db2.gz OFHAFXVKVZRRNI-UHFFFAOYSA-N 0 0 238.283 2.279 10 0 BEAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000515435177 387380586 /nfs/dbraw/zinc/38/05/86/387380586.db2.gz ZESHMTXQZRBTGT-GHMZBOCLSA-N 0 0 207.321 2.305 10 0 BEAERN Cc1cc(CO)cc(C=O)c1C(F)F ZINC000575667480 387320015 /nfs/dbraw/zinc/32/00/15/387320015.db2.gz FQNVHQXYUDDDQK-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN CC[C@H](N[C@@H](C)c1csc(C)n1)C(=O)OC ZINC000303589598 387382489 /nfs/dbraw/zinc/38/24/89/387382489.db2.gz VMADDQYNGIVLPT-CBAPKCEASA-N 0 0 242.344 2.054 10 0 BEAERN Cc1cc(CO)c(C=O)c(C(F)F)c1 ZINC000575668831 387321244 /nfs/dbraw/zinc/32/12/44/387321244.db2.gz OKWMLWZFPJQEAV-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN O[C@H]1CC[C@H]1Nc1ccc(Br)cc1 ZINC000575594651 387324461 /nfs/dbraw/zinc/32/44/61/387324461.db2.gz LBCYZADYZHBGBU-ZJUUUORDSA-N 0 0 242.116 2.384 10 0 BEAERN O[C@H]1CC[C@@H]1Nc1cccc(Br)c1 ZINC000575595134 387327005 /nfs/dbraw/zinc/32/70/05/387327005.db2.gz VYMSCXQYBSLZFV-UWVGGRQHSA-N 0 0 242.116 2.384 10 0 BEAERN CC(=O)c1cc(O)c(C=O)c(C(F)F)c1 ZINC000575669642 387329881 /nfs/dbraw/zinc/32/98/81/387329881.db2.gz HCVPUBAIWBCABV-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN CC(=O)c1c(O)cc(C(F)F)cc1C=O ZINC000575669711 387331084 /nfs/dbraw/zinc/33/10/84/387331084.db2.gz KRBUHVQTHQRPPV-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN CCc1cc(CC)nc(N[C@@H]2CCO[C@@H]2C)n1 ZINC000286494195 387331413 /nfs/dbraw/zinc/33/14/13/387331413.db2.gz MNNNCCLKWOHLTB-BXKDBHETSA-N 0 0 235.331 2.191 10 0 BEAERN COc1cc(C)c(C(N)=O)cc1C(F)(F)F ZINC000575673130 387339866 /nfs/dbraw/zinc/33/98/66/387339866.db2.gz DEQVZMRMSBEHHU-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN CC(=O)N(C)c1cccc(NC(=O)C2(C)CC2)c1 ZINC000121342271 387341954 /nfs/dbraw/zinc/34/19/54/387341954.db2.gz VBFNTYOTNNGYEJ-UHFFFAOYSA-N 0 0 246.310 2.408 10 0 BEAERN COc1cc(C(F)(F)F)c(C)cc1C(N)=O ZINC000575674546 387343125 /nfs/dbraw/zinc/34/31/25/387343125.db2.gz RNAKBCOLXZGOCX-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN Cc1cnn(CCNC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000121446727 387350834 /nfs/dbraw/zinc/35/08/34/387350834.db2.gz IOOZPQNLXUFVOJ-AAEUAGOBSA-N 0 0 249.358 2.134 10 0 BEAERN COC[C@H](C)C(=O)N(C(C)C)C1CCC1 ZINC000121845746 387424455 /nfs/dbraw/zinc/42/44/55/387424455.db2.gz AFLNKOWAJUCCCQ-JTQLQIEISA-N 0 0 213.321 2.058 10 0 BEAERN COc1cc(N)c(OC(F)F)cc1C(C)=O ZINC000575717632 387436077 /nfs/dbraw/zinc/43/60/77/387436077.db2.gz UYNKUWXSHSHAGQ-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CCOC(=O)c1c(O)ccc(N)c1C(F)(F)F ZINC000575724377 387438503 /nfs/dbraw/zinc/43/85/03/387438503.db2.gz DGXHVOKZVJCBDJ-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Nc1ccc(Cl)c(Br)c1O ZINC000575719892 387440475 /nfs/dbraw/zinc/44/04/75/387440475.db2.gz OCLOWFRANKHPQO-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN C[C@@]1(C[C@H]2CSCC2=O)CC1(F)F ZINC000575522678 387442222 /nfs/dbraw/zinc/44/22/22/387442222.db2.gz BUDLPNRPSREPDT-POYBYMJQSA-N 0 0 206.257 2.354 10 0 BEAERN CCc1cc(N)c(OC(F)F)c(N)c1 ZINC000575720736 387442646 /nfs/dbraw/zinc/44/26/46/387442646.db2.gz SAYQVZGOQXIAIQ-UHFFFAOYSA-N 0 0 202.204 2.015 10 0 BEAERN Nc1c(Cl)cc(O)cc1OC(F)F ZINC000575721060 387443165 /nfs/dbraw/zinc/44/31/65/387443165.db2.gz VYERAFRWCQVUCH-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(Cl)c(O)cc1OC(F)F ZINC000575722274 387444848 /nfs/dbraw/zinc/44/48/48/387444848.db2.gz KGFVVFHGFSNYFD-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1cc(Cl)c(OC(F)F)cc1O ZINC000575722771 387445981 /nfs/dbraw/zinc/44/59/81/387445981.db2.gz TYNMWAICFLWYCK-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1c(N)c(O)ccc1Br ZINC000575723320 387446546 /nfs/dbraw/zinc/44/65/46/387446546.db2.gz VLIZXJQJUYARPM-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOC(=O)Cc1cc(C)c(N)cc1CC ZINC000575725376 387462017 /nfs/dbraw/zinc/46/20/17/387462017.db2.gz XMESFJZXHXEOME-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN CCOC(=O)Cc1cc(C)cc(N)c1OCC ZINC000575723295 387446754 /nfs/dbraw/zinc/44/67/54/387446754.db2.gz ABFOCBGYAZRFJH-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)c1cc(OCC)c(N)cc1C ZINC000575723869 387447225 /nfs/dbraw/zinc/44/72/25/387447225.db2.gz GSXDUKVOPVXXKQ-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)c1c(N)c(CC)ccc1OCC ZINC000575723938 387447445 /nfs/dbraw/zinc/44/74/45/387447445.db2.gz KPVDNEYSUUVPHF-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)Cc1cc(F)c(CC)cc1N ZINC000575723947 387447789 /nfs/dbraw/zinc/44/77/89/387447789.db2.gz LDYHQIQODBOKRO-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)c1cc(N)c(F)cc1CC ZINC000575723915 387448148 /nfs/dbraw/zinc/44/81/48/387448148.db2.gz IXCCBNYYZYYSAL-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1cc(CC)c(F)cc1N ZINC000575723865 387448184 /nfs/dbraw/zinc/44/81/84/387448184.db2.gz GKXDXQBZFQYIPY-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@@H](O)C(C)(C)C)o1 ZINC000304239728 387451099 /nfs/dbraw/zinc/45/10/99/387451099.db2.gz NKOKZLSTNMKODP-NXEZZACHSA-N 0 0 226.320 2.041 10 0 BEAERN CCOc1cc(OC)c(OC)cc1C(C)=O ZINC000575695068 387393829 /nfs/dbraw/zinc/39/38/29/387393829.db2.gz MQNNRFPWTZXVSH-UHFFFAOYSA-N 0 0 224.256 2.305 10 0 BEAERN CCc1c(C(N)=O)cc(C=O)cc1C(F)(F)F ZINC000575703554 387400201 /nfs/dbraw/zinc/40/02/01/387400201.db2.gz WNPGWSJMRJGBDU-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN CCc1c(C(F)(F)F)ccc(C=O)c1C(N)=O ZINC000575703729 387400792 /nfs/dbraw/zinc/40/07/92/387400792.db2.gz ZBXWTIWCLVBJGC-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN CCc1cc(C(N)=O)c(OC)c(C(F)(F)F)c1 ZINC000575704498 387402175 /nfs/dbraw/zinc/40/21/75/387402175.db2.gz WZYCJOZEVZCYSN-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN CCc1cc(SC)c(OC)cc1C(N)=O ZINC000575704531 387402238 /nfs/dbraw/zinc/40/22/38/387402238.db2.gz WLXHSIAKSVCRBY-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN CCOC(=O)Cc1cc(Cl)cc(O)c1F ZINC000575700447 387403342 /nfs/dbraw/zinc/40/33/42/387403342.db2.gz LAXDGHPTBLDUQF-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)c1cc(O)cc(Cl)c1OC ZINC000575701306 387405134 /nfs/dbraw/zinc/40/51/34/387405134.db2.gz UXZJKTWRSVBFRC-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CSc1c(O)c(F)ccc1C(C)=O ZINC000575702699 387406510 /nfs/dbraw/zinc/40/65/10/387406510.db2.gz GMOKRWONZAXDPM-UHFFFAOYSA-N 0 0 200.234 2.456 10 0 BEAERN O=Cc1c(CO)ccc(F)c1OC(F)(F)F ZINC000575706336 387410226 /nfs/dbraw/zinc/41/02/26/387410226.db2.gz UQRHRCUNBXVQGF-UHFFFAOYSA-N 0 0 238.136 2.029 10 0 BEAERN COc1ccc(CO)c(SC)c1F ZINC000575707589 387412148 /nfs/dbraw/zinc/41/21/48/387412148.db2.gz BZOLHEAZFNMYEO-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COc1cc(F)c(CO)cc1SC ZINC000575708790 387413810 /nfs/dbraw/zinc/41/38/10/387413810.db2.gz QLNOSUQWCXABQR-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN COC(=O)Cc1cc(OC)c(F)cc1Cl ZINC000575712076 387415086 /nfs/dbraw/zinc/41/50/86/387415086.db2.gz BQUNGBYDCVNCAS-UHFFFAOYSA-N 0 0 232.638 2.203 10 0 BEAERN COC(=O)c1cc(C)c(O)cc1Cl ZINC000575712609 387416272 /nfs/dbraw/zinc/41/62/72/387416272.db2.gz MXFRICXDTLGWCX-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN C=C(Cl)C(=O)N[C@H]1CCCSCC1 ZINC000575517371 387417861 /nfs/dbraw/zinc/41/78/61/387417861.db2.gz DVESXJKFHUYEJH-QMMMGPOBSA-N 0 0 219.737 2.141 10 0 BEAERN CCCC(=O)c1ccc(NC(C)=O)nc1 ZINC000584645420 387507726 /nfs/dbraw/zinc/50/77/26/387507726.db2.gz WQGREPJMMSSQHC-UHFFFAOYSA-N 0 0 206.245 2.023 10 0 BEAERN NC(=S)NCc1cccc(Cl)c1Cl ZINC000575526482 387533407 /nfs/dbraw/zinc/53/34/07/387533407.db2.gz SYVGJFOQXIUTBA-UHFFFAOYSA-N 0 0 235.139 2.327 10 0 BEAERN CCOC(=O)c1cc(N)c(C(F)(F)F)c(N)c1 ZINC000575726989 387464136 /nfs/dbraw/zinc/46/41/36/387464136.db2.gz RVCKWGRLVLIVKD-UHFFFAOYSA-N 0 0 248.204 2.047 10 0 BEAERN Cc1cc(OC(F)(F)F)cc(O)c1N ZINC000575727864 387465463 /nfs/dbraw/zinc/46/54/63/387465463.db2.gz HNJPLZSNZLEEPY-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1ccc(N)c(O)c1OC(F)(F)F ZINC000575728426 387465824 /nfs/dbraw/zinc/46/58/24/387465824.db2.gz OYZKUKQPZJRWCA-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COc1cc(CO)c(C)cc1OC(F)(F)F ZINC000575730050 387468314 /nfs/dbraw/zinc/46/83/14/387468314.db2.gz RIZWPUBUDFTRPM-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN COc1c(OC(F)(F)F)ccc(C)c1CO ZINC000575729256 387469023 /nfs/dbraw/zinc/46/90/23/387469023.db2.gz KLCWVOKPNQZPHV-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CNc1nc(-c2ccccc2Cl)no1 ZINC000053750038 387481141 /nfs/dbraw/zinc/48/11/41/387481141.db2.gz HMHQSSACOADXFQ-UHFFFAOYSA-N 0 0 209.636 2.432 10 0 BEAERN Cc1ccc(C(=O)NCc2cccc(C)n2)cn1 ZINC000130482849 387580158 /nfs/dbraw/zinc/58/01/58/387580158.db2.gz SMBOROFPSDBTRH-UHFFFAOYSA-N 0 0 241.294 2.023 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1cnn(C)c1Br ZINC000575540967 387591264 /nfs/dbraw/zinc/59/12/64/387591264.db2.gz HVAJSMURPORWDM-RNFRBKRXSA-N 0 0 244.136 2.251 10 0 BEAERN Cn1nccc1CCC(=O)NCC1(C)CCCC1 ZINC000123783487 387593920 /nfs/dbraw/zinc/59/39/20/387593920.db2.gz MEULZKJQWGEMKF-UHFFFAOYSA-N 0 0 249.358 2.049 10 0 BEAERN CCc1ccc(NC(=O)c2cnn(C)c2)cc1F ZINC000122767210 387594307 /nfs/dbraw/zinc/59/43/07/387594307.db2.gz FEJFLHLWNCLSKC-UHFFFAOYSA-N 0 0 247.273 2.374 10 0 BEAERN Cn1ccc(CNc2c(F)cccc2F)n1 ZINC000123811252 387596983 /nfs/dbraw/zinc/59/69/83/387596983.db2.gz INKRNBMZCOUDCY-UHFFFAOYSA-N 0 0 223.226 2.310 10 0 BEAERN C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)C)CC[N@@H+]1C ZINC000123942770 387600275 /nfs/dbraw/zinc/60/02/75/387600275.db2.gz VCHGUWOUJUHHKI-VXGBXAGGSA-N 0 0 240.391 2.364 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)CC1CCCC1 ZINC000122827582 387606539 /nfs/dbraw/zinc/60/65/39/387606539.db2.gz GZQXDVWVBHDLTO-LBPRGKRZSA-N 0 0 225.332 2.204 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NC(C)(C)C ZINC000117562315 387549275 /nfs/dbraw/zinc/54/92/75/387549275.db2.gz QSTCJWJKUGCYCU-CABZTGNLSA-N 0 0 233.311 2.466 10 0 BEAERN CC(C)(Br)C(=O)N[C@]12C[C@H]1CCC2 ZINC000575532440 387550183 /nfs/dbraw/zinc/55/01/83/387550183.db2.gz OBRWUJUQNUGLAP-GMSGAONNSA-N 0 0 246.148 2.219 10 0 BEAERN O=C(C(F)F)N1C[C@H]2CCCCC[C@@H]21 ZINC000375733795 387576341 /nfs/dbraw/zinc/57/63/41/387576341.db2.gz CMLUDJMRRMAYDU-SFYZADRCSA-N 0 0 203.232 2.043 10 0 BEAERN S=c1[n-]nc([C@@H]2CCCSCC2)o1 ZINC000575536029 387577160 /nfs/dbraw/zinc/57/71/60/387577160.db2.gz HRBLRFLRHLQNGX-ZCFIWIBFSA-N 0 0 216.331 2.359 10 0 BEAERN CCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124829076 387634397 /nfs/dbraw/zinc/63/43/97/387634397.db2.gz MOOYOLVJEFESGY-XQQFMLRXSA-N 0 0 240.391 2.364 10 0 BEAERN Cc1ccc(OCC(=O)N2CCCCCC2)cn1 ZINC000125106063 387643957 /nfs/dbraw/zinc/64/39/57/387643957.db2.gz CDCUCTSLSHZDHX-UHFFFAOYSA-N 0 0 248.326 2.171 10 0 BEAERN C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)[C@@H]1CCCO1 ZINC000125082087 387644072 /nfs/dbraw/zinc/64/40/72/387644072.db2.gz RJIZSCZHTJIRMG-USZNOCQGSA-N 0 0 240.347 2.136 10 0 BEAERN CS[C@H]1CC[C@H]1Nc1nccs1 ZINC000575551662 387649884 /nfs/dbraw/zinc/64/98/84/387649884.db2.gz XFYGCCQAISQBHW-RQJHMYQMSA-N 0 0 200.332 2.449 10 0 BEAERN Cc1nnc(NC(=O)N[C@H](C)C(C)C)s1 ZINC000043412562 387654835 /nfs/dbraw/zinc/65/48/35/387654835.db2.gz ORXVJCMDEYKZGT-ZCFIWIBFSA-N 0 0 228.321 2.013 10 0 BEAERN CSCc1ccc(C(=O)N2CCCO2)cc1 ZINC000125469012 387656318 /nfs/dbraw/zinc/65/63/18/387656318.db2.gz ZNBSIEPPSSAHIA-UHFFFAOYSA-N 0 0 237.324 2.327 10 0 BEAERN C[C@@H]1C(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447712 387684992 /nfs/dbraw/zinc/68/49/92/387684992.db2.gz MNYIQAQSZOMQSX-NOZJJQNGSA-N 0 0 239.315 2.223 10 0 BEAERN Nc1n[nH]c(-c2sccc2Cl)c1F ZINC000575574258 387752244 /nfs/dbraw/zinc/75/22/44/387752244.db2.gz NUMUQGFLKQILGK-UHFFFAOYSA-N 0 0 217.656 2.343 10 0 BEAERN Cc1sc(C[C@@H]2CC2(F)F)nc1N ZINC000575560548 387698934 /nfs/dbraw/zinc/69/89/34/387698934.db2.gz JSASESTZDMNWBD-RXMQYKEDSA-N 0 0 204.245 2.231 10 0 BEAERN CCC1(C(=O)N2CC[C@H](CCO)C2)CCCC1 ZINC000127052125 387703899 /nfs/dbraw/zinc/70/38/99/387703899.db2.gz IGGPYXVARSROBH-GFCCVEGCSA-N 0 0 239.359 2.188 10 0 BEAERN O=C(C1CCCCC1)N1CCCC[C@@H](CO)C1 ZINC000377243839 387704041 /nfs/dbraw/zinc/70/40/41/387704041.db2.gz KDTKYQYBVFNCBM-GFCCVEGCSA-N 0 0 239.359 2.188 10 0 BEAERN Nc1noc(-c2ccns2)c1Cl ZINC000575563618 387706749 /nfs/dbraw/zinc/70/67/49/387706749.db2.gz QGMVEUQUPOAFAB-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN Cc1c(Cl)ncnc1N[C@@H](C)CF ZINC000575573125 387755560 /nfs/dbraw/zinc/75/55/60/387755560.db2.gz ZAYNAIWBJIWEDN-YFKPBYRVSA-N 0 0 203.648 2.208 10 0 BEAERN CCCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127992185 387732891 /nfs/dbraw/zinc/73/28/91/387732891.db2.gz OEOPFJMALHJZSW-TZMCWYRMSA-N 0 0 239.359 2.330 10 0 BEAERN C[C@H](CF)Nc1cc(Br)ncn1 ZINC000575571521 387740251 /nfs/dbraw/zinc/74/02/51/387740251.db2.gz PNYCMSYWQBZEML-RXMQYKEDSA-N 0 0 234.072 2.009 10 0 BEAERN C[C@H](NC(=O)C1CC1)[C@@H]1COc2ccccc21 ZINC000129103436 387764651 /nfs/dbraw/zinc/76/46/51/387764651.db2.gz RGYBBGOKJJVQJX-CABZTGNLSA-N 0 0 231.295 2.077 10 0 BEAERN CC(C)(C)c1ccnc(NC[C@H]2CCC[C@H]2O)n1 ZINC000293118307 387797439 /nfs/dbraw/zinc/79/74/39/387797439.db2.gz QSOCFPDBIGHBIC-GHMZBOCLSA-N 0 0 249.358 2.347 10 0 BEAERN Cc1cc(C)cc(C(=O)NC[C@H]2CCC[C@H]2O)c1 ZINC000089161478 177893917 /nfs/dbraw/zinc/89/39/17/177893917.db2.gz SZLXNIBIRWUWGE-TZMCWYRMSA-N 0 0 247.338 2.194 10 0 BEAERN Cc1cc(C)cc(C(=O)NC[C@@H]2CCC[C@@H]2O)c1 ZINC000089161475 177893211 /nfs/dbraw/zinc/89/32/11/177893211.db2.gz SZLXNIBIRWUWGE-JSGCOSHPSA-N 0 0 247.338 2.194 10 0 BEAERN O=C(CC1CCCC1)N1CCC[C@H]1CCCO ZINC000052758601 387807845 /nfs/dbraw/zinc/80/78/45/387807845.db2.gz YVNFOFCECUTLQD-ZDUSSCGKSA-N 0 0 239.359 2.330 10 0 BEAERN O=C([C@H]1CC=CCC1)N1CCC[C@H]1CCCO ZINC000052759183 387810270 /nfs/dbraw/zinc/81/02/70/387810270.db2.gz JGTLRAPGJWNGPD-STQMWFEESA-N 0 0 237.343 2.106 10 0 BEAERN Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1N ZINC000575637521 387832161 /nfs/dbraw/zinc/83/21/61/387832161.db2.gz BYELENJXCMTDLH-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1CO ZINC000575637910 387832308 /nfs/dbraw/zinc/83/23/08/387832308.db2.gz KEKWFMLOPVMLJZ-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1c(CO)cc(C#N)cc1OC(F)F ZINC000575638108 387832958 /nfs/dbraw/zinc/83/29/58/387832958.db2.gz DOWLTXFNCCLMHX-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1ccc(C)c(N)c1OC(F)(F)F ZINC000575638794 387833470 /nfs/dbraw/zinc/83/34/70/387833470.db2.gz CUPLBDFSQQUWLB-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)Cc1c(C)ccc(C(F)(F)F)c1N ZINC000575638818 387833598 /nfs/dbraw/zinc/83/35/98/387833598.db2.gz DEEDCKMLQMQBRH-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1cc(C#N)c(C=O)c(OCC)c1 ZINC000575639083 387833741 /nfs/dbraw/zinc/83/37/41/387833741.db2.gz WDAODWZCOZYVEU-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(C#N)c(CO)cc1OC(F)F ZINC000575638354 387833906 /nfs/dbraw/zinc/83/39/06/387833906.db2.gz HIMZQSPYMXEGQZ-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1c(N)ccc(C(F)(F)F)c1OC ZINC000575638982 387834413 /nfs/dbraw/zinc/83/44/13/387834413.db2.gz GHZYRGBULINREV-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN Cc1cc(OC(F)(F)F)c(N)c([N+](=O)[O-])c1 ZINC000575639061 387834508 /nfs/dbraw/zinc/83/45/08/387834508.db2.gz ZITPFNHAAUMHRL-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN COc1cc(C#N)cc(F)c1OC(F)F ZINC000575639377 387835554 /nfs/dbraw/zinc/83/55/54/387835554.db2.gz GQTCEPMXOGPXED-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN N#CCc1cc(C=O)cc(OC(F)F)c1C#N ZINC000575639391 387835703 /nfs/dbraw/zinc/83/57/03/387835703.db2.gz HCMXIKDUDFDFJI-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1cc(C#N)c(OC)c(OCC)c1 ZINC000575638482 387836208 /nfs/dbraw/zinc/83/62/08/387836208.db2.gz RGPVTIICBQXSJP-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN CCOc1cc(C#N)c(C=O)cc1OC(F)F ZINC000575639588 387836902 /nfs/dbraw/zinc/83/69/02/387836902.db2.gz SGTUHVWCGIXGLU-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN N#Cc1cc(F)c(C=O)c(OC(F)F)c1 ZINC000575639614 387836987 /nfs/dbraw/zinc/83/69/87/387836987.db2.gz IXFRAVTZGBRLBI-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN N#CCc1c(C=O)cc(C#N)cc1OC(F)F ZINC000575639563 387837142 /nfs/dbraw/zinc/83/71/42/387837142.db2.gz ITBNRTNRMHDXBL-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN COc1cc(C(C)=O)cc(OC(F)F)c1C#N ZINC000575640311 387838391 /nfs/dbraw/zinc/83/83/91/387838391.db2.gz NPVRDFCTSCTXQE-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COC(=O)Cc1ccc(C(F)(F)F)c(N)c1C ZINC000575640470 387839613 /nfs/dbraw/zinc/83/96/13/387839613.db2.gz NBWOIFYKGSVNGO-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COc1cc(F)cc(C#N)c1OC(F)F ZINC000575639793 387840743 /nfs/dbraw/zinc/84/07/43/387840743.db2.gz JPMGXRZFIGKGFF-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN CCOc1cc(CO)c(C#N)c(C(F)F)c1 ZINC000575641091 387841001 /nfs/dbraw/zinc/84/10/01/387841001.db2.gz JZRXJXUNDPRDJI-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COC(=O)c1cc(C)c(C(F)(F)F)c(N)c1 ZINC000575639760 387841206 /nfs/dbraw/zinc/84/12/06/387841206.db2.gz KAEMTXUBXUWQTB-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCOc1c(CO)cc(C#N)cc1C(F)F ZINC000575641090 387841620 /nfs/dbraw/zinc/84/16/20/387841620.db2.gz JZJRHTHKUDOGCD-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1c(OC(F)F)cc(C#N)cc1C(C)=O ZINC000575641601 387842772 /nfs/dbraw/zinc/84/27/72/387842772.db2.gz WLWHDDLNJCDKFK-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(CC)cc(C#N)c1C=O ZINC000575642630 387844729 /nfs/dbraw/zinc/84/47/29/387844729.db2.gz FLHKPZGBEDDEDH-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)cc(C=O)c1CC ZINC000575642522 387844867 /nfs/dbraw/zinc/84/48/67/387844867.db2.gz DVVNLPWCYWIUJJ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(C#N)c(C(F)F)cc1CO ZINC000575642124 387845582 /nfs/dbraw/zinc/84/55/82/387845582.db2.gz SFNJVIJJXJWRKQ-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN COc1ccc(C#N)c(OC(F)F)c1C ZINC000575642101 387845736 /nfs/dbraw/zinc/84/57/36/387845736.db2.gz XCTDCCXWIUPLDC-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCOc1cc(C(F)F)cc(CO)c1C#N ZINC000575642239 387846174 /nfs/dbraw/zinc/84/61/74/387846174.db2.gz WCIMUXWEJZMEMC-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN N#Cc1c(F)cc(OC(F)F)cc1C=O ZINC000575641968 387846491 /nfs/dbraw/zinc/84/64/91/387846491.db2.gz ZTTVOWMNRACHMP-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CN(CC(=O)NC(C)(C)C)Cc1ccsc1 ZINC000061800429 387847187 /nfs/dbraw/zinc/84/71/87/387847187.db2.gz UDLDJUFZMGGCIW-UHFFFAOYSA-N 0 0 240.372 2.095 10 0 BEAERN CC[C@H](C)NC(=O)C[C@@H](C)c1cccnc1 ZINC000062618321 387854042 /nfs/dbraw/zinc/85/40/42/387854042.db2.gz MVYSPRJVUMGCLP-MNOVXSKESA-N 0 0 220.316 2.490 10 0 BEAERN CCOc1cc(F)cc(C(C)=O)c1C#N ZINC000575643391 387865176 /nfs/dbraw/zinc/86/51/76/387865176.db2.gz PWGGLMWCRQSNCX-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CC(=O)c1cc(C(F)F)cc(C#N)c1O ZINC000575642883 387866293 /nfs/dbraw/zinc/86/62/93/387866293.db2.gz KLEZBAQTMAWILV-UHFFFAOYSA-N 0 0 211.167 2.404 10 0 BEAERN N#Cc1cc(CO)c(C(F)F)cc1F ZINC000575643701 387869245 /nfs/dbraw/zinc/86/92/45/387869245.db2.gz SKPUHLVLSDDVMY-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCc1c(C#N)ccc(C(C)=O)c1C=O ZINC000575643885 387870784 /nfs/dbraw/zinc/87/07/84/387870784.db2.gz BNIPVRDKBYIUFC-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN N#Cc1cc(F)c(CO)cc1C(F)F ZINC000575644226 387872767 /nfs/dbraw/zinc/87/27/67/387872767.db2.gz XDAUTBDWGDIJFL-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN N#CCc1cc(C#N)cc(C(F)(F)F)c1C=O ZINC000575650137 387889811 /nfs/dbraw/zinc/88/98/11/387889811.db2.gz ZUCTYPIAKNXOTP-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCc1cc(C(C)=O)c(C#N)cc1[N+](=O)[O-] ZINC000575650855 387891401 /nfs/dbraw/zinc/89/14/01/387891401.db2.gz ZZUDJRKOYSNEAN-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN COc1ccc(C(F)(F)F)c(C#N)c1C=O ZINC000575650717 387891618 /nfs/dbraw/zinc/89/16/18/387891618.db2.gz UWSLQLGTZFHCDD-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCc1cc(CC)nc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000288219006 387891826 /nfs/dbraw/zinc/89/18/26/387891826.db2.gz DPORKAIQOPZYAI-GWCFXTLKSA-N 0 0 249.358 2.174 10 0 BEAERN COc1cc(OC)c(OC(F)F)cc1O ZINC000575652824 387892521 /nfs/dbraw/zinc/89/25/21/387892521.db2.gz LMVYDBREIBNBIA-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN COc1ccc(C#N)c(CO)c1C(F)(F)F ZINC000575648352 387892615 /nfs/dbraw/zinc/89/26/15/387892615.db2.gz MGAVQJYYJUULRQ-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1cc(OC(F)F)c(CO)cc1O ZINC000575653216 387894204 /nfs/dbraw/zinc/89/42/04/387894204.db2.gz AZTYXQZWBYPQEJ-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1ccc(OC(F)F)c(O)c1CO ZINC000575653280 387894678 /nfs/dbraw/zinc/89/46/78/387894678.db2.gz DJGYQKQDGZOVRA-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(OC(F)F)c(O)cc1CO ZINC000575653875 387895801 /nfs/dbraw/zinc/89/58/01/387895801.db2.gz QCFGKGOOVRCIES-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1ccc(CO)c(OC(F)F)c1O ZINC000575654211 387897099 /nfs/dbraw/zinc/89/70/99/387897099.db2.gz WTPJAWUUYNNGFE-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCOc1c(C#N)cc(C(C)=O)cc1OC ZINC000575644693 387876695 /nfs/dbraw/zinc/87/66/95/387876695.db2.gz DNICPWWZVPCLBZ-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCc1ccc(C(C)=O)c(C#N)c1OC ZINC000575644939 387877587 /nfs/dbraw/zinc/87/75/87/387877587.db2.gz KLDKNFMYEFFPRD-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C(F)(F)F)cc(C(N)=O)c1C#N ZINC000575646087 387877599 /nfs/dbraw/zinc/87/75/99/387877599.db2.gz FDNZVONUVBAULC-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1ccc(C(C)=O)c(C#N)c1[N+](=O)[O-] ZINC000575644908 387877632 /nfs/dbraw/zinc/87/76/32/387877632.db2.gz BUXARUDXZDGHTE-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1c(C=O)cc(C#N)cc1C(C)=O ZINC000575645214 387879104 /nfs/dbraw/zinc/87/91/04/387879104.db2.gz GQUCZSRTSNOSGN-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN CCc1ccc([N+](=O)[O-])c(OC)c1C#N ZINC000575646153 387879520 /nfs/dbraw/zinc/87/95/20/387879520.db2.gz HTRJHXCAQYVCBK-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN COc1cc(C=O)cc(C#N)c1C(F)(F)F ZINC000575645243 387879661 /nfs/dbraw/zinc/87/96/61/387879661.db2.gz BCKFJMABTOYSOS-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCOc1cc(O)c(C#N)cc1OCC ZINC000575647150 387880163 /nfs/dbraw/zinc/88/01/63/387880163.db2.gz DJASVQLFZGMNGK-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CCOc1ccc(O)c(OCC)c1C#N ZINC000575647145 387880443 /nfs/dbraw/zinc/88/04/43/387880443.db2.gz DFVBQXYNPQABNT-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN COc1cc(C#N)c(C=O)cc1C(F)(F)F ZINC000575646706 387881804 /nfs/dbraw/zinc/88/18/04/387881804.db2.gz HSPYXFQXAVWGGO-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1cc(C=O)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575646914 387883264 /nfs/dbraw/zinc/88/32/64/387883264.db2.gz FFACZHBECINSAJ-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCc1ccc(OC)c(C#N)c1[N+](=O)[O-] ZINC000575647863 387883580 /nfs/dbraw/zinc/88/35/80/387883580.db2.gz OHKNQDRROYEGOB-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1cc(C#N)c([N+](=O)[O-])cc1C(C)=O ZINC000575647612 387884160 /nfs/dbraw/zinc/88/41/60/387884160.db2.gz MVSXAAMMOSOALT-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN COc1cc([N+](=O)[O-])cc(C#N)c1C(F)(F)F ZINC000575647826 387884298 /nfs/dbraw/zinc/88/42/98/387884298.db2.gz IGFJJRKRRLQBIZ-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN CCc1ccc(C#N)c(OC)c1[N+](=O)[O-] ZINC000575648891 387885788 /nfs/dbraw/zinc/88/57/88/387885788.db2.gz QUHODGXOTGXCRI-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN COc1c(C#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575651353 387885858 /nfs/dbraw/zinc/88/58/58/387885858.db2.gz ZHLGIEMOBTVNMH-UHFFFAOYSA-N 0 0 246.144 2.494 10 0 BEAERN CCOc1ccc(C#N)c(OCC)c1[N+](=O)[O-] ZINC000575651168 387886701 /nfs/dbraw/zinc/88/67/01/387886701.db2.gz QZALQTVYUQMAFS-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CCOc1cc(C(C)=O)c(C#N)cc1[N+](=O)[O-] ZINC000575649164 387886856 /nfs/dbraw/zinc/88/68/56/387886856.db2.gz OMPQRHOAVZLLBX-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN COc1c(CO)cc(C#N)cc1C(F)(F)F ZINC000575649518 387888764 /nfs/dbraw/zinc/88/87/64/387888764.db2.gz QIUAGYSSDSTBFN-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1CCC[C@H](O)[C@H]1C ZINC000452721527 387899132 /nfs/dbraw/zinc/89/91/32/387899132.db2.gz VXRTWHXOYDXYIV-TUAOUCFPSA-N 0 0 227.348 2.040 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](O)[C@H]1C ZINC000452725890 387899758 /nfs/dbraw/zinc/89/97/58/387899758.db2.gz FFWBXJGMXGUYEP-IJLUTSLNSA-N 0 0 241.375 2.431 10 0 BEAERN Cn1c(CNc2ccc(F)cc2)nnc1C1CC1 ZINC000194981135 387901941 /nfs/dbraw/zinc/90/19/41/387901941.db2.gz BDZAWZRXGVIGFJ-UHFFFAOYSA-N 0 0 246.289 2.444 10 0 BEAERN CCc1ccccc1NCc1nnnn1C(C)C ZINC000194985182 387901961 /nfs/dbraw/zinc/90/19/61/387901961.db2.gz INOIRQDCUDFQDS-UHFFFAOYSA-N 0 0 245.330 2.429 10 0 BEAERN O=C(NCCCCO)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000194989970 387902967 /nfs/dbraw/zinc/90/29/67/387902967.db2.gz DKALVCXYAFSUGV-CHWSQXEVSA-N 0 0 239.359 2.092 10 0 BEAERN Cc1cc(C)cc(NCc2nnnn2C(C)C)c1 ZINC000194990057 387903281 /nfs/dbraw/zinc/90/32/81/387903281.db2.gz FIRBBVWEGDSYTC-UHFFFAOYSA-N 0 0 245.330 2.483 10 0 BEAERN COCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195340149 387920432 /nfs/dbraw/zinc/92/04/32/387920432.db2.gz GZTWRDBDNDQQRY-NSHDSACASA-N 0 0 240.372 2.359 10 0 BEAERN Cc1cc(C)c2c3n[nH]c(=O)c-3c[nH]c2c1 ZINC000053994860 387976457 /nfs/dbraw/zinc/97/64/57/387976457.db2.gz ZNRSWAPDJFPSFX-UHFFFAOYSA-N 0 0 213.240 2.434 10 0 BEAERN Clc1nc2cccc(Br)n2n1 ZINC000306382716 387990119 /nfs/dbraw/zinc/99/01/19/387990119.db2.gz PSAHKOQSFZDPPI-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CCC[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000246086356 388006652 /nfs/dbraw/zinc/00/66/52/388006652.db2.gz ZSBMTPZIAFECDB-LEWSCRJBSA-N 0 0 247.338 2.197 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)O1 ZINC000246089677 388008166 /nfs/dbraw/zinc/00/81/66/388008166.db2.gz UZASLPMMZBQGPZ-RXGFPQBGSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H]1CN(c2ncc(C=O)s2)C[C@H](C)S1 ZINC000069909901 388041976 /nfs/dbraw/zinc/04/19/76/388041976.db2.gz FUILZSCHJRREAY-YUMQZZPRSA-N 0 0 242.369 2.286 10 0 BEAERN C[C@H](Nc1ccc2nccnc2n1)[C@H]1CCCO1 ZINC000083419962 388051775 /nfs/dbraw/zinc/05/17/75/388051775.db2.gz LKSIJQPPXRRGOS-GXSJLCMTSA-N 0 0 244.298 2.004 10 0 BEAERN CC(C)n1nnnc1CN(C)C1CCCCC1 ZINC000195007826 388082246 /nfs/dbraw/zinc/08/22/46/388082246.db2.gz LCVGDEGNDSEJGD-UHFFFAOYSA-N 0 0 237.351 2.019 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1c(O)cccc1F ZINC000119037399 388101475 /nfs/dbraw/zinc/10/14/75/388101475.db2.gz XMROUUYQUKYOMC-QMMMGPOBSA-N 0 0 225.263 2.306 10 0 BEAERN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CO ZINC000521399791 256516209 /nfs/dbraw/zinc/51/62/09/256516209.db2.gz REZRWJHXGJTUIK-SNVBAGLBSA-N 0 0 243.347 2.404 10 0 BEAERN CCOC[C@@H](NC(=O)OC(C)C)C(C)C ZINC000233799720 388349686 /nfs/dbraw/zinc/34/96/86/388349686.db2.gz YWLQUPONQSREJY-SNVBAGLBSA-N 0 0 217.309 2.182 10 0 BEAERN C[C@@H]1CCC[C@@H](N(C)C(N)=S)CC1 ZINC000575522739 388358817 /nfs/dbraw/zinc/35/88/17/388358817.db2.gz CCUYPQNOWCSZLW-RKDXNWHRSA-N 0 0 200.351 2.131 10 0 BEAERN Fc1c(Br)cccc1NC1COC1 ZINC000575523294 388358828 /nfs/dbraw/zinc/35/88/28/388358828.db2.gz IZEZDHHGDQXTFM-UHFFFAOYSA-N 0 0 246.079 2.399 10 0 BEAERN O=C1NCC[C@H]1Cc1ccsc1Cl ZINC000575525228 388359482 /nfs/dbraw/zinc/35/94/82/388359482.db2.gz CTBKJLZYCVNUAT-ZETCQYMHSA-N 0 0 215.705 2.080 10 0 BEAERN NCc1nnc(-c2cccc(Cl)c2)s1 ZINC000057517189 388361763 /nfs/dbraw/zinc/36/17/63/388361763.db2.gz BVXFADKCGLNELD-UHFFFAOYSA-N 0 0 225.704 2.317 10 0 BEAERN O=C1NCC[C@@H]1c1ccc(Br)cc1 ZINC000057533301 388362542 /nfs/dbraw/zinc/36/25/42/388362542.db2.gz PXLHRXBAPOJJPB-SECBINFHSA-N 0 0 240.100 2.053 10 0 BEAERN CCC(CC)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000164079025 388372849 /nfs/dbraw/zinc/37/28/49/388372849.db2.gz JMECXZHUEFAYDB-QWRGUYRKSA-N 0 0 227.348 2.449 10 0 BEAERN CC(C)(C)OC(=O)N1C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 ZINC000218909713 388393667 /nfs/dbraw/zinc/39/36/67/388393667.db2.gz GQETWINOIJFTEK-XFWSIPNHSA-N 0 0 237.299 2.178 10 0 BEAERN CC(C)N(C(=O)N[C@H](C)[C@H]1CCCO1)C1CC1 ZINC000175856818 388443357 /nfs/dbraw/zinc/44/33/57/388443357.db2.gz NPFLBEMZJSUFSK-ZYHUDNBSSA-N 0 0 240.347 2.136 10 0 BEAERN CC(C)N(C(=O)N[C@@H](C)[C@H]1CCCO1)C1CC1 ZINC000175856799 388443466 /nfs/dbraw/zinc/44/34/66/388443466.db2.gz NPFLBEMZJSUFSK-CMPLNLGQSA-N 0 0 240.347 2.136 10 0 BEAERN CC(C)N(C(=O)N[C@@H](C)[C@@H]1CCCO1)C1CC1 ZINC000175856757 388443650 /nfs/dbraw/zinc/44/36/50/388443650.db2.gz NPFLBEMZJSUFSK-JQWIXIFHSA-N 0 0 240.347 2.136 10 0 BEAERN COc1ccc([C@@H](O)c2ccc(F)cc2)cn1 ZINC000144233962 388444682 /nfs/dbraw/zinc/44/46/82/388444682.db2.gz YXWCRKGOTYNBRL-ZDUSSCGKSA-N 0 0 233.242 2.311 10 0 BEAERN Cc1cccc(C(=O)N2C[C@@H](C)C[C@H](O)C2)c1C ZINC000335087117 388448408 /nfs/dbraw/zinc/44/84/08/388448408.db2.gz RANWAJUKPNDSGT-GWCFXTLKSA-N 0 0 247.338 2.146 10 0 BEAERN O=C(NCCC1CCCC1)c1ccncc1 ZINC000044705197 388458052 /nfs/dbraw/zinc/45/80/52/388458052.db2.gz OQHIEXIBVMCRLR-UHFFFAOYSA-N 0 0 218.300 2.392 10 0 BEAERN CCCC(=O)N1CCOC[C@@H]1Cc1ccccc1 ZINC000074907714 388461707 /nfs/dbraw/zinc/46/17/07/388461707.db2.gz JLKGZGKYOGDZHI-AWEZNQCLSA-N 0 0 247.338 2.257 10 0 BEAERN CC(C)C(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC000074907718 388462148 /nfs/dbraw/zinc/46/21/48/388462148.db2.gz QLFOWKGOICAJEM-CQSZACIVSA-N 0 0 247.338 2.113 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000648851646 388469199 /nfs/dbraw/zinc/46/91/99/388469199.db2.gz HZAWGNUBVUEQCK-JHJVBQTASA-N 0 0 241.375 2.478 10 0 BEAERN c1c[nH]c(C2CCC3(CC2)OCCO3)c1 ZINC000575469996 388473634 /nfs/dbraw/zinc/47/36/34/388473634.db2.gz NYKWLZKPGWDMHQ-UHFFFAOYSA-N 0 0 207.273 2.415 10 0 BEAERN CC(C)c1nsc(N[C@@H]2CCO[C@H]2C)n1 ZINC000134569064 388477539 /nfs/dbraw/zinc/47/75/39/388477539.db2.gz ZDJYXIJMEOIOHV-JGVFFNPUSA-N 0 0 227.333 2.251 10 0 BEAERN CCc1ccccc1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000295868632 388414463 /nfs/dbraw/zinc/41/44/63/388414463.db2.gz CQCYYTDKWCNVBO-SMDDNHRTSA-N 0 0 247.338 2.234 10 0 BEAERN c1ncc(CN2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000245512776 388421362 /nfs/dbraw/zinc/42/13/62/388421362.db2.gz AYVFNYFEQBZZET-VXGBXAGGSA-N 0 0 238.356 2.287 10 0 BEAERN Clc1ccc(-c2nc(C3CC3)no2)nn1 ZINC000070451436 388436270 /nfs/dbraw/zinc/43/62/70/388436270.db2.gz NFFJHRBWNKAEOV-UHFFFAOYSA-N 0 0 222.635 2.057 10 0 BEAERN CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000374460328 388489216 /nfs/dbraw/zinc/48/92/16/388489216.db2.gz FZBZZAMXOOOVFX-MISXGVKJSA-N 0 0 247.342 2.340 10 0 BEAERN CC(C)(CC(=O)N1CC[C@@H](CCO)C1)C1CC1 ZINC000343207948 388500194 /nfs/dbraw/zinc/50/01/94/388500194.db2.gz BODUSNHHFLBVRN-NSHDSACASA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H]1[C@H](O)CCCN1Cc1ncccc1Cl ZINC000528523371 388500674 /nfs/dbraw/zinc/50/06/74/388500674.db2.gz XFQVSGLXYFAZFS-JOYOIKCWSA-N 0 0 240.734 2.080 10 0 BEAERN CCCNC(=O)N(C)Cc1ccc(C)o1 ZINC000135725199 388507719 /nfs/dbraw/zinc/50/77/19/388507719.db2.gz XAHLLGWEOVIUBN-UHFFFAOYSA-N 0 0 210.277 2.139 10 0 BEAERN Cc1nccc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000378808278 388509605 /nfs/dbraw/zinc/50/96/05/388509605.db2.gz YGZNAHJLACVEEW-HBNTYKKESA-N 0 0 203.289 2.386 10 0 BEAERN Cc1noc([C@@H](C)NC2(C(C)C)CC2)n1 ZINC000378863036 388527297 /nfs/dbraw/zinc/52/72/97/388527297.db2.gz UTOYWBYAKFLXOJ-MRVPVSSYSA-N 0 0 209.293 2.217 10 0 BEAERN CC(C)(C)OC(=O)n1cc2cn[nH]c2c1 ZINC000066054685 388533055 /nfs/dbraw/zinc/53/30/55/388533055.db2.gz XOMSFSCTYJCSLA-UHFFFAOYSA-N 0 0 207.233 2.148 10 0 BEAERN CC(=O)Nc1ccc(O)c(-c2cccnc2)c1 ZINC000082295174 388586795 /nfs/dbraw/zinc/58/67/95/388586795.db2.gz WJXBDCVHPXLACD-UHFFFAOYSA-N 0 0 228.251 2.413 10 0 BEAERN Cc1ccc([C@@]23CCC(=O)N2CCCO3)c(C)c1 ZINC000003621894 388588196 /nfs/dbraw/zinc/58/81/96/388588196.db2.gz XSFAMKAWDRDGMU-HNNXBMFYSA-N 0 0 245.322 2.499 10 0 BEAERN CCn1c(C)nnc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000245889044 388609167 /nfs/dbraw/zinc/60/91/67/388609167.db2.gz JHOXGVJLYRUMBL-MNOVXSKESA-N 0 0 236.363 2.084 10 0 BEAERN CCCCCC(=O)N1CCC[C@]1(C)C(=O)OC ZINC000187629987 388609669 /nfs/dbraw/zinc/60/96/69/388609669.db2.gz LTADGOYUPICAPU-CYBMUJFWSA-N 0 0 241.331 2.121 10 0 BEAERN COC1=NC[C@@H](COCc2ccccc2)OCC1 ZINC000221805469 388584245 /nfs/dbraw/zinc/58/42/45/388584245.db2.gz HXWXSSXURWFGDK-ZDUSSCGKSA-N 0 0 249.310 2.037 10 0 BEAERN CNc1cc(-c2cccc(F)c2F)nc(N)n1 ZINC000223257675 388584622 /nfs/dbraw/zinc/58/46/22/388584622.db2.gz HLDCDPSJUDUYOO-UHFFFAOYSA-N 0 0 236.225 2.046 10 0 BEAERN Cc1cc(C)nc(N[C@@H]2CCC[C@@]2(C)CO)n1 ZINC000301442363 388586088 /nfs/dbraw/zinc/58/60/88/388586088.db2.gz JACDVDDTONCGTL-YPMHNXCESA-N 0 0 235.331 2.056 10 0 BEAERN CC(C)c1nnc(NC[C@@H]2CCC[C@@H]2O)s1 ZINC000301767381 388677655 /nfs/dbraw/zinc/67/76/55/388677655.db2.gz OEPFGMWBAYVDKI-IUCAKERBSA-N 0 0 241.360 2.234 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1nc(OC)ncc1Cl ZINC000225356212 388678140 /nfs/dbraw/zinc/67/81/40/388678140.db2.gz CZFZAPCPMXUCEA-XPUUQOCRSA-N 0 0 227.695 2.349 10 0 BEAERN COC[C@H](C)C(=O)NCC(C(C)C)C(C)C ZINC000192612027 388680612 /nfs/dbraw/zinc/68/06/12/388680612.db2.gz OIPCHCKMXYIANF-NSHDSACASA-N 0 0 229.364 2.313 10 0 BEAERN CC[C@H](C)C(=O)NCCCCSC ZINC000125949793 388683783 /nfs/dbraw/zinc/68/37/83/388683783.db2.gz YBNSXISKUAHZTF-VIFPVBQESA-N 0 0 203.351 2.292 10 0 BEAERN COC(=O)c1csc2ncnc(Cl)c12 ZINC000575442209 388635626 /nfs/dbraw/zinc/63/56/26/388635626.db2.gz PZGRWPXWDJKNKN-UHFFFAOYSA-N 0 0 228.660 2.131 10 0 BEAERN CCc1onc(C)c1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000089391848 388736789 /nfs/dbraw/zinc/73/67/89/388736789.db2.gz XLTVODYXTSNWMC-XVKPBYJWSA-N 0 0 238.287 2.051 10 0 BEAERN CC(C)c1nsc(NC(C)(C)[C@H](C)O)n1 ZINC000128152607 388739875 /nfs/dbraw/zinc/73/98/75/388739875.db2.gz QRCOROAGJDNNPT-ZETCQYMHSA-N 0 0 229.349 2.233 10 0 BEAERN O=c1c2c[nH]sc-2ncc1Br ZINC000575451318 388742051 /nfs/dbraw/zinc/74/20/51/388742051.db2.gz YVWWSPCPBJGEPM-UHFFFAOYSA-N 0 0 231.074 2.159 10 0 BEAERN COc1cccc([C@]2(O)CSC[C@H]2C)c1 ZINC000389697282 388702430 /nfs/dbraw/zinc/70/24/30/388702430.db2.gz JAXBXOPOYPKEPJ-SKDRFNHKSA-N 0 0 224.325 2.266 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1c(O)cccc1F ZINC000127420798 388723212 /nfs/dbraw/zinc/72/32/12/388723212.db2.gz NKFIJTQENQZZQH-SCZZXKLOSA-N 0 0 237.274 2.450 10 0 BEAERN COCCn1ccc2ccnc(Cl)c21 ZINC000117888057 388726373 /nfs/dbraw/zinc/72/63/73/388726373.db2.gz ILEZBHHUTCPTIA-UHFFFAOYSA-N 0 0 210.664 2.336 10 0 BEAERN CO[C@@H](C)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000128779464 388793551 /nfs/dbraw/zinc/79/35/51/388793551.db2.gz QZIHHJPSHXPZTQ-STQMWFEESA-N 0 0 249.354 2.419 10 0 BEAERN Cc1cc(C)n(CC(C)N=Nc2ccncc2)n1 ZINC000254495513 388795238 /nfs/dbraw/zinc/79/52/38/388795238.db2.gz XLIKPNCVUWBTJM-UHFFFAOYSA-N 0 0 243.314 2.383 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2nnc(C)s2)C1 ZINC000227759870 388758352 /nfs/dbraw/zinc/75/83/52/388758352.db2.gz CEIAOPMYDJZFKQ-IUCAKERBSA-N 0 0 227.333 2.216 10 0 BEAERN OC1CC(CNc2ccc(C(F)(F)F)cn2)C1 ZINC000091524212 388764867 /nfs/dbraw/zinc/76/48/67/388764867.db2.gz AAGRKOIQWSNNIB-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN Cc1nc(-c2occc2Br)n[nH]1 ZINC000575456484 388786626 /nfs/dbraw/zinc/78/66/26/388786626.db2.gz RFZQVWYHLFGSCD-UHFFFAOYSA-N 0 0 228.049 2.136 10 0 BEAERN O=C([O-])CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000037418439 388787747 /nfs/dbraw/zinc/78/77/47/388787747.db2.gz CQOBJSDPVHFJOY-UHFFFAOYSA-N 0 0 237.343 2.266 10 0 BEAERN Fc1ccnc([C@@H]2CSCCS2)n1 ZINC000575467615 388838189 /nfs/dbraw/zinc/83/81/89/388838189.db2.gz YHPPJIAYHDRWBY-LURJTMIESA-N 0 0 216.306 2.137 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccccc1O ZINC000231694924 388841184 /nfs/dbraw/zinc/84/11/84/388841184.db2.gz SKXWCQOPFHIKRZ-ONGXEEELSA-N 0 0 219.284 2.311 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(O)cc1F ZINC000649123763 388841546 /nfs/dbraw/zinc/84/15/46/388841546.db2.gz SLNRXVXJVATBOR-RLCGTCKNSA-N 0 0 249.285 2.450 10 0 BEAERN Nc1cc(NC(=O)OCc2ccccc2)ccn1 ZINC000575468958 388842377 /nfs/dbraw/zinc/84/23/77/388842377.db2.gz DWWZNUPBWWJYPS-UHFFFAOYSA-N 0 0 243.266 2.243 10 0 BEAERN Cc1cc(-c2nc([C@@H]3CC3(C)C)no2)cnn1 ZINC000329565141 177692979 /nfs/dbraw/zinc/69/29/79/177692979.db2.gz OFAHHWKEXCOSRD-VIFPVBQESA-N 0 0 230.271 2.349 10 0 BEAERN CCOC(=O)c1nccc(C)c1OC(F)(F)F ZINC000575374964 388883899 /nfs/dbraw/zinc/88/38/99/388883899.db2.gz CWSWEGCZGKQOEQ-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1nccc(C)c1OC(F)(F)F ZINC000575375155 388884147 /nfs/dbraw/zinc/88/41/47/388884147.db2.gz ROZNUQRPVXZYHM-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN Cc1cc(-c2cc(=O)cc[nH]2)ccc1F ZINC000065355694 177681417 /nfs/dbraw/zinc/68/14/17/177681417.db2.gz IFUDPRLZPMCEPQ-UHFFFAOYSA-N 0 0 203.216 2.489 10 0 BEAERN COC(=O)[C@](C)(N)c1cccc(C(F)(F)F)c1 ZINC000037514697 388891068 /nfs/dbraw/zinc/89/10/68/388891068.db2.gz UAVQAZQHPGUTAD-SNVBAGLBSA-N 0 0 247.216 2.052 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000153010351 388915745 /nfs/dbraw/zinc/91/57/45/388915745.db2.gz HBIDKWLSNNRCDI-MNOVXSKESA-N 0 0 234.299 2.204 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccc(S(C)(=O)=O)cc1F ZINC000288895647 388943635 /nfs/dbraw/zinc/94/36/35/388943635.db2.gz NKXUIJDKUUOSMQ-RDDDGLTNSA-N 0 0 243.303 2.050 10 0 BEAERN O=C1CO[C@H](c2ccc(Cl)s2)C1 ZINC000575502609 388990124 /nfs/dbraw/zinc/99/01/24/388990124.db2.gz SIQVWXKOKGNLDU-LURJTMIESA-N 0 0 202.662 2.432 10 0 BEAERN O=C1CO[C@@H](c2ccc(Br)o2)C1 ZINC000575501612 388990399 /nfs/dbraw/zinc/99/03/99/388990399.db2.gz CKPYNQIUWAIWOI-SSDOTTSWSA-N 0 0 231.045 2.073 10 0 BEAERN O=C1CO[C@H](c2sccc2Cl)C1 ZINC000575502608 388990550 /nfs/dbraw/zinc/99/05/50/388990550.db2.gz SBWIETWCXNNKMZ-ZETCQYMHSA-N 0 0 202.662 2.432 10 0 BEAERN C[C@@H](O)c1ccc(N2CCO[C@H](C)C2)c(F)c1 ZINC000035631151 132338751 /nfs/dbraw/zinc/33/87/51/132338751.db2.gz OHFYRHJHOGGMEY-NXEZZACHSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@@H]1[C@@H](C)CCCN1c1ccc(N)nc1 ZINC000050564063 132359098 /nfs/dbraw/zinc/35/90/98/132359098.db2.gz NMTMZPHBNKKYPY-VHSXEESVSA-N 0 0 205.305 2.289 10 0 BEAERN COC1CCN(c2cccc(N)c2C)CC1 ZINC000062724638 132388707 /nfs/dbraw/zinc/38/87/07/132388707.db2.gz DBPKFHZZCIODFM-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN CCN(C)C(=O)N1CCC[C@H]1c1nccs1 ZINC000376321143 169680641 /nfs/dbraw/zinc/68/06/41/169680641.db2.gz JNYXDZGCGKZKFM-VIFPVBQESA-N 0 0 239.344 2.352 10 0 BEAERN OC1CC(CNc2nc3ccccc3o2)C1 ZINC000084448877 322836042 /nfs/dbraw/zinc/83/60/42/322836042.db2.gz NXHWZRYSZKMDRQ-UHFFFAOYSA-N 0 0 218.256 2.011 10 0 BEAERN Cc1cncc(N2CCS[C@@H](C)[C@@H]2C)n1 ZINC000302226788 132261968 /nfs/dbraw/zinc/26/19/68/132261968.db2.gz PUFOATZIBXVOCQ-UWVGGRQHSA-N 0 0 223.345 2.115 10 0 BEAERN Cc1cc(N2CC(C)(C)OC(C)(C)C2)nnc1C ZINC000302518272 132264012 /nfs/dbraw/zinc/26/40/12/132264012.db2.gz AMSUGLUVYVJVCU-UHFFFAOYSA-N 0 0 249.358 2.487 10 0 BEAERN CC(C)OCCN1CCOc2ccccc21 ZINC000125133157 132297654 /nfs/dbraw/zinc/29/76/54/132297654.db2.gz IKJBXQSNXCCSSL-UHFFFAOYSA-N 0 0 221.300 2.310 10 0 BEAERN C[C@H]1CCCN(c2[nH]c(=O)nc3ccccc32)C1 ZINC000073666771 132303295 /nfs/dbraw/zinc/30/32/95/132303295.db2.gz ZOJMVJCTUSWKMS-JTQLQIEISA-N 0 0 243.310 2.159 10 0 BEAERN CO[C@@H]1C=Cc2ccccc2N1C(C)=O ZINC000003626006 132308835 /nfs/dbraw/zinc/30/88/35/132308835.db2.gz DNVWXCCXMJHGAD-GFCCVEGCSA-N 0 0 203.241 2.039 10 0 BEAERN COc1ccc2c(c1)N(C)CC(C)(C)C2=O ZINC000005138496 132308860 /nfs/dbraw/zinc/30/88/60/132308860.db2.gz ROVWVYMZURZPNP-UHFFFAOYSA-N 0 0 219.284 2.354 10 0 BEAERN CCc1cccc(N2CCC(=O)CC2)c1 ZINC000019473923 132325245 /nfs/dbraw/zinc/32/52/45/132325245.db2.gz VBQSDPFROTVKFK-UHFFFAOYSA-N 0 0 203.285 2.418 10 0 BEAERN C[C@H]1CCCCN1c1cc(C(N)=S)ccn1 ZINC000019488304 132325690 /nfs/dbraw/zinc/32/56/90/132325690.db2.gz DFORDOHYSBDHNG-VIFPVBQESA-N 0 0 235.356 2.095 10 0 BEAERN Nc1ccc2c(c1)CCCN2C(=O)c1ccoc1 ZINC000019874418 132328388 /nfs/dbraw/zinc/32/83/88/132328388.db2.gz PUZIMOHVCGIHLR-UHFFFAOYSA-N 0 0 242.278 2.455 10 0 BEAERN C[C@H]1CCCN(c2ncnc(Cl)c2C=O)C1 ZINC000019945808 132328692 /nfs/dbraw/zinc/32/86/92/132328692.db2.gz ZLIPRVMNIVTWLL-QMMMGPOBSA-N 0 0 239.706 2.179 10 0 BEAERN C[C@H]1CN(c2c(N)cccc2Cl)CCO1 ZINC000021957862 132332145 /nfs/dbraw/zinc/33/21/45/132332145.db2.gz IOBMIUVAVQAZRL-QMMMGPOBSA-N 0 0 226.707 2.147 10 0 BEAERN C[C@@H]1CN(c2cccc(Cl)c2CO)CCO1 ZINC000034956788 132337298 /nfs/dbraw/zinc/33/72/98/132337298.db2.gz LULXDSVMPYZEHR-SECBINFHSA-N 0 0 241.718 2.057 10 0 BEAERN COC(=O)[C@H](C)CN1CCCc2ccccc21 ZINC000035148517 132337598 /nfs/dbraw/zinc/33/75/98/132337598.db2.gz BQKPMCGGRKEMGV-LLVKDONJSA-N 0 0 233.311 2.248 10 0 BEAERN C[C@@H]1CN(c2ccc3scnc3c2N)CCO1 ZINC000035344110 132338251 /nfs/dbraw/zinc/33/82/51/132338251.db2.gz HAHBMEXDNLMLLO-MRVPVSSYSA-N 0 0 249.339 2.104 10 0 BEAERN C[C@@H](O)c1c(F)cccc1N1CCO[C@@H](C)C1 ZINC000035631146 132338820 /nfs/dbraw/zinc/33/88/20/132338820.db2.gz JWTOABAKLQJUNQ-VHSXEESVSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@@H](O)c1cc(F)ccc1N1CCO[C@@H](C)C1 ZINC000035631150 132338851 /nfs/dbraw/zinc/33/88/51/132338851.db2.gz LPIJVCNYPWJXGL-VHSXEESVSA-N 0 0 239.290 2.104 10 0 BEAERN COC(=O)C[C@H](C)N1CCCc2ccccc21 ZINC000035752083 132339108 /nfs/dbraw/zinc/33/91/08/132339108.db2.gz FBYUYONQBZLZGH-NSHDSACASA-N 0 0 233.311 2.391 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1ccc(F)cc1C=O ZINC000035787556 132339594 /nfs/dbraw/zinc/33/95/94/132339594.db2.gz JDQWPHRTIUQNST-ZJUUUORDSA-N 0 0 237.274 2.252 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@@H](C)OC[C@H]2C)cc1 ZINC000035787959 132339601 /nfs/dbraw/zinc/33/96/01/132339601.db2.gz XFGHSTLILMUVES-IJLUTSLNSA-N 0 0 235.327 2.354 10 0 BEAERN CC[C@H]1CCCN(c2ccc(N)c3nonc32)C1 ZINC000036168961 132340245 /nfs/dbraw/zinc/34/02/45/132340245.db2.gz KDKISJQLAWCPSE-VIFPVBQESA-N 0 0 246.314 2.431 10 0 BEAERN Nc1cccc(Cl)c1N1CCC[C@@H](CO)C1 ZINC000036226940 132340917 /nfs/dbraw/zinc/34/09/17/132340917.db2.gz BNSKJSDYYYCLAV-SECBINFHSA-N 0 0 240.734 2.131 10 0 BEAERN Cc1cc(N)cnc1N1CCC(C)CC1 ZINC000036241561 132341386 /nfs/dbraw/zinc/34/13/86/132341386.db2.gz LKHKSBXOMVAYTN-UHFFFAOYSA-N 0 0 205.305 2.209 10 0 BEAERN CC[C@@H]1CN(c2ccc(C=O)cc2F)CCO1 ZINC000036770195 132342803 /nfs/dbraw/zinc/34/28/03/132342803.db2.gz VBWQVUVLHHRKBN-LLVKDONJSA-N 0 0 237.274 2.253 10 0 BEAERN COc1nc(N2C[C@@H](C)C[C@H](C)C2)ccc1N ZINC000037066491 132343238 /nfs/dbraw/zinc/34/32/38/132343238.db2.gz QYMKQHJJKUWCQG-UWVGGRQHSA-N 0 0 235.331 2.155 10 0 BEAERN O=C1CCN(C2CC2)C(=O)N1c1ccccc1F ZINC000037606534 132344726 /nfs/dbraw/zinc/34/47/26/132344726.db2.gz NJFWVZWLLBMYJO-UHFFFAOYSA-N 0 0 248.257 2.147 10 0 BEAERN Nc1cccc2c1CCN(c1ccccn1)C2 ZINC000038032943 132345821 /nfs/dbraw/zinc/34/58/21/132345821.db2.gz FAVNUAWZUXVIJT-UHFFFAOYSA-N 0 0 225.295 2.227 10 0 BEAERN CCC(=O)N1CCSc2ccc(N)cc21 ZINC000038051214 132346010 /nfs/dbraw/zinc/34/60/10/132346010.db2.gz NXDCUEPSYAUIDZ-UHFFFAOYSA-N 0 0 222.313 2.118 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)N1CCSc2ccc(N)cc21 ZINC000038051235 132346126 /nfs/dbraw/zinc/34/61/26/132346126.db2.gz MHONLXMYNTVKLJ-PSASIEDQSA-N 0 0 248.351 2.364 10 0 BEAERN CCOC(=O)c1ccc(N2CCC(=O)CC2)cc1 ZINC000039271875 132346752 /nfs/dbraw/zinc/34/67/52/132346752.db2.gz UWOUGBBALATQAZ-UHFFFAOYSA-N 0 0 247.294 2.033 10 0 BEAERN C[C@H]1CCCCN1c1ncnc(Cl)c1N ZINC000040571761 132348221 /nfs/dbraw/zinc/34/82/21/132348221.db2.gz SUTRVPLNZBSDRG-ZETCQYMHSA-N 0 0 226.711 2.091 10 0 BEAERN CCO[C@@H]1CCCN(c2cccc(N)c2)C1 ZINC000042421298 132351520 /nfs/dbraw/zinc/35/15/20/132351520.db2.gz CEFXCEPMMOEJPB-CYBMUJFWSA-N 0 0 220.316 2.274 10 0 BEAERN C[C@@H]1c2ccsc2CCN1c1ncc(N)cn1 ZINC000042740664 132352640 /nfs/dbraw/zinc/35/26/40/132352640.db2.gz HTLSDYAUTZURFF-MRVPVSSYSA-N 0 0 246.339 2.244 10 0 BEAERN CCO[C@@H]1CCCN(c2ccccc2N)C1 ZINC000044412689 132354133 /nfs/dbraw/zinc/35/41/33/132354133.db2.gz MTXDOHRUCALCCP-LLVKDONJSA-N 0 0 220.316 2.274 10 0 BEAERN COc1cc(F)ccc1N1CCC(=O)[C@H](C)C1 ZINC000049693912 132356415 /nfs/dbraw/zinc/35/64/15/132356415.db2.gz IGIMFWXVHCCVGP-SECBINFHSA-N 0 0 237.274 2.250 10 0 BEAERN COc1cc(OC)cc(N2CCC(=O)[C@@H](C)C2)c1 ZINC000049693461 132356532 /nfs/dbraw/zinc/35/65/32/132356532.db2.gz LYVJOJXZTGFHSX-JTQLQIEISA-N 0 0 249.310 2.119 10 0 BEAERN COc1ccc(OC)c(N2CCC(=O)C[C@@H]2C)c1 ZINC000049707721 132356967 /nfs/dbraw/zinc/35/69/67/132356967.db2.gz DNZABCYUMPOKGD-JTQLQIEISA-N 0 0 249.310 2.262 10 0 BEAERN Cc1cc(C=O)ccc1N1CCOCC1(C)C ZINC000050544941 132358842 /nfs/dbraw/zinc/35/88/42/132358842.db2.gz MRQFKMHPQAVFKH-UHFFFAOYSA-N 0 0 233.311 2.423 10 0 BEAERN Nc1ccc2c(c1)N(C[C@H]1CCOC1)CCC2 ZINC000051296734 132359803 /nfs/dbraw/zinc/35/98/03/132359803.db2.gz UIAGBDCFUNFICD-LLVKDONJSA-N 0 0 232.327 2.058 10 0 BEAERN C[C@@H]1CN(c2cc(F)ccc2N)C[C@@H](C)O1 ZINC000052118776 132361946 /nfs/dbraw/zinc/36/19/46/132361946.db2.gz PUSUQVQKLYZHLD-RKDXNWHRSA-N 0 0 224.279 2.022 10 0 BEAERN Cc1ccc(N)cc1N1CCOCC1(C)C ZINC000053735229 132363531 /nfs/dbraw/zinc/36/35/31/132363531.db2.gz LTUFQSNWUJKNMW-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN Cc1ccc(N)cc1N1C[C@@H](C)O[C@H](C)C1 ZINC000053734391 132363578 /nfs/dbraw/zinc/36/35/78/132363578.db2.gz LPAADLNWSXVAFU-GHMZBOCLSA-N 0 0 220.316 2.191 10 0 BEAERN CCC[C@H](O)c1ccc2c(c1)CCC(=O)N2C ZINC000058112094 132368013 /nfs/dbraw/zinc/36/80/13/132368013.db2.gz OYAMEKXIFVZGER-ZDUSSCGKSA-N 0 0 233.311 2.429 10 0 BEAERN c1cn(CCCN2CCNc3ccccc32)cn1 ZINC000058790598 132368370 /nfs/dbraw/zinc/36/83/70/132368370.db2.gz JNVUXCYWWUDDIU-UHFFFAOYSA-N 0 0 242.326 2.205 10 0 BEAERN Cc1nccn1CCN1CCNc2ccccc21 ZINC000058790685 132368408 /nfs/dbraw/zinc/36/84/08/132368408.db2.gz DIHBKPJVVRXMLU-UHFFFAOYSA-N 0 0 242.326 2.124 10 0 BEAERN C[C@@H]1C[C@@H](C)CN(c2ccnc(C(N)=S)c2)C1 ZINC000061812195 132387215 /nfs/dbraw/zinc/38/72/15/132387215.db2.gz LKPGQALJBHPCRY-NXEZZACHSA-N 0 0 249.383 2.198 10 0 BEAERN CCCCN1c2cc(N)ccc2O[C@H](C)C1=O ZINC000011568948 132449299 /nfs/dbraw/zinc/44/92/99/132449299.db2.gz JYWYKGWXPDVUFI-SECBINFHSA-N 0 0 234.299 2.183 10 0 BEAERN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408405474 133484149 /nfs/dbraw/zinc/48/41/49/133484149.db2.gz JOJIHTIEHBXRQD-WYUUTHIRSA-N 0 0 240.347 2.042 10 0 BEAERN CC[C@H](C)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000164464740 133594652 /nfs/dbraw/zinc/59/46/52/133594652.db2.gz BHAZQXAZJCKJKC-SRVKXCTJSA-N 0 0 227.348 2.090 10 0 BEAERN O=C(C1=CCCC1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334750253 133731563 /nfs/dbraw/zinc/73/15/63/133731563.db2.gz HWKZYBBXVXRFBF-OLZOCXBDSA-N 0 0 247.338 2.124 10 0 BEAERN O=C(C1=CCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000335848740 133938256 /nfs/dbraw/zinc/93/82/56/133938256.db2.gz QGFOPKAVDGOTQF-UKRRQHHQSA-N 0 0 249.354 2.250 10 0 BEAERN Cc1cc2c(NCCOCC(C)C)nccn2n1 ZINC000167432877 133971301 /nfs/dbraw/zinc/97/13/01/133971301.db2.gz YGIPLSVLDYOENM-UHFFFAOYSA-N 0 0 248.330 2.122 10 0 BEAERN COc1ccc(O)c(C(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000335944078 134018970 /nfs/dbraw/zinc/01/89/70/134018970.db2.gz MERCDMOYNNOJLP-BXKDBHETSA-N 0 0 247.294 2.025 10 0 BEAERN O=C(NCC1CC(F)(F)C1)N1C[C@H]2CCC[C@H]21 ZINC000336099483 134081441 /nfs/dbraw/zinc/08/14/41/134081441.db2.gz ZJQGMVLUBOOQOO-NXEZZACHSA-N 0 0 244.285 2.226 10 0 BEAERN Cc1nc([C@@H](C)NC(=O)C(C)C)cs1 ZINC000170497117 134254330 /nfs/dbraw/zinc/25/43/30/134254330.db2.gz PAQOPZUKCNOCBW-SSDOTTSWSA-N 0 0 212.318 2.285 10 0 BEAERN Cc1nc([C@H](C)NC(=O)C(C)C)cs1 ZINC000170497118 134254355 /nfs/dbraw/zinc/25/43/55/134254355.db2.gz PAQOPZUKCNOCBW-ZETCQYMHSA-N 0 0 212.318 2.285 10 0 BEAERN C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)(C)C ZINC000172152436 134262281 /nfs/dbraw/zinc/26/22/81/134262281.db2.gz XDTPCAJXXSKIKP-ZDCRXTMVSA-N 0 0 240.347 2.040 10 0 BEAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCC1CC1 ZINC000174662387 134282744 /nfs/dbraw/zinc/28/27/44/134282744.db2.gz ZFLAVBZXVNJIJE-IINYFYTJSA-N 0 0 245.322 2.467 10 0 BEAERN C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCO1 ZINC000175522735 134287421 /nfs/dbraw/zinc/28/74/21/134287421.db2.gz VHMYQHOAHTZMIV-PWSUYJOCSA-N 0 0 225.332 2.250 10 0 BEAERN C[C@H](CC1CC1)NC(=O)c1ncncc1Cl ZINC000176480118 134291597 /nfs/dbraw/zinc/29/15/97/134291597.db2.gz GWLJHFJSDICMGD-SSDOTTSWSA-N 0 0 239.706 2.048 10 0 BEAERN CCCC[C@@H](CCC)SC[C@@H](O)CO ZINC000177406443 134297707 /nfs/dbraw/zinc/29/77/07/134297707.db2.gz GPWSSTHJSKRZJQ-WDEREUQCSA-N 0 0 220.378 2.432 10 0 BEAERN CCN(CC(C)C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000178041984 134302587 /nfs/dbraw/zinc/30/25/87/134302587.db2.gz WOXRBLHWAKJGOX-QWRGUYRKSA-N 0 0 213.321 2.058 10 0 BEAERN O[C@]12CCCC[C@@H]1CN(CC(F)(F)F)CC2 ZINC000220384204 134306211 /nfs/dbraw/zinc/30/62/11/134306211.db2.gz SPKYAZPXRZFBEC-ZJUUUORDSA-N 0 0 237.265 2.176 10 0 BEAERN C[C@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000178437355 134310418 /nfs/dbraw/zinc/31/04/18/134310418.db2.gz YJKOTDIBWIIUFC-DRZSPHRISA-N 0 0 237.343 2.203 10 0 BEAERN Cc1cnc([C@H](C)NCc2cccn2C)o1 ZINC000220950284 134315085 /nfs/dbraw/zinc/31/50/85/134315085.db2.gz HHIHNDZPOXCJQZ-JTQLQIEISA-N 0 0 219.288 2.172 10 0 BEAERN CCCN(CC)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000225637854 134356037 /nfs/dbraw/zinc/35/60/37/134356037.db2.gz ZTMZSDAQCSLZBU-UHFFFAOYSA-N 0 0 246.310 2.053 10 0 BEAERN CC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000225673001 134356702 /nfs/dbraw/zinc/35/67/02/134356702.db2.gz AYOIFRBYVXJBQB-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H](c1ccc(Cl)s1)N1C(=O)CNC1=O ZINC000225798520 134357433 /nfs/dbraw/zinc/35/74/33/134357433.db2.gz OUIIGZWGCNVYIF-YFKPBYRVSA-N 0 0 244.703 2.014 10 0 BEAERN CCCCNC(=O)N[C@H](C)c1ncc(C)o1 ZINC000226535895 134364530 /nfs/dbraw/zinc/36/45/30/134364530.db2.gz MBSDNXSTPVSEMD-SECBINFHSA-N 0 0 225.292 2.143 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccccc2)o1 ZINC000226616942 134368138 /nfs/dbraw/zinc/36/81/38/134368138.db2.gz QKPJFYUVSOLKLL-JTQLQIEISA-N 0 0 230.267 2.474 10 0 BEAERN Cc1nc([C@@H]2CCCN2c2ccc(F)cn2)no1 ZINC000408103240 134392194 /nfs/dbraw/zinc/39/21/94/134392194.db2.gz GKGSFLYTYWHHHF-JTQLQIEISA-N 0 0 248.261 2.254 10 0 BEAERN CCCCOC[C@@H](O)Cn1ccnc1CCC ZINC000227908654 134398605 /nfs/dbraw/zinc/39/86/05/134398605.db2.gz WZURLRXBTKWKPS-LBPRGKRZSA-N 0 0 240.347 2.013 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CC[C@H](C)O2)ccc1O ZINC000148556561 134446175 /nfs/dbraw/zinc/44/61/75/134446175.db2.gz ZNCUVNNUHRIBOH-JOYOIKCWSA-N 0 0 235.283 2.207 10 0 BEAERN Cc1cnc([C@@H](C)Nc2nccnc2C)o1 ZINC000231747407 134544456 /nfs/dbraw/zinc/54/44/56/134544456.db2.gz PPFAXSSJXWGBOQ-SECBINFHSA-N 0 0 218.260 2.255 10 0 BEAERN Cn1cc([C@H]2CCCN2C(=O)OCC2CC2)cn1 ZINC000189591384 134548271 /nfs/dbraw/zinc/54/82/71/134548271.db2.gz PUIHEZZYKOOZPA-GFCCVEGCSA-N 0 0 249.314 2.104 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)CCC1CC1 ZINC000189645775 134549866 /nfs/dbraw/zinc/54/98/66/134549866.db2.gz ULRJLDNCAZGTJM-CMPLNLGQSA-N 0 0 225.332 2.060 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190474036 134561288 /nfs/dbraw/zinc/56/12/88/134561288.db2.gz ODTKEGGLZFZBSM-WOPDTQHZSA-N 0 0 227.348 2.496 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)C1CCCC1 ZINC000191804512 134576859 /nfs/dbraw/zinc/57/68/59/134576859.db2.gz IVUYQUSRXMMGFW-GMXVVIOVSA-N 0 0 239.359 2.496 10 0 BEAERN O=C(NCC1CC1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000049053585 134628812 /nfs/dbraw/zinc/62/88/12/134628812.db2.gz MVHOFWKPOSLTKG-CHWSQXEVSA-N 0 0 230.311 2.252 10 0 BEAERN O=C(NCc1cscn1)c1ccccc1F ZINC000050407929 134661065 /nfs/dbraw/zinc/66/10/65/134661065.db2.gz FUFNAAWJBXHJSP-UHFFFAOYSA-N 0 0 236.271 2.212 10 0 BEAERN O=C(CC1CCCCC1)N[C@H]1CCCC[C@H]1O ZINC000052001510 134694503 /nfs/dbraw/zinc/69/45/03/134694503.db2.gz PGJQCXZNKILKTJ-QWHCGFSZSA-N 0 0 239.359 2.377 10 0 BEAERN O=C(C1CCCCC1)N1CCC[C@@H]1CCCO ZINC000052758563 134710687 /nfs/dbraw/zinc/71/06/87/134710687.db2.gz RDVQQBGSRZJUNG-CYBMUJFWSA-N 0 0 239.359 2.330 10 0 BEAERN O=C1NCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000135322027 134741605 /nfs/dbraw/zinc/74/16/05/134741605.db2.gz MAWJKKWSORFANJ-UHFFFAOYSA-N 0 0 244.216 2.231 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccc(F)cc1C ZINC000135345167 134742221 /nfs/dbraw/zinc/74/22/21/134742221.db2.gz JKXHBDWGTRIVEV-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN OCCCc1cccc(N[C@H]2CCCOC2)c1 ZINC000136254112 134768513 /nfs/dbraw/zinc/76/85/13/134768513.db2.gz PYUNRNAETNPUHH-AWEZNQCLSA-N 0 0 235.327 2.202 10 0 BEAERN CCCc1nnc(NCCSC)s1 ZINC000152003929 134807783 /nfs/dbraw/zinc/80/77/83/134807783.db2.gz ZHFAZMDROHGBNZ-UHFFFAOYSA-N 0 0 217.363 2.266 10 0 BEAERN C[C@H](CC(=O)NC(C)(C)C)c1cccnc1 ZINC000062634169 134809890 /nfs/dbraw/zinc/80/98/90/134809890.db2.gz XJETZYJRFOKMBV-SNVBAGLBSA-N 0 0 220.316 2.490 10 0 BEAERN Cc1ccc(NCc2nnnn2C(C)C)cc1F ZINC000194983398 134834036 /nfs/dbraw/zinc/83/40/36/134834036.db2.gz YMQLNLIIJDPARW-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN CCc1nnc(CN(CC)c2ccccc2)n1C ZINC000195086494 134835284 /nfs/dbraw/zinc/83/52/84/134835284.db2.gz QACSPPVUASRLRP-UHFFFAOYSA-N 0 0 244.342 2.404 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC=CCC2)O1 ZINC000246021086 134874639 /nfs/dbraw/zinc/87/46/39/134874639.db2.gz MKONHBUHKUSPJM-IJLUTSLNSA-N 0 0 223.316 2.026 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCCC1CCCC1 ZINC000187985717 134939993 /nfs/dbraw/zinc/93/99/93/134939993.db2.gz NVBPIXOAZOCSRJ-WCQYABFASA-N 0 0 239.359 2.498 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000246742520 134960354 /nfs/dbraw/zinc/96/03/54/134960354.db2.gz IQDCXINGTRYGKQ-SWHYSGLUSA-N 0 0 245.322 2.215 10 0 BEAERN CCC[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000246861666 134963616 /nfs/dbraw/zinc/96/36/16/134963616.db2.gz DPVRAJKSXMIPPB-QJPTWQEYSA-N 0 0 227.348 2.090 10 0 BEAERN CCCC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246984310 134966470 /nfs/dbraw/zinc/96/64/70/134966470.db2.gz OPBPJVVARYUWNA-UMVBOHGHSA-N 0 0 229.323 2.489 10 0 BEAERN O[C@H](CN1CCC[C@H]1c1ccco1)C(F)(F)F ZINC000248394170 135001561 /nfs/dbraw/zinc/00/15/61/135001561.db2.gz MYABMIOBLYXTDW-WCBMZHEXSA-N 0 0 249.232 2.340 10 0 BEAERN CC(C)[C@@]1(C)C[C@H]1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000248541112 135004296 /nfs/dbraw/zinc/00/42/96/135004296.db2.gz BOWAOZBDKRUSSB-KZVDOYCCSA-N 0 0 239.359 2.304 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H](C)C2)O1 ZINC000248471437 135012452 /nfs/dbraw/zinc/01/24/52/135012452.db2.gz IWRZTXIPZRHFJM-UTUOFQBUSA-N 0 0 225.332 2.203 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1cccc2c1OCC[C@H]2O ZINC000248638698 135017475 /nfs/dbraw/zinc/01/74/75/135017475.db2.gz LMVRXCXOQLHRRS-XHVZSJERSA-N 0 0 249.310 2.092 10 0 BEAERN CC(C)C[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000248716471 135019273 /nfs/dbraw/zinc/01/92/73/135019273.db2.gz BXUVGHOLYYPCNV-YNEHKIRRSA-N 0 0 241.375 2.336 10 0 BEAERN Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1C[C@H]1C)CO2 ZINC000248788730 135021877 /nfs/dbraw/zinc/02/18/77/135021877.db2.gz XSJGNANLNJGHMY-RTXFEEFZSA-N 0 0 245.322 2.304 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@@H]1C ZINC000249710858 135043391 /nfs/dbraw/zinc/04/33/91/135043391.db2.gz YCFPYQCZDUXBDK-WISYIIOYSA-N 0 0 225.332 2.058 10 0 BEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CC=CCC1 ZINC000077206601 135060038 /nfs/dbraw/zinc/06/00/38/135060038.db2.gz GFJGTAULTWEMNN-AVGNSLFASA-N 0 0 237.343 2.010 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1nc2ccccc2o1 ZINC000077367523 135063138 /nfs/dbraw/zinc/06/31/38/135063138.db2.gz XPLICTSRQHZLPV-GHMZBOCLSA-N 0 0 246.310 2.437 10 0 BEAERN Cc1cccc(OCCN2[C@H](C)COC[C@H]2C)c1 ZINC000077370444 135063304 /nfs/dbraw/zinc/06/33/04/135063304.db2.gz HOFHMVHLNGLKTK-ZIAGYGMSSA-N 0 0 249.354 2.483 10 0 BEAERN CCCC[C@H](CC)C(=O)NC[C@H]1CCC[C@H]1O ZINC000251319610 135067825 /nfs/dbraw/zinc/06/78/25/135067825.db2.gz JXRZJYWMXIZJPH-YNEHKIRRSA-N 0 0 241.375 2.480 10 0 BEAERN CC1=C2C[C@H]3[C@H](CO)[C@H]4C[C@H]4[C@]3(C)C=C2OC1=O ZINC000238739908 135077228 /nfs/dbraw/zinc/07/72/28/135077228.db2.gz XZHCTKZHBRTLRU-CYRTVHNOSA-N 0 0 246.306 2.028 10 0 BEAERN CC(C)[C@@H]1[C@@H]2C[C@@]3(C)[C@H]([C@H]12)[C@@](C)(O)CC[C@H]3O ZINC000256630523 135099132 /nfs/dbraw/zinc/09/91/32/135099132.db2.gz HAGUIOILOILJEM-JTGSROGXSA-N 0 0 238.371 2.437 10 0 BEAERN C/C=C\CSCc1nnc(C)n1CC ZINC000255541466 135130180 /nfs/dbraw/zinc/13/01/80/135130180.db2.gz BLVTTZVZAMDDFV-XQRVVYSFSA-N 0 0 211.334 2.416 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCCCC(C)(C)CO ZINC000345036350 135196691 /nfs/dbraw/zinc/19/66/91/135196691.db2.gz XXTRRIWCYVZQEJ-NWDGAFQWSA-N 0 0 241.375 2.338 10 0 BEAERN CCCCN(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000079487639 135327387 /nfs/dbraw/zinc/32/73/87/135327387.db2.gz NYGKQPOAYHXJQI-NWDGAFQWSA-N 0 0 242.363 2.386 10 0 BEAERN Cc1nocc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000334304869 135348229 /nfs/dbraw/zinc/34/82/29/135348229.db2.gz CGGDQEAZJDHVMG-QWHCGFSZSA-N 0 0 236.315 2.126 10 0 BEAERN Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]32)c(C)n1C ZINC000334343394 135364671 /nfs/dbraw/zinc/36/46/71/135364671.db2.gz QYTZVJBNEVLNSA-WCQYABFASA-N 0 0 232.327 2.266 10 0 BEAERN CCC(C)(C)NC(=O)[C@H]1CCCn2ccnc21 ZINC000080511228 135378988 /nfs/dbraw/zinc/37/89/88/135378988.db2.gz NXVURRDUPXFROY-JTQLQIEISA-N 0 0 235.331 2.065 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCC1CC1 ZINC000081007066 135385540 /nfs/dbraw/zinc/38/55/40/135385540.db2.gz ZFLAVBZXVNJIJE-YGRLFVJLSA-N 0 0 245.322 2.467 10 0 BEAERN CC[C@H](O)CCCNC(=O)[C@H]1CCC[C@@H]1C ZINC000344995626 135465990 /nfs/dbraw/zinc/46/59/90/135465990.db2.gz SBJSTVOLZPSYRU-SRVKXCTJSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000344997288 135466462 /nfs/dbraw/zinc/46/64/62/135466462.db2.gz VYYNFRZQQCCAOT-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN CCN(C)C(=O)N1CCCCC[C@@H]1C[C@@H](C)O ZINC000093514001 135601072 /nfs/dbraw/zinc/60/10/72/135601072.db2.gz QMYQMYNPMDMIJH-VXGBXAGGSA-N 0 0 242.363 2.074 10 0 BEAERN CC1(C)CC(C(=O)N2CC(=O)CC2(C)C)C1 ZINC000334920174 135841917 /nfs/dbraw/zinc/84/19/17/135841917.db2.gz ULLRJSQKQDFYLS-UHFFFAOYSA-N 0 0 223.316 2.003 10 0 BEAERN Cc1ccc([C@H](C)NCc2cc(C)n(C)n2)o1 ZINC000348217228 136046604 /nfs/dbraw/zinc/04/66/04/136046604.db2.gz FUDIRLPCBRRQIZ-NSHDSACASA-N 0 0 233.315 2.481 10 0 BEAERN CC(=O)CCC(=O)N1CCCC12CCCC2 ZINC000374367207 136077996 /nfs/dbraw/zinc/07/79/96/136077996.db2.gz VBPVBGYUYCNQKO-UHFFFAOYSA-N 0 0 223.316 2.291 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)CC2(C)CCCC2)C1 ZINC000335383994 136088272 /nfs/dbraw/zinc/08/82/72/136088272.db2.gz JUQZKYBJQMVHOK-RYUDHWBXSA-N 0 0 239.359 2.186 10 0 BEAERN CC(C)CN(C)C(=O)c1cnc(N)c(Cl)c1 ZINC000050701286 166937126 /nfs/dbraw/zinc/93/71/26/166937126.db2.gz WEXIMRLHFWCATP-UHFFFAOYSA-N 0 0 241.722 2.045 10 0 BEAERN COC(=O)c1nc(C(F)(F)F)sc1C ZINC000159598901 397763790 /nfs/dbraw/zinc/76/37/90/397763790.db2.gz WBSWARIUEJGKFZ-UHFFFAOYSA-N 0 0 225.191 2.257 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2ccccn2)C1 ZINC000301777322 397791979 /nfs/dbraw/zinc/79/19/79/397791979.db2.gz LUKYABURMBEMIP-MNOVXSKESA-N 0 0 206.289 2.451 10 0 BEAERN CC(=O)Oc1ccc(CC(=O)C(F)(F)F)cc1 ZINC000197166509 397841429 /nfs/dbraw/zinc/84/14/29/397841429.db2.gz QDXXIBNPNRKYKG-UHFFFAOYSA-N 0 0 246.184 2.286 10 0 BEAERN O=C(c1ccccc1)N1CCC[C@]12CCOC2 ZINC000310114611 397878443 /nfs/dbraw/zinc/87/84/43/397878443.db2.gz GQIVNAPQMMZCIY-CQSZACIVSA-N 0 0 231.295 2.082 10 0 BEAERN Fc1cnccc1-n1ccc(Br)n1 ZINC000575465721 397949747 /nfs/dbraw/zinc/94/97/47/397949747.db2.gz MXJMQMRUEVHGPK-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN CCSc1ncnc(F)c1Br ZINC000575468341 397951138 /nfs/dbraw/zinc/95/11/38/397951138.db2.gz VDYKUGHHBQIKRO-UHFFFAOYSA-N 0 0 237.097 2.490 10 0 BEAERN C[C@@H](c1cccnc1)[C@H](O)c1cccnc1 ZINC000196139915 397951490 /nfs/dbraw/zinc/95/14/90/397951490.db2.gz CFAQETAOZPEMMZ-GWCFXTLKSA-N 0 0 214.268 2.314 10 0 BEAERN OCc1c(CO)c(-c2ccccc2)n2c1CCC2 ZINC000196144867 397951501 /nfs/dbraw/zinc/95/15/01/397951501.db2.gz KDECYMCLGVCHBC-UHFFFAOYSA-N 0 0 243.306 2.086 10 0 BEAERN Cc1cnccc1[Si](C)(C)c1ccccc1 ZINC000196102038 397908726 /nfs/dbraw/zinc/90/87/26/397908726.db2.gz QLRWNLYMUXPCFR-UHFFFAOYSA-N 0 0 227.383 2.213 10 0 BEAERN O=C1c2ccncc2CCN1Cc1ccccc1 ZINC000149716404 397910404 /nfs/dbraw/zinc/91/04/04/397910404.db2.gz UGJGREHDIWFMSK-UHFFFAOYSA-N 0 0 238.290 2.280 10 0 BEAERN Cc1ccc(NC(=O)OCn2cncn2)cc1C ZINC000020394758 397964144 /nfs/dbraw/zinc/96/41/44/397964144.db2.gz GIBHEVRTNFVWEW-UHFFFAOYSA-N 0 0 246.270 2.101 10 0 BEAERN CCc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1 ZINC000575645376 398044513 /nfs/dbraw/zinc/04/45/13/398044513.db2.gz AQFMSSJLTFZLHP-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN CCc1nccnc1NCc1ccccc1 ZINC000575593443 397992036 /nfs/dbraw/zinc/99/20/36/397992036.db2.gz FJQQQBXCDIHVTB-UHFFFAOYSA-N 0 0 213.284 2.073 10 0 BEAERN Clc1nsnc1N1C[C@@H]2CC[C@H]2C1 ZINC000575595879 398007086 /nfs/dbraw/zinc/00/70/86/398007086.db2.gz AIXBSDOXJMULFA-WDSKDSINSA-N 0 0 215.709 2.038 10 0 BEAERN Clc1noc(-c2ncccc2Cl)n1 ZINC000575597381 398014613 /nfs/dbraw/zinc/01/46/13/398014613.db2.gz CHBOLMFIXOIXEX-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN Cc1cc(Br)cn2c(=S)[nH]nc12 ZINC000306667308 398017171 /nfs/dbraw/zinc/01/71/71/398017171.db2.gz GLPMYLUMNIHWLV-UHFFFAOYSA-N 0 0 244.117 2.089 10 0 BEAERN C[C@H]1CN(c2ccc(Br)nn2)[C@H]1C ZINC000575599441 398018997 /nfs/dbraw/zinc/01/89/97/398018997.db2.gz FZQYXGNCEOIIEH-BQBZGAKWSA-N 0 0 242.120 2.084 10 0 BEAERN C[C@H](Nc1cnns1)C1(Cl)CC1 ZINC000575465235 397974527 /nfs/dbraw/zinc/97/45/27/397974527.db2.gz AMVXCXXBQSVEIZ-YFKPBYRVSA-N 0 0 203.698 2.110 10 0 BEAERN O=c1[nH]ccn1-c1cccc(Cl)c1Cl ZINC000231936266 397978798 /nfs/dbraw/zinc/97/87/98/397978798.db2.gz KLEGZNFMLKWQHY-UHFFFAOYSA-N 0 0 229.066 2.472 10 0 BEAERN CC(C)C[C@]1(C(=O)[O-])[NH2+]CCc2ccsc21 ZINC000584883736 397981320 /nfs/dbraw/zinc/98/13/20/397981320.db2.gz BCHOUWNJJIPKIF-LBPRGKRZSA-N 0 0 239.340 2.220 10 0 BEAERN CC[C@@]1(C)C[C@H]1NC1N=NC(=S)S1 ZINC000307122358 397982331 /nfs/dbraw/zinc/98/23/31/397982331.db2.gz LOYBHWJLUXPXQM-XRGYYRRGSA-N 0 0 215.347 2.427 10 0 BEAERN Clc1csc(NCc2csnn2)n1 ZINC000307122300 397982414 /nfs/dbraw/zinc/98/24/14/397982414.db2.gz LHWZJDMGVGREEE-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN Nc1cc(-c2coc(Br)c2)on1 ZINC000307134941 397986945 /nfs/dbraw/zinc/98/69/45/397986945.db2.gz PEHOCWCBNNWJMP-UHFFFAOYSA-N 0 0 229.033 2.279 10 0 BEAERN CCOC(=O)c1c(N)c(O)ccc1C(F)(F)F ZINC000575725729 398068872 /nfs/dbraw/zinc/06/88/72/398068872.db2.gz VBRIESDDZCTBBB-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCOC(=O)c1cc(CC)cc(N)c1C ZINC000575724702 398069575 /nfs/dbraw/zinc/06/95/75/398069575.db2.gz QIKHHKXWEYNFHZ-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN COC(=O)c1cc2nc(Cl)oc2c(OC)c1 ZINC000584646653 398086276 /nfs/dbraw/zinc/08/62/76/398086276.db2.gz ULFAAGQMQWPCSV-UHFFFAOYSA-N 0 0 241.630 2.276 10 0 BEAERN Cc1nc(N)nc(N[C@@H](C)c2ccccc2C)n1 ZINC000197838865 398114599 /nfs/dbraw/zinc/11/45/99/398114599.db2.gz LXRGOLQDXPPEQU-VIFPVBQESA-N 0 0 243.314 2.244 10 0 BEAERN CC[C@H]1CCCN1C(=O)c1ccc(F)cc1N ZINC000062822844 1172782904 /nfs/dbraw/zinc/78/29/04/1172782904.db2.gz DHIGODWMEHINQB-JTQLQIEISA-N 0 0 236.290 2.423 10 0 BEAERN CC(C)[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594013 167028928 /nfs/dbraw/zinc/02/89/28/167028928.db2.gz WSZCUVSLLMOKAB-GFCCVEGCSA-N 0 0 219.284 2.079 10 0 BEAERN CC(C)OC(=O)C1[C@H](C)CC(=O)C[C@H]1C ZINC000117778331 167154666 /nfs/dbraw/zinc/15/46/66/167154666.db2.gz SSEKMTKXNSYLLL-RKDXNWHRSA-N 0 0 212.289 2.189 10 0 BEAERN COCCCCNC(=O)Nc1ccccc1 ZINC000062184442 487563956 /nfs/dbraw/zinc/56/39/56/487563956.db2.gz BQNYJJFZGNVYPV-UHFFFAOYSA-N 0 0 222.288 2.235 10 0 BEAERN Clc1snnc1CN1C[C@H]2CCC[C@@H]21 ZINC000674389386 487570064 /nfs/dbraw/zinc/57/00/64/487570064.db2.gz QPCXBEITEKYFTA-SVRRBLITSA-N 0 0 229.736 2.176 10 0 BEAERN CC(C)Oc1nc(Cl)nc(N[C@H]2C[C@@H]2C)n1 ZINC000061542341 167311693 /nfs/dbraw/zinc/31/16/93/167311693.db2.gz PBGCTKDKNKZKOY-BQBZGAKWSA-N 0 0 242.710 2.133 10 0 BEAERN CC(C)SCC(=O)Nc1cccc(N)c1 ZINC000037685307 167321781 /nfs/dbraw/zinc/32/17/81/167321781.db2.gz SUNREBWNUBKYHO-UHFFFAOYSA-N 0 0 224.329 2.349 10 0 BEAERN CCc1cc(NC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC000049139092 409921626 /nfs/dbraw/zinc/92/16/26/409921626.db2.gz CUGGDDIKVVNKDJ-VIFPVBQESA-N 0 0 219.288 2.267 10 0 BEAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)CCCCO ZINC000215247916 409902685 /nfs/dbraw/zinc/90/26/85/409902685.db2.gz ZZEQYTXKWDYZNU-OLZOCXBDSA-N 0 0 241.375 2.480 10 0 BEAERN Cc1ncn(C[C@@H]2CCC[C@@H](O)C2)c1C ZINC000308883014 409935110 /nfs/dbraw/zinc/93/51/10/409935110.db2.gz FNVAECVRVVMLDX-VXGBXAGGSA-N 0 0 208.305 2.051 10 0 BEAERN Brc1ccc(Cn2ccnc2)cn1 ZINC000084614813 166098209 /nfs/dbraw/zinc/09/82/09/166098209.db2.gz RMVSKVIWDJAADC-UHFFFAOYSA-N 0 0 238.088 2.089 10 0 BEAERN Brc1ccc([C@H]2[NH2+]CCO2)cc1 ZINC000034469649 166099737 /nfs/dbraw/zinc/09/97/37/166099737.db2.gz ZZBVKILSICMDOH-VIFPVBQESA-N 0 0 228.089 2.068 10 0 BEAERN Brc1cccc(-n2cncn2)c1 ZINC000117115791 166101524 /nfs/dbraw/zinc/10/15/24/166101524.db2.gz YJQBLWWHFYAXRA-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1ccnc(-c2cncnc2)c1 ZINC000044118538 166102477 /nfs/dbraw/zinc/10/24/77/166102477.db2.gz TXJZKZSHFUJJLX-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccn2c(c1)nnc2C1CC1 ZINC000104830572 166103170 /nfs/dbraw/zinc/10/31/70/166103170.db2.gz PMRXJLKMSZYSDP-UHFFFAOYSA-N 0 0 238.088 2.369 10 0 BEAERN CCCc1nccnc1N1CCC[C@H]1C[C@H](C)O ZINC000663742968 410321884 /nfs/dbraw/zinc/32/18/84/410321884.db2.gz YPHSFBCLXYQSBQ-RYUDHWBXSA-N 0 0 249.358 2.169 10 0 BEAERN Cc1ccc(C)c(N2CC[C@@H](CO)C2)c1 ZINC000011892781 410312259 /nfs/dbraw/zinc/31/22/59/410312259.db2.gz HCYANXMMSBUDRX-GFCCVEGCSA-N 0 0 205.301 2.122 10 0 BEAERN CCN(CC)C(=O)CCCc1cccc(N)c1 ZINC000049826943 169745864 /nfs/dbraw/zinc/74/58/64/169745864.db2.gz GIFKMBCPUCYVDL-UHFFFAOYSA-N 0 0 234.343 2.460 10 0 BEAERN CCN(CC)C(=O)Cc1ccc(C)s1 ZINC000057031815 169750927 /nfs/dbraw/zinc/75/09/27/169750927.db2.gz SHZFVLZBQQDNHF-UHFFFAOYSA-N 0 0 211.330 2.467 10 0 BEAERN CC(=O)c1cc(C)ccc1OCCC(=O)N(C)C ZINC000037897990 166443677 /nfs/dbraw/zinc/44/36/77/166443677.db2.gz DURKJXLWRCUPCS-UHFFFAOYSA-N 0 0 249.310 2.055 10 0 BEAERN CC(=O)c1ccccc1O[C@H](C)[C@@H](C)O ZINC000087131015 166483412 /nfs/dbraw/zinc/48/34/12/166483412.db2.gz QIGQRGGSWWZDAQ-PSASIEDQSA-N 0 0 208.257 2.037 10 0 BEAERN CC(C)(C)C(=O)N1CCc2ccc(N)cc2C1 ZINC000020182803 166526446 /nfs/dbraw/zinc/52/64/46/166526446.db2.gz CVJBLXVLRKRWPW-UHFFFAOYSA-N 0 0 232.327 2.200 10 0 BEAERN COC[C@H](C)C(=O)NCCc1ccc(C)cc1C ZINC000103386830 410636665 /nfs/dbraw/zinc/63/66/65/410636665.db2.gz DYNUUSBYTLTPEQ-ZDUSSCGKSA-N 0 0 249.354 2.245 10 0 BEAERN CSc1ccnc(NC[C@@H](O)C(C)(C)C)n1 ZINC000324457071 487618116 /nfs/dbraw/zinc/61/81/16/487618116.db2.gz XDFZLNSKRSHLJN-MRVPVSSYSA-N 0 0 241.360 2.017 10 0 BEAERN CC(C)(C)Oc1nc(N2CCCC2)ccc1N ZINC000037066251 166688186 /nfs/dbraw/zinc/68/81/86/166688186.db2.gz MENUUDMQNBFXGO-UHFFFAOYSA-N 0 0 235.331 2.441 10 0 BEAERN CC(C)(C)[C@@H](O)CSC[C@@H]1CCCO1 ZINC000336679033 166699786 /nfs/dbraw/zinc/69/97/86/166699786.db2.gz FISOLNVNWZQMSR-UWVGGRQHSA-N 0 0 218.362 2.306 10 0 BEAERN CC(C)C(=O)N1c2ccc(N)cc2C[C@@H]1C ZINC000037504220 166713727 /nfs/dbraw/zinc/71/37/27/166713727.db2.gz VDDCVXAXUKKTNV-VIFPVBQESA-N 0 0 218.300 2.202 10 0 BEAERN CC(C)CC[S@@](=O)c1ccc(N)cc1 ZINC000042197094 166916046 /nfs/dbraw/zinc/91/60/46/166916046.db2.gz DJBCARYIEFIGLC-AWEZNQCLSA-N 0 0 211.330 2.423 10 0 BEAERN CC(C)C[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C ZINC000037965280 167015068 /nfs/dbraw/zinc/01/50/68/167015068.db2.gz YLMUMUBTXFIMOH-ZYHUDNBSSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)COC(=O)C(=O)c1ccccc1 ZINC000098181269 167019424 /nfs/dbraw/zinc/01/94/24/167019424.db2.gz CAHMRACQUKLCGJ-UHFFFAOYSA-N 0 0 206.241 2.069 10 0 BEAERN CC(C)[N@@H+]1CC[C@H](Nc2ccc(C(=O)[O-])cc2)C1 ZINC000045651195 167025490 /nfs/dbraw/zinc/02/54/90/167025490.db2.gz MAHNUADSUVTBTO-ZDUSSCGKSA-N 0 0 248.326 2.279 10 0 BEAERN CC(C)NC(=O)CCNc1ccc(F)cc1F ZINC000054048059 167044241 /nfs/dbraw/zinc/04/42/41/167044241.db2.gz IDWUCJBZYHKARF-UHFFFAOYSA-N 0 0 242.269 2.291 10 0 BEAERN CC(C)NC(=O)CCn1ccc2ccc(N)cc21 ZINC000054048424 167046837 /nfs/dbraw/zinc/04/68/37/167046837.db2.gz FYOHWHBJMQAHCW-UHFFFAOYSA-N 0 0 245.326 2.138 10 0 BEAERN CC(C)NC(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000020209391 167079769 /nfs/dbraw/zinc/07/97/69/167079769.db2.gz KOEUGASEEUHOQI-SECBINFHSA-N 0 0 221.304 2.236 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Sc1ccccc1N ZINC000020422227 167082610 /nfs/dbraw/zinc/08/26/10/167082610.db2.gz AJBBZPYQXALCJX-SECBINFHSA-N 0 0 238.356 2.274 10 0 BEAERN CC(C)NC(=O)c1ccc2c(c1)CCCN2 ZINC000019722837 167088523 /nfs/dbraw/zinc/08/85/23/167088523.db2.gz FDWXGIALLOKEBP-UHFFFAOYSA-N 0 0 218.300 2.183 10 0 BEAERN CC(C)[NH2+][C@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037869426 167136299 /nfs/dbraw/zinc/13/62/99/167136299.db2.gz RPESFMZVCRZMHQ-ZDUSSCGKSA-N 0 0 234.343 2.334 10 0 BEAERN CC(C)Nc1c[nH]nc1-c1ccccn1 ZINC000123688619 167141884 /nfs/dbraw/zinc/14/18/84/167141884.db2.gz JDVGBOTZSSFWQA-UHFFFAOYSA-N 0 0 202.261 2.292 10 0 BEAERN CC(C)OC(=O)c1cccnc1N[C@H]1C[C@@H]1C ZINC000302218582 167175061 /nfs/dbraw/zinc/17/50/61/167175061.db2.gz LCCIUSNHRRXQDV-ONGXEEELSA-N 0 0 234.299 2.467 10 0 BEAERN CC(C)OCC(=O)N1CCCCC[C@H]1C ZINC000122351073 167180719 /nfs/dbraw/zinc/18/07/19/167180719.db2.gz NUNNUGAFUNKBLD-LLVKDONJSA-N 0 0 213.321 2.203 10 0 BEAERN CC(C)OCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000019277294 167191138 /nfs/dbraw/zinc/19/11/38/167191138.db2.gz BRIAYIHTTPBZMH-UHFFFAOYSA-N 0 0 242.706 2.286 10 0 BEAERN CC(C)Oc1c(C=O)cncc1OC1CC1 ZINC000095719821 167284715 /nfs/dbraw/zinc/28/47/15/167284715.db2.gz PMQIEFVHDQAQJB-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1c(C=O)nccc1OC1CC1 ZINC000095725324 167285004 /nfs/dbraw/zinc/28/50/04/167285004.db2.gz GOQDCZLTSUUQSC-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1ccc(/C=C/NC=O)cc1 ZINC000169335689 167290104 /nfs/dbraw/zinc/29/01/04/167290104.db2.gz QJRLVEKCGJIGJV-BQYQJAHWSA-N 0 0 205.257 2.191 10 0 BEAERN CC(C)Oc1cncc(N[C@H]2C[C@@H]2C)n1 ZINC000123625732 167312174 /nfs/dbraw/zinc/31/21/74/167312174.db2.gz BFZOSZSJJCWYJC-IUCAKERBSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)Oc1nccc(OC2CC2)c1C=O ZINC000095723204 167314158 /nfs/dbraw/zinc/31/41/58/167314158.db2.gz VUCSZFIOIULCLW-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[NH+]1CCCCCCC1 ZINC000021515301 167345707 /nfs/dbraw/zinc/34/57/07/167345707.db2.gz NCTPRTPRAKYRJR-NSHDSACASA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)[C@H]1CCSC1 ZINC000121605366 167374646 /nfs/dbraw/zinc/37/46/46/167374646.db2.gz YTQMWAYICXVZIW-ZJUUUORDSA-N 0 0 230.377 2.178 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)CCc1ccncc1 ZINC000170673437 167375064 /nfs/dbraw/zinc/37/50/64/167375064.db2.gz UIDXSJVMBCZPAC-GFCCVEGCSA-N 0 0 249.358 2.310 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000120442935 167377264 /nfs/dbraw/zinc/37/72/64/167377264.db2.gz AYQUQPPDSKSHIS-ZYHUDNBSSA-N 0 0 248.326 2.464 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)CCN2 ZINC000036895809 167378646 /nfs/dbraw/zinc/37/86/46/167378646.db2.gz RPEMBDUXRCKQCU-SNVBAGLBSA-N 0 0 232.327 2.429 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccnc2ccncc21 ZINC000186761246 167381073 /nfs/dbraw/zinc/38/10/73/167381073.db2.gz UAEMBPXNXSUOCC-SNVBAGLBSA-N 0 0 243.310 2.404 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(CC(N)=O)cc1 ZINC000037074908 167385058 /nfs/dbraw/zinc/38/50/58/167385058.db2.gz PXYWSCNJJNAPTF-SNVBAGLBSA-N 0 0 220.316 2.171 10 0 BEAERN CC(C)[C@@H](C)Nc1cc(Cl)nc(N)n1 ZINC000082190563 167385618 /nfs/dbraw/zinc/38/56/18/167385618.db2.gz FXPCUXVOIRSOGP-ZCFIWIBFSA-N 0 0 214.700 2.169 10 0 BEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C(=O)NCCCO ZINC000033506481 167474666 /nfs/dbraw/zinc/47/46/66/167474666.db2.gz VBXWUOYNNYFRAX-AGIUHOORSA-N 0 0 241.375 2.193 10 0 BEAERN CC[NH+](CC)[C@@H](C(=O)[O-])C1CCCCC1 ZINC000037361227 169794692 /nfs/dbraw/zinc/79/46/92/169794692.db2.gz OURNZPRZJORIOE-LLVKDONJSA-N 0 0 213.321 2.362 10 0 BEAERN CN(C[C@H]1CCCCO1)c1ccccc1CO ZINC000042464737 411005866 /nfs/dbraw/zinc/00/58/66/411005866.db2.gz NBLPUJXFINXCEN-CYBMUJFWSA-N 0 0 235.327 2.184 10 0 BEAERN CC(C)c1cc(NC(=O)[C@]2(C)CCCO2)n[nH]1 ZINC000126717794 167574428 /nfs/dbraw/zinc/57/44/28/167574428.db2.gz YUKMNWFJUBXFBN-LBPRGKRZSA-N 0 0 237.303 2.041 10 0 BEAERN C[C@@H](N[C@H]1C[C@@H](C)OC1=O)c1cccc(F)c1 ZINC000107571167 411137066 /nfs/dbraw/zinc/13/70/66/411137066.db2.gz FTDUALZIQLEKSG-LNLATYFQSA-N 0 0 237.274 2.180 10 0 BEAERN CC(C)c1nn(C)c(N)c1-c1ccncc1 ZINC000077327073 167699906 /nfs/dbraw/zinc/69/99/06/167699906.db2.gz ZJDRXOWXUSUQFW-UHFFFAOYSA-N 0 0 216.288 2.188 10 0 BEAERN CN(CC1CCC1)c1ccccc1CO ZINC000061479632 411162436 /nfs/dbraw/zinc/16/24/36/411162436.db2.gz HTVPSHGPAORSIL-UHFFFAOYSA-N 0 0 205.301 2.415 10 0 BEAERN CCC[C@H](C)NC(=O)N1CCS[C@@H](C)C1 ZINC000590951567 411122958 /nfs/dbraw/zinc/12/29/58/411122958.db2.gz YYGLUCOOPAKPPH-UWVGGRQHSA-N 0 0 230.377 2.322 10 0 BEAERN O=c1[nH]c(CNc2ccnc(Cl)c2)cs1 ZINC000231713899 411185780 /nfs/dbraw/zinc/18/57/80/411185780.db2.gz HOWUTHJDAHOQJX-UHFFFAOYSA-N 0 0 241.703 2.097 10 0 BEAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000246387035 411205811 /nfs/dbraw/zinc/20/58/11/411205811.db2.gz UXULUHZVLWLCGD-NZPIUUIZSA-N 0 0 245.322 2.323 10 0 BEAERN CC(C)c1cccc([C@@H]2COCC2=O)c1 ZINC000521400705 411211782 /nfs/dbraw/zinc/21/17/82/411211782.db2.gz OGVKKSQMOZJOIK-LBPRGKRZSA-N 0 0 204.269 2.493 10 0 BEAERN CCC(CC)NC(=O)NCc1cccc(C)n1 ZINC000048849960 411217658 /nfs/dbraw/zinc/21/76/58/411217658.db2.gz IRBJZWDAGDDCAL-UHFFFAOYSA-N 0 0 235.331 2.378 10 0 BEAERN CCc1cc(NC(=O)c2cccc(OC)c2)n[nH]1 ZINC000049138884 411226068 /nfs/dbraw/zinc/22/60/68/411226068.db2.gz PXGDUSOKFFEJDX-UHFFFAOYSA-N 0 0 245.282 2.233 10 0 BEAERN CCc1cc(NC(=O)c2ccc(OC)cc2)n[nH]1 ZINC000049138853 411226198 /nfs/dbraw/zinc/22/61/98/411226198.db2.gz IFCLMSNTZWANFH-UHFFFAOYSA-N 0 0 245.282 2.233 10 0 BEAERN CCc1cc(NC(=O)c2ccccc2F)n[nH]1 ZINC000049138857 411226661 /nfs/dbraw/zinc/22/66/61/411226661.db2.gz XRGUGBTXHIXVEH-UHFFFAOYSA-N 0 0 233.246 2.364 10 0 BEAERN CCN(C(=O)Nc1nncs1)[C@@H](C)C(C)C ZINC000049395699 411233078 /nfs/dbraw/zinc/23/30/78/411233078.db2.gz UZTSVFZEQJCRMD-QMMMGPOBSA-N 0 0 242.348 2.436 10 0 BEAERN Oc1c[nH]c2cc(Br)ccc12 ZINC000238017535 411277849 /nfs/dbraw/zinc/27/78/49/411277849.db2.gz OWYSVEDQOBNXQY-UHFFFAOYSA-N 0 0 212.046 2.057 10 0 BEAERN O=C1NCCc2c3cc(F)ccc3sc21 ZINC000144700991 411281803 /nfs/dbraw/zinc/28/18/03/411281803.db2.gz IEEXEGVMYOHEOZ-UHFFFAOYSA-N 0 0 221.256 2.326 10 0 BEAERN CC1(C)CC(C(=O)N2CCCC[C@H](CO)C2)C1 ZINC000367623650 167885404 /nfs/dbraw/zinc/88/54/04/167885404.db2.gz IDYJNKRUWXYWNX-NSHDSACASA-N 0 0 239.359 2.044 10 0 BEAERN CC1(C)CC[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304197399 411352315 /nfs/dbraw/zinc/35/23/15/411352315.db2.gz XQYYWBMIMBNNIS-UHFFFAOYSA-N 0 0 234.299 2.012 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@@H](O)C(C)C)n1 ZINC000125203550 411353259 /nfs/dbraw/zinc/35/32/59/411353259.db2.gz OLPHEYKTVLHZNP-GFCCVEGCSA-N 0 0 237.347 2.337 10 0 BEAERN CC1(C)CNC(=O)c2cccc(Cl)c21 ZINC000057496032 167967488 /nfs/dbraw/zinc/96/74/88/167967488.db2.gz DVZRNRQOQCNJCM-UHFFFAOYSA-N 0 0 209.676 2.361 10 0 BEAERN CC1(CNc2ccc(N3CCCC3)nc2)COC1 ZINC000227521615 168048314 /nfs/dbraw/zinc/04/83/14/168048314.db2.gz CGPGVKCUKZHYEV-UHFFFAOYSA-N 0 0 247.342 2.130 10 0 BEAERN CC1(CCNc2ccc(Cl)cn2)OCCO1 ZINC000302180673 168022476 /nfs/dbraw/zinc/02/24/76/168022476.db2.gz ZGVHLPQBGADXFR-UHFFFAOYSA-N 0 0 242.706 2.300 10 0 BEAERN CC1(CNC(=O)[C@H]2CCCn3ccnc32)CCC1 ZINC000175130911 168036921 /nfs/dbraw/zinc/03/69/21/168036921.db2.gz HYPPFKPBAFKHEA-NSHDSACASA-N 0 0 247.342 2.067 10 0 BEAERN CC1(NC(=O)c2ccccc2N)CCCC1 ZINC000042175912 168061710 /nfs/dbraw/zinc/06/17/10/168061710.db2.gz QVEQZYTUQZDLEV-UHFFFAOYSA-N 0 0 218.300 2.331 10 0 BEAERN CC1(NC(=O)c2sccc2N)CCCC1 ZINC000042176070 168062974 /nfs/dbraw/zinc/06/29/74/168062974.db2.gz QHRWCGHTOCRGNR-UHFFFAOYSA-N 0 0 224.329 2.393 10 0 BEAERN CC1(Nc2ncnc(Cl)c2N)CCCC1 ZINC000062363133 168065095 /nfs/dbraw/zinc/06/50/95/168065095.db2.gz VVQKVWPRGSKFBZ-UHFFFAOYSA-N 0 0 226.711 2.457 10 0 BEAERN CC1=C(C(=O)N2C[C@H]3CCC[C@H]32)CCC1 ZINC000336317911 168076868 /nfs/dbraw/zinc/07/68/68/168076868.db2.gz PGECLXGTFWGBLZ-ZYHUDNBSSA-N 0 0 205.301 2.498 10 0 BEAERN CC1=C(c2ccc(O)cc2)CCC(=O)N1 ZINC000039438663 168088791 /nfs/dbraw/zinc/08/87/91/168088791.db2.gz XEFDEKYXIJOWOM-UHFFFAOYSA-N 0 0 203.241 2.033 10 0 BEAERN CC1=CC(=O)N[C@@H](Cc2ccccc2)S1 ZINC000196406592 168092672 /nfs/dbraw/zinc/09/26/72/168092672.db2.gz ITNLCTBUDUYMLB-GFCCVEGCSA-N 0 0 219.309 2.322 10 0 BEAERN CC1=CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000270342093 168106653 /nfs/dbraw/zinc/10/66/53/168106653.db2.gz NWXJMRMTNVSIQY-NSHDSACASA-N 0 0 210.321 2.393 10 0 BEAERN CC1=NN(CCOc2ccccc2)C(=O)CC1 ZINC000098180059 168134690 /nfs/dbraw/zinc/13/46/90/168134690.db2.gz STOCJHWLJASSTI-UHFFFAOYSA-N 0 0 232.283 2.064 10 0 BEAERN CC1CCC(CO)(Nc2ccccn2)CC1 ZINC000053109679 168156226 /nfs/dbraw/zinc/15/62/26/168156226.db2.gz FKGDPAFJRBMIEM-UHFFFAOYSA-N 0 0 220.316 2.435 10 0 BEAERN CC1CCC(C[NH2+][C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 ZINC000310388875 168156505 /nfs/dbraw/zinc/15/65/05/168156505.db2.gz ILHNYAGCUGWSHJ-IFWUJCSASA-N 0 0 237.343 2.432 10 0 BEAERN CC1CCC(C[NH2+][C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1 ZINC000310388874 168156805 /nfs/dbraw/zinc/15/68/05/168156805.db2.gz ILHNYAGCUGWSHJ-FIYWTHMPSA-N 0 0 237.343 2.432 10 0 BEAERN CC1CCC(CO)(Nc2nccs2)CC1 ZINC000053109913 168156937 /nfs/dbraw/zinc/15/69/37/168156937.db2.gz MPHRWGSBNUZYAL-UHFFFAOYSA-N 0 0 226.345 2.496 10 0 BEAERN CC1CCC(Nc2cn[nH]c(=O)c2Cl)CC1 ZINC000029165298 168165961 /nfs/dbraw/zinc/16/59/61/168165961.db2.gz WEVXDILREJETGC-UHFFFAOYSA-N 0 0 241.722 2.414 10 0 BEAERN CC1CCN(C(=O)CCc2cccc(N)c2)CC1 ZINC000020186906 168170843 /nfs/dbraw/zinc/17/08/43/168170843.db2.gz NIHFTIOLAVDEOQ-UHFFFAOYSA-N 0 0 246.354 2.460 10 0 BEAERN C[C@@H]1CN(C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000127546759 168173070 /nfs/dbraw/zinc/17/30/70/168173070.db2.gz UNSQMTQXTDINCG-VXGBXAGGSA-N 0 0 224.348 2.426 10 0 BEAERN CC1CCN(C(=O)c2sccc2N)CC1 ZINC000040292045 168177463 /nfs/dbraw/zinc/17/74/63/168177463.db2.gz ONKNRRUEWICZDL-UHFFFAOYSA-N 0 0 224.329 2.202 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616615297 411389955 /nfs/dbraw/zinc/38/99/55/411389955.db2.gz UYTPSNVGJWVGRY-CQSZACIVSA-N 0 0 233.311 2.252 10 0 BEAERN CCC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000115224342 168212626 /nfs/dbraw/zinc/21/26/26/168212626.db2.gz JBGCDDTZDCCESS-SNVBAGLBSA-N 0 0 206.289 2.401 10 0 BEAERN CCC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000120896491 168221803 /nfs/dbraw/zinc/22/18/03/168221803.db2.gz NENNGRPVAKFBID-SNVBAGLBSA-N 0 0 225.313 2.058 10 0 BEAERN CCC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000041423766 168226993 /nfs/dbraw/zinc/22/69/93/168226993.db2.gz WCVHUPSRFFXLDA-AAEUAGOBSA-N 0 0 233.311 2.385 10 0 BEAERN CCC(=O)NCC[C@H]1CNc2ccccc21 ZINC000019436179 168229813 /nfs/dbraw/zinc/22/98/13/168229813.db2.gz FCEKSWLMLGEVLY-JTQLQIEISA-N 0 0 218.300 2.112 10 0 BEAERN CCC(=O)N[C@H]1CCC(=O)c2ccccc21 ZINC000040834273 168240480 /nfs/dbraw/zinc/24/04/80/168240480.db2.gz RLOCUJGVHXZSFK-NSHDSACASA-N 0 0 217.268 2.230 10 0 BEAERN CCC(=O)Nc1cccc(N[C@H]2CCOC2)c1 ZINC000104067608 168245163 /nfs/dbraw/zinc/24/51/63/168245163.db2.gz WFLFTFLOZBQNEP-LBPRGKRZSA-N 0 0 234.299 2.236 10 0 BEAERN CCC(=O)Nc1cccc(N[C@@H]2CCOC2)c1 ZINC000104067604 168245909 /nfs/dbraw/zinc/24/59/09/168245909.db2.gz WFLFTFLOZBQNEP-GFCCVEGCSA-N 0 0 234.299 2.236 10 0 BEAERN CCC(=O)Oc1ccc2nc(CC)oc(=O)c2c1 ZINC000001476138 168251184 /nfs/dbraw/zinc/25/11/84/168251184.db2.gz DVJHFAPTPMHSQR-UHFFFAOYSA-N 0 0 247.250 2.066 10 0 BEAERN CCC(=O)c1ccc(-n2sccc2=O)cc1 ZINC000090412531 168254668 /nfs/dbraw/zinc/25/46/68/168254668.db2.gz ADSJOGAXDRIAFM-UHFFFAOYSA-N 0 0 233.292 2.492 10 0 BEAERN CCC(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000036220377 168257963 /nfs/dbraw/zinc/25/79/63/168257963.db2.gz HSHULNOIEDSBFV-UHFFFAOYSA-N 0 0 217.268 2.188 10 0 BEAERN CCC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000340274772 168274953 /nfs/dbraw/zinc/27/49/53/168274953.db2.gz HGIGDFLIQDCXJJ-NWDGAFQWSA-N 0 0 241.375 2.480 10 0 BEAERN CCC(C)(C)NC(=O)COc1ccc(O)cc1 ZINC000049282181 168291942 /nfs/dbraw/zinc/29/19/42/168291942.db2.gz BRRYKJXIWQSVKO-UHFFFAOYSA-N 0 0 237.299 2.076 10 0 BEAERN CCC(C)(CC)NC(=O)CCc1nc(C)no1 ZINC000112828127 168307581 /nfs/dbraw/zinc/30/75/81/168307581.db2.gz DYGZQEJBSUKRCJ-UHFFFAOYSA-N 0 0 239.319 2.006 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CCCOC1 ZINC000112828598 168308906 /nfs/dbraw/zinc/30/89/06/168308906.db2.gz VKDDBZRKQADTHZ-SNVBAGLBSA-N 0 0 213.321 2.108 10 0 BEAERN Cc1cc(C(C)C)nc(NCC[C@@H](C)O)n1 ZINC000122473676 411433374 /nfs/dbraw/zinc/43/33/74/411433374.db2.gz CIVQQNFTVMLKJK-SNVBAGLBSA-N 0 0 223.320 2.091 10 0 BEAERN COC(=O)/C(C#N)=C/c1cc(C)cnc1Cl ZINC000222779729 411445292 /nfs/dbraw/zinc/44/52/92/411445292.db2.gz DJRNWHGDELWCSA-RUDMXATFSA-N 0 0 236.658 2.123 10 0 BEAERN CCN(Cc1cccc(N)c1)C(=O)NC(C)C ZINC000035364229 169911916 /nfs/dbraw/zinc/91/19/16/169911916.db2.gz GEXFKLPZSJAEHV-UHFFFAOYSA-N 0 0 235.331 2.209 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cnc(C)n2C)o1 ZINC000657293304 411450202 /nfs/dbraw/zinc/45/02/02/411450202.db2.gz ZIOWFRHCFKIKHB-SNVBAGLBSA-N 0 0 233.315 2.481 10 0 BEAERN CCN(Cc1ccccc1)C(=O)[C@H](C)COC ZINC000103357293 169914380 /nfs/dbraw/zinc/91/43/80/169914380.db2.gz WETUPZDEHHXNNE-GFCCVEGCSA-N 0 0 235.327 2.318 10 0 BEAERN Cc1c[nH]c(CN[C@H](C)c2ccc(C)o2)n1 ZINC000657292800 411453287 /nfs/dbraw/zinc/45/32/87/411453287.db2.gz TYGCGMXUVJAHCX-SNVBAGLBSA-N 0 0 219.288 2.470 10 0 BEAERN Cc1c[nH]c(CN[C@H]2CCc3ccccc32)n1 ZINC000657296714 411454794 /nfs/dbraw/zinc/45/47/94/411454794.db2.gz KONZVSZUSWUXSF-ZDUSSCGKSA-N 0 0 227.311 2.495 10 0 BEAERN CCN(Cc1cccs1)C(=O)[C@@H](C)COC ZINC000103361078 169922125 /nfs/dbraw/zinc/92/21/25/169922125.db2.gz NJNUAQCKBLGYIU-JTQLQIEISA-N 0 0 241.356 2.379 10 0 BEAERN CCN(c1c(F)cc(N)cc1F)[C@H](C)COC ZINC000042740306 169941383 /nfs/dbraw/zinc/94/13/83/169941383.db2.gz JJLXCMYLHQWTCD-MRVPVSSYSA-N 0 0 244.285 2.408 10 0 BEAERN O[C@H]1CCc2cc(OC(F)F)ccc21 ZINC000232419727 411498876 /nfs/dbraw/zinc/49/88/76/411498876.db2.gz VNMQPUGMUNKMHC-VIFPVBQESA-N 0 0 200.184 2.268 10 0 BEAERN CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)O1 ZINC000659920936 411499084 /nfs/dbraw/zinc/49/90/84/411499084.db2.gz XYJDAOLZEGLXAA-AAVRWANBSA-N 0 0 241.375 2.037 10 0 BEAERN CCN1C[C@H](C)C(=O)N(c2ccccc2)C1=O ZINC000061221200 170034142 /nfs/dbraw/zinc/03/41/42/170034142.db2.gz OATNVWONVSTOGS-JTQLQIEISA-N 0 0 232.283 2.111 10 0 BEAERN CCNC(=O)CSc1ccc(N)cc1Cl ZINC000037205033 170069897 /nfs/dbraw/zinc/06/98/97/170069897.db2.gz KIWGGEGWUVOKKI-UHFFFAOYSA-N 0 0 244.747 2.150 10 0 BEAERN CCNC(=O)Cn1c2ccccc2nc1C(C)C ZINC000040295692 170070670 /nfs/dbraw/zinc/07/06/70/170070670.db2.gz OOGKFLNBODCLGZ-UHFFFAOYSA-N 0 0 245.326 2.296 10 0 BEAERN CCNC(=O)Cn1c2ccccc2nc1C1CC1 ZINC000040295978 170071036 /nfs/dbraw/zinc/07/10/36/170071036.db2.gz PDLBNGSICPELMV-UHFFFAOYSA-N 0 0 243.310 2.050 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061095989 170089432 /nfs/dbraw/zinc/08/94/32/170089432.db2.gz IGFZSFGPCNVPFB-ZCFIWIBFSA-N 0 0 246.232 2.040 10 0 BEAERN CCNC(=O)[C@@H](C)Oc1ccc(C(=O)CC)cc1 ZINC000020306893 170089801 /nfs/dbraw/zinc/08/98/01/170089801.db2.gz XKMOXGRNZVOUOS-SNVBAGLBSA-N 0 0 249.310 2.183 10 0 BEAERN CCNC(=O)[C@H](C)Nc1cccc(OCC)c1 ZINC000049565945 170096619 /nfs/dbraw/zinc/09/66/19/170096619.db2.gz CAGHRKYDLYSQIE-JTQLQIEISA-N 0 0 236.315 2.022 10 0 BEAERN CCNC(=O)c1ccc(N)c(OC2CCCC2)c1 ZINC000103959280 170101911 /nfs/dbraw/zinc/10/19/11/170101911.db2.gz QJVMLXXBOYJUAH-UHFFFAOYSA-N 0 0 248.326 2.340 10 0 BEAERN CCNC(=O)c1cccc(-c2ccc(O)cn2)c1 ZINC000065356023 170103867 /nfs/dbraw/zinc/10/38/67/170103867.db2.gz WAXOVWOPHZXRDI-UHFFFAOYSA-N 0 0 242.278 2.204 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000037742824 170137645 /nfs/dbraw/zinc/13/76/45/170137645.db2.gz NKYBGWSSEYUEDV-GFCCVEGCSA-N 0 0 237.299 2.209 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1ccccc1Cl ZINC000037181936 170138486 /nfs/dbraw/zinc/13/84/86/170138486.db2.gz YRGUDAYXEJOJQV-SECBINFHSA-N 0 0 213.664 2.075 10 0 BEAERN CCN[C@H](c1cccs1)c1ncccn1 ZINC000040237968 170149881 /nfs/dbraw/zinc/14/98/81/170149881.db2.gz PEOFNUSUMJJDPM-SNVBAGLBSA-N 0 0 219.313 2.237 10 0 BEAERN CCN[C@@H](c1ccsc1)c1nccn1C ZINC000041048671 170149919 /nfs/dbraw/zinc/14/99/19/170149919.db2.gz BNXIUJAKANRVCI-JTQLQIEISA-N 0 0 221.329 2.181 10 0 BEAERN CC[NH2+][C@@]1(C(=O)[O-])CCSc2ccccc21 ZINC000037181573 170154906 /nfs/dbraw/zinc/15/49/06/170154906.db2.gz VQQHYGIMVKUXFF-LBPRGKRZSA-N 0 0 237.324 2.072 10 0 BEAERN CCN[C@@](C)(C(=O)OCC)c1ccc(F)cc1 ZINC000037447062 170155049 /nfs/dbraw/zinc/15/50/49/170155049.db2.gz WIAMQURRFHZGFL-CYBMUJFWSA-N 0 0 239.290 2.214 10 0 BEAERN CC[NH2+][C@@H]1c2cc(F)cc(F)c2O[C@@H]1C ZINC000043633992 170155307 /nfs/dbraw/zinc/15/53/07/170155307.db2.gz ROERELUNIAYFDG-LDWIPMOCSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@@H]1c2cccc(OC)c2O[C@H]1C ZINC000043633336 170155311 /nfs/dbraw/zinc/15/53/11/170155311.db2.gz ILSHZDCFJHPWAH-KWQFWETISA-N 0 0 207.273 2.127 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000037181864 170156589 /nfs/dbraw/zinc/15/65/89/170156589.db2.gz AWCFERALTOYZQO-VIFPVBQESA-N 0 0 213.664 2.075 10 0 BEAERN CCN[C@]1(C(=O)OC)C[C@H](C)CC(C)(C)C1 ZINC000037446812 170170827 /nfs/dbraw/zinc/17/08/27/170170827.db2.gz XKYGWQYMCXBNBN-ZWNOBZJWSA-N 0 0 227.348 2.354 10 0 BEAERN CCNc1cc(C(C)(C)C)nc(CCOC)n1 ZINC000050850694 170171031 /nfs/dbraw/zinc/17/10/31/170171031.db2.gz KZWTWCQSCVWQFY-UHFFFAOYSA-N 0 0 237.347 2.395 10 0 BEAERN CCNc1cc(C(=O)NC(C)C)cc(Cl)n1 ZINC000050725038 170171178 /nfs/dbraw/zinc/17/11/78/170171178.db2.gz BPLHNQBFRLHRCM-UHFFFAOYSA-N 0 0 241.722 2.305 10 0 BEAERN CCNc1cc(C)nc(-c2c(C)nn(C)c2C)n1 ZINC000050864642 170172448 /nfs/dbraw/zinc/17/24/48/170172448.db2.gz HJSQGLKDMHFUPF-UHFFFAOYSA-N 0 0 245.330 2.234 10 0 BEAERN CCNc1ccc(-c2cc(OC)ccc2O)nn1 ZINC000054931177 170172909 /nfs/dbraw/zinc/17/29/09/170172909.db2.gz RIFYKDLMBGQXGY-UHFFFAOYSA-N 0 0 245.282 2.290 10 0 BEAERN CCNc1cc(OCC)nc(C(C)C)n1 ZINC000082482828 170173044 /nfs/dbraw/zinc/17/30/44/170173044.db2.gz YTWSMOZMCVVADR-UHFFFAOYSA-N 0 0 209.293 2.431 10 0 BEAERN CCNc1ccc(CN2CCSCC2)cn1 ZINC000050791867 170173439 /nfs/dbraw/zinc/17/34/39/170173439.db2.gz XASULYSOMHLYRB-UHFFFAOYSA-N 0 0 237.372 2.062 10 0 BEAERN CCNc1ccc(C(N)=S)c(Cl)c1 ZINC000061848828 170173642 /nfs/dbraw/zinc/17/36/42/170173642.db2.gz ISJKJCZROFREOC-UHFFFAOYSA-N 0 0 214.721 2.406 10 0 BEAERN CCNc1ccc(Cl)c(C(=O)NC(C)C)n1 ZINC000050725034 170173689 /nfs/dbraw/zinc/17/36/89/170173689.db2.gz QXAPABYDLJDGFD-UHFFFAOYSA-N 0 0 241.722 2.305 10 0 BEAERN CCNc1ccc(NC(C)=O)c(OC)c1 ZINC000036919363 170174179 /nfs/dbraw/zinc/17/41/79/170174179.db2.gz PTGHSYOUPDCMNE-UHFFFAOYSA-N 0 0 208.261 2.085 10 0 BEAERN CCNc1nc(-c2ccc(F)cc2)no1 ZINC000053750301 170175378 /nfs/dbraw/zinc/17/53/78/170175378.db2.gz KYZBFGSYYGJZSW-UHFFFAOYSA-N 0 0 207.208 2.308 10 0 BEAERN CCNc1ccnc(N2CCCCCC2)n1 ZINC000050863826 170175412 /nfs/dbraw/zinc/17/54/12/170175412.db2.gz MCNPPHCCTMRNDO-UHFFFAOYSA-N 0 0 220.320 2.289 10 0 BEAERN CCNc1ccnc(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000050726380 170175454 /nfs/dbraw/zinc/17/54/54/170175454.db2.gz NJBIIFSWFYKLFT-LLVKDONJSA-N 0 0 247.342 2.386 10 0 BEAERN CCNc1nc(CSC)nc(C)c1C ZINC000054497232 170176056 /nfs/dbraw/zinc/17/60/56/170176056.db2.gz JDYSWPLOBGGNPE-UHFFFAOYSA-N 0 0 211.334 2.388 10 0 BEAERN CCNc1nc(C(=O)N[C@H](C)C(C)C)cs1 ZINC000176952054 170176330 /nfs/dbraw/zinc/17/63/30/170176330.db2.gz RGMRLLRAKXDIQR-MRVPVSSYSA-N 0 0 241.360 2.349 10 0 BEAERN CCNc1nc(CC)nc2c1CCCC2 ZINC000050852285 170176439 /nfs/dbraw/zinc/17/64/39/170176439.db2.gz INUOHPFWFLEDFI-UHFFFAOYSA-N 0 0 205.305 2.350 10 0 BEAERN CCNc1nc([C@H]2CCOC2)nc(C)c1CC ZINC000051691594 170176918 /nfs/dbraw/zinc/17/69/18/170176918.db2.gz LSXWRTDWAGXGPJ-JTQLQIEISA-N 0 0 235.331 2.283 10 0 BEAERN CCNc1ncccc1Cn1ccnc1C ZINC000052732155 170178059 /nfs/dbraw/zinc/17/80/59/170178059.db2.gz YIASYSLXPYOOHQ-UHFFFAOYSA-N 0 0 216.288 2.067 10 0 BEAERN CCNc1ncnc2c1cnn2[C@@H](C)CC ZINC000062367254 170178064 /nfs/dbraw/zinc/17/80/64/170178064.db2.gz ASXPYEZKXLZJEQ-QMMMGPOBSA-N 0 0 219.292 2.229 10 0 BEAERN CCNc1ncccc1C(=O)N[C@@H]1CCC[C@H]1C ZINC000104152072 170178402 /nfs/dbraw/zinc/17/84/02/170178402.db2.gz LGUBPEYSGALGGE-ZYHUDNBSSA-N 0 0 247.342 2.432 10 0 BEAERN CCOC(=N)[C@H](O)c1ccccc1Cl ZINC000039135029 170180043 /nfs/dbraw/zinc/18/00/43/170180043.db2.gz BMEBLMVVWQKBNO-SECBINFHSA-N 0 0 213.664 2.387 10 0 BEAERN CCOC(=N)[C@H](O)c1cc(Cl)ccc1OC ZINC000039392954 170180313 /nfs/dbraw/zinc/18/03/13/170180313.db2.gz YHECVHYFKOQRAS-SNVBAGLBSA-N 0 0 243.690 2.396 10 0 BEAERN CCOC(=N)[C@H](O)c1cc(OC)cc(F)c1C ZINC000039135037 170180500 /nfs/dbraw/zinc/18/05/00/170180500.db2.gz OEIQYKQBEYFVCD-LLVKDONJSA-N 0 0 241.262 2.190 10 0 BEAERN CCOC(=O)C(C)(C)NCc1cccc(C)c1 ZINC000102826511 170187102 /nfs/dbraw/zinc/18/71/02/170187102.db2.gz SYXRACNZHALEBJ-UHFFFAOYSA-N 0 0 235.327 2.426 10 0 BEAERN CCOC(=O)C1(NCC(F)(F)F)CCCC1 ZINC000037973734 170190236 /nfs/dbraw/zinc/19/02/36/170190236.db2.gz JJPDDVABWJIOCW-UHFFFAOYSA-N 0 0 239.237 2.014 10 0 BEAERN CCOC(=O)C1=C(C)O[C@H]2C=CCC[C@@H]12 ZINC000039105689 170191483 /nfs/dbraw/zinc/19/14/83/170191483.db2.gz LVGWHOVCXNYTGP-ZJUUUORDSA-N 0 0 208.257 2.189 10 0 BEAERN CCOC(=O)CCNc1cccc(Cl)n1 ZINC000073734716 170209867 /nfs/dbraw/zinc/20/98/67/170209867.db2.gz JUHLXBSJVHBQBI-UHFFFAOYSA-N 0 0 228.679 2.100 10 0 BEAERN CCOC(=O)CCNc1ccc(C)cc1 ZINC000036984770 170210035 /nfs/dbraw/zinc/21/00/35/170210035.db2.gz BGPSPHIGDXIGRM-UHFFFAOYSA-N 0 0 207.273 2.360 10 0 BEAERN CCOC(=O)CNC1CC(c2ccccc2)C1 ZINC000037563804 170225170 /nfs/dbraw/zinc/22/51/70/170225170.db2.gz LKFZIRCXDZGNCR-UHFFFAOYSA-N 0 0 233.311 2.085 10 0 BEAERN CCOC(=O)CNCc1ccc(C(C)C)cc1 ZINC000037563511 170225684 /nfs/dbraw/zinc/22/56/84/170225684.db2.gz FFAKSIIUHQZPKS-UHFFFAOYSA-N 0 0 235.327 2.463 10 0 BEAERN CCOC(=O)CN[C@H](C)CCc1ccccc1 ZINC000037394067 170226685 /nfs/dbraw/zinc/22/66/85/170226685.db2.gz BGZFPZOLJIAMEE-GFCCVEGCSA-N 0 0 235.327 2.160 10 0 BEAERN CCOC(=O)Cc1cc(C)cnc1Cl ZINC000095763964 170235200 /nfs/dbraw/zinc/23/52/00/170235200.db2.gz ZGGZNSDQIYVEMZ-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)N1CCC(Nc2cc[nH+]cc2)CC1 ZINC000021802370 170239326 /nfs/dbraw/zinc/23/93/26/170239326.db2.gz CTPDSERTUMBYKU-UHFFFAOYSA-N 0 0 249.314 2.114 10 0 BEAERN CCOC(=O)N1CCc2ccccc2C1 ZINC000006046905 170240313 /nfs/dbraw/zinc/24/03/13/170240313.db2.gz AQABDZPUVCVIRT-UHFFFAOYSA-N 0 0 205.257 2.201 10 0 BEAERN CCOC(=O)N1c2ccc(N)cc2C[C@H]1C ZINC000036744418 170241049 /nfs/dbraw/zinc/24/10/49/170241049.db2.gz WSDLAFUFOKDWLU-MRVPVSSYSA-N 0 0 220.272 2.176 10 0 BEAERN CCOC(=O)N[C@@H](C)c1ccccc1N ZINC000037179019 170242450 /nfs/dbraw/zinc/24/24/50/170242450.db2.gz WDXNJDURSRAHEO-QMMMGPOBSA-N 0 0 208.261 2.076 10 0 BEAERN CCOC(=O)[C@@H](C(=O)Cc1ccccc1)C1CC1 ZINC000095803868 170245527 /nfs/dbraw/zinc/24/55/27/170245527.db2.gz LYPYTYDZQSVGLP-CQSZACIVSA-N 0 0 246.306 2.388 10 0 BEAERN CCOC(=O)[C@@H](C)N(C)c1ccc(C)cc1 ZINC000255187633 170246689 /nfs/dbraw/zinc/24/66/89/170246689.db2.gz FTLOJJPHBCZEQK-LLVKDONJSA-N 0 0 221.300 2.383 10 0 BEAERN CCOC(=O)[C@@H](C)Oc1cc(F)ccc1F ZINC000070819590 170247992 /nfs/dbraw/zinc/24/79/92/170247992.db2.gz NVRGAUHJNWSEBT-SSDOTTSWSA-N 0 0 230.210 2.295 10 0 BEAERN CCOC(=O)[C@@H](C)Oc1ccc([C@@H](C)O)cc1 ZINC000049955219 170248004 /nfs/dbraw/zinc/24/80/04/170248004.db2.gz FTEPLVBNMRZMCR-NXEZZACHSA-N 0 0 238.283 2.070 10 0 BEAERN CCOC(=O)[C@@H](Nc1ccccc1)[C@H]1CCOC1 ZINC000037954280 170255619 /nfs/dbraw/zinc/25/56/19/170255619.db2.gz YFPFDNUHRDJBPM-AAEUAGOBSA-N 0 0 249.310 2.067 10 0 BEAERN CCOC(=O)[C@@H](NC1CC1)c1cccc(C)c1 ZINC000037514430 170255791 /nfs/dbraw/zinc/25/57/91/170255791.db2.gz NPJAWOQMGXNGAA-ZDUSSCGKSA-N 0 0 233.311 2.351 10 0 BEAERN CCOC(=O)[C@@H](O)c1cc(Cl)ccc1F ZINC000075903418 170256192 /nfs/dbraw/zinc/25/61/92/170256192.db2.gz FAZWSXLODJMPDP-VIFPVBQESA-N 0 0 232.638 2.076 10 0 BEAERN CCOC(=O)[C@@](C)(N)c1ccc(C)cc1C ZINC000037459860 170260928 /nfs/dbraw/zinc/26/09/28/170260928.db2.gz KHXUGPJJENRXCJ-ZDUSSCGKSA-N 0 0 221.300 2.040 10 0 BEAERN CCOC(=O)[C@@]1(NCC2CC2)CCC[C@H](C)C1 ZINC000037968027 170263302 /nfs/dbraw/zinc/26/33/02/170263302.db2.gz RCIRRBPFTIQMNK-SMDDNHRTSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)[C@@]1(NCC2CC2)CCCC[C@@H]1C ZINC000037968019 170263627 /nfs/dbraw/zinc/26/36/27/170263627.db2.gz SXDYVQQWDHXNOI-SMDDNHRTSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)[C@H](C)NCCCc1ccccc1 ZINC000049370183 170267509 /nfs/dbraw/zinc/26/75/09/170267509.db2.gz DWHQVLLOQZVGEU-LBPRGKRZSA-N 0 0 235.327 2.160 10 0 BEAERN CCOC(=O)[C@H](C)N[C@H]1CCc2ccccc21 ZINC000034066786 170268160 /nfs/dbraw/zinc/26/81/60/170268160.db2.gz QSYFKNULUJGLOG-GWCFXTLKSA-N 0 0 233.311 2.215 10 0 BEAERN CCOC(=O)[C@H](C)Nc1ccc(F)c(F)c1F ZINC000043637597 170268958 /nfs/dbraw/zinc/26/89/58/170268958.db2.gz FKRFYZSIKJXFKE-LURJTMIESA-N 0 0 247.216 2.467 10 0 BEAERN CCOC(=O)[C@H](O)c1ccc(F)c(Cl)c1 ZINC000076162388 170278133 /nfs/dbraw/zinc/27/81/33/170278133.db2.gz SJDUWUFMYCTKCR-SECBINFHSA-N 0 0 232.638 2.076 10 0 BEAERN CCOC(=O)[C@](C)(N)c1cccc(Cl)c1 ZINC000037459894 170283367 /nfs/dbraw/zinc/28/33/67/170283367.db2.gz AGXIGEHOKQCRAA-LLVKDONJSA-N 0 0 227.691 2.077 10 0 BEAERN CCOC(=O)[C@](C)(N)c1ccccc1Cl ZINC000037459879 170284312 /nfs/dbraw/zinc/28/43/12/170284312.db2.gz SJAILYOFADVCAK-LLVKDONJSA-N 0 0 227.691 2.077 10 0 BEAERN CCOC(=O)[C@]1(NCC2CC2)CCC[C@H](C)C1 ZINC000037968026 170286874 /nfs/dbraw/zinc/28/68/74/170286874.db2.gz RCIRRBPFTIQMNK-FZMZJTMJSA-N 0 0 239.359 2.498 10 0 BEAERN CCOC(=O)c1c(C)[nH]c(C(=O)CC)c1C ZINC000000493913 170287332 /nfs/dbraw/zinc/28/73/32/170287332.db2.gz NQOVWEMYSAIOBA-UHFFFAOYSA-N 0 0 223.272 2.401 10 0 BEAERN CCOC(=O)c1c(N)onc1-c1ccc(C)cc1 ZINC000019948272 170287551 /nfs/dbraw/zinc/28/75/51/170287551.db2.gz GWCUBJKGBLBAAS-UHFFFAOYSA-N 0 0 246.266 2.409 10 0 BEAERN CCOC(=O)c1c(C)oc2ncnc(Cl)c21 ZINC000049454381 170288110 /nfs/dbraw/zinc/28/81/10/170288110.db2.gz KYICZZMHFVEKKR-UHFFFAOYSA-N 0 0 240.646 2.361 10 0 BEAERN CCOC(=O)c1c[nH]nc1NCc1ccccc1 ZINC000082058257 170289691 /nfs/dbraw/zinc/28/96/91/170289691.db2.gz NLXHZFGYYJHXJX-UHFFFAOYSA-N 0 0 245.282 2.199 10 0 BEAERN CCOC(=O)c1cc(C)n2c1CCCC2 ZINC000140262623 170291246 /nfs/dbraw/zinc/29/12/46/170291246.db2.gz RXEFJKUZBZIMFF-UHFFFAOYSA-N 0 0 207.273 2.310 10 0 BEAERN CCOC(=O)c1cc(C)c(Br)n1C ZINC000145901294 170291682 /nfs/dbraw/zinc/29/16/82/170291682.db2.gz KCLZYSWHWYIDGT-UHFFFAOYSA-N 0 0 246.104 2.273 10 0 BEAERN CCOC(=O)c1cc(N2CCC[C@H]2C)ccc1N ZINC000041079568 170292042 /nfs/dbraw/zinc/29/20/42/170292042.db2.gz AEIFVODAYXTAMM-SNVBAGLBSA-N 0 0 248.326 2.434 10 0 BEAERN CCOC(=O)c1cc(N)ccc1N[C@H]1C[C@@H]1C ZINC000052300255 170292381 /nfs/dbraw/zinc/29/23/81/170292381.db2.gz ICCIBYAEMZRMBN-UFBFGSQYSA-N 0 0 234.299 2.266 10 0 BEAERN CCOC(=O)c1cc(F)nc(Br)c1 ZINC000047203032 170292550 /nfs/dbraw/zinc/29/25/50/170292550.db2.gz FYPMVCFXLQNICZ-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1cc(OC)c2ccccc2n1 ZINC000014508067 170293006 /nfs/dbraw/zinc/29/30/06/170293006.db2.gz YXXYFFJMHAYWOB-UHFFFAOYSA-N 0 0 231.251 2.420 10 0 BEAERN CCOC(=O)c1cc(=O)[nH]c2cccc(C)c21 ZINC000261507768 170293056 /nfs/dbraw/zinc/29/30/56/170293056.db2.gz MCVNRSKRPLZAGO-UHFFFAOYSA-N 0 0 231.251 2.426 10 0 BEAERN CCOC(=O)c1cc2cccc(O)c2[nH]1 ZINC000075605475 170293843 /nfs/dbraw/zinc/29/38/43/170293843.db2.gz SUFWHESGARMYGI-UHFFFAOYSA-N 0 0 205.213 2.050 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(F)n1 ZINC000047203096 170296032 /nfs/dbraw/zinc/29/60/32/170296032.db2.gz LFHUTIQXRGRQRZ-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1ccc(F)nc1Cl ZINC000047203090 170296050 /nfs/dbraw/zinc/29/60/50/170296050.db2.gz ZQEVHWJVNCSHQF-UHFFFAOYSA-N 0 0 203.600 2.051 10 0 BEAERN CCOC(=O)c1ccc(F)c(Br)n1 ZINC000047203024 170296393 /nfs/dbraw/zinc/29/63/93/170296393.db2.gz CURXEPHOFMUDQR-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ccc2ccc(C)nc2c1N ZINC000061875129 170297649 /nfs/dbraw/zinc/29/76/49/170297649.db2.gz UYLPFWXYWNFNLT-UHFFFAOYSA-N 0 0 230.267 2.302 10 0 BEAERN CCOC(=O)c1cccnc1N[C@H]1C[C@@H]1C ZINC000052291861 170299685 /nfs/dbraw/zinc/29/96/85/170299685.db2.gz LVDUCGKPEUZFBD-WPRPVWTQSA-N 0 0 220.272 2.079 10 0 BEAERN CCOC(=O)c1cnc2onc(C)c2c1Cl ZINC000034522201 170302117 /nfs/dbraw/zinc/30/21/17/170302117.db2.gz KOMOUKUZGNFOSJ-UHFFFAOYSA-N 0 0 240.646 2.361 10 0 BEAERN CCOC(=O)c1cnc2c(F)cc(C)cc2c1N ZINC000050843276 170302423 /nfs/dbraw/zinc/30/24/23/170302423.db2.gz LWEXJJALNKIELZ-UHFFFAOYSA-N 0 0 248.257 2.441 10 0 BEAERN CCOC(=O)c1n[nH]c(-c2cc(C)ccc2C)n1 ZINC000103923532 170305804 /nfs/dbraw/zinc/30/58/04/170305804.db2.gz RKMDIMKAYJTDQV-UHFFFAOYSA-N 0 0 245.282 2.265 10 0 BEAERN CCOC(=O)c1nc2cc[nH]c2cc1OCC ZINC000089221351 170307497 /nfs/dbraw/zinc/30/74/97/170307497.db2.gz JQHUDIWRMUSSGV-UHFFFAOYSA-N 0 0 234.255 2.138 10 0 BEAERN CCOC(=O)c1ncc(F)c(Cl)c1F ZINC000098179430 170307652 /nfs/dbraw/zinc/30/76/52/170307652.db2.gz UIGNMSWJPCADOP-UHFFFAOYSA-N 0 0 221.590 2.190 10 0 BEAERN CCOC(=O)c1nc2c(s1)C[C@H](C)CC2 ZINC000042407143 170307703 /nfs/dbraw/zinc/30/77/03/170307703.db2.gz JRYBCLCNAUOJEX-SSDOTTSWSA-N 0 0 225.313 2.445 10 0 BEAERN CCOC(=O)c1noc([C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000103927723 170309582 /nfs/dbraw/zinc/30/95/82/170309582.db2.gz FFRMNEKLDUEUOH-YIZRAAEISA-N 0 0 236.271 2.150 10 0 BEAERN CCOC(=O)c1sc(N)nc1CC(C)(C)C ZINC000090471006 170310857 /nfs/dbraw/zinc/31/08/57/170310857.db2.gz AOZLPMPSXWQSFQ-UHFFFAOYSA-N 0 0 242.344 2.491 10 0 BEAERN CCOC(Cn1ncc2ccc(N)cc21)OCC ZINC000011757207 170316430 /nfs/dbraw/zinc/31/64/30/170316430.db2.gz ZDNJJUJAFLLJJY-UHFFFAOYSA-N 0 0 249.314 2.018 10 0 BEAERN CCOC1=NC(=O)C[C@H]2C(C)=CCC[C@H]12 ZINC000039099540 170320665 /nfs/dbraw/zinc/32/06/65/170320665.db2.gz XPGHVQAQJLBFDH-UWVGGRQHSA-N 0 0 207.273 2.324 10 0 BEAERN CCOCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438258 170340414 /nfs/dbraw/zinc/34/04/14/170340414.db2.gz VCUMQBBBDYFMQX-CQSZACIVSA-N 0 0 237.343 2.372 10 0 BEAERN CCOCC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103055230 170347232 /nfs/dbraw/zinc/34/72/32/170347232.db2.gz WWVIBHOCDJVEIJ-RYUDHWBXSA-N 0 0 227.348 2.354 10 0 BEAERN CCOCC(=O)Nc1ccc(CC)c(F)c1 ZINC000122818970 170348633 /nfs/dbraw/zinc/34/86/33/170348633.db2.gz PMUARNHBKFOXMI-UHFFFAOYSA-N 0 0 225.263 2.363 10 0 BEAERN CCOCC(=O)c1cccc(OCC)c1 ZINC000045805734 170350473 /nfs/dbraw/zinc/35/04/73/170350473.db2.gz JBBLYXRLHYWVAN-UHFFFAOYSA-N 0 0 208.257 2.305 10 0 BEAERN CCOCCCNc1c(F)cc(N)cc1F ZINC000038039926 170383210 /nfs/dbraw/zinc/38/32/10/170383210.db2.gz WXBIRFBIMNOFLK-UHFFFAOYSA-N 0 0 230.258 2.386 10 0 BEAERN CCOCCCNc1ccc(N)cc1F ZINC000020474883 170383715 /nfs/dbraw/zinc/38/37/15/170383715.db2.gz TUVBHODTKLJLIG-UHFFFAOYSA-N 0 0 212.268 2.246 10 0 BEAERN CCOCCN(CC)c1ccnc(C2CC2)n1 ZINC000110587058 170396307 /nfs/dbraw/zinc/39/63/07/170396307.db2.gz QQFMXTGDFZBEKT-UHFFFAOYSA-N 0 0 235.331 2.217 10 0 BEAERN CCCc1nccnc1NCC[C@@H]1CCCO1 ZINC000663374514 411640228 /nfs/dbraw/zinc/64/02/28/411640228.db2.gz CPBSHXBTIISOLA-NSHDSACASA-N 0 0 235.331 2.410 10 0 BEAERN CCCc1nccnc1NC[C@@](C)(O)CCC ZINC000663600132 411707913 /nfs/dbraw/zinc/70/79/13/411707913.db2.gz XBTWAZBWPAMKNG-ZDUSSCGKSA-N 0 0 237.347 2.392 10 0 BEAERN CCO[C@H]1CCc2cc(NC(C)=O)ccc2O1 ZINC000090472968 170505621 /nfs/dbraw/zinc/50/56/21/170505621.db2.gz DQHCZDXMCWJGMX-CYBMUJFWSA-N 0 0 235.283 2.333 10 0 BEAERN CCOc1cc[n+]([O-])c2ccc(C)cc12 ZINC000204916480 170530041 /nfs/dbraw/zinc/53/00/41/170530041.db2.gz BFEOILSLJMHFLD-UHFFFAOYSA-N 0 0 203.241 2.180 10 0 BEAERN CCOc1ccc(-c2cnc3n2CCOC3)cc1 ZINC000001509211 170531707 /nfs/dbraw/zinc/53/17/07/170531707.db2.gz KDLODSZWRDUIDS-UHFFFAOYSA-N 0 0 244.294 2.479 10 0 BEAERN CCOc1ccc([C@@H](O)CC(C)=O)cc1 ZINC000073733887 170558994 /nfs/dbraw/zinc/55/89/94/170558994.db2.gz WDLDCNQTVCNVOB-LBPRGKRZSA-N 0 0 208.257 2.098 10 0 BEAERN CCCc1nccnc1N[C@H]1CCSC1 ZINC000663670219 411718592 /nfs/dbraw/zinc/71/85/92/411718592.db2.gz PPYRNTJZIXSUKG-VIFPVBQESA-N 0 0 223.345 2.347 10 0 BEAERN CCCc1nccnc1NCC[C@H](O)CC ZINC000663719280 411732424 /nfs/dbraw/zinc/73/24/24/411732424.db2.gz KBQADBBETKFWSP-SNVBAGLBSA-N 0 0 223.320 2.002 10 0 BEAERN CCOc1cccc(NCCn2cccn2)c1 ZINC000049565714 170581849 /nfs/dbraw/zinc/58/18/49/170581849.db2.gz HIACAJCQFSEYNW-UHFFFAOYSA-N 0 0 231.299 2.394 10 0 BEAERN CCOc1ccccc1CNc1cncnc1 ZINC000083356693 170593395 /nfs/dbraw/zinc/59/33/95/170593395.db2.gz JIAINDYLALUMMG-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN CCCc1nccnc1N[C@H]1CCCOCC1 ZINC000663773664 411744950 /nfs/dbraw/zinc/74/49/50/411744950.db2.gz NSETYAMXDBKUJU-NSHDSACASA-N 0 0 235.331 2.410 10 0 BEAERN CCCc1nccnc1N[C@@H](C)C[C@H](C)O ZINC000663789340 411747323 /nfs/dbraw/zinc/74/73/23/411747323.db2.gz KDCCHWTYSWBROY-UWVGGRQHSA-N 0 0 223.320 2.000 10 0 BEAERN CCS(=O)(=O)c1ccccc1NCC(F)F ZINC000147893887 170623888 /nfs/dbraw/zinc/62/38/88/170623888.db2.gz DOIWCUWGHMUVHI-UHFFFAOYSA-N 0 0 249.282 2.157 10 0 BEAERN CCCc1nccnc1NC[C@H](CO)C(C)C ZINC000663913994 411773411 /nfs/dbraw/zinc/77/34/11/411773411.db2.gz XDNDYYXSWRNUNH-LLVKDONJSA-N 0 0 237.347 2.106 10 0 BEAERN CCS[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000019869885 170651007 /nfs/dbraw/zinc/65/10/07/170651007.db2.gz CMQRCRZLKKOPHJ-SSDOTTSWSA-N 0 0 242.319 2.488 10 0 BEAERN CCCc1nccnc1NCCC1(CO)CC1 ZINC000663975705 411798541 /nfs/dbraw/zinc/79/85/41/411798541.db2.gz LASQBVKPDMMKHW-UHFFFAOYSA-N 0 0 235.331 2.004 10 0 BEAERN CC[C@@H](C)C(=O)Nc1nc(COC)cs1 ZINC000115244206 170684255 /nfs/dbraw/zinc/68/42/55/170684255.db2.gz GZOLTBXMOFOPNI-SSDOTTSWSA-N 0 0 228.317 2.274 10 0 BEAERN CC[C@@H](C)CNc1nccn(CC(C)C)c1=O ZINC000061766848 170710232 /nfs/dbraw/zinc/71/02/32/170710232.db2.gz GSLWJPTVKIUTKT-LLVKDONJSA-N 0 0 237.347 2.357 10 0 BEAERN CC[C@@H](C)NC(=O)c1cc(N)c(F)cc1F ZINC000040292264 170748096 /nfs/dbraw/zinc/74/80/96/170748096.db2.gz RYXHDBJMJZATPR-ZCFIWIBFSA-N 0 0 228.242 2.075 10 0 BEAERN CC[C@@H](C)Nc1cc(S(C)(=O)=O)ccc1F ZINC000037058174 170759397 /nfs/dbraw/zinc/75/93/97/170759397.db2.gz DYYRHNICRDWFEA-MRVPVSSYSA-N 0 0 245.319 2.440 10 0 BEAERN CC[C@@H](C)Nc1ccc(C(N)=O)cc1C ZINC000037027167 170759788 /nfs/dbraw/zinc/75/97/88/170759788.db2.gz MMYRZENGEPCKRT-SECBINFHSA-N 0 0 206.289 2.304 10 0 BEAERN Nc1cccnc1C(=O)NC1CCCCCC1 ZINC000132323734 411898082 /nfs/dbraw/zinc/89/80/82/411898082.db2.gz FSIPHHGALGTIAN-UHFFFAOYSA-N 0 0 233.315 2.116 10 0 BEAERN CN(C(=O)c1ncccc1N)C1CCCCCC1 ZINC000132351199 411903208 /nfs/dbraw/zinc/90/32/08/411903208.db2.gz CWCBMAWGVMHVGQ-UHFFFAOYSA-N 0 0 247.342 2.459 10 0 BEAERN CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000219779198 411903192 /nfs/dbraw/zinc/90/31/92/411903192.db2.gz GOMHVOQFHPIBIA-ZDUSSCGKSA-N 0 0 247.338 2.290 10 0 BEAERN Cc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1 ZINC000071853243 411915727 /nfs/dbraw/zinc/91/57/27/411915727.db2.gz ACUVRQDEVLBJII-ZDUSSCGKSA-N 0 0 233.311 2.294 10 0 BEAERN OCC1CC(Nc2ccc3ccccc3n2)C1 ZINC000664644501 412004747 /nfs/dbraw/zinc/00/47/47/412004747.db2.gz GYRKSRGNLNKNEF-UHFFFAOYSA-N 0 0 228.295 2.418 10 0 BEAERN Cc1csc2c1ncnc2NC1CC(CO)C1 ZINC000664645327 412005388 /nfs/dbraw/zinc/00/53/88/412005388.db2.gz PHYSPVBZGOUDFD-UHFFFAOYSA-N 0 0 249.339 2.183 10 0 BEAERN CC[C@@H](N[C@H](C)c1ccc(C)o1)C(=O)OC ZINC000168270538 170912447 /nfs/dbraw/zinc/91/24/47/170912447.db2.gz PNEFPYKRXNATIY-NXEZZACHSA-N 0 0 225.288 2.190 10 0 BEAERN CC[C@@H](Nc1cccc(F)c1)C(=O)OC ZINC000037962100 170916131 /nfs/dbraw/zinc/91/61/31/170916131.db2.gz NGKWSZHLGZZSDO-SNVBAGLBSA-N 0 0 211.236 2.189 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662212379 412027171 /nfs/dbraw/zinc/02/71/71/412027171.db2.gz OVLKGXGFBJXNRB-OUAUKWLOSA-N 0 0 213.321 2.074 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(N)c[nH]1 ZINC000042577200 170967722 /nfs/dbraw/zinc/96/77/22/170967722.db2.gz RIEOBQZKQMIXNM-KOLCDFICSA-N 0 0 235.331 2.296 10 0 BEAERN CC[C@@H]1CSC(NCc2csc(C)n2)=[NH+]1 ZINC000049534296 171114357 /nfs/dbraw/zinc/11/43/57/171114357.db2.gz YDFRUCVZFHOQAP-MRVPVSSYSA-N 0 0 241.385 2.423 10 0 BEAERN CC[C@@H]1C[C@H]1Nc1ncnc(Cl)c1NC ZINC000302542309 171142692 /nfs/dbraw/zinc/14/26/92/171142692.db2.gz IBFXNGXWLXVILM-RNFRBKRXSA-N 0 0 226.711 2.382 10 0 BEAERN CC[C@@H]1NC(=O)N([C@H]2CCC23CCCC3)C1=O ZINC000336465351 171145391 /nfs/dbraw/zinc/14/53/91/171145391.db2.gz UDYHIPWFORHQRJ-UWVGGRQHSA-N 0 0 236.315 2.040 10 0 BEAERN CC[C@H](C)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000036943878 171256604 /nfs/dbraw/zinc/25/66/04/171256604.db2.gz UZCJDIFIKNDBRM-VIFPVBQESA-N 0 0 231.295 2.434 10 0 BEAERN CC[C@H](C)C(=O)c1c(O)cc(O)cc1O ZINC000000900231 171256619 /nfs/dbraw/zinc/25/66/19/171256619.db2.gz ASABIRFQGVWRDC-LURJTMIESA-N 0 0 210.229 2.032 10 0 in-vitro BEAERN CC[C@H](C)CN1c2cc(F)ccc2C(=O)C1=O ZINC000050425264 171279803 /nfs/dbraw/zinc/27/98/03/171279803.db2.gz SIFYKOPWRUZQMR-QMMMGPOBSA-N 0 0 235.258 2.401 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(F)c(N)c1 ZINC000054466121 171284013 /nfs/dbraw/zinc/28/40/13/171284013.db2.gz IXTQCSXITIPKIP-QMMMGPOBSA-N 0 0 224.279 2.184 10 0 BEAERN CC[C@H](C)CNc1ccc(N)c2nonc21 ZINC000054466883 171287492 /nfs/dbraw/zinc/28/74/92/171287492.db2.gz FWBFMJSXYPDOQB-ZETCQYMHSA-N 0 0 220.276 2.263 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@@H]1CNc2ccccc2O1 ZINC000037110265 171303551 /nfs/dbraw/zinc/30/35/51/171303551.db2.gz SWDHAXPZNORJEI-GWCFXTLKSA-N 0 0 248.326 2.116 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(N)ccc1N(C)C ZINC000042269051 171303796 /nfs/dbraw/zinc/30/37/96/171303796.db2.gz IOXNICYTDLAATG-JTQLQIEISA-N 0 0 249.358 2.205 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cnc(N)c(Cl)c1 ZINC000050700993 171304450 /nfs/dbraw/zinc/30/44/50/171304450.db2.gz AALJZMQHENBONF-ZETCQYMHSA-N 0 0 241.722 2.188 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1n[nH]c2ccc(N)cc21 ZINC000048278031 171304487 /nfs/dbraw/zinc/30/44/87/171304487.db2.gz QRDULZXJDCTJCD-QMMMGPOBSA-N 0 0 246.314 2.016 10 0 BEAERN CC[C@H](C)N(C)c1nc2ccccn2c1CO ZINC000035433911 171309918 /nfs/dbraw/zinc/30/99/18/171309918.db2.gz WLEMPSRXAJBWHV-JTQLQIEISA-N 0 0 233.315 2.061 10 0 BEAERN CC[C@H](C)N(CC)c1ncnc(Cl)c1N ZINC000062362618 171311705 /nfs/dbraw/zinc/31/17/05/171311705.db2.gz UNGOKFYENNNKPI-ZETCQYMHSA-N 0 0 228.727 2.337 10 0 BEAERN CC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117559626 171333968 /nfs/dbraw/zinc/33/39/68/171333968.db2.gz QSOZMTYSAFHANX-OPQQBVKSSA-N 0 0 233.311 2.466 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(N)c(C)c(F)c1 ZINC000037483973 171336756 /nfs/dbraw/zinc/33/67/56/171336756.db2.gz FTAZDNMGIZOLEK-ZETCQYMHSA-N 0 0 224.279 2.245 10 0 BEAERN CC[C@H](C)NC(=O)c1ccc(C)nc1C ZINC000048369394 171337744 /nfs/dbraw/zinc/33/77/44/171337744.db2.gz NDAVNMRJKYWEND-QMMMGPOBSA-N 0 0 206.289 2.227 10 0 BEAERN CC[C@H](C)[NH2+]CCc1nc(C)c(C(=O)[O-])s1 ZINC000049831035 171341465 /nfs/dbraw/zinc/34/14/65/171341465.db2.gz MLUKQMCQWVQPIB-ZETCQYMHSA-N 0 0 242.344 2.080 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000038066103 171347247 /nfs/dbraw/zinc/34/72/47/171347247.db2.gz VORHLZAMSMSDAD-CPCISQLKSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1cc(C)ccc1C ZINC000038065557 171348491 /nfs/dbraw/zinc/34/84/91/171348491.db2.gz HTEFIOPRAMRWAB-WFASDCNBSA-N 0 0 248.370 2.392 10 0 BEAERN CC[C@H](C)Nc1ccc(-n2cccn2)nc1 ZINC000037019779 171349405 /nfs/dbraw/zinc/34/94/05/171349405.db2.gz QCHVMBLZDJCPKH-JTQLQIEISA-N 0 0 216.288 2.478 10 0 BEAERN CC[C@H](C)Nc1ccc(C(N)=O)cc1C ZINC000037027168 171349935 /nfs/dbraw/zinc/34/99/35/171349935.db2.gz MMYRZENGEPCKRT-VIFPVBQESA-N 0 0 206.289 2.304 10 0 BEAERN CC[C@H](C)Nc1cccc(C(=O)NC)c1 ZINC000020124719 171350727 /nfs/dbraw/zinc/35/07/27/171350727.db2.gz ZJMYEWOYPZEQLL-VIFPVBQESA-N 0 0 206.289 2.257 10 0 BEAERN CC[C@H](C)OCC(=O)N(C)Cc1ccc(C)o1 ZINC000133538960 171351685 /nfs/dbraw/zinc/35/16/85/171351685.db2.gz COIXOCOCCUVJIV-JTQLQIEISA-N 0 0 239.315 2.362 10 0 BEAERN CC[C@H](C)OCC(=O)Nc1cc(N)ccc1F ZINC000048263792 171354538 /nfs/dbraw/zinc/35/45/38/171354538.db2.gz YGKLIERXFDAFII-QMMMGPOBSA-N 0 0 240.278 2.162 10 0 BEAERN CC[C@H](C)O[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000048263532 171355028 /nfs/dbraw/zinc/35/50/28/171355028.db2.gz XIXIYIKTXADIKC-VHSXEESVSA-N 0 0 236.315 2.411 10 0 BEAERN CC[C@H](C)Oc1cccc(N[C@H](C)C(N)=O)c1 ZINC000051780752 171356937 /nfs/dbraw/zinc/35/69/37/171356937.db2.gz ZQYGTZMMJOIXLH-VHSXEESVSA-N 0 0 236.315 2.150 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1cc(N)cn1CC ZINC000042550932 171363604 /nfs/dbraw/zinc/36/36/04/171363604.db2.gz UCRLHKDPJISEMP-VHSXEESVSA-N 0 0 237.347 2.255 10 0 BEAERN CC[C@H](C)[C@@H](C)Nc1nc(Cl)nc(OC)n1 ZINC000061514344 171367980 /nfs/dbraw/zinc/36/79/80/171367980.db2.gz QEKPVDLVNWRTOF-NKWVEPMBSA-N 0 0 244.726 2.380 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1cc(N)cnc1C ZINC000042551044 171388368 /nfs/dbraw/zinc/38/83/68/171388368.db2.gz AVIZERNVPKMKOI-IUCAKERBSA-N 0 0 235.331 2.137 10 0 BEAERN CC[C@H](C)[C@H](C)Nc1cnn(CCOC)c1 ZINC000037090289 171391313 /nfs/dbraw/zinc/39/13/13/171391313.db2.gz UDRXYEJHVMWWRZ-QWRGUYRKSA-N 0 0 225.336 2.376 10 0 BEAERN CC[C@H](C)[S@@](=O)Cc1ccccc1N ZINC000040964747 171408278 /nfs/dbraw/zinc/40/82/78/171408278.db2.gz FKFXMKDPNCQTMV-LKFCYVNXSA-N 0 0 211.330 2.316 10 0 BEAERN CCOc1ccc(-c2cnn(C)c2)cc1N ZINC000665125896 412104683 /nfs/dbraw/zinc/10/46/83/412104683.db2.gz UJVMEMJLAWMINK-UHFFFAOYSA-N 0 0 217.272 2.068 10 0 BEAERN CC[C@H](C)C[C@H](C)NC(=O)c1ncccc1N ZINC000132755420 412257000 /nfs/dbraw/zinc/25/70/00/412257000.db2.gz RZYHDJNYGFEABL-UWVGGRQHSA-N 0 0 235.331 2.218 10 0 BEAERN CC[C@H](O)CNc1ccc(F)cc1F ZINC000037688568 171578062 /nfs/dbraw/zinc/57/80/62/171578062.db2.gz JXKHBCHOHYKESA-QMMMGPOBSA-N 0 0 201.216 2.148 10 0 BEAERN CC[C@H](c1ccc(OC)cc1)n1nccc1N ZINC000019689256 171597559 /nfs/dbraw/zinc/59/75/59/171597559.db2.gz HDCJIESIQSLZJH-GFCCVEGCSA-N 0 0 231.299 2.473 10 0 BEAERN CC[C@H](C)CN(CC)C(=O)c1ncccc1N ZINC000132790016 412284429 /nfs/dbraw/zinc/28/44/29/412284429.db2.gz CQSGJZAPMDLGCL-JTQLQIEISA-N 0 0 235.331 2.172 10 0 BEAERN CC[C@H]1CCCN1C(=O)c1cc(OC)ccc1N ZINC000037912740 171618380 /nfs/dbraw/zinc/61/83/80/171618380.db2.gz BEGWJKSRWNIVNP-JTQLQIEISA-N 0 0 248.326 2.292 10 0 BEAERN CC[C@@H]1CCCN(C(=O)c2ncccc2N)CC1 ZINC000132724138 412227894 /nfs/dbraw/zinc/22/78/94/412227894.db2.gz NATUEZAJOBSIAL-LLVKDONJSA-N 0 0 247.342 2.316 10 0 BEAERN CC[C@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000130803572 171629461 /nfs/dbraw/zinc/62/94/61/171629461.db2.gz JTRLMLILBAVQPT-RYUDHWBXSA-N 0 0 232.327 2.444 10 0 BEAERN CCc1c(C)nn(-c2ccccc2)c1N ZINC000037507705 171741842 /nfs/dbraw/zinc/74/18/42/171741842.db2.gz DGMXMMBXPWFCGE-UHFFFAOYSA-N 0 0 201.273 2.325 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2ccnn2C)o1 ZINC000121070925 171757684 /nfs/dbraw/zinc/75/76/84/171757684.db2.gz JPXKOHYUWYQNAO-UHFFFAOYSA-N 0 0 233.271 2.136 10 0 BEAERN CCc1cc(N)nc(Cc2ccccc2)n1 ZINC000050846157 171761530 /nfs/dbraw/zinc/76/15/30/171761530.db2.gz UOIFNGRLHGTVMM-UHFFFAOYSA-N 0 0 213.284 2.212 10 0 BEAERN CCc1ccc(C(=O)N2CCCO2)cc1 ZINC000125355566 171784093 /nfs/dbraw/zinc/78/40/93/171784093.db2.gz MXNFASGPFPWABY-UHFFFAOYSA-N 0 0 205.257 2.027 10 0 BEAERN CCc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000089151451 171786087 /nfs/dbraw/zinc/78/60/87/171786087.db2.gz YSDVGIYNMJFWHF-KBPBESRZSA-N 0 0 247.338 2.140 10 0 BEAERN CCc1ccc(CN[C@@H](CC)C(=O)OC)cc1 ZINC000083362418 171809337 /nfs/dbraw/zinc/80/93/37/171809337.db2.gz VVCPXXHVUQTCAY-ZDUSSCGKSA-N 0 0 235.327 2.290 10 0 BEAERN CCc1ccc(N[C@@H](C)C(=O)N(C)C)cc1 ZINC000058342059 171821537 /nfs/dbraw/zinc/82/15/37/171821537.db2.gz OTRJXHJVDPVFNU-JTQLQIEISA-N 0 0 220.316 2.138 10 0 BEAERN CCc1ccc(OC(=O)[C@@H](C)COC)cc1 ZINC000103357791 171824499 /nfs/dbraw/zinc/82/44/99/171824499.db2.gz SOTAMHJCQKTEJO-JTQLQIEISA-N 0 0 222.284 2.437 10 0 BEAERN CCc1ccc([C@H](C)NC(=O)NC)cc1 ZINC000048487187 171838538 /nfs/dbraw/zinc/83/85/38/171838538.db2.gz GTZIZYOVOJXTMU-VIFPVBQESA-N 0 0 206.289 2.239 10 0 BEAERN CCc1ccccc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000162007177 171874496 /nfs/dbraw/zinc/87/44/96/171874496.db2.gz WABHUWDPAYZNJF-UONOGXRCSA-N 0 0 247.338 2.282 10 0 BEAERN CCc1ccnc(C(=O)N[C@H](C)C(C)C)c1 ZINC000179900258 171903295 /nfs/dbraw/zinc/90/32/95/171903295.db2.gz VXIRKAKKCOCCGH-SNVBAGLBSA-N 0 0 220.316 2.418 10 0 BEAERN CCc1csc(-c2cnc(C)nc2N)n1 ZINC000062329586 171929194 /nfs/dbraw/zinc/92/91/94/171929194.db2.gz YXVGELSYKYTWNF-UHFFFAOYSA-N 0 0 220.301 2.053 10 0 BEAERN CCc1nc(-c2ccccn2)cc(=S)[nH]1 ZINC000045956426 172000028 /nfs/dbraw/zinc/00/00/28/172000028.db2.gz WKGFCTNEFDJFAI-UHFFFAOYSA-N 0 0 217.297 2.390 10 0 BEAERN CCc1nc([C@@H](N)c2cccc(Cl)c2)no1 ZINC000036762595 172005094 /nfs/dbraw/zinc/00/50/94/172005094.db2.gz QJIDGRSDXZDWEC-JTQLQIEISA-N 0 0 237.690 2.334 10 0 BEAERN CCc1nc([C@H](N)c2cc(C)sc2C)no1 ZINC000049687980 172007189 /nfs/dbraw/zinc/00/71/89/172007189.db2.gz SQFYLQGHGKKMLU-SNVBAGLBSA-N 0 0 237.328 2.358 10 0 BEAERN CCc1nc([C@H](N)c2sccc2C)no1 ZINC000041674657 172007626 /nfs/dbraw/zinc/00/76/26/172007626.db2.gz VBOFFZOJXGRWBJ-MRVPVSSYSA-N 0 0 223.301 2.050 10 0 BEAERN CCc1nc([C@](C)([NH3+])C2CCCCC2)no1 ZINC000037367382 172008528 /nfs/dbraw/zinc/00/85/28/172008528.db2.gz SQAKQXRKIWKGHX-GFCCVEGCSA-N 0 0 223.320 2.386 10 0 BEAERN CCc1nc2c(ncn2CC)c(=S)[nH]1 ZINC000001627995 172008619 /nfs/dbraw/zinc/00/86/19/172008619.db2.gz AHPPXBSAAWSUBA-UHFFFAOYSA-N 0 0 208.290 2.071 10 0 BEAERN CCc1nc2cccc3c2n1CCC3=O ZINC000095924247 172013891 /nfs/dbraw/zinc/01/38/91/172013891.db2.gz LMGXFIUUWWIBFQ-UHFFFAOYSA-N 0 0 200.241 2.185 10 0 BEAERN CCc1nccn1Cc1cccc(N)c1C ZINC000042419597 172027462 /nfs/dbraw/zinc/02/74/62/172027462.db2.gz ZXIICXITBFBKEZ-UHFFFAOYSA-N 0 0 215.300 2.384 10 0 BEAERN CCc1nnc(N[C@@H](C)C(C)C)nc1CC ZINC000163154022 172060576 /nfs/dbraw/zinc/06/05/76/172060576.db2.gz PYKSKMKWAAZXOZ-VIFPVBQESA-N 0 0 222.336 2.453 10 0 BEAERN CCc1nnc2c(N)nc3ccc(Cl)cc3n12 ZINC000026379057 172067643 /nfs/dbraw/zinc/06/76/43/172067643.db2.gz VLKAKCXKBAUGAN-UHFFFAOYSA-N 0 0 247.689 2.076 10 0 BEAERN CCc1noc(-c2cc(N)c(F)cc2F)n1 ZINC000037475100 172071806 /nfs/dbraw/zinc/07/18/06/172071806.db2.gz WRNCZPFPKYBCDU-UHFFFAOYSA-N 0 0 225.198 2.159 10 0 BEAERN CCc1noc(N)c1-c1ccc(OC)cc1 ZINC000026512393 172086051 /nfs/dbraw/zinc/08/60/51/172086051.db2.gz MORKEOVLWDBYDP-UHFFFAOYSA-N 0 0 218.256 2.495 10 0 BEAERN CCc1noc([C@H](C)NC2(C(C)C)CC2)n1 ZINC000339518066 172092367 /nfs/dbraw/zinc/09/23/67/172092367.db2.gz YRGLXTSIONITCD-VIFPVBQESA-N 0 0 223.320 2.471 10 0 BEAERN CCc1nsc(NC[C@@H](O)C2CCCC2)n1 ZINC000301513358 172105141 /nfs/dbraw/zinc/10/51/41/172105141.db2.gz LBYHEADIUPXNCR-SECBINFHSA-N 0 0 241.360 2.064 10 0 BEAERN CCc1onc(C)c1NC(=O)N[C@@H]1C[C@@H]1C ZINC000089443982 172126402 /nfs/dbraw/zinc/12/64/02/172126402.db2.gz MSPZGGKKPYJYBL-POYBYMJQSA-N 0 0 223.276 2.075 10 0 BEAERN CCn1c2ccccc2nc1-c1c[nH]nc1N ZINC000035279299 172130299 /nfs/dbraw/zinc/13/02/99/172130299.db2.gz IKVGLXRSIBUYOD-UHFFFAOYSA-N 0 0 227.271 2.029 10 0 BEAERN CCn1c(C2CC2)c(N)c(=O)n1[C@@H](C)C1CC1 ZINC000103954536 172142140 /nfs/dbraw/zinc/14/21/40/172142140.db2.gz IRDKXODYHTVPBI-QMMMGPOBSA-N 0 0 235.331 2.100 10 0 BEAERN CCn1c(CC(C)=O)nc2ccccc21 ZINC000086755511 172143616 /nfs/dbraw/zinc/14/36/16/172143616.db2.gz LFJFNTDCZLUTOL-UHFFFAOYSA-N 0 0 202.257 2.188 10 0 BEAERN CCn1c2cc(C)c(C)cc2nc1CCO ZINC000040310656 172145233 /nfs/dbraw/zinc/14/52/33/172145233.db2.gz IUGUYPZGJLKHQL-UHFFFAOYSA-N 0 0 218.300 2.208 10 0 BEAERN CCn1cc(CSc2ccncc2N)cn1 ZINC000050540101 172177478 /nfs/dbraw/zinc/17/74/78/172177478.db2.gz JWUBJRHSVWZPCE-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1cc(NC(C2CC2)C2CC2)ccc1=O ZINC000037773655 172184469 /nfs/dbraw/zinc/18/44/69/172184469.db2.gz IDKFXUXCVNYEKF-UHFFFAOYSA-N 0 0 232.327 2.469 10 0 BEAERN CCn1cc([C@@H](O)Cc2ccc(C)cc2)cn1 ZINC000051752773 172195895 /nfs/dbraw/zinc/19/58/95/172195895.db2.gz KBJIUBMQTKFLFS-AWEZNQCLSA-N 0 0 230.311 2.488 10 0 BEAERN CCn1ccc(OCc2ccccc2)cc1=O ZINC000039102889 172200939 /nfs/dbraw/zinc/20/09/39/172200939.db2.gz VSVYNQNOTDGPCL-UHFFFAOYSA-N 0 0 229.279 2.447 10 0 BEAERN CCn1cc[nH+]c1Nc1ccc(C(=O)[O-])cc1 ZINC000050607611 172227609 /nfs/dbraw/zinc/22/76/09/172227609.db2.gz DPUDCAKFGKVGAC-UHFFFAOYSA-N 0 0 231.255 2.345 10 0 BEAERN CCn1ccnc1Oc1ccccc1N ZINC000050614326 172227664 /nfs/dbraw/zinc/22/76/64/172227664.db2.gz HYHPQWRZMJLZOO-UHFFFAOYSA-N 0 0 203.245 2.278 10 0 BEAERN CCn1ccnc1Oc1ccc(F)cc1N ZINC000052065220 172228455 /nfs/dbraw/zinc/22/84/55/172228455.db2.gz AAJAXTXRHAQFFH-UHFFFAOYSA-N 0 0 221.235 2.417 10 0 BEAERN CCn1cnc2c1c(OC)ccc2OC ZINC000039476210 172231560 /nfs/dbraw/zinc/23/15/60/172231560.db2.gz MSTAONOQUAGGOM-UHFFFAOYSA-N 0 0 206.245 2.073 10 0 BEAERN CCn1nc(C(C)(C)C)cc1C(=O)n1ccnc1 ZINC000073711318 172240931 /nfs/dbraw/zinc/24/09/31/172240931.db2.gz MCAARDLRHKLLHE-UHFFFAOYSA-N 0 0 246.314 2.086 10 0 BEAERN CN(C(=O)CC1CC1)c1ccccc1N ZINC000050014763 172301459 /nfs/dbraw/zinc/30/14/59/172301459.db2.gz AKOGRIVIFOJJMS-UHFFFAOYSA-N 0 0 204.273 2.032 10 0 BEAERN CN(C(=O)c1cc(N)ccn1)c1cccc(F)c1 ZINC000050709158 172337529 /nfs/dbraw/zinc/33/75/29/172337529.db2.gz VEZFMAGIWHJFRA-UHFFFAOYSA-N 0 0 245.257 2.080 10 0 BEAERN CN(C(=O)c1ccc2c(c1)CCN2)C1CCC1 ZINC000126864657 172341462 /nfs/dbraw/zinc/34/14/62/172341462.db2.gz JDKNHMCJISTHCZ-UHFFFAOYSA-N 0 0 230.311 2.279 10 0 BEAERN CN(C(=O)c1cccnc1N)c1cccc(F)c1 ZINC000050709153 172343587 /nfs/dbraw/zinc/34/35/87/172343587.db2.gz BMPJKEWAIVTGMH-UHFFFAOYSA-N 0 0 245.257 2.080 10 0 BEAERN CN(C(=O)c1ccncc1)c1ccc(O)cc1 ZINC000020210520 172344246 /nfs/dbraw/zinc/34/42/46/172344246.db2.gz COTMMYXNMRUTDJ-UHFFFAOYSA-N 0 0 228.251 2.064 10 0 BEAERN CN(C(=O)c1ccsc1)c1ccncc1N ZINC000042140383 172345397 /nfs/dbraw/zinc/34/53/97/172345397.db2.gz YXFQIWMMUYIHTA-UHFFFAOYSA-N 0 0 233.296 2.002 10 0 BEAERN CN(C(=O)c1sccc1N)C1CCCC1 ZINC000040302688 172348571 /nfs/dbraw/zinc/34/85/71/172348571.db2.gz OTNHEWUFJGNNJC-UHFFFAOYSA-N 0 0 224.329 2.345 10 0 BEAERN CN(C)C(=O)CCNc1cccc(Cl)c1 ZINC000037897844 172361476 /nfs/dbraw/zinc/36/14/76/172361476.db2.gz MSPSHQUQKNBAOA-UHFFFAOYSA-N 0 0 226.707 2.230 10 0 BEAERN CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081528 172387717 /nfs/dbraw/zinc/38/77/17/172387717.db2.gz IKFDINYPKWAPJC-BDAKNGLRSA-N 0 0 225.238 2.157 10 0 BEAERN CN(C)C(=O)c1cc(O)ccc1CC1CC1 ZINC000095711680 172388458 /nfs/dbraw/zinc/38/84/58/172388458.db2.gz RBIGVYJAMWKUIA-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1cc(O)cc(C(C)(C)C)c1 ZINC000095711441 172388941 /nfs/dbraw/zinc/38/89/41/172388941.db2.gz VNAFIWWPKQYQHG-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1cccc(OC2CC2)c1F ZINC000095724786 172391052 /nfs/dbraw/zinc/39/10/52/172391052.db2.gz BPJHYHGWDIXIOH-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)C(=S)c1cccc(-c2ccccn2)n1 ZINC000013208041 172394230 /nfs/dbraw/zinc/39/42/30/172394230.db2.gz LYYIAEHXIMCXNS-UHFFFAOYSA-N 0 0 243.335 2.381 10 0 BEAERN CN(C)c1c(O)cccc1C(F)(F)F ZINC000095711738 172543349 /nfs/dbraw/zinc/54/33/49/172543349.db2.gz WIDDCILCPDYBMG-UHFFFAOYSA-N 0 0 205.179 2.477 10 0 BEAERN CN(CC1CC(O)C1)c1nc2ccccc2o1 ZINC000091490646 172646197 /nfs/dbraw/zinc/64/61/97/172646197.db2.gz GTKMXXJAHLWHSI-UHFFFAOYSA-N 0 0 232.283 2.035 10 0 BEAERN CN(CCc1ccccn1)c1ccc(C=O)o1 ZINC000050544108 172785877 /nfs/dbraw/zinc/78/58/77/172785877.db2.gz OLUAMOSNNFRPMH-UHFFFAOYSA-N 0 0 230.267 2.166 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000042371279 172811698 /nfs/dbraw/zinc/81/16/98/172811698.db2.gz FIQVTCNKDLDQHB-JTQLQIEISA-N 0 0 237.274 2.077 10 0 BEAERN CN(Cc1ccccc1N)C(=O)C1CCCC1 ZINC000035360702 172877504 /nfs/dbraw/zinc/87/75/04/172877504.db2.gz JBYDVHGMJABXLK-UHFFFAOYSA-N 0 0 232.327 2.417 10 0 BEAERN CN(c1cc2c(cc1N)CC(=O)N2)C1CCCC1 ZINC000035061101 172946007 /nfs/dbraw/zinc/94/60/07/172946007.db2.gz GGSFSNUODVNBJE-UHFFFAOYSA-N 0 0 245.326 2.142 10 0 BEAERN CN(c1ccc(N)cc1F)C1CCOCC1 ZINC000036320430 172947457 /nfs/dbraw/zinc/94/74/57/172947457.db2.gz IJBALHSVFFSJGG-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN CN(c1ccccc1)c1ccc(N)c(C(N)=O)c1 ZINC000041079863 172950216 /nfs/dbraw/zinc/95/02/16/172950216.db2.gz RYSNIQMOMMFOCR-UHFFFAOYSA-N 0 0 241.294 2.136 10 0 BEAERN CN(c1ccccc1N)[C@H]1CCSC1 ZINC000037174421 172952026 /nfs/dbraw/zinc/95/20/26/172952026.db2.gz OLQMQXFEOOYTNA-VIFPVBQESA-N 0 0 208.330 2.211 10 0 BEAERN CN(c1ncnc(Cl)c1N)C1CCCC1 ZINC000062362586 172955311 /nfs/dbraw/zinc/95/53/11/172955311.db2.gz RXGWSONQAKDPDD-UHFFFAOYSA-N 0 0 226.711 2.091 10 0 BEAERN CN1CCCC[C@H](c2cccc(O)c2)C1=O ZINC000036405312 173008529 /nfs/dbraw/zinc/00/85/29/173008529.db2.gz IBNKFKLIUOMAQB-GFCCVEGCSA-N 0 0 219.284 2.118 10 0 BEAERN CN1C[C@@H](c2ccc(Cl)cc2)OC1=O ZINC000041225856 173188445 /nfs/dbraw/zinc/18/84/45/173188445.db2.gz MNOTYBPUSYMAES-VIFPVBQESA-N 0 0 211.648 2.463 10 0 BEAERN CNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173484219 173284822 /nfs/dbraw/zinc/28/48/22/173284822.db2.gz MFDYQQOTJQGZFE-JTQLQIEISA-N 0 0 222.288 2.454 10 0 BEAERN CNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173484231 173284918 /nfs/dbraw/zinc/28/49/18/173284918.db2.gz MFDYQQOTJQGZFE-SNVBAGLBSA-N 0 0 222.288 2.454 10 0 BEAERN CNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000046884684 173292347 /nfs/dbraw/zinc/29/23/47/173292347.db2.gz MYFRITMSNMFCAX-RXMQYKEDSA-N 0 0 218.709 2.392 10 0 BEAERN CNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182412614 173292793 /nfs/dbraw/zinc/29/27/93/173292793.db2.gz ZDTNEDRFFKYFON-BXKDBHETSA-N 0 0 218.300 2.157 10 0 BEAERN CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1N ZINC000020422491 173296170 /nfs/dbraw/zinc/29/61/70/173296170.db2.gz SHKZVEXYZGSAKS-ZCFIWIBFSA-N 0 0 244.747 2.149 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccccc1C(F)(F)F ZINC000020359075 173304020 /nfs/dbraw/zinc/30/40/20/173304020.db2.gz DJPJPVIYIVCNSJ-ZETCQYMHSA-N 0 0 246.232 2.252 10 0 BEAERN CNC(=O)c1cc(Cl)ccc1OC1CC1 ZINC000095722896 173309596 /nfs/dbraw/zinc/30/95/96/173309596.db2.gz WBOWAMOBJDQYFK-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=O)c1cc(O)ccc1C(C)(C)C ZINC000095712200 173309892 /nfs/dbraw/zinc/30/98/92/173309892.db2.gz VERSAZWXUSYGRT-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1ccc(OC2CC2)cc1Cl ZINC000095723510 173311212 /nfs/dbraw/zinc/31/12/12/173311212.db2.gz IBINLHQGNLAHRG-UHFFFAOYSA-N 0 0 225.675 2.241 10 0 BEAERN CNC(=O)c1cccc(NC2CCC2)c1C ZINC000044481547 173311766 /nfs/dbraw/zinc/31/17/66/173311766.db2.gz OFVJDEGENOMKRN-UHFFFAOYSA-N 0 0 218.300 2.319 10 0 BEAERN CNC(=S)c1cc(Br)ccc1F ZINC000075856491 173317305 /nfs/dbraw/zinc/31/73/05/173317305.db2.gz GUEWHDRZVMZATD-UHFFFAOYSA-N 0 0 248.120 2.483 10 0 BEAERN CNC(C)(C)c1nc(Cc2ccccc2)no1 ZINC000061151311 173321048 /nfs/dbraw/zinc/32/10/48/173321048.db2.gz WFECGGNSCWSUQO-UHFFFAOYSA-N 0 0 231.299 2.115 10 0 BEAERN CNCc1nc(C2CCC(F)(F)CC2)no1 ZINC000328579721 173395486 /nfs/dbraw/zinc/39/54/86/173395486.db2.gz YGMZBSQMFVUUMO-UHFFFAOYSA-N 0 0 231.246 2.082 10 0 BEAERN CNCc1noc(-c2cc(C)ccc2C)n1 ZINC000051848698 173398577 /nfs/dbraw/zinc/39/85/77/173398577.db2.gz PTFHRAJACARODK-UHFFFAOYSA-N 0 0 217.272 2.073 10 0 BEAERN C[NH2+][C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000037181045 173411846 /nfs/dbraw/zinc/41/18/46/173411846.db2.gz WRUGSFJAEXFERU-GFCCVEGCSA-N 0 0 215.252 2.185 10 0 BEAERN CNc1c(O)cccc1Br ZINC000095721903 173471106 /nfs/dbraw/zinc/47/11/06/173471106.db2.gz WZWQNUNQHKDCFD-UHFFFAOYSA-N 0 0 202.051 2.196 10 0 BEAERN CNc1c(O)cccc1I ZINC000095721295 173471474 /nfs/dbraw/zinc/47/14/74/173471474.db2.gz HQOUVMGKTGBDAK-UHFFFAOYSA-N 0 0 249.051 2.039 10 0 BEAERN CNc1ccc(-c2cc(F)ccc2F)nn1 ZINC000050867866 173474623 /nfs/dbraw/zinc/47/46/23/173474623.db2.gz MEXFXCKMTJEMDD-UHFFFAOYSA-N 0 0 221.210 2.464 10 0 BEAERN CNc1ccc(C(=O)N[C@H]2CC2(C)C)cc1 ZINC000050776924 173478046 /nfs/dbraw/zinc/47/80/46/173478046.db2.gz CDTVWQNWILNWNX-NSHDSACASA-N 0 0 218.300 2.257 10 0 BEAERN CNc1ccc(OCc2nccn2C)cc1 ZINC000031977693 173480716 /nfs/dbraw/zinc/48/07/16/173480716.db2.gz HTAWEZLZTPRUHE-UHFFFAOYSA-N 0 0 217.272 2.041 10 0 BEAERN COC(=O)/C=C/c1cc(Cl)ccc1O ZINC000038293442 173496515 /nfs/dbraw/zinc/49/65/15/173496515.db2.gz WNOPDBFXHXNUJN-GORDUTHDSA-N 0 0 212.632 2.232 10 0 BEAERN COC(=O)/C=C\c1c[nH]c2ccccc12 ZINC000014517549 173498032 /nfs/dbraw/zinc/49/80/32/173498032.db2.gz JKVXFZPEUCTHQO-SREVYHEPSA-N 0 0 201.225 2.354 10 0 BEAERN COC(=O)CNCc1ccc(C(C)C)cc1 ZINC000019885308 173603852 /nfs/dbraw/zinc/60/38/52/173603852.db2.gz WEWZOZHRJYGVPF-UHFFFAOYSA-N 0 0 221.300 2.073 10 0 BEAERN COC(=O)N(Cc1ccccc1N)C(C)C ZINC000035365742 173650486 /nfs/dbraw/zinc/65/04/86/173650486.db2.gz HNZKOPTYHWOJET-UHFFFAOYSA-N 0 0 222.288 2.246 10 0 BEAERN COC(=O)N[C@H](CC(C)=O)c1ccc(F)cc1 ZINC000007992330 173660455 /nfs/dbraw/zinc/66/04/55/173660455.db2.gz CPKASTAFMXSYJU-LLVKDONJSA-N 0 0 239.246 2.202 10 0 BEAERN COC(=O)[C@@H](Nc1ccccc1)c1cccnc1 ZINC000037954122 173712984 /nfs/dbraw/zinc/71/29/84/173712984.db2.gz HMZPIDACCJDLTE-ZDUSSCGKSA-N 0 0 242.278 2.408 10 0 BEAERN COC(=O)[C@H](C)Nc1cc(F)cc(F)c1F ZINC000061095730 173788695 /nfs/dbraw/zinc/78/86/95/173788695.db2.gz LKLJTZYKFJBPMW-YFKPBYRVSA-N 0 0 233.189 2.077 10 0 BEAERN COC(=O)[C@H](C)Oc1ccnc2c(F)cccc12 ZINC000045928054 173789764 /nfs/dbraw/zinc/78/97/64/173789764.db2.gz TXIYTNVPRMXTFC-QMMMGPOBSA-N 0 0 249.241 2.314 10 0 BEAERN COC(=O)[C@H](NCC(C)C)c1cccc(F)c1 ZINC000037965873 173803201 /nfs/dbraw/zinc/80/32/01/173803201.db2.gz MSYVVHJRQIBJGA-GFCCVEGCSA-N 0 0 239.290 2.285 10 0 BEAERN COC(=O)[C@](C)(Nc1cccc(OC)c1)C1CC1 ZINC000037961224 173833229 /nfs/dbraw/zinc/83/32/29/173833229.db2.gz POWMFSCKQOPDJI-CQSZACIVSA-N 0 0 249.310 2.449 10 0 BEAERN COC(=O)c1c[nH]c(C2(c3ccccc3)CC2)n1 ZINC000062782190 173845469 /nfs/dbraw/zinc/84/54/69/173845469.db2.gz VBSNNAHFRCPGGR-UHFFFAOYSA-N 0 0 242.278 2.276 10 0 BEAERN COC(=O)c1cc(OC)c2ccccc2c1O ZINC000082298417 173862380 /nfs/dbraw/zinc/86/23/80/173862380.db2.gz VCHORIUYKOWBCQ-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN COC(=O)c1cc2c(cc1O)CCCC2 ZINC000004976402 173863125 /nfs/dbraw/zinc/86/31/25/173863125.db2.gz YRGJVRHNWPDXMH-UHFFFAOYSA-N 0 0 206.241 2.058 10 0 BEAERN COC(=O)c1ccc2c(F)ccnc2c1 ZINC000261508264 173888930 /nfs/dbraw/zinc/88/89/30/173888930.db2.gz QXNFKQKRIHODNT-UHFFFAOYSA-N 0 0 205.188 2.161 10 0 BEAERN COC(=O)c1nc(C2CC2)nc(Cl)c1Cl ZINC000098180293 173915588 /nfs/dbraw/zinc/91/55/88/173915588.db2.gz LCBDTKPUPFVVOC-UHFFFAOYSA-N 0 0 247.081 2.447 10 0 BEAERN COC1=CC(=O)O[C@@H](c2ccccc2)C1 ZINC000021999089 174013529 /nfs/dbraw/zinc/01/35/29/174013529.db2.gz QJWYZCXQARCGMV-LLVKDONJSA-N 0 0 204.225 2.205 10 0 BEAERN COCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162730862 174056763 /nfs/dbraw/zinc/05/67/63/174056763.db2.gz PKZZCFQIBUIQPA-GWCFXTLKSA-N 0 0 233.311 2.388 10 0 BEAERN COCCCNc1cccc(NC(C)=O)c1 ZINC000037753701 174252127 /nfs/dbraw/zinc/25/21/27/174252127.db2.gz MBZMLKFRGOLJNF-UHFFFAOYSA-N 0 0 222.288 2.093 10 0 BEAERN COCCCOc1ccc(N)c2cnccc12 ZINC000037746812 174257258 /nfs/dbraw/zinc/25/72/58/174257258.db2.gz KQAHMSZISYWFDY-UHFFFAOYSA-N 0 0 232.283 2.232 10 0 BEAERN COCCCS(=O)(=O)[C@@H](C)c1ccccc1 ZINC000129380832 174258360 /nfs/dbraw/zinc/25/83/60/174258360.db2.gz ZAHHXMHMQYDSRO-NSHDSACASA-N 0 0 242.340 2.199 10 0 BEAERN COCCN(c1ccc(F)cc1C=O)C1CC1 ZINC000042518583 174301878 /nfs/dbraw/zinc/30/18/78/174301878.db2.gz PXSIVEJXVYWEMV-UHFFFAOYSA-N 0 0 237.274 2.253 10 0 BEAERN COCCNc1n[nH]c(-c2ccccc2)c1C ZINC000062669810 174340625 /nfs/dbraw/zinc/34/06/25/174340625.db2.gz KHXBZCGJAGVBLR-UHFFFAOYSA-N 0 0 231.299 2.443 10 0 BEAERN COCCNc1cc(-c2ccc(C)cc2)[nH]n1 ZINC000062669673 174341291 /nfs/dbraw/zinc/34/12/91/174341291.db2.gz VIRFVTNIZSMCCC-UHFFFAOYSA-N 0 0 231.299 2.443 10 0 BEAERN COCCNc1nc(Cl)cc(C(C)(C)C)n1 ZINC000057331254 174341985 /nfs/dbraw/zinc/34/19/85/174341985.db2.gz XJTATKMYOBXZII-UHFFFAOYSA-N 0 0 243.738 2.486 10 0 BEAERN COCCOc1ccc2ccccc2c1CO ZINC000035630848 174370079 /nfs/dbraw/zinc/37/00/79/174370079.db2.gz ZYBKFXPOQWVMFQ-UHFFFAOYSA-N 0 0 232.279 2.357 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000103357032 174439056 /nfs/dbraw/zinc/43/90/56/174439056.db2.gz ZISJJCQZHNSBMZ-SECBINFHSA-N 0 0 235.283 2.110 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000103370417 174439167 /nfs/dbraw/zinc/43/91/67/174439167.db2.gz ATHAGSMCGLZBKO-MRVPVSSYSA-N 0 0 248.282 2.357 10 0 BEAERN COC[C@H](C)C(=O)NCC(C)(C)c1ccccc1 ZINC000103374330 174526313 /nfs/dbraw/zinc/52/63/13/174526313.db2.gz MNEMZUKXJGLCCC-LBPRGKRZSA-N 0 0 249.354 2.363 10 0 BEAERN COC[C@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000128231806 174526491 /nfs/dbraw/zinc/52/64/91/174526491.db2.gz KFSBVERXXFVVIT-JTQLQIEISA-N 0 0 227.348 2.354 10 0 BEAERN COC[C@H](C)C(=O)NCc1cccc(Cl)c1 ZINC000103357070 174526981 /nfs/dbraw/zinc/52/69/81/174526981.db2.gz CEJHTMWVSPRSMM-VIFPVBQESA-N 0 0 241.718 2.239 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000103358486 174529135 /nfs/dbraw/zinc/52/91/35/174529135.db2.gz WIQKASGAKFSQLK-JTQLQIEISA-N 0 0 233.311 2.396 10 0 BEAERN COC[C@H](C)c1nc(COc2ccccc2)no1 ZINC000109483859 174560230 /nfs/dbraw/zinc/56/02/30/174560230.db2.gz RSNJOYRNRFSHGU-JTQLQIEISA-N 0 0 248.282 2.399 10 0 BEAERN COCc1cc(N)c2ccc(F)c(F)c2n1 ZINC000051698681 174620141 /nfs/dbraw/zinc/62/01/41/174620141.db2.gz RWOUQPXYVZXORP-UHFFFAOYSA-N 0 0 224.210 2.242 10 0 BEAERN COCc1ccc(C(=O)Nc2ccncc2C)o1 ZINC000107287192 174620660 /nfs/dbraw/zinc/62/06/60/174620660.db2.gz AXSFFQOJURWSFK-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN COCc1ccccc1N[C@@H]1CCC[C@@H]1O ZINC000049508354 174635874 /nfs/dbraw/zinc/63/58/74/174635874.db2.gz ULNBUBCPUJPDCG-OLZOCXBDSA-N 0 0 221.300 2.158 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1ccc(N)cc1F ZINC000050368792 174753267 /nfs/dbraw/zinc/75/32/67/174753267.db2.gz GUEOFYBOILCTIP-VXGBXAGGSA-N 0 0 224.279 2.387 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1cc(C)nc(Cl)n1 ZINC000052815008 174753637 /nfs/dbraw/zinc/75/36/37/174753637.db2.gz IHGPUCNRVGRFRU-RKDXNWHRSA-N 0 0 241.722 2.418 10 0 BEAERN CO[C@H](c1noc([C@@H]2OCC[C@@H]2C)n1)C1CC1 ZINC000333869180 174873139 /nfs/dbraw/zinc/87/31/39/174873139.db2.gz UCKIZALJRQHABY-SFGNSQDASA-N 0 0 238.287 2.265 10 0 BEAERN CO[C@H]1CCC[C@@H]1Nc1cc(Cl)nc(C)n1 ZINC000052837430 174882138 /nfs/dbraw/zinc/88/21/38/174882138.db2.gz NQEKBUMXIBHWPY-IUCAKERBSA-N 0 0 241.722 2.418 10 0 BEAERN COc1c(Cl)cc(Cl)cc1[C@H](O)CO ZINC000071547546 174930288 /nfs/dbraw/zinc/93/02/88/174930288.db2.gz GBOGGVILDCCYJQ-MRVPVSSYSA-N 0 0 237.082 2.028 10 0 BEAERN COc1cc(/C=C/c2ccccc2)nc(N)n1 ZINC000039473582 174941089 /nfs/dbraw/zinc/94/10/89/174941089.db2.gz AHCAIHMKRAQOER-BQYQJAHWSA-N 0 0 227.267 2.238 10 0 BEAERN COc1cc(C)cc(C)c1[C@H](O)CCCO ZINC000082539954 174964815 /nfs/dbraw/zinc/96/48/15/174964815.db2.gz XMWDCYAXOPUJHO-LLVKDONJSA-N 0 0 224.300 2.118 10 0 BEAERN COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)[O-] ZINC000049357665 174970863 /nfs/dbraw/zinc/97/08/63/174970863.db2.gz VZUKUIMVBNEZJL-ZJUUUORDSA-N 0 0 237.299 2.127 10 0 BEAERN COc1cc(C=O)c(F)cc1-n1cnc(C)c1 ZINC000095938042 174975850 /nfs/dbraw/zinc/97/58/50/174975850.db2.gz NGFXMQNVHNCHKL-UHFFFAOYSA-N 0 0 234.230 2.141 10 0 BEAERN COc1cc(N)ccc1-c1ncc(C)o1 ZINC000098123850 174996103 /nfs/dbraw/zinc/99/61/03/174996103.db2.gz BRRAHCVTEJXISS-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1cc(NC[C@@H]2CCCO2)cc(OC)c1 ZINC000020046058 175002415 /nfs/dbraw/zinc/00/24/15/175002415.db2.gz DMOASNXAORGANW-NSHDSACASA-N 0 0 237.299 2.295 10 0 BEAERN COc1cc(OC(C)C)nc(C2CC2)n1 ZINC000039121140 175006256 /nfs/dbraw/zinc/00/62/56/175006256.db2.gz SGOGLMIMJWHOQV-UHFFFAOYSA-N 0 0 208.261 2.150 10 0 BEAERN COc1cc(OCC2CCOCC2)ccc1N ZINC000104252368 175012237 /nfs/dbraw/zinc/01/22/37/175012237.db2.gz NPCJEEXIUPNKBD-UHFFFAOYSA-N 0 0 237.299 2.083 10 0 BEAERN COc1cc([C@@H]2CCC2=O)c(OC)cc1C ZINC000095831263 175015026 /nfs/dbraw/zinc/01/50/26/175015026.db2.gz YRKHTCUHLOSRFA-VIFPVBQESA-N 0 0 220.268 2.459 10 0 BEAERN COc1cc([C@@H]2CC[C@H]2O)c(OC)cc1C ZINC000095831261 175015132 /nfs/dbraw/zinc/01/51/32/175015132.db2.gz VHPRRUPLZOBGOU-GXSJLCMTSA-N 0 0 222.284 2.251 10 0 BEAERN COc1cc2[nH]cc(C=O)c2c(OC)c1OC ZINC000058823830 175018536 /nfs/dbraw/zinc/01/85/36/175018536.db2.gz XPIXZRHCUKXHSQ-UHFFFAOYSA-N 0 0 235.239 2.006 10 0 BEAERN COc1cc2c(cc1OC)[C@H](C)[NH2+][C@H](C)C2 ZINC000082785499 175025172 /nfs/dbraw/zinc/02/51/72/175025172.db2.gz PWKFIIODJAWALD-BDAKNGLRSA-N 0 0 221.300 2.299 10 0 BEAERN COc1cc2ncnc(NC3CC3)c2cc1OC ZINC000032544266 175029039 /nfs/dbraw/zinc/02/90/39/175029039.db2.gz LBQRAESOXNRTKU-UHFFFAOYSA-N 0 0 245.282 2.221 10 0 BEAERN COc1ccc(-c2n[nH]cc2C=O)cc1C ZINC000082168378 175029045 /nfs/dbraw/zinc/02/90/45/175029045.db2.gz RNDIOPZLCMZDSF-UHFFFAOYSA-N 0 0 216.240 2.206 10 0 BEAERN COc1ccc(-c2cc(=O)cc[nH]2)cc1 ZINC000065355674 175029914 /nfs/dbraw/zinc/02/99/14/175029914.db2.gz CRSBQVWIYDGDFP-UHFFFAOYSA-N 0 0 201.225 2.051 10 0 BEAERN COc1ccc(-c2cc(C)nc(NC#N)n2)cc1 ZINC000072417292 175030818 /nfs/dbraw/zinc/03/08/18/175030818.db2.gz FCKLZLYSHJYSKE-UHFFFAOYSA-N 0 0 240.266 2.354 10 0 BEAERN COc1ccc(-c2cc(N)nc(C)n2)cc1OC ZINC000071559682 175031502 /nfs/dbraw/zinc/03/15/02/175031502.db2.gz LTJDJMQAUGUYAJ-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(-c2cnnc(Cl)n2)cc1 ZINC000082538768 175037244 /nfs/dbraw/zinc/03/72/44/175037244.db2.gz UAZCSSRQALPMHM-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN COc1ccc(-c2n[nH]c(CC(C)C)n2)cc1N ZINC000072237668 175038035 /nfs/dbraw/zinc/03/80/35/175038035.db2.gz AAFTVJAPPLXEHW-UHFFFAOYSA-N 0 0 246.314 2.261 10 0 BEAERN COc1ccc(-c2nc(C)cc(N)n2)cc1OC ZINC000050845130 175038612 /nfs/dbraw/zinc/03/86/12/175038612.db2.gz ASEOPRJLTAZUJB-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(-c2nc(C)c[nH]2)cc1OC ZINC000041231023 175038650 /nfs/dbraw/zinc/03/86/50/175038650.db2.gz QCWUWGWUVXQJOD-UHFFFAOYSA-N 0 0 218.256 2.402 10 0 BEAERN COc1ccc(-c2nc(C)cc(N)n2)cc1F ZINC000071536760 175039091 /nfs/dbraw/zinc/03/90/91/175039091.db2.gz KVIFJCQFJJFTPM-UHFFFAOYSA-N 0 0 233.246 2.182 10 0 BEAERN COc1c[nH]c(-c2ccc(OC)cc2)n1 ZINC000059075682 175039905 /nfs/dbraw/zinc/03/99/05/175039905.db2.gz HNXHSTJKVXPKLH-UHFFFAOYSA-N 0 0 204.229 2.094 10 0 BEAERN COc1ccc(-c2nc3c(c(N)n2)CCC3)cc1 ZINC000050844641 175039914 /nfs/dbraw/zinc/03/99/14/175039914.db2.gz CIYWNDRQYICUKW-UHFFFAOYSA-N 0 0 241.294 2.223 10 0 BEAERN COc1ccc(/C=C\[N+](=O)[O-])c(Cl)c1O ZINC000083312739 175048983 /nfs/dbraw/zinc/04/89/83/175048983.db2.gz QZEDAZIMUBBLPG-PLNGDYQASA-N 0 0 229.619 2.302 10 0 BEAERN COc1ccc(C(=O)CN2CCCCC2)cc1 ZINC000003068291 175053509 /nfs/dbraw/zinc/05/35/09/175053509.db2.gz DHVPYLORVFNGLD-UHFFFAOYSA-N 0 0 233.311 2.364 10 0 BEAERN COc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1N ZINC000036782767 175055044 /nfs/dbraw/zinc/05/50/44/175055044.db2.gz MTBBZHCOMCVWSJ-VIFPVBQESA-N 0 0 248.326 2.148 10 0 BEAERN COc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)c(F)c1 ZINC000336590073 175057959 /nfs/dbraw/zinc/05/79/59/175057959.db2.gz WQZLGFHQLDHYME-NOZJJQNGSA-N 0 0 249.285 2.459 10 0 BEAERN COc1ccc(C)cc1-c1nnc([C@@H](C)N)o1 ZINC000052944057 175072236 /nfs/dbraw/zinc/07/22/36/175072236.db2.gz RPVBTMMTUQJTNX-MRVPVSSYSA-N 0 0 233.271 2.073 10 0 BEAERN COc1ccc(C)cc1NCc1ncc[nH]1 ZINC000049714541 175078780 /nfs/dbraw/zinc/07/87/80/175078780.db2.gz GBAIJNOVXVVVST-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccc(C)cc1[C@@H](C)NC1COC1 ZINC000087194826 175079396 /nfs/dbraw/zinc/07/93/96/175079396.db2.gz VRSGCXNLRMJXJB-SNVBAGLBSA-N 0 0 221.300 2.053 10 0 BEAERN COc1ccc(CC(=O)c2ncccn2)cc1F ZINC000053766412 175087463 /nfs/dbraw/zinc/08/74/63/175087463.db2.gz ZPIMASWYOXWZFH-UHFFFAOYSA-N 0 0 246.241 2.050 10 0 BEAERN COc1ccc(CC(C)(C)CO)cc1F ZINC000049815137 175088111 /nfs/dbraw/zinc/08/81/11/175088111.db2.gz UQCJAZUOAVSDBW-UHFFFAOYSA-N 0 0 212.264 2.395 10 0 BEAERN COc1ccc(CCC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075522274 175088726 /nfs/dbraw/zinc/08/87/26/175088726.db2.gz IMGQEPUDIDTADT-GWCFXTLKSA-N 0 0 233.311 2.152 10 0 BEAERN COc1ccc(CCC(OC)OC)cc1 ZINC000095933483 175088730 /nfs/dbraw/zinc/08/87/30/175088730.db2.gz WLFMKSWDIFIQLE-UHFFFAOYSA-N 0 0 210.273 2.247 10 0 BEAERN COc1ccc(CCNc2ncccc2N)cc1 ZINC000020278638 175092821 /nfs/dbraw/zinc/09/28/21/175092821.db2.gz VJLCNEHVMSVJEP-UHFFFAOYSA-N 0 0 243.310 2.327 10 0 BEAERN COc1ccc(CC[C@@H]2COCCC2=O)cc1 ZINC000076680791 175093407 /nfs/dbraw/zinc/09/34/07/175093407.db2.gz PGBQXHQAXNTJMV-GFCCVEGCSA-N 0 0 234.295 2.233 10 0 BEAERN COc1ccc(C[C@@H](C)[C@@H](C)O)cc1F ZINC000041226261 175115902 /nfs/dbraw/zinc/11/59/02/175115902.db2.gz KQKPDDWAVWYDSZ-RKDXNWHRSA-N 0 0 212.264 2.394 10 0 BEAERN COc1ccc(C[C@H](C)Nc2cn[nH]c2)cc1 ZINC000035763514 175116964 /nfs/dbraw/zinc/11/69/64/175116964.db2.gz KFXYLBIBUPNWRP-JTQLQIEISA-N 0 0 231.299 2.461 10 0 BEAERN COc1ccc(Cl)c2c1CC(=O)CC2 ZINC000034514789 175118365 /nfs/dbraw/zinc/11/83/65/175118365.db2.gz TYYGBVYIWWOBMR-UHFFFAOYSA-N 0 0 210.660 2.406 10 0 BEAERN COc1ccc(Cl)c2[nH]ccc(=O)c12 ZINC000027869216 175118915 /nfs/dbraw/zinc/11/89/15/175118915.db2.gz NVAUPUJRLGTTQI-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN COc1ccc(Cl)cc1C(=O)c1cnccn1 ZINC000055199627 175120592 /nfs/dbraw/zinc/12/05/92/175120592.db2.gz DTUXXYCMESQFQN-UHFFFAOYSA-N 0 0 248.669 2.370 10 0 BEAERN COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075529205 175120876 /nfs/dbraw/zinc/12/08/76/175120876.db2.gz AJBSZTKMQBMHRS-OIBJUYFYSA-N 0 0 239.702 2.487 10 0 BEAERN COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]1C ZINC000291290060 175130551 /nfs/dbraw/zinc/13/05/51/175130551.db2.gz VNFVLNUMTFVFBN-KCJUWKMLSA-N 0 0 209.264 2.332 10 0 BEAERN COc1ccc(F)cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000092117968 175131389 /nfs/dbraw/zinc/13/13/89/175131389.db2.gz WSWAUSPLGPNTRR-CBAPKCEASA-N 0 0 238.262 2.364 10 0 BEAERN COc1ccc(F)cc1[C@H](N)C(F)(F)F ZINC000020470437 175134460 /nfs/dbraw/zinc/13/44/60/175134460.db2.gz BMQWJIKEXIPWGD-QMMMGPOBSA-N 0 0 223.169 2.396 10 0 BEAERN COc1ccc(N)cc1NC(=O)CC(F)(F)F ZINC000022145180 175138622 /nfs/dbraw/zinc/13/86/22/175138622.db2.gz BBRQVUZOVPGDJP-UHFFFAOYSA-N 0 0 248.204 2.168 10 0 BEAERN COc1ccc(NC(=O)OCC(C)C)c(N)c1 ZINC000019815573 175144099 /nfs/dbraw/zinc/14/40/99/175144099.db2.gz QARAPVKZTHFVOF-UHFFFAOYSA-N 0 0 238.287 2.482 10 0 BEAERN COc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190269496 175146440 /nfs/dbraw/zinc/14/64/40/175146440.db2.gz NFPPQTMGMWOTFC-MFKMUULPSA-N 0 0 249.310 2.449 10 0 BEAERN COc1ccc(NC(N)=O)c(Cl)c1Cl ZINC000083256557 175149673 /nfs/dbraw/zinc/14/96/73/175149673.db2.gz JCRHDWYTLWDEPN-UHFFFAOYSA-N 0 0 235.070 2.493 10 0 BEAERN COc1ccc(NCC(C)(C)CO)cc1 ZINC000082711376 175150443 /nfs/dbraw/zinc/15/04/43/175150443.db2.gz SIBDNJNLCPGFEZ-UHFFFAOYSA-N 0 0 209.289 2.126 10 0 BEAERN COc1ccc(NC[C@H]2CCCOC2)cc1O ZINC000104326349 175151703 /nfs/dbraw/zinc/15/17/03/175151703.db2.gz NPIAJYXBNVPCED-SNVBAGLBSA-N 0 0 237.299 2.239 10 0 BEAERN COc1ccc(NC[C@@H]2CCCO2)cc1OC ZINC000020045710 175152024 /nfs/dbraw/zinc/15/20/24/175152024.db2.gz FEJGXMYMRVORKB-NSHDSACASA-N 0 0 237.299 2.295 10 0 BEAERN COc1ccc(NCc2cncnc2)c(OC)c1 ZINC000054766869 175152667 /nfs/dbraw/zinc/15/26/67/175152667.db2.gz XJFHVEXRVSZHRS-UHFFFAOYSA-N 0 0 245.282 2.106 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@@H]2O)cc1C ZINC000049530110 175153679 /nfs/dbraw/zinc/15/36/79/175153679.db2.gz URCJFCYJOZMNQW-NEPJUHHUSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(N[C@@H]2CCC[C@H]2O)cc1F ZINC000037690135 175154219 /nfs/dbraw/zinc/15/42/19/175154219.db2.gz JIZMIWWEBXSJKP-GHMZBOCLSA-N 0 0 225.263 2.160 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@@H]2O)cc1F ZINC000037690134 175155230 /nfs/dbraw/zinc/15/52/30/175155230.db2.gz JIZMIWWEBXSJKP-QWRGUYRKSA-N 0 0 225.263 2.160 10 0 BEAERN COc1ccc(OC)c(-c2cc(C)nc(N)n2)c1 ZINC000052837853 175163114 /nfs/dbraw/zinc/16/31/14/175163114.db2.gz CQDRWCRVCNDPFD-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(OC)c(-n2cccc2)c1 ZINC000001753164 175163581 /nfs/dbraw/zinc/16/35/81/175163581.db2.gz DLIIZHCQHKIGMI-UHFFFAOYSA-N 0 0 203.241 2.495 10 0 BEAERN COc1ccc(OC)c(-c2csc(=O)[nH]2)c1 ZINC000034669910 175163918 /nfs/dbraw/zinc/16/39/18/175163918.db2.gz PBTCUINOLAXIKT-UHFFFAOYSA-N 0 0 237.280 2.121 10 0 BEAERN COc1ccc(OC)c([C@@H](N)c2ccco2)c1 ZINC000035379799 175167986 /nfs/dbraw/zinc/16/79/86/175167986.db2.gz DZFCLIVPNJWFAK-CYBMUJFWSA-N 0 0 233.267 2.345 10 0 BEAERN COc1ccc(OC)c2sc(CO)cc21 ZINC000039170183 175171281 /nfs/dbraw/zinc/17/12/81/175171281.db2.gz CBFMKYQUDWCPKT-UHFFFAOYSA-N 0 0 224.281 2.411 10 0 BEAERN COc1ccc(Oc2cc(N)ccn2)cc1 ZINC000043569419 175173493 /nfs/dbraw/zinc/17/34/93/175173493.db2.gz LZELJBHEPZUAJB-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccc([C@@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324354 175179158 /nfs/dbraw/zinc/17/91/58/175179158.db2.gz OQODIHGTHSRRNO-LBPRGKRZSA-N 0 0 237.299 2.340 10 0 BEAERN COc1ccc([C@@H]([NH3+])CCCC(=O)[O-])c(F)c1 ZINC000036767247 175179525 /nfs/dbraw/zinc/17/95/25/175179525.db2.gz RSELXKHENJFVBJ-NSHDSACASA-N 0 0 241.262 2.089 10 0 BEAERN COc1ccc([C@@H](N)c2ccco2)cc1OC ZINC000035379600 175180335 /nfs/dbraw/zinc/18/03/35/175180335.db2.gz KPXXYZZQKMEMGT-CYBMUJFWSA-N 0 0 233.267 2.345 10 0 BEAERN COc1ccc([C@@H](N)c2ccco2)cc1F ZINC000035424401 175180375 /nfs/dbraw/zinc/18/03/75/175180375.db2.gz PEYUQQQAMXMTLM-GFCCVEGCSA-N 0 0 221.231 2.475 10 0 BEAERN COc1ccc([C@@H]2Cc3n[nH]cc3[C@@H](O)C2)cc1 ZINC000072415194 175185030 /nfs/dbraw/zinc/18/50/30/175185030.db2.gz CABAMYJWUPJCQX-YGRLFVJLSA-N 0 0 244.294 2.182 10 0 BEAERN COc1ccc([C@H](C)NCc2ncc[nH]2)cc1F ZINC000049715218 175189154 /nfs/dbraw/zinc/18/91/54/175189154.db2.gz NNXXQLSSMWQSQK-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN COc1ccc2c(c1)CCC[C@@H]2NC(C)=O ZINC000208343945 175207974 /nfs/dbraw/zinc/20/79/74/175207974.db2.gz PUXYBNNARUNFFV-ZDUSSCGKSA-N 0 0 219.284 2.209 10 0 BEAERN COc1ccc2c(c1)CC1(CCC(O)CC1)C2=O ZINC000095835482 175207976 /nfs/dbraw/zinc/20/79/76/175207976.db2.gz DSMYTFGCOWUEOE-UHFFFAOYSA-N 0 0 246.306 2.355 10 0 BEAERN COc1ccc2c(c1)[C@@H](CCNC(C)=O)CC2 ZINC000000021167 175213426 /nfs/dbraw/zinc/21/34/26/175213426.db2.gz UOVGAGSCHHZUPU-GFCCVEGCSA-N 0 0 233.311 2.251 10 0 BEAERN COc1ccc2c(c1)C(=O)CN2C(C)=O ZINC000145244838 175217898 /nfs/dbraw/zinc/21/78/98/175217898.db2.gz PZXOWEYOGUQVBZ-UHFFFAOYSA-N 0 0 205.213 2.016 10 0 BEAERN COc1ccc2c(c1OC)C(=O)[C@H](C)C2 ZINC000027654580 175221976 /nfs/dbraw/zinc/22/19/76/175221976.db2.gz UCMACRIRPLDMDR-SSDOTTSWSA-N 0 0 206.241 2.079 10 0 BEAERN COc1ccc2cc([C@H]([NH3+])CC(=O)[O-])ccc2c1 ZINC000002597564 175224784 /nfs/dbraw/zinc/22/47/84/175224784.db2.gz FQHYSNWCINTNIP-CYBMUJFWSA-N 0 0 245.278 2.323 10 0 BEAERN COc1ccc2cnnc(Cl)c2c1OC ZINC000026466273 175226906 /nfs/dbraw/zinc/22/69/06/175226906.db2.gz VBNQWHUVLGXGJD-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN COc1ccc2nc(Br)n(C)c2c1 ZINC000075842574 175227026 /nfs/dbraw/zinc/22/70/26/175227026.db2.gz WJMOEILEKMUWBA-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN COc1ccc2[nH]c(Br)nc2c1 ZINC000089195007 175226958 /nfs/dbraw/zinc/22/69/58/175226958.db2.gz YMOFUEPKIWAVFT-UHFFFAOYSA-N 0 0 227.061 2.334 10 0 BEAERN COc1ccc2nc(C(=O)NC3CC3)ccc2c1 ZINC000026067814 175227727 /nfs/dbraw/zinc/22/77/27/175227727.db2.gz MJNMJSXQQBGLBP-UHFFFAOYSA-N 0 0 242.278 2.136 10 0 BEAERN COc1ccc2nc(N(C)C)sc2c1 ZINC000045237294 175228535 /nfs/dbraw/zinc/22/85/35/175228535.db2.gz XBWIYTCONCQCQR-UHFFFAOYSA-N 0 0 208.286 2.371 10 0 BEAERN COc1ccc2[nH+]cc(C(=O)[O-])c(N(C)C)c2c1 ZINC000032500196 175230286 /nfs/dbraw/zinc/23/02/86/175230286.db2.gz CJPOEZOFLGDFKE-UHFFFAOYSA-N 0 0 246.266 2.008 10 0 BEAERN COc1cccc(-c2noc(N)c2C)c1 ZINC000026512459 175238294 /nfs/dbraw/zinc/23/82/94/175238294.db2.gz WVGDEAJYTFNXNW-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1cccc(-c2noc(C)c2CO)c1 ZINC000057499857 175238307 /nfs/dbraw/zinc/23/83/07/175238307.db2.gz FQQVOLJTFZMCQN-UHFFFAOYSA-N 0 0 219.240 2.151 10 0 BEAERN COc1cccc(-c2scnc2N)c1 ZINC000082532620 175238863 /nfs/dbraw/zinc/23/88/63/175238863.db2.gz MBSWSGKRFLSYAY-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1cccc(C(=O)C[C@@H]2CCCO2)c1 ZINC000037464120 175242040 /nfs/dbraw/zinc/24/20/40/175242040.db2.gz OPFDDZKNQFJRIT-LBPRGKRZSA-N 0 0 220.268 2.447 10 0 BEAERN COc1cccc(C(=O)CN2CCC[C@@H]2C)c1 ZINC000037911577 175242568 /nfs/dbraw/zinc/24/25/68/175242568.db2.gz XPYYEWHNUADJPR-NSHDSACASA-N 0 0 233.311 2.362 10 0 BEAERN COc1cccc(C(=O)[C@H]2CCCOC2)c1 ZINC000082365628 175247345 /nfs/dbraw/zinc/24/73/45/175247345.db2.gz MYEUHCLFSPIVLM-NSHDSACASA-N 0 0 220.268 2.305 10 0 BEAERN COc1cccc(CCC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075521934 175250602 /nfs/dbraw/zinc/25/06/02/175250602.db2.gz LANAQQFWHFQUFK-GXFFZTMASA-N 0 0 233.311 2.152 10 0 BEAERN COc1cccc(CSc2nnc(C)n2C)c1 ZINC000001332987 175270499 /nfs/dbraw/zinc/27/04/99/175270499.db2.gz WNPIJNWMHBBXRW-UHFFFAOYSA-N 0 0 249.339 2.424 10 0 BEAERN COc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000121725200 175277279 /nfs/dbraw/zinc/27/72/79/175277279.db2.gz VPTAZDMKJXQXPI-CABZTGNLSA-N 0 0 235.283 2.201 10 0 BEAERN COc1cccc(OC)c1/C=C(/C)[N+](=O)[O-] ZINC000033845461 175281025 /nfs/dbraw/zinc/28/10/25/175281025.db2.gz BTHUWEKTWWOHCT-FPLPWBNLSA-N 0 0 223.228 2.341 10 0 BEAERN COc1cccc([C@H](N)C(F)(F)F)c1F ZINC000072194901 175293925 /nfs/dbraw/zinc/29/39/25/175293925.db2.gz QWKIAJWKDXXEJO-QMMMGPOBSA-N 0 0 223.169 2.396 10 0 BEAERN COc1cccc([C@](C)(O)c2cncc(F)c2)c1 ZINC000049576976 175296601 /nfs/dbraw/zinc/29/66/01/175296601.db2.gz WVULFEYCDFHKFY-AWEZNQCLSA-N 0 0 247.269 2.485 10 0 BEAERN COc1cccc2c(O)c(C=O)ccc12 ZINC000036437237 175300118 /nfs/dbraw/zinc/30/01/18/175300118.db2.gz JHCBTEGFYKOJGR-UHFFFAOYSA-N 0 0 202.209 2.367 10 0 BEAERN COc1cccc2c1C(C)(C)OC(=O)N2 ZINC000039093429 175300645 /nfs/dbraw/zinc/30/06/45/175300645.db2.gz NZXNJCJLHDHTNS-UHFFFAOYSA-N 0 0 207.229 2.492 10 0 BEAERN COc1ccccc1-c1cc(=O)cc[nH]1 ZINC000065355667 175307941 /nfs/dbraw/zinc/30/79/41/175307941.db2.gz TZMJHCBGJXGKCG-UHFFFAOYSA-N 0 0 201.225 2.051 10 0 BEAERN COc1ccccc1-c1nc2c(c(N)n1)CCC2 ZINC000050844645 175310415 /nfs/dbraw/zinc/31/04/15/175310415.db2.gz MBIYHFGTFFMJHK-UHFFFAOYSA-N 0 0 241.294 2.223 10 0 BEAERN COc1ccccc1-c1ncc(N)s1 ZINC000044120502 175311985 /nfs/dbraw/zinc/31/19/85/175311985.db2.gz QCHKVWITZXWLJM-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccccc1-n1nc(C)c(C=O)c1C ZINC000032015889 175312537 /nfs/dbraw/zinc/31/25/37/175312537.db2.gz NRUQNIHCVPQXLO-UHFFFAOYSA-N 0 0 230.267 2.310 10 0 BEAERN COc1ccccc1-n1nc(C)c(C)c1N ZINC000062606175 175312986 /nfs/dbraw/zinc/31/29/86/175312986.db2.gz BVIFQJONJNBSLN-UHFFFAOYSA-N 0 0 217.272 2.080 10 0 BEAERN COc1ccccc1C(=O)C(=O)N[C@H](C)C(C)C ZINC000185466241 175316202 /nfs/dbraw/zinc/31/62/02/175316202.db2.gz YVWRATDRJZXTMT-SNVBAGLBSA-N 0 0 249.310 2.039 10 0 BEAERN COc1ccccc1C1CC([NH2+][C@@H](C)C(=O)[O-])C1 ZINC000049356610 175320970 /nfs/dbraw/zinc/32/09/70/175320970.db2.gz SGDXVJXKTUKOQV-WHXUTIOJSA-N 0 0 249.310 2.004 10 0 BEAERN COc1ccccc1CN(C)C(=O)N[C@H]1C[C@@H]1C ZINC000170809160 175324635 /nfs/dbraw/zinc/32/46/35/175324635.db2.gz XZQUVXKPGLIDMS-JQWIXIFHSA-N 0 0 248.326 2.245 10 0 BEAERN COc1ccccc1CN(C)C(=O)N[C@@H]1C[C@@H]1C ZINC000170809163 175325256 /nfs/dbraw/zinc/32/52/56/175325256.db2.gz XZQUVXKPGLIDMS-CMPLNLGQSA-N 0 0 248.326 2.245 10 0 BEAERN COc1ccccc1CNc1ccc(=O)n(C)c1 ZINC000037785507 175331154 /nfs/dbraw/zinc/33/11/54/175331154.db2.gz WMVFDCQISBVXSY-UHFFFAOYSA-N 0 0 244.294 2.006 10 0 BEAERN COc1ccccc1C[C@@H](C)n1nccc1N ZINC000037734844 175332570 /nfs/dbraw/zinc/33/25/70/175332570.db2.gz WWBASMKQFQAOEE-SNVBAGLBSA-N 0 0 231.299 2.278 10 0 BEAERN COc1ccccc1C[C@@H](O)c1ccncc1 ZINC000043457739 175332650 /nfs/dbraw/zinc/33/26/50/175332650.db2.gz LQSGHUIPJJIKSM-CYBMUJFWSA-N 0 0 229.279 2.366 10 0 BEAERN COc1ccccc1NC1CCC(O)CC1 ZINC000082711499 175336545 /nfs/dbraw/zinc/33/65/45/175336545.db2.gz RWEQWQMYSJMEHN-UHFFFAOYSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccccc1NC1(C(N)=O)CCCCC1 ZINC000037944760 175336974 /nfs/dbraw/zinc/33/69/74/175336974.db2.gz BHXIILRXBHIHPM-UHFFFAOYSA-N 0 0 248.326 2.295 10 0 BEAERN COc1ccccc1NCc1[nH]cnc1C ZINC000054793508 175337744 /nfs/dbraw/zinc/33/77/44/175337744.db2.gz OHBLILLZTPISJB-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1ccccc1[C@@H](C)NCc1c[nH]cn1 ZINC000054763458 175344813 /nfs/dbraw/zinc/34/48/13/175344813.db2.gz IMVPHKJZMPCELN-SNVBAGLBSA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccccc1[C@@H](C)NCc1ncc[nH]1 ZINC000049714624 175346096 /nfs/dbraw/zinc/34/60/96/175346096.db2.gz IYMRFAIBULXWFI-SNVBAGLBSA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccccc1[C@@]1(C)NCCS1 ZINC000039105765 175349627 /nfs/dbraw/zinc/34/96/27/175349627.db2.gz NATSGDDTMSFWEK-NSHDSACASA-N 0 0 209.314 2.204 10 0 BEAERN COc1ccccc1[C@H](O)c1ccc(N)cc1 ZINC000019780076 175354260 /nfs/dbraw/zinc/35/42/60/175354260.db2.gz ACAOUQJHYDVINR-CQSZACIVSA-N 0 0 229.279 2.359 10 0 BEAERN COc1ccccc1[C@H](O)c1cccnc1 ZINC000037464796 175354628 /nfs/dbraw/zinc/35/46/28/175354628.db2.gz SQXKTRFMUXVUAU-CYBMUJFWSA-N 0 0 215.252 2.172 10 0 BEAERN COc1cnc(SC)c(OC2CC2)c1 ZINC000095728898 175381815 /nfs/dbraw/zinc/38/18/15/175381815.db2.gz XAWCSIORJFKEGU-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cnc2nccc(Br)c2c1 ZINC000067172953 175382499 /nfs/dbraw/zinc/38/24/99/175382499.db2.gz CMJGBPWYHPGXLU-UHFFFAOYSA-N 0 0 239.072 2.401 10 0 BEAERN COc1nc(Cl)c(C=O)cc1Cl ZINC000075606918 175391993 /nfs/dbraw/zinc/39/19/93/175391993.db2.gz DSVHLTHOEBVWFF-UHFFFAOYSA-N 0 0 206.028 2.210 10 0 BEAERN COc1nc(N(C)Cc2ccccc2)ccc1N ZINC000037066539 175392981 /nfs/dbraw/zinc/39/29/81/175392981.db2.gz PRHQTZYERCLDPY-UHFFFAOYSA-N 0 0 243.310 2.309 10 0 BEAERN COc1nc2c(s1)c(C=O)ccc2OC ZINC000045236299 175396747 /nfs/dbraw/zinc/39/67/47/175396747.db2.gz GTQZEDWGNJODKE-UHFFFAOYSA-N 0 0 223.253 2.126 10 0 BEAERN CSC1=NC(=O)C(=Cc2ccccc2C)N1 ZINC000100902453 175455695 /nfs/dbraw/zinc/45/56/95/175455695.db2.gz JXGBKUVNFIDUAW-YFHOEESVSA-N 0 0 232.308 2.185 10 0 BEAERN CSCCCC(=O)NCc1c(C)noc1C ZINC000119336284 175471439 /nfs/dbraw/zinc/47/14/39/175471439.db2.gz TZJABKXISRWGFJ-UHFFFAOYSA-N 0 0 242.344 2.051 10 0 BEAERN CSCc1noc(-c2sccc2N)n1 ZINC000054493785 175533764 /nfs/dbraw/zinc/53/37/64/175533764.db2.gz DFSOZQXEDFMQAI-UHFFFAOYSA-N 0 0 227.314 2.243 10 0 BEAERN CS[C@H](C)CCC(=O)N[C@H]1C[C@@H]1C ZINC000336665028 175560850 /nfs/dbraw/zinc/56/08/50/175560850.db2.gz XLCSTMHYGBRVGF-YIZRAAEISA-N 0 0 201.335 2.043 10 0 BEAERN CSc1ncc(Cl)c(C(C)=O)n1 ZINC000026507178 175589649 /nfs/dbraw/zinc/58/96/49/175589649.db2.gz IVWNZCGFZQWBFT-UHFFFAOYSA-N 0 0 202.666 2.055 10 0 BEAERN C[C@@H](COCc1ccccc1)NC(=O)C1CC1 ZINC000172969359 175762560 /nfs/dbraw/zinc/76/25/60/175762560.db2.gz YPXCYYSIARQZDK-NSHDSACASA-N 0 0 233.311 2.118 10 0 BEAERN C[C@@H](NC(=O)C(C)(C)C)c1ccccc1N ZINC000037177842 175824748 /nfs/dbraw/zinc/82/47/48/175824748.db2.gz HEZVIILRDNFSQB-SECBINFHSA-N 0 0 220.316 2.492 10 0 BEAERN C[C@@H](NC(=O)c1cccc(N)c1)c1ccco1 ZINC000035738317 175849770 /nfs/dbraw/zinc/84/97/70/175849770.db2.gz NNKKJLBTBBUZTB-SECBINFHSA-N 0 0 230.267 2.353 10 0 BEAERN C[C@@H](NC(=O)c1ccccc1O)c1ccco1 ZINC000035134879 175850654 /nfs/dbraw/zinc/85/06/54/175850654.db2.gz UNZGCBWPYSLFCS-SECBINFHSA-N 0 0 231.251 2.476 10 0 BEAERN C[C@@H](Nc1ccc2n[nH]cc2c1)c1cnn(C)c1 ZINC000044496846 175931784 /nfs/dbraw/zinc/93/17/84/175931784.db2.gz IRALCMKUAKFHHV-SECBINFHSA-N 0 0 241.298 2.470 10 0 BEAERN C[C@@H](O)c1ccc(-n2cccn2)c(F)c1 ZINC000035631797 175998460 /nfs/dbraw/zinc/99/84/60/175998460.db2.gz ORNJAZNBTXRTHF-MRVPVSSYSA-N 0 0 206.220 2.065 10 0 BEAERN C[C@@H](O)c1ccccc1NC(=O)c1ccc[nH]1 ZINC000049549740 176000213 /nfs/dbraw/zinc/00/02/13/176000213.db2.gz ONSUVABKOKUUKG-SECBINFHSA-N 0 0 230.267 2.320 10 0 BEAERN C[C@@H](SC[C@@H](O)CO)c1ccc(F)c(F)c1 ZINC000177407264 176007841 /nfs/dbraw/zinc/00/78/41/176007841.db2.gz AWURPRUECVORAH-APPZFPTMSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@H]1C[C@H]1C ZINC000176205975 176023361 /nfs/dbraw/zinc/02/33/61/176023361.db2.gz JDIFPQFDYHUTAK-REJLFOLJSA-N 0 0 247.338 2.066 10 0 BEAERN C[C@@H](c1ccccc1F)N(C)c1ncc(N)cn1 ZINC000062014103 176024664 /nfs/dbraw/zinc/02/46/64/176024664.db2.gz FHMGKUZYHMEOSD-VIFPVBQESA-N 0 0 246.289 2.395 10 0 BEAERN C[C@@H](c1cccnc1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000075980942 176028663 /nfs/dbraw/zinc/02/86/63/176028663.db2.gz OOQDXQHXSUXEOL-SCVCMEIPSA-N 0 0 233.315 2.192 10 0 BEAERN C[C@@H](c1ccco1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000082249714 176033176 /nfs/dbraw/zinc/03/31/76/176033176.db2.gz IKQFBOLXUTZYBN-UWVGGRQHSA-N 0 0 223.272 2.137 10 0 BEAERN C[C@@H](c1ccco1)n1ncc(Cl)c1N ZINC000043665472 176033356 /nfs/dbraw/zinc/03/33/56/176033356.db2.gz DVZLQQYIRKLOOY-LURJTMIESA-N 0 0 211.652 2.321 10 0 BEAERN C[C@@H]1C(=O)NCc2cc(Br)ccc21 ZINC000222938801 176047243 /nfs/dbraw/zinc/04/72/43/176047243.db2.gz JYQWNOYEAWZUDJ-LURJTMIESA-N 0 0 240.100 2.182 10 0 BEAERN C[C@@H]1CC(=O)[C@H](Sc2ccccc2)O1 ZINC000104846467 176050919 /nfs/dbraw/zinc/05/09/19/176050919.db2.gz IANCTICFMDICKN-KCJUWKMLSA-N 0 0 208.282 2.483 10 0 BEAERN C[C@@H]1CC(Nc2cccnc2)C[C@@H](C)O1 ZINC000096033705 176055566 /nfs/dbraw/zinc/05/55/66/176055566.db2.gz DVCULDZBWDXVCB-NXEZZACHSA-N 0 0 206.289 2.450 10 0 BEAERN C[C@@H]1CCCCN1C(=O)COc1ccccc1N ZINC000022146204 176066563 /nfs/dbraw/zinc/06/65/63/176066563.db2.gz XENJWWWBZYSPNK-LLVKDONJSA-N 0 0 248.326 2.049 10 0 BEAERN C[C@@H]1CCCC[C@@H]1Oc1ncc(N)cn1 ZINC000040456021 176082593 /nfs/dbraw/zinc/08/25/93/176082593.db2.gz GQFFPSFXQGQYNU-SCZZXKLOSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@@H]1CCCC[C@@]1(C(=O)[O-])[NH+]1CCCC1 ZINC000037359557 176083545 /nfs/dbraw/zinc/08/35/45/176083545.db2.gz SSXLQLCSHDGTOG-ZYHUDNBSSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCCC[C@H]1OC(=O)c1cc(N)c[nH]1 ZINC000041046731 176089401 /nfs/dbraw/zinc/08/94/01/176089401.db2.gz PYPDVSIUHMOSKF-LDYMZIIASA-N 0 0 222.288 2.332 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCc2ccncc21 ZINC000336559137 176125777 /nfs/dbraw/zinc/12/57/77/176125777.db2.gz YKGQMHIYLAIRBB-PWSUYJOCSA-N 0 0 230.311 2.407 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC1(CCO)CCCC1 ZINC000340747071 176125782 /nfs/dbraw/zinc/12/57/82/176125782.db2.gz ODDOOQAQZFCWEW-NEPJUHHUSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOC2(CCC2)C1 ZINC000336593286 176126054 /nfs/dbraw/zinc/12/60/54/176126054.db2.gz PERNUZAVXPQKEY-NEPJUHHUSA-N 0 0 237.343 2.204 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000336678335 176126201 /nfs/dbraw/zinc/12/62/01/176126201.db2.gz AMYIGNOKBRGJKJ-GRYCIOLGSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000300419291 176126719 /nfs/dbraw/zinc/12/67/19/176126719.db2.gz VIFCCCSWEDRCHU-VOAKCMCISA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000310333999 176127179 /nfs/dbraw/zinc/12/71/79/176127179.db2.gz ZNWIZJJYAQSEJH-NDBYEHHHSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1c1nc(-c2cncn2C)no1 ZINC000333212196 176133189 /nfs/dbraw/zinc/13/31/89/176133189.db2.gz PYQJCSZEBFDIFB-BDAKNGLRSA-N 0 0 232.287 2.374 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](CO)CC1 ZINC000356041530 176146883 /nfs/dbraw/zinc/14/68/83/176146883.db2.gz GNCHWFPXJMOVSU-FRRDWIJNSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H]1CCC[C@](CO)(Nc2nccs2)C1 ZINC000053111253 176152486 /nfs/dbraw/zinc/15/24/86/176152486.db2.gz INQZAEDSTSRNDI-KOLCDFICSA-N 0 0 226.345 2.496 10 0 BEAERN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(N)cc23)C1 ZINC000062832755 176162451 /nfs/dbraw/zinc/16/24/51/176162451.db2.gz VRUYJQZOFBNBBV-SECBINFHSA-N 0 0 243.310 2.232 10 0 BEAERN C[C@@H]1CCN(Cc2cc(Br)no2)C1 ZINC000276501027 176175008 /nfs/dbraw/zinc/17/50/08/176175008.db2.gz CDBPNUJMCKPXCA-SSDOTTSWSA-N 0 0 245.120 2.279 10 0 BEAERN C[C@@H]1CCSc2c(Cl)nc(N)nc21 ZINC000075625832 176194710 /nfs/dbraw/zinc/19/47/10/176194710.db2.gz GTZVYRKRWAHAFP-SCSAIBSYSA-N 0 0 215.709 2.312 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3CCCC[C@@H]3C2)O1 ZINC000119866398 176195407 /nfs/dbraw/zinc/19/54/07/176195407.db2.gz RYUXJFFXVAFKGU-NDBYEHHHSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@@H]1CCc2nc(Cl)c(CO)cc2C1 ZINC000049815072 176240307 /nfs/dbraw/zinc/24/03/07/176240307.db2.gz IQMMEQRGCHTALZ-SSDOTTSWSA-N 0 0 211.692 2.352 10 0 BEAERN C[C@@H]1CN(C[C@@H]2CCCC2(F)F)CCC1=O ZINC000334560976 176297818 /nfs/dbraw/zinc/29/78/18/176297818.db2.gz WDWPBRLZBLAQSS-ZJUUUORDSA-N 0 0 231.286 2.333 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1CCOc1ccccc1 ZINC000077367557 176347126 /nfs/dbraw/zinc/34/71/26/176347126.db2.gz LFKXBLJNVFLSHN-CHWSQXEVSA-N 0 0 235.327 2.175 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1cnc(Cl)s1 ZINC000079325415 176347457 /nfs/dbraw/zinc/34/74/57/176347457.db2.gz MKRCKVKKJIWZQH-HTQZYQBOSA-N 0 0 246.763 2.406 10 0 BEAERN C[C@@H]1C[C@@H](CO)CCN1C(=O)OC(C)(C)C ZINC000141980185 176370329 /nfs/dbraw/zinc/37/03/29/176370329.db2.gz LXOVPEAYTWFSBI-ZJUUUORDSA-N 0 0 229.320 2.014 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1ncncc1Br ZINC000133018345 176398587 /nfs/dbraw/zinc/39/85/87/176398587.db2.gz DLESEBLUOCDECE-RNFRBKRXSA-N 0 0 242.120 2.307 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000171066602 176399171 /nfs/dbraw/zinc/39/91/71/176399171.db2.gz CSKPYJWEDVDHEM-KCJUWKMLSA-N 0 0 239.702 2.243 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CCC(=O)c1ccccc1 ZINC000075526911 176399207 /nfs/dbraw/zinc/39/92/07/176399207.db2.gz GTBXHOQZMZDMJI-PWSUYJOCSA-N 0 0 231.295 2.174 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc2c1CCO2 ZINC000333117317 176401724 /nfs/dbraw/zinc/40/17/24/176401724.db2.gz GQDFCUYBNQDYGI-KCJUWKMLSA-N 0 0 232.283 2.151 10 0 BEAERN C[C@@H]1C[C@H](C(=O)N(C)C)c2ccccc2N1 ZINC000019424959 176409422 /nfs/dbraw/zinc/40/94/22/176409422.db2.gz SUVQDNAMVHVFHK-KOLCDFICSA-N 0 0 218.300 2.063 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000190607279 176463618 /nfs/dbraw/zinc/46/36/18/176463618.db2.gz CJVQMZMXDYCBJW-JQWIXIFHSA-N 0 0 237.299 2.053 10 0 BEAERN C[C@@]([NH3+])(CCCCc1ccccc1)C(=O)[O-] ZINC000255963486 176511969 /nfs/dbraw/zinc/51/19/69/176511969.db2.gz AWXDWVNQXTZCFU-CYBMUJFWSA-N 0 0 221.300 2.201 10 0 BEAERN C[C@@]1(CO)CCC[C@H]1Nc1ncc(Cl)cn1 ZINC000301481853 176535038 /nfs/dbraw/zinc/53/50/38/176535038.db2.gz FDALHMFMFDKYCR-KOLCDFICSA-N 0 0 241.722 2.093 10 0 BEAERN C[C@H](C(=O)N1CCCC[C@@H](CO)C1)C(C)(C)C ZINC000370674081 176562266 /nfs/dbraw/zinc/56/22/66/176562266.db2.gz SAUPUPFCJUHAFH-VXGBXAGGSA-N 0 0 241.375 2.290 10 0 BEAERN C[C@H](CO)[C@H](C)NC(=O)CCCc1ccccc1 ZINC000133655473 176711456 /nfs/dbraw/zinc/71/14/56/176711456.db2.gz OEYPEUDOVKKBCN-OLZOCXBDSA-N 0 0 249.354 2.142 10 0 BEAERN C[C@H](O)[C@@H](N)c1nc2cccc(Cl)c2s1 ZINC000037206050 177006478 /nfs/dbraw/zinc/00/64/78/177006478.db2.gz HTZZQIXFVTXFES-YLWLKBPMSA-N 0 0 242.731 2.330 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ncc(Cl)cc1F ZINC000307664657 177012403 /nfs/dbraw/zinc/01/24/03/177012403.db2.gz KTIDQYIXEURWDZ-WDSKDSINSA-N 0 0 218.659 2.055 10 0 BEAERN C[C@H](O)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000104061517 177012924 /nfs/dbraw/zinc/01/29/24/177012924.db2.gz OKOZCGHXZPMBJW-UWVGGRQHSA-N 0 0 232.283 2.145 10 0 BEAERN C[C@H](O)c1ccccc1O[C@H]1CCCC[C@H]1O ZINC000109557633 177017774 /nfs/dbraw/zinc/01/77/74/177017774.db2.gz JWNWMCQNVLYHMK-SUHUHFCYSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1ccccc1NCc1cc[nH]n1 ZINC000049542871 177018057 /nfs/dbraw/zinc/01/80/57/177018057.db2.gz OLDGGMPEDWYNDV-VIFPVBQESA-N 0 0 217.272 2.075 10 0 BEAERN C[C@H](O)c1ccccc1NC(=O)c1ccc[nH]1 ZINC000049549737 177018193 /nfs/dbraw/zinc/01/81/93/177018193.db2.gz ONSUVABKOKUUKG-VIFPVBQESA-N 0 0 230.267 2.320 10 0 BEAERN C[C@H](OC[C@@H]1CCOC1)c1cccc(N)c1 ZINC000049688914 177020905 /nfs/dbraw/zinc/02/09/05/177020905.db2.gz DFDSOWMNDPUKSP-WDEREUQCSA-N 0 0 221.300 2.383 10 0 BEAERN C[C@H](Sc1nc[nH]n1)c1ccc(N)cc1 ZINC000040909252 177030141 /nfs/dbraw/zinc/03/01/41/177030141.db2.gz HIVUQKDXUGZRTI-ZETCQYMHSA-N 0 0 220.301 2.240 10 0 BEAERN C[C@H](Sc1nnc(CO)n1C)c1ccccc1 ZINC000119394210 177031202 /nfs/dbraw/zinc/03/12/02/177031202.db2.gz FNVWCNCEPUGPTG-VIFPVBQESA-N 0 0 249.339 2.161 10 0 BEAERN C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003744977 177034510 /nfs/dbraw/zinc/03/45/10/177034510.db2.gz QOYDHTDFPCHZHF-BXKDBHETSA-N 0 0 237.274 2.436 10 0 BEAERN C[C@H]1CCCC[C@@H]1OCCn1cc(N)cn1 ZINC000050615111 177084075 /nfs/dbraw/zinc/08/40/75/177084075.db2.gz GDTRYUIQHXLPRV-JQWIXIFHSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@H]1CCCC[C@H]1CNC(=O)c1cc(N)c[nH]1 ZINC000042828511 177086122 /nfs/dbraw/zinc/08/61/22/177086122.db2.gz JJVDCFJSRZNTBT-UWVGGRQHSA-N 0 0 235.331 2.153 10 0 BEAERN C[C@H]1CCCC[C@H]1Oc1ncc(N)cn1 ZINC000040456025 177090285 /nfs/dbraw/zinc/09/02/85/177090285.db2.gz GQFFPSFXQGQYNU-WCBMZHEXSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cc(N)ccc1F ZINC000037909648 177108265 /nfs/dbraw/zinc/10/82/65/177108265.db2.gz FMOHVOHRKZRLHN-QMMMGPOBSA-N 0 0 222.263 2.032 10 0 BEAERN C[C@H]1CCCN1C(=O)c1cc2cccc(N)c2[nH]1 ZINC000062833773 177108463 /nfs/dbraw/zinc/10/84/63/177108463.db2.gz SWRORCCWLUTGIS-VIFPVBQESA-N 0 0 243.310 2.375 10 0 BEAERN C[C@@H](C(=O)Nc1ccccc1N)[N@@H+]1CCC[C@@H]1C ZINC000037909918 177111883 /nfs/dbraw/zinc/11/18/83/177111883.db2.gz LHMKHXVRXNICKL-QWRGUYRKSA-N 0 0 247.342 2.080 10 0 BEAERN C[C@H]1CCC[C@@H](Oc2ccc(N)c(C(N)=O)c2)C1 ZINC000041670301 177123665 /nfs/dbraw/zinc/12/36/65/177123665.db2.gz FKPMJIZLNCJCEP-VHSXEESVSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@H]1CCC[C@H](C)N1C(=O)CCc1ccnn1C ZINC000123924063 177130055 /nfs/dbraw/zinc/13/00/55/177130055.db2.gz CQRVXKFLDUSKKY-RYUDHWBXSA-N 0 0 249.358 2.142 10 0 BEAERN C[C@H]1CCC[C@H](CCNC(=O)N(C)C)C1 ZINC000115487851 177132597 /nfs/dbraw/zinc/13/25/97/177132597.db2.gz VJCKXLVUVIQCJK-WDEREUQCSA-N 0 0 212.337 2.474 10 0 BEAERN C[C@H]1CCC[C@H](Nc2ncccc2C(N)=O)C1 ZINC000025571735 177137946 /nfs/dbraw/zinc/13/79/46/177137946.db2.gz GIWIOLFDQCHVSR-UWVGGRQHSA-N 0 0 233.315 2.171 10 0 BEAERN C[C@H]1CCC[C@H](c2nc(-c3ncon3)no2)C1 ZINC000329632662 177139047 /nfs/dbraw/zinc/13/90/47/177139047.db2.gz WVMVBWXOGBPGBB-YUMQZZPRSA-N 0 0 234.259 2.413 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NC1(CCO)CCCC1 ZINC000340747075 177139137 /nfs/dbraw/zinc/13/91/37/177139137.db2.gz ODDOOQAQZFCWEW-NWDGAFQWSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@H]1CCN(C(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040716611 177153956 /nfs/dbraw/zinc/15/39/56/177153956.db2.gz DIYKTLVTSBIHDX-QMMMGPOBSA-N 0 0 238.718 2.404 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N(C)c2ccccc2)O1 ZINC000121710424 177180807 /nfs/dbraw/zinc/18/08/07/177180807.db2.gz LZIAFDGVNHBCOI-JQWIXIFHSA-N 0 0 219.284 2.217 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCC2(C3CC3)CCC2)O1 ZINC000119866409 177181519 /nfs/dbraw/zinc/18/15/19/177181519.db2.gz LTWMPQZHNKFKJM-JQWIXIFHSA-N 0 0 237.343 2.250 10 0 BEAERN C[C@H]1CC[C@@H](Nc2nccnc2N(C)C)C1 ZINC000302494096 177194030 /nfs/dbraw/zinc/19/40/30/177194030.db2.gz AVWIUZNWRIOCCY-VHSXEESVSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)Cc2ccccc2)O1 ZINC000121665049 177196623 /nfs/dbraw/zinc/19/66/23/177196623.db2.gz LQWNGDOAGQQLSW-WCQYABFASA-N 0 0 233.311 2.213 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2nc3ccccc3[nH]2)O1 ZINC000124877747 177197235 /nfs/dbraw/zinc/19/72/35/177197235.db2.gz NIFKPGVIIBISER-GZMMTYOYSA-N 0 0 245.282 2.069 10 0 BEAERN C[C@H]1CC[C@H](NS(C)(=O)=O)c2ccccc21 ZINC000162307008 177205089 /nfs/dbraw/zinc/20/50/89/177205089.db2.gz ZZAAWGHIJSQRMN-CABZTGNLSA-N 0 0 239.340 2.174 10 0 BEAERN C[C@H]1CC[C@H](Nc2nccnc2N(C)C)C1 ZINC000302494095 177205332 /nfs/dbraw/zinc/20/53/32/177205332.db2.gz AVWIUZNWRIOCCY-UWVGGRQHSA-N 0 0 220.320 2.143 10 0 BEAERN C[C@H]1CN(C(=O)C2=CCCC2)CCS1 ZINC000336408527 177212991 /nfs/dbraw/zinc/21/29/91/177212991.db2.gz MCJYJZUEDRPUQU-VIFPVBQESA-N 0 0 211.330 2.061 10 0 BEAERN C[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000163501294 177221814 /nfs/dbraw/zinc/22/18/14/177221814.db2.gz HYQWJZCJTRSBOT-AVGNSLFASA-N 0 0 247.338 2.426 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2N)C[C@H](C)O1 ZINC000019868068 177276933 /nfs/dbraw/zinc/27/69/33/177276933.db2.gz ZNBCYQVFUUFJCK-DTORHVGOSA-N 0 0 224.279 2.022 10 0 BEAERN C[C@H]1CN(c2ccc(F)cc2N)C[C@H](C)O1 ZINC000019868076 177277480 /nfs/dbraw/zinc/27/74/80/177277480.db2.gz ZNBCYQVFUUFJCK-IUCAKERBSA-N 0 0 224.279 2.022 10 0 BEAERN C[C@@H]1COC[C@H](C)N1CCC(=O)c1ccccc1 ZINC000182341359 177297836 /nfs/dbraw/zinc/29/78/36/177297836.db2.gz BXJSYKGJNPNVJM-BETUJISGSA-N 0 0 247.338 2.369 10 0 BEAERN C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)c1ccccc1 ZINC000182815155 177298074 /nfs/dbraw/zinc/29/80/74/177298074.db2.gz VPXJEOJGSZOXOC-FRRDWIJNSA-N 0 0 247.338 2.426 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N2C[C@H](C)C[C@H](C)C2)O1 ZINC000121834877 177311334 /nfs/dbraw/zinc/31/13/34/177311334.db2.gz FGFYQINCYFCILX-USZNOCQGSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)O1 ZINC000121834566 177311881 /nfs/dbraw/zinc/31/18/81/177311881.db2.gz FGFYQINCYFCILX-WHOHXGKFSA-N 0 0 225.332 2.058 10 0 BEAERN C[C@@H]1C[C@H](C)C[N@@H+](CC(C)(C)C(=O)[O-])C1 ZINC000011799626 177313615 /nfs/dbraw/zinc/31/36/15/177313615.db2.gz CFXWINRBZFFKPH-AOOOYVTPSA-N 0 0 213.321 2.075 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)CCc1ccc(F)cc1F ZINC000123377502 177346459 /nfs/dbraw/zinc/34/64/59/177346459.db2.gz BKZIGRIZPMLNGT-UFBFGSQYSA-N 0 0 239.265 2.422 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000052299104 177346591 /nfs/dbraw/zinc/34/65/91/177346591.db2.gz OJOQLMIOZWXTFG-ZANVPECISA-N 0 0 228.295 2.235 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccccc1Cl ZINC000075526949 177346968 /nfs/dbraw/zinc/34/69/68/177346968.db2.gz OORWKJZMOOCKNU-KWQFWETISA-N 0 0 223.703 2.407 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1cccnc1Cl ZINC000170793332 177347837 /nfs/dbraw/zinc/34/78/37/177347837.db2.gz YBHROWGFBNZQBP-XPUUQOCRSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000075518988 177347916 /nfs/dbraw/zinc/34/79/16/177347916.db2.gz VFVDRXZPBKCWTL-CPCISQLKSA-N 0 0 232.258 2.445 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccnn1C(C)(C)C ZINC000190574683 177348001 /nfs/dbraw/zinc/34/80/01/177348001.db2.gz MPQOUVZTTGZPRV-IUCAKERBSA-N 0 0 236.319 2.168 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000195240188 177348195 /nfs/dbraw/zinc/34/81/95/177348195.db2.gz PSNPPYQYHITDAD-ZBPZKIAKSA-N 0 0 248.301 2.389 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000171062479 177349287 /nfs/dbraw/zinc/34/92/87/177349287.db2.gz DLUTVCKZDNAPFL-CBAPKCEASA-N 0 0 221.325 2.375 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1nccc2ccccc21 ZINC000072094705 177349682 /nfs/dbraw/zinc/34/96/82/177349682.db2.gz RPBZWBGKWKUVRT-CABZTGNLSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@H]1C[C@H](C)C[NH+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182875 177358730 /nfs/dbraw/zinc/35/87/30/177358730.db2.gz SKRRLCRUOIEQSA-QWRGUYRKSA-N 0 0 248.326 2.258 10 0 BEAERN C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000280931736 177363110 /nfs/dbraw/zinc/36/31/10/177363110.db2.gz DXGGQYBLTRSNFY-YVECIDJPSA-N 0 0 249.358 2.331 10 0 BEAERN C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CC(=O)[O-] ZINC000363259647 177375635 /nfs/dbraw/zinc/37/56/35/177375635.db2.gz PSIFWVVGJXWGNP-WPRPVWTQSA-N 0 0 225.313 2.011 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1nc2ccc(N)cc2s1 ZINC000019257071 177377196 /nfs/dbraw/zinc/37/71/96/177377196.db2.gz LZHIWWGLZYCJTB-POYBYMJQSA-N 0 0 247.323 2.473 10 0 BEAERN C[C@H]1C[C@H]1C[N@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000104414014 177379381 /nfs/dbraw/zinc/37/93/81/177379381.db2.gz FEDGUVHBSDDSSN-IUCAKERBSA-N 0 0 234.299 2.059 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C(F)(F)c1ccccc1 ZINC000075513130 177382609 /nfs/dbraw/zinc/38/26/09/177382609.db2.gz XTPKCZZSJNWSOZ-WCBMZHEXSA-N 0 0 225.238 2.303 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000171046055 177383037 /nfs/dbraw/zinc/38/30/37/177383037.db2.gz LPYHESMYWWUAOB-OIBJUYFYSA-N 0 0 237.686 2.047 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)COc1ccccc1Cl ZINC000075528916 177383172 /nfs/dbraw/zinc/38/31/72/177383172.db2.gz RIAFQAMFCWCXJL-WCBMZHEXSA-N 0 0 239.702 2.243 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1cc(F)ccc1F ZINC000079961475 177383342 /nfs/dbraw/zinc/38/33/42/177383342.db2.gz GFWILVPMCAIPIR-WRWORJQWSA-N 0 0 225.238 2.032 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)nc1 ZINC000075958589 177384368 /nfs/dbraw/zinc/38/43/68/177384368.db2.gz BRSLXJKIEMZWHS-POYBYMJQSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)cc1N ZINC000052268187 177384943 /nfs/dbraw/zinc/38/49/43/177384943.db2.gz LFMZPZFVADHOKJ-QUBYGPBYSA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000186526182 177385032 /nfs/dbraw/zinc/38/50/32/177385032.db2.gz LPDHDNOPSOASLQ-OIBJUYFYSA-N 0 0 247.323 2.276 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1nc2ccccc2s1 ZINC000119138251 177385465 /nfs/dbraw/zinc/38/54/65/177385465.db2.gz XGPVJDIHKHBXEM-IONNQARKSA-N 0 0 232.308 2.435 10 0 BEAERN C[C@H]1C[C@H]1Nc1cc(NCC2CC2)ncn1 ZINC000301830063 177386321 /nfs/dbraw/zinc/38/63/21/177386321.db2.gz PMDLKCHAKLXUHK-WCBMZHEXSA-N 0 0 218.304 2.119 10 0 BEAERN C[C@H]1Cc2c(cc(Br)cc2O)O1 ZINC000051971819 177388446 /nfs/dbraw/zinc/38/84/46/177388446.db2.gz WPKCUORKKDOBCK-YFKPBYRVSA-N 0 0 229.073 2.478 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)Oc1ccccc1 ZINC000191351472 177397489 /nfs/dbraw/zinc/39/74/89/177397489.db2.gz FQGURQXQQYQPIT-PWSUYJOCSA-N 0 0 220.268 2.407 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1O ZINC000189219965 177397594 /nfs/dbraw/zinc/39/75/94/177397594.db2.gz KDUYNUQZWRFSDC-ZJUUUORDSA-N 0 0 235.283 2.146 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000190276613 177397662 /nfs/dbraw/zinc/39/76/62/177397662.db2.gz PBIFINRIVARDEN-SKDRFNHKSA-N 0 0 235.283 2.146 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1nc2ccccc2o1 ZINC000134571524 177403439 /nfs/dbraw/zinc/40/34/39/177403439.db2.gz WAYSCHFRMYMKPB-BDAKNGLRSA-N 0 0 218.256 2.417 10 0 BEAERN C[C@](CCc1ccccc1)([NH2+]C1CC1)C(=O)[O-] ZINC000037183472 177441997 /nfs/dbraw/zinc/44/19/97/177441997.db2.gz HOSPUXISZAAJKN-CQSZACIVSA-N 0 0 233.311 2.215 10 0 BEAERN C[C@]([NH2+]CC1CC1)(C(=O)[O-])c1ccccc1F ZINC000037967327 177445650 /nfs/dbraw/zinc/44/56/50/177445650.db2.gz LEULTASSMVBJDG-CYBMUJFWSA-N 0 0 237.274 2.125 10 0 BEAERN Cc1c(/C=C/c2ccc(N)cc2)cnn1C ZINC000075622897 177554458 /nfs/dbraw/zinc/55/44/58/177554458.db2.gz YAAKBBQQODOMGM-ZZXKWVIFSA-N 0 0 213.284 2.481 10 0 BEAERN Cc1c2c(c(N)c(N)c1C)CC(C)(C)O2 ZINC000013652070 177577187 /nfs/dbraw/zinc/57/71/87/177577187.db2.gz GDVAPUIOQMHZIC-UHFFFAOYSA-N 0 0 206.289 2.181 10 0 BEAERN Cc1c(F)cccc1NC(=O)c1cc(N)ccn1 ZINC000050706738 177608723 /nfs/dbraw/zinc/60/87/23/177608723.db2.gz PVZAJRVZTXUCKB-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1c(N)cccc1CS(=O)(=O)CC(C)C ZINC000035649086 177611759 /nfs/dbraw/zinc/61/17/59/177611759.db2.gz SHDPVLBWPUSQMG-UHFFFAOYSA-N 0 0 241.356 2.148 10 0 BEAERN Cc1c(N)cccc1NC1CCC(O)CC1 ZINC000062724087 177613329 /nfs/dbraw/zinc/61/33/29/177613329.db2.gz IPPPRDMBELTYRQ-UHFFFAOYSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1c(N)cccc1C[S@@](=O)CC(C)C ZINC000040970144 177613907 /nfs/dbraw/zinc/61/39/07/177613907.db2.gz NLYPWOVRVLFAKR-OAHLLOKOSA-N 0 0 225.357 2.482 10 0 BEAERN CO[C@H](CN[C@@H](C)c1ncc(C)o1)C1CC1 ZINC000400257921 226338507 /nfs/dbraw/zinc/33/85/07/226338507.db2.gz RNTKLXCYLGZUOQ-GXSJLCMTSA-N 0 0 224.304 2.059 10 0 BEAERN O=C([O-])[C@@H]1C[C@H](C/C=C/c2ccccc2)C[NH2+]1 ZINC000504430030 226344746 /nfs/dbraw/zinc/34/47/46/226344746.db2.gz QDAXBFHPUNCEDK-YUZRODSESA-N 0 0 231.295 2.153 10 0 BEAERN CCC1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000674917231 487654700 /nfs/dbraw/zinc/65/47/00/487654700.db2.gz DHUKWYJLQWSQMV-NWDGAFQWSA-N 0 0 239.359 2.377 10 0 BEAERN CCOC(=O)C[C@H](C)C(=O)c1ccc(N)cc1 ZINC000034725939 487671531 /nfs/dbraw/zinc/67/15/31/487671531.db2.gz UXNFVYDIESWZQG-VIFPVBQESA-N 0 0 235.283 2.041 10 0 BEAERN CC(C)C[C@@H](N)c1nc(C2CCOCC2)no1 ZINC000087810520 487689369 /nfs/dbraw/zinc/68/93/69/487689369.db2.gz MFSFOCZNMHBHDM-SNVBAGLBSA-N 0 0 239.319 2.010 10 0 BEAERN CCC[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398772379 262769521 /nfs/dbraw/zinc/76/95/21/262769521.db2.gz LAEDVRGKZKKXNP-ZDEQEGDKSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1c1ncnc2ccsc21 ZINC000399320367 262782120 /nfs/dbraw/zinc/78/21/20/262782120.db2.gz IAXMFAAGLFWWOY-DTWKUNHWSA-N 0 0 249.339 2.041 10 0 BEAERN O=C(Nc1cn[nH]c1)c1cccc2ncccc21 ZINC000035237872 262840844 /nfs/dbraw/zinc/84/08/44/262840844.db2.gz TZUPUVCRJMBLHS-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN CCc1nc(CNC(=O)OC(C)C)cs1 ZINC000328121063 262909926 /nfs/dbraw/zinc/90/99/26/262909926.db2.gz LGICBDLRFAURQF-UHFFFAOYSA-N 0 0 228.317 2.340 10 0 BEAERN CN(C)c1ncccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250346372 487730201 /nfs/dbraw/zinc/73/02/01/487730201.db2.gz GRORVVDQBIWUNF-JGPRNRPPSA-N 0 0 245.326 2.132 10 0 BEAERN CCCCCN[C@@H](C(=O)OC)C(C)(C)C ZINC000119123168 487733366 /nfs/dbraw/zinc/73/33/66/487733366.db2.gz NUOHBXCOVWPBLC-JTQLQIEISA-N 0 0 215.337 2.354 10 0 BEAERN O=C(N[C@H]1CC=CCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250665313 487738425 /nfs/dbraw/zinc/73/84/25/487738425.db2.gz ROPLTBQPXMNHRS-USZNOCQGSA-N 0 0 205.301 2.257 10 0 BEAERN Cc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)ccn1 ZINC000250870732 487743421 /nfs/dbraw/zinc/74/34/21/487743421.db2.gz BYIMAZUOKLIMHJ-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN Cc1cccc(C)c1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000675552946 487747740 /nfs/dbraw/zinc/74/77/40/487747740.db2.gz MYUHVLIAGZTLBF-STQMWFEESA-N 0 0 247.338 2.337 10 0 BEAERN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251535523 487766519 /nfs/dbraw/zinc/76/65/19/487766519.db2.gz KNNLQRYVAOHVQQ-IXLVHKGHSA-N 0 0 207.317 2.289 10 0 BEAERN CC(C)c1nn(C)cc1N[C@@H](C)c1nccn1C ZINC000302197379 487775298 /nfs/dbraw/zinc/77/52/98/487775298.db2.gz SRRKOBOVKCGICS-JTQLQIEISA-N 0 0 247.346 2.450 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251720872 487792785 /nfs/dbraw/zinc/79/27/85/487792785.db2.gz JYHYYZGDWURYMS-IEECTRCBSA-N 0 0 237.343 2.058 10 0 BEAERN C[C@@H](C(=O)[O-])[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000252591797 487827489 /nfs/dbraw/zinc/82/74/89/487827489.db2.gz DTDDIRNFSYCQIJ-RSLMWUCJSA-N 0 0 233.311 2.241 10 0 BEAERN Cc1ccnc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000666526707 487828305 /nfs/dbraw/zinc/82/83/05/487828305.db2.gz YQNJDDKELXZWMD-JGPRNRPPSA-N 0 0 216.284 2.375 10 0 BEAERN CC[C@@H](C)[N@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000304175014 487844469 /nfs/dbraw/zinc/84/44/69/487844469.db2.gz MYDWIZIJYGIPLT-SNVBAGLBSA-N 0 0 236.315 2.400 10 0 BEAERN CCN(C[C@H]1CCCO1)C(=O)OC(C)C ZINC000127068478 322960517 /nfs/dbraw/zinc/96/05/17/322960517.db2.gz URGVXHFIOUDBBR-SNVBAGLBSA-N 0 0 215.293 2.032 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(CO)cc1 ZINC000227481359 487939866 /nfs/dbraw/zinc/93/98/66/487939866.db2.gz FFOBYKFZMVPOCF-BXUZGUMPSA-N 0 0 247.338 2.231 10 0 BEAERN COc1cc(C)c(C(=O)N[C@@H]2C[C@@H]2C)cc1OC ZINC000151220292 323013754 /nfs/dbraw/zinc/01/37/54/323013754.db2.gz WUOUPUUIKMZZEV-GXSJLCMTSA-N 0 0 249.310 2.150 10 0 BEAERN C[C@@H]1C[C@H](NCC(F)(F)F)C[C@H](C)O1 ZINC000562518090 323022715 /nfs/dbraw/zinc/02/27/15/323022715.db2.gz MLMAVPNBUXJNDV-JIGDXULJSA-N 0 0 211.227 2.094 10 0 BEAERN CSCCC(=O)N(C)[C@H](C)CCSC ZINC000134365904 323023676 /nfs/dbraw/zinc/02/36/76/323023676.db2.gz APQKDTZITAFABV-SECBINFHSA-N 0 0 235.418 2.340 10 0 BEAERN NC(=O)c1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000302670246 323028620 /nfs/dbraw/zinc/02/86/20/323028620.db2.gz LICJTPWBSYFWFK-ZWKOPEQDSA-N 0 0 230.311 2.386 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccsc2)O1 ZINC000155273647 323061061 /nfs/dbraw/zinc/06/10/61/323061061.db2.gz YAPYSMUFIOPRDF-CBAPKCEASA-N 0 0 211.286 2.254 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)C(C)C)c1O ZINC000020304733 323084740 /nfs/dbraw/zinc/08/47/40/323084740.db2.gz QVKLDKRVNZQYNP-JTQLQIEISA-N 0 0 221.300 2.475 10 0 BEAERN COc1cc(OC)cc([C@H]2CCC[C@H]2O)c1 ZINC000087124274 323089288 /nfs/dbraw/zinc/08/92/88/323089288.db2.gz IJCLFNYNISHGJX-CHWSQXEVSA-N 0 0 222.284 2.332 10 0 BEAERN CCN(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000101774073 323162782 /nfs/dbraw/zinc/16/27/82/323162782.db2.gz OLKFIHQBRPKXFQ-UHFFFAOYSA-N 0 0 236.359 2.472 10 0 BEAERN C[C@@H](NC(=O)NCc1ccncc1)C(C)(C)C ZINC000112429721 323170262 /nfs/dbraw/zinc/17/02/62/323170262.db2.gz BOOPMEQLRPFVKH-SNVBAGLBSA-N 0 0 235.331 2.315 10 0 BEAERN Cc1nnc(C[NH2+]C(C2CC2)C2CC2)s1 ZINC000134721843 323177605 /nfs/dbraw/zinc/17/76/05/323177605.db2.gz WLEDOYLMHOIGGI-UHFFFAOYSA-N 0 0 223.345 2.125 10 0 BEAERN CC1CC(C(=O)N2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000563867797 323181793 /nfs/dbraw/zinc/18/17/93/323181793.db2.gz HPJDFUKOKUQRFB-HTAVTVPLSA-N 0 0 239.359 2.042 10 0 BEAERN CCCCCC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398763459 323192014 /nfs/dbraw/zinc/19/20/14/323192014.db2.gz IKNGDKFONXGHIQ-YNEHKIRRSA-N 0 0 239.359 2.186 10 0 BEAERN CC[C@H]1CN(C(=O)OC(C)C)C[C@H](CC)O1 ZINC000398765250 323192241 /nfs/dbraw/zinc/19/22/41/323192241.db2.gz GIUQENUZUAKZDE-QWRGUYRKSA-N 0 0 229.320 2.421 10 0 BEAERN Cn1cnnc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114495526 323194486 /nfs/dbraw/zinc/19/44/86/323194486.db2.gz CSHAYFFQYWXIOU-AWEZNQCLSA-N 0 0 246.358 2.137 10 0 BEAERN CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399239109 323201333 /nfs/dbraw/zinc/20/13/33/323201333.db2.gz IFPCALCWEQQIAW-UMSGYPCISA-N 0 0 239.359 2.040 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)s1 ZINC000399295502 323203182 /nfs/dbraw/zinc/20/31/82/323203182.db2.gz NPXDUAZQQAMJFQ-WPRPVWTQSA-N 0 0 239.340 2.042 10 0 BEAERN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000035018978 323395018 /nfs/dbraw/zinc/39/50/18/323395018.db2.gz CRTXAEMASVASRI-MNOVXSKESA-N 0 0 238.331 2.153 10 0 BEAERN Cc1nn(C)c(C)c1C(=O)NCCC1CCCC1 ZINC000044705983 323826743 /nfs/dbraw/zinc/82/67/43/323826743.db2.gz DUMZFPKEJGTTPX-UHFFFAOYSA-N 0 0 249.358 2.347 10 0 BEAERN CCN(C(=O)CSC)C1CCCC1 ZINC000045487174 323843525 /nfs/dbraw/zinc/84/35/25/323843525.db2.gz FMLHFDCKDHSOCR-UHFFFAOYSA-N 0 0 201.335 2.141 10 0 BEAERN Clc1[nH]ncc2cccc3nnc1-c32 ZINC000536960227 323973417 /nfs/dbraw/zinc/97/34/17/323973417.db2.gz WZCHJZMLOWNEFX-UHFFFAOYSA-N 0 0 204.620 2.160 10 0 BEAERN CC[C@H](C)NC(=O)NCCc1ccsc1 ZINC000060894053 324051278 /nfs/dbraw/zinc/05/12/78/324051278.db2.gz FUXFJCAAHGYSBC-VIFPVBQESA-N 0 0 226.345 2.388 10 0 BEAERN CCOC(=O)[C@@H](C)C/C(C)=C/[C@H](C)CO ZINC000504817777 324168242 /nfs/dbraw/zinc/16/82/42/324168242.db2.gz VKTCCHBXOJSMGA-PRZVWEGYSA-N 0 0 214.305 2.150 10 0 BEAERN Cc1cc(-c2cnc(C3CC3)o2)cnc1N ZINC000530250208 324559357 /nfs/dbraw/zinc/55/93/57/324559357.db2.gz JAUAWHIPXQWSOZ-UHFFFAOYSA-N 0 0 215.256 2.335 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCCCO2)C1 ZINC000125340045 324638965 /nfs/dbraw/zinc/63/89/65/324638965.db2.gz WUKPKNJOSKASBI-WOPDTQHZSA-N 0 0 225.332 2.203 10 0 BEAERN CCCCCC(=O)NCc1cccc(OC)n1 ZINC000128317923 324825666 /nfs/dbraw/zinc/82/56/66/324825666.db2.gz OIEPQRXJZJYAGY-UHFFFAOYSA-N 0 0 236.315 2.287 10 0 BEAERN O=C(Cc1ccoc1)N1CCOc2ccccc21 ZINC000128532989 324850487 /nfs/dbraw/zinc/85/04/87/324850487.db2.gz QJBYTORGIZDJSP-UHFFFAOYSA-N 0 0 243.262 2.248 10 0 BEAERN CCc1cccc(CC(=O)NC(C)C)c1 ZINC000129510201 324956446 /nfs/dbraw/zinc/95/64/46/324956446.db2.gz NLWDNFHVJKUFNY-UHFFFAOYSA-N 0 0 205.301 2.316 10 0 BEAERN CCCCNC(=O)N1CC[C@@H](C(C)C)C1 ZINC000130003818 325003028 /nfs/dbraw/zinc/00/30/28/325003028.db2.gz IWHNVOUQJNOPGX-LLVKDONJSA-N 0 0 212.337 2.474 10 0 BEAERN CC(C)N(C(=O)[C@H](C)C1CCOCC1)C1CC1 ZINC000130113684 325014901 /nfs/dbraw/zinc/01/49/01/325014901.db2.gz CJFFZYDHPWJALV-LLVKDONJSA-N 0 0 239.359 2.449 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NCc1ccccn1 ZINC000130168509 325020179 /nfs/dbraw/zinc/02/01/79/325020179.db2.gz OHIIDODCKDTMHE-UHFFFAOYSA-N 0 0 248.326 2.093 10 0 BEAERN CC[C@H](NC(=O)c1cccn1C)c1nccs1 ZINC000130740471 325083174 /nfs/dbraw/zinc/08/31/74/325083174.db2.gz FHLIKPFAQQRHFW-VIFPVBQESA-N 0 0 249.339 2.363 10 0 BEAERN CCCCNC(=O)[C@@H](C)SC1CCOCC1 ZINC000131057160 325111804 /nfs/dbraw/zinc/11/18/04/325111804.db2.gz ZRDBZKGNRWBJJM-SNVBAGLBSA-N 0 0 245.388 2.203 10 0 BEAERN CC[C@@H](C)OCC(=O)NCCC1=CCCC1 ZINC000131214970 325126107 /nfs/dbraw/zinc/12/61/07/325126107.db2.gz JWZDVSLGYWOOHD-LLVKDONJSA-N 0 0 225.332 2.418 10 0 BEAERN C[C@@H](NC(=O)CC1(C)CCCCC1)[C@H](C)CO ZINC000132260322 325208325 /nfs/dbraw/zinc/20/83/25/325208325.db2.gz DEDRLOXIEJLZQA-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@H](CO)[C@H](C)NC(=O)CC1(C)CCCCC1 ZINC000132260672 325208335 /nfs/dbraw/zinc/20/83/35/325208335.db2.gz DEDRLOXIEJLZQA-NEPJUHHUSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@H]1COC[C@H](C)N1C(=O)C1C(C)(C)C1(C)C ZINC000073923077 325217081 /nfs/dbraw/zinc/21/70/81/325217081.db2.gz QNFWJLGBBGQDAS-UWVGGRQHSA-N 0 0 239.359 2.304 10 0 BEAERN CCc1noc(C)c1NC(=O)CO[C@H](C)CC ZINC000132826003 325247601 /nfs/dbraw/zinc/24/76/01/325247601.db2.gz WKDFRCVTVZLZEM-MRVPVSSYSA-N 0 0 240.303 2.299 10 0 BEAERN CCOCCCC(=O)Nc1c(C)onc1CC ZINC000133267171 325280428 /nfs/dbraw/zinc/28/04/28/325280428.db2.gz NSHBBCTZCWKROV-UHFFFAOYSA-N 0 0 240.303 2.301 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)Cn1cccn1 ZINC000133464988 325295614 /nfs/dbraw/zinc/29/56/14/325295614.db2.gz MGUJNGMKNCTWNP-GFCCVEGCSA-N 0 0 249.358 2.310 10 0 BEAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000133890846 325327076 /nfs/dbraw/zinc/32/70/76/325327076.db2.gz WZRISYDLYCRFGK-PWSUYJOCSA-N 0 0 237.343 2.298 10 0 BEAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC1(C)CCC1 ZINC000133891229 325327262 /nfs/dbraw/zinc/32/72/62/325327262.db2.gz WZRISYDLYCRFGK-ZYHUDNBSSA-N 0 0 237.343 2.298 10 0 BEAERN CN(CC1CC(O)C1)C(=O)C1(C)CCCCC1 ZINC000135387801 325410083 /nfs/dbraw/zinc/41/00/83/325410083.db2.gz HCCKKUPSTKRYAF-UHFFFAOYSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@H](O)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000548071147 325426448 /nfs/dbraw/zinc/42/64/48/325426448.db2.gz RMWLQUDTTFGAOK-PYNQCMFNSA-N 0 0 239.359 2.185 10 0 BEAERN CC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153278580 325935625 /nfs/dbraw/zinc/93/56/25/325935625.db2.gz OHFCWZRTVTZVEJ-GFCCVEGCSA-N 0 0 207.248 2.339 10 0 BEAERN COc1ccc([C@H](C)C(=O)NCCCF)cc1 ZINC000154050521 326126713 /nfs/dbraw/zinc/12/67/13/326126713.db2.gz PISVBOAUIISEQT-JTQLQIEISA-N 0 0 239.290 2.275 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCC1(C2CC2)CCC1 ZINC000155258042 326190200 /nfs/dbraw/zinc/19/02/00/326190200.db2.gz FNXJDPWJVMRISZ-ONGXEEELSA-N 0 0 222.332 2.274 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2ccsc2)O1 ZINC000155273440 326190924 /nfs/dbraw/zinc/19/09/24/326190924.db2.gz YAPYSMUFIOPRDF-IONNQARKSA-N 0 0 211.286 2.254 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2F)O1 ZINC000155511704 326198282 /nfs/dbraw/zinc/19/82/82/326198282.db2.gz DLWUQYLLASPQPY-HQJQHLMTSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCCCC(C)(C)C)O1 ZINC000155945766 326215500 /nfs/dbraw/zinc/21/55/00/326215500.db2.gz JJXJWPLOOMEXHQ-WDEREUQCSA-N 0 0 227.348 2.496 10 0 BEAERN CCc1cnc(NC(=O)[C@H]2CC[C@@H](C)O2)s1 ZINC000157685227 326290568 /nfs/dbraw/zinc/29/05/68/326290568.db2.gz VMQVPVZFKDLJOT-VXNVDRBHSA-N 0 0 240.328 2.212 10 0 BEAERN CC(C)c1nccnc1NC1C[C@H](C)O[C@@H](C)C1 ZINC000568843035 326379073 /nfs/dbraw/zinc/37/90/73/326379073.db2.gz OWZYIPCXMUXJLF-QWRGUYRKSA-N 0 0 249.358 2.390 10 0 BEAERN CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073894988 487983452 /nfs/dbraw/zinc/98/34/52/487983452.db2.gz FTSJVFVAMPLULY-BQBZGAKWSA-N 0 0 224.226 2.037 10 0 BEAERN CCCCN(CC)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000220515257 487988168 /nfs/dbraw/zinc/98/81/68/487988168.db2.gz POHHDEICDYCSDL-NSHDSACASA-N 0 0 249.358 2.163 10 0 BEAERN C[C@H]1Cc2c(-c3ccccc3)ncnc2N(C)N1 ZINC000147691713 488050843 /nfs/dbraw/zinc/05/08/43/488050843.db2.gz YPDMSKWLGJPZJK-JTQLQIEISA-N 0 0 240.310 2.029 10 0 BEAERN COC1(C(=O)N[C@H](C)C(C)C)CCCC1 ZINC000683112614 488113838 /nfs/dbraw/zinc/11/38/38/488113838.db2.gz VOQYIJBODDSBSJ-SNVBAGLBSA-N 0 0 213.321 2.106 10 0 BEAERN COc1ccccc1[C@@H](C)[NH2+][C@@H](C(=O)[O-])C1CC1 ZINC000086758620 487546280 /nfs/dbraw/zinc/54/62/80/487546280.db2.gz TZKSXEHYINRMLC-NOZJJQNGSA-N 0 0 249.310 2.209 10 0 BEAERN Cc1cnc([C@H](C)Nc2ccc(C)nn2)o1 ZINC000231747520 487474489 /nfs/dbraw/zinc/47/44/89/487474489.db2.gz AGTDDIGWNDWCIO-VIFPVBQESA-N 0 0 218.260 2.255 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000673910452 487477579 /nfs/dbraw/zinc/47/75/79/487477579.db2.gz BMGWEDHVDHZYOO-QJPTWQEYSA-N 0 0 242.363 2.025 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000300224918 487505347 /nfs/dbraw/zinc/50/53/47/487505347.db2.gz PVSAMJHVSMDOLB-AAEUAGOBSA-N 0 0 227.348 2.464 10 0 BEAERN CC1(C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300601316 487523045 /nfs/dbraw/zinc/52/30/45/487523045.db2.gz ZBWKRQHNNYHTMI-VLEAKVRGSA-N 0 0 207.317 2.195 10 0 BEAERN CC[C@@H](CCO)Nc1nc(C)cc(C(C)C)n1 ZINC000134441283 488167599 /nfs/dbraw/zinc/16/75/99/488167599.db2.gz HSOHBGBBFQPGCT-NSHDSACASA-N 0 0 237.347 2.481 10 0 BEAERN COc1ncccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667912330 488154268 /nfs/dbraw/zinc/15/42/68/488154268.db2.gz DUZUZSYXJSZDFC-PWSUYJOCSA-N 0 0 234.299 2.070 10 0 BEAERN Cc1ncccc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667913043 488155638 /nfs/dbraw/zinc/15/56/38/488155638.db2.gz WEBRVNWJVYTVAH-WCQYABFASA-N 0 0 218.300 2.369 10 0 BEAERN Cc1cnc([C@H](C)N[C@H]2CO[C@H](C3CC3)C2)o1 ZINC000667949529 488166507 /nfs/dbraw/zinc/16/65/07/488166507.db2.gz IIPYRGPTYSADLI-WCQGTBRESA-N 0 0 236.315 2.201 10 0 BEAERN O[C@@H]1CCC[C@H](Cn2cnc3c2CCCC3)C1 ZINC000380116710 488173094 /nfs/dbraw/zinc/17/30/94/488173094.db2.gz AXHKVTDVFVRBCD-NWDGAFQWSA-N 0 0 234.343 2.313 10 0 BEAERN CCC1(NC(=O)N[C@H](COC)C2CC2)CCC1 ZINC000120040016 490054545 /nfs/dbraw/zinc/05/45/45/490054545.db2.gz DLDUNDUTOKNKRT-LLVKDONJSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1occc1C(=O)Nc1cc(Cl)ncn1 ZINC000020295993 490102687 /nfs/dbraw/zinc/10/26/87/490102687.db2.gz FDFQMEBGJUDSFI-UHFFFAOYSA-N 0 0 237.646 2.284 10 0 BEAERN O=C(CC1(O)CCCCC1)N1C[C@@H]2CCC[C@@H]21 ZINC000334196104 490114458 /nfs/dbraw/zinc/11/44/58/490114458.db2.gz KXKCJEZGEXIWBY-RYUDHWBXSA-N 0 0 237.343 2.083 10 0 BEAERN CC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000124831756 490187292 /nfs/dbraw/zinc/18/72/92/490187292.db2.gz YJQWVSQAWCRNKP-NOZJJQNGSA-N 0 0 247.294 2.395 10 0 BEAERN CCC[C@H]1CN(c2ccccc2N)CC[C@H]1O ZINC000409433760 490243832 /nfs/dbraw/zinc/24/38/32/490243832.db2.gz NJNDJPMTLBFVGS-SMDDNHRTSA-N 0 0 234.343 2.256 10 0 BEAERN COCc1ccc(CNCc2ccccn2)o1 ZINC000125006324 490409851 /nfs/dbraw/zinc/40/98/51/490409851.db2.gz QDHGBAARAJBGRB-UHFFFAOYSA-N 0 0 232.283 2.111 10 0 BEAERN CC(C)NC(=O)N1CCOc2ccc(F)cc21 ZINC000074902659 490508093 /nfs/dbraw/zinc/50/80/93/490508093.db2.gz JPHXRXSTLLLVSR-UHFFFAOYSA-N 0 0 238.262 2.143 10 0 BEAERN CCC(CC)CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000127202918 490541147 /nfs/dbraw/zinc/54/11/47/490541147.db2.gz XJOSGGASOXKLOJ-GXSJLCMTSA-N 0 0 213.321 2.106 10 0 BEAERN COc1ccc(C[C@H](C)C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000128276380 490575760 /nfs/dbraw/zinc/57/57/60/490575760.db2.gz WCYCEUSMBTXSEI-MJVIPROJSA-N 0 0 247.338 2.398 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000128272072 490575829 /nfs/dbraw/zinc/57/58/29/490575829.db2.gz PMTZJYAHLOKUHZ-CBAPKCEASA-N 0 0 217.259 2.337 10 0 BEAERN CC(C)(C)[C@@H](O)CNc1ncnc2c1CCCC2 ZINC000129195655 490606788 /nfs/dbraw/zinc/60/67/88/490606788.db2.gz PFFAGPYYXFNFAN-LBPRGKRZSA-N 0 0 249.358 2.174 10 0 BEAERN O[C@@H]1CCC[C@@H]1CNc1ncc(Cl)s1 ZINC000307366128 490657945 /nfs/dbraw/zinc/65/79/45/490657945.db2.gz KKDWSXAFASTXAE-RNFRBKRXSA-N 0 0 232.736 2.369 10 0 BEAERN CCc1ccc(CNC(=O)[C@@H](C)COC)s1 ZINC000103379901 490673764 /nfs/dbraw/zinc/67/37/64/490673764.db2.gz QFYHKFCTTYVDKP-VIFPVBQESA-N 0 0 241.356 2.209 10 0 BEAERN CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000086992774 491065182 /nfs/dbraw/zinc/06/51/82/491065182.db2.gz VBNVQTWTLXAGAV-QMMMGPOBSA-N 0 0 210.252 2.124 10 0 BEAERN CCc1c(C(=O)N[C@@H]2C[C@H]2C)cnn1CC(C)C ZINC000129612110 491114317 /nfs/dbraw/zinc/11/43/17/491114317.db2.gz MKXLLPXSAGOTDM-ZYHUDNBSSA-N 0 0 249.358 2.240 10 0 BEAERN C[C@H]1CSC[C@@]1(O)c1ccccc1F ZINC000307518689 491123200 /nfs/dbraw/zinc/12/32/00/491123200.db2.gz VKLJMCKHZKJNMB-KWQFWETISA-N 0 0 212.289 2.396 10 0 BEAERN C[C@@H]1CSC[C@@]1(O)c1cccc(F)c1 ZINC000307523586 491123201 /nfs/dbraw/zinc/12/32/01/491123201.db2.gz DSLWTKRKUTVPQD-KCJUWKMLSA-N 0 0 212.289 2.396 10 0 BEAERN OCCC1(CNc2ccc(Cl)cn2)CC1 ZINC000133017867 491127564 /nfs/dbraw/zinc/12/75/64/491127564.db2.gz YTBWDZSQIRNESP-UHFFFAOYSA-N 0 0 226.707 2.310 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC000230175282 491127940 /nfs/dbraw/zinc/12/79/40/491127940.db2.gz DIARNYKZBISODI-AGIUHOORSA-N 0 0 239.359 2.044 10 0 BEAERN CCc1cc(N[C@](C)(CC)CCO)ncn1 ZINC000230216842 491128686 /nfs/dbraw/zinc/12/86/86/491128686.db2.gz ZLLUDGYVZRXGCC-GFCCVEGCSA-N 0 0 223.320 2.002 10 0 BEAERN CCC[C@@H](O)Cc1nc([C@@H]2CC2(C)C)no1 ZINC000230933811 491131092 /nfs/dbraw/zinc/13/10/92/491131092.db2.gz IRBVHPKEMYJIKS-BDAKNGLRSA-N 0 0 224.304 2.287 10 0 BEAERN CC(C)NC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000074904189 491131983 /nfs/dbraw/zinc/13/19/83/491131983.db2.gz XUYCMROYIMMQDM-JTQLQIEISA-N 0 0 234.299 2.392 10 0 BEAERN CCc1cc(NC(=O)c2cc(F)ccc2O)n[nH]1 ZINC000134949556 491132682 /nfs/dbraw/zinc/13/26/82/491132682.db2.gz QNTXNUCJKUFMIL-UHFFFAOYSA-N 0 0 249.245 2.069 10 0 BEAERN CCc1nc([C@H](O)C2(C)CC2)sc1N ZINC000757124860 582500318 /nfs/dbraw/zinc/50/03/18/582500318.db2.gz DJLYQVODQCPISU-ZETCQYMHSA-N 0 0 212.318 2.121 10 0 BEAERN C[C@@H](O)CCNc1ccc2c(ccn2C)c1 ZINC000757127800 582502935 /nfs/dbraw/zinc/50/29/35/582502935.db2.gz IAGBEDYBJYTIDH-SNVBAGLBSA-N 0 0 218.300 2.361 10 0 BEAERN CC(=O)c1csc([C@H](O)C2CCC2)n1 ZINC000757128468 582503018 /nfs/dbraw/zinc/50/30/18/582503018.db2.gz KZWVOHMMPRSPJD-SECBINFHSA-N 0 0 211.286 2.179 10 0 BEAERN CC(=O)c1cnc([C@H](O)[C@H]2C[C@@H]2C)s1 ZINC000757133908 582510589 /nfs/dbraw/zinc/51/05/89/582510589.db2.gz XSHQJIIZBMBHCU-XWDQLLGVSA-N 0 0 211.286 2.035 10 0 BEAERN OCC(F)(F)CNc1cc2ccccc2[nH]1 ZINC000757136152 582515464 /nfs/dbraw/zinc/51/54/64/582515464.db2.gz MIFZFKAPTPAVEY-UHFFFAOYSA-N 0 0 226.226 2.207 10 0 BEAERN O=S(=O)(c1cccc2cccnc21)C(F)F ZINC000757137138 582516825 /nfs/dbraw/zinc/51/68/25/582516825.db2.gz XMTMGFSMOJBOIC-UHFFFAOYSA-N 0 0 243.234 2.231 10 0 BEAERN CCC[C@H]1CC[NH2+][C@@]2(COC(C)(C)C2)O1 ZINC000757153858 582538468 /nfs/dbraw/zinc/53/84/68/582538468.db2.gz YDKKUUNLANPEIC-CMPLNLGQSA-N 0 0 213.321 2.060 10 0 BEAERN CC(C)[C@@]1(C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O ZINC000757168595 582549295 /nfs/dbraw/zinc/54/92/95/582549295.db2.gz IQCAKVPMNRWKNQ-NRUUGDAUSA-N 0 0 243.347 2.307 10 0 BEAERN CCc1ccc(CS[C@@H](CC)C(N)=O)o1 ZINC000757170214 582549944 /nfs/dbraw/zinc/54/99/44/582549944.db2.gz OWEDPIDIMHVZHB-JTQLQIEISA-N 0 0 227.329 2.339 10 0 BEAERN C[C@H]1C[C@H](C)n2nc3c(c2N1)CCCN3 ZINC000235695522 582603018 /nfs/dbraw/zinc/60/30/18/582603018.db2.gz ILNMZDQWVRVPTN-YUMQZZPRSA-N 0 0 206.293 2.006 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2C[C@@H](C)C[C@H](O)C2)C1 ZINC000401490774 533817129 /nfs/dbraw/zinc/81/71/29/533817129.db2.gz YAQKPFRVEXZGOV-VOAKCMCISA-N 0 0 239.359 2.042 10 0 BEAERN Cc1c(F)cccc1NCc1nnnn1C(C)C ZINC000174323087 533892589 /nfs/dbraw/zinc/89/25/89/533892589.db2.gz VJXNGZOEHOXUCX-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN O=Cc1ccc(N2CC[C@H](C3CC3)C2)o1 ZINC000307451308 582655375 /nfs/dbraw/zinc/65/53/75/582655375.db2.gz QGBGDCWOLZYKAW-JTQLQIEISA-N 0 0 205.257 2.328 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000481447284 534122865 /nfs/dbraw/zinc/12/28/65/534122865.db2.gz ANRUMOIHEXZFOR-KKOKHZNYSA-N 0 0 240.347 2.042 10 0 BEAERN CC(C)c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000238212744 582743406 /nfs/dbraw/zinc/74/34/06/582743406.db2.gz LIWYOFDDIGPLNQ-UHFFFAOYSA-N 0 0 202.257 2.289 10 0 BEAERN CC(C)(C)OC(=O)n1ccc2c[n+]([O-])ccc21 ZINC000238852891 518862618 /nfs/dbraw/zinc/86/26/18/518862618.db2.gz HRUZLVGCWPFKQF-UHFFFAOYSA-N 0 0 234.255 2.058 10 0 BEAERN CCCOCCOC(=O)C[C@@H]1C=CCC1 ZINC000107414618 582798174 /nfs/dbraw/zinc/79/81/74/582798174.db2.gz JFUBACXHEDWBJG-LLVKDONJSA-N 0 0 212.289 2.313 10 0 BEAERN CCCOCn1cc(Br)cn1 ZINC000062701660 520261065 /nfs/dbraw/zinc/26/10/65/520261065.db2.gz SJNMSHMSQQMWQL-UHFFFAOYSA-N 0 0 219.082 2.030 10 0 BEAERN CCOC(=O)/C=C\C(Cl)(Cl)Cl ZINC000017313611 520403723 /nfs/dbraw/zinc/40/37/23/520403723.db2.gz IZIBACDHNNVHQA-ARJAWSKDSA-N 0 0 217.479 2.476 10 0 BEAERN CCCSC1=C(Cl)CS(=O)(=O)C1 ZINC000334162114 520547315 /nfs/dbraw/zinc/54/73/15/520547315.db2.gz JTVSVLSSVBEYQX-UHFFFAOYSA-N 0 0 226.750 2.008 10 0 BEAERN CCOC(=O)[C@@H](CC)c1nc(C(C)C)no1 ZINC000057353543 521056141 /nfs/dbraw/zinc/05/61/41/521056141.db2.gz AXAFEHNGILDRMO-QMMMGPOBSA-N 0 0 226.276 2.250 10 0 BEAERN CCOC(=O)c1n[nH]c(C2CC2)c1Cl ZINC000117685869 521369929 /nfs/dbraw/zinc/36/99/29/521369929.db2.gz WCRFEGIUFISMLA-UHFFFAOYSA-N 0 0 214.652 2.117 10 0 BEAERN CC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000336006961 534608687 /nfs/dbraw/zinc/60/86/87/534608687.db2.gz JGEDRLCNEMKEJY-VHSXEESVSA-N 0 0 210.321 2.226 10 0 BEAERN COC(=O)[C@H]1C=Cc2cc(Cl)ccc2O1 ZINC000057349054 523944315 /nfs/dbraw/zinc/94/43/15/523944315.db2.gz MIJOUBSUVXCYJI-SNVBAGLBSA-N 0 0 224.643 2.287 10 0 BEAERN Cc1ccc(F)c(C(=O)OC2CCOCC2)c1 ZINC000108945231 582867817 /nfs/dbraw/zinc/86/78/17/582867817.db2.gz PDCGDZRIFQNXTC-UHFFFAOYSA-N 0 0 238.258 2.470 10 0 BEAERN COC(=O)[C@](C)(c1cccc(Cl)c1)N(C)C ZINC000095532544 524003346 /nfs/dbraw/zinc/00/33/46/524003346.db2.gz SZZRXQOWNBWHHH-LBPRGKRZSA-N 0 0 241.718 2.290 10 0 BEAERN CCC(CC)(CC)NC(=O)[C@H](C)COC ZINC000152704446 534907851 /nfs/dbraw/zinc/90/78/51/534907851.db2.gz PPVTWPQDXDEVKI-SNVBAGLBSA-N 0 0 215.337 2.354 10 0 BEAERN C[C@@H]1CC(=O)CN(Cc2ccccc2)[C@H]1C ZINC000238852441 526214341 /nfs/dbraw/zinc/21/43/41/526214341.db2.gz GBNPXKCPQPNLBB-NEPJUHHUSA-N 0 0 217.312 2.486 10 0 BEAERN CC(=O)c1ccccc1N1CCn2ccnc2C1 ZINC000062252846 534917072 /nfs/dbraw/zinc/91/70/72/534917072.db2.gz GVZLOYIYXYTYBF-UHFFFAOYSA-N 0 0 241.294 2.106 10 0 BEAERN CC(C)(C)[C@@H](O)COc1cccc2c1OCC2 ZINC000401822305 526645658 /nfs/dbraw/zinc/64/56/58/526645658.db2.gz ZQCHTANPAPYZSG-LBPRGKRZSA-N 0 0 236.311 2.407 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)C1C(C)(C)C1(C)C ZINC000305152409 526712503 /nfs/dbraw/zinc/71/25/03/526712503.db2.gz PAJAXSPOKPOYDM-SECBINFHSA-N 0 0 241.375 2.192 10 0 BEAERN CC(=O)NCCCC(=O)c1ccc(C)cc1 ZINC000039110044 526728816 /nfs/dbraw/zinc/72/88/16/526728816.db2.gz MYJDSUWALJUANG-UHFFFAOYSA-N 0 0 219.284 2.094 10 0 BEAERN N=C1NN=C(c2cc3ccccc3o2)CS1 ZINC000040537919 526840369 /nfs/dbraw/zinc/84/03/69/526840369.db2.gz UJXDBOJGLRZWFG-UHFFFAOYSA-N 0 0 231.280 2.408 10 0 BEAERN CC(C)OC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000496666052 527815303 /nfs/dbraw/zinc/81/53/03/527815303.db2.gz UQGPGYNTNDVFKT-VIFPVBQESA-N 0 0 215.293 2.031 10 0 BEAERN CC1=CC(c2ccccc2)=NN2CCN=C12 ZINC000039109134 528095673 /nfs/dbraw/zinc/09/56/73/528095673.db2.gz CQEDNSMYGDRGJA-UHFFFAOYSA-N 0 0 211.268 2.065 10 0 BEAERN COC1(C(=O)N2C[C@H]3CCC[C@@H]32)CCCCC1 ZINC000335339307 536527196 /nfs/dbraw/zinc/52/71/96/536527196.db2.gz RYJIOQRRCJMLNM-NEPJUHHUSA-N 0 0 237.343 2.347 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000174744326 528416725 /nfs/dbraw/zinc/41/67/25/528416725.db2.gz IQQHBYLSIFLMEV-MXWKQRLJSA-N 0 0 224.348 2.328 10 0 BEAERN Cc1cc(N)nn1C[C@@H](C)CC(F)F ZINC000701469301 582916685 /nfs/dbraw/zinc/91/66/85/582916685.db2.gz RMOHWHHFKGOPII-LURJTMIESA-N 0 0 203.236 2.065 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1CC[C@H](CCO)C1 ZINC000307985755 529308135 /nfs/dbraw/zinc/30/81/35/529308135.db2.gz CPAXNFWETLLMIZ-CHWSQXEVSA-N 0 0 241.375 2.290 10 0 BEAERN CCC(O)(CC)Cn1cnc2c1CCCC2 ZINC000229399883 535224556 /nfs/dbraw/zinc/22/45/56/535224556.db2.gz GPAPTLYBOBZQKF-UHFFFAOYSA-N 0 0 222.332 2.313 10 0 BEAERN CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181174790 535228424 /nfs/dbraw/zinc/22/84/24/535228424.db2.gz YMSSTFUFXFOZEP-CDCCAWJDSA-N 0 0 248.330 2.215 10 0 BEAERN CC/C=C(\C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172384240 535228429 /nfs/dbraw/zinc/22/84/29/535228429.db2.gz IGQUGUBSGGXBCK-NYYWCZLTSA-N 0 0 247.342 2.472 10 0 BEAERN CC(C)[C@@H]1N(C(=O)C(C)(C)C)C[C@@]12CCCO2 ZINC000336169519 535286702 /nfs/dbraw/zinc/28/67/02/535286702.db2.gz WDFXBOPFDSTBEC-FZMZJTMJSA-N 0 0 239.359 2.449 10 0 BEAERN CCCN(CCC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000079487390 535319347 /nfs/dbraw/zinc/31/93/47/535319347.db2.gz VPAYDJUSVHRXLW-RYUDHWBXSA-N 0 0 242.363 2.386 10 0 BEAERN CCCC[C@@H](CC)CSC[C@@H](O)CO ZINC000086660554 535348927 /nfs/dbraw/zinc/34/89/27/535348927.db2.gz WZQWSWMEERVFPL-MNOVXSKESA-N 0 0 220.378 2.289 10 0 BEAERN CCO[C@H]1CCCN(c2ccc(CO)cc2)C1 ZINC000042423406 535621370 /nfs/dbraw/zinc/62/13/70/535621370.db2.gz NIRIXULZTNCUBT-AWEZNQCLSA-N 0 0 235.327 2.184 10 0 BEAERN CCCn1nccc1NCc1ccn(C)c1 ZINC000124845891 535643134 /nfs/dbraw/zinc/64/31/34/535643134.db2.gz FVORDHJBPYDTQY-UHFFFAOYSA-N 0 0 218.304 2.244 10 0 BEAERN CCOc1c(F)cccc1C(=O)N[C@H]1C[C@@H]1C ZINC000173032785 535655102 /nfs/dbraw/zinc/65/51/02/535655102.db2.gz VNRDTIAAYZVQHP-KWQFWETISA-N 0 0 237.274 2.363 10 0 BEAERN CC[C@@H](NC(=O)N[C@@H]1CCCOCC1)C(C)C ZINC000408117965 535796092 /nfs/dbraw/zinc/79/60/92/535796092.db2.gz KKPAISMRJFKTDF-VXGBXAGGSA-N 0 0 242.363 2.289 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)c1ncncc1Cl ZINC000175805772 535941574 /nfs/dbraw/zinc/94/15/74/535941574.db2.gz VCCSHADTLLFIMT-YUMQZZPRSA-N 0 0 241.722 2.294 10 0 BEAERN CC[C@H](C)CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000188003802 536117112 /nfs/dbraw/zinc/11/71/12/536117112.db2.gz GAORYKQZVFYNGF-GARJFASQSA-N 0 0 213.321 2.058 10 0 BEAERN CCc1ccc(NCc2nnnn2C(C)C)cc1 ZINC000194989510 536190109 /nfs/dbraw/zinc/19/01/09/536190109.db2.gz UUZNETHHRSKRCO-UHFFFAOYSA-N 0 0 245.330 2.429 10 0 BEAERN CN1C(=O)COc2c(Cl)c(Cl)ccc21 ZINC000062530383 536314569 /nfs/dbraw/zinc/31/45/69/536314569.db2.gz LCEBERFJPURGCZ-UHFFFAOYSA-N 0 0 232.066 2.349 10 0 BEAERN CN1C(=O)COc2cc(Cl)c(Cl)cc21 ZINC000062530350 536314835 /nfs/dbraw/zinc/31/48/35/536314835.db2.gz NYELWXKCJDMRBY-UHFFFAOYSA-N 0 0 232.066 2.349 10 0 BEAERN COC1CCN(c2cc(F)ccc2N)CC1 ZINC000052120150 536757029 /nfs/dbraw/zinc/75/70/29/536757029.db2.gz JUYTYGVJCPLINF-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN COC1CCN(c2ccc([C@H](C)O)cc2)CC1 ZINC000035631748 536757548 /nfs/dbraw/zinc/75/75/48/536757548.db2.gz LLQHMBVSWBDGFN-NSHDSACASA-N 0 0 235.327 2.355 10 0 BEAERN COCc1ccsc1C(=O)N[C@H]1C[C@@H]1C ZINC000181458161 536811383 /nfs/dbraw/zinc/81/13/83/536811383.db2.gz GIVUTYVBBWVNPZ-CBAPKCEASA-N 0 0 225.313 2.033 10 0 BEAERN CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000115876297 537905175 /nfs/dbraw/zinc/90/51/75/537905175.db2.gz MJGWLGNBRPVODR-MWLCHTKSSA-N 0 0 241.331 2.469 10 0 BEAERN CNCC(F)(F)COCCCC1CC1 ZINC000685956989 537944853 /nfs/dbraw/zinc/94/48/53/537944853.db2.gz OYXOGQGDLIAFNK-UHFFFAOYSA-N 0 0 207.264 2.048 10 0 BEAERN COC(=O)[C@]1(C)OC12CCCCCCC2 ZINC000085657741 537972371 /nfs/dbraw/zinc/97/23/71/537972371.db2.gz GHDYRXDFFKVGAB-NSHDSACASA-N 0 0 212.289 2.431 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCC21CCC1 ZINC000307324752 566278608 /nfs/dbraw/zinc/27/86/08/566278608.db2.gz KFTZGIRMTBIUBV-MNOVXSKESA-N 0 0 230.691 2.218 10 0 BEAERN CC(C)c1nc2n(n1)[C@H](C(F)(F)F)CCN2 ZINC000232805931 566370908 /nfs/dbraw/zinc/37/09/08/566370908.db2.gz LDXDXMDYJTWHPJ-LURJTMIESA-N 0 0 234.225 2.321 10 0 BEAERN CC[NH2+]Cc1occ(C(F)F)c1C(=O)[O-] ZINC000675051957 566375987 /nfs/dbraw/zinc/37/59/87/566375987.db2.gz YMHPPISSNUAKMC-UHFFFAOYSA-N 0 0 219.187 2.025 10 0 BEAERN CC(C)(C)c1ccc(N)c(=O)n1C1CC1 ZINC000082521188 566409860 /nfs/dbraw/zinc/40/98/60/566409860.db2.gz YLKRHPKWTPOFOB-UHFFFAOYSA-N 0 0 206.289 2.063 10 0 BEAERN CCOC(=O)[C@@H]1CCCc2ccccc2N1 ZINC000259809996 566477948 /nfs/dbraw/zinc/47/79/48/566477948.db2.gz PHNQBYSWAJDVIQ-LBPRGKRZSA-N 0 0 219.284 2.367 10 0 BEAERN CC(C(=O)C(C)(F)F)=C(O)[C@@H]1C[C@@H]1C ZINC000321702734 566482672 /nfs/dbraw/zinc/48/26/72/566482672.db2.gz DKTSUKDJLDDREX-RRKCRQDMSA-N 0 0 204.216 2.072 10 0 BEAERN C[C@H](C(=O)[C@H]1C[C@H]1C)C(=O)C(C)(F)F ZINC000321702732 566482869 /nfs/dbraw/zinc/48/28/69/566482869.db2.gz DKTSUKDJLDDREX-QYNIQEEDSA-N 0 0 204.216 2.072 10 0 BEAERN CCCc1ncc(C(=O)OCC)c(CC)n1 ZINC000230389012 566489461 /nfs/dbraw/zinc/48/94/61/566489461.db2.gz NGSDUSUQYVOEEU-UHFFFAOYSA-N 0 0 222.288 2.168 10 0 BEAERN CCOC(=O)c1cnc(CC)nc1C(F)F ZINC000230391330 566489653 /nfs/dbraw/zinc/48/96/53/566489653.db2.gz XMAILWJIHRBNHL-UHFFFAOYSA-N 0 0 230.214 2.153 10 0 BEAERN O[C@@H]1C(c2ccc(Cl)cc2)=CC=C[C@@H]1O ZINC000004097204 560194518 /nfs/dbraw/zinc/19/45/18/560194518.db2.gz AUTJOUWLKSMLFP-NWDGAFQWSA-N 0 0 222.671 2.015 10 0 in-vitro BEAERN COCC(=O)c1cc2c(cc1O)OC(C)(C)C=C2 ZINC000014454936 574413449 /nfs/dbraw/zinc/41/34/49/574413449.db2.gz TZTBQYUROLBSLN-UHFFFAOYSA-N 0 0 248.278 2.406 10 0 endogenous,in-man BEAERN CCOC(=O)[C@@H](O)[C@@]1(F)C[C@H](C)C[C@H](C)C1 ZINC000675052473 583301901 /nfs/dbraw/zinc/30/19/01/583301901.db2.gz FJICFNFYTZRXJF-DTHBNOIPSA-N 0 0 232.295 2.075 10 0 BEAERN CC[C@H]1CN(C(=O)N2CCCCC2)C[C@@H](C)O1 ZINC000111421834 588749068 /nfs/dbraw/zinc/74/90/68/588749068.db2.gz FJVKJKZBKRRWDP-NEPJUHHUSA-N 0 0 240.347 2.092 10 0 BEAERN CC[C@H]1CN(C(=O)N2CCCCC2)C[C@H](C)O1 ZINC000111421829 588749140 /nfs/dbraw/zinc/74/91/40/588749140.db2.gz FJVKJKZBKRRWDP-RYUDHWBXSA-N 0 0 240.347 2.092 10 0 BEAERN CCCCc1sc(N)nc1C(=O)OCC ZINC000111853551 588772302 /nfs/dbraw/zinc/77/23/02/588772302.db2.gz UMMKAWAFHPRRGD-UHFFFAOYSA-N 0 0 228.317 2.245 10 0 BEAERN COC[C@@H](C)C(=O)OCCc1ccc(F)cc1 ZINC000111992035 588777833 /nfs/dbraw/zinc/77/78/33/588777833.db2.gz XJWGORHHRUNNQF-SNVBAGLBSA-N 0 0 240.274 2.194 10 0 BEAERN COCCCOC(=O)[C@H](C)Cc1ccccc1 ZINC000112149277 588783295 /nfs/dbraw/zinc/78/32/95/588783295.db2.gz SPDXPRKHZQXLAE-GFCCVEGCSA-N 0 0 236.311 2.445 10 0 BEAERN Cc1nnc([C@@H](C)OC(=O)C[C@@H]2C=CCC2)o1 ZINC000112157172 588783488 /nfs/dbraw/zinc/78/34/88/588783488.db2.gz NDNJVYUSSNSGPM-PSASIEDQSA-N 0 0 236.271 2.339 10 0 BEAERN Cc1cc(C(=O)Nc2n[nH]cc2C)c(C)o1 ZINC000112635174 588808008 /nfs/dbraw/zinc/80/80/08/588808008.db2.gz NQFUFCHUTYYTHD-UHFFFAOYSA-N 0 0 219.244 2.180 10 0 BEAERN CC(C)(C)SCCOC(=O)[C@H]1CCCOC1 ZINC000112764448 588816337 /nfs/dbraw/zinc/81/63/37/588816337.db2.gz VBALHAIKRQLMHK-JTQLQIEISA-N 0 0 246.372 2.488 10 0 BEAERN CO[C@@H](C)CC(=O)OCCSC(C)(C)C ZINC000112763423 588816400 /nfs/dbraw/zinc/81/64/00/588816400.db2.gz HKJIMGKOVYSKAD-VIFPVBQESA-N 0 0 234.361 2.486 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC(C)(C)C[C@@H]2C ZINC000234589097 582460274 /nfs/dbraw/zinc/46/02/74/582460274.db2.gz PCHBNHYDPCTXGS-UWJYBYFXSA-N 0 0 212.289 2.143 10 0 BEAERN Nc1ccc2cnn(CC(F)(F)F)c2c1 ZINC000011757168 582457478 /nfs/dbraw/zinc/45/74/78/582457478.db2.gz CTZIQNAMCYZICY-UHFFFAOYSA-N 0 0 215.178 2.181 10 0 BEAERN Nc1ccc(Cl)cc1N1CCCC1=O ZINC000021968797 582459892 /nfs/dbraw/zinc/45/98/92/582459892.db2.gz BNXJRSHPLQVXRC-UHFFFAOYSA-N 0 0 210.664 2.049 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccc(C)s1 ZINC000234597818 582461143 /nfs/dbraw/zinc/46/11/43/582461143.db2.gz IUGCWNAMQFNPGR-ZJUUUORDSA-N 0 0 246.715 2.410 10 0 BEAERN COC(=O)c1cnc([C@@H](O)C(C)(C)C)s1 ZINC000757121450 582497067 /nfs/dbraw/zinc/49/70/67/582497067.db2.gz BIXMCYKCXJZLTF-SSDOTTSWSA-N 0 0 229.301 2.009 10 0 BEAERN CNCc1csc(C(=O)C(C)(C)C)n1 ZINC000757123021 582498241 /nfs/dbraw/zinc/49/82/41/582498241.db2.gz HXVUVCJSPMAQEN-UHFFFAOYSA-N 0 0 212.318 2.091 10 0 BEAERN CN1CCc2cc(NC[C@H]3CCCO3)ccc21 ZINC000757123246 582498375 /nfs/dbraw/zinc/49/83/75/582498375.db2.gz ACCJSGKMWNTPHD-CYBMUJFWSA-N 0 0 232.327 2.270 10 0 BEAERN Cc1nc([C@H](O)C(C)(C)C)sc1C=O ZINC000757124078 582499666 /nfs/dbraw/zinc/49/96/66/582499666.db2.gz BZKKDUQMNWALQD-QMMMGPOBSA-N 0 0 213.302 2.344 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1ncc(C(=O)OC)s1 ZINC000757125729 582500023 /nfs/dbraw/zinc/50/00/23/582500023.db2.gz TUXBJQFAMSUFAQ-HTRCEHHLSA-N 0 0 229.301 2.009 10 0 BEAERN CCOC1=N[C@H](CC(C)C)C(OCC)=NC1 ZINC000757125716 582500111 /nfs/dbraw/zinc/50/01/11/582500111.db2.gz APEVACZDNLYLBQ-SNVBAGLBSA-N 0 0 226.320 2.285 10 0 BEAERN COC(=O)c1sc([C@@H](O)C(C)(C)C)nc1C ZINC000757125661 582500253 /nfs/dbraw/zinc/50/02/53/582500253.db2.gz FJMQMFRNRUMZQW-MRVPVSSYSA-N 0 0 243.328 2.318 10 0 BEAERN CCCC[C@@H](O)c1nc(C)c(C=O)s1 ZINC000757126234 582500571 /nfs/dbraw/zinc/50/05/71/582500571.db2.gz GOQIPHDHMQAZNO-MRVPVSSYSA-N 0 0 213.302 2.488 10 0 BEAERN CCCC(=O)c1ncc(C2(C)OCCO2)s1 ZINC000757127169 582502411 /nfs/dbraw/zinc/50/24/11/582502411.db2.gz YAIBBVIBTGZYLR-UHFFFAOYSA-N 0 0 241.312 2.345 10 0 BEAERN COc1ccc2nn3c(c2c1)N[C@H](C)CC3 ZINC000235011371 582503590 /nfs/dbraw/zinc/50/35/90/582503590.db2.gz LRKSDXOQXLWWKQ-MRVPVSSYSA-N 0 0 217.272 2.249 10 0 BEAERN CCCC[C@@H]1N=C(OCC)CN=C1OCC ZINC000757129464 582503794 /nfs/dbraw/zinc/50/37/94/582503794.db2.gz WTMCITKXWLOTPA-JTQLQIEISA-N 0 0 226.320 2.429 10 0 BEAERN CC[C@@H](O)[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153101 582536763 /nfs/dbraw/zinc/53/67/63/582536763.db2.gz NDTQXYVCYQJDRC-VXGBXAGGSA-N 0 0 228.719 2.323 10 0 BEAERN CCc1ccc(CSCC(=O)OC)o1 ZINC000757164590 582546212 /nfs/dbraw/zinc/54/62/12/582546212.db2.gz HVGQOCDWDMQLJO-UHFFFAOYSA-N 0 0 214.286 2.248 10 0 BEAERN CCc1ccc(CS[C@H](CC)C(N)=O)o1 ZINC000757170216 582549879 /nfs/dbraw/zinc/54/98/79/582549879.db2.gz OWEDPIDIMHVZHB-SNVBAGLBSA-N 0 0 227.329 2.339 10 0 BEAERN CCOC(=O)/C=C/c1ccnn1C(C)C ZINC000757190295 582555945 /nfs/dbraw/zinc/55/59/45/582555945.db2.gz QXCLJZDPYLGPJU-AATRIKPKSA-N 0 0 208.261 2.040 10 0 BEAERN Cc1ccc2oc([C@H]3C[NH2+]C[C@@H]3C(=O)[O-])cc2c1 ZINC000757193848 582557281 /nfs/dbraw/zinc/55/72/81/582557281.db2.gz SMZIHAUSQRYDQS-QWRGUYRKSA-N 0 0 245.278 2.129 10 0 BEAERN Cc1cccc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])c1Cl ZINC000757193437 582557684 /nfs/dbraw/zinc/55/76/84/582557684.db2.gz PSLFKRVFZHCJJW-VHSXEESVSA-N 0 0 239.702 2.036 10 0 BEAERN Cc1c(Cl)cccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757195083 582558354 /nfs/dbraw/zinc/55/83/54/582558354.db2.gz ZHDVBUBUGZNTDN-UWVGGRQHSA-N 0 0 239.702 2.036 10 0 BEAERN CC(=O)c1ccc([C@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)cc1 ZINC000757209755 582559684 /nfs/dbraw/zinc/55/96/84/582559684.db2.gz CHSOJBIMJNSFFA-QWHCGFSZSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@H]1CC[NH2+][C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213259 582560658 /nfs/dbraw/zinc/56/06/58/582560658.db2.gz IYEDCEOIDRVSOW-CABZTGNLSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@@H]1CNc2nc(-c3ccccc3)nn2C1 ZINC000235364091 582567873 /nfs/dbraw/zinc/56/78/73/582567873.db2.gz USTHYVCBALVXOF-SECBINFHSA-N 0 0 214.272 2.007 10 0 BEAERN C[C@@H]1CCn2nc(-c3cccnc3)cc2N1 ZINC000235399129 582576737 /nfs/dbraw/zinc/57/67/37/582576737.db2.gz KLKKDEKVXYMMKD-SECBINFHSA-N 0 0 214.272 2.149 10 0 BEAERN C[C@@H]1C[C@@H](C)n2nc(C3CCC3)nc2N1 ZINC000235407792 582578274 /nfs/dbraw/zinc/57/82/74/582578274.db2.gz XPADUICIXXLHSS-HTQZYQBOSA-N 0 0 206.293 2.311 10 0 BEAERN Cc1nc2n(n1)[C@@H](c1cccs1)CCN2 ZINC000236035858 582636658 /nfs/dbraw/zinc/63/66/58/582636658.db2.gz SWJSSCIMLKDYIS-MRVPVSSYSA-N 0 0 220.301 2.053 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCCCC2(C)C ZINC000234594334 582642163 /nfs/dbraw/zinc/64/21/63/582642163.db2.gz LAGPCBWBOIDRCD-MNOVXSKESA-N 0 0 232.707 2.464 10 0 BEAERN O[C@H](Cc1ccc(Cl)s1)c1cn[nH]c1 ZINC000306712196 582654104 /nfs/dbraw/zinc/65/41/04/582654104.db2.gz OJTXJIZBBFYJLD-MRVPVSSYSA-N 0 0 228.704 2.401 10 0 BEAERN O=C1C[C@@H](c2ccc(Cl)cc2F)CN1 ZINC000238596158 582671951 /nfs/dbraw/zinc/67/19/51/582671951.db2.gz PRWJVEJCVPWVQQ-ZCFIWIBFSA-N 0 0 213.639 2.083 10 0 BEAERN Cc1cc(N)nn1C[C@@H]1CCC[C@@H](C)C1 ZINC000379775686 582683393 /nfs/dbraw/zinc/68/33/93/582683393.db2.gz CUJOJBCBKTVXSL-MWLCHTKSSA-N 0 0 207.321 2.430 10 0 BEAERN Cc1occc1COC(=O)c1cccnc1 ZINC000113678573 588848318 /nfs/dbraw/zinc/84/83/18/588848318.db2.gz WWDWRMPWYHQCCS-UHFFFAOYSA-N 0 0 217.224 2.340 10 0 BEAERN COC[C@H](C)OC(=O)Cc1ccc(C)s1 ZINC000113682314 588849943 /nfs/dbraw/zinc/84/99/43/588849943.db2.gz VIGGIUZIIUEJTB-QMMMGPOBSA-N 0 0 228.313 2.177 10 0 BEAERN CS[C@H](C)C(=O)O[C@@H](C)c1cccnc1 ZINC000113684749 588850043 /nfs/dbraw/zinc/85/00/43/588850043.db2.gz YBGCFQMJELJTHZ-DTWKUNHWSA-N 0 0 225.313 2.437 10 0 BEAERN CCOC(=O)[C@H](CC)C(=O)C1CCCC1 ZINC000043501903 582790905 /nfs/dbraw/zinc/79/09/05/582790905.db2.gz YJWZDQCJUJMDIC-SNVBAGLBSA-N 0 0 212.289 2.335 10 0 BEAERN CCOCCC(=O)C1=C(O)CCCCC1 ZINC000043651213 582806007 /nfs/dbraw/zinc/80/60/07/582806007.db2.gz RXGQLMVXUOTDKM-JTQLQIEISA-N 0 0 212.289 2.132 10 0 BEAERN CC(=O)[C@H]1CCCN(Cc2nc(C)c(C)o2)C1 ZINC000111690413 582818182 /nfs/dbraw/zinc/81/81/82/582818182.db2.gz OKUIHXMVHJLKFZ-LBPRGKRZSA-N 0 0 236.315 2.092 10 0 BEAERN Cc1ccc([C@H](O)c2cn[nH]c2)cc1Cl ZINC000389704416 582881651 /nfs/dbraw/zinc/88/16/51/582881651.db2.gz KPSPCRHXGNMCKE-NSHDSACASA-N 0 0 222.675 2.453 10 0 BEAERN CCOC(=O)c1nc(C(C)(C)C)ncc1C ZINC000300915324 582904822 /nfs/dbraw/zinc/90/48/22/582904822.db2.gz UEHQRGCIBDBHFP-UHFFFAOYSA-N 0 0 222.288 2.259 10 0 BEAERN CCOC(=O)c1noc([C@@H](C)C2CCC2)n1 ZINC000703090081 582930869 /nfs/dbraw/zinc/93/08/69/582930869.db2.gz RTJNTHTWMQQCSF-ZETCQYMHSA-N 0 0 224.260 2.150 10 0 BEAERN Cc1ccc([C@@H]2NCCc3ccoc32)o1 ZINC000703088481 582931295 /nfs/dbraw/zinc/93/12/95/582931295.db2.gz JOQBRJNLCHMEMM-NSHDSACASA-N 0 0 203.241 2.416 10 0 BEAERN CCOC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000114043969 588865575 /nfs/dbraw/zinc/86/55/75/588865575.db2.gz XIXVYSQESGYHQU-UHFFFAOYSA-N 0 0 233.189 2.206 10 0 BEAERN CCCC[C@@]1(C)O[C@]1(Cl)C(=O)OC ZINC000394594041 582995302 /nfs/dbraw/zinc/99/53/02/582995302.db2.gz XWYNZDKELAUYTF-RKDXNWHRSA-N 0 0 206.669 2.074 10 0 BEAERN CC(C)(C)/C=C/C(=O)NCc1cscn1 ZINC000114254407 588872511 /nfs/dbraw/zinc/87/25/11/588872511.db2.gz IJYSHPRYDVJHIY-SNAWJCMRSA-N 0 0 224.329 2.362 10 0 BEAERN Nc1nn(CCSC(F)(F)F)cc1Cl ZINC000123448268 583085991 /nfs/dbraw/zinc/08/59/91/583085991.db2.gz ZRYAKGZGCQJNRA-UHFFFAOYSA-N 0 0 245.657 2.372 10 0 BEAERN CC(C(=O)C(C)(F)F)=C(O)[C@H]1CC1(C)C ZINC000397573379 583102357 /nfs/dbraw/zinc/10/23/57/583102357.db2.gz FLEDBZXCPZHXTL-NKWVEPMBSA-N 0 0 218.243 2.462 10 0 BEAERN CCn1nc(C)c([C@@H](C)NCc2cocn2)c1C ZINC000397921649 583113380 /nfs/dbraw/zinc/11/33/80/583113380.db2.gz LRISDFGYPRCPLJ-SECBINFHSA-N 0 0 248.330 2.359 10 0 BEAERN C[C@H]1CCC[C@H](N(C)c2ncc(C=O)cn2)C1 ZINC000126288489 583206104 /nfs/dbraw/zinc/20/61/04/583206104.db2.gz HSDXGBHJHPBLRU-JQWIXIFHSA-N 0 0 233.315 2.304 10 0 BEAERN C[C@@H]1CCNc2cc(-c3ccncc3)nn21 ZINC000235334565 583209697 /nfs/dbraw/zinc/20/96/97/583209697.db2.gz VOGASGQZQITFBG-SECBINFHSA-N 0 0 214.272 2.322 10 0 BEAERN CC1(C)C[C@H]1NC(=O)NCC[C@@H]1CCCCO1 ZINC000332836106 583302368 /nfs/dbraw/zinc/30/23/68/583302368.db2.gz DVVOMDMLAQQJMP-WDEREUQCSA-N 0 0 240.347 2.043 10 0 BEAERN CCOC(=O)[C@H]1CCCc2ccccc2N1 ZINC000259809995 583362387 /nfs/dbraw/zinc/36/23/87/583362387.db2.gz PHNQBYSWAJDVIQ-GFCCVEGCSA-N 0 0 219.284 2.367 10 0 BEAERN CC[C@@H](C[C@@H](C)O)NC(=O)OC(C)(C)C ZINC000204969249 583392260 /nfs/dbraw/zinc/39/22/60/583392260.db2.gz TUOHMCNHHUDBAX-BDAKNGLRSA-N 0 0 217.309 2.061 10 0 BEAERN CSC1CCN(C(=O)N2CCCCC2)CC1 ZINC000300905882 583464217 /nfs/dbraw/zinc/46/42/17/583464217.db2.gz WOQVSLTZSLDLLB-UHFFFAOYSA-N 0 0 242.388 2.420 10 0 BEAERN COC(=O)C1CCC(C(=O)OCC(C)C)CC1 ZINC000115778064 588930708 /nfs/dbraw/zinc/93/07/08/588930708.db2.gz HCMMULMBIAALIU-UHFFFAOYSA-N 0 0 242.315 2.165 10 0 BEAERN CCOC(=O)/C=C\COc1ccccc1 ZINC000211364315 583986886 /nfs/dbraw/zinc/98/68/86/583986886.db2.gz NJSISRJQJSTBPG-TWGQIWQCSA-N 0 0 206.241 2.185 10 0 BEAERN COC(=O)C[C@@H](C)OC(=O)/C=C\c1ccccc1 ZINC000203848519 583988987 /nfs/dbraw/zinc/98/89/87/583988987.db2.gz RBBPDPKWXOYZAE-TYBABMIJSA-N 0 0 248.278 2.195 10 0 BEAERN COC(=O)C[C@H](C)OC(=O)/C=C\c1ccccc1 ZINC000203848506 583989072 /nfs/dbraw/zinc/98/90/72/583989072.db2.gz RBBPDPKWXOYZAE-IQQGHNRFSA-N 0 0 248.278 2.195 10 0 BEAERN O=C(OCC(F)(F)F)c1ccsc1 ZINC000122303357 584897279 /nfs/dbraw/zinc/89/72/79/584897279.db2.gz XYTRBUNVPKQCGJ-UHFFFAOYSA-N 0 0 210.176 2.467 10 0 BEAERN COC(=O)[C@@H]1O[C@@]12CCC(C)(C)C[C@@H]2C ZINC000088133575 584907484 /nfs/dbraw/zinc/90/74/84/584907484.db2.gz AHSHWKJIDFQMMA-HOTUBEGUSA-N 0 0 212.289 2.143 10 0 BEAERN COC[C@@H](C)C(=O)OC1CCCCC1 ZINC000103356252 585096786 /nfs/dbraw/zinc/09/67/86/585096786.db2.gz AKTUVAXBKZTHNP-SECBINFHSA-N 0 0 200.278 2.145 10 0 BEAERN COC[C@H](C)C(=O)OCCc1ccccc1 ZINC000103552191 585336053 /nfs/dbraw/zinc/33/60/53/585336053.db2.gz LOUASHZHHSUWJS-NSHDSACASA-N 0 0 222.284 2.055 10 0 BEAERN CCCCOC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000103641062 586242937 /nfs/dbraw/zinc/24/29/37/586242937.db2.gz LBSNNWQUHWRQMX-LLVKDONJSA-N 0 0 249.310 2.148 10 0 BEAERN CC[C@@H](C)OC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000103666236 586287214 /nfs/dbraw/zinc/28/72/14/586287214.db2.gz QYOKXIJNLCRXPU-SKDRFNHKSA-N 0 0 248.278 2.110 10 0 BEAERN Nc1nc(C2CCCC2)nc2[nH]ccc21 ZINC000757566007 586305108 /nfs/dbraw/zinc/30/51/08/586305108.db2.gz JRXYASGZHDZRQV-UHFFFAOYSA-N 0 0 202.261 2.149 10 0 BEAERN C[C@@H]1C[C@H]1COC(=O)[C@@H]1CC1(Cl)Cl ZINC000103682775 586407921 /nfs/dbraw/zinc/40/79/21/586407921.db2.gz UVTFBNFAQTWTMC-VQVTYTSYSA-N 0 0 223.099 2.379 10 0 BEAERN CC(C)(C)COC(=O)[C@H]1CCCOC1 ZINC000103699605 586418208 /nfs/dbraw/zinc/41/82/08/586418208.db2.gz CRYPLUDKXMBWSU-VIFPVBQESA-N 0 0 200.278 2.002 10 0 BEAERN COC[C@@H](C)C(=O)O[C@@H](C)Cc1ccccc1 ZINC000103696119 586416991 /nfs/dbraw/zinc/41/69/91/586416991.db2.gz VIPCLKZWPDTFSV-NEPJUHHUSA-N 0 0 236.311 2.443 10 0 BEAERN Cc1noc(C)c1CC(=O)OCC(C)(C)C ZINC000103700489 586417618 /nfs/dbraw/zinc/41/76/18/586417618.db2.gz OMHDDHKMOQPTNP-UHFFFAOYSA-N 0 0 225.288 2.423 10 0 BEAERN CC(C)(C)COC(=O)CNC(=O)CC(C)(C)C ZINC000103699613 586418596 /nfs/dbraw/zinc/41/85/96/586418596.db2.gz FOSHGSDCTWKXSW-UHFFFAOYSA-N 0 0 243.347 2.128 10 0 BEAERN CC(=O)c1cnc([C@@H](O)C(C)(C)F)s1 ZINC000757131357 586425644 /nfs/dbraw/zinc/42/56/44/586425644.db2.gz RMUJSLBIVTTXAO-SSDOTTSWSA-N 0 0 217.265 2.127 10 0 BEAERN CC[C@H](CO)Nc1cc2ccccc2[nH]1 ZINC000757135593 586427024 /nfs/dbraw/zinc/42/70/24/586427024.db2.gz GRLABRGDOXNNFN-SNVBAGLBSA-N 0 0 204.273 2.351 10 0 BEAERN O=S(=O)(Cc1ccc(Cl)cc1)C(F)F ZINC000757136653 586427195 /nfs/dbraw/zinc/42/71/95/586427195.db2.gz NMDDRDFBXYZMCL-UHFFFAOYSA-N 0 0 240.658 2.477 10 0 BEAERN CC[C@H](Cc1ccc(Cl)c(C)c1)NN ZINC000757161651 586432060 /nfs/dbraw/zinc/43/20/60/586432060.db2.gz XLHNKIVXXRVFBP-SNVBAGLBSA-N 0 0 212.724 2.433 10 0 BEAERN CC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2c(C)cccc2C)C1 ZINC000757185775 586434159 /nfs/dbraw/zinc/43/41/59/586434159.db2.gz CPCYQTKDYCMGTK-QWHCGFSZSA-N 0 0 247.338 2.423 10 0 BEAERN Cc1csc([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1Cl ZINC000757194159 586436581 /nfs/dbraw/zinc/43/65/81/586436581.db2.gz VWSKONUWOWCCMG-RQJHMYQMSA-N 0 0 245.731 2.098 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218252 586441748 /nfs/dbraw/zinc/44/17/48/586441748.db2.gz URLBDRMTJHQOPY-PWSUYJOCSA-N 0 0 244.294 2.088 10 0 BEAERN CC(=O)c1ccc([C@H]2CC[C@H](C(=O)[O-])C[NH2+]2)cc1 ZINC000757220106 586442053 /nfs/dbraw/zinc/44/20/53/586442053.db2.gz ZXKKPYGKEPRLBC-QWHCGFSZSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)C[NH2+]1 ZINC000757232519 586443120 /nfs/dbraw/zinc/44/31/20/586443120.db2.gz IOTVRYFNVZHNNT-JOYOIKCWSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@@H]1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237583 586443711 /nfs/dbraw/zinc/44/37/11/586443711.db2.gz QHBQTHCVUULJEL-BXKDBHETSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237590 586443720 /nfs/dbraw/zinc/44/37/20/586443720.db2.gz QHBQTHCVUULJEL-JOYOIKCWSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1CCC[NH2+][C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757239377 586444097 /nfs/dbraw/zinc/44/40/97/586444097.db2.gz UAEZKLIZUVUYJC-JOYOIKCWSA-N 0 0 219.284 2.445 10 0 BEAERN Cc1sc([C@H]2C[NH2+]CC[C@@H]2C)cc1C(=O)[O-] ZINC000757239260 586444223 /nfs/dbraw/zinc/44/42/23/586444223.db2.gz TWMZFUZXJBDQQU-XVKPBYJWSA-N 0 0 239.340 2.468 10 0 BEAERN C[C@H]1[NH2+]CCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757243224 586445079 /nfs/dbraw/zinc/44/50/79/586445079.db2.gz ZWNLWZVIQUWBKZ-SKDRFNHKSA-N 0 0 219.284 2.240 10 0 BEAERN CC(C)(Br)COC(=O)C(C)(C)F ZINC000757553537 586459589 /nfs/dbraw/zinc/45/95/89/586459589.db2.gz SIQHEMLEZYPMPJ-UHFFFAOYSA-N 0 0 241.100 2.451 10 0 BEAERN c1coc(-c2nc3[nH]ccc3c(NC3CC3)n2)c1 ZINC000757564095 586461308 /nfs/dbraw/zinc/46/13/08/586461308.db2.gz BEFIXWATJBALBD-UHFFFAOYSA-N 0 0 240.266 2.214 10 0 BEAERN CCOCCOCCOC(=O)/C=C/C(C)(C)C ZINC000117084515 589074666 /nfs/dbraw/zinc/07/46/66/589074666.db2.gz PYYVHOSOBWFKBA-VOTSOKGWSA-N 0 0 244.331 2.185 10 0 BEAERN Cc1ccc(N(C)Cc2nnnn2C(C)C)cc1 ZINC000101561828 587761109 /nfs/dbraw/zinc/76/11/09/587761109.db2.gz OMXSGZYFBBCEJC-UHFFFAOYSA-N 0 0 245.330 2.199 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)c2ncoc2C)C1 ZINC000121515639 587973210 /nfs/dbraw/zinc/97/32/10/587973210.db2.gz SZUGZRRTDGJROE-NXEZZACHSA-N 0 0 239.271 2.097 10 0 BEAERN CC(=O)O[C@H](C)C(Cl)(Cl)Cl ZINC000005751113 588264630 /nfs/dbraw/zinc/26/46/30/588264630.db2.gz YFLDUTFKTAURAE-GSVOUGTGSA-N 0 0 205.468 2.308 10 0 BEAERN Cc1ccn2cnc(Br)c2c1 ZINC000107212097 588342362 /nfs/dbraw/zinc/34/23/62/588342362.db2.gz XRVRUEFQEDNRLE-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN CCOCCN(CC)C(=O)CSC(C)(C)C ZINC000107493512 588371180 /nfs/dbraw/zinc/37/11/80/588371180.db2.gz NGWVBQWBSQEAPD-UHFFFAOYSA-N 0 0 247.404 2.403 10 0 BEAERN O=C(OC1CCOCC1)c1cccc(F)c1F ZINC000108945224 588506142 /nfs/dbraw/zinc/50/61/42/588506142.db2.gz QZJQJKPCHZEWCH-UHFFFAOYSA-N 0 0 242.221 2.301 10 0 BEAERN CCCC(=O)Oc1cccc(CC(=O)OC)c1 ZINC000109193557 588530769 /nfs/dbraw/zinc/53/07/69/588530769.db2.gz GWVYLQXMXPQWGN-UHFFFAOYSA-N 0 0 236.267 2.108 10 0 BEAERN O=C(CC1CCCC1)OCC(=O)C1CC1 ZINC000109367231 588556528 /nfs/dbraw/zinc/55/65/28/588556528.db2.gz KWLGHMMNTAXIMF-UHFFFAOYSA-N 0 0 210.273 2.089 10 0 BEAERN CCCCCCC(=O)OCC(=O)C1CC1 ZINC000109370894 588557460 /nfs/dbraw/zinc/55/74/60/588557460.db2.gz UNMRINZXBBSYSQ-UHFFFAOYSA-N 0 0 212.289 2.479 10 0 BEAERN NC(=O)c1cccc(-c2ccc(C=O)s2)c1 ZINC000117785610 589124729 /nfs/dbraw/zinc/12/47/29/589124729.db2.gz HOGNPTSZPBNSCQ-UHFFFAOYSA-N 0 0 231.276 2.327 10 0 BEAERN CC[C@@H](C)C(=O)OCC1(CC)COC1 ZINC000118960707 589222979 /nfs/dbraw/zinc/22/29/79/589222979.db2.gz MTIWUMVLPKINSQ-SECBINFHSA-N 0 0 200.278 2.002 10 0 BEAERN CCC1(COC(=O)CCCSC)COC1 ZINC000118989718 589226957 /nfs/dbraw/zinc/22/69/57/589226957.db2.gz MUWRMGVTFDZKKN-UHFFFAOYSA-N 0 0 232.345 2.099 10 0 BEAERN CCC1(COC(=O)/C=C(/C)C2CC2)COC1 ZINC000119004733 589230456 /nfs/dbraw/zinc/23/04/56/589230456.db2.gz OVTXEAISUMRBHT-POHAHGRESA-N 0 0 224.300 2.313 10 0 BEAERN O=C(CCc1ccncc1)OCc1ccoc1 ZINC000119403558 589281174 /nfs/dbraw/zinc/28/11/74/589281174.db2.gz SVWIDVCEYFAFTL-UHFFFAOYSA-N 0 0 231.251 2.351 10 0 BEAERN C/C=C(/C)C(=O)OCCc1cccnc1 ZINC000119614506 589314514 /nfs/dbraw/zinc/31/45/14/589314514.db2.gz JZKBTCDWXOSFMF-KMKOMSMNSA-N 0 0 205.257 2.134 10 0 BEAERN CC(C)(C)/C=C/C(=O)OCCc1cn[nH]c1 ZINC000120269969 589398358 /nfs/dbraw/zinc/39/83/58/589398358.db2.gz SIYROJLTZAXOMW-GQCTYLIASA-N 0 0 222.288 2.098 10 0 BEAERN C[C@H]1CC[C@H](CC(=O)OCC(=O)C2CC2)C1 ZINC000120292578 589400883 /nfs/dbraw/zinc/40/08/83/589400883.db2.gz JKRJMGMSECXTBK-UWVGGRQHSA-N 0 0 224.300 2.335 10 0 BEAERN CNc1nc(C(=O)N2CCCC2(C)C)cs1 ZINC000120344482 589405169 /nfs/dbraw/zinc/40/51/69/589405169.db2.gz QKYHJLCRRRFYKH-UHFFFAOYSA-N 0 0 239.344 2.199 10 0 BEAERN Cc1ccc2c(c1)CCCN2C[C@@H](C)CO ZINC000120564740 589438776 /nfs/dbraw/zinc/43/87/76/589438776.db2.gz BSAKGVFXAQNSBL-GFCCVEGCSA-N 0 0 219.328 2.376 10 0 BEAERN Cc1ccc(N(C)C[C@@H](C)CO)c(C)c1 ZINC000120675803 589453843 /nfs/dbraw/zinc/45/38/43/589453843.db2.gz VYDDXASSSYTPBP-LLVKDONJSA-N 0 0 207.317 2.368 10 0 BEAERN COc1ccccc1C(=O)OCC(F)(F)F ZINC000121130948 589502633 /nfs/dbraw/zinc/50/26/33/589502633.db2.gz QQOFUSWIYWEFER-UHFFFAOYSA-N 0 0 234.173 2.414 10 0 BEAERN CC(C)=CC(=O)N(C(C)C)C1CCOCC1 ZINC000121601064 589520443 /nfs/dbraw/zinc/52/04/43/589520443.db2.gz PDOBFVINQRKKPS-UHFFFAOYSA-N 0 0 225.332 2.369 10 0 BEAERN O=C(C[C@H]1CCCCO1)OC1(C2CC2)CC1 ZINC000121748304 589529473 /nfs/dbraw/zinc/52/94/73/589529473.db2.gz JGXSLTXGTMYYIT-LLVKDONJSA-N 0 0 224.300 2.431 10 0 BEAERN Cc1ccc(C(=O)OCc2nccn2C)cc1 ZINC000122031276 589550269 /nfs/dbraw/zinc/55/02/69/589550269.db2.gz MVPLODJKRNCEEL-UHFFFAOYSA-N 0 0 230.267 2.086 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCCc2ccccc2)O1 ZINC000122245006 589572448 /nfs/dbraw/zinc/57/24/48/589572448.db2.gz QTQJHLUXLHNDGS-AAEUAGOBSA-N 0 0 234.295 2.340 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCc2ccccc2)O1 ZINC000122244765 589572706 /nfs/dbraw/zinc/57/27/06/589572706.db2.gz QTQJHLUXLHNDGS-YPMHNXCESA-N 0 0 234.295 2.340 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCc2ccccc2)O1 ZINC000122265721 589573919 /nfs/dbraw/zinc/57/39/19/589573919.db2.gz TVGDIQWPYSHGCJ-CMPLNLGQSA-N 0 0 220.268 2.297 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCc2cccc(F)c2)O1 ZINC000122301019 589577453 /nfs/dbraw/zinc/57/74/53/589577453.db2.gz IWIXQGKXXCOANZ-JOYOIKCWSA-N 0 0 238.258 2.436 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCCCc2ccncc2)O1 ZINC000122380526 589585041 /nfs/dbraw/zinc/58/50/41/589585041.db2.gz NADVJYCXXAPHJI-AAEUAGOBSA-N 0 0 249.310 2.125 10 0 BEAERN C[C@@H]1CN(C(=O)N2CCCCC2)CCS1 ZINC000122532850 589599972 /nfs/dbraw/zinc/59/99/72/589599972.db2.gz CKEXPXXRWYDAAD-SNVBAGLBSA-N 0 0 228.361 2.030 10 0 BEAERN CCCCC[C@@H](CC)C(=O)N1CC(CO)C1 ZINC000122780468 589631412 /nfs/dbraw/zinc/63/14/12/589631412.db2.gz QNSJGDWSPZRBEY-GFCCVEGCSA-N 0 0 227.348 2.044 10 0 BEAERN O=C(C[C@@H]1C=CCC1)OC[C@@H]1CCCO1 ZINC000122862461 589640276 /nfs/dbraw/zinc/64/02/76/589640276.db2.gz RFSGKIWQDGOLSU-MNOVXSKESA-N 0 0 210.273 2.065 10 0 BEAERN CN(CCC(=O)C(C)(C)C)CC(F)F ZINC000122894850 589643173 /nfs/dbraw/zinc/64/31/73/589643173.db2.gz JMSRLKGUTOEGPM-UHFFFAOYSA-N 0 0 207.264 2.189 10 0 BEAERN Cc1occc1C(=O)OCC(F)(F)F ZINC000123119668 589662478 /nfs/dbraw/zinc/66/24/78/589662478.db2.gz SDCPSQCZSLTKDQ-UHFFFAOYSA-N 0 0 208.135 2.307 10 0 BEAERN O=C(C[C@@H]1C=CCC1)OCC(F)(F)F ZINC000123120125 589662664 /nfs/dbraw/zinc/66/26/64/589662664.db2.gz YLHHDSLIAQSLEB-SSDOTTSWSA-N 0 0 208.179 2.448 10 0 BEAERN O=C(CCc1ccncc1)OC[C@@H]1CCCCO1 ZINC000123331465 589690863 /nfs/dbraw/zinc/69/08/63/589690863.db2.gz OJLNSBGRTWVYME-ZDUSSCGKSA-N 0 0 249.310 2.127 10 0 BEAERN C[C@H]1CN(c2ccc(Cl)nn2)CCS1 ZINC000123630843 589758509 /nfs/dbraw/zinc/75/85/09/589758509.db2.gz ZIVCGJMXBDNGEM-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN CCCCOC(=O)c1ccnc(-n2ccnc2)c1 ZINC000123897926 589849478 /nfs/dbraw/zinc/84/94/78/589849478.db2.gz OKNMULYFKGPGAI-UHFFFAOYSA-N 0 0 245.282 2.224 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCC(C)(C)C)O1 ZINC000124097809 589941027 /nfs/dbraw/zinc/94/10/27/589941027.db2.gz IVKSNAAWAJTJKN-RKDXNWHRSA-N 0 0 200.278 2.143 10 0 BEAERN CCc1c(N)n(C)nc1-c1cccs1 ZINC000019688945 589971354 /nfs/dbraw/zinc/97/13/54/589971354.db2.gz NRLPRULFEYBHIQ-UHFFFAOYSA-N 0 0 207.302 2.293 10 0 BEAERN CCc1c(N)n[nH]c1-c1ccccc1F ZINC000019688917 589971574 /nfs/dbraw/zinc/97/15/74/589971574.db2.gz MXEIKVJMBWIKQP-UHFFFAOYSA-N 0 0 205.236 2.360 10 0 BEAERN CO[C@H](C)CCOC(=O)C1=CCCCC1 ZINC000124522505 590046345 /nfs/dbraw/zinc/04/63/45/590046345.db2.gz DBHLOYIXRNENRM-SNVBAGLBSA-N 0 0 212.289 2.455 10 0 BEAERN CC[C@H](C)OC(=O)c1ccnc(-n2ccnc2)c1 ZINC000124547496 590049072 /nfs/dbraw/zinc/04/90/72/590049072.db2.gz LOAMFHMDBBNEQT-JTQLQIEISA-N 0 0 245.282 2.223 10 0 BEAERN CCCCSCCC(=O)O[C@@H]1CCOC1 ZINC000124740198 590080313 /nfs/dbraw/zinc/08/03/13/590080313.db2.gz OFMFYDZRBAZURL-SNVBAGLBSA-N 0 0 232.345 2.242 10 0 BEAERN Cc1ccc(OC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000124778550 590084974 /nfs/dbraw/zinc/08/49/74/590084974.db2.gz CNQAXBYHFOEZDS-PWSUYJOCSA-N 0 0 220.268 2.468 10 0 BEAERN C[C@@H](O)c1ccc(N2CCC(C)CC2)nc1 ZINC000124893329 590097942 /nfs/dbraw/zinc/09/79/42/590097942.db2.gz KDCNXONQHQDXGX-LLVKDONJSA-N 0 0 220.316 2.371 10 0 BEAERN CCCCSCCC(=O)O[C@H](C)COC ZINC000124966538 590106345 /nfs/dbraw/zinc/10/63/45/590106345.db2.gz PBOFPJNAPKNNND-SNVBAGLBSA-N 0 0 234.361 2.488 10 0 BEAERN CCOC(=O)CNc1cccc(C)c1C(C)=O ZINC000125185131 590149384 /nfs/dbraw/zinc/14/93/84/590149384.db2.gz BHUDKYPIQNOFLZ-UHFFFAOYSA-N 0 0 235.283 2.173 10 0 BEAERN CC(C)(C)[C@H]1CCN(C(=O)n2ccnc2)C1 ZINC000125580892 590171901 /nfs/dbraw/zinc/17/19/01/590171901.db2.gz DFOIJJQYFHBMCO-JTQLQIEISA-N 0 0 221.304 2.219 10 0 BEAERN COc1cccc([C@H]2C[C@@H]2C(=O)OCCF)c1 ZINC000125600916 590173276 /nfs/dbraw/zinc/17/32/76/590173276.db2.gz MJAISBCJKVGTES-NEPJUHHUSA-N 0 0 238.258 2.311 10 0 BEAERN O=C(C[C@H]1CCOc2ccccc21)OCCF ZINC000125745069 590186666 /nfs/dbraw/zinc/18/66/66/590186666.db2.gz OCJSLTFPNVBKMU-SNVBAGLBSA-N 0 0 238.258 2.456 10 0 BEAERN CC[C@H](OC(=O)COC)c1ccc(F)cc1 ZINC000126566737 590351057 /nfs/dbraw/zinc/35/10/57/590351057.db2.gz QMCVYQWWMPXOHT-NSHDSACASA-N 0 0 226.247 2.466 10 0 BEAERN CCCC[C@@H](C)OC(=O)CCc1cnn(C)c1 ZINC000126595504 590358696 /nfs/dbraw/zinc/35/86/96/590358696.db2.gz CKZCISVBHYWGTD-LLVKDONJSA-N 0 0 238.331 2.475 10 0 BEAERN CCCC[C@@H](C)OC(=O)CCn1cccn1 ZINC000126612158 590373473 /nfs/dbraw/zinc/37/34/73/590373473.db2.gz CJVATWOJDMRAHY-LLVKDONJSA-N 0 0 224.304 2.395 10 0 BEAERN CC(C)CC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000126692073 590416659 /nfs/dbraw/zinc/41/66/59/590416659.db2.gz JSXQDWBODOCBTA-ADEWGFFLSA-N 0 0 226.316 2.389 10 0 BEAERN CC1(OC(=O)CCOC[C@H]2CCCO2)CCC1 ZINC000126772123 590441560 /nfs/dbraw/zinc/44/15/60/590441560.db2.gz GOJLGUJUUNCNNZ-LLVKDONJSA-N 0 0 242.315 2.058 10 0 BEAERN CC(C)OCCC(=O)OC1(C)CCC1 ZINC000126832330 590464101 /nfs/dbraw/zinc/46/41/01/590464101.db2.gz NSONJMYNCQQPHN-UHFFFAOYSA-N 0 0 200.278 2.287 10 0 BEAERN Cc1nn(C)c(C)c1CCOC(=O)C1=CCCC1 ZINC000126855798 590474874 /nfs/dbraw/zinc/47/48/74/590474874.db2.gz BCFAHMHQGKSJNL-UHFFFAOYSA-N 0 0 248.326 2.233 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1cnn(C)c1 ZINC000126864270 590475626 /nfs/dbraw/zinc/47/56/26/590475626.db2.gz SJCYRRXHKUNQFM-SECBINFHSA-N 0 0 210.277 2.156 10 0 BEAERN CC1(OC(=O)CC[C@@H]2CCOC2)CCC1 ZINC000126906247 590493387 /nfs/dbraw/zinc/49/33/87/590493387.db2.gz DXOLQCQACOREIY-SNVBAGLBSA-N 0 0 212.289 2.289 10 0 BEAERN C[C@@H](C(=O)OCc1nccn1C)c1ccccc1 ZINC000127059629 590552679 /nfs/dbraw/zinc/55/26/79/590552679.db2.gz IUEFNAHWPSVRSA-LLVKDONJSA-N 0 0 244.294 2.267 10 0 BEAERN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1cccnc1 ZINC000127202586 590593953 /nfs/dbraw/zinc/59/39/53/590593953.db2.gz XZJGSNJTDPBTNH-TUAOUCFPSA-N 0 0 247.294 2.052 10 0 BEAERN CCn1cc(C(=O)O[C@H](C)C(C)C)cn1 ZINC000127330233 590621730 /nfs/dbraw/zinc/62/17/30/590621730.db2.gz FLHDVBOUJZXBRS-SECBINFHSA-N 0 0 210.277 2.104 10 0 BEAERN CC(C)CCO[C@@H]1CCN(Cc2cncnc2)C1 ZINC000127463082 590677626 /nfs/dbraw/zinc/67/76/26/590677626.db2.gz DEULRDCSQLKSKQ-CQSZACIVSA-N 0 0 249.358 2.114 10 0 BEAERN CC(C)CCC(=O)NCC(=O)O[C@H](C)C(C)C ZINC000127606526 590723050 /nfs/dbraw/zinc/72/30/50/590723050.db2.gz PYMWXVWXIUBNIE-LLVKDONJSA-N 0 0 243.347 2.127 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CC1(C)C)[C@@H]1CCOC1 ZINC000127698963 590756726 /nfs/dbraw/zinc/75/67/26/590756726.db2.gz YWBRFXNULULQLY-OPRDCNLKSA-N 0 0 212.289 2.001 10 0 BEAERN C[C@H]1CN(C(=O)N2CCCCC2)C[C@@H]1C ZINC000128322755 590990387 /nfs/dbraw/zinc/99/03/87/590990387.db2.gz YPORAHLDADBHKQ-QWRGUYRKSA-N 0 0 210.321 2.180 10 0 BEAERN C=COCCOC(=O)c1ccc(OCC)cc1 ZINC000128388744 591016462 /nfs/dbraw/zinc/01/64/62/591016462.db2.gz GOYGNACWWNVYOH-UHFFFAOYSA-N 0 0 236.267 2.402 10 0 BEAERN O=C1CCN[C@@H]1c1ccc(Br)cc1 ZINC000211077593 591112157 /nfs/dbraw/zinc/11/21/57/591112157.db2.gz OOTMVHBDYUYMHQ-SNVBAGLBSA-N 0 0 240.100 2.053 10 0 BEAERN C[C@H](O)c1ccn(Cc2cccc(F)c2F)n1 ZINC000128754905 591157455 /nfs/dbraw/zinc/15/74/55/591157455.db2.gz RGANNWUUJANBKZ-QMMMGPOBSA-N 0 0 238.237 2.263 10 0 BEAERN C[C@@H](O)c1ccn(Cc2csc(C3CC3)n2)n1 ZINC000128806060 591164717 /nfs/dbraw/zinc/16/47/17/591164717.db2.gz YPCDXABTAULXQQ-MRVPVSSYSA-N 0 0 249.339 2.319 10 0 BEAERN CC[C@H](O)c1ccc(OCc2ccn(C)n2)cc1 ZINC000211637048 591208772 /nfs/dbraw/zinc/20/87/72/591208772.db2.gz XPAIPDFQSZMSSS-AWEZNQCLSA-N 0 0 246.310 2.443 10 0 BEAERN COC(=O)/C=C/c1ccc(Br)cn1 ZINC000129919748 591417993 /nfs/dbraw/zinc/41/79/93/591417993.db2.gz WPPLYCCEGMAXOX-SNAWJCMRSA-N 0 0 242.072 2.030 10 0 BEAERN C[C@H](O)c1ccc(N(C)Cc2ccco2)nc1 ZINC000213230140 591455848 /nfs/dbraw/zinc/45/58/48/591455848.db2.gz AVZAVLKQHABFGY-JTQLQIEISA-N 0 0 232.283 2.364 10 0 BEAERN CCOC(=O)[C@@H](C)OC(=O)/C=C/C(C)(C)C ZINC000130733338 591513014 /nfs/dbraw/zinc/51/30/14/591513014.db2.gz WOXCTLGTNWKJCV-FCZSHJHJSA-N 0 0 228.288 2.084 10 0 BEAERN Cc1cc(C)cc(OC(=O)C[C@@H]2COC(=O)C2)c1 ZINC000130749851 591514889 /nfs/dbraw/zinc/51/48/89/591514889.db2.gz HMZUOEVTDUHESD-LLVKDONJSA-N 0 0 248.278 2.162 10 0 BEAERN CCOCC(=O)O[C@H]1C[C@@H](OC)C1(CC)CC ZINC000131140349 591559779 /nfs/dbraw/zinc/55/97/79/591559779.db2.gz ZUAIGWOSPIYYFS-MNOVXSKESA-N 0 0 244.331 2.160 10 0 BEAERN CCC[C@@H](N)c1nc([C@H](CCC)OC)no1 ZINC000131172846 591565060 /nfs/dbraw/zinc/56/50/60/591565060.db2.gz GJZOMBVNQOUUNW-BDAKNGLRSA-N 0 0 227.308 2.357 10 0 BEAERN CCC1(CC)[C@H](OC)C[C@@H]1OC(C)=O ZINC000131219737 591572721 /nfs/dbraw/zinc/57/27/21/591572721.db2.gz FTBYRHMCZMWDCH-ZJUUUORDSA-N 0 0 200.278 2.143 10 0 BEAERN CSCCCC(=O)O[C@@H](C)c1nnc(C)o1 ZINC000131347899 591598979 /nfs/dbraw/zinc/59/89/79/591598979.db2.gz CHOOXYZVSBZCRE-ZETCQYMHSA-N 0 0 244.316 2.125 10 0 BEAERN COC[C@H](OC(=O)c1cccc(F)c1)C1CC1 ZINC000131776787 591655625 /nfs/dbraw/zinc/65/56/25/591655625.db2.gz MIRSINBICRLMGV-LBPRGKRZSA-N 0 0 238.258 2.408 10 0 BEAERN COC[C@H](OC(=O)[C@@H](C)C1CC1)C1CC1 ZINC000131798562 591658784 /nfs/dbraw/zinc/65/87/84/591658784.db2.gz MTTXSSLMBKPBJG-KWQFWETISA-N 0 0 212.289 2.001 10 0 BEAERN COC[C@H](OC(=O)[C@H](C)C1CC1)C1CC1 ZINC000131798740 591659326 /nfs/dbraw/zinc/65/93/26/591659326.db2.gz MTTXSSLMBKPBJG-KCJUWKMLSA-N 0 0 212.289 2.001 10 0 BEAERN CCC[C@@H](C)C(=O)O[C@H](COC)C1CC1 ZINC000131816821 591665406 /nfs/dbraw/zinc/66/54/06/591665406.db2.gz KGOHIYMUBSYISL-MWLCHTKSSA-N 0 0 214.305 2.391 10 0 BEAERN COC[C@H](OC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC000131886401 591675541 /nfs/dbraw/zinc/67/55/41/591675541.db2.gz SRFHYVVSUFUBDT-PWSUYJOCSA-N 0 0 224.300 2.311 10 0 BEAERN COC[C@H](OC(=O)CC(C)C)C1CC1 ZINC000131915762 591677006 /nfs/dbraw/zinc/67/70/06/591677006.db2.gz KPSFCIDIPNHBPJ-JTQLQIEISA-N 0 0 200.278 2.001 10 0 BEAERN Cc1cc(-c2cc(N)n[nH]2)c(F)cc1F ZINC000132027497 591685001 /nfs/dbraw/zinc/68/50/01/591685001.db2.gz VZYWOECZHPLWRF-UHFFFAOYSA-N 0 0 209.199 2.246 10 0 BEAERN COC[C@H](OC(=O)CSC(C)(C)C)C1CC1 ZINC000132263000 591696506 /nfs/dbraw/zinc/69/65/06/591696506.db2.gz AKQQDOVUNCWIFQ-JTQLQIEISA-N 0 0 246.372 2.486 10 0 BEAERN COC[C@@H](OC(=O)CSC(C)(C)C)C1CC1 ZINC000132263164 591697458 /nfs/dbraw/zinc/69/74/58/591697458.db2.gz AKQQDOVUNCWIFQ-SNVBAGLBSA-N 0 0 246.372 2.486 10 0 BEAERN COC[C@@H](OC(=O)CCCCSC)C1CC1 ZINC000132330949 591702183 /nfs/dbraw/zinc/70/21/83/591702183.db2.gz OZOBIZRMLKYIOI-LLVKDONJSA-N 0 0 246.372 2.488 10 0 BEAERN COC[C@@H](OC(=O)c1oc(C)cc1C)C1CC1 ZINC000132322351 591702186 /nfs/dbraw/zinc/70/21/86/591702186.db2.gz WKVXRWFCNMQWHL-LLVKDONJSA-N 0 0 238.283 2.478 10 0 BEAERN CCOCCCCOC(=O)c1cncc(C)c1 ZINC000132387111 591705191 /nfs/dbraw/zinc/70/51/91/591705191.db2.gz XOISTUVBVFTCPZ-UHFFFAOYSA-N 0 0 237.299 2.364 10 0 BEAERN O=C(OC1(C2CC2)CC1)c1cccnc1 ZINC000132438418 591709057 /nfs/dbraw/zinc/70/90/57/591709057.db2.gz GEPGCNOPBHMNNU-UHFFFAOYSA-N 0 0 203.241 2.181 10 0 BEAERN CCCCC(=O)O[C@H](COC)C1CC1 ZINC000132635475 591725986 /nfs/dbraw/zinc/72/59/86/591725986.db2.gz BCQATIXLIPSTQA-SNVBAGLBSA-N 0 0 200.278 2.145 10 0 BEAERN CCC(C)(CC)C(=O)O[C@H](C)CC(=O)OC ZINC000133596609 591831075 /nfs/dbraw/zinc/83/10/75/591831075.db2.gz IJCRGNFOOJSKMH-SECBINFHSA-N 0 0 230.304 2.308 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)N1CCCCC1 ZINC000133648719 591845397 /nfs/dbraw/zinc/84/53/97/591845397.db2.gz WFHVHVUSVZKMKO-LBPRGKRZSA-N 0 0 246.310 2.316 10 0 BEAERN C[C@@H](O)c1ccn(Cc2cccc(F)c2)n1 ZINC000133776088 591855565 /nfs/dbraw/zinc/85/55/65/591855565.db2.gz QWJMTKFWURFGHJ-SECBINFHSA-N 0 0 220.247 2.124 10 0 BEAERN O=C1CCC[C@@H](c2ccc(F)c(F)c2)N1 ZINC000214963037 591909956 /nfs/dbraw/zinc/90/99/56/591909956.db2.gz PMKJZYDRSJXWHH-JTQLQIEISA-N 0 0 211.211 2.306 10 0 BEAERN O=C(CNCc1ccoc1)Nc1cccc(F)c1 ZINC000134288730 591911722 /nfs/dbraw/zinc/91/17/22/591911722.db2.gz XBTDCTLSVFTIOK-UHFFFAOYSA-N 0 0 248.257 2.147 10 0 BEAERN Cc1c(Cl)nnc(N[C@@H]2CCO[C@H]2C)c1C ZINC000134583355 591938788 /nfs/dbraw/zinc/93/87/88/591938788.db2.gz ICGAMVVGFKZKPM-DTWKUNHWSA-N 0 0 241.722 2.336 10 0 BEAERN Cc1nnc(CNCc2ccc(C)cc2)s1 ZINC000134663707 591945998 /nfs/dbraw/zinc/94/59/98/591945998.db2.gz LHTHDGOSHWIWBB-UHFFFAOYSA-N 0 0 233.340 2.445 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cc(C)ccc1F ZINC000134669408 591946539 /nfs/dbraw/zinc/94/65/39/591946539.db2.gz RBBSHPDXRGBVLD-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN Cc1nnc(CN[C@@H](C)CC(F)(F)F)s1 ZINC000134722065 591947812 /nfs/dbraw/zinc/94/78/12/591947812.db2.gz JMHXFWAWXAGKQI-YFKPBYRVSA-N 0 0 239.266 2.277 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000134965576 591967009 /nfs/dbraw/zinc/96/70/09/591967009.db2.gz YEQAEXSEIKONDD-NSHDSACASA-N 0 0 236.290 2.339 10 0 BEAERN C[C@H](C(=O)Nc1ccc(F)nc1)c1cccnc1 ZINC000135021904 591973573 /nfs/dbraw/zinc/97/35/73/591973573.db2.gz AGDWSSKEIPUEQW-VIFPVBQESA-N 0 0 245.257 2.358 10 0 BEAERN CC(=O)C1CCN(C/C=C\Cl)CC1 ZINC000216104778 592009970 /nfs/dbraw/zinc/00/99/70/592009970.db2.gz UCQINXNJBVIMAP-DJWKRKHSSA-N 0 0 201.697 2.040 10 0 BEAERN Cc1ccc(C(=O)NOC2CCCC2)c(C)n1 ZINC000135353549 592009089 /nfs/dbraw/zinc/00/90/89/592009089.db2.gz QZYOKJPIKOAWFQ-UHFFFAOYSA-N 0 0 234.299 2.302 10 0 BEAERN CCC(CC)OC(=O)c1cnn2ccc(C)nc12 ZINC000135356608 592009235 /nfs/dbraw/zinc/00/92/35/592009235.db2.gz JIXAGGKOLRCOLF-UHFFFAOYSA-N 0 0 247.298 2.383 10 0 BEAERN COC(=O)/C=C1\CCc2cc(OC)ccc21 ZINC000216681252 592071047 /nfs/dbraw/zinc/07/10/47/592071047.db2.gz NEKDHWCBQYYWFE-CSKARUKUSA-N 0 0 218.252 2.198 10 0 BEAERN CCOc1ncccc1C(=O)OCC(F)(F)F ZINC000136097826 592093586 /nfs/dbraw/zinc/09/35/86/592093586.db2.gz QHLSMQSTTBJGBX-UHFFFAOYSA-N 0 0 249.188 2.199 10 0 BEAERN O[C@@H](COc1cccc(Cl)c1)C1CC1 ZINC000136690079 592149097 /nfs/dbraw/zinc/14/90/97/592149097.db2.gz MJOVMMDHHXTNIR-NSHDSACASA-N 0 0 212.676 2.490 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(F)F ZINC000220479194 592312356 /nfs/dbraw/zinc/31/23/56/592312356.db2.gz WOILFZGIHUSYOL-NTSWFWBYSA-N 0 0 245.191 2.489 10 0 BEAERN CCN[C@H](C)c1nc([C@H]2CC2(C)C)no1 ZINC000300343229 592507656 /nfs/dbraw/zinc/50/76/56/592507656.db2.gz BZOHIEKMUFILBX-HTQZYQBOSA-N 0 0 209.293 2.254 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000300622006 592516443 /nfs/dbraw/zinc/51/64/43/592516443.db2.gz YRFCLSYSMYUHHP-USZNOCQGSA-N 0 0 225.332 2.106 10 0 BEAERN Cc1c(N)n(C)nc1[C@@H]1CCC(F)(F)C1 ZINC000300912153 592524358 /nfs/dbraw/zinc/52/43/58/592524358.db2.gz DFFPSPNFLQMLFE-SSDOTTSWSA-N 0 0 215.247 2.214 10 0 BEAERN CC[C@H]1CN(C(=O)N2CCCCC2)CCCO1 ZINC000302331545 592546774 /nfs/dbraw/zinc/54/67/74/592546774.db2.gz IWSJEYGRWWNTOM-LBPRGKRZSA-N 0 0 240.347 2.093 10 0 BEAERN CCCC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000123734002 592715095 /nfs/dbraw/zinc/71/50/95/592715095.db2.gz IZENZRCYLSFHNI-UHFFFAOYSA-N 0 0 226.707 2.494 10 0 BEAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1cncs1 ZINC000124701418 634431606 /nfs/dbraw/zinc/43/16/06/634431606.db2.gz DAYZDDCETZRHBC-SFYZADRCSA-N 0 0 222.317 2.278 10 0 BEAERN CCCOC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000310263740 635468506 /nfs/dbraw/zinc/46/85/06/635468506.db2.gz RAJOLYQHXNYTOX-LLVKDONJSA-N 0 0 237.303 2.104 10 0 BEAERN O[C@H](c1cn[nH]c1)c1ccc(Cl)cc1F ZINC000379829816 631243879 /nfs/dbraw/zinc/24/38/79/631243879.db2.gz ZNYINGAPKOJEKO-SNVBAGLBSA-N 0 0 226.638 2.284 10 0 BEAERN CS/C=C/C(=O)OC[C@@H]1CC1(C)C ZINC000308300200 631273423 /nfs/dbraw/zinc/27/34/23/631273423.db2.gz KABNCXLBOQCKDB-ZJELKQJVSA-N 0 0 200.303 2.452 10 0 BEAERN CCc1cnn(-c2cccc(C=O)c2)c1 ZINC000215020604 631301246 /nfs/dbraw/zinc/30/12/46/631301246.db2.gz HQAJRGCTBSMWSV-UHFFFAOYSA-N 0 0 200.241 2.247 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OC/C=C/Br)O1 ZINC000308402982 631327254 /nfs/dbraw/zinc/32/72/54/631327254.db2.gz JTPWOGNTMBSEFQ-NNHTYMAWSA-N 0 0 249.104 2.006 10 0 BEAERN CC[C@H]1CCCN(C(=O)n2ccnc2)CC1 ZINC000083704941 631428078 /nfs/dbraw/zinc/42/80/78/631428078.db2.gz KEUHKBCWSRSZNC-NSHDSACASA-N 0 0 221.304 2.363 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]12CCCC(C)(C)C2 ZINC000084324508 631438131 /nfs/dbraw/zinc/43/81/31/631438131.db2.gz WSCLKDIWUDBUPB-BXKDBHETSA-N 0 0 212.289 2.287 10 0 BEAERN CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C ZINC000067172887 635682348 /nfs/dbraw/zinc/68/23/48/635682348.db2.gz VTKAKUIUQPFPKW-UHFFFAOYSA-N 0 0 237.328 2.336 10 0 BEAERN C[C@H](O)[C@H](C)Nc1nnc(C(C)(C)C)s1 ZINC000309060063 631835652 /nfs/dbraw/zinc/83/56/52/631835652.db2.gz WADTUFAHWRWOOO-BQBZGAKWSA-N 0 0 229.349 2.017 10 0 BEAERN Cc1cccc2c1N[C@H]([C@@H]1CCCOC1)[C@@H](O)C2 ZINC000725268648 631865048 /nfs/dbraw/zinc/86/50/48/631865048.db2.gz XMHVJPSGUIMKNF-VNHYZAJKSA-N 0 0 247.338 2.119 10 0 BEAERN CC(C)(C)[C@H](O)COc1ccc(C=O)cc1 ZINC000309132951 631902896 /nfs/dbraw/zinc/90/28/96/631902896.db2.gz HZPLCXMWWOEFSE-GFCCVEGCSA-N 0 0 222.284 2.285 10 0 BEAERN CCn1ncnc1-c1cccc(C(C)=O)c1 ZINC000309149026 631910467 /nfs/dbraw/zinc/91/04/67/631910467.db2.gz OHMWVMSGMSAECS-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN CCONC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000161321229 631911212 /nfs/dbraw/zinc/91/12/12/631911212.db2.gz OCPQGTDIGSNMLL-UHFFFAOYSA-N 0 0 238.331 2.062 10 0 BEAERN CS[C@H]1CC[C@@H](NC(=O)OC(C)C)C1 ZINC000235085453 631921646 /nfs/dbraw/zinc/92/16/46/631921646.db2.gz LEHDNIVXSXSDDY-BDAKNGLRSA-N 0 0 217.334 2.405 10 0 BEAERN Cc1nc(C)n(-c2ccc(C=O)c(C)c2)n1 ZINC000050575454 632021670 /nfs/dbraw/zinc/02/16/70/632021670.db2.gz KVJDLYYDYIVVQL-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN CCCCCCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051996909 632039333 /nfs/dbraw/zinc/03/93/33/632039333.db2.gz UPXZFZJDGCLRLF-NEPJUHHUSA-N 0 0 227.348 2.377 10 0 BEAERN CCN(C[C@@H](O)CO)c1cccc2ccccc21 ZINC000126310608 635759693 /nfs/dbraw/zinc/75/96/93/635759693.db2.gz PEVGYURZOOXKMM-CYBMUJFWSA-N 0 0 245.322 2.019 10 0 BEAERN O=C(N1C[C@@H]2CC=CC[C@@H]2C1)N1CCCCC1 ZINC000310556565 632758251 /nfs/dbraw/zinc/75/82/51/632758251.db2.gz ILWXJAHWWNNSJN-BETUJISGSA-N 0 0 234.343 2.490 10 0 BEAERN C[C@H](NC(=O)C(F)F)c1cc(F)ccc1F ZINC000235524536 632774025 /nfs/dbraw/zinc/77/40/25/632774025.db2.gz UEOKYZKQUCJCIK-YFKPBYRVSA-N 0 0 235.180 2.407 10 0 BEAERN C[C@]1(COC(=O)[C@@H]2C[C@@H]2C2CC2)CCCO1 ZINC000177262274 632795676 /nfs/dbraw/zinc/79/56/76/632795676.db2.gz HINRVJSLSYUBLG-NQBHXWOUSA-N 0 0 224.300 2.145 10 0 BEAERN Cc1cc(C)n(-c2cc(F)cc(C=O)c2)n1 ZINC000235824149 632834192 /nfs/dbraw/zinc/83/41/92/632834192.db2.gz PAIWRYJLTITIIT-UHFFFAOYSA-N 0 0 218.231 2.441 10 0 BEAERN Cn1nc(-c2ccc(Cl)c(F)c2)cc1N ZINC000236093544 632877030 /nfs/dbraw/zinc/87/70/30/632877030.db2.gz CPWVHHIKMJARNO-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN Cn1cnc(CN[C@@H]2CCOc3ccccc32)c1 ZINC000311098014 633067465 /nfs/dbraw/zinc/06/74/65/633067465.db2.gz JNFYHAPIVBXPBJ-CYBMUJFWSA-N 0 0 243.310 2.034 10 0 BEAERN O=C1C[C@H](c2ccc(F)cc2C(F)(F)F)CN1 ZINC000167677644 633130311 /nfs/dbraw/zinc/13/03/11/633130311.db2.gz MCXIMJPJVPEKDH-LURJTMIESA-N 0 0 247.191 2.448 10 0 BEAERN O=C(CCn1cccn1)OCc1ccccc1F ZINC000126684347 635948821 /nfs/dbraw/zinc/94/88/21/635948821.db2.gz AEABVJCAIHGSMO-UHFFFAOYSA-N 0 0 248.257 2.156 10 0 BEAERN CC(=O)Nc1ccc(C(=O)OC[C@@H]2C[C@H]2C)cc1 ZINC000049055711 636006962 /nfs/dbraw/zinc/00/69/62/636006962.db2.gz DTDUCQMWYPXEIK-SKDRFNHKSA-N 0 0 247.294 2.458 10 0 BEAERN COCCCCN1CC[C@@H](O)c2ccccc21 ZINC000123543352 636015646 /nfs/dbraw/zinc/01/56/46/636015646.db2.gz AXHHAKKBPARYMX-CQSZACIVSA-N 0 0 235.327 2.357 10 0 BEAERN C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C1CC1 ZINC000049019276 636004533 /nfs/dbraw/zinc/00/45/33/636004533.db2.gz PCZRJFZOGPKUFY-QMMMGPOBSA-N 0 0 248.282 2.133 10 0 BEAERN Cc1nc(Cl)cc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000309859936 633866545 /nfs/dbraw/zinc/86/65/45/633866545.db2.gz MASVRRANDWDQJC-RKDXNWHRSA-N 0 0 241.722 2.154 10 0 BEAERN Cc1nc(Cl)cc(N[C@H]2CCC[C@H](O)C2)n1 ZINC000309859935 633866735 /nfs/dbraw/zinc/86/67/35/633866735.db2.gz MASVRRANDWDQJC-IUCAKERBSA-N 0 0 241.722 2.154 10 0 BEAERN C[C@@H](OC(=O)C(C)(Cl)Cl)[C@@H]1CCOC1 ZINC000180072422 633878949 /nfs/dbraw/zinc/87/89/49/633878949.db2.gz FGGUFUIVCQRIAJ-RNFRBKRXSA-N 0 0 241.114 2.148 10 0 BEAERN COC(=O)COC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000182050789 633933510 /nfs/dbraw/zinc/93/35/10/633933510.db2.gz BLKAMNSJCKKBIL-UWVGGRQHSA-N 0 0 242.315 2.165 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)O[C@@H]2CCc3cccnc32)O1 ZINC000189368061 634180850 /nfs/dbraw/zinc/18/08/50/634180850.db2.gz NEUMZHUTMSLCJU-YUSALJHKSA-N 0 0 247.294 2.180 10 0 BEAERN CCOC[C@H](C)OC(=O)C[C@@H]1C=CCC1 ZINC000190761870 634192999 /nfs/dbraw/zinc/19/29/99/634192999.db2.gz BWARSDXHHLRCHQ-WDEREUQCSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OC1(C2CC2)CC1 ZINC000192240514 634225966 /nfs/dbraw/zinc/22/59/66/634225966.db2.gz NJBJNWYWMGNBOH-KOLCDFICSA-N 0 0 224.300 2.287 10 0 BEAERN CCOCCCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192238186 634226909 /nfs/dbraw/zinc/22/69/09/634226909.db2.gz BXFUJSAAXJSWLU-RYUDHWBXSA-N 0 0 244.331 2.161 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCC(C)(C)CC#N ZINC000192294602 634231603 /nfs/dbraw/zinc/23/16/03/634231603.db2.gz IDKFXCFJTWDIQX-GHMZBOCLSA-N 0 0 239.315 2.285 10 0 BEAERN CCCOCC(=O)OCc1ccc(OC)cc1 ZINC000123716708 634256834 /nfs/dbraw/zinc/25/68/34/634256834.db2.gz GBNPNJCKEHCOHA-UHFFFAOYSA-N 0 0 238.283 2.165 10 0 BEAERN O[C@@]12CCCC[C@H]1CN(c1nccs1)CC2 ZINC000220343185 634267753 /nfs/dbraw/zinc/26/77/53/634267753.db2.gz ZRFNDRVLTMWDPI-CMPLNLGQSA-N 0 0 238.356 2.275 10 0 BEAERN CC[C@H](C)COC(=O)[C@@H]1CC[C@H](C)O1 ZINC000150826539 635187344 /nfs/dbraw/zinc/18/73/44/635187344.db2.gz VNBBRQKMSZYCQS-GUBZILKMSA-N 0 0 200.278 2.143 10 0 BEAERN COC1CC(Nc2cc(C(C)(C)C)ncn2)C1 ZINC000310138580 635197233 /nfs/dbraw/zinc/19/72/33/635197233.db2.gz BQLDIABWLRYLKB-UHFFFAOYSA-N 0 0 235.331 2.363 10 0 BEAERN C[C@H](O)[C@H](C)Nc1nccc2occc21 ZINC000336774450 635287848 /nfs/dbraw/zinc/28/78/48/635287848.db2.gz ZUOKNVSXKNYWDB-YUMQZZPRSA-N 0 0 206.245 2.009 10 0 BEAERN C[C@H](OC(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000079178058 636256435 /nfs/dbraw/zinc/25/64/35/636256435.db2.gz RCVHJGFKPPSVPX-VHSXEESVSA-N 0 0 238.258 2.408 10 0 BEAERN CCC1CCC2(CC1)NC(=O)N(C1CC1)C2=O ZINC000054457495 636711082 /nfs/dbraw/zinc/71/10/82/636711082.db2.gz FIHZPYZQBANMGH-UHFFFAOYSA-N 0 0 236.315 2.040 10 0 BEAERN Cc1nc2ccccc2nc1N[C@@H](C)[C@@H](C)O ZINC000343796651 636776348 /nfs/dbraw/zinc/77/63/48/636776348.db2.gz SZCYEKFOARWTMP-WCBMZHEXSA-N 0 0 231.299 2.119 10 0 BEAERN O=C(N[C@@H]1CC[C@@H](CO)C1)OCc1ccccc1 ZINC000221424854 637033396 /nfs/dbraw/zinc/03/33/96/637033396.db2.gz FDKXYQLCKKQFKQ-CHWSQXEVSA-N 0 0 249.310 2.074 10 0 BEAERN CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000346418463 637111770 /nfs/dbraw/zinc/11/17/70/637111770.db2.gz NMKKUYVGNZDXKQ-QWRGUYRKSA-N 0 0 235.327 2.309 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000346453657 637142739 /nfs/dbraw/zinc/14/27/39/637142739.db2.gz FRWSZDMDMUMEKG-GHMZBOCLSA-N 0 0 243.306 2.339 10 0 BEAERN Cc1nc(C)n(-c2cc(Cl)ccc2C=O)n1 ZINC000163057447 637348610 /nfs/dbraw/zinc/34/86/10/637348610.db2.gz VLYYYYMEWQRUKH-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN CCOCCOc1cccc([C@@H](C)O)c1 ZINC000035627504 639764732 /nfs/dbraw/zinc/76/47/32/639764732.db2.gz GQLDKVNTVMUDIV-SNVBAGLBSA-N 0 0 210.273 2.155 10 0 BEAERN CCCc1c(N)n(C)nc1[C@H](C)C1CC1 ZINC000163623413 640228670 /nfs/dbraw/zinc/22/86/70/640228670.db2.gz IYZJUTGZWSVITB-MRVPVSSYSA-N 0 0 207.321 2.468 10 0 BEAERN CCc1nc(-c2ccc(Cl)c(N)c2)n(C)n1 ZINC000054696978 640306086 /nfs/dbraw/zinc/30/60/86/640306086.db2.gz XROOOWRORSAEBT-UHFFFAOYSA-N 0 0 236.706 2.280 10 0 BEAERN CC(C)(C)[C@@H](O)CNOCc1ccccc1 ZINC000307603981 711485700 /nfs/dbraw/zinc/48/57/00/711485700.db2.gz VATQAXFCLQBGQS-LBPRGKRZSA-N 0 0 223.316 2.115 10 0 BEAERN CSCCC(=O)Nc1n[nH]c2ccccc21 ZINC000055391249 640470058 /nfs/dbraw/zinc/47/00/58/640470058.db2.gz FPEYFTYFWWPBEP-UHFFFAOYSA-N 0 0 235.312 2.255 10 0 BEAERN Cc1nc(CNCC(F)(F)F)sc1C ZINC000045206260 640514549 /nfs/dbraw/zinc/51/45/49/640514549.db2.gz PSGMJTIZRSGRJR-UHFFFAOYSA-N 0 0 224.251 2.412 10 0 BEAERN CCC[C@H]1CN(C(=O)N2CCCCC2)CCO1 ZINC000157101877 640573443 /nfs/dbraw/zinc/57/34/43/640573443.db2.gz QRZJTJBWTPFXNW-LBPRGKRZSA-N 0 0 240.347 2.093 10 0 BEAERN CO[C@H]1CCC[C@@H](OC(=O)c2ccoc2)C1 ZINC000057792917 640637529 /nfs/dbraw/zinc/63/75/29/640637529.db2.gz VIPQDIBEIKLUGF-WDEREUQCSA-N 0 0 224.256 2.394 10 0 BEAERN CCOc1ccc([C@H]2CCC(=O)N2)cc1 ZINC000057938171 640651218 /nfs/dbraw/zinc/65/12/18/640651218.db2.gz WOFSTOHWRKHZEY-LLVKDONJSA-N 0 0 205.257 2.036 10 0 BEAERN CCNCc1noc([C@@H]2CCC[C@@H]2C)n1 ZINC000225427484 640692236 /nfs/dbraw/zinc/69/22/36/640692236.db2.gz ZPLOWDJDHGGJDM-DTWKUNHWSA-N 0 0 209.293 2.083 10 0 BEAERN Cc1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)co1 ZINC000187446631 640712048 /nfs/dbraw/zinc/71/20/48/640712048.db2.gz KWCPBSBHRIKSGB-VHSXEESVSA-N 0 0 224.256 2.170 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)ccc1N ZINC000157840692 640755324 /nfs/dbraw/zinc/75/53/24/640755324.db2.gz JFYAGDYWCJOATC-BXKDBHETSA-N 0 0 234.299 2.083 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000226379551 640757719 /nfs/dbraw/zinc/75/77/19/640757719.db2.gz MWVOXMRZWSUZLD-UFBFGSQYSA-N 0 0 236.290 2.326 10 0 BEAERN C/C=C/C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000059569715 640817106 /nfs/dbraw/zinc/81/71/06/640817106.db2.gz RKOBEDMWTFCCRZ-PORFMDCZSA-N 0 0 249.310 2.457 10 0 BEAERN CC[C@@H](SC)C(=O)O[C@@H](C)C1CCOCC1 ZINC000158272214 640826635 /nfs/dbraw/zinc/82/66/35/640826635.db2.gz POLDTHUQLGOOMC-GXSJLCMTSA-N 0 0 246.372 2.486 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cnc(Cl)cn1 ZINC000227833742 640850333 /nfs/dbraw/zinc/85/03/33/640850333.db2.gz BPGJMMAGTHPWJH-SFYZADRCSA-N 0 0 239.706 2.048 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)NCC2 ZINC000228541274 640880294 /nfs/dbraw/zinc/88/02/94/640880294.db2.gz XDDWWLPZLYPCNF-SNVBAGLBSA-N 0 0 232.327 2.429 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc2c(c1)NCC2 ZINC000228541279 640880413 /nfs/dbraw/zinc/88/04/13/640880413.db2.gz XDDWWLPZLYPCNF-JTQLQIEISA-N 0 0 232.327 2.429 10 0 BEAERN CCCCCCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000060908089 640899692 /nfs/dbraw/zinc/89/96/92/640899692.db2.gz JNQRKJSJULZNPN-NEPJUHHUSA-N 0 0 242.363 2.433 10 0 BEAERN CC[C@](C)(O)CN1CC[C@@H](O)c2ccccc21 ZINC000229450974 640957092 /nfs/dbraw/zinc/95/70/92/640957092.db2.gz QPUDYXLZPGJOSX-KGLIPLIRSA-N 0 0 235.327 2.091 10 0 BEAERN C[C@H]1Cc2c(c[nH+]c(N)c2C(=O)[O-])[C@@H](C)C1 ZINC000675064174 640961395 /nfs/dbraw/zinc/96/13/95/640961395.db2.gz WVDSWSMQAIGCMC-RQJHMYQMSA-N 0 0 220.272 2.048 10 0 BEAERN CC1(C)CCN1c1cncc(F)c1C=O ZINC000675063909 640961545 /nfs/dbraw/zinc/96/15/45/640961545.db2.gz SYUKZTMJOKKPAE-UHFFFAOYSA-N 0 0 208.236 2.022 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Oc1cccc(C)c1C ZINC000171180385 640962794 /nfs/dbraw/zinc/96/27/94/640962794.db2.gz XPCXXFARWRSDDE-QWRGUYRKSA-N 0 0 248.278 2.018 10 0 BEAERN CCCCCC[C@@H](C)OC(=O)[C@@H]1CNC(=O)C1 ZINC000171491239 640981702 /nfs/dbraw/zinc/98/17/02/640981702.db2.gz CQGMMQAIWNCYQJ-MNOVXSKESA-N 0 0 241.331 2.025 10 0 BEAERN CCCCCC[C@@H](C)OC(=O)[C@H]1CNC(=O)C1 ZINC000171491234 640982211 /nfs/dbraw/zinc/98/22/11/640982211.db2.gz CQGMMQAIWNCYQJ-GHMZBOCLSA-N 0 0 241.331 2.025 10 0 BEAERN Cc1ncn(-c2ncc(C=O)cc2C)c1C ZINC000087718043 640990547 /nfs/dbraw/zinc/99/05/47/640990547.db2.gz RTVMVSIHQLZBSY-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN CCc1csc(N2CCC[C@H]2CCCO)n1 ZINC000061894995 641006768 /nfs/dbraw/zinc/00/67/68/641006768.db2.gz JKQSPPBRABYHKG-NSHDSACASA-N 0 0 240.372 2.447 10 0 BEAERN Cc1c[nH]nc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000230058129 641013141 /nfs/dbraw/zinc/01/31/41/641013141.db2.gz TYQBRTNXRGNBKQ-VXNVDRBHSA-N 0 0 207.277 2.093 10 0 BEAERN C[C@@H](C(N)=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000062017017 641014115 /nfs/dbraw/zinc/01/41/15/641014115.db2.gz RPZZWJVCZBTIPE-IUCAKERBSA-N 0 0 240.734 2.207 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NOC1CCCC1 ZINC000230168652 641032391 /nfs/dbraw/zinc/03/23/91/641032391.db2.gz CWTGFNHGPHENKT-KOLCDFICSA-N 0 0 211.305 2.413 10 0 BEAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000230173345 641032556 /nfs/dbraw/zinc/03/25/56/641032556.db2.gz SJVHXBUUZSBXMH-DMDPSCGWSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCCCCCCO ZINC000230176566 641035413 /nfs/dbraw/zinc/03/54/13/641035413.db2.gz MBJJMLMMYZIJGL-NEPJUHHUSA-N 0 0 227.348 2.092 10 0 BEAERN O=C(C1CCC1)N1CC[C@H](O)c2ccccc21 ZINC000062552655 641057352 /nfs/dbraw/zinc/05/73/52/641057352.db2.gz CLPQGIAORZRVAL-ZDUSSCGKSA-N 0 0 231.295 2.257 10 0 BEAERN CCCNc1cc(N[C@H]2C[C@@H]2C)ncn1 ZINC000087827523 641060126 /nfs/dbraw/zinc/06/01/26/641060126.db2.gz GCXUXSUJNJOVHU-IUCAKERBSA-N 0 0 206.293 2.119 10 0 BEAERN COC1CC(Nc2ncnc3ccccc32)C1 ZINC000230592372 641068931 /nfs/dbraw/zinc/06/89/31/641068931.db2.gz UZTHJUPDUCBYAF-UHFFFAOYSA-N 0 0 229.283 2.219 10 0 BEAERN COC1CC(Nc2nc3ccccc3o2)C1 ZINC000230592467 641069212 /nfs/dbraw/zinc/06/92/12/641069212.db2.gz OJPFYGYNVLLUCC-UHFFFAOYSA-N 0 0 218.256 2.417 10 0 BEAERN COC1CC(Nc2ncc(Cl)cc2F)C1 ZINC000230601131 641070978 /nfs/dbraw/zinc/07/09/78/641070978.db2.gz LCZQOHWJCLRQNL-UHFFFAOYSA-N 0 0 230.670 2.463 10 0 BEAERN Cc1nccn1-c1c(F)cc(C=O)cc1F ZINC000062708343 641078681 /nfs/dbraw/zinc/07/86/81/641078681.db2.gz WBWTUNNBBMIYOJ-UHFFFAOYSA-N 0 0 222.194 2.271 10 0 BEAERN COC1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC000230658137 641082253 /nfs/dbraw/zinc/08/22/53/641082253.db2.gz ZQBIPKUANJCASL-UHFFFAOYSA-N 0 0 244.294 2.075 10 0 BEAERN Nc1cc(-c2cc(F)c(F)c(F)c2)[nH]n1 ZINC000063007311 641118932 /nfs/dbraw/zinc/11/89/32/641118932.db2.gz VHTYSEWALCWTAV-UHFFFAOYSA-N 0 0 213.162 2.076 10 0 BEAERN COC(=O)[C@H](NCc1ccoc1)c1ccccc1 ZINC000063047482 641122005 /nfs/dbraw/zinc/12/20/05/641122005.db2.gz WNINJMJJKQUWNE-CYBMUJFWSA-N 0 0 245.278 2.284 10 0 BEAERN C#CCOC(=O)c1ccccc1SCC#N ZINC000060710840 641178251 /nfs/dbraw/zinc/17/82/51/641178251.db2.gz MXTRKBQPAHOPPM-UHFFFAOYSA-N 0 0 231.276 2.092 10 0 BEAERN CCCNC(=S)N[C@H]1C[C@H]1CCC ZINC000231648051 641191250 /nfs/dbraw/zinc/19/12/50/641191250.db2.gz LGYLMNPCEJXIJW-BDAKNGLRSA-N 0 0 200.351 2.049 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)OC(C)C)o1 ZINC000231741294 641200449 /nfs/dbraw/zinc/20/04/49/641200449.db2.gz BHPDRPPIOOUCHV-QMMMGPOBSA-N 0 0 212.249 2.179 10 0 BEAERN CCOC(CN[C@H](C)c1ncc(C)o1)OCC ZINC000231785881 641204161 /nfs/dbraw/zinc/20/41/61/641204161.db2.gz SVMZOKSXWGVMFS-SNVBAGLBSA-N 0 0 242.319 2.033 10 0 BEAERN CCCn1cc(NC(=O)N[C@@H](C)C(C)C)cn1 ZINC000174150210 641250937 /nfs/dbraw/zinc/25/09/37/641250937.db2.gz UWCQXLQSKOHMLK-JTQLQIEISA-N 0 0 238.335 2.459 10 0 BEAERN CCc1c(N)n[nH]c1-c1cc(OC)cs1 ZINC000088028636 641253456 /nfs/dbraw/zinc/25/34/56/641253456.db2.gz LVTHURNDNNXCOD-UHFFFAOYSA-N 0 0 223.301 2.291 10 0 BEAERN CC1(C)Cc2cc(-c3cnc(N)cn3)ccc2O1 ZINC000088446182 641353765 /nfs/dbraw/zinc/35/37/65/641353765.db2.gz FJFXVPLNVUUZJN-UHFFFAOYSA-N 0 0 241.294 2.439 10 0 BEAERN C/C=C(/C)c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000350659229 641381906 /nfs/dbraw/zinc/38/19/06/641381906.db2.gz QHQHUIQALDEGHR-CHFYJCTLSA-N 0 0 249.314 2.029 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1[C@@H]1C[C@H]1C ZINC000043375653 641562233 /nfs/dbraw/zinc/56/22/33/641562233.db2.gz YGYDOBNKLYHJNJ-RKDXNWHRSA-N 0 0 207.321 2.324 10 0 BEAERN CCCc1noc([C@@H]2NCCc3ccccc32)n1 ZINC000043594458 641567776 /nfs/dbraw/zinc/56/77/76/641567776.db2.gz QLTLDMHPRASRDB-CYBMUJFWSA-N 0 0 243.310 2.257 10 0 BEAERN CSC[C@@H](C)C(=O)O[C@H](C)C1CCOCC1 ZINC000156068211 641593702 /nfs/dbraw/zinc/59/37/02/641593702.db2.gz FZCSUUDAKUFPNT-NXEZZACHSA-N 0 0 246.372 2.344 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)OCc2ccccc2)O1 ZINC000156196875 641597981 /nfs/dbraw/zinc/59/79/81/641597981.db2.gz IASCNVXDJWCXHI-YPMHNXCESA-N 0 0 249.310 2.144 10 0 BEAERN CSC(C)(C)CNC(=O)N[C@@H](C)C(C)C ZINC000174746739 641674906 /nfs/dbraw/zinc/67/49/06/641674906.db2.gz UJKXQHKDPMIUEV-VIFPVBQESA-N 0 0 232.393 2.472 10 0 BEAERN COC[C@@H](N)c1nc(C2CCC(C)CC2)no1 ZINC000159339965 641676407 /nfs/dbraw/zinc/67/64/07/641676407.db2.gz XODZZHVUADOAHL-UDNWOFFPSA-N 0 0 239.319 2.010 10 0 BEAERN Cc1ccc(-c2nn(C)cc2CO)c(C)c1 ZINC000031885725 641692823 /nfs/dbraw/zinc/69/28/23/641692823.db2.gz GWRFTWZBZQVAER-UHFFFAOYSA-N 0 0 216.284 2.196 10 0 BEAERN COC[C@H](C)C(=O)OCCSC(F)(F)F ZINC000187564085 641707200 /nfs/dbraw/zinc/70/72/00/641707200.db2.gz PITLGEJGXAOEQS-LURJTMIESA-N 0 0 246.250 2.065 10 0 BEAERN COc1ccc(C(=O)OC2CCC2)cc1 ZINC000032176202 641759526 /nfs/dbraw/zinc/75/95/26/641759526.db2.gz ZGKSQEWTOCGXMB-UHFFFAOYSA-N 0 0 206.241 2.405 10 0 BEAERN CC(=O)c1cccc([C@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000075808731 641770596 /nfs/dbraw/zinc/77/05/96/641770596.db2.gz RCCHIUHCWPYMNY-OLZOCXBDSA-N 0 0 247.294 2.157 10 0 BEAERN CCCCSCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324466967 641876221 /nfs/dbraw/zinc/87/62/21/641876221.db2.gz ZRXUHAISEADTHT-SNVBAGLBSA-N 0 0 247.404 2.043 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H](C)C1CC1 ZINC000190745800 641883031 /nfs/dbraw/zinc/88/30/31/641883031.db2.gz TXRWOKUQMQQAFB-DTWKUNHWSA-N 0 0 200.278 2.001 10 0 BEAERN C/C=C(\CC)C(=O)O[C@@H](C)COCC ZINC000190768760 641885045 /nfs/dbraw/zinc/88/50/45/641885045.db2.gz AIULDMMKUUYSGG-UMYFRRCYSA-N 0 0 200.278 2.311 10 0 BEAERN CCOC[C@H](C)OC(=O)C(C1CC1)C1CC1 ZINC000190757440 641885801 /nfs/dbraw/zinc/88/58/01/641885801.db2.gz FZOMPGRZSJQRJD-VIFPVBQESA-N 0 0 226.316 2.391 10 0 BEAERN CC[C@H](C)COC(=O)[C@H]1CCCO[C@@H]1C ZINC000192106393 641963579 /nfs/dbraw/zinc/96/35/79/641963579.db2.gz SWDJHIVDWFCZRB-AXFHLTTASA-N 0 0 214.305 2.391 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCCC(F)(F)F ZINC000192105994 641962153 /nfs/dbraw/zinc/96/21/53/641962153.db2.gz CIBCCDQAVOOJMP-JGVFFNPUSA-N 0 0 240.221 2.297 10 0 BEAERN CC(C)COC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192105269 641962367 /nfs/dbraw/zinc/96/23/67/641962367.db2.gz UCTSSJSSVCRFPM-NXEZZACHSA-N 0 0 200.278 2.001 10 0 BEAERN COC[C@H](C)C(=O)O[C@H](C)CC(C)C ZINC000154137668 641967546 /nfs/dbraw/zinc/96/75/46/641967546.db2.gz GNQKADGNZUMTAE-VHSXEESVSA-N 0 0 202.294 2.247 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)O1 ZINC000154246369 641990522 /nfs/dbraw/zinc/99/05/22/641990522.db2.gz FAELYEGDUJKNGE-BBBLOLIVSA-N 0 0 225.288 2.035 10 0 BEAERN COC(CC(=O)c1ccc(C)cc1)OC ZINC000038867052 642443814 /nfs/dbraw/zinc/44/38/14/642443814.db2.gz KKZMJTSLGZDMMA-UHFFFAOYSA-N 0 0 208.257 2.187 10 0 BEAERN Cc1cc(C)c(C(=O)O[C@@H](C)[C@@H]2CCOC2)o1 ZINC000175268576 642666504 /nfs/dbraw/zinc/66/65/04/642666504.db2.gz QMKOLARMXRKTMA-WDEREUQCSA-N 0 0 238.283 2.478 10 0 BEAERN COC(=O)CCSCc1occc1C ZINC000238344713 642802981 /nfs/dbraw/zinc/80/29/81/642802981.db2.gz NUGTUWNFZUQDHQ-UHFFFAOYSA-N 0 0 214.286 2.384 10 0 BEAERN CON(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000180842703 642819360 /nfs/dbraw/zinc/81/93/60/642819360.db2.gz DMBIPWBYGCIFHT-WCQYABFASA-N 0 0 249.310 2.144 10 0 BEAERN Cc1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)cc1F ZINC000075958883 642878706 /nfs/dbraw/zinc/87/87/06/642878706.db2.gz TULSPBVADROEHY-JOYOIKCWSA-N 0 0 236.290 2.342 10 0 BEAERN c1csc(CN[C@H]2COc3ccccc32)n1 ZINC000069606621 642882422 /nfs/dbraw/zinc/88/24/22/642882422.db2.gz SMAPNEKITWBUEE-JTQLQIEISA-N 0 0 232.308 2.366 10 0 BEAERN c1ccc2c(c1)OC[C@@H]2Nc1cccnn1 ZINC000070069062 642967225 /nfs/dbraw/zinc/96/72/25/642967225.db2.gz ALBZJVLMZJHJHL-JTQLQIEISA-N 0 0 213.240 2.022 10 0 BEAERN COCCCSC[C@@H](O)c1ccccc1 ZINC000070167364 642986357 /nfs/dbraw/zinc/98/63/57/642986357.db2.gz DZACKOYEZOAQRB-GFCCVEGCSA-N 0 0 226.341 2.490 10 0 BEAERN Cc1nonc1COc1cccc([C@H](C)O)c1 ZINC000070262049 643007823 /nfs/dbraw/zinc/00/78/23/643007823.db2.gz JFPAOAJDZVNNNV-VIFPVBQESA-N 0 0 234.255 2.010 10 0 BEAERN CC(C)CSc1ccc(-n2cccn2)nn1 ZINC000070635242 643052303 /nfs/dbraw/zinc/05/23/03/643052303.db2.gz HCMPIBSBZLJSBV-UHFFFAOYSA-N 0 0 234.328 2.410 10 0 BEAERN C[C@H](OC(=O)Cc1cccs1)[C@H]1CCOC1 ZINC000175256675 643070715 /nfs/dbraw/zinc/07/07/15/643070715.db2.gz LIDMTETVQPWBSE-UWVGGRQHSA-N 0 0 240.324 2.259 10 0 BEAERN CO[C@@H](C)CCC(=O)O[C@H](C)C1CCOCC1 ZINC000183327763 643107324 /nfs/dbraw/zinc/10/73/24/643107324.db2.gz ARKLGZHFAJRRBN-WDEREUQCSA-N 0 0 244.331 2.160 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCC2(C#N)CCCC2)O1 ZINC000183875379 643175118 /nfs/dbraw/zinc/17/51/18/643175118.db2.gz QLKYAWHETZHKCG-MNOVXSKESA-N 0 0 237.299 2.181 10 0 BEAERN CC[C@H](C)c1sc(N)nc1C(=O)OC ZINC000234007382 643177352 /nfs/dbraw/zinc/17/73/52/643177352.db2.gz GPVUPUMEXUNEBC-YFKPBYRVSA-N 0 0 214.290 2.025 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000227514713 643227077 /nfs/dbraw/zinc/22/70/77/643227077.db2.gz GJTHEBXZSZBFKM-WDCWCFNPSA-N 0 0 212.289 2.143 10 0 BEAERN CC(=O)c1[nH]c2ccccc2c1CC(=O)N(C)C ZINC000072240675 643229197 /nfs/dbraw/zinc/22/91/97/643229197.db2.gz PASXURDORNHILI-UHFFFAOYSA-N 0 0 244.294 2.001 10 0 BEAERN Cc1ccnc(-n2ncc3ncccc32)c1 ZINC000757122710 643238354 /nfs/dbraw/zinc/23/83/54/643238354.db2.gz UTHFNLIQWLFVLE-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN Cc1cc(-c2cn(C)nc2C(C)C)ncc1N ZINC000306043421 643285457 /nfs/dbraw/zinc/28/54/57/643285457.db2.gz ZFUVBITYAOOPQJ-UHFFFAOYSA-N 0 0 230.315 2.496 10 0 BEAERN C[C@H]1CCN[C@@H](c2nc(CC3CCC3)no2)C1 ZINC000306079873 643290210 /nfs/dbraw/zinc/29/02/10/643290210.db2.gz CDRDAVHIFPIYDK-GXSJLCMTSA-N 0 0 235.331 2.473 10 0 BEAERN C#CCCCCCOC(=O)[C@H]1CC[C@@H](C)O1 ZINC000185332800 643295886 /nfs/dbraw/zinc/29/58/86/643295886.db2.gz UOCSPHAPSXKKLL-VXGBXAGGSA-N 0 0 224.300 2.291 10 0 BEAERN CC(C)[C@@H](C)NC(=O)OCC(F)(F)F ZINC000082375586 643306239 /nfs/dbraw/zinc/30/62/39/643306239.db2.gz ZFVPSQOQPVSGCN-ZCFIWIBFSA-N 0 0 213.199 2.319 10 0 BEAERN CCOC(=O)[C@]1(F)CCC[C@H](CC)C1=O ZINC000757183935 643358688 /nfs/dbraw/zinc/35/86/88/643358688.db2.gz TYVCELXBPJSRLJ-KWQFWETISA-N 0 0 216.252 2.037 10 0 BEAERN CC(=O)[C@H]1CCCN(c2cc(C)ccn2)C1 ZINC000082644955 643361510 /nfs/dbraw/zinc/36/15/10/643361510.db2.gz KJPLMTZANNOJMK-LBPRGKRZSA-N 0 0 218.300 2.195 10 0 BEAERN CC(C)NCc1nc(CC(C)(C)C)no1 ZINC000082673345 643365572 /nfs/dbraw/zinc/36/55/72/643365572.db2.gz ZSNZKCRRBHPGLI-UHFFFAOYSA-N 0 0 211.309 2.156 10 0 BEAERN Cc1cccc(C)c1[C@H]1C[N@H+](C)C[C@H]1C(=O)[O-] ZINC000757192398 643364942 /nfs/dbraw/zinc/36/49/42/643364942.db2.gz OFUAAVGNPKKJNG-NWDGAFQWSA-N 0 0 233.311 2.033 10 0 BEAERN CSCC[C@H](N)c1nc(CC(C)(C)C)no1 ZINC000082673336 643365608 /nfs/dbraw/zinc/36/56/08/643365608.db2.gz OOKAEMUVOPMOSO-QMMMGPOBSA-N 0 0 243.376 2.411 10 0 BEAERN CC[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000082847982 643386238 /nfs/dbraw/zinc/38/62/38/643386238.db2.gz BXZFWMRQEILTQS-GHMZBOCLSA-N 0 0 221.304 2.410 10 0 BEAERN Cc1cc(N)nn1CCc1ccccc1 ZINC000300744586 643388886 /nfs/dbraw/zinc/38/88/86/643388886.db2.gz MNGNVJNZMMDTIR-UHFFFAOYSA-N 0 0 201.273 2.016 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1cnc(Cl)s1 ZINC000307210190 643422661 /nfs/dbraw/zinc/42/26/61/643422661.db2.gz MAWRGUBGAOIUGJ-YUMQZZPRSA-N 0 0 246.763 2.142 10 0 BEAERN C[C@H]1C[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC000068949451 643437658 /nfs/dbraw/zinc/43/76/58/643437658.db2.gz QNYODWOTCZZRDB-GIPNMCIBSA-N 0 0 225.332 2.123 10 0 BEAERN C[C@H]1CCn2nc(C(F)(F)F)cc2N1 ZINC000235642597 643449795 /nfs/dbraw/zinc/44/97/95/643449795.db2.gz CQYVUHMJIALFNW-YFKPBYRVSA-N 0 0 205.183 2.106 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)NC1CCCCC1 ZINC000234087496 643470148 /nfs/dbraw/zinc/47/01/48/643470148.db2.gz RFUKUZQJFNRZBQ-NWDGAFQWSA-N 0 0 225.332 2.250 10 0 BEAERN Cc1cccc(C)c1-c1cc(N)n(C)n1 ZINC000235824718 643507337 /nfs/dbraw/zinc/50/73/37/643507337.db2.gz FYGLOGXEPJWXFH-UHFFFAOYSA-N 0 0 201.273 2.286 10 0 BEAERN CCc1nccn1-c1cccc(F)c1C=O ZINC000234153286 643533018 /nfs/dbraw/zinc/53/30/18/643533018.db2.gz MZTYNHODHVVPMW-UHFFFAOYSA-N 0 0 218.231 2.386 10 0 BEAERN CC1(C)CCC[C@]2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000083436883 643534316 /nfs/dbraw/zinc/53/43/16/643534316.db2.gz UWAQVMKAFJQYQY-GXFFZTMASA-N 0 0 225.332 2.267 10 0 BEAERN Cc1cnn2c1NC[C@H](c1ccccc1)C2 ZINC000235970771 643556578 /nfs/dbraw/zinc/55/65/78/643556578.db2.gz DOEASWPTXZUKGC-LBPRGKRZSA-N 0 0 213.284 2.401 10 0 BEAERN CCN(Cc1ccccc1)c1cc(C)[nH+]c(N)n1 ZINC000045723690 643560296 /nfs/dbraw/zinc/56/02/96/643560296.db2.gz UWIGXVCVQLOZTJ-UHFFFAOYSA-N 0 0 242.326 2.394 10 0 BEAERN Cc1c2ccccc2oc1C(=O)N[C@H](C)[C@H](C)O ZINC000346431201 643567390 /nfs/dbraw/zinc/56/73/90/643567390.db2.gz SLFOISDOYXYVCB-ZJUUUORDSA-N 0 0 247.294 2.240 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)Nc1ccccc1Cl ZINC000348149918 643586407 /nfs/dbraw/zinc/58/64/07/643586407.db2.gz BNCVATYMLKMMDG-HTQZYQBOSA-N 0 0 242.706 2.231 10 0 BEAERN C[C@@H](CO)CSC[C@@H](O)c1ccccc1 ZINC000085138508 643603467 /nfs/dbraw/zinc/60/34/67/643603467.db2.gz VLTZWQKPTWXEPV-CMPLNLGQSA-N 0 0 226.341 2.082 10 0 BEAERN Cc1ccc(C(=O)NCC2CC2)c(Cl)n1 ZINC000056404166 643686087 /nfs/dbraw/zinc/68/60/87/643686087.db2.gz FANDDJWIWUVIED-UHFFFAOYSA-N 0 0 224.691 2.183 10 0 BEAERN O=Cc1ccc(-n2nnc3ccccc32)s1 ZINC000160576619 643688936 /nfs/dbraw/zinc/68/89/36/643688936.db2.gz OGGVMYFIQAEWRF-UHFFFAOYSA-N 0 0 229.264 2.295 10 0 BEAERN CSc1ccccc1-c1cc(N)n[nH]1 ZINC000086096831 643904323 /nfs/dbraw/zinc/90/43/23/643904323.db2.gz GRLKXMCEPFCYJK-UHFFFAOYSA-N 0 0 205.286 2.381 10 0 BEAERN CCOCCCCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192238172 644139747 /nfs/dbraw/zinc/13/97/47/644139747.db2.gz BXFUJSAAXJSWLU-VXGBXAGGSA-N 0 0 244.331 2.161 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OC1(C)CCC1 ZINC000192245536 644141374 /nfs/dbraw/zinc/14/13/74/644141374.db2.gz QVWSDSXSTBNEJM-ZJUUUORDSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCC1(C#N)CCC1 ZINC000192297768 644142059 /nfs/dbraw/zinc/14/20/59/644142059.db2.gz XMDVGDLLOGGHEB-GHMZBOCLSA-N 0 0 237.299 2.039 10 0 BEAERN Cc1ncc(C(=O)O[C@@H](C)[C@H]2CCOC2)s1 ZINC000079175247 644159687 /nfs/dbraw/zinc/15/96/87/644159687.db2.gz DTBHVHWLYXXCDD-CBAPKCEASA-N 0 0 241.312 2.033 10 0 BEAERN COCc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000192578790 644166941 /nfs/dbraw/zinc/16/69/41/644166941.db2.gz XLGWFBOUDGGVNS-CABZTGNLSA-N 0 0 234.299 2.363 10 0 BEAERN COC(=O)[C@@H](C)[C@H]1CCCc2cccnc21 ZINC000086734499 644170556 /nfs/dbraw/zinc/17/05/56/644170556.db2.gz NZCZYRWHIBNDIG-GXSJLCMTSA-N 0 0 219.284 2.311 10 0 BEAERN O=C([O-])[C@H]1CCC[C@H](c2cccs2)[NH2+]1 ZINC000074148760 644271039 /nfs/dbraw/zinc/27/10/39/644271039.db2.gz SXTZUMYWXCTLPU-HTQZYQBOSA-N 0 0 211.286 2.016 10 0 BEAERN CO[C@@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000194564964 644329858 /nfs/dbraw/zinc/32/98/58/644329858.db2.gz WKVUNPLOWKCHIK-SFYZADRCSA-N 0 0 214.286 2.387 10 0 BEAERN C[C@H]1C[NH2+]CC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000082366467 644374854 /nfs/dbraw/zinc/37/48/54/644374854.db2.gz MIFQXXWACZQKDR-CABZTGNLSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@H]1C[NH2+]CC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000082366469 644375580 /nfs/dbraw/zinc/37/55/80/644375580.db2.gz MIFQXXWACZQKDR-JOYOIKCWSA-N 0 0 219.284 2.098 10 0 BEAERN CC[C@@H](C)C[C@@H](C)NC(=O)n1ccnc1 ZINC000083865580 644412251 /nfs/dbraw/zinc/41/22/51/644412251.db2.gz RJGCRERQOGWXJV-NXEZZACHSA-N 0 0 209.293 2.266 10 0 BEAERN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000087414762 644493801 /nfs/dbraw/zinc/49/38/01/644493801.db2.gz RVSJQJIERJPYPK-SSDOTTSWSA-N 0 0 225.313 2.334 10 0 BEAERN Cc1n[nH]c(C)c1CCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000089282501 644541192 /nfs/dbraw/zinc/54/11/92/644541192.db2.gz MQIIEDSCEQEIHE-STQMWFEESA-N 0 0 248.326 2.158 10 0 BEAERN C[C@H](OC(=O)C[C@@H]1C=CCC1)[C@@H]1CCOC1 ZINC000246449397 644589186 /nfs/dbraw/zinc/58/91/86/644589186.db2.gz FGOPQSKUTSGQHN-QJPTWQEYSA-N 0 0 224.300 2.311 10 0 BEAERN CCC[C@H](C)OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000248296657 644675697 /nfs/dbraw/zinc/67/56/97/644675697.db2.gz YZZIZQZULFHWEW-IVZWLZJFSA-N 0 0 200.278 2.286 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCC[C@H]2CCCO2)O1 ZINC000248500107 644684630 /nfs/dbraw/zinc/68/46/30/644684630.db2.gz NDLDHJRICDMKHP-UTUOFQBUSA-N 0 0 242.315 2.056 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)O[C@@H]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000248520820 644687020 /nfs/dbraw/zinc/68/70/20/644687020.db2.gz RDLNILGWXFPQFT-ZIQFBCGOSA-N 0 0 242.315 2.053 10 0 BEAERN CCNCc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000250166966 644748392 /nfs/dbraw/zinc/74/83/92/644748392.db2.gz HSXCOXPEDKIINU-JZYVYDRUSA-N 0 0 221.304 2.083 10 0 BEAERN CC(C)[C@@H]([NH3+])c1cc(F)c([O-])c(F)c1 ZINC000095671648 644763582 /nfs/dbraw/zinc/76/35/82/644763582.db2.gz AEPONQWUNRTVOK-SECBINFHSA-N 0 0 201.216 2.326 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C1CCC1 ZINC000252593518 644868942 /nfs/dbraw/zinc/86/89/42/644868942.db2.gz ZVKAUYMEPLKUFO-KKZNHRDASA-N 0 0 212.289 2.286 10 0 BEAERN CON(CC(C)(C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000304345381 644895823 /nfs/dbraw/zinc/89/58/23/644895823.db2.gz PKFNKIWFPDZHHC-JGPRNRPPSA-N 0 0 225.332 2.469 10 0 BEAERN NCc1nc(C(C2CCC2)C2CCC2)no1 ZINC000304395188 644900762 /nfs/dbraw/zinc/90/07/62/644900762.db2.gz AQFLKLRTILCNPT-UHFFFAOYSA-N 0 0 221.304 2.212 10 0 BEAERN C[C@@H](NC(=O)OC1CCCC1)[C@@H]1CCCO1 ZINC000304613042 644922387 /nfs/dbraw/zinc/92/23/87/644922387.db2.gz RYVAGQDKXBMCET-KOLCDFICSA-N 0 0 227.304 2.223 10 0 BEAERN CCCCOC(=O)c1cnn2c1CCCC2 ZINC000125634234 645782139 /nfs/dbraw/zinc/78/21/39/645782139.db2.gz IJRFPBAVLWQKMR-UHFFFAOYSA-N 0 0 222.288 2.176 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c3ccccc32)O1 ZINC000127785466 645828868 /nfs/dbraw/zinc/82/88/68/645828868.db2.gz SPRUGFUWDYJUSO-LDYMZIIASA-N 0 0 245.282 2.069 10 0 BEAERN COCCONC(=O)c1cccc2ccccc21 ZINC000135132986 645877418 /nfs/dbraw/zinc/87/74/18/645877418.db2.gz JZWCMGOQXZMRII-UHFFFAOYSA-N 0 0 245.278 2.148 10 0 BEAERN Cc1ccc([C@H](C)NC(=S)NC2CC2)o1 ZINC000135793663 711661600 /nfs/dbraw/zinc/66/16/00/711661600.db2.gz RHAIVPLZTSSZMY-QMMMGPOBSA-N 0 0 224.329 2.276 10 0 BEAERN CCNC(=S)N(C)[C@H]1CCC[C@H](C)C1 ZINC000135955252 711670503 /nfs/dbraw/zinc/67/05/03/711670503.db2.gz CNUQQQVZPRUHAI-UWVGGRQHSA-N 0 0 214.378 2.391 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721774953 711769014 /nfs/dbraw/zinc/76/90/14/711769014.db2.gz BEBMSVQLYHNFFC-UTUOFQBUSA-N 0 0 239.359 2.042 10 0 BEAERN CC(C)(C#N)COC(=O)[C@H]1C[C@H]1C1CC1 ZINC000180163576 711886933 /nfs/dbraw/zinc/88/69/33/711886933.db2.gz DMAANDMXKWNAQW-UWVGGRQHSA-N 0 0 207.273 2.125 10 0 BEAERN CC1(C)C[C@@]1(C)NC(=O)c1ccc(F)cc1N ZINC000702018268 712036360 /nfs/dbraw/zinc/03/63/60/712036360.db2.gz VBAUIORTIDCYBB-CYBMUJFWSA-N 0 0 236.290 2.326 10 0 BEAERN O=C(c1ccnc(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000706886992 712159077 /nfs/dbraw/zinc/15/90/77/712159077.db2.gz YQACUKUGCKHZRO-VHSXEESVSA-N 0 0 236.702 2.360 10 0 BEAERN CC(C)OC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000709853969 712230026 /nfs/dbraw/zinc/23/00/26/712230026.db2.gz BAZXJLVAWCRGQA-ZJUUUORDSA-N 0 0 215.293 2.031 10 0 BEAERN CC(C)NC(=S)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000724467690 710741532 /nfs/dbraw/zinc/74/15/32/710741532.db2.gz VUCDSBXNGCQAMQ-NXEZZACHSA-N 0 0 244.404 2.063 10 0 BEAERN CC1(C)C[C@H]1c1noc([C@H](N)CC(F)F)n1 ZINC000380583995 712901564 /nfs/dbraw/zinc/90/15/64/712901564.db2.gz QOTHROXVPOIPDS-NTSWFWBYSA-N 0 0 231.246 2.238 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000722043530 712902246 /nfs/dbraw/zinc/90/22/46/712902246.db2.gz GQVAASFQTSVNOA-QWHCGFSZSA-N 0 0 235.327 2.170 10 0 BEAERN C[C@H](CCc1ccco1)NC(=O)n1ccnc1 ZINC000049569997 711449396 /nfs/dbraw/zinc/44/93/96/711449396.db2.gz HCIOGSXCQYOHJI-SNVBAGLBSA-N 0 0 233.271 2.055 10 0 BEAERN Cc1nccnc1N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723869182 711540526 /nfs/dbraw/zinc/54/05/26/711540526.db2.gz MATGRHXLZPUOPY-STQMWFEESA-N 0 0 247.342 2.402 10 0 BEAERN Cc1cnc(CN[C@H]2CCn3ccnc32)c(C)c1 ZINC000724049346 711557820 /nfs/dbraw/zinc/55/78/20/711557820.db2.gz RLWWEARLWBKSIO-LBPRGKRZSA-N 0 0 242.326 2.130 10 0 BEAERN Cc1cnc(CN[C@H](C)c2ccnn2C)c(C)c1 ZINC000724059450 711558425 /nfs/dbraw/zinc/55/84/25/711558425.db2.gz XMEYJRXBHRQFNT-GFCCVEGCSA-N 0 0 244.342 2.283 10 0 BEAERN Cc1nn(C)cc1CNCc1ncc(C)cc1C ZINC000724057455 711558485 /nfs/dbraw/zinc/55/84/85/711558485.db2.gz QZIKVFWOWHZXKE-UHFFFAOYSA-N 0 0 244.342 2.030 10 0 BEAERN Cc1ncc(CNCc2ncc(C)cc2C)o1 ZINC000724095354 711560400 /nfs/dbraw/zinc/56/04/00/711560400.db2.gz ILBNXSUAHKYVAA-UHFFFAOYSA-N 0 0 231.299 2.285 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1cc(C(F)F)ncn1 ZINC000724646781 711604743 /nfs/dbraw/zinc/60/47/43/711604743.db2.gz HRWZTCFFWPANDW-IONNQARKSA-N 0 0 243.257 2.130 10 0 BEAERN CC[C@@](C)(CCO)Nc1cc(C(F)F)ncn1 ZINC000724653623 711605331 /nfs/dbraw/zinc/60/53/31/711605331.db2.gz KRPRXEQKYSSPPL-NSHDSACASA-N 0 0 245.273 2.377 10 0 BEAERN CO[C@@H](c1noc([C@@H](N)CC(C)C)n1)C1CC1 ZINC000130209285 711625381 /nfs/dbraw/zinc/62/53/81/711625381.db2.gz MPYFMEDVWXKTEC-VHSXEESVSA-N 0 0 239.319 2.213 10 0 BEAERN Cn1cnc(-c2nc([C@@H]3CCCS3)no2)c1 ZINC000329738811 711645065 /nfs/dbraw/zinc/64/50/65/711645065.db2.gz UNNFTCGNOVOTEZ-QMMMGPOBSA-N 0 0 236.300 2.038 10 0 BEAERN COC[C@H](C)NC(=S)NCCC1CCCC1 ZINC000135916511 711666356 /nfs/dbraw/zinc/66/63/56/711666356.db2.gz UZTZJWCMLQFVFP-JTQLQIEISA-N 0 0 244.404 2.066 10 0 BEAERN C[C@H]1CCC(=O)CN1CC=C(Cl)Cl ZINC000725675895 711669089 /nfs/dbraw/zinc/66/90/89/711669089.db2.gz YWDNRJSLZOWRHP-ZETCQYMHSA-N 0 0 222.115 2.359 10 0 BEAERN Cc1cc2n[nH]cc2cc1N[C@@H](C)CCO ZINC000309775940 711690008 /nfs/dbraw/zinc/69/00/08/711690008.db2.gz PTIAHAZTWVCDFD-VIFPVBQESA-N 0 0 219.288 2.054 10 0 BEAERN CC[C@H](NC(=S)NC1CC1)C(C)C ZINC000136201268 711690394 /nfs/dbraw/zinc/69/03/94/711690394.db2.gz DFZDHTUZEOSREB-VIFPVBQESA-N 0 0 200.351 2.048 10 0 BEAERN Clc1ccc2c(c1)nccc2N[C@H]1CNOC1 ZINC000722487792 711759534 /nfs/dbraw/zinc/75/95/34/711759534.db2.gz XXTWGAZRCIVYEG-VIFPVBQESA-N 0 0 249.701 2.204 10 0 BEAERN Clc1ccc2c(c1)nccc2N[C@@H]1CNOC1 ZINC000722487791 711759699 /nfs/dbraw/zinc/75/96/99/711759699.db2.gz XXTWGAZRCIVYEG-SECBINFHSA-N 0 0 249.701 2.204 10 0 BEAERN CNC(=S)Nc1cccc2c(O)cccc12 ZINC000007519871 711784323 /nfs/dbraw/zinc/78/43/23/711784323.db2.gz PDSOWDNWPGQWLT-UHFFFAOYSA-N 0 0 232.308 2.462 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1scnc1Cl ZINC000721955059 711947676 /nfs/dbraw/zinc/94/76/76/711947676.db2.gz LEZOINYMHLZFOJ-JGVFFNPUSA-N 0 0 246.763 2.142 10 0 BEAERN CC(C)OC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000700258668 711989021 /nfs/dbraw/zinc/98/90/21/711989021.db2.gz UFWLHFDVGPVDIX-ZDUSSCGKSA-N 0 0 249.310 2.263 10 0 BEAERN Cc1cc(=O)[nH]c(CN[C@@H](C)c2ccsc2)n1 ZINC000700469554 711993917 /nfs/dbraw/zinc/99/39/17/711993917.db2.gz QEKNYASEZWFSGY-VIFPVBQESA-N 0 0 249.339 2.403 10 0 BEAERN CC(C)(C)NC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700644798 712001399 /nfs/dbraw/zinc/00/13/99/712001399.db2.gz FXJQGDDUWDLUAT-GFCCVEGCSA-N 0 0 233.311 2.043 10 0 BEAERN O=C([C@@H]1Cc2ccccc2CO1)N1CCCCC1 ZINC000700647101 712001675 /nfs/dbraw/zinc/00/16/75/712001675.db2.gz WSCVFUZTXLORDH-AWEZNQCLSA-N 0 0 245.322 2.140 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701518313 712025119 /nfs/dbraw/zinc/02/51/19/712025119.db2.gz RTMROSPCZJTJCB-MDZLAQPJSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)c1nccnc1NCc1ncccn1 ZINC000702330837 712047884 /nfs/dbraw/zinc/04/78/84/712047884.db2.gz QLPOWDCLSDICKZ-UHFFFAOYSA-N 0 0 229.287 2.002 10 0 BEAERN O=C(n1ccnc1)N1CCCC2(CC2)CC1 ZINC000702555356 712055241 /nfs/dbraw/zinc/05/52/41/712055241.db2.gz RSSYNVYWGDBCMA-UHFFFAOYSA-N 0 0 219.288 2.117 10 0 BEAERN O=C(N[C@@H]1CCCC(F)(F)C1)n1ccnc1 ZINC000702565718 712055851 /nfs/dbraw/zinc/05/58/51/712055851.db2.gz NOBPTKQHRADFCY-MRVPVSSYSA-N 0 0 229.230 2.019 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)cc(O)c1 ZINC000705574021 712133212 /nfs/dbraw/zinc/13/32/12/712133212.db2.gz PSPSRFITEYOXMJ-STQMWFEESA-N 0 0 249.310 2.454 10 0 BEAERN Cc1ccc(O)cc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000706749808 712154107 /nfs/dbraw/zinc/15/41/07/712154107.db2.gz KIWFKJCFISFYQU-GWCFXTLKSA-N 0 0 231.295 2.325 10 0 BEAERN O=C(c1csc(Cl)n1)N1C[C@@H]2CCC[C@@H]21 ZINC000706901124 712159674 /nfs/dbraw/zinc/15/96/74/712159674.db2.gz ZVQSHIDZCGGFOD-XPUUQOCRSA-N 0 0 242.731 2.421 10 0 BEAERN O=C(c1csc(Cl)n1)N1C[C@H]2CCC[C@@H]21 ZINC000706901115 712159688 /nfs/dbraw/zinc/15/96/88/712159688.db2.gz ZVQSHIDZCGGFOD-SVRRBLITSA-N 0 0 242.731 2.421 10 0 BEAERN CSC1CC(Nc2ncnc(F)c2C)C1 ZINC000707202714 712166259 /nfs/dbraw/zinc/16/62/59/712166259.db2.gz BGFJHGHRIXGMSF-UHFFFAOYSA-N 0 0 227.308 2.230 10 0 BEAERN CSC1CC(NC(=O)N2CCCCCC2)C1 ZINC000707271703 712167493 /nfs/dbraw/zinc/16/74/93/712167493.db2.gz SJQNBPXSJRADET-UHFFFAOYSA-N 0 0 242.388 2.466 10 0 BEAERN Nc1cnccc1-c1cnc(C2CC2)o1 ZINC000707593911 712175155 /nfs/dbraw/zinc/17/51/55/712175155.db2.gz YMCWDQMRLYQFJC-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN CC/C=C(/C)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707724882 712177293 /nfs/dbraw/zinc/17/72/93/712177293.db2.gz LKOFCODDBOSPFV-GYGFLDJKSA-N 0 0 223.316 2.170 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)C1 ZINC000707772388 712177744 /nfs/dbraw/zinc/17/77/44/712177744.db2.gz GLPYVKCOCFFAHH-DKTYCGPESA-N 0 0 249.354 2.106 10 0 BEAERN CCCCCC(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707809053 712179327 /nfs/dbraw/zinc/17/93/27/712179327.db2.gz VXZZOWDQDFVZTD-GFCCVEGCSA-N 0 0 225.332 2.394 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC000707845721 712179627 /nfs/dbraw/zinc/17/96/27/712179627.db2.gz JNBDLGUOIFHEEI-WPRPVWTQSA-N 0 0 247.285 2.105 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C)C1 ZINC000707841386 712179934 /nfs/dbraw/zinc/17/99/34/712179934.db2.gz WAMZLUVXDJUUQR-CYZMBNFOSA-N 0 0 237.343 2.250 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000707862089 712180648 /nfs/dbraw/zinc/18/06/48/712180648.db2.gz SKZJOXRWHJECKI-NNNHXZLVSA-N 0 0 247.294 2.120 10 0 BEAERN CSC1CC(Nc2ncc(C)cn2)C1 ZINC000708259444 712184709 /nfs/dbraw/zinc/18/47/09/712184709.db2.gz BVESTXBLASUWFQ-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN CSC1CC(Nc2cc(C)cnn2)C1 ZINC000708257142 712184960 /nfs/dbraw/zinc/18/49/60/712184960.db2.gz KESPSHFMSWPLKJ-UHFFFAOYSA-N 0 0 209.318 2.091 10 0 BEAERN CCc1nsc(NC2CC(SC)C2)n1 ZINC000708270217 712184988 /nfs/dbraw/zinc/18/49/88/712184988.db2.gz QSWVSOPCCBBBNE-UHFFFAOYSA-N 0 0 229.374 2.406 10 0 BEAERN CSC1CC(Nc2cn[nH]c(=O)c2Cl)C1 ZINC000708303590 712186510 /nfs/dbraw/zinc/18/65/10/712186510.db2.gz QPABRPBSJXVZKA-UHFFFAOYSA-N 0 0 245.735 2.142 10 0 BEAERN C[C@@H](N[C@@H](C)c1cn(C)cn1)c1cncc(F)c1 ZINC000710065935 712244178 /nfs/dbraw/zinc/24/41/78/712244178.db2.gz DFFMQEUBNFXQPM-ZJUUUORDSA-N 0 0 248.305 2.366 10 0 BEAERN C[C@H](CC1CCC1)NC(=O)n1ccnc1 ZINC000710202690 712248437 /nfs/dbraw/zinc/24/84/37/712248437.db2.gz DYBWQFZUBZVICV-SECBINFHSA-N 0 0 207.277 2.020 10 0 BEAERN CC[C@H](CC(=O)N[C@H](C)[C@@H](C)O)C(C)(C)C ZINC000711141887 712286553 /nfs/dbraw/zinc/28/65/53/712286553.db2.gz LJNSTPLWHBIEOD-GMTAPVOTSA-N 0 0 229.364 2.334 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000711492437 712307249 /nfs/dbraw/zinc/30/72/49/712307249.db2.gz TYVXQVWLFPCNDI-SNVBAGLBSA-N 0 0 227.304 2.223 10 0 BEAERN O=C(N1CCCCC1)N1CCC[C@H](CF)C1 ZINC000711504197 712307538 /nfs/dbraw/zinc/30/75/38/712307538.db2.gz XYVMQDBRQRUEFW-LLVKDONJSA-N 0 0 228.311 2.274 10 0 BEAERN O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1C[C@H]1CO ZINC000378673784 712356725 /nfs/dbraw/zinc/35/67/25/712356725.db2.gz MTKQOSQCLNUIKS-POYBYMJQSA-N 0 0 242.662 2.041 10 0 BEAERN C[C@@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000715438108 712383773 /nfs/dbraw/zinc/38/37/73/712383773.db2.gz COAQOPFGFNPELG-FOUMNBMASA-N 0 0 237.343 2.075 10 0 BEAERN COCC1CC(Nc2ncnc3ccccc32)C1 ZINC000713943028 712474116 /nfs/dbraw/zinc/47/41/16/712474116.db2.gz INJHGUNEBYSBTD-UHFFFAOYSA-N 0 0 243.310 2.467 10 0 BEAERN C[C@@H](N[C@@H](C)c1cccs1)c1cn(C)nn1 ZINC000715887729 712540055 /nfs/dbraw/zinc/54/00/55/712540055.db2.gz CCFPCXRBRNHNSC-BDAKNGLRSA-N 0 0 236.344 2.288 10 0 BEAERN C[C@@H](N[C@@H](C)c1cn(C)nn1)c1cccs1 ZINC000715887731 712540270 /nfs/dbraw/zinc/54/02/70/712540270.db2.gz CCFPCXRBRNHNSC-DTWKUNHWSA-N 0 0 236.344 2.288 10 0 BEAERN O[C@H]1CCC[C@H](Nc2cccc(Cl)n2)C1 ZINC000380005674 712669655 /nfs/dbraw/zinc/66/96/55/712669655.db2.gz PCBMTHUYRHXOGB-IUCAKERBSA-N 0 0 226.707 2.450 10 0 BEAERN Cc1coc(CNCc2ccccn2)c1 ZINC000718032138 712737213 /nfs/dbraw/zinc/73/72/13/712737213.db2.gz USBPHEMFXNXHFM-UHFFFAOYSA-N 0 0 202.257 2.273 10 0 BEAERN O[C@H]1CCC[C@H](Nc2ccnc3ncccc23)C1 ZINC000718986515 712791986 /nfs/dbraw/zinc/79/19/86/712791986.db2.gz NSGNVOGVTGOGLS-QWRGUYRKSA-N 0 0 243.310 2.345 10 0 BEAERN Nc1ncc(-c2nc([C@H]3CC34CC4)no2)s1 ZINC000719950918 712826782 /nfs/dbraw/zinc/82/67/82/712826782.db2.gz IKOMYEKLFMSJHM-RXMQYKEDSA-N 0 0 234.284 2.043 10 0 BEAERN CC1(C)C[C@H]1c1noc(-c2cnc(N)s2)n1 ZINC000719957757 712826793 /nfs/dbraw/zinc/82/67/93/712826793.db2.gz PXIPIBVBHQUVCY-YFKPBYRVSA-N 0 0 236.300 2.289 10 0 BEAERN Cc1cccc(CN[C@@H](C)c2cn(C)nn2)c1F ZINC000720590658 712855899 /nfs/dbraw/zinc/85/58/99/712855899.db2.gz KWDYGUVNMGMIBZ-JTQLQIEISA-N 0 0 248.305 2.113 10 0 BEAERN COCCCOCCOC(=O)/C=C\C(C)(C)C ZINC000588570494 959263519 /nfs/dbraw/zinc/26/35/19/959263519.db2.gz BSOUGNPHIATPIJ-SREVYHEPSA-N 0 0 244.331 2.185 10 0 BEAERN Fc1ccc(NCc2ccncc2)nc1 ZINC000041045345 1165778083 /nfs/dbraw/zinc/77/80/83/1165778083.db2.gz PZKFLIJPQQHTKD-UHFFFAOYSA-N 0 0 203.220 2.228 10 0 BEAERN OCCCSc1ncnc2ccccc21 ZINC000037485629 1165800562 /nfs/dbraw/zinc/80/05/62/1165800562.db2.gz OUVCOJABAFOUOG-UHFFFAOYSA-N 0 0 220.297 2.104 10 0 BEAERN CCN(C(=O)c1cc(F)ccc1N)C1CC1 ZINC000037080061 1165879933 /nfs/dbraw/zinc/87/99/33/1165879933.db2.gz KOJFGSKZOMZXBE-UHFFFAOYSA-N 0 0 222.263 2.032 10 0 BEAERN CNc1ccc(C(=O)N[C@@H]2CCC(C)(C)C2)nc1 ZINC000129461829 1166191997 /nfs/dbraw/zinc/19/19/97/1166191997.db2.gz WNNWYLJORORHJC-SNVBAGLBSA-N 0 0 247.342 2.432 10 0 BEAERN CC1=CCC[N@@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC000695157044 976784770 /nfs/dbraw/zinc/78/47/70/976784770.db2.gz ZBQFAUPBYBOJKC-LLVKDONJSA-N 0 0 211.305 2.138 10 0 BEAERN CC[C@@H](C[NH2+][C@@H](C(=O)[O-])C(C)C)CC(F)F ZINC000699720248 976928745 /nfs/dbraw/zinc/92/87/45/976928745.db2.gz GJVWXWJQVWEBFZ-PSASIEDQSA-N 0 0 237.290 2.367 10 0 BEAERN CCC[C@@](C)([NH2+]C[C@@H](COC)C(C)C)C(=O)[O-] ZINC000721885066 978129084 /nfs/dbraw/zinc/12/90/84/978129084.db2.gz XQBJPXWWGQWHQJ-WCQYABFASA-N 0 0 245.363 2.138 10 0 BEAERN CCC(CC)([NH2+]Cc1oc(C)nc1C)C(=O)[O-] ZINC000723635716 978214015 /nfs/dbraw/zinc/21/40/15/978214015.db2.gz YNZZOZUHIGRDAJ-UHFFFAOYSA-N 0 0 240.303 2.024 10 0 BEAERN Nc1ccc(F)cc1C(=O)Nc1cccc(O)c1 ZINC000040495209 1168380786 /nfs/dbraw/zinc/38/07/86/1168380786.db2.gz JBEGVWNNAOKLDQ-UHFFFAOYSA-N 0 0 246.241 2.366 10 0 BEAERN CCC(CC)NC(=O)c1ccc(NC)cn1 ZINC000130039024 1168837336 /nfs/dbraw/zinc/83/73/36/1168837336.db2.gz HVWSIYOIEBBINE-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CC(C)SCC[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000710527946 955028428 /nfs/dbraw/zinc/02/84/28/955028428.db2.gz PRZLKEVGJYZNHC-QWRGUYRKSA-N 0 0 245.388 2.171 10 0 BEAERN CCCCCOC(=O)/C=C\c1ccncn1 ZINC000588443726 958529774 /nfs/dbraw/zinc/52/97/74/958529774.db2.gz ABVLCKXKXXZXEB-WAYWQWQTSA-N 0 0 220.272 2.223 10 0 BEAERN Cc1cccnc1/C=C\C(=O)NCCC1CC1 ZINC000588453393 958575736 /nfs/dbraw/zinc/57/57/36/958575736.db2.gz SUNVQIXIIOFMEM-SREVYHEPSA-N 0 0 230.311 2.320 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OCC1CC1 ZINC000588455253 958580457 /nfs/dbraw/zinc/58/04/57/958580457.db2.gz NHSNIPMYQZUGBA-SREVYHEPSA-N 0 0 217.268 2.356 10 0 BEAERN C[C@H](CNC(=O)c1cc(F)ccc1N)C1CC1 ZINC000124630882 958650585 /nfs/dbraw/zinc/65/05/85/958650585.db2.gz UZUCULRVYIERJZ-MRVPVSSYSA-N 0 0 236.290 2.184 10 0 BEAERN C/C(=C/C(C)(C)C)C(=O)NCC1(C)COC1 ZINC000588498124 958852752 /nfs/dbraw/zinc/85/27/52/958852752.db2.gz MOVZOIATAHJDCC-POHAHGRESA-N 0 0 225.332 2.132 10 0 BEAERN COC(=O)C[C@H](C)OC(=O)/C(C)=C\C(C)(C)C ZINC000588509762 958875147 /nfs/dbraw/zinc/87/51/47/958875147.db2.gz PMRSNSKBENINSK-QROTZFDESA-N 0 0 242.315 2.474 10 0 BEAERN C=CC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000037008123 960649654 /nfs/dbraw/zinc/64/96/54/960649654.db2.gz LCAUFAKWSSWZCS-MRVPVSSYSA-N 0 0 223.247 2.198 10 0 BEAERN Nc1c(F)cccc1C(=O)NCC1CCCC1 ZINC000054207380 963914845 /nfs/dbraw/zinc/91/48/45/963914845.db2.gz DJIRRUAXVAODJP-UHFFFAOYSA-N 0 0 236.290 2.328 10 0 BEAERN CC[C@H](C(=O)[O-])[N@H+](C)CC1(C(C)C)CC1 ZINC000687533012 968879387 /nfs/dbraw/zinc/87/93/87/968879387.db2.gz CRRPJGGCQXMJLQ-SNVBAGLBSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)[C@H]([NH2+]CC1CC2(CCC2)C1)C(=O)[O-] ZINC000691041247 968906029 /nfs/dbraw/zinc/90/60/29/968906029.db2.gz DEYZMNOIYIIIQK-NSHDSACASA-N 0 0 225.332 2.266 10 0 BEAERN CC(C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000694537628 968944550 /nfs/dbraw/zinc/94/45/50/968944550.db2.gz GAGMFTXMUZRSNU-VXGBXAGGSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000697809879 968967253 /nfs/dbraw/zinc/96/72/53/968967253.db2.gz GWHQTWQNRAHVMF-WRWGMCAJSA-N 0 0 225.332 2.121 10 0 BEAERN Cc1coc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000718053330 969097563 /nfs/dbraw/zinc/09/75/63/969097563.db2.gz PWUGNAYRLJPWRR-GFCCVEGCSA-N 0 0 223.272 2.027 10 0 BEAERN Cc1coc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000718084716 969099445 /nfs/dbraw/zinc/09/94/45/969099445.db2.gz BFUMEBKMMCXVLS-PWSUYJOCSA-N 0 0 237.299 2.131 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CCCC1CCC1)C1CC1 ZINC000688392506 976176217 /nfs/dbraw/zinc/17/62/17/976176217.db2.gz QSXQBKDHDFVQPB-NSHDSACASA-N 0 0 211.305 2.020 10 0 BEAERN O=C([O-])c1ccc(CN2CCC[C@@H](F)C2)s1 ZINC000689413008 976252621 /nfs/dbraw/zinc/25/26/21/976252621.db2.gz AGIUFGBNEIJZDU-MRVPVSSYSA-N 0 0 243.303 2.380 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@@H+]1CC(C)(C)C1(C)C ZINC000690229193 976281163 /nfs/dbraw/zinc/28/11/63/976281163.db2.gz VLVMTLWNCJOTEM-TWGQIWQCSA-N 0 0 211.305 2.138 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000690664359 976326643 /nfs/dbraw/zinc/32/66/43/976326643.db2.gz PSGLZQGWRUSETM-RUXDESIVSA-N 0 0 245.322 2.385 10 0 BEAERN CCCC[C@H]([NH2+]C[C@H]1CCOC1(C)C)C(=O)[O-] ZINC000693070188 976587213 /nfs/dbraw/zinc/58/72/13/976587213.db2.gz GCFHLBLJTXWPBQ-MNOVXSKESA-N 0 0 243.347 2.035 10 0 BEAERN CC[C@@](C)([NH2+]CCOCC1CCCC1)C(=O)[O-] ZINC000693074810 976588022 /nfs/dbraw/zinc/58/80/22/976588022.db2.gz IYGISACXEHNNFI-CYBMUJFWSA-N 0 0 243.347 2.036 10 0 BEAERN CC[C@](C)([NH2+]CCOCC1CCCC1)C(=O)[O-] ZINC000693074813 976588590 /nfs/dbraw/zinc/58/85/90/976588590.db2.gz IYGISACXEHNNFI-ZDUSSCGKSA-N 0 0 243.347 2.036 10 0 BEAERN CC[C@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)[O-] ZINC000693346228 976596517 /nfs/dbraw/zinc/59/65/17/976596517.db2.gz LKQPSNOHPBXCQV-VIFPVBQESA-N 0 0 235.274 2.265 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(F)c(F)c1F ZINC000693358183 976601332 /nfs/dbraw/zinc/60/13/32/976601332.db2.gz KLKCUJAHJCJFEA-ZCFIWIBFSA-N 0 0 247.216 2.009 10 0 BEAERN CCCC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(=O)[O-] ZINC000693377241 976609533 /nfs/dbraw/zinc/60/95/33/976609533.db2.gz MJHXBUVFPRSCGR-JXUBOQSCSA-N 0 0 247.285 2.263 10 0 BEAERN CC1=CCC[N@@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC000695157047 976785934 /nfs/dbraw/zinc/78/59/34/976785934.db2.gz ZBQFAUPBYBOJKC-NSHDSACASA-N 0 0 211.305 2.138 10 0 BEAERN O=C([O-])c1ccoc1C[N@@H+]1CCCC2(CC2)C1 ZINC000695118318 976780250 /nfs/dbraw/zinc/78/02/50/976780250.db2.gz GHOCQBRXSYZGAQ-UHFFFAOYSA-N 0 0 235.283 2.354 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000695663727 976800211 /nfs/dbraw/zinc/80/02/11/976800211.db2.gz JEIAEYDKKFYHJP-NSHDSACASA-N 0 0 223.316 2.162 10 0 BEAERN O=C([O-])C1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000698914843 976906411 /nfs/dbraw/zinc/90/64/11/976906411.db2.gz VOXJBMLJPVMHTB-MVKMKZAISA-N 0 0 237.343 2.266 10 0 BEAERN CC[C@H](C[NH2+][C@@H](C(=O)[O-])C(C)C)CC(F)F ZINC000699720255 976928862 /nfs/dbraw/zinc/92/88/62/976928862.db2.gz GJVWXWJQVWEBFZ-WCBMZHEXSA-N 0 0 237.290 2.367 10 0 BEAERN O=C([O-])[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000702667178 977100753 /nfs/dbraw/zinc/10/07/53/977100753.db2.gz YWMOSLPRTZGCGS-ZDUSSCGKSA-N 0 0 245.322 2.171 10 0 BEAERN CCC[C@@](C)([NH2+]Cc1ccnc(C)c1)C(=O)[O-] ZINC000703488118 977166781 /nfs/dbraw/zinc/16/67/81/977166781.db2.gz XYCSCQFIRGYGLH-CYBMUJFWSA-N 0 0 236.315 2.123 10 0 BEAERN C/C(=C/C(=O)[O-])C[N@H+]1CCCC[C@@H](C)C1 ZINC000703658696 977174482 /nfs/dbraw/zinc/17/44/82/977174482.db2.gz LPXYUKGOQLKUPU-PAKSIRSJSA-N 0 0 211.305 2.139 10 0 BEAERN C[C@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000705580005 977284552 /nfs/dbraw/zinc/28/45/52/977284552.db2.gz QCJCHHTZTRHOSP-YFKPBYRVSA-N 0 0 249.644 2.181 10 0 BEAERN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706323502 977312415 /nfs/dbraw/zinc/31/24/15/977312415.db2.gz CLFMPFDAGQQYOI-IUCAKERBSA-N 0 0 235.274 2.217 10 0 BEAERN C[C@@H]1C[N@H+](Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000706732189 977359248 /nfs/dbraw/zinc/35/92/48/977359248.db2.gz KWLCLWPYAHCTMH-ZJUUUORDSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000706732188 977359338 /nfs/dbraw/zinc/35/93/38/977359338.db2.gz KWLCLWPYAHCTMH-VHSXEESVSA-N 0 0 219.284 2.225 10 0 BEAERN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1C ZINC000706736449 977360410 /nfs/dbraw/zinc/36/04/10/977360410.db2.gz XIOHKVIPBDMWII-RKDXNWHRSA-N 0 0 237.274 2.364 10 0 BEAERN Cc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)oc1C(=O)[O-] ZINC000706912048 977367687 /nfs/dbraw/zinc/36/76/87/977367687.db2.gz CYKFINDLRMNMHI-IUCAKERBSA-N 0 0 223.272 2.126 10 0 BEAERN Cc1[nH]c(C[NH2+][C@H](C)C2(C)CC2)cc1C(=O)[O-] ZINC000706941047 977370857 /nfs/dbraw/zinc/37/08/57/977370857.db2.gz HESCSKVFWCCOGS-SECBINFHSA-N 0 0 236.315 2.300 10 0 BEAERN CCCC[C@@H]([NH2+]C1CC(SC)C1)C(=O)[O-] ZINC000707000816 977372493 /nfs/dbraw/zinc/37/24/93/977372493.db2.gz BOZJHJMXJDLXRS-UDNWOFFPSA-N 0 0 231.361 2.113 10 0 BEAERN C/C(=C/C[N@@H+]1CCC12CCCC2)C(=O)[O-] ZINC000707307896 977383138 /nfs/dbraw/zinc/38/31/38/977383138.db2.gz UPRKBYLFAJGSFG-WMZJFQQLSA-N 0 0 209.289 2.036 10 0 BEAERN CC(C)CC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710246498 977497381 /nfs/dbraw/zinc/49/73/81/977497381.db2.gz WESKQKVAUWIHAX-JQWIXIFHSA-N 0 0 213.321 2.075 10 0 BEAERN CC[C@H](C)C[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711663193 977564857 /nfs/dbraw/zinc/56/48/57/977564857.db2.gz KNGVDPQZEPHIJJ-LOWVWBTDSA-N 0 0 225.332 2.362 10 0 BEAERN Cc1c[nH+]ccc1N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711682552 977566207 /nfs/dbraw/zinc/56/62/07/977566207.db2.gz KBKYMSWBQRHBFH-OCCSQVGLSA-N 0 0 246.310 2.224 10 0 BEAERN O=C([O-])[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccccc1 ZINC000711748589 977573525 /nfs/dbraw/zinc/57/35/25/977573525.db2.gz HQQWEQQJQGKAPD-DGCLKSJQSA-N 0 0 231.295 2.368 10 0 BEAERN O=C([O-])[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CC1 ZINC000712456390 977583975 /nfs/dbraw/zinc/58/39/75/977583975.db2.gz WPISKZTULYZTMN-NNYUYHANSA-N 0 0 223.316 2.018 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712662057 977588475 /nfs/dbraw/zinc/58/84/75/977588475.db2.gz WVQPMPNWCGEEEF-MNOVXSKESA-N 0 0 225.332 2.266 10 0 BEAERN C=C/C=C/CC[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000713496492 977640212 /nfs/dbraw/zinc/64/02/12/977640212.db2.gz PZWFNYWSESBYRR-SNAWJCMRSA-N 0 0 234.299 2.243 10 0 BEAERN O=C([O-])[C@@H]1[C@@H](C[NH2+]CCCC2CCC2)C1(F)F ZINC000715305749 977735942 /nfs/dbraw/zinc/73/59/42/977735942.db2.gz XTVVPRUFCSCQAM-ZJUUUORDSA-N 0 0 247.285 2.122 10 0 BEAERN O=C([O-])[C@@H]1[C@@H](C[NH2+]CCCCC2CC2)C1(F)F ZINC000715328377 977743070 /nfs/dbraw/zinc/74/30/70/977743070.db2.gz SWANQUILOORIFX-ZJUUUORDSA-N 0 0 247.285 2.122 10 0 BEAERN CC[C@](C)([NH2+]CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000715439920 977756366 /nfs/dbraw/zinc/75/63/66/977756366.db2.gz LUAOAMPINMIDQL-MDZLAQPJSA-N 0 0 225.332 2.266 10 0 BEAERN O=C([O-])c1ccc(C[NH2+][C@H]2CC23CC3)cc1F ZINC000715624754 977774956 /nfs/dbraw/zinc/77/49/56/977774956.db2.gz GOACGGYHFRYIEZ-NSHDSACASA-N 0 0 235.258 2.166 10 0 BEAERN CC(C)C[C@H]([NH2+][C@H](C)c1ccns1)C(=O)[O-] ZINC000715990922 977802389 /nfs/dbraw/zinc/80/23/89/977802389.db2.gz GUZONZSUESGAJL-BDAKNGLRSA-N 0 0 242.344 2.293 10 0 BEAERN CCCC[C@@H]([NH2+][C@H](C)c1ccns1)C(=O)[O-] ZINC000715976854 977802681 /nfs/dbraw/zinc/80/26/81/977802681.db2.gz UPSQQZCRRHFDHK-RKDXNWHRSA-N 0 0 242.344 2.437 10 0 BEAERN O=C([O-])[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000716521642 977849893 /nfs/dbraw/zinc/84/98/93/977849893.db2.gz WPQPSBKBSLKDNI-YNEHKIRRSA-N 0 0 231.295 2.200 10 0 BEAERN Cc1coc(C[N@@H+](CCC(=O)[O-])C(C)C)c1 ZINC000718052622 977935699 /nfs/dbraw/zinc/93/56/99/977935699.db2.gz MHDLBEQHAUHXFN-UHFFFAOYSA-N 0 0 225.288 2.273 10 0 BEAERN Cc1coc(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000722621454 978152732 /nfs/dbraw/zinc/15/27/32/978152732.db2.gz PXCGHSQPBFJCKZ-GHMZBOCLSA-N 0 0 237.299 2.131 10 0 BEAERN CC[C@H](C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693331 978164034 /nfs/dbraw/zinc/16/40/34/978164034.db2.gz NOLQVVXGGUSFPH-IRCOFANPSA-N 0 0 227.348 2.464 10 0 BEAERN O=C([O-])C1(C[NH+]2CCC(F)(C3CC3)CC2)CC1 ZINC000724683089 978234694 /nfs/dbraw/zinc/23/46/94/978234694.db2.gz GBJXLKNROOUIDJ-UHFFFAOYSA-N 0 0 241.306 2.065 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000127229192 983965475 /nfs/dbraw/zinc/96/54/75/983965475.db2.gz PVRNVZQQIIVQJB-SRVKXCTJSA-N 0 0 244.331 2.158 10 0 BEAERN C=CC(=O)N[C@H](C)c1ccccc1OC ZINC000036334408 1170910766 /nfs/dbraw/zinc/91/07/66/1170910766.db2.gz PVNMEYOQUZDFAU-SECBINFHSA-N 0 0 205.257 2.058 10 0 BEAERN CN(CC1CC1)C(=O)c1cc(Cl)ccc1N ZINC000037924790 1170993970 /nfs/dbraw/zinc/99/39/70/1170993970.db2.gz JLTBAORMLWUDAV-UHFFFAOYSA-N 0 0 238.718 2.404 10 0 BEAERN Nc1ccnc(C(=O)Nc2ccccc2F)c1 ZINC000050699163 1171826850 /nfs/dbraw/zinc/82/68/50/1171826850.db2.gz AYKCFUZGUNQZCV-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN CNc1ncccc1C(=O)Nc1nc(C)cs1 ZINC000050722979 1171835188 /nfs/dbraw/zinc/83/51/88/1171835188.db2.gz FUKSWOJWKZEYEE-UHFFFAOYSA-N 0 0 248.311 2.141 10 0 BEAERN CNc1ncccc1C(=O)Nc1cc(C)ccn1 ZINC000050744864 1171835654 /nfs/dbraw/zinc/83/56/54/1171835654.db2.gz GMJWATCAAOPNBT-UHFFFAOYSA-N 0 0 242.282 2.079 10 0 BEAERN CC(C)NCC(F)(F)COCC1CC1 ZINC000685955850 538901781 /nfs/dbraw/zinc/90/17/81/538901781.db2.gz FONAHPXARWHTEF-UHFFFAOYSA-N 0 0 207.264 2.046 10 0 BEAERN CC[C@H](C)OCC(F)(F)CNC(C)C ZINC000685955843 538901939 /nfs/dbraw/zinc/90/19/39/538901939.db2.gz FEFAWBRBYJJDLV-VIFPVBQESA-N 0 0 209.280 2.435 10 0 BEAERN CC[C@H](C)OCC(F)(F)CNC1CC1 ZINC000685956070 538902079 /nfs/dbraw/zinc/90/20/79/538902079.db2.gz WKJQFNAISYMFIH-QMMMGPOBSA-N 0 0 207.264 2.189 10 0 BEAERN CNCC(F)(F)COCCC1CCC1 ZINC000685956377 538902252 /nfs/dbraw/zinc/90/22/52/538902252.db2.gz CTEKJKPTDNNOSR-UHFFFAOYSA-N 0 0 207.264 2.048 10 0 BEAERN CNCC(F)(F)COCc1ccccc1 ZINC000685956919 538903035 /nfs/dbraw/zinc/90/30/35/538903035.db2.gz MFZMTSBQNSMZRG-UHFFFAOYSA-N 0 0 215.243 2.058 10 0 BEAERN CCC(C)(CC)NC(=O)c1cc(C)nn1C ZINC000112827721 168310205 /nfs/dbraw/zinc/31/02/05/168310205.db2.gz SLLILWMEBPYFHJ-UHFFFAOYSA-N 0 0 223.320 2.037 10 0 BEAERN CCCNCC(F)(F)CO[C@@H](C)CC ZINC000685958266 538905328 /nfs/dbraw/zinc/90/53/28/538905328.db2.gz VWKKDYBDNVGFKC-VIFPVBQESA-N 0 0 209.280 2.436 10 0 BEAERN COC[C@]1(C)[C@@H](C)C(=O)NC12CCCCC2 ZINC000685958458 538905897 /nfs/dbraw/zinc/90/58/97/538905897.db2.gz QEVVZFMJSXKVDU-CMPLNLGQSA-N 0 0 225.332 2.108 10 0 BEAERN O=C1C[C@@H](c2cncs2)C2(CCCCC2)N1 ZINC000685958583 538905958 /nfs/dbraw/zinc/90/59/58/538905958.db2.gz AJNQQTNUSOSPRD-VIFPVBQESA-N 0 0 236.340 2.450 10 0 BEAERN C[C@@]1(C(=O)[O-])CC2(C[C@H]1[NH3+])CCCCC2 ZINC000685958691 538906397 /nfs/dbraw/zinc/90/63/97/538906397.db2.gz DPUDEQITJDPPHD-MWLCHTKSSA-N 0 0 211.305 2.149 10 0 BEAERN CCOC[C@@]1(C)CC(=O)NC12CCCCC2 ZINC000685959598 538906639 /nfs/dbraw/zinc/90/66/39/538906639.db2.gz QDDYPIMJGQYZIZ-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN COCC[C@]1(C)CC(=O)NC12CCCCC2 ZINC000685960025 538907030 /nfs/dbraw/zinc/90/70/30/538907030.db2.gz XPJSIBTXQZQIFQ-GFCCVEGCSA-N 0 0 225.332 2.252 10 0 BEAERN COC(=O)[C@@]1(C)CC2(CC1=O)CCCCC2 ZINC000685960086 538907116 /nfs/dbraw/zinc/90/71/16/538907116.db2.gz YZWMLSHZXOEEBI-LBPRGKRZSA-N 0 0 224.300 2.479 10 0 BEAERN CC[C@@H](OC)[C@@H]1CC(=O)NC12CCCCC2 ZINC000685960023 538907186 /nfs/dbraw/zinc/90/71/86/538907186.db2.gz XOGLGGCGPXXBSU-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN CCC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961782 538908434 /nfs/dbraw/zinc/90/84/34/538908434.db2.gz OEOVKULEEQYUDF-IUCAKERBSA-N 0 0 227.304 2.126 10 0 BEAERN CC(C)C(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961683 538908765 /nfs/dbraw/zinc/90/87/65/538908765.db2.gz NIKXKSBWXRBDIU-NXEZZACHSA-N 0 0 241.331 2.372 10 0 BEAERN CCC[C@@H]1Nc2cc(OC)ccc2C[C@H]1O ZINC000685963038 538909837 /nfs/dbraw/zinc/90/98/37/538909837.db2.gz FHSTVKBUFZIUCS-WCQYABFASA-N 0 0 221.300 2.193 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@@H](C1CCC1)N2 ZINC000685963498 538910227 /nfs/dbraw/zinc/91/02/27/538910227.db2.gz QHHCEFUELVVVOQ-ZIAGYGMSSA-N 0 0 217.312 2.493 10 0 BEAERN Cc1cccc2c1N[C@@H](C1CCC1)[C@H](O)C2 ZINC000685963667 538910367 /nfs/dbraw/zinc/91/03/67/538910367.db2.gz VLBUDJHRNCHKBG-OCCSQVGLSA-N 0 0 217.312 2.493 10 0 BEAERN Fc1ccc(-c2cncc3c[nH]nc32)cn1 ZINC000685952503 538896356 /nfs/dbraw/zinc/89/63/56/538896356.db2.gz NCCCDMMJBIFIJU-UHFFFAOYSA-N 0 0 214.203 2.159 10 0 BEAERN CCOC(C)(C)C(=O)N[C@@H](CC)C(C)C ZINC000636712085 349440072 /nfs/dbraw/zinc/44/00/72/349440072.db2.gz GQHZGBVCOVDAJE-JTQLQIEISA-N 0 0 215.337 2.352 10 0 BEAERN Cc1cccc2c1N[C@@H](C1CC1)[C@@H](O)C2 ZINC000685963890 538910701 /nfs/dbraw/zinc/91/07/01/538910701.db2.gz ZIKKYFFZVONQBO-AAEUAGOBSA-N 0 0 203.285 2.103 10 0 BEAERN CCC[C@@H]1Nc2ccc(C)cc2C[C@@H]1O ZINC000685963831 538910793 /nfs/dbraw/zinc/91/07/93/538910793.db2.gz XWYFDENCGKLMBO-STQMWFEESA-N 0 0 205.301 2.493 10 0 BEAERN CCC[C@@H]1Nc2c(cccc2OC)C[C@@H]1O ZINC000685963912 538910890 /nfs/dbraw/zinc/91/08/90/538910890.db2.gz ZJVPXHSSSNFSSW-QWRGUYRKSA-N 0 0 221.300 2.193 10 0 BEAERN CC[C@@H](C)n1cc2c(n1)[C@H](C)[N-]C(=S)O2 ZINC000685965944 538911040 /nfs/dbraw/zinc/91/10/40/538911040.db2.gz ZWVALEULAZFPCY-RQJHMYQMSA-N 0 0 225.317 2.182 10 0 BEAERN C=C(OCC)c1nc(Cl)nc(OC(C)C)n1 ZINC000685965098 538911629 /nfs/dbraw/zinc/91/16/29/538911629.db2.gz OVQWEELIJVHDOV-UHFFFAOYSA-N 0 0 243.694 2.319 10 0 BEAERN C[C@H]([NH3+])c1nn(C2CCCCC2)cc1[O-] ZINC000685965667 538912476 /nfs/dbraw/zinc/91/24/76/538912476.db2.gz OEHBSTVCKMAIRV-QMMMGPOBSA-N 0 0 209.293 2.114 10 0 BEAERN C[C@@H]([NH3+])c1nn(C2CCCCC2)cc1[O-] ZINC000685965666 538912530 /nfs/dbraw/zinc/91/25/30/538912530.db2.gz OEHBSTVCKMAIRV-MRVPVSSYSA-N 0 0 209.293 2.114 10 0 BEAERN Cc1csc(CNc2nc(C)cc(C)n2)n1 ZINC000037982859 177946169 /nfs/dbraw/zinc/94/61/69/177946169.db2.gz OMDBPWKYZWSUOA-UHFFFAOYSA-N 0 0 234.328 2.470 10 0 BEAERN CCO[C@H](C)S[C@H]1CCCC[C@H]1O ZINC000308150489 346809255 /nfs/dbraw/zinc/80/92/55/346809255.db2.gz GWNOCTHYMOWIMD-AEJSXWLSSA-N 0 0 204.335 2.406 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccon2)C1 ZINC000616612209 349478795 /nfs/dbraw/zinc/47/87/95/349478795.db2.gz XERSYLQHXFSEAQ-SECBINFHSA-N 0 0 238.287 2.399 10 0 BEAERN CCC(CC)(CO)NC(=O)c1cccc(F)c1 ZINC000053070162 168329367 /nfs/dbraw/zinc/32/93/67/168329367.db2.gz AJQYUUITAMGEND-UHFFFAOYSA-N 0 0 239.290 2.107 10 0 BEAERN CCC(CC)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116118127 168335086 /nfs/dbraw/zinc/33/50/86/168335086.db2.gz CHCXAWVBAOQIGC-GFCCVEGCSA-N 0 0 249.358 2.172 10 0 BEAERN Cc1cc(Cl)nc2c1c(C=O)cn2C ZINC000082376623 178073390 /nfs/dbraw/zinc/07/33/90/178073390.db2.gz WBJDKCLAEGAMLR-UHFFFAOYSA-N 0 0 208.648 2.348 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cccc(N)n1 ZINC000616615376 398174374 /nfs/dbraw/zinc/17/43/74/398174374.db2.gz HXIQWLFDKIMGSI-NSHDSACASA-N 0 0 249.314 2.347 10 0 BEAERN O=S(=O)(c1ccccc1)N1CCCC[C@@H]1F ZINC000616615342 398174699 /nfs/dbraw/zinc/17/46/99/398174699.db2.gz NDDFSFVOPWBVAY-LLVKDONJSA-N 0 0 243.303 2.157 10 0 BEAERN Cc1cc(CNc2cccc(F)c2N)on1 ZINC000044988364 178043209 /nfs/dbraw/zinc/04/32/09/178043209.db2.gz DHLVHFMTMKJFCO-UHFFFAOYSA-N 0 0 221.235 2.316 10 0 BEAERN Cc1cc(CNc2cccc(N)c2C)no1 ZINC000062725187 178043752 /nfs/dbraw/zinc/04/37/52/178043752.db2.gz ABDLOYKYGFSNCV-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1csc(NCc2cc(C)no2)n1 ZINC000044995806 178044456 /nfs/dbraw/zinc/04/44/56/178044456.db2.gz AESXGCPPJTXQPP-UHFFFAOYSA-N 0 0 209.274 2.360 10 0 BEAERN Cc1cc(CNc2ccn(C)n2)cc(C)c1O ZINC000037561074 178044968 /nfs/dbraw/zinc/04/49/68/178044968.db2.gz ODSQMMJBLUDZBY-UHFFFAOYSA-N 0 0 231.299 2.355 10 0 BEAERN Cc1cc(CO)ccc1N(C)C[C@@H]1CCCO1 ZINC000050561025 178045583 /nfs/dbraw/zinc/04/55/83/178045583.db2.gz KSSOJQDZGSQWNA-ZDUSSCGKSA-N 0 0 235.327 2.103 10 0 BEAERN Cc1cc(CO)cc(C)c1OC[C@H]1CCOC1 ZINC000049689089 178046100 /nfs/dbraw/zinc/04/61/00/178046100.db2.gz DRTQUPDKESFOJH-LBPRGKRZSA-N 0 0 236.311 2.211 10 0 BEAERN CSCC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000122365167 398177805 /nfs/dbraw/zinc/17/78/05/398177805.db2.gz XTYFTZFXXMGEJO-MRVPVSSYSA-N 0 0 201.335 2.044 10 0 BEAERN CN(Cc1nccs1)C[C@H]1CCC[C@@H](O)C1 ZINC000390155751 398164521 /nfs/dbraw/zinc/16/45/21/398164521.db2.gz WMNNTZXVYJAHBW-WDEREUQCSA-N 0 0 240.372 2.126 10 0 BEAERN Cc1cc(Cl)ccc1N1CC[C@@H](O)C1 ZINC000077304785 178068126 /nfs/dbraw/zinc/06/81/26/178068126.db2.gz UULMDZPVBSKTDQ-SNVBAGLBSA-N 0 0 211.692 2.219 10 0 BEAERN Cc1cc(Cl)nc(N[C@H]2CC[C@H](O)CC2)n1 ZINC000100178353 178071121 /nfs/dbraw/zinc/07/11/21/178071121.db2.gz FSBSJTWYZQYFMY-DTORHVGOSA-N 0 0 241.722 2.154 10 0 BEAERN CC[C@H](C)c1nc2sc(C)nn2c1C=O ZINC000232281350 398166434 /nfs/dbraw/zinc/16/64/34/398166434.db2.gz HVXVPQMITZMBQS-LURJTMIESA-N 0 0 223.301 2.425 10 0 BEAERN Cc1ccc(-c2cn3ncsc3n2)o1 ZINC000232281116 398166496 /nfs/dbraw/zinc/16/64/96/398166496.db2.gz RNCWFSIIDGTIQQ-UHFFFAOYSA-N 0 0 205.242 2.359 10 0 BEAERN Cc1cc(F)ccc1-c1cnnc(=S)[nH]1 ZINC000033877196 178080946 /nfs/dbraw/zinc/08/09/46/178080946.db2.gz RUVNVCNMFIVNFZ-UHFFFAOYSA-N 0 0 221.260 2.275 10 0 BEAERN Cc1cc(F)ccc1C(=O)N[C@H]1CCCOC1 ZINC000135334586 178083341 /nfs/dbraw/zinc/08/33/41/178083341.db2.gz PKANRZITYAHPBU-NSHDSACASA-N 0 0 237.274 2.043 10 0 BEAERN Cc1cnn(Cc2ccc(F)cc2C)c1N ZINC000050577985 178087293 /nfs/dbraw/zinc/08/72/93/178087293.db2.gz AGMDMCRAJSSWGB-UHFFFAOYSA-N 0 0 219.263 2.270 10 0 BEAERN Cc1csc(CN(C)c2cc(C)nc(C)n2)n1 ZINC000301256457 178100845 /nfs/dbraw/zinc/10/08/45/178100845.db2.gz BMEQVLLBBLIKCK-UHFFFAOYSA-N 0 0 248.355 2.495 10 0 BEAERN C[C@H]1C[C@@H](n2cc[nH]c2=S)CS1 ZINC000306780217 398195169 /nfs/dbraw/zinc/19/51/69/398195169.db2.gz PPEMJZZLZYTWEX-NKWVEPMBSA-N 0 0 200.332 2.238 10 0 BEAERN CCC[C@@H](CN[C@H](C)c1ncc(C)o1)OC ZINC000386014323 398195485 /nfs/dbraw/zinc/19/54/85/398195485.db2.gz NGVJGWDMUHWCIV-MNOVXSKESA-N 0 0 226.320 2.449 10 0 BEAERN Cc1cc(N)c(Cl)cc1-n1cccn1 ZINC000082377479 178103602 /nfs/dbraw/zinc/10/36/02/178103602.db2.gz SHDSHQDKPZWQBV-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1oncc1C(=O)Nc1cc(C)c(C)cc1N ZINC000050439004 178104133 /nfs/dbraw/zinc/10/41/33/178104133.db2.gz VUFPAEJGGJSLKN-UHFFFAOYSA-N 0 0 245.282 2.434 10 0 BEAERN Cc1cc(N)ccc1C(=O)NC(C)(C)C ZINC000021004622 178105359 /nfs/dbraw/zinc/10/53/59/178105359.db2.gz LERLVCFXRDGOJJ-UHFFFAOYSA-N 0 0 206.289 2.106 10 0 BEAERN Cc1cc(N)ccc1N1CCCO[C@@H](C)C1 ZINC000061916761 178105714 /nfs/dbraw/zinc/10/57/14/178105714.db2.gz FNNMGZUGFZCQPM-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(N)ccc1C(=O)N1CC[C@H](C)C1 ZINC000044748981 178105880 /nfs/dbraw/zinc/10/58/80/178105880.db2.gz REFYZNVZVUSODM-VIFPVBQESA-N 0 0 218.300 2.059 10 0 BEAERN Cc1cc(N)ccc1N[C@@H]1CCCC[C@H]1O ZINC000051998565 178107239 /nfs/dbraw/zinc/10/72/39/178107239.db2.gz HRHCTZKWWPUHPD-CHWSQXEVSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(N)cnc1-n1ccc(C(C)C)n1 ZINC000052884126 178108190 /nfs/dbraw/zinc/10/81/90/178108190.db2.gz PRDIEQJUDIKDCL-UHFFFAOYSA-N 0 0 216.288 2.281 10 0 BEAERN C[C@H]1CC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000536954309 398198115 /nfs/dbraw/zinc/19/81/15/398198115.db2.gz LTXJIARQZMFLFV-UFBFGSQYSA-N 0 0 222.288 2.041 10 0 BEAERN Cc1cc(N)nc(COc2ccc(F)cc2)n1 ZINC000071536771 178109430 /nfs/dbraw/zinc/10/94/30/178109430.db2.gz XBHREHSHNGVTAJ-UHFFFAOYSA-N 0 0 233.246 2.085 10 0 BEAERN Cc1cc(N)nn1CCCc1ccccc1 ZINC000067799942 178111596 /nfs/dbraw/zinc/11/15/96/178111596.db2.gz MDMZPYPFQPBPLH-UHFFFAOYSA-N 0 0 215.300 2.407 10 0 BEAERN Cc1cc(N2CCC3(CCC3)C2)nnc1C ZINC000302806333 178112199 /nfs/dbraw/zinc/11/21/99/178112199.db2.gz FVKZTEMVCPGICX-UHFFFAOYSA-N 0 0 217.316 2.474 10 0 BEAERN Cc1cc(N2CCCO[C@@H](C)C2)ccc1N ZINC000061916781 178114245 /nfs/dbraw/zinc/11/42/45/178114245.db2.gz CIDISQXPLKEISX-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN Cc1cc(Br)nc(C2CC2)n1 ZINC000162621801 538924120 /nfs/dbraw/zinc/92/41/20/538924120.db2.gz YZUWOYVXVODVJY-UHFFFAOYSA-N 0 0 213.078 2.425 10 0 BEAERN Cc1cc(NC(=O)C(C)(C)Br)no1 ZINC000019926892 178123551 /nfs/dbraw/zinc/12/35/51/178123551.db2.gz MNTNFMQGFLSBPC-UHFFFAOYSA-N 0 0 247.092 2.095 10 0 BEAERN CCC(CC)C(=O)Nc1ccc(N)cn1 ZINC000036903987 168341271 /nfs/dbraw/zinc/34/12/71/168341271.db2.gz XLCNUKMPLMAONH-UHFFFAOYSA-N 0 0 207.277 2.039 10 0 BEAERN Cc1cc(NC(C)C)ccc1NS(C)(=O)=O ZINC000037129677 178153820 /nfs/dbraw/zinc/15/38/20/178153820.db2.gz SOLJCWCYVGYUGQ-UHFFFAOYSA-N 0 0 242.344 2.187 10 0 BEAERN Cc1cc2ncnn2c(NC[C@@H]2CCCCO2)c1 ZINC000042822589 178164165 /nfs/dbraw/zinc/16/41/65/178164165.db2.gz MNSVYMGMCUWRPS-NSHDSACASA-N 0 0 246.314 2.019 10 0 BEAERN Cc1cc(NC[C@@H]2CCCO2)ccc1N ZINC000035277820 178166942 /nfs/dbraw/zinc/16/69/42/178166942.db2.gz UTPJXUKIEOPLIN-NSHDSACASA-N 0 0 206.289 2.168 10 0 BEAERN CC[NH+](CC)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163614759 538929681 /nfs/dbraw/zinc/92/96/81/538929681.db2.gz CVDPDAPEWOAUMU-UHFFFAOYSA-N 0 0 225.263 2.366 10 0 BEAERN Cc1cc(NC[C@H]2CCCCO2)nc(Cl)n1 ZINC000052814837 178168985 /nfs/dbraw/zinc/16/89/85/178168985.db2.gz WGPLCESKZWTTPY-SECBINFHSA-N 0 0 241.722 2.419 10 0 BEAERN Cc1nn(C)cc1/C=C/Br ZINC000606275567 538929914 /nfs/dbraw/zinc/92/99/14/538929914.db2.gz DVIBTBYSEYTUFD-ONEGZZNKSA-N 0 0 201.067 2.094 10 0 BEAERN C[C@@H](C1CC1)C1N=NC(=S)N1C1CC1 ZINC000163714485 538930235 /nfs/dbraw/zinc/93/02/35/538930235.db2.gz OQHVJKXUZXRZFN-LURJTMIESA-N 0 0 209.318 2.415 10 0 BEAERN Cc1cc(N[C@@H]2C[C@@H]2C)nc(C2CC2)n1 ZINC000265322603 178184006 /nfs/dbraw/zinc/18/40/06/178184006.db2.gz FGAZIWYHKHIWIX-OIBJUYFYSA-N 0 0 203.289 2.483 10 0 BEAERN Cc1cc(N[C@H](C)[C@H]2CCCO2)nc(C)n1 ZINC000037500234 178185862 /nfs/dbraw/zinc/18/58/62/178185862.db2.gz NRDJBUNHBFEILD-MWLCHTKSSA-N 0 0 221.304 2.073 10 0 BEAERN Cc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000039597098 178197840 /nfs/dbraw/zinc/19/78/40/178197840.db2.gz NANPUEKXYQNXPF-UHFFFAOYSA-N 0 0 206.241 2.444 10 0 BEAERN Cc1cc(O)ccc1NCc1cncnc1 ZINC000070634882 178201237 /nfs/dbraw/zinc/20/12/37/178201237.db2.gz FJIJNJMALDYQIL-UHFFFAOYSA-N 0 0 215.256 2.103 10 0 BEAERN Cc1cnc(N)c([C@H]2CCCC(=O)C2)c1 ZINC000070737712 361748281 /nfs/dbraw/zinc/74/82/81/361748281.db2.gz VWZKDMWEWLLEME-VIFPVBQESA-N 0 0 204.273 2.199 10 0 BEAERN CC(=O)CSCc1nccn1C(C)C ZINC000176740352 343988292 /nfs/dbraw/zinc/98/82/92/343988292.db2.gz SBDOHMUMGBKAHP-UHFFFAOYSA-N 0 0 212.318 2.286 10 0 BEAERN Cc1nccn1CCOc1cc(C)c(N)cc1C ZINC000062997921 178210773 /nfs/dbraw/zinc/21/07/73/178210773.db2.gz RZZVVMFLKMJWQP-UHFFFAOYSA-N 0 0 245.326 2.470 10 0 BEAERN Cc1cc(-c2c(N)cnn2C)ccc1F ZINC000020267368 538930822 /nfs/dbraw/zinc/93/08/22/538930822.db2.gz DASMUMYIQCXZEX-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cc1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)ccc1F ZINC000041278275 178220912 /nfs/dbraw/zinc/22/09/12/178220912.db2.gz AIKIBIUPOHHFQE-LBPRGKRZSA-N 0 0 237.274 2.356 10 0 BEAERN Cc1cc([C@@H](C)N(O)C(N)=O)c(C)s1 ZINC000013762882 178220949 /nfs/dbraw/zinc/22/09/49/178220949.db2.gz RVEUAFACUNFOMT-ZCFIWIBFSA-N 0 0 214.290 2.196 10 0 BEAERN Cc1ncsc1[C@@H](NN)c1cccs1 ZINC000128555409 349522164 /nfs/dbraw/zinc/52/21/64/349522164.db2.gz RPQNWRGCSDHTQG-QMMMGPOBSA-N 0 0 225.342 2.066 10 0 BEAERN Cc1ccsc1-c1noc([C@H](C)O)n1 ZINC000306643328 361779964 /nfs/dbraw/zinc/77/99/64/361779964.db2.gz WHKDTMUBDGOCMD-LURJTMIESA-N 0 0 210.258 2.160 10 0 BEAERN Cc1ccsc1-c1noc([C@@H](C)O)n1 ZINC000306643329 361780169 /nfs/dbraw/zinc/78/01/69/361780169.db2.gz WHKDTMUBDGOCMD-ZCFIWIBFSA-N 0 0 210.258 2.160 10 0 BEAERN Cc1cc([C@@H]([NH3+])CCCC(=O)[O-])ccc1F ZINC000075455268 178236482 /nfs/dbraw/zinc/23/64/82/178236482.db2.gz JLQPFMNZJOZLIR-NSHDSACASA-N 0 0 225.263 2.389 10 0 BEAERN Cc1n[nH]cc1CNC(=O)C[C@@H](C)C(C)(C)C ZINC000111617652 398240003 /nfs/dbraw/zinc/24/00/03/398240003.db2.gz WFVBGZYBPUFRKO-SECBINFHSA-N 0 0 237.347 2.407 10 0 BEAERN CC[C@H](CC(=O)OC)c1cccc(N)c1 ZINC000076500081 398241927 /nfs/dbraw/zinc/24/19/27/398241927.db2.gz LGVXYEBYELCKJP-SECBINFHSA-N 0 0 207.273 2.326 10 0 BEAERN Cc1cc2c(nc(C[C@@H]3CCCO3)nc2N)s1 ZINC000070156278 178279707 /nfs/dbraw/zinc/27/97/07/178279707.db2.gz PPHGNWQUFHJSJH-QMMMGPOBSA-N 0 0 249.339 2.303 10 0 BEAERN Cc1cc2c(nc(Cl)nc2NCCO)s1 ZINC000036277563 178280147 /nfs/dbraw/zinc/28/01/47/178280147.db2.gz CLOYNMNHLZNALC-UHFFFAOYSA-N 0 0 243.719 2.057 10 0 BEAERN C[C@H]1OCC[C@@H]1Sc1nccnc1Cl ZINC000235666277 398243902 /nfs/dbraw/zinc/24/39/02/398243902.db2.gz HSTSNFWQSCWGEZ-RQJHMYQMSA-N 0 0 230.720 2.400 10 0 BEAERN CCCCCC(O)=CC(=O)[C@@H]1CCOC1 ZINC000229650870 538939950 /nfs/dbraw/zinc/93/99/50/538939950.db2.gz RVZDBDBUPVPADG-SNVBAGLBSA-N 0 0 212.289 2.132 10 0 BEAERN Cc1cc2c(cc1Cl)NC[C@@H](CO)C2 ZINC000011985033 178289177 /nfs/dbraw/zinc/28/91/77/178289177.db2.gz TXSFPSJDJIDEOK-QMMMGPOBSA-N 0 0 211.692 2.225 10 0 BEAERN Cc1cc2c(cc1Cl)OCCC(=O)N2 ZINC000062525445 178289466 /nfs/dbraw/zinc/28/94/66/178289466.db2.gz SVHAKDVZSDZOBN-UHFFFAOYSA-N 0 0 211.648 2.369 10 0 BEAERN Cc1cc2ccccc2n1CC(=O)N[C@H]1C[C@H]1C ZINC000068150155 178297233 /nfs/dbraw/zinc/29/72/33/178297233.db2.gz ISAIGCFHFUQSSK-MFKMUULPSA-N 0 0 242.322 2.474 10 0 BEAERN Cc1cc2[nH]c(=NN)oc2cc1Br ZINC000062533549 178302655 /nfs/dbraw/zinc/30/26/55/178302655.db2.gz CBPDUDJREOZEGF-UHFFFAOYSA-N 0 0 242.076 2.184 10 0 BEAERN Cc1cc2nccc(-c3ccc(O)cc3)n2n1 ZINC000072416549 178304204 /nfs/dbraw/zinc/30/42/04/178304204.db2.gz KFEGJUCERYTQHX-UHFFFAOYSA-N 0 0 225.251 2.410 10 0 BEAERN Cc1cc2occ(C(=O)[O-])c(=O)c2cc1Cl ZINC000002583688 178307292 /nfs/dbraw/zinc/30/72/92/178307292.db2.gz KAAMBKCVYVYBIM-UHFFFAOYSA-N 0 0 238.626 2.453 10 0 BEAERN Cc1ccc(-c2ccnc(NC(N)=S)n2)cc1 ZINC000072416032 178327659 /nfs/dbraw/zinc/32/76/59/178327659.db2.gz SFUKECFHYSEOLT-UHFFFAOYSA-N 0 0 244.323 2.108 10 0 BEAERN CCC(CC)N(C)C(=O)c1cc(N)cn1CC ZINC000036863400 168367209 /nfs/dbraw/zinc/36/72/09/168367209.db2.gz RYYUWRXQOCGXNK-UHFFFAOYSA-N 0 0 237.347 2.351 10 0 BEAERN Cc1ccc(-c2cc(N)n(C)n2)cc1F ZINC000036938202 178321553 /nfs/dbraw/zinc/32/15/53/178321553.db2.gz LECCDLJMVDQSTJ-UHFFFAOYSA-N 0 0 205.236 2.117 10 0 BEAERN Cc1nc(-c2ccc(C)cc2)[nH]c1CO ZINC000078691911 178333440 /nfs/dbraw/zinc/33/34/40/178333440.db2.gz WWXRDEDHUNFFFG-UHFFFAOYSA-N 0 0 202.257 2.186 10 0 BEAERN Cc1ccc(-c2nc(CNC3CC3)no2)c(C)n1 ZINC000055331722 178336151 /nfs/dbraw/zinc/33/61/51/178336151.db2.gz BCNOJARIJQHXLY-UHFFFAOYSA-N 0 0 244.298 2.000 10 0 BEAERN Cc1ccc(-c2nnc([C@@H](C)N)o2)c(C)c1 ZINC000050284094 178340829 /nfs/dbraw/zinc/34/08/29/178340829.db2.gz FXEKKYIWSCMBJK-SECBINFHSA-N 0 0 217.272 2.373 10 0 BEAERN Cc1ccc(-c2nnc(N)s2)cc1F ZINC000019874328 178341534 /nfs/dbraw/zinc/34/15/34/178341534.db2.gz SGUJZAUFQQWSRY-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN Cc1ccc(-c2nnc3ccccn32)cc1N ZINC000019422598 178342606 /nfs/dbraw/zinc/34/26/06/178342606.db2.gz BAUAAFSVNNJLOC-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN O[C@@H]1CCCC[C@H]1N[C@H]1CCCC1(F)F ZINC000397980252 488177076 /nfs/dbraw/zinc/17/70/76/488177076.db2.gz DZHZPZCHOCVEOO-BBBLOLIVSA-N 0 0 219.275 2.067 10 0 BEAERN Cc1ccc(-n2c3ncccc3[nH]c2=O)cc1 ZINC000139092650 178345120 /nfs/dbraw/zinc/34/51/20/178345120.db2.gz GUEYCGUFCZUIPS-UHFFFAOYSA-N 0 0 225.251 2.022 10 0 BEAERN Cc1ccc(-n2nnc(CO)c2C(C)C)cc1 ZINC000045892129 178350010 /nfs/dbraw/zinc/35/00/10/178350010.db2.gz VPYKXTBJSCQFPI-UHFFFAOYSA-N 0 0 231.299 2.191 10 0 BEAERN Cc1ccc(-n2ccnc2)cc1[C@H](C)O ZINC000039105157 178347337 /nfs/dbraw/zinc/34/73/37/178347337.db2.gz SDQXVTPJJDXALN-JTQLQIEISA-N 0 0 202.257 2.234 10 0 BEAERN Cc1ccc(-n2ncc3c2nc(C)nc3N)cc1 ZINC000001603771 178349489 /nfs/dbraw/zinc/34/94/89/178349489.db2.gz BTFUMPWWLQYDPE-UHFFFAOYSA-N 0 0 239.282 2.015 10 0 BEAERN Cc1ccc(-n2nc(N)nc2C(C)C)cc1 ZINC000259000916 349543035 /nfs/dbraw/zinc/54/30/35/349543035.db2.gz WRWLUYULFKXHHV-UHFFFAOYSA-N 0 0 216.288 2.281 10 0 BEAERN C/C(=C\I)CCCCO ZINC000212635469 343998846 /nfs/dbraw/zinc/99/88/46/343998846.db2.gz PLLXXOAOTUQUNA-VOTSOKGWSA-N 0 0 240.084 2.488 10 0 BEAERN CCC(CC)N(CCO)C(=O)c1ccoc1C ZINC000042506460 168374303 /nfs/dbraw/zinc/37/43/03/168374303.db2.gz IKCBKKFYMHJOIG-UHFFFAOYSA-N 0 0 239.315 2.211 10 0 BEAERN CCN1CC[C@H](CCO)c2ccccc21 ZINC000616589627 349561215 /nfs/dbraw/zinc/56/12/15/349561215.db2.gz JPEHSHVAAUCJHP-LLVKDONJSA-N 0 0 205.301 2.383 10 0 BEAERN NC(=O)N1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616612642 349574997 /nfs/dbraw/zinc/57/49/97/349574997.db2.gz XAIFJSRWAGQNKE-LLVKDONJSA-N 0 0 241.294 2.103 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2C3)cc1N ZINC000049715767 178398807 /nfs/dbraw/zinc/39/88/07/178398807.db2.gz CAFOBWCQDHILIQ-PWSUYJOCSA-N 0 0 230.311 2.202 10 0 BEAERN O[C@@H]1CCC[C@@H](CN(CC(F)F)C2CC2)C1 ZINC000381644736 398268147 /nfs/dbraw/zinc/26/81/47/398268147.db2.gz QBSMQAZRFUJCNB-MWLCHTKSSA-N 0 0 233.302 2.267 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000179246127 538954824 /nfs/dbraw/zinc/95/48/24/538954824.db2.gz YJWRXYLBSNWICX-KGLIPLIRSA-N 0 0 247.338 2.276 10 0 BEAERN CCOC(=O)COc1ccc(C=O)c(Cl)c1 ZINC000196506759 398268480 /nfs/dbraw/zinc/26/84/80/398268480.db2.gz JJSFXCGCHUACHT-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN CCC(CC)[N@H+](CCOC)[C@H](CC)CC(=O)[O-] ZINC000062755689 168376455 /nfs/dbraw/zinc/37/64/55/168376455.db2.gz ZFDHDBSKVWMQNS-GFCCVEGCSA-N 0 0 245.363 2.377 10 0 BEAERN CCOC(=O)Cc1ccc(C(C)=O)s1 ZINC000259661530 349600416 /nfs/dbraw/zinc/60/04/16/349600416.db2.gz KRJBLQSIRBRBES-UHFFFAOYSA-N 0 0 212.270 2.056 10 0 BEAERN Nc1cc([C@@H]2CCNc3ccccc32)ccn1 ZINC000616589784 349600796 /nfs/dbraw/zinc/60/07/96/349600796.db2.gz VDFOGJCGWCBHCI-NSHDSACASA-N 0 0 225.295 2.442 10 0 BEAERN CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000405616004 538960387 /nfs/dbraw/zinc/96/03/87/538960387.db2.gz VTDYYONDTGYADX-WPRPVWTQSA-N 0 0 227.304 2.221 10 0 BEAERN CC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000405619830 538960524 /nfs/dbraw/zinc/96/05/24/538960524.db2.gz DLYFCRJBTHOTFU-GFCCVEGCSA-N 0 0 227.304 2.269 10 0 BEAERN CCCCCS(=O)(=O)N[C@H](C)C(C)C ZINC000181394232 538960877 /nfs/dbraw/zinc/96/08/77/538960877.db2.gz PMECGLAOTTZDFT-SNVBAGLBSA-N 0 0 221.366 2.141 10 0 BEAERN CCOC(=O)N1CCCC[C@@H]1c1c[nH]cn1 ZINC000616613266 349609331 /nfs/dbraw/zinc/60/93/31/349609331.db2.gz SFBBYJUNWCUZRJ-SNVBAGLBSA-N 0 0 223.276 2.093 10 0 BEAERN CSc1nnc(S[C@@H]2CCCO2)s1 ZINC000306650991 361855137 /nfs/dbraw/zinc/85/51/37/361855137.db2.gz FTGKWNANBCSJMZ-RXMQYKEDSA-N 0 0 234.371 2.489 10 0 BEAERN CCCC(=O)CNC(=O)OCc1ccccc1 ZINC000405943373 538961971 /nfs/dbraw/zinc/96/19/71/538961971.db2.gz CAZQQQBBCZUZGS-UHFFFAOYSA-N 0 0 235.283 2.282 10 0 BEAERN FC(F)(F)[C@@H]1N[C@H](c2ccccc2)CO1 ZINC000080443165 398277218 /nfs/dbraw/zinc/27/72/18/398277218.db2.gz KWZQDMRRNOKEII-DTWKUNHWSA-N 0 0 217.190 2.236 10 0 BEAERN C[C@@H](CC(F)F)Nc1cc(Cl)nc(N)n1 ZINC000306649675 361846198 /nfs/dbraw/zinc/84/61/98/361846198.db2.gz FDXIPFDXKTWDLH-BYPYZUCNSA-N 0 0 236.653 2.168 10 0 BEAERN CC(C)c1noc(NCC[C@@H]2CCCO2)n1 ZINC000309586842 342716299 /nfs/dbraw/zinc/71/62/99/342716299.db2.gz SCMWORXEBJSJDJ-VIFPVBQESA-N 0 0 225.292 2.174 10 0 BEAERN CCC[C@H]1CCCCN1C(=O)[C@H](C)COC ZINC000183067799 538966152 /nfs/dbraw/zinc/96/61/52/538966152.db2.gz SYAYIEBRGGSXCI-NEPJUHHUSA-N 0 0 227.348 2.450 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1 ZINC000144715765 342748894 /nfs/dbraw/zinc/74/88/94/342748894.db2.gz QYLOHMMLBJJYII-BDAKNGLRSA-N 0 0 245.319 2.051 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)C2CC2)cc1N ZINC000035732590 178429939 /nfs/dbraw/zinc/42/99/39/178429939.db2.gz PTVYWDMAPIAVKN-SECBINFHSA-N 0 0 218.300 2.106 10 0 BEAERN O=C(c1cc2ccncc2[nH]1)c1ccccn1 ZINC000144715117 342749770 /nfs/dbraw/zinc/74/97/70/342749770.db2.gz RPBFBPCIIWNRQB-UHFFFAOYSA-N 0 0 223.235 2.189 10 0 BEAERN CC1(C)CC(=O)N(Cc2ccccc2)C(=O)C1 ZINC000005175773 398280403 /nfs/dbraw/zinc/28/04/03/398280403.db2.gz ZQADGHDZWLYXBI-UHFFFAOYSA-N 0 0 231.295 2.362 10 0 BEAERN N#Cc1cc(N)c(F)cc1Br ZINC000144857494 342754151 /nfs/dbraw/zinc/75/41/51/342754151.db2.gz RQOWXJQGBNHCIM-UHFFFAOYSA-N 0 0 215.025 2.042 10 0 BEAERN CCOC(=O)Nc1cccc(Br)n1 ZINC000035678880 342754665 /nfs/dbraw/zinc/75/46/65/342754665.db2.gz WAAQFZWBSXITMV-UHFFFAOYSA-N 0 0 245.076 2.413 10 0 BEAERN Cc1ccc(CC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000144980502 342757087 /nfs/dbraw/zinc/75/70/87/342757087.db2.gz IKIFSCROIRZDOA-UHFFFAOYSA-N 0 0 247.338 2.334 10 0 BEAERN C[C@H]1COc2ccc(Br)nc2N1 ZINC000145671654 342762476 /nfs/dbraw/zinc/76/24/76/342762476.db2.gz ZCRJFYVKESHJQN-YFKPBYRVSA-N 0 0 229.077 2.037 10 0 BEAERN O=C([O-])c1cc(OCC2CC2)c(C2CC2)cn1 ZINC000146315431 342767915 /nfs/dbraw/zinc/76/79/15/342767915.db2.gz WCOAHUBZGBPHJH-UHFFFAOYSA-N 0 0 233.267 2.446 10 0 BEAERN O=C1CCCN1[C@H]1CCc2ccccc21 ZINC000146378764 342769065 /nfs/dbraw/zinc/76/90/65/342769065.db2.gz AYRRPBGRVWLOMK-LBPRGKRZSA-N 0 0 201.269 2.296 10 0 BEAERN CC(C)Cc1ccc([C@@H](C)S(N)(=O)=O)cc1 ZINC000038918965 538967823 /nfs/dbraw/zinc/96/78/23/538967823.db2.gz OPKBMCKLFOLVSJ-SNVBAGLBSA-N 0 0 241.356 2.235 10 0 BEAERN CCOC(=O)c1ccc(C2CCOCC2)nc1C ZINC000146733061 342771230 /nfs/dbraw/zinc/77/12/30/342771230.db2.gz HXLVUXPLQJKLSR-UHFFFAOYSA-N 0 0 249.310 2.461 10 0 BEAERN CC(=O)OCC[C@@H]1CC(=O)[C@@H](C)C1(C)C ZINC000006030474 342772609 /nfs/dbraw/zinc/77/26/09/342772609.db2.gz ODBRWRPMELYFSQ-PSASIEDQSA-N 0 0 212.289 2.191 10 0 BEAERN Clc1cccc(NC2=NC=NC3=NC=N[C@@H]32)c1 ZINC000006534904 342779033 /nfs/dbraw/zinc/77/90/33/342779033.db2.gz LRKAZGGVXFQWBN-VIFPVBQESA-N 0 0 245.673 2.001 10 0 BEAERN CCCc1nc(CC)ncc1C(=O)OCC ZINC000008700223 342802591 /nfs/dbraw/zinc/80/25/91/342802591.db2.gz AUGHBUJFMJXJLQ-UHFFFAOYSA-N 0 0 222.288 2.168 10 0 BEAERN CC(C)(O)c1ccc(Br)cc1CO ZINC000147741070 342780002 /nfs/dbraw/zinc/78/00/02/342780002.db2.gz IRBLVWPWZRZNIR-UHFFFAOYSA-N 0 0 245.116 2.169 10 0 BEAERN CCN(CCO)c1nccc2sccc21 ZINC000040453196 538971158 /nfs/dbraw/zinc/97/11/58/538971158.db2.gz RPYBEIQOVNAYCM-UHFFFAOYSA-N 0 0 222.313 2.115 10 0 BEAERN Cn1c2ccc(N)cc2nc1-c1cccnc1 ZINC000006953591 342786781 /nfs/dbraw/zinc/78/67/81/342786781.db2.gz LRSHWUHXEFEVET-UHFFFAOYSA-N 0 0 224.267 2.218 10 0 BEAERN CCOC(=O)Nc1ccc(Cl)cc1CO ZINC000148141418 342787739 /nfs/dbraw/zinc/78/77/39/342787739.db2.gz QQEFZVAEYDQRED-UHFFFAOYSA-N 0 0 229.663 2.401 10 0 BEAERN Cn1nnc(-c2ccccc2F)c1-c1c[nH]cn1 ZINC000148163515 342788862 /nfs/dbraw/zinc/78/88/62/342788862.db2.gz KVRWHTRLUHQXQU-UHFFFAOYSA-N 0 0 243.245 2.011 10 0 BEAERN CCO[P@](=O)(C(C)=O)c1ccccc1 ZINC000149086737 342792904 /nfs/dbraw/zinc/79/29/04/342792904.db2.gz ZUBPKPWKISZVLH-CQSZACIVSA-N 0 0 212.185 2.173 10 0 BEAERN CC(C)(C)Nc1ncnc2c(N)cccc12 ZINC000149229700 342793389 /nfs/dbraw/zinc/79/33/89/342793389.db2.gz VCICHJQYSHJWNI-UHFFFAOYSA-N 0 0 216.288 2.422 10 0 BEAERN CC(C)(C[C@H]1CC(=O)N1)c1ccccc1 ZINC000149289896 342793655 /nfs/dbraw/zinc/79/36/55/342793655.db2.gz MCBOPECPZSDPFX-LLVKDONJSA-N 0 0 203.285 2.243 10 0 BEAERN C[S@@](=O)Cc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000150240130 342798969 /nfs/dbraw/zinc/79/89/69/342798969.db2.gz QPNCOKGJNRDMSR-AWEZNQCLSA-N 0 0 233.676 2.127 10 0 BEAERN COc1cc2[nH]c(=O)ccc2cc1Cl ZINC000232205815 342799227 /nfs/dbraw/zinc/79/92/27/342799227.db2.gz AERNQYSHBFCEOD-UHFFFAOYSA-N 0 0 209.632 2.190 10 0 BEAERN CC[C@@]1(C)CN(C(=O)N[C@@H](C)C(C)C)CCO1 ZINC000187725812 538977315 /nfs/dbraw/zinc/97/73/15/538977315.db2.gz KGJRVIZGOJSAIR-AAEUAGOBSA-N 0 0 242.363 2.241 10 0 BEAERN CCCNc1nc(OC)c(F)cc1F ZINC000233200846 342811329 /nfs/dbraw/zinc/81/13/29/342811329.db2.gz SXTCAUQDTVGQPX-UHFFFAOYSA-N 0 0 202.204 2.190 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000188430633 538978990 /nfs/dbraw/zinc/97/89/90/538978990.db2.gz QHLCCQYWTRZUIK-GHMZBOCLSA-N 0 0 225.332 2.060 10 0 BEAERN Cc1ccc(CNCc2nccn2C)cc1 ZINC000022863631 342815857 /nfs/dbraw/zinc/81/58/57/342815857.db2.gz TUHZXIXECPYZEX-UHFFFAOYSA-N 0 0 215.300 2.018 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000624673638 342817228 /nfs/dbraw/zinc/81/72/28/342817228.db2.gz MXOLQSOAXISXMI-NWDGAFQWSA-N 0 0 247.342 2.001 10 0 BEAERN Nc1cccc(-c2cnn3c2CCCC3)c1 ZINC000630052449 361921307 /nfs/dbraw/zinc/92/13/07/361921307.db2.gz JKRJGXMGWHIKRN-UHFFFAOYSA-N 0 0 213.284 2.469 10 0 BEAERN CC(C)[C@H](C)C(=O)N[C@H]1CCCCC[C@H]1O ZINC000252865059 534924875 /nfs/dbraw/zinc/92/48/75/534924875.db2.gz LSTVLHOYHJFQFZ-SDDRHHMPSA-N 0 0 227.348 2.088 10 0 BEAERN CCC(CC)Nc1c2cc[nH]c2ncc1C(N)=O ZINC000090414508 168394133 /nfs/dbraw/zinc/39/41/33/168394133.db2.gz AILXYDBEEAPYIW-UHFFFAOYSA-N 0 0 246.314 2.262 10 0 BEAERN CCC(CC)OC(=O)[C@H](C)[C@@H](O)CC ZINC000014491107 168395587 /nfs/dbraw/zinc/39/55/87/168395587.db2.gz JZOCRUBSQNZLIW-SCZZXKLOSA-N 0 0 202.294 2.125 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)CC1CCCC1 ZINC000190681739 538990112 /nfs/dbraw/zinc/99/01/12/538990112.db2.gz URJZPFCRJXCIQQ-WCQYABFASA-N 0 0 239.359 2.450 10 0 BEAERN Cc1cc(C=O)c(C)n1[C@H]1CCCOC1 ZINC000071014011 361930925 /nfs/dbraw/zinc/93/09/25/361930925.db2.gz ZZYFFTGRFJELEF-LBPRGKRZSA-N 0 0 207.273 2.269 10 0 BEAERN CCCN1CCc2nc(C(C)=O)sc2C1 ZINC000071026762 361931501 /nfs/dbraw/zinc/93/15/01/361931501.db2.gz SVPPHYNXXUSAQV-UHFFFAOYSA-N 0 0 224.329 2.114 10 0 BEAERN CCC[C@]1(C(=O)OCC)O[C@]12CC[C@H]2C ZINC000379899418 538981552 /nfs/dbraw/zinc/98/15/52/538981552.db2.gz DUAVVJAQCPJCTL-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN CCc1nnc(Cl)n1[C@@H]1CCC[C@@H]1OC ZINC000071055035 361938915 /nfs/dbraw/zinc/93/89/15/361938915.db2.gz OATQPDAVNKLACM-SFYZADRCSA-N 0 0 229.711 2.234 10 0 BEAERN COc1ccc(-n2cnnc2Cl)c(C)c1 ZINC000071055171 361938947 /nfs/dbraw/zinc/93/89/47/361938947.db2.gz ZALNSUOBLGIPGX-UHFFFAOYSA-N 0 0 223.663 2.238 10 0 BEAERN Fc1cccc(-n2cnnc2Cl)c1F ZINC000071055829 361939263 /nfs/dbraw/zinc/93/92/63/361939263.db2.gz MBTIEVGXDUPLKN-UHFFFAOYSA-N 0 0 215.590 2.199 10 0 BEAERN Clc1nnc([C@H]2CCCCO2)s1 ZINC000071050890 361941141 /nfs/dbraw/zinc/94/11/41/361941141.db2.gz XSXOMYILIFTDBY-RXMQYKEDSA-N 0 0 204.682 2.433 10 0 BEAERN Cc1ccc(C)c(Cn2ccc(N)n2)c1 ZINC000049256828 539008604 /nfs/dbraw/zinc/00/86/04/539008604.db2.gz OQLSBBXMSHOOQK-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Cc1ccc(Cn2cc(N)cn2)cc1C ZINC000049668722 539009453 /nfs/dbraw/zinc/00/94/53/539009453.db2.gz OQDXABXIKBTDBS-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN Brc1ccccc1C[C@@H]1CO1 ZINC000196283189 539011469 /nfs/dbraw/zinc/01/14/69/539011469.db2.gz JZRUNNCPHWHUKL-MRVPVSSYSA-N 0 0 213.074 2.390 10 0 BEAERN O=c1[nH]cc(-c2ccncc2)cc1C(F)(F)F ZINC000047217400 539000284 /nfs/dbraw/zinc/00/02/84/539000284.db2.gz UXMINDVSPGFBTH-UHFFFAOYSA-N 0 0 240.184 2.456 10 0 BEAERN Cc1cnn(-c2ncccc2Br)c1 ZINC000042376346 361989456 /nfs/dbraw/zinc/98/94/56/361989456.db2.gz AYXOQEQFRWBPMQ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Nc1ccc(SC[C@@H]2CCOC2)cc1 ZINC000042375696 361987798 /nfs/dbraw/zinc/98/77/98/361987798.db2.gz JJHLQHNTJGBQCP-SECBINFHSA-N 0 0 209.314 2.397 10 0 BEAERN Cc1noc(-c2ccc3c(c2)CCCN3)n1 ZINC000036895648 398297064 /nfs/dbraw/zinc/29/70/64/398297064.db2.gz AZONFBZKBJNIIJ-UHFFFAOYSA-N 0 0 215.256 2.403 10 0 BEAERN COc1nn(C)cc1N[C@H]1CC[C@@H]1C(C)C ZINC000390665599 539027066 /nfs/dbraw/zinc/02/70/66/539027066.db2.gz UFGKRCSSWFJBPJ-ZJUUUORDSA-N 0 0 223.320 2.275 10 0 BEAERN Cc1ccc([C@H]2NCCc3occc32)nc1 ZINC000709938766 539027770 /nfs/dbraw/zinc/02/77/70/539027770.db2.gz NWLIWYHCXIDWCB-ZDUSSCGKSA-N 0 0 214.268 2.218 10 0 BEAERN Cc1cc([C@@H]2NCCc3occc32)sn1 ZINC000709991381 539027808 /nfs/dbraw/zinc/02/78/08/539027808.db2.gz WMFPHDWWVAVVQB-LLVKDONJSA-N 0 0 220.297 2.280 10 0 BEAERN COC(=O)/C=C/c1ccc(F)c(F)c1F ZINC000382646040 361968569 /nfs/dbraw/zinc/96/85/69/361968569.db2.gz XUXQHGFOPVQMQQ-HWKANZROSA-N 0 0 216.158 2.290 10 0 BEAERN Cc1cccc(-c2nc3c(c(=O)[nH]2)CCC3)c1 ZINC000042401104 361997264 /nfs/dbraw/zinc/99/72/64/361997264.db2.gz FSZDJRGKEKKIOQ-UHFFFAOYSA-N 0 0 226.279 2.234 10 0 BEAERN OC[C@H]1CCCN1c1nccc2sccc21 ZINC000042434619 361999946 /nfs/dbraw/zinc/99/99/46/361999946.db2.gz YWKVZHCQSXSDNF-SECBINFHSA-N 0 0 234.324 2.257 10 0 BEAERN OC[C@@H]1CCCN1c1nccc2sccc21 ZINC000042434620 362000029 /nfs/dbraw/zinc/00/00/29/362000029.db2.gz YWKVZHCQSXSDNF-VIFPVBQESA-N 0 0 234.324 2.257 10 0 BEAERN FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1 ZINC000090557581 398301737 /nfs/dbraw/zinc/30/17/37/398301737.db2.gz DEYSRYSDNZTANC-LLVKDONJSA-N 0 0 244.260 2.023 10 0 BEAERN CN(C)c1nc(Cl)nc2ccsc21 ZINC000059666670 342853168 /nfs/dbraw/zinc/85/31/68/342853168.db2.gz KLUTWHQEJLDLEQ-UHFFFAOYSA-N 0 0 213.693 2.411 10 0 BEAERN C[C@@H]1OCC[C@@]1(O)Cc1ccc(Cl)s1 ZINC000134434843 342854209 /nfs/dbraw/zinc/85/42/09/342854209.db2.gz DPLKQYRZNFCVTN-OIBJUYFYSA-N 0 0 232.732 2.484 10 0 BEAERN C[C@H]1OCC[C@]1(O)CCc1ccsc1 ZINC000134441947 342854320 /nfs/dbraw/zinc/85/43/20/342854320.db2.gz OHXUAMFAHLSFOL-MWLCHTKSSA-N 0 0 212.314 2.221 10 0 BEAERN C[C@H]1OCC[C@@H]1N(C)c1ccc(C=O)s1 ZINC000134720618 342878535 /nfs/dbraw/zinc/87/85/35/342878535.db2.gz DYMNWCROYOUJBO-SCZZXKLOSA-N 0 0 225.313 2.174 10 0 BEAERN CCOC(=O)c1cc(O)c2ccncc2c1 ZINC000380869036 259326705 /nfs/dbraw/zinc/32/67/05/259326705.db2.gz GFJLOLPFQDRLFL-UHFFFAOYSA-N 0 0 217.224 2.117 10 0 BEAERN COc1c2ccoc2c(O)c2oc(=O)ccc12 ZINC000013322992 342865847 /nfs/dbraw/zinc/86/58/47/342865847.db2.gz MVJHUMZXIJPVHV-UHFFFAOYSA-N 0 0 232.191 2.253 10 0 endogenous,in-man BEAERN CCNc1cc(C(F)(F)F)ncc1N ZINC000165025901 342869823 /nfs/dbraw/zinc/86/98/23/342869823.db2.gz SDHSIXOCJXXJSD-UHFFFAOYSA-N 0 0 205.183 2.114 10 0 BEAERN CCOc1cc([C@@H](C)NO)ccc1OC ZINC000308762826 342870065 /nfs/dbraw/zinc/87/00/65/342870065.db2.gz RSGFCIHRCXNXJP-MRVPVSSYSA-N 0 0 211.261 2.134 10 0 BEAERN Cc1cc(N[C@@H]2CCO[C@H]2C)nc(Cl)n1 ZINC000134582697 342870370 /nfs/dbraw/zinc/87/03/70/342870370.db2.gz OEUKNNJWGKYQEK-JGVFFNPUSA-N 0 0 227.695 2.028 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc(Cl)ncc1Cl ZINC000134583012 342870494 /nfs/dbraw/zinc/87/04/94/342870494.db2.gz NIGTVEZLCBPMLX-FSPLSTOPSA-N 0 0 248.113 2.373 10 0 BEAERN CC(=O)Oc1cccc(C(=O)C(F)F)c1 ZINC000308793544 342871601 /nfs/dbraw/zinc/87/16/01/342871601.db2.gz FOZWODPGNMJATK-UHFFFAOYSA-N 0 0 214.167 2.060 10 0 BEAERN Cc1cc(N[C@@H](C)C[C@H](C)O)nc(Cl)n1 ZINC000165043149 342871968 /nfs/dbraw/zinc/87/19/68/342871968.db2.gz CTAQWHOROQDIID-XPUUQOCRSA-N 0 0 229.711 2.010 10 0 BEAERN CC(=O)c1cn2cc(Br)ccc2n1 ZINC000059864521 342872887 /nfs/dbraw/zinc/87/28/87/342872887.db2.gz XTXHRMDWOPCLHO-UHFFFAOYSA-N 0 0 239.072 2.299 10 0 BEAERN O[C@@H]1CSC[C@H]1Cc1ccc(F)cc1 ZINC000134659116 342875322 /nfs/dbraw/zinc/87/53/22/342875322.db2.gz ZBCJDOAKAQJHEJ-MWLCHTKSSA-N 0 0 212.289 2.092 10 0 BEAERN O[C@H]1CSC[C@H]1CCc1ccccc1 ZINC000134662186 342875332 /nfs/dbraw/zinc/87/53/32/342875332.db2.gz PXEPILAVXFBHNV-NEPJUHHUSA-N 0 0 208.326 2.343 10 0 BEAERN Cc1ccc(C[C@H]2CSC[C@@H]2O)cc1 ZINC000134655377 342875400 /nfs/dbraw/zinc/87/54/00/342875400.db2.gz QBVMDQPZLNNSGR-RYUDHWBXSA-N 0 0 208.326 2.261 10 0 BEAERN Cc1nc(C[C@@H]2CSC[C@@H]2O)sc1C ZINC000134663174 342875637 /nfs/dbraw/zinc/87/56/37/342875637.db2.gz PRTMJHBZAVKVMM-BDAKNGLRSA-N 0 0 229.370 2.026 10 0 BEAERN O[C@H]1CSC[C@@H]1Cc1ccsc1 ZINC000134664090 342875790 /nfs/dbraw/zinc/87/57/90/342875790.db2.gz OBCPMZBZKHQNFZ-IUCAKERBSA-N 0 0 200.328 2.015 10 0 BEAERN Cc1ccccc1C[C@@H]1CSC[C@H]1O ZINC000134663926 342875977 /nfs/dbraw/zinc/87/59/77/342875977.db2.gz KWEWWXDNSSDPKU-VXGBXAGGSA-N 0 0 208.326 2.261 10 0 BEAERN CCC[C@@H](NO)c1ccc(OC)c(O)c1 ZINC000308906454 342876689 /nfs/dbraw/zinc/87/66/89/342876689.db2.gz VOYUYLYEPFCYPW-SECBINFHSA-N 0 0 211.261 2.221 10 0 BEAERN CCc1cc(Cl)n2nc(C3CC3)nc2n1 ZINC000229931663 342857227 /nfs/dbraw/zinc/85/72/27/342857227.db2.gz SDAMEYCQVCVWSN-UHFFFAOYSA-N 0 0 222.679 2.218 10 0 BEAERN CSCCCC(=O)N[C@H](C)c1ccccn1 ZINC000134498243 342860295 /nfs/dbraw/zinc/86/02/95/342860295.db2.gz ADBUZQOJNGPCKG-SNVBAGLBSA-N 0 0 238.356 2.402 10 0 BEAERN CC[C@@H](O)CNc1c(N)cccc1Cl ZINC000229957996 342860342 /nfs/dbraw/zinc/86/03/42/342860342.db2.gz BZDXUPINISLUFX-SSDOTTSWSA-N 0 0 214.696 2.105 10 0 BEAERN CCn1nccc1[C@@H]1NCC[C@@H](C)S1 ZINC000164944020 342860459 /nfs/dbraw/zinc/86/04/59/342860459.db2.gz QPQHPDOYTUMLPT-PSASIEDQSA-N 0 0 211.334 2.017 10 0 BEAERN CC(C)COc1ncc(N)cc1Cl ZINC000232597480 342860604 /nfs/dbraw/zinc/86/06/04/342860604.db2.gz FOQDZYZHGRKXMW-UHFFFAOYSA-N 0 0 200.669 2.352 10 0 BEAERN CC[C@H](C)c1noc(-c2cc3n(n2)CCC3)n1 ZINC000333170256 398316416 /nfs/dbraw/zinc/31/64/16/398316416.db2.gz JHKDBMIBUJHIRR-QMMMGPOBSA-N 0 0 232.287 2.393 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(Cl)cn1 ZINC000336255036 398317304 /nfs/dbraw/zinc/31/73/04/398317304.db2.gz NZGFUBDOIWPEHL-SKDRFNHKSA-N 0 0 240.734 2.080 10 0 BEAERN CN(C)c1cccc(-c2nnc(Cl)o2)c1 ZINC000157745830 342886142 /nfs/dbraw/zinc/88/61/42/342886142.db2.gz JTPXLNYIWFCDJQ-UHFFFAOYSA-N 0 0 223.663 2.456 10 0 BEAERN Cc1nc(-c2nnc(Cl)o2)cs1 ZINC000157748458 342889217 /nfs/dbraw/zinc/88/92/17/342889217.db2.gz MCAIYSYGXBOPFU-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN COC(=O)c1cc(C)cc(N)c1C(F)(F)F ZINC000309094352 342890618 /nfs/dbraw/zinc/89/06/18/342890618.db2.gz NAMKSPOTDCCSDC-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(Cl)ccc1O ZINC000103520828 398321796 /nfs/dbraw/zinc/32/17/96/398321796.db2.gz LBKRUGRPOJZUBT-SSDOTTSWSA-N 0 0 243.690 2.267 10 0 BEAERN Nc1ccc(Cl)cc1Sc1nc[nH]n1 ZINC000228416019 398324446 /nfs/dbraw/zinc/32/44/46/398324446.db2.gz PBYZDNZRZYJOQP-UHFFFAOYSA-N 0 0 226.692 2.192 10 0 BEAERN COC(=O)c1cncc(C)c1OC(F)(F)F ZINC000309179784 342903352 /nfs/dbraw/zinc/90/33/52/342903352.db2.gz BWUAIBNTNCUPDL-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CC(=O)c1sc(N[C@H]2C[C@@H]2C)cc1N ZINC000235579487 344008784 /nfs/dbraw/zinc/00/87/84/344008784.db2.gz KGDVKLWWTJQSFL-XNCJUZBTSA-N 0 0 210.302 2.353 10 0 BEAERN CC[C@H](C)Nc1ncnc(N)c1Br ZINC000234000092 342924370 /nfs/dbraw/zinc/92/43/70/342924370.db2.gz DPRNNSJYSSTUSK-YFKPBYRVSA-N 0 0 245.124 2.032 10 0 BEAERN O=Cc1cc(F)cc(F)c1OC(F)F ZINC000306790509 398325937 /nfs/dbraw/zinc/32/59/37/398325937.db2.gz VWUOQWUVYFTUMB-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN C=C(Cl)C(=O)NCC=C(Cl)Cl ZINC000407277640 342914340 /nfs/dbraw/zinc/91/43/40/342914340.db2.gz ZVPOSBNAFPCGIQ-UHFFFAOYSA-N 0 0 214.479 2.174 10 0 BEAERN Nc1cc(Br)cc(-c2nnco2)c1 ZINC000165341488 342915283 /nfs/dbraw/zinc/91/52/83/342915283.db2.gz BQVZRNWITJOMJE-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092910 398335972 /nfs/dbraw/zinc/33/59/72/398335972.db2.gz YHQXDCWXLZGVMJ-GZMMTYOYSA-N 0 0 240.734 2.255 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1ncc(N)cc1Cl ZINC000235286808 398336577 /nfs/dbraw/zinc/33/65/77/398336577.db2.gz LMRMQJNOCIXESG-RNFRBKRXSA-N 0 0 211.696 2.385 10 0 BEAERN CCOC(=O)c1cc(F)cc2[nH]ccc21 ZINC000260254084 398334962 /nfs/dbraw/zinc/33/49/62/398334962.db2.gz SSXQODMBRUGIAO-UHFFFAOYSA-N 0 0 207.204 2.484 10 0 BEAERN CCOC(=O)c1cc(C2CC2)nc2n[nH]cc21 ZINC000116871364 342939058 /nfs/dbraw/zinc/93/90/58/342939058.db2.gz GBTWSRNPJUSTML-UHFFFAOYSA-N 0 0 231.255 2.012 10 0 BEAERN COC(=O)c1ccc(O)c(C(F)F)c1 ZINC000260258648 349677276 /nfs/dbraw/zinc/67/72/76/349677276.db2.gz YXRVITYAWKMQIR-UHFFFAOYSA-N 0 0 202.156 2.116 10 0 BEAERN C[C@@H]1OC(=O)N(c2ccnc(Cl)n2)C1(C)C ZINC000142047485 398343807 /nfs/dbraw/zinc/34/38/07/398343807.db2.gz FBFYMBJCSDYXRL-LURJTMIESA-N 0 0 241.678 2.254 10 0 BEAERN Cc1ccc(CSc2nnc(CN)o2)cc1C ZINC000040173883 342959092 /nfs/dbraw/zinc/95/90/92/342959092.db2.gz XYKYKMXDHZXWRF-UHFFFAOYSA-N 0 0 249.339 2.437 10 0 BEAERN CC(=O)c1cn(Cc2ccccc2)c(C)n1 ZINC000167713424 346904461 /nfs/dbraw/zinc/90/44/61/346904461.db2.gz YNKDPLUKKFQWBM-UHFFFAOYSA-N 0 0 214.268 2.442 10 0 BEAERN C[C@H](NN)c1ccc(Br)c(F)c1 ZINC000127201628 344019955 /nfs/dbraw/zinc/01/99/55/344019955.db2.gz GEAKMBCVHYFGHJ-YFKPBYRVSA-N 0 0 233.084 2.113 10 0 BEAERN Clc1cc(Nn2cccc2)c(Cl)nn1 ZINC000127200894 344020147 /nfs/dbraw/zinc/02/01/47/344020147.db2.gz NYORAQBUPGYNHC-UHFFFAOYSA-N 0 0 229.070 2.460 10 0 BEAERN CCOc1cc(C=O)ccc1Oc1ncccn1 ZINC000020176060 342974222 /nfs/dbraw/zinc/97/42/22/342974222.db2.gz VUMQCKGJPXEDNM-UHFFFAOYSA-N 0 0 244.250 2.480 10 0 BEAERN Cc1ccc(C)c(C[C@H]2CC[C@H](C(=O)[O-])[NH2+]2)c1 ZINC000083101282 178476691 /nfs/dbraw/zinc/47/66/91/178476691.db2.gz DSHOVBLTXWJBFI-CHWSQXEVSA-N 0 0 233.311 2.051 10 0 BEAERN CCOc1cc(CO)ccc1OC(C)C ZINC000020031527 342966713 /nfs/dbraw/zinc/96/67/13/342966713.db2.gz AGLVBRKTQYDLCC-UHFFFAOYSA-N 0 0 210.273 2.365 10 0 BEAERN C[C@@H](C#N)c1ccc(Br)cn1 ZINC000216812460 342978140 /nfs/dbraw/zinc/97/81/40/342978140.db2.gz HLUCIQJFKNSPBK-LURJTMIESA-N 0 0 211.062 2.471 10 0 BEAERN CN1c2ccccc2[C@@H](n2cccc2)C1=O ZINC000034543946 346911819 /nfs/dbraw/zinc/91/18/19/346911819.db2.gz TZXLCYBLLJKJGZ-GFCCVEGCSA-N 0 0 212.252 2.054 10 0 BEAERN C[C@@]1(C(=O)[O-])CCC[C@H]1[NH+]1CCCCC1 ZINC000134917884 343000775 /nfs/dbraw/zinc/00/07/75/343000775.db2.gz ANAVDOVEEIHXSE-ZYHUDNBSSA-N 0 0 211.305 2.116 10 0 BEAERN CC(=O)OC1=C[C@@H](OC(C)=O)[C@H]2C[C@@H]1C2(C)C ZINC000036449569 343002695 /nfs/dbraw/zinc/00/26/95/343002695.db2.gz YFJDGZZRPOYOFP-OUAUKWLOSA-N 0 0 238.283 2.041 10 0 BEAERN CCOC(=O)c1cc(N)ccc1C(F)(F)F ZINC000260712492 349760056 /nfs/dbraw/zinc/76/00/56/349760056.db2.gz VVRPWCMJGMXHKV-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN COC(=O)[C@@H]1CC[C@@H](c2ccccc2Cl)N1 ZINC000117841132 343018796 /nfs/dbraw/zinc/01/87/96/343018796.db2.gz FJGSPUSDFJFLDO-QWRGUYRKSA-N 0 0 239.702 2.306 10 0 BEAERN CCOC(=O)[C@H](C)c1ccnc(Cl)c1 ZINC000117691148 343012607 /nfs/dbraw/zinc/01/26/07/343012607.db2.gz ZUCIZCBNFDGLAA-SSDOTTSWSA-N 0 0 213.664 2.402 10 0 BEAERN COC(=O)c1csc(N[C@@H]2CC2(C)C)n1 ZINC000167739527 346918099 /nfs/dbraw/zinc/91/80/99/346918099.db2.gz PPAOEVPJNVOBIZ-SSDOTTSWSA-N 0 0 226.301 2.140 10 0 BEAERN C[C@@H]1CC[C@@H](C)N1Cc1nnc(C2CC2)n1C ZINC000177092231 346921680 /nfs/dbraw/zinc/92/16/80/346921680.db2.gz ITQKJGFJCDOPOY-NXEZZACHSA-N 0 0 234.347 2.065 10 0 BEAERN C[C@](O)(c1cccc(O)c1)C(F)(F)F ZINC000043368165 343057740 /nfs/dbraw/zinc/05/77/40/343057740.db2.gz CQMXLKPJCSHSOD-QMMMGPOBSA-N 0 0 206.163 2.162 10 0 BEAERN O[C@H](Cc1nccs1)C(Cl)(Cl)Cl ZINC000022199926 343043975 /nfs/dbraw/zinc/04/39/75/343043975.db2.gz OTNJVVKKKLZWJX-SCSAIBSYSA-N 0 0 246.546 2.417 10 0 BEAERN O[C@@H](c1ccncc1Cl)C1CCOCC1 ZINC000118887894 343059545 /nfs/dbraw/zinc/05/95/45/343059545.db2.gz GGURTCNQWRYDKR-LLVKDONJSA-N 0 0 227.691 2.195 10 0 BEAERN CCOC(=O)[C@H](C)Cc1ccc(O)cc1 ZINC000118890784 343059779 /nfs/dbraw/zinc/05/97/79/343059779.db2.gz PGFGDJRYGGZGOE-SECBINFHSA-N 0 0 208.257 2.134 10 0 BEAERN CC(C)(C)OC(=O)[C@@H]1Cc2ccc(O)cc2N1 ZINC000584882076 343079932 /nfs/dbraw/zinc/07/99/32/343079932.db2.gz KRRQSKVPYZSQLX-NSHDSACASA-N 0 0 235.283 2.071 10 0 BEAERN COC1=NCCCC[C@@H]1C1CCOCC1 ZINC000584880022 343080290 /nfs/dbraw/zinc/08/02/90/343080290.db2.gz SMOSJIORUHBOMN-LLVKDONJSA-N 0 0 211.305 2.258 10 0 BEAERN COC1=NCCCC[C@H]1C1CCOCC1 ZINC000584880023 343080377 /nfs/dbraw/zinc/08/03/77/343080377.db2.gz SMOSJIORUHBOMN-NSHDSACASA-N 0 0 211.305 2.258 10 0 BEAERN O=Cc1cnc2cnc(-c3cccs3)cn12 ZINC000584880899 343081493 /nfs/dbraw/zinc/08/14/93/343081493.db2.gz QVFNNBQTGOSMQE-UHFFFAOYSA-N 0 0 229.264 2.270 10 0 BEAERN Nc1ccc(-c2c(F)cccc2C=O)cn1 ZINC000584880906 343081704 /nfs/dbraw/zinc/08/17/04/343081704.db2.gz RFZKMYSKMXYOFF-UHFFFAOYSA-N 0 0 216.215 2.113 10 0 BEAERN CCOC(=O)[C@@H]1Cc2ccc(CC)cc2N1 ZINC000584881715 343082688 /nfs/dbraw/zinc/08/26/88/343082688.db2.gz NOGZNAGXKXAYFJ-LBPRGKRZSA-N 0 0 219.284 2.149 10 0 BEAERN COc1cc(-c2ccc(C=O)nc2)sn1 ZINC000584881713 343082788 /nfs/dbraw/zinc/08/27/88/343082788.db2.gz NMHPVFIBBGKZSL-UHFFFAOYSA-N 0 0 220.253 2.026 10 0 BEAERN CCNc1c(N)cnc2c(F)c(F)c(F)cc21 ZINC000584882387 343084553 /nfs/dbraw/zinc/08/45/53/343084553.db2.gz FPQYZMZVLJPRIY-UHFFFAOYSA-N 0 0 241.216 2.088 10 0 BEAERN Nc1cnc2cc(F)c(Cl)cc2c1N ZINC000584882817 343085555 /nfs/dbraw/zinc/08/55/55/343085555.db2.gz UGCGUVRVPMWLTH-UHFFFAOYSA-N 0 0 211.627 2.022 10 0 BEAERN CCNc1c(N)cnc2c(OC)cccc21 ZINC000584882912 343085586 /nfs/dbraw/zinc/08/55/86/343085586.db2.gz ZZVVPGRHDPAAFY-UHFFFAOYSA-N 0 0 217.272 2.257 10 0 BEAERN CNc1c(N)cnc2c(Cl)ccc(F)c21 ZINC000584882866 343085600 /nfs/dbraw/zinc/08/56/00/343085600.db2.gz XMVPQZXBVIMKRP-UHFFFAOYSA-N 0 0 225.654 2.073 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1ncc(Cl)s1 ZINC000306668903 362028504 /nfs/dbraw/zinc/02/85/04/362028504.db2.gz GHPJZCCPSDAAAO-PHDIDXHHSA-N 0 0 218.709 2.386 10 0 BEAERN CC[C@]1(C(=O)OC)N[C@H](C)Cc2ccsc21 ZINC000584883888 343086782 /nfs/dbraw/zinc/08/67/82/343086782.db2.gz VVGIFFHRQLQPIK-PELKAZGASA-N 0 0 239.340 2.061 10 0 BEAERN CC(C)(C)c1n[nH]c(COc2ccccc2N)n1 ZINC000072237501 343088623 /nfs/dbraw/zinc/08/86/23/343088623.db2.gz YOMVIFOPEBGDFH-UHFFFAOYSA-N 0 0 246.314 2.263 10 0 BEAERN C[C@H]1CCCC[C@H]1CNC(=O)n1ccnc1 ZINC000042866411 362034482 /nfs/dbraw/zinc/03/44/82/362034482.db2.gz ONMULJJWDJXZAM-QWRGUYRKSA-N 0 0 221.304 2.267 10 0 BEAERN COCCc1nc(Cl)c(C)c(Cl)n1 ZINC000082473929 343075037 /nfs/dbraw/zinc/07/50/37/343075037.db2.gz ZVFXYPWAKYMDQC-UHFFFAOYSA-N 0 0 221.087 2.281 10 0 BEAERN CCCN(CC)c1ccc([C@H](C)O)cn1 ZINC000124904673 343075656 /nfs/dbraw/zinc/07/56/56/343075656.db2.gz LUZXWXOSXRRDSS-JTQLQIEISA-N 0 0 208.305 2.371 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc(OC)c1N ZINC000383207985 362012690 /nfs/dbraw/zinc/01/26/90/362012690.db2.gz WZYGBXNKNUOATH-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN C[C@H](O)c1ccc(N)c(Br)c1 ZINC000141600438 343096576 /nfs/dbraw/zinc/09/65/76/343096576.db2.gz RVLYYPBZFVBKQE-YFKPBYRVSA-N 0 0 216.078 2.085 10 0 BEAERN CCOC(OCC)C(=O)CCC(C)C ZINC000043504089 343100337 /nfs/dbraw/zinc/10/03/37/343100337.db2.gz IDRCPMPPYBNSQR-UHFFFAOYSA-N 0 0 202.294 2.391 10 0 BEAERN C[C@H](C(=O)N1CC[C@@H](O)C[C@H]1C)C(C)(C)C ZINC000640803480 362051030 /nfs/dbraw/zinc/05/10/30/362051030.db2.gz WQWOHOWZAJQAOM-GMTAPVOTSA-N 0 0 227.348 2.040 10 0 BEAERN Cc1ccc2c(c1)CC[C@@H]1CC(=O)CCN21 ZINC000013911079 343107282 /nfs/dbraw/zinc/10/72/82/343107282.db2.gz QZQDAVNKWYDXLA-GFCCVEGCSA-N 0 0 215.296 2.479 10 0 BEAERN CC1(C)C(=O)N[C@H]1CCc1ccccc1 ZINC000038951387 343111854 /nfs/dbraw/zinc/11/18/54/343111854.db2.gz HCVKIJMGMIDCSD-NSHDSACASA-N 0 0 203.285 2.144 10 0 BEAERN CC[C@@H](NN)c1ccc(Cl)c(F)c1 ZINC000233893032 343115072 /nfs/dbraw/zinc/11/50/72/343115072.db2.gz GAMLVPVYZAAYFH-SECBINFHSA-N 0 0 202.660 2.394 10 0 BEAERN CCOC(=O)C(C)(C)c1cccc(C=O)c1 ZINC000145036805 343145675 /nfs/dbraw/zinc/14/56/75/343145675.db2.gz SNNJIZPCFBUTTF-UHFFFAOYSA-N 0 0 220.268 2.340 10 0 BEAERN Cc1ccc(C)c([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000083011541 178498019 /nfs/dbraw/zinc/49/80/19/178498019.db2.gz GZJZWIFWFXHNBV-RYUDHWBXSA-N 0 0 219.284 2.181 10 0 BEAERN O[C@@H]1CCCn2cc(-c3ccccc3)nc21 ZINC000259471955 343130017 /nfs/dbraw/zinc/13/00/17/343130017.db2.gz MRKIKANEYFPRBF-GFCCVEGCSA-N 0 0 214.268 2.377 10 0 BEAERN Cc1ccsc1[C@H]1NC(=O)[C@@H]2CCCCN21 ZINC000124839928 136271439 /nfs/dbraw/zinc/27/14/39/136271439.db2.gz HVBJPPXGSOFAKJ-ONGXEEELSA-N 0 0 236.340 2.039 10 0 BEAERN O=c1ncc(-c2ccc(F)c(Cl)c2)c[nH]1 ZINC000065344697 343137976 /nfs/dbraw/zinc/13/79/76/343137976.db2.gz OVBLQZDZSBRRTP-UHFFFAOYSA-N 0 0 224.622 2.229 10 0 BEAERN CC1=C[C@H](OC(=O)Nc2ccccc2)OC1=O ZINC000165324246 343140168 /nfs/dbraw/zinc/14/01/68/343140168.db2.gz AMJJATKBZHUTSP-JTQLQIEISA-N 0 0 233.223 2.064 10 0 BEAERN CC1=C[C@@H](OC(=O)Nc2ccccc2)OC1=O ZINC000165324122 343140443 /nfs/dbraw/zinc/14/04/43/343140443.db2.gz AMJJATKBZHUTSP-SNVBAGLBSA-N 0 0 233.223 2.064 10 0 BEAERN S=C1N=NCN1c1ccc(Cl)cc1 ZINC000020583049 343140494 /nfs/dbraw/zinc/14/04/94/343140494.db2.gz WJYWTGBNMNSTTM-UHFFFAOYSA-N 0 0 211.677 2.209 10 0 BEAERN CCOC(=O)c1cc(C2CC2)nnc1Cl ZINC000259973277 343140684 /nfs/dbraw/zinc/14/06/84/343140684.db2.gz ITHFDWNDIYOINO-UHFFFAOYSA-N 0 0 226.663 2.184 10 0 BEAERN CC(C)Cn1c(=O)ccc2c1CCCC2=O ZINC000036426715 343142995 /nfs/dbraw/zinc/14/29/95/343142995.db2.gz LVLNABQWVRXLIR-UHFFFAOYSA-N 0 0 219.284 2.023 10 0 BEAERN CC(=O)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000037947284 343145009 /nfs/dbraw/zinc/14/50/09/343145009.db2.gz NHFRZBQSUNGUJB-QMMMGPOBSA-N 0 0 207.229 2.362 10 0 BEAERN COC[C@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000150738222 136273558 /nfs/dbraw/zinc/27/35/58/136273558.db2.gz DNVLZOUBZBECJJ-NSHDSACASA-N 0 0 227.348 2.211 10 0 BEAERN CCC1(C(=O)N2CCC[C@H](O)[C@@H]2C)CCCC1 ZINC000336233800 168429293 /nfs/dbraw/zinc/42/92/93/168429293.db2.gz MKAOXKMGSWYLIK-RYUDHWBXSA-N 0 0 239.359 2.329 10 0 BEAERN CC[C@@](C)(O)C(=O)c1ccc(F)c(F)c1 ZINC000233960694 343214200 /nfs/dbraw/zinc/21/42/00/343214200.db2.gz DBJXQZBURCNNGA-LLVKDONJSA-N 0 0 214.211 2.309 10 0 BEAERN O=C([O-])c1ccccc1NCC[NH+]1CCCCC1 ZINC000050913372 343221305 /nfs/dbraw/zinc/22/13/05/343221305.db2.gz GGWWTYDQFCZUEL-UHFFFAOYSA-N 0 0 248.326 2.283 10 0 BEAERN COC(=O)c1ccc2nccc(OC)c2c1 ZINC000165732379 343228563 /nfs/dbraw/zinc/22/85/63/343228563.db2.gz CFUOBHCSMKZGKO-UHFFFAOYSA-N 0 0 217.224 2.030 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC(C)(C)C2)O1 ZINC000162540603 136277601 /nfs/dbraw/zinc/27/76/01/136277601.db2.gz KMYJSSOJPUWASU-GMTAPVOTSA-N 0 0 225.332 2.249 10 0 BEAERN CC(C)[C@H]1O[C@H]1C(=O)Nc1ccccc1 ZINC000238181803 343251529 /nfs/dbraw/zinc/25/15/29/343251529.db2.gz FSFUNKDIHWVJHK-GHMZBOCLSA-N 0 0 205.257 2.049 10 0 BEAERN Nc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1 ZINC000033420471 343253789 /nfs/dbraw/zinc/25/37/89/343253789.db2.gz FDVBXYYRRHGGSA-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN CCCCCC[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1 ZINC000033986529 343263241 /nfs/dbraw/zinc/26/32/41/343263241.db2.gz MVSOKKKPBUGRQS-MNOVXSKESA-N 0 0 241.331 2.167 10 0 BEAERN C=Cc1ccc2sc(S(N)(=O)=O)cc2c1 ZINC000034187999 343266003 /nfs/dbraw/zinc/26/60/03/343266003.db2.gz GSPGECZEALQGLT-UHFFFAOYSA-N 0 0 239.321 2.192 10 0 BEAERN CCO/C=C/C(=O)C(F)(F)Br ZINC000034550283 343274622 /nfs/dbraw/zinc/27/46/22/343274622.db2.gz IJKFVLQFHXEEEK-ONEGZZNKSA-N 0 0 229.020 2.093 10 0 BEAERN COC(=O)CCCCC(=O)Nc1ccccc1 ZINC000034584086 343275323 /nfs/dbraw/zinc/27/53/23/343275323.db2.gz LIAMKASWBBQJGD-UHFFFAOYSA-N 0 0 235.283 2.359 10 0 BEAERN COC[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C1CC1 ZINC000121770257 343276640 /nfs/dbraw/zinc/27/66/40/343276640.db2.gz NTDZJQDODBHZIP-MWLCHTKSSA-N 0 0 242.363 2.145 10 0 BEAERN Cc1cc(C)c(Cc2cnc(N)nc2N)c(C)c1 ZINC000139084464 343277465 /nfs/dbraw/zinc/27/74/65/343277465.db2.gz CABZBJCIRLAECW-UHFFFAOYSA-N 0 0 242.326 2.157 10 0 BEAERN COc1nc(Br)cc2ccn(C)c21 ZINC000217495293 343279242 /nfs/dbraw/zinc/27/92/42/343279242.db2.gz INCKMDSNFSNQRR-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN Brc1nn2c3c(nc2s1)CCC3 ZINC000034976310 343282235 /nfs/dbraw/zinc/28/22/35/343282235.db2.gz JATJURWXMZAISO-UHFFFAOYSA-N 0 0 244.117 2.042 10 0 BEAERN CCOC(=O)c1cc(C)c(C(F)(F)F)nc1N ZINC000146887480 343318567 /nfs/dbraw/zinc/31/85/67/343318567.db2.gz YEHFWKQZWCNZMS-UHFFFAOYSA-N 0 0 248.204 2.168 10 0 BEAERN O=C(C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000036448678 343318609 /nfs/dbraw/zinc/31/86/09/343318609.db2.gz UJZLNAJJSSATAN-NEPJUHHUSA-N 0 0 204.269 2.420 10 0 BEAERN CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000036756563 343323825 /nfs/dbraw/zinc/32/38/25/343323825.db2.gz GTNHBJPFLNXZBQ-SECBINFHSA-N 0 0 238.674 2.175 10 0 BEAERN O=Cc1cccn1-c1ccc2c(c1)OCCCO2 ZINC000035431250 343296998 /nfs/dbraw/zinc/29/69/98/343296998.db2.gz IRYVBKXPWCSBCL-UHFFFAOYSA-N 0 0 243.262 2.451 10 0 BEAERN COC(=O)c1ncc(C)cc1OC(F)(F)F ZINC000309347669 343303038 /nfs/dbraw/zinc/30/30/38/343303038.db2.gz ZMERHTPGCGVAIV-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CCOC(=O)c1cnn(C)c1Oc1ccccc1 ZINC000146694439 343305907 /nfs/dbraw/zinc/30/59/07/343305907.db2.gz XBFZPDLZQPZYMR-UHFFFAOYSA-N 0 0 246.266 2.389 10 0 BEAERN COC(=O)c1ccc(C(=O)C(F)F)c(C)c1 ZINC000309369728 343333041 /nfs/dbraw/zinc/33/30/41/343333041.db2.gz RDMXSCIPTSBIPX-UHFFFAOYSA-N 0 0 228.194 2.229 10 0 BEAERN COC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000165430059 343314495 /nfs/dbraw/zinc/31/44/95/343314495.db2.gz OBDBIGIZZFUUNE-UHFFFAOYSA-N 0 0 248.065 2.105 10 0 BEAERN Cc1ccc(C2=NNC(=N)S[C@@H]2C)cc1C ZINC000040537937 178513201 /nfs/dbraw/zinc/51/32/01/178513201.db2.gz IOSLZXVDRIKSKW-SECBINFHSA-N 0 0 233.340 2.458 10 0 BEAERN CC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000201288441 343374598 /nfs/dbraw/zinc/37/45/98/343374598.db2.gz AHUKGAQPRCVYSE-SECBINFHSA-N 0 0 218.174 2.328 10 0 BEAERN CC[C@](C)(O)C(=O)c1ccc(F)cc1C ZINC000234083150 343335157 /nfs/dbraw/zinc/33/51/57/343335157.db2.gz QTRSNTNVXWOYPQ-LBPRGKRZSA-N 0 0 210.248 2.478 10 0 BEAERN CN(CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000037334311 343343462 /nfs/dbraw/zinc/34/34/62/343343462.db2.gz PBPCGQFXHVALKN-UHFFFAOYSA-N 0 0 228.295 2.445 10 0 BEAERN Nc1ccc2cc(-c3ccncc3)cnc2n1 ZINC000037593675 343348611 /nfs/dbraw/zinc/34/86/11/343348611.db2.gz MTLDOXOYDBVKCQ-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000037666726 343350743 /nfs/dbraw/zinc/35/07/43/343350743.db2.gz YNSUTJWETGXLIS-UHFFFAOYSA-N 0 0 208.158 2.382 10 0 BEAERN CCc1cc(O)c2c(=O)cc(OC)cc-2o1 ZINC000039098310 343382433 /nfs/dbraw/zinc/38/24/33/343382433.db2.gz OCZDBBLBUHBUAH-UHFFFAOYSA-N 0 0 220.224 2.070 10 0 BEAERN CCCc1cc(=O)[nH]c(NC2CCCC2)n1 ZINC000041603747 343422210 /nfs/dbraw/zinc/42/22/10/343422210.db2.gz JAKPWUJMZNWFCB-UHFFFAOYSA-N 0 0 221.304 2.077 10 0 BEAERN Cc1cn(CCc2ccccc2N)cn1 ZINC000039118771 343385460 /nfs/dbraw/zinc/38/54/60/343385460.db2.gz FUIOUEHNAKUQPR-UHFFFAOYSA-N 0 0 201.273 2.016 10 0 BEAERN COC(=O)c1nn(C(C)C)c2ccccc12 ZINC000039169794 343386696 /nfs/dbraw/zinc/38/66/96/343386696.db2.gz YGAMTVAJKORPIZ-UHFFFAOYSA-N 0 0 218.256 2.404 10 0 BEAERN Cc1nc[nH]c1CCCOCc1ccncc1 ZINC000201646029 343389578 /nfs/dbraw/zinc/38/95/78/343389578.db2.gz ASDVHPWEGXWDBU-UHFFFAOYSA-N 0 0 231.299 2.263 10 0 BEAERN COc1ccc2c(Cl)cc(CO)nc2c1 ZINC000148460867 343392247 /nfs/dbraw/zinc/39/22/47/343392247.db2.gz BHDVAHIDZDIDQE-UHFFFAOYSA-N 0 0 223.659 2.389 10 0 BEAERN CCCCC1(CCCC)CC(=O)N(C)C(N)=N1 ZINC000201954068 343392734 /nfs/dbraw/zinc/39/27/34/343392734.db2.gz GSWUKVGZDNTIKM-UHFFFAOYSA-N 0 0 239.363 2.282 10 0 BEAERN Cc1cn2cc(NC(=O)C3CCC3)ccc2n1 ZINC000041306220 343418957 /nfs/dbraw/zinc/41/89/57/343418957.db2.gz HGIJYPHPWASXFI-UHFFFAOYSA-N 0 0 229.283 2.381 10 0 BEAERN NC(=O)c1ccc2oc3ccc(C=O)cc3c2c1 ZINC000202407879 343424917 /nfs/dbraw/zinc/42/49/17/343424917.db2.gz JKKWQZOZFISMBY-UHFFFAOYSA-N 0 0 239.230 2.497 10 0 BEAERN C[C@@H]1CCC(=O)N1Cc1ccccc1F ZINC000202500497 343430099 /nfs/dbraw/zinc/43/00/99/343430099.db2.gz AGCIOBFLHWLMTF-SECBINFHSA-N 0 0 207.248 2.337 10 0 BEAERN Cc1cc(O)ccc1-c1[nH]c(=O)cnc1C ZINC000149550272 343430743 /nfs/dbraw/zinc/43/07/43/343430743.db2.gz RAZSJIPMBVYYGJ-UHFFFAOYSA-N 0 0 216.240 2.172 10 0 BEAERN Cc1nc(C)c(NC(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000335709230 136336765 /nfs/dbraw/zinc/33/67/65/136336765.db2.gz AUJIBWXRKKMUJL-RCOVLWMOSA-N 0 0 240.328 2.266 10 0 BEAERN O=C(Nc1ccc(F)cn1)N1C[C@H]2CCC[C@@H]21 ZINC000335708671 136336916 /nfs/dbraw/zinc/33/69/16/136336916.db2.gz QNDHKTRJMJSPFB-SCZZXKLOSA-N 0 0 235.262 2.237 10 0 BEAERN O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCC12CCCC2 ZINC000335716272 136339494 /nfs/dbraw/zinc/33/94/94/136339494.db2.gz LZDKLJHWUZLBLA-QWRGUYRKSA-N 0 0 248.326 2.136 10 0 BEAERN COC(=O)Cc1cccc(O)c1C(F)(F)F ZINC000309426834 343436570 /nfs/dbraw/zinc/43/65/70/343436570.db2.gz DGXDYZWDIBJJCV-UHFFFAOYSA-N 0 0 234.173 2.127 10 0 BEAERN CC[C@H]1C[C@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000234136449 343446179 /nfs/dbraw/zinc/44/61/79/343446179.db2.gz ZJPHFWQLTUVDKE-CRCLSJGQSA-N 0 0 233.102 2.389 10 0 BEAERN Cc1ccc2oc(C3N=NC(=S)N3N)cc2c1 ZINC000042894017 343456602 /nfs/dbraw/zinc/45/66/02/343456602.db2.gz CXFZPSOLQNRQHU-UHFFFAOYSA-N 0 0 246.295 2.002 10 0 BEAERN CC[C@@H](OC)c1noc(Cc2ccc(O)cc2)n1 ZINC000157364319 133485014 /nfs/dbraw/zinc/48/50/14/133485014.db2.gz KOSJNLXOAJIYPA-LLVKDONJSA-N 0 0 248.282 2.464 10 0 BEAERN CC[C@H](Nc1ccc(C(=O)OC)nn1)C(C)C ZINC000042591027 343444991 /nfs/dbraw/zinc/44/49/91/343444991.db2.gz YEWVACVYFPRNOM-VIFPVBQESA-N 0 0 237.303 2.110 10 0 BEAERN COC(=O)C(=C([O-])c1ccccc1)C(C)C ZINC000043502448 343475712 /nfs/dbraw/zinc/47/57/12/343475712.db2.gz OFSPVPOCRMGQFE-LLVKDONJSA-N 0 0 220.268 2.315 10 0 BEAERN CC(=O)Oc1ccc(C(=O)C2CC2)cc1 ZINC000165493214 343482938 /nfs/dbraw/zinc/48/29/38/343482938.db2.gz TXPWMRIULRAPFI-UHFFFAOYSA-N 0 0 204.225 2.205 10 0 BEAERN CC[C@@H]1CCCN1C1N=NC(=S)S1 ZINC000044241437 343496448 /nfs/dbraw/zinc/49/64/48/343496448.db2.gz CHQUGVAVJPAOLV-ZCFIWIBFSA-N 0 0 215.347 2.206 10 0 BEAERN O=C(NC1CC2(CCC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000616564776 343507937 /nfs/dbraw/zinc/50/79/37/343507937.db2.gz JLODBUPBIWQOKV-JGPRNRPPSA-N 0 0 219.328 2.481 10 0 BEAERN CCOC(=O)c1cc(C2CCCC2)ncn1 ZINC000261129548 349814977 /nfs/dbraw/zinc/81/49/77/349814977.db2.gz LMZKYJUZIHIPPV-UHFFFAOYSA-N 0 0 220.272 2.311 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2cn[nH]c2)cc1F ZINC000094929743 343511114 /nfs/dbraw/zinc/51/11/14/343511114.db2.gz QXTQHIYWVXTIDB-VIFPVBQESA-N 0 0 247.273 2.348 10 0 BEAERN CN1Cc2sc(-c3cccnc3)nc2NC1=O ZINC000203248408 343519599 /nfs/dbraw/zinc/51/95/99/343519599.db2.gz JYTFNDMTVYHPJN-UHFFFAOYSA-N 0 0 246.295 2.182 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2ccncc2)C1 ZINC000616627404 343525673 /nfs/dbraw/zinc/52/56/73/343525673.db2.gz BBUZCSJCNXNLPY-CYBMUJFWSA-N 0 0 218.300 2.198 10 0 BEAERN CC(=O)N1CCCC[C@@H](C(F)(F)F)C1 ZINC000616629456 343527983 /nfs/dbraw/zinc/52/79/83/343527983.db2.gz MGNYSUHBJUHYQR-MRVPVSSYSA-N 0 0 209.211 2.197 10 0 BEAERN CNc1cccc([C@@H]2C[N@H+](C)CCCO2)c1 ZINC000616650881 343530925 /nfs/dbraw/zinc/53/09/25/343530925.db2.gz IBPCBFHEDNYVSX-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN COC(=O)N1C[C@H](F)Cc2ccccc21 ZINC000616670674 343535010 /nfs/dbraw/zinc/53/50/10/343535010.db2.gz PQJGPVIHSVOFBO-SECBINFHSA-N 0 0 209.220 2.154 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000132079779 343546811 /nfs/dbraw/zinc/54/68/11/343546811.db2.gz KJVALEGTLGQQGE-PWSUYJOCSA-N 0 0 225.332 2.345 10 0 BEAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCS1 ZINC000379531134 343571884 /nfs/dbraw/zinc/57/18/84/343571884.db2.gz CWFHULBLGHBLBB-WISYIIOYSA-N 0 0 239.384 2.387 10 0 BEAERN COc1ccccc1C[C@H](C)NNC(C)C ZINC000019167755 343554198 /nfs/dbraw/zinc/55/41/98/343554198.db2.gz VUAADOXGOAKYDT-NSHDSACASA-N 0 0 222.332 2.129 10 0 BEAERN CCCCOc1cncc(C(=O)OC)c1 ZINC000204312977 343564060 /nfs/dbraw/zinc/56/40/60/343564060.db2.gz ASCOINHSOSEFEB-UHFFFAOYSA-N 0 0 209.245 2.047 10 0 BEAERN O=C1OCCN1C1C2CC3CC(C2)CC1C3 ZINC000204373330 343565079 /nfs/dbraw/zinc/56/50/79/343565079.db2.gz QBTKFKZRZFOXMT-UHFFFAOYSA-N 0 0 221.300 2.263 10 0 BEAERN Cc1cc(O)ccc1CCCCc1c[nH]nn1 ZINC000204455530 343569090 /nfs/dbraw/zinc/56/90/90/343569090.db2.gz KUOYUUHRGCPTSV-UHFFFAOYSA-N 0 0 231.299 2.384 10 0 BEAERN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)[C@@H]2C(=O)[O-] ZINC000204771645 343590199 /nfs/dbraw/zinc/59/01/99/343590199.db2.gz SJXVXOFDCKAWDE-DGAVXFQQSA-N 0 0 245.322 2.338 10 0 BEAERN COCCOc1cc(C(F)(F)F)ccc1N ZINC000204846552 343595379 /nfs/dbraw/zinc/59/53/79/343595379.db2.gz FEEFCCTYDOYXER-UHFFFAOYSA-N 0 0 235.205 2.313 10 0 BEAERN CCc1nc(N)c2cc(Cl)ccc2n1 ZINC000234172811 343601379 /nfs/dbraw/zinc/60/13/79/343601379.db2.gz WKHINAGIKISKHZ-UHFFFAOYSA-N 0 0 207.664 2.428 10 0 BEAERN C[C@@]1(c2ccccc2)CCC(=O)CC1=O ZINC000168833106 343621554 /nfs/dbraw/zinc/62/15/54/343621554.db2.gz HQURQZNOZPXYME-ZDUSSCGKSA-N 0 0 202.253 2.266 10 0 BEAERN Cc1occc1CN(C)[C@@H]1CCCC1=O ZINC000050154194 343609887 /nfs/dbraw/zinc/60/98/87/343609887.db2.gz MPBUSZFPTJNOLS-LLVKDONJSA-N 0 0 207.273 2.141 10 0 BEAERN CCC(C)(C)Cn1nc(N)nc1Br ZINC000713206923 537797363 /nfs/dbraw/zinc/79/73/63/537797363.db2.gz KSDDXMCHBSGWDU-UHFFFAOYSA-N 0 0 247.140 2.059 10 0 BEAERN COC(=O)C1=C(O)CCc2c(OC)cccc21 ZINC000205702037 343645583 /nfs/dbraw/zinc/64/55/83/343645583.db2.gz JTOPLWHAEWQFDC-UHFFFAOYSA-N 0 0 234.251 2.084 10 0 BEAERN CC(C)(C)Cn1cc(Br)c(N)n1 ZINC000713199105 537797665 /nfs/dbraw/zinc/79/76/65/537797665.db2.gz ACRIEXYMHDWNRZ-UHFFFAOYSA-N 0 0 232.125 2.274 10 0 BEAERN CCc1csc([C@@H]2CSCCN2C)n1 ZINC000234198503 343647958 /nfs/dbraw/zinc/64/79/58/343647958.db2.gz WEXBRRBDGAEHAD-VIFPVBQESA-N 0 0 228.386 2.425 10 0 BEAERN CCc1ccc(-c2c(N)cnn2C)cc1 ZINC000020267353 343628091 /nfs/dbraw/zinc/62/80/91/343628091.db2.gz MRRUFMWITPEPSB-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN COC(=O)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000196164963 343629295 /nfs/dbraw/zinc/62/92/95/343629295.db2.gz DFBMJXVWTOVDRY-UHFFFAOYSA-N 0 0 236.267 2.047 10 0 BEAERN CCCOc1cccc2c1O[C@@H](C)C2=O ZINC000043633228 343631940 /nfs/dbraw/zinc/63/19/40/343631940.db2.gz WXMNQZILZDEPNC-QMMMGPOBSA-N 0 0 206.241 2.439 10 0 BEAERN CCOC(=O)/C=C/c1ccc(F)cc1C=O ZINC000198781700 343676163 /nfs/dbraw/zinc/67/61/63/343676163.db2.gz SJWLROHSVSWHAX-GQCTYLIASA-N 0 0 222.215 2.215 10 0 BEAERN CC[C@@H]1CC[C@]2(C1)O[C@]2(Cl)C(=O)OC ZINC000300033134 537801447 /nfs/dbraw/zinc/80/14/47/537801447.db2.gz WPGCOQAXCKFZHO-SZEHBUNVSA-N 0 0 218.680 2.074 10 0 BEAERN CC[C@@H]1Cc2cc(OC)c(OC)cc2C=N1 ZINC000261304813 349827807 /nfs/dbraw/zinc/82/78/07/349827807.db2.gz IBWTYWVRKRDLGX-LLVKDONJSA-N 0 0 219.284 2.457 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CCC[C@H](C)C2 ZINC000300026629 537801944 /nfs/dbraw/zinc/80/19/44/537801944.db2.gz JWPZGVPSEGFLOH-SFGNSQDASA-N 0 0 218.680 2.074 10 0 BEAERN COC(=O)C[C@H](CF)c1ccccc1O ZINC000261329955 349828208 /nfs/dbraw/zinc/82/82/08/349828208.db2.gz SQWWOXJVEVDMDH-MRVPVSSYSA-N 0 0 212.220 2.008 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CC[C@H](C)C[C@@H]2C ZINC000300029498 537802228 /nfs/dbraw/zinc/80/22/28/537802228.db2.gz OSJFJDMRFJJURS-UUTMEEIUSA-N 0 0 232.707 2.320 10 0 BEAERN O=C(CCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1 ZINC000077102763 343665781 /nfs/dbraw/zinc/66/57/81/343665781.db2.gz KJTYDYJPXRBMPW-ZIAGYGMSSA-N 0 0 247.338 2.039 10 0 BEAERN Brc1csc(Cn2cncn2)c1 ZINC000043687404 343700630 /nfs/dbraw/zinc/70/06/30/343700630.db2.gz PIPJNTGRYHUAPH-UHFFFAOYSA-N 0 0 244.117 2.150 10 0 BEAERN Nc1ccc(Br)c(-c2ncno2)c1 ZINC000230716056 346956416 /nfs/dbraw/zinc/95/64/16/346956416.db2.gz WIBWNJZLOOOARI-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN O=CC(=O)c1ccc(Br)cc1Cl ZINC000135067584 343709397 /nfs/dbraw/zinc/70/93/97/343709397.db2.gz PHERFOKUUBWYQF-UHFFFAOYSA-N 0 0 247.475 2.484 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@H](C)[C@@H]2C ZINC000300022961 537802492 /nfs/dbraw/zinc/80/24/92/537802492.db2.gz BYNXMEHCICKOBH-UUTMEEIUSA-N 0 0 232.707 2.320 10 0 BEAERN CC[C@@H]1CCC[C@]2(C1)O[C@]2(Cl)C(=O)OC ZINC000300032153 537802649 /nfs/dbraw/zinc/80/26/49/537802649.db2.gz UVFFBHCJHZTPLG-FBIMIBRVSA-N 0 0 232.707 2.464 10 0 BEAERN Cc1cnn2c1NCC[C@@H]2[C@@H]1CC[C@H](C)O1 ZINC000300014808 537802896 /nfs/dbraw/zinc/80/28/96/537802896.db2.gz CARYNJNOXRIHDV-AXFHLTTASA-N 0 0 221.304 2.116 10 0 BEAERN CCOC(=O)c1cccc(OC(F)(F)F)n1 ZINC000309553314 343745339 /nfs/dbraw/zinc/74/53/39/343745339.db2.gz LEVGVQHIMSSQSO-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN NNc1ccnc2c(F)ccc(Cl)c12 ZINC000051151922 346962962 /nfs/dbraw/zinc/96/29/62/346962962.db2.gz ODVCXPNGUQUFOA-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN CC(=O)c1ccc(-c2nccn2C)cc1 ZINC000069028031 537806461 /nfs/dbraw/zinc/80/64/61/537806461.db2.gz PPCHYTVEYVSXSE-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000127338698 343723546 /nfs/dbraw/zinc/72/35/46/343723546.db2.gz FGTOTTXVAQEOTR-MNOVXSKESA-N 0 0 221.300 2.469 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000127339116 343723588 /nfs/dbraw/zinc/72/35/88/343723588.db2.gz FGTOTTXVAQEOTR-GHMZBOCLSA-N 0 0 221.300 2.469 10 0 BEAERN OC[C@@H](Nc1cc(Cl)ncn1)c1ccccc1 ZINC000063012021 343747509 /nfs/dbraw/zinc/74/75/09/343747509.db2.gz VZEDPCYEZYWAHI-SNVBAGLBSA-N 0 0 249.701 2.276 10 0 BEAERN Nn1ccc(Cl)c1C(=O)Nc1ccccc1 ZINC000208341045 343757955 /nfs/dbraw/zinc/75/79/55/343757955.db2.gz PFLUXAKYVAPXKQ-UHFFFAOYSA-N 0 0 235.674 2.108 10 0 BEAERN Fc1cccc(F)c1[C@@H]1NCCS1 ZINC000050522674 343781846 /nfs/dbraw/zinc/78/18/46/343781846.db2.gz YYTVPWITSVTLDA-SECBINFHSA-N 0 0 201.241 2.300 10 0 BEAERN Cc1ccc(Cn2cnc(C=O)c2)cc1 ZINC000107368483 343785737 /nfs/dbraw/zinc/78/57/37/343785737.db2.gz NERIVIFURBAUSV-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN Nc1cc(-c2cncc(F)c2)nc(C2CC2)n1 ZINC000126784739 343786653 /nfs/dbraw/zinc/78/66/53/343786653.db2.gz XRQZQOORGCHMSC-UHFFFAOYSA-N 0 0 230.246 2.137 10 0 BEAERN COC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961068 343789296 /nfs/dbraw/zinc/78/92/96/343789296.db2.gz RKKOSVPJLHXSNR-SNVBAGLBSA-N 0 0 230.267 2.284 10 0 BEAERN COC(=O)[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961067 343789361 /nfs/dbraw/zinc/78/93/61/343789361.db2.gz RKKOSVPJLHXSNR-JTQLQIEISA-N 0 0 230.267 2.284 10 0 BEAERN COC[C@H]1CCCCN1c1cc(Cl)ncn1 ZINC000307763980 343790124 /nfs/dbraw/zinc/79/01/24/343790124.db2.gz KQPSIYZQQRPECP-SECBINFHSA-N 0 0 241.722 2.135 10 0 BEAERN O=c1cc(CCc2ccccc2)[nH]c(=S)[nH]1 ZINC000309366148 343790530 /nfs/dbraw/zinc/79/05/30/343790530.db2.gz OVJRYRSIWUSVPL-UHFFFAOYSA-N 0 0 232.308 2.256 10 0 BEAERN COc1ccccc1-c1cc(=O)[nH]c(SC)n1 ZINC000196577853 343791535 /nfs/dbraw/zinc/79/15/35/343791535.db2.gz CRQYFNBRFZKXHG-UHFFFAOYSA-N 0 0 248.307 2.167 10 0 BEAERN O=C1C[C@@H](c2ccccc2Cl)CCN1 ZINC000210725666 343792085 /nfs/dbraw/zinc/79/20/85/343792085.db2.gz MJKXDWSLNQKDCV-QMMMGPOBSA-N 0 0 209.676 2.334 10 0 BEAERN COC(=O)c1c[nH]c(-c2ccc(C)s2)n1 ZINC000051170995 346976339 /nfs/dbraw/zinc/97/63/39/346976339.db2.gz SMDFDEAJGSAUMR-UHFFFAOYSA-N 0 0 222.269 2.233 10 0 BEAERN Cc1ccc(-c2ccc(C=O)s2)nn1 ZINC000238557045 343795881 /nfs/dbraw/zinc/79/58/81/343795881.db2.gz MZBIDWNLPGSIIS-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CC(C)Cn1nc(-c2cccnc2)cc1N ZINC000238195413 343796222 /nfs/dbraw/zinc/79/62/22/343796222.db2.gz FDMCFAGZVPZGCB-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN COc1cc(C(F)F)cc(OC)c1O ZINC000409426711 343798483 /nfs/dbraw/zinc/79/84/83/343798483.db2.gz RRGAXBCECFIHGC-UHFFFAOYSA-N 0 0 204.172 2.347 10 0 BEAERN Nc1ccccc1N1CCOC[C@@H]2CCC[C@@H]21 ZINC000409426551 343798600 /nfs/dbraw/zinc/79/86/00/343798600.db2.gz FKXKHBQBCPRPOD-AAEUAGOBSA-N 0 0 232.327 2.274 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000409427146 343800272 /nfs/dbraw/zinc/80/02/72/343800272.db2.gz HREFKYSMHFBDLD-NEPJUHHUSA-N 0 0 234.299 2.082 10 0 BEAERN CC(C)N(C(=O)[C@H]1CCCO[C@@H]1C)C(C)C ZINC000191897344 534953155 /nfs/dbraw/zinc/95/31/55/534953155.db2.gz JPAOZRNHVZFBBG-NEPJUHHUSA-N 0 0 227.348 2.447 10 0 BEAERN Clc1cc(NC2CCOCC2)c(Cl)nn1 ZINC000127157035 343828125 /nfs/dbraw/zinc/82/81/25/343828125.db2.gz UMEFNQALOORSQH-UHFFFAOYSA-N 0 0 248.113 2.374 10 0 BEAERN FC(F)(F)c1ccn2c(Cl)nnc2c1 ZINC000238595263 537819053 /nfs/dbraw/zinc/81/90/53/537819053.db2.gz FGQOQSORPSQXRS-UHFFFAOYSA-N 0 0 221.569 2.402 10 0 BEAERN O=c1cc(Cc2ccccc2Cl)nc[nH]1 ZINC000409432857 343828198 /nfs/dbraw/zinc/82/81/98/343828198.db2.gz YIMDOCYTMUULLQ-UHFFFAOYSA-N 0 0 220.659 2.426 10 0 BEAERN Cc1oncc1-c1cc(=O)[nH]c(C2CC2)n1 ZINC000409430054 343807111 /nfs/dbraw/zinc/80/71/11/343807111.db2.gz KOMZWIARJLZLSH-UHFFFAOYSA-N 0 0 217.228 2.023 10 0 BEAERN CCOc1c(OC)cccc1C(=O)NC(C)C ZINC000025493576 344039487 /nfs/dbraw/zinc/03/94/87/344039487.db2.gz ZCYYZVWUUQQSBL-UHFFFAOYSA-N 0 0 237.299 2.232 10 0 BEAERN CCN(c1ccc(=O)[nH]n1)C1CCCCC1 ZINC000409430394 343807955 /nfs/dbraw/zinc/80/79/55/343807955.db2.gz VNEXPHUPKSQIOG-UHFFFAOYSA-N 0 0 221.304 2.341 10 0 BEAERN Brc1cc([C@@H]2CCCO2)ncn1 ZINC000409430755 343809240 /nfs/dbraw/zinc/80/92/40/343809240.db2.gz NBPIPGPMVYQPFM-ZETCQYMHSA-N 0 0 229.077 2.091 10 0 BEAERN COC[C@@H]1CCCCN1c1ccccc1N ZINC000396009646 343810870 /nfs/dbraw/zinc/81/08/70/343810870.db2.gz QQNVQMJBIWWXAE-NSHDSACASA-N 0 0 220.316 2.274 10 0 BEAERN CCc1n[nH]c(C2CCCC2)c1C(=O)OC ZINC000409440590 343853080 /nfs/dbraw/zinc/85/30/80/343853080.db2.gz NKMMHEQDNBPGGX-UHFFFAOYSA-N 0 0 222.288 2.416 10 0 BEAERN CC(C)c1[nH]nc(-c2ccccn2)c1CCO ZINC000409440701 343853658 /nfs/dbraw/zinc/85/36/58/343853658.db2.gz NZYWZKOMAWDFGK-UHFFFAOYSA-N 0 0 231.299 2.130 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(C)(F)F)C1 ZINC000409433397 343832703 /nfs/dbraw/zinc/83/27/03/343832703.db2.gz YEEPSCZVBTUDQZ-BDAKNGLRSA-N 0 0 235.274 2.217 10 0 BEAERN O=C([O-])c1ccc(C23CCC[NH+]2CCC3)cc1 ZINC000409434578 343834156 /nfs/dbraw/zinc/83/41/56/343834156.db2.gz YBVLHQAAMGABGB-UHFFFAOYSA-N 0 0 231.295 2.470 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](CC)C1CCSCC1 ZINC000409435953 343836392 /nfs/dbraw/zinc/83/63/92/343836392.db2.gz XLURHAIZYMJCTN-JTQLQIEISA-N 0 0 231.361 2.067 10 0 BEAERN Nc1ccccc1N1CCn2c(Cl)cnc2C1 ZINC000409435860 343839839 /nfs/dbraw/zinc/83/98/39/343839839.db2.gz WYXHTKNVWXYWSA-UHFFFAOYSA-N 0 0 248.717 2.139 10 0 BEAERN c1ccc(-c2n[nH]c3c2CSCC3)nc1 ZINC000409436779 343841179 /nfs/dbraw/zinc/84/11/79/343841179.db2.gz ALCCTJWIGMYBEE-UHFFFAOYSA-N 0 0 217.297 2.261 10 0 BEAERN OCc1cn(CCF)nc1-c1cccs1 ZINC000409436869 343841242 /nfs/dbraw/zinc/84/12/42/343841242.db2.gz BSIKSACIADGRLB-UHFFFAOYSA-N 0 0 226.276 2.073 10 0 BEAERN COC(=O)[C@@H](C)n1cc(-c2ccsc2)cn1 ZINC000409438850 343845245 /nfs/dbraw/zinc/84/52/45/343845245.db2.gz MRIILMHBFDUBSN-MRVPVSSYSA-N 0 0 236.296 2.346 10 0 BEAERN CC(C)(C)c1cc(=O)n(C[C@@H]2CCCC[NH2+]2)[n-]1 ZINC000409439027 343845924 /nfs/dbraw/zinc/84/59/24/343845924.db2.gz NSHFEECRXURRRL-JTQLQIEISA-N 0 0 237.347 2.028 10 0 BEAERN N=C(NO)[C@@H](c1cccc(F)c1)n1cccc1 ZINC000409439408 343847437 /nfs/dbraw/zinc/84/74/37/343847437.db2.gz HCBJSUUIJFHDGC-LLVKDONJSA-N 0 0 233.246 2.173 10 0 BEAERN CCn1ccn2nc(-c3ccco3)cc12 ZINC000409437671 343848387 /nfs/dbraw/zinc/84/83/87/343848387.db2.gz IERIGWQOSKBHAI-UHFFFAOYSA-N 0 0 201.229 2.416 10 0 BEAERN Cc1nn2ccn(C)c2c1-c1ccccn1 ZINC000409437696 343848503 /nfs/dbraw/zinc/84/85/03/343848503.db2.gz IIHZRMFBAIQUBW-UHFFFAOYSA-N 0 0 212.256 2.043 10 0 BEAERN COC(=O)[C@@H](C)n1cc(-c2cccs2)cn1 ZINC000409440179 343851126 /nfs/dbraw/zinc/85/11/26/343851126.db2.gz SGOCPGAFIYVJGQ-MRVPVSSYSA-N 0 0 236.296 2.346 10 0 BEAERN CCn1ccn2nc(C3CCOCC3)cc12 ZINC000409440770 343852413 /nfs/dbraw/zinc/85/24/13/343852413.db2.gz ZDTVUAFPJVZMSO-UHFFFAOYSA-N 0 0 219.288 2.050 10 0 BEAERN COc1cccc(-c2cc(=S)[nH]c(=O)[nH]2)c1 ZINC000409440605 343852835 /nfs/dbraw/zinc/85/28/35/343852835.db2.gz XWTJXWYHEKMGGD-UHFFFAOYSA-N 0 0 234.280 2.147 10 0 BEAERN Cc1ccc([C@@H](C)NN)c(Br)c1 ZINC000127170432 343885605 /nfs/dbraw/zinc/88/56/05/343885605.db2.gz GHUMBVOAZPVQEC-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN CC(C)c1cc(-c2ccccn2)nn1CO ZINC000409442379 343857885 /nfs/dbraw/zinc/85/78/85/343857885.db2.gz ZBSDGBWHMCKCMO-UHFFFAOYSA-N 0 0 217.272 2.018 10 0 BEAERN C[C@@H](O)c1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000409442370 343858008 /nfs/dbraw/zinc/85/80/08/343858008.db2.gz VBOAEYWMPGMFJI-RXMQYKEDSA-N 0 0 224.647 2.042 10 0 BEAERN COC(=N)c1cc(-c2ccccc2)nn1C ZINC000409443675 343862197 /nfs/dbraw/zinc/86/21/97/343862197.db2.gz RHPRDZOJWLDCRV-UHFFFAOYSA-N 0 0 215.256 2.059 10 0 BEAERN Cc1nc(N)cc(Cc2ccccc2Cl)n1 ZINC000575622310 343869142 /nfs/dbraw/zinc/86/91/42/343869142.db2.gz QIXQEEQWCFTMOM-UHFFFAOYSA-N 0 0 233.702 2.442 10 0 BEAERN CC(C)(C)n1c(=O)cc(C2CCCC2)[nH]c1=O ZINC000575622489 343869438 /nfs/dbraw/zinc/86/94/38/343869438.db2.gz MNRXOQOTUNPYNG-UHFFFAOYSA-N 0 0 236.315 2.362 10 0 BEAERN CC[C@H](C)c1cc(=O)n(C(C)(C)C)c(=O)[nH]1 ZINC000575622412 343869834 /nfs/dbraw/zinc/86/98/34/343869834.db2.gz LBGROBQDQOQPBR-QMMMGPOBSA-N 0 0 224.304 2.217 10 0 BEAERN COC(=O)c1cc(CCC2CCCC2)ncn1 ZINC000575622924 343875171 /nfs/dbraw/zinc/87/51/71/343875171.db2.gz ZTVFJKKJYZSCIP-UHFFFAOYSA-N 0 0 234.299 2.386 10 0 BEAERN CO[C@H]1CCC[C@H](n2cc(Cl)c(N)n2)C1 ZINC000069848537 537835071 /nfs/dbraw/zinc/83/50/71/537835071.db2.gz MOMXIUPNUJERJQ-YUMQZZPRSA-N 0 0 229.711 2.249 10 0 BEAERN Cc1ccoc1-c1nnc(Br)o1 ZINC000157811434 343918433 /nfs/dbraw/zinc/91/84/33/343918433.db2.gz IGKMIXKYBBBXJW-UHFFFAOYSA-N 0 0 229.033 2.401 10 0 BEAERN CCC[C@@H](NC1CSC1)C(=O)OC(C)(C)C ZINC000393741270 343921818 /nfs/dbraw/zinc/92/18/18/343921818.db2.gz HEWIMKYWGDJLHY-SNVBAGLBSA-N 0 0 245.388 2.202 10 0 BEAERN C[C@@H]1/C(=C\C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309904652 343975437 /nfs/dbraw/zinc/97/54/37/343975437.db2.gz PVXBEGUDSPVQEG-NASPGAHYSA-N 0 0 231.295 2.292 10 0 BEAERN C[C@H]1/C(=C\C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309904650 343975444 /nfs/dbraw/zinc/97/54/44/343975444.db2.gz PVXBEGUDSPVQEG-KWJWQAOWSA-N 0 0 231.295 2.292 10 0 BEAERN CC1(C)CN(c2ccc(C=O)s2)CCO1 ZINC000070609274 343952923 /nfs/dbraw/zinc/95/29/23/343952923.db2.gz LXVAPHLVOQWPCA-UHFFFAOYSA-N 0 0 225.313 2.176 10 0 BEAERN Brc1nnc([C@H]2CCCS2)o1 ZINC000157865756 344057224 /nfs/dbraw/zinc/05/72/24/344057224.db2.gz DESMYFIDSAQWMH-SCSAIBSYSA-N 0 0 235.106 2.400 10 0 BEAERN O=c1oc(-c2ccccc2)nn1-c1ccco1 ZINC000214131399 344073073 /nfs/dbraw/zinc/07/30/73/344073073.db2.gz AWZSVCRBBIGBHN-UHFFFAOYSA-N 0 0 228.207 2.086 10 0 BEAERN C/C=C\Cn1c2ccncc2[nH]c1=S ZINC000384745945 344088166 /nfs/dbraw/zinc/08/81/66/344088166.db2.gz MXPDWFXPKCBTAL-IHWYPQMZSA-N 0 0 205.286 2.296 10 0 BEAERN CNc1nnc(-c2csc(C)n2)s1 ZINC000220304424 344149660 /nfs/dbraw/zinc/14/96/60/344149660.db2.gz KJSVGYAUCVUVMY-UHFFFAOYSA-N 0 0 212.303 2.012 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CC(C)(C)C[C@@H]2C ZINC000234594065 344154855 /nfs/dbraw/zinc/15/48/55/344154855.db2.gz RSTCJNSGRSMXSO-XROYCOCOSA-N 0 0 232.707 2.320 10 0 BEAERN CC/C=C(/C)C(=O)Nc1ccc(Cl)nn1 ZINC000135351465 344207568 /nfs/dbraw/zinc/20/75/68/344207568.db2.gz ZASGBYXORKTXRD-DAXSKMNVSA-N 0 0 225.679 2.425 10 0 BEAERN COC[C@H](C)Nc1cc(C)cnc1Cl ZINC000234704529 344209678 /nfs/dbraw/zinc/20/96/78/344209678.db2.gz RROCQPHFYPFEGN-QMMMGPOBSA-N 0 0 214.696 2.490 10 0 BEAERN CCC1(CNC(=O)N[C@@H]2CCO[C@@H]2C)CCC1 ZINC000131554381 168470354 /nfs/dbraw/zinc/47/03/54/168470354.db2.gz KLLCYSOTGFDDNH-GHMZBOCLSA-N 0 0 240.347 2.043 10 0 BEAERN CC1(S(=O)(=O)Nc2ccccc2F)CC1 ZINC000218537384 344239872 /nfs/dbraw/zinc/23/98/72/344239872.db2.gz YTINIMOLBFAKSQ-UHFFFAOYSA-N 0 0 229.276 2.120 10 0 BEAERN CC(C)(C)C(=O)Nc1ccc(C=O)cc1 ZINC000220323451 344228160 /nfs/dbraw/zinc/22/81/60/344228160.db2.gz RVOJXEKLOZQHAX-UHFFFAOYSA-N 0 0 205.257 2.484 10 0 BEAERN CON(C)c1cc(C)c(N)cc1Br ZINC000234730190 344231877 /nfs/dbraw/zinc/23/18/77/344231877.db2.gz FYCHIOINUJTJAY-UHFFFAOYSA-N 0 0 245.120 2.337 10 0 BEAERN COCCNc1cc(Cl)c(F)cc1N ZINC000234660503 344182823 /nfs/dbraw/zinc/18/28/23/344182823.db2.gz QQPOFQOIUWSLLV-UHFFFAOYSA-N 0 0 218.659 2.120 10 0 BEAERN CCN(CC)c1ccc([C@@H](O)C[C@H]2CO2)cc1 ZINC000616572957 344184267 /nfs/dbraw/zinc/18/42/67/344184267.db2.gz XVYRYVZKHUDUCH-KBPBESRZSA-N 0 0 235.327 2.355 10 0 BEAERN COC(=O)CCC(=O)c1cc(F)ccc1C ZINC000234685912 344196649 /nfs/dbraw/zinc/19/66/49/344196649.db2.gz DKJBZLVBYREWIX-UHFFFAOYSA-N 0 0 224.231 2.270 10 0 BEAERN CC[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 ZINC000135367097 344238430 /nfs/dbraw/zinc/23/84/30/344238430.db2.gz SVASQHASAILSON-GFCCVEGCSA-N 0 0 229.320 2.422 10 0 BEAERN COC(=O)c1cc(Cl)c(NC(C)=O)cc1C ZINC000217527010 344199127 /nfs/dbraw/zinc/19/91/27/344199127.db2.gz SJQFHXRCQAMCOY-UHFFFAOYSA-N 0 0 241.674 2.393 10 0 BEAERN OCc1cc2cc[nH]c2c(Br)c1 ZINC000217645558 344203315 /nfs/dbraw/zinc/20/33/15/344203315.db2.gz HAMSKUBNAVKVLQ-UHFFFAOYSA-N 0 0 226.073 2.423 10 0 BEAERN COc1ccc([C@@H]2CCC[C@@H]2O)cc1OC ZINC000055230342 259373759 /nfs/dbraw/zinc/37/37/59/259373759.db2.gz OQBWLENGGHITAO-QWRGUYRKSA-N 0 0 222.284 2.332 10 0 BEAERN CC(C)[C@H](C)NC(=O)CSC1CCOCC1 ZINC000131214090 344244146 /nfs/dbraw/zinc/24/41/46/344244146.db2.gz SLNFTMYNIXOZJM-JTQLQIEISA-N 0 0 245.388 2.059 10 0 BEAERN Nc1ccc(C2(C(F)(F)F)CC2)cc1N ZINC000091252179 344246152 /nfs/dbraw/zinc/24/61/52/344246152.db2.gz AHELUVJFAZLXJM-UHFFFAOYSA-N 0 0 216.206 2.445 10 0 BEAERN Ic1ccc2cnoc2c1 ZINC000165969222 344255284 /nfs/dbraw/zinc/25/52/84/344255284.db2.gz XRHGQXXQOBHPSC-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN Cn1cnc([C@H](O)c2ccc(Cl)s2)c1 ZINC000236104704 344296740 /nfs/dbraw/zinc/29/67/40/344296740.db2.gz GMSJAEKVIGFIDP-VIFPVBQESA-N 0 0 228.704 2.217 10 0 BEAERN OCc1cnc(Nc2ccc(Cl)cc2)nc1 ZINC000219584177 344283562 /nfs/dbraw/zinc/28/35/62/344283562.db2.gz JLMZTBCKKKZSJK-UHFFFAOYSA-N 0 0 235.674 2.366 10 0 BEAERN Fc1cc(Br)c2c(c1)OCCO2 ZINC000219629579 344285644 /nfs/dbraw/zinc/28/56/44/344285644.db2.gz MMNHATWZAJOXSI-UHFFFAOYSA-N 0 0 233.036 2.359 10 0 BEAERN Clc1nc(-c2ncccc2Cl)no1 ZINC000236040854 344287156 /nfs/dbraw/zinc/28/71/56/344287156.db2.gz JXINGHXGCUEEOK-UHFFFAOYSA-N 0 0 216.027 2.438 10 0 BEAERN Brc1cncc(-c2ccno2)c1 ZINC000142397095 344291869 /nfs/dbraw/zinc/29/18/69/344291869.db2.gz WSYHMROKXBQDFZ-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN O=C(NC1CCC1)c1cc(Cl)nnc1Cl ZINC000236074329 344294558 /nfs/dbraw/zinc/29/45/58/344294558.db2.gz DUTYRRHCJVQMLW-UHFFFAOYSA-N 0 0 246.097 2.066 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccn2)O1 ZINC000133286681 344317161 /nfs/dbraw/zinc/31/71/61/344317161.db2.gz HRUQTDAKDQFTKF-VXNVDRBHSA-N 0 0 240.690 2.241 10 0 BEAERN CC(=O)C(C)(C)[C@@H]1CCOC(C)(C)O1 ZINC000139516266 344318952 /nfs/dbraw/zinc/31/89/52/344318952.db2.gz JAKAKXLREGQPSG-VIFPVBQESA-N 0 0 200.278 2.143 10 0 BEAERN FC(F)(F)C(F)(F)c1nnc(Cl)o1 ZINC000236212112 344319342 /nfs/dbraw/zinc/31/93/42/344319342.db2.gz HCOCEWGMQRWXOT-UHFFFAOYSA-N 0 0 222.500 2.377 10 0 BEAERN Cc1cnc(N[C@@H]2CCc3cc(N)ccc32)nc1 ZINC000094093294 344326151 /nfs/dbraw/zinc/32/61/51/344326151.db2.gz CWDIAZLDXUHQGN-CYBMUJFWSA-N 0 0 240.310 2.467 10 0 BEAERN C[C@@H](C1CC1)N(C)C(=O)NCc1cscn1 ZINC000127406379 344328597 /nfs/dbraw/zinc/32/85/97/344328597.db2.gz KGWHSFHELYZKBY-QMMMGPOBSA-N 0 0 239.344 2.083 10 0 BEAERN CCN(OC)c1ccccc1CC=C=O ZINC000095934264 344358282 /nfs/dbraw/zinc/35/82/82/344358282.db2.gz XZTFSUMFIDGBFN-UHFFFAOYSA-N 0 0 205.257 2.005 10 0 BEAERN O=C1NC2(CCCCC2)N[C@@H]1c1ccccc1 ZINC000146136494 344359230 /nfs/dbraw/zinc/35/92/30/344359230.db2.gz KPUAOHYSPFWEJG-GFCCVEGCSA-N 0 0 230.311 2.108 10 0 BEAERN O[C@H]1CCCc2ncc(Br)cc21 ZINC000220019637 344308498 /nfs/dbraw/zinc/30/84/98/344308498.db2.gz UUACVTJISTUWRW-VIFPVBQESA-N 0 0 228.089 2.214 10 0 BEAERN Oc1ccccc1-c1c(O)cccc1O ZINC000145772849 344374640 /nfs/dbraw/zinc/37/46/40/344374640.db2.gz DIRJJQCGNXNXPL-UHFFFAOYSA-N 0 0 202.209 2.470 10 0 BEAERN Brc1nc([C@H]2CCCO2)ns1 ZINC000166027928 344393612 /nfs/dbraw/zinc/39/36/12/344393612.db2.gz XKLYYXLFWVBBCW-SCSAIBSYSA-N 0 0 235.106 2.152 10 0 BEAERN OCC1(Nc2ccccc2Br)CC1 ZINC000236490040 344393768 /nfs/dbraw/zinc/39/37/68/344393768.db2.gz IPFFTLQOMXUKGD-UHFFFAOYSA-N 0 0 242.116 2.386 10 0 BEAERN OC[C@@H]1CCCC[C@H]1Nc1cc(C2CC2)ncn1 ZINC000641388362 362388557 /nfs/dbraw/zinc/38/85/57/362388557.db2.gz RNGGYFJQZMROEP-NWDGAFQWSA-N 0 0 247.342 2.317 10 0 BEAERN [NH3+]C[C@H](F)[C@H]1CCOC2(CCCC2)C1 ZINC000158071478 344396484 /nfs/dbraw/zinc/39/64/84/344396484.db2.gz DCIYNAVMZCJZSA-UWVGGRQHSA-N 0 0 201.285 2.023 10 0 BEAERN CN(C)c1ccc(C(N)=S)cc1Cl ZINC000062795191 347047918 /nfs/dbraw/zinc/04/79/18/347047918.db2.gz QOEMCOACBBPDBI-UHFFFAOYSA-N 0 0 214.721 2.040 10 0 BEAERN COC(=O)c1c(C)ccc(Cl)c1O ZINC000143446193 344407636 /nfs/dbraw/zinc/40/76/36/344407636.db2.gz NGEQJWUEOSLUOC-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN C=C1C[C@H]2C[C@@H]1N(Cc1ccccc1)C2=O ZINC000139583482 344408154 /nfs/dbraw/zinc/40/81/54/344408154.db2.gz UFLUMCWJGPSZFY-STQMWFEESA-N 0 0 213.280 2.364 10 0 BEAERN C[C@@H](Nc1ccc(F)cn1)[C@H]1CCCO1 ZINC000041045386 344414630 /nfs/dbraw/zinc/41/46/30/344414630.db2.gz ARQVFJHRJYLOFD-PSASIEDQSA-N 0 0 210.252 2.200 10 0 BEAERN C[C@H](Nc1ccc(F)cn1)[C@H]1CCCO1 ZINC000041045385 344414684 /nfs/dbraw/zinc/41/46/84/344414684.db2.gz ARQVFJHRJYLOFD-WCBMZHEXSA-N 0 0 210.252 2.200 10 0 BEAERN Cc1cc(Br)nnc1Cl ZINC000084312334 344418766 /nfs/dbraw/zinc/41/87/66/344418766.db2.gz YNLBNEKHIODSNR-UHFFFAOYSA-N 0 0 207.458 2.201 10 0 BEAERN O=C(c1cc(Cl)ccn1)N1C[C@@H]2CC[C@H]1C2 ZINC000042351231 344451399 /nfs/dbraw/zinc/45/13/99/344451399.db2.gz MVKCCIKPQIUMNH-SCZZXKLOSA-N 0 0 236.702 2.360 10 0 BEAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)c1cccnc1 ZINC000151968619 344471195 /nfs/dbraw/zinc/47/11/95/344471195.db2.gz JGMXPSYLAMSXFD-JQWIXIFHSA-N 0 0 234.299 2.002 10 0 BEAERN Cc1c(N)cnn1Cc1ccc(C)cc1 ZINC000048218378 178668271 /nfs/dbraw/zinc/66/82/71/178668271.db2.gz WSYSFHDRKAEGTN-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN COCC(=O)c1ccc(Br)cc1F ZINC000166080406 344477001 /nfs/dbraw/zinc/47/70/01/344477001.db2.gz NHLOPPOSDHQGPZ-UHFFFAOYSA-N 0 0 247.063 2.417 10 0 BEAERN Clc1cnc2c(Cl)nccc2n1 ZINC000217075023 344477156 /nfs/dbraw/zinc/47/71/56/344477156.db2.gz LUXKBFNGXYMUHY-UHFFFAOYSA-N 0 0 200.028 2.332 10 0 BEAERN CC(=O)c1cncc(Br)c1C ZINC000107394191 344482180 /nfs/dbraw/zinc/48/21/80/344482180.db2.gz QLPWMOCJJLBIDY-UHFFFAOYSA-N 0 0 214.062 2.355 10 0 BEAERN CCC[C@@H](C)NC(=O)NCc1cscn1 ZINC000051309638 347053078 /nfs/dbraw/zinc/05/30/78/347053078.db2.gz ZHACGHFEFFHJMQ-MRVPVSSYSA-N 0 0 227.333 2.131 10 0 BEAERN CO[C@H]1CN(c2nsnc2Cl)CC[C@@H]1C ZINC000230307664 344489790 /nfs/dbraw/zinc/48/97/90/344489790.db2.gz HHDDBTQFHQNYES-BQBZGAKWSA-N 0 0 247.751 2.053 10 0 BEAERN Cc1nsc(N[C@H]2CCC[C@H](O)C2)c1C#N ZINC000381501711 344513503 /nfs/dbraw/zinc/51/35/03/344513503.db2.gz PMBKHWFHBVQART-IUCAKERBSA-N 0 0 237.328 2.039 10 0 BEAERN Cc1nc(C[C@@]2(F)CCC[NH2+]C2)cs1 ZINC000158090920 344541307 /nfs/dbraw/zinc/54/13/07/344541307.db2.gz UGOCPQYMXIRDQP-JTQLQIEISA-N 0 0 214.309 2.086 10 0 BEAERN O=C1Cc2c(cccc2OC(F)(F)F)N1 ZINC000238551519 344549796 /nfs/dbraw/zinc/54/97/96/344549796.db2.gz JUUKWIWBQYMOQC-UHFFFAOYSA-N 0 0 217.146 2.080 10 0 BEAERN CN(c1nc(Cl)nnc1Cl)C1CCC1 ZINC000127670001 344594092 /nfs/dbraw/zinc/59/40/92/344594092.db2.gz YNLRGPROGHOSKI-UHFFFAOYSA-N 0 0 233.102 2.167 10 0 BEAERN C[N@@H+]1CCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000013480285 362430753 /nfs/dbraw/zinc/43/07/53/362430753.db2.gz PURIRTNUIAQQNH-LLVKDONJSA-N 0 0 205.257 2.152 10 0 BEAERN C[C@@H](O)c1c(O)cccc1Br ZINC000259304018 344578297 /nfs/dbraw/zinc/57/82/97/344578297.db2.gz BSOJVXAZCWGWBG-RXMQYKEDSA-N 0 0 217.062 2.208 10 0 BEAERN N#CCc1cc(N)cc(C(F)(F)F)c1F ZINC000396041394 344586136 /nfs/dbraw/zinc/58/61/36/344586136.db2.gz OMRDPAMEOIYCTC-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN Nc1cc(F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000396122723 344608863 /nfs/dbraw/zinc/60/88/63/344608863.db2.gz XVJIUWHMIAFKIZ-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1c(F)ccc(C)c1[N+](=O)[O-] ZINC000396122002 344608983 /nfs/dbraw/zinc/60/89/83/344608983.db2.gz VNNNJWPEQGKRDG-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOC(=O)c1cnc(F)c(C(F)(F)F)c1 ZINC000396127511 344610292 /nfs/dbraw/zinc/61/02/92/344610292.db2.gz PPPZAEHUNKTLQH-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN COc1cc(OC(F)F)cc(OC)c1F ZINC000396127170 344610304 /nfs/dbraw/zinc/61/03/04/344610304.db2.gz OTXWQZMIMVLXBL-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN CCOc1cc(OC)cc(F)c1OC ZINC000396128957 344611743 /nfs/dbraw/zinc/61/17/43/344611743.db2.gz XBBMFISOVPQXQG-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN O=[N+]([O-])c1ccc(F)c(OC(F)F)c1F ZINC000396129662 344612295 /nfs/dbraw/zinc/61/22/95/344612295.db2.gz ZOUDAOQZBFMLON-UHFFFAOYSA-N 0 0 225.097 2.474 10 0 BEAERN COc1ccc(OC(F)F)c(F)c1OC ZINC000396130021 344612303 /nfs/dbraw/zinc/61/23/03/344612303.db2.gz WUFTUFQIUNEEIA-UHFFFAOYSA-N 0 0 222.162 2.444 10 0 BEAERN COC(=O)c1c(Cl)cncc1OC(F)F ZINC000396135829 344613240 /nfs/dbraw/zinc/61/32/40/344613240.db2.gz JHNGYTDXZMMXOA-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN N#Cc1cc(F)c(OC(F)(F)F)cc1N ZINC000396139226 344614803 /nfs/dbraw/zinc/61/48/03/344614803.db2.gz UJJPZDVYMMHYJY-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN COC(=O)c1cc(OC(F)F)cc(Cl)n1 ZINC000396139508 344615049 /nfs/dbraw/zinc/61/50/49/344615049.db2.gz VARADGMCOGWMRT-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)c1ccnc(OC(F)F)c1Cl ZINC000396139894 344615051 /nfs/dbraw/zinc/61/50/51/344615051.db2.gz WUHXWONFTPSXAB-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COC(=O)Cc1cc(C)c(C#N)c(Cl)c1 ZINC000396141716 344615839 /nfs/dbraw/zinc/61/58/39/344615839.db2.gz FULNJJSNAXGCOR-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1ccc(F)c(C)c1C#N ZINC000396141699 344615842 /nfs/dbraw/zinc/61/58/42/344615842.db2.gz FRTFPXGMSKOSDY-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)Cc1ccc(C#N)c(C)c1Cl ZINC000396141682 344615969 /nfs/dbraw/zinc/61/59/69/344615969.db2.gz FOJXPLYLOXPVDU-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1ccc(C)c(F)c1C#N ZINC000396141522 344616020 /nfs/dbraw/zinc/61/60/20/344616020.db2.gz DZIIBWHDOJBOMI-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN CCOC(=O)c1c(C)cc(C#N)cc1F ZINC000396142628 344616284 /nfs/dbraw/zinc/61/62/84/344616284.db2.gz JDXVVRUFLYYSQU-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)Cc1c(C#N)ccc(C)c1Cl ZINC000396143039 344616677 /nfs/dbraw/zinc/61/66/77/344616677.db2.gz LENCSWZHHKLQNB-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(OC)c1Cl ZINC000396143247 344616927 /nfs/dbraw/zinc/61/69/27/344616927.db2.gz ANXOXJZTXJWVSR-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(Cl)c1C#N ZINC000396145453 344618635 /nfs/dbraw/zinc/61/86/35/344618635.db2.gz HMQZHGXXVXQSHW-UHFFFAOYSA-N 0 0 241.649 2.456 10 0 BEAERN CCOC(=O)c1c(C#N)cc(F)cc1CC ZINC000396145244 344618642 /nfs/dbraw/zinc/61/86/42/344618642.db2.gz SCJYDSJAEGJSGO-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCc1cc(C)cc(CC(=O)OC)c1C#N ZINC000396144521 344617630 /nfs/dbraw/zinc/61/76/30/344617630.db2.gz DDUHMDHOIDGFIU-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1C ZINC000396103321 344602754 /nfs/dbraw/zinc/60/27/54/344602754.db2.gz YBFKOHDRINHBMJ-UHFFFAOYSA-N 0 0 223.228 2.388 10 0 BEAERN N#Cc1c(C=O)cccc1OC(F)(F)F ZINC000396107957 344604008 /nfs/dbraw/zinc/60/40/08/344604008.db2.gz YBTXUOKTSMCHMG-UHFFFAOYSA-N 0 0 215.130 2.269 10 0 BEAERN N#Cc1cccc([N+](=O)[O-])c1OC(F)(F)F ZINC000396108742 344605004 /nfs/dbraw/zinc/60/50/04/344605004.db2.gz CIJPRHZZQOAXOQ-UHFFFAOYSA-N 0 0 232.117 2.365 10 0 BEAERN CCOC(=O)c1cc(C(F)(F)F)ncc1F ZINC000396109965 344605148 /nfs/dbraw/zinc/60/51/48/344605148.db2.gz FIHBTBBQDMKUHY-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN CN(C)c1cc(C=O)ccc1OC(F)(F)F ZINC000396116195 344606305 /nfs/dbraw/zinc/60/63/05/344606305.db2.gz IUAVHHSMOPQFNJ-UHFFFAOYSA-N 0 0 233.189 2.464 10 0 BEAERN N#Cc1cc(OC(F)(F)F)cc(N)c1F ZINC000396144937 344618184 /nfs/dbraw/zinc/61/81/84/344618184.db2.gz QZBQRMKYSAFIAR-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN Cc1nc2nc(C(F)F)cc(Cl)n2n1 ZINC000127917583 344680672 /nfs/dbraw/zinc/68/06/72/344680672.db2.gz OOONINSTSRANQO-UHFFFAOYSA-N 0 0 218.594 2.024 10 0 BEAERN CSC[C@@H](C)Nc1nc(Cl)ncc1F ZINC000127905203 344676721 /nfs/dbraw/zinc/67/67/21/344676721.db2.gz JSTVJVRUJWMLRX-RXMQYKEDSA-N 0 0 235.715 2.433 10 0 BEAERN Cc1ccc(N(C)C[C@]2(CO)CCCOC2)cc1 ZINC000104311962 178700094 /nfs/dbraw/zinc/70/00/94/178700094.db2.gz OUSPVNAJWBPQTH-HNNXBMFYSA-N 0 0 249.354 2.220 10 0 BEAERN COC(=O)c1c(OC)ccc(Cl)c1C#N ZINC000396145606 344619209 /nfs/dbraw/zinc/61/92/09/344619209.db2.gz UDMQBNLDMXHPPE-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCc1c(C)cc(C#N)cc1CC(=O)OC ZINC000396146050 344619645 /nfs/dbraw/zinc/61/96/45/344619645.db2.gz JCJMVQBNXSBIGC-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)c1cc(C)c(C#N)c(OC)c1 ZINC000396146095 344619724 /nfs/dbraw/zinc/61/97/24/344619724.db2.gz BZJQVJRAEAFFTF-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCOC(=O)c1ccc(Cl)c(OC)c1C#N ZINC000396146491 344620128 /nfs/dbraw/zinc/62/01/28/344620128.db2.gz JOVYDUKXXWLDCI-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)Cc1ccc(Cl)c(C#N)c1C ZINC000396146771 344620471 /nfs/dbraw/zinc/62/04/71/344620471.db2.gz XCCMKGUTQVHHIK-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1cc(O)c(C#N)cc1Cl ZINC000396147292 344620894 /nfs/dbraw/zinc/62/08/94/344620894.db2.gz YHJXBGOMAUICMF-UHFFFAOYSA-N 0 0 225.631 2.094 10 0 BEAERN CCOC(=O)c1ccc(C#N)c(C)c1OC ZINC000396148099 344621406 /nfs/dbraw/zinc/62/14/06/344621406.db2.gz GCZXIOUBVDZZSU-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCOC(=O)c1c(C)ccc(F)c1C#N ZINC000396147939 344621434 /nfs/dbraw/zinc/62/14/34/344621434.db2.gz ZDPAHMDOHFWAFN-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)c1ccc(OC)c(Cl)c1C#N ZINC000396150563 344623286 /nfs/dbraw/zinc/62/32/86/344623286.db2.gz PYFITQJVBYJLSG-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN CCc1cc(C)cc(C#N)c1C(=O)OC ZINC000396151054 344623891 /nfs/dbraw/zinc/62/38/91/344623891.db2.gz BIQXQLOTQKVSFG-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCc1cc(CC(=O)OC)c(C)cc1C#N ZINC000396153301 344625687 /nfs/dbraw/zinc/62/56/87/344625687.db2.gz SKEOWCUVNVKVHZ-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN CCOC(=O)Cc1cc(C#N)c(F)cc1C ZINC000396154300 344626183 /nfs/dbraw/zinc/62/61/83/344626183.db2.gz DEINDYGIWHVKFV-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)c1cc(OC)cc(C)c1C#N ZINC000396155835 344627371 /nfs/dbraw/zinc/62/73/71/344627371.db2.gz QVVNUPHFISKXCZ-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCOC(=O)Cc1c(F)cc(C)cc1C#N ZINC000396156600 344628025 /nfs/dbraw/zinc/62/80/25/344628025.db2.gz HPFNGNVXRJFFGI-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)c1c(OC)ccc(Cl)c1C#N ZINC000396156508 344628126 /nfs/dbraw/zinc/62/81/26/344628126.db2.gz XLEBYQVZOJGKGF-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN COC(=O)c1ccnc(Cl)c1OC(F)F ZINC000396171783 344631413 /nfs/dbraw/zinc/63/14/13/344631413.db2.gz XMMULAFKVVWYAX-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN CCc1cc(C(=O)OC)c(C#N)cc1C ZINC000396159227 344632495 /nfs/dbraw/zinc/63/24/95/344632495.db2.gz LCLZZUZTCOZLTO-UHFFFAOYSA-N 0 0 203.241 2.216 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C#N)c(F)c1 ZINC000396159044 344632545 /nfs/dbraw/zinc/63/25/45/344632545.db2.gz LOOWBIVBEDXZMG-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(C)c1[N+](=O)[O-] ZINC000396168023 344637303 /nfs/dbraw/zinc/63/73/03/344637303.db2.gz XBXYQLMEQYZAPJ-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NCC1CCC(O)CC1 ZINC000227615164 344639240 /nfs/dbraw/zinc/63/92/40/344639240.db2.gz CYRSLZCVGHQQOL-XVSSEFHLSA-N 0 0 239.359 2.090 10 0 BEAERN Cc1cccc(C)c1C[C@@H](O)C(F)F ZINC000158727323 344733120 /nfs/dbraw/zinc/73/31/20/344733120.db2.gz ZRDDJGALQTYGNN-SNVBAGLBSA-N 0 0 200.228 2.472 10 0 BEAERN COc1cccc([C@@H](O)C(F)F)c1F ZINC000158727600 344733124 /nfs/dbraw/zinc/73/31/24/344733124.db2.gz NKMJDECAYGOPOL-MRVPVSSYSA-N 0 0 206.163 2.133 10 0 BEAERN C[C@@H]1CCCN(c2ncc(C=O)s2)C1 ZINC000054861527 344733569 /nfs/dbraw/zinc/73/35/69/344733569.db2.gz QTAHGQWDTRMOIC-MRVPVSSYSA-N 0 0 210.302 2.192 10 0 BEAERN CC[N@@H+]1CC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000221343211 344733953 /nfs/dbraw/zinc/73/39/53/344733953.db2.gz SZNKROCWUOZFOH-GFCCVEGCSA-N 0 0 219.284 2.194 10 0 BEAERN CC[N@@H+]1CC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000221342885 344734071 /nfs/dbraw/zinc/73/40/71/344734071.db2.gz BBVKLMILJHBUHF-LBPRGKRZSA-N 0 0 219.284 2.194 10 0 BEAERN C[C@H]1CC[C@@H](n2c(CO)c[nH]c2=S)C1 ZINC000128084247 344735255 /nfs/dbraw/zinc/73/52/55/344735255.db2.gz ZNPKKWVECRFMLG-JGVFFNPUSA-N 0 0 212.318 2.025 10 0 BEAERN O=C1C[C@@H](c2ccc(Cl)cc2Cl)NN1 ZINC000221367965 344736553 /nfs/dbraw/zinc/73/65/53/344736553.db2.gz MICQEZPSGSQCQV-QMMMGPOBSA-N 0 0 231.082 2.059 10 0 BEAERN CC/C=C1/N=C(c2ccccc2)OC1=O ZINC000212421053 344738571 /nfs/dbraw/zinc/73/85/71/344738571.db2.gz RSZFFQBCJXNZEM-UXBLZVDNSA-N 0 0 201.225 2.284 10 0 BEAERN CCc1nnc(Cl)n1[C@H](C)[C@@H]1CCOC1 ZINC000158753369 344740185 /nfs/dbraw/zinc/74/01/85/344740185.db2.gz DRGZEIYZYMNBKY-HTQZYQBOSA-N 0 0 229.711 2.091 10 0 BEAERN C[C@@H]1CSCCN1CC(=O)c1cccs1 ZINC000069761246 344745364 /nfs/dbraw/zinc/74/53/64/344745364.db2.gz QKLRHFQUNYMBJQ-SECBINFHSA-N 0 0 241.381 2.368 10 0 BEAERN CC(C)c1nnsc1-c1nc(Cl)no1 ZINC000158580704 344683203 /nfs/dbraw/zinc/68/32/03/344683203.db2.gz MYFPOPUMEWDQTD-UHFFFAOYSA-N 0 0 230.680 2.365 10 0 BEAERN Cc1ccc(N)c(NC(=O)[C@@H]2C[C@H]2C)c1C ZINC000036736927 178703336 /nfs/dbraw/zinc/70/33/36/178703336.db2.gz HCFJDNNRKLAZPH-PSASIEDQSA-N 0 0 218.300 2.480 10 0 BEAERN COc1ccccc1-c1nc(Cl)no1 ZINC000158588491 344685690 /nfs/dbraw/zinc/68/56/90/344685690.db2.gz RFTOEPZOLOMHTH-UHFFFAOYSA-N 0 0 210.620 2.399 10 0 BEAERN CCNC(=S)N1C[C@@H](C)CC[C@H]1C ZINC000127941286 344687331 /nfs/dbraw/zinc/68/73/31/344687331.db2.gz SCLNIHMYUCQNBZ-DTWKUNHWSA-N 0 0 200.351 2.001 10 0 BEAERN C[C@]1([C@H](O)c2cccnc2)CCCS1 ZINC000158616656 344698751 /nfs/dbraw/zinc/69/87/51/344698751.db2.gz URDPBYRRVDKPTA-GHMZBOCLSA-N 0 0 209.314 2.401 10 0 BEAERN O=C(C(F)F)[C@H]1CCOC2(CCC2)C1 ZINC000158643498 344706779 /nfs/dbraw/zinc/70/67/79/344706779.db2.gz JMCINWJPGVEMQT-ZETCQYMHSA-N 0 0 204.216 2.170 10 0 BEAERN CC(=O)N1CCCC[C@H]1c1cccc(N)c1 ZINC000221244988 344708206 /nfs/dbraw/zinc/70/82/06/344708206.db2.gz JBNQXRXZAUOKKD-ZDUSSCGKSA-N 0 0 218.300 2.342 10 0 BEAERN Cc1nn([C@H](C)CC(N)=S)c(C)c1Cl ZINC000050586773 344715401 /nfs/dbraw/zinc/71/54/01/344715401.db2.gz SPQZVKFMGIIJRX-RXMQYKEDSA-N 0 0 231.752 2.391 10 0 BEAERN CC(=O)CCn1nc(C)c(Br)c1C ZINC000050593691 344716970 /nfs/dbraw/zinc/71/69/70/344716970.db2.gz COLNFLFPISHUBV-UHFFFAOYSA-N 0 0 245.120 2.242 10 0 BEAERN CSc1c(N)nsc1NCC1CC1 ZINC000235061691 344758791 /nfs/dbraw/zinc/75/87/91/344758791.db2.gz NIKKVYYZWQCCDD-UHFFFAOYSA-N 0 0 215.347 2.269 10 0 BEAERN CS[C@H]1CCC[C@H]1n1cnnc1Cl ZINC000235076565 344764148 /nfs/dbraw/zinc/76/41/48/344764148.db2.gz QVQCJHGHVDXHMQ-RQJHMYQMSA-N 0 0 217.725 2.388 10 0 BEAERN CS[C@H]1CCC[C@H]1Nc1nncs1 ZINC000235059000 344754582 /nfs/dbraw/zinc/75/45/82/344754582.db2.gz OJTHHXBQELWJNC-RQJHMYQMSA-N 0 0 215.347 2.234 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000248627457 537858513 /nfs/dbraw/zinc/85/85/13/537858513.db2.gz VJLUUDIVARRJKJ-WISYIIOYSA-N 0 0 227.348 2.210 10 0 BEAERN CCOC(=O)c1ccnc(-c2ccccn2)c1 ZINC000118589551 344808252 /nfs/dbraw/zinc/80/82/52/344808252.db2.gz ZWVWUYLHBCINFR-UHFFFAOYSA-N 0 0 228.251 2.320 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1O ZINC000126794563 178744040 /nfs/dbraw/zinc/74/40/40/178744040.db2.gz HGPSYLQAIUHREJ-CABZTGNLSA-N 0 0 235.283 2.207 10 0 BEAERN CC(C)(c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000408494322 344840612 /nfs/dbraw/zinc/84/06/12/344840612.db2.gz DTMOYZFASRABOZ-UHFFFAOYSA-N 0 0 222.679 2.179 10 0 BEAERN C[C@@H]1CC=C([C@](O)(CO)C(F)(F)F)CC1 ZINC000675053340 537865492 /nfs/dbraw/zinc/86/54/92/537865492.db2.gz MWPAGBGGEZSMNG-VXNVDRBHSA-N 0 0 224.222 2.019 10 0 BEAERN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(N)c1 ZINC000037064635 178745074 /nfs/dbraw/zinc/74/50/74/178745074.db2.gz SMBMZHINCJMFBY-RKDXNWHRSA-N 0 0 204.273 2.172 10 0 BEAERN CS[C@H]1CC[C@H](n2cnnc2Cl)C1 ZINC000235152348 344823139 /nfs/dbraw/zinc/82/31/39/344823139.db2.gz DXBMPFUEHUYHIM-BQBZGAKWSA-N 0 0 217.725 2.388 10 0 BEAERN Cc1ccccc1S(=O)(=O)c1ccccc1N ZINC000166258601 344828585 /nfs/dbraw/zinc/82/85/85/344828585.db2.gz QRSHNBMKRFMVIC-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN C[C@@H](Cn1cc[nH]c1=S)c1nccs1 ZINC000235164309 344832431 /nfs/dbraw/zinc/83/24/31/344832431.db2.gz IPTUOPVJHYLGFT-ZETCQYMHSA-N 0 0 225.342 2.432 10 0 BEAERN Cc1ccc(NC(=O)c2ccnc(N)c2)cc1 ZINC000050699917 178753252 /nfs/dbraw/zinc/75/32/52/178753252.db2.gz UKLLDCFOTJXKOL-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN CSc1ccc(NCC[C@@H](O)C(C)C)nn1 ZINC000078341571 344850565 /nfs/dbraw/zinc/85/05/65/344850565.db2.gz VEZJQRVQKFNDGK-SECBINFHSA-N 0 0 241.360 2.017 10 0 BEAERN CC(C)Cn1cc(N)c(-c2ccoc2)n1 ZINC000135692459 344851357 /nfs/dbraw/zinc/85/13/57/344851357.db2.gz KBWGLVDNGYIXBX-UHFFFAOYSA-N 0 0 205.261 2.381 10 0 BEAERN Cc1ccc(NC(=O)c2cscn2)c(N)c1 ZINC000062353320 178753861 /nfs/dbraw/zinc/75/38/61/178753861.db2.gz RPYZQNAUPGGAOH-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN O=C(NCCOC(F)F)OCc1ccccc1 ZINC000306869108 344851389 /nfs/dbraw/zinc/85/13/89/344851389.db2.gz RMDSDZBUKXSSBR-UHFFFAOYSA-N 0 0 245.225 2.152 10 0 BEAERN Cc1ccc(NCC(=O)NC(C)(C)C)cc1F ZINC000020053799 178756999 /nfs/dbraw/zinc/75/69/99/178756999.db2.gz FXDWBVYHIYVIIT-UHFFFAOYSA-N 0 0 238.306 2.461 10 0 BEAERN Cc1ccc(NC2(CO)CCCC2)c(N)c1 ZINC000053045152 178756514 /nfs/dbraw/zinc/75/65/14/178756514.db2.gz SFDBCSOWLPAGSZ-UHFFFAOYSA-N 0 0 220.316 2.294 10 0 BEAERN Cc1cc(N)nn1CCc1ccsc1 ZINC000300877332 537867215 /nfs/dbraw/zinc/86/72/15/537867215.db2.gz MDLZCZRAWMDLST-UHFFFAOYSA-N 0 0 207.302 2.078 10 0 BEAERN Cc1ccc(NC(=O)[C@H]2OCC[C@H]2C)cc1O ZINC000119649099 178750292 /nfs/dbraw/zinc/75/02/92/178750292.db2.gz KJPFSVSPIJASNN-SKDRFNHKSA-N 0 0 235.283 2.064 10 0 BEAERN CSc1ccc(N[C@@H](CCO)C(C)C)nn1 ZINC000078447080 344869554 /nfs/dbraw/zinc/86/95/54/344869554.db2.gz LTTJTWQBDIXROT-VIFPVBQESA-N 0 0 241.360 2.017 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cccc([S-])c1 ZINC000235276202 344870666 /nfs/dbraw/zinc/87/06/66/344870666.db2.gz CEPDUJGEVFRVHG-GMSGAONNSA-N 0 0 207.298 2.114 10 0 BEAERN Cc1ccc(NC[C@@H](C)C(N)=O)cc1Cl ZINC000037227115 178759577 /nfs/dbraw/zinc/75/95/77/178759577.db2.gz VLGLVFIEJRUCMR-MRVPVSSYSA-N 0 0 226.707 2.182 10 0 BEAERN Cc1ccc(NC[C@@H]2CCCO2)c(N)c1 ZINC000036964568 178759957 /nfs/dbraw/zinc/75/99/57/178759957.db2.gz QJVGCOBTEKOPJR-JTQLQIEISA-N 0 0 206.289 2.168 10 0 BEAERN Cc1ccc(NC[C@H](C)C(N)=O)cc1Cl ZINC000037227116 178760928 /nfs/dbraw/zinc/76/09/28/178760928.db2.gz VLGLVFIEJRUCMR-QMMMGPOBSA-N 0 0 226.707 2.182 10 0 BEAERN CSc1c(N)cc(N)c(Cl)c1F ZINC000235294774 344875582 /nfs/dbraw/zinc/87/55/82/344875582.db2.gz SEVMHVKBHRDYMR-UHFFFAOYSA-N 0 0 206.673 2.365 10 0 BEAERN C[C@@H]1C[C@H]1Nc1snc(N)c1C1CC1 ZINC000235290673 344877845 /nfs/dbraw/zinc/87/78/45/344877845.db2.gz JUCSGXZXNBMXOH-IYSWYEEDSA-N 0 0 209.318 2.423 10 0 BEAERN C[C@@H]1C[C@]1(O)C(C(F)(F)F)C(F)(F)F ZINC000235312485 344880878 /nfs/dbraw/zinc/88/08/78/344880878.db2.gz OQMDKOAJXMYKGR-NQXXGFSBSA-N 0 0 222.128 2.498 10 0 BEAERN C[C@@H]1SCC[C@@]1(O)CC1CCOCC1 ZINC000235347775 344889313 /nfs/dbraw/zinc/88/93/13/344889313.db2.gz SLOLMNDTQMITFG-GXSJLCMTSA-N 0 0 216.346 2.060 10 0 BEAERN Cc1ccc(NS(=O)(=O)C(C)C)c(C)c1N ZINC000037905189 178767695 /nfs/dbraw/zinc/76/76/95/178767695.db2.gz SFASJCOLTFQDLL-UHFFFAOYSA-N 0 0 242.344 2.036 10 0 BEAERN O[C@H]1CCCCC[C@H]1OCC(F)(F)F ZINC000044192398 344899216 /nfs/dbraw/zinc/89/92/16/344899216.db2.gz LBHMYOCBSDQNSW-JGVFFNPUSA-N 0 0 212.211 2.259 10 0 BEAERN C[C@@H]1SCC[C@]1(O)C(F)(F)Br ZINC000235399847 344901997 /nfs/dbraw/zinc/90/19/97/344901997.db2.gz YGVUKWBSEVHBSY-CRCLSJGQSA-N 0 0 247.104 2.231 10 0 BEAERN Cc1csc(N[C@@H]2CCO[C@H](C)C2)n1 ZINC000235416106 344906504 /nfs/dbraw/zinc/90/65/04/344906504.db2.gz QUJQREIDIAIFBS-RKDXNWHRSA-N 0 0 212.318 2.431 10 0 BEAERN C[C@H](C1CCOCC1)n1cccc1C=O ZINC000235411895 344908125 /nfs/dbraw/zinc/90/81/25/344908125.db2.gz QVTPGHYPYXMIMJ-SNVBAGLBSA-N 0 0 207.273 2.288 10 0 BEAERN CCOC(=O)CC1(O)CCC(C)(C)CC1 ZINC000070654799 537875948 /nfs/dbraw/zinc/87/59/48/537875948.db2.gz GQBZWPLJQPVCMY-UHFFFAOYSA-N 0 0 214.305 2.271 10 0 BEAERN Cc1ccc(N[C@H](C)C(=O)N(C)C)c(F)c1 ZINC000058798693 178776029 /nfs/dbraw/zinc/77/60/29/178776029.db2.gz ILQNFZHHKHRVHZ-SECBINFHSA-N 0 0 224.279 2.023 10 0 BEAERN Cc1cccc([C@H](C)NN)c1Br ZINC000235509112 344927551 /nfs/dbraw/zinc/92/75/51/344927551.db2.gz SJFNBELMLXBEDG-ZETCQYMHSA-N 0 0 229.121 2.282 10 0 BEAERN C[C@H]1C[C@@H]1c1nc2c(c(=S)[nH]1)CCC2 ZINC000235606107 344953062 /nfs/dbraw/zinc/95/30/62/344953062.db2.gz DHIRYKRDSGJIMJ-XPUUQOCRSA-N 0 0 206.314 2.377 10 0 BEAERN COc1cc(Br)c(OC)c(OC)c1 ZINC000033823052 344955500 /nfs/dbraw/zinc/95/55/00/344955500.db2.gz GMORDWZSIZHNNW-UHFFFAOYSA-N 0 0 247.088 2.475 10 0 BEAERN Clc1nc(Cl)nc(Oc2cccnc2)n1 ZINC000061517855 344955540 /nfs/dbraw/zinc/95/55/40/344955540.db2.gz VONGZERQMMBKNY-UHFFFAOYSA-N 0 0 243.053 2.366 10 0 BEAERN COc1nc(Cl)nc(SC(C)C)n1 ZINC000061515287 344955601 /nfs/dbraw/zinc/95/56/01/344955601.db2.gz UNPJYSKTGMFLDF-UHFFFAOYSA-N 0 0 219.697 2.034 10 0 BEAERN C[C@H]1SCC[C@@H]1n1ncc(Cl)c1N ZINC000235617500 344955749 /nfs/dbraw/zinc/95/57/49/344955749.db2.gz JAZKHVDAABHCHG-VDTYLAMSSA-N 0 0 217.725 2.185 10 0 BEAERN C[C@H]1C[C@H]1c1nc2c(c(=S)[nH]1)CCC2 ZINC000235617617 344955885 /nfs/dbraw/zinc/95/58/85/344955885.db2.gz DHIRYKRDSGJIMJ-POYBYMJQSA-N 0 0 206.314 2.377 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)c2cn(C)cn2)C1 ZINC000235663127 344977590 /nfs/dbraw/zinc/97/75/90/344977590.db2.gz DCTQZFWMRWAHHX-VHSXEESVSA-N 0 0 206.289 2.429 10 0 BEAERN CC(C)(C)c1ccc(C(N)=O)c(Cl)n1 ZINC000238121512 344971999 /nfs/dbraw/zinc/97/19/99/344971999.db2.gz OIPVBYUSFQKKNS-UHFFFAOYSA-N 0 0 212.680 2.131 10 0 BEAERN O=C1CSC[C@H]1Cc1c(F)cccc1F ZINC000166620626 344944457 /nfs/dbraw/zinc/94/44/57/344944457.db2.gz KAKGTBXVSIZPSM-SSDOTTSWSA-N 0 0 228.263 2.439 10 0 BEAERN Cc1c(N)cnn1Cc1ccccc1C ZINC000070821463 537883816 /nfs/dbraw/zinc/88/38/16/537883816.db2.gz OPEBATGCYSRYMO-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN O=C1c2ccc(O)cc2-c2ccc(O)cc21 ZINC000238722815 344987432 /nfs/dbraw/zinc/98/74/32/344987432.db2.gz YUFBRBWYQGSCPM-UHFFFAOYSA-N 0 0 212.204 2.309 10 0 BEAERN [NH3+][C@H](CCO)c1cc(Cl)c([O-])c(Cl)c1 ZINC000044234521 344987837 /nfs/dbraw/zinc/98/78/37/344987837.db2.gz LBMGRANYJCFECH-MRVPVSSYSA-N 0 0 236.098 2.081 10 0 BEAERN CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cncs1 ZINC000123379289 344997721 /nfs/dbraw/zinc/99/77/21/344997721.db2.gz VIUCMTZGWPXJNO-LLVKDONJSA-N 0 0 239.388 2.059 10 0 BEAERN FC(F)(F)Cc1nc2cccnc2[nH]1 ZINC000044264685 345000103 /nfs/dbraw/zinc/00/01/03/345000103.db2.gz GPXFVMBHQLTHIL-UHFFFAOYSA-N 0 0 201.151 2.063 10 0 BEAERN CCOC(=O)c1cc2ccc(N)cc2o1 ZINC000238292142 345014075 /nfs/dbraw/zinc/01/40/75/345014075.db2.gz AQPLYOIWZAIPKS-UHFFFAOYSA-N 0 0 205.213 2.192 10 0 BEAERN COc1cc(C)c(OC(F)(F)F)cn1 ZINC000238370747 345032803 /nfs/dbraw/zinc/03/28/03/345032803.db2.gz KOAWVZRNWMXIIK-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COC(=O)Cc1cc(F)c(F)c(Cl)c1 ZINC000238387804 345035578 /nfs/dbraw/zinc/03/55/78/345035578.db2.gz KINGWBFHWRTINW-UHFFFAOYSA-N 0 0 220.602 2.334 10 0 BEAERN COc1ccc(OC(F)(F)F)c(O)c1 ZINC000238384624 345037492 /nfs/dbraw/zinc/03/74/92/345037492.db2.gz ACGIDXLXTLCHCG-UHFFFAOYSA-N 0 0 208.135 2.299 10 0 BEAERN COc1ccnc(F)c1OC(F)(F)F ZINC000238384857 345037725 /nfs/dbraw/zinc/03/77/25/345037725.db2.gz OFIISLXQNTYFSH-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN COc1ccnc(I)c1C ZINC000238384882 345037737 /nfs/dbraw/zinc/03/77/37/345037737.db2.gz FFXKOSFBOAIEEH-UHFFFAOYSA-N 0 0 249.051 2.003 10 0 BEAERN COC(=O)c1ccc(N)c(C)c1Br ZINC000238392343 345038390 /nfs/dbraw/zinc/03/83/90/345038390.db2.gz NWGSAGQVONUFSZ-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN O=Cc1ccnc(OC(F)(F)F)c1Cl ZINC000238549362 345074180 /nfs/dbraw/zinc/07/41/80/345074180.db2.gz UBXJAPUYSMXENO-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1cncc(C=O)c1OC(F)(F)F ZINC000238540869 345075474 /nfs/dbraw/zinc/07/54/74/345075474.db2.gz SYBITROEKJXYFO-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ccc(Oc2cc(Cl)nc(N)n2)cn1 ZINC000048354961 178820171 /nfs/dbraw/zinc/82/01/71/178820171.db2.gz LDSYIRABIIRGNC-UHFFFAOYSA-N 0 0 236.662 2.208 10 0 BEAERN CC(C)CN(C(N)=O)[C@H]1CCCc2cccnc21 ZINC000124936510 345058397 /nfs/dbraw/zinc/05/83/97/345058397.db2.gz RSAJHOZSHRDWJX-LBPRGKRZSA-N 0 0 247.342 2.496 10 0 BEAERN Cc1nccc(F)c1I ZINC000238490488 345058952 /nfs/dbraw/zinc/05/89/52/345058952.db2.gz NYCCMUXVBKILNB-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN O=c1cc(OC(F)(F)F)c(Cl)c[nH]1 ZINC000238707067 345116852 /nfs/dbraw/zinc/11/68/52/345116852.db2.gz MWNFERJSQFMDNO-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN OCc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238719665 345117551 /nfs/dbraw/zinc/11/75/51/345117551.db2.gz BOCIEAJOAOTWDX-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN CSCC[C@H](C)N(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000155588837 345089270 /nfs/dbraw/zinc/08/92/70/345089270.db2.gz MPHMKQQFHFIVIO-GARJFASQSA-N 0 0 245.388 2.154 10 0 BEAERN Cc1cccn1S(=O)(=O)c1ccc(C)cc1 ZINC000000368425 178827336 /nfs/dbraw/zinc/82/73/36/178827336.db2.gz RZQZEMIQAVHLLB-UHFFFAOYSA-N 0 0 235.308 2.342 10 0 BEAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCO1 ZINC000155784074 345102500 /nfs/dbraw/zinc/10/25/00/345102500.db2.gz UIFFYGGVJNYXIG-NWDGAFQWSA-N 0 0 223.316 2.367 10 0 BEAERN Nc1cc(Cl)ncc1OC(F)(F)F ZINC000238678487 345107966 /nfs/dbraw/zinc/10/79/66/345107966.db2.gz ABXRSIIWRAWMOW-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Oc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238670409 345108264 /nfs/dbraw/zinc/10/82/64/345108264.db2.gz MYVKITLIFVGXPF-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN O=c1cc(Cl)[nH]c(OC(F)(F)F)c1 ZINC000238694234 345111751 /nfs/dbraw/zinc/11/17/51/345111751.db2.gz KEIIQZVHCIRPMP-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN CC[C@H]1CCN(c2ncc(C=O)s2)C1 ZINC000166748840 345131187 /nfs/dbraw/zinc/13/11/87/345131187.db2.gz JMUMRRJAWKIBRD-QMMMGPOBSA-N 0 0 210.302 2.192 10 0 BEAERN C[C@H]1CCN[C@H](c2cscn2)S1 ZINC000126795250 345139055 /nfs/dbraw/zinc/13/90/55/345139055.db2.gz CYAZAFRNWPBAMQ-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN CCc1cc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 ZINC000720942603 537892197 /nfs/dbraw/zinc/89/21/97/537892197.db2.gz WQKWWPJXPCXBAU-POYBYMJQSA-N 0 0 215.247 2.456 10 0 BEAERN COc1cccc(C2=CC(=O)OC(C)(C)O2)c1 ZINC000139824072 345223246 /nfs/dbraw/zinc/22/32/46/345223246.db2.gz XDUZGGAZMNSUJZ-UHFFFAOYSA-N 0 0 234.251 2.346 10 0 BEAERN CC(C)c1nccnc1NCC[C@@H](O)C(F)F ZINC000631459431 345269131 /nfs/dbraw/zinc/26/91/31/345269131.db2.gz ATYQZZJWTXFIID-MRVPVSSYSA-N 0 0 245.273 2.028 10 0 BEAERN Cc1ccc([C@@H](C)NCc2cnns2)o1 ZINC000289963991 178844810 /nfs/dbraw/zinc/84/48/10/178844810.db2.gz IUWKDFJQGMMEQY-MRVPVSSYSA-N 0 0 223.301 2.290 10 0 BEAERN Cc1cccnc1C(=O)Cc1ccoc1 ZINC000130597282 345279615 /nfs/dbraw/zinc/27/96/15/345279615.db2.gz GSWSJKSLVKVAIF-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN COC(=O)Cc1cccc(OC(F)F)c1F ZINC000390226479 345295593 /nfs/dbraw/zinc/29/55/93/345295593.db2.gz CKRKBKFPUTUSDQ-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN Cc1sc(Cc2ccccn2)nc1N ZINC000131908777 345311235 /nfs/dbraw/zinc/31/12/35/345311235.db2.gz FDYWEJKUHDFZGM-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN Cc1ccc([C@@H](C)Nc2ncccc2C(N)=O)o1 ZINC000037981589 178852278 /nfs/dbraw/zinc/85/22/78/178852278.db2.gz FLTBYRGPMLVHNG-SECBINFHSA-N 0 0 245.282 2.255 10 0 BEAERN CCOC(=O)c1cc(OC(F)(F)F)ccn1 ZINC000390293607 345358438 /nfs/dbraw/zinc/35/84/38/345358438.db2.gz ZSYJOPKCALHVKH-UHFFFAOYSA-N 0 0 235.161 2.157 10 0 BEAERN Cc1ccc([C@H]2CN(CC3CC3)CCO2)o1 ZINC000159084886 345408674 /nfs/dbraw/zinc/40/86/74/345408674.db2.gz NGCGYTYSWGOURK-CYBMUJFWSA-N 0 0 221.300 2.371 10 0 BEAERN O[C@@H]1CSC[C@@H]1Cc1cccc(F)c1 ZINC000134672493 345418535 /nfs/dbraw/zinc/41/85/35/345418535.db2.gz NBBXNNDNWPLRSD-GXSJLCMTSA-N 0 0 212.289 2.092 10 0 BEAERN FC(F)(F)CNc1cnnc(Cl)c1 ZINC000229122748 345439173 /nfs/dbraw/zinc/43/91/73/345439173.db2.gz YFSSTZBGFLHTMQ-UHFFFAOYSA-N 0 0 211.574 2.104 10 0 BEAERN CC(C)Cn1cc(N)c(-c2nccs2)n1 ZINC000135694198 345450825 /nfs/dbraw/zinc/45/08/25/345450825.db2.gz BMWQKGZWOIOPBK-UHFFFAOYSA-N 0 0 222.317 2.245 10 0 BEAERN Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H]2C)n1 ZINC000080979039 345457547 /nfs/dbraw/zinc/45/75/47/345457547.db2.gz PCRXIIOXNSIBPN-HZGVNTEJSA-N 0 0 202.261 2.087 10 0 BEAERN C[C@H]1OCC[C@@H]1Sc1ccnc(Cl)n1 ZINC000229329687 345511850 /nfs/dbraw/zinc/51/18/50/345511850.db2.gz OYWWWRXLWXAWAW-RQJHMYQMSA-N 0 0 230.720 2.400 10 0 BEAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000250650811 345484953 /nfs/dbraw/zinc/48/49/53/345484953.db2.gz WQDFALBSBODLEE-ONGXEEELSA-N 0 0 239.702 2.417 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)COC(C)C)o1 ZINC000068016118 178886115 /nfs/dbraw/zinc/88/61/15/178886115.db2.gz WBXYWIJAKFEASI-JTQLQIEISA-N 0 0 225.288 2.190 10 0 BEAERN c1cc2cc(-c3nn[nH]n3)ccc2s1 ZINC000095236603 345683704 /nfs/dbraw/zinc/68/37/04/345683704.db2.gz FLXAZIXNCHYTJH-UHFFFAOYSA-N 0 0 202.242 2.081 10 0 BEAERN c1ccc(-c2nn[nH]n2)c(OCC2CCCC2)c1 ZINC000095236981 345684078 /nfs/dbraw/zinc/68/40/78/345684078.db2.gz BVPZPPZGYYGODJ-UHFFFAOYSA-N 0 0 244.298 2.436 10 0 BEAERN Fc1ccccc1C1(c2nn[nH]n2)CCCC1 ZINC000095237197 345684380 /nfs/dbraw/zinc/68/43/80/345684380.db2.gz WLZGGOSGJSSGOH-UHFFFAOYSA-N 0 0 232.262 2.199 10 0 BEAERN CC[C@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000616590274 349937299 /nfs/dbraw/zinc/93/72/99/349937299.db2.gz ZJBXURMVLICMDU-JTQLQIEISA-N 0 0 239.340 2.350 10 0 BEAERN COC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000113828273 345754976 /nfs/dbraw/zinc/75/49/76/345754976.db2.gz NKKKHHGOLLZXLN-LBPRGKRZSA-N 0 0 220.268 2.449 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@@H](C)C(C)C ZINC000141373218 345702944 /nfs/dbraw/zinc/70/29/44/345702944.db2.gz KWFBUWFZTFIELO-UWVGGRQHSA-N 0 0 200.326 2.375 10 0 BEAERN COc1cccc(OC)c1C[C@H](C)C=O ZINC000162352769 345714223 /nfs/dbraw/zinc/71/42/23/345714223.db2.gz DVOGSCUAHMIHRH-VIFPVBQESA-N 0 0 208.257 2.081 10 0 BEAERN C=Cc1ccc(NC=CC(=O)OC)cc1 ZINC000206618602 345757907 /nfs/dbraw/zinc/75/79/07/345757907.db2.gz BYEZALQEPCJFPL-HJWRWDBZSA-N 0 0 203.241 2.428 10 0 BEAERN CCCC[C@H]1[C@H](O)CCC[C@@]12CCCC(=O)N2 ZINC000032136081 345726165 /nfs/dbraw/zinc/72/61/65/345726165.db2.gz RXNILULQSMPSOF-OUCADQQQSA-N 0 0 239.359 2.377 10 0 BEAERN O=C1Nc2ccc(Cl)cc2S[C@@H]1CCO ZINC000207386461 345758777 /nfs/dbraw/zinc/75/87/77/345758777.db2.gz VVWQZOAXRYKRPU-MRVPVSSYSA-N 0 0 243.715 2.135 10 0 BEAERN O=C(Nc1cnc(Cl)nc1)c1ccccc1 ZINC000136435639 345814028 /nfs/dbraw/zinc/81/40/28/345814028.db2.gz ZNNXIAGWWRCSAZ-UHFFFAOYSA-N 0 0 233.658 2.382 10 0 BEAERN Oc1ccc2c(c1)CC[C@H]2Cc1c[nH]cn1 ZINC000033979416 345814864 /nfs/dbraw/zinc/81/48/64/345814864.db2.gz VKGOZWQNMQSNNR-VIFPVBQESA-N 0 0 214.268 2.388 10 0 BEAERN CCCOc1cccc(C([O-])=CC(=O)OC)c1 ZINC000034082110 345816160 /nfs/dbraw/zinc/81/61/60/345816160.db2.gz OBDACRGAIXSXLZ-UHFFFAOYSA-N 0 0 236.267 2.221 10 0 BEAERN CC(=O)N1CCCc2cc3[nH]ccc3cc21 ZINC000034076961 345816431 /nfs/dbraw/zinc/81/64/31/345816431.db2.gz PRUNLDOGKNWIJD-UHFFFAOYSA-N 0 0 214.268 2.467 10 0 BEAERN CC(=O)[C@@H](Cc1ccccc1)n1ccnc1 ZINC000034116700 345817244 /nfs/dbraw/zinc/81/72/44/345817244.db2.gz NZEZRHVNSMOLDU-CYBMUJFWSA-N 0 0 214.268 2.256 10 0 BEAERN Cc1c2c(c(C)c(C)c1O)O[C@](C)(CO)C2 ZINC000034276131 345820332 /nfs/dbraw/zinc/82/03/32/345820332.db2.gz VJFYUVSMBZTZMK-ZDUSSCGKSA-N 0 0 222.284 2.003 10 0 BEAERN OC[C@]1(c2ccccc2)COc2ccccc2O1 ZINC000034240301 345820434 /nfs/dbraw/zinc/82/04/34/345820434.db2.gz HTFLXNWDWOANAY-OAHLLOKOSA-N 0 0 242.274 2.346 10 0 BEAERN COC(=O)[C@]1(O)CCCC[C@H]1C(C)(C)C ZINC000050974903 345767893 /nfs/dbraw/zinc/76/78/93/345767893.db2.gz YCYCFFASFQXDDV-CABZTGNLSA-N 0 0 214.305 2.127 10 0 BEAERN OCc1ncc(NC2CC2)c2ccsc21 ZINC000118620053 345771413 /nfs/dbraw/zinc/77/14/13/345771413.db2.gz OJFQRBSVHZSPJG-UHFFFAOYSA-N 0 0 220.297 2.363 10 0 BEAERN c1cc2c(c(OC[C@H]3CCCO3)c1)CCN2 ZINC000258075909 345779976 /nfs/dbraw/zinc/77/99/76/345779976.db2.gz QQTZNUSFWDZNRZ-SNVBAGLBSA-N 0 0 219.284 2.212 10 0 BEAERN C[C@H]1CCn2cc([C@@H]3CCCC[NH2+]3)nc2C1 ZINC000258142958 345780149 /nfs/dbraw/zinc/78/01/49/345780149.db2.gz DDPRCFAYPXNLIP-QWRGUYRKSA-N 0 0 219.332 2.280 10 0 BEAERN COC(=O)C(C)(C)Cc1ccc(O)cc1C ZINC000167775084 345799399 /nfs/dbraw/zinc/79/93/99/345799399.db2.gz HORKCAAACWUNRP-UHFFFAOYSA-N 0 0 222.284 2.442 10 0 BEAERN C=CC(=O)OCc1ccc(COC(=O)C=C)cc1 ZINC000137290729 345841671 /nfs/dbraw/zinc/84/16/71/345841671.db2.gz UJTHMGMWSSOKMD-UHFFFAOYSA-N 0 0 246.262 2.145 10 0 BEAERN N#CC[C@@H](O)c1cc(Br)cs1 ZINC000215833200 345849189 /nfs/dbraw/zinc/84/91/89/345849189.db2.gz BKLAKZRPCUBNEE-ZCFIWIBFSA-N 0 0 232.102 2.458 10 0 BEAERN COc1ccc2oc(-c3ccc(N)nn3)cc2c1 ZINC000140681012 345857040 /nfs/dbraw/zinc/85/70/40/345857040.db2.gz PAAHSWQSYPOWCP-UHFFFAOYSA-N 0 0 241.250 2.481 10 0 BEAERN O=C(c1ccc(F)cc1)[C@H](O)c1ccncc1 ZINC000141320516 345859979 /nfs/dbraw/zinc/85/99/79/345859979.db2.gz MBCZUXVTIWVZST-CYBMUJFWSA-N 0 0 231.226 2.137 10 0 BEAERN COCc1cc(=O)c(OCc2ccccc2)co1 ZINC000034507631 345830259 /nfs/dbraw/zinc/83/02/59/345830259.db2.gz CHLBKHMFHRRPAY-UHFFFAOYSA-N 0 0 246.262 2.365 10 0 BEAERN COc1ccc([C@@H]2CO[C@H](OC)C2)cc1 ZINC000034535188 345831139 /nfs/dbraw/zinc/83/11/39/345831139.db2.gz MJVCJSQDNJHGFL-JQWIXIFHSA-N 0 0 208.257 2.172 10 0 BEAERN COC(=O)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034573888 345832798 /nfs/dbraw/zinc/83/27/98/345832798.db2.gz MVLMYOQNOTVJFH-UHFFFAOYSA-N 0 0 232.157 2.061 10 0 BEAERN FC(F)(F)Oc1nc(Cl)nc(Cl)n1 ZINC000034581623 345833065 /nfs/dbraw/zinc/83/30/65/345833065.db2.gz BNIMQJMDSIQXOK-UHFFFAOYSA-N 0 0 233.964 2.077 10 0 BEAERN COC(=O)[C@@H](C)c1ccc(CCCCO)cc1 ZINC000034433090 345833539 /nfs/dbraw/zinc/83/35/39/345833539.db2.gz PLSUDGYVHTVTAD-NSHDSACASA-N 0 0 236.311 2.278 10 0 BEAERN CC(=O)O[C@H](C)CCc1ccc(O)cc1 ZINC000034484939 345835318 /nfs/dbraw/zinc/83/53/18/345835318.db2.gz SIAARBXVWRWGGR-SECBINFHSA-N 0 0 208.257 2.276 10 0 BEAERN CCOC(=O)CNCC(C)(C)c1cccc(C)c1 ZINC000034485858 345835794 /nfs/dbraw/zinc/83/57/94/345835794.db2.gz GIDCUCUYDLBGSZ-UHFFFAOYSA-N 0 0 249.354 2.425 10 0 BEAERN O=C(Cc1ccc2ncccc2n1)c1ccccn1 ZINC000137275208 345840900 /nfs/dbraw/zinc/84/09/00/345840900.db2.gz LTSOKFMIONHZTF-UHFFFAOYSA-N 0 0 249.273 2.450 10 0 BEAERN COC(=O)c1ccc(CCC(F)(F)F)nc1 ZINC000143260108 345865198 /nfs/dbraw/zinc/86/51/98/345865198.db2.gz KNRAVOALRHBIGB-UHFFFAOYSA-N 0 0 233.189 2.363 10 0 BEAERN COC(=O)c1cc(C)c2cc(F)ccc2n1 ZINC000082769805 537916411 /nfs/dbraw/zinc/91/64/11/537916411.db2.gz AVKNIIDAMSOLOO-UHFFFAOYSA-N 0 0 219.215 2.469 10 0 BEAERN NNC(=O)[C@H]1CC[C@@H](c2ccc(F)cc2)CC1 ZINC000142781273 345875809 /nfs/dbraw/zinc/87/58/09/345875809.db2.gz QIDDAWYMEOPKOZ-HOMQSWHASA-N 0 0 236.290 2.089 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CC1CCC2CC1 ZINC000307094025 537920684 /nfs/dbraw/zinc/92/06/84/537920684.db2.gz BSEQNTQIUUFVIA-MQBNAMFZSA-N 0 0 230.691 2.074 10 0 BEAERN CC(C)c1cccc(-n2cc(C=O)nn2)c1 ZINC000085272221 345929190 /nfs/dbraw/zinc/92/91/90/345929190.db2.gz ZZNSGSFHJHWZFL-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN Cc1ccc2c(c1)CCC[C@H]1NC(=O)O[C@@H]21 ZINC000026639105 178944160 /nfs/dbraw/zinc/94/41/60/178944160.db2.gz ITQUSTJJRTZBIL-NEPJUHHUSA-N 0 0 217.268 2.481 10 0 BEAERN Cc1ccc2c(c1)C(=O)N(c1ccccn1)C2=O ZINC000013235403 178944886 /nfs/dbraw/zinc/94/48/86/178944886.db2.gz RPBYYFDYGZKFFZ-UHFFFAOYSA-N 0 0 238.246 2.191 10 0 BEAERN CC(C)c1ccc(-n2cc(C=O)nn2)cc1 ZINC000085272246 345929954 /nfs/dbraw/zinc/92/99/54/345929954.db2.gz RSISIYCKZDKLDS-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN Fc1cncc(-c2cc(Cl)ncn2)c1 ZINC000084025548 345920676 /nfs/dbraw/zinc/92/06/76/345920676.db2.gz COSBGOWESKHFPQ-UHFFFAOYSA-N 0 0 209.611 2.331 10 0 BEAERN CC(C)Cc1nnc(-c2ncccn2)nc1Cl ZINC000144581962 345922952 /nfs/dbraw/zinc/92/29/52/345922952.db2.gz RIFILQUFVOZRMR-UHFFFAOYSA-N 0 0 249.705 2.181 10 0 BEAERN CCOC(=O)C1=C(O)C2(CCCC2)CC1 ZINC000307045705 537920296 /nfs/dbraw/zinc/92/02/96/537920296.db2.gz WMULSTYRCCOBPD-VIFPVBQESA-N 0 0 210.273 2.089 10 0 BEAERN CCC[C@@H](CC(C)C)C(=O)N1CC=CCN1 ZINC000628220001 345954605 /nfs/dbraw/zinc/95/46/05/345954605.db2.gz GSBZWSTUQGXSHO-LBPRGKRZSA-N 0 0 224.348 2.352 10 0 BEAERN COC(=O)[C@H](C)c1ccc(F)c(F)c1F ZINC000061837978 345957663 /nfs/dbraw/zinc/95/76/63/345957663.db2.gz LSXWXTKHSAMXAE-RXMQYKEDSA-N 0 0 218.174 2.380 10 0 BEAERN Cc1cccc(C(=O)N2CC=CCN2)c1Cl ZINC000628222023 345959959 /nfs/dbraw/zinc/95/99/59/345959959.db2.gz DPGYYBLPPNWSEG-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN Cc1cccc(Sc2ncc[nH]2)c1N ZINC000235926273 345962105 /nfs/dbraw/zinc/96/21/05/345962105.db2.gz WSBGFQVUAPLJMF-UHFFFAOYSA-N 0 0 205.286 2.452 10 0 BEAERN Cc1cnnc(NCc2cccs2)c1 ZINC000235922982 345962228 /nfs/dbraw/zinc/96/22/28/345962228.db2.gz VPPDKDDTVSJCGK-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CCCC(CCC)C(=O)N1CC=CCN1 ZINC000628223069 345962742 /nfs/dbraw/zinc/96/27/42/345962742.db2.gz QBOWUHOTXZWQRS-UHFFFAOYSA-N 0 0 210.321 2.106 10 0 BEAERN Cc1nccnc1-c1csc(=S)[nH]1 ZINC000235835769 345944809 /nfs/dbraw/zinc/94/48/09/345944809.db2.gz SSLNWWNYQAZWKT-UHFFFAOYSA-N 0 0 209.299 2.197 10 0 BEAERN CC1(C)CCC[C@H](NC(=O)n2ccnc2)C1 ZINC000166906750 345949746 /nfs/dbraw/zinc/94/97/46/345949746.db2.gz XPVSFCXSYMILEH-JTQLQIEISA-N 0 0 221.304 2.410 10 0 BEAERN CC1(C)CCCC[C@H]1C(=O)N1CC=CCN1 ZINC000628220609 345951653 /nfs/dbraw/zinc/95/16/53/345951653.db2.gz CZFSNGGVGBGYMN-NSHDSACASA-N 0 0 222.332 2.106 10 0 BEAERN O=C(C(C1CCC1)C1CCC1)N1CC=CCN1 ZINC000628220701 345952361 /nfs/dbraw/zinc/95/23/61/345952361.db2.gz GMNCEMPHHLVSQZ-UHFFFAOYSA-N 0 0 234.343 2.106 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1CCC=CCC1 ZINC000635709393 345997408 /nfs/dbraw/zinc/99/74/08/345997408.db2.gz DRAVIAVWTCQRJY-OLZOCXBDSA-N 0 0 237.343 2.153 10 0 BEAERN COC(OC)[C@@H]1CCCCC(C)(C)C1=O ZINC000719285717 537931508 /nfs/dbraw/zinc/93/15/08/537931508.db2.gz NQRAKLYOUMGSNZ-SECBINFHSA-N 0 0 214.305 2.391 10 0 BEAERN O[C@H]1CCCc2c1ccn2CC(F)F ZINC000148043002 346032378 /nfs/dbraw/zinc/03/23/78/346032378.db2.gz UNKQQHBYYUYVLP-VIFPVBQESA-N 0 0 201.216 2.123 10 0 BEAERN CCN1CCc2c3ccccc3[nH]c2[C@@H]1CO ZINC000095890856 346076925 /nfs/dbraw/zinc/07/69/25/346076925.db2.gz QVFPTENMBQXQMK-ZDUSSCGKSA-N 0 0 230.311 2.079 10 0 BEAERN C[C@@H]1Oc2cc(F)c(Br)cc2[C@H]1O ZINC000148424343 346107958 /nfs/dbraw/zinc/10/79/58/346107958.db2.gz NTOGOVAYUFKNDL-IGJIYHIXSA-N 0 0 247.063 2.403 10 0 BEAERN Fc1c[nH]c2ccnc(Br)c12 ZINC000096320865 346112048 /nfs/dbraw/zinc/11/20/48/346112048.db2.gz JQMJJIRVCODZMB-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN CCOC(=O)c1noc2cccc(F)c21 ZINC000096321015 346113026 /nfs/dbraw/zinc/11/30/26/346113026.db2.gz ALGASGVRNNVFTN-UHFFFAOYSA-N 0 0 209.176 2.144 10 0 BEAERN COC(=O)C1(C[C@H]2CO2)CCC(C)CC1 ZINC000669371831 537949280 /nfs/dbraw/zinc/94/92/80/537949280.db2.gz ATDYHEAZQLSOMM-YZRBJQDESA-N 0 0 212.289 2.145 10 0 BEAERN O=C(N1CC=CCN1)C12CC3CC(CC(C3)C1)C2 ZINC000628226261 346173059 /nfs/dbraw/zinc/17/30/59/346173059.db2.gz HDNIVWPAJIEHDX-UHFFFAOYSA-N 0 0 246.354 2.106 10 0 BEAERN O=C(N1CC=CCN1)C1(c2ccccc2)CCC1 ZINC000628226108 346173109 /nfs/dbraw/zinc/17/31/09/346173109.db2.gz AOXAPMQRQSPZBF-UHFFFAOYSA-N 0 0 242.322 2.011 10 0 BEAERN COC(=O)C1(C[C@H]2CO2)CCCCCC1 ZINC000669372726 537950485 /nfs/dbraw/zinc/95/04/85/537950485.db2.gz XMFVAUVFGNUVHL-JTQLQIEISA-N 0 0 212.289 2.289 10 0 BEAERN O=C([C@@H]1CCCc2ccccc21)N1CC=CCN1 ZINC000628225597 346177065 /nfs/dbraw/zinc/17/70/65/346177065.db2.gz GOGNJJSENYPSFP-CQSZACIVSA-N 0 0 242.322 2.010 10 0 BEAERN Cc1cccc(-c2noc([C@H](N)CC(C)C)n2)n1 ZINC000104165353 179000022 /nfs/dbraw/zinc/00/00/22/179000022.db2.gz YWZKAXNZQCVUKE-SNVBAGLBSA-N 0 0 246.314 2.486 10 0 BEAERN COC(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000062104552 346201308 /nfs/dbraw/zinc/20/13/08/346201308.db2.gz FVWIRSWJWBLDAH-VIFPVBQESA-N 0 0 205.257 2.452 10 0 BEAERN Cc1nn(-c2cccc(C)c2)c(C)c1N ZINC000032010017 179001556 /nfs/dbraw/zinc/00/15/56/179001556.db2.gz QZOVROLTCHDEMG-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN NNCc1cc(Cl)cc(Br)c1 ZINC000236194254 346206281 /nfs/dbraw/zinc/20/62/81/346206281.db2.gz GRBNZJYXUFGULW-UHFFFAOYSA-N 0 0 235.512 2.066 10 0 BEAERN CNS(=O)(=O)[C@H]1CCC[C@@H](CC(C)C)C1 ZINC000669375498 537956418 /nfs/dbraw/zinc/95/64/18/537956418.db2.gz LYFKLCVUOKEHSF-QWRGUYRKSA-N 0 0 233.377 2.141 10 0 BEAERN O=C1C[C@@H](c2ccc(F)cc2Br)N1 ZINC000236227567 346212675 /nfs/dbraw/zinc/21/26/75/346212675.db2.gz UOZKIXVUSKXWIP-QMMMGPOBSA-N 0 0 244.063 2.149 10 0 BEAERN CO[C@@H](C)CNc1ccc(F)cc1F ZINC000166991010 346180285 /nfs/dbraw/zinc/18/02/85/346180285.db2.gz ZHCXWYPKCWVZIH-ZETCQYMHSA-N 0 0 201.216 2.412 10 0 BEAERN Cc1nc(N)c2cc(F)cc(Cl)c2n1 ZINC000235971577 346180367 /nfs/dbraw/zinc/18/03/67/346180367.db2.gz VCRIBBHEVLUYOS-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN Clc1nsnc1N[C@H]1CCO[C@@H]1C1CC1 ZINC000236034944 346185150 /nfs/dbraw/zinc/18/51/50/346185150.db2.gz OVJYVVJMKGUAOC-NKWVEPMBSA-N 0 0 245.735 2.171 10 0 BEAERN Cc1c(N)c[nH]c(=S)c1Br ZINC000167047036 346185984 /nfs/dbraw/zinc/18/59/84/346185984.db2.gz XCYATBBKOYHSOV-UHFFFAOYSA-N 0 0 219.107 2.023 10 0 BEAERN Clc1cc(Sc2ncc[nH]2)ncn1 ZINC000236068171 346187523 /nfs/dbraw/zinc/18/75/23/346187523.db2.gz MHEDTTIOIJIDND-UHFFFAOYSA-N 0 0 212.665 2.004 10 0 BEAERN Cc1cccc(-c2nnc(N)s2)c1C ZINC000019874323 178997805 /nfs/dbraw/zinc/99/78/05/178997805.db2.gz TUWBBKHQIJSMFE-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN O=C1CCC[C@H]1SC1CCOCC1 ZINC000062055334 346194496 /nfs/dbraw/zinc/19/44/96/346194496.db2.gz IVJKSBVSESEKOB-SNVBAGLBSA-N 0 0 200.303 2.020 10 0 BEAERN O=Cc1cc(F)cc(N2CC=CCC2)c1 ZINC000236238640 346214232 /nfs/dbraw/zinc/21/42/32/346214232.db2.gz LTRZTPYEGYHDBK-UHFFFAOYSA-N 0 0 205.232 2.405 10 0 BEAERN CCCC(=O)N1c2ccc(N)cc2C[C@H]1C ZINC000036742419 168545956 /nfs/dbraw/zinc/54/59/56/168545956.db2.gz YHVAHQCOWLWWIH-SECBINFHSA-N 0 0 218.300 2.347 10 0 BEAERN O=C(C(F)F)N1CC[C@@H]2CCCC[C@H]21 ZINC000236132693 346197111 /nfs/dbraw/zinc/19/71/11/346197111.db2.gz XQYWVYHFNDWMFZ-JGVFFNPUSA-N 0 0 203.232 2.043 10 0 BEAERN Cc1cccc(C(=O)N(C)CC2CCC2)c1N ZINC000061453453 179004410 /nfs/dbraw/zinc/00/44/10/179004410.db2.gz VCKXJAAQDZWZKL-UHFFFAOYSA-N 0 0 232.327 2.449 10 0 BEAERN Nc1cc(NCc2ccsc2)sn1 ZINC000236366571 346232942 /nfs/dbraw/zinc/23/29/42/346232942.db2.gz SOXQSRMTCLVNBQ-UHFFFAOYSA-N 0 0 211.315 2.399 10 0 BEAERN Nc1nnc(-c2csc(Br)c2)o1 ZINC000236383722 346233129 /nfs/dbraw/zinc/23/31/29/346233129.db2.gz XFNQROHQGFQQNI-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN Nc1cnc(NCC2(C3CC3)CC2)s1 ZINC000236387628 346233811 /nfs/dbraw/zinc/23/38/11/346233811.db2.gz JJUFMYLCGFPWLI-UHFFFAOYSA-N 0 0 209.318 2.327 10 0 BEAERN C[C@@H]1C[C@@H]1CNc1nnc(Br)s1 ZINC000167221777 346216681 /nfs/dbraw/zinc/21/66/81/346216681.db2.gz YEKGXEAPCKZZBR-RFZPGFLSSA-N 0 0 248.149 2.369 10 0 BEAERN CC[C@H](CC1CCCCC1)S(N)(=O)=O ZINC000669375815 537958338 /nfs/dbraw/zinc/95/83/38/537958338.db2.gz VQGIHSQYEKJVES-SNVBAGLBSA-N 0 0 219.350 2.024 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@@H](C)C2)c1N ZINC000022142956 179008074 /nfs/dbraw/zinc/00/80/74/179008074.db2.gz XCJHHJQUYOZXKX-SNVBAGLBSA-N 0 0 232.327 2.449 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@H](O)[C@H]2C)c1C ZINC000336233908 179008226 /nfs/dbraw/zinc/00/82/26/179008226.db2.gz ZBKDWDXPPPEAHC-OCCSQVGLSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1cccc(C(=O)N2CC[C@H](C)C2)c1N ZINC000040716636 179011412 /nfs/dbraw/zinc/01/14/12/179011412.db2.gz XGYMIRBPFMYYIF-VIFPVBQESA-N 0 0 218.300 2.059 10 0 BEAERN O[C@H](c1cscn1)c1ccc(F)cc1 ZINC000062359161 346242561 /nfs/dbraw/zinc/24/25/61/346242561.db2.gz HSXVVHBJPHMROK-JTQLQIEISA-N 0 0 209.245 2.364 10 0 BEAERN Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]32)c1O ZINC000336319544 179012263 /nfs/dbraw/zinc/01/22/63/179012263.db2.gz AOKVRMWCIUZWFI-CMPLNLGQSA-N 0 0 231.295 2.325 10 0 BEAERN CC(C)[C@@H](C)Nc1nccc2nccnc21 ZINC000621243966 349945844 /nfs/dbraw/zinc/94/58/44/349945844.db2.gz YEIFDAAUCSXWRW-SECBINFHSA-N 0 0 216.288 2.481 10 0 BEAERN OCc1nc(-c2csc(Cl)c2)c[nH]1 ZINC000236514865 346247225 /nfs/dbraw/zinc/24/72/25/346247225.db2.gz YLEBBOZNHAXKHZ-UHFFFAOYSA-N 0 0 214.677 2.284 10 0 BEAERN O=C([C@@H](O)c1ccccc1)C1CCCC1 ZINC000236551498 346250038 /nfs/dbraw/zinc/25/00/38/346250038.db2.gz GLKCZBJRZSDOHK-LBPRGKRZSA-N 0 0 204.269 2.479 10 0 BEAERN Cc1cccc(C(=O)NC2CCC(O)CC2)c1 ZINC000035101243 179014167 /nfs/dbraw/zinc/01/41/67/179014167.db2.gz YRTLBWAAIIFPNK-UHFFFAOYSA-N 0 0 233.311 2.028 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCC12CCCCC2 ZINC000669376481 537960965 /nfs/dbraw/zinc/96/09/65/537960965.db2.gz VFDBKPJPTPWAQU-JTQLQIEISA-N 0 0 231.361 2.039 10 0 BEAERN Cc1cccc(C(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000268642554 179017102 /nfs/dbraw/zinc/01/71/02/179017102.db2.gz CBKZHESVCPTBTG-GFCCVEGCSA-N 0 0 235.327 2.132 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000225666192 179024398 /nfs/dbraw/zinc/02/43/98/179024398.db2.gz IYXZVDIMODEALI-KBPBESRZSA-N 0 0 247.338 2.276 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1F ZINC000161580797 179024401 /nfs/dbraw/zinc/02/44/01/179024401.db2.gz QNUXDVHVCLCGSF-WPRPVWTQSA-N 0 0 207.248 2.272 10 0 BEAERN CNc1nc([C@H](OC)C(C)(C)C)ns1 ZINC000158928208 346267730 /nfs/dbraw/zinc/26/77/30/346267730.db2.gz JWQPXFZAZHMXKA-LURJTMIESA-N 0 0 215.322 2.313 10 0 BEAERN CC1(C)CC=C([C@@](O)(CO)C(F)(F)F)CC1 ZINC000675052619 537963799 /nfs/dbraw/zinc/96/37/99/537963799.db2.gz HAAUBCWOVPNAIX-JTQLQIEISA-N 0 0 238.249 2.409 10 0 BEAERN Cc1cnc2ccc(Br)nc2n1 ZINC000307400925 229562838 /nfs/dbraw/zinc/56/28/38/229562838.db2.gz BIXCSPFNPCXENO-UHFFFAOYSA-N 0 0 224.061 2.096 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)[C@@H](C)CO)c1C ZINC000133487304 179021807 /nfs/dbraw/zinc/02/18/07/179021807.db2.gz NCOZRLCRENVFNR-JQWIXIFHSA-N 0 0 235.327 2.050 10 0 BEAERN CCCC(=O)[C@H](N)c1ccc(OC)cc1 ZINC000669376826 537962674 /nfs/dbraw/zinc/96/26/74/537962674.db2.gz VKVVZVHQPNZKGG-GFCCVEGCSA-N 0 0 207.273 2.064 10 0 BEAERN CCOC(=O)c1ccnc(C(C)(C)CC)n1 ZINC000669378457 537966624 /nfs/dbraw/zinc/96/66/24/537966624.db2.gz GRRUHGBCTKUZDY-UHFFFAOYSA-N 0 0 222.288 2.341 10 0 BEAERN S=c1ccnc([C@H]2CSCCS2)[nH]1 ZINC000236709851 346295264 /nfs/dbraw/zinc/29/52/64/346295264.db2.gz UVOPBBSJAZHSBJ-ZCFIWIBFSA-N 0 0 230.383 2.286 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C1CCC=CCC1 ZINC000636053016 346300024 /nfs/dbraw/zinc/30/00/24/346300024.db2.gz NEIBLLKSWPEUNF-AAEUAGOBSA-N 0 0 237.343 2.105 10 0 BEAERN CC1(C)CNC(=O)c2ccc(Cl)cc21 ZINC000215936121 349948955 /nfs/dbraw/zinc/94/89/55/349948955.db2.gz RUQFDHNMAVSGJE-UHFFFAOYSA-N 0 0 209.676 2.361 10 0 BEAERN Cc1cccc(C)c1C(=O)N1CCC[C@@H](O)[C@H]1C ZINC000297868313 179029980 /nfs/dbraw/zinc/02/99/80/179029980.db2.gz ZIVZXXWGNQTLMX-CHWSQXEVSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@@H](c1ccncc1)N1CCC(=O)[C@@H](C)C1 ZINC000049693731 488314302 /nfs/dbraw/zinc/31/43/02/488314302.db2.gz SOUQNDSSMUNRBD-QWRGUYRKSA-N 0 0 218.300 2.054 10 0 BEAERN Cc1cccc(C)c1OCc1nnc(N)s1 ZINC000004227413 179047565 /nfs/dbraw/zinc/04/75/65/179047565.db2.gz ODCBMJLDADALRT-UHFFFAOYSA-N 0 0 235.312 2.316 10 0 BEAERN Cc1cccc(CCC(=O)N2CCCO2)c1 ZINC000125470950 179052600 /nfs/dbraw/zinc/05/26/00/179052600.db2.gz JOFGXBUDUIDCCK-UHFFFAOYSA-N 0 0 219.284 2.092 10 0 BEAERN Cc1cccc(CCNC(=O)N[C@H]2C[C@H]2C)c1 ZINC000075980029 179057354 /nfs/dbraw/zinc/05/73/54/179057354.db2.gz XSNHXFCTSMAQNN-YPMHNXCESA-N 0 0 232.327 2.245 10 0 BEAERN O=C(NC1(C(F)(F)F)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300703434 346343182 /nfs/dbraw/zinc/34/31/82/346343182.db2.gz PMGVCPCQOJTWAJ-RNLVFQAGSA-N 0 0 233.233 2.244 10 0 BEAERN Cc1cccc(C2=CCS(=O)(=O)C2)c1C ZINC000040173742 179050190 /nfs/dbraw/zinc/05/01/90/179050190.db2.gz GHENIODWRJOOLI-UHFFFAOYSA-N 0 0 222.309 2.115 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)NCc1cccc(C)c1 ZINC000048266416 179088943 /nfs/dbraw/zinc/08/89/43/179088943.db2.gz UMVLHQWSQQTFGQ-UHFFFAOYSA-N 0 0 243.310 2.265 10 0 BEAERN CC(C)N(C)c1cc(Br)ncn1 ZINC000160509745 346455829 /nfs/dbraw/zinc/45/58/29/346455829.db2.gz VASJRDAVAFYPDE-UHFFFAOYSA-N 0 0 230.109 2.084 10 0 BEAERN CCOC(=O)C1CCN(c2ncccc2C)CC1 ZINC000051041431 346460550 /nfs/dbraw/zinc/46/05/50/346460550.db2.gz BILVVMDGIDUZOL-UHFFFAOYSA-N 0 0 248.326 2.170 10 0 BEAERN Cc1cccc(CNCc2ncccn2)c1 ZINC000054459284 179095075 /nfs/dbraw/zinc/09/50/75/179095075.db2.gz RGHAJRVTYSKFNN-UHFFFAOYSA-N 0 0 213.284 2.075 10 0 BEAERN COc1cc(CO)c(F)cc1Br ZINC000148896994 346479627 /nfs/dbraw/zinc/47/96/27/346479627.db2.gz YZOGHNYIPBLBAM-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN [O-][n+]1ccc2cccc(Br)c2c1 ZINC000148591420 346502376 /nfs/dbraw/zinc/50/23/76/346502376.db2.gz GKHHEHRICGMJJN-UHFFFAOYSA-N 0 0 224.057 2.236 10 0 BEAERN Cc1cc(Br)c(N(C)C)cc1N ZINC000162006784 346506268 /nfs/dbraw/zinc/50/62/68/346506268.db2.gz VSASFTOFZHENND-UHFFFAOYSA-N 0 0 229.121 2.406 10 0 BEAERN Cc1cc(Br)c(O)cc1N ZINC000162012881 346506401 /nfs/dbraw/zinc/50/64/01/346506401.db2.gz HEUVMTGKWXAQCC-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN O=C1CCSc2c(F)c(F)ccc2N1 ZINC000162406152 346522110 /nfs/dbraw/zinc/52/21/10/346522110.db2.gz MCPYSVCPAAVYGG-UHFFFAOYSA-N 0 0 215.224 2.399 10 0 BEAERN Cc1cccc(CNc2cc(Cl)ncn2)n1 ZINC000051577593 179102177 /nfs/dbraw/zinc/10/21/77/179102177.db2.gz IUMRUUZEJXHOGY-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN Cc1cccc(CNc2ccnc(Cl)n2)n1 ZINC000051850405 179103009 /nfs/dbraw/zinc/10/30/09/179103009.db2.gz WRCXTLLZPKPDRR-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN O=C(c1ccc(Cl)s1)c1cnns1 ZINC000161575277 346493373 /nfs/dbraw/zinc/49/33/73/346493373.db2.gz XNIHYBKDQWFOJR-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN Cc1cc(C=O)ccc1-c1cnn(C)c1 ZINC000161624104 346494093 /nfs/dbraw/zinc/49/40/93/346494093.db2.gz HDKQNYRCPXXORL-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN CC1=CC(Br)=CN2CC(=O)N=C12 ZINC000402791791 346522822 /nfs/dbraw/zinc/52/28/22/346522822.db2.gz HKPWYFSDBWVXFQ-UHFFFAOYSA-N 0 0 227.061 2.111 10 0 BEAERN CN[C@@H](c1ccncc1F)C(F)(F)F ZINC000161711655 346497205 /nfs/dbraw/zinc/49/72/05/346497205.db2.gz OKMOPTILFQJQIY-ZETCQYMHSA-N 0 0 208.158 2.044 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@H]1CC1(C)C ZINC000045114978 179118742 /nfs/dbraw/zinc/11/87/42/179118742.db2.gz LTZSOLNCPVKCSO-JTQLQIEISA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)[C@@H](C)C1CC1 ZINC000036782809 179119341 /nfs/dbraw/zinc/11/93/41/179119341.db2.gz YCNYFAMSCVUJBB-JTQLQIEISA-N 0 0 232.327 2.448 10 0 BEAERN Cc1cccc(N)c1C(=O)Nc1ccccn1 ZINC000022217261 179118830 /nfs/dbraw/zinc/11/88/30/179118830.db2.gz MRYNLXATXABAGL-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Cc1cccc(N)c1C(=O)Nc1cccnc1 ZINC000022220531 179119122 /nfs/dbraw/zinc/11/91/22/179119122.db2.gz KYZXIZVSJXRHMF-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Cn1cncc1-c1nc(C2CC2)cs1 ZINC000164713752 346619664 /nfs/dbraw/zinc/61/96/64/346619664.db2.gz AQRWTCNVWIOZNI-UHFFFAOYSA-N 0 0 205.286 2.421 10 0 BEAERN N[C@@H](c1ccc(Cl)s1)c1cnns1 ZINC000164718054 346619811 /nfs/dbraw/zinc/61/98/11/346619811.db2.gz VDVOYPIIVVWJJK-ZETCQYMHSA-N 0 0 231.733 2.301 10 0 BEAERN CCCC(CCC)n1ncc(C=O)c1N ZINC000725242245 537984400 /nfs/dbraw/zinc/98/44/00/537984400.db2.gz PFHMLVHTLSBMOD-UHFFFAOYSA-N 0 0 209.293 2.419 10 0 BEAERN Cc1cccc(N2C(=O)N3CCC[C@]3(C)C2=O)c1 ZINC000181933524 179121219 /nfs/dbraw/zinc/12/12/19/179121219.db2.gz GINCCIOINWMNQP-CQSZACIVSA-N 0 0 244.294 2.316 10 0 BEAERN CC(=O)CCC(=O)N(C)Cc1ccc(F)cc1 ZINC000201884275 346577239 /nfs/dbraw/zinc/57/72/39/346577239.db2.gz SLKLFHQWDSKXII-UHFFFAOYSA-N 0 0 237.274 2.153 10 0 BEAERN CC(=O)CCC(=O)NCCC1CCCC1 ZINC000203075968 346620202 /nfs/dbraw/zinc/62/02/02/346620202.db2.gz POEQGPLDFSNZHD-UHFFFAOYSA-N 0 0 211.305 2.052 10 0 BEAERN C[C@@]1(C(=O)[C@H]2CCCOC2)CCCS1 ZINC000164725424 346620376 /nfs/dbraw/zinc/62/03/76/346620376.db2.gz YGYGAMJWBZHTFU-ONGXEEELSA-N 0 0 214.330 2.268 10 0 BEAERN CC[C@H](O)CNc1ccc(N)cc1Cl ZINC000164107122 346591052 /nfs/dbraw/zinc/59/10/52/346591052.db2.gz XPPJYRMWEXTLHI-QMMMGPOBSA-N 0 0 214.696 2.105 10 0 BEAERN CCCc1csc(-c2cncn2C)n1 ZINC000164732546 346621462 /nfs/dbraw/zinc/62/14/62/346621462.db2.gz WBJKRZYLBCWHRP-UHFFFAOYSA-N 0 0 207.302 2.496 10 0 BEAERN Cc1cccc(N)c1C(=O)Nc1ccncc1 ZINC000019255211 179119415 /nfs/dbraw/zinc/11/94/15/179119415.db2.gz HMVWLCVMIZJVAA-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN C[C@@]1(C(=O)C[C@H]2CCCO2)CCCS1 ZINC000164753360 346623057 /nfs/dbraw/zinc/62/30/57/346623057.db2.gz PDBDFKKVZVQQKJ-KOLCDFICSA-N 0 0 214.330 2.410 10 0 BEAERN CC1(C)c2cc(Br)ccc2O[C@@H]1O ZINC000149144731 346567362 /nfs/dbraw/zinc/56/73/62/346567362.db2.gz VEBZDEWJLQJJDJ-VIFPVBQESA-N 0 0 243.100 2.438 10 0 BEAERN N[C@@H](c1cnsn1)c1ccc(Cl)s1 ZINC000164716137 346619502 /nfs/dbraw/zinc/61/95/02/346619502.db2.gz NMJTZZMOKLWKEV-ZETCQYMHSA-N 0 0 231.733 2.301 10 0 BEAERN N[C@H](c1ccc(Cl)s1)c1cnns1 ZINC000164718180 346619589 /nfs/dbraw/zinc/61/95/89/346619589.db2.gz VDVOYPIIVVWJJK-SSDOTTSWSA-N 0 0 231.733 2.301 10 0 BEAERN Nc1cc(Cc2ccc(F)cc2)cnc1C=O ZINC000585672686 346652622 /nfs/dbraw/zinc/65/26/22/346652622.db2.gz PCZAGAOYYVTNDM-UHFFFAOYSA-N 0 0 230.242 2.206 10 0 BEAERN COC(=O)c1sc(-c2ccco2)cc1N ZINC000034505191 346657210 /nfs/dbraw/zinc/65/72/10/346657210.db2.gz QAXKHFHFABONNE-UHFFFAOYSA-N 0 0 223.253 2.377 10 0 BEAERN O=C1[C@@H](c2ccccc2)CCN1CC1CC1 ZINC000165795330 346658401 /nfs/dbraw/zinc/65/84/01/346658401.db2.gz QOPXXEHQROHCNN-CYBMUJFWSA-N 0 0 215.296 2.413 10 0 BEAERN CCc1nc(CNC(=O)N(CC)CC)cs1 ZINC000107855393 346663418 /nfs/dbraw/zinc/66/34/18/346663418.db2.gz DKQZAZKCKSFBHL-UHFFFAOYSA-N 0 0 241.360 2.257 10 0 BEAERN Cc1cccc(NC(=O)Cn2cccc2C=O)c1 ZINC000033508505 179130617 /nfs/dbraw/zinc/13/06/17/179130617.db2.gz NPDRWXUUDAJQIP-UHFFFAOYSA-N 0 0 242.278 2.248 10 0 BEAERN OC[C@H]1CCCCN1c1nc(Cl)cs1 ZINC000165125533 346642541 /nfs/dbraw/zinc/64/25/41/346642541.db2.gz REBMTRYZFKTPLO-SSDOTTSWSA-N 0 0 232.736 2.148 10 0 BEAERN COc1ccc(-c2cncc(N)c2C)cc1C=O ZINC000725242614 537985367 /nfs/dbraw/zinc/98/53/67/537985367.db2.gz MMGLKMOUGPHRFJ-UHFFFAOYSA-N 0 0 242.278 2.460 10 0 BEAERN Cc1cccc(NCCC(N)=S)c1C ZINC000041218055 179144309 /nfs/dbraw/zinc/14/43/09/179144309.db2.gz VVYQFMMBJHMKBT-UHFFFAOYSA-N 0 0 208.330 2.392 10 0 BEAERN COC[C@H](C)Nc1cnccc1Cl ZINC000166692686 346686433 /nfs/dbraw/zinc/68/64/33/346686433.db2.gz YFPAHHQZAUDHLJ-ZETCQYMHSA-N 0 0 200.669 2.182 10 0 BEAERN CSc1ccc(C(=O)c2cncn2C)cc1 ZINC000205731276 346692673 /nfs/dbraw/zinc/69/26/73/346692673.db2.gz VPABTKGDOXXAFO-UHFFFAOYSA-N 0 0 232.308 2.373 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115360611 370650114 /nfs/dbraw/zinc/65/01/14/370650114.db2.gz YAJRQKQXNXWZSM-OQPBUACISA-N 0 0 246.285 2.374 10 0 BEAERN CNc1cccc(C(=O)NCc2ccccc2)n1 ZINC000051068715 346740503 /nfs/dbraw/zinc/74/05/03/346740503.db2.gz GVAUFFYUQMYBOI-UHFFFAOYSA-N 0 0 241.294 2.053 10 0 BEAERN COC(=O)C1=C(O)[C@@H](c2ccccc2)CCC1 ZINC000168771058 346743207 /nfs/dbraw/zinc/74/32/07/346743207.db2.gz SZKVDOPDAHZUIS-VXGBXAGGSA-N 0 0 232.279 2.312 10 0 BEAERN Cc1cccc(Nc2ncccc2O)n1 ZINC000028526067 179159859 /nfs/dbraw/zinc/15/98/59/179159859.db2.gz AODXNCRHTIKLDN-UHFFFAOYSA-N 0 0 201.229 2.234 10 0 BEAERN Cc1cccc(Nc2ncnc(Cl)c2N)n1 ZINC000040571644 179160822 /nfs/dbraw/zinc/16/08/22/179160822.db2.gz ZNRBDYIIASFQQD-UHFFFAOYSA-N 0 0 235.678 2.159 10 0 BEAERN Cc1cccc(OCCC(=O)N2CCCO2)c1C ZINC000125423626 179164335 /nfs/dbraw/zinc/16/43/35/179164335.db2.gz LVNYLKDYQSBQTL-UHFFFAOYSA-N 0 0 249.310 2.236 10 0 BEAERN Cc1cccc(OCCNc2ccc(N)nc2)c1 ZINC000042895415 179169067 /nfs/dbraw/zinc/16/90/67/179169067.db2.gz FUEHSGXMENPURH-UHFFFAOYSA-N 0 0 243.310 2.463 10 0 BEAERN Cc1cccc([C@](C)(O)c2ncc[nH]2)c1C ZINC000116557257 347119024 /nfs/dbraw/zinc/11/90/24/347119024.db2.gz WJLSMUITHOBMGM-ZDUSSCGKSA-N 0 0 216.284 2.282 10 0 BEAERN C[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000038251903 347161088 /nfs/dbraw/zinc/16/10/88/347161088.db2.gz XNCQKVGNUJGIDK-NSHDSACASA-N 0 0 203.285 2.445 10 0 BEAERN Cc1cccc([C@@H](O)c2ccncc2)c1O ZINC000005579651 179187710 /nfs/dbraw/zinc/18/77/10/179187710.db2.gz XRBYOMOZCCPWDQ-ZDUSSCGKSA-N 0 0 215.252 2.177 10 0 BEAERN Cc1ccc(C[C@H](O)C(F)(F)F)cc1 ZINC000034590258 347181682 /nfs/dbraw/zinc/18/16/82/347181682.db2.gz HTJMQGPWWUJSOP-VIFPVBQESA-N 0 0 204.191 2.461 10 0 BEAERN Cc1ccc(C[C@@H](O)C(F)(F)F)cc1 ZINC000034590260 347181942 /nfs/dbraw/zinc/18/19/42/347181942.db2.gz HTJMQGPWWUJSOP-SECBINFHSA-N 0 0 204.191 2.461 10 0 BEAERN O=C([O-])[C@@]1(Cc2ccc(Cl)s2)CC[NH2+]C1 ZINC000062878655 347242484 /nfs/dbraw/zinc/24/24/84/347242484.db2.gz CJJMCUXEWOFDPW-SNVBAGLBSA-N 0 0 245.731 2.008 10 0 BEAERN CO[C@@H]1CCC[C@H]([C@H]2CSCC2=O)C1 ZINC000250445227 362805261 /nfs/dbraw/zinc/80/52/61/362805261.db2.gz CKWFLOMHFQPWTN-IVZWLZJFSA-N 0 0 214.330 2.124 10 0 BEAERN O=c1cc(O)cc(-c2ccc(Cl)cc2)[nH]1 ZINC000034616438 347298956 /nfs/dbraw/zinc/29/89/56/347298956.db2.gz PWCAJKOHMAPUIJ-UHFFFAOYSA-N 0 0 221.643 2.401 10 0 BEAERN Cc1cccc([C@H]2C=CS(=O)(=O)C2)c1C ZINC000040173738 179203187 /nfs/dbraw/zinc/20/31/87/179203187.db2.gz YNHNSGJZZXZAHV-NSHDSACASA-N 0 0 222.309 2.329 10 0 BEAERN Cc1cc2nc(CC(F)(F)F)nn2c(O)c1C ZINC000725242926 537988922 /nfs/dbraw/zinc/98/89/22/537988922.db2.gz ANPSIAJDZYEEFG-UHFFFAOYSA-N 0 0 245.204 2.157 10 0 BEAERN CC1(CC(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC000334505193 133659866 /nfs/dbraw/zinc/65/98/66/133659866.db2.gz PTTZNNXRZFDFLD-NEPJUHHUSA-N 0 0 249.354 2.204 10 0 BEAERN O=C(c1cccc(=O)[nH]1)N1CCCC12CCCC2 ZINC000310885382 347316544 /nfs/dbraw/zinc/31/65/44/347316544.db2.gz XOFBTDCTNWWQOE-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN c1cn2cc(NCc3ccccc3)cnc2n1 ZINC000149657304 347409187 /nfs/dbraw/zinc/40/91/87/347409187.db2.gz MVVFLWMNUDKHOV-UHFFFAOYSA-N 0 0 224.267 2.341 10 0 BEAERN O=C(OCc1ccccc1)[C@@H]1CCC[C@H](O)C1 ZINC000118826760 347365751 /nfs/dbraw/zinc/36/57/51/347365751.db2.gz NEAMXHCILVUVBV-OLZOCXBDSA-N 0 0 234.295 2.281 10 0 BEAERN Cc1cccc2cc(C(=O)[C@@H](C)N)oc21 ZINC000082914555 179226897 /nfs/dbraw/zinc/22/68/97/179226897.db2.gz OIWOJKMNGMPTHP-MRVPVSSYSA-N 0 0 203.241 2.271 10 0 BEAERN Cc1cccc2sc([C@@H]3COCCN3)nc21 ZINC000083113502 179234655 /nfs/dbraw/zinc/23/46/55/179234655.db2.gz RYRDYRVOKVNEPW-VIFPVBQESA-N 0 0 234.324 2.266 10 0 BEAERN Cc1cccc2n[nH]c([Si](C)(C)C)c21 ZINC000211466573 179228721 /nfs/dbraw/zinc/22/87/21/179228721.db2.gz XRCWFEYFBVYDHU-UHFFFAOYSA-N 0 0 204.349 2.417 10 0 BEAERN Cc1ccccc1-c1noc(CC[C@@H](C)O)n1 ZINC000104072579 179241297 /nfs/dbraw/zinc/24/12/97/179241297.db2.gz DGICYOOIRXPLNG-SNVBAGLBSA-N 0 0 232.283 2.358 10 0 BEAERN O=C1NCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000196222865 347488995 /nfs/dbraw/zinc/48/89/95/347488995.db2.gz DJGFNQQJFQRHLJ-VIFPVBQESA-N 0 0 229.201 2.309 10 0 BEAERN O[C@H](C[C@H]1CO1)c1ccccc1Br ZINC000616569368 347694509 /nfs/dbraw/zinc/69/45/09/347694509.db2.gz IUUUNBXDMXUBKF-OIBJUYFYSA-N 0 0 243.100 2.271 10 0 BEAERN O[C@@H](C[C@H]1CO1)c1ccccc1Br ZINC000616569371 347695411 /nfs/dbraw/zinc/69/54/11/347695411.db2.gz IUUUNBXDMXUBKF-XVKPBYJWSA-N 0 0 243.100 2.271 10 0 BEAERN Cc1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243094 537992024 /nfs/dbraw/zinc/99/20/24/537992024.db2.gz KCUKTAJHCCJHHY-UHFFFAOYSA-N 0 0 203.245 2.011 10 0 BEAERN Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000075982291 179278797 /nfs/dbraw/zinc/27/87/97/179278797.db2.gz GWYMDNBTKJBFGA-CMPLNLGQSA-N 0 0 218.300 2.203 10 0 BEAERN Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000123705088 179279060 /nfs/dbraw/zinc/27/90/60/179279060.db2.gz LLFSRCFEURINEI-DGCLKSJQSA-N 0 0 233.311 2.179 10 0 BEAERN Cc1ccccc1CNC(=O)[C@@H]1CCCO[C@H]1C ZINC000190658088 179280253 /nfs/dbraw/zinc/28/02/53/179280253.db2.gz LCULYSHIMYDSOH-GXTWGEPZSA-N 0 0 247.338 2.426 10 0 BEAERN O=C(N1CCCC1)n1ncc(-c2ccccc2)n1 ZINC000199841171 347768417 /nfs/dbraw/zinc/76/84/17/347768417.db2.gz LTXNZDVTGLVMNQ-UHFFFAOYSA-N 0 0 242.282 2.009 10 0 BEAERN Cc1cc2nc(C3CC(F)(F)C3)nn2c(O)c1 ZINC000725243322 537992477 /nfs/dbraw/zinc/99/24/77/537992477.db2.gz XCIUMPISIDEPPA-UHFFFAOYSA-N 0 0 239.225 2.256 10 0 BEAERN CCCC(=O)OC[C@H](CC)OC(=O)CCC ZINC000196120889 347804752 /nfs/dbraw/zinc/80/47/52/347804752.db2.gz AVZOSLAMXFBKLO-JTQLQIEISA-N 0 0 230.304 2.452 10 0 BEAERN Cc1ccccc1Cn1ncc(Cl)c1N ZINC000043665187 179294817 /nfs/dbraw/zinc/29/48/17/179294817.db2.gz PDOWKSOODZPFOL-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CC(C)COC(=O)[C@@H](C)O[C@H]1CCCCO1 ZINC000196163476 347815180 /nfs/dbraw/zinc/81/51/80/347815180.db2.gz UQKUUAUVNOCJBX-MNOVXSKESA-N 0 0 230.304 2.117 10 0 BEAERN Cc1ccccc1C[C@@H]([NH3+])c1cncnc1 ZINC000052887382 179289707 /nfs/dbraw/zinc/28/97/07/179289707.db2.gz MTSGTQFRFAJLCZ-CYBMUJFWSA-N 0 0 213.284 2.028 10 0 BEAERN Cc1ccccc1C[C@H]1COCCC1=O ZINC000075129215 179291870 /nfs/dbraw/zinc/29/18/70/179291870.db2.gz FLQHMXQFVUIUOU-LBPRGKRZSA-N 0 0 204.269 2.143 10 0 BEAERN CCc1cc2nc(C(C)(C)C)nn2c(O)c1 ZINC000725243328 537992344 /nfs/dbraw/zinc/99/23/44/537992344.db2.gz XMEAWZCMVPLXJQ-UHFFFAOYSA-N 0 0 219.288 2.295 10 0 BEAERN CC(=O)Oc1cc2oc(=O)ccc2c(C)c1C ZINC000196085502 347791528 /nfs/dbraw/zinc/79/15/28/347791528.db2.gz NHVDNUKWBWGTLB-UHFFFAOYSA-N 0 0 232.235 2.335 10 0 BEAERN CC(C)c1cc2nc(C3CC3)nn2c(O)c1 ZINC000725243318 537992728 /nfs/dbraw/zinc/99/27/28/537992728.db2.gz WXGKMZBBQXGLQU-UHFFFAOYSA-N 0 0 217.272 2.436 10 0 BEAERN Cc1ccccc1NC(=O)c1cc(N)c[nH]1 ZINC000036861580 179303588 /nfs/dbraw/zinc/30/35/88/179303588.db2.gz HCKGDMHZYLLRCY-UHFFFAOYSA-N 0 0 215.256 2.158 10 0 BEAERN Cc1ccccc1N[C@H]1CCCCNC1=O ZINC000020056257 179307151 /nfs/dbraw/zinc/30/71/51/179307151.db2.gz BKEYBJWXZBGTOD-LBPRGKRZSA-N 0 0 218.300 2.076 10 0 BEAERN CCOC(=O)C1(C2=NC(C)(C)C[C@H](C)O2)CC1 ZINC000196311936 347868012 /nfs/dbraw/zinc/86/80/12/347868012.db2.gz SIERTOJMFJCEMB-VIFPVBQESA-N 0 0 239.315 2.316 10 0 BEAERN CCNc1ccc(-c2ncnn2CC)cc1 ZINC000669380772 537993077 /nfs/dbraw/zinc/99/30/77/537993077.db2.gz WDYMLJIORILPME-UHFFFAOYSA-N 0 0 216.288 2.397 10 0 BEAERN Nc1ccc(O)c(C(=O)Oc2ccccc2)c1 ZINC000196578762 347935816 /nfs/dbraw/zinc/93/58/16/347935816.db2.gz IJSCTKBCAWDOKS-UHFFFAOYSA-N 0 0 229.235 2.194 10 0 BEAERN CN(C)c1n[nH]c(=S)n1C1CCCC1 ZINC000036865535 347954437 /nfs/dbraw/zinc/95/44/37/347954437.db2.gz YQMSHAQECQMXRI-UHFFFAOYSA-N 0 0 212.322 2.122 10 0 BEAERN Oc1ccc(OCc2cscn2)cc1 ZINC000036896696 347968491 /nfs/dbraw/zinc/96/84/91/347968491.db2.gz WSTWHLWXJHOXSD-UHFFFAOYSA-N 0 0 207.254 2.428 10 0 BEAERN Fc1cc2c(-c3cccnn3)c[nH]c2cn1 ZINC000669381442 537995722 /nfs/dbraw/zinc/99/57/22/537995722.db2.gz JZUBCJVUHJULMK-UHFFFAOYSA-N 0 0 214.203 2.159 10 0 BEAERN Cc1ccccc1[C@@H](C)SC[C@H](O)CO ZINC000121792091 179323713 /nfs/dbraw/zinc/32/37/13/179323713.db2.gz CCOJYHCFCXXKRE-GHMZBOCLSA-N 0 0 226.341 2.142 10 0 BEAERN COC(=O)Cn1ccc2ccc(C)cc21 ZINC000036947649 347986946 /nfs/dbraw/zinc/98/69/46/347986946.db2.gz KCHQZUWQKTUTJX-UHFFFAOYSA-N 0 0 203.241 2.123 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)C1CC(=O)C1 ZINC000136116074 179335390 /nfs/dbraw/zinc/33/53/90/179335390.db2.gz FEGPMYLDYTZURU-JTQLQIEISA-N 0 0 231.295 2.151 10 0 BEAERN Cc1ccccc1[C@H](C)NC(=O)C1(O)CCC1 ZINC000184597450 179336121 /nfs/dbraw/zinc/33/61/21/179336121.db2.gz LHSZVMFARHSUMV-NSHDSACASA-N 0 0 233.311 2.087 10 0 BEAERN CCOC(=O)/C=C/c1ccccc1NC ZINC000308694530 348073715 /nfs/dbraw/zinc/07/37/15/348073715.db2.gz QABGUXHWRIJXFG-CMDGGOBGSA-N 0 0 205.257 2.305 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]1(C)Cc1cccs1 ZINC000669382443 537998035 /nfs/dbraw/zinc/99/80/35/537998035.db2.gz HMKJDEWVFUNFCB-ONGXEEELSA-N 0 0 226.297 2.011 10 0 BEAERN Cn1cc(-c2ccc3cnc(Cl)nc3n2)cn1 ZINC000223660097 348239884 /nfs/dbraw/zinc/23/98/84/348239884.db2.gz WBMKLJAEAAMFQP-UHFFFAOYSA-N 0 0 245.673 2.079 10 0 BEAERN CCSc1nc2c(c(=O)[nH]1)[C@@H](C)SC2 ZINC000223443003 348236163 /nfs/dbraw/zinc/23/61/63/348236163.db2.gz PZMPSMFQNROOBG-RXMQYKEDSA-N 0 0 228.342 2.190 10 0 BEAERN Cc1cccnc1COC(=O)[C@H]1CCCO[C@@H]1C ZINC000192107697 179385755 /nfs/dbraw/zinc/38/57/55/179385755.db2.gz PYFKSOZUXIGMCB-NEPJUHHUSA-N 0 0 249.310 2.248 10 0 BEAERN CC(C)(C)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000036755084 187392590 /nfs/dbraw/zinc/39/25/90/187392590.db2.gz YBYHRGZOBGFPDX-UHFFFAOYSA-N 0 0 229.283 2.129 10 0 BEAERN O=Cc1cc(F)ccc1N1CCSCC1 ZINC000037233782 348286203 /nfs/dbraw/zinc/28/62/03/348286203.db2.gz WHRMASITJLQBHR-UHFFFAOYSA-N 0 0 225.288 2.191 10 0 BEAERN C[C@@H]([N@@H+]1CCC[C@]1(C)C(=O)[O-])C1(C)CC1 ZINC000251507046 362883405 /nfs/dbraw/zinc/88/34/05/362883405.db2.gz IDDCFQUBSJCLIF-BXKDBHETSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccnc1N[C@@H](C)Cn1cccn1 ZINC000051041064 179394964 /nfs/dbraw/zinc/39/49/64/179394964.db2.gz FXERLQQJNNFOSW-NSHDSACASA-N 0 0 216.288 2.087 10 0 BEAERN Cc1ccn(-c2ccnc(Br)c2)n1 ZINC000044118626 179398856 /nfs/dbraw/zinc/39/88/56/179398856.db2.gz CMYRCUYVWGHKBJ-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN Cc1ccnc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000334732018 133742665 /nfs/dbraw/zinc/74/26/65/133742665.db2.gz ZCILTVMKTRSZOH-OLZOCXBDSA-N 0 0 244.338 2.395 10 0 BEAERN Cc1ccc(C(=O)Cn2cccn2)s1 ZINC000037340768 348332069 /nfs/dbraw/zinc/33/20/69/348332069.db2.gz ANRQSZFZYRTAKH-UHFFFAOYSA-N 0 0 206.270 2.136 10 0 BEAERN C[C@H](C1CC1)[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251586966 362888331 /nfs/dbraw/zinc/88/83/31/362888331.db2.gz NZLOHCRJOAQWGC-KOLCDFICSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1ccn2nc(C(F)(F)F)nc2c1 ZINC000082749215 179412901 /nfs/dbraw/zinc/41/29/01/179412901.db2.gz UMEGDPOHKUFKFF-UHFFFAOYSA-N 0 0 201.151 2.057 10 0 BEAERN O=C([O-])[C@@H](C1CCCCC1)[NH+]1CCCC1 ZINC000037360220 348376773 /nfs/dbraw/zinc/37/67/73/348376773.db2.gz XMYUQXBCWNVDTP-LLVKDONJSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@H]1SCCC[C@@]1(O)Cc1ccco1 ZINC000130486780 362921575 /nfs/dbraw/zinc/92/15/75/362921575.db2.gz OTSABABOMXVKRI-MWLCHTKSSA-N 0 0 212.314 2.469 10 0 BEAERN O=C(CC1CCCC1)N1CCC[C@@H]1CCCO ZINC000052758598 187395376 /nfs/dbraw/zinc/39/53/76/187395376.db2.gz YVNFOFCECUTLQD-CYBMUJFWSA-N 0 0 239.359 2.330 10 0 BEAERN Clc1nsnc1OC[C@H]1CCCCO1 ZINC000037371839 348355318 /nfs/dbraw/zinc/35/53/18/348355318.db2.gz AOXZPXIDNAMXNL-ZCFIWIBFSA-N 0 0 234.708 2.139 10 0 BEAERN C[C@@H](Nc1nsnc1Cl)[C@@H]1CCCO1 ZINC000037372408 348357047 /nfs/dbraw/zinc/35/70/47/348357047.db2.gz ROBDFHZDHWMVRM-RITPCOANSA-N 0 0 233.724 2.171 10 0 BEAERN CC(C)CCN(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000129736357 490166245 /nfs/dbraw/zinc/16/62/45/490166245.db2.gz ZMFAHMKEZVNUDF-MNOVXSKESA-N 0 0 213.321 2.058 10 0 BEAERN Cc1ccnc(N[C@@H](CO)c2ccccc2F)n1 ZINC000301284063 179456703 /nfs/dbraw/zinc/45/67/03/179456703.db2.gz POUCBJBWMLFQJF-LBPRGKRZSA-N 0 0 247.273 2.070 10 0 BEAERN Cc1cncc(C(=O)[C@H]2CSCCS2)c1 ZINC000227949399 348481955 /nfs/dbraw/zinc/48/19/55/348481955.db2.gz HJBBIXJTSIEMKW-SNVBAGLBSA-N 0 0 239.365 2.421 10 0 BEAERN COC(=O)[C@]1(CC(C)C)OC12CCSCC2 ZINC000669383079 538006395 /nfs/dbraw/zinc/00/63/95/538006395.db2.gz FZNKIJLWGJWLIG-LBPRGKRZSA-N 0 0 244.356 2.240 10 0 BEAERN Cc1ccncc1NC(=O)c1cc(N)ccc1F ZINC000071412406 179493354 /nfs/dbraw/zinc/49/33/54/179493354.db2.gz VAKXZTLBUPRRIE-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)/C=C/c1ccccc1 ZINC000268582905 187398741 /nfs/dbraw/zinc/39/87/41/187398741.db2.gz DZJUIUHLDVARFH-LXKVQUBZSA-N 0 0 247.338 2.223 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CC[C@H]1CCCC[C@@H]1C2 ZINC000669383138 538008577 /nfs/dbraw/zinc/00/85/77/538008577.db2.gz GJIIGZWGUORWDA-DCQANWLSSA-N 0 0 224.300 2.287 10 0 BEAERN Cc1cn(-c2ccc(F)cc2F)nc1N ZINC000054404840 179557965 /nfs/dbraw/zinc/55/79/65/179557965.db2.gz XPHOAOPEFYXKIL-UHFFFAOYSA-N 0 0 209.199 2.041 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000669383175 538008800 /nfs/dbraw/zinc/00/88/00/538008800.db2.gz NZWHDLCGDSPKJP-OEIWMXHLSA-N 0 0 230.691 2.074 10 0 BEAERN CCc1noc2nc(C(C)C)cc(NN)c12 ZINC000669383436 538008944 /nfs/dbraw/zinc/00/89/44/538008944.db2.gz HUWLGUAVLNMQAY-UHFFFAOYSA-N 0 0 220.276 2.194 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CC[C@@H]1CCCC[C@H]1C2 ZINC000669383144 538008383 /nfs/dbraw/zinc/00/83/83/538008383.db2.gz GJIIGZWGUORWDA-ZPFDUUQYSA-N 0 0 224.300 2.287 10 0 BEAERN Cc1cnc(N2C[C@@H]3CC=CC[C@H]3C2)nc1 ZINC000301835373 179622791 /nfs/dbraw/zinc/62/27/91/179622791.db2.gz LDTBYWAGXZFOOV-RYUDHWBXSA-N 0 0 215.300 2.187 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]1(C)CC1CCCC1 ZINC000669383747 538011201 /nfs/dbraw/zinc/01/12/01/538011201.db2.gz WLRWYSXLALRUFE-PWSUYJOCSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@@]1(C(=O)OC)O[C@]12CCC(C)(C)C2 ZINC000669383873 538013022 /nfs/dbraw/zinc/01/30/22/538013022.db2.gz LUGXDYXTSRCRDA-RYUDHWBXSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]1(C)CC1CCC1 ZINC000669384132 538013135 /nfs/dbraw/zinc/01/31/35/538013135.db2.gz OFEKBABIKSHDAI-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@@H](c1ccncc1)[C@H](O)C(C)(F)F ZINC000300849411 362929937 /nfs/dbraw/zinc/92/99/37/362929937.db2.gz GXILNUYUHZVQRT-CBAPKCEASA-N 0 0 201.216 2.201 10 0 BEAERN CCC[C@@H](C)n1cc(N)cc1C(=O)OC ZINC000725247387 538012347 /nfs/dbraw/zinc/01/23/47/538012347.db2.gz QLTPRAVBGOINMB-MRVPVSSYSA-N 0 0 210.277 2.218 10 0 BEAERN CCc1noc2nc(C(F)(F)F)cc(N)c12 ZINC000669384070 538012588 /nfs/dbraw/zinc/01/25/88/538012588.db2.gz NDORMDUGLNVZQB-UHFFFAOYSA-N 0 0 231.177 2.386 10 0 BEAERN CC(C)c1nc(Br)ns1 ZINC000214776013 350000822 /nfs/dbraw/zinc/00/08/22/350000822.db2.gz WWCUFDRXCACWLU-UHFFFAOYSA-N 0 0 207.096 2.424 10 0 BEAERN COC(=O)[C@H]1O[C@]12CCC21CCCCC1 ZINC000669384443 538015138 /nfs/dbraw/zinc/01/51/38/538015138.db2.gz WALRWHBWTGMGKK-BXKDBHETSA-N 0 0 210.273 2.041 10 0 BEAERN COc1ncc([N+](=O)[O-])c(C)c1Br ZINC000113143335 348932488 /nfs/dbraw/zinc/93/24/88/348932488.db2.gz FWOJMZCYPGNGGZ-UHFFFAOYSA-N 0 0 247.048 2.069 10 0 BEAERN CCC(=O)[C@H](CC(=O)CC(C)(C)C)C(=O)OC ZINC000725248367 538017016 /nfs/dbraw/zinc/01/70/16/538017016.db2.gz SFEPQVROPDVQRH-JTQLQIEISA-N 0 0 242.315 2.150 10 0 BEAERN C[C@H](NC(N)=O)c1ccccc1Br ZINC000078268976 490207917 /nfs/dbraw/zinc/20/79/17/490207917.db2.gz OSVWMFKBQHHITH-LURJTMIESA-N 0 0 243.104 2.178 10 0 BEAERN CC[C@@H](C)C(=O)C[C@@H](C(=O)OC)C(=O)C(C)C ZINC000725248497 538016810 /nfs/dbraw/zinc/01/68/10/538016810.db2.gz WKRKGBLPRGJBRU-NXEZZACHSA-N 0 0 242.315 2.006 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000308868327 348980392 /nfs/dbraw/zinc/98/03/92/348980392.db2.gz HMVITCJPFSXXOD-ZJUUUORDSA-N 0 0 226.707 2.450 10 0 BEAERN CCO[C@]1(C(N)=S)CCC[C@@H](C)C1 ZINC000159159600 348981494 /nfs/dbraw/zinc/98/14/94/348981494.db2.gz MOXPIIIYKCIRMO-PSASIEDQSA-N 0 0 201.335 2.258 10 0 BEAERN C[C@@H]1CCC[C@@H](n2cc(N)ccc2=O)C1 ZINC000725249200 538019528 /nfs/dbraw/zinc/01/95/28/538019528.db2.gz ZDHCCBKQROTCQO-MWLCHTKSSA-N 0 0 206.289 2.182 10 0 BEAERN C[C@H]1CCCC[C@H]1n1cc(N)ccc1=O ZINC000725249253 538019760 /nfs/dbraw/zinc/01/97/60/538019760.db2.gz OCTALNHGXQOXRG-GXSJLCMTSA-N 0 0 206.289 2.182 10 0 BEAERN CC(=O)CC(=O)Nc1ccccc1OC(F)F ZINC000019411170 187417676 /nfs/dbraw/zinc/41/76/76/187417676.db2.gz YAVPQFGLYBHKQG-UHFFFAOYSA-N 0 0 243.209 2.206 10 0 BEAERN CC[C@@H](O)OC[C@H](C)Oc1ccccc1 ZINC000198861430 349007003 /nfs/dbraw/zinc/00/70/03/349007003.db2.gz FWRGCSBAKVECHW-JQWIXIFHSA-N 0 0 210.273 2.199 10 0 BEAERN Nc1ccc(SC[C@H]2CCOCO2)c(F)c1 ZINC000037194038 187423477 /nfs/dbraw/zinc/42/34/77/187423477.db2.gz LSGJPNACLCJKBY-SECBINFHSA-N 0 0 243.303 2.263 10 0 BEAERN CC(=O)Nc1c(O)ccc(C(C)(C)C)c1O ZINC000039098669 187426268 /nfs/dbraw/zinc/42/62/68/187426268.db2.gz KLMHLENUULHYCR-UHFFFAOYSA-N 0 0 223.272 2.354 10 0 BEAERN CCOc1ccc(OC(F)(F)F)c(CO)c1 ZINC000616575371 349085487 /nfs/dbraw/zinc/08/54/87/349085487.db2.gz CNWWWWYDNRAMEE-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN Cc1ccc(N)c(C)c1CNC(=O)CC1CC1 ZINC000616571797 349061351 /nfs/dbraw/zinc/06/13/51/349061351.db2.gz IFIRZMHJUKSUOO-UHFFFAOYSA-N 0 0 232.327 2.302 10 0 BEAERN CCOC(=O)Cc1ccc2c(c1)NCCC2 ZINC000616577796 349119279 /nfs/dbraw/zinc/11/92/79/349119279.db2.gz MERGMJSJYDAHEL-UHFFFAOYSA-N 0 0 219.284 2.150 10 0 BEAERN CCOc1cccc(OC(F)(F)F)c1CO ZINC000616577187 349119970 /nfs/dbraw/zinc/11/99/70/349119970.db2.gz WWGIDNWPSJNEBL-UHFFFAOYSA-N 0 0 236.189 2.476 10 0 BEAERN O=Cc1cc(C=O)cc(OC(F)(F)F)c1 ZINC000616578889 349127416 /nfs/dbraw/zinc/12/74/16/349127416.db2.gz DUHOETCUPWALLV-UHFFFAOYSA-N 0 0 218.130 2.210 10 0 BEAERN CCc1c(OC(F)(F)F)cccc1C(N)=O ZINC000616579090 349129876 /nfs/dbraw/zinc/12/98/76/349129876.db2.gz GWACOXCIOWRPCF-UHFFFAOYSA-N 0 0 233.189 2.247 10 0 BEAERN C[C@]1(C(=O)[O-])CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250792591 349179319 /nfs/dbraw/zinc/17/93/19/349179319.db2.gz KCGNKDITBJVVOQ-DOMZBBRYSA-N 0 0 245.322 2.123 10 0 BEAERN CC1(C)CCC(Cn2ncc(N)n2)CC1 ZINC000725251137 538029705 /nfs/dbraw/zinc/02/97/05/538029705.db2.gz XIHAGUSGKLGCRY-UHFFFAOYSA-N 0 0 208.309 2.077 10 0 BEAERN COc1cc2c(cc1OC)C[C@@H](C)C(=O)C2 ZINC000199396761 349213826 /nfs/dbraw/zinc/21/38/26/349213826.db2.gz FJXZSMLFKLYAIV-MRVPVSSYSA-N 0 0 220.268 2.008 10 0 BEAERN CC(C)c1cc(N[C@@H]2CCC[C@H](O)C2)ncn1 ZINC000599516804 349205256 /nfs/dbraw/zinc/20/52/56/349205256.db2.gz VWGOQUWRYWTSQG-MNOVXSKESA-N 0 0 235.331 2.315 10 0 BEAERN Cc1n[nH]c(C)c1NCc1ccc2c(c1)OCO2 ZINC000036734328 179829229 /nfs/dbraw/zinc/82/92/29/179829229.db2.gz DYTOYFMJSLWFTG-UHFFFAOYSA-N 0 0 245.282 2.367 10 0 BEAERN CCN(CC)c1nc2ccc(OC)cc2c(=O)[nH]1 ZINC000253613348 349258144 /nfs/dbraw/zinc/25/81/44/349258144.db2.gz ZAZBXRJGVFRWHX-UHFFFAOYSA-N 0 0 247.298 2.190 10 0 BEAERN CC(=O)N1C[C@@H](c2ncco2)Nc2ccccc21 ZINC000616584110 349329744 /nfs/dbraw/zinc/32/97/44/349329744.db2.gz NTXGWHISOJHDFY-NSHDSACASA-N 0 0 243.266 2.194 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cccnn1 ZINC000616583321 349307720 /nfs/dbraw/zinc/30/77/20/349307720.db2.gz DZPHVRGFOWLMLD-ZDUSSCGKSA-N 0 0 226.283 2.080 10 0 BEAERN COc1ccc([C@](C)(O)c2cncc(F)c2)cc1 ZINC000049576974 187435326 /nfs/dbraw/zinc/43/53/26/187435326.db2.gz QKAYHDVXBXQLIW-AWEZNQCLSA-N 0 0 247.269 2.485 10 0 BEAERN Cc1nc(-c2cccnc2)[nH]c(=S)c1C ZINC000045956227 179869179 /nfs/dbraw/zinc/86/91/79/179869179.db2.gz HBVVZJJKOMEEHL-UHFFFAOYSA-N 0 0 217.297 2.444 10 0 BEAERN C[C@H]1C[C@H]1Nc1ncc(Br)cc1N ZINC000052274548 187436295 /nfs/dbraw/zinc/43/62/95/187436295.db2.gz DAIQWRLYOHCXFD-YLWLKBPMSA-N 0 0 242.120 2.247 10 0 BEAERN CC(C)(C)[C@H]1CNc2ccccc2N1CCO ZINC000616585482 349366779 /nfs/dbraw/zinc/36/67/79/349366779.db2.gz RGMHAOBFAJWLBG-CYBMUJFWSA-N 0 0 234.343 2.326 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1c1ncco1 ZINC000616585576 349370448 /nfs/dbraw/zinc/37/04/48/349370448.db2.gz SBBARPXVQDDERI-LBPRGKRZSA-N 0 0 243.266 2.194 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@@H]1c1cnco1 ZINC000616585260 349370779 /nfs/dbraw/zinc/37/07/79/349370779.db2.gz KMLBXHLWDBNIMK-GFCCVEGCSA-N 0 0 243.266 2.194 10 0 BEAERN Cc1nc(C)c(F)c(N2CC[C@H](C)C2)n1 ZINC000336383036 179916625 /nfs/dbraw/zinc/91/66/25/179916625.db2.gz UYZDKEQXSCYNMR-ZETCQYMHSA-N 0 0 209.268 2.079 10 0 BEAERN Cc1ccc(CN(C)C(=O)N[C@H]2C[C@H]2C)o1 ZINC000194201126 490273866 /nfs/dbraw/zinc/27/38/66/490273866.db2.gz JUTBAQMMBSTCCC-KCJUWKMLSA-N 0 0 222.288 2.138 10 0 BEAERN CN1CC[C@H](c2cncnc2)c2ccccc21 ZINC000616591178 350082007 /nfs/dbraw/zinc/08/20/07/350082007.db2.gz ZIKXGJXVVAKMSE-GFCCVEGCSA-N 0 0 225.295 2.448 10 0 BEAERN O=C1CCCc2nc([C@H]3CCOC3)sc21 ZINC000051691365 350049469 /nfs/dbraw/zinc/04/94/69/350049469.db2.gz ZZLWSHKLGGYIOM-ZETCQYMHSA-N 0 0 223.297 2.166 10 0 BEAERN Cc1nc([C@@H]2CCOC2)nc(Cl)c1C ZINC000051691308 350049901 /nfs/dbraw/zinc/04/99/01/350049901.db2.gz FZGJPWQQVIILSL-MRVPVSSYSA-N 0 0 212.680 2.251 10 0 BEAERN CCOC(=O)Nc1nnc(Cl)cc1C ZINC000217568185 350063051 /nfs/dbraw/zinc/06/30/51/350063051.db2.gz DKAWAWSNGMABEY-UHFFFAOYSA-N 0 0 215.640 2.007 10 0 BEAERN Cc1nc(I)sc1C ZINC000075843610 179994691 /nfs/dbraw/zinc/99/46/91/179994691.db2.gz CJROBJQQMDDHLX-UHFFFAOYSA-N 0 0 239.081 2.365 10 0 BEAERN Cc1nc(N)sc1S[C@H]1CCCC[C@H]1O ZINC000037691853 180000524 /nfs/dbraw/zinc/00/05/24/180000524.db2.gz NOUCJZOFHAXGLB-SFYZADRCSA-N 0 0 244.385 2.429 10 0 BEAERN Cc1nc(N)sc1SC[C@H]1CCCO1 ZINC000019486324 180000885 /nfs/dbraw/zinc/00/08/85/180000885.db2.gz VMGRABHFNPUQTA-SSDOTTSWSA-N 0 0 230.358 2.305 10 0 BEAERN CC[C@H](C)N(C)C(=O)NCc1cscn1 ZINC000051751403 350091783 /nfs/dbraw/zinc/09/17/83/350091783.db2.gz CAYRECWDMGLJHI-QMMMGPOBSA-N 0 0 227.333 2.083 10 0 BEAERN CCn1c(C)nnc1CN(C)c1ccccc1 ZINC000195008089 350112782 /nfs/dbraw/zinc/11/27/82/350112782.db2.gz YRENFPGFPFERIX-UHFFFAOYSA-N 0 0 230.315 2.243 10 0 BEAERN Cc1[nH]c([C@@H](C)[NH3+])nc1-c1cccs1 ZINC000041062173 180032895 /nfs/dbraw/zinc/03/28/95/180032895.db2.gz COFCCOYXJAGRRR-ZCFIWIBFSA-N 0 0 207.302 2.466 10 0 BEAERN Cc1nc([C@@H](N)c2ccccc2Cl)no1 ZINC000036762507 180039807 /nfs/dbraw/zinc/03/98/07/180039807.db2.gz IASYEQKQJYJFCR-VIFPVBQESA-N 0 0 223.663 2.080 10 0 BEAERN Cc1ccccc1CCC(=O)N[C@H]1C[C@@H]1C ZINC000103435268 323248686 /nfs/dbraw/zinc/24/86/86/323248686.db2.gz SXDURMVMXAHABJ-AAEUAGOBSA-N 0 0 217.312 2.452 10 0 BEAERN Cc1cc([C@@H](N)c2noc(C)n2)c(C)s1 ZINC000049687979 180053241 /nfs/dbraw/zinc/05/32/41/180053241.db2.gz XZKLMHCLOAJTBW-SECBINFHSA-N 0 0 223.301 2.104 10 0 BEAERN Cc1nc([C@H](C)Nc2cn[nH]c2)cs1 ZINC000036915616 180053378 /nfs/dbraw/zinc/05/33/78/180053378.db2.gz RHUOYOIZCPPZRP-LURJTMIESA-N 0 0 208.290 2.348 10 0 BEAERN Cc1nc2c(ncnc2Cl)n1C1CC1 ZINC000045955366 180064379 /nfs/dbraw/zinc/06/43/79/180064379.db2.gz QFYPNQKNSBHOOB-UHFFFAOYSA-N 0 0 208.652 2.123 10 0 BEAERN Cc1nc2c([O-])c(Cl)cc(O)c2nc1C ZINC000105483809 180065512 /nfs/dbraw/zinc/06/55/12/180065512.db2.gz CUCQAVFSHRRKPT-UHFFFAOYSA-N 0 0 224.647 2.311 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000251689971 538051042 /nfs/dbraw/zinc/05/10/42/538051042.db2.gz HDTNXHNMXBIMSI-LSKIRQOJSA-N 0 0 212.289 2.143 10 0 BEAERN Cc1cn(C)c2nc(C)c(Br)nc12 ZINC000096988599 180072207 /nfs/dbraw/zinc/07/22/07/180072207.db2.gz PLUITWYEVKYOSX-UHFFFAOYSA-N 0 0 240.104 2.348 10 0 BEAERN Cc1nc2cc(C(F)(F)F)ccc2n1CCO ZINC000040400862 180078066 /nfs/dbraw/zinc/07/80/66/180078066.db2.gz CUFASDIWBUULIN-UHFFFAOYSA-N 0 0 244.216 2.356 10 0 BEAERN O=C1CC(COc2ccc(Cl)cn2)C1 ZINC000409430581 350134712 /nfs/dbraw/zinc/13/47/12/350134712.db2.gz HCXXLUFEXFTQQV-UHFFFAOYSA-N 0 0 211.648 2.093 10 0 BEAERN Cc1nc2ccc(Br)nn2c1Cl ZINC000299890232 180089218 /nfs/dbraw/zinc/08/92/18/180089218.db2.gz WGVUCQHNFYCBLF-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN Cc1nc2ccc(Cl)cc2n1C[C@@H](C)O ZINC000005116460 180091667 /nfs/dbraw/zinc/09/16/67/180091667.db2.gz BRCANRFFTFNXPU-SSDOTTSWSA-N 0 0 224.691 2.379 10 0 BEAERN Cc1nc2ccc(N(O)C=N)cc2s1 ZINC000045236136 180093409 /nfs/dbraw/zinc/09/34/09/180093409.db2.gz QKMDFLJYOXCBGY-UHFFFAOYSA-N 0 0 207.258 2.407 10 0 BEAERN Cc1nc2ccc(OC[C@H]3CO3)cc2s1 ZINC000045235978 180097107 /nfs/dbraw/zinc/09/71/07/180097107.db2.gz ZOPKMQMRUQGNPN-VIFPVBQESA-N 0 0 221.281 2.382 10 0 BEAERN Cc1nc2ccccc2nc1-n1ccnc1 ZINC000070163327 180104326 /nfs/dbraw/zinc/10/43/26/180104326.db2.gz BWYSSCLYVBJEPA-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN O=c1nc2ccc(F)cc2c(C(F)(F)F)[nH]1 ZINC000039150645 350174141 /nfs/dbraw/zinc/17/41/41/350174141.db2.gz VMSSFBRZNHOVRS-UHFFFAOYSA-N 0 0 232.136 2.493 10 0 BEAERN CCCCC(=O)NC1(C(N)=S)CCCCC1 ZINC000040354858 168617235 /nfs/dbraw/zinc/61/72/35/168617235.db2.gz TYSIICBNVAHCAG-UHFFFAOYSA-N 0 0 242.388 2.282 10 0 BEAERN Cc1ncc(C(=O)N[C@H](C)CC2CC2)c(C)n1 ZINC000180761602 180133616 /nfs/dbraw/zinc/13/36/16/180133616.db2.gz QZANDOOTWQGYPW-MRVPVSSYSA-N 0 0 233.315 2.012 10 0 BEAERN Cc1ncc(CN(C)C(=O)OC(C)C)s1 ZINC000296728619 180137993 /nfs/dbraw/zinc/13/79/93/180137993.db2.gz NSUGZPZGAIPEBX-UHFFFAOYSA-N 0 0 228.317 2.428 10 0 BEAERN Cc1nc2sc3c(n2c1N)CCCC3 ZINC000036290555 180116820 /nfs/dbraw/zinc/11/68/20/180116820.db2.gz QCGGPTJVQQKYKD-UHFFFAOYSA-N 0 0 207.302 2.165 10 0 BEAERN Cc1ncc(-c2cc(=O)[nH]c(C3CC3)n2)s1 ZINC000044119400 180121765 /nfs/dbraw/zinc/12/17/65/180121765.db2.gz WDSWHAPUIOLUJX-UHFFFAOYSA-N 0 0 233.296 2.079 10 0 BEAERN Cc1ncc(-c2ccccc2F)c(N)n1 ZINC000026465864 180122468 /nfs/dbraw/zinc/12/24/68/180122468.db2.gz LIAFQWDIDFOJGU-UHFFFAOYSA-N 0 0 203.220 2.173 10 0 BEAERN N#C[C@@](N)(CF)CCCOCc1ccccc1 ZINC000034362816 350169125 /nfs/dbraw/zinc/16/91/25/350169125.db2.gz ILZZWRJCTYOMCH-ZDUSSCGKSA-N 0 0 236.290 2.174 10 0 BEAERN Cc1ncc(CNCc2nc(C)c(C)o2)s1 ZINC000040997952 180154415 /nfs/dbraw/zinc/15/44/15/180154415.db2.gz PVHLRZRGPJWOPM-UHFFFAOYSA-N 0 0 237.328 2.346 10 0 BEAERN Cc1ncc(N)cc1C(=O)OC1CCCCC1 ZINC000048671315 180164668 /nfs/dbraw/zinc/16/46/68/180164668.db2.gz ZDVXOHHVTGZSNY-UHFFFAOYSA-N 0 0 234.299 2.462 10 0 BEAERN CC[NH+]=C1N[C@H](c2ccccc2)CS1 ZINC000063001135 350200308 /nfs/dbraw/zinc/20/03/08/350200308.db2.gz JVYFJVOQSPQWIB-JTQLQIEISA-N 0 0 206.314 2.440 10 0 BEAERN Cc1nccc(CN[C@@H](C)c2ccco2)n1 ZINC000038037406 180191668 /nfs/dbraw/zinc/19/16/68/180191668.db2.gz BTIKSRAAVJXPJZ-VIFPVBQESA-N 0 0 217.272 2.229 10 0 BEAERN Cc1nc(NC(=O)C(C)C)c(C)c(C)c1O ZINC000221279273 350203978 /nfs/dbraw/zinc/20/39/78/350203978.db2.gz ZBDOHBRNKYVQRD-UHFFFAOYSA-N 0 0 222.288 2.307 10 0 BEAERN CCC[C@H](O)Cc1nc(CC2CCC2)no1 ZINC000304626727 490379359 /nfs/dbraw/zinc/37/93/59/490379359.db2.gz PZBRZVVRZWAKMD-JTQLQIEISA-N 0 0 224.304 2.116 10 0 BEAERN Cc1nccc(-c2ccc(N(C)C)c(N)c2)n1 ZINC000253578402 180179488 /nfs/dbraw/zinc/17/94/88/180179488.db2.gz YHBOMBOKHAURIU-UHFFFAOYSA-N 0 0 228.299 2.100 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000075982635 350250899 /nfs/dbraw/zinc/25/08/99/350250899.db2.gz LSTBAEGAWHXSOJ-JOYOIKCWSA-N 0 0 236.290 2.376 10 0 BEAERN Cc1nccn1Cc1noc(C2CCCC2)n1 ZINC000064551262 180272582 /nfs/dbraw/zinc/27/25/82/180272582.db2.gz ONJQZDDKXILEOS-UHFFFAOYSA-N 0 0 232.287 2.280 10 0 BEAERN C[C@H]1CC(C(C)(C)S(N)(=O)=O)C[C@H](C)C1 ZINC000725261442 538087095 /nfs/dbraw/zinc/08/70/95/538087095.db2.gz NRAMMEBMWLITOW-RKDXNWHRSA-N 0 0 233.377 2.126 10 0 BEAERN C[C@@H]1CC[C@H](C(C)(C)S(N)(=O)=O)C[C@H]1C ZINC000725261541 538087380 /nfs/dbraw/zinc/08/73/80/538087380.db2.gz ZOFGRCQFNKJNHD-BBBLOLIVSA-N 0 0 233.377 2.126 10 0 BEAERN CN(CC(F)(F)F)c1ccccc1N ZINC000037663990 350285995 /nfs/dbraw/zinc/28/59/95/350285995.db2.gz JAUUEBVRPSWOLH-UHFFFAOYSA-N 0 0 204.195 2.267 10 0 BEAERN CO[C@@H]1CCCc2c(CO)cc(Cl)nc21 ZINC000725260331 538082363 /nfs/dbraw/zinc/08/23/63/538082363.db2.gz PVWFWJYIXBJLAQ-SECBINFHSA-N 0 0 227.691 2.251 10 0 BEAERN Cc1nccn1[C@@H](C)c1cccc(N)c1 ZINC000040908282 180270701 /nfs/dbraw/zinc/27/07/01/180270701.db2.gz PQRMKSSJXZMAEM-VIFPVBQESA-N 0 0 201.273 2.383 10 0 BEAERN C[C@@H](CO)[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000617857774 350278895 /nfs/dbraw/zinc/27/88/95/350278895.db2.gz PCFPBMXPNXGNAU-PYNQCMFNSA-N 0 0 239.359 2.042 10 0 BEAERN Cn1ccnc1Sc1cccc(N)c1 ZINC000037668106 350286345 /nfs/dbraw/zinc/28/63/45/350286345.db2.gz JCWVJRSWYYAECY-UHFFFAOYSA-N 0 0 205.286 2.154 10 0 BEAERN OCc1ccccc1-n1cc(Cl)cn1 ZINC000038053690 350300341 /nfs/dbraw/zinc/30/03/41/350300341.db2.gz ZWTXGOISZBZTBR-UHFFFAOYSA-N 0 0 208.648 2.018 10 0 BEAERN Brc1cnn(Cc2ccco2)c1 ZINC000038074838 350305181 /nfs/dbraw/zinc/30/51/81/350305181.db2.gz LQRHCBUANFPKPI-UHFFFAOYSA-N 0 0 227.061 2.287 10 0 BEAERN CCNC(=O)NC[C@@H]1CCCc2ccccc2N1 ZINC000725262532 538088703 /nfs/dbraw/zinc/08/87/03/538088703.db2.gz DWDUVKBIZDVSMO-LBPRGKRZSA-N 0 0 247.342 2.123 10 0 BEAERN Cc1nccnc1NCC1C[C@@H](C)O[C@H](C)C1 ZINC000290949733 180277136 /nfs/dbraw/zinc/27/71/36/180277136.db2.gz MQKXVPBTKSCUPN-NXEZZACHSA-N 0 0 235.331 2.401 10 0 BEAERN COC(=N)c1cc2c(c(Cl)c1)OCO2 ZINC000037928104 350291645 /nfs/dbraw/zinc/29/16/45/350291645.db2.gz CBJOOGJGUZDICE-UHFFFAOYSA-N 0 0 213.620 2.040 10 0 BEAERN Cc1ncn(-c2ccc(F)cc2C(N)=S)c1C ZINC000104246275 180286023 /nfs/dbraw/zinc/28/60/23/180286023.db2.gz FYIAVPALIGYYHM-UHFFFAOYSA-N 0 0 249.314 2.262 10 0 BEAERN C[C@@](O)(c1ccco1)C(F)(F)Br ZINC000225679610 350369956 /nfs/dbraw/zinc/36/99/56/350369956.db2.gz IGAFTNFBAOIHFC-ZCFIWIBFSA-N 0 0 241.031 2.475 10 0 BEAERN Cc1nn(-c2cccc(F)c2)c(C)c1C=O ZINC000032013242 180328795 /nfs/dbraw/zinc/32/87/95/180328795.db2.gz YTXDWSBTEUPRHG-UHFFFAOYSA-N 0 0 218.231 2.441 10 0 BEAERN Cc1nn(-c2ccc(F)cc2)c(C)c1N ZINC000002656379 180328812 /nfs/dbraw/zinc/32/88/12/180328812.db2.gz FZSZHNJEJCFJJZ-UHFFFAOYSA-N 0 0 205.236 2.210 10 0 BEAERN CCc1cc(N[C@@H](C)[C@@H]2CCCO2)ncn1 ZINC000040765113 350394547 /nfs/dbraw/zinc/39/45/47/350394547.db2.gz VJLWXXVVJOQHQW-ONGXEEELSA-N 0 0 221.304 2.018 10 0 BEAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1CC1 ZINC000105846454 180346846 /nfs/dbraw/zinc/34/68/46/180346846.db2.gz OVOHZAOYZVBMKB-LBPRGKRZSA-N 0 0 247.342 2.110 10 0 BEAERN Cc1nn(C)c(N[C@@H](C)c2ccco2)c1N ZINC000036749421 180360305 /nfs/dbraw/zinc/36/03/05/180360305.db2.gz UUOMRGJSYZEJPM-ZETCQYMHSA-N 0 0 220.276 2.077 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H](C)CC(C)C)c1C=O ZINC000042585075 180353185 /nfs/dbraw/zinc/35/31/85/180353185.db2.gz SVFSTPCEGPLORB-JTQLQIEISA-N 0 0 237.347 2.412 10 0 BEAERN Cc1nn(C)c(N(C)[C@H](C)CC(C)C)c1C=O ZINC000042585078 180353843 /nfs/dbraw/zinc/35/38/43/180353843.db2.gz SVFSTPCEGPLORB-SNVBAGLBSA-N 0 0 237.347 2.412 10 0 BEAERN CC(=O)Nc1ccccc1[C@H](C)C(C)=O ZINC000032142617 350411753 /nfs/dbraw/zinc/41/17/53/350411753.db2.gz YXUUYAFPUMQYNS-MRVPVSSYSA-N 0 0 205.257 2.338 10 0 BEAERN Cc1nn(C)c(NCCc2cccc(F)c2)c1N ZINC000036779512 180358666 /nfs/dbraw/zinc/35/86/66/180358666.db2.gz DQEAXRDKEVOAGX-UHFFFAOYSA-N 0 0 248.305 2.104 10 0 BEAERN Cc1nn(C)c(O[C@@H](C)c2ccccc2)c1N ZINC000036749548 180359698 /nfs/dbraw/zinc/35/96/98/180359698.db2.gz YLNZPVOMLQKRFR-JTQLQIEISA-N 0 0 231.299 2.451 10 0 BEAERN Cc1nn(C)c(N[C@H](C)c2ccccc2)c1N ZINC000036749031 180360625 /nfs/dbraw/zinc/36/06/25/180360625.db2.gz IJOUQDDAAFVACV-SECBINFHSA-N 0 0 230.315 2.484 10 0 BEAERN Cc1nn(C)c(Sc2ccccc2)c1N ZINC000036749613 180361304 /nfs/dbraw/zinc/36/13/04/180361304.db2.gz CPGVLDDZCKIKQE-UHFFFAOYSA-N 0 0 219.313 2.462 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(C)(F)F)C1 ZINC000409433400 350477531 /nfs/dbraw/zinc/47/75/31/350477531.db2.gz YEEPSCZVBTUDQZ-IUCAKERBSA-N 0 0 235.274 2.217 10 0 BEAERN O=C(NCCC1CC(=O)C1)OCc1ccccc1 ZINC000409434343 350477651 /nfs/dbraw/zinc/47/76/51/350477651.db2.gz XCPOUYVTBGDXLZ-UHFFFAOYSA-N 0 0 247.294 2.282 10 0 BEAERN CC(C)(C)c1cc(=S)[nH]c(=O)n1CC1CC1 ZINC000409437380 350481276 /nfs/dbraw/zinc/48/12/76/350481276.db2.gz FWVRGQVCFVGEDT-UHFFFAOYSA-N 0 0 238.356 2.240 10 0 BEAERN CC(=O)c1ccc(-c2n[nH]c3c2COCC3)cc1 ZINC000725265730 538094435 /nfs/dbraw/zinc/09/44/35/538094435.db2.gz XWVDQHHBRQTLOZ-UHFFFAOYSA-N 0 0 242.278 2.352 10 0 BEAERN Cc1nnc(-c2ccsc2N)n1C(C)C ZINC000104482050 180396090 /nfs/dbraw/zinc/39/60/90/180396090.db2.gz QURPWFITDCBSBU-UHFFFAOYSA-N 0 0 222.317 2.478 10 0 BEAERN Cc1nnc(-c2ccc(N)s2)n1C(C)C ZINC000104482338 180396468 /nfs/dbraw/zinc/39/64/68/180396468.db2.gz VPJKBTXQUMAWIH-UHFFFAOYSA-N 0 0 222.317 2.478 10 0 BEAERN COc1cc(C=O)cc(OC(F)(F)F)c1 ZINC000060202784 350497142 /nfs/dbraw/zinc/49/71/42/350497142.db2.gz LSGSLCKXXITHHP-UHFFFAOYSA-N 0 0 220.146 2.406 10 0 BEAERN CC(C)(C)CN1C(=S)N=NC1c1ccncn1 ZINC000725265871 538094384 /nfs/dbraw/zinc/09/43/84/538094384.db2.gz QIXCVENVUMLMFW-UHFFFAOYSA-N 0 0 249.343 2.070 10 0 BEAERN COC(=O)[C@H](CC(C)(C)C)NCC(C)C ZINC000061840416 350529849 /nfs/dbraw/zinc/52/98/49/350529849.db2.gz VLGPZXZRXABTQC-JTQLQIEISA-N 0 0 215.337 2.210 10 0 BEAERN S=C1N=NC([C@@H]2CCSC2)N1C1CC1 ZINC000228207078 350533560 /nfs/dbraw/zinc/53/35/60/350533560.db2.gz YPZWEZSPAQYWOG-ZCFIWIBFSA-N 0 0 227.358 2.122 10 0 BEAERN Cc1cncc(C(=O)[C@H]2CCCS2)c1 ZINC000227949618 350521107 /nfs/dbraw/zinc/52/11/07/350521107.db2.gz WSEGEEWETPUCOZ-SNVBAGLBSA-N 0 0 207.298 2.468 10 0 BEAERN CCc1ccc(CC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000163439135 350521832 /nfs/dbraw/zinc/52/18/32/350521832.db2.gz REMOODWFWZXLOX-MFKMUULPSA-N 0 0 217.312 2.316 10 0 BEAERN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000035018977 323395412 /nfs/dbraw/zinc/39/54/12/323395412.db2.gz CRTXAEMASVASRI-GHMZBOCLSA-N 0 0 238.331 2.153 10 0 BEAERN CCSCC(=O)c1cc(F)ccc1O ZINC000037353133 362968595 /nfs/dbraw/zinc/96/85/95/362968595.db2.gz NTVIUDIPMMHTFZ-UHFFFAOYSA-N 0 0 214.261 2.467 10 0 BEAERN Cc1nnc(N2CCS[C@@H](C)C2)n1C(C)C ZINC000334522447 180426246 /nfs/dbraw/zinc/42/62/46/180426246.db2.gz SURYRWVMFFJHKX-VIFPVBQESA-N 0 0 240.376 2.109 10 0 BEAERN CC[N@@H+]1CCO[C@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616594097 350593031 /nfs/dbraw/zinc/59/30/31/350593031.db2.gz NILRUVAKKBXJKF-ZDUSSCGKSA-N 0 0 249.310 2.168 10 0 BEAERN CNc1cc(Br)ncc1OC1CC1 ZINC000095730340 187455558 /nfs/dbraw/zinc/45/55/58/187455558.db2.gz VNLSXHONFUZYJM-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN CC(=O)N1CCO[C@H](c2ccc(F)cc2)CC1 ZINC000616595745 350610616 /nfs/dbraw/zinc/61/06/16/350610616.db2.gz VLBCYPBRIZWUSZ-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN CC1(C)CCC(C(=O)C(F)(F)F)=C1O ZINC000125055394 538097610 /nfs/dbraw/zinc/09/76/10/538097610.db2.gz SODSHKKWTDYZSA-YFKPBYRVSA-N 0 0 208.179 2.123 10 0 BEAERN C1CCC(ONC2CCC3(CC2)OCCO3)C1 ZINC000136932815 350636285 /nfs/dbraw/zinc/63/62/85/350636285.db2.gz JERCOKWPXXKFFQ-UHFFFAOYSA-N 0 0 241.331 2.136 10 0 BEAERN CC(C)(C)N1CCCOC[C@H]1C(F)F ZINC000616597387 350652238 /nfs/dbraw/zinc/65/22/38/350652238.db2.gz PWLHTBVXYWYIBS-QMMMGPOBSA-N 0 0 207.264 2.141 10 0 BEAERN CC1(C)CC[C@H](c2nn[nH]n2)c2ccccc21 ZINC000095231380 350656608 /nfs/dbraw/zinc/65/66/08/350656608.db2.gz CIOVHYYMDHXXBB-JTQLQIEISA-N 0 0 228.299 2.403 10 0 BEAERN Cc1noc(C)c1NC(=O)N1CCC12CCC2 ZINC000333608237 180477892 /nfs/dbraw/zinc/47/78/92/180477892.db2.gz ZRHIORCOIFYKMM-UHFFFAOYSA-N 0 0 235.287 2.452 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)n2ccnc2)C[C@H]1C ZINC000251878730 362973825 /nfs/dbraw/zinc/97/38/25/362973825.db2.gz RBAWQIGIHMBOHC-MXWKQRLJSA-N 0 0 221.304 2.266 10 0 BEAERN CCc1ccc2c(c1)C[C@@H](O)[C@H](C(C)(C)OC)N2 ZINC000725267835 538098989 /nfs/dbraw/zinc/09/89/89/538098989.db2.gz AGHYLRHKJNBUSV-ZIAGYGMSSA-N 0 0 249.354 2.372 10 0 BEAERN CCCc1ccc(-c2cc(=O)[nH]cn2)cc1 ZINC000233388433 350676101 /nfs/dbraw/zinc/67/61/01/350676101.db2.gz JVCYNRRRGKGYLM-UHFFFAOYSA-N 0 0 214.268 2.389 10 0 BEAERN CCC[C@@H](N[C@H](C)C(C)C)C(=O)OCC ZINC000096593309 350678835 /nfs/dbraw/zinc/67/88/35/350678835.db2.gz RHQVJASGVIDHAI-GHMZBOCLSA-N 0 0 215.337 2.352 10 0 BEAERN CC[C@H]1CN(c2cc(N)ns2)CCS1 ZINC000234104848 350690292 /nfs/dbraw/zinc/69/02/92/350690292.db2.gz BPUZXPKSJNKGLN-ZETCQYMHSA-N 0 0 229.374 2.057 10 0 BEAERN CCc1cc(=S)[nH]c([C@H]2CCCO2)n1 ZINC000234161219 350691957 /nfs/dbraw/zinc/69/19/57/350691957.db2.gz LRPQTTRUFWMZEP-MRVPVSSYSA-N 0 0 210.302 2.179 10 0 BEAERN COc1ccc2cc(O)c([C@H]3CCOC3)nc2c1 ZINC000725267690 538099267 /nfs/dbraw/zinc/09/92/67/538099267.db2.gz SFZZSDZSLBPSFM-JTQLQIEISA-N 0 0 245.278 2.453 10 0 BEAERN Clc1cc([C@@H]2CCOC2)nc(Cl)n1 ZINC000159493351 350764976 /nfs/dbraw/zinc/76/49/76/350764976.db2.gz KUKNDTOZDLYYLU-RXMQYKEDSA-N 0 0 219.071 2.287 10 0 BEAERN Cc1sccc1C(=O)CC1OCCO1 ZINC000235808199 350724028 /nfs/dbraw/zinc/72/40/28/350724028.db2.gz ZVCKMMUJDTUPNI-UHFFFAOYSA-N 0 0 212.270 2.002 10 0 BEAERN COc1cccc2c1C[C@@H](O)[C@@H](C(C)(C)C)N2 ZINC000725267908 538099227 /nfs/dbraw/zinc/09/92/27/538099227.db2.gz BRIGUYNCPUQXOR-YPMHNXCESA-N 0 0 235.327 2.439 10 0 BEAERN O=CNc1cc(Cl)cnc1Br ZINC000306673614 350817820 /nfs/dbraw/zinc/81/78/20/350817820.db2.gz OAZQXKJLHUSIBN-UHFFFAOYSA-N 0 0 235.468 2.066 10 0 BEAERN COc1ccc2c(c1)N[C@H](CC1CC1)[C@H](O)C2 ZINC000725267988 538099422 /nfs/dbraw/zinc/09/94/22/538099422.db2.gz DSEXDWFWADAOSH-ZIAGYGMSSA-N 0 0 233.311 2.193 10 0 BEAERN CN1CCOC[C@@H]1c1cncc2ccccc21 ZINC000616600688 350779163 /nfs/dbraw/zinc/77/91/63/350779163.db2.gz HQGQWMIQHIEPER-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CCN1CCO[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616601379 350782428 /nfs/dbraw/zinc/78/24/28/350782428.db2.gz BVSYNPLMDDRFIC-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN Cc1ccsc1C(=O)c1cncnc1 ZINC000167919959 350784685 /nfs/dbraw/zinc/78/46/85/350784685.db2.gz LDAKCGJEXHNNGW-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN CC(C)[C@H](O)Cc1ccc(Br)cn1 ZINC000063039360 350786843 /nfs/dbraw/zinc/78/68/43/350786843.db2.gz DRKYKEZGZCHQNB-SNVBAGLBSA-N 0 0 244.132 2.404 10 0 BEAERN CC[C@@H](O)Cc1ccc(Br)cn1 ZINC000063039109 350787535 /nfs/dbraw/zinc/78/75/35/350787535.db2.gz TWRLPOXABNCKQF-SECBINFHSA-N 0 0 230.105 2.158 10 0 BEAERN CCOC(=O)N1CCCC[C@H](c2ccncn2)C1 ZINC000616602687 350788369 /nfs/dbraw/zinc/78/83/69/350788369.db2.gz NNQSHGQYWOHLHO-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CN1CCO[C@@H](c2cncc3ccccc32)C1 ZINC000616603364 350789249 /nfs/dbraw/zinc/78/92/49/350789249.db2.gz NFANQUFBQKQBOD-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CCN1CCO[C@@H](c2cccc3nnccc32)C1 ZINC000616602501 350792001 /nfs/dbraw/zinc/79/20/01/350792001.db2.gz KRXQRZVOKSTQFF-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN COc1ccccc1[C@@H]1CCCCN(C(N)=O)C1 ZINC000616605593 350794942 /nfs/dbraw/zinc/79/49/42/350794942.db2.gz QCMJERYMUHCFHI-LLVKDONJSA-N 0 0 248.326 2.343 10 0 BEAERN C/C=C/C(=O)NCc1coc(Br)c1 ZINC000306674218 350823180 /nfs/dbraw/zinc/82/31/80/350823180.db2.gz PVKAKGWMHMESPT-NSCUHMNNSA-N 0 0 244.088 2.234 10 0 BEAERN COC(=O)N1CCC[C@@H]1c1ccccc1CCO ZINC000616606609 350798121 /nfs/dbraw/zinc/79/81/21/350798121.db2.gz FWWXEPHAEYNRGB-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN CC(=O)N1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616609705 350803639 /nfs/dbraw/zinc/80/36/39/350803639.db2.gz HWEDBTPYKSQSJA-AWEZNQCLSA-N 0 0 241.294 2.313 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cccnn2)C1 ZINC000616609768 350803863 /nfs/dbraw/zinc/80/38/63/350803863.db2.gz IMBKRVSRURUUMP-JTQLQIEISA-N 0 0 249.314 2.201 10 0 BEAERN COC(=O)N1CCCC[C@H]1c1ccccc1CO ZINC000616610494 350806463 /nfs/dbraw/zinc/80/64/63/350806463.db2.gz JRUUDLWLVOGCOG-ZDUSSCGKSA-N 0 0 249.310 2.472 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cn[nH]c2)C1 ZINC000616609909 350807554 /nfs/dbraw/zinc/80/75/54/350807554.db2.gz KOQYYQZCJCEHOX-VIFPVBQESA-N 0 0 237.303 2.134 10 0 BEAERN Cc1cc(C(=O)c2ccncc2F)sn1 ZINC000306677974 350833576 /nfs/dbraw/zinc/83/35/76/350833576.db2.gz HKIBXYUCRWYFQI-UHFFFAOYSA-N 0 0 222.244 2.217 10 0 BEAERN COC(C)(C)[C@@H]1Nc2c(C)cccc2C[C@@H]1O ZINC000725268049 538099598 /nfs/dbraw/zinc/09/95/98/538099598.db2.gz GWJUMZWIEGULJW-WCQYABFASA-N 0 0 235.327 2.118 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616614775 350838360 /nfs/dbraw/zinc/83/83/60/350838360.db2.gz LUKZXZQQBLRNOE-OAHLLOKOSA-N 0 0 247.338 2.295 10 0 BEAERN CC(=O)c1nc(-c2ncc[nH]2)sc1C ZINC000306682382 350838758 /nfs/dbraw/zinc/83/87/58/350838758.db2.gz QZAMXORAHIBFPE-UHFFFAOYSA-N 0 0 207.258 2.044 10 0 BEAERN CNc1cccc([C@@H]2CCCCN2C(N)=O)c1 ZINC000616615611 350848688 /nfs/dbraw/zinc/84/86/88/350848688.db2.gz CLDDALSAAZGSMH-LBPRGKRZSA-N 0 0 233.315 2.334 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1ccnnc1 ZINC000616615767 350850530 /nfs/dbraw/zinc/85/05/30/350850530.db2.gz RPAQKHLKENNFBF-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN Nc1cn(Cc2ccccc2)nc1[C@@H]1CCCO1 ZINC000306703816 350852192 /nfs/dbraw/zinc/85/21/92/350852192.db2.gz BMZOKAHEESDEKO-ZDUSSCGKSA-N 0 0 243.310 2.365 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1C(F)F ZINC000616616255 350854191 /nfs/dbraw/zinc/85/41/91/350854191.db2.gz CDRGUHHWCUEVJV-ZETCQYMHSA-N 0 0 207.220 2.263 10 0 BEAERN Cc1nc(Cl)cc(SC(C)(C)CO)n1 ZINC000306707542 350854392 /nfs/dbraw/zinc/85/43/92/350854392.db2.gz MXKPSEKXUZRVCK-UHFFFAOYSA-N 0 0 232.736 2.301 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ncco2)C1 ZINC000616616986 350859576 /nfs/dbraw/zinc/85/95/76/350859576.db2.gz FKWRQYOAEPEGDQ-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)[C@H](C)C1 ZINC000251917054 362985783 /nfs/dbraw/zinc/98/57/83/362985783.db2.gz UKIJQOZQXKEBKV-CKYFFXLPSA-N 0 0 213.321 2.264 10 0 BEAERN Fc1ccc(CNc2cnsn2)cc1 ZINC000306676281 350828401 /nfs/dbraw/zinc/82/84/01/350828401.db2.gz VTBMGUUTZVPSTF-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)[C@H]2CCCS2)O1 ZINC000251831955 350904878 /nfs/dbraw/zinc/90/48/78/350904878.db2.gz NLVRRSFWNJPYMH-HRDYMLBCSA-N 0 0 200.303 2.019 10 0 BEAERN CC1(n2c3cnccc3[nH]c2=S)CC1 ZINC000306737018 350907895 /nfs/dbraw/zinc/90/78/95/350907895.db2.gz YIQLYUMZFQEOPC-UHFFFAOYSA-N 0 0 205.286 2.229 10 0 BEAERN COC(=O)N1CCC[C@@H](c2cccc(CO)c2)C1 ZINC000616618756 350925058 /nfs/dbraw/zinc/92/50/58/350925058.db2.gz WYSPSKOFKUKRMM-CYBMUJFWSA-N 0 0 249.310 2.125 10 0 BEAERN CCOC(=O)N1CCC(c2cccnc2)CC1 ZINC000616618993 350925618 /nfs/dbraw/zinc/92/56/18/350925618.db2.gz CFSIWVYEZXPCPH-UHFFFAOYSA-N 0 0 234.299 2.418 10 0 BEAERN CCOC(=O)c1nccc(C)c1Br ZINC000306741588 350932126 /nfs/dbraw/zinc/93/21/26/350932126.db2.gz DTQQVDDVEVIMAB-UHFFFAOYSA-N 0 0 244.088 2.329 10 0 BEAERN Cc1cc(N=S(C)(C)=O)c(C)cc1N ZINC000306746251 350933848 /nfs/dbraw/zinc/93/38/48/350933848.db2.gz DJYMIJOZDPEGOL-UHFFFAOYSA-N 0 0 212.318 2.245 10 0 BEAERN C[C@@H](NC1=NC[C@H](C)S1)C(F)(F)F ZINC000306746356 350934483 /nfs/dbraw/zinc/93/44/83/350934483.db2.gz IVHKGSVXYZQHKS-CRCLSJGQSA-N 0 0 212.240 2.018 10 0 BEAERN CC(C)(CO)Sc1nc(F)c(F)cc1F ZINC000306713588 350875508 /nfs/dbraw/zinc/87/55/08/350875508.db2.gz VPHQDKQAKATMIM-UHFFFAOYSA-N 0 0 237.246 2.362 10 0 BEAERN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000250592537 350882926 /nfs/dbraw/zinc/88/29/26/350882926.db2.gz HUQIJGXHUDFTIO-JGPRNRPPSA-N 0 0 216.284 2.091 10 0 BEAERN Cc1nc(C(=O)CC2CCOCC2)cs1 ZINC000159541285 350887744 /nfs/dbraw/zinc/88/77/44/350887744.db2.gz RJFCVRHYAKCWPT-UHFFFAOYSA-N 0 0 225.313 2.451 10 0 BEAERN C[C@H](O)c1cccn1Cc1cncs1 ZINC000159653959 350962343 /nfs/dbraw/zinc/96/23/43/350962343.db2.gz JSCWSRVURBAHEA-QMMMGPOBSA-N 0 0 208.286 2.046 10 0 BEAERN Cc1cccc2c1N[C@H](C1CCOCC1)[C@H](O)C2 ZINC000725268112 538099734 /nfs/dbraw/zinc/09/97/34/538099734.db2.gz KFPWRXFSHHKHTF-UKRRQHHQSA-N 0 0 247.338 2.119 10 0 BEAERN O[C@H](c1ccc(Br)cn1)C(F)F ZINC000159793214 350997980 /nfs/dbraw/zinc/99/79/80/350997980.db2.gz VRQDGDSRQXARPF-ZCFIWIBFSA-N 0 0 238.031 2.143 10 0 BEAERN CC1CCC(O)(c2cnc(N)s2)CC1 ZINC000159792668 350998004 /nfs/dbraw/zinc/99/80/04/350998004.db2.gz BWJINIQXASWJSR-UHFFFAOYSA-N 0 0 212.318 2.123 10 0 BEAERN C[C@@](O)(c1cccs1)c1cnc(N)s1 ZINC000159803154 351004063 /nfs/dbraw/zinc/00/40/63/351004063.db2.gz FLMLAWKDMSQNQN-SECBINFHSA-N 0 0 226.326 2.043 10 0 BEAERN Cn1nccc1-c1nc(Cl)cc(Cl)n1 ZINC000159810318 351004885 /nfs/dbraw/zinc/00/48/85/351004885.db2.gz GYYZJDHNHUSFEO-UHFFFAOYSA-N 0 0 229.070 2.184 10 0 BEAERN Cc1csc([C@H]2NC[C@H](C)CS2)n1 ZINC000159622019 350955810 /nfs/dbraw/zinc/95/58/10/350955810.db2.gz VMIMEBGSCXAOSD-XPUUQOCRSA-N 0 0 214.359 2.423 10 0 BEAERN Cc1sc(C(=O)NCc2ccco2)cc1N ZINC000040292213 180557333 /nfs/dbraw/zinc/55/73/33/180557333.db2.gz OCMWMYOMSYGFMP-UHFFFAOYSA-N 0 0 236.296 2.162 10 0 BEAERN O[C@@H](CF)CNc1cc(F)cc(Cl)c1 ZINC000306789635 351039350 /nfs/dbraw/zinc/03/93/50/351039350.db2.gz UAYQSCSVHNIKFP-VIFPVBQESA-N 0 0 221.634 2.221 10 0 BEAERN Cc1ccc(-n2ccc(Br)n2)nc1 ZINC000306794779 351041921 /nfs/dbraw/zinc/04/19/21/351041921.db2.gz UBCBUBDEKUHTIE-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN COc1ccc(-c2ccc(N)cn2)s1 ZINC000306791040 351041957 /nfs/dbraw/zinc/04/19/57/351041957.db2.gz ZQKZXFWBQDUWNS-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cnoc1 ZINC000616621509 351042871 /nfs/dbraw/zinc/04/28/71/351042871.db2.gz FXIJCUVDTDMPMD-SNVBAGLBSA-N 0 0 224.260 2.358 10 0 BEAERN Cc1ccc([C@@H]2NC(=O)[C@H]2C(C)C)s1 ZINC000306807258 351059646 /nfs/dbraw/zinc/05/96/46/351059646.db2.gz LTSAYVDHRURCJC-UWVGGRQHSA-N 0 0 209.314 2.500 10 0 BEAERN CCC[S@](=O)Nc1ccc(NC)cc1 ZINC000306808245 351060533 /nfs/dbraw/zinc/06/05/33/351060533.db2.gz OKLGEFNCGMWFOV-AWEZNQCLSA-N 0 0 212.318 2.214 10 0 BEAERN C[S@](=O)Nc1ccccc1Br ZINC000306809927 351064040 /nfs/dbraw/zinc/06/40/40/351064040.db2.gz SSFMLGSCZNMBBR-NSHDSACASA-N 0 0 234.118 2.155 10 0 BEAERN CCOC(=O)N1CCCC[C@H](n2ccnc2)C1 ZINC000616630361 351102447 /nfs/dbraw/zinc/10/24/47/351102447.db2.gz VXVUZFVZNSZOLC-NSHDSACASA-N 0 0 237.303 2.067 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000616631657 351106233 /nfs/dbraw/zinc/10/62/33/351106233.db2.gz CQSAQKSEMRQDFN-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cccnn2)CC1 ZINC000616626931 351107001 /nfs/dbraw/zinc/10/70/01/351107001.db2.gz FRXNELSVEUCDIP-NSHDSACASA-N 0 0 249.314 2.203 10 0 BEAERN CCN1CCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616636378 351126109 /nfs/dbraw/zinc/12/61/09/351126109.db2.gz FQVVMIUWEXEKRJ-CQSZACIVSA-N 0 0 243.310 2.023 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616634128 351116044 /nfs/dbraw/zinc/11/60/44/351116044.db2.gz SDKRAHRLEZNDDY-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN Cc1cc(CC(=O)c2ccn(C)n2)cs1 ZINC000306811151 351078011 /nfs/dbraw/zinc/07/80/11/351078011.db2.gz WBZWIQWNJGAQBP-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN CC(=O)N1CCCCC[C@H]1c1cccnc1N ZINC000616622422 351086150 /nfs/dbraw/zinc/08/61/50/351086150.db2.gz CZWFFEDGOWAPJH-LBPRGKRZSA-N 0 0 233.315 2.127 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616627361 351094502 /nfs/dbraw/zinc/09/45/02/351094502.db2.gz KFQNCQYFZHQWBT-SNVBAGLBSA-N 0 0 237.303 2.136 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ncccn2)CC1 ZINC000616627330 351094633 /nfs/dbraw/zinc/09/46/33/351094633.db2.gz ITRSWJNDQKDKQL-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN CC(=O)N1CCC[C@@H](c2ccccc2N)CC1 ZINC000616628285 351097630 /nfs/dbraw/zinc/09/76/30/351097630.db2.gz PEGAREKVEPVQQM-GFCCVEGCSA-N 0 0 232.327 2.385 10 0 BEAERN c1cc([C@@H]2COCCN2Cc2ccccc2)no1 ZINC000616640219 351145165 /nfs/dbraw/zinc/14/51/65/351145165.db2.gz WZHSWFHMRSKAEG-AWEZNQCLSA-N 0 0 244.294 2.248 10 0 BEAERN c1nc([C@H]2COCCN2Cc2ccccc2)co1 ZINC000616639858 351146041 /nfs/dbraw/zinc/14/60/41/351146041.db2.gz QMFZPKDINQAYLZ-CQSZACIVSA-N 0 0 244.294 2.248 10 0 BEAERN CNc1cccc([C@H]2CN(C(C)=O)CCCO2)c1 ZINC000616655377 351193007 /nfs/dbraw/zinc/19/30/07/351193007.db2.gz YHDRFLHNJKRFGR-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN NC(=S)c1ccc(NCc2ccccc2)cn1 ZINC000129327171 351128357 /nfs/dbraw/zinc/12/83/57/351128357.db2.gz LQCXQKNXFJICQW-UHFFFAOYSA-N 0 0 243.335 2.328 10 0 BEAERN Cc1nc(C(=O)c2cncs2)cs1 ZINC000306820767 351128788 /nfs/dbraw/zinc/12/87/88/351128788.db2.gz DUNZKIPJSDWKNZ-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN FC(F)(F)CCNC1N=NC(=S)S1 ZINC000063100729 351140526 /nfs/dbraw/zinc/14/05/26/351140526.db2.gz CRSAJLYSJXMOPC-UHFFFAOYSA-N 0 0 229.252 2.191 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1c1cocn1 ZINC000616670082 351231945 /nfs/dbraw/zinc/23/19/45/351231945.db2.gz YPQFKPYMISBCMO-GFCCVEGCSA-N 0 0 243.266 2.247 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1c1ccno1 ZINC000616670579 351233563 /nfs/dbraw/zinc/23/35/63/351233563.db2.gz WRFWVUJDVOQYON-NSHDSACASA-N 0 0 243.266 2.247 10 0 BEAERN CN1C[C@H](c2cnco2)Cc2ccccc21 ZINC000616671838 351236868 /nfs/dbraw/zinc/23/68/68/351236868.db2.gz VFNWWCBUVUMBNN-LLVKDONJSA-N 0 0 214.268 2.451 10 0 BEAERN Cc1ccc(NCc2ccsc2)nn1 ZINC000063153150 351263467 /nfs/dbraw/zinc/26/34/67/351263467.db2.gz HPTOTXCLDJZBHN-UHFFFAOYSA-N 0 0 205.286 2.459 10 0 BEAERN CCN1CC[C@@H](c2c[nH]nn2)c2ccccc21 ZINC000616672603 351239724 /nfs/dbraw/zinc/23/97/24/351239724.db2.gz NMLHZVNJXRGJFX-SNVBAGLBSA-N 0 0 228.299 2.167 10 0 BEAERN CC(C)(C)N1C[C@H](O)Cc2ccccc21 ZINC000616672853 351239807 /nfs/dbraw/zinc/23/98/07/351239807.db2.gz ORYHBMZTXFHXLQ-LLVKDONJSA-N 0 0 205.301 2.209 10 0 BEAERN CC(=O)N1C[C@H](c2ncco2)Cc2ccccc21 ZINC000616674687 351242296 /nfs/dbraw/zinc/24/22/96/351242296.db2.gz XELIIMLSPKIBLS-GFCCVEGCSA-N 0 0 242.278 2.367 10 0 BEAERN C[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(N)n1 ZINC000616677030 351242800 /nfs/dbraw/zinc/24/28/00/351242800.db2.gz FUMFPNKGMMWFQC-OAHLLOKOSA-N 0 0 239.322 2.241 10 0 BEAERN CN1C[C@@H](c2cccnn2)Nc2ccccc21 ZINC000616680976 351248258 /nfs/dbraw/zinc/24/82/58/351248258.db2.gz KIANYIPOLVLWOD-LBPRGKRZSA-N 0 0 226.283 2.080 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1ncco1 ZINC000616682187 351252737 /nfs/dbraw/zinc/25/27/37/351252737.db2.gz FTFIFAJCEDFBLF-NSHDSACASA-N 0 0 215.256 2.278 10 0 BEAERN CCN1C[C@H](c2conn2)Nc2ccccc21 ZINC000616683280 351254359 /nfs/dbraw/zinc/25/43/59/351254359.db2.gz RJOHTFVLWMPDOG-SNVBAGLBSA-N 0 0 230.271 2.063 10 0 BEAERN CCOC(=O)[C@H]1CN(C(C)C)c2ccccc2N1 ZINC000616684353 351255104 /nfs/dbraw/zinc/25/51/04/351255104.db2.gz XXYVZEJUCOAJQE-GFCCVEGCSA-N 0 0 248.326 2.259 10 0 BEAERN COC(=O)N1c2ccccc2NC[C@@H]1C ZINC000616685988 351255589 /nfs/dbraw/zinc/25/55/89/351255589.db2.gz ZHPNNDLLOXLTRQ-QMMMGPOBSA-N 0 0 206.245 2.073 10 0 BEAERN CCOC(=O)N1C[C@@H](C(C)=O)Nc2ccccc21 ZINC000616686482 351256754 /nfs/dbraw/zinc/25/67/54/351256754.db2.gz MVBAJUXOCPTZFC-NSHDSACASA-N 0 0 248.282 2.033 10 0 BEAERN CC(=O)N1C[C@H](C(F)(F)F)Nc2ccccc21 ZINC000616685660 351257626 /nfs/dbraw/zinc/25/76/26/351257626.db2.gz RONBPBSKMUQVQM-SNVBAGLBSA-N 0 0 244.216 2.396 10 0 BEAERN C[C@@H]1CCN(C(N)=S)c2ccccc21 ZINC000306869176 351257821 /nfs/dbraw/zinc/25/78/21/351257821.db2.gz RUEFKGUOUZKCIK-MRVPVSSYSA-N 0 0 206.314 2.244 10 0 BEAERN C[C@H]1CCN(C(N)=S)c2ccccc21 ZINC000306869177 351257837 /nfs/dbraw/zinc/25/78/37/351257837.db2.gz RUEFKGUOUZKCIK-QMMMGPOBSA-N 0 0 206.314 2.244 10 0 BEAERN CC(C)N1c2ccccc2NC[C@H]1CCO ZINC000616685926 351258755 /nfs/dbraw/zinc/25/87/55/351258755.db2.gz ZTFGIGWOPUWGEV-LLVKDONJSA-N 0 0 220.316 2.078 10 0 BEAERN CC(=O)N1C[C@@H](c2ccon2)Cc2ccccc21 ZINC000616691171 351259544 /nfs/dbraw/zinc/25/95/44/351259544.db2.gz WHFWBENWMSKXFT-LBPRGKRZSA-N 0 0 242.278 2.367 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@H]1C(F)F ZINC000616668605 351227543 /nfs/dbraw/zinc/22/75/43/351227543.db2.gz AUSFLABJGCKIPF-VIFPVBQESA-N 0 0 226.226 2.152 10 0 BEAERN c1nocc1[C@@H]1CNc2ccccc2C1 ZINC000616669976 351228131 /nfs/dbraw/zinc/22/81/31/351228131.db2.gz PPBRMTYOXZHYFH-JTQLQIEISA-N 0 0 200.241 2.426 10 0 BEAERN CCSc1nc(Cl)nc2[nH]cnc21 ZINC000005884558 351289993 /nfs/dbraw/zinc/28/99/93/351289993.db2.gz WTQRLTKOSKLHNW-UHFFFAOYSA-N 0 0 214.681 2.118 10 0 BEAERN O=C1CCN(c2cccc(C(F)F)c2)C1 ZINC000306884356 351290253 /nfs/dbraw/zinc/29/02/53/351290253.db2.gz QCEODALGIHNZSP-UHFFFAOYSA-N 0 0 211.211 2.403 10 0 BEAERN C[C@@H](O)CNc1cccc(C(F)F)c1 ZINC000306886350 351293526 /nfs/dbraw/zinc/29/35/26/351293526.db2.gz SKFDWRPOMHOHRD-SSDOTTSWSA-N 0 0 201.216 2.417 10 0 BEAERN Cc1nnc(Cl)n1[C@H](C)C(C)(F)F ZINC000306891528 351304699 /nfs/dbraw/zinc/30/46/99/351304699.db2.gz GJVILSCMNOPDPO-SCSAIBSYSA-N 0 0 209.627 2.456 10 0 BEAERN C[C@H](N)c1nnc(SCc2ccccc2)o1 ZINC000005912092 351307532 /nfs/dbraw/zinc/30/75/32/351307532.db2.gz IKMBDCNQZFCBMT-QMMMGPOBSA-N 0 0 235.312 2.382 10 0 BEAERN O[C@H](c1occc1Br)[C@@H]1CCOC1 ZINC000068981394 351311964 /nfs/dbraw/zinc/31/19/64/351311964.db2.gz XNHJRJFMJKHDPK-SVRRBLITSA-N 0 0 247.088 2.112 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)c2ccnn2C)C1 ZINC000069019776 351335794 /nfs/dbraw/zinc/33/57/94/351335794.db2.gz WCZKOTFFEYCDPT-VHSXEESVSA-N 0 0 206.289 2.429 10 0 BEAERN CC[C@@H]1CS[C@@H](c2cnc(OC)s2)N1 ZINC000306914748 351327311 /nfs/dbraw/zinc/32/73/11/351327311.db2.gz SIAWSYFEEWVHEX-SVRRBLITSA-N 0 0 230.358 2.265 10 0 BEAERN Cc1cc(CO)ccc1I ZINC000090189029 363021994 /nfs/dbraw/zinc/02/19/94/363021994.db2.gz GKVHYRRQQVUDKB-UHFFFAOYSA-N 0 0 248.063 2.092 10 0 BEAERN CC(=O)Nc1ccc(-n2cc[nH]c2=S)cc1 ZINC000034964268 351367702 /nfs/dbraw/zinc/36/77/02/351367702.db2.gz WJUFYBFWCCXEJZ-UHFFFAOYSA-N 0 0 233.296 2.493 10 0 BEAERN CC(C)(C)SCc1csc(=NN)[nH]1 ZINC000306949269 351374973 /nfs/dbraw/zinc/37/49/73/351374973.db2.gz VKLOTYDGPZGDHF-UHFFFAOYSA-N 0 0 217.363 2.460 10 0 BEAERN C[C@]1(c2nc(Br)ns2)C[C@H]1F ZINC000306951068 351378401 /nfs/dbraw/zinc/37/84/01/351378401.db2.gz LKHYPECHZQKZHE-CVYQJGLWSA-N 0 0 237.097 2.300 10 0 BEAERN CSC(C)(C)[C@@H](O)c1ccncc1F ZINC000306966882 351385467 /nfs/dbraw/zinc/38/54/67/351385467.db2.gz MCKSQBORGVIIDB-VIFPVBQESA-N 0 0 215.293 2.396 10 0 BEAERN C[C@@H](CO)Nc1ccc(F)cc1Br ZINC000306975368 351396263 /nfs/dbraw/zinc/39/62/63/351396263.db2.gz ZLDDXNOZVRQHTE-LURJTMIESA-N 0 0 248.095 2.381 10 0 BEAERN COc1cc(C(F)(F)F)cc(N)c1F ZINC000168243985 351352204 /nfs/dbraw/zinc/35/22/04/351352204.db2.gz NDGHYBVGHLDSSH-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CCC(CC)NC(=O)[C@@H](C)NCc1ccco1 ZINC000034938483 351353348 /nfs/dbraw/zinc/35/33/48/351353348.db2.gz BFUPKEWADJBWRN-SNVBAGLBSA-N 0 0 238.331 2.063 10 0 BEAERN OCc1cc(F)cc(OC(F)F)c1F ZINC000306935897 351360100 /nfs/dbraw/zinc/36/01/00/351360100.db2.gz IXOGXZXRKXDJPY-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN O=Cc1cc(F)c(OC(F)F)cc1F ZINC000307023352 351427855 /nfs/dbraw/zinc/42/78/55/351427855.db2.gz FJOQJTIBLCAUQO-UHFFFAOYSA-N 0 0 208.110 2.379 10 0 BEAERN C(NC1=[NH+]C[C@@H](C2CCC2)S1)C1CC1 ZINC000307032062 351432893 /nfs/dbraw/zinc/43/28/93/351432893.db2.gz PMPWPCIKQOZFET-JTQLQIEISA-N 0 0 210.346 2.258 10 0 BEAERN Cc1nsc(N[C@H](C)CC(F)F)n1 ZINC000307024239 351433562 /nfs/dbraw/zinc/43/35/62/351433562.db2.gz VXMUOYGCHOECNK-SCSAIBSYSA-N 0 0 207.249 2.302 10 0 BEAERN C/C=C/CNc1nnc(Br)s1 ZINC000307043316 351445308 /nfs/dbraw/zinc/44/53/08/351445308.db2.gz SRAOREWECIIWNF-NSCUHMNNSA-N 0 0 234.122 2.289 10 0 BEAERN C[C@H]1CN[C@@H](c2ccns2)SC1 ZINC000404443419 351459163 /nfs/dbraw/zinc/45/91/63/351459163.db2.gz LXZRRYZTSKPJMK-POYBYMJQSA-N 0 0 200.332 2.114 10 0 BEAERN S=C1N=NC(N2CCC=C(Cl)C2)S1 ZINC000404443918 351459308 /nfs/dbraw/zinc/45/93/08/351459308.db2.gz ZDTHCOJYXQPCDE-UHFFFAOYSA-N 0 0 233.749 2.160 10 0 BEAERN Cc1cc([C@@H]2NCCCS2)sn1 ZINC000404455494 351459367 /nfs/dbraw/zinc/45/93/67/351459367.db2.gz VFJDPLZGWKBTNH-MRVPVSSYSA-N 0 0 200.332 2.177 10 0 BEAERN Cc1cc(NCc2ccno2)nc(Cl)n1 ZINC000231914314 351460638 /nfs/dbraw/zinc/46/06/38/351460638.db2.gz XKUDERMBJFGKKX-UHFFFAOYSA-N 0 0 224.651 2.039 10 0 BEAERN Brc1c[nH]nc1[C@H]1CCCO1 ZINC000307065087 351461827 /nfs/dbraw/zinc/46/18/27/351461827.db2.gz QUYFONMUNGUCGO-ZCFIWIBFSA-N 0 0 217.066 2.024 10 0 BEAERN Nc1ccc(Cl)c(F)c1N1CCC1 ZINC000307065301 351462789 /nfs/dbraw/zinc/46/27/89/351462789.db2.gz SWKNAKHWIQPIEC-UHFFFAOYSA-N 0 0 200.644 2.271 10 0 BEAERN C[C@@]1(C(=O)C[C@H]2CCOC2)CCCS1 ZINC000307068599 351463472 /nfs/dbraw/zinc/46/34/72/351463472.db2.gz WVRGYNZZYMAMMK-KOLCDFICSA-N 0 0 214.330 2.268 10 0 BEAERN COc1cc(F)c(N)c(C(F)(F)F)c1 ZINC000307077929 351467625 /nfs/dbraw/zinc/46/76/25/351467625.db2.gz MLRXGOZUVSPFHA-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN C[C@H]1CN([C@@H]2CCC(F)(F)C2)CCC1=O ZINC000306994783 351408750 /nfs/dbraw/zinc/40/87/50/351408750.db2.gz OJKSBVZYFHVFOR-DTWKUNHWSA-N 0 0 217.259 2.085 10 0 BEAERN Nc1cnc(N2CCC=C(Cl)C2)s1 ZINC000404365993 351409078 /nfs/dbraw/zinc/40/90/78/351409078.db2.gz TURNCHIZQTWUFO-UHFFFAOYSA-N 0 0 215.709 2.058 10 0 BEAERN C[C@H]1CN([C@H]2CCC(F)(F)C2)CCC1=O ZINC000306994784 351409870 /nfs/dbraw/zinc/40/98/70/351409870.db2.gz OJKSBVZYFHVFOR-IUCAKERBSA-N 0 0 217.259 2.085 10 0 BEAERN Cc1cc(CC(=O)c2ccnnc2)cs1 ZINC000306998992 351411015 /nfs/dbraw/zinc/41/10/15/351411015.db2.gz YYFUEZHUIRHYIS-UHFFFAOYSA-N 0 0 218.281 2.272 10 0 BEAERN COc1ccc([C@H](O)C(F)(F)F)s1 ZINC000306996728 351411731 /nfs/dbraw/zinc/41/17/31/351411731.db2.gz TXEWVENYEMKQGC-LURJTMIESA-N 0 0 212.192 2.352 10 0 BEAERN O=C1CSC(N2CCC=C(Cl)C2)=N1 ZINC000404390977 351422854 /nfs/dbraw/zinc/42/28/54/351422854.db2.gz MIMXUNHKDKBMNY-UHFFFAOYSA-N 0 0 216.693 2.182 10 0 BEAERN COc1nc([C@@]2(O)CCC2(C)C)cs1 ZINC000307130076 351492795 /nfs/dbraw/zinc/49/27/95/351492795.db2.gz KMAYYLIENZBAOW-JTQLQIEISA-N 0 0 213.302 2.159 10 0 BEAERN CC(C)[S@](=O)Nc1cccnc1Cl ZINC000307136952 351494172 /nfs/dbraw/zinc/49/41/72/351494172.db2.gz WAHXPOCJJZWRKJ-ZDUSSCGKSA-N 0 0 218.709 2.219 10 0 BEAERN Cc1ccc([C@]2(O)CCOC2)cc1Cl ZINC000231980732 351494460 /nfs/dbraw/zinc/49/44/60/351494460.db2.gz WQPUGRKHORWSSK-NSHDSACASA-N 0 0 212.676 2.256 10 0 BEAERN OC[C@H]1CCC[C@H](Nc2nsnc2Cl)C1 ZINC000307145131 351498372 /nfs/dbraw/zinc/49/83/72/351498372.db2.gz IUJHOKWFLAISCD-BQBZGAKWSA-N 0 0 247.751 2.155 10 0 BEAERN CCc1nnc(-c2c[nH]c(Br)c2)o1 ZINC000307141087 351500651 /nfs/dbraw/zinc/50/06/51/351500651.db2.gz DBIBBWRYKANYHR-UHFFFAOYSA-N 0 0 242.076 2.390 10 0 BEAERN CCC(CC)Cn1cc2c(n1)[C@H](C)NC(=O)O2 ZINC000725268247 538100354 /nfs/dbraw/zinc/10/03/54/538100354.db2.gz VSTJQVIOFWRWRM-QMMMGPOBSA-N 0 0 237.303 2.482 10 0 BEAERN C[C@H]([C@@H]1C[C@H]1C)n1ncc(Br)c1N ZINC000307150715 351504486 /nfs/dbraw/zinc/50/44/86/351504486.db2.gz AQROMPBKYFXCPJ-FSDSQADBSA-N 0 0 244.136 2.445 10 0 BEAERN Clc1cncc(-c2ccnc(Cl)n2)n1 ZINC000072204463 180598976 /nfs/dbraw/zinc/59/89/76/180598976.db2.gz QUSRRUZZMKFFGW-UHFFFAOYSA-N 0 0 227.054 2.240 10 0 BEAERN CC(C)N1C(=S)N=NC1C(C)(C)F ZINC000307085760 351470401 /nfs/dbraw/zinc/47/04/01/351470401.db2.gz MSCXAYGEXXUAHV-UHFFFAOYSA-N 0 0 203.286 2.352 10 0 BEAERN Cc1sc(=NN)[nH]c1-c1ccsc1 ZINC000307087109 351471590 /nfs/dbraw/zinc/47/15/90/351471590.db2.gz ZNWMKEUQPQKNHC-UHFFFAOYSA-N 0 0 211.315 2.466 10 0 BEAERN CCNC(=O)Nc1snc(C)c1Cl ZINC000307109243 351480155 /nfs/dbraw/zinc/48/01/55/351480155.db2.gz BFYRRCYPOVBCRZ-UHFFFAOYSA-N 0 0 219.697 2.246 10 0 BEAERN CSC(C)(C)c1nc(C)cc(C=O)n1 ZINC000307120887 351489621 /nfs/dbraw/zinc/48/96/21/351489621.db2.gz JGXUNFOYVIFNQO-UHFFFAOYSA-N 0 0 210.302 2.196 10 0 BEAERN Cc1cc(N2C[C@H]3CCC[C@H]32)nc(C)n1 ZINC000335792969 538100494 /nfs/dbraw/zinc/10/04/94/538100494.db2.gz GVVZPSTYSZNLIN-GHMZBOCLSA-N 0 0 203.289 2.082 10 0 BEAERN Clc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000075484377 180604716 /nfs/dbraw/zinc/60/47/16/180604716.db2.gz DWRARMASWJUSSQ-UHFFFAOYSA-N 0 0 224.603 2.119 10 0 BEAERN COc1cccc2c1N[C@@H](C1CCC1)[C@@H](O)C2 ZINC000725268486 538100514 /nfs/dbraw/zinc/10/05/14/538100514.db2.gz SKTFIFYJNZDDTE-AAEUAGOBSA-N 0 0 233.311 2.193 10 0 BEAERN C[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@H]1C(=O)[O-] ZINC000252102328 363065171 /nfs/dbraw/zinc/06/51/71/363065171.db2.gz GLEUJJKLVVLIQL-MXWKQRLJSA-N 0 0 211.305 2.114 10 0 BEAERN Clc1ncc2c(n1)[C@H]1CCCCN1C2 ZINC000307170096 351544124 /nfs/dbraw/zinc/54/41/24/351544124.db2.gz ZWECRTITCGKLHL-MRVPVSSYSA-N 0 0 209.680 2.171 10 0 BEAERN CC(=O)c1cnc(C[C@@H]2CCCO2)s1 ZINC000054159108 351570827 /nfs/dbraw/zinc/57/08/27/351570827.db2.gz RAAWXIDGXNZPBY-QMMMGPOBSA-N 0 0 211.286 2.067 10 0 BEAERN CCc1cccc2c1N[C@@H](C(C)(C)OC)[C@H](O)C2 ZINC000725268446 538100658 /nfs/dbraw/zinc/10/06/58/538100658.db2.gz QXPZIEURHMSTJW-TZMCWYRMSA-N 0 0 249.354 2.372 10 0 BEAERN COc1ccc2c(c1)C[C@@H](O)[C@@H](C1CCC1)N2 ZINC000725268455 538100665 /nfs/dbraw/zinc/10/06/65/538100665.db2.gz RHFQPZOLNUKTMM-ZIAGYGMSSA-N 0 0 233.311 2.193 10 0 BEAERN Cc1nnc(N[C@H](C)CC(F)F)s1 ZINC000307194788 351596172 /nfs/dbraw/zinc/59/61/72/351596172.db2.gz QBVROEWOHHGGCM-SCSAIBSYSA-N 0 0 207.249 2.302 10 0 BEAERN Cn1c(C(=O)OC(C)(C)C)c[nH]c1=S ZINC000307060302 180615426 /nfs/dbraw/zinc/61/54/26/180615426.db2.gz JEFXBVDPXPOPFA-UHFFFAOYSA-N 0 0 214.290 2.038 10 0 BEAERN Cn1c2cc(C=O)ccc2nc1C(F)F ZINC000299889292 180615926 /nfs/dbraw/zinc/61/59/26/180615926.db2.gz HBEGGCMTYUDJGT-UHFFFAOYSA-N 0 0 210.183 2.323 10 0 BEAERN COC(=O)C[C@@H]1COc2cc(C)cc(C)c21 ZINC000606302516 351555839 /nfs/dbraw/zinc/55/58/39/351555839.db2.gz OBFXNXHIZJVYQP-SNVBAGLBSA-N 0 0 220.268 2.343 10 0 BEAERN Nc1nc(-c2ccc(OCC3CC3)nc2)cs1 ZINC000606302799 351556491 /nfs/dbraw/zinc/55/64/91/351556491.db2.gz XIXPDEXRPNDCJH-UHFFFAOYSA-N 0 0 247.323 2.406 10 0 BEAERN CCOc1ccc2c(c1)C[C@H](O)[C@@H](C1CC1)N2 ZINC000725268414 538100732 /nfs/dbraw/zinc/10/07/32/538100732.db2.gz QDCDZWVUHVMKEI-UONOGXRCSA-N 0 0 233.311 2.193 10 0 BEAERN C[C@@]1(C(=O)NC2CCC2)CC1(Cl)Cl ZINC000307221107 351644711 /nfs/dbraw/zinc/64/47/11/351644711.db2.gz PKXJYKCOGXAFAD-QMMMGPOBSA-N 0 0 222.115 2.239 10 0 BEAERN O=C1CCC(O[C@H]2CCSC2)CC1 ZINC000405329797 363077406 /nfs/dbraw/zinc/07/74/06/363077406.db2.gz WFAVJPLNVIUIFQ-JTQLQIEISA-N 0 0 200.303 2.020 10 0 BEAERN CC(C)N(CC(F)F)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000161846922 323568439 /nfs/dbraw/zinc/56/84/39/323568439.db2.gz CRPLBCOJQGUDKH-IUCAKERBSA-N 0 0 235.274 2.056 10 0 BEAERN COC(C)(C)[C@H]1Nc2ccc(C)cc2C[C@@H]1O ZINC000725268479 538100810 /nfs/dbraw/zinc/10/08/10/538100810.db2.gz SBHIUBTUSUYNFQ-STQMWFEESA-N 0 0 235.327 2.118 10 0 BEAERN CC[C@H](C)[C@H]1Nc2c(cccc2OC)C[C@@H]1O ZINC000725268609 538100887 /nfs/dbraw/zinc/10/08/87/538100887.db2.gz WRKBMDDFQRSRAX-XHVZSJERSA-N 0 0 235.327 2.439 10 0 BEAERN C[C@H]1SCCC[C@H]1Nc1cncnc1 ZINC000232086222 351700835 /nfs/dbraw/zinc/70/08/35/351700835.db2.gz LFADPBXFEQEVEJ-PSASIEDQSA-N 0 0 209.318 2.173 10 0 BEAERN Cc1cncc(NC2=NCCCS2)c1 ZINC000232079330 351674096 /nfs/dbraw/zinc/67/40/96/351674096.db2.gz QHZIEZHBKXQYEH-UHFFFAOYSA-N 0 0 207.302 2.295 10 0 BEAERN Cc1nc(-c2cc(C)c(N)cn2)cs1 ZINC000307236699 351723562 /nfs/dbraw/zinc/72/35/62/351723562.db2.gz GIQPEADUQMPXTH-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CS[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000307244750 351748986 /nfs/dbraw/zinc/74/89/86/351748986.db2.gz LQYAEGBRVWPGRE-SNVBAGLBSA-N 0 0 213.346 2.307 10 0 BEAERN Cc1csc(C(=O)c2nncn2C)c1Cl ZINC000307252785 351779142 /nfs/dbraw/zinc/77/91/42/351779142.db2.gz TTYYXUNYJCYOGI-UHFFFAOYSA-N 0 0 241.703 2.069 10 0 BEAERN Cc1cc(F)c(Br)c(N)c1N ZINC000232101163 351786741 /nfs/dbraw/zinc/78/67/41/351786741.db2.gz PLWGEHKOSLHPRB-UHFFFAOYSA-N 0 0 219.057 2.061 10 0 BEAERN CC1(C(=O)Nc2ccc(C=O)cc2)CC1 ZINC000307254151 351789353 /nfs/dbraw/zinc/78/93/53/351789353.db2.gz WZMHATMPEHJCRV-UHFFFAOYSA-N 0 0 203.241 2.238 10 0 BEAERN Cc1nc([C@]2(O)CSC[C@H]2C)cs1 ZINC000307255539 351790340 /nfs/dbraw/zinc/79/03/40/351790340.db2.gz ZOEVETKSFYYHRA-MUWHJKNJSA-N 0 0 215.343 2.022 10 0 BEAERN C/C=C/Cn1ccc(Br)n1 ZINC000307259635 351798605 /nfs/dbraw/zinc/79/86/05/351798605.db2.gz KPGGSACUUJQDMW-NSCUHMNNSA-N 0 0 201.067 2.222 10 0 BEAERN Cc1nnsc1CNOCc1ccccc1 ZINC000307250707 351758473 /nfs/dbraw/zinc/75/84/73/351758473.db2.gz MLZYBPHBWWFQKZ-UHFFFAOYSA-N 0 0 235.312 2.068 10 0 BEAERN C[C@H]1CCCC[C@H]1C(=O)c1ccn(C)n1 ZINC000307252230 351770370 /nfs/dbraw/zinc/77/03/70/351770370.db2.gz RSFXORWNKKSYAF-VHSXEESVSA-N 0 0 206.289 2.429 10 0 BEAERN Cc1ccc(F)cc1C(=O)c1cn[nH]c1 ZINC000307252345 351771028 /nfs/dbraw/zinc/77/10/28/351771028.db2.gz RYHLFPVTSHJEBS-UHFFFAOYSA-N 0 0 204.204 2.088 10 0 BEAERN CNc1cccc(C(=O)NCC[C@@H]2CCCO2)c1 ZINC000637901390 351771290 /nfs/dbraw/zinc/77/12/90/351771290.db2.gz CLPGLPUTSPLESO-ZDUSSCGKSA-N 0 0 248.326 2.027 10 0 BEAERN CO[C@H](C)C(=O)c1cc(F)c(F)cc1F ZINC000307251777 351772351 /nfs/dbraw/zinc/77/23/51/351772351.db2.gz OQQLRJXVMMNDGL-RXMQYKEDSA-N 0 0 218.174 2.322 10 0 BEAERN C[C@@H](c1ccccn1)[C@H](O)C(C)(F)F ZINC000300876499 363092721 /nfs/dbraw/zinc/09/27/21/363092721.db2.gz LYCJJUBBSNDGBG-CBAPKCEASA-N 0 0 201.216 2.201 10 0 BEAERN Cn1cc(CNc2c(N)cccc2Cl)cn1 ZINC000041054684 180652717 /nfs/dbraw/zinc/65/27/17/180652717.db2.gz SXQQSYXFKBMEGP-UHFFFAOYSA-N 0 0 236.706 2.268 10 0 BEAERN Cc1c(N)cncc1-c1cccc(O)c1 ZINC000725269430 538101586 /nfs/dbraw/zinc/10/15/86/538101586.db2.gz KZJKNZKAEIVUTR-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN CC[C@]1(C)C(=O)N[C@@H]1[C@H]1CCCSC1 ZINC000307306048 351932697 /nfs/dbraw/zinc/93/26/97/351932697.db2.gz SLEHEBGZLSNOJR-NGZCFLSTSA-N 0 0 213.346 2.044 10 0 BEAERN C[C@@]1(c2nc(N)cs2)CCCS1 ZINC000307307378 351939838 /nfs/dbraw/zinc/93/98/38/351939838.db2.gz VFAUPBPSHYDPER-QMMMGPOBSA-N 0 0 200.332 2.468 10 0 BEAERN Cn1cc(SCc2ccccc2N)cn1 ZINC000042405991 180663322 /nfs/dbraw/zinc/66/33/22/180663322.db2.gz YQZXPJRHULMKSL-UHFFFAOYSA-N 0 0 219.313 2.295 10 0 BEAERN Cn1cc([C@H](O)c2ccc3ncccc3c2)cn1 ZINC000062801800 180671571 /nfs/dbraw/zinc/67/15/71/180671571.db2.gz SPYPDKPKQYSUPU-CQSZACIVSA-N 0 0 239.278 2.050 10 0 BEAERN Cc1nc(C)c([C@H]2NCCS2)s1 ZINC000307326430 352018391 /nfs/dbraw/zinc/01/83/91/352018391.db2.gz HRBCLUZZHXCZEW-QMMMGPOBSA-N 0 0 200.332 2.095 10 0 BEAERN Brc1nnc(CC2CCC2)o1 ZINC000232176152 352032395 /nfs/dbraw/zinc/03/23/95/352032395.db2.gz AQMAKCWUMRDVGA-UHFFFAOYSA-N 0 0 217.066 2.175 10 0 BEAERN CCC(C)(C)CC(=O)NC[C@H]1CCC[C@H]1O ZINC000073136859 352119542 /nfs/dbraw/zinc/11/95/42/352119542.db2.gz HLWQWECWALADBP-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN O=C1Cc2c(c(F)cc(Br)c2F)N1 ZINC000232187679 352082374 /nfs/dbraw/zinc/08/23/74/352082374.db2.gz JTSYAHHAXKDAKH-UHFFFAOYSA-N 0 0 248.026 2.222 10 0 BEAERN Cn1cc(COc2nc(Cl)cs2)cn1 ZINC000307341328 352090845 /nfs/dbraw/zinc/09/08/45/352090845.db2.gz ZEWLGSABLWIPOH-UHFFFAOYSA-N 0 0 229.692 2.109 10 0 BEAERN CN(C)[S@@](C)(=O)=NCC1CCC(F)CC1 ZINC000725270022 538102170 /nfs/dbraw/zinc/10/21/70/538102170.db2.gz CQAIZINDRYNTSU-HEEBCNDISA-N 0 0 236.356 2.089 10 0 BEAERN Cc1cccc([C@@H](C[NH3+])C2(C(=O)[O-])CCC2)c1 ZINC000536953957 538102302 /nfs/dbraw/zinc/10/23/02/538102302.db2.gz MJXBJZASJIEBPG-GFCCVEGCSA-N 0 0 233.311 2.292 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12C[C@H](C)CC[C@@H]2C ZINC000252126561 363129878 /nfs/dbraw/zinc/12/98/78/363129878.db2.gz LMHBHZBNYYWSSJ-QCZKYFFMSA-N 0 0 212.289 2.143 10 0 BEAERN Cn1cc(C(=O)[C@@H]2CCC(F)(F)C2)cn1 ZINC000300924738 363147115 /nfs/dbraw/zinc/14/71/15/363147115.db2.gz QDWMQPSJZVHQNG-SSDOTTSWSA-N 0 0 214.215 2.038 10 0 BEAERN Cc1nc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n[nH]1 ZINC000163784201 352272065 /nfs/dbraw/zinc/27/20/65/352272065.db2.gz ZWMDRJOHYVEQIQ-GHMZBOCLSA-N 0 0 248.330 2.268 10 0 BEAERN O=C(c1ncncc1Br)C1CCC1 ZINC000307360729 352353304 /nfs/dbraw/zinc/35/33/04/352353304.db2.gz GNYHRGVGWKTBQY-UHFFFAOYSA-N 0 0 241.088 2.222 10 0 BEAERN CCCCNC(=O)N[C@H]1CCc2c1cccc2N ZINC000725270852 538102759 /nfs/dbraw/zinc/10/27/59/538102759.db2.gz FSULUMMOBYZLHN-ZDUSSCGKSA-N 0 0 247.342 2.355 10 0 BEAERN CCCCCCNC(=S)NC(=O)C(C)C ZINC000040897787 168667547 /nfs/dbraw/zinc/66/75/47/168667547.db2.gz CSEUJNFLAIFJEX-UHFFFAOYSA-N 0 0 230.377 2.213 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@H]1CC=CCC1 ZINC000638601936 352437466 /nfs/dbraw/zinc/43/74/66/352437466.db2.gz SPEUHCQGCLZHED-RWMBFGLXSA-N 0 0 238.375 2.222 10 0 BEAERN O=C1C[C@H](c2cccc(F)c2Br)N1 ZINC000307368595 352454199 /nfs/dbraw/zinc/45/41/99/352454199.db2.gz NGXQAIWZLBOGAR-SSDOTTSWSA-N 0 0 244.063 2.149 10 0 BEAERN CC[C@H]([NH3+])c1nscc1Br ZINC000404795781 352468972 /nfs/dbraw/zinc/46/89/72/352468972.db2.gz HWFYAFYUCXIMNT-YFKPBYRVSA-N 0 0 221.123 2.315 10 0 BEAERN OC[C@@]1(Cc2cscn2)CC=CCC1 ZINC000307375216 352474574 /nfs/dbraw/zinc/47/45/74/352474574.db2.gz YUJWNSMHXGTNLV-NSHDSACASA-N 0 0 209.314 2.404 10 0 BEAERN OCc1ccc(Cl)c(NC2CSC2)c1 ZINC000307377694 352476152 /nfs/dbraw/zinc/47/61/52/352476152.db2.gz XAPVVWAFTVCXND-UHFFFAOYSA-N 0 0 229.732 2.360 10 0 BEAERN C[C@@H]1SC[C@H]([C@@H](O)C2CC2)S[C@H]1C ZINC000300023499 352552624 /nfs/dbraw/zinc/55/26/24/352552624.db2.gz CTLZWFZXOYZLBG-MFDQJXRNSA-N 0 0 218.387 2.383 10 0 BEAERN FC1(F)CCCC[C@@H]1C1N=NC(=S)N1 ZINC000307410468 352586539 /nfs/dbraw/zinc/58/65/39/352586539.db2.gz FDXOQHGRZGWVGW-RXMQYKEDSA-N 0 0 219.260 2.386 10 0 BEAERN COc1cccc(N2CCC2)c1C(C)=O ZINC000307431971 352595011 /nfs/dbraw/zinc/59/50/11/352595011.db2.gz MAVLDJGWBUNIJO-UHFFFAOYSA-N 0 0 205.257 2.108 10 0 BEAERN Cc1c(N)c(N)c(F)cc1Br ZINC000307444382 352599296 /nfs/dbraw/zinc/59/92/96/352599296.db2.gz OQBGJLJIMYZJEV-UHFFFAOYSA-N 0 0 219.057 2.061 10 0 BEAERN CC(C)[C@@H](N)c1nc(Cc2cccc(F)c2)no1 ZINC000040677319 352603845 /nfs/dbraw/zinc/60/38/45/352603845.db2.gz MTXPKXHNMFGJIV-GFCCVEGCSA-N 0 0 249.289 2.455 10 0 BEAERN Brc1ccc(CC[C@@H]2CO2)o1 ZINC000307450764 352606268 /nfs/dbraw/zinc/60/62/68/352606268.db2.gz RQURKDBYXDGRIE-SSDOTTSWSA-N 0 0 217.062 2.374 10 0 BEAERN CC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCO2 ZINC000032010235 187765716 /nfs/dbraw/zinc/76/57/16/187765716.db2.gz NOHXRDUTFCCXER-NXEZZACHSA-N 0 0 204.225 2.108 10 0 BEAERN C[C@H]1SCCC[C@@]1(O)c1ccsn1 ZINC000307471949 352613998 /nfs/dbraw/zinc/61/39/98/352613998.db2.gz QERHXYASBUPBIQ-APPZFPTMSA-N 0 0 215.343 2.246 10 0 BEAERN C[C@H]1CC[C@@H](NC(=O)C(F)(F)Cl)C1 ZINC000307465759 352615167 /nfs/dbraw/zinc/61/51/67/352615167.db2.gz AKWOGVDGHOHGJX-NTSWFWBYSA-N 0 0 211.639 2.123 10 0 BEAERN C=Cn1ncc(Br)c1Cl ZINC000090483615 187755018 /nfs/dbraw/zinc/75/50/18/187755018.db2.gz STTUZNMRNZIMAT-UHFFFAOYSA-N 0 0 207.458 2.400 10 0 BEAERN Brc1ncncc1-c1ccns1 ZINC000307393439 352569653 /nfs/dbraw/zinc/56/96/53/352569653.db2.gz LXOYDMKVIDMKNU-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN Cc1ccc(C(=O)c2ccsn2)cc1N ZINC000307470663 352617140 /nfs/dbraw/zinc/61/71/40/352617140.db2.gz QBDQOVIKMZYWHQ-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN CS[C@H]1CCCN(C(=O)C(C)C)CC1 ZINC000300810261 352575217 /nfs/dbraw/zinc/57/52/17/352575217.db2.gz HAQLZRVTWIFKAI-JTQLQIEISA-N 0 0 215.362 2.387 10 0 BEAERN CC(=O)c1nc(-c2csc(C)c2)no1 ZINC000307403706 352577686 /nfs/dbraw/zinc/57/76/86/352577686.db2.gz CAJILONIAIUBOS-UHFFFAOYSA-N 0 0 208.242 2.309 10 0 BEAERN C[C@]1(c2nnc(Br)s2)C[C@@H]1F ZINC000307404499 352580076 /nfs/dbraw/zinc/58/00/76/352580076.db2.gz CPPRJMCRNJRWPQ-DZSWIPIPSA-N 0 0 237.097 2.300 10 0 BEAERN Cc1ncc([C@@H]2N[C@H](C)CS2)s1 ZINC000307533593 352638515 /nfs/dbraw/zinc/63/85/15/352638515.db2.gz IOGXHFFFFLKDHB-SVGQVSJJSA-N 0 0 200.332 2.175 10 0 BEAERN Cc1ncc([C@H]2N[C@H](C)CS2)s1 ZINC000307533596 352638578 /nfs/dbraw/zinc/63/85/78/352638578.db2.gz IOGXHFFFFLKDHB-XRGYYRRGSA-N 0 0 200.332 2.175 10 0 BEAERN CC(=O)Nc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076033599 187790892 /nfs/dbraw/zinc/79/08/92/187790892.db2.gz HBWFISWLOMUVRN-QPUJVOFHSA-N 0 0 247.298 2.175 10 0 BEAERN C[C@@H]1CCC[C@]1(O)CNc1nsnc1Cl ZINC000307548885 352647518 /nfs/dbraw/zinc/64/75/18/352647518.db2.gz VTFHCQQIPUPPJW-MUWHJKNJSA-N 0 0 247.751 2.155 10 0 BEAERN CC1(C)CC(NC2N=NC(=S)S2)C1 ZINC000307550565 352648164 /nfs/dbraw/zinc/64/81/64/352648164.db2.gz RCXBINZJIBZDFJ-UHFFFAOYSA-N 0 0 215.347 2.427 10 0 BEAERN CCCOc1cc(NCCCOCC)ncn1 ZINC000082482299 187793461 /nfs/dbraw/zinc/79/34/61/187793461.db2.gz WEDSEMPNPIMISX-UHFFFAOYSA-N 0 0 239.319 2.104 10 0 BEAERN Cc1ccc([C@@]2(O)CCOC2(C)C)s1 ZINC000307554821 352648564 /nfs/dbraw/zinc/64/85/64/352648564.db2.gz MTRCKPGQDLXXJX-NSHDSACASA-N 0 0 212.314 2.443 10 0 BEAERN FC1(F)CC(Cn2cc[nH]c2=S)C1 ZINC000307554343 352648627 /nfs/dbraw/zinc/64/86/27/352648627.db2.gz MMAXBMCKZDWONB-UHFFFAOYSA-N 0 0 204.245 2.217 10 0 BEAERN Cc1cc(O)cc(Oc2ncns2)c1 ZINC000232399143 352650306 /nfs/dbraw/zinc/65/03/06/352650306.db2.gz PSBUBTGGVUNZGW-UHFFFAOYSA-N 0 0 208.242 2.344 10 0 BEAERN CCOC1=N[C@@H]2Cc3ccccc3[C@@H]2O1 ZINC000034101742 187766898 /nfs/dbraw/zinc/76/68/98/187766898.db2.gz IFVQHWNDNADGRU-MNOVXSKESA-N 0 0 203.241 2.075 10 0 BEAERN CC(=O)CCc1ccc2c(c1)OCCCO2 ZINC000070738833 187768771 /nfs/dbraw/zinc/76/87/71/187768771.db2.gz TZGUNWXAPIZWTE-UHFFFAOYSA-N 0 0 220.268 2.370 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N(C)CCC(C)C ZINC000037841816 187770468 /nfs/dbraw/zinc/77/04/68/187770468.db2.gz QTPNBDDIHIYCNK-UHFFFAOYSA-N 0 0 223.320 2.145 10 0 BEAERN CCC(=O)Nc1cnnc(Cl)c1Cl ZINC000307575372 352658979 /nfs/dbraw/zinc/65/89/79/352658979.db2.gz IOOJVLRNJIAYII-UHFFFAOYSA-N 0 0 220.059 2.132 10 0 BEAERN CNC(=O)c1c(Cl)cc(Cl)nc1Cl ZINC000307582960 352660716 /nfs/dbraw/zinc/66/07/16/352660716.db2.gz WZGOKAQWLHOGMF-UHFFFAOYSA-N 0 0 239.489 2.401 10 0 BEAERN O[C@H](c1cc[nH]c1)[C@@H]1CCCC1(F)F ZINC000307589140 352661497 /nfs/dbraw/zinc/66/14/97/352661497.db2.gz ZOLBDPADRLBWKL-DTWKUNHWSA-N 0 0 201.216 2.484 10 0 BEAERN Cc1cnc([C@@H]2N[C@@H](C)CS2)s1 ZINC000307595164 352665320 /nfs/dbraw/zinc/66/53/20/352665320.db2.gz JXGSQSNTMUNONR-YLWLKBPMSA-N 0 0 200.332 2.175 10 0 BEAERN C[C@H]1CCN(c2cc(N)ns2)CCS1 ZINC000307601645 352667815 /nfs/dbraw/zinc/66/78/15/352667815.db2.gz VEFOQIIPZFZSFC-ZETCQYMHSA-N 0 0 229.374 2.057 10 0 BEAERN CC1(C)CCN(C2=NC(=O)CS2)CC1 ZINC000307500345 352627371 /nfs/dbraw/zinc/62/73/71/352627371.db2.gz LZZHRVKAFPMGBE-UHFFFAOYSA-N 0 0 212.318 2.475 10 0 BEAERN CC(C)C[C@H](C)Nc1nccn(C2CC2)c1=O ZINC000061762769 187783720 /nfs/dbraw/zinc/78/37/20/187783720.db2.gz UBMWINMBNYPCMA-JTQLQIEISA-N 0 0 235.331 2.425 10 0 BEAERN Clc1nncn1C[C@@H]1CCCSC1 ZINC000307509662 352628524 /nfs/dbraw/zinc/62/85/24/352628524.db2.gz BGVTVKGIDGHCAY-ZETCQYMHSA-N 0 0 217.725 2.075 10 0 BEAERN BrC1=CCCN(Cc2ccc[nH]2)C1 ZINC000307509625 352628779 /nfs/dbraw/zinc/62/87/79/352628779.db2.gz KAFMNPRFPTVFRB-UHFFFAOYSA-N 0 0 241.132 2.499 10 0 BEAERN COc1cc(OC)cc(-c2cc(=O)cc[nH]2)c1 ZINC000065355939 187785698 /nfs/dbraw/zinc/78/56/98/187785698.db2.gz FKFYFSUWZPNDNN-UHFFFAOYSA-N 0 0 231.251 2.059 10 0 BEAERN CC(C)(C)c1ccc(-c2nsc(N)n2)nc1 ZINC000067173918 187785889 /nfs/dbraw/zinc/78/58/89/187785889.db2.gz PDPPGUBYTFUEKT-UHFFFAOYSA-N 0 0 234.328 2.480 10 0 BEAERN CON(C)C[C@H]1Cc2ccccc2S1 ZINC000307518463 352633091 /nfs/dbraw/zinc/63/30/91/352633091.db2.gz YLWQOKZIYHVRJL-SNVBAGLBSA-N 0 0 209.314 2.197 10 0 BEAERN CC[C@H](F)Cn1ccc(Br)n1 ZINC000307526965 352634948 /nfs/dbraw/zinc/63/49/48/352634948.db2.gz KCIDHOSXPZTFNZ-LURJTMIESA-N 0 0 221.073 2.394 10 0 BEAERN COc1ncc(-c2nc(C=O)cs2)s1 ZINC000307530784 352638230 /nfs/dbraw/zinc/63/82/30/352638230.db2.gz RSFGVRSTZYIOPU-UHFFFAOYSA-N 0 0 226.282 2.088 10 0 BEAERN CNc1cncc(Br)c1OC1CC1 ZINC000095728525 187800637 /nfs/dbraw/zinc/80/06/37/187800637.db2.gz VLUSBUJZYSOUQN-UHFFFAOYSA-N 0 0 243.104 2.427 10 0 BEAERN CS(C)(=O)=NCc1cnc(Cl)s1 ZINC000307621200 352691096 /nfs/dbraw/zinc/69/10/96/352691096.db2.gz BERWTWRPZCOBAU-UHFFFAOYSA-N 0 0 224.738 2.024 10 0 BEAERN CCc1nccn1-c1nncc2ccccc21 ZINC000104288439 187804830 /nfs/dbraw/zinc/80/48/30/187804830.db2.gz PWLJCBISEGRHIB-UHFFFAOYSA-N 0 0 224.267 2.378 10 0 BEAERN CC(C)[C@H](C)NC(=O)Nc1ccncc1F ZINC000124805765 187808811 /nfs/dbraw/zinc/80/88/11/187808811.db2.gz UNBNGZVZUKEBRL-QMMMGPOBSA-N 0 0 225.267 2.387 10 0 BEAERN C/C=C/CCNc1cncc(OCC)n1 ZINC000301715681 187815277 /nfs/dbraw/zinc/81/52/77/187815277.db2.gz XADWUVYLLGYFDH-HWKANZROSA-N 0 0 207.277 2.253 10 0 BEAERN O[C@@H](c1sccc1F)c1cccnc1 ZINC000307615143 352675003 /nfs/dbraw/zinc/67/50/03/352675003.db2.gz POVBFTHXQPNOHF-SECBINFHSA-N 0 0 209.245 2.364 10 0 BEAERN Brc1cnn2c1NC[C@@H]1CCC[C@@H]12 ZINC000232457966 352678473 /nfs/dbraw/zinc/67/84/73/352678473.db2.gz QZKQHTKWRGWHQG-XPUUQOCRSA-N 0 0 242.120 2.412 10 0 BEAERN CC[C@H]1CNc2cncc(Cl)c2N1C ZINC000307637204 352725837 /nfs/dbraw/zinc/72/58/37/352725837.db2.gz YEJKIBJQRWYUGV-ZETCQYMHSA-N 0 0 211.696 2.375 10 0 BEAERN [NH2+]=C(NC1CC1)c1ccc([O-])c(Cl)c1 ZINC000307649500 352740995 /nfs/dbraw/zinc/74/09/95/352740995.db2.gz IOTFOFBEAYMDIM-UHFFFAOYSA-N 0 0 210.664 2.123 10 0 BEAERN Brc1coc(CNc2c[nH]cn2)c1 ZINC000307683167 352861152 /nfs/dbraw/zinc/86/11/52/352861152.db2.gz TUZSDQXXPSQXIW-UHFFFAOYSA-N 0 0 242.076 2.377 10 0 BEAERN Cc1cnccc1-c1nnc(Br)o1 ZINC000307688846 352923230 /nfs/dbraw/zinc/92/32/30/352923230.db2.gz IOHLYBDTOIMFEQ-UHFFFAOYSA-N 0 0 240.060 2.203 10 0 BEAERN Cc1cc(Sc2nncs2)nc(Cl)n1 ZINC000052815223 352988635 /nfs/dbraw/zinc/98/86/35/352988635.db2.gz SBEFDGIUESVQOI-UHFFFAOYSA-N 0 0 244.732 2.441 10 0 BEAERN Nc1cccc(-c2csc(C=O)c2)n1 ZINC000238637019 538107119 /nfs/dbraw/zinc/10/71/19/538107119.db2.gz QCSDLYGUBIEJKD-UHFFFAOYSA-N 0 0 204.254 2.205 10 0 BEAERN Cc1csc([C@H](N)c2ncc(C)s2)n1 ZINC000306597722 353029248 /nfs/dbraw/zinc/02/92/48/353029248.db2.gz OTCZYYQQWGZGOQ-SSDOTTSWSA-N 0 0 225.342 2.265 10 0 BEAERN C/C=C/C(=O)Nc1ccnc(Br)c1 ZINC000306371687 353007536 /nfs/dbraw/zinc/00/75/36/353007536.db2.gz HHMDZFSQHDZOMM-NSCUHMNNSA-N 0 0 241.088 2.359 10 0 BEAERN Nc1cc(Cl)cc(OC(F)(F)F)c1N ZINC000307146094 353058059 /nfs/dbraw/zinc/05/80/59/353058059.db2.gz GWSDXGUEPSWXLN-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN CNC(=O)Nc1ccc(Cl)c(Cl)n1 ZINC000307155865 353058258 /nfs/dbraw/zinc/05/82/58/353058258.db2.gz FKKNCFDVUVRYAK-UHFFFAOYSA-N 0 0 220.059 2.140 10 0 BEAERN Cc1nc(Cl)c(NCCF)nc1C ZINC000307439535 353077038 /nfs/dbraw/zinc/07/70/38/353077038.db2.gz WVHKSQUSEMOWLO-UHFFFAOYSA-N 0 0 203.648 2.128 10 0 BEAERN C[C@H]1CCCC[C@H]1n1cnc(C(=O)[O-])c1 ZINC000300953407 363201789 /nfs/dbraw/zinc/20/17/89/363201789.db2.gz QATIIQQDAXQYRB-WCBMZHEXSA-N 0 0 208.261 2.333 10 0 BEAERN OCc1c(F)cc(F)cc1OC(F)F ZINC000306815115 353040987 /nfs/dbraw/zinc/04/09/87/353040987.db2.gz CQHXGBVXLLPZCW-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN NC(=O)c1c(F)c(F)ccc1C(F)F ZINC000306856867 353042819 /nfs/dbraw/zinc/04/28/19/353042819.db2.gz YPYUOHHNEPHTSA-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN Cc1c(Cl)cccc1NCC1OCCO1 ZINC000306943572 353046629 /nfs/dbraw/zinc/04/66/29/353046629.db2.gz ABJSJFKVAQWJQE-UHFFFAOYSA-N 0 0 227.691 2.433 10 0 BEAERN Cn1ccc(CC(=O)c2sccc2F)n1 ZINC000307110759 353055335 /nfs/dbraw/zinc/05/53/35/353055335.db2.gz MNRXLPNLOQOWLK-UHFFFAOYSA-N 0 0 224.260 2.046 10 0 BEAERN CC(C)(C)n1cnnc1-c1cncs1 ZINC000232526053 353107000 /nfs/dbraw/zinc/10/70/00/353107000.db2.gz AWRXLOBWPSQTNR-UHFFFAOYSA-N 0 0 208.290 2.157 10 0 BEAERN Clc1nsc(NCc2ccco2)n1 ZINC000307718823 353109497 /nfs/dbraw/zinc/10/94/97/353109497.db2.gz LZECLVMOCZGKKU-UHFFFAOYSA-N 0 0 215.665 2.397 10 0 BEAERN COC(=O)c1ccc(CNC(=O)CC(C)C)cc1 ZINC000045480133 353110414 /nfs/dbraw/zinc/11/04/14/353110414.db2.gz ACYAINHAJHEYJD-UHFFFAOYSA-N 0 0 249.310 2.136 10 0 BEAERN C[C@H]1CCC[C@@]1(O)Cc1nc(C(C)(C)C)no1 ZINC000536952536 323958850 /nfs/dbraw/zinc/95/88/50/323958850.db2.gz CUKUPIZDKDPOEW-TVQRCGJNSA-N 0 0 238.331 2.461 10 0 BEAERN Cc1nc(-c2cc(C)cnc2N)cs1 ZINC000307726007 353113402 /nfs/dbraw/zinc/11/34/02/353113402.db2.gz CKRWPLHWKWIRAZ-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1csc(C(=O)c2cnn(C)n2)c1Cl ZINC000307460648 353078167 /nfs/dbraw/zinc/07/81/67/353078167.db2.gz AWNRJCRGLNSHPW-UHFFFAOYSA-N 0 0 241.703 2.069 10 0 BEAERN COc1cc(Cl)c(C(N)=O)c(Cl)c1 ZINC000222982471 353084573 /nfs/dbraw/zinc/08/45/73/353084573.db2.gz QEXHCBVGBZYTEQ-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN CC1(C)C[C@@H]1NC(=O)C1(Br)CCC1 ZINC000307581781 353085603 /nfs/dbraw/zinc/08/56/03/353085603.db2.gz SFMLFYGDLNWFBI-ZETCQYMHSA-N 0 0 246.148 2.219 10 0 BEAERN CC(C)(C)c1cc(=O)n2c(n1)CC(C)(C)C2 ZINC000536950913 323955297 /nfs/dbraw/zinc/95/52/97/323955297.db2.gz MACBMNPXGKJXDP-UHFFFAOYSA-N 0 0 220.316 2.123 10 0 BEAERN Cc1cccc([C@H]2CNC(=O)C23CCC3)c1 ZINC000536951489 323956377 /nfs/dbraw/zinc/95/63/77/323956377.db2.gz RQWWKWBCRFJUGD-GFCCVEGCSA-N 0 0 215.296 2.379 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccncn2)C1 ZINC000307740723 353121941 /nfs/dbraw/zinc/12/19/41/353121941.db2.gz OXDDYDYQPWGAON-JTQLQIEISA-N 0 0 249.314 2.201 10 0 BEAERN Cc1cc([C@@]2(O)CS[C@@H](C)C2)sn1 ZINC000307746007 353125668 /nfs/dbraw/zinc/12/56/68/353125668.db2.gz UDKRBHHSWSHLHW-CBAPKCEASA-N 0 0 215.343 2.165 10 0 BEAERN CCCCCNC(=O)COc1ccc(C)nc1 ZINC000101540941 168705030 /nfs/dbraw/zinc/70/50/30/168705030.db2.gz AEZLGWDTYJDVEA-UHFFFAOYSA-N 0 0 236.315 2.075 10 0 BEAERN CC(C)c1ccn(-c2ccnc(Cl)n2)n1 ZINC000052884950 353127304 /nfs/dbraw/zinc/12/73/04/353127304.db2.gz MZTBDBOJBYBDLB-UHFFFAOYSA-N 0 0 222.679 2.439 10 0 BEAERN CCN(C1=NC(=O)CS1)C1CCCCC1 ZINC000307752395 353128329 /nfs/dbraw/zinc/12/83/29/353128329.db2.gz RMLMGUCIIOCWED-UHFFFAOYSA-N 0 0 226.345 2.270 10 0 BEAERN CC(C)c1nc(N)cc(-c2ccco2)n1 ZINC000044262819 167671203 /nfs/dbraw/zinc/67/12/03/167671203.db2.gz GJYFXCJQWSLGMJ-UHFFFAOYSA-N 0 0 203.245 2.442 10 0 BEAERN CCNc1cccc(Cl)c1C(N)=S ZINC000052903752 353131876 /nfs/dbraw/zinc/13/18/76/353131876.db2.gz XZQAMEYSFHVLRG-UHFFFAOYSA-N 0 0 214.721 2.406 10 0 BEAERN Cc1cc(=S)[nH]c([C@@H]2CCSC2)n1 ZINC000405184869 353139667 /nfs/dbraw/zinc/13/96/67/353139667.db2.gz HQLDDCLOLZLOAV-SSDOTTSWSA-N 0 0 212.343 2.294 10 0 BEAERN N[C@H](c1nccs1)c1ncc(Cl)s1 ZINC000223128836 353139741 /nfs/dbraw/zinc/13/97/41/353139741.db2.gz RUPSZHKZTDMDIE-RXMQYKEDSA-N 0 0 231.733 2.301 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1CCC[C@H]1CCCO ZINC000360951052 188070088 /nfs/dbraw/zinc/07/00/88/188070088.db2.gz JREGMCLBIACRLU-STQMWFEESA-N 0 0 241.375 2.432 10 0 BEAERN O=c1c(Cl)nccn1Cc1ccccc1F ZINC000165082287 353151984 /nfs/dbraw/zinc/15/19/84/353151984.db2.gz URSOZLRLNBITPO-UHFFFAOYSA-N 0 0 238.649 2.084 10 0 BEAERN O=C(CC1CCCC1)N1CCCC[C@@H](CO)C1 ZINC000378201551 188079048 /nfs/dbraw/zinc/07/90/48/188079048.db2.gz HNRJMUMCVIAWFT-CYBMUJFWSA-N 0 0 239.359 2.188 10 0 BEAERN C/C=C\C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000031418245 188081694 /nfs/dbraw/zinc/08/16/94/188081694.db2.gz UTZAFVPPWUIPBH-DBGMKRSLSA-N 0 0 245.278 2.153 10 0 BEAERN CC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1 ZINC000034286698 188082205 /nfs/dbraw/zinc/08/22/05/188082205.db2.gz YONMWXOYCWFJFH-UHFFFAOYSA-N 0 0 219.240 2.050 10 0 BEAERN CC(=O)Cc1nc(-c2ccccc2C)no1 ZINC000045895092 188085029 /nfs/dbraw/zinc/08/50/29/188085029.db2.gz ZFCKYUWMNJHERO-UHFFFAOYSA-N 0 0 216.240 2.177 10 0 BEAERN CCn1ccc(-c2ccncc2)c1C=O ZINC000536959169 323970970 /nfs/dbraw/zinc/97/09/70/323970970.db2.gz PVGJHEFDALYKPH-UHFFFAOYSA-N 0 0 200.241 2.383 10 0 BEAERN COC(OC)[C@H](CC(C)C)C(=O)C1CC1 ZINC000308940738 538109532 /nfs/dbraw/zinc/10/95/32/538109532.db2.gz RYBKEKXPNFDJPC-SNVBAGLBSA-N 0 0 214.305 2.247 10 0 BEAERN CCN(C)c1ccc(N)c2ncccc12 ZINC000035340759 188103168 /nfs/dbraw/zinc/10/31/68/188103168.db2.gz SJFRBYMFSXUQQR-UHFFFAOYSA-N 0 0 201.273 2.273 10 0 BEAERN C[C@@H]1CNc2ccc(Br)nc2O1 ZINC000261508376 188087332 /nfs/dbraw/zinc/08/73/32/188087332.db2.gz RUHCTINXSREDHC-RXMQYKEDSA-N 0 0 229.077 2.037 10 0 BEAERN CC(C)[C@H](C)NC(=O)Nc1cccc(N)c1 ZINC000020523645 188108667 /nfs/dbraw/zinc/10/86/67/188108667.db2.gz FCVJTJBHXYGDIH-VIFPVBQESA-N 0 0 221.304 2.435 10 0 BEAERN CCOC1=N[C@H](CC(C)C)C(=O)S1 ZINC000039099030 188110252 /nfs/dbraw/zinc/11/02/52/188110252.db2.gz UVTRZHAITSVOMB-SSDOTTSWSA-N 0 0 201.291 2.067 10 0 BEAERN Cc1nccn1-c1ccc2cc(N)ccc2n1 ZINC000035343720 188111765 /nfs/dbraw/zinc/11/17/65/188111765.db2.gz WJMASMUDXOAOMS-UHFFFAOYSA-N 0 0 224.267 2.311 10 0 BEAERN CCN(c1ncccc1C(N)=S)C1CCCC1 ZINC000035773116 188113005 /nfs/dbraw/zinc/11/30/05/188113005.db2.gz MZQDGZAFLBSVNF-UHFFFAOYSA-N 0 0 249.383 2.485 10 0 BEAERN Cc1c(N)cccc1C(=O)N(C)CC(C)C ZINC000037098835 188113086 /nfs/dbraw/zinc/11/30/86/188113086.db2.gz HHBPMVUDZAHMTD-UHFFFAOYSA-N 0 0 220.316 2.305 10 0 BEAERN CC(C)C[C@@H](N)c1nc(C(F)(F)F)no1 ZINC000074036509 188114807 /nfs/dbraw/zinc/11/48/07/188114807.db2.gz BLPGPRHGYXJVQS-RXMQYKEDSA-N 0 0 223.198 2.134 10 0 BEAERN CC(=O)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000037839292 188115252 /nfs/dbraw/zinc/11/52/52/188115252.db2.gz NFVHAJNHGXWROP-UHFFFAOYSA-N 0 0 245.322 2.465 10 0 BEAERN CC(C)[C@@](C)(Nc1ccc(F)cc1)C(N)=O ZINC000037942663 188115744 /nfs/dbraw/zinc/11/57/44/188115744.db2.gz PQLMFHCNSBEQLF-GFCCVEGCSA-N 0 0 224.279 2.138 10 0 BEAERN CC(C)Cc1nc(COc2cccc(N)c2)no1 ZINC000038055022 188116689 /nfs/dbraw/zinc/11/66/89/188116689.db2.gz ZIJXLQQFPKRQBN-UHFFFAOYSA-N 0 0 247.298 2.429 10 0 BEAERN CCOC(OCC)[C@@H]1CCCCC1=O ZINC000121993738 538110276 /nfs/dbraw/zinc/11/02/76/538110276.db2.gz FNJHELGECSQKGL-SECBINFHSA-N 0 0 200.278 2.145 10 0 BEAERN C/C=C(\C)C(=O)OCc1ccc2c(c1)OCO2 ZINC000038636332 188117587 /nfs/dbraw/zinc/11/75/87/188117587.db2.gz RZTAHPNFDCBEER-YCRREMRBSA-N 0 0 234.251 2.425 10 0 BEAERN C[C@@H]1CCN(C(=O)Nc2cccc(N)c2)C1 ZINC000040725388 188117754 /nfs/dbraw/zinc/11/77/54/188117754.db2.gz FRVSDORYKYVREW-SECBINFHSA-N 0 0 219.288 2.143 10 0 BEAERN CC(C)(CO)Oc1cccc(Cl)c1 ZINC000041210468 188119068 /nfs/dbraw/zinc/11/90/68/188119068.db2.gz BKCJUFUCCOPLCD-UHFFFAOYSA-N 0 0 200.665 2.490 10 0 BEAERN COC(OC)[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000122003196 538110336 /nfs/dbraw/zinc/11/03/36/538110336.db2.gz RSMLVERVKDMZOW-NXEZZACHSA-N 0 0 214.305 2.247 10 0 BEAERN CC(C)N(CCO)c1ccc2cc(N)ccc2n1 ZINC000042478905 188119211 /nfs/dbraw/zinc/11/92/11/188119211.db2.gz SNFGVPXQTFQZID-UHFFFAOYSA-N 0 0 245.326 2.024 10 0 BEAERN Cc1cc(N(C)C[C@H]2CCCO2)ccc1N ZINC000042463702 188119481 /nfs/dbraw/zinc/11/94/81/188119481.db2.gz KSVOSQYUIJDUFU-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN FC(F)(F)c1nc2c[nH]nc2c(Cl)n1 ZINC000089211947 188143971 /nfs/dbraw/zinc/14/39/71/188143971.db2.gz ZGUFDLFWGFSINK-UHFFFAOYSA-N 0 0 222.557 2.025 10 0 BEAERN COc1ccc(Cc2nnc([C@@H](C)[NH3+])s2)cc1 ZINC000088810754 188144202 /nfs/dbraw/zinc/14/42/02/188144202.db2.gz YJNNJLZQOQHJNI-MRVPVSSYSA-N 0 0 249.339 2.157 10 0 BEAERN CCCCOCc1n[nH]c2cc(N)ccc21 ZINC000089197355 188144388 /nfs/dbraw/zinc/14/43/88/188144388.db2.gz LNJGECMZRINXEC-UHFFFAOYSA-N 0 0 219.288 2.462 10 0 BEAERN FC(F)(F)CNC[C@H]1COc2ccccc2C1 ZINC000037974007 180883925 /nfs/dbraw/zinc/88/39/25/180883925.db2.gz KUESFOBBLCFWNP-VIFPVBQESA-N 0 0 245.244 2.390 10 0 BEAERN Cc1cc(C)cc(NC(=O)CC[C@@H](C)O)c1 ZINC000049818400 188125630 /nfs/dbraw/zinc/12/56/30/188125630.db2.gz RDWOTPSXLLPKBR-LLVKDONJSA-N 0 0 221.300 2.403 10 0 BEAERN CC(C)(C)c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000309283262 538111177 /nfs/dbraw/zinc/11/11/77/538111177.db2.gz KIXDFDWTINWDDH-UHFFFAOYSA-N 0 0 216.284 2.463 10 0 BEAERN Cc1nc(CN[C@@H]2CCCc3occc32)c[nH]1 ZINC000054821555 188127289 /nfs/dbraw/zinc/12/72/89/188127289.db2.gz WGDUBDXYSZMGPQ-GFCCVEGCSA-N 0 0 231.299 2.478 10 0 BEAERN CCOC(OCC)[C@@H](C)C(=O)C1CC1 ZINC000122010246 538110504 /nfs/dbraw/zinc/11/05/04/538110504.db2.gz IVMCAZMDISSKFH-QMMMGPOBSA-N 0 0 200.278 2.001 10 0 BEAERN CCc1ccc(-c2cc3c(=O)[nH]ncn3n2)cc1 ZINC000043875499 363208063 /nfs/dbraw/zinc/20/80/63/363208063.db2.gz CULOJBCVQSQHCU-UHFFFAOYSA-N 0 0 240.266 2.059 10 0 BEAERN CCCn1ccnc(NC(C2CC2)C2CC2)c1=O ZINC000061765061 188128216 /nfs/dbraw/zinc/12/82/16/188128216.db2.gz BPZDJKQQWCZEKD-UHFFFAOYSA-N 0 0 247.342 2.254 10 0 BEAERN CC(C)C[C@@H](C)Nc1nccn(C2CC2)c1=O ZINC000061762767 188128355 /nfs/dbraw/zinc/12/83/55/188128355.db2.gz UBMWINMBNYPCMA-SNVBAGLBSA-N 0 0 235.331 2.425 10 0 BEAERN CC(C)[C@H](C)Nc1ncnc(Cl)c1N ZINC000062362426 188128813 /nfs/dbraw/zinc/12/88/13/188128813.db2.gz DXMIAUWFXOCETQ-LURJTMIESA-N 0 0 214.700 2.169 10 0 BEAERN Cc1c2c(ccc1Br)COC2=O ZINC000067173527 188129024 /nfs/dbraw/zinc/12/90/24/188129024.db2.gz XCTQJVHBGWKGKS-UHFFFAOYSA-N 0 0 227.057 2.428 10 0 BEAERN CC(C)Cc1nn(C)c(Cl)c1C=O ZINC000082382383 188138842 /nfs/dbraw/zinc/13/88/42/188138842.db2.gz UBVCJOWOKAIRFV-UHFFFAOYSA-N 0 0 200.669 2.085 10 0 BEAERN CCC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405519079 538111279 /nfs/dbraw/zinc/11/12/79/538111279.db2.gz VVRDDAQAOWHFPH-ZJUUUORDSA-N 0 0 241.331 2.469 10 0 BEAERN FC(F)(F)c1cc(=S)[nH]c(=S)[nH]1 ZINC000075885157 180891539 /nfs/dbraw/zinc/89/15/39/180891539.db2.gz YBLLSNCJDXWJEZ-UHFFFAOYSA-N 0 0 212.221 2.447 10 0 BEAERN CC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C ZINC000002562262 188159035 /nfs/dbraw/zinc/15/90/35/188159035.db2.gz GCCVRCZMVYRDCO-KWQFWETISA-N 0 0 219.240 2.115 10 0 BEAERN CC(C)[C@H](O)CC(=O)N[C@H](C)c1cccs1 ZINC000178864889 188165949 /nfs/dbraw/zinc/16/59/49/188165949.db2.gz UYJOLJLTBNQUBW-NXEZZACHSA-N 0 0 241.356 2.332 10 0 BEAERN C[C@H]1C[C@H]1Nc1ccc2c(n1)CCC2=O ZINC000309108452 188166094 /nfs/dbraw/zinc/16/60/94/188166094.db2.gz IXCGGQOZALVJOF-OIBJUYFYSA-N 0 0 202.257 2.031 10 0 BEAERN CC(=O)Oc1cc2oc(=O)ccc2cc1C ZINC000014488860 188167525 /nfs/dbraw/zinc/16/75/25/188167525.db2.gz AYHSRSLMDCLHKM-UHFFFAOYSA-N 0 0 218.208 2.027 10 0 BEAERN CC(C)=CCN1CCCC[C@H]1c1nc[nH]n1 ZINC000182677326 188168693 /nfs/dbraw/zinc/16/86/93/188168693.db2.gz SXBFQBRPDLSKMK-NSHDSACASA-N 0 0 220.320 2.298 10 0 BEAERN FC(F)(F)c1ccn(-c2cccnc2)n1 ZINC000034408982 180896875 /nfs/dbraw/zinc/89/68/75/180896875.db2.gz ZRDYPNPOVQTYPW-UHFFFAOYSA-N 0 0 213.162 2.286 10 0 BEAERN CN(C)c1ccc(O)cc1Br ZINC000095711913 188146867 /nfs/dbraw/zinc/14/68/67/188146867.db2.gz HICKWKVRTAERTK-UHFFFAOYSA-N 0 0 216.078 2.221 10 0 BEAERN CSc1nccc(OC2CC2)c1N(C)C ZINC000095733747 188147002 /nfs/dbraw/zinc/14/70/02/188147002.db2.gz LRRUHVCIEHCSGA-UHFFFAOYSA-N 0 0 224.329 2.411 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000134355613 538111956 /nfs/dbraw/zinc/11/19/56/538111956.db2.gz DREGKUTYUBDUCQ-NHCYSSNCSA-N 0 0 225.332 2.152 10 0 BEAERN C1CC1c1nsc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000026171513 188180410 /nfs/dbraw/zinc/18/04/10/188180410.db2.gz XFELYAASECIJBD-SNVBAGLBSA-N 0 0 235.356 2.225 10 0 BEAERN CC(C)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032011943 188181888 /nfs/dbraw/zinc/18/18/88/188181888.db2.gz AIEPWZKYISTDMF-LBPRGKRZSA-N 0 0 208.257 2.147 10 0 BEAERN CCCCc1c(CC)[nH]c(=S)[nH]c1=O ZINC000033878091 188182265 /nfs/dbraw/zinc/18/22/65/188182265.db2.gz CVUUUVXCTJCXGC-UHFFFAOYSA-N 0 0 212.318 2.337 10 0 BEAERN Nc1ccc(S[C@H]2CCSC2)cn1 ZINC000405368788 353272564 /nfs/dbraw/zinc/27/25/64/353272564.db2.gz XXTWTZSOWAMUGX-QMMMGPOBSA-N 0 0 212.343 2.092 10 0 BEAERN FC1(F)CCCC[C@@H]1CN1CCCO1 ZINC000336283353 180916775 /nfs/dbraw/zinc/91/67/75/180916775.db2.gz FGEXKKKMPDAGLS-SECBINFHSA-N 0 0 205.248 2.449 10 0 BEAERN C[C@]1([C@H](NN)C2CCCC2)CCCS1 ZINC000127127567 353261015 /nfs/dbraw/zinc/26/10/15/353261015.db2.gz IXICWNWGFOEUJH-GHMZBOCLSA-N 0 0 214.378 2.294 10 0 BEAERN C[C@H](NN)c1cc(F)ccc1Br ZINC000127214162 353265352 /nfs/dbraw/zinc/26/53/52/353265352.db2.gz XOMPYEFQDGQGEM-YFKPBYRVSA-N 0 0 233.084 2.113 10 0 BEAERN C[C@@H](NN)c1ccc(Br)c(F)c1 ZINC000127201858 353265374 /nfs/dbraw/zinc/26/53/74/353265374.db2.gz GEAKMBCVHYFGHJ-RXMQYKEDSA-N 0 0 233.084 2.113 10 0 BEAERN CCNC(=S)N1C[C@H](C)CC[C@@H]1C ZINC000127940616 353280300 /nfs/dbraw/zinc/28/03/00/353280300.db2.gz SCLNIHMYUCQNBZ-BDAKNGLRSA-N 0 0 200.351 2.001 10 0 BEAERN C[C@@H]1CNc2cc(N)cc(Br)c2O1 ZINC000062533813 188224116 /nfs/dbraw/zinc/22/41/16/188224116.db2.gz QZJVZOYVAOGVLI-RXMQYKEDSA-N 0 0 243.104 2.224 10 0 BEAERN Cc1cnc(Cl)cc1Sc1ncnn1C ZINC000127939792 353279867 /nfs/dbraw/zinc/27/98/67/353279867.db2.gz PSKDVYDZJQDQGI-UHFFFAOYSA-N 0 0 240.719 2.323 10 0 BEAERN CN(C)c1nc(Cl)nc2ccc(O)cc21 ZINC000129288499 353309629 /nfs/dbraw/zinc/30/96/29/353309629.db2.gz COTAOYZBKXDTNZ-UHFFFAOYSA-N 0 0 223.663 2.055 10 0 BEAERN CCc1cc(NC(=O)OC(C)(C)C)n[nH]1 ZINC000129310840 353309662 /nfs/dbraw/zinc/30/96/62/353309662.db2.gz GSJVRYCCRMXNNN-UHFFFAOYSA-N 0 0 211.265 2.319 10 0 BEAERN Cc1c[nH]nc1NC(=O)OCc1ccccc1 ZINC000129319079 353309669 /nfs/dbraw/zinc/30/96/69/353309669.db2.gz FTVDCKPRBQEMRV-UHFFFAOYSA-N 0 0 231.255 2.467 10 0 BEAERN Cn1c(Cl)nc2cc(Cl)ccc2c1=O ZINC000129321530 353309970 /nfs/dbraw/zinc/30/99/70/353309970.db2.gz BXFJWJBAOMAGRZ-UHFFFAOYSA-N 0 0 229.066 2.240 10 0 BEAERN Brc1ccc([C@@H]2NCCS2)nc1 ZINC000130050376 353339077 /nfs/dbraw/zinc/33/90/77/353339077.db2.gz YNXRBQUZQUXJEK-MRVPVSSYSA-N 0 0 245.145 2.179 10 0 BEAERN CC1(C)C[C@H]1C(=O)Nc1cc(Cl)ncn1 ZINC000232774067 353393649 /nfs/dbraw/zinc/39/36/49/353393649.db2.gz AILMMLKRXXQINB-LURJTMIESA-N 0 0 225.679 2.115 10 0 BEAERN Fc1cc(OC[C@H]2CO2)ccc1Cl ZINC000075880974 180954639 /nfs/dbraw/zinc/95/46/39/180954639.db2.gz UMWOUFHXYAAMSW-ZETCQYMHSA-N 0 0 202.612 2.257 10 0 BEAERN Fc1cc(NCC2CC2)ccc1-n1cncn1 ZINC000037788085 180954831 /nfs/dbraw/zinc/95/48/31/180954831.db2.gz LEODAYPGNFYCBD-UHFFFAOYSA-N 0 0 232.262 2.228 10 0 BEAERN Fc1cc2cc[nH]c2c(Br)n1 ZINC000261506729 180956472 /nfs/dbraw/zinc/95/64/72/180956472.db2.gz ALTLKBRBJUJTHY-UHFFFAOYSA-N 0 0 215.025 2.465 10 0 BEAERN Fc1ccc(-n2cnnn2)cc1NC1CCCC1 ZINC000037773531 180960210 /nfs/dbraw/zinc/96/02/10/180960210.db2.gz QJCOMUMOYHOTRV-UHFFFAOYSA-N 0 0 247.277 2.156 10 0 BEAERN Fc1ccc(CNc2cnns2)cc1 ZINC000083345698 180970208 /nfs/dbraw/zinc/97/02/08/180970208.db2.gz HFYGEEYIQVQDLG-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN Fc1ccc(NCc2ccncn2)c(F)c1 ZINC000054788668 180978436 /nfs/dbraw/zinc/97/84/36/180978436.db2.gz RXXMEOYRWHWHQT-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN COc1ccc([C@@H](CC(=O)[O-])[NH+]2CCCC2)cc1 ZINC000006645501 188458783 /nfs/dbraw/zinc/45/87/83/188458783.db2.gz ZGIKMFWNEWMNMP-CYBMUJFWSA-N 0 0 249.310 2.307 10 0 BEAERN CC(C)N1c2ncccc2C(C)(C)C1=O ZINC000026646668 188464822 /nfs/dbraw/zinc/46/48/22/188464822.db2.gz LWBSEJMDONAAKM-UHFFFAOYSA-N 0 0 204.273 2.114 10 0 BEAERN C/C(=C\c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000042905804 188478394 /nfs/dbraw/zinc/47/83/94/188478394.db2.gz VJMAWSYXGHSWHA-VQHVLOKHSA-N 0 0 235.239 2.485 10 0 BEAERN Fc1cccc(CCNc2cccnn2)c1 ZINC000052816073 180996904 /nfs/dbraw/zinc/99/69/04/180996904.db2.gz BJYVCGPAUOEYRX-UHFFFAOYSA-N 0 0 217.247 2.270 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N(CC(C)C)C1CC1 ZINC000037841223 188470528 /nfs/dbraw/zinc/47/05/28/188470528.db2.gz LGWWMVHWRYDEEU-UHFFFAOYSA-N 0 0 235.331 2.287 10 0 BEAERN CC(C)(O)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000232554993 353733095 /nfs/dbraw/zinc/73/30/95/353733095.db2.gz KGAUYABLBZPKJX-UHFFFAOYSA-N 0 0 230.666 2.362 10 0 BEAERN CC(C)(C)Oc1ncc(N)cc1Cl ZINC000232558681 353733100 /nfs/dbraw/zinc/73/31/00/353733100.db2.gz AIZDAHJLDOUEDU-UHFFFAOYSA-N 0 0 200.669 2.495 10 0 BEAERN Nc1ccc2[nH]cc(C(=O)NCC3CCC3)c2c1 ZINC000062832467 188487374 /nfs/dbraw/zinc/48/73/74/188487374.db2.gz ZWJVUOUIRYZFMC-UHFFFAOYSA-N 0 0 243.310 2.280 10 0 BEAERN Fc1cccc(NCc2ccncn2)c1F ZINC000054789735 181001796 /nfs/dbraw/zinc/00/17/96/181001796.db2.gz YVYQICPVHUSLJK-UHFFFAOYSA-N 0 0 221.210 2.367 10 0 BEAERN NC(=S)c1ccc(NCc2nccs2)cc1 ZINC000049534746 188481283 /nfs/dbraw/zinc/48/12/83/188481283.db2.gz VMURKNZTDPPBHS-UHFFFAOYSA-N 0 0 249.364 2.389 10 0 BEAERN Fc1cccc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)n1 ZINC000302604006 181002144 /nfs/dbraw/zinc/00/21/44/181002144.db2.gz ZHEXOJACFYWNNE-AEJSXWLSSA-N 0 0 222.263 2.200 10 0 BEAERN Fc1cccc(NCc2ncc[nH]2)c1F ZINC000049715632 181002302 /nfs/dbraw/zinc/00/23/02/181002302.db2.gz BPLCWDKZHYWRLW-UHFFFAOYSA-N 0 0 209.199 2.300 10 0 BEAERN Cc1ccc(OCCn2cccn2)c([C@H](C)O)c1 ZINC000049325605 188481747 /nfs/dbraw/zinc/48/17/47/188481747.db2.gz WJPQIDYWBHBYGF-LBPRGKRZSA-N 0 0 246.310 2.324 10 0 BEAERN Cc1ccsc1-c1nc(C)cc(N)n1 ZINC000050866333 188482189 /nfs/dbraw/zinc/48/21/89/188482189.db2.gz SDXITPOUGVWTMH-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN CC(C)[C@H](C)C(=O)Nc1nccc(Cl)n1 ZINC000232703005 353759897 /nfs/dbraw/zinc/75/98/97/353759897.db2.gz CCLGKXYJKKIETH-ZETCQYMHSA-N 0 0 227.695 2.361 10 0 BEAERN OCc1cc(Cl)cc(OC(F)F)c1 ZINC000098201778 353783337 /nfs/dbraw/zinc/78/33/37/353783337.db2.gz SPDICSDVXNRHBQ-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN Fc1ccccc1C1(NCc2cncnc2)CC1 ZINC000130530108 181009947 /nfs/dbraw/zinc/00/99/47/181009947.db2.gz KFXIHISZUIUGDZ-UHFFFAOYSA-N 0 0 243.285 2.395 10 0 BEAERN CSC[C@H](C)c1nnc2cc(Cl)ncn21 ZINC000300981532 363259770 /nfs/dbraw/zinc/25/97/70/363259770.db2.gz SCFHEPNRLRVBQE-LURJTMIESA-N 0 0 242.735 2.244 10 0 BEAERN Ic1nc2ccccc2o1 ZINC000075843607 181022212 /nfs/dbraw/zinc/02/22/12/181022212.db2.gz BYGYGEQVXOGYFR-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN C[C@H]1COCC[C@]1(O)Cc1ccsc1 ZINC000300989191 363261029 /nfs/dbraw/zinc/26/10/29/363261029.db2.gz JCZIXGXYLQALHH-ONGXEEELSA-N 0 0 212.314 2.078 10 0 BEAERN CC(C)COc1ccc([C@H](C)NC(N)=O)cc1 ZINC000127759507 188511698 /nfs/dbraw/zinc/51/16/98/188511698.db2.gz USNQWMGEESIOPK-JTQLQIEISA-N 0 0 236.315 2.451 10 0 BEAERN Fc1cnc(-c2cnco2)c2[nH]ccc21 ZINC000095835513 181017140 /nfs/dbraw/zinc/01/71/40/181017140.db2.gz IOGZYEHJDURRBQ-UHFFFAOYSA-N 0 0 203.176 2.357 10 0 BEAERN Fc1c[nH]c(=S)c(Br)c1 ZINC000071186817 181018275 /nfs/dbraw/zinc/01/82/75/181018275.db2.gz GUTSOUJIEKDCPU-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN CC1(C)C[C@@H]1c1nnc2ccc(Cl)nn21 ZINC000232866334 353881210 /nfs/dbraw/zinc/88/12/10/353881210.db2.gz MROBFMCWGASJRB-ZCFIWIBFSA-N 0 0 222.679 2.291 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)CC1(C)CCCC1 ZINC000334532975 353912281 /nfs/dbraw/zinc/91/22/81/353912281.db2.gz AYZVPFAQDWCKHP-NEPJUHHUSA-N 0 0 239.359 2.329 10 0 BEAERN NCc1ncc([C@@H]2CCC(F)(F)C2)o1 ZINC000301000093 363270473 /nfs/dbraw/zinc/27/04/73/363270473.db2.gz MUSVYPZYUHECEH-ZCFIWIBFSA-N 0 0 202.204 2.036 10 0 BEAERN NCc1ncc([C@H]2CCC(F)(F)C2)o1 ZINC000301000092 363270890 /nfs/dbraw/zinc/27/08/90/363270890.db2.gz MUSVYPZYUHECEH-LURJTMIESA-N 0 0 202.204 2.036 10 0 BEAERN CC(C)(CF)Nc1ncc(Cl)cn1 ZINC000307754078 188536688 /nfs/dbraw/zinc/53/66/88/188536688.db2.gz YCXYTHOKIHSEOO-UHFFFAOYSA-N 0 0 203.648 2.290 10 0 BEAERN COc1cccc([C@@]2(O)CCSC2)c1 ZINC000084390781 259451836 /nfs/dbraw/zinc/45/18/36/259451836.db2.gz OHSJEZSGADRNCK-LLVKDONJSA-N 0 0 210.298 2.020 10 0 BEAERN CC(C)CC(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334568113 354091065 /nfs/dbraw/zinc/09/10/65/354091065.db2.gz XBCSNGCPOVPEHL-NEPJUHHUSA-N 0 0 237.343 2.060 10 0 BEAERN Cc1cn([C@@H]2CCOC[C@H]2C)c(=S)[nH]1 ZINC000301028276 363342101 /nfs/dbraw/zinc/34/21/01/363342101.db2.gz QGRBIPVSMMYLAE-VXNVDRBHSA-N 0 0 212.318 2.078 10 0 BEAERN Cc1cc2c(ccnc2NC[C@@H](C)CO)o1 ZINC000165942501 358484959 /nfs/dbraw/zinc/48/49/59/358484959.db2.gz FTPGUUWZZCXHCN-MRVPVSSYSA-N 0 0 220.272 2.177 10 0 BEAERN Cc1cccc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)n1 ZINC000334730285 354530278 /nfs/dbraw/zinc/53/02/78/354530278.db2.gz IEZKZZDJNDPPCN-OLZOCXBDSA-N 0 0 244.338 2.395 10 0 BEAERN Fc1cccnc1N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334730887 354531417 /nfs/dbraw/zinc/53/14/17/354531417.db2.gz OYORJUJQNIZUHK-PWSUYJOCSA-N 0 0 248.301 2.226 10 0 BEAERN Cc1sccc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000334742373 354546153 /nfs/dbraw/zinc/54/61/53/354546153.db2.gz FPYUUKFBOZTLFP-IUCAKERBSA-N 0 0 239.340 2.306 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1CS[C@H](C)C1 ZINC000334808883 354565401 /nfs/dbraw/zinc/56/54/01/354565401.db2.gz ZCHPRBOATPUSLE-ZJUUUORDSA-N 0 0 237.372 2.328 10 0 BEAERN Cc1cc([C@@](C)(O)[C@@H]2CCOC2)cs1 ZINC000229702164 354902935 /nfs/dbraw/zinc/90/29/35/354902935.db2.gz UVELKWSTTNIULL-KOLCDFICSA-N 0 0 212.314 2.301 10 0 BEAERN Cc1cnc([C@H](C)Nc2nnc(C)s2)o1 ZINC000235568553 363448632 /nfs/dbraw/zinc/44/86/32/363448632.db2.gz YADQVHTZHUFDQC-LURJTMIESA-N 0 0 224.289 2.316 10 0 BEAERN COc1cccc(NC[C@](C)(O)C(F)(F)F)c1 ZINC000383687810 354962141 /nfs/dbraw/zinc/96/21/41/354962141.db2.gz PZVNTHGQIUALTM-JTQLQIEISA-N 0 0 249.232 2.420 10 0 BEAERN O=C(NCc1ccccc1)N1C[C@@H]2CCC[C@@H]21 ZINC000335221582 355061917 /nfs/dbraw/zinc/06/19/17/355061917.db2.gz RADBMDJFGUMYOB-STQMWFEESA-N 0 0 230.311 2.381 10 0 BEAERN O=C(N[C@H]1CC12CCCCC2)N1CC[C@@H](F)C1 ZINC000335242593 355178285 /nfs/dbraw/zinc/17/82/85/355178285.db2.gz UFGLHRXNESFFLU-MNOVXSKESA-N 0 0 240.322 2.463 10 0 BEAERN CC(C)c1nccnc1NCC1CCC1 ZINC000413091873 191355313 /nfs/dbraw/zinc/35/53/13/191355313.db2.gz LEIXGKJOJHMVIS-UHFFFAOYSA-N 0 0 205.305 2.234 10 0 BEAERN N#[N+]CC(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000035212642 181178598 /nfs/dbraw/zinc/17/85/98/181178598.db2.gz NZJDUFUHUNDMRX-YFHOEESVSA-O 0 0 219.220 2.413 10 0 BEAERN CC(C)c1nccnc1NCc1ccccn1 ZINC000413026520 191343591 /nfs/dbraw/zinc/34/35/91/191343591.db2.gz VQSKFEQFLYKDRK-UHFFFAOYSA-N 0 0 228.299 2.029 10 0 BEAERN CC(C)c1nccnc1N(C)C[C@H]1CCC[C@@H]1O ZINC000413197960 191362671 /nfs/dbraw/zinc/36/26/71/191362671.db2.gz GVCRVTISSJEDEF-NEPJUHHUSA-N 0 0 249.358 2.197 10 0 BEAERN CCC[C@H](CNc1nccnc1C(C)C)OC ZINC000413294882 191368832 /nfs/dbraw/zinc/36/88/32/191368832.db2.gz AUZDXGKEDGGWCX-LLVKDONJSA-N 0 0 237.347 2.249 10 0 BEAERN CC(C)c1nccnc1NCCC1(CO)CC1 ZINC000413319640 191372067 /nfs/dbraw/zinc/37/20/67/191372067.db2.gz ORFHDCWWLRMXHQ-UHFFFAOYSA-N 0 0 235.331 2.175 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CC[C@H](C)O1 ZINC000413369775 191377122 /nfs/dbraw/zinc/37/71/22/191377122.db2.gz BUUTYGIPKDEENK-WDEREUQCSA-N 0 0 235.331 2.001 10 0 BEAERN OCC[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000308386123 355397298 /nfs/dbraw/zinc/39/72/98/355397298.db2.gz IWWUYJISNZDAJH-VIFPVBQESA-N 0 0 236.098 2.396 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCCn2nccc21 ZINC000335795374 355451364 /nfs/dbraw/zinc/45/13/64/355451364.db2.gz QKUJINAQHQAVJL-QWRGUYRKSA-N 0 0 233.315 2.056 10 0 BEAERN C/C(=C/C(N)=O)c1ccccc1Br ZINC000166444484 355464089 /nfs/dbraw/zinc/46/40/89/355464089.db2.gz ICZGZHIGSLVNHS-SREVYHEPSA-N 0 0 240.100 2.338 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NC1CCCC1 ZINC000126016836 324674582 /nfs/dbraw/zinc/67/45/82/324674582.db2.gz CDBZQEYERBTZHX-UHFFFAOYSA-N 0 0 225.332 2.441 10 0 BEAERN CC1(CNC(=O)N2C[C@H]3CCC[C@H]32)CCC1 ZINC000335828485 355555150 /nfs/dbraw/zinc/55/51/50/355555150.db2.gz YRMHIKZWDPEHGA-GHMZBOCLSA-N 0 0 222.332 2.371 10 0 BEAERN CC[C@@H]1CCN(c2nc(Cl)nc(Cl)n2)C1 ZINC000166491990 355570368 /nfs/dbraw/zinc/57/03/68/355570368.db2.gz VRYAQMXKFXFFPQ-ZCFIWIBFSA-N 0 0 247.129 2.415 10 0 BEAERN N=C1NC(=O)/C(=C/C=C\c2ccccc2)S1 ZINC000033394205 181206878 /nfs/dbraw/zinc/20/68/78/181206878.db2.gz WCCUQWPSOQGNOO-NIQHGUSQSA-N 0 0 230.292 2.381 10 0 BEAERN CC(C)(C)OC(=O)CC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000350731495 355751881 /nfs/dbraw/zinc/75/18/81/355751881.db2.gz ATWLDDKCAMWLGD-MNOVXSKESA-N 0 0 225.332 2.203 10 0 BEAERN FC(F)(F)C(F)(F)c1nc(Cl)no1 ZINC000129641001 355765947 /nfs/dbraw/zinc/76/59/47/355765947.db2.gz XDKPMHFNULYLLA-UHFFFAOYSA-N 0 0 222.500 2.377 10 0 BEAERN CCc1nc([C@@H]2CSCCN2)sc1C ZINC000160263955 355771196 /nfs/dbraw/zinc/77/11/96/355771196.db2.gz XZWOADYZRFOLSG-VIFPVBQESA-N 0 0 228.386 2.391 10 0 BEAERN CC[C@H]1CSC(NCc2ccco2)=[NH+]1 ZINC000035082604 355798250 /nfs/dbraw/zinc/79/82/50/355798250.db2.gz JYOOUTFXMITCMV-QMMMGPOBSA-N 0 0 210.302 2.251 10 0 BEAERN NC(=O)/C=C1\CCc2c1cc(Cl)cc2F ZINC000027409895 181211460 /nfs/dbraw/zinc/21/14/60/181211460.db2.gz YPVOFVNQHCRWNX-ZZXKWVIFSA-N 0 0 225.650 2.294 10 0 BEAERN COc1ccccc1[C@]1(O)CSC[C@H]1C ZINC000308990780 355836905 /nfs/dbraw/zinc/83/69/05/355836905.db2.gz VXKUVCGUVQPXPA-SKDRFNHKSA-N 0 0 224.325 2.266 10 0 BEAERN COc1ccc(N)c(OC)c1Br ZINC000160281916 355840418 /nfs/dbraw/zinc/84/04/18/355840418.db2.gz RIUYZPZTEOHJRU-UHFFFAOYSA-N 0 0 232.077 2.049 10 0 BEAERN COc1ccc(N)c2nccc(Cl)c12 ZINC000137407436 355857302 /nfs/dbraw/zinc/85/73/02/355857302.db2.gz CZWNYUMVEMNHNV-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@H]2CCC(=O)NC2)n1 ZINC000329592871 355932038 /nfs/dbraw/zinc/93/20/38/355932038.db2.gz UMEMEGPCTUAVCT-JGVFFNPUSA-N 0 0 235.287 2.417 10 0 BEAERN CCN1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC)C1 ZINC000389249838 355936262 /nfs/dbraw/zinc/93/62/62/355936262.db2.gz MNYVBRAUUMCRBL-CQSZACIVSA-N 0 0 248.370 2.187 10 0 BEAERN CC(C)=CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113892187 355994501 /nfs/dbraw/zinc/99/45/01/355994501.db2.gz PVDGPMZKNCFXIZ-GFCCVEGCSA-N 0 0 233.315 2.430 10 0 BEAERN NC(=O)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000020044743 181236958 /nfs/dbraw/zinc/23/69/58/181236958.db2.gz WFNRWQYDWXCYAE-UHFFFAOYSA-N 0 0 238.290 2.155 10 0 BEAERN NC(=O)C[C@H]1CCc2ccc(Cl)cc21 ZINC000041219134 181246528 /nfs/dbraw/zinc/24/65/28/181246528.db2.gz XLPJTXSMPSCMLT-MRVPVSSYSA-N 0 0 209.676 2.245 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1F)[C@@H]1CC=CCC1 ZINC000037945473 181266705 /nfs/dbraw/zinc/26/67/05/181266705.db2.gz BTETVKRLOIHAGG-MFKMUULPSA-N 0 0 248.301 2.448 10 0 BEAERN NC(=O)[C@@H](Nc1cccc(F)c1)[C@@H]1CC=CCC1 ZINC000037945061 181265834 /nfs/dbraw/zinc/26/58/34/181265834.db2.gz VAPCKQBOKAAORE-MFKMUULPSA-N 0 0 248.301 2.448 10 0 BEAERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000403192039 356392578 /nfs/dbraw/zinc/39/25/78/356392578.db2.gz WBBBCKFOGXWFBL-OJEZURLMSA-N 0 0 219.328 2.337 10 0 BEAERN O=c1cc(COCc2ccccc2)[nH]c(=S)[nH]1 ZINC000144764442 356480443 /nfs/dbraw/zinc/48/04/43/356480443.db2.gz QLGRMRFIOYIVDA-UHFFFAOYSA-N 0 0 248.307 2.149 10 0 BEAERN Cn1c(Cl)nc2c1c(N)cc1ncccc21 ZINC000022062775 356480925 /nfs/dbraw/zinc/48/09/25/356480925.db2.gz RFDQFKRUNUFNEU-UHFFFAOYSA-N 0 0 232.674 2.357 10 0 BEAERN Fc1cccc(Cl)c1NC1COC1 ZINC000160363013 356481853 /nfs/dbraw/zinc/48/18/53/356481853.db2.gz VZPHGXSDBIOONP-UHFFFAOYSA-N 0 0 201.628 2.290 10 0 BEAERN Clc1ccn2nc(Br)cc2n1 ZINC000216739237 356489050 /nfs/dbraw/zinc/48/90/50/356489050.db2.gz CENCDGBTIIPQBO-UHFFFAOYSA-N 0 0 232.468 2.145 10 0 BEAERN CC(=O)c1cccc(-c2cnc3n2CCOC3)c1 ZINC000623284345 356475334 /nfs/dbraw/zinc/47/53/34/356475334.db2.gz FMABIPGDNITICI-UHFFFAOYSA-N 0 0 242.278 2.283 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1)[C@H]1CC=CCC1 ZINC000037941939 181278413 /nfs/dbraw/zinc/27/84/13/181278413.db2.gz ZOWNLGIGTYYSCC-WCQYABFASA-N 0 0 230.311 2.309 10 0 BEAERN CCn1c(C)nnc1N1CCC[C@@H](C)[C@H]1C ZINC000336186279 134121600 /nfs/dbraw/zinc/12/16/00/134121600.db2.gz CMXTUPIKJOYPKM-NXEZZACHSA-N 0 0 222.336 2.231 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000613537569 363477931 /nfs/dbraw/zinc/47/79/31/363477931.db2.gz GQXADGLYZPDWNP-RKDXNWHRSA-N 0 0 249.339 2.407 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000613537949 363479316 /nfs/dbraw/zinc/47/93/16/363479316.db2.gz KWXGDSSSPVWHDT-MNOVXSKESA-N 0 0 243.310 2.345 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ncnc3sccc32)C1 ZINC000613538403 363479331 /nfs/dbraw/zinc/47/93/31/363479331.db2.gz SCFHVIKJOIJDST-BDAKNGLRSA-N 0 0 249.339 2.407 10 0 BEAERN CCCN1C(=S)N=NC1[C@H](C)C1CC1 ZINC000163713504 538459973 /nfs/dbraw/zinc/45/99/73/538459973.db2.gz SAZZRBJROQPFDM-SSDOTTSWSA-N 0 0 211.334 2.490 10 0 BEAERN CC(=O)[C@@H]1Cc2cccc(Cl)c2C(=O)O1 ZINC000125244211 538467470 /nfs/dbraw/zinc/46/74/70/538467470.db2.gz ZOQMRGFUUXKJPG-VIFPVBQESA-N 0 0 224.643 2.011 10 0 BEAERN NC(=O)c1cc(-c2ncccc2O)ccc1Cl ZINC000065339518 181287422 /nfs/dbraw/zinc/28/74/22/181287422.db2.gz WNODUQWFHXGPLP-UHFFFAOYSA-N 0 0 248.669 2.207 10 0 BEAERN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCC2(CC2)C1 ZINC000613602672 363533664 /nfs/dbraw/zinc/53/36/64/363533664.db2.gz JXRDYCCCFCCOPL-ZSBIGDGJSA-N 0 0 219.328 2.435 10 0 BEAERN O[C@@H]1CCCC[C@@H]1CN=c1[nH]cc(Cl)s1 ZINC000379926404 538462618 /nfs/dbraw/zinc/46/26/18/538462618.db2.gz LQFOLPRUGUGFPR-HTQZYQBOSA-N 0 0 246.763 2.181 10 0 BEAERN Cc1nc(Cl)c(C)c(OCC(F)F)n1 ZINC000130615788 363539857 /nfs/dbraw/zinc/53/98/57/363539857.db2.gz CZRFMPKAHYYUQO-UHFFFAOYSA-N 0 0 222.622 2.391 10 0 BEAERN CC(C)COCCOc1ccc(C=O)o1 ZINC000675058269 538481552 /nfs/dbraw/zinc/48/15/52/538481552.db2.gz YMSQHBSQJUAVIL-UHFFFAOYSA-N 0 0 212.245 2.144 10 0 BEAERN OC[C@H]1CC[C@H](c2ccc(F)cc2)CO1 ZINC000675058344 538481667 /nfs/dbraw/zinc/48/16/67/538481667.db2.gz AWVSHHXYPBJENP-CMPLNLGQSA-N 0 0 210.248 2.081 10 0 BEAERN Cc1ccc([C@@H]2CC[C@H](CO)OC2)cc1 ZINC000675058736 538481953 /nfs/dbraw/zinc/48/19/53/538481953.db2.gz WAEVIMRXXPBFJZ-CHWSQXEVSA-N 0 0 206.285 2.250 10 0 BEAERN CCCc1coc(C=O)c1C(=O)OCC ZINC000675051204 538474053 /nfs/dbraw/zinc/47/40/53/538474053.db2.gz DQHQRARVBFMMKS-UHFFFAOYSA-N 0 0 210.229 2.221 10 0 BEAERN CC[NH2+]Cc1occ(C(C)C)c1C(=O)[O-] ZINC000675051625 538474695 /nfs/dbraw/zinc/47/46/95/538474695.db2.gz PSUOUQRQFGTLEL-UHFFFAOYSA-N 0 0 211.261 2.211 10 0 BEAERN CC(C)(C)Cc1coc(C[NH3+])c1C(=O)[O-] ZINC000675051598 538474892 /nfs/dbraw/zinc/47/48/92/538474892.db2.gz PDGOVINKYCIWMT-UHFFFAOYSA-N 0 0 211.261 2.025 10 0 BEAERN C[C@@H]1CCC[C@H]([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)C1 ZINC000675059810 538485196 /nfs/dbraw/zinc/48/51/96/538485196.db2.gz NHAZACQNFLMRCI-KXNHARMFSA-N 0 0 225.332 2.266 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H](C2CCCCC2)C[NH2+]1 ZINC000675060156 538486239 /nfs/dbraw/zinc/48/62/39/538486239.db2.gz SNNFZXPLKYJSIO-QWRGUYRKSA-N 0 0 211.305 2.020 10 0 BEAERN Cc1cc(OCC(F)F)nc(Cl)n1 ZINC000130618308 363550711 /nfs/dbraw/zinc/55/07/11/363550711.db2.gz LZCMNBNBISSUHY-UHFFFAOYSA-N 0 0 208.595 2.082 10 0 BEAERN C[C@@H]1Cc2c[nH+]c(N)c(C(=O)[O-])c2[C@@H](C)C1 ZINC000675063807 538490429 /nfs/dbraw/zinc/49/04/29/538490429.db2.gz PDYDWIZPMAYVET-BQBZGAKWSA-N 0 0 220.272 2.048 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](C(C)=O)CO2 ZINC000675063825 538490450 /nfs/dbraw/zinc/49/04/50/538490450.db2.gz PMGBZVCPADGCKQ-LLVKDONJSA-N 0 0 220.268 2.225 10 0 BEAERN O=Cc1ccc(N2CCC(CF)CC2)o1 ZINC000675064517 538491117 /nfs/dbraw/zinc/49/11/17/538491117.db2.gz MTUGZLMMNYNJBL-UHFFFAOYSA-N 0 0 211.236 2.278 10 0 BEAERN Cn1ncc(N)c1-c1cc(Cl)cs1 ZINC000675070854 538500934 /nfs/dbraw/zinc/50/09/34/538500934.db2.gz UBGDMQVXOGQBMB-UHFFFAOYSA-N 0 0 213.693 2.384 10 0 BEAERN COc1ncccc1-c1cncc(N)c1C ZINC000675072515 538503248 /nfs/dbraw/zinc/50/32/48/538503248.db2.gz DLBGWBUIEJHYMD-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN CN(C)c1ccccc1-c1cnn2c1NCCC2 ZINC000675072849 538504242 /nfs/dbraw/zinc/50/42/42/538504242.db2.gz NSILYDWQWDAXMX-UHFFFAOYSA-N 0 0 242.326 2.432 10 0 BEAERN Clc1ncccc1-c1cnn2cccnc12 ZINC000675072746 538504320 /nfs/dbraw/zinc/50/43/20/538504320.db2.gz LFRZCXJJXSEMJV-UHFFFAOYSA-N 0 0 230.658 2.445 10 0 BEAERN O=Cc1ccc(-c2cnn3cccnc23)cc1F ZINC000675073050 538504434 /nfs/dbraw/zinc/50/44/34/538504434.db2.gz KEVWUWOBNCZZEG-UHFFFAOYSA-N 0 0 241.225 2.348 10 0 BEAERN CCc1nsc(N)c1C(=O)OC(C)(C)C ZINC000675075559 538509772 /nfs/dbraw/zinc/50/97/72/538509772.db2.gz AULANCOMVHKTFQ-UHFFFAOYSA-N 0 0 228.317 2.243 10 0 BEAERN CCCC(=O)[C@H]1Cc2cc(OC)ccc2O1 ZINC000675080405 538520663 /nfs/dbraw/zinc/52/06/63/538520663.db2.gz DJCXAWVAYWUMJJ-CYBMUJFWSA-N 0 0 220.268 2.368 10 0 BEAERN CCCC(=O)[C@@H]1Cc2cccc(OC)c2O1 ZINC000675081273 538521418 /nfs/dbraw/zinc/52/14/18/538521418.db2.gz PBJVMEMXMFGITP-LBPRGKRZSA-N 0 0 220.268 2.368 10 0 BEAERN CCCC(=O)[C@@H]1Cc2ccc(OC)cc2O1 ZINC000675081597 538522383 /nfs/dbraw/zinc/52/23/83/538522383.db2.gz UYELJEYREGQQHK-ZDUSSCGKSA-N 0 0 220.268 2.368 10 0 BEAERN COc1ccc([C@]23C[C@H](CC2)C3=O)cc1 ZINC000675081598 538522694 /nfs/dbraw/zinc/52/26/94/538522694.db2.gz UYYPNEIFJCMYDB-TVQRCGJNSA-N 0 0 202.253 2.316 10 0 BEAERN CCOC(=O)[C@@H]1OC12C[C@@H](C)C[C@H](C)C2 ZINC000084324526 538531228 /nfs/dbraw/zinc/53/12/28/538531228.db2.gz IEPDPPBQRRGFFG-GUBZILKMSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)C[C@H]1CCNc2ccccc21 ZINC000084771619 538533919 /nfs/dbraw/zinc/53/39/19/538533919.db2.gz DBRFPDFFGHMKSP-SECBINFHSA-N 0 0 205.257 2.149 10 0 BEAERN COC(=O)C[C@@H]1CCNc2cc(F)ccc21 ZINC000084782697 538534075 /nfs/dbraw/zinc/53/40/75/538534075.db2.gz PBQPJHGSUJQFOP-QMMMGPOBSA-N 0 0 223.247 2.288 10 0 BEAERN CC[C@@H]1CCC[C@]2(C1)O[C@]2(C)C(=O)OC ZINC000085658028 538543565 /nfs/dbraw/zinc/54/35/65/538543565.db2.gz RJIFMJGEEOQXCM-YUSALJHKSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C)OC12CCC(C)(C)CC2 ZINC000085657726 538543619 /nfs/dbraw/zinc/54/36/19/538543619.db2.gz CFMZIOXFLCRZSB-NSHDSACASA-N 0 0 212.289 2.287 10 0 BEAERN CC(C)(C)OC(=O)NCCC(=O)c1ccoc1 ZINC000220689185 538547019 /nfs/dbraw/zinc/54/70/19/538547019.db2.gz JMQHIHHSPKRFBX-UHFFFAOYSA-N 0 0 239.271 2.377 10 0 BEAERN C[C@@H](Nc1ncnc2nc[nH]c21)c1ccco1 ZINC000035238120 356704235 /nfs/dbraw/zinc/70/42/35/356704235.db2.gz AAYKRAHMIYMBBV-SSDOTTSWSA-N 0 0 229.243 2.119 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CCCC[C@H]2C(C)C ZINC000125955903 538526596 /nfs/dbraw/zinc/52/65/96/538526596.db2.gz KMZIADNMBYHSJL-NHCYSSNCSA-N 0 0 212.289 2.143 10 0 BEAERN O=C1COCCN1c1cccc(C(F)(F)F)c1 ZINC000090132784 538592352 /nfs/dbraw/zinc/59/23/52/538592352.db2.gz GCEZVKLMKJQRIG-UHFFFAOYSA-N 0 0 245.200 2.069 10 0 BEAERN CC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000324014691 356710993 /nfs/dbraw/zinc/71/09/93/356710993.db2.gz OROQWNYVAKANQH-USZNOCQGSA-N 0 0 207.317 2.337 10 0 BEAERN Nc1nn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000403864520 538567248 /nfs/dbraw/zinc/56/72/48/538567248.db2.gz XGKWQKBUFOEUGB-HLTSFMKQSA-N 0 0 225.723 2.385 10 0 BEAERN CC[C@@H]1CCCC[C@@]12O[C@@]2(C)C(=O)OC ZINC000227199807 538616664 /nfs/dbraw/zinc/61/66/64/538616664.db2.gz ZSCWFKBMKAYWGJ-ADEWGFFLSA-N 0 0 212.289 2.287 10 0 BEAERN CCCCN(C)C(=O)c1sccc1N ZINC000040295755 168767687 /nfs/dbraw/zinc/76/76/87/168767687.db2.gz NCVBZSKIYYPCBB-UHFFFAOYSA-N 0 0 212.318 2.202 10 0 BEAERN CC1CC(C(=O)N2CCC[C@@H](C)[C@@H]2CCO)C1 ZINC000618014543 356874497 /nfs/dbraw/zinc/87/44/97/356874497.db2.gz PECNHOHABLRGMF-KPFVRQRISA-N 0 0 239.359 2.042 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1ccccc1 ZINC000001594350 356986813 /nfs/dbraw/zinc/98/68/13/356986813.db2.gz BRFUVYUENFHUPU-UHFFFAOYSA-N 0 0 206.241 2.211 10 0 BEAERN C[C@@H]1CN(c2csc(C=O)c2)C[C@@H](C)O1 ZINC000160519187 357030855 /nfs/dbraw/zinc/03/08/55/357030855.db2.gz DIODTZJRQATIRN-RKDXNWHRSA-N 0 0 225.313 2.174 10 0 BEAERN Cc1ccc(C(=O)[C@@H](O)C(C)C)cc1F ZINC000223788463 357067825 /nfs/dbraw/zinc/06/78/25/357067825.db2.gz XHZQKTCLTZJXGX-NSHDSACASA-N 0 0 210.248 2.334 10 0 BEAERN C[C@@H](O)CCc1nc2cc(F)ccc2[nH]1 ZINC000026462101 357136135 /nfs/dbraw/zinc/13/61/35/357136135.db2.gz WTQPTKOSFPCKIH-SSDOTTSWSA-N 0 0 208.236 2.015 10 0 BEAERN C[C@@H](O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000160637244 357151520 /nfs/dbraw/zinc/15/15/20/357151520.db2.gz RURHIDHZCARLSR-GSVOUGTGSA-N 0 0 232.070 2.318 10 0 BEAERN COc1ccc(Cc2noc(Cl)n2)cc1 ZINC000053750004 357167082 /nfs/dbraw/zinc/16/70/82/357167082.db2.gz SZWPNLUEVMBZIJ-UHFFFAOYSA-N 0 0 224.647 2.322 10 0 BEAERN CSc1nnc(CNc2ccccc2)n1C ZINC000026443982 357120926 /nfs/dbraw/zinc/12/09/26/357120926.db2.gz BGWBXWVQWZJYLW-UHFFFAOYSA-N 0 0 234.328 2.149 10 0 BEAERN C[C@H]1CCN(c2cc(Br)ncn2)C1 ZINC000160604203 357121782 /nfs/dbraw/zinc/12/17/82/357121782.db2.gz RPSZKGHBUIRXKO-ZETCQYMHSA-N 0 0 242.120 2.085 10 0 BEAERN CC(C)N(C)c1nc2sccn2c1C=O ZINC000035428379 357237522 /nfs/dbraw/zinc/23/75/22/357237522.db2.gz ACABNQCXGLZVST-UHFFFAOYSA-N 0 0 223.301 2.053 10 0 BEAERN C[C@@H](O)Cc1sccc1Br ZINC000053784428 357180060 /nfs/dbraw/zinc/18/00/60/357180060.db2.gz VQBVDPGFVZXLIC-RXMQYKEDSA-N 0 0 221.119 2.434 10 0 BEAERN Cc1nc(C[C@H]2CCOC2)nc(Cl)c1F ZINC000168930417 357262597 /nfs/dbraw/zinc/26/25/97/357262597.db2.gz XBYJRABKYIPJQJ-SSDOTTSWSA-N 0 0 230.670 2.157 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@H](C)C1CCOCC1 ZINC000161640762 538831665 /nfs/dbraw/zinc/83/16/65/538831665.db2.gz GVOVGQYXCSKAQT-MNOVXSKESA-N 0 0 227.348 2.210 10 0 BEAERN CCn1ccnc1CN[C@H](C)c1ncc(C)o1 ZINC000230644589 357543435 /nfs/dbraw/zinc/54/34/35/357543435.db2.gz HYOBVCSPIRGQRN-SNVBAGLBSA-N 0 0 234.303 2.050 10 0 BEAERN CCn1ccnc1CN[C@@H](C)c1ncc(C)o1 ZINC000230644581 357543535 /nfs/dbraw/zinc/54/35/35/357543535.db2.gz HYOBVCSPIRGQRN-JTQLQIEISA-N 0 0 234.303 2.050 10 0 BEAERN CCC1(CNC(=O)[C@@H]2CCCO[C@@H]2C)CCC1 ZINC000189150226 357606689 /nfs/dbraw/zinc/60/66/89/357606689.db2.gz XYLHMILSKWUYJI-VXGBXAGGSA-N 0 0 239.359 2.498 10 0 BEAERN CCn1nccc1CN[C@@H](C)c1ncc(C)o1 ZINC000231530837 357609351 /nfs/dbraw/zinc/60/93/51/357609351.db2.gz HYXXQLSSQOOQNW-JTQLQIEISA-N 0 0 234.303 2.050 10 0 BEAERN C[C@@H](CO)[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC000132260152 325207986 /nfs/dbraw/zinc/20/79/86/325207986.db2.gz DEDRLOXIEJLZQA-NWDGAFQWSA-N 0 0 241.375 2.480 10 0 BEAERN CCOC(=O)[C@H]1CCC(=O)C[C@@H]1C(F)(F)F ZINC000685945680 538887160 /nfs/dbraw/zinc/88/71/60/538887160.db2.gz ASWATKRNDNOHEP-YUMQZZPRSA-N 0 0 238.205 2.097 10 0 BEAERN CC(C)NC(=O)c1ccc(Cl)c2c1CCO2 ZINC000685947852 538889776 /nfs/dbraw/zinc/88/97/76/538889776.db2.gz RYVRBMJNWFMDGG-UHFFFAOYSA-N 0 0 239.702 2.413 10 0 BEAERN CC(C)(C)CN1C(=S)N=NC1c1cocn1 ZINC000685950258 538893647 /nfs/dbraw/zinc/89/36/47/538893647.db2.gz VALMRMQCNLSJTI-UHFFFAOYSA-N 0 0 238.316 2.268 10 0 BEAERN S=C1N=NC(c2cocn2)N1C1CCCC1 ZINC000685950359 538893965 /nfs/dbraw/zinc/89/39/65/538893965.db2.gz YUDAYDNPWNUNDJ-UHFFFAOYSA-N 0 0 236.300 2.337 10 0 BEAERN COC(=O)[C@@H]1Cc2cc(Cl)cc(C)c2O1 ZINC000685951811 538895163 /nfs/dbraw/zinc/89/51/63/538895163.db2.gz FYEYPKJYKKKHQU-VIFPVBQESA-N 0 0 226.659 2.125 10 0 BEAERN CCOC(=O)c1n[nH]nc1[C@@H](C)[C@H](C)CC ZINC000685952926 538895513 /nfs/dbraw/zinc/89/55/13/538895513.db2.gz HENYVYZDTCBJGH-SFYZADRCSA-N 0 0 225.292 2.131 10 0 BEAERN CNc1cc(C(=O)[O-])cc(C(C)(C)C)[nH+]1 ZINC000106890236 363586776 /nfs/dbraw/zinc/58/67/76/363586776.db2.gz WWXGGTFNADYTPT-UHFFFAOYSA-N 0 0 208.261 2.119 10 0 BEAERN CC(C)N(C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000190656085 357720278 /nfs/dbraw/zinc/72/02/78/357720278.db2.gz HDRHDZIDANCRLW-NEPJUHHUSA-N 0 0 240.347 2.090 10 0 BEAERN NC(=O)c1ccc(-c2cc(Cl)cnc2N)cc1 ZINC000090495158 181292395 /nfs/dbraw/zinc/29/23/95/181292395.db2.gz WOIBWQCRQBOFED-UHFFFAOYSA-N 0 0 247.685 2.083 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H](C)C1 ZINC000190377410 357704401 /nfs/dbraw/zinc/70/44/01/357704401.db2.gz BYDSIFWCTGJWFM-UPJWGTAASA-N 0 0 239.359 2.450 10 0 BEAERN CCCCN(CC)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190435673 357708434 /nfs/dbraw/zinc/70/84/34/357708434.db2.gz GMMFQFPDFXHSKO-NEPJUHHUSA-N 0 0 227.348 2.450 10 0 BEAERN C[C@@H](NC(=O)NCc1nccs1)C(C)(C)C ZINC000112442552 357769363 /nfs/dbraw/zinc/76/93/63/357769363.db2.gz LEURHVXKUXXHRQ-MRVPVSSYSA-N 0 0 241.360 2.377 10 0 BEAERN COCCC1(CNC(=O)N[C@@H](C)C(C)C)CC1 ZINC000132881135 325250582 /nfs/dbraw/zinc/25/05/82/325250582.db2.gz NULHXFACKIKAKW-NSHDSACASA-N 0 0 242.363 2.147 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000191927583 357805152 /nfs/dbraw/zinc/80/51/52/357805152.db2.gz BNDISVYHWVRAML-SRVKXCTJSA-N 0 0 223.316 2.026 10 0 BEAERN CCONC(=O)N1CC=C(c2ccccc2)CC1 ZINC000193094774 357867079 /nfs/dbraw/zinc/86/70/79/357867079.db2.gz PRWYUMVDYSXDSB-UHFFFAOYSA-N 0 0 246.310 2.437 10 0 BEAERN O=C1NCCCC[C@H]1N1CCCc2ccccc21 ZINC000193142812 357876342 /nfs/dbraw/zinc/87/63/42/357876342.db2.gz CRHAKABKTMDFKM-CQSZACIVSA-N 0 0 244.338 2.108 10 0 BEAERN CCc1nc(CN2CC[C@@H](O)C[C@H]2C)cs1 ZINC000639940938 357957076 /nfs/dbraw/zinc/95/70/76/357957076.db2.gz PZPXEEQVTUARHP-MWLCHTKSSA-N 0 0 240.372 2.051 10 0 BEAERN CN(C)c1ccc(N)c(Br)c1 ZINC000169013318 358006134 /nfs/dbraw/zinc/00/61/34/358006134.db2.gz RVHAMISQAPJLHG-UHFFFAOYSA-N 0 0 215.094 2.097 10 0 BEAERN COc1cc(Br)ccc1C1(O)CC1 ZINC000169058658 358099036 /nfs/dbraw/zinc/09/90/36/358099036.db2.gz VVXNNDPPHZCCBF-UHFFFAOYSA-N 0 0 243.100 2.439 10 0 BEAERN CC(C)CCNc1nc(Cl)ncc1N ZINC000222210713 358158064 /nfs/dbraw/zinc/15/80/64/358158064.db2.gz AZNLWUVFVWBGQV-UHFFFAOYSA-N 0 0 214.700 2.170 10 0 BEAERN CC[C@@]1(CCC(=O)OC)CCCCC1=O ZINC000038673393 358183852 /nfs/dbraw/zinc/18/38/52/358183852.db2.gz LLCZQKCEMSNZHQ-LBPRGKRZSA-N 0 0 212.289 2.479 10 0 BEAERN Cc1[nH]c(C)c2c1C(C)(C)C[C@@]2(C)C(N)=O ZINC000039215383 358219220 /nfs/dbraw/zinc/21/92/20/358219220.db2.gz QCVBBDSNTPQCJO-CYBMUJFWSA-N 0 0 220.316 2.056 10 0 BEAERN CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172111019 134262057 /nfs/dbraw/zinc/26/20/57/134262057.db2.gz XRKZGDILZJESCV-SECBINFHSA-N 0 0 208.261 2.146 10 0 BEAERN CC(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000040441648 358236232 /nfs/dbraw/zinc/23/62/32/358236232.db2.gz IOPBLTFWPDVRNC-UHFFFAOYSA-N 0 0 204.151 2.059 10 0 BEAERN CSCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172242455 134264667 /nfs/dbraw/zinc/26/46/67/134264667.db2.gz ZJXQYBFFEVYTLF-SECBINFHSA-N 0 0 225.313 2.306 10 0 BEAERN CC(=O)Nc1ccc2[nH]c(C)c(C)c(=O)c2c1 ZINC000584590957 358249137 /nfs/dbraw/zinc/24/91/37/358249137.db2.gz BMTIBSQKORBVLV-UHFFFAOYSA-N 0 0 230.267 2.103 10 0 BEAERN COc1cccc([C@H]2CCCCNC2=O)c1 ZINC000039321742 358222162 /nfs/dbraw/zinc/22/21/62/358222162.db2.gz LDNFLWJRDDURLP-GFCCVEGCSA-N 0 0 219.284 2.079 10 0 BEAERN COc1ccc([C@H]2CCCC(=O)O2)cc1 ZINC000039319070 358222299 /nfs/dbraw/zinc/22/22/99/358222299.db2.gz FAYZDZYSVMJWAK-LLVKDONJSA-N 0 0 206.241 2.463 10 0 BEAERN CC1(C)OC(=O)O/C1=C\c1cccnc1 ZINC000584611261 358275210 /nfs/dbraw/zinc/27/52/10/358275210.db2.gz VMYQAZVNQDQCAR-TWGQIWQCSA-N 0 0 205.213 2.368 10 0 BEAERN CCOC(=O)CCC/C(C)=C(/C)CO ZINC000584611857 358275839 /nfs/dbraw/zinc/27/58/39/358275839.db2.gz NDXCUXKXNXUTTQ-KTKRTIGZSA-N 0 0 200.278 2.049 10 0 BEAERN COc1cccc2c1N(CCO)CC[C@@H]2C ZINC000584612839 358276285 /nfs/dbraw/zinc/27/62/85/358276285.db2.gz NMVBFWQHTPUMAB-JTQLQIEISA-N 0 0 221.300 2.001 10 0 BEAERN C[C@@H]1CCC(=O)N1Cc1cccc(F)c1 ZINC000584613408 358277339 /nfs/dbraw/zinc/27/73/39/358277339.db2.gz AATYEFLPWSSZDR-SECBINFHSA-N 0 0 207.248 2.337 10 0 BEAERN Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000172295631 134265180 /nfs/dbraw/zinc/26/51/80/134265180.db2.gz ODDVTIGDQKBBGQ-LLVKDONJSA-N 0 0 245.282 2.288 10 0 BEAERN CC(=O)N[C@@H]1CCCc2cc(C)c(C)cc2C1=O ZINC000584591193 358249789 /nfs/dbraw/zinc/24/97/89/358249789.db2.gz YPPXROQJPIXOSV-CQSZACIVSA-N 0 0 245.322 2.327 10 0 BEAERN Nc1cc(Cl)c(-n2nccn2)c(Cl)c1 ZINC000584592501 358250387 /nfs/dbraw/zinc/25/03/87/358250387.db2.gz GJRLQFQJWWYLIT-UHFFFAOYSA-N 0 0 229.070 2.156 10 0 BEAERN COC[C@@H](O)c1ccc(-n2cccc2)c(F)c1 ZINC000584595723 358253364 /nfs/dbraw/zinc/25/33/64/358253364.db2.gz HCEXAESRXVCINI-CYBMUJFWSA-N 0 0 235.258 2.296 10 0 BEAERN CCOC(=O)[C@@H](C)Cc1cccc(N)c1C ZINC000584596253 358253793 /nfs/dbraw/zinc/25/37/93/358253793.db2.gz JBBIGCVFSGFSQB-VIFPVBQESA-N 0 0 221.300 2.319 10 0 BEAERN COC(=O)C[C@H](C)c1cccc(N)c1C ZINC000584596290 358253825 /nfs/dbraw/zinc/25/38/25/358253825.db2.gz LXBSDLOCQLOKTR-QMMMGPOBSA-N 0 0 207.273 2.244 10 0 BEAERN CCOC(=O)[C@@H]1[C@H](C)CC(=O)[C@@H](CC)[C@H]1C ZINC000584600662 358257763 /nfs/dbraw/zinc/25/77/63/358257763.db2.gz SSSQHXJPGVBRGK-MWGHHZFTSA-N 0 0 226.316 2.437 10 0 BEAERN CCOC(=O)[C@H]1CC[C@H](c2cnccn2)CC1 ZINC000584601490 358258590 /nfs/dbraw/zinc/25/85/90/358258590.db2.gz TXUDDYZBVLLLEN-XYPYZODXSA-N 0 0 234.299 2.314 10 0 BEAERN COc1ccc(SC(C)=O)c(F)c1 ZINC000584601653 358258643 /nfs/dbraw/zinc/25/86/43/358258643.db2.gz JFQLASINMBORAD-UHFFFAOYSA-N 0 0 200.234 2.473 10 0 BEAERN CCO[C@@H](O)[C@@H]1[C@H](C)[C@@H]1Oc1ccccc1 ZINC000584601709 358258952 /nfs/dbraw/zinc/25/89/52/358258952.db2.gz AQJOHRNUQGRIQP-ZBAXXZLZSA-N 0 0 222.284 2.055 10 0 BEAERN CCOC(=O)CN(C)c1ccc(C)c(F)c1 ZINC000584603235 358261388 /nfs/dbraw/zinc/26/13/88/358261388.db2.gz ZKVZLEKLBJCJIK-UHFFFAOYSA-N 0 0 225.263 2.133 10 0 BEAERN O=C(Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)S2 ZINC000584603883 358262308 /nfs/dbraw/zinc/26/23/08/358262308.db2.gz UQOVPIVSHQLIEY-BETUJISGSA-N 0 0 247.363 2.336 10 0 BEAERN COCC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000584603594 358262555 /nfs/dbraw/zinc/26/25/55/358262555.db2.gz CEXORLQXMROJGN-UHFFFAOYSA-N 0 0 233.242 2.446 10 0 BEAERN C=Cc1cc(C(=O)OCC)ccc1OC=O ZINC000584604500 358262937 /nfs/dbraw/zinc/26/29/37/358262937.db2.gz JBFIEKLEUKITEJ-UHFFFAOYSA-N 0 0 220.224 2.042 10 0 BEAERN CC[C@H](Cc1ccc(C)c(C)c1)NC=O ZINC000584604091 358263080 /nfs/dbraw/zinc/26/30/80/358263080.db2.gz MHAOHXVDWGZYEY-CYBMUJFWSA-N 0 0 205.301 2.371 10 0 BEAERN CCOC(=O)c1oc(-c2cccnc2)nc1C ZINC000584604598 358263880 /nfs/dbraw/zinc/26/38/80/358263880.db2.gz ZNULGUZXDMXMHL-UHFFFAOYSA-N 0 0 232.239 2.222 10 0 BEAERN CCCCCc1oc(=O)ccc1C(=O)OC ZINC000584606780 358266578 /nfs/dbraw/zinc/26/65/78/358266578.db2.gz SOXJYIZIHNUQGS-UHFFFAOYSA-N 0 0 224.256 2.159 10 0 BEAERN CN1C=C[C@H](c2ccccc2)NC1=S ZINC000584607519 358267872 /nfs/dbraw/zinc/26/78/72/358267872.db2.gz MIJPXOBUGRETKI-SNVBAGLBSA-N 0 0 204.298 2.061 10 0 BEAERN CO[C@H](Nc1ccc2c(c1)OCO2)C(F)(F)F ZINC000584607916 358268400 /nfs/dbraw/zinc/26/84/00/358268400.db2.gz RKPHNYOWARPDCM-VIFPVBQESA-N 0 0 249.188 2.362 10 0 BEAERN Cc1ccccc1[S@@](=O)NC(C)(C)C ZINC000584607801 358268496 /nfs/dbraw/zinc/26/84/96/358268496.db2.gz GVDBBPUDYRMLEV-CQSZACIVSA-N 0 0 211.330 2.406 10 0 BEAERN CC(=O)Nc1c(C)cc2oc(=O)sc2c1C ZINC000584608467 358269042 /nfs/dbraw/zinc/26/90/42/358269042.db2.gz UHISZGAGHTUWOQ-UHFFFAOYSA-N 0 0 237.280 2.430 10 0 BEAERN C[C@H]1OC(=O)[C@@H]1c1ccccc1Br ZINC000584608998 358270001 /nfs/dbraw/zinc/27/00/01/358270001.db2.gz RBOBWPKPSYNOKP-MUWHJKNJSA-N 0 0 241.084 2.478 10 0 BEAERN C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CF ZINC000584609201 358270419 /nfs/dbraw/zinc/27/04/19/358270419.db2.gz UQHIHKKBKKQUNR-KWQFWETISA-N 0 0 237.230 2.065 10 0 BEAERN CCO/C=C/S(=O)(=O)c1ccc(C)cc1 ZINC000584609307 358270635 /nfs/dbraw/zinc/27/06/35/358270635.db2.gz GRFALNNPOLVOIA-CMDGGOBGSA-N 0 0 226.297 2.276 10 0 BEAERN CC(=O)NC/C=C/c1ccccc1Cl ZINC000584610114 358272460 /nfs/dbraw/zinc/27/24/60/358272460.db2.gz INSDXYRQSBQXRN-GQCTYLIASA-N 0 0 209.676 2.489 10 0 BEAERN CC(C)(C)[S@](=O)NCc1cccs1 ZINC000584610772 358274713 /nfs/dbraw/zinc/27/47/13/358274713.db2.gz HVBQYPMBCSGUIW-ZDUSSCGKSA-N 0 0 217.359 2.300 10 0 BEAERN CCOC(=O)C[C@]1(C)OC(=O)C2=C1CCCC2 ZINC000584620252 358286813 /nfs/dbraw/zinc/28/68/13/358286813.db2.gz WDWIALYLTGUGPZ-ZDUSSCGKSA-N 0 0 238.283 2.126 10 0 BEAERN CC(C)(C)n1ncc2cc(Cl)nc(CO)c21 ZINC000584619898 358286906 /nfs/dbraw/zinc/28/69/06/358286906.db2.gz UPCMFVUGNHDUFE-UHFFFAOYSA-N 0 0 239.706 2.332 10 0 BEAERN C[C@H](Cc1cccc2ccccc21)S(N)(=O)=O ZINC000584620819 358287927 /nfs/dbraw/zinc/28/79/27/358287927.db2.gz ZLBGZLXFEKHYIJ-SNVBAGLBSA-N 0 0 249.335 2.059 10 0 BEAERN COc1ccc(OC)c2c1CCC(=O)C2(C)C ZINC000584621750 358289178 /nfs/dbraw/zinc/28/91/78/358289178.db2.gz OHGJZZLQDWBMTL-UHFFFAOYSA-N 0 0 234.295 2.497 10 0 BEAERN COc1cc2c(cc1OC)[C@H](C)N(C#N)CC2 ZINC000584621635 358289609 /nfs/dbraw/zinc/28/96/09/358289609.db2.gz FZSPAVLFUJBJDD-VIFPVBQESA-N 0 0 232.283 2.104 10 0 BEAERN CC(C)Nc1nccc(-c2ccccn2)n1 ZINC000584622365 358290248 /nfs/dbraw/zinc/29/02/48/358290248.db2.gz OJQPACYLAIFHQT-UHFFFAOYSA-N 0 0 214.272 2.359 10 0 BEAERN O=c1[nH]c2cc(N3CCCCC3)ccc2c(=O)[nH]1 ZINC000584623089 358291155 /nfs/dbraw/zinc/29/11/55/358291155.db2.gz DAVILNKSPVMOTB-UHFFFAOYSA-N 0 0 245.282 2.031 10 0 BEAERN CC(=O)Oc1ccc2c(c1)[C@]1(O)CCCC[C@H]21 ZINC000584624198 358292036 /nfs/dbraw/zinc/29/20/36/358292036.db2.gz GWYRBXZWLOAEPW-OCCSQVGLSA-N 0 0 232.279 2.471 10 0 BEAERN CCO[C@@H]1C=Cc2ccc(OC)cc2O1 ZINC000584625285 358294091 /nfs/dbraw/zinc/29/40/91/358294091.db2.gz PASYLHFZNSVCQL-LBPRGKRZSA-N 0 0 206.241 2.463 10 0 BEAERN CCc1cc(NC(=O)[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC000230183001 491127950 /nfs/dbraw/zinc/12/79/50/491127950.db2.gz KRVFMURGPCTNAC-WCBMZHEXSA-N 0 0 221.304 2.347 10 0 BEAERN Cn1cnc(-c2ccc3c(c2)NC(=O)C3(C)C)c1 ZINC000584625770 358294764 /nfs/dbraw/zinc/29/47/64/358294764.db2.gz OPIUIMCTLNTJEC-UHFFFAOYSA-N 0 0 241.294 2.317 10 0 BEAERN C[C@H]1CC[C@H](C2CCCCC2)S(=O)(=O)N1 ZINC000584625625 358294838 /nfs/dbraw/zinc/29/48/38/358294838.db2.gz VRQREEQCMHWGKT-GXSJLCMTSA-N 0 0 231.361 2.037 10 0 BEAERN C[C@]1(c2ccccc2)Cn2ccnc2O1 ZINC000584625928 358295209 /nfs/dbraw/zinc/29/52/09/358295209.db2.gz JHONSHMYKHMPQU-GFCCVEGCSA-N 0 0 200.241 2.191 10 0 BEAERN CCCc1cc(=O)oc2cc(O)c(OC)cc12 ZINC000584626375 358295778 /nfs/dbraw/zinc/29/57/78/358295778.db2.gz VHZJQMADTZTUSR-UHFFFAOYSA-N 0 0 234.251 2.460 10 0 BEAERN CON1C=CCc2ccc(C)cc2C1=O ZINC000584626614 358295881 /nfs/dbraw/zinc/29/58/81/358295881.db2.gz UFBKMCQBBSYPBL-UHFFFAOYSA-N 0 0 203.241 2.068 10 0 BEAERN COc1cc2ccccc2cc1CCO ZINC000584626752 358296287 /nfs/dbraw/zinc/29/62/87/358296287.db2.gz FZRLCSSCVMPZLU-UHFFFAOYSA-N 0 0 202.253 2.383 10 0 BEAERN COC(=O)/C(C)=C/c1ccc(F)c(OC)c1 ZINC000584627602 358297407 /nfs/dbraw/zinc/29/74/07/358297407.db2.gz UEMWAIUORKOWDE-SOFGYWHQSA-N 0 0 224.231 2.411 10 0 BEAERN NNc1ccc(Oc2cc(F)ccc2F)nc1 ZINC000584649847 358304527 /nfs/dbraw/zinc/30/45/27/358304527.db2.gz QSOPNFGGDMFWOA-UHFFFAOYSA-N 0 0 237.209 2.438 10 0 BEAERN CCCCN(C)c1[nH]nc2cnccc21 ZINC000584652184 358306842 /nfs/dbraw/zinc/30/68/42/358306842.db2.gz NKBDQSXBOZYWHL-UHFFFAOYSA-N 0 0 204.277 2.194 10 0 BEAERN CCOC(=O)C=C(N)CC1CCCCC1 ZINC000584651702 358306875 /nfs/dbraw/zinc/30/68/75/358306875.db2.gz OPINPVNHMCOPTK-LUAWRHEFSA-N 0 0 211.305 2.363 10 0 BEAERN COC[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000584651703 358307105 /nfs/dbraw/zinc/30/71/05/358307105.db2.gz QRPHDKZEAVIVIW-GFCCVEGCSA-N 0 0 229.320 2.422 10 0 BEAERN CC[P@@](=O)(CCCO)c1ccccc1 ZINC000584652283 358307695 /nfs/dbraw/zinc/30/76/95/358307695.db2.gz XJKPCAKRABDNEF-CQSZACIVSA-N 0 0 212.229 2.077 10 0 BEAERN CC(C)(C)OC(=O)[C@]1(Cl)CCCC1=O ZINC000584656770 358308436 /nfs/dbraw/zinc/30/84/36/358308436.db2.gz NOAGIHODUZZBCB-JTQLQIEISA-N 0 0 218.680 2.059 10 0 BEAERN COC(=O)c1cn(CC(F)F)c2ncccc12 ZINC000584654533 358308471 /nfs/dbraw/zinc/30/84/71/358308471.db2.gz NBQLWRRBSJXLCR-UHFFFAOYSA-N 0 0 240.209 2.088 10 0 BEAERN CN(C)C(=O)OC1=CCc2ccccc21 ZINC000584618584 358284751 /nfs/dbraw/zinc/28/47/51/358284751.db2.gz OKDOVRHRZAQXEX-UHFFFAOYSA-N 0 0 203.241 2.282 10 0 BEAERN COP(=O)(N=c1[nH]c2ccccc2[nH]1)OC ZINC000584647408 358332116 /nfs/dbraw/zinc/33/21/16/358332116.db2.gz GWRVYCORGJWZNI-UHFFFAOYSA-N 0 0 241.187 2.376 10 0 BEAERN CCN1C(=O)c2ccccc2OC1(C)C ZINC000584632141 358314723 /nfs/dbraw/zinc/31/47/23/358314723.db2.gz JJZSRWWNOSGUEW-UHFFFAOYSA-N 0 0 205.257 2.277 10 0 BEAERN CN1N=C2c3ccccc3CCC[C@@H]2CC1=O ZINC000584632556 358315564 /nfs/dbraw/zinc/31/55/64/358315564.db2.gz OYUKGPREBCSXTP-LLVKDONJSA-N 0 0 228.295 2.205 10 0 BEAERN COC(=O)[C@@H](C)c1ccc(Cl)nc1OC ZINC000584633324 358317032 /nfs/dbraw/zinc/31/70/32/358317032.db2.gz CBMQAXZYSMEAKV-LURJTMIESA-N 0 0 229.663 2.020 10 0 BEAERN CCc1cc(C(=O)NC2CCC2)c(=O)[nH]c1CC ZINC000584633744 358317935 /nfs/dbraw/zinc/31/79/35/358317935.db2.gz AHRYICQOYBDWRT-UHFFFAOYSA-N 0 0 248.326 2.194 10 0 BEAERN CC1=N/C(=C/c2cccc(F)c2)C(=O)N1C ZINC000584634235 358318376 /nfs/dbraw/zinc/31/83/76/358318376.db2.gz FVZAIDOBKLLIBE-YRNVUSSQSA-N 0 0 218.231 2.057 10 0 BEAERN Nc1ncc(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 ZINC000584634299 358318517 /nfs/dbraw/zinc/31/85/17/358318517.db2.gz XBFAEJNFDQECAU-UHFFFAOYSA-N 0 0 245.326 2.063 10 0 BEAERN O=C(C[C@H](O)C(F)(F)F)c1ccsc1 ZINC000584634693 358318925 /nfs/dbraw/zinc/31/89/25/358318925.db2.gz SOUFDMATEYGUOQ-ZETCQYMHSA-N 0 0 224.203 2.244 10 0 BEAERN Cc1cnc(CCN(C)C(=O)[C@H]2C[C@H]2C)s1 ZINC000124623619 491128112 /nfs/dbraw/zinc/12/81/12/491128112.db2.gz PJZCETQAGJCAFA-SCZZXKLOSA-N 0 0 238.356 2.108 10 0 BEAERN Clc1ncnc2c1ccn2[C@H]1CCCO1 ZINC000584635930 358319907 /nfs/dbraw/zinc/31/99/07/358319907.db2.gz RIZFBRGLVSXRSH-MRVPVSSYSA-N 0 0 223.663 2.394 10 0 BEAERN CC(=O)Oc1ccc2c(c1)oc(C)c(C)c2=O ZINC000584636300 358321168 /nfs/dbraw/zinc/32/11/68/358321168.db2.gz CAIQEUMFWXSXNO-UHFFFAOYSA-N 0 0 232.235 2.335 10 0 BEAERN O=C1CC[C@@H](CF)N1c1ccccc1F ZINC000584636707 358321591 /nfs/dbraw/zinc/32/15/91/358321591.db2.gz WPHSFEBQPIWWPC-QMMMGPOBSA-N 0 0 211.211 2.291 10 0 BEAERN O=C1CC[C@H](CF)N1c1cccc(F)c1 ZINC000584636749 358321628 /nfs/dbraw/zinc/32/16/28/358321628.db2.gz ZJSKRNTTXBNBKG-SNVBAGLBSA-N 0 0 211.211 2.291 10 0 BEAERN COc1ccccc1[C@@]1(C)C=CC(=O)O1 ZINC000584637141 358322356 /nfs/dbraw/zinc/32/23/56/358322356.db2.gz GEPZYJAJIOONLV-GFCCVEGCSA-N 0 0 204.225 2.023 10 0 BEAERN COC(=O)c1cc(C(=O)OC(C)(C)C)c(C)o1 ZINC000584637052 358322359 /nfs/dbraw/zinc/32/23/59/358322359.db2.gz OCSYVHSSWDHWIR-UHFFFAOYSA-N 0 0 240.255 2.330 10 0 BEAERN OCc1nccc2c1C[C@@H](CCC1CC1)C2 ZINC000584638012 358323521 /nfs/dbraw/zinc/32/35/21/358323521.db2.gz CJPDLBKOISHFIS-NSHDSACASA-N 0 0 217.312 2.479 10 0 BEAERN O=C1CC[C@H](CF)N1c1ccc(F)cc1 ZINC000584638319 358323702 /nfs/dbraw/zinc/32/37/02/358323702.db2.gz NHIDFPIZUTVNDS-SNVBAGLBSA-N 0 0 211.211 2.291 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)[C@H](C)OC ZINC000134721766 325373340 /nfs/dbraw/zinc/37/33/40/325373340.db2.gz YKMVKSKWSDYPKT-QWRGUYRKSA-N 0 0 213.321 2.203 10 0 BEAERN COc1ccc2c(cc3cc[nH]c(=O)n32)c1 ZINC000584640212 358326441 /nfs/dbraw/zinc/32/64/41/358326441.db2.gz HJTUURXBZCNUBE-UHFFFAOYSA-N 0 0 214.224 2.202 10 0 BEAERN Nc1c2c(cc3ccc(F)cc13)COC2=O ZINC000584640684 358326790 /nfs/dbraw/zinc/32/67/90/358326790.db2.gz ISHDJVYBVSMBSA-UHFFFAOYSA-N 0 0 217.199 2.232 10 0 BEAERN CC(C)(C)c1cccc2c1OS(=O)(=O)N=C2 ZINC000584640454 358326802 /nfs/dbraw/zinc/32/68/02/358326802.db2.gz KNWKJMVZYRURQB-UHFFFAOYSA-N 0 0 239.296 2.040 10 0 BEAERN CCOC(OCC)C(=O)c1ccc(F)cc1 ZINC000043504034 358377738 /nfs/dbraw/zinc/37/77/38/358377738.db2.gz KGQYYIAMDNUJOT-UHFFFAOYSA-N 0 0 226.247 2.408 10 0 BEAERN CCc1cc(N[C@@](C)(CC)CCO)nc(C)n1 ZINC000227866866 358364465 /nfs/dbraw/zinc/36/44/65/358364465.db2.gz IDYDJPSBWUVFPM-ZDUSSCGKSA-N 0 0 237.347 2.310 10 0 BEAERN NC(=O)c1cccc2cn(-c3ccccc3)nc21 ZINC000045353541 358410740 /nfs/dbraw/zinc/41/07/40/358410740.db2.gz MWXFYWRQDSMARJ-UHFFFAOYSA-N 0 0 237.262 2.124 10 0 in-vivo BEAERN Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H]2C)c1C ZINC000230170924 358394730 /nfs/dbraw/zinc/39/47/30/358394730.db2.gz GYXBKKNIALXJTD-OIBJUYFYSA-N 0 0 221.304 2.401 10 0 BEAERN CC[C@@](C)(CCO)Nc1nc(C)cc(C)n1 ZINC000230144857 358394735 /nfs/dbraw/zinc/39/47/35/358394735.db2.gz ISCRTYJDIMDZPA-LBPRGKRZSA-N 0 0 223.320 2.056 10 0 BEAERN O=C(N[C@@H]1CC12CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000387300901 363610183 /nfs/dbraw/zinc/61/01/83/363610183.db2.gz OWXOHDAVOSSPSQ-WRWGMCAJSA-N 0 0 219.328 2.481 10 0 BEAERN Cc1ccc(-c2ncc(C=O)s2)cn1 ZINC000074205403 358424457 /nfs/dbraw/zinc/42/44/57/358424457.db2.gz AKAMEGFVBJUFTL-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN CNC(=S)Nc1ccsc1Cl ZINC000224075302 358427480 /nfs/dbraw/zinc/42/74/80/358427480.db2.gz UJULWPZFTZGARM-UHFFFAOYSA-N 0 0 206.723 2.318 10 0 BEAERN CC(C)C[C@@H](O)C(F)(F)Br ZINC000225649277 358428735 /nfs/dbraw/zinc/42/87/35/358428735.db2.gz JMAZZBWLPRBVGN-RXMQYKEDSA-N 0 0 217.053 2.381 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000300241783 358433977 /nfs/dbraw/zinc/43/39/77/358433977.db2.gz RCFGOQHYRIXELU-IJLUTSLNSA-N 0 0 239.359 2.090 10 0 BEAERN CCOC(=O)[C@@H](F)c1ccc(F)cc1 ZINC000086242861 358527529 /nfs/dbraw/zinc/52/75/29/358527529.db2.gz MXRQTJKYHFZPBG-VIFPVBQESA-N 0 0 200.184 2.399 10 0 BEAERN Cc1ccc(CN(C)CC(=O)NC(C)(C)C)cc1 ZINC000042977651 358533155 /nfs/dbraw/zinc/53/31/55/358533155.db2.gz NNEAXBOSOFSSAS-UHFFFAOYSA-N 0 0 248.370 2.342 10 0 BEAERN COCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000048411411 358633990 /nfs/dbraw/zinc/63/39/90/358633990.db2.gz FCHQKPBXQXSYSW-CQSZACIVSA-N 0 0 245.278 2.132 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(O)c2F)O1 ZINC000129609944 358589420 /nfs/dbraw/zinc/58/94/20/358589420.db2.gz LPPREUAINHVPAZ-GMSGAONNSA-N 0 0 239.246 2.037 10 0 BEAERN CCC(CC)C(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000130876073 358650674 /nfs/dbraw/zinc/65/06/74/358650674.db2.gz STQMPAHVUMUBEY-NEPJUHHUSA-N 0 0 227.348 2.232 10 0 BEAERN CCC(CC)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000130876478 358650701 /nfs/dbraw/zinc/65/07/01/358650701.db2.gz STQMPAHVUMUBEY-VXGBXAGGSA-N 0 0 227.348 2.232 10 0 BEAERN CN1CC[C@@H](CNC(=O)C2CC2)c2ccccc21 ZINC000048749845 358652782 /nfs/dbraw/zinc/65/27/82/358652782.db2.gz BFZMHQJQVYAQIJ-LBPRGKRZSA-N 0 0 244.338 2.136 10 0 BEAERN Cc1[nH]ccc1C(=O)N[C@@H]1COc2ccccc21 ZINC000175940195 134288993 /nfs/dbraw/zinc/28/89/93/134288993.db2.gz UPPVOJCYCRUGSR-GFCCVEGCSA-N 0 0 242.278 2.187 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000131026268 358658280 /nfs/dbraw/zinc/65/82/80/358658280.db2.gz AUDLYZNIOXZQSH-JBLDHEPKSA-N 0 0 237.299 2.333 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000049367911 358684633 /nfs/dbraw/zinc/68/46/33/358684633.db2.gz AWVJFMWNNKUFGY-UWVGGRQHSA-N 0 0 225.288 2.190 10 0 BEAERN Cc1ccc([C@@H]2CN(C(=O)C3CCC3)CCO2)o1 ZINC000133438025 358754484 /nfs/dbraw/zinc/75/44/84/358754484.db2.gz VESVRNYNKRKAFG-ZDUSSCGKSA-N 0 0 249.310 2.288 10 0 BEAERN CC[C@@H](C)[C@H](C)NC(=O)c1ncncc1Cl ZINC000175805750 134289112 /nfs/dbraw/zinc/28/91/12/134289112.db2.gz VCCSHADTLLFIMT-SFYZADRCSA-N 0 0 241.722 2.294 10 0 BEAERN CCCCCC(=O)NCc1cscn1 ZINC000050407962 358729126 /nfs/dbraw/zinc/72/91/26/358729126.db2.gz RCFZSCDSGNHNPF-UHFFFAOYSA-N 0 0 212.318 2.340 10 0 BEAERN Cc1ccc(CC(=O)NCc2cscn2)cc1 ZINC000050406778 358729167 /nfs/dbraw/zinc/72/91/67/358729167.db2.gz HGRGJFRIGKMTDK-UHFFFAOYSA-N 0 0 246.335 2.310 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)Cc2ccccc2O)C1 ZINC000134976861 358813767 /nfs/dbraw/zinc/81/37/67/358813767.db2.gz OWQKEWMJHMKTLX-ZDUSSCGKSA-N 0 0 247.338 2.439 10 0 BEAERN CC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000052300378 358778202 /nfs/dbraw/zinc/77/82/02/358778202.db2.gz WFEAGBHKINISIB-QPUJVOFHSA-N 0 0 232.283 2.419 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134247663 358784740 /nfs/dbraw/zinc/78/47/40/358784740.db2.gz SIZUSJXBQALHPY-VHSXEESVSA-N 0 0 235.331 2.087 10 0 BEAERN Cn1ccnc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000134295296 358785879 /nfs/dbraw/zinc/78/58/79/358785879.db2.gz ZYNLDSHQOQQFFA-CYBMUJFWSA-N 0 0 245.301 2.336 10 0 BEAERN CCC(CC)CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134286649 358785927 /nfs/dbraw/zinc/78/59/27/358785927.db2.gz JIHODSNPANNQPL-LLVKDONJSA-N 0 0 249.358 2.382 10 0 BEAERN CCC(CC)C(=O)N1CCC[C@@H]1CCCO ZINC000052758782 358792473 /nfs/dbraw/zinc/79/24/73/358792473.db2.gz NDUBPBZFHCWKAW-GFCCVEGCSA-N 0 0 227.348 2.186 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)c1ncncc1Cl ZINC000176903443 134294475 /nfs/dbraw/zinc/29/44/75/134294475.db2.gz KKSUFUXSVMUZDK-QMMMGPOBSA-N 0 0 241.722 2.152 10 0 BEAERN COc1cccc(F)c1[C@H](C)NCc1c[nH]cn1 ZINC000134774589 358805000 /nfs/dbraw/zinc/80/50/00/358805000.db2.gz BAIVKGDFSBJAOJ-VIFPVBQESA-N 0 0 249.289 2.408 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000135510332 358841992 /nfs/dbraw/zinc/84/19/92/358841992.db2.gz BSUOXOBRXWVAOI-ZJUUUORDSA-N 0 0 249.358 2.380 10 0 BEAERN CC(C)OCCC(=O)N[C@@H]1COc2ccccc21 ZINC000058729725 358913563 /nfs/dbraw/zinc/91/35/63/358913563.db2.gz QBTQPFLUOBCRQU-GFCCVEGCSA-N 0 0 249.310 2.051 10 0 BEAERN Cc1ccc(C(=O)Cc2nccn2C)s1 ZINC000160845047 358963019 /nfs/dbraw/zinc/96/30/19/358963019.db2.gz LMHWJCIDNSXRFS-UHFFFAOYSA-N 0 0 220.297 2.215 10 0 BEAERN CCN(OC)c1cccc(Br)c1N ZINC000306161543 358967047 /nfs/dbraw/zinc/96/70/47/358967047.db2.gz NBUVPNFMDWMULG-UHFFFAOYSA-N 0 0 245.120 2.419 10 0 BEAERN CNC(=O)Nc1c(F)cc(F)cc1Cl ZINC000160860206 358970676 /nfs/dbraw/zinc/97/06/76/358970676.db2.gz SJDXRXONOUGAKP-UHFFFAOYSA-N 0 0 220.606 2.370 10 0 BEAERN C[C@@H](CO)Nc1nc(Cl)ccc1Cl ZINC000306162565 358972203 /nfs/dbraw/zinc/97/22/03/358972203.db2.gz HAFKNQQHAMUPOQ-YFKPBYRVSA-N 0 0 221.087 2.181 10 0 BEAERN Nc1ccc2sc(NC3CC3)nc2c1 ZINC000306163399 358972355 /nfs/dbraw/zinc/97/23/55/358972355.db2.gz HQKLIIOTRDNFGT-UHFFFAOYSA-N 0 0 205.286 2.453 10 0 BEAERN CN(C)c1ccccc1NCc1nccn1C ZINC000060392868 358924913 /nfs/dbraw/zinc/92/49/13/358924913.db2.gz GKNVEYFVDWSVFQ-UHFFFAOYSA-N 0 0 230.315 2.098 10 0 BEAERN Cc1cc(Br)cnc1N1CCC1 ZINC000306168143 358976773 /nfs/dbraw/zinc/97/67/73/358976773.db2.gz RFNADHZPIYLSHS-UHFFFAOYSA-N 0 0 227.105 2.363 10 0 BEAERN CC[C@]1(Nc2cc(Cl)ncn2)CCOC1 ZINC000306154401 358940418 /nfs/dbraw/zinc/94/04/18/358940418.db2.gz BOLTUCQEYSADCM-JTQLQIEISA-N 0 0 227.695 2.111 10 0 BEAERN C/C(=C/c1ccc(Br)cn1)CO ZINC000130202689 358950635 /nfs/dbraw/zinc/95/06/35/358950635.db2.gz SBTKAIZJESRLEU-DAXSKMNVSA-N 0 0 228.089 2.240 10 0 BEAERN CC[C@@H](Nc1ncnc2n[nH]cc21)C(C)C ZINC000066388071 359020416 /nfs/dbraw/zinc/02/04/16/359020416.db2.gz DNJSJTGSYOZMOY-SECBINFHSA-N 0 0 219.292 2.199 10 0 BEAERN Cc1noc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC000300451724 359022538 /nfs/dbraw/zinc/02/25/38/359022538.db2.gz CSXANVSEPRVCMF-ILWJIGKKSA-N 0 0 220.272 2.276 10 0 BEAERN Clc1cc(OC[C@@H]2CCCO2)nc(Cl)n1 ZINC000306199967 359027595 /nfs/dbraw/zinc/02/75/95/359027595.db2.gz SHRQZFFKBXFYOT-LURJTMIESA-N 0 0 249.097 2.341 10 0 BEAERN c1ccc(CN[C@@H]2COc3ccccc32)nc1 ZINC000070070249 359040304 /nfs/dbraw/zinc/04/03/04/359040304.db2.gz CIZCGFSATCCSSG-CYBMUJFWSA-N 0 0 226.279 2.305 10 0 BEAERN CC1(c2onc(N)c2Br)CC1 ZINC000306179063 358991699 /nfs/dbraw/zinc/99/16/99/358991699.db2.gz UJPRKRKCQBPZBV-UHFFFAOYSA-N 0 0 217.066 2.071 10 0 BEAERN COc1cnc(CC(C)C)nc1Cl ZINC000306186219 359001795 /nfs/dbraw/zinc/00/17/95/359001795.db2.gz ABMJXAVQFIGJNE-UHFFFAOYSA-N 0 0 200.669 2.337 10 0 BEAERN C[C@H](CCO)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246468287 359108793 /nfs/dbraw/zinc/10/87/93/359108793.db2.gz PUZWZAGWRBQUQN-KGYLQXTDSA-N 0 0 239.359 2.090 10 0 BEAERN Cc1cnc(N[C@@H]2COc3ccccc32)nc1 ZINC000070530289 359058824 /nfs/dbraw/zinc/05/88/24/359058824.db2.gz GHDIIRBQFFOSFR-LLVKDONJSA-N 0 0 227.267 2.331 10 0 BEAERN CCn1cc(C(=O)N[C@H](C)c2ccc(C)o2)cn1 ZINC000074693013 359124957 /nfs/dbraw/zinc/12/49/57/359124957.db2.gz HQXMVJUSJYMLRT-SNVBAGLBSA-N 0 0 247.298 2.295 10 0 BEAERN C[C@H](Nc1cccc(C(N)=O)c1)[C@H]1C[C@H]1C ZINC000322002425 259483402 /nfs/dbraw/zinc/48/34/02/259483402.db2.gz HBYGUCVZMZMCDL-PTRXPTGYSA-N 0 0 218.300 2.242 10 0 BEAERN O=C(C[C@@H]1C=CCC1)NC[C@H]1CCCC[C@H]1O ZINC000247090239 359193626 /nfs/dbraw/zinc/19/36/26/359193626.db2.gz UHMZIZMGGZFMKJ-JHJVBQTASA-N 0 0 237.343 2.010 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000246744274 359160999 /nfs/dbraw/zinc/16/09/99/359160999.db2.gz FNOSJRAFCMBSKH-NDBYEHHHSA-N 0 0 239.359 2.496 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000247324239 359212473 /nfs/dbraw/zinc/21/24/73/359212473.db2.gz ITYGCAQTEMVMEU-TUAOUCFPSA-N 0 0 249.310 2.275 10 0 BEAERN C[C@@H](F)CCn1ccc(Br)n1 ZINC000306205527 359297128 /nfs/dbraw/zinc/29/71/28/359297128.db2.gz YMIKZSAYFWEQAW-ZCFIWIBFSA-N 0 0 221.073 2.394 10 0 BEAERN Cc1nc(C[C@@H](O)C(C)(F)F)cs1 ZINC000306207162 359299047 /nfs/dbraw/zinc/29/90/47/359299047.db2.gz QREDOZVPKUUSDW-SSDOTTSWSA-N 0 0 207.245 2.010 10 0 BEAERN Brc1cc(CC[C@H]2CO2)co1 ZINC000306213596 359307392 /nfs/dbraw/zinc/30/73/92/359307392.db2.gz UXYRTWAXBZWZLF-ZETCQYMHSA-N 0 0 217.062 2.374 10 0 BEAERN C[C@H]1CC[C@@H]1Nc1nsnc1Cl ZINC000306273871 359504923 /nfs/dbraw/zinc/50/49/23/359504923.db2.gz AFEXTPZJFPQIKM-WHFBIAKZSA-N 0 0 203.698 2.402 10 0 BEAERN O=C(C1=CC(=S)CS1)N1CC=CC1 ZINC000306276261 359507031 /nfs/dbraw/zinc/50/70/31/359507031.db2.gz LUDQUHDPBLPIHR-UHFFFAOYSA-N 0 0 211.311 2.049 10 0 BEAERN N[C@H](c1cscn1)c1ccc(Cl)o1 ZINC000306283683 359516836 /nfs/dbraw/zinc/51/68/36/359516836.db2.gz CITFJXKEVJSFBW-MRVPVSSYSA-N 0 0 214.677 2.438 10 0 BEAERN C[C@@H](CO)Sc1ncccc1Cl ZINC000160954627 359563104 /nfs/dbraw/zinc/56/31/04/359563104.db2.gz LVSLYFYUOPCFQX-LURJTMIESA-N 0 0 203.694 2.208 10 0 BEAERN Fc1ccc(=S)[nH]c1Br ZINC000306315747 359596549 /nfs/dbraw/zinc/59/65/49/359596549.db2.gz XMQQOYUWZDSZFM-UHFFFAOYSA-N 0 0 208.055 2.272 10 0 BEAERN C[C@@H]1Oc2c(cc(Cl)cc2F)C1=O ZINC000306325532 359608637 /nfs/dbraw/zinc/60/86/37/359608637.db2.gz HQTFBKMCPPVCCD-BYPYZUCNSA-N 0 0 200.596 2.443 10 0 BEAERN COc1cc(N)ccc1-c1cncnc1C ZINC000169168185 359622022 /nfs/dbraw/zinc/62/20/22/359622022.db2.gz FUAWRXNPYVYQCI-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN c1nnsc1NC[C@H]1CCCSC1 ZINC000306333997 359637213 /nfs/dbraw/zinc/63/72/13/359637213.db2.gz TWVOFLLOKDCKDV-SSDOTTSWSA-N 0 0 215.347 2.093 10 0 BEAERN Cc1cc(SC2COC2)c(F)cc1N ZINC000306340190 359643678 /nfs/dbraw/zinc/64/36/78/359643678.db2.gz KUTHWEUJZQJUMA-UHFFFAOYSA-N 0 0 213.277 2.207 10 0 BEAERN COC(=O)[C@H](C)c1cccc(F)c1F ZINC000069640306 359689930 /nfs/dbraw/zinc/68/99/30/359689930.db2.gz CNTAAFCTRKNWTO-ZCFIWIBFSA-N 0 0 200.184 2.241 10 0 BEAERN Cc1cc2[nH]c(CO)nc2cc1Br ZINC000306376792 359714015 /nfs/dbraw/zinc/71/40/15/359714015.db2.gz WNFBPLHSBOUDOO-UHFFFAOYSA-N 0 0 241.088 2.126 10 0 BEAERN Cc1ccc(Br)cc1ON ZINC000306392228 359757827 /nfs/dbraw/zinc/75/78/27/359757827.db2.gz HRXLWQQPBHDRID-UHFFFAOYSA-N 0 0 202.051 2.010 10 0 BEAERN NNc1cccc(OC(F)(F)F)c1F ZINC000306409680 359799739 /nfs/dbraw/zinc/79/97/39/359799739.db2.gz PLCKDDFROKKLEQ-UHFFFAOYSA-N 0 0 210.130 2.010 10 0 BEAERN OCCc1csc(Br)c1 ZINC000084285338 359808298 /nfs/dbraw/zinc/80/82/98/359808298.db2.gz MDPDGARUUBVGBH-UHFFFAOYSA-N 0 0 207.092 2.045 10 0 BEAERN CCCc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000117521260 359839026 /nfs/dbraw/zinc/83/90/26/359839026.db2.gz GLFMAFIHYMNSRK-UHFFFAOYSA-N 0 0 218.256 2.302 10 0 BEAERN COC(=O)Cc1ccc(OC(F)F)cc1F ZINC000380900828 359841958 /nfs/dbraw/zinc/84/19/58/359841958.db2.gz XBOLUJLNDPQIDD-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN CSc1noc([C@@H]2CCCCO2)n1 ZINC000306428837 359880630 /nfs/dbraw/zinc/88/06/30/359880630.db2.gz AIHYDAZRRYXKMS-LURJTMIESA-N 0 0 200.263 2.033 10 0 BEAERN Cc1ncc(N[C@@H]2CCSC2)nc1C ZINC000231357828 359905777 /nfs/dbraw/zinc/90/57/77/359905777.db2.gz JDLOZZSBHRJEDA-SECBINFHSA-N 0 0 209.318 2.011 10 0 BEAERN C[C@H]1CCN(c2ccc(C=O)cc2F)C1 ZINC000040718546 359909779 /nfs/dbraw/zinc/90/97/79/359909779.db2.gz LNSSNQKRDRISPI-VIFPVBQESA-N 0 0 207.248 2.484 10 0 BEAERN CCc1cc(NCC[C@@H]2CCCO2)nc(C)n1 ZINC000088058378 359933799 /nfs/dbraw/zinc/93/37/99/359933799.db2.gz GFBFXUHWXCPWGF-LBPRGKRZSA-N 0 0 235.331 2.328 10 0 BEAERN Cc1ccc(NCCO)c(F)c1Cl ZINC000306442543 360012303 /nfs/dbraw/zinc/01/23/03/360012303.db2.gz LAXYQFJNFCMXDE-UHFFFAOYSA-N 0 0 203.644 2.192 10 0 BEAERN C[C@H]1C[C@@H]([NH3+])c2c1c(F)ccc2C(=O)[O-] ZINC000536960500 360014307 /nfs/dbraw/zinc/01/43/07/360014307.db2.gz PVEJLBFTXRTXBA-YLWLKBPMSA-N 0 0 209.220 2.031 10 0 BEAERN C[C@H]1CCN(C2=NC(=O)CS2)C[C@H]1C ZINC000306449882 360018676 /nfs/dbraw/zinc/01/86/76/360018676.db2.gz YMWCTIXHKYLMDK-JGVFFNPUSA-N 0 0 212.318 2.331 10 0 BEAERN C[C@@H](CO)Cc1cc(F)cc(F)c1F ZINC000306450553 360021081 /nfs/dbraw/zinc/02/10/81/360021081.db2.gz CQRFQWJSDKJABL-ZCFIWIBFSA-N 0 0 204.191 2.275 10 0 BEAERN C[C@@H]1CCN(c2nsnc2Cl)C1 ZINC000040726214 360032324 /nfs/dbraw/zinc/03/23/24/360032324.db2.gz UYMMJPLEYCJXSP-RXMQYKEDSA-N 0 0 203.698 2.038 10 0 BEAERN C[C@H]1CCN(c2nsnc2Cl)C1 ZINC000040726216 360032559 /nfs/dbraw/zinc/03/25/59/360032559.db2.gz UYMMJPLEYCJXSP-YFKPBYRVSA-N 0 0 203.698 2.038 10 0 BEAERN CC[C@@H](C)[C@H](O)c1ncncc1Br ZINC000306455897 360045897 /nfs/dbraw/zinc/04/58/97/360045897.db2.gz QHVPITUZHUUWQA-MUWHJKNJSA-N 0 0 245.120 2.319 10 0 BEAERN O=C(NC[C@H]1CCC[C@H]1O)C1CCCCCC1 ZINC000089151638 359994249 /nfs/dbraw/zinc/99/42/49/359994249.db2.gz NGKGJBRSRHNKLV-CHWSQXEVSA-N 0 0 239.359 2.234 10 0 BEAERN O=C(CCC1CCCC1)NC[C@@H]1CCC[C@@H]1O ZINC000089163334 359996820 /nfs/dbraw/zinc/99/68/20/359996820.db2.gz ISLUWYFSXLCCBE-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN Cn1c(C2CC2)c2cn[nH]c(=O)c2c1C1CC1 ZINC000536956765 360007608 /nfs/dbraw/zinc/00/76/08/360007608.db2.gz AIBOVRMFNMSZFU-UHFFFAOYSA-N 0 0 229.283 2.429 10 0 BEAERN CC(C)c1noc(C[C@@]2(O)CCC[C@@H]2C)n1 ZINC000536956608 360007620 /nfs/dbraw/zinc/00/76/20/360007620.db2.gz ZYPJGMMJKRALOF-CABZTGNLSA-N 0 0 224.304 2.287 10 0 BEAERN CC(C)c1noc(C[C@]2(O)CCC[C@H]2C)n1 ZINC000536956605 360007624 /nfs/dbraw/zinc/00/76/24/360007624.db2.gz ZYPJGMMJKRALOF-BXKDBHETSA-N 0 0 224.304 2.287 10 0 BEAERN CCc1nccn1C[C@H]1Cc2ccccc2O1 ZINC000090877599 360092803 /nfs/dbraw/zinc/09/28/03/360092803.db2.gz ROXRLNQXZBIIDQ-GFCCVEGCSA-N 0 0 228.295 2.449 10 0 BEAERN Cn1nc(-c2csc(Cl)c2)[nH]c1=S ZINC000306472170 360100712 /nfs/dbraw/zinc/10/07/12/360100712.db2.gz JXBPXVASKWLXDS-UHFFFAOYSA-N 0 0 231.733 2.486 10 0 BEAERN CC1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)C1 ZINC000306461608 360071400 /nfs/dbraw/zinc/07/14/00/360071400.db2.gz GCKJYSYKISAFTG-MRVPVSSYSA-N 0 0 222.115 2.049 10 0 BEAERN C[C@@H]1C[C@](O)(C(F)(F)Br)[C@H]1C ZINC000306463199 360074816 /nfs/dbraw/zinc/07/48/16/360074816.db2.gz LCVIASHOVDWPDW-NGJCXOISSA-N 0 0 229.064 2.381 10 0 BEAERN Cc1occc1Cn1ncc(Cl)c1N ZINC000306466004 360079491 /nfs/dbraw/zinc/07/94/91/360079491.db2.gz FMUAIPGOHPNRDV-UHFFFAOYSA-N 0 0 211.652 2.068 10 0 BEAERN O=C([O-])[C@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000306467275 360080700 /nfs/dbraw/zinc/08/07/00/360080700.db2.gz MBBYCUXFIPWSQX-SNVBAGLBSA-N 0 0 245.731 2.151 10 0 BEAERN CC1(C[C@@H](O)[C@@H]2CSCCO2)CCC1 ZINC000306469315 360081636 /nfs/dbraw/zinc/08/16/36/360081636.db2.gz PEOVWZRFQLLICD-ZJUUUORDSA-N 0 0 216.346 2.060 10 0 BEAERN COc1cc(N[C@@H]2COc3ccccc32)ncn1 ZINC000090790509 360089366 /nfs/dbraw/zinc/08/93/66/360089366.db2.gz AOCXDSFRBLBEKB-SNVBAGLBSA-N 0 0 243.266 2.031 10 0 BEAERN CC1CC(NC(=O)C2(Br)CCC2)C1 ZINC000306481571 360142635 /nfs/dbraw/zinc/14/26/35/360142635.db2.gz LQPXGCCQHMXERN-UHFFFAOYSA-N 0 0 246.148 2.219 10 0 BEAERN Cc1oncc1[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000306476099 360110504 /nfs/dbraw/zinc/11/05/04/360110504.db2.gz XPFYGTRLNZHICX-IONNQARKSA-N 0 0 212.318 2.139 10 0 BEAERN CCNc1cccc(Br)c1N ZINC000306474369 360111627 /nfs/dbraw/zinc/11/16/27/360111627.db2.gz VSXYPQRNKDEHOQ-UHFFFAOYSA-N 0 0 215.094 2.463 10 0 BEAERN CCN(CC)c1nc(C)ncc1Br ZINC000306488238 360165956 /nfs/dbraw/zinc/16/59/56/360165956.db2.gz JUXWFWZYEHRRJH-UHFFFAOYSA-N 0 0 244.136 2.394 10 0 BEAERN C[C@H]1SCC[C@@H]1n1cc[nH]c1=S ZINC000306491151 360206291 /nfs/dbraw/zinc/20/62/91/360206291.db2.gz KSMZWWMAMNQWTJ-RQJHMYQMSA-N 0 0 200.332 2.238 10 0 BEAERN C[C@H](CF)NC(=O)Nc1cccs1 ZINC000306491593 360208855 /nfs/dbraw/zinc/20/88/55/360208855.db2.gz WDEQYNTZOQZWJT-ZCFIWIBFSA-N 0 0 202.254 2.228 10 0 BEAERN Cc1c(CNc2ccccc2N(C)C)cnn1C ZINC000093649775 360266533 /nfs/dbraw/zinc/26/65/33/360266533.db2.gz FMESBWFUCKHYDN-UHFFFAOYSA-N 0 0 244.342 2.407 10 0 BEAERN CCN1CC(=O)Nc2ccc(Cl)cc21 ZINC000228431414 360286237 /nfs/dbraw/zinc/28/62/37/360286237.db2.gz XYMKHHWRIKUFOH-UHFFFAOYSA-N 0 0 210.664 2.118 10 0 BEAERN CC(C)(CN1CN=NC1=S)C1CCC1 ZINC000306523499 360360828 /nfs/dbraw/zinc/36/08/28/360360828.db2.gz SRPADTPCKNXXIQ-UHFFFAOYSA-N 0 0 211.334 2.393 10 0 BEAERN C[C@@H]1CCCC[C@]1(C)N1CN=NC1=S ZINC000306536037 360400222 /nfs/dbraw/zinc/40/02/22/360400222.db2.gz KGNUQIVVYLRJFN-SCZZXKLOSA-N 0 0 211.334 2.492 10 0 BEAERN Clc1cncc(N[C@@H]2C[C@@H]2C2CC2)n1 ZINC000306531290 360393370 /nfs/dbraw/zinc/39/33/70/360393370.db2.gz FNJRNUXCLYIWEM-HTQZYQBOSA-N 0 0 209.680 2.340 10 0 BEAERN Cc1cc(CC(=O)c2cn[nH]c2)cs1 ZINC000306533022 360394368 /nfs/dbraw/zinc/39/43/68/360394368.db2.gz CAWQDWVGEAXFNP-UHFFFAOYSA-N 0 0 206.270 2.205 10 0 BEAERN Cc1ccsc1C(=O)N1CCSC1 ZINC000306521002 360358122 /nfs/dbraw/zinc/35/81/22/360358122.db2.gz LZCZFRCXYOVCGN-UHFFFAOYSA-N 0 0 213.327 2.203 10 0 BEAERN C[C@@H]1CCN(c2cc(Cl)ncn2)[C@H]1C ZINC000306563340 360440986 /nfs/dbraw/zinc/44/09/86/360440986.db2.gz VNRNECRGIADEPJ-SFYZADRCSA-N 0 0 211.696 2.365 10 0 BEAERN CC[C@@H](NC(=O)c1ccc[nH]1)c1nccs1 ZINC000130438211 360443423 /nfs/dbraw/zinc/44/34/23/360443423.db2.gz RZZJNOZZHMLOOQ-MRVPVSSYSA-N 0 0 235.312 2.352 10 0 BEAERN CC[C@H](NC(=O)c1ccc[nH]1)c1nccs1 ZINC000130437962 360443864 /nfs/dbraw/zinc/44/38/64/360443864.db2.gz RZZJNOZZHMLOOQ-QMMMGPOBSA-N 0 0 235.312 2.352 10 0 BEAERN C[C@@H](Nc1ncc(F)cn1)C(C)(F)F ZINC000306565932 360445042 /nfs/dbraw/zinc/44/50/42/360445042.db2.gz YCGQVBUECDVJBC-RXMQYKEDSA-N 0 0 205.183 2.071 10 0 BEAERN C[C@H]1CSCC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000306566736 360446123 /nfs/dbraw/zinc/44/61/23/360446123.db2.gz YWZJTPXIUCZWDR-MNOVXSKESA-N 0 0 227.373 2.183 10 0 BEAERN C[C@@H]1CCC[C@H](C[C@@H](O)C(C)(C)O)C1 ZINC000306568326 360446344 /nfs/dbraw/zinc/44/63/44/360446344.db2.gz UOPHLOMWNGYFPD-OUAUKWLOSA-N 0 0 200.322 2.335 10 0 BEAERN COc1cc([C@@H]2CCCCC2=O)sn1 ZINC000306543136 360411587 /nfs/dbraw/zinc/41/15/87/360411587.db2.gz ROZFSWKUCSDBFE-SSDOTTSWSA-N 0 0 211.286 2.378 10 0 BEAERN C[C@]1(C(=O)N2CCSC2)CC1(Cl)Cl ZINC000306541976 360412323 /nfs/dbraw/zinc/41/23/23/360412323.db2.gz UNSIZJMUFPZSTB-SSDOTTSWSA-N 0 0 240.155 2.103 10 0 BEAERN NNc1cccc2cc(Br)cnc21 ZINC000161043932 360418792 /nfs/dbraw/zinc/41/87/92/360418792.db2.gz NKQBMQYEOHLQKI-UHFFFAOYSA-N 0 0 238.088 2.283 10 0 BEAERN Nc1cc(F)c(OCC(F)F)c(F)c1 ZINC000130429872 360421213 /nfs/dbraw/zinc/42/12/13/360421213.db2.gz XRLDVUQCFKZPAJ-UHFFFAOYSA-N 0 0 209.142 2.191 10 0 BEAERN COc1cc([C@]2(O)C[C@H](C)[C@H]2C)sn1 ZINC000306550730 360424734 /nfs/dbraw/zinc/42/47/34/360424734.db2.gz ZNKIVMYCFBSHEP-PJKMHFRUSA-N 0 0 213.302 2.015 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)c1ccc2c(c1)OCC2 ZINC000306551209 360424755 /nfs/dbraw/zinc/42/47/55/360424755.db2.gz ZVWUUIBAKSOCKV-LDYMZIIASA-N 0 0 202.253 2.460 10 0 BEAERN CC(=O)c1nc(-c2ccns2)cs1 ZINC000306553709 360426382 /nfs/dbraw/zinc/42/63/82/360426382.db2.gz DSIFGWHIUVBMDX-UHFFFAOYSA-N 0 0 210.283 2.469 10 0 BEAERN CC(=O)c1nc(-c2cncnc2)sc1C ZINC000306555573 360430243 /nfs/dbraw/zinc/43/02/43/360430243.db2.gz HQDRIXJVMQWNFB-UHFFFAOYSA-N 0 0 219.269 2.111 10 0 BEAERN O=C1N[C@@H](c2csc(Br)c2)CO1 ZINC000306557936 360430684 /nfs/dbraw/zinc/43/06/84/360430684.db2.gz OKMOUQKYMZQCGC-RXMQYKEDSA-N 0 0 248.101 2.292 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1sccc1Cl ZINC000306558368 360431744 /nfs/dbraw/zinc/43/17/44/360431744.db2.gz ORZHQXMVMOJWOO-ZETCQYMHSA-N 0 0 214.677 2.206 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000247451334 325591434 /nfs/dbraw/zinc/59/14/34/325591434.db2.gz OZBQJRMAZHSUGJ-RCWTZXSCSA-N 0 0 210.321 2.225 10 0 BEAERN C[S@](=O)CCNc1cc(F)cc(Cl)c1 ZINC000306583826 360482331 /nfs/dbraw/zinc/48/23/31/360482331.db2.gz RDTDUBMGPUCPKY-AWEZNQCLSA-N 0 0 235.711 2.270 10 0 BEAERN Cc1cn([C@@H]2CSC[C@H]2C)c(=S)[nH]1 ZINC000306584090 360483787 /nfs/dbraw/zinc/48/37/87/360483787.db2.gz PWQNURJVCGITRN-HTRCEHHLSA-N 0 0 214.359 2.404 10 0 BEAERN COc1ccsc1C(=O)c1ccns1 ZINC000306584656 360484905 /nfs/dbraw/zinc/48/49/05/360484905.db2.gz RWZSGLLIOYODEY-UHFFFAOYSA-N 0 0 225.294 2.444 10 0 BEAERN C[C@@H](O)C(=O)c1cscc1C(F)(F)F ZINC000306587359 360491218 /nfs/dbraw/zinc/49/12/18/360491218.db2.gz SEBVBZCJTQGOGL-SCSAIBSYSA-N 0 0 224.203 2.330 10 0 BEAERN COc1cc(N)ccc1-n1cnc(Cl)c1 ZINC000113993321 360454878 /nfs/dbraw/zinc/45/48/78/360454878.db2.gz DJCLJGKHLXTVTR-UHFFFAOYSA-N 0 0 223.663 2.117 10 0 BEAERN COc1cc(N)c(C(F)(F)F)c(F)c1 ZINC000306577036 360464359 /nfs/dbraw/zinc/46/43/59/360464359.db2.gz KXVRUKCHACUQNY-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CCNc1nc([C@@H]2CCOC2)c(C)s1 ZINC000306599533 360520564 /nfs/dbraw/zinc/52/05/64/360520564.db2.gz RNKHVKAUSXUETD-MRVPVSSYSA-N 0 0 212.318 2.387 10 0 BEAERN O=C(c1cscn1)[C@H](O)C1CCCCC1 ZINC000306599717 360521019 /nfs/dbraw/zinc/52/10/19/360521019.db2.gz HWBOKIPILSWIIE-SNVBAGLBSA-N 0 0 225.313 2.267 10 0 BEAERN O=C(c1cscn1)[C@@H](O)C1CCCCC1 ZINC000306599715 360521178 /nfs/dbraw/zinc/52/11/78/360521178.db2.gz HWBOKIPILSWIIE-JTQLQIEISA-N 0 0 225.313 2.267 10 0 BEAERN O=C(C[C@H]1CCC(F)(F)C1)[C@H]1CCOC1 ZINC000300827068 360524091 /nfs/dbraw/zinc/52/40/91/360524091.db2.gz GWTMVQJOMBDFSF-BDAKNGLRSA-N 0 0 218.243 2.418 10 0 BEAERN FC1(F)CC[C@H](NC2N=NC(=S)S2)C1 ZINC000306592977 360513586 /nfs/dbraw/zinc/51/35/86/360513586.db2.gz IOYYCIQGNUQTEF-BYPYZUCNSA-N 0 0 237.300 2.427 10 0 BEAERN CCc1cnc([C@@H]2N[C@H](C)CS2)s1 ZINC000306596542 360518200 /nfs/dbraw/zinc/51/82/00/360518200.db2.gz MPKYVTJGEJXCGH-HZGVNTEJSA-N 0 0 214.359 2.429 10 0 BEAERN CCC[C@H](CCO)NC(=O)[C@H]1CCC[C@H]1C ZINC000633829501 360542019 /nfs/dbraw/zinc/54/20/19/360542019.db2.gz DZHMMABJVLSXQC-UTUOFQBUSA-N 0 0 227.348 2.090 10 0 BEAERN CCC[C@H](CCO)NC(=O)[C@@H]1CCC[C@H]1C ZINC000633829498 360542812 /nfs/dbraw/zinc/54/28/12/360542812.db2.gz DZHMMABJVLSXQC-IJLUTSLNSA-N 0 0 227.348 2.090 10 0 BEAERN NC(=O)c1cccc(-c2cn3ccccc3n2)c1 ZINC000090585612 181302328 /nfs/dbraw/zinc/30/23/28/181302328.db2.gz VJFGIPQYZCOQGL-UHFFFAOYSA-N 0 0 237.262 2.100 10 0 BEAERN NC(=O)c1ccc2c(c1)ncn2-c1ccccc1 ZINC000013782580 181302475 /nfs/dbraw/zinc/30/24/75/181302475.db2.gz ZUMMCUSTDGKTFE-UHFFFAOYSA-N 0 0 237.262 2.124 10 0 BEAERN CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CO ZINC000238160206 360637904 /nfs/dbraw/zinc/63/79/04/360637904.db2.gz BNMWVRRRNYUWBT-LBPRGKRZSA-N 0 0 229.320 2.158 10 0 BEAERN CC1(C)OC(=O)C=N[C@@H]1c1ccccc1 ZINC000038339042 259520453 /nfs/dbraw/zinc/52/04/53/259520453.db2.gz AISCPSRYGCFAQP-LLVKDONJSA-N 0 0 203.241 2.134 10 0 BEAERN CC(C)c1nc2cc(N)ccc2c(=O)[nH]1 ZINC000238162312 360660894 /nfs/dbraw/zinc/66/08/94/360660894.db2.gz PUZAQNPUESXLOA-UHFFFAOYSA-N 0 0 203.245 2.041 10 0 BEAERN NC(=O)c1cccc(NCCc2ccccc2)c1 ZINC000020124832 181305050 /nfs/dbraw/zinc/30/50/50/181305050.db2.gz IPFPZUQJBZIYPY-UHFFFAOYSA-N 0 0 240.306 2.440 10 0 BEAERN C[C@@]1(c2cccc(F)c2)CC(=O)CCO1 ZINC000069853242 360727939 /nfs/dbraw/zinc/72/79/39/360727939.db2.gz UPVBVGNLUXZQIY-LBPRGKRZSA-N 0 0 208.232 2.420 10 0 BEAERN CC(C)(C)OC(=O)Nc1cncc(N)c1 ZINC000238208530 360705092 /nfs/dbraw/zinc/70/50/92/360705092.db2.gz HWTCCFNRVMRBGY-UHFFFAOYSA-N 0 0 209.249 2.011 10 0 BEAERN NC(=O)c1ccccc1Oc1ccccc1C=O ZINC000020079345 181306619 /nfs/dbraw/zinc/30/66/19/181306619.db2.gz WHDOEEFEJSUTCB-UHFFFAOYSA-N 0 0 241.246 2.390 10 0 BEAERN NC(=O)c1ccccc1Oc1ccc(CO)cc1 ZINC000020435158 181306774 /nfs/dbraw/zinc/30/67/74/181306774.db2.gz JSQWSYZVYWNTGB-UHFFFAOYSA-N 0 0 243.262 2.070 10 0 BEAERN CC(C)c1nccc(N[C@@H]2CCO[C@H]2C)n1 ZINC000153224634 360765192 /nfs/dbraw/zinc/76/51/92/360765192.db2.gz OQKQDSBBAOTJGI-VHSXEESVSA-N 0 0 221.304 2.189 10 0 BEAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccn[nH]1 ZINC000103055087 200724459 /nfs/dbraw/zinc/72/44/59/200724459.db2.gz FMORVJHCRBCBKV-GHMZBOCLSA-N 0 0 235.331 2.354 10 0 BEAERN Ic1ccc2oncc2c1 ZINC000138558382 360904005 /nfs/dbraw/zinc/90/40/05/360904005.db2.gz VWSFRLVYRYSUGB-UHFFFAOYSA-N 0 0 245.019 2.432 10 0 BEAERN COC(=O)c1cc(C)c(N)cc1Br ZINC000238349932 360910008 /nfs/dbraw/zinc/91/00/08/360910008.db2.gz NISOEVMHZLDNMO-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN NC(=S)Cc1cc(Cl)ccc1F ZINC000083344078 181317635 /nfs/dbraw/zinc/31/76/35/181317635.db2.gz VVGLMSKAGSPXKO-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN NC(=S)Cc1ccc(Cl)c(F)c1 ZINC000083344075 181317824 /nfs/dbraw/zinc/31/78/24/181317824.db2.gz XXZUWERNWQZZTP-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN COC(=O)c1nsc2ccc(OC)cc21 ZINC000238367526 360950365 /nfs/dbraw/zinc/95/03/65/360950365.db2.gz KNUAAKYINZNFGJ-UHFFFAOYSA-N 0 0 223.253 2.092 10 0 BEAERN NC(=S)c1cc2ccccc2cc1O ZINC000083344000 181320130 /nfs/dbraw/zinc/32/01/30/181320130.db2.gz AFRZKNSEXIZBGY-UHFFFAOYSA-N 0 0 203.266 2.180 10 0 BEAERN COc1cc(OC(F)(F)F)ncc1F ZINC000238402717 360995537 /nfs/dbraw/zinc/99/55/37/360995537.db2.gz QSFPMHIFLQLBKY-UHFFFAOYSA-N 0 0 211.114 2.128 10 0 BEAERN O=Cc1c[nH]c(Cc2cccc(Cl)c2)n1 ZINC000069906729 361002129 /nfs/dbraw/zinc/00/21/29/361002129.db2.gz AUZYKNIIOSWSRD-UHFFFAOYSA-N 0 0 220.659 2.466 10 0 BEAERN Cc1ccc(Cc2nc(C=O)c[nH]2)cc1 ZINC000069906756 361002270 /nfs/dbraw/zinc/00/22/70/361002270.db2.gz LUSAAFKZRYPHRC-UHFFFAOYSA-N 0 0 200.241 2.121 10 0 BEAERN Cc1ccccc1Cc1nc(C=O)c[nH]1 ZINC000069906760 361002485 /nfs/dbraw/zinc/00/24/85/361002485.db2.gz ISDQYPYAKDBLDC-UHFFFAOYSA-N 0 0 200.241 2.121 10 0 BEAERN NC(=S)c1c(F)cccc1OC(F)F ZINC000036818576 181320489 /nfs/dbraw/zinc/32/04/89/181320489.db2.gz AKUJAKPXMWUOPQ-UHFFFAOYSA-N 0 0 221.203 2.061 10 0 BEAERN Cc1cccc2c1[S@](=O)[C@H](C)CC2=O ZINC000040973382 360984062 /nfs/dbraw/zinc/98/40/62/360984062.db2.gz IIRGZLJESHIRMI-CLAHSXSESA-N 0 0 208.282 2.078 10 0 BEAERN COc1c(CO)cccc1OC(F)(F)F ZINC000238385692 360988849 /nfs/dbraw/zinc/98/88/49/360988849.db2.gz PQQUVKDCQKDDSG-UHFFFAOYSA-N 0 0 222.162 2.086 10 0 BEAERN NC(=S)c1nc2cc(F)ccc2s1 ZINC000075851813 181321637 /nfs/dbraw/zinc/32/16/37/181321637.db2.gz BLRSAPLZZXHPHE-UHFFFAOYSA-N 0 0 212.274 2.070 10 0 BEAERN NC(=S)c1cnc(-c2ccccc2)s1 ZINC000082689083 181321268 /nfs/dbraw/zinc/32/12/68/181321268.db2.gz XFOYHMPISLIENJ-UHFFFAOYSA-N 0 0 220.322 2.444 10 0 BEAERN NC(=S)c1nc(Cl)ccc1Cl ZINC000083344904 181321751 /nfs/dbraw/zinc/32/17/51/181321751.db2.gz NRKXFUIWIFBIFT-UHFFFAOYSA-N 0 0 207.085 2.023 10 0 BEAERN NC(=S)c1ccc(N2CCCCCC2)nc1 ZINC000019489218 181320993 /nfs/dbraw/zinc/32/09/93/181320993.db2.gz XLMGXPAMCCMHNP-UHFFFAOYSA-N 0 0 235.356 2.096 10 0 BEAERN NC(=S)c1ccc(F)c2cnccc12 ZINC000096859282 181321041 /nfs/dbraw/zinc/32/10/41/181321041.db2.gz ORSCOHQVIDOSEJ-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN NC(=S)c1ccnc(NC2CCCC2)c1 ZINC000019434514 181322083 /nfs/dbraw/zinc/32/20/83/181322083.db2.gz VVWXYQKYBOVRSN-UHFFFAOYSA-N 0 0 221.329 2.070 10 0 BEAERN NC(=S)c1csc(-c2ccccc2)n1 ZINC000019723175 181322087 /nfs/dbraw/zinc/32/20/87/181322087.db2.gz XVTQWDZVBGVPRS-UHFFFAOYSA-N 0 0 220.322 2.444 10 0 BEAERN CC[C@]1(O)CCCN(C(=O)[C@@H]2CCC[C@H]2C)C1 ZINC000634204952 361070135 /nfs/dbraw/zinc/07/01/35/361070135.db2.gz PVGOGNJQQMNKMK-BZPMIXESSA-N 0 0 239.359 2.186 10 0 BEAERN Cc1ccc(C=O)c(OC(F)(F)F)n1 ZINC000238462339 361086733 /nfs/dbraw/zinc/08/67/33/361086733.db2.gz JOOBPVZHFPKRMV-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1ncc(F)cc1I ZINC000238477679 361098146 /nfs/dbraw/zinc/09/81/46/361098146.db2.gz YZKYNFKATDQGLH-UHFFFAOYSA-N 0 0 237.015 2.134 10 0 BEAERN CC1(C)C(=O)N([Si](C)(C)C)[C@H]1C1CC1 ZINC000306614284 361141239 /nfs/dbraw/zinc/14/12/39/361141239.db2.gz LSNDELJKEYRJEK-VIFPVBQESA-N 0 0 211.381 2.468 10 0 BEAERN FC(F)c1cnc(OC(F)(F)F)cn1 ZINC000238556309 361149884 /nfs/dbraw/zinc/14/98/84/361149884.db2.gz PROKNOYPHOJELJ-UHFFFAOYSA-N 0 0 214.093 2.313 10 0 BEAERN Cc1cc(N[C@H](C)C(C)(C)O)nc(Cl)n1 ZINC000306616702 361171659 /nfs/dbraw/zinc/17/16/59/361171659.db2.gz PCUTUSCIECTDER-SSDOTTSWSA-N 0 0 229.711 2.010 10 0 BEAERN Nc1nc(Cl)ccc1OC(F)(F)F ZINC000238652457 361171675 /nfs/dbraw/zinc/17/16/75/361171675.db2.gz NVZBUGXUDFBJBD-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN Nc1ncc(Cl)cc1C1(O)CCCC1 ZINC000069943274 361173513 /nfs/dbraw/zinc/17/35/13/361173513.db2.gz FJTBLQSJWYFZEM-UHFFFAOYSA-N 0 0 212.680 2.079 10 0 BEAERN CCn1ccc2ccn(C[C@H]3CCCO3)c(=O)c21 ZINC000065224794 361173564 /nfs/dbraw/zinc/17/35/64/361173564.db2.gz XJPFJVWCAGWPAF-GFCCVEGCSA-N 0 0 246.310 2.002 10 0 BEAERN Nc1c(Cl)ccnc1OC(F)(F)F ZINC000238678956 361176646 /nfs/dbraw/zinc/17/66/46/361176646.db2.gz ASYDIBVDUMGVSB-UHFFFAOYSA-N 0 0 212.558 2.216 10 0 BEAERN CCn1nc(C(C)C)c(C=O)c1Cl ZINC000041043600 361182001 /nfs/dbraw/zinc/18/20/01/361182001.db2.gz YZJWHXGMQKHRNH-UHFFFAOYSA-N 0 0 200.669 2.492 10 0 BEAERN CCn1ccnc1C(=O)c1ccc(C)o1 ZINC000041048414 361187555 /nfs/dbraw/zinc/18/75/55/361187555.db2.gz OKJBORWOLCHGSR-UHFFFAOYSA-N 0 0 204.229 2.035 10 0 BEAERN CC(C)(C)[C@@H](C(=O)[O-])[N@@H+]1CCCC1(C)C ZINC000306614927 361164366 /nfs/dbraw/zinc/16/43/66/361164366.db2.gz AUXYRDFGJPIFTL-SECBINFHSA-N 0 0 213.321 2.360 10 0 BEAERN COC(=O)c1c(F)ccc(Br)c1O ZINC000306614857 361164925 /nfs/dbraw/zinc/16/49/25/361164925.db2.gz MEIUGXXINDWKRU-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN CC(C)c1nc(-c2sccc2N)n[nH]1 ZINC000041058538 361219264 /nfs/dbraw/zinc/21/92/64/361219264.db2.gz DYELJIJMCSGSIN-UHFFFAOYSA-N 0 0 208.290 2.239 10 0 BEAERN C[C@@H](Nc1nncs1)c1ccccn1 ZINC000069965861 361237339 /nfs/dbraw/zinc/23/73/39/361237339.db2.gz QJDPKDLODCMODA-SSDOTTSWSA-N 0 0 206.274 2.106 10 0 BEAERN COc1ccccc1CC1=NC(=O)CS1 ZINC000306627840 361298214 /nfs/dbraw/zinc/29/82/14/361298214.db2.gz JQHSRXLZVZMPAF-UHFFFAOYSA-N 0 0 221.281 2.448 10 0 BEAERN CC(C)CCN(C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000079620097 370680811 /nfs/dbraw/zinc/68/08/11/370680811.db2.gz ASRNNPQAGFCOQF-NEPJUHHUSA-N 0 0 242.363 2.241 10 0 BEAERN NN=c1ccc2cc(Cl)cc(F)c2[nH]1 ZINC000070063949 361392753 /nfs/dbraw/zinc/39/27/53/361392753.db2.gz USVYGRLXDPIDKE-UHFFFAOYSA-N 0 0 211.627 2.313 10 0 BEAERN Nc1ccc(C(=O)[C@H]2CCCO2)c(Cl)c1 ZINC000070042458 361383880 /nfs/dbraw/zinc/38/38/80/361383880.db2.gz WMMZQGILVDEMJT-SNVBAGLBSA-N 0 0 225.675 2.284 10 0 BEAERN COC(=O)c1cnc(OC(F)(F)F)c(C)c1 ZINC000381541429 361477747 /nfs/dbraw/zinc/47/77/47/361477747.db2.gz ISPYARQNBCSYMT-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN COC(=O)c1cc(C)nc(OC(F)(F)F)c1 ZINC000381553900 361480788 /nfs/dbraw/zinc/48/07/88/361480788.db2.gz NQGLZWJMXNTKMK-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN CC(C)(C)S(=O)(=O)NC1CCCCC1 ZINC000070233392 361490033 /nfs/dbraw/zinc/49/00/33/361490033.db2.gz JVZHAXXNWIVANB-UHFFFAOYSA-N 0 0 219.350 2.037 10 0 BEAERN CSCCC(=O)c1ccccc1C#N ZINC000381643150 361508097 /nfs/dbraw/zinc/50/80/97/361508097.db2.gz PZEQMPNUNJZWKZ-UHFFFAOYSA-N 0 0 205.282 2.494 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)c2cnccn2)C1 ZINC000070559173 361536503 /nfs/dbraw/zinc/53/65/03/361536503.db2.gz KVARFAOUHDDGNL-ZJUUUORDSA-N 0 0 204.273 2.486 10 0 BEAERN CC(C)n1ccnc1CN(C)[C@@H](C)C(C)(C)O ZINC000448546846 201201855 /nfs/dbraw/zinc/20/18/55/201201855.db2.gz ODGRPNJDESGYHU-NSHDSACASA-N 0 0 239.363 2.055 10 0 BEAERN N=C1NN=C(c2ccc3c(c2)CCCC3)CS1 ZINC000040537934 181338657 /nfs/dbraw/zinc/33/86/57/181338657.db2.gz XUYGGUFORCNHRQ-UHFFFAOYSA-N 0 0 245.351 2.331 10 0 BEAERN CCC1N=NC(=S)N1[C@@H]1CCS[C@@H]1C ZINC000306639023 361591098 /nfs/dbraw/zinc/59/10/98/361591098.db2.gz CGQBQGVGKVIKJQ-RNFRBKRXSA-N 0 0 229.374 2.196 10 0 BEAERN Fc1ccc(-c2nc(Cl)n[nH]2)cc1F ZINC000070584163 361573576 /nfs/dbraw/zinc/57/35/76/361573576.db2.gz DAPCPXCTIYNPIH-UHFFFAOYSA-N 0 0 215.590 2.403 10 0 BEAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCCC12CCCC2 ZINC000306638338 361586561 /nfs/dbraw/zinc/58/65/61/361586561.db2.gz NBZMSUVIIRYQEK-JTQLQIEISA-N 0 0 211.305 2.258 10 0 BEAERN CCCCc1nnc2c(Cl)nccn12 ZINC000070616307 361632602 /nfs/dbraw/zinc/63/26/02/361632602.db2.gz NSLPSHXIIPUFMH-UHFFFAOYSA-N 0 0 210.668 2.120 10 0 BEAERN Oc1cccnc1NCc1cccs1 ZINC000214883951 363874213 /nfs/dbraw/zinc/87/42/13/363874213.db2.gz ZJJLVKVWTSJRBW-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN COC(=O)[C@H]1O[C@@]12CCCC21CCCC1 ZINC000307154646 541314875 /nfs/dbraw/zinc/31/48/75/541314875.db2.gz UZLNPSMBVRJVLS-SKDRFNHKSA-N 0 0 210.273 2.041 10 0 BEAERN COC(=O)[C@H]1O[C@]12CCCC21CCCC1 ZINC000307154643 541314912 /nfs/dbraw/zinc/31/49/12/541314912.db2.gz UZLNPSMBVRJVLS-BXKDBHETSA-N 0 0 210.273 2.041 10 0 BEAERN CC(C)=CCCn1cc(N)c(C)cc1=O ZINC000718553065 541316533 /nfs/dbraw/zinc/31/65/33/541316533.db2.gz YAMZRWHDENGKMG-UHFFFAOYSA-N 0 0 206.289 2.095 10 0 BEAERN CC(C)=C(C)CCn1cccc(N)c1=O ZINC000718530376 541316686 /nfs/dbraw/zinc/31/66/86/541316686.db2.gz VRBAHUNXFBFMOQ-UHFFFAOYSA-N 0 0 206.289 2.177 10 0 BEAERN C[C@H]([C@H](C)C(=O)[O-])[N@@H+]1CCCCC[C@H]1C ZINC000252601812 363985584 /nfs/dbraw/zinc/98/55/84/363985584.db2.gz MPLVJDCHHOLBJM-OUAUKWLOSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCCCC[C@H]1C ZINC000252601813 363985719 /nfs/dbraw/zinc/98/57/19/363985719.db2.gz MPLVJDCHHOLBJM-VWYCJHECSA-N 0 0 213.321 2.360 10 0 BEAERN CCc1cnc(NC2CCOCC2)s1 ZINC000224939181 363986876 /nfs/dbraw/zinc/98/68/76/363986876.db2.gz ARVBRJZYLXCJII-UHFFFAOYSA-N 0 0 212.318 2.296 10 0 BEAERN C[C@@H]1Oc2c(ccc(Cl)c2F)C1=O ZINC000130678479 364026695 /nfs/dbraw/zinc/02/66/95/364026695.db2.gz VXIPFJBCSBXQJD-BYPYZUCNSA-N 0 0 200.596 2.443 10 0 BEAERN CC(C)[C@H](C)C(=O)NCC[C@H]1CCCC[C@H]1O ZINC000725263919 541336789 /nfs/dbraw/zinc/33/67/89/541336789.db2.gz BVIOJUMGKLLOSK-YNEHKIRRSA-N 0 0 241.375 2.336 10 0 BEAERN CCC(C)(C)[C@H]1Nc2ccc(N)cc2C[C@H]1O ZINC000725268688 541338015 /nfs/dbraw/zinc/33/80/15/541338015.db2.gz YIXJRVSOJXBPBZ-OLZOCXBDSA-N 0 0 234.343 2.403 10 0 BEAERN COc1cccc2c1N[C@H](CC1CC1)[C@H](O)C2 ZINC000725268681 541338650 /nfs/dbraw/zinc/33/86/50/541338650.db2.gz YEYMDMRAIPMOGZ-VXGBXAGGSA-N 0 0 233.311 2.193 10 0 BEAERN CCC[C@H]1CC(=O)CC[C@H]1C(=O)OCC ZINC000725271540 541339988 /nfs/dbraw/zinc/33/99/88/541339988.db2.gz PCBAIAZSFBFHCJ-GXSJLCMTSA-N 0 0 212.289 2.335 10 0 BEAERN CCOC(=O)c1nc(C=O)sc1C(C)C ZINC000116160490 370739684 /nfs/dbraw/zinc/73/96/84/370739684.db2.gz HDAHFRHUYGSONI-UHFFFAOYSA-N 0 0 227.285 2.256 10 0 BEAERN CCC1CCC(NC(=O)[C@H]2CCCOC2)CC1 ZINC000170791040 364216094 /nfs/dbraw/zinc/21/60/94/364216094.db2.gz AOBBVRIPRYQNII-CPCZMJQVSA-N 0 0 239.359 2.498 10 0 BEAERN COc1ccnc(C)c1Br ZINC000214934321 364322886 /nfs/dbraw/zinc/32/28/86/364322886.db2.gz ZJTLPLSBZUIULV-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN COC(=O)c1coc(CNCc2ccccc2)c1 ZINC000135322752 364435181 /nfs/dbraw/zinc/43/51/81/364435181.db2.gz SIISEZOWGUMGOB-UHFFFAOYSA-N 0 0 245.278 2.356 10 0 BEAERN Cc1cccc(OCC(=O)N2CCCC[C@@H]2C)n1 ZINC000181779355 366848571 /nfs/dbraw/zinc/84/85/71/366848571.db2.gz FCEMUCWLDNANAD-LBPRGKRZSA-N 0 0 248.326 2.170 10 0 BEAERN CCN(C)c1ccc(C(N)=S)cc1C ZINC000037733703 364563721 /nfs/dbraw/zinc/56/37/21/364563721.db2.gz DLFNTCXKWOBBMD-UHFFFAOYSA-N 0 0 208.330 2.085 10 0 BEAERN Cn1c(CN2CCCC2(C)C)nnc1C1CC1 ZINC000170872904 364557119 /nfs/dbraw/zinc/55/71/19/364557119.db2.gz VJEOAAFCZVDWDG-UHFFFAOYSA-N 0 0 234.347 2.067 10 0 BEAERN CCc1nc(C)c(CNC(=O)OC(C)C)o1 ZINC000297147503 364788953 /nfs/dbraw/zinc/78/89/53/364788953.db2.gz RDVISOORUMVBEE-UHFFFAOYSA-N 0 0 226.276 2.180 10 0 BEAERN Clc1nc(Cl)c2c(n1)OCCC2 ZINC000141917200 541428930 /nfs/dbraw/zinc/42/89/30/541428930.db2.gz BJAIZZLNCFQTSX-UHFFFAOYSA-N 0 0 205.044 2.108 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]12CCC[C@@H](C)[C@H]2C ZINC000250714112 541440109 /nfs/dbraw/zinc/44/01/09/541440109.db2.gz ZQQPYUNJELPDPA-SVDPJWKOSA-N 0 0 212.289 2.143 10 0 BEAERN CCC(=O)c1c(N)cc(F)c(F)c1F ZINC000669372647 541435990 /nfs/dbraw/zinc/43/59/90/541435990.db2.gz USBBVUDDJMUWNB-UHFFFAOYSA-N 0 0 203.163 2.279 10 0 BEAERN [NH3+]Cc1cc(F)c(OC(F)F)cc1[S-] ZINC000669372651 541436016 /nfs/dbraw/zinc/43/60/16/541436016.db2.gz VJNNBJQJGQRURL-UHFFFAOYSA-N 0 0 223.219 2.175 10 0 BEAERN CCc1noc2nc(C(C)C)cc(N)c12 ZINC000669384183 541437315 /nfs/dbraw/zinc/43/73/15/541437315.db2.gz PSSIMUOKBLFEDF-UHFFFAOYSA-N 0 0 205.261 2.491 10 0 BEAERN CC[C@@]1(C(=O)OC)OC12CC(C(C)C)C2 ZINC000669384208 541437319 /nfs/dbraw/zinc/43/73/19/541437319.db2.gz QECXAKASQRRGNU-NHNAUAITSA-N 0 0 212.289 2.143 10 0 BEAERN [NH3+]CC1(C(=O)[O-])CC2(C1)CCCCCC2 ZINC000083172634 541450797 /nfs/dbraw/zinc/45/07/97/541450797.db2.gz JOHBMMIDSUIJEN-UHFFFAOYSA-N 0 0 211.305 2.151 10 0 BEAERN Cc1cc(NCc2nnnn2C(C)C)ccc1F ZINC000171371701 365194434 /nfs/dbraw/zinc/19/44/34/365194434.db2.gz SNBJRQDGYOBXOH-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN COC[C@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000171431171 365198589 /nfs/dbraw/zinc/19/85/89/365198589.db2.gz SICRKQIHDVJDOV-CXQJBGSLSA-N 0 0 227.348 2.306 10 0 BEAERN COC[C@@H](C)C(=O)N(CC(C)C)C(C)C ZINC000171444346 365200343 /nfs/dbraw/zinc/20/03/43/365200343.db2.gz STDANGMTZARGRQ-LLVKDONJSA-N 0 0 215.337 2.162 10 0 BEAERN COC[C@H](C)C(=O)N(C)CC1CCCCC1 ZINC000171526597 365209684 /nfs/dbraw/zinc/20/96/84/365209684.db2.gz SFINAAYOVHNACJ-NSHDSACASA-N 0 0 227.348 2.308 10 0 BEAERN CC(C)[C@@H](C)CNC(=O)N1CCS[C@H](C)C1 ZINC000172506809 365333380 /nfs/dbraw/zinc/33/33/80/365333380.db2.gz QYGMAUBCCSICMP-WDEREUQCSA-N 0 0 244.404 2.425 10 0 BEAERN COc1ccc2c[nH]c(=O)nc2c1C(C)C ZINC000147366224 325755428 /nfs/dbraw/zinc/75/54/28/325755428.db2.gz BICUCIXLXWVJKG-UHFFFAOYSA-N 0 0 218.256 2.055 10 0 BEAERN COC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000172794551 365380849 /nfs/dbraw/zinc/38/08/49/365380849.db2.gz PSRPOAXHEWSFCF-VXGBXAGGSA-N 0 0 247.338 2.242 10 0 BEAERN COC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000172794548 365380881 /nfs/dbraw/zinc/38/08/81/365380881.db2.gz PSRPOAXHEWSFCF-RYUDHWBXSA-N 0 0 247.338 2.242 10 0 BEAERN CC(C)OCCCC(=O)N1CCS[C@@H](C)C1 ZINC000182400199 366894031 /nfs/dbraw/zinc/89/40/31/366894031.db2.gz GLHRBOSDSFHMCE-NSHDSACASA-N 0 0 245.388 2.156 10 0 BEAERN CC[C@H]1[C@H](C)CNc2nc(C(F)F)nn21 ZINC000312878817 541468896 /nfs/dbraw/zinc/46/88/96/541468896.db2.gz FFYOLERJCHOVJK-RITPCOANSA-N 0 0 216.235 2.228 10 0 BEAERN Cc1cc2n(n1)C[C@H](c1ccccc1)CN2 ZINC000229308225 541495935 /nfs/dbraw/zinc/49/59/35/541495935.db2.gz NHXHBFYZKPOLAH-GFCCVEGCSA-N 0 0 213.284 2.401 10 0 BEAERN FC(F)(F)N1CCNc2ccccc21 ZINC000142929184 541504911 /nfs/dbraw/zinc/50/49/11/541504911.db2.gz WDQUMPAODYLRAY-UHFFFAOYSA-N 0 0 202.179 2.438 10 0 BEAERN COC(=O)c1coc2c1cccc2OC ZINC000685952033 541497532 /nfs/dbraw/zinc/49/75/32/541497532.db2.gz PRWOQIAVYUJGSC-UHFFFAOYSA-N 0 0 206.197 2.228 10 0 BEAERN CC[C@@H]1[C@@H](C)CNc2c3c(nn21)NCCC3 ZINC000233954755 541510249 /nfs/dbraw/zinc/51/02/49/541510249.db2.gz HOCDDZJQXCCAEZ-WCBMZHEXSA-N 0 0 220.320 2.254 10 0 BEAERN CCc1cc2n(n1)[C@@H](C(F)(F)F)CCN2 ZINC000234185263 541510849 /nfs/dbraw/zinc/51/08/49/541510849.db2.gz PJGRULBABSDJTB-SSDOTTSWSA-N 0 0 219.210 2.365 10 0 BEAERN CCc1cc2n(n1)[C@@H](C(F)F)CCN2 ZINC000234185307 541510954 /nfs/dbraw/zinc/51/09/54/541510954.db2.gz NZEHZNBIJXSYJO-SSDOTTSWSA-N 0 0 201.220 2.067 10 0 BEAERN CCc1nn(C/C=C/Cl)c(CC)c1N ZINC000234157781 541511288 /nfs/dbraw/zinc/51/12/88/541511288.db2.gz NWSCSCVJRPLGIB-AATRIKPKSA-N 0 0 213.712 2.343 10 0 BEAERN CCc1nc2n(n1)[C@@H](c1cccs1)CCN2 ZINC000234207351 541512297 /nfs/dbraw/zinc/51/22/97/541512297.db2.gz FFBOGCASWJIVDM-MRVPVSSYSA-N 0 0 234.328 2.307 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)CC(C)(C)C ZINC000384788742 541515569 /nfs/dbraw/zinc/51/55/69/541515569.db2.gz QWUJNORERFXIKD-VHSXEESVSA-N 0 0 220.696 2.320 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)CC(C)(C)C ZINC000384788654 541515417 /nfs/dbraw/zinc/51/54/17/541515417.db2.gz QWUJNORERFXIKD-NXEZZACHSA-N 0 0 220.696 2.320 10 0 BEAERN CN(C)c1ccc([C@H](O)c2cccnc2)cc1 ZINC000068853830 370854427 /nfs/dbraw/zinc/85/44/27/370854427.db2.gz SZMURKYDDWOHDE-AWEZNQCLSA-N 0 0 228.295 2.229 10 0 BEAERN CC(C)c1nnc(CN2CCCC[C@@H]2C)n1C ZINC000195011534 367332465 /nfs/dbraw/zinc/33/24/65/367332465.db2.gz DJQGJEMGHCHORG-NSHDSACASA-N 0 0 236.363 2.313 10 0 BEAERN CC(C)c1nnc(CN(C(C)C)C2CC2)n1C ZINC000195059049 367333813 /nfs/dbraw/zinc/33/38/13/367333813.db2.gz SJBOIRPTNHPILX-UHFFFAOYSA-N 0 0 236.363 2.311 10 0 BEAERN c1cnc(NCc2ccc3c(c2)CCCN3)nc1 ZINC000381457132 367409768 /nfs/dbraw/zinc/40/97/68/367409768.db2.gz ICSBRLXRCNEORA-UHFFFAOYSA-N 0 0 240.310 2.447 10 0 BEAERN CC(F)(F)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000382278328 367502346 /nfs/dbraw/zinc/50/23/46/367502346.db2.gz IJTDAFAOPXYDJI-IWSPIJDZSA-N 0 0 219.275 2.045 10 0 BEAERN CCOC(=O)[C@H](C)C(=O)Nc1ccccc1CC ZINC000527391728 367998677 /nfs/dbraw/zinc/99/86/77/367998677.db2.gz MYELHZZDILSYBL-SNVBAGLBSA-N 0 0 249.310 2.387 10 0 BEAERN C[C@@H]1SCCS[C@H]1[C@H](O)C1CCC1 ZINC000161342786 368137204 /nfs/dbraw/zinc/13/72/04/368137204.db2.gz GTKLCBWHLFNASW-FXBDTBDDSA-N 0 0 218.387 2.385 10 0 BEAERN COc1cc2c(c(C)c1)NC(=O)C2(C)C ZINC000038416856 368252444 /nfs/dbraw/zinc/25/24/44/368252444.db2.gz XHKJBYFKLWRGFP-UHFFFAOYSA-N 0 0 205.257 2.233 10 0 BEAERN CCC[C@@H](O)[C@@H]1OC(=O)c2ccccc21 ZINC000038221124 368323655 /nfs/dbraw/zinc/32/36/55/368323655.db2.gz CGGIFHMDATVTCI-GHMZBOCLSA-N 0 0 206.241 2.059 10 0 BEAERN CC[S@@](=O)c1cccc(-c2ccccn2)n1 ZINC000035654015 368323667 /nfs/dbraw/zinc/32/36/67/368323667.db2.gz SOTBPMMJNICFER-INIZCTEOSA-N 0 0 232.308 2.271 10 0 BEAERN COC(=O)c1cc(Cl)c2cc(N)ccc2n1 ZINC000199824198 368308141 /nfs/dbraw/zinc/30/81/41/368308141.db2.gz HQSBTIDTDXNQES-UHFFFAOYSA-N 0 0 236.658 2.257 10 0 BEAERN O=C(Cc1ccnc2ncccc12)c1ccccn1 ZINC000038327962 368326661 /nfs/dbraw/zinc/32/66/61/368326661.db2.gz HGGLHXPFGBYPFP-UHFFFAOYSA-N 0 0 249.273 2.450 10 0 BEAERN CCOC(=O)C[C@H]1CCc2ccc(N)cc2C1 ZINC000038976827 368328082 /nfs/dbraw/zinc/32/80/82/368328082.db2.gz IWPMLVBCNDVQAB-JTQLQIEISA-N 0 0 233.311 2.327 10 0 BEAERN Cc1c(CO)c(CO)c(C)n1-c1ccccc1 ZINC000039219041 368329036 /nfs/dbraw/zinc/32/90/36/368329036.db2.gz LAEAWLIEYBFXDH-UHFFFAOYSA-N 0 0 231.295 2.079 10 0 BEAERN CCOC(=O)c1noc2ccc(OC)cc21 ZINC000103303335 368340494 /nfs/dbraw/zinc/34/04/94/368340494.db2.gz DVOJWCYPWIMAHF-UHFFFAOYSA-N 0 0 221.212 2.013 10 0 BEAERN Cc1nc2cc(-c3ccccc3)[nH]c2c(N)n1 ZINC000166069921 368352221 /nfs/dbraw/zinc/35/22/21/368352221.db2.gz KLNDFOKLEWBQJN-UHFFFAOYSA-N 0 0 224.267 2.467 10 0 BEAERN COC(=O)C[C@@H]1c2ccc(O)cc2OC[C@H]1C ZINC000201083764 368354194 /nfs/dbraw/zinc/35/41/94/368354194.db2.gz VWPALTJCUVEPOG-KCJUWKMLSA-N 0 0 236.267 2.067 10 0 BEAERN CCOC(=O)c1cnc(C(C)=O)c(Cl)c1 ZINC000222609305 368360908 /nfs/dbraw/zinc/36/09/08/368360908.db2.gz FKONNDVONXFZOL-UHFFFAOYSA-N 0 0 227.647 2.114 10 0 BEAERN O=C=N[C@@H](Cl)c1ccc(Cl)nc1 ZINC000224579635 368366011 /nfs/dbraw/zinc/36/60/11/368366011.db2.gz SNOMKXQSWGTTPA-SSDOTTSWSA-N 0 0 203.028 2.308 10 0 BEAERN Cc1[nH]nc2[nH]c3cc(Cl)ccc3c(=O)c12 ZINC000048523205 368377406 /nfs/dbraw/zinc/37/74/06/368377406.db2.gz ONZFHEJRNGUVGM-UHFFFAOYSA-N 0 0 233.658 2.366 10 0 BEAERN CSc1cnnn1-c1ccc(C)cc1 ZINC000048546624 368378226 /nfs/dbraw/zinc/37/82/26/368378226.db2.gz VIVXUUINMZIKTB-UHFFFAOYSA-N 0 0 205.286 2.298 10 0 BEAERN Cc1ccc(S(=O)(=O)c2cccc(N)c2)cc1 ZINC000059740959 368379552 /nfs/dbraw/zinc/37/95/52/368379552.db2.gz CPONLQKIAXFJBV-UHFFFAOYSA-N 0 0 247.319 2.410 10 0 BEAERN O=C(CC1CCOCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253199695 368612538 /nfs/dbraw/zinc/61/25/38/368612538.db2.gz WRROCJAYHUHJIW-ZSBIGDGJSA-N 0 0 208.301 2.418 10 0 BEAERN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[nH]1 ZINC000109062790 368613968 /nfs/dbraw/zinc/61/39/68/368613968.db2.gz MYTSGBHWLLYISB-NEPJUHHUSA-N 0 0 241.294 2.460 10 0 BEAERN CC(C)(C)C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000066992112 368672291 /nfs/dbraw/zinc/67/22/91/368672291.db2.gz IJKHNQPJNFYWSH-UHFFFAOYSA-N 0 0 221.348 2.355 10 0 BEAERN N=C(NO)c1ccsc1C(F)(F)F ZINC000584880283 368858454 /nfs/dbraw/zinc/85/84/54/368858454.db2.gz WLRPHGBVBBKAHI-UHFFFAOYSA-N 0 0 210.180 2.071 10 0 BEAERN Cc1ccc(CC(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000112249361 368868547 /nfs/dbraw/zinc/86/85/47/368868547.db2.gz RWGAXECJJWBQKP-LLVKDONJSA-N 0 0 234.343 2.483 10 0 BEAERN CSCCC(=O)N[C@H](C)C(C)(C)C ZINC000112250337 368869084 /nfs/dbraw/zinc/86/90/84/368869084.db2.gz YPRUDBYYLKBDPV-MRVPVSSYSA-N 0 0 203.351 2.290 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)C(C)(C)C)n1C ZINC000112308020 368869514 /nfs/dbraw/zinc/86/95/14/368869514.db2.gz UZZNNHQJXQRPCR-SNVBAGLBSA-N 0 0 222.332 2.498 10 0 BEAERN C[C@@H](NC(=O)c1ccc2n[nH]nc2c1)C(C)(C)C ZINC000112307697 368869916 /nfs/dbraw/zinc/86/99/16/368869916.db2.gz YUDJPVLUXGMIAF-MRVPVSSYSA-N 0 0 246.314 2.122 10 0 BEAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1)C(C)(C)C ZINC000112307933 368869938 /nfs/dbraw/zinc/86/99/38/368869938.db2.gz ZGLQNLUCQZCEEM-SNVBAGLBSA-N 0 0 248.326 2.176 10 0 BEAERN CC(C)CCS(=O)(=O)N[C@H](C)C(C)(C)C ZINC000112363544 368871167 /nfs/dbraw/zinc/87/11/67/368871167.db2.gz YSVHKIWROVBJIG-SNVBAGLBSA-N 0 0 235.393 2.387 10 0 BEAERN CCCCN(CCO)C(=O)N[C@H](C)C(C)(C)C ZINC000112462490 368871947 /nfs/dbraw/zinc/87/19/47/368871947.db2.gz PGDQMJCUIIAJFI-LLVKDONJSA-N 0 0 244.379 2.225 10 0 BEAERN CCC(O)(CC)CNC(=O)N[C@H](C)C(C)(C)C ZINC000112463716 368873448 /nfs/dbraw/zinc/87/34/48/368873448.db2.gz IGUDFMVOVVKSCY-SNVBAGLBSA-N 0 0 244.379 2.271 10 0 BEAERN Cc1cc(C(=O)NCC=Cc2ccccc2)[nH]n1 ZINC000112671667 368874668 /nfs/dbraw/zinc/87/46/68/368874668.db2.gz GNQFIMZSAFYICH-VMPITWQZSA-N 0 0 241.294 2.161 10 0 BEAERN CCOCCc1c[nH]c2cc(N)ccc12 ZINC000088259895 368908717 /nfs/dbraw/zinc/90/87/17/368908717.db2.gz SKRJZZSNDMLDLB-UHFFFAOYSA-N 0 0 204.273 2.329 10 0 BEAERN O=c1occc2cc(OC[C@H]3CCCO3)ccc21 ZINC000115050844 368970526 /nfs/dbraw/zinc/97/05/26/368970526.db2.gz QGQWMIGHXFADMD-GFCCVEGCSA-N 0 0 246.262 2.351 10 0 BEAERN COc1cc(CCCCCO)cc(OC)c1 ZINC000115118220 368974469 /nfs/dbraw/zinc/97/44/69/368974469.db2.gz IJTAGKZHQOCIIZ-UHFFFAOYSA-N 0 0 224.300 2.409 10 0 BEAERN CCOC(=O)C(C)(C)Oc1ccc(Cl)nc1 ZINC000114217005 368930645 /nfs/dbraw/zinc/93/06/45/368930645.db2.gz SMHDLZWOZWPVMH-UHFFFAOYSA-N 0 0 243.690 2.456 10 0 BEAERN Nc1ccc(OCc2ccccc2)c(NC=O)c1 ZINC000114267978 368930812 /nfs/dbraw/zinc/93/08/12/368930812.db2.gz NREOEEXTMPOADS-UHFFFAOYSA-N 0 0 242.278 2.416 10 0 BEAERN CN1CC=C(c2ncc[nH]2)c2ccccc21 ZINC000114549195 368943615 /nfs/dbraw/zinc/94/36/15/368943615.db2.gz WKNFKUGXAUOXMZ-UHFFFAOYSA-N 0 0 211.268 2.291 10 0 BEAERN CCN(CC)C(=O)[C@@H](N=C=S)C(C)(C)C ZINC000090449374 368982424 /nfs/dbraw/zinc/98/24/24/368982424.db2.gz CDJCAKODSXWDRB-SECBINFHSA-N 0 0 228.361 2.372 10 0 BEAERN CC(C)(C)OC(=O)C1CCC2(CC1)OCCO2 ZINC000117181947 368956446 /nfs/dbraw/zinc/95/64/46/368956446.db2.gz OWXRKKKYCNVYBZ-UHFFFAOYSA-N 0 0 242.315 2.261 10 0 BEAERN CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000006043294 369031523 /nfs/dbraw/zinc/03/15/23/369031523.db2.gz AVQDACOFTDAGII-NWDGAFQWSA-N 0 0 203.285 2.316 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1ccc(F)cc1 ZINC000115354061 368989854 /nfs/dbraw/zinc/98/98/54/368989854.db2.gz GFBQTPGTHDCGSS-SNVBAGLBSA-N 0 0 249.241 2.101 10 0 BEAERN COC(=O)[C@@H](O)c1csc2ccccc21 ZINC000054465942 369071793 /nfs/dbraw/zinc/07/17/93/369071793.db2.gz ONXQHVFLOUNCDZ-JTQLQIEISA-N 0 0 222.265 2.108 10 0 BEAERN Cc1ccc([C@H](C[NH3+])NCc2ccccc2)o1 ZINC000106024210 369077173 /nfs/dbraw/zinc/07/71/73/369077173.db2.gz KMNTUYARFLOHAE-ZDUSSCGKSA-N 0 0 230.311 2.378 10 0 BEAERN Cc1ccc([C@@H](C[NH3+])NCc2ccccc2)o1 ZINC000106024207 369077632 /nfs/dbraw/zinc/07/76/32/369077632.db2.gz KMNTUYARFLOHAE-CYBMUJFWSA-N 0 0 230.311 2.378 10 0 BEAERN C[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)C1CCC1 ZINC000457568731 203075933 /nfs/dbraw/zinc/07/59/33/203075933.db2.gz DVALJKHBNXKXSR-CYZMBNFOSA-N 0 0 239.359 2.090 10 0 BEAERN CN1CCOC[C@H]1c1cncc2ccccc21 ZINC000616600686 369100709 /nfs/dbraw/zinc/10/07/09/369100709.db2.gz HQGQWMIQHIEPER-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@@H]1CCCO)C1CCC1 ZINC000457671420 203088061 /nfs/dbraw/zinc/08/80/61/203088061.db2.gz ODLIKAHOMUVMHD-DGCLKSJQSA-N 0 0 239.359 2.186 10 0 BEAERN COc1ccccc1[C@@H]1CN(C(C)=O)CCCO1 ZINC000616677970 369110342 /nfs/dbraw/zinc/11/03/42/369110342.db2.gz AHNZGEUFGGLJOK-AWEZNQCLSA-N 0 0 249.310 2.005 10 0 BEAERN CC(=O)N1CCCO[C@H](c2ccc(F)cc2)C1 ZINC000616682242 369110876 /nfs/dbraw/zinc/11/08/76/369110876.db2.gz WPGFSKFRVXMPSM-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN CSC[C@@H](O)c1ccc(F)c(F)c1 ZINC000055237298 369156648 /nfs/dbraw/zinc/15/66/48/369156648.db2.gz MXUYZRGJGUALRM-SECBINFHSA-N 0 0 204.241 2.361 10 0 BEAERN CC[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000055276284 369173049 /nfs/dbraw/zinc/17/30/49/369173049.db2.gz KWGPWUSFBNQAOU-JTQLQIEISA-N 0 0 249.310 2.136 10 0 BEAERN CN[C@@H](c1nccs1)c1nc(C)cs1 ZINC000161503567 369187121 /nfs/dbraw/zinc/18/71/21/369187121.db2.gz BNMKPCIAQOWAOT-ZETCQYMHSA-N 0 0 225.342 2.217 10 0 BEAERN O=C(NCc1cccc(Cl)c1)n1ccnc1 ZINC000055464282 369250317 /nfs/dbraw/zinc/25/03/17/369250317.db2.gz VZAYTJSIYUTLPM-UHFFFAOYSA-N 0 0 235.674 2.294 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)CC1CCOCC1 ZINC000156724411 326240619 /nfs/dbraw/zinc/24/06/19/326240619.db2.gz RNVPCRJEBVJGKX-LLVKDONJSA-N 0 0 242.363 2.099 10 0 BEAERN COc1c(F)cc(NC(=O)CSC)cc1F ZINC000055947157 369347796 /nfs/dbraw/zinc/34/77/96/369347796.db2.gz KJPAMXDYQPNDJN-UHFFFAOYSA-N 0 0 247.266 2.275 10 0 BEAERN CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250227058 369496521 /nfs/dbraw/zinc/49/65/21/369496521.db2.gz KOWSDPQNPYSMFF-CLLJXQQHSA-N 0 0 245.322 2.397 10 0 BEAERN O=C(Cc1ccc(Cl)nc1)Nc1ccccn1 ZINC000110616023 369888617 /nfs/dbraw/zinc/88/86/17/369888617.db2.gz OEFOIXIJSWWQIA-UHFFFAOYSA-N 0 0 247.685 2.311 10 0 BEAERN CC[C@H]1CC[C@H](C(=O)NC2CC(CO)C2)CC1 ZINC000620882677 370038732 /nfs/dbraw/zinc/03/87/32/370038732.db2.gz YPEHTQSUFKNUKS-RUXNMCCTSA-N 0 0 239.359 2.090 10 0 BEAERN CC[C@H](C(=O)NC1CC(CO)C1)c1ccccc1 ZINC000620886895 370042867 /nfs/dbraw/zinc/04/28/67/370042867.db2.gz JVFAAWMZSQFBRE-UBHUBRDASA-N 0 0 247.338 2.067 10 0 BEAERN C[C@H](CC(=O)NC1CC(CO)C1)CC(C)(C)C ZINC000620886585 370042953 /nfs/dbraw/zinc/04/29/53/370042953.db2.gz DZUMPZPVDHYTNE-VOMCLLRMSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000075517678 370141583 /nfs/dbraw/zinc/14/15/83/370141583.db2.gz WRPYIWOLHYITHL-CABZTGNLSA-N 0 0 233.286 2.382 10 0 BEAERN CC[C@@H](CSC)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253028945 370146794 /nfs/dbraw/zinc/14/67/94/370146794.db2.gz PRRLHDRTOUAZGM-VLEAKVRGSA-N 0 0 227.373 2.290 10 0 BEAERN C[C@H]1CC[C@H](O)CN1Cc1cncc(Cl)c1 ZINC000621302373 370231802 /nfs/dbraw/zinc/23/18/02/370231802.db2.gz AVTYQJMSQVQNAY-CABZTGNLSA-N 0 0 240.734 2.080 10 0 BEAERN Cc1nc([C@H](C)NCc2nccnc2C)cs1 ZINC000621334610 370268175 /nfs/dbraw/zinc/26/81/75/370268175.db2.gz MCLGFJKSJBUYOP-VIFPVBQESA-N 0 0 248.355 2.401 10 0 BEAERN CSCCCCNC(=O)N[C@H](C)C(C)C ZINC000077338425 370411551 /nfs/dbraw/zinc/41/15/51/370411551.db2.gz IKSVYYOSRYMIHY-SNVBAGLBSA-N 0 0 232.393 2.473 10 0 BEAERN O=C(c1csnn1)c1ccc(Cl)s1 ZINC000161585460 370482222 /nfs/dbraw/zinc/48/22/22/370482222.db2.gz ILLCALXOOGRXNB-UHFFFAOYSA-N 0 0 230.701 2.484 10 0 BEAERN NCc1nnc(-c2ccc(Cl)cc2)s1 ZINC000057517192 181504711 /nfs/dbraw/zinc/50/47/11/181504711.db2.gz NTKOVDPQKZIZJD-UHFFFAOYSA-N 0 0 225.704 2.317 10 0 BEAERN C[C@H]1CCS[C@@H](c2cncs2)N1 ZINC000161611746 370603055 /nfs/dbraw/zinc/60/30/55/370603055.db2.gz JVFUESDXKXMOIN-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN Nc1cnc(OCc2ccccc2)s1 ZINC000215332974 370603283 /nfs/dbraw/zinc/60/32/83/370603283.db2.gz UEDQXTCOQXVNIC-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN NC(=O)c1cccc(-c2cnc(Cl)o2)c1 ZINC000208812046 370575234 /nfs/dbraw/zinc/57/52/34/370575234.db2.gz HMVXLHWHUUZNJF-UHFFFAOYSA-N 0 0 222.631 2.094 10 0 BEAERN CC(C)[C@H](C)NC(=O)N(C)[C@H](C)C1CC1 ZINC000079122179 370625288 /nfs/dbraw/zinc/62/52/88/370625288.db2.gz LTMHTAOUVXDZNJ-VHSXEESVSA-N 0 0 212.337 2.471 10 0 BEAERN NNc1ccc(Oc2cccnc2)cc1 ZINC000143229432 181519328 /nfs/dbraw/zinc/51/93/28/181519328.db2.gz BFBTUAUPJJBROZ-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN N[C@H](c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000036893111 181635620 /nfs/dbraw/zinc/63/56/20/181635620.db2.gz XCUNFKRBDCRRDB-SNVBAGLBSA-N 0 0 241.216 2.434 10 0 BEAERN Nc1cc(C(=O)N2C[C@@H]3CC[C@H]2C3)n(C2CC2)c1 ZINC000049715820 181678146 /nfs/dbraw/zinc/67/81/46/181678146.db2.gz YOCYFJMCISFRCN-SKDRFNHKSA-N 0 0 245.326 2.030 10 0 BEAERN Nc1cc(C(=O)OC2CCC2)c(F)cc1F ZINC000050929314 181679502 /nfs/dbraw/zinc/67/95/02/181679502.db2.gz PFJWXCBDTWEJCO-UHFFFAOYSA-N 0 0 227.210 2.256 10 0 BEAERN Nc1cc(F)ccc1SCCn1cccn1 ZINC000049314755 181688272 /nfs/dbraw/zinc/68/82/72/181688272.db2.gz ORWDFANBYFNVRV-UHFFFAOYSA-N 0 0 237.303 2.397 10 0 BEAERN Nc1cc2c(cc1OC1CCC1)CCC(=O)N2 ZINC000050519036 181692190 /nfs/dbraw/zinc/69/21/90/181692190.db2.gz OGFCBYFGBAUEOD-UHFFFAOYSA-N 0 0 232.283 2.085 10 0 BEAERN Nc1ccc(F)cc1-c1nnc2ccccn21 ZINC000019483610 181711966 /nfs/dbraw/zinc/71/19/66/181711966.db2.gz GGGISCDURNSSKF-UHFFFAOYSA-N 0 0 228.230 2.118 10 0 BEAERN Nc1cccc(Cl)c1N1CCCOCC1 ZINC000061916858 181744416 /nfs/dbraw/zinc/74/44/16/181744416.db2.gz YUEYKCYVTUPCQR-UHFFFAOYSA-N 0 0 226.707 2.149 10 0 BEAERN Nc1cccc(Cl)c1NC[C@@H]1CCOC1 ZINC000061146673 181744665 /nfs/dbraw/zinc/74/46/65/181744665.db2.gz QREGTXNFYKBJEU-QMMMGPOBSA-N 0 0 226.707 2.371 10 0 BEAERN Nc1ccc(OC[C@@H]2CCCO2)c2ncccc12 ZINC000035060241 181722685 /nfs/dbraw/zinc/72/26/85/181722685.db2.gz WYPMSDYGQMSXJM-JTQLQIEISA-N 0 0 244.294 2.375 10 0 BEAERN Nc1ccc(SCc2cnccn2)cc1 ZINC000035286892 181725010 /nfs/dbraw/zinc/72/50/10/181725010.db2.gz VPQMCIPDKKLSII-UHFFFAOYSA-N 0 0 217.297 2.351 10 0 BEAERN Nc1ccnn1Cc1c(F)cccc1Cl ZINC000019689147 181765819 /nfs/dbraw/zinc/76/58/19/181765819.db2.gz SJZYGTUTJODTFM-UHFFFAOYSA-N 0 0 225.654 2.306 10 0 BEAERN Nc1ccsc1C(=O)Nc1cccc(O)c1 ZINC000040495233 181767228 /nfs/dbraw/zinc/76/72/28/181767228.db2.gz QXHIHFUOZPPBBJ-UHFFFAOYSA-N 0 0 234.280 2.288 10 0 BEAERN Nc1cnc(NCc2ccccn2)c(Cl)c1 ZINC000082551634 181767618 /nfs/dbraw/zinc/76/76/18/181767618.db2.gz IYVOSCNOCRVWCG-UHFFFAOYSA-N 0 0 234.690 2.324 10 0 BEAERN Nc1cnccc1Sc1ncccc1F ZINC000054701169 181770812 /nfs/dbraw/zinc/77/08/12/181770812.db2.gz RYEBZTIEGPKUPZ-UHFFFAOYSA-N 0 0 221.260 2.349 10 0 BEAERN Nc1ccccc1C(=O)Nc1ccc(O)cc1 ZINC000003141244 181753107 /nfs/dbraw/zinc/75/31/07/181753107.db2.gz KERVZQAGKXJJIF-UHFFFAOYSA-N 0 0 228.251 2.227 10 0 BEAERN CSC[C@H](C)Nc1ccnc(Cl)n1 ZINC000131071710 371553460 /nfs/dbraw/zinc/55/34/60/371553460.db2.gz PNFWEKMGHNTREI-LURJTMIESA-N 0 0 217.725 2.293 10 0 BEAERN Nc1ccnc(C(=O)Nc2cc(F)ccc2F)c1 ZINC000050695002 181762098 /nfs/dbraw/zinc/76/20/98/181762098.db2.gz AWSZOHXZEPMZAR-UHFFFAOYSA-N 0 0 249.220 2.194 10 0 BEAERN CCOc1ccc(CC(C)=O)cc1OC ZINC000002518666 371567027 /nfs/dbraw/zinc/56/70/27/371567027.db2.gz ADHCSWSBGUURFV-UHFFFAOYSA-N 0 0 208.257 2.225 10 0 BEAERN Nc1nc(-c2ccc(O)cc2)c(Cl)o1 ZINC000075619968 181775698 /nfs/dbraw/zinc/77/56/98/181775698.db2.gz KYBRCSCEIOOHRO-UHFFFAOYSA-N 0 0 210.620 2.283 10 0 BEAERN CON[C@H]1c2cccc(Cl)c2O[C@H]1C ZINC000131272126 371579864 /nfs/dbraw/zinc/57/98/64/371579864.db2.gz JTRKDNRVFBATJB-IMTBSYHQSA-N 0 0 213.664 2.313 10 0 BEAERN Nc1nc(-c2nc(Cl)ccc2Cl)ns1 ZINC000067173751 181776871 /nfs/dbraw/zinc/77/68/71/181776871.db2.gz ZFKGVDWGULQDCL-UHFFFAOYSA-N 0 0 247.110 2.489 10 0 BEAERN Brc1ccc(CC[C@H]2CO2)nc1 ZINC000161971305 371596118 /nfs/dbraw/zinc/59/61/18/371596118.db2.gz NDXQYWFCBMEEEZ-VIFPVBQESA-N 0 0 228.089 2.176 10 0 BEAERN Cc1cc(F)c(Br)cc1CO ZINC000215654397 371607909 /nfs/dbraw/zinc/60/79/09/371607909.db2.gz VVKRCQPBZXNRMZ-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Cc1cc(C=O)cc(O)c1Br ZINC000215752854 371625128 /nfs/dbraw/zinc/62/51/28/371625128.db2.gz ZCLUONWYVFHMQZ-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN CC(=O)c1ccc(Sc2n[nH]c(C)n2)o1 ZINC000131591054 371629040 /nfs/dbraw/zinc/62/90/40/371629040.db2.gz SOAGATIFMQLESB-UHFFFAOYSA-N 0 0 223.257 2.060 10 0 BEAERN C[C@@H](C(=O)Nc1cncc(Cl)n1)C1CC1 ZINC000162214291 371630953 /nfs/dbraw/zinc/63/09/53/371630953.db2.gz DRPVLVAKGONTOY-ZCFIWIBFSA-N 0 0 225.679 2.115 10 0 BEAERN COc1c(C)ccc(Br)c1N ZINC000215835886 371642153 /nfs/dbraw/zinc/64/21/53/371642153.db2.gz XZACKZCMLOYTJC-UHFFFAOYSA-N 0 0 216.078 2.348 10 0 BEAERN Nc1nc(Cl)c(Br)nc1Cl ZINC000095935683 181782555 /nfs/dbraw/zinc/78/25/55/181782555.db2.gz XNMDHWGZTPXFNH-UHFFFAOYSA-N 0 0 242.891 2.128 10 0 BEAERN COc1cc(O)c(OC)c(C(F)(F)F)c1 ZINC000215933864 371660877 /nfs/dbraw/zinc/66/08/77/371660877.db2.gz CWPDELACZVQREM-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN C[C@H](CO)Sc1c(F)cc(N)cc1F ZINC000162357083 371663610 /nfs/dbraw/zinc/66/36/10/371663610.db2.gz MXASYDMGBNXCFC-RXMQYKEDSA-N 0 0 219.256 2.020 10 0 BEAERN Cc1cc(F)cc(-c2nc(N)ns2)c1 ZINC000131906585 371709583 /nfs/dbraw/zinc/70/95/83/371709583.db2.gz GMFJQWCNVYHWHJ-UHFFFAOYSA-N 0 0 209.249 2.235 10 0 BEAERN CCOc1nc(NN)c(Cl)cc1Cl ZINC000226653605 371717594 /nfs/dbraw/zinc/71/75/94/371717594.db2.gz OOTOGONBOQNELI-UHFFFAOYSA-N 0 0 222.075 2.073 10 0 BEAERN Nc1ncc2sc(Br)cc2n1 ZINC000072188057 181799575 /nfs/dbraw/zinc/79/95/75/181799575.db2.gz ODFGRQISYFXGDQ-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN Nc1nccc(Nc2cccc(Cl)c2)n1 ZINC000003633590 181799660 /nfs/dbraw/zinc/79/96/60/181799660.db2.gz DEXXTSDSAGXBAR-UHFFFAOYSA-N 0 0 220.663 2.456 10 0 BEAERN Cc1nc(Br)cc(OC(C)C)n1 ZINC000162618160 371729855 /nfs/dbraw/zinc/72/98/55/371729855.db2.gz YXFDKKSCZQLLMZ-UHFFFAOYSA-N 0 0 231.093 2.335 10 0 BEAERN ON[C@H]1CCc2cc(Br)ccc2C1 ZINC000131983133 371730436 /nfs/dbraw/zinc/73/04/36/371730436.db2.gz VPKNVERKYAOTPT-JTQLQIEISA-N 0 0 242.116 2.285 10 0 BEAERN CCC1CCN(c2ncc(N)s2)CC1 ZINC000226732724 371732228 /nfs/dbraw/zinc/73/22/28/371732228.db2.gz DMZQHXGXWUYHDB-UHFFFAOYSA-N 0 0 211.334 2.352 10 0 BEAERN COc1cccc([C@H](N)C(F)F)c1F ZINC000226551155 371697017 /nfs/dbraw/zinc/69/70/17/371697017.db2.gz BYTGKLZWRBSGRD-QMMMGPOBSA-N 0 0 205.179 2.099 10 0 BEAERN C[C@]1(c2ccc(Br)o2)CO1 ZINC000131855152 371698154 /nfs/dbraw/zinc/69/81/54/371698154.db2.gz HXZGQJUTTDLPDA-SSDOTTSWSA-N 0 0 203.035 2.288 10 0 BEAERN Nc1nc2c(ncc3ccccc23)s1 ZINC000238594985 181790964 /nfs/dbraw/zinc/79/09/64/181790964.db2.gz DRSNWIFPQOZJSZ-UHFFFAOYSA-N 0 0 201.254 2.427 10 0 BEAERN Cc1cc(Cl)c(NCC(N)=O)cc1Cl ZINC000132127911 371755633 /nfs/dbraw/zinc/75/56/33/371755633.db2.gz RKCZZTJLFKUIKR-UHFFFAOYSA-N 0 0 233.098 2.199 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)s2)[C@@H](C)CO1 ZINC000226899972 371755693 /nfs/dbraw/zinc/75/56/93/371755693.db2.gz FZOBWULBKKJWMR-DTWKUNHWSA-N 0 0 225.313 2.174 10 0 BEAERN CC(C)[C@@H]1CO[C@H]2c3ccccc3C(=O)N12 ZINC000029390898 371755893 /nfs/dbraw/zinc/75/58/93/371755893.db2.gz CIFJRLVDQGKMIV-AAEUAGOBSA-N 0 0 217.268 2.196 10 0 BEAERN Cc1cc(CNO)ccc1Br ZINC000132192225 371763386 /nfs/dbraw/zinc/76/33/86/371763386.db2.gz YCKGWUPUMLEZRN-UHFFFAOYSA-N 0 0 216.078 2.236 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)Nc1cnccc1Cl ZINC000227105737 371785052 /nfs/dbraw/zinc/78/50/52/371785052.db2.gz XAZOLCQSFANXMJ-RNFRBKRXSA-N 0 0 210.664 2.330 10 0 BEAERN COc1ccc([C@H](C)NO)cc1Br ZINC000132026435 371742965 /nfs/dbraw/zinc/74/29/65/371742965.db2.gz BFRXYZWAAAMKQY-LURJTMIESA-N 0 0 246.104 2.498 10 0 BEAERN [NH3+][C@@H](c1cscn1)C1CCSCC1 ZINC000401706828 371800691 /nfs/dbraw/zinc/80/06/91/371800691.db2.gz QZAURDVUGQRAIK-SECBINFHSA-N 0 0 214.359 2.286 10 0 BEAERN CC(=O)c1c(O)c(F)ccc1Br ZINC000216746680 371800753 /nfs/dbraw/zinc/80/07/53/371800753.db2.gz DPYKXRQAGUVCSI-UHFFFAOYSA-N 0 0 233.036 2.496 10 0 BEAERN CC(C)[C@H](O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC000227252960 371817713 /nfs/dbraw/zinc/81/77/13/371817713.db2.gz DTAZMFMRLBFDIR-WOPDTQHZSA-N 0 0 200.322 2.455 10 0 BEAERN CCCCNC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000132481639 371834919 /nfs/dbraw/zinc/83/49/19/371834919.db2.gz SRIBPXCIOFFZKF-NEPJUHHUSA-N 0 0 240.347 2.140 10 0 BEAERN Nc1nncc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000032209483 181815614 /nfs/dbraw/zinc/81/56/14/181815614.db2.gz QTWHOZZLUMYSBF-UHFFFAOYSA-N 0 0 241.081 2.428 10 0 BEAERN COc1cccc(-n2nc(C)c(C)c2N)c1 ZINC000162775129 371847174 /nfs/dbraw/zinc/84/71/74/371847174.db2.gz SDPGPNCWJXBTFV-UHFFFAOYSA-N 0 0 217.272 2.080 10 0 BEAERN Cc1nc(C[C@@H]([NH3+])c2ccco2)cs1 ZINC000057495424 371851049 /nfs/dbraw/zinc/85/10/49/371851049.db2.gz QZGVZOZYERRKSW-SECBINFHSA-N 0 0 208.286 2.287 10 0 BEAERN C[C@H]1CCO[C@H]1c1nc(Cl)ns1 ZINC000230114044 371853865 /nfs/dbraw/zinc/85/38/65/371853865.db2.gz YSVUGNIZSVIOOT-CRCLSJGQSA-N 0 0 204.682 2.289 10 0 BEAERN CC[C@H]1CCN(C(=O)C(C)(C)Br)C1 ZINC000162858175 371868502 /nfs/dbraw/zinc/86/85/02/371868502.db2.gz HWKSHUUSOADNEZ-QMMMGPOBSA-N 0 0 248.164 2.418 10 0 BEAERN C[C@@H]1SCCN(c2nccnc2Cl)[C@H]1C ZINC000132602620 371869932 /nfs/dbraw/zinc/86/99/32/371869932.db2.gz FUWQGLQTOGKMML-YUMQZZPRSA-N 0 0 243.763 2.460 10 0 BEAERN C[C@H]1SCCN(c2nccnc2Cl)[C@@H]1C ZINC000132602834 371870070 /nfs/dbraw/zinc/87/00/70/371870070.db2.gz FUWQGLQTOGKMML-HTQZYQBOSA-N 0 0 243.763 2.460 10 0 BEAERN O=c1c(Cl)c(Cl)cnn1Cc1ccco1 ZINC000162914345 371884252 /nfs/dbraw/zinc/88/42/52/371884252.db2.gz QREKTOLNSAPUCG-UHFFFAOYSA-N 0 0 245.065 2.191 10 0 BEAERN CC(=O)Nc1nc2ccccc2nc1Cl ZINC000003272334 371939883 /nfs/dbraw/zinc/93/98/83/371939883.db2.gz BNTIXRAWDRWQFG-UHFFFAOYSA-N 0 0 221.647 2.242 10 0 BEAERN Cc1nc(COc2cccnc2)cs1 ZINC000163014493 371911627 /nfs/dbraw/zinc/91/16/27/371911627.db2.gz ZPDGNETXQZZDQZ-UHFFFAOYSA-N 0 0 206.270 2.426 10 0 BEAERN Fc1cc(NCCc2cscn2)ccn1 ZINC000227644258 371912993 /nfs/dbraw/zinc/91/29/93/371912993.db2.gz BXDPNCZYNRRIOD-UHFFFAOYSA-N 0 0 223.276 2.332 10 0 BEAERN Fc1cc(NCC2CCOCC2)ccn1 ZINC000227644218 371913078 /nfs/dbraw/zinc/91/30/78/371913078.db2.gz BMQLJSWRDVRRFY-UHFFFAOYSA-N 0 0 210.252 2.059 10 0 BEAERN CC1CN(c2cc(Br)ccn2)C1 ZINC000227654850 371916609 /nfs/dbraw/zinc/91/66/09/371916609.db2.gz PXFSVWWCQAWOBM-UHFFFAOYSA-N 0 0 227.105 2.300 10 0 BEAERN O=C(C=Cc1ccc(Cl)cc1)Nc1nc[nH]n1 ZINC000005750159 181836680 /nfs/dbraw/zinc/83/66/80/181836680.db2.gz MFTWOYHZFJGGAB-ZZXKWVIFSA-N 0 0 248.673 2.110 10 0 BEAERN CC[C@](O)(CO)c1ccc(Br)cc1 ZINC000132776417 371920123 /nfs/dbraw/zinc/92/01/23/371920123.db2.gz FSKLVMOIGVLWMS-JTQLQIEISA-N 0 0 245.116 2.039 10 0 BEAERN Cc1cncc(C(=O)[C@@]2(C)CCCO2)c1 ZINC000227949462 371962674 /nfs/dbraw/zinc/96/26/74/371962674.db2.gz SOWWDTWOBVQCMS-GFCCVEGCSA-N 0 0 205.257 2.142 10 0 BEAERN Cc1csc2nc(C3CC3)c(C=O)n12 ZINC000228026794 371977463 /nfs/dbraw/zinc/97/74/63/371977463.db2.gz FPCRIPBKDGYMNL-UHFFFAOYSA-N 0 0 206.270 2.394 10 0 BEAERN CCc1ccsc1C1N=NC(=S)N1C ZINC000228195752 372002487 /nfs/dbraw/zinc/00/24/87/372002487.db2.gz IYXXBGBDBWBXEP-UHFFFAOYSA-N 0 0 225.342 2.395 10 0 BEAERN CCc1ccc(C2N=NC(=S)N2C)s1 ZINC000228197612 372002670 /nfs/dbraw/zinc/00/26/70/372002670.db2.gz OGSAKYWJNNFGLM-UHFFFAOYSA-N 0 0 225.342 2.395 10 0 BEAERN CCN1C(=S)N=NC1c1ccc(C)o1 ZINC000228198123 372002710 /nfs/dbraw/zinc/00/27/10/372002710.db2.gz OQYQEMITYFAUKA-UHFFFAOYSA-N 0 0 209.274 2.155 10 0 BEAERN CONCc1ccc(Br)c(F)c1 ZINC000132908624 371947217 /nfs/dbraw/zinc/94/72/17/371947217.db2.gz RLEAAXHPSGOYMW-UHFFFAOYSA-N 0 0 234.068 2.239 10 0 BEAERN Nc1ccc(Cl)nc1Sc1ncns1 ZINC000228451294 372031102 /nfs/dbraw/zinc/03/11/02/372031102.db2.gz BGRNHTVAQJHFLC-UHFFFAOYSA-N 0 0 244.732 2.320 10 0 BEAERN CCON(C)c1cc(Br)ccc1N ZINC000306561451 372036234 /nfs/dbraw/zinc/03/62/34/372036234.db2.gz BVADQNABAMWQBZ-UHFFFAOYSA-N 0 0 245.120 2.419 10 0 BEAERN C[C@H](N[C@@H]1C[C@H]2CC=C[C@@H]21)C(F)(F)F ZINC000306601267 372044170 /nfs/dbraw/zinc/04/41/70/372044170.db2.gz UIZWUCYROXIMMU-UYXSQOIJSA-N 0 0 205.223 2.491 10 0 BEAERN C[C@H](N[C@@H]1C[C@H]2CC=C[C@H]21)C(F)(F)F ZINC000306601265 372044837 /nfs/dbraw/zinc/04/48/37/372044837.db2.gz UIZWUCYROXIMMU-JQCXWYLXSA-N 0 0 205.223 2.491 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cnc(Br)cn1 ZINC000306631324 372046738 /nfs/dbraw/zinc/04/67/38/372046738.db2.gz NGVQPXHKKLVCDX-RITPCOANSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@H](O)C1CCN(C/C(Cl)=C/Cl)CC1 ZINC000218019191 372046870 /nfs/dbraw/zinc/04/68/70/372046870.db2.gz FWLKHAHFNIUSOX-KZSPTFSBSA-N 0 0 238.158 2.398 10 0 BEAERN C[C@@H](O)C1CCN(C/C(Cl)=C/Cl)CC1 ZINC000218019091 372047702 /nfs/dbraw/zinc/04/77/02/372047702.db2.gz FWLKHAHFNIUSOX-NDVARNPJSA-N 0 0 238.158 2.398 10 0 BEAERN CCc1cccnc1C(=O)c1cscn1 ZINC000306637012 372048720 /nfs/dbraw/zinc/04/87/20/372048720.db2.gz AZDPXHHUZRJKDU-UHFFFAOYSA-N 0 0 218.281 2.332 10 0 BEAERN C[C@@H]1C[C@H]1C1N=NC(=S)N1C(C)(C)C ZINC000228210643 372004621 /nfs/dbraw/zinc/00/46/21/372004621.db2.gz XBTOCRYAEWGJBA-RNFRBKRXSA-N 0 0 211.334 2.445 10 0 BEAERN CC(C)(C)n1c(C(F)F)n[nH]c1=S ZINC000228210093 372004845 /nfs/dbraw/zinc/00/48/45/372004845.db2.gz DNKCVLLVNIDETE-UHFFFAOYSA-N 0 0 207.249 2.259 10 0 BEAERN CC(C)n1cnnc1C(F)(F)C(F)F ZINC000228227101 372006252 /nfs/dbraw/zinc/00/62/52/372006252.db2.gz UCUNRZJYLZSFRF-UHFFFAOYSA-N 0 0 211.162 2.216 10 0 BEAERN CC[C@H]1CN(c2ncc(C=O)s2)CCS1 ZINC000133221795 372007859 /nfs/dbraw/zinc/00/78/59/372007859.db2.gz ONIHEVDWDIAUQA-QMMMGPOBSA-N 0 0 242.369 2.287 10 0 BEAERN O=c1cc(NCc2ccccc2)nc(C2CC2)[nH]1 ZINC000163563339 372012101 /nfs/dbraw/zinc/01/21/01/372012101.db2.gz ZMZVCBHHHBCUKG-UHFFFAOYSA-N 0 0 241.294 2.259 10 0 BEAERN COC[C@@H](C)c1nc(C)c(C)c(Cl)n1 ZINC000163575732 372014121 /nfs/dbraw/zinc/01/41/21/372014121.db2.gz MCRFKIQZNRYWNA-ZCFIWIBFSA-N 0 0 214.696 2.497 10 0 BEAERN CC1(C)CN(c2c(N)cncc2Cl)C1 ZINC000307330198 372111663 /nfs/dbraw/zinc/11/16/63/372111663.db2.gz NAIHXLNWGIBIIZ-UHFFFAOYSA-N 0 0 211.696 2.163 10 0 BEAERN O=C1NCCC[C@@H]1CCc1ccsc1 ZINC000133789354 372111896 /nfs/dbraw/zinc/11/18/96/372111896.db2.gz YADIPQRAFRXALM-SNVBAGLBSA-N 0 0 209.314 2.207 10 0 BEAERN C[C@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000307333481 372112688 /nfs/dbraw/zinc/11/26/88/372112688.db2.gz BIOCPUMDDVIFKZ-VIFPVBQESA-N 0 0 225.723 2.362 10 0 BEAERN FC1(F)CCC[C@@H]1n1cnnc1Cl ZINC000307348659 372113796 /nfs/dbraw/zinc/11/37/96/372113796.db2.gz RGDCEPBJZFHFHU-YFKPBYRVSA-N 0 0 207.611 2.292 10 0 BEAERN O=C1NCCC[C@H]1Cc1ccc(Cl)s1 ZINC000133798593 372114239 /nfs/dbraw/zinc/11/42/39/372114239.db2.gz CELXTWRXKKEXAP-ZETCQYMHSA-N 0 0 229.732 2.470 10 0 BEAERN Cc1cnc(Cl)cc1O[C@@H]1CCOC1 ZINC000133505315 372065755 /nfs/dbraw/zinc/06/57/55/372065755.db2.gz QVRPLQQVMVPEDT-MRVPVSSYSA-N 0 0 213.664 2.211 10 0 BEAERN C[C@@H](c1cncs1)n1ncc(Cl)c1N ZINC000229138073 372122540 /nfs/dbraw/zinc/12/25/40/372122540.db2.gz GEFSAHBHRIMDRV-YFKPBYRVSA-N 0 0 228.708 2.185 10 0 BEAERN C[C@H]1C[C@@]1(O)c1ncccc1Br ZINC000231807117 372080491 /nfs/dbraw/zinc/08/04/91/372080491.db2.gz YBVABGXYXQMCNM-RCOVLWMOSA-N 0 0 228.089 2.072 10 0 BEAERN Cc1cc(C)c(C)c2c1[C@@H](CCO)CO2 ZINC000606302903 372091984 /nfs/dbraw/zinc/09/19/84/372091984.db2.gz AZFJWPFDPPAPST-NSHDSACASA-N 0 0 206.285 2.470 10 0 BEAERN CC[C@H](NN)c1cccc(Cl)c1F ZINC000228972150 372099682 /nfs/dbraw/zinc/09/96/82/372099682.db2.gz GJLXBUTUTABHGW-QMMMGPOBSA-N 0 0 202.660 2.394 10 0 BEAERN O[C@H](c1coc(Br)c1)c1ccc[nH]1 ZINC000307759878 372143936 /nfs/dbraw/zinc/14/39/36/372143936.db2.gz UJFCFLPTCDIRDU-SECBINFHSA-N 0 0 242.072 2.452 10 0 BEAERN CC(C)(O)C(=O)c1ccc(Cl)s1 ZINC000232577766 372146884 /nfs/dbraw/zinc/14/68/84/372146884.db2.gz WJACLRKGFJRAPX-UHFFFAOYSA-N 0 0 204.678 2.355 10 0 BEAERN CN(C)N[C@H]1CSCc2ccccc21 ZINC000134209932 372181403 /nfs/dbraw/zinc/18/14/03/372181403.db2.gz OKYQZPUFJAXNCX-NSHDSACASA-N 0 0 208.330 2.041 10 0 BEAERN Cc1c(Cl)ncnc1N[C@]1(C)CCOC1 ZINC000229486369 372156611 /nfs/dbraw/zinc/15/66/11/372156611.db2.gz PLPXWRWTOXEMLV-SNVBAGLBSA-N 0 0 227.695 2.029 10 0 BEAERN Cc1sccc1[C@@H](O)[C@H](O)C(C)C ZINC000232723411 372156699 /nfs/dbraw/zinc/15/66/99/372156699.db2.gz TYOLQOWVHLWPJF-NXEZZACHSA-N 0 0 200.303 2.107 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@]1(C)CCOC1 ZINC000229492959 372157584 /nfs/dbraw/zinc/15/75/84/372157584.db2.gz GXNIKFSRDWIQTN-SNVBAGLBSA-N 0 0 229.711 2.190 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@@]1(C)CCOC1 ZINC000229492953 372158180 /nfs/dbraw/zinc/15/81/80/372158180.db2.gz GXNIKFSRDWIQTN-JTQLQIEISA-N 0 0 229.711 2.190 10 0 BEAERN Oc1ccc2ncc(N[C@@H]3CCOC3)cc2c1 ZINC000218844390 372159714 /nfs/dbraw/zinc/15/97/14/372159714.db2.gz ZOEDWXLMYPPWDX-SNVBAGLBSA-N 0 0 230.267 2.141 10 0 BEAERN Cc1ccc(N)c(NC(=O)C(F)(F)F)c1 ZINC000229559736 372165528 /nfs/dbraw/zinc/16/55/28/372165528.db2.gz XOCASPIHEMLRIU-UHFFFAOYSA-N 0 0 218.178 2.078 10 0 BEAERN Cc1ccccc1[C@H](NN)C(F)(F)Cl ZINC000229805284 372195652 /nfs/dbraw/zinc/19/56/52/372195652.db2.gz OCHHTBLVHKHZGG-QMMMGPOBSA-N 0 0 220.650 2.331 10 0 BEAERN CCc1ccc(C[C@@H]2CCC(=O)N2)s1 ZINC000134319901 372196112 /nfs/dbraw/zinc/19/61/12/372196112.db2.gz HQVSPCSGSWUKJV-QMMMGPOBSA-N 0 0 209.314 2.132 10 0 BEAERN Cc1ccc(C)c(OCC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000171059487 372283314 /nfs/dbraw/zinc/28/33/14/372283314.db2.gz ORWAKZXJHJAPRV-NWDGAFQWSA-N 0 0 233.311 2.207 10 0 BEAERN Nc1c[nH]c2cc(Br)ccc2c1=O ZINC000140028577 372382838 /nfs/dbraw/zinc/38/28/38/372382838.db2.gz FCKFIHYKANMCKZ-UHFFFAOYSA-N 0 0 239.072 2.285 10 0 BEAERN O=C(CCO)c1cc(Br)cs1 ZINC000071545237 181919246 /nfs/dbraw/zinc/91/92/46/181919246.db2.gz LONKRKHLRKAVOO-UHFFFAOYSA-N 0 0 235.102 2.076 10 0 BEAERN CC(=O)OCC(=O)c1ccccc1Cl ZINC000140304923 372566106 /nfs/dbraw/zinc/56/61/06/372566106.db2.gz FVPDGYGSHDQTJL-UHFFFAOYSA-N 0 0 212.632 2.086 10 0 BEAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cn[nH]c1 ZINC000035237643 182022714 /nfs/dbraw/zinc/02/27/14/182022714.db2.gz QMKZLKUPKKDFJG-AEJSXWLSSA-N 0 0 219.288 2.175 10 0 BEAERN CC(C)[C@H](C)NC(=O)NC[C@H](O)CC(C)(C)C ZINC000172279775 372926805 /nfs/dbraw/zinc/92/68/05/372926805.db2.gz UOAIOLVAJUCSLN-WDEREUQCSA-N 0 0 244.379 2.127 10 0 BEAERN CCCCNc1nc(Cl)nc(C)c1N ZINC000039287034 372930606 /nfs/dbraw/zinc/93/06/06/372930606.db2.gz GLLDJVCQCRSQSO-UHFFFAOYSA-N 0 0 214.700 2.233 10 0 BEAERN O=C(Cc1ccc(Cl)cc1)N1CCCO1 ZINC000125412684 182034411 /nfs/dbraw/zinc/03/44/11/182034411.db2.gz XXUQTZNUOHMLIA-UHFFFAOYSA-N 0 0 225.675 2.046 10 0 BEAERN O=C(Cc1ccccc1O)N1CCC2(CC2)CC1 ZINC000377603919 182046021 /nfs/dbraw/zinc/04/60/21/182046021.db2.gz WHTGPAIUOXWPKX-UHFFFAOYSA-N 0 0 245.322 2.337 10 0 BEAERN C[C@@H](Cc1ncc[nH]1)O[C@H]1C[C@H](C)CCC1=O ZINC000428190184 373012458 /nfs/dbraw/zinc/01/24/58/373012458.db2.gz XMRDPOXURYNPMM-SCVCMEIPSA-N 0 0 236.315 2.115 10 0 BEAERN O=C(Cc1ccncc1)OCc1ccccc1 ZINC000034544434 182055813 /nfs/dbraw/zinc/05/58/13/182055813.db2.gz HGIBSZNFSJTSOV-UHFFFAOYSA-N 0 0 227.263 2.368 10 0 BEAERN O=C(Cc1ccoc1)N[C@H]1COc2ccccc21 ZINC000121675112 182056437 /nfs/dbraw/zinc/05/64/37/182056437.db2.gz NOTOWVOQQROMSF-LBPRGKRZSA-N 0 0 243.262 2.072 10 0 BEAERN Cc1nccc(/C=C(\C(C)C)[N+](=O)[O-])n1 ZINC000379702766 373047317 /nfs/dbraw/zinc/04/73/17/373047317.db2.gz VJGUGKXWJUDHNP-UXBLZVDNSA-N 0 0 207.233 2.059 10 0 BEAERN COCC(C)(C)OC(=O)Oc1ccccn1 ZINC000142247490 373116357 /nfs/dbraw/zinc/11/63/57/373116357.db2.gz DMZNGJMPGOVJCR-UHFFFAOYSA-N 0 0 225.244 2.022 10 0 BEAERN O=C(Cn1ccnc1)c1cc(Cl)ccc1O ZINC000039348463 182071026 /nfs/dbraw/zinc/07/10/26/182071026.db2.gz XBGOJDYCSPCOPX-UHFFFAOYSA-N 0 0 236.658 2.125 10 0 BEAERN CCc1ccc(-c2c[nH]c(C=O)n2)cc1 ZINC000068945586 373097146 /nfs/dbraw/zinc/09/71/46/373097146.db2.gz XHGCMYGGYUCLLL-UHFFFAOYSA-N 0 0 200.241 2.452 10 0 BEAERN CC(=O)c1ccccc1-c1nccn1C ZINC000069028029 373107932 /nfs/dbraw/zinc/10/79/32/373107932.db2.gz XKROJWARQSYOGH-UHFFFAOYSA-N 0 0 200.241 2.290 10 0 BEAERN CCOc1cc2oc(=O)cc(C)c2cc1N ZINC000040166120 373114422 /nfs/dbraw/zinc/11/44/22/373114422.db2.gz MULRQGLTAXAUSV-UHFFFAOYSA-N 0 0 219.240 2.082 10 0 BEAERN C[C@@H](O)c1cc2cccc3c2n(c1=O)CCC3 ZINC000040165798 373114981 /nfs/dbraw/zinc/11/49/81/373114981.db2.gz ZSHOKKLFQRYFKO-SECBINFHSA-N 0 0 229.279 2.001 10 0 BEAERN CC(C)[C@H]1CC[C@H](C)C[C@]12OC[C@H](CO)O2 ZINC000035855397 205464585 /nfs/dbraw/zinc/46/45/85/205464585.db2.gz ZBJCYZPANVLBRK-WUHRBBMRSA-N 0 0 228.332 2.183 10 0 in-vitro BEAERN CC(=O)O[C@@H]1CCCc2cc(C)cnc21 ZINC000039213580 205466204 /nfs/dbraw/zinc/46/62/04/205466204.db2.gz RPDAFZMUVCBGSA-LLVKDONJSA-N 0 0 205.257 2.331 10 0 BEAERN CN(Cc1ccco1)c1cc(Cl)ncn1 ZINC000040431986 373262571 /nfs/dbraw/zinc/26/25/71/373262571.db2.gz ACXZSYUZJCNXJM-UHFFFAOYSA-N 0 0 223.663 2.359 10 0 BEAERN O=C(NC1CC1)c1ccccc1NCC1CC1 ZINC000127627655 182100967 /nfs/dbraw/zinc/10/09/67/182100967.db2.gz DHGZTPIAAQAJME-UHFFFAOYSA-N 0 0 230.311 2.401 10 0 BEAERN O=C(NC1CC1)c1cnc(Cl)c(Cl)c1 ZINC000015587139 182102288 /nfs/dbraw/zinc/10/22/88/182102288.db2.gz SPJSOPSTCRLQLC-UHFFFAOYSA-N 0 0 231.082 2.281 10 0 BEAERN O=C(NC1CCC1)OCc1ccccc1 ZINC000084670663 182105572 /nfs/dbraw/zinc/10/55/72/182105572.db2.gz GFOJYKFOVFNOFL-UHFFFAOYSA-N 0 0 205.257 2.465 10 0 BEAERN O=C(NC1CCC1)N[C@H]1CCc2ccccc2C1 ZINC000134461182 182105722 /nfs/dbraw/zinc/10/57/22/182105722.db2.gz SEBFPLWIAUBGKQ-AWEZNQCLSA-N 0 0 244.338 2.396 10 0 BEAERN O=C(NC1CCCC1)[C@H]1C[C@H]1c1ccco1 ZINC000049374162 182110138 /nfs/dbraw/zinc/11/01/38/182110138.db2.gz JQEFRXHLVTZONC-MNOVXSKESA-N 0 0 219.284 2.442 10 0 BEAERN O=C(NC1CCCC1)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000005382481 182110394 /nfs/dbraw/zinc/11/03/94/182110394.db2.gz QILTXGAQJHOBPF-UMNHJUIQSA-N 0 0 207.317 2.481 10 0 BEAERN O=C(CNC(=O)c1ccc(F)cc1)c1ccco1 ZINC000039652236 182122506 /nfs/dbraw/zinc/12/25/06/182122506.db2.gz CKXVLNAVTFVHEB-UHFFFAOYSA-N 0 0 247.225 2.031 10 0 BEAERN C[C@H](NC(=O)NCC1(C)CCC1)[C@H]1CCCO1 ZINC000176632918 205591599 /nfs/dbraw/zinc/59/15/99/205591599.db2.gz RFOSKJKOVGQVTH-WDEREUQCSA-N 0 0 240.347 2.043 10 0 BEAERN COC(=O)[C@@H](N)Cc1cccc(Cl)c1Cl ZINC000069554673 373458962 /nfs/dbraw/zinc/45/89/62/373458962.db2.gz MOCAUOFZWPSBOG-QMMMGPOBSA-N 0 0 248.109 2.036 10 0 BEAERN O=C(NCC1CC1)N[C@H]1CCOc2ccccc21 ZINC000045126460 182138111 /nfs/dbraw/zinc/13/81/11/182138111.db2.gz ZKYQMEFKWYAOKQ-LBPRGKRZSA-N 0 0 246.310 2.219 10 0 BEAERN O=Cc1cc(Cl)ccc1O[C@H]1CCOC1 ZINC000069622944 373545244 /nfs/dbraw/zinc/54/52/44/373545244.db2.gz MJPGPWNMSCECLJ-JTQLQIEISA-N 0 0 226.659 2.320 10 0 BEAERN CCCCNC(=O)N(C)[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000003171071 168848217 /nfs/dbraw/zinc/84/82/17/168848217.db2.gz FXSHPYPGPUDCLF-QJPTWQEYSA-N 0 0 222.332 2.393 10 0 BEAERN O=C(NCC1CCCCC1)c1ncccc1O ZINC000037760692 182148046 /nfs/dbraw/zinc/14/80/46/182148046.db2.gz ZAZZUOWWFXVBSP-UHFFFAOYSA-N 0 0 234.299 2.097 10 0 BEAERN COC(=O)Cc1cc(OC(F)F)ccc1F ZINC000380892754 373606722 /nfs/dbraw/zinc/60/67/22/373606722.db2.gz PKMUKNNZSSJHTI-UHFFFAOYSA-N 0 0 234.173 2.143 10 0 BEAERN COC(=O)[C@H](C)Cc1ccccc1OC ZINC000009280751 373769210 /nfs/dbraw/zinc/76/92/10/373769210.db2.gz VVDUVBHTZSLDAX-SECBINFHSA-N 0 0 208.257 2.047 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C(=O)CC(C)(C)C1CC1 ZINC000633871728 373831307 /nfs/dbraw/zinc/83/13/07/373831307.db2.gz PPORJLYZGBWVTB-ZYHUDNBSSA-N 0 0 239.359 2.185 10 0 BEAERN CCC[C@@H]1C[C@](N)(C(F)(F)F)CCO1 ZINC000069899946 373973649 /nfs/dbraw/zinc/97/36/49/373973649.db2.gz KABYYIVOPVSNOF-SFYZADRCSA-N 0 0 211.227 2.225 10 0 BEAERN CCC[C@H]1C[C@]2(CCO1)CC(=O)CCO2 ZINC000069900329 373974111 /nfs/dbraw/zinc/97/41/11/373974111.db2.gz QUJDJFLXQLNTKG-RYUDHWBXSA-N 0 0 212.289 2.084 10 0 BEAERN CCC[C@H]1C[C@@](O)(C(F)(F)F)CCO1 ZINC000069898449 373974214 /nfs/dbraw/zinc/97/42/14/373974214.db2.gz ZODOWAPXJZPYMC-JGVFFNPUSA-N 0 0 212.211 2.259 10 0 BEAERN O=C(Cc1ccccc1)NCc1nccs1 ZINC000041535648 374145128 /nfs/dbraw/zinc/14/51/28/374145128.db2.gz WMCABGXVWPGLSK-UHFFFAOYSA-N 0 0 232.308 2.002 10 0 BEAERN C=Cc1nc(Cc2ccc(F)cc2)no1 ZINC000070581048 374147762 /nfs/dbraw/zinc/14/77/62/374147762.db2.gz QQZODTOKCSKNHA-UHFFFAOYSA-N 0 0 204.204 2.443 10 0 BEAERN Cc1cccc(Cc2nc(N)ns2)c1 ZINC000070839367 374198777 /nfs/dbraw/zinc/19/87/77/374198777.db2.gz GMEPOJKTYIDMIU-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000246225244 374212182 /nfs/dbraw/zinc/21/21/82/374212182.db2.gz RDOYTDCIQZVNLU-ZNSHCXBVSA-N 0 0 210.321 2.273 10 0 BEAERN C[C@H]1C[C@@](O)(CCC(F)(F)F)CCO1 ZINC000070917414 374229904 /nfs/dbraw/zinc/22/99/04/374229904.db2.gz DVEIAJGGDYLSHF-JGVFFNPUSA-N 0 0 212.211 2.259 10 0 BEAERN C[C@@H](O)CCc1occc1Br ZINC000070770207 374189346 /nfs/dbraw/zinc/18/93/46/374189346.db2.gz ZHDYOPSOTHUCEJ-ZCFIWIBFSA-N 0 0 219.078 2.356 10 0 BEAERN CC(=O)OCC(=O)c1c(C)cccc1C ZINC000382684457 374256034 /nfs/dbraw/zinc/25/60/34/374256034.db2.gz DKBOFIBROLDFEW-UHFFFAOYSA-N 0 0 206.241 2.049 10 0 BEAERN Cn1cc(Sc2nsnc2Cl)cn1 ZINC000042406341 374267898 /nfs/dbraw/zinc/26/78/98/374267898.db2.gz QLQJPCKRRHPEJV-UHFFFAOYSA-N 0 0 232.721 2.076 10 0 BEAERN Cc1cnc(Sc2cncc(Cl)n2)nc1 ZINC000042404744 374269384 /nfs/dbraw/zinc/26/93/84/374269384.db2.gz IVDSVOOSBGHQNJ-UHFFFAOYSA-N 0 0 238.703 2.380 10 0 BEAERN CC(C)Oc1cc2c(cc1C=O)OCO2 ZINC000042875575 374295162 /nfs/dbraw/zinc/29/51/62/374295162.db2.gz ZKNRTXIOVUAFOD-UHFFFAOYSA-N 0 0 208.213 2.015 10 0 BEAERN COC[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246621245 374281393 /nfs/dbraw/zinc/28/13/93/374281393.db2.gz GGMJPGAUEMSQSN-QNWHQSFQSA-N 0 0 239.359 2.449 10 0 BEAERN O=C(NN1CCCCC1)OCc1ccccc1 ZINC000015771254 182276894 /nfs/dbraw/zinc/27/68/94/182276894.db2.gz RARCRVJUYCOHBA-UHFFFAOYSA-N 0 0 234.299 2.314 10 0 BEAERN O=C(N[C@@H]1CCC12CCCC2)[C@H]1CCCCO1 ZINC000336515951 182292283 /nfs/dbraw/zinc/29/22/83/182292283.db2.gz MPWDONAVLYGTBM-VXGBXAGGSA-N 0 0 237.343 2.395 10 0 BEAERN O=C(N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000007218545 182306957 /nfs/dbraw/zinc/30/69/57/182306957.db2.gz SCYQFNVPBRGLFQ-LLVKDONJSA-N 0 0 217.268 2.036 10 0 BEAERN O=C(N[C@@H]1CCc2ccccc2C1)N1CCCC1 ZINC000133895665 182312095 /nfs/dbraw/zinc/31/20/95/182312095.db2.gz FUTLUYLIOYWJTG-CQSZACIVSA-N 0 0 244.338 2.349 10 0 BEAERN O=C(N[C@H]1CCC12CCCC2)C1CCOCC1 ZINC000336599002 182326922 /nfs/dbraw/zinc/32/69/22/182326922.db2.gz OSRLBWMAVZOYJL-LBPRGKRZSA-N 0 0 237.343 2.252 10 0 BEAERN O=C(N[C@H]1CCCc2ccccc21)C1(O)CCC1 ZINC000184586860 182334845 /nfs/dbraw/zinc/33/48/45/182334845.db2.gz WYEHMMRCYQCMTR-ZDUSSCGKSA-N 0 0 245.322 2.095 10 0 BEAERN O=C(N[C@H]1COc2ccccc21)C1CC=CC1 ZINC000119719207 182342295 /nfs/dbraw/zinc/34/22/95/182342295.db2.gz DPEIYLDSCFSFEC-LBPRGKRZSA-N 0 0 229.279 2.203 10 0 BEAERN O=C(Nc1ncc[nH]1)c1ccc2[nH]ccc2c1 ZINC000111727690 182399183 /nfs/dbraw/zinc/39/91/83/182399183.db2.gz CWEFTQJEYFUDRD-UHFFFAOYSA-N 0 0 226.239 2.143 10 0 BEAERN O=C(Nc1cnccn1)c1c[nH]c2ccccc12 ZINC000035175890 182395054 /nfs/dbraw/zinc/39/50/54/182395054.db2.gz KTFAWFNHORNARX-UHFFFAOYSA-N 0 0 238.250 2.210 10 0 BEAERN O=C([O-])C1(c2ccccc2)CC[NH+](C2CC2)CC1 ZINC000071559839 182426118 /nfs/dbraw/zinc/42/61/18/182426118.db2.gz NYOYYYPPOZPIML-UHFFFAOYSA-N 0 0 245.322 2.267 10 0 BEAERN O=C([O-])C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000036723264 182465824 /nfs/dbraw/zinc/46/58/24/182465824.db2.gz SMNIJCNWHCUUPD-UHFFFAOYSA-N 0 0 233.311 2.387 10 0 BEAERN O=C([O-])[C@@H]([NH2+]C1CCCCC1)c1ccc(O)cc1 ZINC000037971784 182502376 /nfs/dbraw/zinc/50/23/76/182502376.db2.gz SWURQPXJIXJTGQ-ZDUSSCGKSA-N 0 0 249.310 2.440 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000037183657 182527236 /nfs/dbraw/zinc/52/72/36/182527236.db2.gz RFATVEOHWCWZKZ-SNVBAGLBSA-N 0 0 225.675 2.218 10 0 BEAERN O=C([O-])[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000008698865 182533931 /nfs/dbraw/zinc/53/39/31/182533931.db2.gz LWQZLYKNHGMXSX-WDEREUQCSA-N 0 0 239.340 2.481 10 0 BEAERN O=C(OCc1ccccc1)N1CCCC[C@H](O)C1 ZINC000097757654 182605417 /nfs/dbraw/zinc/60/54/17/182605417.db2.gz ADANQYYHJVOFNG-ZDUSSCGKSA-N 0 0 249.310 2.170 10 0 BEAERN O=C(c1c[nH]c2ccccc12)[C@H]1NCCS1 ZINC000043157581 182647360 /nfs/dbraw/zinc/64/73/60/182647360.db2.gz SURDVZOOMUUFOX-LBPRGKRZSA-N 0 0 232.308 2.013 10 0 BEAERN O=C(c1ccc2c(c1)CCCC2)N1CCCO1 ZINC000125401278 182666063 /nfs/dbraw/zinc/66/60/63/182666063.db2.gz IPDCFKOWMQCWSJ-UHFFFAOYSA-N 0 0 231.295 2.343 10 0 BEAERN O=C(c1ccoc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113891443 182691780 /nfs/dbraw/zinc/69/17/80/182691780.db2.gz UNHHHMFPNWAWNX-LBPRGKRZSA-N 0 0 245.282 2.370 10 0 BEAERN CCOC(=O)[C@@H](C)Nc1cccc(OC)c1 ZINC000037961350 170248460 /nfs/dbraw/zinc/24/84/60/170248460.db2.gz MSPLQANWNJRBDH-SECBINFHSA-N 0 0 223.272 2.059 10 0 BEAERN O=C1CCC2=C(CCc3c(F)cccc32)N1 ZINC000013861367 182725657 /nfs/dbraw/zinc/72/56/57/182725657.db2.gz HBMUZOKKGPWMJB-UHFFFAOYSA-N 0 0 217.243 2.393 10 0 BEAERN O=C1CCc2cc([C@H](O)CC3CC3)ccc2N1 ZINC000049731791 182756262 /nfs/dbraw/zinc/75/62/62/182756262.db2.gz YGPNZBHBBSEDKS-CYBMUJFWSA-N 0 0 231.295 2.405 10 0 BEAERN O=C1CCN(C/C=C/c2ccccc2)CC1 ZINC000019442384 182740648 /nfs/dbraw/zinc/74/06/48/182740648.db2.gz QMJNAXWNLFYXCR-QPJJXVBHSA-N 0 0 215.296 2.365 10 0 BEAERN O=C1CCN(C2CC2)C(=O)N1C1CCCCC1 ZINC000037606530 182741133 /nfs/dbraw/zinc/74/11/33/182741133.db2.gz STIVFIXUPATUDC-UHFFFAOYSA-N 0 0 236.315 2.136 10 0 BEAERN CCCCOCCNc1ccc(C(N)=O)cc1 ZINC000049261887 168904058 /nfs/dbraw/zinc/90/40/58/168904058.db2.gz WPGFJMVFBKKDDX-UHFFFAOYSA-N 0 0 236.315 2.014 10 0 BEAERN O=C1C[C@H](C(F)(F)F)N1c1ccccc1 ZINC000095930774 182782732 /nfs/dbraw/zinc/78/27/32/182782732.db2.gz YDWIZERZNJJYAW-MRVPVSSYSA-N 0 0 215.174 2.354 10 0 BEAERN CCOC(=O)[C@H](NCC1CC1)C1CCCCC1 ZINC000037968200 170277048 /nfs/dbraw/zinc/27/70/48/170277048.db2.gz YVZMKKZVGRIEBZ-CYBMUJFWSA-N 0 0 239.359 2.498 10 0 BEAERN O=C1[C@H]2CC=C[C@H]2C12SCCCS2 ZINC000062721352 182841665 /nfs/dbraw/zinc/84/16/65/182841665.db2.gz ILBNYWIDXMMFEI-JGVFFNPUSA-N 0 0 212.339 2.328 10 0 BEAERN O=C1c2ccccc2CC[C@H]1n1ccnc1 ZINC000021994617 182846003 /nfs/dbraw/zinc/84/60/03/182846003.db2.gz GQRADTVKEIYYAK-GFCCVEGCSA-N 0 0 212.252 2.253 10 0 BEAERN O=Cc1nc(Br)ccc1Cl ZINC000095642416 182875289 /nfs/dbraw/zinc/87/52/89/182875289.db2.gz BRTKQMGHLDUCSM-UHFFFAOYSA-N 0 0 220.453 2.310 10 0 BEAERN CCCCOc1c(OC)cc(CO)cc1OC ZINC000035663175 168915853 /nfs/dbraw/zinc/91/58/53/168915853.db2.gz KBHQRFRQRWQOEF-UHFFFAOYSA-N 0 0 240.299 2.375 10 0 BEAERN O=c1cc(Cl)c2cccc3c2n1CC3 ZINC000034333667 182994679 /nfs/dbraw/zinc/99/46/79/182994679.db2.gz MTTWELMZVXZOGW-UHFFFAOYSA-N 0 0 205.644 2.211 10 0 BEAERN O=c1ccc2c(ccnc2-c2ccc(O)cc2)[nH]1 ZINC000013731323 183000874 /nfs/dbraw/zinc/00/08/74/183000874.db2.gz YUDVUOLTNNJZBT-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN CCCC[C@@H](CC)CNC(=O)NCC[C@@H](C)O ZINC000114818332 168957632 /nfs/dbraw/zinc/95/76/32/168957632.db2.gz CNJRFNKGTUPLIR-VXGBXAGGSA-N 0 0 244.379 2.273 10 0 BEAERN OC1(C2CC2)CN(Cc2ccc(Cl)s2)C1 ZINC000084376957 183015561 /nfs/dbraw/zinc/01/55/61/183015561.db2.gz BJNSZKXZRMDSIM-UHFFFAOYSA-N 0 0 243.759 2.358 10 0 BEAERN OC1(c2cnc3ccccn32)CCCCC1 ZINC000089200964 183023610 /nfs/dbraw/zinc/02/36/10/183023610.db2.gz FMTAJDSEZVESFA-UHFFFAOYSA-N 0 0 216.284 2.486 10 0 BEAERN OCC1(Nc2nccnc2Cl)CCCCC1 ZINC000053128408 183039958 /nfs/dbraw/zinc/03/99/58/183039958.db2.gz NTTUPEBBLHUBNT-UHFFFAOYSA-N 0 0 241.722 2.237 10 0 BEAERN OCC1(Nc2cccc(F)n2)CCCCC1 ZINC000053128399 183040099 /nfs/dbraw/zinc/04/00/99/183040099.db2.gz NITAYCQTJBBXTO-UHFFFAOYSA-N 0 0 224.279 2.328 10 0 BEAERN OCC1(Nc2ccnc(Cl)n2)CCCCC1 ZINC000053128380 183039822 /nfs/dbraw/zinc/03/98/22/183039822.db2.gz SFWCLAVKSGRYDJ-UHFFFAOYSA-N 0 0 241.722 2.237 10 0 BEAERN OCCCNc1ccccc1Br ZINC000041571340 183060414 /nfs/dbraw/zinc/06/04/14/183060414.db2.gz BOPXEHXZOWFFRO-UHFFFAOYSA-N 0 0 230.105 2.243 10 0 BEAERN OCCOc1nc(Cl)c(Cl)cc1Cl ZINC000143245740 183087789 /nfs/dbraw/zinc/08/77/89/183087789.db2.gz TYEPDBDVVRKFJP-UHFFFAOYSA-N 0 0 242.489 2.413 10 0 BEAERN OC[C@@H]1CCCCC[C@@H]1Nc1ccccn1 ZINC000301794386 183116516 /nfs/dbraw/zinc/11/65/16/183116516.db2.gz SOACWKKFDJCGNJ-RYUDHWBXSA-N 0 0 220.316 2.435 10 0 BEAERN OC[C@@H]1CCCN1c1ccnc2ccsc21 ZINC000266440256 183121377 /nfs/dbraw/zinc/12/13/77/183121377.db2.gz WAFUDTXEQIGKAA-VIFPVBQESA-N 0 0 234.324 2.257 10 0 BEAERN OCCc1ccc(NCC2CCOCC2)cc1 ZINC000052178624 183100379 /nfs/dbraw/zinc/10/03/79/183100379.db2.gz XCWBSYWPSBGFTQ-UHFFFAOYSA-N 0 0 235.327 2.060 10 0 BEAERN OCCc1csc(CCc2ccccc2)n1 ZINC000041261165 183101389 /nfs/dbraw/zinc/10/13/89/183101389.db2.gz XBULBKUZJCVHOF-UHFFFAOYSA-N 0 0 233.336 2.463 10 0 BEAERN OCCc1noc2ccc(Br)cc21 ZINC000031887515 183102095 /nfs/dbraw/zinc/10/20/95/183102095.db2.gz WGOZZRXICHQWGN-UHFFFAOYSA-N 0 0 242.072 2.125 10 0 BEAERN CCCC[C@H](NC1(C(C)C)CC1)C(=O)OC ZINC000339514297 169012024 /nfs/dbraw/zinc/01/20/24/169012024.db2.gz MZCOSFVEZFAZLF-NSHDSACASA-N 0 0 227.348 2.496 10 0 BEAERN CCCCc1ccc(-n2nnc(CO)c2C)cc1 ZINC000045892318 169020016 /nfs/dbraw/zinc/02/00/16/169020016.db2.gz POGMTQSEJFQSGI-UHFFFAOYSA-N 0 0 245.326 2.411 10 0 BEAERN OC[C@H](Nc1ccc(F)cc1)C1CCOCC1 ZINC000052179682 183143103 /nfs/dbraw/zinc/14/31/03/183143103.db2.gz VTPTYKYTJCACIJ-ZDUSSCGKSA-N 0 0 239.290 2.025 10 0 BEAERN CCCC[C@]1(O)OC(=O)C2=C1CCC=C2 ZINC000013380497 169015773 /nfs/dbraw/zinc/01/57/73/169015773.db2.gz JGIFAEPLZJPSHA-LBPRGKRZSA-N 0 0 208.257 2.069 10 0 biogenic,in-vitro BEAERN CCCC[C@]1(c2ccccc2)NC(=N)N(C)C1=O ZINC000039952046 169015977 /nfs/dbraw/zinc/01/59/77/169015977.db2.gz YTDYDRGEHHDZFH-CQSZACIVSA-N 0 0 245.326 2.068 10 0 BEAERN CCCC[C@]1(CC)COC(=O)[C@H]1N(C)C ZINC000039101662 169016233 /nfs/dbraw/zinc/01/62/33/169016233.db2.gz QSNAHENBSYMGGT-ZYHUDNBSSA-N 0 0 213.321 2.060 10 0 BEAERN OC[C@H]1CCCN1c1cccc(O)c1Cl ZINC000145820341 183151791 /nfs/dbraw/zinc/15/17/91/183151791.db2.gz CXROCNOZAXIEJM-MRVPVSSYSA-N 0 0 227.691 2.007 10 0 BEAERN OC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000011892874 183153470 /nfs/dbraw/zinc/15/34/70/183153470.db2.gz SUOGDPBDARALOL-VIFPVBQESA-N 0 0 211.692 2.159 10 0 BEAERN CCCCn1ncc(Br)c1N ZINC000043666307 169037876 /nfs/dbraw/zinc/03/78/76/169037876.db2.gz XXLAEDAKLVMJDQ-UHFFFAOYSA-N 0 0 218.098 2.028 10 0 BEAERN OC[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000143379214 183154186 /nfs/dbraw/zinc/15/41/86/183154186.db2.gz YOFCDBZOBQYVME-QMMMGPOBSA-N 0 0 219.259 2.404 10 0 BEAERN OCc1c[nH]c(-c2ccc(Cl)s2)n1 ZINC000062820563 183160010 /nfs/dbraw/zinc/16/00/10/183160010.db2.gz RLSDIUFYOBVIAI-UHFFFAOYSA-N 0 0 214.677 2.284 10 0 BEAERN OCc1c[nH]c(-c2ccnc3ccccc32)n1 ZINC000104383915 183160346 /nfs/dbraw/zinc/16/03/46/183160346.db2.gz SLZBYPYSRARJNZ-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN OCc1c(Br)ccc2cccnc21 ZINC000095929746 183160562 /nfs/dbraw/zinc/16/05/62/183160562.db2.gz IKWABIOHHHVZIK-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1c(Cl)nc2c(Cl)cc(F)cn12 ZINC000082694108 183160795 /nfs/dbraw/zinc/16/07/95/183160795.db2.gz OMTADHXRUQXPOV-UHFFFAOYSA-N 0 0 235.045 2.273 10 0 BEAERN CCCN(C(=O)c1cc(N)cnc1C)C(C)C ZINC000038095080 169046765 /nfs/dbraw/zinc/04/67/65/169046765.db2.gz INPFYTQHFOLGOJ-UHFFFAOYSA-N 0 0 235.331 2.233 10 0 BEAERN O[C@@H](Cc1ccccc1F)c1cccnc1 ZINC000037464772 183183874 /nfs/dbraw/zinc/18/38/74/183183874.db2.gz BYDKJCUHBNUNMH-ZDUSSCGKSA-N 0 0 217.243 2.497 10 0 BEAERN OCc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2)cc1 ZINC000072236184 183166057 /nfs/dbraw/zinc/16/60/57/183166057.db2.gz VVVIJNBBLQDQAF-XRGAULLZSA-N 0 0 241.334 2.437 10 0 BEAERN OCc1ccc(NCc2ccc[nH]2)cc1 ZINC000083343780 183166148 /nfs/dbraw/zinc/16/61/48/183166148.db2.gz RTVFBFIOQBILHY-UHFFFAOYSA-N 0 0 202.257 2.119 10 0 BEAERN OCc1ccc(NCc2ccc(O)cc2)cc1 ZINC000083356654 183166312 /nfs/dbraw/zinc/16/63/12/183166312.db2.gz JFLPTQHFCGTVKA-UHFFFAOYSA-N 0 0 229.279 2.497 10 0 BEAERN OCc1cccc(N[C@H]2CCCSC2)c1 ZINC000061576913 183168030 /nfs/dbraw/zinc/16/80/30/183168030.db2.gz XEBJYIYZTDDHQG-LBPRGKRZSA-N 0 0 223.341 2.486 10 0 BEAERN OCc1cnc(C2(c3ccccc3)CC2)nc1 ZINC000062782299 183169616 /nfs/dbraw/zinc/16/96/16/183169616.db2.gz XEHJPBKCZYOIMV-UHFFFAOYSA-N 0 0 226.279 2.049 10 0 BEAERN OCc1coc(Oc2ccccc2F)n1 ZINC000039321142 183170446 /nfs/dbraw/zinc/17/04/46/183170446.db2.gz FUZFPTYXZLKSCU-UHFFFAOYSA-N 0 0 209.176 2.098 10 0 BEAERN ON(Cc1ccccc1)Cc1ccccn1 ZINC000073170047 183172063 /nfs/dbraw/zinc/17/20/63/183172063.db2.gz WWOIKNYIKKVCIO-UHFFFAOYSA-N 0 0 214.268 2.473 10 0 BEAERN O[C@@H]1CCC[C@H]1Nc1ccc(F)cc1F ZINC000037689920 183197083 /nfs/dbraw/zinc/19/70/83/183197083.db2.gz DWLZDWSDYYWWOK-GHMZBOCLSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@@H]1CCOC[C@H]1Cc1cccc(Cl)c1 ZINC000095078339 183201704 /nfs/dbraw/zinc/20/17/04/183201704.db2.gz DLFADWLYHQWTNJ-ZYHUDNBSSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@@H](c1ccc2ncccc2c1)[C@@H]1CCOC1 ZINC000069051576 183185390 /nfs/dbraw/zinc/18/53/90/183185390.db2.gz TYWXLFDJIKGKSR-OCCSQVGLSA-N 0 0 229.279 2.305 10 0 BEAERN O[C@H](c1nc2cc[nH]cc-2n1)c1ccccc1 ZINC000005117379 183185777 /nfs/dbraw/zinc/18/57/77/183185777.db2.gz LIHMOKKEBXTQPH-LBPRGKRZSA-N 0 0 225.251 2.040 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1F ZINC000061095553 183195521 /nfs/dbraw/zinc/19/55/21/183195521.db2.gz ZNEAUVXMGUHAAP-WCBMZHEXSA-N 0 0 231.217 2.429 10 0 BEAERN CCCN(CC(=O)OC)C[C@H]1Cc2ccccc21 ZINC000090981409 169100392 /nfs/dbraw/zinc/10/03/92/169100392.db2.gz MMSJCFPWVKTKCZ-CYBMUJFWSA-N 0 0 247.338 2.211 10 0 BEAERN CCC[N@H+](C)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000051287573 169079348 /nfs/dbraw/zinc/07/93/48/169079348.db2.gz DSUYMWKUDWBOQK-CQSZACIVSA-N 0 0 235.327 2.371 10 0 BEAERN O[C@H](Cn1ccnc1)c1ccccc1Cl ZINC000039280667 183228750 /nfs/dbraw/zinc/22/87/50/183228750.db2.gz OBLBFDFNHBICDK-LLVKDONJSA-N 0 0 222.675 2.270 10 0 BEAERN O[C@@H](c1nc2c(s1)COCC2)c1ccccc1 ZINC000075870445 183229314 /nfs/dbraw/zinc/22/93/14/183229314.db2.gz OYPGWGDIMCKMIU-GFCCVEGCSA-N 0 0 247.319 2.298 10 0 BEAERN CCCN(C)c1c(N)ccc(F)c1F ZINC000053164713 169087906 /nfs/dbraw/zinc/08/79/06/169087906.db2.gz YNCYTAAFBCCTJM-UHFFFAOYSA-N 0 0 200.232 2.393 10 0 BEAERN O[C@H](c1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000050971620 183229586 /nfs/dbraw/zinc/22/95/86/183229586.db2.gz UDJKTQRJLKSPGK-UONOGXRCSA-N 0 0 234.295 2.224 10 0 BEAERN O[C@H](c1ccccc1)[C@H]1CC2CC[NH+]1CC2 ZINC000029489163 183229757 /nfs/dbraw/zinc/22/97/57/183229757.db2.gz PWPTXBISWPQFLV-ZIAGYGMSSA-N 0 0 217.312 2.204 10 0 BEAERN O[C@@H]1C[C@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415210 183211497 /nfs/dbraw/zinc/21/14/97/183211497.db2.gz LTCOYNNCHWPNEU-NOZJJQNGSA-N 0 0 232.258 2.312 10 0 BEAERN O[C@@H]1COCc2ccc(Br)cc21 ZINC000095932893 183212255 /nfs/dbraw/zinc/21/22/55/183212255.db2.gz NUQIXXRSWGBNBJ-SECBINFHSA-N 0 0 229.073 2.013 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ccc(F)c(F)c1F ZINC000037689754 183237858 /nfs/dbraw/zinc/23/78/58/183237858.db2.gz XUFHUNFVCYKUSK-APPZFPTMSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H]1CCc2[nH]nc(-c3ccccc3)c21 ZINC000072415214 183242075 /nfs/dbraw/zinc/24/20/75/183242075.db2.gz YNKYKJNMKSGOKR-JTQLQIEISA-N 0 0 200.241 2.056 10 0 BEAERN O[C@H]1COC[C@H]1Nc1cccc(Cl)c1Cl ZINC000037883733 183246674 /nfs/dbraw/zinc/24/66/74/183246674.db2.gz PIWKWTLLXQKNON-BDAKNGLRSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1C[C@H](c2ccco2)N(c2ccccc2)O1 ZINC000090716147 183249458 /nfs/dbraw/zinc/24/94/58/183249458.db2.gz KMEPCTWIFAEPJI-DGCLKSJQSA-N 0 0 231.251 2.481 10 0 BEAERN O[C@]1(c2ccccc2)CN=C2CCCCCN21 ZINC000073734336 183252989 /nfs/dbraw/zinc/25/29/89/183252989.db2.gz IIOGWDXFUHOFPX-AWEZNQCLSA-N 0 0 230.311 2.120 10 0 BEAERN O[C@H]1CCCC[C@H]1CNc1ncncc1Cl ZINC000163623506 183232190 /nfs/dbraw/zinc/23/21/90/183232190.db2.gz QELPKEVHDXHJRQ-WPRPVWTQSA-N 0 0 241.722 2.093 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1 ZINC000037689947 183236793 /nfs/dbraw/zinc/23/67/93/183236793.db2.gz GHHMEAYJZGADKE-QWRGUYRKSA-N 0 0 213.227 2.290 10 0 BEAERN O[C@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1F ZINC000037689755 183236866 /nfs/dbraw/zinc/23/68/66/183236866.db2.gz XUFHUNFVCYKUSK-CBAPKCEASA-N 0 0 231.217 2.429 10 0 BEAERN CCCN(CC(F)(F)F)c1ccc(CO)cn1 ZINC000042779281 169107643 /nfs/dbraw/zinc/10/76/43/169107643.db2.gz KIUYSUNWEBRHCU-UHFFFAOYSA-N 0 0 248.248 2.353 10 0 BEAERN Oc1ccc(CCc2ccc(O)cn2)cc1 ZINC000043073748 183269120 /nfs/dbraw/zinc/26/91/20/183269120.db2.gz JMMVRPZBDSJWSW-UHFFFAOYSA-N 0 0 215.252 2.278 10 0 BEAERN Oc1ccc2c(c1)[C@H](Cc1c[nH]cn1)CC2 ZINC000000006860 183281721 /nfs/dbraw/zinc/28/17/21/183281721.db2.gz VTZPAJGVRWKMAG-JTQLQIEISA-N 0 0 214.268 2.388 10 0 investigational BEAERN CCCN(CC1CC1)c1ccc(N)c2nonc21 ZINC000036198054 169138937 /nfs/dbraw/zinc/13/89/37/169138937.db2.gz HBAKPNFGBYFNTO-UHFFFAOYSA-N 0 0 246.314 2.431 10 0 BEAERN Oc1ccc2c(c1)[nH]nc2C(F)(F)F ZINC000089196001 183279069 /nfs/dbraw/zinc/27/90/69/183279069.db2.gz OIYLLLWTWWLANQ-UHFFFAOYSA-N 0 0 202.135 2.287 10 0 BEAERN Oc1ccc2c(c1)OC[C@H]2NCc1ccccn1 ZINC000019957840 183281021 /nfs/dbraw/zinc/28/10/21/183281021.db2.gz NPLBSORIXMYRGE-CYBMUJFWSA-N 0 0 242.278 2.011 10 0 BEAERN O=c1cc(CSc2ccccc2)[nH][nH]1 ZINC000059607062 183256511 /nfs/dbraw/zinc/25/65/11/183256511.db2.gz VEILLEOCGQGAQU-UHFFFAOYSA-N 0 0 206.270 2.408 10 0 BEAERN CCCN(CCC)C(=O)c1cnn2c1CCCC2 ZINC000126128406 169145843 /nfs/dbraw/zinc/14/58/43/169145843.db2.gz DKXAFSNNFWKLLW-UHFFFAOYSA-N 0 0 249.358 2.482 10 0 BEAERN O=c1[nH]nc2c3ccc(Cl)cc3[nH]cc1-2 ZINC000045928478 183306116 /nfs/dbraw/zinc/30/61/16/183306116.db2.gz DBCFFDAWSAQDDL-UHFFFAOYSA-N 0 0 219.631 2.470 10 0 BEAERN Oc1cccc(-c2nnc(-c3ccncc3)[nH]2)c1 ZINC000000505407 183287166 /nfs/dbraw/zinc/28/71/66/183287166.db2.gz SEMQQZJFAFSNGJ-UHFFFAOYSA-N 0 0 238.250 2.239 10 0 BEAERN Oc1cccc(-c2nc(-c3ccco3)n[nH]2)c1 ZINC000040174263 183288011 /nfs/dbraw/zinc/28/80/11/183288011.db2.gz JMQDLYCBPDJYPL-UHFFFAOYSA-N 0 0 227.223 2.437 10 0 BEAERN Oc1cccc(Cn2cc[nH]c2=S)c1 ZINC000013776290 183292669 /nfs/dbraw/zinc/29/26/69/183292669.db2.gz XFVJUMGOKMFEIR-UHFFFAOYSA-N 0 0 206.270 2.300 10 0 BEAERN O=c1[nH]c(-c2ccccc2)nc2[nH]nc(Cl)c21 ZINC000089222933 183307390 /nfs/dbraw/zinc/30/73/90/183307390.db2.gz SGMOMFRKCOWANL-UHFFFAOYSA-N 0 0 246.657 2.379 10 0 BEAERN CCCN1C(=O)CC[C@@H](c2ccccc2)NC1=O ZINC000037606856 169183420 /nfs/dbraw/zinc/18/34/20/169183420.db2.gz ALAHRCXWPVXYAH-LBPRGKRZSA-N 0 0 246.310 2.470 10 0 BEAERN [O-][n+]1cccc2cccc(Br)c21 ZINC000040544595 183318646 /nfs/dbraw/zinc/31/86/46/183318646.db2.gz DCMSRJCCVQNZMI-UHFFFAOYSA-N 0 0 224.057 2.236 10 0 BEAERN [O-][n+]1cc(Cl)c(Br)c2cc[nH]c21 ZINC000100457231 183318839 /nfs/dbraw/zinc/31/88/39/183318839.db2.gz HRRXIVKHSOYCCZ-UHFFFAOYSA-N 0 0 247.479 2.217 10 0 BEAERN c1c2cc3c(cc2nn1C1CC1)OCO3 ZINC000091690733 183322941 /nfs/dbraw/zinc/32/29/41/183322941.db2.gz GVLRQAIGBYFLIM-UHFFFAOYSA-N 0 0 202.213 2.100 10 0 BEAERN CCCN1CCCN(CCC)C1=S ZINC000003626024 169192523 /nfs/dbraw/zinc/19/25/23/169192523.db2.gz FWTLMXBRDIEOJQ-UHFFFAOYSA-N 0 0 200.351 2.099 10 0 BEAERN c1cc(-c2ccc3c(c2)OCCO3)no1 ZINC000015442923 183329669 /nfs/dbraw/zinc/32/96/69/183329669.db2.gz LCVYACPRBBPYDV-UHFFFAOYSA-N 0 0 203.197 2.113 10 0 BEAERN O=C1N=C(Br)SC1C1CC1 ZINC000107052677 183307433 /nfs/dbraw/zinc/30/74/33/183307433.db2.gz OQCVZTMXZAGHLO-UHFFFAOYSA-N 0 0 220.091 2.489 10 0 BEAERN O=c1[nH]cnc2cc(Br)c(F)cc12 ZINC000261509056 183309161 /nfs/dbraw/zinc/30/91/61/183309161.db2.gz ZLEYSWOUPZTIRD-UHFFFAOYSA-N 0 0 243.035 2.237 10 0 BEAERN CCCN1CCO[C@H](c2ccccc2O)C1 ZINC000026820404 169204632 /nfs/dbraw/zinc/20/46/32/169204632.db2.gz SHHFMDBWFMMIMI-ZDUSSCGKSA-N 0 0 221.300 2.176 10 0 BEAERN CCCNC(=O)CNc1ccc2ccccc2n1 ZINC000035133838 169230542 /nfs/dbraw/zinc/23/05/42/169230542.db2.gz KOBGPYVAPYSREX-UHFFFAOYSA-N 0 0 243.310 2.173 10 0 BEAERN c1cc(-c2n[nH]c(C3CC3)n2)cc2c1NCC2 ZINC000041161521 183366628 /nfs/dbraw/zinc/36/66/28/183366628.db2.gz MWSGRAOKUBKMRZ-UHFFFAOYSA-N 0 0 226.283 2.317 10 0 BEAERN c1cc2c(cc1NC[C@@H]1CCCO1)OCCCO2 ZINC000020043324 183369094 /nfs/dbraw/zinc/36/90/94/183369094.db2.gz OPJOLPUBGGMKDN-LBPRGKRZSA-N 0 0 249.310 2.439 10 0 BEAERN CCCNC(=O)Nc1cc(Cl)ccc1N ZINC000020256246 169239244 /nfs/dbraw/zinc/23/92/44/169239244.db2.gz YMXFZIQIWBFOLM-UHFFFAOYSA-N 0 0 227.695 2.454 10 0 BEAERN CCCNC(=O)Nc1ccc(CC)c(N)c1 ZINC000036744457 169239930 /nfs/dbraw/zinc/23/99/30/169239930.db2.gz GFCINULPZHEXEQ-UHFFFAOYSA-N 0 0 221.304 2.363 10 0 BEAERN c1cc2nc(-c3ccc4c(c3)OCO4)nc-2c[nH]1 ZINC000071166750 183376919 /nfs/dbraw/zinc/37/69/19/183376919.db2.gz HQEONJRAPKKNET-UHFFFAOYSA-N 0 0 239.234 2.354 10 0 BEAERN CCCNC(=O)[C@@H](C)Nc1cccc(OC)c1 ZINC000020312601 169241952 /nfs/dbraw/zinc/24/19/52/169241952.db2.gz ZXVLEKPCHBJCLM-SNVBAGLBSA-N 0 0 236.315 2.022 10 0 BEAERN CCCNC(=O)[C@H](C)n1c(C)cc(C=O)c1C ZINC000049216586 169247553 /nfs/dbraw/zinc/24/75/53/169247553.db2.gz YSKHXDVWZLZKNL-NSHDSACASA-N 0 0 236.315 2.005 10 0 BEAERN CCCN[C@H](C(N)=O)c1c(F)cccc1Cl ZINC000037870234 169284902 /nfs/dbraw/zinc/28/49/02/169284902.db2.gz QOTZESSERGDBCZ-JTQLQIEISA-N 0 0 244.697 2.005 10 0 BEAERN CCC[NH2+][C@H](CCOC1CCCCC1)C(=O)[O-] ZINC000062545844 169289219 /nfs/dbraw/zinc/28/92/19/169289219.db2.gz YNYHDVQCLMIPPV-GFCCVEGCSA-N 0 0 243.347 2.179 10 0 BEAERN c1nnc(SCCc2ccccn2)s1 ZINC000061730151 183395481 /nfs/dbraw/zinc/39/54/81/183395481.db2.gz ONIKZSFDSKIBFP-UHFFFAOYSA-N 0 0 223.326 2.268 10 0 BEAERN CCC[NH2+][C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000074469055 169277413 /nfs/dbraw/zinc/27/74/13/169277413.db2.gz SPUBROUUVUCQQH-GFCCVEGCSA-N 0 0 221.300 2.072 10 0 BEAERN CCCN[C@@H](CCc1ccccc1)C(=O)OC ZINC000061625435 169278868 /nfs/dbraw/zinc/27/88/68/169278868.db2.gz BGEDKKZLNBYXSQ-ZDUSSCGKSA-N 0 0 235.327 2.160 10 0 BEAERN CCCOC(=O)c1cc(F)cc(F)c1N ZINC000037475416 169300805 /nfs/dbraw/zinc/30/08/05/169300805.db2.gz UJWVOKVXPYOGJP-UHFFFAOYSA-N 0 0 215.199 2.114 10 0 BEAERN CCCOCC(=O)NCCC1=CCCC1 ZINC000131576266 169305195 /nfs/dbraw/zinc/30/51/95/169305195.db2.gz ZSZYMXVCFZFUTN-UHFFFAOYSA-N 0 0 211.305 2.030 10 0 BEAERN CCCOCc1cc(N)cc2c1OCOC2 ZINC000037024569 169310231 /nfs/dbraw/zinc/31/02/31/169310231.db2.gz CRSFMELIOCPWLF-UHFFFAOYSA-N 0 0 223.272 2.062 10 0 BEAERN CCCOc1ccc(Br)nn1 ZINC000044118066 169316540 /nfs/dbraw/zinc/31/65/40/169316540.db2.gz WMCBZDJTTBMGKP-UHFFFAOYSA-N 0 0 217.066 2.028 10 0 BEAERN CCCN[C@](C)(C(=O)OC)c1cccc(F)c1 ZINC000037513302 169293068 /nfs/dbraw/zinc/29/30/68/169293068.db2.gz HVMSUXMQONPPGL-ZDUSSCGKSA-N 0 0 239.290 2.214 10 0 BEAERN CCC[NH2+][C@](C)(CCc1ccccc1)C(=O)[O-] ZINC000037182391 169293357 /nfs/dbraw/zinc/29/33/57/169293357.db2.gz GQZUOXPYZUTXQI-CQSZACIVSA-N 0 0 235.327 2.462 10 0 BEAERN CCCNc1cccc(C(=O)N[C@@H]2C[C@@H]2C)n1 ZINC000052303667 169294963 /nfs/dbraw/zinc/29/49/63/169294963.db2.gz ZSASQBJSCDJPLL-GXSJLCMTSA-N 0 0 233.315 2.042 10 0 BEAERN CCCNc1ccccc1-c1nncn1C ZINC000037028140 169295199 /nfs/dbraw/zinc/29/51/99/169295199.db2.gz YWDWDGSHYGNJJH-UHFFFAOYSA-N 0 0 216.288 2.304 10 0 BEAERN CCCNc1ccc(NC(=O)NC)cc1 ZINC000037135699 169295263 /nfs/dbraw/zinc/29/52/63/169295263.db2.gz XYCJYLXZGYMJKO-UHFFFAOYSA-N 0 0 207.277 2.260 10 0 BEAERN CCCNc1cccnc1-n1ccnc1C ZINC000037772440 169295397 /nfs/dbraw/zinc/29/53/97/169295397.db2.gz PYUSFDUWRHVOJG-UHFFFAOYSA-N 0 0 216.288 2.398 10 0 BEAERN CCCNc1ccncc1C(=O)OCC ZINC000238248526 169295470 /nfs/dbraw/zinc/29/54/70/169295470.db2.gz LJZUZNKRHXOENF-UHFFFAOYSA-N 0 0 208.261 2.080 10 0 BEAERN CCCNc1ncnc(NCc2ccco2)c1N ZINC000040707737 169296562 /nfs/dbraw/zinc/29/65/62/169296562.db2.gz JQJNXFCVZKUABH-UHFFFAOYSA-N 0 0 247.302 2.086 10 0 BEAERN CCCSc1ccc(N)c2nonc21 ZINC000035676031 169341427 /nfs/dbraw/zinc/34/14/27/169341427.db2.gz GVTDHSGWRPLYNJ-UHFFFAOYSA-N 0 0 209.274 2.307 10 0 BEAERN CCCOc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000047873792 169320868 /nfs/dbraw/zinc/32/08/68/169320868.db2.gz IWJXLIGARRMMSO-JTQLQIEISA-N 0 0 238.283 2.416 10 0 BEAERN CCCOc1cccc(C(=O)N2CCCO2)c1 ZINC000125396184 169324072 /nfs/dbraw/zinc/32/40/72/169324072.db2.gz BYCCGDUKVHWQFS-UHFFFAOYSA-N 0 0 235.283 2.253 10 0 BEAERN CCCS(=O)(=O)N1CCCC12CCCC2 ZINC000365308461 169330650 /nfs/dbraw/zinc/33/06/50/169330650.db2.gz LNHLAEMWZHCLST-UHFFFAOYSA-N 0 0 231.361 2.135 10 0 BEAERN c1ccc2c(c1)NCC[C@@H]2[C@H]1COCCO1 ZINC000019509062 183450977 /nfs/dbraw/zinc/45/09/77/183450977.db2.gz YVKBZHZOLHETEE-WCQYABFASA-N 0 0 219.284 2.001 10 0 BEAERN CCCSCC(=O)Nc1ccc(F)cc1N ZINC000019870098 169338227 /nfs/dbraw/zinc/33/82/27/169338227.db2.gz RRXBNSDSGFKUIS-UHFFFAOYSA-N 0 0 242.319 2.490 10 0 BEAERN CCC[C@@H](C)NC(=O)c1sccc1N ZINC000040296398 169369154 /nfs/dbraw/zinc/36/91/54/169369154.db2.gz VAHHUJKTPGAXEC-SSDOTTSWSA-N 0 0 212.318 2.249 10 0 BEAERN CCC[C@@H](C)C(=O)N1CCCC[C@H](CO)C1 ZINC000377241685 169348500 /nfs/dbraw/zinc/34/85/00/169348500.db2.gz RCBHYMXQGXGHCT-NEPJUHHUSA-N 0 0 227.348 2.044 10 0 BEAERN CCC[C@@H](C)C(=O)NCc1cscn1 ZINC000123073278 169351150 /nfs/dbraw/zinc/35/11/50/169351150.db2.gz WWNYAAYHWVFXGY-MRVPVSSYSA-N 0 0 212.318 2.196 10 0 BEAERN CCC[C@@H](C)Cn1cc(C(=O)C(F)(F)F)nn1 ZINC000053648108 169362204 /nfs/dbraw/zinc/36/22/04/169362204.db2.gz FJOZNTPWLOLIJP-SSDOTTSWSA-N 0 0 249.236 2.459 10 0 BEAERN CCC[C@@H](C)Nc1ccc(N)c2nonc21 ZINC000035675359 169371228 /nfs/dbraw/zinc/37/12/28/169371228.db2.gz ROZVATVXKSRJHV-SSDOTTSWSA-N 0 0 220.276 2.406 10 0 BEAERN CCC[C@@H](C)Nc1ncccc1C(=O)[O-] ZINC000019844745 169372702 /nfs/dbraw/zinc/37/27/02/169372702.db2.gz YGFQTGLJEBDBOW-MRVPVSSYSA-N 0 0 208.261 2.380 10 0 BEAERN COc1ccc([C@@]2(O)CSC[C@@H]2C)cc1 ZINC000389661899 259601229 /nfs/dbraw/zinc/60/12/29/259601229.db2.gz ITICSWNLDODAIJ-JOYOIKCWSA-N 0 0 224.325 2.266 10 0 BEAERN c1sc(C2CCCC2)nc1[C@@H]1COCCN1 ZINC000083338372 183555063 /nfs/dbraw/zinc/55/50/63/183555063.db2.gz PWACZRJWMZDILP-JTQLQIEISA-N 0 0 238.356 2.462 10 0 BEAERN CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)OC)c1C ZINC000223969175 134343607 /nfs/dbraw/zinc/34/36/07/134343607.db2.gz YZAUKBJTLGMREW-UWVGGRQHSA-N 0 0 239.363 2.205 10 0 BEAERN CCC[C@H](C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000377241686 169469578 /nfs/dbraw/zinc/46/95/78/169469578.db2.gz RCBHYMXQGXGHCT-NWDGAFQWSA-N 0 0 227.348 2.044 10 0 BEAERN CCC[C@H](C)CC(=O)NCCn1cc(C)cn1 ZINC000117808875 169477408 /nfs/dbraw/zinc/47/74/08/169477408.db2.gz ZYLRRPJMSQJGRA-NSHDSACASA-N 0 0 237.347 2.134 10 0 BEAERN CCC[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1N ZINC000050309736 169492851 /nfs/dbraw/zinc/49/28/51/169492851.db2.gz OHFYKFFUCFCJCO-QMMMGPOBSA-N 0 0 238.335 2.034 10 0 BEAERN CCC[C@H](C)NC(=O)c1cccc(F)c1N ZINC000054204142 169493163 /nfs/dbraw/zinc/49/31/63/169493163.db2.gz NUUYRFNIQREWDS-QMMMGPOBSA-N 0 0 224.279 2.326 10 0 BEAERN CCC[C@H](O)c1ccc2c(c1)CC(=O)N2C ZINC000040451676 169521015 /nfs/dbraw/zinc/52/10/15/169521015.db2.gz ZAICXRFHWPKJHR-LBPRGKRZSA-N 0 0 219.284 2.039 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)NCC)cn1 ZINC000301414164 169534748 /nfs/dbraw/zinc/53/47/48/169534748.db2.gz BHHJUWAGOYXBTR-JQWIXIFHSA-N 0 0 247.342 2.432 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1nnc(COC)s1 ZINC000309212704 169535129 /nfs/dbraw/zinc/53/51/29/169535129.db2.gz TUPCKLPRMGYWLT-YUMQZZPRSA-N 0 0 227.333 2.285 10 0 BEAERN CC(C)(C)OC(=O)c1cc(N)cn1C1CC1 ZINC000041046613 166675461 /nfs/dbraw/zinc/67/54/61/166675461.db2.gz RCTGLSOBLRDRES-UHFFFAOYSA-N 0 0 222.288 2.361 10 0 BEAERN CCCc1nnc(-c2cc(F)ccc2N)o1 ZINC000050308454 169597666 /nfs/dbraw/zinc/59/76/66/169597666.db2.gz XXMGQIBGJYKBHU-UHFFFAOYSA-N 0 0 221.235 2.410 10 0 BEAERN CCCc1noc(-c2ccc(F)cc2N)n1 ZINC000036915772 169600011 /nfs/dbraw/zinc/60/00/11/169600011.db2.gz ZHACDTMTCYWWQG-UHFFFAOYSA-N 0 0 221.235 2.410 10 0 BEAERN CCCc1noc(Cc2cccc(O)c2)n1 ZINC000082644464 169604229 /nfs/dbraw/zinc/60/42/29/169604229.db2.gz IYUGJBIJUAIIQE-UHFFFAOYSA-N 0 0 218.256 2.319 10 0 BEAERN CC(C)(C)[C@@H](CC(=O)[O-])[NH+]1CCCCC1 ZINC000080683005 166691470 /nfs/dbraw/zinc/69/14/70/166691470.db2.gz DRCQOBGACNHSBL-SNVBAGLBSA-N 0 0 213.321 2.362 10 0 BEAERN CCCn1cc(N)cc1C(=O)N1CCCCC1 ZINC000036861055 169620099 /nfs/dbraw/zinc/62/00/99/169620099.db2.gz QLBLJAKPDAUUAY-UHFFFAOYSA-N 0 0 235.331 2.106 10 0 BEAERN CCN(C(=O)[C@H](C)COC)c1ccccc1 ZINC000103360588 169652028 /nfs/dbraw/zinc/65/20/28/169652028.db2.gz OXRPBPUAZIVSQI-LLVKDONJSA-N 0 0 221.300 2.322 10 0 BEAERN O=c1c2ccc[nH]c-2cn1Cc1ccccc1F ZINC000000003004 383817994 /nfs/dbraw/zinc/81/79/94/383817994.db2.gz ACIMOXQZQTWNQC-UHFFFAOYSA-N 0 0 242.253 2.377 10 0 BEAERN C=Cc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000000068686 383820840 /nfs/dbraw/zinc/82/08/40/383820840.db2.gz SJKZMXMVWSSBER-UHFFFAOYSA-N 0 0 204.229 2.223 10 0 BEAERN COC(=O)c1cc(CO)cc(C(C)(C)C)c1 ZINC000021985242 383847244 /nfs/dbraw/zinc/84/72/44/383847244.db2.gz ZMLITVZVARQSEU-UHFFFAOYSA-N 0 0 222.284 2.263 10 0 BEAERN O=Cc1cnc(-c2cc(F)ccc2F)nc1 ZINC000035323357 383852549 /nfs/dbraw/zinc/85/25/49/383852549.db2.gz BLIWAPLCNXQNSO-UHFFFAOYSA-N 0 0 220.178 2.234 10 0 BEAERN C/C=C\C(=O)Nc1ccccc1C(=O)OCC ZINC000035680983 383867269 /nfs/dbraw/zinc/86/72/69/383867269.db2.gz UGSSXVKYEUCWHE-CLTKARDFSA-N 0 0 233.267 2.378 10 0 BEAERN Cc1nc(N)cc(Cc2ccc(Cl)cc2)n1 ZINC000575622615 383877230 /nfs/dbraw/zinc/87/72/30/383877230.db2.gz XYRQGEMXVFBEFB-UHFFFAOYSA-N 0 0 233.702 2.442 10 0 BEAERN CCN(c1nccnc1Cl)[C@@H]1CCSC1 ZINC000409435331 383834761 /nfs/dbraw/zinc/83/47/61/383834761.db2.gz UEJPJTHYIFXJSH-MRVPVSSYSA-N 0 0 243.763 2.462 10 0 BEAERN CC(C)C[C@@H](CO)Nc1ccnc(C2CC2)n1 ZINC000112558193 383931580 /nfs/dbraw/zinc/93/15/80/383931580.db2.gz OMMYUKOVTLRNLX-NSHDSACASA-N 0 0 235.331 2.173 10 0 BEAERN N#Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C=O ZINC000575648205 383886814 /nfs/dbraw/zinc/88/68/14/383886814.db2.gz KOQFRWJGEDNAHZ-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN Nc1ccccc1CNc1nccs1 ZINC000050015485 383892486 /nfs/dbraw/zinc/89/24/86/383892486.db2.gz HOJNYFWYYVVSAJ-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN CCC1CCC(NC(=O)C2CCOCC2)CC1 ZINC000078233640 383893517 /nfs/dbraw/zinc/89/35/17/383893517.db2.gz BOBWBYBAOBSXBT-UHFFFAOYSA-N 0 0 239.359 2.498 10 0 BEAERN CCc1ccccc1Nc1nccc(=O)[nH]1 ZINC000001280898 383893849 /nfs/dbraw/zinc/89/38/49/383893849.db2.gz YHFARVOOTUQMDI-UHFFFAOYSA-N 0 0 215.256 2.076 10 0 BEAERN O=C(c1ccncc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000336482532 383982963 /nfs/dbraw/zinc/98/29/63/383982963.db2.gz BHFPHAPTXZIYBH-KWQFWETISA-N 0 0 236.702 2.360 10 0 BEAERN Cc1ccsc1-c1nnc([C@H](C)N)o1 ZINC000050284193 383991084 /nfs/dbraw/zinc/99/10/84/383991084.db2.gz NCQWWEIGAALBHE-LURJTMIESA-N 0 0 209.274 2.126 10 0 BEAERN N#Cc1ccc(CO)c(C(F)(F)F)c1F ZINC000575649760 383992517 /nfs/dbraw/zinc/99/25/17/383992517.db2.gz SXNMNMSXXFURJE-UHFFFAOYSA-N 0 0 219.137 2.208 10 0 BEAERN COC(=O)c1c2c[nH]nc2ccc1Cl ZINC000089196321 383942513 /nfs/dbraw/zinc/94/25/13/383942513.db2.gz USSCXOAERIULGO-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN COC(=O)c1cnc2cc(C(F)(F)F)ccn12 ZINC000089202082 383944993 /nfs/dbraw/zinc/94/49/93/383944993.db2.gz XVOKHFGYNYRCHE-UHFFFAOYSA-N 0 0 244.172 2.140 10 0 BEAERN CC(C)=CCNc1c[nH]cc2ncnc1-2 ZINC000089203374 383947153 /nfs/dbraw/zinc/94/71/53/383947153.db2.gz QXZCVIUKXDSLQA-UHFFFAOYSA-N 0 0 202.261 2.336 10 0 BEAERN CN(C)CC(=O)c1ccc(F)c2cc[nH]c21 ZINC000089204641 383947282 /nfs/dbraw/zinc/94/72/82/383947282.db2.gz DVPVXGFLXGRQGB-UHFFFAOYSA-N 0 0 220.247 2.051 10 0 BEAERN N#Cc1cc(C=O)cc(OC(F)(F)F)c1F ZINC000575645417 383949045 /nfs/dbraw/zinc/94/90/45/383949045.db2.gz FVEBTWYSCHIGMZ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN Ic1cc2[nH]ccc2cn1 ZINC000089220835 383949237 /nfs/dbraw/zinc/94/92/37/383949237.db2.gz NJNSDGNEKNAUBK-UHFFFAOYSA-N 0 0 244.035 2.168 10 0 BEAERN Cc1[nH]nc2cc(C(F)(F)F)cnc12 ZINC000089219709 383949263 /nfs/dbraw/zinc/94/92/63/383949263.db2.gz IOCYCKKMDBVFNL-UHFFFAOYSA-N 0 0 201.151 2.285 10 0 BEAERN CS[C@]1(Cl)C(=O)Nc2ncc(Cl)cc21 ZINC000089222163 383950211 /nfs/dbraw/zinc/95/02/11/383950211.db2.gz YOGQQSFXFCXFSE-QMMMGPOBSA-N 0 0 249.122 2.442 10 0 BEAERN COC(=O)c1nc(C)cc2sc(C)nc21 ZINC000089229237 383950831 /nfs/dbraw/zinc/95/08/31/383950831.db2.gz VOHPMBCSKVFDCE-UHFFFAOYSA-N 0 0 222.269 2.095 10 0 BEAERN Cn1cc([C@H]2CCNc3ccccc32)cn1 ZINC000068592010 384001332 /nfs/dbraw/zinc/00/13/32/384001332.db2.gz RVOVQFCLTLINBR-LLVKDONJSA-N 0 0 213.284 2.368 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)COC(C)C)o1 ZINC000068016117 383965892 /nfs/dbraw/zinc/96/58/92/383965892.db2.gz WBXYWIJAKFEASI-SNVBAGLBSA-N 0 0 225.288 2.190 10 0 BEAERN Cc1ccc(CC(=O)N[C@H](C)C(C)C)cc1O ZINC000089433720 383966600 /nfs/dbraw/zinc/96/66/00/383966600.db2.gz RCEGISYEGNNQQM-LLVKDONJSA-N 0 0 235.327 2.404 10 0 BEAERN CC(=O)c1ccc(O)c(C/C=C(\C)CO)c1 ZINC000014455164 383973762 /nfs/dbraw/zinc/97/37/62/383973762.db2.gz VJMQHXVUFSIHDR-YCRREMRBSA-N 0 0 220.268 2.076 10 0 BEAERN O=C(C1=CCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000335848738 384006360 /nfs/dbraw/zinc/00/63/60/384006360.db2.gz QGFOPKAVDGOTQF-DZGCQCFKSA-N 0 0 249.354 2.250 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1cc(Cl)ncn1 ZINC000050376733 384010481 /nfs/dbraw/zinc/01/04/81/384010481.db2.gz KDYNANQYWUDQMS-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN O=C(c1cc[nH]c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113888591 384011032 /nfs/dbraw/zinc/01/10/32/384011032.db2.gz FXLWKTNOKAYWSV-GFCCVEGCSA-N 0 0 244.298 2.105 10 0 BEAERN CC[S@@](=O)Cc1ccc(Cl)cc1N ZINC000050445245 384043881 /nfs/dbraw/zinc/04/38/81/384043881.db2.gz KVVUBJXKTRUYMQ-ZDUSSCGKSA-N 0 0 217.721 2.191 10 0 BEAERN C[C@H](NCc1cn[nH]n1)c1cccc(Cl)c1 ZINC000296324370 384050663 /nfs/dbraw/zinc/05/06/63/384050663.db2.gz ORJMHYXCNBJJIZ-QMMMGPOBSA-N 0 0 236.706 2.309 10 0 BEAERN Cc1cccc(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000114183188 384027387 /nfs/dbraw/zinc/02/73/87/384027387.db2.gz XTDBOMXHMPXOJZ-QWRGUYRKSA-N 0 0 206.289 2.004 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)nc1 ZINC000074225046 384030828 /nfs/dbraw/zinc/03/08/28/384030828.db2.gz HWBIFPUASYOWFJ-WCBMZHEXSA-N 0 0 222.263 2.139 10 0 BEAERN CCN(C(=O)N(C)C)[C@H](C)c1cccnc1 ZINC000115471697 384084423 /nfs/dbraw/zinc/08/44/23/384084423.db2.gz ZMYKDWFWZVCJJU-SNVBAGLBSA-N 0 0 221.304 2.146 10 0 BEAERN CCC[C@@H]1C[C@@]2(CCO1)CC(=O)CCO2 ZINC000069900323 384069178 /nfs/dbraw/zinc/06/91/78/384069178.db2.gz QUJDJFLXQLNTKG-VXGBXAGGSA-N 0 0 212.289 2.084 10 0 BEAERN CCOc1cc(C(C)=O)c([N+](=O)[O-])cc1C#N ZINC000575651086 384073780 /nfs/dbraw/zinc/07/37/80/384073780.db2.gz VPCWIXDQGQHGIE-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCCc1cnc(OCC)nc1OCC ZINC000038867174 384097661 /nfs/dbraw/zinc/09/76/61/384097661.db2.gz SMFVVBXMZLXXJZ-UHFFFAOYSA-N 0 0 210.277 2.227 10 0 BEAERN CC[C@@H]1C=CC(C)=C2N=c3sc(C)nc3=C21 ZINC000039102943 384103506 /nfs/dbraw/zinc/10/35/06/384103506.db2.gz VXBBHQSLYLFEDX-SECBINFHSA-N 0 0 230.336 2.105 10 0 BEAERN CCc1cc(C(=O)CN)c(SC)s1 ZINC000039101797 384104089 /nfs/dbraw/zinc/10/40/89/384104089.db2.gz RPWFILOPLFHKGA-UHFFFAOYSA-N 0 0 215.343 2.174 10 0 BEAERN CC1(C)C=CC(O)(O)C=C1c1ccccc1 ZINC000039119114 384106845 /nfs/dbraw/zinc/10/68/45/384106845.db2.gz ZTRGRPYLKBAAKN-UHFFFAOYSA-N 0 0 216.280 2.347 10 0 BEAERN Cn1ncc2c1C[C@H](c1ccccc1)C[C@H]2O ZINC000072415826 384107509 /nfs/dbraw/zinc/10/75/09/384107509.db2.gz SFYKMSYDJWVWTH-SMDDNHRTSA-N 0 0 228.295 2.184 10 0 BEAERN c1ccc([C@@H]2NN=C3CCCCCN32)cc1 ZINC000072416243 384111740 /nfs/dbraw/zinc/11/17/40/384111740.db2.gz ZGDOBVDFAKRZRF-CYBMUJFWSA-N 0 0 215.300 2.478 10 0 BEAERN O=Cc1ccc(Br)c(C=O)c1 ZINC000039366540 384113629 /nfs/dbraw/zinc/11/36/29/384113629.db2.gz HSEGHDHVRJAKJN-UHFFFAOYSA-N 0 0 213.030 2.074 10 0 BEAERN CCCC[C@@H]1COC[C@@H](C)[C@@H]1OC(C)=O ZINC000005821925 384133226 /nfs/dbraw/zinc/13/32/26/384133226.db2.gz XWNKVSFNBVIKJB-JLLWLGSASA-N 0 0 214.305 2.391 10 0 BEAERN CCOCCOCCOc1ccccc1 ZINC000005859041 384134560 /nfs/dbraw/zinc/13/45/60/384134560.db2.gz VOLUQLBPFZVGEH-UHFFFAOYSA-N 0 0 210.273 2.119 10 0 BEAERN O=c1[nH]ncc(OCc2ccccc2)c1Cl ZINC000091366277 384123538 /nfs/dbraw/zinc/12/35/38/384123538.db2.gz BTFBGGIHXHXQNS-UHFFFAOYSA-N 0 0 236.658 2.002 10 0 BEAERN CC(C)(C)CC(C)(C)n1nnc2c1CCNC2 ZINC000091523796 384131370 /nfs/dbraw/zinc/13/13/70/384131370.db2.gz IKEWOBBQLNAFNV-UHFFFAOYSA-N 0 0 236.363 2.095 10 0 BEAERN Cc1ccc(CCNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000116428846 384138156 /nfs/dbraw/zinc/13/81/56/384138156.db2.gz ZNMXTABVMQBRBL-AAEUAGOBSA-N 0 0 232.327 2.245 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)C1=CCCCCC1 ZINC000336579077 384172425 /nfs/dbraw/zinc/17/24/25/384172425.db2.gz YXCLNYJHTQQTDI-PWSUYJOCSA-N 0 0 223.316 2.171 10 0 BEAERN COc1ccccc1/C=C(/C)NC(C)=O ZINC000211410274 384163748 /nfs/dbraw/zinc/16/37/48/384163748.db2.gz HNEFEXUVHVMYNQ-HJWRWDBZSA-N 0 0 205.257 2.192 10 0 BEAERN Cn1cc(CCO)c2cc(Cl)ccc21 ZINC000071491837 384169135 /nfs/dbraw/zinc/16/91/35/384169135.db2.gz KFNRWWSGIMWPEU-UHFFFAOYSA-N 0 0 209.676 2.367 10 0 BEAERN CCOCCCC(=O)NCCc1ccsc1 ZINC000047090269 384185162 /nfs/dbraw/zinc/18/51/62/384185162.db2.gz OXWVCHIGIGYNAT-UHFFFAOYSA-N 0 0 241.356 2.224 10 0 BEAERN COc1ccc(C=O)c(C(F)(F)F)c1C#N ZINC000575646214 384206515 /nfs/dbraw/zinc/20/65/15/384206515.db2.gz FPVLYTIBALBPPV-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN Cn1cc(-c2cncc(Br)c2)cn1 ZINC000118633144 384206553 /nfs/dbraw/zinc/20/65/53/384206553.db2.gz QLEPIXIMTMBVMQ-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN CCCCOCC(=O)NCCc1ccsc1 ZINC000118206990 384192893 /nfs/dbraw/zinc/19/28/93/384192893.db2.gz WQKCAUTVSNIPDG-UHFFFAOYSA-N 0 0 241.356 2.224 10 0 BEAERN CCn1ccc2ccc(CC(=O)OC)cc21 ZINC000260691831 384241372 /nfs/dbraw/zinc/24/13/72/384241372.db2.gz QXUDDBAKKQDMQM-UHFFFAOYSA-N 0 0 217.268 2.377 10 0 BEAERN CC(=O)c1ccccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000073328431 384249155 /nfs/dbraw/zinc/24/91/55/384249155.db2.gz DFZCOZUUNHHFFJ-QPUJVOFHSA-N 0 0 217.268 2.027 10 0 BEAERN CC(=O)c1ccccc1C(=O)N[C@H]1C[C@H]1C ZINC000073328422 384249701 /nfs/dbraw/zinc/24/97/01/384249701.db2.gz DFZCOZUUNHHFFJ-PELKAZGASA-N 0 0 217.268 2.027 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccnc(Cl)c1 ZINC000134402453 384262155 /nfs/dbraw/zinc/26/21/55/384262155.db2.gz DOQIOVLUKJLRGU-IONNQARKSA-N 0 0 212.680 2.324 10 0 BEAERN O=Cc1cn2c(cccc2C(F)(F)F)n1 ZINC000074139974 384275516 /nfs/dbraw/zinc/27/55/16/384275516.db2.gz YYKGYBGXKOVSPV-UHFFFAOYSA-N 0 0 214.146 2.166 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000133684973 384306758 /nfs/dbraw/zinc/30/67/58/384306758.db2.gz UMQOQNZJOXZUDV-NEPJUHHUSA-N 0 0 235.327 2.050 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c(C)c1 ZINC000133440895 384294037 /nfs/dbraw/zinc/29/40/37/384294037.db2.gz ZJVKHLWTSXVHGK-RYUDHWBXSA-N 0 0 235.327 2.050 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000134269712 384342750 /nfs/dbraw/zinc/34/27/50/384342750.db2.gz BUICSGJONWUGLL-JOYOIKCWSA-N 0 0 244.294 2.075 10 0 BEAERN CCN(C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000134259599 384343431 /nfs/dbraw/zinc/34/34/31/384343431.db2.gz SFKBYRQCPXEKOM-CYBMUJFWSA-N 0 0 232.327 2.205 10 0 BEAERN Cc1nc(Cl)cc(N[C@H]2CCO[C@H]2C)n1 ZINC000134584319 384373646 /nfs/dbraw/zinc/37/36/46/384373646.db2.gz YMNQHPRVYYZHJV-XPUUQOCRSA-N 0 0 227.695 2.028 10 0 BEAERN CC[C@@H](C)CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134323784 384350110 /nfs/dbraw/zinc/35/01/10/384350110.db2.gz MWNMLGPBLOWQSJ-GHMZBOCLSA-N 0 0 249.358 2.334 10 0 BEAERN COCc1cccc(CNC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000075981540 384352061 /nfs/dbraw/zinc/35/20/61/384352061.db2.gz LMMTYTTWFFUSET-GWCFXTLKSA-N 0 0 248.326 2.041 10 0 BEAERN COC(=O)c1cccc(CNC(F)(F)F)c1 ZINC000095076135 384353558 /nfs/dbraw/zinc/35/35/58/384353558.db2.gz TUAHWBWZYSREPH-UHFFFAOYSA-N 0 0 233.189 2.083 10 0 BEAERN CCOc1c(C)cc(OC(F)F)cc1CO ZINC000575655812 384355315 /nfs/dbraw/zinc/35/53/15/384355315.db2.gz BFBUTSSNCJMOGE-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN O=C(OCc1ccccc1)N1CC[C@H](CCO)C1 ZINC000095078366 384355657 /nfs/dbraw/zinc/35/56/57/384355657.db2.gz XLFQYNRXWHHTIK-GFCCVEGCSA-N 0 0 249.310 2.028 10 0 BEAERN CC[C@@H](C(N)=O)c1ccccc1Br ZINC000095079500 384356232 /nfs/dbraw/zinc/35/62/32/384356232.db2.gz JGVIPFHGVABYSM-SSDOTTSWSA-N 0 0 242.116 2.428 10 0 BEAERN CCOc1cc(CO)c(OC)cc1OC(F)F ZINC000575656065 384359971 /nfs/dbraw/zinc/35/99/71/384359971.db2.gz CIGIPIZOOQNXKC-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCN(C(=O)CCc1ccnn1C)C1CCCC1 ZINC000120557873 384360719 /nfs/dbraw/zinc/36/07/19/384360719.db2.gz LHXNSSLUKARLFT-UHFFFAOYSA-N 0 0 249.358 2.144 10 0 BEAERN Nc1c(-c2ccccc2)nc2scnn12 ZINC000095221126 384368723 /nfs/dbraw/zinc/36/87/23/384368723.db2.gz YLQHCHITTCXXIP-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CC(C)Cc1nc(C(=O)N[C@H]2C[C@H]2C)cs1 ZINC000075511899 384326625 /nfs/dbraw/zinc/32/66/25/384326625.db2.gz LCIMIKZUUVBIEU-BDAKNGLRSA-N 0 0 238.356 2.480 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000075514258 384326844 /nfs/dbraw/zinc/32/68/44/384326844.db2.gz CZEVZRODYKRDGZ-KCJUWKMLSA-N 0 0 214.268 2.306 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000075514468 384327151 /nfs/dbraw/zinc/32/71/51/384327151.db2.gz IUNJXJYEQYUWLB-MFKMUULPSA-N 0 0 241.294 2.011 10 0 BEAERN CCc1ccsc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075508343 384327935 /nfs/dbraw/zinc/32/79/35/384327935.db2.gz ZGAYGBILXQHHCR-IONNQARKSA-N 0 0 209.314 2.449 10 0 BEAERN CCc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075527903 384329599 /nfs/dbraw/zinc/32/95/99/384329599.db2.gz WCBMVQUSGGJDTI-JOYOIKCWSA-N 0 0 203.285 2.387 10 0 BEAERN Cc1ccc(CC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075525957 384329632 /nfs/dbraw/zinc/32/96/32/384329632.db2.gz NMRCHXGTNAHJTN-CMPLNLGQSA-N 0 0 203.285 2.062 10 0 BEAERN COc1cc(C(=O)N[C@H]2C[C@H]2C)cc(OC)c1C ZINC000075530102 384329693 /nfs/dbraw/zinc/32/96/93/384329693.db2.gz QQIUSILYKNIKJA-KCJUWKMLSA-N 0 0 249.310 2.150 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000075521623 384329895 /nfs/dbraw/zinc/32/98/95/384329895.db2.gz VTGCXHZDEFSJJA-LDWIPMOCSA-N 0 0 211.211 2.103 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1C ZINC000075522220 384330000 /nfs/dbraw/zinc/33/00/00/384330000.db2.gz ZOUUAKIAZCNVAZ-JQWIXIFHSA-N 0 0 203.285 2.442 10 0 BEAERN CCOc1cc(C)cc(OC(F)F)c1CO ZINC000575658787 384398176 /nfs/dbraw/zinc/39/81/76/384398176.db2.gz WCMJCXNULSENNF-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN Cc1cnccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000121180584 384399931 /nfs/dbraw/zinc/39/99/31/384399931.db2.gz UCAUFXSSUZSSDB-GHMZBOCLSA-N 0 0 249.314 2.031 10 0 BEAERN CCc1cc(CO)c(OC(F)F)cc1OC ZINC000575659510 384404775 /nfs/dbraw/zinc/40/47/75/384404775.db2.gz ZWNYABIEYCDPDF-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CN(C)c1cc(N)ccc1C(F)(F)F ZINC000095917702 384407630 /nfs/dbraw/zinc/40/76/30/384407630.db2.gz RAGNRRKBRNUMAS-UHFFFAOYSA-N 0 0 204.195 2.354 10 0 BEAERN c1ccc(CN2CCOc3ncccc3C2)cc1 ZINC000095919579 384408088 /nfs/dbraw/zinc/40/80/88/384408088.db2.gz PPLRJKBYCMHMOT-UHFFFAOYSA-N 0 0 240.306 2.476 10 0 BEAERN CN(C)c1ccc(C(F)(F)F)c(N)c1 ZINC000095917703 384408319 /nfs/dbraw/zinc/40/83/19/384408319.db2.gz ODXFMJJMEYFVPD-UHFFFAOYSA-N 0 0 204.195 2.354 10 0 BEAERN COc1cc(C(C)=O)cc(C=O)c1OC(F)F ZINC000575660980 384408755 /nfs/dbraw/zinc/40/87/55/384408755.db2.gz CXGWMCYAXKHMAD-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Nc1ccc(Br)nc1C(F)(F)F ZINC000095929672 384409577 /nfs/dbraw/zinc/40/95/77/384409577.db2.gz WOKKPJCRAHUJTP-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN Cn1cc([C@@H]2CCCN2Cc2nccs2)cn1 ZINC000135039656 384410407 /nfs/dbraw/zinc/41/04/07/384410407.db2.gz ACSJFFGUTIHZEH-NSHDSACASA-N 0 0 248.355 2.214 10 0 BEAERN COc1ccc(F)c(C=O)c1OC(F)F ZINC000575660706 384411053 /nfs/dbraw/zinc/41/10/53/384411053.db2.gz YNKACEUUJPSMNE-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(OC(F)F)cc(C=O)c1F ZINC000575660718 384411552 /nfs/dbraw/zinc/41/15/52/384411552.db2.gz ZFFOLHFIDGJRHO-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN CC[C@H](CCC(N)=O)c1nc2ccccc2[nH]1 ZINC000095934784 384412166 /nfs/dbraw/zinc/41/21/66/384412166.db2.gz YJNMQMFOODQAJD-SECBINFHSA-N 0 0 231.299 2.322 10 0 BEAERN [NH3+]Cc1cc2cc(Br)ccc2cn1 ZINC000095934475 384412609 /nfs/dbraw/zinc/41/26/09/384412609.db2.gz FOUBSYHVJHYZLN-UHFFFAOYSA-N 0 0 237.100 2.456 10 0 BEAERN Cc1cnccc1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000121332463 384412502 /nfs/dbraw/zinc/41/25/02/384412502.db2.gz FYWXCVUGEQKDGS-PWSUYJOCSA-N 0 0 249.314 2.079 10 0 BEAERN COc1ncc2c(n1)-c1ccccc1CC2 ZINC000095935205 384415264 /nfs/dbraw/zinc/41/52/64/384415264.db2.gz HHRDWXKSLHPXBK-UHFFFAOYSA-N 0 0 212.252 2.251 10 0 BEAERN Cc1cnc(CC[N@H+]2CCC[C@@H](O)[C@@H]2C)c(C)c1 ZINC000335642767 384419236 /nfs/dbraw/zinc/41/92/36/384419236.db2.gz IRWKMFXRWGETJU-DZGCQCFKSA-N 0 0 248.370 2.086 10 0 BEAERN O=CC(=O)Oc1c(Cl)ccc(F)c1Cl ZINC000095944551 384419663 /nfs/dbraw/zinc/41/96/63/384419663.db2.gz FGHLXVFCQOLORL-UHFFFAOYSA-N 0 0 237.013 2.237 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000121509955 384419922 /nfs/dbraw/zinc/41/99/22/384419922.db2.gz GANHPBUGQIRKSH-QWRGUYRKSA-N 0 0 249.358 2.380 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)CCn2cccn2)o1 ZINC000046042854 384419888 /nfs/dbraw/zinc/41/98/88/384419888.db2.gz HWLSEGKBWVFIGI-NSHDSACASA-N 0 0 247.298 2.052 10 0 BEAERN CC(C)C[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000121509490 384420947 /nfs/dbraw/zinc/42/09/47/384420947.db2.gz GANHPBUGQIRKSH-GHMZBOCLSA-N 0 0 249.358 2.380 10 0 BEAERN CCOc1c(C)c(CO)ccc1OC(F)F ZINC000575657426 384382662 /nfs/dbraw/zinc/38/26/62/384382662.db2.gz MWQURWGMJOZQFF-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN Cc1nc(Cl)cc(NC[C@H]2CCC[C@H]2O)n1 ZINC000084239361 384382933 /nfs/dbraw/zinc/38/29/33/384382933.db2.gz LQWZWQHTNSIXKP-RKDXNWHRSA-N 0 0 241.722 2.011 10 0 BEAERN c1ccc2sc([C@@H]3COCCO3)nc2c1 ZINC000045237835 384384130 /nfs/dbraw/zinc/38/41/30/384384130.db2.gz NMBQSSCCGVRHSZ-VIFPVBQESA-N 0 0 221.281 2.384 10 0 BEAERN COc1cc(C=O)cc(C)c1OC(F)F ZINC000575664743 384427495 /nfs/dbraw/zinc/42/74/95/384427495.db2.gz KIVILBDWBBBWPE-UHFFFAOYSA-N 0 0 216.183 2.418 10 0 BEAERN CCOc1c(OC(F)F)ccc(F)c1CO ZINC000575657835 384389117 /nfs/dbraw/zinc/38/91/17/384389117.db2.gz ZQGBVNCVVNZTFL-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CN(C)c1cc(O)ccc1Br ZINC000095711817 384390185 /nfs/dbraw/zinc/39/01/85/384390185.db2.gz OVRSKSJATHDPBH-UHFFFAOYSA-N 0 0 216.078 2.221 10 0 BEAERN CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000374460332 384444190 /nfs/dbraw/zinc/44/41/90/384444190.db2.gz FZBZZAMXOOOVFX-UHIISALHSA-N 0 0 247.342 2.340 10 0 BEAERN Cc1cc(C(F)F)cc(CO)c1C=O ZINC000575668208 384447085 /nfs/dbraw/zinc/44/70/85/384447085.db2.gz LMKPSEQYALDSQQ-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(F)c1F ZINC000078711666 384458035 /nfs/dbraw/zinc/45/80/35/384458035.db2.gz OBUPBERGWKLQGH-XRGYYRRGSA-N 0 0 229.201 2.242 10 0 BEAERN CSCCCC(=O)N(C)CC1CCOCC1 ZINC000121872950 384441305 /nfs/dbraw/zinc/44/13/05/384441305.db2.gz GGKNJVSCKBXWHI-UHFFFAOYSA-N 0 0 245.388 2.015 10 0 BEAERN CC(=O)CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000122137283 384459954 /nfs/dbraw/zinc/45/99/54/384459954.db2.gz DVBDXMUYXQFXOA-UKRRQHHQSA-N 0 0 247.338 2.428 10 0 BEAERN COC(=O)c1cccnc1CN1CCC[C@H](C)C1 ZINC000305999252 384463107 /nfs/dbraw/zinc/46/31/07/384463107.db2.gz UVYCJSFDPCFGEA-NSHDSACASA-N 0 0 248.326 2.100 10 0 BEAERN O=Cc1cccc(OCC(=O)c2ccco2)c1 ZINC000047821597 384468619 /nfs/dbraw/zinc/46/86/19/384468619.db2.gz PFFMXMPYJGDFPA-UHFFFAOYSA-N 0 0 230.219 2.354 10 0 BEAERN COC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)CN1 ZINC000079026396 384478886 /nfs/dbraw/zinc/47/88/86/384478886.db2.gz BSHFSTHSBFHPAK-STQMWFEESA-N 0 0 233.311 2.004 10 0 BEAERN COC(=O)[C@H]1CC[C@@H](c2cccc(C)c2)CN1 ZINC000079026385 384479320 /nfs/dbraw/zinc/47/93/20/384479320.db2.gz BSHFSTHSBFHPAK-CHWSQXEVSA-N 0 0 233.311 2.004 10 0 BEAERN CC(=O)CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000122137535 384459114 /nfs/dbraw/zinc/45/91/14/384459114.db2.gz DVBDXMUYXQFXOA-DZGCQCFKSA-N 0 0 247.338 2.428 10 0 BEAERN CCCCC(=O)c1c(O)cc(O)cc1O ZINC000014817882 384501494 /nfs/dbraw/zinc/50/14/94/384501494.db2.gz HPBAQDWUBZVAMF-UHFFFAOYSA-N 0 0 210.229 2.176 10 0 BEAERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)c(O)c1 ZINC000122569654 384491085 /nfs/dbraw/zinc/49/10/85/384491085.db2.gz SATZQKKYFUCBEM-NSHDSACASA-N 0 0 237.299 2.046 10 0 BEAERN Cc1csc([C@@]2([NH3+])CCCSC2)n1 ZINC000061590694 384520341 /nfs/dbraw/zinc/52/03/41/384520341.db2.gz RFDHNWYZMZOFQE-SECBINFHSA-N 0 0 214.359 2.133 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000122917351 384522908 /nfs/dbraw/zinc/52/29/08/384522908.db2.gz CCYVYFLVWWIFLA-SVGQVSJJSA-N 0 0 229.201 2.242 10 0 BEAERN CN(Cc1ccccc1)C1N=NC(=S)S1 ZINC000044241617 384543717 /nfs/dbraw/zinc/54/37/17/384543717.db2.gz BQLZBXDBNXDNJR-UHFFFAOYSA-N 0 0 237.353 2.463 10 0 BEAERN Cc1ccnc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184140453 384572012 /nfs/dbraw/zinc/57/20/12/384572012.db2.gz FCWBWGIQRLBUTK-GHMZBOCLSA-N 0 0 249.314 2.031 10 0 BEAERN Cc1ccc(F)c(OCC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000162135924 384574819 /nfs/dbraw/zinc/57/48/19/384574819.db2.gz CNMIEKCHGHFLHF-ONGXEEELSA-N 0 0 237.274 2.038 10 0 BEAERN CO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103054005 384590840 /nfs/dbraw/zinc/59/08/40/384590840.db2.gz VVSPVNWOCTZWEY-GRYCIOLGSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1nc2cc(NC(=O)c3cn[nH]c3)ccc2o1 ZINC000040438327 384567509 /nfs/dbraw/zinc/56/75/09/384567509.db2.gz CEYVFDOHQWOHMO-UHFFFAOYSA-N 0 0 242.238 2.112 10 0 BEAERN CC[C@H]1CCCCN1C(=O)[C@@H](C)COC ZINC000103355881 384607818 /nfs/dbraw/zinc/60/78/18/384607818.db2.gz UPNDNQJDTQVHNM-QWRGUYRKSA-N 0 0 213.321 2.060 10 0 BEAERN COC[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000103357488 384609426 /nfs/dbraw/zinc/60/94/26/384609426.db2.gz RIAJBKKTDLWVLW-LLVKDONJSA-N 0 0 225.332 2.276 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000172874021 384632922 /nfs/dbraw/zinc/63/29/22/384632922.db2.gz NDFKNGMMOTXBCY-JTQLQIEISA-N 0 0 246.310 2.399 10 0 BEAERN CN(CC(F)F)C(=O)CCc1ccccc1O ZINC000103398985 384620806 /nfs/dbraw/zinc/62/08/06/384620806.db2.gz KBXSKDOVOQUBKY-UHFFFAOYSA-N 0 0 243.253 2.048 10 0 BEAERN CC(=O)C(=C(C)O)C(=S)Nc1ccccc1 ZINC000100316218 384633872 /nfs/dbraw/zinc/63/38/72/384633872.db2.gz PIGBZSZANZMYAE-UHFFFAOYSA-N 0 0 235.308 2.220 10 0 BEAERN CNc1cc(Br)cnc1F ZINC000098180191 384602523 /nfs/dbraw/zinc/60/25/23/384602523.db2.gz UQHKOEJLQZZCQN-UHFFFAOYSA-N 0 0 205.030 2.025 10 0 BEAERN COc1ncccc1[C@@H]1CCCCC1=O ZINC000238433462 384663565 /nfs/dbraw/zinc/66/35/65/384663565.db2.gz RESKRXBADWHWPK-VIFPVBQESA-N 0 0 205.257 2.317 10 0 BEAERN CCOc1cc(C)c(C(N)=O)c(CC)c1 ZINC000575695530 384666060 /nfs/dbraw/zinc/66/60/60/384666060.db2.gz JWIBPQPBKQGVKX-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN COn1cc(CC[C@@H](C)CO)c2ccccc21 ZINC000014517484 384667217 /nfs/dbraw/zinc/66/72/17/384667217.db2.gz FGYVMFMFZWJGDY-LLVKDONJSA-N 0 0 233.311 2.261 10 0 biogenic BEAERN CCOc1cc(CC)c(C)cc1C(N)=O ZINC000575696364 384668596 /nfs/dbraw/zinc/66/85/96/384668596.db2.gz MJHHMWJBFJPJJU-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN Cc1cc(C)c2c(N)c(C(=O)[O-])c[nH+]c2c1 ZINC000047913055 384669067 /nfs/dbraw/zinc/66/90/67/384669067.db2.gz OOANNWDPLCWGDS-UHFFFAOYSA-N 0 0 216.240 2.132 10 0 BEAERN CC(C)n1ccnc1CS[C@H](C)CO ZINC000172985688 384645310 /nfs/dbraw/zinc/64/53/10/384645310.db2.gz NOBUFEAWYMREKB-SECBINFHSA-N 0 0 214.334 2.078 10 0 BEAERN Cn1cc([C@H]2CCCN2C(=O)CC2CCC2)cn1 ZINC000173060058 384650055 /nfs/dbraw/zinc/65/00/55/384650055.db2.gz PNEDWVRLKUHCLE-CYBMUJFWSA-N 0 0 247.342 2.274 10 0 BEAERN CC(C)OC(=O)N(C)Cc1ccccc1N ZINC000044238680 384652277 /nfs/dbraw/zinc/65/22/77/384652277.db2.gz UXEHKOHCUHPOBD-UHFFFAOYSA-N 0 0 222.288 2.246 10 0 BEAERN O=C(CC1=CCCCC1)N[C@H]1CCCC[C@H]1O ZINC000104106733 384662271 /nfs/dbraw/zinc/66/22/71/384662271.db2.gz RRJRERWPGYGIRW-QWHCGFSZSA-N 0 0 237.343 2.297 10 0 BEAERN Cc1oc(Br)nc1[C@@H]1CCOC1 ZINC000258973999 384725081 /nfs/dbraw/zinc/72/50/81/384725081.db2.gz SBHMBMYSMZNJPZ-ZCFIWIBFSA-N 0 0 232.077 2.249 10 0 BEAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])C1CCCCCC1 ZINC000258967639 384716986 /nfs/dbraw/zinc/71/69/86/384716986.db2.gz UJZUCPUGNQOYCI-JTQLQIEISA-N 0 0 213.321 2.395 10 0 BEAERN CC(C)(C(=O)[O-])[C@H]([NH3+])C1CCCCCC1 ZINC000258967640 384718914 /nfs/dbraw/zinc/71/89/14/384718914.db2.gz UJZUCPUGNQOYCI-SNVBAGLBSA-N 0 0 213.321 2.395 10 0 BEAERN CO[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000083502303 384775702 /nfs/dbraw/zinc/77/57/02/384775702.db2.gz BTWZFGGEWSOVHW-DTWKUNHWSA-N 0 0 215.293 2.079 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000052299171 384733446 /nfs/dbraw/zinc/73/34/46/384733446.db2.gz VWRXEPWIGFIUDV-KCJUWKMLSA-N 0 0 214.268 2.306 10 0 BEAERN CO[C@@H](C)[C@H](C)Nc1nc(C)nc(C)c1F ZINC000309963343 384752952 /nfs/dbraw/zinc/75/29/52/384752952.db2.gz MIAUAXWYTSDMQR-XPUUQOCRSA-N 0 0 227.283 2.068 10 0 BEAERN Cc1ccc([C@H](O)c2cnc3c(c2)CCN3)cc1 ZINC000144233128 384753155 /nfs/dbraw/zinc/75/31/55/384753155.db2.gz GSVRSNHGIUSRDR-AWEZNQCLSA-N 0 0 240.306 2.440 10 0 BEAERN Ic1cccc2c1CCO2 ZINC000144308768 384754709 /nfs/dbraw/zinc/75/47/09/384754709.db2.gz ORCSSLZMMQZTQT-UHFFFAOYSA-N 0 0 246.047 2.226 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000053010019 384759811 /nfs/dbraw/zinc/75/98/11/384759811.db2.gz XJLFQLWHYVFSPY-KWQFWETISA-N 0 0 207.248 2.272 10 0 BEAERN CC[C@@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125998590 384761852 /nfs/dbraw/zinc/76/18/52/384761852.db2.gz UZFKKGDBQHGBSY-GFCCVEGCSA-N 0 0 249.358 2.168 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000103356985 384763258 /nfs/dbraw/zinc/76/32/58/384763258.db2.gz ZGZWYYNYUBBDPQ-SSDOTTSWSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000103357431 384764921 /nfs/dbraw/zinc/76/49/21/384764921.db2.gz WMQKRYMCMWNFTA-GFCCVEGCSA-N 0 0 235.327 2.018 10 0 BEAERN COC[C@@H](C)C(=O)NC1(c2ccccc2)CCC1 ZINC000103362392 384765374 /nfs/dbraw/zinc/76/53/74/384765374.db2.gz HZIKCDKEVQABED-GFCCVEGCSA-N 0 0 247.338 2.465 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000103389648 384767706 /nfs/dbraw/zinc/76/77/06/384767706.db2.gz XPCQGYURMUOJRC-SSDOTTSWSA-N 0 0 230.210 2.153 10 0 BEAERN CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)COC ZINC000103393995 384769066 /nfs/dbraw/zinc/76/90/66/384769066.db2.gz WKZAVCXCRKTLPF-TZMCWYRMSA-N 0 0 249.354 2.406 10 0 BEAERN O=c1cc[nH]c(-c2ccc(Cl)cn2)c1 ZINC000072204257 384820233 /nfs/dbraw/zinc/82/02/33/384820233.db2.gz ISMFUGIAWJMFKA-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)C2(C)CCCCC2)C1 ZINC000335118636 384821687 /nfs/dbraw/zinc/82/16/87/384821687.db2.gz FDTLQFQIEHEPSK-RYUDHWBXSA-N 0 0 239.359 2.186 10 0 BEAERN COc1cc(OC)cc(-c2nnc(Cl)o2)c1 ZINC000071550267 384827654 /nfs/dbraw/zinc/82/76/54/384827654.db2.gz OCFGDDHERHVEQV-UHFFFAOYSA-N 0 0 240.646 2.407 10 0 BEAERN Nc1cncc(-c2ccccc2Cl)n1 ZINC000084026378 384829412 /nfs/dbraw/zinc/82/94/12/384829412.db2.gz LDDYPTSIYZBGIJ-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Clc1cccnc1N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689596 384830118 /nfs/dbraw/zinc/83/01/18/384830118.db2.gz UVBXGRDLSSZGFG-JEZHCXPESA-N 0 0 224.691 2.467 10 0 BEAERN CC[C@@H](NC(=O)c1ccnc(F)c1)C(C)C ZINC000042591858 384830509 /nfs/dbraw/zinc/83/05/09/384830509.db2.gz YUWNLMGESGMNKW-SNVBAGLBSA-N 0 0 224.279 2.385 10 0 BEAERN FC(F)(F)c1n[nH]c2c1CSCC2 ZINC000043463736 384831234 /nfs/dbraw/zinc/83/12/34/384831234.db2.gz IGCMGPKITMQQDA-UHFFFAOYSA-N 0 0 208.208 2.218 10 0 BEAERN CCc1cc(C(N)=O)c(OC)cc1C(F)(F)F ZINC000575704649 384786257 /nfs/dbraw/zinc/78/62/57/384786257.db2.gz XDYSYLKXWJKGQN-UHFFFAOYSA-N 0 0 247.216 2.375 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](O)C2)cc1C ZINC000335080112 384796262 /nfs/dbraw/zinc/79/62/62/384796262.db2.gz BDVZZWGTABFZGD-QMTHXVAHSA-N 0 0 247.338 2.146 10 0 BEAERN CC[C@@H](C)[C@H](C)NC(=O)c1cnn2c1CCCC2 ZINC000126430846 384798596 /nfs/dbraw/zinc/79/85/96/384798596.db2.gz OAHIAGMRCWTTLX-MNOVXSKESA-N 0 0 249.358 2.384 10 0 BEAERN COC(=O)C[C@H](NC(=O)C(C)C)c1ccccc1 ZINC000053659969 384800085 /nfs/dbraw/zinc/80/00/85/384800085.db2.gz XQSWIBXQLYTNIY-LBPRGKRZSA-N 0 0 249.310 2.063 10 0 BEAERN CCCCN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000053674134 384801132 /nfs/dbraw/zinc/80/11/32/384801132.db2.gz NEKREBAJFFCNHL-CQSZACIVSA-N 0 0 246.310 2.254 10 0 BEAERN Cc1cn(-c2ccccc2Cl)nc1N ZINC000054404863 384836820 /nfs/dbraw/zinc/83/68/20/384836820.db2.gz ZWEIWDCOWUIHLT-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Fc1cc(-n2cnc(Br)c2)ccn1 ZINC000072193553 384812439 /nfs/dbraw/zinc/81/24/39/384812439.db2.gz ZGHKVQMMCGACNO-UHFFFAOYSA-N 0 0 242.051 2.169 10 0 BEAERN COc1c(N)cc(OC(F)F)cc1C(C)=O ZINC000575716170 384872612 /nfs/dbraw/zinc/87/26/12/384872612.db2.gz AMAIRJHSHRYKED-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CC(=O)c1c(N)ccc(C)c1OC(F)F ZINC000575716846 384878136 /nfs/dbraw/zinc/87/81/36/384878136.db2.gz KIWYPQIMKIJQFY-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)C3CCC3)C2)c1 ZINC000105856721 384883304 /nfs/dbraw/zinc/88/33/04/384883304.db2.gz AEAXHKOBDZSFLW-CYBMUJFWSA-N 0 0 247.342 2.155 10 0 BEAERN Nc1ccc2c3c(cccc31)C1=NCCN=C21 ZINC000072236478 384841250 /nfs/dbraw/zinc/84/12/50/384841250.db2.gz UZVNTMWYCLJHBU-UHFFFAOYSA-N 0 0 221.263 2.027 10 0 BEAERN CC(C)c1nnc(COc2ccccc2N)[nH]1 ZINC000072237485 384844507 /nfs/dbraw/zinc/84/45/07/384844507.db2.gz YIUHCYIFDXXFBW-UHFFFAOYSA-N 0 0 232.287 2.089 10 0 BEAERN Nc1nc2ncc(Br)cc2s1 ZINC000084225507 384849726 /nfs/dbraw/zinc/84/97/26/384849726.db2.gz KECPYNZPHMOOEP-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN OCc1ccc(OC(F)F)c(Cl)c1 ZINC000043490012 384852011 /nfs/dbraw/zinc/85/20/11/384852011.db2.gz ZTHBALZOOUFWFP-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN COC(=O)c1c(C)ccc(O)c1Cl ZINC000575713154 384855934 /nfs/dbraw/zinc/85/59/34/384855934.db2.gz SSAIMDIUUBGINT-UHFFFAOYSA-N 0 0 200.621 2.141 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCc1ccoc1 ZINC000177053740 384856533 /nfs/dbraw/zinc/85/65/33/384856533.db2.gz BLSACVCAMNQPOB-SNVBAGLBSA-N 0 0 209.289 2.373 10 0 BEAERN COC(=O)c1nc(Cl)sc1Cl ZINC000084311594 384858903 /nfs/dbraw/zinc/85/89/03/384858903.db2.gz ABZRUAHUKQAEIA-UHFFFAOYSA-N 0 0 212.057 2.237 10 0 BEAERN CC[C@@H](C)CC(=O)O[C@H]1CCOC[C@@H]1C ZINC000084403462 384867483 /nfs/dbraw/zinc/86/74/83/384867483.db2.gz JVRAEWPKJKTBPW-VWYCJHECSA-N 0 0 214.305 2.391 10 0 BEAERN O=C1c2ccc(O)cc2C[C@@H]1Cc1ccncc1 ZINC000013736303 384868401 /nfs/dbraw/zinc/86/84/01/384868401.db2.gz QBNIMNDGESXBEA-LBPRGKRZSA-N 0 0 239.274 2.385 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1cnc2ccccc2n1 ZINC000149950843 384955641 /nfs/dbraw/zinc/95/56/41/384955641.db2.gz KABGXJVDHOATJI-NXEZZACHSA-N 0 0 229.283 2.219 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ncnc2ccccc21 ZINC000150027550 384957688 /nfs/dbraw/zinc/95/76/88/384957688.db2.gz HDANHKZJPCGWAG-GXSJLCMTSA-N 0 0 229.283 2.219 10 0 BEAERN COC[C@@H](C)C(=O)Nc1c(F)cc(F)cc1F ZINC000175316155 384892616 /nfs/dbraw/zinc/89/26/16/384892616.db2.gz CTBARXXGZSWRSA-ZCFIWIBFSA-N 0 0 247.216 2.325 10 0 BEAERN Nc1ccc(N)c(Br)c1Cl ZINC000575720469 384895042 /nfs/dbraw/zinc/89/50/42/384895042.db2.gz XEONCDFTGXRHMT-UHFFFAOYSA-N 0 0 221.485 2.267 10 0 BEAERN COC[C@H](C)C(=O)Nc1cccc(F)c1C ZINC000175340642 384896202 /nfs/dbraw/zinc/89/62/02/384896202.db2.gz XRDNVSAQTGURBZ-QMMMGPOBSA-N 0 0 225.263 2.355 10 0 BEAERN C[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000175351318 384898644 /nfs/dbraw/zinc/89/86/44/384898644.db2.gz IHHNZZUQAMZZOU-JTQLQIEISA-N 0 0 247.342 2.162 10 0 BEAERN CCOc1ccc(O)c(N)c1Br ZINC000575722131 384898898 /nfs/dbraw/zinc/89/88/98/384898898.db2.gz GJDUCOZUYSUOSF-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN Nc1cc(N)c(C(F)(F)F)cc1OC(F)F ZINC000575723558 384900898 /nfs/dbraw/zinc/90/08/98/384900898.db2.gz XPKRWNQBKNYUSA-UHFFFAOYSA-N 0 0 242.147 2.471 10 0 BEAERN CCc1c(N)ccc(N)c1Br ZINC000575723275 384901587 /nfs/dbraw/zinc/90/15/87/384901587.db2.gz SKYGPDPRBHVFAD-UHFFFAOYSA-N 0 0 215.094 2.176 10 0 BEAERN CCCc1nnc(N[C@@H](CCO)C(C)C)s1 ZINC000301638362 384903162 /nfs/dbraw/zinc/90/31/62/384903162.db2.gz ANJVTOZUHLWOFT-VIFPVBQESA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1cc(CC)cc(OC)c1N ZINC000575724425 384908970 /nfs/dbraw/zinc/90/89/70/384908970.db2.gz GWKCXKJJRISXBU-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)c1cc(CC)c(C)cc1N ZINC000575724630 384909196 /nfs/dbraw/zinc/90/91/96/384909196.db2.gz MRMAHIXKANAIGT-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN COc1cc(NC(=O)N[C@H]2C[C@H]2C)ccc1F ZINC000187105362 384913440 /nfs/dbraw/zinc/91/34/40/384913440.db2.gz GHTCWXDFSQCLOR-XCBNKYQSSA-N 0 0 238.262 2.364 10 0 BEAERN COc1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1F ZINC000187105417 384913679 /nfs/dbraw/zinc/91/36/79/384913679.db2.gz GHTCWXDFSQCLOR-OIBJUYFYSA-N 0 0 238.262 2.364 10 0 BEAERN Cc1cc(C)c(C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000175522387 384919514 /nfs/dbraw/zinc/91/95/14/384919514.db2.gz JPAANQWIRULVEL-GHMZBOCLSA-N 0 0 237.299 2.194 10 0 BEAERN C/C=C/C=C/C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127579778 384920391 /nfs/dbraw/zinc/92/03/91/384920391.db2.gz HNTMAGRBFWQDRO-XSWIRZJXSA-N 0 0 249.354 2.272 10 0 BEAERN CC(C)CCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177799940 384925142 /nfs/dbraw/zinc/92/51/42/384925142.db2.gz SZKRRUBKFORSNR-CYBMUJFWSA-N 0 0 249.358 2.310 10 0 BEAERN COc1ccc(C)c(N)c1OC(F)(F)F ZINC000575730666 384926632 /nfs/dbraw/zinc/92/66/32/384926632.db2.gz ZUDCQTVLBXDUPF-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2cc(C)ncn2)C1 ZINC000301761978 384933196 /nfs/dbraw/zinc/93/31/96/384933196.db2.gz GITLNZSHRLYLEF-GHMZBOCLSA-N 0 0 221.304 2.155 10 0 BEAERN Cc1nc(CNc2cnccn2)c(C)s1 ZINC000301851718 384937255 /nfs/dbraw/zinc/93/72/55/384937255.db2.gz XGHODPUIIVONMX-UHFFFAOYSA-N 0 0 220.301 2.162 10 0 BEAERN Cn1nccc1NC(=O)C(C)(C)c1cccs1 ZINC000115050809 384937986 /nfs/dbraw/zinc/93/79/86/384937986.db2.gz IEXVNRPGKHDJGL-UHFFFAOYSA-N 0 0 249.339 2.398 10 0 BEAERN C[C@H](O)C(C)(C)NC(=O)c1sccc1Cl ZINC000128475735 384944167 /nfs/dbraw/zinc/94/41/67/384944167.db2.gz VGWRPTZFSYHGON-LURJTMIESA-N 0 0 247.747 2.291 10 0 BEAERN CCn1ccnc1C[S@](=O)[C@H](C)C(C)C ZINC000177296168 384947284 /nfs/dbraw/zinc/94/72/84/384947284.db2.gz NDRAOQJHIPGCDA-BMIGLBTASA-N 0 0 228.361 2.196 10 0 BEAERN Cc1cc(CNCc2ccccn2)sn1 ZINC000404422272 384991098 /nfs/dbraw/zinc/99/10/98/384991098.db2.gz TZCSPAVROLYWGY-UHFFFAOYSA-N 0 0 219.313 2.136 10 0 BEAERN Clc1cncc(N[C@@H]2C[C@H]3OCCC[C@@H]23)n1 ZINC000302575225 384997833 /nfs/dbraw/zinc/99/78/33/384997833.db2.gz RJZHNZCUFSDGPU-DJLDLDEBSA-N 0 0 239.706 2.109 10 0 BEAERN C[C@]1(CO)CCC[C@@H]1Nc1ncncc1Cl ZINC000302616261 385002342 /nfs/dbraw/zinc/00/23/42/385002342.db2.gz GAHVJUBHZKEBKU-GXSJLCMTSA-N 0 0 241.722 2.093 10 0 BEAERN Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)co1 ZINC000188424255 385049848 /nfs/dbraw/zinc/04/98/48/385049848.db2.gz HYBZORLAOFAVQH-CHWSQXEVSA-N 0 0 249.310 2.372 10 0 BEAERN CO[C@H](C)c1nsc(N[C@H]2C[C@H]2C)n1 ZINC000306530691 385062364 /nfs/dbraw/zinc/06/23/64/385062364.db2.gz DRSUFSPYWFGDPW-QYNIQEEDSA-N 0 0 213.306 2.066 10 0 BEAERN Cc1nn(C)c(C)c1/C=C/C(=O)OC(C)C ZINC000058869147 385033175 /nfs/dbraw/zinc/03/31/75/385033175.db2.gz KOQQXRTTWPZYLZ-VOTSOKGWSA-N 0 0 222.288 2.002 10 0 BEAERN O=C1CCC[C@H](c2ccc(F)cc2)CN1 ZINC000059190474 385040436 /nfs/dbraw/zinc/04/04/36/385040436.db2.gz BZKXEPQEBORQRZ-JTQLQIEISA-N 0 0 207.248 2.209 10 0 BEAERN c1cnc2n[nH]c(CO[C@@H]3CCCCO3)c2c1 ZINC000059043883 385040714 /nfs/dbraw/zinc/04/07/14/385040714.db2.gz DTTGMZNLJTYNOP-LLVKDONJSA-N 0 0 233.271 2.001 10 0 BEAERN COCc1nnc(N[C@@H](C)C(C)C)s1 ZINC000308739937 385047418 /nfs/dbraw/zinc/04/74/18/385047418.db2.gz NXZNXBRQBIQAIR-ZETCQYMHSA-N 0 0 215.322 2.141 10 0 BEAERN C[C@H](CSC[C@@H](O)CO)C1CCCCC1 ZINC000310549564 385109786 /nfs/dbraw/zinc/10/97/86/385109786.db2.gz FXWAXRWTXPZIRL-PWSUYJOCSA-N 0 0 232.389 2.289 10 0 BEAERN CC(C)N(C[C@H](C)O)C(=O)Nc1ccccc1 ZINC000109845479 385110076 /nfs/dbraw/zinc/11/00/76/385110076.db2.gz LPGOMVMDHAQLLU-NSHDSACASA-N 0 0 236.315 2.310 10 0 BEAERN O=C(C=C1CCC1)N[C@H]1COc2ccccc21 ZINC000129312106 385137738 /nfs/dbraw/zinc/13/77/38/385137738.db2.gz BQWRNNPTMIHHSB-LBPRGKRZSA-N 0 0 229.279 2.347 10 0 BEAERN Cc1c(CCC(=O)N2CCCC2(C)C)cnn1C ZINC000128899942 385086078 /nfs/dbraw/zinc/08/60/78/385086078.db2.gz SSJFVPFNZSDZAO-UHFFFAOYSA-N 0 0 249.358 2.062 10 0 BEAERN CCOC(=O)Cc1cc(OC)c(C)cc1OC ZINC000259294263 385086594 /nfs/dbraw/zinc/08/65/94/385086594.db2.gz JWIXVEKZDCREKY-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN Cc1cc(-c2ccccn2)nc(=S)[nH]1 ZINC000062202985 385089495 /nfs/dbraw/zinc/08/94/95/385089495.db2.gz MDHRAOSVWZHMPR-UHFFFAOYSA-N 0 0 203.270 2.136 10 0 BEAERN COc1ncccc1CN[C@H](C)c1cncs1 ZINC000128942945 385089707 /nfs/dbraw/zinc/08/97/07/385089707.db2.gz YIWDKPPRIMUWBU-SECBINFHSA-N 0 0 249.339 2.398 10 0 BEAERN COc1ncccc1CN[C@@H](C)c1cncs1 ZINC000128942694 385090626 /nfs/dbraw/zinc/09/06/26/385090626.db2.gz YIWDKPPRIMUWBU-VIFPVBQESA-N 0 0 249.339 2.398 10 0 BEAERN CC(C)(C)c1nnc(SCC(=O)C2CC2)[nH]1 ZINC000109197838 385140519 /nfs/dbraw/zinc/14/05/19/385140519.db2.gz DAJBDUDBJHYQNF-UHFFFAOYSA-N 0 0 239.344 2.173 10 0 BEAERN COC(=O)C[C@@H](C)SC[C@@H](O)C(C)(C)C ZINC000308788291 385105776 /nfs/dbraw/zinc/10/57/76/385105776.db2.gz HGJZBPBKIUFYSI-RKDXNWHRSA-N 0 0 234.361 2.078 10 0 BEAERN CCN(C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000109706554 385186881 /nfs/dbraw/zinc/18/68/81/385186881.db2.gz OIFPFKHVWYMCRH-JTQLQIEISA-N 0 0 233.233 2.436 10 0 BEAERN CC(C)OC(=O)NCCC1(F)CCC1 ZINC000497153803 385190587 /nfs/dbraw/zinc/19/05/87/385190587.db2.gz OSWAIQSCTZZRFB-UHFFFAOYSA-N 0 0 203.257 2.403 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)CC1CCCC1 ZINC000305052602 385192046 /nfs/dbraw/zinc/19/20/46/385192046.db2.gz FGYISLOBNJMZOZ-LLVKDONJSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H](Cc1ccccc1)N1CCC(=O)CC1 ZINC000062187358 385162323 /nfs/dbraw/zinc/16/23/23/385162323.db2.gz GGUGTDILXPSMFH-LBPRGKRZSA-N 0 0 217.312 2.283 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000189643093 385172232 /nfs/dbraw/zinc/17/22/32/385172232.db2.gz GXKRWTRLAGYGCR-RYUDHWBXSA-N 0 0 248.326 2.452 10 0 BEAERN Cc1cc(C)nc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000189643036 385173466 /nfs/dbraw/zinc/17/34/66/385173466.db2.gz GXKRWTRLAGYGCR-VXGBXAGGSA-N 0 0 248.326 2.452 10 0 BEAERN COC(=O)c1cc(C)ncc1OC(F)(F)F ZINC000390156046 385180010 /nfs/dbraw/zinc/18/00/10/385180010.db2.gz WOGFHIFQAJJLII-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)c1ccccc1 ZINC000190242672 385223379 /nfs/dbraw/zinc/22/33/79/385223379.db2.gz QBYOKECIJIDJKE-WCQYABFASA-N 0 0 233.311 2.465 10 0 BEAERN CC[C@H](SC[C@@H](O)CO)c1ccc(F)cc1 ZINC000177427866 385237679 /nfs/dbraw/zinc/23/76/79/385237679.db2.gz KUYAWUVXDNXYPN-RYUDHWBXSA-N 0 0 244.331 2.363 10 0 BEAERN Cc1nnc(Sc2ccccc2N)o1 ZINC000051037586 385257562 /nfs/dbraw/zinc/25/75/62/385257562.db2.gz NHDVIVOOCQXWPJ-UHFFFAOYSA-N 0 0 207.258 2.111 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000336401462 385255314 /nfs/dbraw/zinc/25/53/14/385255314.db2.gz OZJWQEAFFDIFIX-AOOOYVTPSA-N 0 0 235.306 2.325 10 0 BEAERN CC(=O)c1ccc(NC(=O)[C@@H]2CC2(C)C)nc1 ZINC000131171271 385313168 /nfs/dbraw/zinc/31/31/68/385313168.db2.gz SOOQLRALIDJYHD-JTQLQIEISA-N 0 0 232.283 2.269 10 0 BEAERN CS[C@H](C)C(=O)NCCC1=CCCC1 ZINC000131160440 385314712 /nfs/dbraw/zinc/31/47/12/385314712.db2.gz QPMSGGFRNCXDHI-SECBINFHSA-N 0 0 213.346 2.355 10 0 BEAERN O=C1C[C@@H](c2cccs2)SCCN1 ZINC000307440509 385320188 /nfs/dbraw/zinc/32/01/88/385320188.db2.gz XUNSEHOUBIZXFA-QMMMGPOBSA-N 0 0 213.327 2.042 10 0 BEAERN Clc1nccc(NCc2ccncc2)n1 ZINC000051849423 385320339 /nfs/dbraw/zinc/32/03/39/385320339.db2.gz IWUFOUYNIVZNAH-UHFFFAOYSA-N 0 0 220.663 2.137 10 0 BEAERN Nc1ccc(C([O-])=C2CCCCC2=O)cc1 ZINC000238634167 385259454 /nfs/dbraw/zinc/25/94/54/385259454.db2.gz ANWZGMTWCOJSFA-LLVKDONJSA-N 0 0 217.268 2.211 10 0 BEAERN FC(F)(F)n1nccc1Br ZINC000575601962 385265684 /nfs/dbraw/zinc/26/56/84/385265684.db2.gz SPYOJJNKXBXCET-UHFFFAOYSA-N 0 0 214.972 2.122 10 0 BEAERN O[C@@H](c1cnccc1Br)C(F)F ZINC000575601390 385267595 /nfs/dbraw/zinc/26/75/95/385267595.db2.gz DEJDNURWXBGSJV-LURJTMIESA-N 0 0 238.031 2.143 10 0 BEAERN Cc1ccccc1OC[C@H](O)COC(C)C ZINC000033852171 385271245 /nfs/dbraw/zinc/27/12/45/385271245.db2.gz LCTSOABYLNTYGL-GFCCVEGCSA-N 0 0 224.300 2.160 10 0 BEAERN FC1(F)CC(c2nc([C@H]3CCCO3)no2)C1 ZINC000336414138 385278781 /nfs/dbraw/zinc/27/87/81/385278781.db2.gz JKBYXTOPJFYOTI-SSDOTTSWSA-N 0 0 230.214 2.434 10 0 BEAERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1F ZINC000153808282 385281268 /nfs/dbraw/zinc/28/12/68/385281268.db2.gz YSEUIZOSHDSDDH-NSHDSACASA-N 0 0 225.263 2.171 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000128169006 385284645 /nfs/dbraw/zinc/28/46/45/385284645.db2.gz AULAXUOXHOEPKW-WDEREUQCSA-N 0 0 208.232 2.492 10 0 BEAERN Cc1cnn(-c2ccc(Br)nc2)c1 ZINC000072192998 385292600 /nfs/dbraw/zinc/29/26/00/385292600.db2.gz UKZIFZSCLFQAFD-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN O=c1[nH]c(-c2cc(F)cc(F)c2)cs1 ZINC000072191793 385293188 /nfs/dbraw/zinc/29/31/88/385293188.db2.gz VCLDBLXCAKRZDF-UHFFFAOYSA-N 0 0 213.208 2.382 10 0 BEAERN C[C@H](NC(=O)C1CCCCC1)c1ccon1 ZINC000408057660 385334454 /nfs/dbraw/zinc/33/44/54/385334454.db2.gz XPIOHOUIECXDET-VIFPVBQESA-N 0 0 222.288 2.432 10 0 BEAERN COC[C@@H](C)C(=O)NCCc1cc(C)cc(C)c1 ZINC000131544974 385342597 /nfs/dbraw/zinc/34/25/97/385342597.db2.gz YQMOFQNRZWBVLF-CYBMUJFWSA-N 0 0 249.354 2.245 10 0 BEAERN Cn1cc([C@H]2CCC[N@@H+]2Cc2ccco2)cn1 ZINC000131809856 385362610 /nfs/dbraw/zinc/36/26/10/385362610.db2.gz PYPTVAFXOCTUOT-CYBMUJFWSA-N 0 0 231.299 2.350 10 0 BEAERN C[C@H](C(=O)N[C@@H]1COc2ccccc21)C1CC1 ZINC000178459389 385375563 /nfs/dbraw/zinc/37/55/63/385375563.db2.gz VJMPROLGQIFVKS-JOYOIKCWSA-N 0 0 231.295 2.282 10 0 BEAERN C[C@@H](C(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000178459421 385375570 /nfs/dbraw/zinc/37/55/70/385375570.db2.gz VJMPROLGQIFVKS-SKDRFNHKSA-N 0 0 231.295 2.282 10 0 BEAERN FCCN[C@H](Cc1ccccc1)C(F)F ZINC000280908113 385381340 /nfs/dbraw/zinc/38/13/40/385381340.db2.gz CUGXAKFITGVNOG-SNVBAGLBSA-N 0 0 217.234 2.422 10 0 BEAERN COc1nn(C)cc1N[C@H](C)CC(C)C ZINC000309085534 385410155 /nfs/dbraw/zinc/41/01/55/385410155.db2.gz XAZVTNGBWTWSMR-SECBINFHSA-N 0 0 211.309 2.275 10 0 BEAERN CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1C ZINC000194012484 385420766 /nfs/dbraw/zinc/42/07/66/385420766.db2.gz XLECEBZQZGZCGK-TVQRCGJNSA-N 0 0 231.295 2.336 10 0 BEAERN Cc1csc([C@@H]2CN(CC3CC3)CCO2)n1 ZINC000155939260 385421446 /nfs/dbraw/zinc/42/14/46/385421446.db2.gz LQJDXVNWUMQKIN-NSHDSACASA-N 0 0 238.356 2.235 10 0 BEAERN COC[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000170805872 385447302 /nfs/dbraw/zinc/44/73/02/385447302.db2.gz DWCNOZFUOYHPSM-WXHSDQCUSA-N 0 0 248.326 2.082 10 0 BEAERN Cc1nc(CN[C@@H](C)c2cccs2)no1 ZINC000182542727 385458029 /nfs/dbraw/zinc/45/80/29/385458029.db2.gz JLCPSJJGVNXORE-ZETCQYMHSA-N 0 0 223.301 2.290 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H]2C)o1 ZINC000170806409 385448384 /nfs/dbraw/zinc/44/83/84/385448384.db2.gz RSSMPLOJKCRWJI-HGNGGELXSA-N 0 0 222.288 2.357 10 0 BEAERN Brc1noc(C2CCCC2)n1 ZINC000156581786 385458315 /nfs/dbraw/zinc/45/83/15/385458315.db2.gz CXNJGVNUNLQORD-UHFFFAOYSA-N 0 0 217.066 2.490 10 0 BEAERN COC(=O)c1[nH]cc(-c2ccccc2C)c1N ZINC000328579333 385488197 /nfs/dbraw/zinc/48/81/97/385488197.db2.gz BFLCYUIGZBXSOJ-UHFFFAOYSA-N 0 0 230.267 2.359 10 0 BEAERN Brc1nc(-c2cnccn2)cs1 ZINC000156823382 385470372 /nfs/dbraw/zinc/47/03/72/385470372.db2.gz URNYKOULKDZMLR-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nnc(COC)s1 ZINC000309212703 385481936 /nfs/dbraw/zinc/48/19/36/385481936.db2.gz TUPCKLPRMGYWLT-SFYZADRCSA-N 0 0 227.333 2.285 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000171435545 385485026 /nfs/dbraw/zinc/48/50/26/385485026.db2.gz QXFZREMXSKHINJ-SMDDNHRTSA-N 0 0 247.338 2.415 10 0 BEAERN Brc1noc([C@@H]2CCCS2)n1 ZINC000156583180 385460446 /nfs/dbraw/zinc/46/04/46/385460446.db2.gz WHXMRQVLECDCNT-BYPYZUCNSA-N 0 0 235.106 2.400 10 0 BEAERN CSCCn1c2ccccc2nc1[C@@H](C)O ZINC000171037521 385463463 /nfs/dbraw/zinc/46/34/63/385463463.db2.gz ATDMEDKKODXXMJ-SECBINFHSA-N 0 0 236.340 2.453 10 0 BEAERN CC(C)c1nccc(N(C)C[C@H]2CCCO2)n1 ZINC000110491432 385493447 /nfs/dbraw/zinc/49/34/47/385493447.db2.gz HWDBLCIDRHZVQP-LLVKDONJSA-N 0 0 235.331 2.215 10 0 BEAERN CC(C)c1nccc(N2CCC([C@H](C)O)CC2)n1 ZINC000110600066 385495211 /nfs/dbraw/zinc/49/52/11/385495211.db2.gz NMQXTUYSXQTGTD-NSHDSACASA-N 0 0 249.358 2.197 10 0 BEAERN Cc1ccoc1C(=O)N1CCS[C@@H](C)C1 ZINC000171575857 385498165 /nfs/dbraw/zinc/49/81/65/385498165.db2.gz VAGUMIJIPVLFMH-VIFPVBQESA-N 0 0 225.313 2.166 10 0 BEAERN Nc1cc(Br)ccc1[C@H](O)C1CC1 ZINC000258161984 385548336 /nfs/dbraw/zinc/54/83/36/385548336.db2.gz FXHPCCNDZRIOCD-SNVBAGLBSA-N 0 0 242.116 2.475 10 0 BEAERN Cc1cnc(CN2[C@H](C)COC[C@H]2C)s1 ZINC000180506988 385527582 /nfs/dbraw/zinc/52/75/82/385527582.db2.gz ABSWWVDGFOGXCO-RKDXNWHRSA-N 0 0 226.345 2.061 10 0 BEAERN COC(=O)c1ccc(C(=O)C2CCC2)cc1 ZINC000258197750 385553221 /nfs/dbraw/zinc/55/32/21/385553221.db2.gz DGYBDPQFVUSQTB-UHFFFAOYSA-N 0 0 218.252 2.456 10 0 BEAERN CCNc1ncc(Br)s1 ZINC000062797011 385563650 /nfs/dbraw/zinc/56/36/50/385563650.db2.gz ROSJETDZYVIRJF-UHFFFAOYSA-N 0 0 207.096 2.337 10 0 BEAERN CC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181243749 385567320 /nfs/dbraw/zinc/56/73/20/385567320.db2.gz RMCPIYTXVLXFTI-NOZJJQNGSA-N 0 0 203.285 2.364 10 0 BEAERN O=C(NC1CCCCCC1)n1ccnc1 ZINC000036963119 385593703 /nfs/dbraw/zinc/59/37/03/385593703.db2.gz MTQPXTPONREQFL-UHFFFAOYSA-N 0 0 207.277 2.164 10 0 BEAERN Nc1ccccc1-c1cn2c(CO)csc2n1 ZINC000202841731 385604813 /nfs/dbraw/zinc/60/48/13/385604813.db2.gz KVFJHSIEIRSBFR-UHFFFAOYSA-N 0 0 245.307 2.137 10 0 BEAERN C[C@@H](NC(=O)[C@H](C)c1ccccc1)[C@H]1CCCO1 ZINC000181950204 385622754 /nfs/dbraw/zinc/62/27/54/385622754.db2.gz UIKBYENWINJJOH-YRGRVCCFSA-N 0 0 247.338 2.474 10 0 BEAERN Cc1ccc(F)c([C@H]2NCCc3nc[nH]c32)c1 ZINC000065436209 385629995 /nfs/dbraw/zinc/62/99/95/385629995.db2.gz NDIYGFDVTHWRHE-GFCCVEGCSA-N 0 0 231.274 2.092 10 0 BEAERN COC(=O)c1c(F)c(Cl)ccc1OC ZINC000259975483 385634038 /nfs/dbraw/zinc/63/40/38/385634038.db2.gz HLNXSWGYTGUAQD-UHFFFAOYSA-N 0 0 218.611 2.274 10 0 BEAERN CC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197704 385608414 /nfs/dbraw/zinc/60/84/14/385608414.db2.gz JLZYPWPULJMKOW-ZJUUUORDSA-N 0 0 238.335 2.083 10 0 BEAERN C[C@H]1CC(CNC(=O)c2ccco2)C[C@H](C)O1 ZINC000281394761 385665873 /nfs/dbraw/zinc/66/58/73/385665873.db2.gz VRMUBBTXDXUJCG-UWVGGRQHSA-N 0 0 237.299 2.213 10 0 BEAERN CCOC(=O)Cc1cc(F)c(F)c(F)c1OC ZINC000260037181 385657596 /nfs/dbraw/zinc/65/75/96/385657596.db2.gz HZVWMZNSAPPQFS-UHFFFAOYSA-N 0 0 248.200 2.218 10 0 BEAERN Cc1ccc([C@H](C)NCC(=O)OCC(C)C)o1 ZINC000182576555 385684262 /nfs/dbraw/zinc/68/42/62/385684262.db2.gz RUJVTWLADZFDPB-NSHDSACASA-N 0 0 239.315 2.438 10 0 BEAERN CC[C@H](Cc1ccc(OC)cc1)C(=O)OC ZINC000259201393 385744425 /nfs/dbraw/zinc/74/44/25/385744425.db2.gz GBABIIWZJFJAOR-LLVKDONJSA-N 0 0 222.284 2.437 10 0 BEAERN Cc1cc(=O)[nH]cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000128535119 385755062 /nfs/dbraw/zinc/75/50/62/385755062.db2.gz OGHWKKXKPSMMOH-PHIMTYICSA-N 0 0 248.326 2.086 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCc3occc32)O1 ZINC000128542399 385757483 /nfs/dbraw/zinc/75/74/83/385757483.db2.gz SIJCRVCYAJOEEB-XWIASGKRSA-N 0 0 249.310 2.341 10 0 BEAERN Nc1c(Cl)ncnc1OCc1ccccc1 ZINC000062364842 385771754 /nfs/dbraw/zinc/77/17/54/385771754.db2.gz WYIZDWGRGFUMSQ-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN CCCc1nsc(NC[C@H](O)C(C)(C)C)n1 ZINC000309658905 385778690 /nfs/dbraw/zinc/77/86/90/385778690.db2.gz QRXPJFANGNQVFR-QMMMGPOBSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1cc(OC)cc(OC)c1C ZINC000260172608 385726257 /nfs/dbraw/zinc/72/62/57/385726257.db2.gz STNYNOFDWJNKHQ-UHFFFAOYSA-N 0 0 224.256 2.189 10 0 BEAERN COC(=O)Cc1cc(F)c(F)c(Cl)c1F ZINC000260439796 385857450 /nfs/dbraw/zinc/85/74/50/385857450.db2.gz WIVQXTVGZDIHNQ-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)N1CCSCC1 ZINC000112042884 385831207 /nfs/dbraw/zinc/83/12/07/385831207.db2.gz WCHBKAIDFYGHAO-GFCCVEGCSA-N 0 0 249.379 2.441 10 0 BEAERN COC(=O)Cc1cc(C)cc(O)c1Cl ZINC000260332076 385832921 /nfs/dbraw/zinc/83/29/21/385832921.db2.gz ZCRQVPDXJZUIPS-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN COc1cc(F)c(/C=C/[N+](=O)[O-])c(F)c1 ZINC000261508482 385835302 /nfs/dbraw/zinc/83/53/02/385835302.db2.gz TUJQVDNFDKDGQA-NSCUHMNNSA-N 0 0 215.155 2.221 10 0 BEAERN COC(=O)[C@]1(C)CC[C@@](C(=O)OC)(C(C)C)C1 ZINC000216078024 385858266 /nfs/dbraw/zinc/85/82/66/385858266.db2.gz DZSWKBZPPVWXQL-OLZOCXBDSA-N 0 0 242.315 2.165 10 0 BEAERN CC[C@@H](NC(=O)c1cccc(F)n1)C(C)C ZINC000122978496 385840558 /nfs/dbraw/zinc/84/05/58/385840558.db2.gz SXQMXPIBMKGOBV-SECBINFHSA-N 0 0 224.279 2.385 10 0 BEAERN C[C@H](CC(=O)NCC1(C)COC1)c1ccccc1 ZINC000112621651 385848446 /nfs/dbraw/zinc/84/84/46/385848446.db2.gz SWICHLSKELBJLO-GFCCVEGCSA-N 0 0 247.338 2.333 10 0 BEAERN CCOC(=O)c1cc(C)c(F)c(OC)c1 ZINC000260142037 385789558 /nfs/dbraw/zinc/78/95/58/385789558.db2.gz MVRMZKWCLHMOLL-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN COC(=O)Cc1cc(O)cc(C)c1Cl ZINC000260244709 385797624 /nfs/dbraw/zinc/79/76/24/385797624.db2.gz ZJCVAIJSGWCNQK-UHFFFAOYSA-N 0 0 214.648 2.070 10 0 BEAERN CCc1ccc(-c2nccc(N)n2)s1 ZINC000051717062 385889330 /nfs/dbraw/zinc/88/93/30/385889330.db2.gz FPXWQZIKZYOQST-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN CCc1ccc(-c2ncc(N)cn2)s1 ZINC000051716788 385889690 /nfs/dbraw/zinc/88/96/90/385889690.db2.gz ZXNZWOUCEKYUEP-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN COCC[C@H](C)NC(=O)N1CCCC(C)(C)C1 ZINC000112747500 385893794 /nfs/dbraw/zinc/89/37/94/385893794.db2.gz VQHAKUDWMMOLPE-NSHDSACASA-N 0 0 242.363 2.243 10 0 BEAERN Cc1cc(C=O)ccc1-c1ccn(C)n1 ZINC000231978174 385927249 /nfs/dbraw/zinc/92/72/49/385927249.db2.gz AWVJUPDWKZRKJC-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN CCc1cccc2c(C)cc(=NN)[nH]c12 ZINC000040175118 385862391 /nfs/dbraw/zinc/86/23/91/385862391.db2.gz ZSAAHQZGRBDKFJ-UHFFFAOYSA-N 0 0 201.273 2.391 10 0 BEAERN CCN(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000121955083 385872730 /nfs/dbraw/zinc/87/27/30/385872730.db2.gz JLLYMUQMEDAJSA-VIFPVBQESA-N 0 0 210.277 2.310 10 0 BEAERN FC(F)(F)c1c[nH]c(NCc2cncs2)n1 ZINC000284014970 385882149 /nfs/dbraw/zinc/88/21/49/385882149.db2.gz KKTSCRODVQWPQE-UHFFFAOYSA-N 0 0 248.233 2.497 10 0 BEAERN Cc1ccc(C(=O)NCc2cscn2)cc1O ZINC000111630058 385970602 /nfs/dbraw/zinc/97/06/02/385970602.db2.gz KOPOVIFRWSJCPX-UHFFFAOYSA-N 0 0 248.307 2.087 10 0 BEAERN O=C(NC1CCCC1)C1(Br)CCC1 ZINC000307673356 385973933 /nfs/dbraw/zinc/97/39/33/385973933.db2.gz DCCVFCULCAOBAR-UHFFFAOYSA-N 0 0 246.148 2.363 10 0 BEAERN COC[C@H](C)C(=O)NCC(C)(C)C(C)C ZINC000189447477 385999351 /nfs/dbraw/zinc/99/93/51/385999351.db2.gz BCTQPTJFSKYURS-JTQLQIEISA-N 0 0 215.337 2.067 10 0 BEAERN COC(=O)c1c(O)c(F)ccc1Br ZINC000261164559 386009885 /nfs/dbraw/zinc/00/98/85/386009885.db2.gz YCFPKMLDAJDSGW-UHFFFAOYSA-N 0 0 249.035 2.080 10 0 BEAERN COC(=O)Cc1csc(Br)c1 ZINC000261279288 386015982 /nfs/dbraw/zinc/01/59/82/386015982.db2.gz NZOUIZBQVGRRPE-UHFFFAOYSA-N 0 0 235.102 2.226 10 0 BEAERN Clc1nccc(NCC[C@H]2CCCO2)n1 ZINC000051850203 386029789 /nfs/dbraw/zinc/02/97/89/386029789.db2.gz AFASFLVJQHZWTC-MRVPVSSYSA-N 0 0 227.695 2.111 10 0 BEAERN Cc1nc(C(=O)N2C[C@H]3CCC[C@@H]32)c(C)s1 ZINC000334454047 386104082 /nfs/dbraw/zinc/10/40/82/386104082.db2.gz DXMMMIVSDKLVOZ-ZJUUUORDSA-N 0 0 236.340 2.384 10 0 BEAERN CC(=O)c1ccc(N2CCCSCC2)nc1 ZINC000124675816 386118446 /nfs/dbraw/zinc/11/84/46/386118446.db2.gz KXTVQAVBTDKAJL-UHFFFAOYSA-N 0 0 236.340 2.228 10 0 BEAERN C[C@H](O)C(=O)c1c(F)c(F)ccc1Cl ZINC000307714742 386071361 /nfs/dbraw/zinc/07/13/61/386071361.db2.gz DQWPLEWFPLCXQW-BYPYZUCNSA-N 0 0 220.602 2.182 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1nccn2nc(C)cc12 ZINC000129362204 386072156 /nfs/dbraw/zinc/07/21/56/386072156.db2.gz VIGKMZSPJJZJEA-PWSUYJOCSA-N 0 0 246.314 2.017 10 0 BEAERN CC1(C)OCC[C@@]1(O)Cc1ccsc1 ZINC000307717599 386095222 /nfs/dbraw/zinc/09/52/22/386095222.db2.gz JYLVPGWAETYJLU-LLVKDONJSA-N 0 0 212.314 2.221 10 0 BEAERN NN=c1nc(-c2csc(Cl)c2)cc[nH]1 ZINC000307361552 386171366 /nfs/dbraw/zinc/17/13/66/386171366.db2.gz HRIVAXCCBJLAMU-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN CCC[C@H](O)Cc1nc([C@@H]2CC23CC3)no1 ZINC000351293760 386185886 /nfs/dbraw/zinc/18/58/86/386185886.db2.gz UMHWVUIJZGCQTG-IUCAKERBSA-N 0 0 222.288 2.041 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@H](C)[C@@H]1C ZINC000307182231 386131330 /nfs/dbraw/zinc/13/13/30/386131330.db2.gz NSOZMPRKEKNHTF-ACLDMZEESA-N 0 0 201.697 2.290 10 0 BEAERN CC[C@H](OC1CCCC1)C(=O)N[C@H]1C[C@@H]1C ZINC000112896606 386141699 /nfs/dbraw/zinc/14/16/99/386141699.db2.gz WQJVKBIGEBPYHH-DLOVCJGASA-N 0 0 225.332 2.249 10 0 BEAERN Fc1c[nH]c(=S)nc1-c1cncs1 ZINC000575578079 386203396 /nfs/dbraw/zinc/20/33/96/386203396.db2.gz YCYHDIJCIFDRQP-UHFFFAOYSA-N 0 0 213.262 2.028 10 0 BEAERN O=C1N=NC(c2ccsc2Br)O1 ZINC000575577837 386205225 /nfs/dbraw/zinc/20/52/25/386205225.db2.gz OCCAGPLCERKABQ-UHFFFAOYSA-N 0 0 247.073 2.266 10 0 BEAERN CCOC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000106931640 386205710 /nfs/dbraw/zinc/20/57/10/386205710.db2.gz PJGRLHKICHVEIJ-NWDGAFQWSA-N 0 0 220.268 2.362 10 0 BEAERN Cc1nc(N)c2ccc(Br)cc2n1 ZINC000235971633 386213372 /nfs/dbraw/zinc/21/33/72/386213372.db2.gz BITWYWGWWLBGNP-UHFFFAOYSA-N 0 0 238.088 2.283 10 0 BEAERN CCc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(O)c1 ZINC000190998065 386194834 /nfs/dbraw/zinc/19/48/34/386194834.db2.gz FOBFQHCOEVGNSI-KWQFWETISA-N 0 0 219.284 2.093 10 0 BEAERN CO[C@@H]1CN(C(C)C)c2ccccc2N1 ZINC000616681657 386263594 /nfs/dbraw/zinc/26/35/94/386263594.db2.gz SEQHRAAHHRSISX-GFCCVEGCSA-N 0 0 206.289 2.299 10 0 BEAERN O=C1CCCC[C@H]1S[C@H]1CCOC1 ZINC000575595118 386370432 /nfs/dbraw/zinc/37/04/32/386370432.db2.gz VROWQWFXZCWVED-WCBMZHEXSA-N 0 0 200.303 2.020 10 0 BEAERN CC(C)c1ccccc1[C@@H]1COCC1=O ZINC000521400431 386447691 /nfs/dbraw/zinc/44/76/91/386447691.db2.gz MHHXDPULIWVVGF-LBPRGKRZSA-N 0 0 204.269 2.493 10 0 BEAERN CC(C)c1ccc([C@@H]2COCC2=O)cc1 ZINC000521400443 386448323 /nfs/dbraw/zinc/44/83/23/386448323.db2.gz MMSCKUDQCPTFLZ-LBPRGKRZSA-N 0 0 204.269 2.493 10 0 BEAERN CCc1ccc(C(=O)N2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399278299 386476534 /nfs/dbraw/zinc/47/65/34/386476534.db2.gz YVYDFVICMJXQDF-SMDDNHRTSA-N 0 0 247.338 2.234 10 0 BEAERN COc1cc(C)cnc1C(=O)OC(C)(C)C ZINC000299890025 386497703 /nfs/dbraw/zinc/49/77/03/386497703.db2.gz SLRPYOKYZPPSAH-UHFFFAOYSA-N 0 0 223.272 2.354 10 0 BEAERN COc1nn(C)c2c1cccc2Br ZINC000299889255 386498347 /nfs/dbraw/zinc/49/83/47/386498347.db2.gz GMXBXFSHSBTVJP-UHFFFAOYSA-N 0 0 241.088 2.344 10 0 BEAERN CC(C)(C)C(=O)Nc1nnc(Cl)s1 ZINC000299889877 386498455 /nfs/dbraw/zinc/49/84/55/386498455.db2.gz QDXPZAXJRFCQAJ-UHFFFAOYSA-N 0 0 219.697 2.176 10 0 BEAERN C[C@@H](NC(=O)NC1CCCCC1)[C@H]1CCOC1 ZINC000135303861 386499598 /nfs/dbraw/zinc/49/95/98/386499598.db2.gz UYSALJLUOAJPJU-MNOVXSKESA-N 0 0 240.347 2.043 10 0 BEAERN CC(C)[C@H]1CCN(C(=O)c2cccc(N)c2)C1 ZINC000135287990 386500504 /nfs/dbraw/zinc/50/05/04/386500504.db2.gz AXSFSJQYXHZGQU-LBPRGKRZSA-N 0 0 232.327 2.387 10 0 BEAERN C[C@H](CC(=O)[O-])C[C@@H]([NH3+])C1CCCCC1 ZINC000521401446 386457657 /nfs/dbraw/zinc/45/76/57/386457657.db2.gz HQBYJHOLQQFRCL-GXSJLCMTSA-N 0 0 213.321 2.395 10 0 BEAERN Cc1ccc(C)c(C(=O)N2C[C@H](O)CC[C@@H]2C)c1 ZINC000399215368 386457909 /nfs/dbraw/zinc/45/79/09/386457909.db2.gz HOSTZRNYVPPLPR-QWHCGFSZSA-N 0 0 247.338 2.289 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2C[C@H](O)CC[C@@H]2C)C1 ZINC000399230783 386464337 /nfs/dbraw/zinc/46/43/37/386464337.db2.gz GBBZXWQWNPOSFU-MROQNXINSA-N 0 0 239.359 2.185 10 0 BEAERN N#CCc1cc(C=O)c(C#N)cc1OC(F)F ZINC000575640959 386574258 /nfs/dbraw/zinc/57/42/58/386574258.db2.gz QTRSDQAGSJQIFT-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN CCOc1c(C#N)cc(C=O)cc1CC ZINC000575643121 386580387 /nfs/dbraw/zinc/58/03/87/386580387.db2.gz NDAVDAGIUDLNCA-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C#N)c(OC)c(C(C)=O)c1 ZINC000575644007 386583023 /nfs/dbraw/zinc/58/30/23/386583023.db2.gz FDUNWKYFLZSAQO-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CC1([NH2+][C@H]2CC[C@H]2C(=O)[O-])CCCCC1 ZINC000232812060 386530659 /nfs/dbraw/zinc/53/06/59/386530659.db2.gz PZDJFNDHSQRQNR-ZJUUUORDSA-N 0 0 211.305 2.162 10 0 BEAERN CC[C@H](Sc1ccc(N)cc1Cl)C(N)=O ZINC000061677708 386531278 /nfs/dbraw/zinc/53/12/78/386531278.db2.gz ZWIJRKICWDELSP-QMMMGPOBSA-N 0 0 244.747 2.278 10 0 BEAERN CCCCC(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000238920510 386538659 /nfs/dbraw/zinc/53/86/59/386538659.db2.gz SZYPSYKYHUOWPN-LBPRGKRZSA-N 0 0 248.326 2.252 10 0 BEAERN Cc1c(CO)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575638245 386556288 /nfs/dbraw/zinc/55/62/88/386556288.db2.gz OJDMZUPDHOECIT-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN COC(=O)Cc1c(N)cc(C)cc1C(F)(F)F ZINC000575639747 386560915 /nfs/dbraw/zinc/56/09/15/386560915.db2.gz JSSWFOPCDKFUQH-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN N#Cc1cc(OC(F)F)cc(F)c1C=O ZINC000575639438 386560958 /nfs/dbraw/zinc/56/09/58/386560958.db2.gz HYRFUYPTGWHYSX-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC(=O)Cc1ccc(C)c(C(F)(F)F)c1N ZINC000575639466 386561361 /nfs/dbraw/zinc/56/13/61/386561361.db2.gz HCDMHMQHOWDFGH-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN N#CCc1ccc(C#N)c(OC(F)F)c1C=O ZINC000575641124 386571984 /nfs/dbraw/zinc/57/19/84/386571984.db2.gz VDZWRGJPAQTSNZ-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN N#CCc1cc(C#N)c(C=O)cc1OC(F)F ZINC000575641519 386573588 /nfs/dbraw/zinc/57/35/88/386573588.db2.gz VWZHEMCMDRFSCT-UHFFFAOYSA-N 0 0 236.177 2.038 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000246219671 386642464 /nfs/dbraw/zinc/64/24/64/386642464.db2.gz YOBXPCGVPLHQGY-UBHSHLNASA-N 0 0 247.338 2.189 10 0 BEAERN CC(C)CNC(=O)[C@H]1CCCC1(F)F ZINC000307416510 386648899 /nfs/dbraw/zinc/64/88/99/386648899.db2.gz KLGWXJUUWUJUPK-MRVPVSSYSA-N 0 0 205.248 2.194 10 0 BEAERN CCOC(=O)c1cc(N)cc(OC(F)(F)F)c1 ZINC000575339110 386684838 /nfs/dbraw/zinc/68/48/38/386684838.db2.gz MHIJSTBADFYBHO-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN CCOC(=O)[C@@H](C)Cc1cccc(OC)c1 ZINC000575448337 386699730 /nfs/dbraw/zinc/69/97/30/386699730.db2.gz XLYUYFMQMYWRMA-JTQLQIEISA-N 0 0 222.284 2.437 10 0 BEAERN O[C@H](c1ccsn1)c1ncc(Cl)s1 ZINC000307525612 386703080 /nfs/dbraw/zinc/70/30/80/386703080.db2.gz JJAOLZAUDVVIQK-ZCFIWIBFSA-N 0 0 232.717 2.335 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425296755 386755532 /nfs/dbraw/zinc/75/55/32/386755532.db2.gz HDQCYVYVXNQTOM-JGPRNRPPSA-N 0 0 217.316 2.232 10 0 BEAERN CCOc1cc(C(=O)NC2CC2)ccc1C ZINC000113140573 386781271 /nfs/dbraw/zinc/78/12/71/386781271.db2.gz JEUXMXWVHQRGCG-UHFFFAOYSA-N 0 0 219.284 2.286 10 0 BEAERN O=C(CC1CCC1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334756864 386817676 /nfs/dbraw/zinc/81/76/76/386817676.db2.gz VNOAEPOUQBFBNB-STQMWFEESA-N 0 0 249.354 2.204 10 0 BEAERN COC(=O)Cc1ncc(C)cc1OC(F)(F)F ZINC000575374978 386799344 /nfs/dbraw/zinc/79/93/44/386799344.db2.gz DVVUMJOVUOLTAX-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1nc(C)ccc1OC(F)(F)F ZINC000575375169 386799432 /nfs/dbraw/zinc/79/94/32/386799432.db2.gz STOYBUPWXMQEEZ-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN Cc1csc(CN(C)c2nccc(C)n2)n1 ZINC000301296558 386834197 /nfs/dbraw/zinc/83/41/97/386834197.db2.gz XUOWVXHFRPXGCC-UHFFFAOYSA-N 0 0 234.328 2.186 10 0 BEAERN CCc1ccsc1C(=O)N1CCCO1 ZINC000125386644 386839760 /nfs/dbraw/zinc/83/97/60/386839760.db2.gz XDZXSBYTFMFMPX-UHFFFAOYSA-N 0 0 211.286 2.088 10 0 BEAERN CCCc1nnc(N[C@H]2CCO[C@H]2C)s1 ZINC000301901471 386886410 /nfs/dbraw/zinc/88/64/10/386886410.db2.gz NHVWBBFHVKIBNE-YUMQZZPRSA-N 0 0 227.333 2.080 10 0 BEAERN O=C(c1cnns1)N1CCC[C@H]1c1ccco1 ZINC000116047445 386911303 /nfs/dbraw/zinc/91/13/03/386911303.db2.gz JDNCCQNZZMSRFR-QMMMGPOBSA-N 0 0 249.295 2.108 10 0 BEAERN O=C([C@@H]1CCCO1)N1CCC[C@H]1c1ccco1 ZINC000116043601 386911714 /nfs/dbraw/zinc/91/17/14/386911714.db2.gz OLUWVXWIXGCDBU-JQWIXIFHSA-N 0 0 235.283 2.122 10 0 BEAERN O=C([C@H]1CCCOC1)N1CCC[C@H]1c1ccco1 ZINC000116047254 386911937 /nfs/dbraw/zinc/91/19/37/386911937.db2.gz HYYCRKMKBHUIDE-RYUDHWBXSA-N 0 0 249.310 2.370 10 0 BEAERN COC[C@@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047050 386912226 /nfs/dbraw/zinc/91/22/26/386912226.db2.gz AMSPVYLMOMRLRA-MNOVXSKESA-N 0 0 237.299 2.226 10 0 BEAERN Cc1nc(CN2CCC[C@@H]2c2ccco2)no1 ZINC000116290899 386929689 /nfs/dbraw/zinc/92/96/89/386929689.db2.gz BFFJEXZGACMLGZ-SNVBAGLBSA-N 0 0 233.271 2.308 10 0 BEAERN CCC[C@]1(COC)CCCN1c1ncccn1 ZINC000302833167 386938157 /nfs/dbraw/zinc/93/81/57/386938157.db2.gz SBOJFNSTYQGHPZ-CYBMUJFWSA-N 0 0 235.331 2.262 10 0 BEAERN CC(C)(C)c1noc([C@H]2CCNCC2(F)F)n1 ZINC000334817837 386945415 /nfs/dbraw/zinc/94/54/15/386945415.db2.gz KUUUMFDUIRURBO-SSDOTTSWSA-N 0 0 245.273 2.079 10 0 BEAERN CCCCC[C@@H](C)NC(=O)[C@H]1CC(F)(F)CN1 ZINC000368486172 386978166 /nfs/dbraw/zinc/97/81/66/386978166.db2.gz MCIGLPQTWLTCQC-NXEZZACHSA-N 0 0 248.317 2.069 10 0 BEAERN CCC[C@H](C)C(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398771924 386988687 /nfs/dbraw/zinc/98/86/87/386988687.db2.gz LAEDVRGKZKKXNP-CYDGBPFRSA-N 0 0 239.359 2.042 10 0 BEAERN CCOC(=O)c1nccc(OC)c1C(F)(F)F ZINC000575397481 387000027 /nfs/dbraw/zinc/00/00/27/387000027.db2.gz VEZLYLQWCLWTMX-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOc1cc(F)c(CO)cc1OC(F)F ZINC000575655173 387038429 /nfs/dbraw/zinc/03/84/29/387038429.db2.gz JMWDORQCTXWMJM-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1cc(C=O)c(O)c(OC(F)F)c1 ZINC000575656798 387042346 /nfs/dbraw/zinc/04/23/46/387042346.db2.gz NYGDREPHONBAMR-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(OC(F)F)c(C=O)cc1O ZINC000575656589 387042722 /nfs/dbraw/zinc/04/27/22/387042722.db2.gz LIXTXRNSFJESGG-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ncnc(F)c1Br ZINC000575464114 387045162 /nfs/dbraw/zinc/04/51/62/387045162.db2.gz VQTVRNSVAYCGIY-UHNVWZDZSA-N 0 0 246.083 2.199 10 0 BEAERN CCOc1ccc(C)c(CO)c1OC(F)F ZINC000575657408 387045759 /nfs/dbraw/zinc/04/57/59/387045759.db2.gz MKXNFGNSCNXOPE-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN C[C@@H]1CC[C@@H](n2cnc3c(c2=O)CCCC3)C1 ZINC000334967814 387051481 /nfs/dbraw/zinc/05/14/81/387051481.db2.gz RRRSYTYJPMTLEW-GHMZBOCLSA-N 0 0 232.327 2.483 10 0 BEAERN COc1cc(C=O)c(F)cc1OC(F)F ZINC000575659611 387052237 /nfs/dbraw/zinc/05/22/37/387052237.db2.gz HGTOGXDQUGHQMK-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN C[C@@]1(c2nc([C@H]3CC34CC4)no2)CCCOC1 ZINC000334971734 387056396 /nfs/dbraw/zinc/05/63/96/387056396.db2.gz XXMGAYALNFREBD-BXKDBHETSA-N 0 0 234.299 2.405 10 0 BEAERN C[C@@H]1C[C@@]1(C)c1onc(N)c1Br ZINC000575583587 387058203 /nfs/dbraw/zinc/05/82/03/387058203.db2.gz OHSYOMVIURQSKR-SPGJFGJESA-N 0 0 231.093 2.147 10 0 BEAERN C[C@H](CF)Nc1nc(Cl)ccc1N ZINC000575584547 387063786 /nfs/dbraw/zinc/06/37/86/387063786.db2.gz WMOYUTIWLQABAD-RXMQYKEDSA-N 0 0 203.648 2.087 10 0 BEAERN c1nscc1NC[C@@H]1CCSC1 ZINC000575458455 387026051 /nfs/dbraw/zinc/02/60/51/387026051.db2.gz XQBBKGMQBXFIDX-ZETCQYMHSA-N 0 0 200.332 2.308 10 0 BEAERN Cc1ncc(C(=O)c2cncs2)s1 ZINC000575455608 387026950 /nfs/dbraw/zinc/02/69/50/387026950.db2.gz NTXSETUKXZENHD-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN O=C1N[C@H](c2ccsc2Br)CO1 ZINC000575577134 387028672 /nfs/dbraw/zinc/02/86/72/387028672.db2.gz DZBXNUCCMJCFHL-YFKPBYRVSA-N 0 0 248.101 2.292 10 0 BEAERN C[C@H](CC(=O)NCc1ncc[nH]1)C(C)(C)C ZINC000070651570 387071626 /nfs/dbraw/zinc/07/16/26/387071626.db2.gz JNSSFFHTKNKAEW-SECBINFHSA-N 0 0 223.320 2.098 10 0 BEAERN CNc1nc(C)ccc1Br ZINC000575468210 387080804 /nfs/dbraw/zinc/08/08/04/387080804.db2.gz WGHYRNHVBCBRCD-UHFFFAOYSA-N 0 0 201.067 2.194 10 0 BEAERN CC1=CC=C(Br)C2=NC(=O)CN21 ZINC000575468391 387083460 /nfs/dbraw/zinc/08/34/60/387083460.db2.gz OVJKHEYPKSRJJM-UHFFFAOYSA-N 0 0 227.061 2.111 10 0 BEAERN CCCC(CCC)C(=O)NC[C@H]1CCC[C@H]1O ZINC000228453890 387092970 /nfs/dbraw/zinc/09/29/70/387092970.db2.gz FSJFLUUTDRGHKB-CHWSQXEVSA-N 0 0 241.375 2.480 10 0 BEAERN CC(C)Cn1ccnc(N[C@H]2CCC[C@@H]2C)c1=O ZINC000071208141 387098076 /nfs/dbraw/zinc/09/80/76/387098076.db2.gz PPMNDLNLIDBQMP-RYUDHWBXSA-N 0 0 249.358 2.500 10 0 BEAERN C[C@H](CCC1CC1)[NH2+][C@H]1CCCn2ncnc21 ZINC000186377420 387100576 /nfs/dbraw/zinc/10/05/76/387100576.db2.gz DYWUREGEHBOSSL-PWSUYJOCSA-N 0 0 234.347 2.281 10 0 BEAERN CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000068016120 387101197 /nfs/dbraw/zinc/10/11/97/387101197.db2.gz ROWBJXFFVVFNDB-LLVKDONJSA-N 0 0 238.331 2.107 10 0 BEAERN C[C@]1(c2ccc(Br)o2)CC(=O)CO1 ZINC000575472536 387106401 /nfs/dbraw/zinc/10/64/01/387106401.db2.gz YCXPKMWMVCJCCU-SECBINFHSA-N 0 0 245.072 2.247 10 0 BEAERN COC(=O)c1cc(C)c(Br)c(N)c1 ZINC000001610646 387109877 /nfs/dbraw/zinc/10/98/77/387109877.db2.gz OJEFZLWIXRIJNW-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160621807 387112983 /nfs/dbraw/zinc/11/29/83/387112983.db2.gz UWWWANHDWVNVGB-BXUZGUMPSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228778090 387114041 /nfs/dbraw/zinc/11/40/41/387114041.db2.gz SXADJEFMOHYXHB-IMJSIDKUSA-N 0 0 223.223 2.377 10 0 BEAERN C[C@]1(Nc2ncc(Cl)cn2)CCCOC1 ZINC000336766859 387126725 /nfs/dbraw/zinc/12/67/25/387126725.db2.gz SMEQLFBPWNAVAW-JTQLQIEISA-N 0 0 227.695 2.111 10 0 BEAERN C[C@@H](CF)Nc1ncc(Br)cc1N ZINC000575584898 387143223 /nfs/dbraw/zinc/14/32/23/387143223.db2.gz YNVAFRQCDPBADJ-YFKPBYRVSA-N 0 0 248.099 2.196 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)CCC1CC1 ZINC000119801417 387146487 /nfs/dbraw/zinc/14/64/87/387146487.db2.gz ZGFQWUDZUIXKLG-SNVBAGLBSA-N 0 0 212.337 2.472 10 0 BEAERN CCn1ccnc1C[S@@](=O)c1cccs1 ZINC000119791305 387147217 /nfs/dbraw/zinc/14/72/17/387147217.db2.gz RGJLJKAHBZYHDT-HNNXBMFYSA-N 0 0 240.353 2.272 10 0 BEAERN O=C(c1cncc(O)c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000371162488 387157412 /nfs/dbraw/zinc/15/74/12/387157412.db2.gz DJDHWAMYHHKFFK-MFKMUULPSA-N 0 0 246.310 2.192 10 0 BEAERN CC(=O)S[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000113014538 387158170 /nfs/dbraw/zinc/15/81/70/387158170.db2.gz KYLJPUGKGHFDOL-VIFPVBQESA-N 0 0 245.344 2.276 10 0 BEAERN CC(C)(C)OC(=O)Nc1ccc(O)c(N)c1 ZINC000306525354 387158991 /nfs/dbraw/zinc/15/89/91/387158991.db2.gz PUVSBJCUNXOXNN-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN CC(C)Nc1cnn(C)c1Br ZINC000575478328 387159713 /nfs/dbraw/zinc/15/97/13/387159713.db2.gz BIXWKUVYUHPCRA-UHFFFAOYSA-N 0 0 218.098 2.003 10 0 BEAERN C[C@@]1(O)CCC[C@@H]1SC1CCOCC1 ZINC000306202669 387160536 /nfs/dbraw/zinc/16/05/36/387160536.db2.gz XCYOFXAHEDBFEW-WDEREUQCSA-N 0 0 216.346 2.202 10 0 BEAERN C[C@@H]1CCC[C@@]1(O)Cc1nc(C(C)(C)C)no1 ZINC000536952526 387166113 /nfs/dbraw/zinc/16/61/13/387166113.db2.gz CUKUPIZDKDPOEW-NOZJJQNGSA-N 0 0 238.331 2.461 10 0 BEAERN CC(C)[C@H](C)c1nc2n(c1CO)CCCC2 ZINC000536955251 387168250 /nfs/dbraw/zinc/16/82/50/387168250.db2.gz RGYQDGCXQLZXRZ-JTQLQIEISA-N 0 0 222.332 2.471 10 0 BEAERN FC(F)(F)c1c[nH]nc1-c1cccnc1 ZINC000536957092 387170671 /nfs/dbraw/zinc/17/06/71/387170671.db2.gz BPNBRQKROVBTHS-UHFFFAOYSA-N 0 0 213.162 2.491 10 0 BEAERN CC[C@H](C)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000536957839 387171245 /nfs/dbraw/zinc/17/12/45/387171245.db2.gz HMWLFBIYEFOXTP-CABZTGNLSA-N 0 0 237.347 2.198 10 0 BEAERN COc1ccccc1N1CCC[C@@H](C(C)=O)C1=O ZINC000536957683 387171765 /nfs/dbraw/zinc/17/17/65/387171765.db2.gz CXMJMIGEHOWRJU-NSHDSACASA-N 0 0 247.294 2.027 10 0 BEAERN CC[C@@H](C)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000536957844 387171957 /nfs/dbraw/zinc/17/19/57/387171957.db2.gz HMWLFBIYEFOXTP-SKDRFNHKSA-N 0 0 237.347 2.198 10 0 BEAERN C[C@H](Nc1cnn(C)c1Br)C1CC1 ZINC000575480735 387175222 /nfs/dbraw/zinc/17/52/22/387175222.db2.gz ZICKCLDXXFHJRQ-LURJTMIESA-N 0 0 244.136 2.393 10 0 BEAERN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C ZINC000300240175 387182899 /nfs/dbraw/zinc/18/28/99/387182899.db2.gz JPIQORYWHOWONK-MROQNXINSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1cc(C(=O)c2ccns2)sn1 ZINC000575588889 387186190 /nfs/dbraw/zinc/18/61/90/387186190.db2.gz KLOXNPKKKQSFRF-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN CCO[C@H](C)C(=O)N1CCc2cc(OC)ccc21 ZINC000058717489 387194081 /nfs/dbraw/zinc/19/40/81/387194081.db2.gz MYZZXGRIVGBPLN-SNVBAGLBSA-N 0 0 249.310 2.009 10 0 BEAERN CC1(C)CCC[C@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000229009127 387137032 /nfs/dbraw/zinc/13/70/32/387137032.db2.gz VVKWCJQLBBXPGL-RYUDHWBXSA-N 0 0 239.359 2.044 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000229009137 387137409 /nfs/dbraw/zinc/13/74/09/387137409.db2.gz VVKWCJQLBBXPGL-VXGBXAGGSA-N 0 0 239.359 2.044 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)Nc2cnn(C)c2)o1 ZINC000076063332 387137813 /nfs/dbraw/zinc/13/78/13/387137813.db2.gz OZSAVZKHPUFVFO-SECBINFHSA-N 0 0 248.286 2.204 10 0 BEAERN Cc1cnn(CCNc2nc(C)c(C)s2)c1 ZINC000229052284 387138526 /nfs/dbraw/zinc/13/85/26/387138526.db2.gz PZCNFUOKSZXLPW-UHFFFAOYSA-N 0 0 236.344 2.377 10 0 BEAERN CCCC1(CNC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000120360159 387234008 /nfs/dbraw/zinc/23/40/08/387234008.db2.gz KCDZCDCPTMXWQR-ZJUUUORDSA-N 0 0 210.321 2.274 10 0 BEAERN CCCCN(CCO)C(=O)[C@H]1CCC[C@H]1C ZINC000230169859 387238427 /nfs/dbraw/zinc/23/84/27/387238427.db2.gz MBZNFRKGJOWBKK-NEPJUHHUSA-N 0 0 227.348 2.044 10 0 BEAERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230170036 387239304 /nfs/dbraw/zinc/23/93/04/387239304.db2.gz UYLNOOVHVODAPO-OIBJUYFYSA-N 0 0 221.304 2.401 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCC(C)(C)CCCO ZINC000230176407 387239554 /nfs/dbraw/zinc/23/95/54/387239554.db2.gz RPTSJYNHCZRZBC-VXGBXAGGSA-N 0 0 241.375 2.338 10 0 BEAERN C[C@H](NC(=O)[C@H]1CCC[C@@H]1C)c1cn[nH]c1 ZINC000230175706 387239903 /nfs/dbraw/zinc/23/99/03/387239903.db2.gz HMOKUELOHFUXED-QXEWZRGKSA-N 0 0 221.304 2.023 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(O)c1 ZINC000230173040 387239912 /nfs/dbraw/zinc/23/99/12/387239912.db2.gz VQNYJIPJSZNPIC-GWCFXTLKSA-N 0 0 233.311 2.445 10 0 BEAERN CCC[C@](C)(O)CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230173793 387240220 /nfs/dbraw/zinc/24/02/20/387240220.db2.gz BKPHFOGCVJVLAQ-LOWVWBTDSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CO)c1ccccc1 ZINC000230171521 387240331 /nfs/dbraw/zinc/24/03/31/387240331.db2.gz ABDUPLXMDAGHFC-KWCYVHTRSA-N 0 0 247.338 2.272 10 0 BEAERN C[C@H](O)C1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000230173360 387240931 /nfs/dbraw/zinc/24/09/31/387240931.db2.gz SJVHXBUUZSBXMH-GVXVVHGQSA-N 0 0 239.359 2.042 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@H]1C ZINC000188047391 387244727 /nfs/dbraw/zinc/24/47/27/387244727.db2.gz FHXWWJYQTDPFED-YVECIDJPSA-N 0 0 239.359 2.449 10 0 BEAERN CC(C)CN(C(=O)[C@@H]1CCCO[C@@H]1C)C1CC1 ZINC000188064163 387247208 /nfs/dbraw/zinc/24/72/08/387247208.db2.gz PKNPOSLTNPAXKP-DGCLKSJQSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000188146447 387253898 /nfs/dbraw/zinc/25/38/98/387253898.db2.gz WNYVBKZWWGGYTD-FVCCEPFGSA-N 0 0 239.359 2.496 10 0 BEAERN COc1cc(OC(F)F)cc(C(C)=O)c1O ZINC000575662564 387195751 /nfs/dbraw/zinc/19/57/51/387195751.db2.gz AWZQSFYFFQUGFW-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN C[C@@H]1CCN1c1ncc(Br)cc1N ZINC000575590648 387200010 /nfs/dbraw/zinc/20/00/10/387200010.db2.gz KDLHQDLGQWJBDZ-ZCFIWIBFSA-N 0 0 242.120 2.025 10 0 BEAERN CSCCCCCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000188158949 387255032 /nfs/dbraw/zinc/25/50/32/387255032.db2.gz YYMZOHKBYPXNOG-GHMZBOCLSA-N 0 0 245.388 2.203 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](O)C(C)(C)C ZINC000424734791 387261724 /nfs/dbraw/zinc/26/17/24/387261724.db2.gz UXXOQVXSUITHBK-GRYCIOLGSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000424738506 387263185 /nfs/dbraw/zinc/26/31/85/387263185.db2.gz MTQHBZZLSLWWTE-AGIUHOORSA-N 0 0 239.359 2.044 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)N(C)C)cn1 ZINC000231662060 387277706 /nfs/dbraw/zinc/27/77/06/387277706.db2.gz REORMGZUPLIQCC-CMPLNLGQSA-N 0 0 247.342 2.384 10 0 BEAERN O=C1COC[C@@H]1c1cccc(Br)c1 ZINC000575494075 387286216 /nfs/dbraw/zinc/28/62/16/387286216.db2.gz UPDICNNBXTYKEZ-SECBINFHSA-N 0 0 241.084 2.132 10 0 BEAERN C[C@H]1SCC[C@@H]1Nc1cnsc1 ZINC000575494120 387286952 /nfs/dbraw/zinc/28/69/52/387286952.db2.gz RGDRXTVVIIEJTK-SVRRBLITSA-N 0 0 200.332 2.449 10 0 BEAERN NOCc1cc(Cl)ccc1Br ZINC000258274899 387301784 /nfs/dbraw/zinc/30/17/84/387301784.db2.gz PBSQVFVNDIGEQF-UHFFFAOYSA-N 0 0 236.496 2.493 10 0 BEAERN CCCn1nccc1NC(=O)CCCCOC ZINC000121100971 387301996 /nfs/dbraw/zinc/30/19/96/387301996.db2.gz ZQZQZZPLJVUWEG-UHFFFAOYSA-N 0 0 239.319 2.048 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(F)c1F ZINC000260027622 387305465 /nfs/dbraw/zinc/30/54/65/387305465.db2.gz NQCUTDOYNSQRGJ-UHFFFAOYSA-N 0 0 220.602 2.334 10 0 BEAERN Fc1ncc(Br)c(OC2CCC2)n1 ZINC000575599629 387354584 /nfs/dbraw/zinc/35/45/84/387354584.db2.gz XATGBHDSFWGCQN-UHFFFAOYSA-N 0 0 247.067 2.310 10 0 BEAERN O[C@H](c1cccnc1Br)C1CC1 ZINC000575599738 387355307 /nfs/dbraw/zinc/35/53/07/387355307.db2.gz NKULWMDRQMMHGZ-QMMMGPOBSA-N 0 0 228.089 2.288 10 0 BEAERN CO[C@@H](C)c1nc(C)c(Br)c(F)n1 ZINC000575600107 387357645 /nfs/dbraw/zinc/35/76/45/387357645.db2.gz JTNFLGIYEJJUER-YFKPBYRVSA-N 0 0 249.083 2.394 10 0 BEAERN CCOC(=O)/C=C/c1cnn(CC(F)(F)F)c1 ZINC000575602216 387368839 /nfs/dbraw/zinc/36/88/39/387368839.db2.gz LJLVFTGBWFUYNL-ONEGZZNKSA-N 0 0 248.204 2.022 10 0 BEAERN N=[S@]1(=O)CCC[C@H](C(F)(F)F)CC1 ZINC000575601762 387369138 /nfs/dbraw/zinc/36/91/38/387369138.db2.gz BYKKZKOKQYQLLH-IYQDAUBNSA-N 0 0 215.240 2.396 10 0 BEAERN OC1(c2cncc(Br)c2)CCC1 ZINC000575602311 387371738 /nfs/dbraw/zinc/37/17/38/387371738.db2.gz MDZSZOXGWWRKAO-UHFFFAOYSA-N 0 0 228.089 2.216 10 0 BEAERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cscn1 ZINC000648599618 387372344 /nfs/dbraw/zinc/37/23/44/387372344.db2.gz NSLDFHQNJFRVNJ-DJLDLDEBSA-N 0 0 222.313 2.062 10 0 BEAERN COC(=O)c1cc(-c2cccc(N)c2)[nH]c1C ZINC000575602774 387373160 /nfs/dbraw/zinc/37/31/60/387373160.db2.gz VDXIVRZCMKDMLY-UHFFFAOYSA-N 0 0 230.267 2.359 10 0 BEAERN O=Cc1cc(F)c(Br)c(C=O)c1 ZINC000575688972 387376131 /nfs/dbraw/zinc/37/61/31/387376131.db2.gz BQJCJDVLWCIQEB-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN N[C@@H](c1ccc[nH]1)c1occc1Br ZINC000575507224 387376154 /nfs/dbraw/zinc/37/61/54/387376154.db2.gz KMNCWIIXLMBPMJ-QMMMGPOBSA-N 0 0 241.088 2.418 10 0 BEAERN O=Cc1cc(Br)cc(F)c1C=O ZINC000575689340 387376848 /nfs/dbraw/zinc/37/68/48/387376848.db2.gz DCGASXKVYMJJJV-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN Cc1c(F)cc(Br)cc1CO ZINC000575689548 387377077 /nfs/dbraw/zinc/37/70/77/387377077.db2.gz RJBDYHGVMYTAEK-UHFFFAOYSA-N 0 0 219.053 2.389 10 0 BEAERN Cc1cscc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000267265164 387379160 /nfs/dbraw/zinc/37/91/60/387379160.db2.gz PMILCUBPWYQZRO-UWVGGRQHSA-N 0 0 239.340 2.306 10 0 BEAERN COc1ccc(O)c(Br)c1C(C)=O ZINC000575690382 387381117 /nfs/dbraw/zinc/38/11/17/387381117.db2.gz LXOQLSVSRINILL-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN COc1c(O)cc(Br)cc1C(C)=O ZINC000575690277 387381809 /nfs/dbraw/zinc/38/18/09/387381809.db2.gz GTCHPCKWKSPLKJ-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN CC(=O)c1cc(C(F)F)cc(C=O)c1O ZINC000575670227 387330558 /nfs/dbraw/zinc/33/05/58/387330558.db2.gz XTJYBQJZYHOXSO-UHFFFAOYSA-N 0 0 214.167 2.345 10 0 BEAERN COc1cc(OC)c(O)c(C(F)(F)F)c1 ZINC000575671300 387333258 /nfs/dbraw/zinc/33/32/58/387333258.db2.gz IAOIXIBZCYHAFG-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1ccc(O)c(C(F)(F)F)c1OC ZINC000575671019 387336016 /nfs/dbraw/zinc/33/60/16/387336016.db2.gz FVRWDGYVRGLKDY-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1cc(OC)c(O)c(OC(F)(F)F)c1 ZINC000575670834 387336438 /nfs/dbraw/zinc/33/64/38/387336438.db2.gz BPUKFIRSFSHCJL-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN COc1cc(O)c(C(F)F)c(OC)c1 ZINC000575671072 387337368 /nfs/dbraw/zinc/33/73/68/387337368.db2.gz GYQDDVHMCWEAGN-UHFFFAOYSA-N 0 0 204.172 2.347 10 0 BEAERN O=C1CC(c2ccc(Br)cn2)C1 ZINC000575499232 387338377 /nfs/dbraw/zinc/33/83/77/387338377.db2.gz HMRVJYTWOQYECL-UHFFFAOYSA-N 0 0 226.073 2.291 10 0 BEAERN COc1cc(O)c(OC(F)(F)F)c(OC)c1 ZINC000575671884 387340676 /nfs/dbraw/zinc/34/06/76/387340676.db2.gz QXSSGGYFGMDTMS-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN Brc1noc([C@H]2C[C@@H]2C2CC2)n1 ZINC000575596296 387340759 /nfs/dbraw/zinc/34/07/59/387340759.db2.gz LUIDLAHLQUDPBU-RITPCOANSA-N 0 0 229.077 2.346 10 0 BEAERN COc1cc(OC(F)(F)F)cc(O)c1OC ZINC000575672097 387342708 /nfs/dbraw/zinc/34/27/08/387342708.db2.gz VJRCHUKJNTYGNW-UHFFFAOYSA-N 0 0 238.161 2.308 10 0 BEAERN C[C@@H]1CN(c2nnc(Br)s2)[C@@H]1C ZINC000575599628 387352982 /nfs/dbraw/zinc/35/29/82/387352982.db2.gz QZCURGANQNJGTA-RFZPGFLSSA-N 0 0 248.149 2.145 10 0 BEAERN C[C@@H]1CN(c2nnc(Br)s2)[C@H]1C ZINC000575599635 387353022 /nfs/dbraw/zinc/35/30/22/387353022.db2.gz QZCURGANQNJGTA-UHNVWZDZSA-N 0 0 248.149 2.145 10 0 BEAERN CC(=O)c1c(O)ccc(N)c1C(F)(F)F ZINC000575718370 387425221 /nfs/dbraw/zinc/42/52/21/387425221.db2.gz FPOLWBUTOPPEQU-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN COc1c(N)cc(O)cc1C(F)(F)F ZINC000575727399 387461418 /nfs/dbraw/zinc/46/14/18/387461418.db2.gz DFTMSKXEOBBYDS-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN O=C(c1cccc(=O)[nH]1)N1CCC12CCCCC2 ZINC000374507072 387461513 /nfs/dbraw/zinc/46/15/13/387461513.db2.gz QHRNMBOZCHUBBB-UHFFFAOYSA-N 0 0 246.310 2.336 10 0 BEAERN CC(=O)c1c(N)c(OC(F)F)ccc1F ZINC000575716069 387432645 /nfs/dbraw/zinc/43/26/45/387432645.db2.gz IEEYEFYDZGKRJR-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN COc1ccc(C(F)(F)F)c(N)c1C(C)=O ZINC000575717500 387436092 /nfs/dbraw/zinc/43/60/92/387436092.db2.gz VMEGEHZSYSYANZ-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CCOC(=O)c1ccc(N)c(O)c1C(F)(F)F ZINC000575724344 387437564 /nfs/dbraw/zinc/43/75/64/387437564.db2.gz BXPCSDSYEDEYCE-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CCOC(=O)c1cc(O)c(C(F)(F)F)cc1N ZINC000575724351 387438392 /nfs/dbraw/zinc/43/83/92/387438392.db2.gz CFVQRXUVALOBHA-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN Nc1ccc(O)c(Cl)c1Br ZINC000575719936 387440354 /nfs/dbraw/zinc/44/03/54/387440354.db2.gz PIUCLFFCZLUIPK-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN CC(=O)c1c(N)c(O)ccc1C(F)(F)F ZINC000575719622 387440562 /nfs/dbraw/zinc/44/05/62/387440562.db2.gz WRZVMDNRXWJGQX-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN Cc1ccn2c(c1)nnc2NC(=O)[C@@H](C)C1CC1 ZINC000121918591 387441363 /nfs/dbraw/zinc/44/13/63/387441363.db2.gz HZKVTHASODQFBT-VIFPVBQESA-N 0 0 244.298 2.022 10 0 BEAERN Nc1cc(OC(F)F)cc(Cl)c1O ZINC000575720738 387442401 /nfs/dbraw/zinc/44/24/01/387442401.db2.gz RKWSRMLRBSJQAT-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN Nc1noc([C@@H]2C[C@@H]2C2CC2)c1Br ZINC000575521963 387443032 /nfs/dbraw/zinc/44/30/32/387443032.db2.gz UUVCISASDKYZSD-PHDIDXHHSA-N 0 0 243.104 2.363 10 0 BEAERN Cc1c(O)ccc(N)c1Br ZINC000575720648 387443083 /nfs/dbraw/zinc/44/30/83/387443083.db2.gz NYBJUSOBBOADQG-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN COc1c(N)ccc(C)c1OC(F)F ZINC000575722416 387445047 /nfs/dbraw/zinc/44/50/47/387445047.db2.gz BLCXCUKOSXDDFR-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1ccc(OC(F)F)c(N)c1C ZINC000575723500 387445894 /nfs/dbraw/zinc/44/58/94/387445894.db2.gz PHVYTYAJAYCHQA-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN COc1c(N)c(F)ccc1Br ZINC000575722839 387445915 /nfs/dbraw/zinc/44/59/15/387445915.db2.gz NKUNMSFJKOMAHU-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN Nc1cc(N)c(C(F)F)c(OC(F)F)c1 ZINC000575723097 387446352 /nfs/dbraw/zinc/44/63/52/387446352.db2.gz OSPCGWBNXACSRV-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN COc1cc(C)cc(OC(F)F)c1N ZINC000575723621 387447373 /nfs/dbraw/zinc/44/73/73/387447373.db2.gz RPWLRZHLGNDVRV-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)c1c(N)cc(OCC)cc1CC ZINC000575724203 387447457 /nfs/dbraw/zinc/44/74/57/387447457.db2.gz ZNIQYHPWAWLRLS-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)Cc1cc(CC)cc(F)c1N ZINC000575724156 387447645 /nfs/dbraw/zinc/44/76/45/387447645.db2.gz WUDSRWIYEAHSSS-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN COc1cc(C)c(OC(F)F)c(N)c1 ZINC000575723620 387447763 /nfs/dbraw/zinc/44/77/63/387447763.db2.gz RNYZNDXJDJSBBD-UHFFFAOYSA-N 0 0 203.188 2.187 10 0 BEAERN CCOC(=O)Cc1c(C)cc(OCC)cc1N ZINC000575724174 387447784 /nfs/dbraw/zinc/44/77/84/387447784.db2.gz XQQOVCCSXKWUCK-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOC(=O)c1cc(CC)c(OC)cc1N ZINC000575724294 387449000 /nfs/dbraw/zinc/44/90/00/387449000.db2.gz DUULOENSAPFITN-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCOC(=O)c1c(N)ccc(C(F)(F)F)c1O ZINC000575724959 387459600 /nfs/dbraw/zinc/45/96/00/387459600.db2.gz OPQCLXGCLXNNFD-UHFFFAOYSA-N 0 0 249.188 2.170 10 0 BEAERN CC1CN(c2c(N)cccc2Br)C1 ZINC000575514188 387387437 /nfs/dbraw/zinc/38/74/37/387387437.db2.gz FOKVUWAUWVUJDU-UHFFFAOYSA-N 0 0 241.132 2.487 10 0 BEAERN CCNc1nsnc1-c1cncs1 ZINC000575514273 387388188 /nfs/dbraw/zinc/38/81/88/387388188.db2.gz GZFBSLZRWDMYIM-UHFFFAOYSA-N 0 0 212.303 2.093 10 0 BEAERN CSCCCC(=O)N1CCS[C@H](C)[C@H]1C ZINC000121629682 387389029 /nfs/dbraw/zinc/38/90/29/387389029.db2.gz NKDASAZEPPYSJC-NXEZZACHSA-N 0 0 247.429 2.482 10 0 BEAERN CC[C@@H](C)C(=O)N(C(C)C)C1CCOCC1 ZINC000121656421 387390513 /nfs/dbraw/zinc/39/05/13/387390513.db2.gz AZSCCPRBCPNLDC-LLVKDONJSA-N 0 0 227.348 2.449 10 0 BEAERN CCOc1cc(CC)cc(C(N)=O)c1C ZINC000575697467 387391199 /nfs/dbraw/zinc/39/11/99/387391199.db2.gz WMCAALOJNRUJFN-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN Cn1ncc(Cl)c1[C@](C)(O)C1CCC1 ZINC000306569204 387397518 /nfs/dbraw/zinc/39/75/18/387397518.db2.gz VZHITVOSOLRUEU-SNVBAGLBSA-N 0 0 214.696 2.081 10 0 BEAERN CSc1cc(C(C)=O)c(O)cc1F ZINC000575704371 387401681 /nfs/dbraw/zinc/40/16/81/387401681.db2.gz VMIUKGSYKHIUSE-UHFFFAOYSA-N 0 0 200.234 2.456 10 0 BEAERN O=Cc1c(O)ccc(C(F)(F)F)c1F ZINC000575705245 387408210 /nfs/dbraw/zinc/40/82/10/387408210.db2.gz VGDKZSPRCSIUIR-UHFFFAOYSA-N 0 0 208.110 2.363 10 0 BEAERN Cc1c(F)cc(OC(F)(F)F)cc1C(N)=O ZINC000575710075 387413444 /nfs/dbraw/zinc/41/34/44/387413444.db2.gz OWIZXNZWIFZJHS-UHFFFAOYSA-N 0 0 237.152 2.132 10 0 BEAERN O=C(c1ccccc1O)N1C[C@@H]2CCC[C@@H]21 ZINC000336593467 387419193 /nfs/dbraw/zinc/41/91/93/387419193.db2.gz RXHDDYHXGJGVAL-ONGXEEELSA-N 0 0 217.268 2.017 10 0 BEAERN O=C(O[C@@H]1CC[C@H]2C(=O)C[C@H]21)c1ccccc1 ZINC000584599647 387501335 /nfs/dbraw/zinc/50/13/35/387501335.db2.gz GNDYVUUIJUDHMI-NQBHXWOUSA-N 0 0 230.263 2.211 10 0 BEAERN O=C1NC(=O)C(=C2CCC(F)CC2)S1 ZINC000584623588 387502748 /nfs/dbraw/zinc/50/27/48/387502748.db2.gz NBBBVXDEATYDQV-UHFFFAOYSA-N 0 0 215.249 2.136 10 0 BEAERN Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000584640864 387507120 /nfs/dbraw/zinc/50/71/20/387507120.db2.gz DARFUSVVTGHDDX-UHFFFAOYSA-N 0 0 210.240 2.100 10 0 BEAERN Cn1ncc(-c2ccc(Cl)cc2)c1N ZINC000042413638 387508641 /nfs/dbraw/zinc/50/86/41/387508641.db2.gz HUAPBEHYLWULEH-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN C[C@@H](CC1CCCCC1)C(=O)N1CC(CO)C1 ZINC000122399894 387516299 /nfs/dbraw/zinc/51/62/99/387516299.db2.gz WKSWTAIYEVDKKZ-NSHDSACASA-N 0 0 239.359 2.044 10 0 BEAERN CC(C)CCS[C@@H]1CCCCNC1=O ZINC000105632497 387523406 /nfs/dbraw/zinc/52/34/06/387523406.db2.gz YEXQNQSVLQKBCX-SNVBAGLBSA-N 0 0 215.362 2.434 10 0 BEAERN O=C(c1cccc(=O)[nH]1)N1C[C@H]2CCCCC[C@H]21 ZINC000374555613 387467240 /nfs/dbraw/zinc/46/72/40/387467240.db2.gz FMEGBFLNJUXHBF-ZYHUDNBSSA-N 0 0 246.310 2.192 10 0 BEAERN COc1cc(C)cc(OC(F)(F)F)c1N ZINC000575729550 387467600 /nfs/dbraw/zinc/46/76/00/387467600.db2.gz MVIURPGFPVKCFP-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1ccc(N)c(C)c1OC(F)(F)F ZINC000575729494 387468367 /nfs/dbraw/zinc/46/83/67/387468367.db2.gz LTJAMJXFPCGCCN-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN Cc1ccc(O)c(OC(F)(F)F)c1N ZINC000575729005 387469216 /nfs/dbraw/zinc/46/92/16/387469216.db2.gz UASUFVAQCMPQDA-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1cc(N)c(OC(F)(F)F)c(O)c1 ZINC000575729100 387469654 /nfs/dbraw/zinc/46/96/54/387469654.db2.gz VTOFSZUTLOKRLI-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN Cc1cc(O)cc(N)c1OC(F)(F)F ZINC000575729140 387470233 /nfs/dbraw/zinc/47/02/33/387470233.db2.gz VYLQQVAZXMICEW-UHFFFAOYSA-N 0 0 207.151 2.181 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(N)c1Cl ZINC000575730431 387471292 /nfs/dbraw/zinc/47/12/92/387471292.db2.gz SAZNHGIRKLWRBG-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN COc1cc(OC(F)(F)F)cc(C)c1CO ZINC000575730533 387473000 /nfs/dbraw/zinc/47/30/00/387473000.db2.gz WXGLLBQPXZONIM-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN CC1(C)CCNC(=O)C(Cl)(Cl)C1 ZINC000039118490 387491675 /nfs/dbraw/zinc/49/16/75/387491675.db2.gz TTZKHMJRCOJTDF-UHFFFAOYSA-N 0 0 210.104 2.097 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000123578756 387585831 /nfs/dbraw/zinc/58/58/31/387585831.db2.gz GRBGTZAXLHILRZ-NSHDSACASA-N 0 0 249.285 2.370 10 0 BEAERN CSc1c(N)nsc1N1CC[C@H]1C ZINC000575540571 387588964 /nfs/dbraw/zinc/58/89/64/387588964.db2.gz BCEVASXQWQVKOY-RXMQYKEDSA-N 0 0 215.347 2.046 10 0 BEAERN Cc1cc(N2CCC2)ncc1Br ZINC000306348197 387593706 /nfs/dbraw/zinc/59/37/06/387593706.db2.gz GVFACONJQMPNNK-UHFFFAOYSA-N 0 0 227.105 2.363 10 0 BEAERN CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000124208166 387608083 /nfs/dbraw/zinc/60/80/83/387608083.db2.gz FPTAXXZIEIPDOO-FRRDWIJNSA-N 0 0 239.359 2.090 10 0 BEAERN CC[C@@H](C)OCC(=O)N1CCCC1(C)C ZINC000124247222 387609806 /nfs/dbraw/zinc/60/98/06/387609806.db2.gz ZMAFRCZSMQYEBQ-SNVBAGLBSA-N 0 0 213.321 2.203 10 0 BEAERN Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000122563968 387547952 /nfs/dbraw/zinc/54/79/52/387547952.db2.gz RIODTORLQDQBLF-YPMHNXCESA-N 0 0 233.311 2.179 10 0 BEAERN FC(F)C1(Nc2nsnc2Cl)CC1 ZINC000575531669 387548373 /nfs/dbraw/zinc/54/83/73/387548373.db2.gz RAYDYTKYGIPYFM-UHFFFAOYSA-N 0 0 225.651 2.401 10 0 BEAERN C[C@H](CC1CCCC1)C(=O)NCC1(C)COC1 ZINC000114277161 387627071 /nfs/dbraw/zinc/62/70/71/387627071.db2.gz YWHGSNKCUWVDLO-LLVKDONJSA-N 0 0 239.359 2.356 10 0 BEAERN CC(C)Cn1cnnc1-c1cscn1 ZINC000228239505 387551581 /nfs/dbraw/zinc/55/15/81/387551581.db2.gz OEGYECPCGBOWAT-UHFFFAOYSA-N 0 0 208.290 2.058 10 0 BEAERN c1ccc2nc(NC[C@@H]3COCCO3)ccc2c1 ZINC000038062148 387572550 /nfs/dbraw/zinc/57/25/50/387572550.db2.gz FIRUPPCEJQOTQM-GFCCVEGCSA-N 0 0 244.294 2.062 10 0 BEAERN Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000120685413 387573113 /nfs/dbraw/zinc/57/31/13/387573113.db2.gz JYFPNDYUGPUDDV-YPMHNXCESA-N 0 0 231.343 2.427 10 0 BEAERN C[C@H](NC(=O)Nc1nncs1)c1ccccc1 ZINC000043130615 387645985 /nfs/dbraw/zinc/64/59/85/387645985.db2.gz BLTBZHPNLBKVHV-QMMMGPOBSA-N 0 0 248.311 2.421 10 0 BEAERN Cc1ncsc1[C@@](C)(N)C(F)(F)F ZINC000575571704 387744562 /nfs/dbraw/zinc/74/45/62/387744562.db2.gz OCTJRLGCVGBGNC-ZCFIWIBFSA-N 0 0 210.224 2.188 10 0 BEAERN CCCC1(CNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000128578109 387749573 /nfs/dbraw/zinc/74/95/73/387749573.db2.gz KDNPRHILXBKTBF-GHMZBOCLSA-N 0 0 225.332 2.250 10 0 BEAERN Cc1cc([C@@]2([NH3+])CCS[C@@H]2C)sn1 ZINC000575560196 387702708 /nfs/dbraw/zinc/70/27/08/387702708.db2.gz JDENQBIJCXTZSA-VXNVDRBHSA-N 0 0 214.359 2.131 10 0 BEAERN CCc1nc2ccc(Cl)cc2[nH]c1=O ZINC000575447836 387706497 /nfs/dbraw/zinc/70/64/97/387706497.db2.gz LOUXGCXCSDTNRK-UHFFFAOYSA-N 0 0 208.648 2.139 10 0 BEAERN CN(c1cc(Cl)nc(Cl)n1)C1CC1 ZINC000306305529 387722534 /nfs/dbraw/zinc/72/25/34/387722534.db2.gz DJQSFRFNYYBFBG-UHFFFAOYSA-N 0 0 218.087 2.382 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000127814756 387725444 /nfs/dbraw/zinc/72/54/44/387725444.db2.gz MNRIVUGLYNSCGC-SDDRHHMPSA-N 0 0 249.310 2.021 10 0 BEAERN C[C@@H](NN)c1c(F)ccc(F)c1Cl ZINC000575569489 387730265 /nfs/dbraw/zinc/73/02/65/387730265.db2.gz FPTUHSLBEUPVLT-SCSAIBSYSA-N 0 0 206.623 2.143 10 0 BEAERN Cc1ccsc1-c1nnc(C=O)s1 ZINC000575570694 387738559 /nfs/dbraw/zinc/73/85/59/387738559.db2.gz KTYFVUSWVJBKHV-UHFFFAOYSA-N 0 0 210.283 2.388 10 0 BEAERN C[C@H](NC(=O)C1CC1)[C@H]1COc2ccccc21 ZINC000129103895 387764837 /nfs/dbraw/zinc/76/48/37/387764837.db2.gz RGYBBGOKJJVQJX-JOYOIKCWSA-N 0 0 231.295 2.077 10 0 BEAERN Cc1cc(CO)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575638632 387832250 /nfs/dbraw/zinc/83/22/50/387832250.db2.gz SKXYVLOAPZGEAL-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1c(C#N)ccc(OC(F)F)c1C=O ZINC000575637992 387832827 /nfs/dbraw/zinc/83/28/27/387832827.db2.gz BUMPFYICHGVSFT-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(C#N)cc(OCC)c1C=O ZINC000575638166 387832953 /nfs/dbraw/zinc/83/29/53/387832953.db2.gz MAJOUTXMVJRXGD-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN CCOc1cc(C#N)cc(CO)c1OC(F)F ZINC000575639049 387833606 /nfs/dbraw/zinc/83/36/06/387833606.db2.gz NCKHGMDQSQMTAL-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1cc(OC(F)(F)F)c(C)cc1N ZINC000575638967 387833631 /nfs/dbraw/zinc/83/36/31/387833631.db2.gz GETYRRNIHSJIKJ-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN CCOc1cc(C=O)cc(C#N)c1OCC ZINC000575638215 387833727 /nfs/dbraw/zinc/83/37/27/387833727.db2.gz MZYBJLZQTUABNP-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN COc1cc(C#N)c(OC(F)F)cc1F ZINC000575639057 387833990 /nfs/dbraw/zinc/83/39/90/387833990.db2.gz CPDOLZLZVJMQEU-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN COC(=O)Cc1cc(C)c(C(F)(F)F)cc1N ZINC000575639463 387836077 /nfs/dbraw/zinc/83/60/77/387836077.db2.gz HBWQPPPYBRCPRY-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1cc(C=O)cc(C#N)c1OC(F)F ZINC000575639091 387836223 /nfs/dbraw/zinc/83/62/23/387836223.db2.gz NTSMYEHPDLFPOX-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN COc1cc(F)c(C#N)cc1OC(F)F ZINC000575639390 387836459 /nfs/dbraw/zinc/83/64/59/387836459.db2.gz HANUVPBUUNIOTC-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN N#Cc1c(C=O)c(F)ccc1OC(F)F ZINC000575639631 387837081 /nfs/dbraw/zinc/83/70/81/387837081.db2.gz JCKPBSMRURQOTG-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCOc1cc(C=O)c(C#N)c(OC(F)F)c1 ZINC000575640210 387838193 /nfs/dbraw/zinc/83/81/93/387838193.db2.gz WYWPVQQHLVDHAS-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCc1cc(CO)cc(C#N)c1OC(F)F ZINC000575640148 387838237 /nfs/dbraw/zinc/83/82/37/387838237.db2.gz KZOYVUAFXZPOBJ-UHFFFAOYSA-N 0 0 227.210 2.214 10 0 BEAERN Cc1cc(OC(F)F)c(C=O)cc1C#N ZINC000575640641 387839540 /nfs/dbraw/zinc/83/95/40/387839540.db2.gz KATAMDBMHZSMLD-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CCc1cc(C#N)c(C(F)F)c(C(N)=O)c1 ZINC000575640852 387839607 /nfs/dbraw/zinc/83/96/07/387839607.db2.gz JKIZSABFDCBFFB-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COC(=O)c1c(N)ccc(C(F)(F)F)c1C ZINC000575640709 387840027 /nfs/dbraw/zinc/84/00/27/387840027.db2.gz ODDWXXROHFGGAN-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COc1cc(OC(F)F)cc(C)c1C#N ZINC000575641729 387842237 /nfs/dbraw/zinc/84/22/37/387842237.db2.gz TWXBAXUQZSNYBF-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COc1ccc(C)c(C#N)c1OC(F)F ZINC000575639871 387842272 /nfs/dbraw/zinc/84/22/72/387842272.db2.gz CEONDYQRFZAMBW-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN N#Cc1cc(F)c(C=O)cc1OC(F)F ZINC000575641642 387843016 /nfs/dbraw/zinc/84/30/16/387843016.db2.gz WVYPCBREUOTXQU-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN CCOc1cc(F)c(C#N)cc1C(C)=O ZINC000575642640 387843697 /nfs/dbraw/zinc/84/36/97/387843697.db2.gz FYCQUNSAAOFDDQ-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(F)c(C#N)c(C(C)=O)c1 ZINC000575642534 387843930 /nfs/dbraw/zinc/84/39/30/387843930.db2.gz DYVNKDPPMMBDLY-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN N#Cc1c(F)c(OC(F)F)ccc1C=O ZINC000575641772 387844203 /nfs/dbraw/zinc/84/42/03/387844203.db2.gz YOKUYKTYTUJJOS-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COc1cc(C)cc(OC(F)F)c1C#N ZINC000575641760 387844625 /nfs/dbraw/zinc/84/46/25/387844625.db2.gz URYOCTDMQLOVFK-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCc1cc(C#N)c(C(N)=O)cc1C(F)F ZINC000575642302 387845892 /nfs/dbraw/zinc/84/58/92/387845892.db2.gz YGRPHJYGRPHSHF-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COc1c(C)cc(C#N)cc1OC(F)F ZINC000575642080 387845995 /nfs/dbraw/zinc/84/59/95/387845995.db2.gz WEXRDTKPOWUHGS-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN COC(=O)Cc1cc(C(F)(F)F)cc(N)c1C ZINC000575641366 387847219 /nfs/dbraw/zinc/84/72/19/387847219.db2.gz RVHMBCIXXOKUBD-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCOc1c(C#N)c(CO)ccc1C(F)F ZINC000575642328 387847918 /nfs/dbraw/zinc/84/79/18/387847918.db2.gz ZOCNZBQHZRPSAL-UHFFFAOYSA-N 0 0 227.210 2.387 10 0 BEAERN CC(C)CNC(=O)C[C@H](C)c1cccnc1 ZINC000062618158 387853113 /nfs/dbraw/zinc/85/31/13/387853113.db2.gz BZHCAXWIFAXHMB-NSHDSACASA-N 0 0 220.316 2.347 10 0 BEAERN CC(=O)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555096 387853861 /nfs/dbraw/zinc/85/38/61/387853861.db2.gz CAGHYNPIKQTVHY-ZDUSSCGKSA-N 0 0 233.311 2.324 10 0 BEAERN CC[C@@H](C)NC(=O)C[C@@H](C)c1cccnc1 ZINC000062618318 387854086 /nfs/dbraw/zinc/85/40/86/387854086.db2.gz MVYSPRJVUMGCLP-GHMZBOCLSA-N 0 0 220.316 2.490 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194185121 387874439 /nfs/dbraw/zinc/87/44/39/387874439.db2.gz MZASSYJSZTXZLS-RAIGVLPGSA-N 0 0 247.342 2.098 10 0 BEAERN CCOc1cc(C#N)c(C=O)cc1CC ZINC000575642842 387864335 /nfs/dbraw/zinc/86/43/35/387864335.db2.gz IBJAKTQUYSRLRT-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)C2CC2)cc1N ZINC000035732589 387866267 /nfs/dbraw/zinc/86/62/67/387866267.db2.gz PTVYWDMAPIAVKN-VIFPVBQESA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cc(C)c([C@@H](C[NH3+])CC(=O)[O-])c(C)c1 ZINC000082289640 177871399 /nfs/dbraw/zinc/87/13/99/177871399.db2.gz ZMUIVCULIKMIJP-LLVKDONJSA-N 0 0 221.300 2.129 10 0 BEAERN N#Cc1cc(CO)c(F)cc1C(F)F ZINC000575644209 387869339 /nfs/dbraw/zinc/86/93/39/387869339.db2.gz WVWLIZOGGBMMGC-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN COc1cc(C#N)c(C(F)(F)F)cc1CO ZINC000575650656 387889685 /nfs/dbraw/zinc/88/96/85/387889685.db2.gz USJOXWOUOLLKMW-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCOc1c(C#N)cc(OC)cc1C(C)=O ZINC000575650584 387890004 /nfs/dbraw/zinc/89/00/04/387890004.db2.gz WBUYYOZXPDARBC-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN COc1cc(C#N)c(C=O)c(C(F)(F)F)c1 ZINC000575649939 387890140 /nfs/dbraw/zinc/89/01/40/387890140.db2.gz UMHOGQDSXDAWDB-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN N#Cc1c(F)c(CO)ccc1OC(F)(F)F ZINC000575650585 387890291 /nfs/dbraw/zinc/89/02/91/387890291.db2.gz ZKLUSWKPGMQRRT-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN CCc1c(C(C)=O)ccc([N+](=O)[O-])c1C#N ZINC000575650325 387891213 /nfs/dbraw/zinc/89/12/13/387891213.db2.gz YIBIOKFLGMNMRU-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN CCc1ccc(O)c(CO)c1OC(F)F ZINC000575653471 387895657 /nfs/dbraw/zinc/89/56/57/387895657.db2.gz IMVCJICBIMDYQX-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(O)c(CO)cc1OC(F)F ZINC000575653469 387895960 /nfs/dbraw/zinc/89/59/60/387895960.db2.gz IKXINWIMMZBKNN-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1ccc(CO)c(OC(F)F)c1F ZINC000575653690 387896289 /nfs/dbraw/zinc/89/62/89/387896289.db2.gz MDHWXQKPMQGAMY-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(C=O)c(O)cc1OC(F)F ZINC000575654316 387897185 /nfs/dbraw/zinc/89/71/85/387897185.db2.gz YJNMBWJOKJMQDM-UHFFFAOYSA-N 0 0 216.183 2.369 10 0 BEAERN CCc1cc(F)c(CO)c(OC(F)F)c1 ZINC000575654262 387897396 /nfs/dbraw/zinc/89/73/96/387897396.db2.gz XQPGTCUOVFRYAR-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN COc1c(C#N)c(CO)ccc1C(F)(F)F ZINC000575645820 387876680 /nfs/dbraw/zinc/87/66/80/387876680.db2.gz DSVGYPPOTBDJPW-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN CCc1cc(C=O)c(C(C)=O)cc1C#N ZINC000575645267 387880150 /nfs/dbraw/zinc/88/01/50/387880150.db2.gz HBQNFUWBHZTPOB-UHFFFAOYSA-N 0 0 201.225 2.136 10 0 BEAERN N#CCc1cc(C=O)c(C#N)c(C(F)(F)F)c1 ZINC000575647894 387880611 /nfs/dbraw/zinc/88/06/11/387880611.db2.gz PGDWWSOTLCPGOP-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN CCc1c(C#N)cc(OC)cc1[N+](=O)[O-] ZINC000575647657 387884078 /nfs/dbraw/zinc/88/40/78/387884078.db2.gz MWMBCVMMGIKRNS-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCOc1cc(C#N)cc(OCC)c1[N+](=O)[O-] ZINC000575648576 387884843 /nfs/dbraw/zinc/88/48/43/387884843.db2.gz GJQPWCWXXLLLCD-UHFFFAOYSA-N 0 0 236.227 2.264 10 0 BEAERN CC[C@@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000194602748 387885496 /nfs/dbraw/zinc/88/54/96/387885496.db2.gz WXAAZPBANNQTDW-MWLCHTKSSA-N 0 0 234.299 2.218 10 0 BEAERN CCOc1cc(F)c(C#N)c(OCC)c1 ZINC000575648824 387885658 /nfs/dbraw/zinc/88/56/58/387885658.db2.gz JSUIHIXARRHBCH-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN OCc1cc(O)c(OC(F)F)cc1C(F)F ZINC000575651836 387899431 /nfs/dbraw/zinc/89/94/31/387899431.db2.gz FKGBCQPPZZDCOI-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1CCC[C@H](O)[C@@H]1C ZINC000452725892 387899959 /nfs/dbraw/zinc/89/99/59/387899959.db2.gz FFWBXJGMXGUYEP-WOPDTQHZSA-N 0 0 241.375 2.431 10 0 BEAERN Cc1cc(F)ccc1NCc1nnnn1C(C)C ZINC000194985242 387901379 /nfs/dbraw/zinc/90/13/79/387901379.db2.gz PYCSRFBZFMFWKD-UHFFFAOYSA-N 0 0 249.293 2.314 10 0 BEAERN CNc1ncc2cc(Br)sc2n1 ZINC000066347820 387913236 /nfs/dbraw/zinc/91/32/36/387913236.db2.gz NQTKUOONLCBXFM-UHFFFAOYSA-N 0 0 244.117 2.496 10 0 in-vitro BEAERN CCN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195373780 387913916 /nfs/dbraw/zinc/91/39/16/387913916.db2.gz UTWIDGSXWCWNIK-VIFPVBQESA-N 0 0 209.293 2.350 10 0 BEAERN Cc1cc(C)c(C(=O)N2CCCO2)c(C)c1 ZINC000125344072 177841983 /nfs/dbraw/zinc/84/19/83/177841983.db2.gz UNCOCLMBUGIQRH-UHFFFAOYSA-N 0 0 219.284 2.389 10 0 BEAERN Cc1cccc(Br)c1NN ZINC000238498714 387935035 /nfs/dbraw/zinc/93/50/35/387935035.db2.gz KUPKCSVETTXFKG-UHFFFAOYSA-N 0 0 201.067 2.043 10 0 BEAERN COCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195323629 387920302 /nfs/dbraw/zinc/92/03/02/387920302.db2.gz WEAVTMYIXQBCJA-NSHDSACASA-N 0 0 240.372 2.277 10 0 BEAERN COCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195340159 387920449 /nfs/dbraw/zinc/92/04/49/387920449.db2.gz GZTWRDBDNDQQRY-LLVKDONJSA-N 0 0 240.372 2.359 10 0 BEAERN CC(C)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521747 387922448 /nfs/dbraw/zinc/92/24/48/387922448.db2.gz UTNRQEYESYDXRB-SNVBAGLBSA-N 0 0 226.345 2.172 10 0 BEAERN CC[C@@H]1C[C@H](C(=O)N[C@H](C)C(C)C)CCO1 ZINC000245692048 387973831 /nfs/dbraw/zinc/97/38/31/387973831.db2.gz KKRXNQLHHDQMIX-IJLUTSLNSA-N 0 0 227.348 2.352 10 0 BEAERN CNC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000045637037 387990717 /nfs/dbraw/zinc/99/07/17/387990717.db2.gz RSDIRWYCIWUNON-OUAUKWLOSA-N 0 0 212.337 2.376 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC2(C)C)O1 ZINC000245960254 387997219 /nfs/dbraw/zinc/99/72/19/387997219.db2.gz CSLREDOMCAWKEG-VWYCJHECSA-N 0 0 225.332 2.249 10 0 BEAERN C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000245966105 387997965 /nfs/dbraw/zinc/99/79/65/387997965.db2.gz DTFNSYXGRHVAGK-NQBHXWOUSA-N 0 0 248.326 2.169 10 0 BEAERN C[C@@H](N(C)C(=O)[C@@H]1CC[C@@H](C)O1)C1(C)CC1 ZINC000245988292 388001198 /nfs/dbraw/zinc/00/11/98/388001198.db2.gz HXAWTWBTJQNNEI-MXWKQRLJSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C)[C@H]2C)O1 ZINC000246115700 388011235 /nfs/dbraw/zinc/01/12/35/388011235.db2.gz YBALKZHOZXABBD-DDHJBXDOSA-N 0 0 225.332 2.201 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000246065911 388005468 /nfs/dbraw/zinc/00/54/68/388005468.db2.gz RPSAMAMEECTGHJ-OUAUKWLOSA-N 0 0 213.321 2.249 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCCC[C@@H]3C2)O1 ZINC000246068838 388005525 /nfs/dbraw/zinc/00/55/25/388005525.db2.gz RYUXJFFXVAFKGU-FDYHWXHSSA-N 0 0 237.343 2.203 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)O1 ZINC000246081359 388007460 /nfs/dbraw/zinc/00/74/60/388007460.db2.gz TYAFRRNAFRBZEM-ZOLYEBIHSA-N 0 0 239.359 2.495 10 0 BEAERN O=Cc1c(Cl)cncc1OC(F)F ZINC000306620684 388010789 /nfs/dbraw/zinc/01/07/89/388010789.db2.gz XMJGZNCFHZOJMC-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N2C[C@H](C)CC[C@@H]2C)O1 ZINC000246133582 388012041 /nfs/dbraw/zinc/01/20/41/388012041.db2.gz ZUFQWXPPXNSGCA-KXNHARMFSA-N 0 0 225.332 2.201 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000246125189 388012951 /nfs/dbraw/zinc/01/29/51/388012951.db2.gz YZDNFGUHENDDQP-RWMBFGLXSA-N 0 0 239.359 2.449 10 0 BEAERN c1cc2nc([C@@H]3CCSC3)nc-2c[nH]1 ZINC000069985652 388077404 /nfs/dbraw/zinc/07/74/04/388077404.db2.gz RRLXZVJYPOYMNO-SSDOTTSWSA-N 0 0 205.286 2.178 10 0 BEAERN CC[C@@H]1CCCCN1Cc1nnc(C2CC2)n1C ZINC000195007261 388082179 /nfs/dbraw/zinc/08/21/79/388082179.db2.gz ZAJDHDCOWSWRPS-GFCCVEGCSA-N 0 0 248.374 2.457 10 0 BEAERN CSCC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000055479937 388091244 /nfs/dbraw/zinc/09/12/44/388091244.db2.gz VFWDEJZBTQJYFP-UWVGGRQHSA-N 0 0 215.362 2.292 10 0 BEAERN CSCC(=O)NCC1CCC(C)CC1 ZINC000055489181 388091307 /nfs/dbraw/zinc/09/13/07/388091307.db2.gz ZJHUFJOODKHPCJ-UHFFFAOYSA-N 0 0 215.362 2.292 10 0 BEAERN CCN(Cc1nnnn1C(C)C)C1CCCC1 ZINC000195082632 388096750 /nfs/dbraw/zinc/09/67/50/388096750.db2.gz XQMHIUVVUSGZSN-UHFFFAOYSA-N 0 0 237.351 2.019 10 0 BEAERN COC(=O)c1nc(N)sc1-c1ccc(C)cc1 ZINC000083239394 388161319 /nfs/dbraw/zinc/16/13/19/388161319.db2.gz JLOLKCQMMPWPIF-UHFFFAOYSA-N 0 0 248.307 2.487 10 0 BEAERN Cc1cc(C(=O)N2CCS[C@@H](C)C2)c(C)o1 ZINC000171575456 388129423 /nfs/dbraw/zinc/12/94/23/388129423.db2.gz FKLALNYKYUDDOA-VIFPVBQESA-N 0 0 239.340 2.474 10 0 BEAERN C[C@H](CC(=O)[O-])C[C@@H]([NH3+])CC(C)(C)C ZINC000521401083 256516858 /nfs/dbraw/zinc/51/68/58/256516858.db2.gz FOYDOCVSZJRLLO-DTWKUNHWSA-N 0 0 201.310 2.251 10 0 BEAERN CC(=O)Nc1cccc(-c2ccc(=O)[nH]c2)c1 ZINC000065339309 388258267 /nfs/dbraw/zinc/25/82/67/388258267.db2.gz RYGJGFRLOJQOOC-UHFFFAOYSA-N 0 0 228.251 2.000 10 0 BEAERN C[C@]1(C[C@H]2CSCC2=O)CC1(F)F ZINC000575522681 388358638 /nfs/dbraw/zinc/35/86/38/388358638.db2.gz BUDLPNRPSREPDT-XPUUQOCRSA-N 0 0 206.257 2.354 10 0 BEAERN Cc1cc(C)c(NN)c(Br)c1 ZINC000003676546 388385755 /nfs/dbraw/zinc/38/57/55/388385755.db2.gz YEWZJYJJBULGPS-UHFFFAOYSA-N 0 0 215.094 2.352 10 0 BEAERN COC[C@H]1CCN1C/C(Cl)=C/Cl ZINC000293574468 388390539 /nfs/dbraw/zinc/39/05/39/388390539.db2.gz NEGHWMYESZHJDC-RBMBQVQZSA-N 0 0 210.104 2.026 10 0 BEAERN CNc1cc(C)[nH+]c2c(C(=O)[O-])cccc12 ZINC000004226558 388395337 /nfs/dbraw/zinc/39/53/37/388395337.db2.gz SVPCSGPCPBLRDH-UHFFFAOYSA-N 0 0 216.240 2.283 10 0 BEAERN CCc1ccc(C(=O)N2C[C@H](C)C[C@H](O)C2)cc1 ZINC000335087113 388448236 /nfs/dbraw/zinc/44/82/36/388448236.db2.gz RADAMSJFZGBMMX-RISCZKNCSA-N 0 0 247.338 2.092 10 0 BEAERN CCc1c(Cl)ncnc1N[C@H]1CCO[C@H]1C ZINC000134584410 388476710 /nfs/dbraw/zinc/47/67/10/388476710.db2.gz MUZOEDMMLABKSS-CBAPKCEASA-N 0 0 241.722 2.282 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1C(=O)Nc1ccccc1 ZINC000296056694 388417012 /nfs/dbraw/zinc/41/70/12/388417012.db2.gz CCKZCTVJPCGXKM-PWSUYJOCSA-N 0 0 234.299 2.064 10 0 BEAERN c1ncc(CN2CCO[C@H]3CCCC[C@H]32)s1 ZINC000245512775 388421648 /nfs/dbraw/zinc/42/16/48/388421648.db2.gz AYVFNYFEQBZZET-NEPJUHHUSA-N 0 0 238.356 2.287 10 0 BEAERN CON(C)C(=O)C1CCC(C(C)C)CC1 ZINC000202429908 388422485 /nfs/dbraw/zinc/42/24/85/388422485.db2.gz UOOJXRZPUMFOJF-UHFFFAOYSA-N 0 0 213.321 2.469 10 0 BEAERN CC(C)OC(=O)N1CCSC[C@@H](C)C1 ZINC000307304073 388423563 /nfs/dbraw/zinc/42/35/63/388423563.db2.gz GQDJMFWNENYOJN-VIFPVBQESA-N 0 0 217.334 2.216 10 0 BEAERN CC[C@@H](CC(C)C)C(=O)N1CC[C@H](CCO)C1 ZINC000307985756 388429322 /nfs/dbraw/zinc/42/93/22/388429322.db2.gz CPAXNFWETLLMIZ-OLZOCXBDSA-N 0 0 241.375 2.290 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1CC[C@@H](CCO)C1 ZINC000307985757 388429597 /nfs/dbraw/zinc/42/95/97/388429597.db2.gz CPAXNFWETLLMIZ-QWHCGFSZSA-N 0 0 241.375 2.290 10 0 BEAERN COC(=O)c1coc(-c2ccc(OC)cc2)n1 ZINC000066054907 388547466 /nfs/dbraw/zinc/54/74/66/388547466.db2.gz DFKBJKUJIGHDGT-UHFFFAOYSA-N 0 0 233.223 2.137 10 0 BEAERN COC(=O)[C@H](CC(C)C)NC1(C(C)C)CC1 ZINC000339513944 388484949 /nfs/dbraw/zinc/48/49/49/388484949.db2.gz WORLFZWWMIIOEL-NSHDSACASA-N 0 0 227.348 2.352 10 0 BEAERN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000374460326 388489853 /nfs/dbraw/zinc/48/98/53/388489853.db2.gz FZBZZAMXOOOVFX-JTNHKYCSSA-N 0 0 247.342 2.340 10 0 BEAERN C[C@H]1CC[C@H](O)CN1C(=O)C(C)(C)C(C)(F)F ZINC000405914672 388495021 /nfs/dbraw/zinc/49/50/21/388495021.db2.gz IXFGPTVTLIBWHR-IUCAKERBSA-N 0 0 249.301 2.040 10 0 BEAERN Cc1nnc(N[C@@H]2CCC[C@H]3C[C@H]32)nc1C ZINC000378755617 388496877 /nfs/dbraw/zinc/49/68/77/388496877.db2.gz XTXYEKDCECOCNT-HBNTYKKESA-N 0 0 218.304 2.089 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(C)(C)C ZINC000345192523 388511010 /nfs/dbraw/zinc/51/10/10/388511010.db2.gz DLTHSVIKCYBWBI-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN c1cc2c(s1)CC[NH2+][C@@H]2c1cccnc1 ZINC000066054607 388534185 /nfs/dbraw/zinc/53/41/85/388534185.db2.gz VFMHJJPZRDRFGU-GFCCVEGCSA-N 0 0 216.309 2.378 10 0 BEAERN CCOc1ccc(CC(=O)OC)cc1OCC ZINC000082723639 388587941 /nfs/dbraw/zinc/58/79/41/388587941.db2.gz LOCBXENIBVRZCK-UHFFFAOYSA-N 0 0 238.283 2.200 10 0 BEAERN C[C@@H]1CCC[C@H]1CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000186643038 388602086 /nfs/dbraw/zinc/60/20/86/388602086.db2.gz JPLNPMMKNPLQNC-NDBYEHHHSA-N 0 0 239.359 2.449 10 0 BEAERN CCc1cc(C)c(C(=O)N[C@H](C)CCOC)o1 ZINC000136975052 388554119 /nfs/dbraw/zinc/55/41/19/388554119.db2.gz ZCEVLLNIOPMAHW-SNVBAGLBSA-N 0 0 239.315 2.305 10 0 BEAERN CCOC(=N)c1c(Cl)cnnc1Cl ZINC000217930307 388574689 /nfs/dbraw/zinc/57/46/89/388574689.db2.gz HOARFRDGNKCYSZ-UHFFFAOYSA-N 0 0 220.059 2.145 10 0 BEAERN CC(C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2C)C1 ZINC000245484322 388583347 /nfs/dbraw/zinc/58/33/47/388583347.db2.gz HEUWHRUWBWTLJE-SRVKXCTJSA-N 0 0 224.348 2.472 10 0 BEAERN CCOC(=O)CN[C@@H]1CCCC[C@@H]1C(C)C ZINC000125687915 388674073 /nfs/dbraw/zinc/67/40/73/388674073.db2.gz BLJWAHZCZIMPOV-VXGBXAGGSA-N 0 0 227.348 2.354 10 0 BEAERN CCCCC(=O)NCCCCSC ZINC000125729290 388675270 /nfs/dbraw/zinc/67/52/70/388675270.db2.gz NMKPTQRFNKLUMG-UHFFFAOYSA-N 0 0 203.351 2.436 10 0 BEAERN N=c1[nH]cc(-c2nccc3ccccc32)o1 ZINC000575441871 388634417 /nfs/dbraw/zinc/63/44/17/388634417.db2.gz FVPWMAMYPBMSRJ-UHFFFAOYSA-N 0 0 211.224 2.302 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246563978 388644380 /nfs/dbraw/zinc/64/43/80/388644380.db2.gz HMHQDTZPLCOTKY-RHYQMDGZSA-N 0 0 222.332 2.226 10 0 BEAERN Clc1ccc(Cn2cnnc2Cl)o1 ZINC000575453486 388749219 /nfs/dbraw/zinc/74/92/19/388749219.db2.gz NCXTTZOKNJRDSU-UHFFFAOYSA-N 0 0 218.043 2.226 10 0 BEAERN CC[C@@H](NC(=O)N(C)C1CCC1)[C@@H]1CCCO1 ZINC000128367095 388751724 /nfs/dbraw/zinc/75/17/24/388751724.db2.gz GRKSMCXGIJHOGW-NEPJUHHUSA-N 0 0 240.347 2.138 10 0 BEAERN OC1CC(CNc2cc(C(F)(F)F)ccn2)C1 ZINC000090803690 388753132 /nfs/dbraw/zinc/75/31/32/388753132.db2.gz YVCQTFOLPAVSNM-UHFFFAOYSA-N 0 0 246.232 2.283 10 0 BEAERN CC(C)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000126222796 388692765 /nfs/dbraw/zinc/69/27/65/388692765.db2.gz KXOATOJVTHDOSE-UHFFFAOYSA-N 0 0 235.331 2.270 10 0 BEAERN Nc1nnc([C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000127063793 388699909 /nfs/dbraw/zinc/69/99/09/388699909.db2.gz QEQKYXFPSIPUJU-NTSWFWBYSA-N 0 0 235.209 2.488 10 0 BEAERN CC(C)n1ccnc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000195513689 388711479 /nfs/dbraw/zinc/71/14/79/388711479.db2.gz XRTRHUUQBWXGFJ-RYUDHWBXSA-N 0 0 237.347 2.073 10 0 BEAERN CC(C)CCOCCNC(=O)OC(C)C ZINC000127217828 388718340 /nfs/dbraw/zinc/71/83/40/388718340.db2.gz FSHNTRGUARTUNN-UHFFFAOYSA-N 0 0 217.309 2.184 10 0 BEAERN CCc1cc(C(=O)Nc2n[nH]c(C)n2)oc1CC ZINC000127311596 388720474 /nfs/dbraw/zinc/72/04/74/388720474.db2.gz RWIATSZTHLUYBF-UHFFFAOYSA-N 0 0 248.286 2.083 10 0 BEAERN C[C@H]1CCC[C@H](C)N1Cc1nnc(C2CC2)n1C ZINC000066531671 388720813 /nfs/dbraw/zinc/72/08/13/388720813.db2.gz YGXGBRLVOZQMSS-QWRGUYRKSA-N 0 0 248.374 2.455 10 0 BEAERN C[C@@H]1[C@H](O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447691 388723401 /nfs/dbraw/zinc/72/34/01/388723401.db2.gz GRGUTZRHELOISE-BREBYQMCSA-N 0 0 241.331 2.014 10 0 BEAERN CN(CCc1ccc(F)cc1)C(=O)c1ccon1 ZINC000128857762 388799727 /nfs/dbraw/zinc/79/97/27/388799727.db2.gz REOPFUUYSKYTDP-UHFFFAOYSA-N 0 0 248.257 2.128 10 0 BEAERN CO[C@@H]1CCC[C@@H](Nc2nnc(C)s2)C1 ZINC000227759854 388758444 /nfs/dbraw/zinc/75/84/44/388758444.db2.gz CEIAOPMYDJZFKQ-RKDXNWHRSA-N 0 0 227.333 2.216 10 0 BEAERN CC(C)COCCCNC(=O)OC(C)C ZINC000227839285 388759962 /nfs/dbraw/zinc/75/99/62/388759962.db2.gz GASJOBBBGSHNQM-UHFFFAOYSA-N 0 0 217.309 2.184 10 0 BEAERN CCOC(=O)Cc1cncc(OC(F)(F)F)c1 ZINC000575340457 388760048 /nfs/dbraw/zinc/76/00/48/388760048.db2.gz JYCCWIOVTQCYSX-UHFFFAOYSA-N 0 0 249.188 2.086 10 0 BEAERN OC1CC(CNc2ccc3ccccc3n2)C1 ZINC000091524859 388764911 /nfs/dbraw/zinc/76/49/11/388764911.db2.gz UEAYHMFAPHHDLN-UHFFFAOYSA-N 0 0 228.295 2.418 10 0 BEAERN CC[C@H](COC)N[C@H](C)c1ncc(C)o1 ZINC000230095804 388814599 /nfs/dbraw/zinc/81/45/99/388814599.db2.gz AAZAVLRHLMMGMJ-NXEZZACHSA-N 0 0 212.293 2.059 10 0 BEAERN Clc1cncc(N[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000230307441 388822928 /nfs/dbraw/zinc/82/29/28/388822928.db2.gz QMGSFIMOEUVJLW-GZMMTYOYSA-N 0 0 239.706 2.109 10 0 BEAERN CC1(C)OCC[C@@H]1c1noc(Cl)n1 ZINC000575465724 388835727 /nfs/dbraw/zinc/83/57/27/388835727.db2.gz QUGZJVGFPFHRKG-RXMQYKEDSA-N 0 0 202.641 2.006 10 0 BEAERN C[C@@H](O)c1cc(N)cc(Br)c1 ZINC000575479757 388861904 /nfs/dbraw/zinc/86/19/04/388861904.db2.gz PPPXGOJJWQDKFD-RXMQYKEDSA-N 0 0 216.078 2.085 10 0 BEAERN CC[C@H](SC)C(=O)N1CCS[C@@H](C)C1 ZINC000129748966 388869565 /nfs/dbraw/zinc/86/95/65/388869565.db2.gz MSHIMJJDVFUKQL-IUCAKERBSA-N 0 0 233.402 2.092 10 0 BEAERN CCc1nnc(CN[C@@H](C)c2ccc(C)o2)o1 ZINC000193281720 388845439 /nfs/dbraw/zinc/84/54/39/388845439.db2.gz KAXHUBCSFIRSFY-VIFPVBQESA-N 0 0 235.287 2.384 10 0 BEAERN c1nscc1NC1CCC2(CC1)OCCO2 ZINC000575471828 388849311 /nfs/dbraw/zinc/84/93/11/388849311.db2.gz NWOKIENMZFSDJV-UHFFFAOYSA-N 0 0 240.328 2.241 10 0 BEAERN Cc1c[nH]nc1NC(=O)CSc1ccccc1 ZINC000112635171 177678340 /nfs/dbraw/zinc/67/83/40/177678340.db2.gz AHPIHJHVCUQJJH-UHFFFAOYSA-N 0 0 247.323 2.449 10 0 BEAERN Cc1ncc(C(=O)C(F)(F)Cl)s1 ZINC000575490672 388915827 /nfs/dbraw/zinc/91/58/27/388915827.db2.gz JQDZGEVFLCOGOD-UHFFFAOYSA-N 0 0 211.620 2.466 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC[C@H](F)C2)n1 ZINC000336335407 132246772 /nfs/dbraw/zinc/24/67/72/132246772.db2.gz NNDOSMVQWMKAOM-VIFPVBQESA-N 0 0 227.258 2.171 10 0 BEAERN O=C1CO[C@H](c2ccccc2Br)C1 ZINC000575502092 388990610 /nfs/dbraw/zinc/99/06/10/388990610.db2.gz MZFXXFNTGHSZIH-JTQLQIEISA-N 0 0 241.084 2.480 10 0 BEAERN Brc1cc(N[C@H]2C=CCC2)ncn1 ZINC000575503426 388990627 /nfs/dbraw/zinc/99/06/27/388990627.db2.gz PFMHGNIVMYXSPL-ZETCQYMHSA-N 0 0 240.104 2.370 10 0 BEAERN Cc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)cc1C ZINC000268649268 389003639 /nfs/dbraw/zinc/00/36/39/389003639.db2.gz DCRCVVZZTFQMJN-CYBMUJFWSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1cc(C)cc(C(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000268719536 389003652 /nfs/dbraw/zinc/00/36/52/389003652.db2.gz NKWOXLAOMFJXME-CYBMUJFWSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1c(=O)ccn2c1CCc1ccccc1-2 ZINC000027211803 177637399 /nfs/dbraw/zinc/63/73/99/177637399.db2.gz POEIHRYHSHOMRL-UHFFFAOYSA-N 0 0 211.264 2.245 10 0 in-vivo BEAERN Cc1cnc(N[C@H](C)[C@H]2CCCO2)nc1C ZINC000270730371 389013409 /nfs/dbraw/zinc/01/34/09/389013409.db2.gz UGSWIYZDIVBCJV-GHMZBOCLSA-N 0 0 221.304 2.073 10 0 BEAERN CN(CC1CCC1)C(=O)c1cc(F)ccc1N ZINC000061453687 1172682547 /nfs/dbraw/zinc/68/25/47/1172682547.db2.gz WFMXTGJTOVYTFU-UHFFFAOYSA-N 0 0 236.290 2.280 10 0 BEAERN COc1cc2c(cc1C=O)N(C)C(=S)CC2 ZINC000039125025 132346690 /nfs/dbraw/zinc/34/66/90/132346690.db2.gz JTOBTQWQJDOKKD-UHFFFAOYSA-N 0 0 235.308 2.218 10 0 BEAERN Nc1cc(N2CCCOC2=O)ccc1Cl ZINC000041054525 132349157 /nfs/dbraw/zinc/34/91/57/132349157.db2.gz WYHONMSAEPALOJ-UHFFFAOYSA-N 0 0 226.663 2.269 10 0 BEAERN COC(=O)[C@@H]1CCCCN1c1ccccc1 ZINC000095830202 132430844 /nfs/dbraw/zinc/43/08/44/132430844.db2.gz VOKNWLCXVZXJEN-LBPRGKRZSA-N 0 0 219.284 2.219 10 0 BEAERN CCN(C)C(=O)N1CCCN(C)c2ccccc21 ZINC000291407973 169680801 /nfs/dbraw/zinc/68/08/01/169680801.db2.gz AGBIVDHYBVGRLF-UHFFFAOYSA-N 0 0 247.342 2.405 10 0 BEAERN CSCCCN(C)C(=O)OC(C)C ZINC000300787778 533561379 /nfs/dbraw/zinc/56/13/79/533561379.db2.gz CJSSLHHZFWAXOK-UHFFFAOYSA-N 0 0 205.323 2.216 10 0 BEAERN CC(C)CC1(CNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000124575813 166782141 /nfs/dbraw/zinc/78/21/41/166782141.db2.gz YJXIJVQUJJQEML-VXGBXAGGSA-N 0 0 239.359 2.496 10 0 BEAERN CCC(C)(C)NC(=O)CN[C@@H](C)c1ccccn1 ZINC000042225006 322837126 /nfs/dbraw/zinc/83/71/26/322837126.db2.gz XLGYVRIIEKLCCK-NSHDSACASA-N 0 0 249.358 2.037 10 0 BEAERN C[C@@H]1CN(c2ccncc2Cl)C[C@@H](C)O1 ZINC000267245304 132188802 /nfs/dbraw/zinc/18/88/02/132188802.db2.gz HQXKAFKJUQNVLF-RKDXNWHRSA-N 0 0 226.707 2.349 10 0 BEAERN C[C@H]1CN(c2ccc(F)cn2)CCS1 ZINC000283750161 132213076 /nfs/dbraw/zinc/21/30/76/132213076.db2.gz KUISVBYFERTFFU-QMMMGPOBSA-N 0 0 212.293 2.162 10 0 BEAERN C[C@H]1CN(c2cccc(F)n2)CCS1 ZINC000122504187 132225120 /nfs/dbraw/zinc/22/51/20/132225120.db2.gz JOFSNTTZMMKWBO-QMMMGPOBSA-N 0 0 212.293 2.162 10 0 BEAERN Nc1cccc2c1CCCN2C(=O)CC1CC1 ZINC000126895922 132230726 /nfs/dbraw/zinc/23/07/26/132230726.db2.gz BMLAIKCBGBTVRM-UHFFFAOYSA-N 0 0 230.311 2.348 10 0 BEAERN C[C@H]1CN(C)c2cc(Cl)cc(N)c2O1 ZINC000062525810 132240100 /nfs/dbraw/zinc/24/01/00/132240100.db2.gz LMNSPCQJTFLNRF-LURJTMIESA-N 0 0 212.680 2.139 10 0 BEAERN Cc1nc(C)c(F)c(N2CCC=C(C)C2)n1 ZINC000336428381 132247840 /nfs/dbraw/zinc/24/78/40/132247840.db2.gz VYJAESSKESUDSC-UHFFFAOYSA-N 0 0 221.279 2.389 10 0 BEAERN c1ccc2c(c1)CCCN2[C@@H]1CCOC1 ZINC000336611947 132249380 /nfs/dbraw/zinc/24/93/80/132249380.db2.gz FMUWXNDABPTAHB-GFCCVEGCSA-N 0 0 203.285 2.228 10 0 BEAERN CN1c2ccccc2C(=O)[C@@H]2C=CC=C[C@@H]21 ZINC000001027304 132282222 /nfs/dbraw/zinc/28/22/22/132282222.db2.gz LKBQKXBDNZMHJZ-PWSUYJOCSA-N 0 0 211.264 2.430 10 0 BEAERN Clc1nnc(N2CCCCC2)c2nccnc12 ZINC000040538811 132296052 /nfs/dbraw/zinc/29/60/52/132296052.db2.gz KHBABPIICYUJCW-UHFFFAOYSA-N 0 0 249.705 2.064 10 0 BEAERN COc1ccc(O)c(N2CCCCC2)c1 ZINC000066079756 132302988 /nfs/dbraw/zinc/30/29/88/132302988.db2.gz QEOMLROINFRYMW-UHFFFAOYSA-N 0 0 207.273 2.391 10 0 BEAERN C[C@@H]1Oc2ccc(Cl)cc2N(C)C1=O ZINC000005723207 132318091 /nfs/dbraw/zinc/31/80/91/132318091.db2.gz PMUIBIMUWQMEAL-LURJTMIESA-N 0 0 211.648 2.084 10 0 BEAERN O=Cc1ccc2c(c1)CCCN2C[C@H]1CCCO1 ZINC000008419688 132318855 /nfs/dbraw/zinc/31/88/55/132318855.db2.gz GBISFSCNKDPIDR-CQSZACIVSA-N 0 0 245.322 2.431 10 0 BEAERN C[C@@H]1C[C@H](C)CN(c2ncccc2C(N)=S)C1 ZINC000019805753 132327567 /nfs/dbraw/zinc/32/75/67/132327567.db2.gz VIJRSKPARQKSLF-AOOOYVTPSA-N 0 0 249.383 2.198 10 0 BEAERN COC(=O)CCN1CCCc2cc(C)ccc21 ZINC000020361970 132331382 /nfs/dbraw/zinc/33/13/82/132331382.db2.gz OIGPPLGLTIULPC-UHFFFAOYSA-N 0 0 233.311 2.311 10 0 BEAERN C[C@@H]1CN(c2c(N)cccc2Cl)CCO1 ZINC000021957858 132332040 /nfs/dbraw/zinc/33/20/40/132332040.db2.gz IOBMIUVAVQAZRL-MRVPVSSYSA-N 0 0 226.707 2.147 10 0 BEAERN CN1c2ccc(C=O)nc2N(C)c2cccnc21 ZINC000028087063 132334054 /nfs/dbraw/zinc/33/40/54/132334054.db2.gz DKLYPGLWNWWDGI-UHFFFAOYSA-N 0 0 240.266 2.138 10 0 BEAERN Nc1ccc(N2CCSCC2)c2ccncc12 ZINC000035332417 132338129 /nfs/dbraw/zinc/33/81/29/132338129.db2.gz YFJFFNIHLBYDBY-UHFFFAOYSA-N 0 0 245.351 2.370 10 0 BEAERN C[C@H]1CN(c2ccc3scnc3c2N)CCO1 ZINC000035344112 132338337 /nfs/dbraw/zinc/33/83/37/132338337.db2.gz HAHBMEXDNLMLLO-QMMMGPOBSA-N 0 0 249.339 2.104 10 0 BEAERN CC(=O)c1ccc(N2CCOC[C@H]2C)c(F)c1 ZINC000035776696 132339438 /nfs/dbraw/zinc/33/94/38/132339438.db2.gz CTOKHIINYBCPIX-SECBINFHSA-N 0 0 237.274 2.253 10 0 BEAERN C[C@@H](O)c1ccc(N2CCOC[C@@H]2C)c(F)c1 ZINC000035777339 132339466 /nfs/dbraw/zinc/33/94/66/132339466.db2.gz XODDOTGYNKBYJO-VHSXEESVSA-N 0 0 239.290 2.104 10 0 BEAERN C[C@@H](O)c1ccccc1N1C[C@H](C)OC[C@H]1C ZINC000035787951 132339690 /nfs/dbraw/zinc/33/96/90/132339690.db2.gz MLDUITRRIJUZQX-GRYCIOLGSA-N 0 0 235.327 2.354 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@H](C)OC[C@H]2C)cc1 ZINC000035787962 132339788 /nfs/dbraw/zinc/33/97/88/132339788.db2.gz XFGHSTLILMUVES-GRYCIOLGSA-N 0 0 235.327 2.354 10 0 BEAERN CC[C@@H]1CCCN(c2ncccc2C(N)=S)C1 ZINC000036170034 132340301 /nfs/dbraw/zinc/34/03/01/132340301.db2.gz ROBDLZZRCVHRHH-SNVBAGLBSA-N 0 0 249.383 2.342 10 0 BEAERN CC[C@@H]1CCCN(c2ccc(C(N)=S)cn2)C1 ZINC000036170028 132340366 /nfs/dbraw/zinc/34/03/66/132340366.db2.gz DFGJYSPLLDYNOF-SNVBAGLBSA-N 0 0 249.383 2.342 10 0 BEAERN CC[C@H]1COCCN1c1ccc(C)cc1N ZINC000036322950 132342321 /nfs/dbraw/zinc/34/23/21/132342321.db2.gz ZUUVIYLCCSHGKN-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@H]1CN(c2ccccc2[C@@H](C)O)CCO1 ZINC000036770308 132342649 /nfs/dbraw/zinc/34/26/49/132342649.db2.gz JETYLBAOSNJJKR-NEPJUHHUSA-N 0 0 235.327 2.355 10 0 BEAERN CC[C@H]1COCCN1c1cccc(F)c1N ZINC000037419862 132344579 /nfs/dbraw/zinc/34/45/79/132344579.db2.gz HYEPVOGOVSDQHQ-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN CC1(C)CN(c2cc(N)cc(F)c2)CCO1 ZINC000037668073 132345071 /nfs/dbraw/zinc/34/50/71/132345071.db2.gz JIYFDJXVPLICFC-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN COCCCN1CCCc2cc(N)ccc21 ZINC000037753917 132345263 /nfs/dbraw/zinc/34/52/63/132345263.db2.gz DFCKGXQISPXCIK-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN Nc1cccc2c1CCCN2[C@H]1CCCC[C@@H]1O ZINC000037906263 132345613 /nfs/dbraw/zinc/34/56/13/132345613.db2.gz VMDXCNHYXSQFQD-GJZGRUSLSA-N 0 0 246.354 2.325 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)N1CCSc2ccc(N)cc21 ZINC000038051234 132346085 /nfs/dbraw/zinc/34/60/85/132346085.db2.gz MHONLXMYNTVKLJ-WPRPVWTQSA-N 0 0 248.351 2.364 10 0 BEAERN O[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000040412291 132347355 /nfs/dbraw/zinc/34/73/55/132347355.db2.gz RGALWXNFYHORMP-LBPRGKRZSA-N 0 0 228.295 2.196 10 0 BEAERN Cc1ccc(N)c(C)c1N1CCCOC1=O ZINC000041054540 132349177 /nfs/dbraw/zinc/34/91/77/132349177.db2.gz CYDUUAWUTYAEBY-UHFFFAOYSA-N 0 0 220.272 2.232 10 0 BEAERN CCCCN1c2ccccc2NCC1=O ZINC000041212920 132349457 /nfs/dbraw/zinc/34/94/57/132349457.db2.gz AYEKPHUVVFUAGK-UHFFFAOYSA-N 0 0 204.273 2.245 10 0 BEAERN C[C@@H](O)c1ccccc1N1CCOCC1(C)C ZINC000042462526 132352231 /nfs/dbraw/zinc/35/22/31/132352231.db2.gz JTGVOYIRYUVLGS-LLVKDONJSA-N 0 0 235.327 2.355 10 0 BEAERN C[C@@H](O)c1ccc(N2CCOCC2(C)C)cc1 ZINC000042462518 132352276 /nfs/dbraw/zinc/35/22/76/132352276.db2.gz GYCHXDXRSPASCU-LLVKDONJSA-N 0 0 235.327 2.355 10 0 BEAERN CCC1CCN(c2ncccc2N)CC1 ZINC000044383200 132354121 /nfs/dbraw/zinc/35/41/21/132354121.db2.gz WXAPESDILIRGPX-UHFFFAOYSA-N 0 0 205.305 2.290 10 0 BEAERN C[C@@H]1CC(=O)CCN1c1ccc(N(C)C)cc1 ZINC000049711476 132357669 /nfs/dbraw/zinc/35/76/69/132357669.db2.gz HBJWVNVJQXGNBC-LLVKDONJSA-N 0 0 232.327 2.310 10 0 BEAERN C[C@H]1C[C@H]1C(=O)N1CCCc2ccc(N)cc21 ZINC000051296293 132359692 /nfs/dbraw/zinc/35/96/92/132359692.db2.gz ZYAXJGZIUVWSPO-JOYOIKCWSA-N 0 0 230.311 2.204 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)N1CCCc2ccc(N)cc21 ZINC000051296290 132359817 /nfs/dbraw/zinc/35/98/17/132359817.db2.gz ZYAXJGZIUVWSPO-CABZTGNLSA-N 0 0 230.311 2.204 10 0 BEAERN OCc1cccc(N2CCc3sccc3C2)n1 ZINC000051041711 132359870 /nfs/dbraw/zinc/35/98/70/132359870.db2.gz JXDRSRUTYCOLAK-UHFFFAOYSA-N 0 0 246.335 2.198 10 0 BEAERN CCC[C@@H](C)CN1c2cc(N)ccc2OCC1=O ZINC000051320406 132360194 /nfs/dbraw/zinc/36/01/94/132360194.db2.gz BGLCCSCJOJIGIN-SNVBAGLBSA-N 0 0 248.326 2.430 10 0 BEAERN C[C@@H]1CN(c2cc(F)ccc2N)C[C@H](C)O1 ZINC000052118772 132362002 /nfs/dbraw/zinc/36/20/02/132362002.db2.gz PUSUQVQKLYZHLD-DTORHVGOSA-N 0 0 224.279 2.022 10 0 BEAERN Nc1ccc(F)cc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000052122033 132362122 /nfs/dbraw/zinc/36/21/22/132362122.db2.gz SDPVOIYSIRNXOA-WCQYABFASA-N 0 0 236.290 2.166 10 0 BEAERN CC1(C)COCCN1c1c(N)ccc(F)c1F ZINC000053166043 132362915 /nfs/dbraw/zinc/36/29/15/132362915.db2.gz YRIRULDZPIMFCI-UHFFFAOYSA-N 0 0 242.269 2.162 10 0 BEAERN CC[C@H]1CN(c2cc(N)ccc2C)CCO1 ZINC000053734999 132363653 /nfs/dbraw/zinc/36/36/53/132363653.db2.gz ZIOUPYYHHRRIPL-LBPRGKRZSA-N 0 0 220.316 2.192 10 0 BEAERN CC1(C)CCN(c2ccc(N)cn2)CC1 ZINC000061819218 132387157 /nfs/dbraw/zinc/38/71/57/132387157.db2.gz MDAOPCUZDWUMOT-UHFFFAOYSA-N 0 0 205.305 2.290 10 0 BEAERN C[C@H]1C[C@H](C)CN(c2ccnc(C(N)=S)c2)C1 ZINC000061812194 132387235 /nfs/dbraw/zinc/38/72/35/132387235.db2.gz LKPGQALJBHPCRY-UWVGGRQHSA-N 0 0 249.383 2.198 10 0 BEAERN CC[C@@H]1CCCN(c2ncnc(Cl)c2N)C1 ZINC000062362879 132387388 /nfs/dbraw/zinc/38/73/88/132387388.db2.gz IRJOELUBWVBOSA-MRVPVSSYSA-N 0 0 240.738 2.339 10 0 BEAERN Cc1cc(C=O)ccc1N1CCn2ccnc2C1 ZINC000062253119 132387686 /nfs/dbraw/zinc/38/76/86/132387686.db2.gz MYCUZTIJJNJPNO-UHFFFAOYSA-N 0 0 241.294 2.024 10 0 BEAERN Cc1c(N)cccc1N1CCOC(C)(C)C1 ZINC000062724772 132388743 /nfs/dbraw/zinc/38/87/43/132388743.db2.gz UEHCYSWKRZFQOX-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN CC1CCN(c2ccc(CCO)cc2)CC1 ZINC000071522005 132393204 /nfs/dbraw/zinc/39/32/04/132393204.db2.gz OQJPVHMXKKTQMU-UHFFFAOYSA-N 0 0 219.328 2.458 10 0 BEAERN Fc1ccc2c(c1)N1CCSC[C@H]1CN2 ZINC000082361504 132413898 /nfs/dbraw/zinc/41/38/98/132413898.db2.gz NGYSRMQMVVPGKW-SECBINFHSA-N 0 0 224.304 2.173 10 0 BEAERN Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@@H]32)c(=O)[nH]1 ZINC000334317191 133618063 /nfs/dbraw/zinc/61/80/63/133618063.db2.gz UMIZARGSAOPGMC-MNOVXSKESA-N 0 0 246.310 2.029 10 0 BEAERN C[C@H](C(=O)N1CC(=O)CC1(C)C)C1CCC1 ZINC000335268861 133824286 /nfs/dbraw/zinc/82/42/86/133824286.db2.gz ITNYNXPNNTZCSA-VIFPVBQESA-N 0 0 223.316 2.003 10 0 BEAERN Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)n1 ZINC000335804609 133914941 /nfs/dbraw/zinc/91/49/41/133914941.db2.gz MVOXLKAMXHKNFL-MNOVXSKESA-N 0 0 231.299 2.406 10 0 BEAERN C[C@H]1CN(C(=O)c2occ3c2CCC3)C[C@H](C)O1 ZINC000335938765 134013684 /nfs/dbraw/zinc/01/36/84/134013684.db2.gz VARGIOAGLWSUIP-UWVGGRQHSA-N 0 0 249.310 2.018 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)C1CC(C)(C)C1 ZINC000335974589 134030963 /nfs/dbraw/zinc/03/09/63/134030963.db2.gz MRKUQWLHILTTNS-AOOOYVTPSA-N 0 0 225.332 2.058 10 0 BEAERN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C)C1 ZINC000336010819 134050771 /nfs/dbraw/zinc/05/07/71/134050771.db2.gz IIZCAHZTQQOVIN-OLZOCXBDSA-N 0 0 238.375 2.118 10 0 BEAERN CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C1CC1 ZINC000167854945 134154229 /nfs/dbraw/zinc/15/42/29/134154229.db2.gz XRKJTIYSTMVKOQ-KOLCDFICSA-N 0 0 234.347 2.064 10 0 BEAERN CCCC(=O)N[C@H](C)c1csc(C)n1 ZINC000170497166 134254336 /nfs/dbraw/zinc/25/43/36/134254336.db2.gz SHHSGFWUDHGXBD-SSDOTTSWSA-N 0 0 212.318 2.429 10 0 BEAERN CCC(CC)CNC(=O)c1ncncc1Cl ZINC000176260621 134291826 /nfs/dbraw/zinc/29/18/26/134291826.db2.gz KJRNRIGTCUKLCL-UHFFFAOYSA-N 0 0 241.722 2.296 10 0 BEAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000178280710 134305558 /nfs/dbraw/zinc/30/55/58/134305558.db2.gz LKJMZSSQCMWWTR-JFGNBEQYSA-N 0 0 225.332 2.249 10 0 BEAERN O[C@@]12CCCC[C@@H]1CN(CC(F)(F)F)CC2 ZINC000220384137 134306169 /nfs/dbraw/zinc/30/61/69/134306169.db2.gz SPKYAZPXRZFBEC-NXEZZACHSA-N 0 0 237.265 2.176 10 0 BEAERN CCCCCC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178342970 134308836 /nfs/dbraw/zinc/30/88/36/134308836.db2.gz FGODQVUYBCBWPY-DZGCQCFKSA-N 0 0 247.338 2.341 10 0 BEAERN COc1ccc(CN[C@H](C)c2ncc(C)o2)cn1 ZINC000220900614 134314916 /nfs/dbraw/zinc/31/49/16/134314916.db2.gz WPHJAPPKSDNVQE-SNVBAGLBSA-N 0 0 247.298 2.237 10 0 BEAERN COc1ccc(CN[C@@H](C)c2ncc(C)o2)cn1 ZINC000220900557 134315065 /nfs/dbraw/zinc/31/50/65/134315065.db2.gz WPHJAPPKSDNVQE-JTQLQIEISA-N 0 0 247.298 2.237 10 0 BEAERN CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)OC)c1C ZINC000223969019 134343781 /nfs/dbraw/zinc/34/37/81/134343781.db2.gz YZAUKBJTLGMREW-NXEZZACHSA-N 0 0 239.363 2.205 10 0 BEAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccsc1 ZINC000225650184 134356555 /nfs/dbraw/zinc/35/65/55/134356555.db2.gz MIBKEUIOIAZUCA-GXSJLCMTSA-N 0 0 239.340 2.029 10 0 BEAERN CCCCCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000225652384 134356627 /nfs/dbraw/zinc/35/66/27/134356627.db2.gz ZWGUOXHWAZENET-NWDGAFQWSA-N 0 0 227.348 2.234 10 0 BEAERN Cc1cnc([C@H](C)NCc2nc(C)ccc2O)o1 ZINC000227555983 134383089 /nfs/dbraw/zinc/38/30/89/134383089.db2.gz JPBUELNEBGDMOO-JTQLQIEISA-N 0 0 247.298 2.243 10 0 BEAERN CCn1cc(CN[C@@H](C)c2ncc(C)o2)cn1 ZINC000227556387 134383521 /nfs/dbraw/zinc/38/35/21/134383521.db2.gz XDESDLRBVKWSDY-JTQLQIEISA-N 0 0 234.303 2.050 10 0 BEAERN CC[C@H](C)N(C)C(=O)N[C@@H](C)C(C)C ZINC000079828283 134392663 /nfs/dbraw/zinc/39/26/63/134392663.db2.gz FUMZWIOXYNJPIS-UWVGGRQHSA-N 0 0 200.326 2.471 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCc1cccc(O)c1 ZINC000230173050 134486126 /nfs/dbraw/zinc/48/61/26/134486126.db2.gz VQNYJIPJSZNPIC-GXFFZTMASA-N 0 0 233.311 2.445 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000187985771 134492074 /nfs/dbraw/zinc/49/20/74/134492074.db2.gz NVBPIXOAZOCSRJ-AAEUAGOBSA-N 0 0 239.359 2.498 10 0 BEAERN Fc1cccc(N[C@@H]2CCO[C@@H]2C2CC2)n1 ZINC000230308587 134495129 /nfs/dbraw/zinc/49/51/29/134495129.db2.gz JBTLMPTZYZHBNW-BXKDBHETSA-N 0 0 222.263 2.200 10 0 BEAERN CCc1cc(C)c(C(=O)NCc2ccccn2)o1 ZINC000131292367 134628521 /nfs/dbraw/zinc/62/85/21/134628521.db2.gz CATBIMKAURHRGX-UHFFFAOYSA-N 0 0 244.294 2.475 10 0 BEAERN CSCCCC(=O)NC[C@H]1CCCS1 ZINC000131731543 134633515 /nfs/dbraw/zinc/63/35/15/134633515.db2.gz ZEQBYNNGSMJJDM-SECBINFHSA-N 0 0 233.402 2.141 10 0 BEAERN CC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000052300376 134700674 /nfs/dbraw/zinc/70/06/74/134700674.db2.gz WFEAGBHKINISIB-PRHODGIISA-N 0 0 232.283 2.419 10 0 BEAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000134269581 134705646 /nfs/dbraw/zinc/70/56/46/134705646.db2.gz GCYWTSRZAKDAEA-CABZTGNLSA-N 0 0 244.294 2.075 10 0 BEAERN CC[C@@H](NC(=O)N(CC)CC)C(C)C ZINC000136189584 134766474 /nfs/dbraw/zinc/76/64/74/134766474.db2.gz SAGAJCYOEXJENP-SNVBAGLBSA-N 0 0 200.326 2.472 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2COc3ccccc32)o1 ZINC000058726579 134788680 /nfs/dbraw/zinc/78/86/80/134788680.db2.gz AKBHTHKYQDNUSG-LLVKDONJSA-N 0 0 243.262 2.452 10 0 BEAERN O=C(NCCc1ccsc1)c1cscn1 ZINC000062663361 134810625 /nfs/dbraw/zinc/81/06/25/134810625.db2.gz YMWTYZQYJFAUDO-UHFFFAOYSA-N 0 0 238.337 2.177 10 0 BEAERN CCc1nnc(CSc2ccc(O)cc2)n1C ZINC000194695428 134832892 /nfs/dbraw/zinc/83/28/92/134832892.db2.gz ZRPUBFNXUBTTHB-UHFFFAOYSA-N 0 0 249.339 2.375 10 0 BEAERN CC[C@@H](Nc1nnc(C)c(C)n1)C(C)C ZINC000164487372 134859021 /nfs/dbraw/zinc/85/90/21/134859021.db2.gz WDYVPYXWHFNBCB-SNVBAGLBSA-N 0 0 208.309 2.335 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)O1 ZINC000246081353 134876482 /nfs/dbraw/zinc/87/64/82/134876482.db2.gz TYAFRRNAFRBZEM-UJPOAAIJSA-N 0 0 239.359 2.495 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N2C[C@H](C)CC[C@@H]2C)O1 ZINC000246133592 134877403 /nfs/dbraw/zinc/87/74/03/134877403.db2.gz ZUFQWXPPXNSGCA-NOOOWODRSA-N 0 0 225.332 2.201 10 0 BEAERN O[C@H](CN1CCC[C@@H]1c1ccco1)C(F)(F)F ZINC000248394168 135001849 /nfs/dbraw/zinc/00/18/49/135001849.db2.gz MYABMIOBLYXTDW-PSASIEDQSA-N 0 0 249.232 2.340 10 0 BEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@H]1C ZINC000249347208 135036824 /nfs/dbraw/zinc/03/68/24/135036824.db2.gz FHXWWJYQTDPFED-MROQNXINSA-N 0 0 239.359 2.449 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC1(C)C ZINC000249627944 135042017 /nfs/dbraw/zinc/04/20/17/135042017.db2.gz QVJIXBIVPORGGK-TUAOUCFPSA-N 0 0 239.359 2.496 10 0 BEAERN CC[C@H](CSC)NC(=O)[C@H]1CCCO[C@H]1C ZINC000249295997 135042779 /nfs/dbraw/zinc/04/27/79/135042779.db2.gz BYFZAHAYTWDADL-AXFHLTTASA-N 0 0 245.388 2.059 10 0 BEAERN CCC(CC)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077206953 135060169 /nfs/dbraw/zinc/06/01/69/135060169.db2.gz ASKCSFRLHGTYKO-RYUDHWBXSA-N 0 0 227.348 2.090 10 0 BEAERN COc1ccc([C@H]2C[C@@H](C)N(C(C)=O)C2)cc1 ZINC000078188394 135109772 /nfs/dbraw/zinc/10/97/72/135109772.db2.gz JOCXEWQVQNZDTD-MFKMUULPSA-N 0 0 233.311 2.420 10 0 BEAERN CC[C@H](C)CC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000253251451 135125671 /nfs/dbraw/zinc/12/56/71/135125671.db2.gz WQGUCBOOPPHFKE-QJPTWQEYSA-N 0 0 227.348 2.232 10 0 BEAERN Cc1nc(NC[C@H]2CCC[C@H]2O)sc1C ZINC000084234175 135194087 /nfs/dbraw/zinc/19/40/87/135194087.db2.gz CZZOXQBHEMEXNK-NXEZZACHSA-N 0 0 226.345 2.333 10 0 BEAERN OC1(C2CC2)CN(Cc2ccc(Cl)cc2)C1 ZINC000084377054 135215103 /nfs/dbraw/zinc/21/51/03/135215103.db2.gz PBAYUDRSXSHWFS-UHFFFAOYSA-N 0 0 237.730 2.297 10 0 BEAERN CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262102919 135278524 /nfs/dbraw/zinc/27/85/24/135278524.db2.gz HPXFFHWBRDNWTC-NTZNESFSSA-N 0 0 225.332 2.219 10 0 BEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1sccc1F ZINC000334276658 135332979 /nfs/dbraw/zinc/33/29/79/135332979.db2.gz CWZZXIKEOQEDQP-OCAPTIKFSA-N 0 0 243.303 2.137 10 0 BEAERN Cc1ccc(C(=O)NC[C@H](O)C(C)(C)C)cc1 ZINC000268652571 135364292 /nfs/dbraw/zinc/36/42/92/135364292.db2.gz DPYQFSYCWFELQK-LBPRGKRZSA-N 0 0 235.327 2.132 10 0 BEAERN CNc1c(Cl)ncnc1N1CC[C@H](C)[C@@H]1C ZINC000275780249 135367516 /nfs/dbraw/zinc/36/75/16/135367516.db2.gz BGYKELDGSQGVDR-YUMQZZPRSA-N 0 0 240.738 2.406 10 0 BEAERN CCOC[C@@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000081469504 135386972 /nfs/dbraw/zinc/38/69/72/135386972.db2.gz ZHTCQFQYIDZRQA-VXGBXAGGSA-N 0 0 242.363 2.099 10 0 BEAERN C[C@@H](CC1CC1)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000081724059 135388778 /nfs/dbraw/zinc/38/87/78/135388778.db2.gz SGHLAPXHVKKPFL-CMPLNLGQSA-N 0 0 247.342 2.065 10 0 BEAERN OCC[C@@H]1CCN(c2nc3ccccc3o2)C1 ZINC000078365961 135393747 /nfs/dbraw/zinc/39/37/47/135393747.db2.gz LGPPUUFSKMJBJE-JTQLQIEISA-N 0 0 232.283 2.037 10 0 BEAERN C[C@H]1C[C@H](O)CN(c2ccc3ccccc3n2)C1 ZINC000335237987 135410727 /nfs/dbraw/zinc/41/07/27/135410727.db2.gz OGGDZPGNAHNOPJ-AAEUAGOBSA-N 0 0 242.322 2.442 10 0 BEAERN CCc1ccccc1C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000335375301 135411278 /nfs/dbraw/zinc/41/12/78/135411278.db2.gz ZEADZHKGRRFDCP-YPMHNXCESA-N 0 0 247.338 2.092 10 0 BEAERN Cc1cccc(C)c1C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000335373270 135411809 /nfs/dbraw/zinc/41/18/09/135411809.db2.gz GMQOHULABHBGGQ-ZWNOBZJWSA-N 0 0 247.338 2.146 10 0 BEAERN CCCC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000343188967 135435727 /nfs/dbraw/zinc/43/57/27/135435727.db2.gz IKGNERSKHRCXPW-JGPRNRPPSA-N 0 0 213.321 2.106 10 0 BEAERN Cn1c(N2C[C@H]3CCC[C@H]32)nnc1C(C)(C)C ZINC000334490665 135445011 /nfs/dbraw/zinc/44/50/11/135445011.db2.gz SFZYJBMYKSYGHZ-NXEZZACHSA-N 0 0 234.347 2.101 10 0 BEAERN O=C(C=C1CCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000087134181 135502653 /nfs/dbraw/zinc/50/26/53/135502653.db2.gz RUJOWMMEUBZASP-STQMWFEESA-N 0 0 235.327 2.267 10 0 BEAERN c1ccc([C@H](NC2COC2)c2ccccn2)cc1 ZINC000094710017 135616907 /nfs/dbraw/zinc/61/69/07/135616907.db2.gz DEDXLMQTYQNYSV-HNNXBMFYSA-N 0 0 240.306 2.159 10 0 BEAERN CC[C@@H](NC(=O)C1CCC(=O)CC1)C(C)C ZINC000344122528 135744674 /nfs/dbraw/zinc/74/46/74/135744674.db2.gz DCKQPOMHMNNZSV-GFCCVEGCSA-N 0 0 225.332 2.297 10 0 BEAERN C[C@@]1(F)CCN(c2cnc3c(n2)CCCC3)C1 ZINC000334934522 135845238 /nfs/dbraw/zinc/84/52/38/135845238.db2.gz QWYWODODOZLHFL-CYBMUJFWSA-N 0 0 235.306 2.294 10 0 BEAERN C[C@H]1CCN(c2cnc3c(n2)CCCC3)C1 ZINC000334968464 135853496 /nfs/dbraw/zinc/85/34/96/135853496.db2.gz PIVYAOWZMKBMOY-JTQLQIEISA-N 0 0 217.316 2.202 10 0 BEAERN CCC(C)(C)C(=O)N1CC[C@@H](O)CC12CCC2 ZINC000335056214 135875354 /nfs/dbraw/zinc/87/53/54/135875354.db2.gz AKWGFMGDNSQYQW-LLVKDONJSA-N 0 0 239.359 2.329 10 0 BEAERN CC1(C)CC[C@@H](n2ncc3c2C[C@@H](O)CC3)C1 ZINC000335301112 136020200 /nfs/dbraw/zinc/02/02/00/136020200.db2.gz VPRKIQZXLLJYJU-NEPJUHHUSA-N 0 0 234.343 2.484 10 0 BEAERN Cn1ncc2c1n([C@@H]1CCC(C)(C)C1)ccc2=O ZINC000335308439 136027621 /nfs/dbraw/zinc/02/76/21/136027621.db2.gz JKXNXCNWXCEYRQ-SNVBAGLBSA-N 0 0 245.326 2.486 10 0 BEAERN CC(C)CCOc1ccc(C(=O)C=O)cc1 ZINC000043465267 166881926 /nfs/dbraw/zinc/88/19/26/166881926.db2.gz VKPQDFOISBWIII-UHFFFAOYSA-N 0 0 220.268 2.493 10 0 BEAERN c1ccc([C@H]2C[C@H]2Nc2cccnn2)cc1 ZINC000052831296 322853462 /nfs/dbraw/zinc/85/34/62/322853462.db2.gz XXCNUQLGEKCPAP-VXGBXAGGSA-N 0 0 211.268 2.445 10 0 BEAERN C[C@@H](NC(=O)N[C@H]1CCC[C@H]1C)[C@@H]1CCCO1 ZINC000407959492 397796432 /nfs/dbraw/zinc/79/64/32/397796432.db2.gz RYGCUOPUFQYIGO-WYUUTHIRSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cc(Cl)ccc1O ZINC000052293461 397742641 /nfs/dbraw/zinc/74/26/41/397742641.db2.gz WOHROQLXBLICLA-HZGVNTEJSA-N 0 0 225.675 2.184 10 0 BEAERN O=C(c1ccccc1)N1CCC[C@@]12CCOC2 ZINC000310114608 397878579 /nfs/dbraw/zinc/87/85/79/397878579.db2.gz GQIVNAPQMMZCIY-AWEZNQCLSA-N 0 0 231.295 2.082 10 0 BEAERN CCOC(=O)C1=CCc2ccc(OC)cc2O1 ZINC000199288543 397936529 /nfs/dbraw/zinc/93/65/29/397936529.db2.gz LRXPTBINZICRHQ-UHFFFAOYSA-N 0 0 234.251 2.077 10 0 BEAERN C[C@H](c1cccnc1)[C@H](O)c1cccnc1 ZINC000196139923 397951664 /nfs/dbraw/zinc/95/16/64/397951664.db2.gz CFAQETAOZPEMMZ-MFKMUULPSA-N 0 0 214.268 2.314 10 0 BEAERN CCCc1cc(NC(=O)CCOC(C)C)n[nH]1 ZINC000110851120 397905247 /nfs/dbraw/zinc/90/52/47/397905247.db2.gz KQGQAIGVCZMXAK-UHFFFAOYSA-N 0 0 239.319 2.116 10 0 BEAERN COC[C@@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000117202349 397924426 /nfs/dbraw/zinc/92/44/26/397924426.db2.gz SVUNZIFTVNSKFX-VXGBXAGGSA-N 0 0 227.348 2.306 10 0 BEAERN Nc1nc2cc(F)cnc2n1Cc1ccccc1 ZINC000306983668 397964555 /nfs/dbraw/zinc/96/45/55/397964555.db2.gz TXOONSNUZKERQE-UHFFFAOYSA-N 0 0 242.257 2.201 10 0 BEAERN COc1cc(C#N)cc(C(F)(F)F)c1CO ZINC000575645330 398044529 /nfs/dbraw/zinc/04/45/29/398044529.db2.gz BLYHZQJGFGBGQF-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN O=C1CCC[C@@H](S[C@H]2CCOC2)C1 ZINC000575595240 398007598 /nfs/dbraw/zinc/00/75/98/398007598.db2.gz YLMHBXKPISQTEI-ZJUUUORDSA-N 0 0 200.303 2.020 10 0 BEAERN Clc1nnc(C2CC2)n1C1CSC1 ZINC000575597359 398014598 /nfs/dbraw/zinc/01/45/98/398014598.db2.gz BFXKUOAKQHQRCD-UHFFFAOYSA-N 0 0 215.709 2.097 10 0 BEAERN C[C@@H]1[C@@H](C)CN1c1ccc(Br)nn1 ZINC000575599442 398019052 /nfs/dbraw/zinc/01/90/52/398019052.db2.gz FZQYXGNCEOIIEH-NKWVEPMBSA-N 0 0 242.120 2.084 10 0 BEAERN Cc1cc(C#N)c(OC(F)F)c(C=O)c1 ZINC000575639950 398038498 /nfs/dbraw/zinc/03/84/98/398038498.db2.gz DKTFTXDBUJIAOR-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN CC(C)C(=O)N[C@H]1CCCSCC1 ZINC000575519007 397975305 /nfs/dbraw/zinc/97/53/05/397975305.db2.gz YDJPOBBFSGERBS-VIFPVBQESA-N 0 0 201.335 2.044 10 0 BEAERN C/C(=C\Cl)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000232008011 397989569 /nfs/dbraw/zinc/98/95/69/397989569.db2.gz AQTNODKZJOGHEL-JSJQHLISSA-N 0 0 231.723 2.314 10 0 BEAERN C[C@H](NC(=O)C[C@H]1CCC[C@H]1C)[C@@H]1CCCO1 ZINC000185888937 398092368 /nfs/dbraw/zinc/09/23/68/398092368.db2.gz CTUDWTKUMDGNLY-XQHKEYJVSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)N1CC[C@H](c2ncc[nH]2)c2ccccc21 ZINC000616588759 398071385 /nfs/dbraw/zinc/07/13/85/398071385.db2.gz NAMMTBZKHYJVJF-LBPRGKRZSA-N 0 0 241.294 2.298 10 0 BEAERN C[C@](O)(Cc1ccccc1)C(=O)C(F)(F)F ZINC000584614088 398077850 /nfs/dbraw/zinc/07/78/50/398077850.db2.gz YHNAJEMEZQIMEO-JTQLQIEISA-N 0 0 232.201 2.112 10 0 BEAERN C[Si](C)(c1ccccc1)n1cccc1 ZINC000584613960 398077860 /nfs/dbraw/zinc/07/78/60/398077860.db2.gz UCVAIDXWHGVINW-UHFFFAOYSA-N 0 0 201.345 2.449 10 0 BEAERN CCNCC1=N[C@@H](c2ccc(C)cc2)N(CC)O1 ZINC000584614111 398077972 /nfs/dbraw/zinc/07/79/72/398077972.db2.gz QAGHFCCIXIMLMU-CQSZACIVSA-N 0 0 247.342 2.269 10 0 BEAERN CC(C)=C[C@@]1(C)O[C@H]1C(=O)OC(C)(C)C ZINC000584658079 398081942 /nfs/dbraw/zinc/08/19/42/398081942.db2.gz LDLAKGBXPMPOFQ-JOYOIKCWSA-N 0 0 212.289 2.452 10 0 BEAERN CON(C)C(=O)c1cccc(SC)c1 ZINC000113534384 398095934 /nfs/dbraw/zinc/09/59/34/398095934.db2.gz OLUVHIOXLODFLH-UHFFFAOYSA-N 0 0 211.286 2.042 10 0 BEAERN CCOC(=O)CNc1cccc(-c2cnco2)c1 ZINC000186417322 398053556 /nfs/dbraw/zinc/05/35/56/398053556.db2.gz OQTLWGIZULGOQJ-UHFFFAOYSA-N 0 0 246.266 2.317 10 0 BEAERN C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H]1C ZINC000246229741 398121257 /nfs/dbraw/zinc/12/12/57/398121257.db2.gz TVNMVFXSTJGKKR-HOTUBEGUSA-N 0 0 237.274 2.118 10 0 BEAERN CC(C)CNc1ccccc1C(N)=S ZINC000020075709 167019149 /nfs/dbraw/zinc/01/91/49/167019149.db2.gz FVJQFWJBMUCPTC-UHFFFAOYSA-N 0 0 208.330 2.389 10 0 BEAERN CC(C)COC(=O)N1CCCC[C@@H]1CCO ZINC000037863451 167021741 /nfs/dbraw/zinc/02/17/41/167021741.db2.gz GAJBLKYYDVECGZ-LLVKDONJSA-N 0 0 229.320 2.016 10 0 BEAERN CC(C)NC(=O)N(C)[C@@H](C)c1cccc(N)c1 ZINC000036743765 167066410 /nfs/dbraw/zinc/06/64/10/167066410.db2.gz FKOGRWZQGQBJCD-JTQLQIEISA-N 0 0 235.331 2.380 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1n[nH]c2c1CCCC2 ZINC000674485985 487586390 /nfs/dbraw/zinc/58/63/90/487586390.db2.gz OOTRUIRFBYSGRO-SKDRFNHKSA-N 0 0 247.342 2.207 10 0 BEAERN CC(=O)Nc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000037690964 487591585 /nfs/dbraw/zinc/59/15/85/487591585.db2.gz CQXQXKVHHNENSQ-ZIAGYGMSSA-N 0 0 248.326 2.360 10 0 BEAERN CC(C)O[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000054036084 167280306 /nfs/dbraw/zinc/28/03/06/167280306.db2.gz KSBSSJIQZOKQMN-QMMMGPOBSA-N 0 0 240.278 2.160 10 0 BEAERN CCN(C)c1noc(-c2cc(C)ccc2O)n1 ZINC000228227933 487599280 /nfs/dbraw/zinc/59/92/80/487599280.db2.gz IJHVHAYRTNUVSR-UHFFFAOYSA-N 0 0 233.271 2.207 10 0 BEAERN CCN(C)c1noc(-c2cc(F)ccc2O)n1 ZINC000228227671 487600130 /nfs/dbraw/zinc/60/01/30/487600130.db2.gz PFSFWHVVZSBHPE-UHFFFAOYSA-N 0 0 237.234 2.037 10 0 BEAERN CC(C)Oc1nc(N(C)CC2CC2)ccc1N ZINC000037925007 167312729 /nfs/dbraw/zinc/31/27/29/167312729.db2.gz CVIJZFIFNZVETD-UHFFFAOYSA-N 0 0 235.331 2.297 10 0 BEAERN CCCc1noc(C[C@@]2(O)CC[C@H](C)C2)n1 ZINC000536955699 487604105 /nfs/dbraw/zinc/60/41/05/487604105.db2.gz QEYPWTOAGKOXPA-JOYOIKCWSA-N 0 0 224.304 2.116 10 0 BEAERN CC(C)S(=O)(=O)Nc1ccc(N)c(Cl)c1 ZINC000037657710 167319536 /nfs/dbraw/zinc/31/95/36/167319536.db2.gz FNQQSCBTSWKYHO-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2cccnn2)CC1 ZINC000616626837 409876392 /nfs/dbraw/zinc/87/63/92/409876392.db2.gz FRXNELSVEUCDIP-LLVKDONJSA-N 0 0 249.314 2.203 10 0 BEAERN O=C1CCOC[C@H]1Cc1ccc(Cl)cc1 ZINC000076673977 410061912 /nfs/dbraw/zinc/06/19/12/410061912.db2.gz TZJXXEPXXKOLMI-SNVBAGLBSA-N 0 0 224.687 2.488 10 0 BEAERN Brc1cc(-c2ccncc2)ncn1 ZINC000044119128 166096399 /nfs/dbraw/zinc/09/63/99/166096399.db2.gz HWPBAZHOBQTNPB-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccc(-c2ccncc2)nn1 ZINC000044118175 166097034 /nfs/dbraw/zinc/09/70/34/166097034.db2.gz FLOZZDHJWYORET-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccc(-c2ncco2)cn1 ZINC000095709605 166097305 /nfs/dbraw/zinc/09/73/05/166097305.db2.gz QXIJRCKWNGERBJ-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN CCCc1nccnc1NCCc1ccccn1 ZINC000663314612 410108287 /nfs/dbraw/zinc/10/82/87/410108287.db2.gz RMBLXBYMZBBCLP-UHFFFAOYSA-N 0 0 242.326 2.479 10 0 BEAERN Brc1ccc(-c2ncco2)nc1 ZINC000095709600 166098268 /nfs/dbraw/zinc/09/82/68/166098268.db2.gz ZKECZMBIMGHSCH-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccc([C@H]2CCOC2)nc1 ZINC000072193043 166099006 /nfs/dbraw/zinc/09/90/06/166099006.db2.gz IHBQGUNAIXNUPG-ZETCQYMHSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1ccc(O[C@H]2CCOC2)nc1 ZINC000072193051 166100305 /nfs/dbraw/zinc/10/03/05/166100305.db2.gz MUUIXVLMQRHUBN-QMMMGPOBSA-N 0 0 244.088 2.012 10 0 BEAERN Brc1cccc(-c2nccnn2)c1 ZINC000082548260 166101533 /nfs/dbraw/zinc/10/15/33/166101533.db2.gz DIRJNXSTTQMWAC-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN CC1CC(C(=O)N[C@H]2CNc3ccccc3C2)C1 ZINC000653208851 410165399 /nfs/dbraw/zinc/16/53/99/410165399.db2.gz TVLBRDSSCPLEJJ-KGPNIALWSA-N 0 0 244.338 2.186 10 0 BEAERN Brc1cccc(-n2ccnc2)n1 ZINC000044117702 166102174 /nfs/dbraw/zinc/10/21/74/166102174.db2.gz WVRRNPCZPYDPPW-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1ccccc1-c1nccnn1 ZINC000082548258 166102524 /nfs/dbraw/zinc/10/25/24/166102524.db2.gz MBFLVULORRIKJI-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccccc1[C@H]1NCCCO1 ZINC000071551261 166102527 /nfs/dbraw/zinc/10/25/27/166102527.db2.gz ZDSXZAHXFVSDEM-JTQLQIEISA-N 0 0 242.116 2.458 10 0 BEAERN Brc1ccnc(-c2cccnc2)n1 ZINC000071546879 166102642 /nfs/dbraw/zinc/10/26/42/166102642.db2.gz YHKQCWWMYMOMFN-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccnnc1Br ZINC000140598564 166102951 /nfs/dbraw/zinc/10/29/51/166102951.db2.gz AQZJVJXVTVCMCZ-UHFFFAOYSA-N 0 0 237.882 2.002 10 0 BEAERN Brc1cnc(NC2CC2)s1 ZINC000077327432 166104941 /nfs/dbraw/zinc/10/49/41/166104941.db2.gz NEQIYAKHFPHCIR-UHFFFAOYSA-N 0 0 219.107 2.480 10 0 BEAERN Brc1cnn(-c2ccoc2)c1 ZINC000072193383 166106417 /nfs/dbraw/zinc/10/64/17/166106417.db2.gz ZAXCYJYMZCHVMO-UHFFFAOYSA-N 0 0 213.034 2.228 10 0 BEAERN Brc1cnccc1[C@@H]1CCO1 ZINC000091691958 166106545 /nfs/dbraw/zinc/10/65/45/166106545.db2.gz VPIZREIUBOZHKD-QMMMGPOBSA-N 0 0 214.062 2.306 10 0 BEAERN Brc1cnncc1-c1ccccn1 ZINC000082331838 166106672 /nfs/dbraw/zinc/10/66/72/166106672.db2.gz PMFHGVHANXKKPG-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1csc([C@H]2CCOC2)n1 ZINC000044122098 166107049 /nfs/dbraw/zinc/10/70/49/166107049.db2.gz ANLOJPXKDMEGFC-YFKPBYRVSA-N 0 0 234.118 2.410 10 0 BEAERN C(=Cc1cccc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000028259573 166226704 /nfs/dbraw/zinc/22/67/04/166226704.db2.gz BLKUFRNNWPAHQX-MDZDMXLPSA-N 0 0 249.277 2.432 10 0 BEAERN CC(=O)c1c[nH]c(C(=O)N[C@H](C)CC2CC2)c1 ZINC000112691032 166438056 /nfs/dbraw/zinc/43/80/56/166438056.db2.gz SPALLBCWGUHXKA-MRVPVSSYSA-N 0 0 234.299 2.136 10 0 BEAERN CC(=O)c1cccc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000052300362 166477247 /nfs/dbraw/zinc/47/72/47/166477247.db2.gz PBELQLGUMZTIKU-PELKAZGASA-N 0 0 232.283 2.419 10 0 BEAERN CC(=O)c1cn(-c2ccccc2)c(=O)cc1C ZINC000090759368 166484417 /nfs/dbraw/zinc/48/44/17/166484417.db2.gz JUUQQUFXZWUNRN-UHFFFAOYSA-N 0 0 227.263 2.349 10 0 BEAERN CC(C)(C)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000019395196 166533755 /nfs/dbraw/zinc/53/37/55/166533755.db2.gz ISDDBFDDZBFPIT-LLVKDONJSA-N 0 0 232.327 2.186 10 0 BEAERN CC(C)(C)Oc1ccc(C[NH2+]CC(=O)[O-])cc1 ZINC000107291043 166686587 /nfs/dbraw/zinc/68/65/87/166686587.db2.gz RDWJNAHVVTXGPC-UHFFFAOYSA-N 0 0 237.299 2.038 10 0 BEAERN CC(C)CCNC(=O)c1cc(F)ccc1N ZINC000036882844 166856143 /nfs/dbraw/zinc/85/61/43/166856143.db2.gz SHCPEJDSDUKGMM-UHFFFAOYSA-N 0 0 224.279 2.184 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000126712749 166903161 /nfs/dbraw/zinc/90/31/61/166903161.db2.gz IPPZMBHGQVWNHE-TUAOUCFPSA-N 0 0 227.348 2.495 10 0 BEAERN CC(C)CNC(=O)CNc1ccc2c(c1)CCC2 ZINC000020048597 166984994 /nfs/dbraw/zinc/98/49/94/166984994.db2.gz UWLGCZFASKYWEY-UHFFFAOYSA-N 0 0 246.354 2.359 10 0 BEAERN CC(C)CNc1cc2c(cc1N)CCC(=O)N2 ZINC000035355777 167016908 /nfs/dbraw/zinc/01/69/08/167016908.db2.gz YJYIREWEZAHKBG-UHFFFAOYSA-N 0 0 233.315 2.221 10 0 BEAERN CC(C)[N@@H+]1Cc2cc(F)ccc2C[C@H]1C(=O)[O-] ZINC000016082862 167034678 /nfs/dbraw/zinc/03/46/78/167034678.db2.gz HUPVFYQYSOOCLF-LBPRGKRZSA-N 0 0 237.274 2.045 10 0 BEAERN CC(C)NC(=O)[C@H](C)Sc1ccc(N)cc1 ZINC000037182360 167083712 /nfs/dbraw/zinc/08/37/12/167083712.db2.gz BSARLSRPMNNQSD-VIFPVBQESA-N 0 0 238.356 2.274 10 0 BEAERN CC(C)NC(=O)c1cccc2ncccc21 ZINC000014231414 167089433 /nfs/dbraw/zinc/08/94/33/167089433.db2.gz DVLDBBMAUFVILE-UHFFFAOYSA-N 0 0 214.268 2.373 10 0 BEAERN CC(C)[NH2+][C@@H](CCOC1CCCCC1)C(=O)[O-] ZINC000062545970 167131916 /nfs/dbraw/zinc/13/19/16/167131916.db2.gz JHKVWYXGBFLVAT-LBPRGKRZSA-N 0 0 243.347 2.177 10 0 BEAERN CC(C)[NH2+][C@H](CC1CCCCC1)C(=O)[O-] ZINC000077305867 167138500 /nfs/dbraw/zinc/13/85/00/167138500.db2.gz JMIBSRSIPOELQH-LLVKDONJSA-N 0 0 213.321 2.408 10 0 BEAERN CC(C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000013208938 167149603 /nfs/dbraw/zinc/14/96/03/167149603.db2.gz JHPAAKJWRIMHEA-UHFFFAOYSA-N 0 0 202.261 2.088 10 0 BEAERN CC(C)OC(=O)N(C)c1cccc(N)c1 ZINC000044238858 167162033 /nfs/dbraw/zinc/16/20/33/167162033.db2.gz KPANRMLNGPFBFG-UHFFFAOYSA-N 0 0 208.261 2.250 10 0 BEAERN CC(C)OC(=O)c1cccnc1N[C@H]1C[C@H]1C ZINC000302218580 167174852 /nfs/dbraw/zinc/17/48/52/167174852.db2.gz LCCIUSNHRRXQDV-KOLCDFICSA-N 0 0 234.299 2.467 10 0 BEAERN CC(C)OCCOc1cccc2c1CC[C@H]2O ZINC000062800715 167247990 /nfs/dbraw/zinc/24/79/90/167247990.db2.gz BAPYAVVOELYLAF-CYBMUJFWSA-N 0 0 236.311 2.470 10 0 BEAERN CC(C)OCCOc1c(F)cc(N)cc1F ZINC000038040313 167249391 /nfs/dbraw/zinc/24/93/91/167249391.db2.gz GLIXEVLTRSALBH-UHFFFAOYSA-N 0 0 231.242 2.351 10 0 BEAERN CC(C)O[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000054036104 167280693 /nfs/dbraw/zinc/28/06/93/167280693.db2.gz USSANGGUUZYUOT-QMMMGPOBSA-N 0 0 240.278 2.160 10 0 BEAERN CC(C)O[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000054036081 167282929 /nfs/dbraw/zinc/28/29/29/167282929.db2.gz IMVMVRCJAKQVIZ-SECBINFHSA-N 0 0 222.288 2.021 10 0 BEAERN CC(C)Oc1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000036168286 167288788 /nfs/dbraw/zinc/28/87/88/167288788.db2.gz NSBDJNWGNNTMHL-UHFFFAOYSA-N 0 0 230.267 2.224 10 0 BEAERN CC(C)Oc1ccc([C@H]2CNC(=O)O2)cc1 ZINC000075456326 167300627 /nfs/dbraw/zinc/30/06/27/167300627.db2.gz JESPPQAJKROGKH-LLVKDONJSA-N 0 0 221.256 2.255 10 0 BEAERN CC(C)Oc1cncc(Br)n1 ZINC000044119873 167312623 /nfs/dbraw/zinc/31/26/23/167312623.db2.gz TXVHLJOAAHZFDV-UHFFFAOYSA-N 0 0 217.066 2.026 10 0 BEAERN CC(C)Oc1nc(N2CCCC2)ccc1N ZINC000037066255 167313117 /nfs/dbraw/zinc/31/31/17/167313117.db2.gz HMBNGIQWNOEJGZ-UHFFFAOYSA-N 0 0 221.304 2.051 10 0 BEAERN CC(C)Sc1cc2c(cc1N)CC(=O)N2 ZINC000037685009 167336139 /nfs/dbraw/zinc/33/61/39/167336139.db2.gz MLBGACJHYPZXLL-UHFFFAOYSA-N 0 0 222.313 2.264 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1F ZINC000033468503 167344898 /nfs/dbraw/zinc/34/48/98/167344898.db2.gz QXPNTSZLQAFNMV-LBPRGKRZSA-N 0 0 239.290 2.367 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000107727272 167374297 /nfs/dbraw/zinc/37/42/97/167374297.db2.gz JGMUEEPNFFRIKY-VXGBXAGGSA-N 0 0 242.363 2.099 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1cccnc1 ZINC000109354776 167374368 /nfs/dbraw/zinc/37/43/68/167374368.db2.gz OSEDZYJTGYPFNO-LLVKDONJSA-N 0 0 235.331 2.268 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000336464206 167374559 /nfs/dbraw/zinc/37/45/59/167374559.db2.gz ZSKJUESNUFABDF-MNOVXSKESA-N 0 0 242.363 2.240 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000112858826 167376293 /nfs/dbraw/zinc/37/62/93/167376293.db2.gz RZYJGZLDIZECSD-TZMCWYRMSA-N 0 0 248.370 2.450 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCS1 ZINC000306818803 167376465 /nfs/dbraw/zinc/37/64/65/167376465.db2.gz FTXYHRHBBRKTSG-BDAKNGLRSA-N 0 0 201.335 2.043 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@@H]1CC=CCC1 ZINC000077541389 167377055 /nfs/dbraw/zinc/37/70/55/167377055.db2.gz JGFLAFPQASSILM-GHMZBOCLSA-N 0 0 210.321 2.439 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1ccc(N)cc1F ZINC000043570700 167378980 /nfs/dbraw/zinc/37/89/80/167378980.db2.gz ZYNSDDFSWZWDAV-MRVPVSSYSA-N 0 0 224.279 2.182 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000048411753 167379172 /nfs/dbraw/zinc/37/91/72/167379172.db2.gz DYILTEFAFRBMAB-SSDOTTSWSA-N 0 0 214.696 2.442 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(N)c2nonc21 ZINC000035675464 167385977 /nfs/dbraw/zinc/38/59/77/167385977.db2.gz GNJSVCQPDHCEQH-SSDOTTSWSA-N 0 0 220.276 2.261 10 0 BEAERN CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)[O-] ZINC000125698466 167468946 /nfs/dbraw/zinc/46/89/46/167468946.db2.gz HANXBTUHYJJZBE-GARJFASQSA-N 0 0 213.321 2.264 10 0 BEAERN O=C1[C@@H]2CCCC2=NN1C1CCCCC1 ZINC000104707505 410947536 /nfs/dbraw/zinc/94/75/36/410947536.db2.gz XODGXTAHGQDFHD-SNVBAGLBSA-N 0 0 206.289 2.317 10 0 BEAERN CC(C)[S@@](=O)c1nc2ccc(N)cc2s1 ZINC000042194904 167546881 /nfs/dbraw/zinc/54/68/81/167546881.db2.gz PYJHAICBOJRLBN-HNNXBMFYSA-N 0 0 240.353 2.395 10 0 BEAERN CC(C)c1ccccc1N[C@H](C)CC(N)=O ZINC000041234276 167640873 /nfs/dbraw/zinc/64/08/73/167640873.db2.gz CBSFDTRIXHWIFO-SNVBAGLBSA-N 0 0 220.316 2.486 10 0 BEAERN CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044860437 411141272 /nfs/dbraw/zinc/14/12/72/411141272.db2.gz ZVDFEOVJAOCCMX-JGVFFNPUSA-N 0 0 209.211 2.244 10 0 BEAERN Cc1nc2ccccc2nc1N1CCCCN1 ZINC000400287914 411153536 /nfs/dbraw/zinc/15/35/36/411153536.db2.gz JAQGXZCRQKEVKG-UHFFFAOYSA-N 0 0 228.299 2.043 10 0 BEAERN CC(C)(C)OC(=O)NC1(C(C)(C)O)CCC1 ZINC000206111236 411177613 /nfs/dbraw/zinc/17/76/13/411177613.db2.gz YIWZXBUCQCLKAI-UHFFFAOYSA-N 0 0 229.320 2.205 10 0 BEAERN Cn1ccc(NCc2nc(C3CCCC3)no2)n1 ZINC000123691084 411182521 /nfs/dbraw/zinc/18/25/21/411182521.db2.gz SNQFRARJLMHINB-UHFFFAOYSA-N 0 0 247.302 2.073 10 0 BEAERN CC(C)CCN(C)C(=O)Nc1nncs1 ZINC000048768291 411216490 /nfs/dbraw/zinc/21/64/90/411216490.db2.gz JQUHQPABCOELMD-UHFFFAOYSA-N 0 0 228.321 2.048 10 0 BEAERN CC(C)[C@H](C)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000048859261 411217667 /nfs/dbraw/zinc/21/76/67/411217667.db2.gz AMDIHZDMUKZKBJ-JTQLQIEISA-N 0 0 249.310 2.119 10 0 BEAERN CCc1cc(NC(=O)C2CCCC2)n[nH]1 ZINC000049138896 411226786 /nfs/dbraw/zinc/22/67/86/411226786.db2.gz UNFPIQSDKCNSGA-UHFFFAOYSA-N 0 0 207.277 2.101 10 0 BEAERN Clc1ccc2c(c1)NC[C@]21CCOC1 ZINC000536959067 411265864 /nfs/dbraw/zinc/26/58/64/411265864.db2.gz OFPLDKXGMAPDPC-NSHDSACASA-N 0 0 209.676 2.424 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nc(OC)cc(OC)n1 ZINC000300593717 411331891 /nfs/dbraw/zinc/33/18/91/411331891.db2.gz ZCGFOBCRLBBFEN-BDAKNGLRSA-N 0 0 237.303 2.094 10 0 BEAERN Cc1cnc([C@H](C)NCCO[C@@H]2CC2(F)F)o1 ZINC000656684008 411326428 /nfs/dbraw/zinc/32/64/28/411326428.db2.gz RRXDMMDQBHNDRO-DTWKUNHWSA-N 0 0 246.257 2.058 10 0 BEAERN CC1(C)[C@H](Nc2ccccn2)[C@@H]2CCO[C@H]21 ZINC000301382566 168006648 /nfs/dbraw/zinc/00/66/48/168006648.db2.gz ZISIKFNTFAFALA-MVWJERBFSA-N 0 0 218.300 2.307 10 0 BEAERN CC(C)(CC1(C)CCC(O)CC1)OC(N)=O ZINC000095082666 168017637 /nfs/dbraw/zinc/01/76/37/168017637.db2.gz FYRKBAXEGUSMMX-UHFFFAOYSA-N 0 0 229.320 2.192 10 0 BEAERN CC1(CNC(=O)NC[C@@H]2CCCS2)CCC1 ZINC000122923053 168032665 /nfs/dbraw/zinc/03/26/65/168032665.db2.gz HBGBNWWWXLYOKW-JTQLQIEISA-N 0 0 242.388 2.371 10 0 BEAERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C)(O)C2 ZINC000049587211 168071654 /nfs/dbraw/zinc/07/16/54/168071654.db2.gz SLERKVCWNKEZEG-HWYHXSKPSA-N 0 0 241.331 2.299 10 0 BEAERN CC1(S(=O)(=O)c2cc3ccccc3[nH]2)CC1 ZINC000097757749 168071934 /nfs/dbraw/zinc/07/19/34/168071934.db2.gz QAOKVJBWAWXHPI-UHFFFAOYSA-N 0 0 235.308 2.494 10 0 BEAERN CC1=C(C(=O)N2C[C@@H]3CCC[C@H]32)CCC1 ZINC000336317906 168076876 /nfs/dbraw/zinc/07/68/76/168076876.db2.gz PGECLXGTFWGBLZ-CMPLNLGQSA-N 0 0 205.301 2.498 10 0 BEAERN CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000336680799 168103687 /nfs/dbraw/zinc/10/36/87/168103687.db2.gz RHCKUNMQKMGBRV-SDDRHHMPSA-N 0 0 225.332 2.432 10 0 BEAERN Cc1cc(=O)n(-c2ccc(Cl)cc2N)[nH]1 ZINC000037653954 168134014 /nfs/dbraw/zinc/13/40/14/168134014.db2.gz ONRFZYGZRVZOFQ-UHFFFAOYSA-N 0 0 223.663 2.035 10 0 BEAERN Cc1[nH][nH]c(=O)c1Cc1ccccc1Cl ZINC000100127850 168136528 /nfs/dbraw/zinc/13/65/28/168136528.db2.gz PRACZXXYLKXEMO-VIFPVBQESA-N 0 0 222.675 2.004 10 0 BEAERN C[C@H](C[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000042487884 168157777 /nfs/dbraw/zinc/15/77/77/168157777.db2.gz OYKJLDZIYBJWGI-HSOILSAZSA-N 0 0 213.321 2.218 10 0 BEAERN CC1CCC(N(C)Cc2nnsc2N)CC1 ZINC000050817563 168159671 /nfs/dbraw/zinc/15/96/71/168159671.db2.gz SOSSXIFVVMNWDB-UHFFFAOYSA-N 0 0 240.376 2.131 10 0 BEAERN CC1CC[NH+](C2(C(=O)[O-])CCCC2)CC1 ZINC000041840502 168178325 /nfs/dbraw/zinc/17/83/25/168178325.db2.gz JGUMJVQTIIZQFC-UHFFFAOYSA-N 0 0 211.305 2.116 10 0 BEAERN CCC(=O)N(Cc1ccccc1N)C(C)C ZINC000035365665 168213726 /nfs/dbraw/zinc/21/37/26/168213726.db2.gz AYEMIXDICGVNIE-UHFFFAOYSA-N 0 0 220.316 2.416 10 0 BEAERN CCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173461536 168217887 /nfs/dbraw/zinc/21/78/87/168217887.db2.gz RMFCGCUEISGBEW-SECBINFHSA-N 0 0 237.303 2.267 10 0 BEAERN CCC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000105851267 168218012 /nfs/dbraw/zinc/21/80/12/168218012.db2.gz ZVICIUSWNGQNAR-NSHDSACASA-N 0 0 235.331 2.019 10 0 BEAERN CCC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000041423764 168227236 /nfs/dbraw/zinc/22/72/36/168227236.db2.gz WCVHUPSRFFXLDA-WCQYABFASA-N 0 0 233.311 2.385 10 0 BEAERN CCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000006263697 168238903 /nfs/dbraw/zinc/23/89/03/168238903.db2.gz GAQVMWPKRCPWTH-SECBINFHSA-N 0 0 237.299 2.291 10 0 BEAERN CCC(=O)c1ccc(OCc2ncon2)cc1 ZINC000020253811 168257802 /nfs/dbraw/zinc/25/78/02/168257802.db2.gz MINWQZLDHBVHQI-UHFFFAOYSA-N 0 0 232.239 2.241 10 0 BEAERN CCC(=O)c1cnc(Br)s1 ZINC000096300076 168258500 /nfs/dbraw/zinc/25/85/00/168258500.db2.gz JJHJKPZSLFWWKN-UHFFFAOYSA-N 0 0 220.091 2.498 10 0 BEAERN CCC(C)(C)C(=O)N1CCCC[C@H](CO)C1 ZINC000378204766 168261829 /nfs/dbraw/zinc/26/18/29/168261829.db2.gz MCBVHLQEYAHVLY-NSHDSACASA-N 0 0 227.348 2.044 10 0 BEAERN CCC(C)(C)NC(=O)NCc1cscn1 ZINC000119441068 168292693 /nfs/dbraw/zinc/29/26/93/168292693.db2.gz HQZZHVQFWNGYCK-UHFFFAOYSA-N 0 0 227.333 2.131 10 0 BEAERN CCC(C)(C)NC(=O)[C@@H](C)NCc1ccco1 ZINC000034938489 168294391 /nfs/dbraw/zinc/29/43/91/168294391.db2.gz ABCZGMOSHLVSFR-SNVBAGLBSA-N 0 0 238.331 2.063 10 0 BEAERN CCC(C)(C)NC(=O)[C@@H]1CNc2ccccc2O1 ZINC000019475415 168295063 /nfs/dbraw/zinc/29/50/63/168295063.db2.gz KYJGPVMBFPIUIK-LBPRGKRZSA-N 0 0 248.326 2.164 10 0 BEAERN CCC(C)(C)Oc1ccc(N)c(OC)n1 ZINC000037077463 168303813 /nfs/dbraw/zinc/30/38/13/168303813.db2.gz FXHDPCSGTLFFPG-UHFFFAOYSA-N 0 0 210.277 2.240 10 0 BEAERN CCC(C)(C)[C@@H](O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000054404065 168304369 /nfs/dbraw/zinc/30/43/69/168304369.db2.gz JEHLZLQXCGWKKK-NSHDSACASA-N 0 0 234.299 2.326 10 0 BEAERN COC(=O)Cc1c(O)cccc1C(F)(F)F ZINC000260365182 411404902 /nfs/dbraw/zinc/40/49/02/411404902.db2.gz MPGFSAJCKNJJMN-UHFFFAOYSA-N 0 0 234.173 2.127 10 0 BEAERN CCN1CCO[C@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616648121 411411902 /nfs/dbraw/zinc/41/19/02/411411902.db2.gz QMMVYIPRMDTUPD-AWEZNQCLSA-N 0 0 248.326 2.038 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@@H]2CCCO2)n1 ZINC000122358291 411430703 /nfs/dbraw/zinc/43/07/03/411430703.db2.gz MNMXYSLQDAPKQK-NSHDSACASA-N 0 0 235.331 2.499 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000122482432 411433230 /nfs/dbraw/zinc/43/32/30/411433230.db2.gz PSVMXLALIIYUJS-AAEUAGOBSA-N 0 0 249.358 2.481 10 0 BEAERN Cc1cc(C(C)C)nc(N2CCC(C)(O)CC2)n1 ZINC000122634165 411435101 /nfs/dbraw/zinc/43/51/01/411435101.db2.gz NEESTZRWPCQPLD-UHFFFAOYSA-N 0 0 249.358 2.260 10 0 BEAERN Cc1cc(C(C)C)nc(N2CCC(CO)CC2)n1 ZINC000122624631 411435128 /nfs/dbraw/zinc/43/51/28/411435128.db2.gz KMYVXXDWLFHPAP-UHFFFAOYSA-N 0 0 249.358 2.117 10 0 BEAERN Cc1ccc([C@H](C)NCc2cnc(C)n2C)o1 ZINC000657293300 411450349 /nfs/dbraw/zinc/45/03/49/411450349.db2.gz ZIOWFRHCFKIKHB-JTQLQIEISA-N 0 0 233.315 2.481 10 0 BEAERN CCN1C(=O)CCCN(c2ccccc2)C1=O ZINC000037606675 169946361 /nfs/dbraw/zinc/94/63/61/169946361.db2.gz LJNUQFAFENCDOD-UHFFFAOYSA-N 0 0 232.283 2.255 10 0 BEAERN CCN1CCCN=C1c1nc2ccccc2o1 ZINC000039102852 169965243 /nfs/dbraw/zinc/96/52/43/169965243.db2.gz NFTPJIGPWNSHSF-UHFFFAOYSA-N 0 0 229.283 2.300 10 0 BEAERN CCN1N=C(C)CC(c2c(C)c[nH]c2C)=N1 ZINC000045806303 170040921 /nfs/dbraw/zinc/04/09/21/170040921.db2.gz FYOOJUGOUOGDKM-UHFFFAOYSA-N 0 0 218.304 2.437 10 0 BEAERN CCNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000049822886 170048220 /nfs/dbraw/zinc/04/82/20/170048220.db2.gz RNJMVAFZFFHUOP-UHFFFAOYSA-N 0 0 233.311 2.402 10 0 BEAERN CCNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000049830406 170048382 /nfs/dbraw/zinc/04/83/82/170048382.db2.gz CWLWZHJHICCNCD-UHFFFAOYSA-N 0 0 241.237 2.064 10 0 BEAERN CCNC(=O)CCCC(=O)c1ccc(C)cc1 ZINC000049822899 170049533 /nfs/dbraw/zinc/04/95/33/170049533.db2.gz GVOXLJJIXHMEDN-UHFFFAOYSA-N 0 0 233.311 2.484 10 0 BEAERN CCNC(=O)CCn1c(C)cc2ccccc21 ZINC000104301556 170054329 /nfs/dbraw/zinc/05/43/29/170054329.db2.gz VGBJBCCXRHKKLI-UHFFFAOYSA-N 0 0 230.311 2.476 10 0 BEAERN CCNC(=O)CSc1c(N)cccc1Cl ZINC000037204317 170069469 /nfs/dbraw/zinc/06/94/69/170069469.db2.gz ZKDYGIXIWZCYGB-UHFFFAOYSA-N 0 0 244.747 2.150 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1 ZINC000020307657 170089237 /nfs/dbraw/zinc/08/92/37/170089237.db2.gz NRFFMZIDRBZYBM-MRVPVSSYSA-N 0 0 226.707 2.277 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(F)c(C)c1 ZINC000061097014 170096807 /nfs/dbraw/zinc/09/68/07/170096807.db2.gz VXNONRBUBWEZEZ-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)c1c(N)scc1C(C)(C)C ZINC000104278013 170100096 /nfs/dbraw/zinc/10/00/96/170100096.db2.gz UHRKIQYQDBTJJS-UHFFFAOYSA-N 0 0 226.345 2.378 10 0 BEAERN CCNC(=O)c1cc(N[C@@H](C)C(C)C)ccn1 ZINC000035674071 170100738 /nfs/dbraw/zinc/10/07/38/170100738.db2.gz MHPHXCAGFIZGPT-JTQLQIEISA-N 0 0 235.331 2.288 10 0 BEAERN CCNC(=O)c1cc(NCC)c2ccccc2n1 ZINC000103921536 170101224 /nfs/dbraw/zinc/10/12/24/170101224.db2.gz OPEQMAAULNYYHO-UHFFFAOYSA-N 0 0 243.310 2.416 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000037181948 170138152 /nfs/dbraw/zinc/13/81/52/170138152.db2.gz FKTNMLQJFYPJGN-SECBINFHSA-N 0 0 231.654 2.214 10 0 BEAERN CC[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000037181848 170156497 /nfs/dbraw/zinc/15/64/97/170156497.db2.gz OOQIEEJLBSLLTN-VIFPVBQESA-N 0 0 213.664 2.075 10 0 BEAERN CCN[C@@](C)(C(=O)OCC)c1cccc(F)c1 ZINC000037447252 170155087 /nfs/dbraw/zinc/15/50/87/170155087.db2.gz SBOSMKRMOREZFB-CYBMUJFWSA-N 0 0 239.290 2.214 10 0 BEAERN CC[NH2+][C@@](C)(CO)c1ccccc1Cl ZINC000038120150 170155228 /nfs/dbraw/zinc/15/52/28/170155228.db2.gz HJWZWCGVBWNIJD-NSHDSACASA-N 0 0 213.708 2.157 10 0 BEAERN CCN[C@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000037869693 170156507 /nfs/dbraw/zinc/15/65/07/170156507.db2.gz PJKKPXUDUHIVHV-VIFPVBQESA-N 0 0 247.125 2.129 10 0 BEAERN CC[NH2+][C@H](CCO[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000062542517 170162186 /nfs/dbraw/zinc/16/21/86/170162186.db2.gz KUWBOKGWPRAVAJ-SDDRHHMPSA-N 0 0 243.347 2.035 10 0 BEAERN CC[NH2+][C@H]1c2cccc(OC)c2O[C@H]1C ZINC000043633337 170169488 /nfs/dbraw/zinc/16/94/88/170169488.db2.gz ILSHZDCFJHPWAH-GZMMTYOYSA-N 0 0 207.273 2.127 10 0 BEAERN CCN[C@]1(C(=O)OC)C[C@@H](C)CC(C)(C)C1 ZINC000037446814 170170216 /nfs/dbraw/zinc/17/02/16/170170216.db2.gz XKYGWQYMCXBNBN-GXFFZTMASA-N 0 0 227.348 2.354 10 0 BEAERN CCN[C@](C)(Cl)C(=O)c1ccccc1 ZINC000039055570 170170361 /nfs/dbraw/zinc/17/03/61/170170361.db2.gz WHPCKEBJVPJZAB-NSHDSACASA-N 0 0 211.692 2.434 10 0 BEAERN CCNc1c(C)cnc2c(C)c(C)nn21 ZINC000201092639 170170669 /nfs/dbraw/zinc/17/06/69/170170669.db2.gz CCHWAWCXLFVXBS-UHFFFAOYSA-N 0 0 204.277 2.086 10 0 BEAERN CCNc1cc(C(=O)NCc2ccco2)ccn1 ZINC000050725092 170171490 /nfs/dbraw/zinc/17/14/90/170171490.db2.gz XZNZWGSEYKRANG-UHFFFAOYSA-N 0 0 245.282 2.036 10 0 BEAERN CCNc1cc(NS(C)(=O)=O)ccc1Cl ZINC000037029681 170172835 /nfs/dbraw/zinc/17/28/35/170172835.db2.gz YKPOQMDZABXEMA-UHFFFAOYSA-N 0 0 248.735 2.143 10 0 BEAERN CCNc1ccc(C(=O)NC2CCC2)cc1 ZINC000052215323 170173896 /nfs/dbraw/zinc/17/38/96/170173896.db2.gz CBZCUUSZBWSACJ-UHFFFAOYSA-N 0 0 218.300 2.401 10 0 BEAERN CCNc1ccc(Cn2cc(Cl)cn2)cn1 ZINC000050829764 170174253 /nfs/dbraw/zinc/17/42/53/170174253.db2.gz PGPCPVFKIBNBIK-UHFFFAOYSA-N 0 0 236.706 2.412 10 0 BEAERN CCNc1ccc(Cn2cccn2)cc1 ZINC000037772759 170174391 /nfs/dbraw/zinc/17/43/91/170174391.db2.gz HCKOWOVHQHVIDN-UHFFFAOYSA-N 0 0 201.273 2.363 10 0 BEAERN CCNc1ccc(Cl)cc1C(N)=S ZINC000052857276 170174570 /nfs/dbraw/zinc/17/45/70/170174570.db2.gz KDNRIOPXHBUQQE-UHFFFAOYSA-N 0 0 214.721 2.406 10 0 BEAERN CCNc1ccnc(C(=O)NC(C)(C)C)c1 ZINC000050724735 170175372 /nfs/dbraw/zinc/17/53/72/170175372.db2.gz QKDJYECKOAOYDM-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCNc1nc(Cc2cccc(F)c2)no1 ZINC000053750246 170175987 /nfs/dbraw/zinc/17/59/87/170175987.db2.gz VDAJOUZFMYZQHA-UHFFFAOYSA-N 0 0 221.235 2.231 10 0 BEAERN CCNc1nc(Cc2cccc(C)c2)no1 ZINC000053750270 170176206 /nfs/dbraw/zinc/17/62/06/170176206.db2.gz MZZORHGTZSSONL-UHFFFAOYSA-N 0 0 217.272 2.401 10 0 BEAERN CCNc1nc([C@@H]2CCOC2)nc(C)c1C ZINC000051691665 170176593 /nfs/dbraw/zinc/17/65/93/170176593.db2.gz QIXALZIFKVPSEG-SNVBAGLBSA-N 0 0 221.304 2.029 10 0 BEAERN CCNc1nc(Cl)nc(N[C@H](C)C(C)C)n1 ZINC000087801355 170177161 /nfs/dbraw/zinc/17/71/61/170177161.db2.gz KUSIBZBALUOJHM-SSDOTTSWSA-N 0 0 243.742 2.413 10 0 BEAERN CCNc1nc(Cl)nc(NC2CCCC2)n1 ZINC000038636516 170177372 /nfs/dbraw/zinc/17/73/72/170177372.db2.gz UFJQDXKKUXQRHW-UHFFFAOYSA-N 0 0 241.726 2.311 10 0 BEAERN CCNc1ncccc1Cn1ccc(C)cc1=O ZINC000061909720 170177874 /nfs/dbraw/zinc/17/78/74/170177874.db2.gz HCIJYXUPXUWCFO-UHFFFAOYSA-N 0 0 243.310 2.032 10 0 BEAERN CCNc1ncccc1C(=O)N(CC)C(C)C ZINC000050747553 170178221 /nfs/dbraw/zinc/17/82/21/170178221.db2.gz HBQRBQAEQGUHNX-UHFFFAOYSA-N 0 0 235.331 2.384 10 0 BEAERN CCNc1ncccc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000104152066 170178223 /nfs/dbraw/zinc/17/82/23/170178223.db2.gz LGUBPEYSGALGGE-CMPLNLGQSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1snnc1CN1CCCC[C@H]1C ZINC000050792281 170179387 /nfs/dbraw/zinc/17/93/87/170179387.db2.gz SYWVRSOXKCSEPW-SECBINFHSA-N 0 0 240.376 2.344 10 0 BEAERN CCOC(=N)[C@@H](O)c1cc(C)ccc1OC ZINC000039135020 170179948 /nfs/dbraw/zinc/17/99/48/170179948.db2.gz LPPPPTYVIRKQGT-NSHDSACASA-N 0 0 223.272 2.051 10 0 BEAERN CCOC(=N)[C@H](O)c1cc(C)ccc1OC ZINC000039135019 170180374 /nfs/dbraw/zinc/18/03/74/170180374.db2.gz LPPPPTYVIRKQGT-LLVKDONJSA-N 0 0 223.272 2.051 10 0 BEAERN CCOC(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000005952701 170183123 /nfs/dbraw/zinc/18/31/23/170183123.db2.gz RQBYYNVAWUAYFS-CMDGGOBGSA-N 0 0 242.278 2.449 10 0 BEAERN CCOC(=O)C(=O)c1coc2ccccc12 ZINC000087493553 170184638 /nfs/dbraw/zinc/18/46/38/170184638.db2.gz WHUYLQWBMYFFLT-UHFFFAOYSA-N 0 0 218.208 2.179 10 0 BEAERN CCOC(=O)C(C)(C)NCc1ccccc1 ZINC000037952666 170186939 /nfs/dbraw/zinc/18/69/39/170186939.db2.gz IZJWTDWEIYLCOO-UHFFFAOYSA-N 0 0 221.300 2.118 10 0 BEAERN CCOC(=O)C(C)(C)Nc1cccc(OC)c1 ZINC000037961322 170188019 /nfs/dbraw/zinc/18/80/19/170188019.db2.gz KOJRLJYFIPOODO-UHFFFAOYSA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)C(F)(F)Cc1ccccc1OC ZINC000096032609 170188269 /nfs/dbraw/zinc/18/82/69/170188269.db2.gz SZSLZPROGFWUTC-UHFFFAOYSA-N 0 0 244.237 2.436 10 0 BEAERN CCOC(=O)C1(C(=O)OCC)CCC(C)CC1 ZINC000086543631 170189986 /nfs/dbraw/zinc/18/99/86/170189986.db2.gz FNKORLJHALWWCQ-UHFFFAOYSA-N 0 0 242.315 2.309 10 0 BEAERN CCOC(=O)C[C@@H]1Cc2ccc(O)cc2C1 ZINC000091297238 170231629 /nfs/dbraw/zinc/23/16/29/170231629.db2.gz NXAHYDZYTLMBQZ-SECBINFHSA-N 0 0 220.268 2.060 10 0 BEAERN CCOC(=O)C[C@H]1CCCc2cc(N)cnc21 ZINC000098209947 170234250 /nfs/dbraw/zinc/23/42/50/170234250.db2.gz GOUGDRGUIKLTRE-SNVBAGLBSA-N 0 0 234.299 2.037 10 0 BEAERN CCOC(=O)Cc1ncccc1C1CC1 ZINC000091369019 170236828 /nfs/dbraw/zinc/23/68/28/170236828.db2.gz MMZLXGADJNNRDJ-UHFFFAOYSA-N 0 0 205.257 2.065 10 0 BEAERN CCOC(=O)Cc1ncc(C)cc1Cl ZINC000095763970 170237021 /nfs/dbraw/zinc/23/70/21/170237021.db2.gz QLUJYEMUNZRIEO-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1sc(Cl)nc1C ZINC000039348373 170237216 /nfs/dbraw/zinc/23/72/16/170237216.db2.gz IJOAPNOGRYXEDJ-UHFFFAOYSA-N 0 0 219.693 2.211 10 0 BEAERN CCOC(=O)N1CCCCC[C@H]1OCC ZINC000039100170 170239347 /nfs/dbraw/zinc/23/93/47/170239347.db2.gz ICYFWSHLUBNHJG-SNVBAGLBSA-N 0 0 215.293 2.382 10 0 BEAERN CCOC(=O)Nc1ccc(OCC)c(CO)c1 ZINC000038033717 170243809 /nfs/dbraw/zinc/24/38/09/170243809.db2.gz XIYVXPCADZELJU-UHFFFAOYSA-N 0 0 239.271 2.146 10 0 BEAERN CCOC(=O)Nc1cc(Cl)nc(Cl)n1 ZINC000144204616 170244131 /nfs/dbraw/zinc/24/41/31/170244131.db2.gz YDAYIPWDWIADMT-UHFFFAOYSA-N 0 0 236.058 2.352 10 0 BEAERN CCOC(=O)[C@@H](C)Nc1cccc(F)c1 ZINC000037962205 170248157 /nfs/dbraw/zinc/24/81/57/170248157.db2.gz SOLFGZJIGXAZDG-MRVPVSSYSA-N 0 0 211.236 2.189 10 0 BEAERN CCOC(=O)[C@@H](C)Oc1cccc(OCC)c1 ZINC000051845154 170248200 /nfs/dbraw/zinc/24/82/00/170248200.db2.gz KEMTVDLMWFOJPY-SNVBAGLBSA-N 0 0 238.283 2.416 10 0 BEAERN CCOC(=O)[C@@H](C)Nc1nc2ccccc2o1 ZINC000049374004 170248430 /nfs/dbraw/zinc/24/84/30/170248430.db2.gz MTXOTHWIUKAKFE-MRVPVSSYSA-N 0 0 234.255 2.191 10 0 BEAERN CCOC(=O)[C@@H](CC)Oc1ccc(N)cc1F ZINC000076851381 170250773 /nfs/dbraw/zinc/25/07/73/170250773.db2.gz PFSNUISRCVLPTB-SNVBAGLBSA-N 0 0 241.262 2.128 10 0 BEAERN CCOC(=O)[C@@H](N)c1csc2ccccc21 ZINC000033786743 170254307 /nfs/dbraw/zinc/25/43/07/170254307.db2.gz LGMNCFQURFBTDH-NSHDSACASA-N 0 0 235.308 2.464 10 0 BEAERN CCOC(=O)[C@@H](c1ccc(O)cc1)n1cccc1 ZINC000040176406 170256618 /nfs/dbraw/zinc/25/66/18/170256618.db2.gz DSCFUSUMZORFJX-CYBMUJFWSA-N 0 0 245.278 2.346 10 0 BEAERN CCOC(=O)[C@@H]1CCc2sc(C)nc2C1 ZINC000033606715 170259151 /nfs/dbraw/zinc/25/91/51/170259151.db2.gz KLYDWMHKPCZUCD-MRVPVSSYSA-N 0 0 225.313 2.120 10 0 BEAERN CCOC(=O)C1=C(O)CC[C@H](C(C)C)C1 ZINC000054556966 170259785 /nfs/dbraw/zinc/25/97/85/170259785.db2.gz BSEGZDIJFOLZPJ-VHSXEESVSA-N 0 0 212.289 2.191 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]1(c1ccccc1)C(C)C ZINC000001696050 170260405 /nfs/dbraw/zinc/26/04/05/170260405.db2.gz WNQZJMXFTURWEQ-GXTWGEPZSA-N 0 0 234.295 2.500 10 0 BEAERN CCOC(=O)[C@H](NCC1CC1)[C@H]1CC=CCC1 ZINC000037968315 170277536 /nfs/dbraw/zinc/27/75/36/170277536.db2.gz DDWQOXRUNRCJID-QWHCGFSZSA-N 0 0 237.343 2.274 10 0 BEAERN CCOC(=O)[C@](O)(CC(C)C)c1ccccc1 ZINC000050976172 170285642 /nfs/dbraw/zinc/28/56/42/170285642.db2.gz QYUZBKBBLXFNLY-AWEZNQCLSA-N 0 0 236.311 2.483 10 0 BEAERN CCOC(=O)c1c(C)nc2sc(C)cn21 ZINC000040438148 170288596 /nfs/dbraw/zinc/28/85/96/170288596.db2.gz NWKLMUNHQJTCDO-UHFFFAOYSA-N 0 0 224.285 2.189 10 0 BEAERN CCOC(=O)c1c(N)sc2cccnc21 ZINC000095616566 170289049 /nfs/dbraw/zinc/28/90/49/170289049.db2.gz ATWCWWHTHRMICU-UHFFFAOYSA-N 0 0 222.269 2.055 10 0 BEAERN CCOC(=O)c1c[nH]c2nc(Cl)ccc12 ZINC000096028770 170289660 /nfs/dbraw/zinc/28/96/60/170289660.db2.gz WZJIDZZUFJIRTN-UHFFFAOYSA-N 0 0 224.647 2.393 10 0 BEAERN CCOC(=O)c1cc(C(C)(C)C)nn1CC ZINC000039102505 170291629 /nfs/dbraw/zinc/29/16/29/170291629.db2.gz NJEHBSIHECHBBK-UHFFFAOYSA-N 0 0 224.304 2.377 10 0 BEAERN CCOC(=O)c1cc(C(C)(C)C)[nH]c1N ZINC000033426591 170291903 /nfs/dbraw/zinc/29/19/03/170291903.db2.gz IXMGAYNMNNKIRW-UHFFFAOYSA-N 0 0 210.277 2.071 10 0 BEAERN CCOC(=O)c1cc2[nH]ccc2c(O)c1 ZINC000044699946 170292969 /nfs/dbraw/zinc/29/29/69/170292969.db2.gz WKJZWTBZQAKTBO-UHFFFAOYSA-N 0 0 205.213 2.050 10 0 BEAERN CCOC(=O)c1cc2occc2n1CC ZINC000001337790 170294842 /nfs/dbraw/zinc/29/48/42/170294842.db2.gz DLPAMSXQFJAVEY-UHFFFAOYSA-N 0 0 207.229 2.431 10 0 BEAERN CCOC(=O)c1ccc(OC[C@@H](O)CC)cc1 ZINC000071777331 170297050 /nfs/dbraw/zinc/29/70/50/170297050.db2.gz DTRIBEPATDWLHV-NSHDSACASA-N 0 0 238.283 2.013 10 0 BEAERN CCOC(=O)c1ccc(N[C@H]2C[C@H]2CC)nc1 ZINC000227014035 170297168 /nfs/dbraw/zinc/29/71/68/170297168.db2.gz YTIRNYSGVLGUIS-KOLCDFICSA-N 0 0 234.299 2.469 10 0 BEAERN CCOC(=O)c1ccc([C@@H](O)CC)cc1 ZINC000039117752 170297551 /nfs/dbraw/zinc/29/75/51/170297551.db2.gz DTTSRNBCKONNSB-NSHDSACASA-N 0 0 208.257 2.307 10 0 BEAERN CCOC(=O)c1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000072190810 170298019 /nfs/dbraw/zinc/29/80/19/170298019.db2.gz DQNXCZFKVCZAMA-SECBINFHSA-N 0 0 247.216 2.425 10 0 BEAERN CCOC(=O)c1cccc(-n2ccnc2)c1 ZINC000075838454 170298586 /nfs/dbraw/zinc/29/85/86/170298586.db2.gz IQZGJDSJKFQBIS-UHFFFAOYSA-N 0 0 216.240 2.049 10 0 BEAERN CCOC(=O)c1cccc([C@@H](N)C(F)(F)F)c1 ZINC000072195318 170299245 /nfs/dbraw/zinc/29/92/45/170299245.db2.gz KVKJDLKFMWYIHC-SECBINFHSA-N 0 0 247.216 2.425 10 0 BEAERN CCOC(=O)c1cn(C)cc1C(F)F ZINC000091692102 170300695 /nfs/dbraw/zinc/30/06/95/170300695.db2.gz RGOOBJBVBDKWNW-UHFFFAOYSA-N 0 0 203.188 2.139 10 0 BEAERN CCOC(=O)c1cnc(C(F)(F)F)cc1OC ZINC000095761599 170301506 /nfs/dbraw/zinc/30/15/06/170301506.db2.gz PNDNYEGCCBRAEB-UHFFFAOYSA-N 0 0 249.188 2.286 10 0 BEAERN CCOC(=O)c1cnc(Br)c(F)c1 ZINC000047203022 170301576 /nfs/dbraw/zinc/30/15/76/170301576.db2.gz XGJNWVZPCCMXGF-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1cscc1OCC ZINC000039241149 170306041 /nfs/dbraw/zinc/30/60/41/170306041.db2.gz FKRDHSJRDDPBEL-UHFFFAOYSA-N 0 0 200.259 2.324 10 0 BEAERN CCOC(=O)c1nc(F)ccc1Br ZINC000047203042 170306768 /nfs/dbraw/zinc/30/67/68/170306768.db2.gz HIJWTRLTQRTXJB-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ncc(Br)cc1F ZINC000047203046 170308142 /nfs/dbraw/zinc/30/81/42/170308142.db2.gz WNKRKPBQQRDZFN-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1ncc(F)cc1Br ZINC000047203038 170308271 /nfs/dbraw/zinc/30/82/71/170308271.db2.gz VPOWPZNWBVEILX-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CCOC(=O)c1oc2ccc(F)cc2c1N ZINC000096029055 170310161 /nfs/dbraw/zinc/31/01/61/170310161.db2.gz RBUHGUJRIYFORC-UHFFFAOYSA-N 0 0 223.203 2.331 10 0 BEAERN CCOC(=O)c1sc(N)c(C(C)=O)c1C ZINC000082293873 170310489 /nfs/dbraw/zinc/31/04/89/170310489.db2.gz RRYCXSIKPYABCV-UHFFFAOYSA-N 0 0 227.285 2.018 10 0 BEAERN CCOC(=O)c1snnc1CCC(C)C ZINC000072441351 170311211 /nfs/dbraw/zinc/31/12/11/170311211.db2.gz NMYJAIVYGJTZOJ-UHFFFAOYSA-N 0 0 228.317 2.303 10 0 BEAERN CCOC(Cc1ccccn1)(OCC)OCC ZINC000299889845 170315567 /nfs/dbraw/zinc/31/55/67/170315567.db2.gz PPMICSBZKNIHAZ-UHFFFAOYSA-N 0 0 239.315 2.387 10 0 BEAERN CCOC(OCC)(OCC)c1cccnc1 ZINC000253180208 170315673 /nfs/dbraw/zinc/31/56/73/170315673.db2.gz CTZOHFRDFXZDHI-UHFFFAOYSA-N 0 0 225.288 2.301 10 0 BEAERN CCOC/C=C\c1cn2ccccc2n1 ZINC000215593962 170317508 /nfs/dbraw/zinc/31/75/08/170317508.db2.gz GHJUQRGMJBMTJQ-WAYWQWQTSA-N 0 0 202.257 2.384 10 0 BEAERN CCOC1=CC(=O)N[C@H](c2ccccc2)C1 ZINC000039100283 170319902 /nfs/dbraw/zinc/31/99/02/170319902.db2.gz SXMHUESUJSJGHL-LBPRGKRZSA-N 0 0 217.268 2.168 10 0 BEAERN CCOCC(=O)Nc1cccc2c1NCCC2 ZINC000020251931 170348826 /nfs/dbraw/zinc/34/88/26/170348826.db2.gz RCMPWBVSNWKSDK-UHFFFAOYSA-N 0 0 234.299 2.020 10 0 BEAERN CCOCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116042560 170358415 /nfs/dbraw/zinc/35/84/15/170358415.db2.gz HRQSQJLTNWUOOZ-LLVKDONJSA-N 0 0 237.299 2.370 10 0 BEAERN CCOCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116042564 170358819 /nfs/dbraw/zinc/35/88/19/170358819.db2.gz HRQSQJLTNWUOOZ-NSHDSACASA-N 0 0 237.299 2.370 10 0 BEAERN CCOCCC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110443852 170361088 /nfs/dbraw/zinc/36/10/88/170361088.db2.gz SOBRKAHTUMVPNP-KBPBESRZSA-N 0 0 247.338 2.333 10 0 BEAERN CCOCCCCNC(=O)CCCSC ZINC000119005027 170367448 /nfs/dbraw/zinc/36/74/48/170367448.db2.gz GMYIBBLPTAVZOU-UHFFFAOYSA-N 0 0 233.377 2.063 10 0 BEAERN CCOCCCNc1ccnc(C2CC2)n1 ZINC000110111761 170383851 /nfs/dbraw/zinc/38/38/51/170383851.db2.gz OCKQDLIWWFAWEE-UHFFFAOYSA-N 0 0 221.304 2.193 10 0 BEAERN CCOCCCn1c(N)cc2ccccc2c1=O ZINC000036946489 170385360 /nfs/dbraw/zinc/38/53/60/170385360.db2.gz UWOWLLBULMOXDX-UHFFFAOYSA-N 0 0 246.310 2.010 10 0 BEAERN CCOCCCn1c(C)cc(C=O)c1C ZINC000019475920 170385444 /nfs/dbraw/zinc/38/54/44/170385444.db2.gz AVNLZVCTGASJQP-UHFFFAOYSA-N 0 0 209.289 2.344 10 0 BEAERN CCOCCNc1ccc2c(c1)OCCCO2 ZINC000035098130 170416677 /nfs/dbraw/zinc/41/66/77/170416677.db2.gz LABLEZVRYJJFHE-UHFFFAOYSA-N 0 0 237.299 2.296 10 0 BEAERN CCCc1nccnc1N[C@@H](C)Cn1ccnc1 ZINC000663386093 411643641 /nfs/dbraw/zinc/64/36/41/411643641.db2.gz AZVSSHLHONVVTD-NSHDSACASA-N 0 0 245.330 2.126 10 0 BEAERN CCCc1nccnc1N[C@@H](C)Cn1cccn1 ZINC000663388217 411645483 /nfs/dbraw/zinc/64/54/83/411645483.db2.gz ODAJSLGPGJHGMZ-NSHDSACASA-N 0 0 245.330 2.126 10 0 BEAERN OCC1CC([NH2+]Cc2sccc2Cl)C1 ZINC000657811283 411602653 /nfs/dbraw/zinc/60/26/53/411602653.db2.gz UKCSLROQOAJMAO-UHFFFAOYSA-N 0 0 231.748 2.262 10 0 BEAERN CCO[C@@H](C)C(=O)NCCC1=CCCC1 ZINC000131269829 170473081 /nfs/dbraw/zinc/47/30/81/170473081.db2.gz QNDNIJXUPYELSQ-JTQLQIEISA-N 0 0 211.305 2.028 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CCCO1 ZINC000663313826 411622383 /nfs/dbraw/zinc/62/23/83/411622383.db2.gz UCGBYRPHOQKFGC-JTQLQIEISA-N 0 0 221.304 2.020 10 0 BEAERN CCCc1nccnc1NCCOCC1CC1 ZINC000663580718 411705226 /nfs/dbraw/zinc/70/52/26/411705226.db2.gz GJCCMYLOBROTKT-UHFFFAOYSA-N 0 0 235.331 2.268 10 0 BEAERN CCCc1nccnc1NCc1cc(C)on1 ZINC000663427580 411657942 /nfs/dbraw/zinc/65/79/42/411657942.db2.gz WOIDWOBKQSSUPI-UHFFFAOYSA-N 0 0 232.287 2.338 10 0 BEAERN CCCc1nccnc1NCCn1cc(C)cn1 ZINC000663562371 411701816 /nfs/dbraw/zinc/70/18/16/411701816.db2.gz SHNWFCZPRQFLHA-UHFFFAOYSA-N 0 0 245.330 2.046 10 0 BEAERN CCOc1cccc(CNc2cccnn2)c1 ZINC000052830848 170579895 /nfs/dbraw/zinc/57/98/95/170579895.db2.gz HRSGXZNIGVARLF-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN CCOc1cccc([C@H](CC(=O)[O-])[NH+](C)C)c1 ZINC000057528647 170585821 /nfs/dbraw/zinc/58/58/21/170585821.db2.gz ROJHFWUGUMOBEF-LBPRGKRZSA-N 0 0 237.299 2.163 10 0 BEAERN CCOc1cccc2c(N)cc(COC)nc12 ZINC000051698348 170587151 /nfs/dbraw/zinc/58/71/51/170587151.db2.gz BSGAEDBHICITCB-UHFFFAOYSA-N 0 0 232.283 2.362 10 0 BEAERN CCOc1ccccc1NCC(=O)NC(C)C ZINC000020041304 170595279 /nfs/dbraw/zinc/59/52/79/170595279.db2.gz FQQHJGLQPSUMOO-UHFFFAOYSA-N 0 0 236.315 2.022 10 0 BEAERN CCOc1ccccc1[C@@H](C)n1nccc1N ZINC000019257076 170598210 /nfs/dbraw/zinc/59/82/10/170598210.db2.gz YNDVLNCBSFDWOA-SNVBAGLBSA-N 0 0 231.299 2.473 10 0 BEAERN CCCc1nccnc1N1CCC[C@](C)(O)CC1 ZINC000663860337 411763641 /nfs/dbraw/zinc/76/36/41/411763641.db2.gz JDSBQLSJHFESKU-AWEZNQCLSA-N 0 0 249.358 2.170 10 0 BEAERN CCCc1nccnc1NC[C@H](CC)CCO ZINC000663706560 411728091 /nfs/dbraw/zinc/72/80/91/411728091.db2.gz TVKJEWLMGIUKPO-LLVKDONJSA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1NC[C@@]1(C)CCCO1 ZINC000663706551 411728141 /nfs/dbraw/zinc/72/81/41/411728141.db2.gz SWSFNTOMFLZABS-CYBMUJFWSA-N 0 0 235.331 2.410 10 0 BEAERN CCCc1nccnc1N[C@H]1CO[C@@H](C)C1 ZINC000664056115 411832582 /nfs/dbraw/zinc/83/25/82/411832582.db2.gz SUDQCVYGQYFQCF-VHSXEESVSA-N 0 0 221.304 2.018 10 0 BEAERN COC(=O)[C@@H](C)c1cc(N)nc2ccccc21 ZINC000606303168 411909369 /nfs/dbraw/zinc/90/93/69/411909369.db2.gz PFYIHEDILXCMMA-QMMMGPOBSA-N 0 0 230.267 2.094 10 0 BEAERN CCCc1nccnc1N[C@H]1COC(C)(C)C1 ZINC000664146213 411872992 /nfs/dbraw/zinc/87/29/92/411872992.db2.gz VVAIHQFRRNPWKW-SNVBAGLBSA-N 0 0 235.331 2.409 10 0 BEAERN CC(C)c1nccnc1N1C[C@H](C)[C@](C)(CO)C1 ZINC000664594794 411993929 /nfs/dbraw/zinc/99/39/29/411993929.db2.gz CNWGJDBEJSMLFL-FZMZJTMJSA-N 0 0 249.358 2.055 10 0 BEAERN CC(C)c1nccnc1N1C[C@H](C)[C@@](C)(CO)C1 ZINC000664594796 411994211 /nfs/dbraw/zinc/99/42/11/411994211.db2.gz CNWGJDBEJSMLFL-SMDDNHRTSA-N 0 0 249.358 2.055 10 0 BEAERN CC[C@@H](O)c1cnc2cc(Cl)ccn21 ZINC000074376881 170939211 /nfs/dbraw/zinc/93/92/11/170939211.db2.gz PHKVBRNBTQYLAB-SECBINFHSA-N 0 0 210.664 2.431 10 0 BEAERN CC[C@@H]1CCCC[C@@H]1Oc1ncc(N)cn1 ZINC000040456007 170968400 /nfs/dbraw/zinc/96/84/00/170968400.db2.gz JXXBEFMTAFXNME-KOLCDFICSA-N 0 0 221.304 2.406 10 0 BEAERN CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000040443123 171005196 /nfs/dbraw/zinc/00/51/96/171005196.db2.gz ZDIZVOYIUYVPCG-ZJUUUORDSA-N 0 0 229.320 2.014 10 0 BEAERN CC[C@@](C)([NH3+])c1noc(-c2ccccc2)n1 ZINC000042290302 171172557 /nfs/dbraw/zinc/17/25/57/171172557.db2.gz MXVLUWCYPVLYDQ-GFCCVEGCSA-N 0 0 217.272 2.321 10 0 BEAERN CC[C@@](C)(OC)C(=O)Nc1ccccc1OC ZINC000170228869 171191585 /nfs/dbraw/zinc/19/15/85/171191585.db2.gz DDUFNGVHPORJFT-CYBMUJFWSA-N 0 0 237.299 2.449 10 0 BEAERN CC[C@@]([NH2+]CC1CC1)(C(=O)[O-])c1ccc(O)cc1 ZINC000037967177 171195188 /nfs/dbraw/zinc/19/51/88/171195188.db2.gz MPEIGGUBCQVHMO-AWEZNQCLSA-N 0 0 249.310 2.082 10 0 BEAERN CC[C@H](C(=O)[O-])N1CCC[C@@H]1c1nccs1 ZINC000365058103 171236206 /nfs/dbraw/zinc/23/62/06/171236206.db2.gz GTRMBWMZIPKNER-RKDXNWHRSA-N 0 0 240.328 2.143 10 0 BEAERN CC[C@H](C(C)C)N1C(=O)c2ccc(N)cc2C1=O ZINC000042590562 171243511 /nfs/dbraw/zinc/24/35/11/171243511.db2.gz IXLSJJPDRDSRCN-GFCCVEGCSA-N 0 0 246.310 2.299 10 0 BEAERN CC[C@H](C)CNC(=O)c1cccc(F)c1N ZINC000054492354 171284175 /nfs/dbraw/zinc/28/41/75/171284175.db2.gz NNEDGQXVJGZCPD-QMMMGPOBSA-N 0 0 224.279 2.184 10 0 BEAERN CC[C@H](C)CNc1ccc2c(c1)OCC(=O)N2 ZINC000121266598 171287681 /nfs/dbraw/zinc/28/76/81/171287681.db2.gz RBCANHHLNMHNCK-VIFPVBQESA-N 0 0 234.299 2.476 10 0 BEAERN CC[C@H](C)Cn1c2ccc(N)cc2oc1=O ZINC000050424514 171301058 /nfs/dbraw/zinc/30/10/58/171301058.db2.gz ZHUBBAFTIWTVMP-QMMMGPOBSA-N 0 0 220.272 2.223 10 0 BEAERN CC[C@H](C)N(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043512533 171303713 /nfs/dbraw/zinc/30/37/13/171303713.db2.gz YBYZUJYHOOBAEI-SMDDNHRTSA-N 0 0 246.354 2.130 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(F)c(N)c(F)c1 ZINC000063005150 171303830 /nfs/dbraw/zinc/30/38/30/171303830.db2.gz IUSBADDVMFVBRK-ZETCQYMHSA-N 0 0 242.269 2.418 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1c(C)cccc1N ZINC000037109087 171303897 /nfs/dbraw/zinc/30/38/97/171303897.db2.gz YTVCZHOINBIMDJ-JTQLQIEISA-N 0 0 220.316 2.448 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cc(C)ccc1N ZINC000053000886 171303907 /nfs/dbraw/zinc/30/39/07/171303907.db2.gz VISYLQNSGANTFS-JTQLQIEISA-N 0 0 220.316 2.448 10 0 BEAERN CC[C@H](C)N(C)C(=O)c1cccc(F)c1N ZINC000054207158 171305298 /nfs/dbraw/zinc/30/52/98/171305298.db2.gz UIULQXIDXOZIRO-QMMMGPOBSA-N 0 0 224.279 2.278 10 0 BEAERN CC[C@H](C)N1CCN(c2ccc(C=O)o2)CC1 ZINC000055067534 171319273 /nfs/dbraw/zinc/31/92/73/171319273.db2.gz BPCRBSDBXFWXPO-NSHDSACASA-N 0 0 236.315 2.013 10 0 BEAERN CC[C@H](C)NC(=O)CCNc1nc(C)cs1 ZINC000038015072 171324108 /nfs/dbraw/zinc/32/41/08/171324108.db2.gz YDPNOAKAIJMBHE-QMMMGPOBSA-N 0 0 241.360 2.168 10 0 BEAERN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccco1 ZINC000035207000 171335069 /nfs/dbraw/zinc/33/50/69/171335069.db2.gz IBJVMMLKEZEEGP-DCAQKATOSA-N 0 0 238.331 2.233 10 0 BEAERN CC[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107082131 171336041 /nfs/dbraw/zinc/33/60/41/171336041.db2.gz CPPUZTWHSAGNTK-VIFPVBQESA-N 0 0 245.282 2.265 10 0 BEAERN CC[C@H](C)NC(=O)c1cc(N)cn1C(C)C ZINC000036860874 171336208 /nfs/dbraw/zinc/33/62/08/171336208.db2.gz YJNLAERSQFUZJW-VIFPVBQESA-N 0 0 223.320 2.180 10 0 BEAERN CC[C@H](C)NC(=O)c1cccc(N)c1C ZINC000020194321 171337702 /nfs/dbraw/zinc/33/77/02/171337702.db2.gz KMKQOCOPDXHMGJ-QMMMGPOBSA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@H](C)NC(=O)c1cnc(NC)c(Cl)c1 ZINC000050725342 171338558 /nfs/dbraw/zinc/33/85/58/171338558.db2.gz YQFAFKKSWQPYIA-ZETCQYMHSA-N 0 0 241.722 2.305 10 0 BEAERN CC[C@H](C)Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000037781457 171349449 /nfs/dbraw/zinc/34/94/49/171349449.db2.gz DARSBOHSWDJPDB-JTQLQIEISA-N 0 0 231.299 2.376 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000048265362 171351202 /nfs/dbraw/zinc/35/12/02/171351202.db2.gz BKDNXJDGVDPABL-GWCFXTLKSA-N 0 0 233.311 2.043 10 0 BEAERN CC[C@H](C)S(=O)(=O)Cc1cc(F)ccc1N ZINC000035320110 171356825 /nfs/dbraw/zinc/35/68/25/171356825.db2.gz DLWAXCJLOXNSQX-QMMMGPOBSA-N 0 0 245.319 2.121 10 0 BEAERN CC[C@H](C)Sc1ccc(N)c(C(N)=O)c1 ZINC000041080462 171357192 /nfs/dbraw/zinc/35/71/92/171357192.db2.gz BOCFFSVLVRMNLG-ZETCQYMHSA-N 0 0 224.329 2.258 10 0 BEAERN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(N)cc1N ZINC000042551084 171363565 /nfs/dbraw/zinc/36/35/65/171363565.db2.gz JJPIISRDNQQNNF-DTWKUNHWSA-N 0 0 235.331 2.015 10 0 BEAERN CC[C@H](C)[C@@H](C)Nc1cnn(CCOC)c1 ZINC000037090287 171367714 /nfs/dbraw/zinc/36/77/14/171367714.db2.gz UDRXYEJHVMWWRZ-WDEREUQCSA-N 0 0 225.336 2.376 10 0 BEAERN CC[C@H](C)[S@@](=O)Cc1cc(F)ccc1N ZINC000040964006 171408332 /nfs/dbraw/zinc/40/83/32/171408332.db2.gz YCBWIYVJFKBRAT-VXJOIVPMSA-N 0 0 229.320 2.455 10 0 BEAERN CN1CC[C@H](Nc2cc[nH]n2)c2ccccc21 ZINC000616676541 412257798 /nfs/dbraw/zinc/25/77/98/412257798.db2.gz WZKWJUWRPMKZTQ-NSHDSACASA-N 0 0 228.299 2.403 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)c2ncccc2N)[C@H](C)C1 ZINC000132715244 412217945 /nfs/dbraw/zinc/21/79/45/412217945.db2.gz RKMLFBBUWIPTKD-CKYFFXLPSA-N 0 0 247.342 2.218 10 0 BEAERN C[C@H]1CCCCCN1C(=O)c1ncccc1N ZINC000132718235 412218522 /nfs/dbraw/zinc/21/85/22/412218522.db2.gz SDBGTCGUUQUSQQ-JTQLQIEISA-N 0 0 233.315 2.069 10 0 BEAERN CCC(CC)(CC)NC(=O)c1ncccc1N ZINC000132744572 412246040 /nfs/dbraw/zinc/24/60/40/412246040.db2.gz YQRQXNSCBUYDPH-UHFFFAOYSA-N 0 0 235.331 2.362 10 0 BEAERN CCC[C@@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662630658 412250060 /nfs/dbraw/zinc/25/00/60/412250060.db2.gz HHNQUIDLXYEXEI-CYBMUJFWSA-N 0 0 238.375 2.153 10 0 BEAERN CC[C@H]1CC[C@H]1Nc1cn(C)nc1OC ZINC000336754955 171649074 /nfs/dbraw/zinc/64/90/74/171649074.db2.gz HUVJWWXZYMDYGI-DTWKUNHWSA-N 0 0 209.293 2.029 10 0 BEAERN CC[C@H]1N=C(c2ccc(Cl)cc2)NO1 ZINC000032191986 171681022 /nfs/dbraw/zinc/68/10/22/171681022.db2.gz LBCUISTYDXONFZ-VIFPVBQESA-N 0 0 210.664 2.358 10 0 BEAERN Nc1cccnc1-c1nc(C2CCCC2)no1 ZINC000132893882 412348713 /nfs/dbraw/zinc/34/87/13/412348713.db2.gz YYVAKGKRHUHKSQ-UHFFFAOYSA-N 0 0 230.271 2.371 10 0 BEAERN CC[C@]1(CCc2ccco2)COC(=O)N1 ZINC000141597464 171723773 /nfs/dbraw/zinc/72/37/73/171723773.db2.gz GGBLPCRBVLZXDB-NSHDSACASA-N 0 0 209.245 2.101 10 0 BEAERN CCc1c(C)sc(N)c1C(=O)N1CCCC1 ZINC000104423446 171742107 /nfs/dbraw/zinc/74/21/07/171742107.db2.gz XPERYPXZGKVBBZ-UHFFFAOYSA-N 0 0 238.356 2.437 10 0 BEAERN CCc1cc2cccc(F)c2[nH]c1=NN ZINC000011634034 171776907 /nfs/dbraw/zinc/77/69/07/171776907.db2.gz SULQMVNKCBVPAF-UHFFFAOYSA-N 0 0 205.236 2.222 10 0 BEAERN CCc1ccc(-c2cc(N)n(C)n2)s1 ZINC000043640136 171777838 /nfs/dbraw/zinc/77/78/38/171777838.db2.gz CNLUXLBEGCBLRT-UHFFFAOYSA-N 0 0 207.302 2.293 10 0 BEAERN CCc1ccc([C@H]([NH2+]CC2CC2)C(=O)[O-])cc1 ZINC000037967390 171843691 /nfs/dbraw/zinc/84/36/91/171843691.db2.gz ZBKSNIBPBISVFX-ZDUSSCGKSA-N 0 0 233.311 2.374 10 0 BEAERN CCc1ccc([C@H]2CC(=O)Nc3n[nH]cc32)o1 ZINC000065462932 171844550 /nfs/dbraw/zinc/84/45/50/171844550.db2.gz AKBZTOWZGITEGW-QMMMGPOBSA-N 0 0 231.255 2.039 10 0 BEAERN CCc1ccccc1Cn1ncc(C)c1N ZINC000052203267 171884244 /nfs/dbraw/zinc/88/42/44/171884244.db2.gz KHTKOTLAQWCWMJ-UHFFFAOYSA-N 0 0 215.300 2.384 10 0 BEAERN CCc1ccccc1Cn1nc(C)cc1N ZINC000052203268 171884443 /nfs/dbraw/zinc/88/44/43/171884443.db2.gz UOBOVPVBWRKXPL-UHFFFAOYSA-N 0 0 215.300 2.384 10 0 BEAERN CCc1ccccc1OCC(=O)N[C@H]1C[C@@H]1C ZINC000075530719 171890608 /nfs/dbraw/zinc/89/06/08/171890608.db2.gz VJVJXTKRHGSSSP-JQWIXIFHSA-N 0 0 233.311 2.152 10 0 BEAERN CCc1nc(-c2cccnc2)c(N)n1CC ZINC000105032821 171938680 /nfs/dbraw/zinc/93/86/80/171938680.db2.gz KPKIQXBKAKMWCA-UHFFFAOYSA-N 0 0 216.288 2.110 10 0 BEAERN CCc1nc(-c2cnc(C)nc2N)sc1C ZINC000062329534 171941161 /nfs/dbraw/zinc/94/11/61/171941161.db2.gz MVKUCDLXKTVNQV-UHFFFAOYSA-N 0 0 234.328 2.362 10 0 BEAERN CCc1nc(-n2nc(C)cc2C)[nH]c(=S)c1C ZINC000045956356 171941275 /nfs/dbraw/zinc/94/12/75/171941275.db2.gz WEEJNRZCBHMNSY-UHFFFAOYSA-N 0 0 248.355 2.439 10 0 BEAERN CCc1nc(-c2cccnc2)cc(=S)[nH]1 ZINC000045956423 172000294 /nfs/dbraw/zinc/00/02/94/172000294.db2.gz PIBYFEPKOHYJOW-UHFFFAOYSA-N 0 0 217.297 2.390 10 0 BEAERN CCc1nc([C@@H](N)c2ccc(F)c(C)c2)no1 ZINC000050559494 172004074 /nfs/dbraw/zinc/00/40/74/172004074.db2.gz PPPKTNOHWOFSRH-NSHDSACASA-N 0 0 235.262 2.128 10 0 BEAERN CCc1nc([C@@H](N)c2cccc(C)c2C)no1 ZINC000049796263 172004644 /nfs/dbraw/zinc/00/46/44/172004644.db2.gz DNQWPIGFSSRREY-LBPRGKRZSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1nc([C@@]2([NH3+])CCSC2)sc1C ZINC000041060231 172005056 /nfs/dbraw/zinc/00/50/56/172005056.db2.gz ZRKKGGCGKPBFPE-SNVBAGLBSA-N 0 0 228.386 2.305 10 0 BEAERN CCc1nc([C@H](N)c2cc(C)ccc2C)no1 ZINC000049671059 172007308 /nfs/dbraw/zinc/00/73/08/172007308.db2.gz RRTHBYSPYBPOFG-GFCCVEGCSA-N 0 0 231.299 2.297 10 0 BEAERN CCc1ncc(-c2cccc(F)c2)c(N)n1 ZINC000061675357 172015362 /nfs/dbraw/zinc/01/53/62/172015362.db2.gz TWMWHQSDDWFUGK-UHFFFAOYSA-N 0 0 217.247 2.427 10 0 BEAERN CCc1nccn1Cc1nc(N)ccc1Cl ZINC000061639735 172027022 /nfs/dbraw/zinc/02/70/22/172027022.db2.gz XMVGCUUKULEMTR-UHFFFAOYSA-N 0 0 236.706 2.124 10 0 BEAERN CCc1nccn1Cc1cc(F)ccc1N ZINC000042419596 172027744 /nfs/dbraw/zinc/02/77/44/172027744.db2.gz YLFZEJZCHQNFCX-UHFFFAOYSA-N 0 0 219.263 2.215 10 0 BEAERN CCc1ncnc(N[C@@](C)(CC)CCO)c1F ZINC000218070282 172033274 /nfs/dbraw/zinc/03/32/74/172033274.db2.gz MPHRTHMBRUTKCE-LBPRGKRZSA-N 0 0 241.310 2.141 10 0 BEAERN CCc1nn(C)c(N)c1-c1cccs1 ZINC000052901592 172039537 /nfs/dbraw/zinc/03/95/37/172039537.db2.gz NVVWEHXGMSTBSU-UHFFFAOYSA-N 0 0 207.302 2.293 10 0 BEAERN CCc1nn(C)c(N)c1-c1ccccc1 ZINC000008337561 172039597 /nfs/dbraw/zinc/03/95/97/172039597.db2.gz VVYDMJNSRDLPRN-UHFFFAOYSA-N 0 0 201.273 2.232 10 0 BEAERN CCc1nnc(-c2ccc(N)c(C)c2)o1 ZINC000036335842 172045400 /nfs/dbraw/zinc/04/54/00/172045400.db2.gz FJOZUNQCHFKINE-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nnc(COc2cccc(C)c2F)n1C ZINC000182970045 172055577 /nfs/dbraw/zinc/05/55/77/172055577.db2.gz JOTBSLUCMJYVPX-UHFFFAOYSA-N 0 0 249.289 2.404 10 0 BEAERN CCc1nnc2ccc(-c3ccccc3)nn21 ZINC000027703726 172067508 /nfs/dbraw/zinc/06/75/08/172067508.db2.gz YNILUOVXEMLGRR-UHFFFAOYSA-N 0 0 224.267 2.354 10 0 BEAERN CCc1noc(-c2snnc2C2CC2)n1 ZINC000329772507 172073463 /nfs/dbraw/zinc/07/34/63/172073463.db2.gz HMKGNZQDLPPMHJ-UHFFFAOYSA-N 0 0 222.273 2.028 10 0 BEAERN CCc1noc(C)c1NC(=O)C1(C)CC1 ZINC000121054608 172082517 /nfs/dbraw/zinc/08/25/17/172082517.db2.gz YUWIPMAYWHSFCM-UHFFFAOYSA-N 0 0 208.261 2.284 10 0 BEAERN CCc1oc(C(=O)NCC(F)(F)F)cc1C ZINC000119943549 172109264 /nfs/dbraw/zinc/10/92/64/172109264.db2.gz ZQJHOOITJTYOCZ-UHFFFAOYSA-N 0 0 235.205 2.443 10 0 BEAERN CCc1oc(C(=O)NC2CCOCC2)cc1C ZINC000124782203 172110020 /nfs/dbraw/zinc/11/00/20/172110020.db2.gz PMXKIXUURUBNTP-UHFFFAOYSA-N 0 0 237.299 2.059 10 0 BEAERN CCc1oc(C(=O)NCc2cc(C)no2)cc1C ZINC000128086388 172111249 /nfs/dbraw/zinc/11/12/49/172111249.db2.gz PCWDUSYAHIHPNQ-UHFFFAOYSA-N 0 0 248.282 2.377 10 0 BEAERN CCc1oncc1NC[C@H]1CCSC1 ZINC000306351417 172127544 /nfs/dbraw/zinc/12/75/44/172127544.db2.gz XMALMFIRSOGEDY-MRVPVSSYSA-N 0 0 212.318 2.402 10 0 BEAERN CCc1sc(Cc2c[nH]cn2)nc1C ZINC000013802764 172130006 /nfs/dbraw/zinc/13/00/06/172130006.db2.gz FDTWOCAFXMIOCT-UHFFFAOYSA-N 0 0 207.302 2.328 10 0 BEAERN CCn1c(N)c(C)nc1-c1ccccc1 ZINC000104907910 172130501 /nfs/dbraw/zinc/13/05/01/172130501.db2.gz NVHKPYMDNIDBSG-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1c(-c2ccc(N)nc2)nc2cccnc21 ZINC000104314828 172131280 /nfs/dbraw/zinc/13/12/80/172131280.db2.gz YWJCTNBFWANUEQ-UHFFFAOYSA-N 0 0 239.282 2.095 10 0 BEAERN CCn1c2ccc([C@@H](O)CC3CC3)cc2oc1=O ZINC000051363554 172132898 /nfs/dbraw/zinc/13/28/98/172132898.db2.gz QQEXIOKSTZZKCD-LBPRGKRZSA-N 0 0 247.294 2.448 10 0 BEAERN CCn1c(C(=O)N2CCCC2)cc2occc21 ZINC000035474996 172133034 /nfs/dbraw/zinc/13/30/34/172133034.db2.gz IJRZNSCCAAUXNV-UHFFFAOYSA-N 0 0 232.283 2.490 10 0 BEAERN CCn1c(=O)oc2cc([C@H](O)C(C)C)ccc21 ZINC000051363525 172133282 /nfs/dbraw/zinc/13/32/82/172133282.db2.gz FZYAKPILWCONBF-GFCCVEGCSA-N 0 0 235.283 2.304 10 0 BEAERN CCn1c2ccccc2nc1C(C)(C)O ZINC000008785914 172134271 /nfs/dbraw/zinc/13/42/71/172134271.db2.gz WCWZKVZOJVZSEQ-UHFFFAOYSA-N 0 0 204.273 2.284 10 0 BEAERN CCn1c(C)nnc1-c1ccccc1NC ZINC000042030079 172139237 /nfs/dbraw/zinc/13/92/37/172139237.db2.gz MHBPMBYQJLUDNN-UHFFFAOYSA-N 0 0 216.288 2.315 10 0 BEAERN CCn1cc(-c2ccc(C)c(N)c2)cn1 ZINC000043462508 172149156 /nfs/dbraw/zinc/14/91/56/172149156.db2.gz VGTSPTZZLQEWKO-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN CCn1cc(C(=O)c2cc(C)ccc2O)cn1 ZINC000039102956 172158619 /nfs/dbraw/zinc/15/86/19/172158619.db2.gz KUVYJVGRGHIOQD-UHFFFAOYSA-N 0 0 230.267 2.148 10 0 BEAERN CCn1cc(COc2ccc(N)c(F)c2)cn1 ZINC000050530943 172177098 /nfs/dbraw/zinc/17/70/98/172177098.db2.gz CNISALHZNXIORZ-UHFFFAOYSA-N 0 0 235.262 2.203 10 0 BEAERN CCn1cc(N)cc1C(=O)N(C)CC1CCCC1 ZINC000104356662 172178123 /nfs/dbraw/zinc/17/81/23/172178123.db2.gz GIMMJORNUJDBNC-UHFFFAOYSA-N 0 0 249.358 2.352 10 0 BEAERN CCn1cc(N)cc1C(=O)N[C@H]1CCC[C@H]1C ZINC000071205157 172178453 /nfs/dbraw/zinc/17/84/53/172178453.db2.gz VDOAQZQJYMDIMC-KOLCDFICSA-N 0 0 235.331 2.009 10 0 BEAERN CCn1cc(N[C@@H]2CCCSC2)cn1 ZINC000061573081 172186265 /nfs/dbraw/zinc/18/62/65/172186265.db2.gz JWKYHKYOOIQENM-SECBINFHSA-N 0 0 211.334 2.211 10 0 BEAERN CCn1cc(N[C@H](C)c2cccnc2)ccc1=O ZINC000037773780 172188115 /nfs/dbraw/zinc/18/81/15/172188115.db2.gz RSXVYWOFDNDOSQ-LLVKDONJSA-N 0 0 243.310 2.436 10 0 BEAERN CCn1ccnc1CN[C@H](C)c1ccco1 ZINC000051921489 172224392 /nfs/dbraw/zinc/22/43/92/172224392.db2.gz MXMMZVRDJJHXKR-SNVBAGLBSA-N 0 0 219.288 2.347 10 0 BEAERN CCn1ccnc1CSc1ccc(N)cn1 ZINC000054743642 172225667 /nfs/dbraw/zinc/22/56/67/172225667.db2.gz RMTBWNDKHZKPSO-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1nc(C)c(NC(=O)N[C@H]2C[C@H]2C)c1C ZINC000089481363 172247467 /nfs/dbraw/zinc/24/74/67/172247467.db2.gz HCGKSTHAKWVCTQ-XCBNKYQSSA-N 0 0 236.319 2.050 10 0 BEAERN CCn1ncc2c1cc(Br)cc2N ZINC000089197392 172256246 /nfs/dbraw/zinc/25/62/46/172256246.db2.gz PILAAWDVTBXCFP-UHFFFAOYSA-N 0 0 240.104 2.401 10 0 BEAERN CCn1nccc1CN[C@@H]1COc2ccccc21 ZINC000119090530 172272316 /nfs/dbraw/zinc/27/23/16/172272316.db2.gz HGBWMNDIQZZQAF-CYBMUJFWSA-N 0 0 243.310 2.126 10 0 BEAERN CCn1nccc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330258120 172275779 /nfs/dbraw/zinc/27/57/79/172275779.db2.gz RBOCWJGJYWZERC-GHMZBOCLSA-N 0 0 248.330 2.309 10 0 BEAERN CCn1ncnc1Sc1ccccc1 ZINC000039101036 172285102 /nfs/dbraw/zinc/28/51/02/172285102.db2.gz KVKGLTLXBQGUFR-UHFFFAOYSA-N 0 0 205.286 2.449 10 0 BEAERN CN(C(=O)C(C)(C)C)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004323313 172295039 /nfs/dbraw/zinc/29/50/39/172295039.db2.gz QOALFBGMYNMKDM-OUAUKWLOSA-N 0 0 207.317 2.456 10 0 BEAERN CN(C(=O)c1cc(N)c[nH]1)C1CCCCC1 ZINC000036861147 172337502 /nfs/dbraw/zinc/33/75/02/172337502.db2.gz OQGCWRSNQSEDCY-UHFFFAOYSA-N 0 0 221.304 2.002 10 0 BEAERN CN(C(=O)c1cc(N)cn1C1CC1)C1CCCC1 ZINC000036862779 172337756 /nfs/dbraw/zinc/33/77/56/172337756.db2.gz OKEFSMKOIBURPQ-UHFFFAOYSA-N 0 0 247.342 2.420 10 0 BEAERN CN(C(=O)c1ccccc1)[C@H]1CCCC[C@H]1O ZINC000010328821 172342282 /nfs/dbraw/zinc/34/22/82/172342282.db2.gz JQOZSLMREYIJDE-QWHCGFSZSA-N 0 0 233.311 2.062 10 0 BEAERN CN(C)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000106032755 172375915 /nfs/dbraw/zinc/37/59/15/172375915.db2.gz ONJVQKOVSOWUDS-UHFFFAOYSA-N 0 0 248.326 2.253 10 0 BEAERN CN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 ZINC000005454817 172381840 /nfs/dbraw/zinc/38/18/40/172381840.db2.gz MITWTLRVHJJPSO-UHFFFAOYSA-N 0 0 235.283 2.461 10 0 BEAERN CN(C)C(=O)c1c(O)cccc1C(C)(C)C ZINC000095711385 172387167 /nfs/dbraw/zinc/38/71/67/172387167.db2.gz PEDGZJPYHOHIDG-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1cc(C(F)(F)F)ccc1O ZINC000095711414 172387289 /nfs/dbraw/zinc/38/72/89/172387289.db2.gz GXVZDQPBKXWAQW-UHFFFAOYSA-N 0 0 233.189 2.113 10 0 BEAERN CN(C)C(=O)c1ccc(-c2cncc(O)c2)cc1 ZINC000065339473 172388317 /nfs/dbraw/zinc/38/83/17/172388317.db2.gz YOYPDRKVUUQIKS-UHFFFAOYSA-N 0 0 242.278 2.156 10 0 BEAERN CN(C)C(=O)c1ccc(O)c(CC2CC2)c1 ZINC000095711696 172389797 /nfs/dbraw/zinc/38/97/97/172389797.db2.gz XPEYDRMDSMITBX-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1ccc(NC2CCC2)cc1 ZINC000044480902 172389980 /nfs/dbraw/zinc/38/99/80/172389980.db2.gz GAGQCOGACDHUHU-UHFFFAOYSA-N 0 0 218.300 2.353 10 0 BEAERN CN(C)C(=O)c1ccc(F)c(OC2CC2)c1 ZINC000095727423 172390065 /nfs/dbraw/zinc/39/00/65/172390065.db2.gz JFAFVZBIMQYBLR-UHFFFAOYSA-N 0 0 223.247 2.069 10 0 BEAERN CN(C)C(=O)c1cccc(C(C)(C)C)c1O ZINC000095711609 172390768 /nfs/dbraw/zinc/39/07/68/172390768.db2.gz ROJANDSFHSTLOO-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1cccc(-c2ncccc2O)c1 ZINC000065339465 172390832 /nfs/dbraw/zinc/39/08/32/172390832.db2.gz DJJANYJKDGFBSR-UHFFFAOYSA-N 0 0 242.278 2.156 10 0 BEAERN CN(C)c1sc(N)cc1Br ZINC000106962917 172592097 /nfs/dbraw/zinc/59/20/97/172592097.db2.gz KPNHYWUESPFSCO-UHFFFAOYSA-N 0 0 221.123 2.159 10 0 BEAERN CN1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000077262298 173099483 /nfs/dbraw/zinc/09/94/83/173099483.db2.gz RFFZOHUQBNDYFV-ZDUSSCGKSA-N 0 0 243.310 2.080 10 0 BEAERN C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CO)C1 ZINC000013779622 173128327 /nfs/dbraw/zinc/12/83/27/173128327.db2.gz MVNHJEXPDKVMJY-YPMHNXCESA-N 0 0 239.746 2.368 10 0 BEAERN CN1CC[C@H](SCc2ccccc2F)C1=O ZINC000116397485 173155917 /nfs/dbraw/zinc/15/59/17/173155917.db2.gz BMHZTSGCYNWOBQ-NSHDSACASA-N 0 0 239.315 2.290 10 0 BEAERN CN1CCc2c(N)cc(Br)cc2C1 ZINC000082790276 173167410 /nfs/dbraw/zinc/16/74/10/173167410.db2.gz UFEMICUZZCCFSQ-UHFFFAOYSA-N 0 0 241.132 2.019 10 0 BEAERN CN1CCc2oc(Br)cc2C1 ZINC000082370072 173173733 /nfs/dbraw/zinc/17/37/33/173173733.db2.gz XITNJARRDIQGRB-UHFFFAOYSA-N 0 0 216.078 2.030 10 0 BEAERN CN1CCc2coc(Br)c2C1 ZINC000082370071 173174755 /nfs/dbraw/zinc/17/47/55/173174755.db2.gz SMLHCPZZHMGMQU-UHFFFAOYSA-N 0 0 216.078 2.030 10 0 BEAERN CN1C[C@@H](c2ccccc2Cl)OC1=O ZINC000041225848 173188207 /nfs/dbraw/zinc/18/82/07/173188207.db2.gz WATIMYAVFWWLFW-VIFPVBQESA-N 0 0 211.648 2.463 10 0 BEAERN CNC(=O)CCc1c(O)ccc2ccccc21 ZINC000013560912 173263861 /nfs/dbraw/zinc/26/38/61/173263861.db2.gz CWBQWBZAZCZJLP-UHFFFAOYSA-N 0 0 229.279 2.224 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc(OC(C)C)cc1 ZINC000020473033 173295682 /nfs/dbraw/zinc/29/56/82/173295682.db2.gz QLXMNPKKYLZSFW-SNVBAGLBSA-N 0 0 236.315 2.020 10 0 BEAERN CNC(=O)[C@@H](C)Nc1nc2cc(C)ccc2s1 ZINC000042572425 173295832 /nfs/dbraw/zinc/29/58/32/173295832.db2.gz VEKWXKLAZWVLIJ-MRVPVSSYSA-N 0 0 249.339 2.151 10 0 BEAERN CNC(=O)[C@H](C)Nc1cccc(Cl)c1C ZINC000008244437 173303845 /nfs/dbraw/zinc/30/38/45/173303845.db2.gz KOUVUWNGEULJGY-QMMMGPOBSA-N 0 0 226.707 2.195 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020308199 173304141 /nfs/dbraw/zinc/30/41/41/173304141.db2.gz BHGSUOHOORYBHC-ZETCQYMHSA-N 0 0 246.232 2.252 10 0 BEAERN CNC(=O)[C@H](C)Nc1cccc(C(C)C)c1 ZINC000020310190 173304196 /nfs/dbraw/zinc/30/41/96/173304196.db2.gz HBVWTJROJGJMAC-JTQLQIEISA-N 0 0 220.316 2.356 10 0 BEAERN CNC(=O)c1cc(C(C)(C)C)ccc1O ZINC000095712093 173309497 /nfs/dbraw/zinc/30/94/97/173309497.db2.gz LITASFSFGDXTRU-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1ccc(NC2CCC2)c(C)c1 ZINC000044481593 173310999 /nfs/dbraw/zinc/31/09/99/173310999.db2.gz ZOAHWHCDAUGNRJ-UHFFFAOYSA-N 0 0 218.300 2.319 10 0 BEAERN CNC(=O)c1ccc(SC)cc1OC1CC1 ZINC000095723098 173311334 /nfs/dbraw/zinc/31/13/34/173311334.db2.gz DKRRNWMOELDLTJ-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=O)c1cccc(N[C@H]2CCO[C@H](C)C2)c1 ZINC000070345918 173312053 /nfs/dbraw/zinc/31/20/53/173312053.db2.gz BLNYOZTZYDXXIO-MFKMUULPSA-N 0 0 248.326 2.026 10 0 BEAERN CNCc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000050615427 173397789 /nfs/dbraw/zinc/39/77/89/173397789.db2.gz NHDMWZVTWAPNKW-UHFFFAOYSA-N 0 0 237.690 2.033 10 0 BEAERN CNc1c(F)cccc1C(=O)N1CC[C@@H](C)C1 ZINC000054208915 173471527 /nfs/dbraw/zinc/47/15/27/173471527.db2.gz QYAUNBILMBBJCM-SECBINFHSA-N 0 0 236.290 2.349 10 0 BEAERN CNc1cc(SC)ncc1OC1CC1 ZINC000095729606 173474962 /nfs/dbraw/zinc/47/49/62/173474962.db2.gz LCMKHBJXIDGXKC-UHFFFAOYSA-N 0 0 210.302 2.386 10 0 BEAERN CNc1ccc(C(=O)NCC2CCC2)cc1 ZINC000050749109 173476675 /nfs/dbraw/zinc/47/66/75/173476675.db2.gz WQAWDTKGNMEOMH-UHFFFAOYSA-N 0 0 218.300 2.258 10 0 BEAERN CNc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000050726175 173478261 /nfs/dbraw/zinc/47/82/61/173478261.db2.gz MMFAYMGQSOMSTM-UHFFFAOYSA-N 0 0 227.267 2.376 10 0 BEAERN CNc1ccc(Oc2ccnc(C(N)=O)c2)cc1 ZINC000038057319 173480655 /nfs/dbraw/zinc/48/06/55/173480655.db2.gz CCZJZEIJSWVMOI-UHFFFAOYSA-N 0 0 243.266 2.015 10 0 BEAERN CNc1nc(-c2ccco2)nc(C)c1C ZINC000050865906 173485900 /nfs/dbraw/zinc/48/59/00/173485900.db2.gz NDJJXCKSNHMTFF-UHFFFAOYSA-N 0 0 203.245 2.395 10 0 BEAERN CNc1snnc1COc1ccc(F)cc1 ZINC000050831029 173491123 /nfs/dbraw/zinc/49/11/23/173491123.db2.gz QNMDYBARZNJEJY-UHFFFAOYSA-N 0 0 239.275 2.298 10 0 BEAERN COC(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000060721239 173496464 /nfs/dbraw/zinc/49/64/64/173496464.db2.gz JWDVDUGXLIWPME-NSCUHMNNSA-N 0 0 240.642 2.255 10 0 BEAERN COC(=O)/C=C/c1ccc2c(c1)OCCCO2 ZINC000082186959 173497554 /nfs/dbraw/zinc/49/75/54/173497554.db2.gz ROBYDMJLQNQIKV-GQCTYLIASA-N 0 0 234.251 2.034 10 0 BEAERN COC(=O)C(=O)c1cc(Cl)ccc1Cl ZINC000159213962 173500122 /nfs/dbraw/zinc/50/01/22/173500122.db2.gz OVOKZARCQCGFLX-UHFFFAOYSA-N 0 0 233.050 2.349 10 0 BEAERN COC(=O)C[C@@H](C)SC[C@H](O)C(C)(C)C ZINC000308788286 173623211 /nfs/dbraw/zinc/62/32/11/173623211.db2.gz HGJZBPBKIUFYSI-BDAKNGLRSA-N 0 0 234.361 2.078 10 0 BEAERN COC(=O)Nc1ccc(N)cc1Cl ZINC000019815636 173662108 /nfs/dbraw/zinc/66/21/08/173662108.db2.gz DIYGFWRQLKVMFW-UHFFFAOYSA-N 0 0 200.625 2.101 10 0 BEAERN COC(=O)[C@@H](C)Nc1cc(F)ccc1C ZINC000048484844 173691771 /nfs/dbraw/zinc/69/17/71/173691771.db2.gz FCBUHGFEONLXLB-MRVPVSSYSA-N 0 0 211.236 2.108 10 0 BEAERN COC(=O)[C@H](C)C[C@H](O)c1cccc(F)c1F ZINC000104247771 173773361 /nfs/dbraw/zinc/77/33/61/173773361.db2.gz LMTKHJILPYRGAB-XCBNKYQSSA-N 0 0 244.237 2.197 10 0 BEAERN COC(=O)[C@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000033465733 173808299 /nfs/dbraw/zinc/80/82/99/173808299.db2.gz UVLRKELKELKZIA-GFCCVEGCSA-N 0 0 236.311 2.061 10 0 BEAERN COC(=O)c1c(C)onc1-c1ccccc1OC ZINC000057536045 173841893 /nfs/dbraw/zinc/84/18/93/173841893.db2.gz SOQAHPVQGVNBTO-UHFFFAOYSA-N 0 0 247.250 2.445 10 0 BEAERN COC(=O)c1c(C)ccc2cccnc21 ZINC000095929769 173843356 /nfs/dbraw/zinc/84/33/56/173843356.db2.gz BCWPQMAXHIMUNX-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN COC(=O)c1cc(-c2ccc3c(c2)CCC3)[nH]n1 ZINC000009238463 173848243 /nfs/dbraw/zinc/84/82/43/173848243.db2.gz OTDJGWROTFUBGH-UHFFFAOYSA-N 0 0 242.278 2.352 10 0 BEAERN COC(=O)c1cc(OCc2ccco2)ccc1N ZINC000041079885 173861477 /nfs/dbraw/zinc/86/14/77/173861477.db2.gz OYGNNWRKZYEDTF-UHFFFAOYSA-N 0 0 247.250 2.227 10 0 BEAERN COC(=O)c1ccc(C[C@H](C)C(C)=O)cc1 ZINC000039117822 173880826 /nfs/dbraw/zinc/88/08/26/173880826.db2.gz UJEOZBUMSWVNBD-VIFPVBQESA-N 0 0 220.268 2.241 10 0 BEAERN COC(=O)c1ccc(N2C[C@H]3CC[C@@H]2C3)c(N)c1 ZINC000049725332 173882221 /nfs/dbraw/zinc/88/22/21/173882221.db2.gz ZZBRLAHSTFBZQD-GXSJLCMTSA-N 0 0 246.310 2.044 10 0 BEAERN COC(=O)c1ccc2cc(OC)ccc2c1O ZINC000082298460 173891661 /nfs/dbraw/zinc/89/16/61/173891661.db2.gz GDNBKBPVELKSGW-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN COC(=O)c1cccc(-c2ncccc2O)c1 ZINC000065339317 173892705 /nfs/dbraw/zinc/89/27/05/173892705.db2.gz FRKYLTKWTOKMAF-UHFFFAOYSA-N 0 0 229.235 2.241 10 0 BEAERN COC(=O)c1csc(NCCC(C)C)n1 ZINC000083356214 173914113 /nfs/dbraw/zinc/91/41/13/173914113.db2.gz OBIVVICROSPQCY-UHFFFAOYSA-N 0 0 228.317 2.388 10 0 BEAERN COC(=O)c1nc(C)sc1-c1ccccn1 ZINC000083239261 173915627 /nfs/dbraw/zinc/91/56/27/173915627.db2.gz PLIXPSJUNLKNCV-UHFFFAOYSA-N 0 0 234.280 2.300 10 0 BEAERN COC(=O)c1sc(C(F)(F)F)cc1N ZINC000039296043 173921966 /nfs/dbraw/zinc/92/19/66/173921966.db2.gz USFZWRFTPMMTFR-UHFFFAOYSA-N 0 0 225.191 2.136 10 0 BEAERN COC(=O)c1sc2ccc(N)cc2c1OC ZINC000021780651 173923928 /nfs/dbraw/zinc/92/39/28/173923928.db2.gz ZUZDYFCCNHHXGN-UHFFFAOYSA-N 0 0 237.280 2.279 10 0 BEAERN COC1(c2cc(O)cc(F)c2)CCOCC1 ZINC000036373401 174010423 /nfs/dbraw/zinc/01/04/23/174010423.db2.gz NBHXLSHYODTEPJ-UHFFFAOYSA-N 0 0 226.247 2.183 10 0 BEAERN COC1=NC=CC[C@]1(F)Br ZINC000055161682 174014811 /nfs/dbraw/zinc/01/48/11/174014811.db2.gz AKCMJZIQSAZODL-ZCFIWIBFSA-N 0 0 208.030 2.009 10 0 BEAERN COC1CCC(Nc2ccc(C(N)=O)cc2)CC1 ZINC000129812142 174025281 /nfs/dbraw/zinc/02/52/81/174025281.db2.gz CLRIZLUQLAMXRO-UHFFFAOYSA-N 0 0 248.326 2.155 10 0 BEAERN COCC(=O)Nc1nc2c(cccc2F)s1 ZINC000065004984 174060910 /nfs/dbraw/zinc/06/09/10/174060910.db2.gz BHZDWCXHXUWFCP-UHFFFAOYSA-N 0 0 240.259 2.020 10 0 BEAERN COCCCNC(=O)/C(C)=C\c1ccccc1 ZINC000002826768 174237174 /nfs/dbraw/zinc/23/71/74/174237174.db2.gz BPNXQDFXSDEFKS-QXMHVHEDSA-N 0 0 233.311 2.243 10 0 BEAERN COCCCNc1ccc(NC(C)=O)cc1 ZINC000037753631 174252247 /nfs/dbraw/zinc/25/22/47/174252247.db2.gz INAXQGSMVWTLHU-UHFFFAOYSA-N 0 0 222.288 2.093 10 0 BEAERN COCCNc1ccc2ccccc2n1 ZINC000020564104 174341839 /nfs/dbraw/zinc/34/18/39/174341839.db2.gz YVLUYIDOYQXEDK-UHFFFAOYSA-N 0 0 202.257 2.293 10 0 BEAERN COCCOc1ccc(Cl)cc1[C@@H](C)O ZINC000041256760 174368311 /nfs/dbraw/zinc/36/83/11/174368311.db2.gz NQNWLJSKSADLSF-MRVPVSSYSA-N 0 0 230.691 2.419 10 0 BEAERN COCC[C@@H](C)NC(=O)N1CCCC(C)(C)C1 ZINC000112747501 174380755 /nfs/dbraw/zinc/38/07/55/174380755.db2.gz VQHAKUDWMMOLPE-LLVKDONJSA-N 0 0 242.363 2.243 10 0 BEAERN COC[C@@H](C)C(=O)N1CCc2cccc(C)c21 ZINC000171452546 174435244 /nfs/dbraw/zinc/43/52/44/174435244.db2.gz XRSCUKIUCYRWAD-LLVKDONJSA-N 0 0 233.311 2.167 10 0 BEAERN COC[C@@H](C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000129511694 174436275 /nfs/dbraw/zinc/43/62/75/174436275.db2.gz YNZUVHKEJNMXDH-CHWSQXEVSA-N 0 0 249.354 2.497 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000103430442 174437773 /nfs/dbraw/zinc/43/77/73/174437773.db2.gz XDFJRBLJDJEPEW-PSASIEDQSA-N 0 0 225.288 2.048 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000103357119 174437975 /nfs/dbraw/zinc/43/79/75/174437975.db2.gz LWBCZIFSFOCQTO-SSDOTTSWSA-N 0 0 229.226 2.186 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000172874028 174438741 /nfs/dbraw/zinc/43/87/41/174438741.db2.gz NDFKNGMMOTXBCY-SNVBAGLBSA-N 0 0 246.310 2.399 10 0 BEAERN COC[C@@H](C)Nc1cc(OC)c(OC)cc1C ZINC000053173730 174461485 /nfs/dbraw/zinc/46/14/85/174461485.db2.gz VWIBAWDAAREGMN-SNVBAGLBSA-N 0 0 239.315 2.459 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)Cc1cccs1 ZINC000103378096 174527900 /nfs/dbraw/zinc/52/79/00/174527900.db2.gz ZSAHECJORDZLLN-VHSXEESVSA-N 0 0 241.356 2.078 10 0 BEAERN COC[C@H]1N=C(C)O[C@H]1c1ccccc1 ZINC000000032319 174613690 /nfs/dbraw/zinc/61/36/90/174613690.db2.gz AKFIXTAIQHJWAU-NEPJUHHUSA-N 0 0 205.257 2.191 10 0 BEAERN COCc1cccc(NC(=O)[C@H](C)COC)c1 ZINC000103373499 174632547 /nfs/dbraw/zinc/63/25/47/174632547.db2.gz IAEFPXKQBGQQQD-SNVBAGLBSA-N 0 0 237.299 2.054 10 0 BEAERN COCc1ccccc1N[C@H]1CCO[C@H]1C ZINC000134095794 174635530 /nfs/dbraw/zinc/63/55/30/174635530.db2.gz HMUNYQHISFOJFR-JQWIXIFHSA-N 0 0 221.300 2.422 10 0 BEAERN COCc1ccccc1N[C@@H]1CCO[C@@H]1C ZINC000134095156 174635688 /nfs/dbraw/zinc/63/56/88/174635688.db2.gz HMUNYQHISFOJFR-ZYHUDNBSSA-N 0 0 221.300 2.422 10 0 BEAERN COCc1noc(-c2ccc(Cl)cc2N)n1 ZINC000049672060 174647952 /nfs/dbraw/zinc/64/79/52/174647952.db2.gz ROWIPQDWXLEWJI-UHFFFAOYSA-N 0 0 239.662 2.119 10 0 BEAERN CONCc1sccc1Br ZINC000070270447 174669709 /nfs/dbraw/zinc/66/97/09/174669709.db2.gz HIQUGDLMBIIODW-UHFFFAOYSA-N 0 0 222.107 2.162 10 0 BEAERN COP(=O)(OC)Oc1ccccc1 ZINC000005701255 174669803 /nfs/dbraw/zinc/66/98/03/174669803.db2.gz XTBBZRRBOAVBRA-UHFFFAOYSA-N 0 0 202.146 2.466 10 0 BEAERN CO[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103054002 174806800 /nfs/dbraw/zinc/80/68/00/174806800.db2.gz VVSPVNWOCTZWEY-WOPDTQHZSA-N 0 0 227.348 2.352 10 0 BEAERN CO[C@H]1CCC[C@@H](Nc2nnc(C)s2)C1 ZINC000227759859 174881000 /nfs/dbraw/zinc/88/10/00/174881000.db2.gz CEIAOPMYDJZFKQ-BDAKNGLRSA-N 0 0 227.333 2.216 10 0 BEAERN CO[C@H]1CCC[C@H](Nc2nc(C)cc(C)n2)C1 ZINC000301773596 174882836 /nfs/dbraw/zinc/88/28/36/174882836.db2.gz KIJLHBHYSNOXBW-RYUDHWBXSA-N 0 0 235.331 2.463 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1ccnc(Cl)n1 ZINC000051850359 174883478 /nfs/dbraw/zinc/88/34/78/174883478.db2.gz YFUVQMQOAAUNBV-SFYZADRCSA-N 0 0 227.695 2.109 10 0 BEAERN CO[C@H]1CCC[C@H]1Nc1nc(C)cc(C)n1 ZINC000050374700 174883895 /nfs/dbraw/zinc/88/38/95/174883895.db2.gz RGUUTBDPDHKQCB-MNOVXSKESA-N 0 0 221.304 2.073 10 0 BEAERN COc1c2[nH]c(=O)sc2ccc1Cl ZINC000045237230 174929816 /nfs/dbraw/zinc/92/98/16/174929816.db2.gz DCVMYBZKNLGTMT-UHFFFAOYSA-N 0 0 215.661 2.252 10 0 BEAERN COc1c(Cl)cc(Cl)cc1NCCO ZINC000082606867 174929985 /nfs/dbraw/zinc/92/99/85/174929985.db2.gz PBKMUMMJKWUCNO-UHFFFAOYSA-N 0 0 236.098 2.406 10 0 BEAERN COc1cc(Cl)c(NC(N)=O)cc1Cl ZINC000082606197 174988773 /nfs/dbraw/zinc/98/87/73/174988773.db2.gz VKSWLMMJBYLRMZ-UHFFFAOYSA-N 0 0 235.070 2.493 10 0 BEAERN COc1cc(CC[C@H](C)O)cc(OC)c1OC ZINC000062153355 174978584 /nfs/dbraw/zinc/97/85/84/174978584.db2.gz HDLQVYBGXJUXNC-VIFPVBQESA-N 0 0 240.299 2.026 10 0 BEAERN COc1cc(Cl)ccc1C(=O)N1CCCO1 ZINC000125441394 174990163 /nfs/dbraw/zinc/99/01/63/174990163.db2.gz UPDKJUALWNXQNH-UHFFFAOYSA-N 0 0 241.674 2.126 10 0 BEAERN COc1cc(F)ccc1N[C@H]1CCC[C@@H]1O ZINC000049567117 174995392 /nfs/dbraw/zinc/99/53/92/174995392.db2.gz CNWUOKPKMXBGKA-ONGXEEELSA-N 0 0 225.263 2.160 10 0 BEAERN COc1cc(OC)nc(OCc2ccccc2)n1 ZINC000039121205 175012023 /nfs/dbraw/zinc/01/20/23/175012023.db2.gz NPVXJBKJPAEDDT-UHFFFAOYSA-N 0 0 246.266 2.073 10 0 BEAERN COc1cc2c(C=O)c[nH]c2c(OC)c1OC ZINC000058823831 175018458 /nfs/dbraw/zinc/01/84/58/175018458.db2.gz UVMHREXSVAYXBM-UHFFFAOYSA-N 0 0 235.239 2.006 10 0 BEAERN COc1cc2c(cc1Br)CCO2 ZINC000082322105 175020162 /nfs/dbraw/zinc/02/01/62/175020162.db2.gz ASVCOIVLSABECW-UHFFFAOYSA-N 0 0 229.073 2.393 10 0 BEAERN COc1cc2c(c(OC)c1)NC[C@H](C)C2 ZINC000011633225 175020266 /nfs/dbraw/zinc/02/02/66/175020266.db2.gz YQLFHIRTOHIXLX-MRVPVSSYSA-N 0 0 207.273 2.308 10 0 BEAERN COc1cc2c(c(OC)c1OC)C[C@@H](C)CN2 ZINC000011633218 175020785 /nfs/dbraw/zinc/02/07/85/175020785.db2.gz XNSOMBYZGJNQCU-MRVPVSSYSA-N 0 0 237.299 2.317 10 0 BEAERN COc1cc2c(cc1C)C(=O)[C@@H](O)C[C@H]2C ZINC000013459481 175021522 /nfs/dbraw/zinc/02/15/22/175021522.db2.gz BUJMPIXGZSXJHY-HQJQHLMTSA-N 0 0 220.268 2.054 10 0 BEAERN COc1cc2c(cc1O)C(=O)CC(C)(C)O2 ZINC000013459407 175022881 /nfs/dbraw/zinc/02/28/81/175022881.db2.gz LKLJXWDGEQKJPN-UHFFFAOYSA-N 0 0 222.240 2.145 10 0 BEAERN COc1cc2ncc(N)c(C)c2cc1OC ZINC000032252690 175028607 /nfs/dbraw/zinc/02/86/07/175028607.db2.gz WBADCENOPFXWQX-UHFFFAOYSA-N 0 0 218.256 2.143 10 0 BEAERN COc1cc2ncnc(Cl)c2nc1SC ZINC000071654851 175028750 /nfs/dbraw/zinc/02/87/50/175028750.db2.gz IMRUXVIDYMMOAG-UHFFFAOYSA-N 0 0 241.703 2.409 10 0 BEAERN COc1ccc(-c2cc(C)nc(N)n2)c(OC)c1 ZINC000052837938 175030577 /nfs/dbraw/zinc/03/05/77/175030577.db2.gz XZVISPMFSMQYFW-UHFFFAOYSA-N 0 0 245.282 2.051 10 0 BEAERN COc1ccc(-c2cc3c(ncnc3N)o2)cc1 ZINC000003057283 175032313 /nfs/dbraw/zinc/03/23/13/175032313.db2.gz DIJLFIHLUYAZCI-UHFFFAOYSA-N 0 0 241.250 2.481 10 0 BEAERN COc1ccc(-c2ccc(Cl)cn2)nn1 ZINC000072204285 175032883 /nfs/dbraw/zinc/03/28/83/175032883.db2.gz IXHNPVMONHVCSQ-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN COc1ccc(-c2csc(=NN)[nH]2)c(C)c1 ZINC000040545001 175037785 /nfs/dbraw/zinc/03/77/85/175037785.db2.gz SPQLENNSDXRNOD-UHFFFAOYSA-N 0 0 235.312 2.413 10 0 BEAERN COc1ccc(-c2ncc(C)o2)cc1N ZINC000042413491 175040846 /nfs/dbraw/zinc/04/08/46/175040846.db2.gz GMBYQLBUCRATLP-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(C2=NN(C)C(=O)C2C)cc1 ZINC000100231345 175041704 /nfs/dbraw/zinc/04/17/04/175041704.db2.gz KEMFMRYMINQYGR-UHFFFAOYSA-N 0 0 218.256 2.110 10 0 BEAERN COc1ccc(-c2ncco2)cc1OC ZINC000057492743 175041750 /nfs/dbraw/zinc/04/17/50/175041750.db2.gz RUIBAXLBYQJMKR-UHFFFAOYSA-N 0 0 205.213 2.359 10 0 BEAERN COc1ccc(-c2nncn2C(C)C)cc1N ZINC000104204813 175042201 /nfs/dbraw/zinc/04/22/01/175042201.db2.gz RVPDATVRVWWXAU-UHFFFAOYSA-N 0 0 232.287 2.117 10 0 BEAERN COc1ccc(-c2onc(C)c2CO)cc1 ZINC000039119910 175043348 /nfs/dbraw/zinc/04/33/48/175043348.db2.gz CWHBZJTWGGZHLJ-UHFFFAOYSA-N 0 0 219.240 2.151 10 0 BEAERN COc1ccc(/C=C/[C@@H](C)O)cc1OC ZINC000077301530 175047614 /nfs/dbraw/zinc/04/76/14/175047614.db2.gz CHBJKIQNRSVFBW-XNPJLODASA-N 0 0 208.257 2.098 10 0 BEAERN COc1ccc(C(=O)NC2CCCCC2)c(N)c1 ZINC000082697657 175058355 /nfs/dbraw/zinc/05/83/55/175058355.db2.gz IRHMIFNOPQVGCH-UHFFFAOYSA-N 0 0 248.326 2.340 10 0 BEAERN COc1ccc(C(C)(C)C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000162118323 175067147 /nfs/dbraw/zinc/06/71/47/175067147.db2.gz KMMZNLQJNIVJMM-GWCFXTLKSA-N 0 0 247.338 2.497 10 0 BEAERN COc1ccc(C)cc1-c1nnc([C@H](C)N)o1 ZINC000052944058 175072255 /nfs/dbraw/zinc/07/22/55/175072255.db2.gz RPVBTMMTUQJTNX-QMMMGPOBSA-N 0 0 233.271 2.073 10 0 BEAERN COc1ccc(C2(C)OCCO2)cc1F ZINC000057496637 175083698 /nfs/dbraw/zinc/08/36/98/175083698.db2.gz FXUZMUULBSZRRH-UHFFFAOYSA-N 0 0 212.220 2.054 10 0 BEAERN COc1ccc(CC(=O)c2ccc(C)cc2)nn1 ZINC000090548203 175087073 /nfs/dbraw/zinc/08/70/73/175087073.db2.gz CPGFQMLEVPSNBT-UHFFFAOYSA-N 0 0 242.278 2.219 10 0 BEAERN COc1ccc(CC(=O)[C@@H]2CCCOC2)cc1 ZINC000062236729 175087172 /nfs/dbraw/zinc/08/71/72/175087172.db2.gz BBSZYQYHRHVKFD-GFCCVEGCSA-N 0 0 234.295 2.233 10 0 BEAERN COc1ccc(CCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075522269 175088745 /nfs/dbraw/zinc/08/87/45/175088745.db2.gz IMGQEPUDIDTADT-MFKMUULPSA-N 0 0 233.311 2.152 10 0 BEAERN COc1ccc(CNC(F)(F)F)cc1 ZINC000095076367 175105124 /nfs/dbraw/zinc/10/51/24/175105124.db2.gz DCPQKMDXZDWTGF-UHFFFAOYSA-N 0 0 205.179 2.305 10 0 BEAERN COc1ccc(COc2ccc(N)cn2)cc1 ZINC000019965612 175114719 /nfs/dbraw/zinc/11/47/19/175114719.db2.gz KEAZIEPLYHMOGO-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1ccc(C[C@H](C)Nc2cnn(C)c2)cc1 ZINC000035737388 175117311 /nfs/dbraw/zinc/11/73/11/175117311.db2.gz JFWZFSSSIOIHMP-NSHDSACASA-N 0 0 245.326 2.472 10 0 BEAERN COc1ccc(Cl)c2c1[C@@H](C)C(=O)N2 ZINC000082595186 175119011 /nfs/dbraw/zinc/11/90/11/175119011.db2.gz QDQHEGPAYBOCPW-RXMQYKEDSA-N 0 0 211.648 2.404 10 0 BEAERN COc1ccc(F)cc1-c1cc(C)nc(N)n1 ZINC000071536761 175127755 /nfs/dbraw/zinc/12/77/55/175127755.db2.gz PDYLEWKEJZKMJZ-UHFFFAOYSA-N 0 0 233.246 2.182 10 0 BEAERN COc1ccc(N)c(NC(=O)c2ccoc2)c1 ZINC000063209987 175137001 /nfs/dbraw/zinc/13/70/01/175137001.db2.gz PZFPUUCMOJMCBF-UHFFFAOYSA-N 0 0 232.239 2.123 10 0 BEAERN COc1ccc(N)c(C(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000037846993 175137261 /nfs/dbraw/zinc/13/72/61/175137261.db2.gz JDGVECOIHYRRBZ-VIFPVBQESA-N 0 0 248.326 2.148 10 0 BEAERN COc1ccc(N)c(C(=O)N[C@@H](C)C(C)C)c1 ZINC000037846875 175137341 /nfs/dbraw/zinc/13/73/41/175137341.db2.gz BSSMAGZKQROZKP-VIFPVBQESA-N 0 0 236.315 2.052 10 0 BEAERN COc1ccc(N)cc1-c1nccs1 ZINC000082532627 175137933 /nfs/dbraw/zinc/13/79/33/175137933.db2.gz HYHAQFNWQCLDDL-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(N2CCn3c(=S)[nH]nc32)cc1 ZINC000026421927 175139597 /nfs/dbraw/zinc/13/95/97/175139597.db2.gz BEQIAFAWTYLGGU-UHFFFAOYSA-N 0 0 248.311 2.101 10 0 BEAERN COc1ccc(NC2CCS(=O)CC2)cc1 ZINC000042335818 175149580 /nfs/dbraw/zinc/14/95/80/175149580.db2.gz XLKGGSVINRHMFY-UHFFFAOYSA-N 0 0 239.340 2.018 10 0 BEAERN COc1ccc(NCc2ccnn2C)cc1C ZINC000049528469 175152507 /nfs/dbraw/zinc/15/25/07/175152507.db2.gz AYPFCEQZOGSABY-UHFFFAOYSA-N 0 0 231.299 2.349 10 0 BEAERN COc1ccc(N[C@@H](C(N)=O)C2CCCC2)cc1 ZINC000050272521 175153484 /nfs/dbraw/zinc/15/34/84/175153484.db2.gz USGVLULPZRZFMG-CYBMUJFWSA-N 0 0 248.326 2.151 10 0 BEAERN COc1ccc(N[C@H]2CCC[C@H]2O)cc1C ZINC000049530113 175155319 /nfs/dbraw/zinc/15/53/19/175155319.db2.gz URCJFCYJOZMNQW-NWDGAFQWSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000085628276 175156253 /nfs/dbraw/zinc/15/62/53/175156253.db2.gz BMYKOIAHPUHJQE-DRZSPHRISA-N 0 0 248.326 2.316 10 0 BEAERN COc1ccc(OC)c(-c2nc(C(C)=O)c[nH]2)c1 ZINC000041297027 175163644 /nfs/dbraw/zinc/16/36/44/175163644.db2.gz TUPJOQVLYJLOAZ-UHFFFAOYSA-N 0 0 246.266 2.297 10 0 BEAERN COc1ccc(OC)c(/C=C/[C@@H](C)O)c1 ZINC000077301536 175163929 /nfs/dbraw/zinc/16/39/29/175163929.db2.gz CHKRJXAFQRHRSD-XNPJLODASA-N 0 0 208.257 2.098 10 0 BEAERN COc1ccc(OC)c(C=O)c1Br ZINC000059514205 175164572 /nfs/dbraw/zinc/16/45/72/175164572.db2.gz DVXQFFXHEVVPIS-UHFFFAOYSA-N 0 0 245.072 2.279 10 0 BEAERN COc1ccc(OC)c(C(=O)CCC(C)=O)c1 ZINC000033465673 175164818 /nfs/dbraw/zinc/16/48/18/175164818.db2.gz PLGVQOWTCHQVLM-UHFFFAOYSA-N 0 0 236.267 2.256 10 0 BEAERN COc1ccc(OC)c(NCc2[nH]cnc2C)c1 ZINC000054793664 175166692 /nfs/dbraw/zinc/16/66/92/175166692.db2.gz GEMIAYGLZAIOAJ-UHFFFAOYSA-N 0 0 247.298 2.347 10 0 BEAERN COc1ccc(OC)c([C@H](C)n2nccc2N)c1 ZINC000019689145 175169164 /nfs/dbraw/zinc/16/91/64/175169164.db2.gz UYWHZWQNOTZNES-VIFPVBQESA-N 0 0 247.298 2.092 10 0 BEAERN COc1ccc(OC)c2c(C=O)nccc12 ZINC000034224718 175169895 /nfs/dbraw/zinc/16/98/95/175169895.db2.gz GVOXDXIMNCSPDH-UHFFFAOYSA-N 0 0 217.224 2.065 10 0 BEAERN COc1ccc(Oc2cncnc2)cc1 ZINC000059707603 175173576 /nfs/dbraw/zinc/17/35/76/175173576.db2.gz XRUHYKRNHQSCLR-UHFFFAOYSA-N 0 0 202.213 2.278 10 0 BEAERN COc1ccc([C@@H](N)c2ccco2)c(OC)c1 ZINC000035379815 175180164 /nfs/dbraw/zinc/18/01/64/175180164.db2.gz FARDEFCHDNARQV-CYBMUJFWSA-N 0 0 233.267 2.345 10 0 BEAERN COc1ccc([C@H](N)C(F)F)cc1F ZINC000087688370 175191166 /nfs/dbraw/zinc/19/11/66/175191166.db2.gz BSJSZDJLQOBJEX-QMMMGPOBSA-N 0 0 205.179 2.099 10 0 BEAERN COc1ccc([C@H]([NH3+])CCCC(=O)[O-])cc1C ZINC000037289359 175192295 /nfs/dbraw/zinc/19/22/95/175192295.db2.gz LZTIQKGKXWOMHT-LLVKDONJSA-N 0 0 237.299 2.258 10 0 BEAERN COc1ccc([C@H]2CC[C@@H](O)C2)cc1OC ZINC000057514793 175195531 /nfs/dbraw/zinc/19/55/31/175195531.db2.gz WTZGNIGPACXIPN-GXSJLCMTSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc([C@H]2OCOC[C@@H]2C)cc1 ZINC000001599431 175198977 /nfs/dbraw/zinc/19/89/77/175198977.db2.gz ZHEZIDHIKDDZLJ-CABZTGNLSA-N 0 0 208.257 2.377 10 0 BEAERN COc1ccc2c(Cl)nncc2c1OC ZINC000066347613 175204658 /nfs/dbraw/zinc/20/46/58/175204658.db2.gz VCMPXXMXZDTFIS-UHFFFAOYSA-N 0 0 224.647 2.300 10 0 BEAERN COc1ccc2c(N)c(Cl)cnc2c1 ZINC000041702208 175205082 /nfs/dbraw/zinc/20/50/82/175205082.db2.gz VXSUVLMLVCTWFH-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN COc1ccc2c(c1)C1=CCC[C@@H]1C(=O)O2 ZINC000085345403 175206680 /nfs/dbraw/zinc/20/66/80/175206680.db2.gz DZNJJXCAOYABQX-JTQLQIEISA-N 0 0 216.236 2.408 10 0 BEAERN COc1ccc2cccc(CONC(C)=O)c2c1 ZINC000000021041 175225607 /nfs/dbraw/zinc/22/56/07/175225607.db2.gz LPLXHIFOETWXPZ-UHFFFAOYSA-N 0 0 245.278 2.416 10 0 BEAERN COc1ccc2[nH]c(=O)c(C(F)(F)F)nc2c1 ZINC000032063258 175228839 /nfs/dbraw/zinc/22/88/39/175228839.db2.gz QNSDUAXOFPWEBD-UHFFFAOYSA-N 0 0 244.172 2.363 10 0 BEAERN COc1ccc2nc(N(C)C)c(C=O)cc2c1 ZINC000025778682 175229455 /nfs/dbraw/zinc/22/94/55/175229455.db2.gz UXDSZSUIVKHZKM-UHFFFAOYSA-N 0 0 230.267 2.122 10 0 BEAERN COc1ccc2nc([C@H](C)O)sc2c1 ZINC000075852905 175230234 /nfs/dbraw/zinc/23/02/34/175230234.db2.gz NYWFLGSUIFQCTO-LURJTMIESA-N 0 0 209.270 2.358 10 0 BEAERN COc1cccc(CC[C@H](C)O)c1OC ZINC000062153353 175254038 /nfs/dbraw/zinc/25/40/38/175254038.db2.gz SWNGVIBJXSNDMW-VIFPVBQESA-N 0 0 210.273 2.017 10 0 BEAERN COc1cccc(CN2[C@H](C)COC[C@H]2C)c1 ZINC000077657892 175261422 /nfs/dbraw/zinc/26/14/22/175261422.db2.gz PPJYGCRFUCZLTA-VXGBXAGGSA-N 0 0 235.327 2.304 10 0 BEAERN COc1cccc(CNc2cn[nH]c2)c1OC ZINC000035763770 175268792 /nfs/dbraw/zinc/26/87/92/175268792.db2.gz IHUPIUSVYCLDEQ-UHFFFAOYSA-N 0 0 233.271 2.039 10 0 BEAERN COc1cccc(OC)c1OCCCC(C)=O ZINC000037329936 175281603 /nfs/dbraw/zinc/28/16/03/175281603.db2.gz WAVRRBHUECPQLW-UHFFFAOYSA-N 0 0 238.283 2.452 10 0 BEAERN COc1cccc(OCCNCC(F)(F)F)c1 ZINC000053565644 175283381 /nfs/dbraw/zinc/28/33/81/175283381.db2.gz KQAZKLHHJRFNBH-UHFFFAOYSA-N 0 0 249.232 2.226 10 0 BEAERN COc1cccc(Oc2cc(N)ccn2)c1 ZINC000043569382 175284827 /nfs/dbraw/zinc/28/48/27/175284827.db2.gz PDIYHQXSNHWUMQ-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1cccc(Sc2ncc(N)cn2)c1 ZINC000040456192 175286021 /nfs/dbraw/zinc/28/60/21/175286021.db2.gz MRKMOWXMMRXZJW-UHFFFAOYSA-N 0 0 233.296 2.219 10 0 BEAERN COc1cccc([C@@H](O)Cn2nc(C)cc2C)c1 ZINC000041297302 175289687 /nfs/dbraw/zinc/28/96/87/175289687.db2.gz LBCYOEMTIKMNCG-AWEZNQCLSA-N 0 0 246.310 2.242 10 0 BEAERN COc1cccc([C@@H](O)c2cncc(F)c2)c1 ZINC000049577015 175289711 /nfs/dbraw/zinc/28/97/11/175289711.db2.gz JPKNKWOZHQOWGK-CYBMUJFWSA-N 0 0 233.242 2.311 10 0 BEAERN COc1cccc([C@@H](O)c2ccc(N)cc2)c1 ZINC000019780077 175289797 /nfs/dbraw/zinc/28/97/97/175289797.db2.gz NLFFJWJHBDQEOD-AWEZNQCLSA-N 0 0 229.279 2.359 10 0 BEAERN COc1cccc([C@@](C)(O)c2cncc(F)c2)c1 ZINC000049576975 175291680 /nfs/dbraw/zinc/29/16/80/175291680.db2.gz WVULFEYCDFHKFY-CQSZACIVSA-N 0 0 247.269 2.485 10 0 BEAERN COc1cccc2c1CC[C@H]2c1ncc[nH]1 ZINC000029046382 175302993 /nfs/dbraw/zinc/30/29/93/175302993.db2.gz IEVQENKCCRQYBX-LLVKDONJSA-N 0 0 214.268 2.496 10 0 BEAERN COc1cccc2c1CCc1c[nH]nc1-2 ZINC000040505116 175303116 /nfs/dbraw/zinc/30/31/16/175303116.db2.gz NLVNNAJEURBELF-UHFFFAOYSA-N 0 0 200.241 2.184 10 0 BEAERN COc1ccccc1-c1csc(CO)n1 ZINC000045206537 175310102 /nfs/dbraw/zinc/31/01/02/175310102.db2.gz SFTLVQLFBXCYGE-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1ccccc1CCN(C)C(=O)C(C)C ZINC000036111411 175322985 /nfs/dbraw/zinc/32/29/85/175322985.db2.gz GTZSSVMFOVYIGC-UHFFFAOYSA-N 0 0 235.327 2.352 10 0 BEAERN COc1ccccc1CN(C)C(=O)N[C@H]1C[C@H]1C ZINC000170809159 175324938 /nfs/dbraw/zinc/32/49/38/175324938.db2.gz XZQUVXKPGLIDMS-PWSUYJOCSA-N 0 0 248.326 2.245 10 0 BEAERN COc1ccccc1CN[C@@H](C)c1cc[nH]n1 ZINC000037906379 175330088 /nfs/dbraw/zinc/33/00/88/175330088.db2.gz UWMQQKCALCCCFO-JTQLQIEISA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccccc1CNc1ncccc1N ZINC000020213639 175331537 /nfs/dbraw/zinc/33/15/37/175331537.db2.gz ACTJNHNJWILCHB-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN COc1ccccc1C[C@@H]1CCC[C@H]1O ZINC000043656334 175332422 /nfs/dbraw/zinc/33/24/22/175332422.db2.gz BEZPHADQLNSEQG-CMPLNLGQSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccccc1C[C@H](N)C(F)(F)F ZINC000082366880 175334232 /nfs/dbraw/zinc/33/42/32/175334232.db2.gz QBTHFIYAMWNLPG-VIFPVBQESA-N 0 0 219.206 2.127 10 0 BEAERN COc1ccccc1NCC(C)(C)CO ZINC000082711378 175337597 /nfs/dbraw/zinc/33/75/97/175337597.db2.gz QAKSDWICOBOSLZ-UHFFFAOYSA-N 0 0 209.289 2.126 10 0 BEAERN COc1ccccc1N[C@H]1CCCC[C@@H]1O ZINC000037690995 175338834 /nfs/dbraw/zinc/33/88/34/175338834.db2.gz BEQQXECCUXTFMR-JQWIXIFHSA-N 0 0 221.300 2.411 10 0 BEAERN COc1ccccc1Nc1c(N)c(C)nn1C ZINC000036749126 175339584 /nfs/dbraw/zinc/33/95/84/175339584.db2.gz FSMMXMGGGVDXBI-UHFFFAOYSA-N 0 0 232.287 2.063 10 0 BEAERN COc1ccnc(N[C@@H]2COc3ccccc32)n1 ZINC000122186149 175367328 /nfs/dbraw/zinc/36/73/28/175367328.db2.gz IOHSUXWRFOQSKZ-SNVBAGLBSA-N 0 0 243.266 2.031 10 0 BEAERN COc1ccnc(N[C@H](C)c2ccco2)n1 ZINC000162295956 175367429 /nfs/dbraw/zinc/36/74/29/175367429.db2.gz BALBZUHFGBBYPI-MRVPVSSYSA-N 0 0 219.244 2.251 10 0 BEAERN COc1ccnc(N[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000049056119 175367649 /nfs/dbraw/zinc/36/76/49/175367649.db2.gz ZSJAMYWYPFTEJN-VXGBXAGGSA-N 0 0 241.294 2.453 10 0 BEAERN COc1ccnc(Oc2cccc([C@H](C)O)c2)n1 ZINC000058825655 175368142 /nfs/dbraw/zinc/36/81/42/175368142.db2.gz UXAKBWXFGNMYOU-VIFPVBQESA-N 0 0 246.266 2.331 10 0 BEAERN COc1cnc(-c2cc(C)[nH]n2)c2[nH]ccc21 ZINC000089213091 175380711 /nfs/dbraw/zinc/38/07/11/175380711.db2.gz JEHRJNWKSDEMJX-UHFFFAOYSA-N 0 0 228.255 2.270 10 0 BEAERN COc1cncc(OC2CC2)c1SC ZINC000095731164 175386643 /nfs/dbraw/zinc/38/66/43/175386643.db2.gz HLMSUDUNJUJXJA-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1nc(N2CCC[C@H](C)CC2)ccc1N ZINC000104367325 175392572 /nfs/dbraw/zinc/39/25/72/175392572.db2.gz RZCWFLOXGOXXPK-JTQLQIEISA-N 0 0 235.331 2.299 10 0 BEAERN COc1nc(OC2CCCCC2)ccc1N ZINC000037068253 175396406 /nfs/dbraw/zinc/39/64/06/175396406.db2.gz IBYJXDOPLARDIV-UHFFFAOYSA-N 0 0 222.288 2.384 10 0 BEAERN COc1nc(SC)ccc1OC1CC1 ZINC000095731246 175396886 /nfs/dbraw/zinc/39/68/86/175396886.db2.gz QQWXOJDOMCZDND-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1nccc(NCc2ccc(C)s2)n1 ZINC000275231072 175404079 /nfs/dbraw/zinc/40/40/79/175404079.db2.gz LPQPDTGQQBJEJN-UHFFFAOYSA-N 0 0 235.312 2.467 10 0 BEAERN CSCCC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000122363838 175468671 /nfs/dbraw/zinc/46/86/71/175468671.db2.gz RHCZLRFNFLPLMH-SECBINFHSA-N 0 0 215.362 2.434 10 0 BEAERN CSC[C@@H](C)Nc1ccc(SC)nn1 ZINC000301358474 175513790 /nfs/dbraw/zinc/51/37/90/175513790.db2.gz ZFOFWJCFKHBNDW-SSDOTTSWSA-N 0 0 229.374 2.362 10 0 BEAERN CSc1nsc(NCC(C)C)n1 ZINC000075825620 175593347 /nfs/dbraw/zinc/59/33/47/175593347.db2.gz ZVSXOTNSWQNREC-UHFFFAOYSA-N 0 0 203.336 2.328 10 0 BEAERN C[C@H](C(N)=S)C(=O)Nc1ccccc1Cl ZINC000044831644 175621532 /nfs/dbraw/zinc/62/15/32/175621532.db2.gz PFEOXVOWJSDMJT-ZCFIWIBFSA-N 0 0 242.731 2.201 10 0 BEAERN C[C@@H](O)CCNC(=O)C[C@H](C)C1CCCCC1 ZINC000118721606 175641809 /nfs/dbraw/zinc/64/18/09/175641809.db2.gz KSVMFRWNYPDRCO-NWDGAFQWSA-N 0 0 241.375 2.480 10 0 BEAERN C[C@@H](CC(N)=O)Nc1ccccc1C(F)(F)F ZINC000041296951 175654445 /nfs/dbraw/zinc/65/44/45/175654445.db2.gz CYQKYJBXXVNJGD-ZETCQYMHSA-N 0 0 246.232 2.381 10 0 BEAERN C[C@@H](CSc1ccc(N)cc1Cl)C(N)=O ZINC000037227677 175764518 /nfs/dbraw/zinc/76/45/18/175764518.db2.gz NPFVJMVAOWILEN-LURJTMIESA-N 0 0 244.747 2.136 10 0 BEAERN C[C@@H](N)c1nnc(-c2cccs2)s1 ZINC000083297053 175822147 /nfs/dbraw/zinc/82/21/47/175822147.db2.gz FQOZZWRPHWMFFO-RXMQYKEDSA-N 0 0 211.315 2.286 10 0 BEAERN C[C@@H](NC(=O)C(C)(C)Br)C1CC1 ZINC000041722426 175824155 /nfs/dbraw/zinc/82/41/55/175824155.db2.gz OISGQJMKLFMSOH-ZCFIWIBFSA-N 0 0 234.137 2.075 10 0 BEAERN C[C@@H](NC(=O)Nc1ccsc1)[C@H]1CCCO1 ZINC000157246800 175841678 /nfs/dbraw/zinc/84/16/78/175841678.db2.gz BHEOLDQKCSXLNV-PSASIEDQSA-N 0 0 240.328 2.437 10 0 BEAERN C[C@@H](NC(=O)c1ccccc1N)c1cccnc1 ZINC000035691878 175850366 /nfs/dbraw/zinc/85/03/66/175850366.db2.gz XVDWORSGVAKQIS-SNVBAGLBSA-N 0 0 241.294 2.155 10 0 BEAERN C[C@@H](NCc1cnccn1)c1ccccc1F ZINC000054766465 175906291 /nfs/dbraw/zinc/90/62/91/175906291.db2.gz DDCVWXZZOIPIID-SNVBAGLBSA-N 0 0 231.274 2.467 10 0 BEAERN C[C@@H](Nc1ccc(Cl)cc1)C(=O)N(C)C ZINC000058342098 175930695 /nfs/dbraw/zinc/93/06/95/175930695.db2.gz ZELZJSUYNBDXEO-MRVPVSSYSA-N 0 0 226.707 2.229 10 0 BEAERN C[C@@H](O)c1cnc(-c2cccnc2)s1 ZINC000054160683 175999798 /nfs/dbraw/zinc/99/97/98/175999798.db2.gz GTSYDKJIKNHPEQ-SSDOTTSWSA-N 0 0 206.270 2.258 10 0 BEAERN C[C@@H](O)c1ncc(-c2cccc(N)c2)s1 ZINC000117857396 176001235 /nfs/dbraw/zinc/00/12/35/176001235.db2.gz BVHHHVCKCPYOMK-SSDOTTSWSA-N 0 0 220.297 2.446 10 0 BEAERN C[C@@H](Oc1ccc2c(c1)CCC2)C(N)=S ZINC000041238145 176005121 /nfs/dbraw/zinc/00/51/21/176005121.db2.gz YYVGNANCJWPEDM-MRVPVSSYSA-N 0 0 221.325 2.229 10 0 BEAERN C[C@@H](SC[C@H](O)CO)c1ccc(F)cc1F ZINC000177444060 176008894 /nfs/dbraw/zinc/00/88/94/176008894.db2.gz UKGTWPZOMVQTGH-VXNVDRBHSA-N 0 0 248.294 2.112 10 0 BEAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCO1 ZINC000038089978 176016042 /nfs/dbraw/zinc/01/60/42/176016042.db2.gz NGDIEAUAXGLRNR-GWCFXTLKSA-N 0 0 249.310 2.091 10 0 BEAERN C[C@@H](c1nccs1)N1CCCC[C@@H]1C(=O)[O-] ZINC000083404297 176039338 /nfs/dbraw/zinc/03/93/38/176039338.db2.gz WJWXTQLUJPBBNW-DTWKUNHWSA-N 0 0 240.328 2.143 10 0 BEAERN C[C@@H]1C(=O)NCc2c(Br)cccc21 ZINC000117312523 176047098 /nfs/dbraw/zinc/04/70/98/176047098.db2.gz RRIIVFDKRXNTJX-LURJTMIESA-N 0 0 240.100 2.182 10 0 BEAERN C[C@@H]1CC=CC[C@H]1c1nc(-c2ncon2)no1 ZINC000329640387 176061450 /nfs/dbraw/zinc/06/14/50/176061450.db2.gz ZJKAKMCABLITHL-HTQZYQBOSA-N 0 0 232.243 2.189 10 0 BEAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(N)cn1C ZINC000042270969 176077915 /nfs/dbraw/zinc/07/79/15/176077915.db2.gz XCLGUZZXSRPDSU-PWSUYJOCSA-N 0 0 249.358 2.258 10 0 BEAERN C[C@@H]1CCCC[C@@H]1OCCn1cc(N)cn1 ZINC000050615110 176082414 /nfs/dbraw/zinc/08/24/14/176082414.db2.gz GDTRYUIQHXLPRV-PWSUYJOCSA-N 0 0 223.320 2.061 10 0 BEAERN C[C@@H]1CCCC[C@H]1N(C)c1ncc(N)cn1 ZINC000042603377 176086978 /nfs/dbraw/zinc/08/69/78/176086978.db2.gz WJBJLOWFLSLRMG-MWLCHTKSSA-N 0 0 220.320 2.074 10 0 BEAERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000123455498 176087212 /nfs/dbraw/zinc/08/72/12/176087212.db2.gz ONOASHVESGJOOK-DDHJBXDOSA-N 0 0 240.347 2.042 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2ccc3c[nH]nc3c2)C1 ZINC000060393100 176095702 /nfs/dbraw/zinc/09/57/02/176095702.db2.gz BMYPBDFIPVEBDF-SNVBAGLBSA-N 0 0 243.310 2.435 10 0 BEAERN C[C@@H]1CCCN(C(=O)c2cccc(F)c2N)C1 ZINC000054206014 176095929 /nfs/dbraw/zinc/09/59/29/176095929.db2.gz HTBGMNNSWFCKRS-SECBINFHSA-N 0 0 236.290 2.280 10 0 BEAERN C[C@@H]1CCCN(c2ccc(N)c3nonc32)CC1 ZINC000104346214 176102893 /nfs/dbraw/zinc/10/28/93/176102893.db2.gz WZCYXAJOUQVIQT-SECBINFHSA-N 0 0 246.314 2.431 10 0 BEAERN C[C@@H]1CCCN1CC(=O)c1ccc2c(c1)OCO2 ZINC000037911658 176108984 /nfs/dbraw/zinc/10/89/84/176108984.db2.gz AYGUJJSAYIZINJ-SNVBAGLBSA-N 0 0 247.294 2.082 10 0 BEAERN C[C@@H]1CCC[C@@H](Oc2ccc(N)c(C(N)=O)c2)C1 ZINC000041670297 176125434 /nfs/dbraw/zinc/12/54/34/176125434.db2.gz FKPMJIZLNCJCEP-NXEZZACHSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000300240809 176125772 /nfs/dbraw/zinc/12/57/72/176125772.db2.gz YKPGEUIAYSIPLR-MROQNXINSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@](C)(O)CC1 ZINC000300306320 176126299 /nfs/dbraw/zinc/12/62/99/176126299.db2.gz FNJCPICNNROQQO-DYEKYZERSA-N 0 0 239.359 2.186 10 0 BEAERN C[C@@H]1CCC[C@H](Nc2ncccc2C(N)=O)C1 ZINC000025571731 176145979 /nfs/dbraw/zinc/14/59/79/176145979.db2.gz GIWIOLFDQCHVSR-ZJUUUORDSA-N 0 0 233.315 2.171 10 0 BEAERN C[C@@H]1CCC[C@H](OCc2nnsc2N)C1 ZINC000050832432 176146030 /nfs/dbraw/zinc/14/60/30/176146030.db2.gz PFZXZKBONJMOJN-SFYZADRCSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@@H]1CC[N@H+](Cc2cccnc2C(=O)[O-])[C@H](C)C1 ZINC000062753004 176175653 /nfs/dbraw/zinc/17/56/53/176175653.db2.gz BVQGRZSWLJSRPA-GHMZBOCLSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@@H]1CCO[C@H](COc2ccccc2)O1 ZINC000038648048 176192662 /nfs/dbraw/zinc/19/26/62/176192662.db2.gz ACCCAQVFLWDUTB-PWSUYJOCSA-N 0 0 208.257 2.217 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2nc3ccccc3[nH]2)O1 ZINC000124877868 176196246 /nfs/dbraw/zinc/19/62/46/176196246.db2.gz NIFKPGVIIBISER-KCJUWKMLSA-N 0 0 245.282 2.069 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2)O1 ZINC000121664921 176220086 /nfs/dbraw/zinc/22/00/86/176220086.db2.gz LQWNGDOAGQQLSW-DGCLKSJQSA-N 0 0 233.311 2.213 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2F)O1 ZINC000122011832 176221227 /nfs/dbraw/zinc/22/12/27/176221227.db2.gz YBKBJIAFHOGTBC-RDDDGLTNSA-N 0 0 241.237 2.471 10 0 BEAERN C[C@@H]1CCc2cc3c(cc2[C@@H](O)C1)OCCO3 ZINC000061831965 176239812 /nfs/dbraw/zinc/23/98/12/176239812.db2.gz MDCDSXQVQFATAW-SKDRFNHKSA-N 0 0 234.295 2.464 10 0 BEAERN C[C@@H]1COC[C@@H](C)N1Cc1ccc2c[nH]nc2c1 ZINC000129984294 176346982 /nfs/dbraw/zinc/34/69/82/176346982.db2.gz NENXEMMDQQJZEC-GHMZBOCLSA-N 0 0 245.326 2.172 10 0 BEAERN C[C@@H]1C[C@@H](N(C)C(=O)C2CCCC2)CC[N@@H+]1C ZINC000123694488 176371187 /nfs/dbraw/zinc/37/11/87/176371187.db2.gz GJZOCIPZHDGIPC-YPMHNXCESA-N 0 0 238.375 2.118 10 0 BEAERN C[C@@H]1C[C@@H]1CN(C)C(=O)c1cc(F)ccc1N ZINC000104419054 176392322 /nfs/dbraw/zinc/39/23/22/176392322.db2.gz DZMOXEKEGNJMNK-RKDXNWHRSA-N 0 0 236.290 2.136 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000090523125 176398341 /nfs/dbraw/zinc/39/83/41/176398341.db2.gz CCJUUDRZLPROGC-DWNUIHGBSA-N 0 0 236.702 2.273 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)COc1ccccc1Cl ZINC000075528911 176399319 /nfs/dbraw/zinc/39/93/19/176399319.db2.gz RIAFQAMFCWCXJL-SCZZXKLOSA-N 0 0 239.702 2.243 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000075519061 176399843 /nfs/dbraw/zinc/39/98/43/176399843.db2.gz XPTYDEZYTRWRGM-PWSUYJOCSA-N 0 0 217.312 2.489 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000075520278 176403331 /nfs/dbraw/zinc/40/33/31/176403331.db2.gz RNZBMSTWOGRQSL-RNCFNFMXSA-N 0 0 226.279 2.373 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccccc1C(N)=S ZINC000052292544 176447074 /nfs/dbraw/zinc/44/70/74/176447074.db2.gz ARRSGTBENRXIPG-GMSGAONNSA-N 0 0 206.314 2.141 10 0 BEAERN C[C@@H]1C[C@H]1Nc1ccc(C(N)=S)cc1F ZINC000052292585 176447435 /nfs/dbraw/zinc/44/74/35/176447435.db2.gz YSMGHKKRUPKGCD-LHLIQPBNSA-N 0 0 224.304 2.280 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000190223127 176463731 /nfs/dbraw/zinc/46/37/31/176463731.db2.gz RYBPFJQQMQTOPG-AAEUAGOBSA-N 0 0 233.311 2.118 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncnc2ccccc21 ZINC000150027922 176474723 /nfs/dbraw/zinc/47/47/23/176474723.db2.gz HDANHKZJPCGWAG-ONGXEEELSA-N 0 0 229.283 2.219 10 0 BEAERN C[C@@H]1c2[nH]c3ccccc3c2CCN1O ZINC000005883307 176505236 /nfs/dbraw/zinc/50/52/36/176505236.db2.gz XWSYHMGGUVKDIH-MRVPVSSYSA-N 0 0 202.257 2.476 10 0 BEAERN C[C@@]([NH3+])(Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000238452208 176511793 /nfs/dbraw/zinc/51/17/93/176511793.db2.gz SHXAYBUKDCBRIR-SNVBAGLBSA-N 0 0 248.109 2.338 10 0 BEAERN C[C@@]([NH2+]C1CCCCC1)(C(=O)[O-])C1CC1 ZINC000037971650 176512704 /nfs/dbraw/zinc/51/27/04/176512704.db2.gz COOLEHXZOVYJGK-LBPRGKRZSA-N 0 0 211.305 2.162 10 0 BEAERN C[C@H](NC(=O)c1ccc(F)c(N)c1)c1ccco1 ZINC000035738402 176817326 /nfs/dbraw/zinc/81/73/26/176817326.db2.gz QWPXKNZUTKJOHI-QMMMGPOBSA-N 0 0 248.257 2.492 10 0 BEAERN C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000049357982 176917434 /nfs/dbraw/zinc/91/74/34/176917434.db2.gz XUIUQGISJPXDCD-UFBFGSQYSA-N 0 0 237.274 2.340 10 0 BEAERN C[C@H](Nc1ccccc1)C(=O)N1CCCC1 ZINC000055420909 176935589 /nfs/dbraw/zinc/93/55/89/176935589.db2.gz BWMHFYHPFBCMPG-NSHDSACASA-N 0 0 218.300 2.109 10 0 BEAERN C[C@H](Nc1ncc(N)cn1)c1ccccc1F ZINC000049528864 176939047 /nfs/dbraw/zinc/93/90/47/176939047.db2.gz KAPVTKPRPJOHPY-QMMMGPOBSA-N 0 0 232.262 2.371 10 0 BEAERN C[C@H](O)[C@H](C)c1nc(-c2ccccc2F)no1 ZINC000104060238 177012950 /nfs/dbraw/zinc/01/29/50/177012950.db2.gz YVKYOIXGVAGRRC-YUMQZZPRSA-N 0 0 236.246 2.360 10 0 BEAERN C[C@H](O)c1cc2cccc3c2n(c1=O)CCC3 ZINC000040165797 177016668 /nfs/dbraw/zinc/01/66/68/177016668.db2.gz ZSHOKKLFQRYFKO-VIFPVBQESA-N 0 0 229.279 2.001 10 0 BEAERN C[C@H](O)c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000103964700 177017143 /nfs/dbraw/zinc/01/71/43/177017143.db2.gz KBJQSCPMZRYBAX-GDLCADMTSA-N 0 0 236.311 2.422 10 0 BEAERN C[C@H](O)c1ccccc1NCc1cncnc1 ZINC000054768129 177018245 /nfs/dbraw/zinc/01/82/45/177018245.db2.gz MAFNHZQNPWTTEN-JTQLQIEISA-N 0 0 229.283 2.142 10 0 BEAERN C[C@H](OC(C)(C)C)C(=O)Nc1ccccc1N ZINC000020507517 177020699 /nfs/dbraw/zinc/02/06/99/177020699.db2.gz FMJIVHNJVYERJQ-VIFPVBQESA-N 0 0 236.315 2.411 10 0 BEAERN C[C@H](OCc1ccccc1)C(=O)N[C@H]1C[C@@H]1C ZINC000184701523 177021445 /nfs/dbraw/zinc/02/14/45/177021445.db2.gz PMXJVOYTTBXXQE-GVXVVHGQSA-N 0 0 233.311 2.116 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1cccc(Cl)c1 ZINC000087138852 177023293 /nfs/dbraw/zinc/02/32/93/177023293.db2.gz JJZYAAZUKOCISV-SFYZADRCSA-N 0 0 200.665 2.488 10 0 BEAERN C[C@@H](O)[C@H](C)Oc1cccc2cccnc21 ZINC000044232785 177024192 /nfs/dbraw/zinc/02/41/92/177024192.db2.gz VPUKOZQERFYCSZ-ZJUUUORDSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@H](Oc1ccccc1Cl)C(N)=S ZINC000041228715 177024333 /nfs/dbraw/zinc/02/43/33/177024333.db2.gz SWYVXALLHGOVGO-LURJTMIESA-N 0 0 215.705 2.393 10 0 BEAERN C[C@H](Oc1ccccc1N)C(=O)N1CCCCC1 ZINC000037985336 177024741 /nfs/dbraw/zinc/02/47/41/177024741.db2.gz IEVZMMJBZKPVBC-NSHDSACASA-N 0 0 248.326 2.049 10 0 BEAERN C[C@H](Sc1ccc(N)cc1)C(=O)NC1CC1 ZINC000016971933 177029435 /nfs/dbraw/zinc/02/94/35/177029435.db2.gz BASFGXZIFDNDIL-QMMMGPOBSA-N 0 0 236.340 2.028 10 0 BEAERN C[C@H](c1cccc(N)c1)N(C)C(=O)C1CC1 ZINC000036738241 177037029 /nfs/dbraw/zinc/03/70/29/177037029.db2.gz QZBRYVLYPJKDBS-SECBINFHSA-N 0 0 218.300 2.198 10 0 BEAERN C[C@H](c1ccncc1)n1ncc(Cl)c1N ZINC000043665424 177051537 /nfs/dbraw/zinc/05/15/37/177051537.db2.gz FQUKPVNGARAMHO-SSDOTTSWSA-N 0 0 222.679 2.123 10 0 BEAERN C[C@H](c1nc2ccccc2c(=O)n1N)C(C)(C)C ZINC000082309794 177053994 /nfs/dbraw/zinc/05/39/94/177053994.db2.gz KSPKNGUTOUEHIM-SECBINFHSA-N 0 0 245.326 2.260 10 0 BEAERN C[C@H]1CC(C)(C)C[C@@](C(=O)[O-])([NH+](C)C)C1 ZINC000037358074 177063987 /nfs/dbraw/zinc/06/39/87/177063987.db2.gz VTBYZJYSHSWJDU-CABZTGNLSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1CCCC(=O)N1C(=O)OC(C)(C)C ZINC000034583633 177069407 /nfs/dbraw/zinc/06/94/07/177069407.db2.gz YAGAVXVWDVQSSM-QMMMGPOBSA-N 0 0 213.277 2.323 10 0 BEAERN C[C@H]1CCCC[C@@H]1Oc1ncc(N)cn1 ZINC000040456022 177084485 /nfs/dbraw/zinc/08/44/85/177084485.db2.gz GQFFPSFXQGQYNU-WPRPVWTQSA-N 0 0 207.277 2.016 10 0 BEAERN C[C@H]1CCCN1C(=O)CCc1cccc(N)c1 ZINC000037912480 177106678 /nfs/dbraw/zinc/10/66/78/177106678.db2.gz WACSBQMCHSHNIQ-NSHDSACASA-N 0 0 232.327 2.212 10 0 BEAERN C[C@H]1CCCN1C(=O)[C@@H]1CCc2ccccc2N1 ZINC000037912226 177107244 /nfs/dbraw/zinc/10/72/44/177107244.db2.gz DTJAQLVNJXOHAM-FZMZJTMJSA-N 0 0 244.338 2.424 10 0 BEAERN C[C@H]1CCCN1CC(=O)c1ccc2c(c1)OCO2 ZINC000037911659 177109216 /nfs/dbraw/zinc/10/92/16/177109216.db2.gz AYGUJJSAYIZINJ-JTQLQIEISA-N 0 0 247.294 2.082 10 0 BEAERN C[C@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2)[NH2+]1 ZINC000019431491 177113446 /nfs/dbraw/zinc/11/34/46/177113446.db2.gz AXBDMGYMFZZUTQ-CABZTGNLSA-N 0 0 236.290 2.295 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)C(=O)c2cccnc2N)C1 ZINC000050707490 177120401 /nfs/dbraw/zinc/12/04/01/177120401.db2.gz UBDHPBZLMYIMNO-WDEREUQCSA-N 0 0 247.342 2.315 10 0 BEAERN C[C@H]1CCC[C@@H](NC(=O)c2csc(N)n2)C1 ZINC000055185406 177122394 /nfs/dbraw/zinc/12/23/94/177122394.db2.gz SQRQCVXPMIRMDD-JGVFFNPUSA-N 0 0 239.344 2.034 10 0 BEAERN C[C@H]1CCC[C@@]([NH2+]CC2CC2)(C(=O)[O-])C1 ZINC000037967194 177127798 /nfs/dbraw/zinc/12/77/98/177127798.db2.gz QGIGEACZDQOXAZ-CABZTGNLSA-N 0 0 211.305 2.020 10 0 BEAERN C[C@H]1CCC[C@H](N(C)C(=O)c2cccnc2N)C1 ZINC000050707488 177134424 /nfs/dbraw/zinc/13/44/24/177134424.db2.gz UBDHPBZLMYIMNO-QWRGUYRKSA-N 0 0 247.342 2.315 10 0 BEAERN C[C@H]1CCC[C@H](Oc2cc(C[NH3+])ccn2)C1 ZINC000034958118 177138063 /nfs/dbraw/zinc/13/80/63/177138063.db2.gz XZJVUWGPHXZAGW-JQWIXIFHSA-N 0 0 220.316 2.498 10 0 BEAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccnc(C(N)=O)c1 ZINC000035673384 177138581 /nfs/dbraw/zinc/13/85/81/177138581.db2.gz RXKDIFBWWFNAHE-UMNHJUIQSA-N 0 0 247.342 2.417 10 0 BEAERN C[C@H]1CCCc2nc3c(c(=O)n21)CCCC3 ZINC000029327841 177145599 /nfs/dbraw/zinc/14/55/99/177145599.db2.gz UENSQHPPFYADED-VIFPVBQESA-N 0 0 218.300 2.019 10 0 BEAERN C[C@H]1CCN(C(=O)c2cc3cccc(N)c3[nH]2)C1 ZINC000062833856 177152507 /nfs/dbraw/zinc/15/25/07/177152507.db2.gz SZMRPEZALLVHHC-VIFPVBQESA-N 0 0 243.310 2.232 10 0 BEAERN C[C@H]1CCN(c2c(N)ccc(F)c2F)C1 ZINC000053165856 177170950 /nfs/dbraw/zinc/17/09/50/177170950.db2.gz RMDZWRQURUBQBP-ZETCQYMHSA-N 0 0 212.243 2.393 10 0 BEAERN C[C@H]1CCO[C@H]1c1nc(C(C)(C)C)no1 ZINC000128725718 177180016 /nfs/dbraw/zinc/18/00/16/177180016.db2.gz VQAVMLDVASUYIM-JGVFFNPUSA-N 0 0 210.277 2.465 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCc2ccccc2F)O1 ZINC000122740811 177182348 /nfs/dbraw/zinc/18/23/48/177182348.db2.gz HEWCKYOBPZWSML-CABZTGNLSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)c2ccccc2)O1 ZINC000121710128 177196111 /nfs/dbraw/zinc/19/61/11/177196111.db2.gz LZIAFDGVNHBCOI-CMPLNLGQSA-N 0 0 219.284 2.217 10 0 BEAERN C[C@H]1CCC(C(=O)C(F)(F)F)=C(O)C1 ZINC000100196939 177196695 /nfs/dbraw/zinc/19/66/95/177196695.db2.gz ULAJSLQTYJJGEJ-WDSKDSINSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@H]1CCc2c(sc(N)c2C(=O)N(C)C)C1 ZINC000104277295 177209475 /nfs/dbraw/zinc/20/94/75/177209475.db2.gz CXMSLKSJBBAQNV-ZETCQYMHSA-N 0 0 238.356 2.157 10 0 BEAERN C[C@H]1CCc2nc(Cl)c(CO)cc2C1 ZINC000049815073 177210294 /nfs/dbraw/zinc/21/02/94/177210294.db2.gz IQMMEQRGCHTALZ-ZETCQYMHSA-N 0 0 211.692 2.352 10 0 BEAERN C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc32)CCS1 ZINC000336400232 177224001 /nfs/dbraw/zinc/22/40/01/177224001.db2.gz MAIGDYCDBLDSFY-GXFFZTMASA-N 0 0 247.363 2.290 10 0 BEAERN C[C@H]1CN(Cc2ccc(Cl)c(N)c2)CCO1 ZINC000020072095 177262323 /nfs/dbraw/zinc/26/23/23/177262323.db2.gz CQRLSMJMTJWZSZ-VIFPVBQESA-N 0 0 240.734 2.143 10 0 BEAERN C[C@@H](c1ccccn1)N1CCC(=O)[C@@H](C)C1 ZINC000049693733 177274468 /nfs/dbraw/zinc/27/44/68/177274468.db2.gz QHULROLQMGRQAQ-QWRGUYRKSA-N 0 0 218.300 2.054 10 0 BEAERN C[C@H]1CNc2ccc(Br)nc2O1 ZINC000261508377 177287130 /nfs/dbraw/zinc/28/71/30/177287130.db2.gz RUHCTINXSREDHC-YFKPBYRVSA-N 0 0 229.077 2.037 10 0 BEAERN C[C@H]1COCCN1Cc1ccc2c(c1)CCCN2 ZINC000035776831 177292771 /nfs/dbraw/zinc/29/27/71/177292771.db2.gz IXQLOFURIDBHHM-LBPRGKRZSA-N 0 0 246.354 2.265 10 0 BEAERN C[C@H]1COC[C@H](C)N1CCOc1ccccc1 ZINC000077367553 177299862 /nfs/dbraw/zinc/29/98/62/177299862.db2.gz LFKXBLJNVFLSHN-STQMWFEESA-N 0 0 235.327 2.175 10 0 BEAERN C[C@@H](c1cccc(N)c1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC000036738207 177340518 /nfs/dbraw/zinc/34/05/18/177340518.db2.gz CBUHKBKPCCUGSZ-KWBADKCTSA-N 0 0 232.327 2.444 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)N1CCc2c(F)cccc2C1 ZINC000123611800 177346958 /nfs/dbraw/zinc/34/69/58/177346958.db2.gz RUMSDJSQYOBCJE-ZANVPECISA-N 0 0 248.301 2.302 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(Cl)cn1 ZINC000175862202 177347843 /nfs/dbraw/zinc/34/78/43/177347843.db2.gz IXWOTVKXNJQQAX-XPUUQOCRSA-N 0 0 225.679 2.265 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000075513636 177347851 /nfs/dbraw/zinc/34/78/51/177347851.db2.gz WADQUWGGTKWCHG-YUMQZZPRSA-N 0 0 247.323 2.276 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(O)ccc1Cl ZINC000235618045 177347852 /nfs/dbraw/zinc/34/78/52/177347852.db2.gz PNNKIFOLXMKSNA-WKEGUHRASA-N 0 0 225.675 2.184 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)CCO2 ZINC000170824611 177348300 /nfs/dbraw/zinc/34/83/00/177348300.db2.gz PFUYDBNAHSWBAJ-KWQFWETISA-N 0 0 232.283 2.151 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063011871 177348309 /nfs/dbraw/zinc/34/83/09/177348309.db2.gz HZFXOSONDMVVPG-CDUCUWFYSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(-c2ccco2)on1 ZINC000171055467 177348312 /nfs/dbraw/zinc/34/83/12/177348312.db2.gz PLDRVKQLFIHDTO-YUMQZZPRSA-N 0 0 232.239 2.073 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Nc1nnc(C(F)F)s1 ZINC000170827682 177348321 /nfs/dbraw/zinc/34/83/21/177348321.db2.gz JNTCCSUMTZXETM-IMJSIDKUSA-N 0 0 248.258 2.006 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000075515518 177348698 /nfs/dbraw/zinc/34/86/98/177348698.db2.gz SCDXBUMRYLKSOT-GWCFXTLKSA-N 0 0 241.294 2.011 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000171074486 177349012 /nfs/dbraw/zinc/34/90/12/177349012.db2.gz MPKKWPNAUSIOTB-ZANVPECISA-N 0 0 215.296 2.314 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000330305394 177349120 /nfs/dbraw/zinc/34/91/20/177349120.db2.gz QPQXPNFOBBURAD-CBAPKCEASA-N 0 0 247.323 2.276 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1nc2ccccc2[nH]1 ZINC000216255870 177376912 /nfs/dbraw/zinc/37/69/12/177376912.db2.gz NVUNYBQDLIHFMZ-IVZWLZJFSA-N 0 0 243.310 2.396 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1cc(F)ccc1F ZINC000171046596 177382511 /nfs/dbraw/zinc/38/25/11/177382511.db2.gz JYOABZXJQXTNRK-QPUJVOFHSA-N 0 0 239.265 2.422 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1ccccc1 ZINC000075982693 177383699 /nfs/dbraw/zinc/38/36/99/177383699.db2.gz KOVDVAKDHYQTLD-CMPLNLGQSA-N 0 0 218.300 2.236 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000075527769 177384556 /nfs/dbraw/zinc/38/45/56/177384556.db2.gz BLPCDQZBOHKDBW-OIBJUYFYSA-N 0 0 209.676 2.478 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000116748149 177385053 /nfs/dbraw/zinc/38/50/53/177385053.db2.gz OXHNUJDHFDEOAU-GXFFZTMASA-N 0 0 241.294 2.011 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cc(N[C@@H]2C[C@@H]2C)ncn1 ZINC000123627529 177386131 /nfs/dbraw/zinc/38/61/31/177386131.db2.gz RQDYSMOMMVETHU-FIRGSJFUSA-N 0 0 218.304 2.117 10 0 BEAERN C[C@H]1C[C@H]1Nc1c(F)c(F)nc(F)c1F ZINC000087115136 177386279 /nfs/dbraw/zinc/38/62/79/177386279.db2.gz SWJLCXMMUWVVAX-IUYQGCFVSA-N 0 0 220.169 2.458 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCc1ccsc1 ZINC000188706812 177397655 /nfs/dbraw/zinc/39/76/55/177397655.db2.gz MSAQMNDKYSGAEM-KOLCDFICSA-N 0 0 239.340 2.179 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCc1cncs1 ZINC000192280209 177397830 /nfs/dbraw/zinc/39/78/30/177397830.db2.gz UUOYIPYAQZXGLV-PSASIEDQSA-N 0 0 241.312 2.001 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1cccc(Cl)n1 ZINC000135081118 177408449 /nfs/dbraw/zinc/40/84/49/177408449.db2.gz ODJJYQAHURJVOJ-HTQZYQBOSA-N 0 0 212.680 2.324 10 0 BEAERN C[C@]1(c2ccc(Cl)s2)CNC(=O)O1 ZINC000036159611 177477293 /nfs/dbraw/zinc/47/72/93/177477293.db2.gz KWUGZOGXSXJTMK-MRVPVSSYSA-N 0 0 217.677 2.357 10 0 BEAERN C[Si](C)(C)c1ccnc([Si](C)(C)C)c1F ZINC000196329528 177500463 /nfs/dbraw/zinc/50/04/63/177500463.db2.gz FEDVPDFFFCJJSY-UHFFFAOYSA-N 0 0 241.458 2.311 10 0 BEAERN Cc1c(N)cccc1COC[C@@H]1CCCO1 ZINC000035649396 177611873 /nfs/dbraw/zinc/61/18/73/177611873.db2.gz KAHIEJBTMKILEZ-LBPRGKRZSA-N 0 0 221.300 2.273 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232722766 487642096 /nfs/dbraw/zinc/64/20/96/487642096.db2.gz PVSAMJHVSMDOLB-YPMHNXCESA-N 0 0 227.348 2.464 10 0 BEAERN CO[C@H]1C[C@@H](NC(=O)OC(C)C)C12CCC2 ZINC000496680920 226311455 /nfs/dbraw/zinc/31/14/55/226311455.db2.gz WRJUFSREJYGTKR-ZJUUUORDSA-N 0 0 227.304 2.079 10 0 BEAERN COc1ccc([C@H](C)NC(=O)N(C)C)cc1F ZINC000053909487 322934182 /nfs/dbraw/zinc/93/41/82/322934182.db2.gz IIPWYUQRGWEVCT-QMMMGPOBSA-N 0 0 240.278 2.167 10 0 BEAERN COC[C@H](C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000174593316 229386810 /nfs/dbraw/zinc/38/68/10/229386810.db2.gz OPHZRWJGTNUBDT-NWDGAFQWSA-N 0 0 227.348 2.164 10 0 BEAERN COC[C@@H](C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000174593332 229387574 /nfs/dbraw/zinc/38/75/74/229387574.db2.gz OPHZRWJGTNUBDT-NEPJUHHUSA-N 0 0 227.348 2.164 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cs1 ZINC000671659267 487676219 /nfs/dbraw/zinc/67/62/19/487676219.db2.gz DUBKXOUVVYDKED-GHMZBOCLSA-N 0 0 239.340 2.090 10 0 BEAERN CC(C)CC[C@H]([NH3+])C[C@H](C)CC(=O)[O-] ZINC000521400533 262779011 /nfs/dbraw/zinc/77/90/11/262779011.db2.gz AEUGXLQMCCKHKC-UWVGGRQHSA-N 0 0 201.310 2.251 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H](O)CC[C@@H]2C)cc1C ZINC000399220304 262780116 /nfs/dbraw/zinc/78/01/16/262780116.db2.gz IRKIZXHWNGETOE-GXTWGEPZSA-N 0 0 247.338 2.289 10 0 BEAERN Nc1cccnc1-c1cnc(C2CC2)o1 ZINC000527532918 262860880 /nfs/dbraw/zinc/86/08/80/262860880.db2.gz QJWNERKQBSZLCR-UHFFFAOYSA-N 0 0 201.229 2.196 10 0 BEAERN Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000250020364 487726561 /nfs/dbraw/zinc/72/65/61/487726561.db2.gz LXDWMYDPXIRNEM-ZSBIGDGJSA-N 0 0 242.322 2.157 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1sc2ncccc2c1N ZINC000088643056 487742663 /nfs/dbraw/zinc/74/26/63/487742663.db2.gz AMCQBNFSFMLSFC-XPUUQOCRSA-N 0 0 247.323 2.017 10 0 BEAERN Cc1ncc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000250840557 487743069 /nfs/dbraw/zinc/74/30/69/487743069.db2.gz RSTQSBANQHFOHB-ILWJIGKKSA-N 0 0 236.340 2.114 10 0 BEAERN C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1 ZINC000250905189 487744383 /nfs/dbraw/zinc/74/43/83/487744383.db2.gz QSIMYYTYNVMHGV-SYEHKZFSSA-N 0 0 230.311 2.305 10 0 BEAERN Cc1cc(/C=C/Br)nn1C ZINC000685964608 585028534 /nfs/dbraw/zinc/02/85/34/585028534.db2.gz PLWZLIOVTCNZSQ-ONEGZZNKSA-N 0 0 201.067 2.094 10 0 BEAERN O=C(NC(C1CC1)C1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251278435 487753086 /nfs/dbraw/zinc/75/30/86/487753086.db2.gz MMMXFJALGFVDTP-ZSBIGDGJSA-N 0 0 219.328 2.337 10 0 BEAERN CCN1c2ccc(O)cc2C(C)(C)C1=O ZINC000642881982 487753907 /nfs/dbraw/zinc/75/39/07/487753907.db2.gz OVPQGXCPRDDXSD-UHFFFAOYSA-N 0 0 205.257 2.036 10 0 BEAERN CC1CC(C(=O)NCC2(CO)CCCCC2)C1 ZINC000675615603 487754219 /nfs/dbraw/zinc/75/42/19/487754219.db2.gz DQQGLUHRKNZFFT-UHFFFAOYSA-N 0 0 239.359 2.092 10 0 BEAERN O[C@H]1CCC[C@@H](Nc2ncnc3c2CCCC3)C1 ZINC000675631601 487755800 /nfs/dbraw/zinc/75/58/00/487755800.db2.gz HGLMEUYAMCKTDQ-MNOVXSKESA-N 0 0 247.342 2.071 10 0 BEAERN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000681241738 487757949 /nfs/dbraw/zinc/75/79/49/487757949.db2.gz POYCBMHQZDFBDW-GRYCIOLGSA-N 0 0 239.359 2.232 10 0 BEAERN COC(=O)c1ccc(C(=O)c2ccccc2)nc1 ZINC000196080383 487774924 /nfs/dbraw/zinc/77/49/24/487774924.db2.gz ZUZQPTSAKUECFW-UHFFFAOYSA-N 0 0 241.246 2.099 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000307233947 487776560 /nfs/dbraw/zinc/77/65/60/487776560.db2.gz QVRMSSGVDFVWTB-OUAUKWLOSA-N 0 0 213.321 2.074 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000307233954 487776409 /nfs/dbraw/zinc/77/64/09/487776409.db2.gz QVRMSSGVDFVWTB-VWYCJHECSA-N 0 0 213.321 2.074 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252139846 487818252 /nfs/dbraw/zinc/81/82/52/487818252.db2.gz MBJNYVSDQJMDAE-ZIQFBCGOSA-N 0 0 207.317 2.337 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000401691065 529307899 /nfs/dbraw/zinc/30/78/99/529307899.db2.gz FZHSISYFVZLYKM-UPJWGTAASA-N 0 0 241.375 2.288 10 0 BEAERN CC(C)[C@@H](C)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304150463 487873101 /nfs/dbraw/zinc/87/31/01/487873101.db2.gz CMZBVQQBERTRRR-SNVBAGLBSA-N 0 0 236.315 2.256 10 0 BEAERN CCc1csc(NCC2(CCO)CC2)n1 ZINC000133025016 487908335 /nfs/dbraw/zinc/90/83/35/487908335.db2.gz MFFSQSYELQAFKY-UHFFFAOYSA-N 0 0 226.345 2.280 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000083412765 487908533 /nfs/dbraw/zinc/90/85/33/487908533.db2.gz FSBMBORUYFEDLA-CMPLNLGQSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCc1ccc(CO)cc1 ZINC000227481363 487940122 /nfs/dbraw/zinc/94/01/22/487940122.db2.gz FFOBYKFZMVPOCF-SMDDNHRTSA-N 0 0 247.338 2.231 10 0 BEAERN Clc1nccc(-c2cnn3c2CCCC3)n1 ZINC000147060504 487944289 /nfs/dbraw/zinc/94/42/89/487944289.db2.gz PWXTZJFLCIJPIP-UHFFFAOYSA-N 0 0 234.690 2.330 10 0 BEAERN COc1cc(C)c(C(=O)N[C@H]2C[C@H]2C)cc1OC ZINC000151220485 323013709 /nfs/dbraw/zinc/01/37/09/323013709.db2.gz WUOUPUUIKMZZEV-KOLCDFICSA-N 0 0 249.310 2.150 10 0 BEAERN C[C@H](NC(=O)NCCc1ccsc1)C1CC1 ZINC000048113572 323115354 /nfs/dbraw/zinc/11/53/54/323115354.db2.gz XHDPOBXQGXUYHZ-VIFPVBQESA-N 0 0 238.356 2.388 10 0 BEAERN CCC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398692384 323189618 /nfs/dbraw/zinc/18/96/18/323189618.db2.gz CQVFOKJVNXIKTN-QJPTWQEYSA-N 0 0 239.359 2.042 10 0 BEAERN CCCCCC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398763453 323192065 /nfs/dbraw/zinc/19/20/65/323192065.db2.gz IKNGDKFONXGHIQ-RWMBFGLXSA-N 0 0 239.359 2.186 10 0 BEAERN COc1ccccc1[C@]1(O)CCS[C@@H]1C ZINC000211606949 323195143 /nfs/dbraw/zinc/19/51/43/323195143.db2.gz YDSHYWJFQDIFMU-SKDRFNHKSA-N 0 0 224.325 2.408 10 0 BEAERN COc1ccc([C@@]2(O)CCS[C@@H]2C)cc1 ZINC000211606770 323195159 /nfs/dbraw/zinc/19/51/59/323195159.db2.gz GKFDHHJFWKWFML-BXKDBHETSA-N 0 0 224.325 2.408 10 0 BEAERN CC[C@@]1(C)CN(C(=O)[C@@H]2CC2(C)C)CCO1 ZINC000135289155 323374072 /nfs/dbraw/zinc/37/40/72/323374072.db2.gz SHWQOKVAMTZEIN-GWCFXTLKSA-N 0 0 225.332 2.060 10 0 BEAERN Nc1ccc2nc(N[C@H]3CCCOC3)sc2c1 ZINC000109544959 487960197 /nfs/dbraw/zinc/96/01/97/487960197.db2.gz CHZJFBQSLBJTSJ-VIFPVBQESA-N 0 0 249.339 2.469 10 0 BEAERN CSCC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000055479941 323899471 /nfs/dbraw/zinc/89/94/71/323899471.db2.gz VFWDEJZBTQJYFP-VHSXEESVSA-N 0 0 215.362 2.292 10 0 BEAERN OC[C@H](O)CSCCCC1CCCC1 ZINC000119234625 323918373 /nfs/dbraw/zinc/91/83/73/323918373.db2.gz BSUVNJCQVARCKR-NSHDSACASA-N 0 0 218.362 2.043 10 0 BEAERN CC[S@](C)(=O)=Nc1cccc(OC)c1 ZINC000536949975 323951976 /nfs/dbraw/zinc/95/19/76/323951976.db2.gz DJUGJBJQTJTMRK-AWEZNQCLSA-N 0 0 213.302 2.444 10 0 BEAERN C[C@H]1CCc2nc(-c3ccccc3)cc(=O)n2C1 ZINC000536950227 323953751 /nfs/dbraw/zinc/95/37/51/323953751.db2.gz DWCJNEHWYXMOJG-NSHDSACASA-N 0 0 240.306 2.493 10 0 BEAERN CCCc1noc(C[C@@]2(O)CCC[C@H]2C)n1 ZINC000536952666 323959033 /nfs/dbraw/zinc/95/90/33/323959033.db2.gz DNELVNUJDHIXFQ-SKDRFNHKSA-N 0 0 224.304 2.116 10 0 BEAERN COC(=O)c1c(C(C)(C)C)nc2n1CCCC2 ZINC000536953621 323961408 /nfs/dbraw/zinc/96/14/08/323961408.db2.gz IAKHDYGSOBTTIO-UHFFFAOYSA-N 0 0 236.315 2.304 10 0 BEAERN CC(=O)[C@H]1CCCN(c2ccccc2C)C1=O ZINC000536957635 323968571 /nfs/dbraw/zinc/96/85/71/323968571.db2.gz CMJBUJLMAIKVMN-GFCCVEGCSA-N 0 0 231.295 2.327 10 0 BEAERN COC(=O)[C@]12CCO[C@H]1CC[C@@H](C(C)C)C2 ZINC000536959621 323971976 /nfs/dbraw/zinc/97/19/76/323971976.db2.gz LIDVSOFTYDUBTQ-MDZLAQPJSA-N 0 0 226.316 2.391 10 0 BEAERN CCc1cc(C(=O)Nc2ccnn2C)oc1CC ZINC000121071960 324003352 /nfs/dbraw/zinc/00/33/52/324003352.db2.gz PWOWCFSGSJGUBP-UHFFFAOYSA-N 0 0 247.298 2.390 10 0 BEAERN C[C@@]1(CNC(=O)NC2CCCCC2)CCCO1 ZINC000122504554 324047373 /nfs/dbraw/zinc/04/73/73/324047373.db2.gz GIYTUJNUQSVXAH-ZDUSSCGKSA-N 0 0 240.347 2.187 10 0 BEAERN C[C@H]1CN(C(=O)NC2CCCCC2)CCS1 ZINC000122547571 324048387 /nfs/dbraw/zinc/04/83/87/324048387.db2.gz UKBTXHYYOFSKEG-JTQLQIEISA-N 0 0 242.388 2.466 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000188992678 324184451 /nfs/dbraw/zinc/18/44/51/324184451.db2.gz MFOMHXIMBQXEGF-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN CCCCNC(=O)N(C)Cc1ccccc1N ZINC000035360778 487963075 /nfs/dbraw/zinc/96/30/75/487963075.db2.gz YPDQVZSDAPUBLU-UHFFFAOYSA-N 0 0 235.331 2.210 10 0 BEAERN OCC[C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000124227213 324611888 /nfs/dbraw/zinc/61/18/88/324611888.db2.gz AQFJVUOQKYOOTI-LBPRGKRZSA-N 0 0 242.322 2.444 10 0 BEAERN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000302449690 487964535 /nfs/dbraw/zinc/96/45/35/487964535.db2.gz XGVFBNDKLHFNPG-WDEREUQCSA-N 0 0 248.326 2.400 10 0 BEAERN CC(C)[C@H](C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000065689437 324704243 /nfs/dbraw/zinc/70/42/43/324704243.db2.gz GGKHBTCJXJCMIA-MNOVXSKESA-N 0 0 242.363 2.240 10 0 BEAERN Cc1cccc(CNC(=O)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000127087064 324744634 /nfs/dbraw/zinc/74/46/34/324744634.db2.gz PBCNTLBCYURTMA-RYUDHWBXSA-N 0 0 247.342 2.472 10 0 BEAERN CCC[C@H](C)C(=O)NCc1cccc(OC)n1 ZINC000128991116 324904603 /nfs/dbraw/zinc/90/46/03/324904603.db2.gz WNVAABREYLQIAN-JTQLQIEISA-N 0 0 236.315 2.143 10 0 BEAERN CCc1oc(C(=O)Nc2nc(C)no2)cc1C ZINC000129486372 324954256 /nfs/dbraw/zinc/95/42/56/324954256.db2.gz DPHIPJGJPSJAEC-UHFFFAOYSA-N 0 0 235.243 2.094 10 0 BEAERN CCc1cccc(CC(=O)NC[C@@H]2CCCO2)c1 ZINC000129903528 324993869 /nfs/dbraw/zinc/99/38/69/324993869.db2.gz WWNBQUFIWTUBBJ-AWEZNQCLSA-N 0 0 247.338 2.087 10 0 BEAERN C[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C)C1 ZINC000542393012 325023833 /nfs/dbraw/zinc/02/38/33/325023833.db2.gz AZTUUXDGVDWJHU-XQHKEYJVSA-N 0 0 239.359 2.042 10 0 BEAERN O=C(COc1nnc(-c2ccccc2)o1)C1CC1 ZINC000130285434 325034914 /nfs/dbraw/zinc/03/49/14/325034914.db2.gz FGNZNMUWQKLYAL-UHFFFAOYSA-N 0 0 244.250 2.095 10 0 BEAERN Cc1ccoc1C(=O)NCc1cccc(C)n1 ZINC000130415061 325050497 /nfs/dbraw/zinc/05/04/97/325050497.db2.gz CDRZJYWXSTWYNX-UHFFFAOYSA-N 0 0 230.267 2.221 10 0 BEAERN Cc1nnc([C@@H](C)SC2CCOCC2)o1 ZINC000131337862 325137699 /nfs/dbraw/zinc/13/76/99/325137699.db2.gz JHZHKBKRQKBHQK-SSDOTTSWSA-N 0 0 228.317 2.351 10 0 BEAERN CC[C@@H]1CCN(C(=O)CCCSC)C1 ZINC000131700801 325178365 /nfs/dbraw/zinc/17/83/65/325178365.db2.gz ZKASNMVRSPCXIW-SNVBAGLBSA-N 0 0 215.362 2.388 10 0 BEAERN CC[C@@H](SC)C(=O)NCC1(C)CCC1 ZINC000131703362 325178752 /nfs/dbraw/zinc/17/87/52/325178752.db2.gz JCTFKILQUYIDRP-SECBINFHSA-N 0 0 215.362 2.434 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1=CCCCCC1 ZINC000131843992 325186661 /nfs/dbraw/zinc/18/66/61/325186661.db2.gz NTJXXLIIYOXAPA-OLZOCXBDSA-N 0 0 237.343 2.297 10 0 BEAERN CC[C@@H]1CCN(C(=O)c2ccc(COC)o2)C1 ZINC000132963811 325257248 /nfs/dbraw/zinc/25/72/48/325257248.db2.gz APDGOSHASAUIED-SNVBAGLBSA-N 0 0 237.299 2.298 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000133313743 325285873 /nfs/dbraw/zinc/28/58/73/325285873.db2.gz IXLZEVSCZNPBAW-UTUOFQBUSA-N 0 0 241.375 2.336 10 0 BEAERN CCN(CC1CC1)C(=O)[C@@H](C)C1CCOCC1 ZINC000133752723 325316096 /nfs/dbraw/zinc/31/60/96/325316096.db2.gz DJELGCSGPTXZKT-NSHDSACASA-N 0 0 239.359 2.308 10 0 BEAERN CCC1(NC(=O)NC[C@H](C)SC)CCC1 ZINC000133783860 325319458 /nfs/dbraw/zinc/31/94/58/325319458.db2.gz DEABKSNYOQZZFM-VIFPVBQESA-N 0 0 230.377 2.370 10 0 BEAERN Cc1cc(NC(=O)[C@@H](C)C2CCOCC2)ccn1 ZINC000133799794 325320446 /nfs/dbraw/zinc/32/04/46/325320446.db2.gz SHAROHYLKGKFPF-NSHDSACASA-N 0 0 248.326 2.391 10 0 BEAERN Cc1cc(NC(=O)[C@H](C)C2CCOCC2)ccn1 ZINC000133800002 325320454 /nfs/dbraw/zinc/32/04/54/325320454.db2.gz SHAROHYLKGKFPF-LLVKDONJSA-N 0 0 248.326 2.391 10 0 BEAERN CSCCC(=O)N(C)[C@@H](C)CCSC ZINC000134365881 325355664 /nfs/dbraw/zinc/35/56/64/325355664.db2.gz APQKDTZITAFABV-VIFPVBQESA-N 0 0 235.418 2.340 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N[C@H](C)C1CCOCC1 ZINC000134612835 325367844 /nfs/dbraw/zinc/36/78/44/325367844.db2.gz VAZURHVFMLEBHZ-GHMZBOCLSA-N 0 0 242.363 2.145 10 0 BEAERN CSCCCC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000134690504 325372158 /nfs/dbraw/zinc/37/21/58/325372158.db2.gz JIIZRXVLMPPPNQ-SNVBAGLBSA-N 0 0 245.388 2.156 10 0 BEAERN CC[C@H]1CCCCCN1C(=O)[C@@H](C)OC ZINC000134721730 325373269 /nfs/dbraw/zinc/37/32/69/325373269.db2.gz YKMVKSKWSDYPKT-MNOVXSKESA-N 0 0 213.321 2.203 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)N1CCOCC1 ZINC000134914620 325382495 /nfs/dbraw/zinc/38/24/95/325382495.db2.gz JQHUXYWUZNVIBA-GFCCVEGCSA-N 0 0 240.347 2.093 10 0 BEAERN CCc1cc(C)c(C(=O)Nc2nc(C)no2)o1 ZINC000135043856 325390432 /nfs/dbraw/zinc/39/04/32/325390432.db2.gz SVBCYGRCIQLFDC-UHFFFAOYSA-N 0 0 235.243 2.094 10 0 BEAERN CCCC[C@@H](NCC1(C)CCC1)C(=O)OC ZINC000135241514 325402308 /nfs/dbraw/zinc/40/23/08/325402308.db2.gz ZILDHSDLGZSXPF-LLVKDONJSA-N 0 0 227.348 2.498 10 0 BEAERN CCCc1cc(NC(=O)COC(C)(C)C)n[nH]1 ZINC000135874331 325431285 /nfs/dbraw/zinc/43/12/85/325431285.db2.gz FWZRKVYKPAORLQ-UHFFFAOYSA-N 0 0 239.319 2.116 10 0 BEAERN CCc1nnc(COc2cc(F)ccc2C)n1C ZINC000682455287 487967889 /nfs/dbraw/zinc/96/78/89/487967889.db2.gz ZLWWBCCSBLUDGP-UHFFFAOYSA-N 0 0 249.289 2.404 10 0 BEAERN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@@H](C)O1 ZINC000245483653 325506879 /nfs/dbraw/zinc/50/68/79/325506879.db2.gz FWPMZYCXGMLSST-KVSVUVNWSA-N 0 0 237.343 2.058 10 0 BEAERN CC(C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000246489018 325567572 /nfs/dbraw/zinc/56/75/72/325567572.db2.gz AOPWPIKDEXNJLC-SDDRHHMPSA-N 0 0 242.363 2.288 10 0 BEAERN O=C(CCC1CCCCC1)NCC1CC(O)C1 ZINC000091425796 325686737 /nfs/dbraw/zinc/68/67/37/325686737.db2.gz GHUWMLUEZHPRNU-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN CC[C@@H](C(=O)NCC1CC(O)C1)c1ccccc1 ZINC000091524446 325687266 /nfs/dbraw/zinc/68/72/66/325687266.db2.gz DROLWGKKVQWIOD-UXUKBGGZSA-N 0 0 247.338 2.067 10 0 BEAERN O=C([O-])[C@@H](C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000211485175 487970813 /nfs/dbraw/zinc/97/08/13/487970813.db2.gz PNPWGVWBKFMOGZ-SECBINFHSA-N 0 0 247.216 2.039 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCCCC(C)(C)C)O1 ZINC000155946012 326215208 /nfs/dbraw/zinc/21/52/08/326215208.db2.gz JJXJWPLOOMEXHQ-QWRGUYRKSA-N 0 0 227.348 2.496 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000156530900 326234632 /nfs/dbraw/zinc/23/46/32/326234632.db2.gz QAIWMTKPUSUHTG-JOYOIKCWSA-N 0 0 235.283 2.207 10 0 BEAERN CC(C)c1nccnc1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568843036 326379011 /nfs/dbraw/zinc/37/90/11/326379011.db2.gz OWZYIPCXMUXJLF-ZSBIGDGJSA-N 0 0 249.358 2.390 10 0 BEAERN CC(C)c1nccnc1NC1C[C@@H](C)O[C@H](C)C1 ZINC000568843034 326379120 /nfs/dbraw/zinc/37/91/20/326379120.db2.gz OWZYIPCXMUXJLF-GHMZBOCLSA-N 0 0 249.358 2.390 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1nc2ccccc2o1 ZINC000134571552 487986789 /nfs/dbraw/zinc/98/67/89/487986789.db2.gz WAYSCHFRMYMKPB-IUCAKERBSA-N 0 0 218.256 2.417 10 0 BEAERN CCOCc1nc(Cl)cc(Cl)n1 ZINC000084062661 487990972 /nfs/dbraw/zinc/99/09/72/487990972.db2.gz PYDUJAPRBBVWSO-UHFFFAOYSA-N 0 0 207.060 2.320 10 0 BEAERN C[C@@H](C(=O)[O-])[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000221774999 488058569 /nfs/dbraw/zinc/05/85/69/488058569.db2.gz LGIANOFFEUUEKM-JFGNBEQYSA-N 0 0 233.311 2.025 10 0 BEAERN CCc1cc(CC)nc(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000672167085 488100294 /nfs/dbraw/zinc/10/02/94/488100294.db2.gz KDURZZGMFHTJPY-CHWSQXEVSA-N 0 0 249.358 2.317 10 0 BEAERN C[C@H](C(=O)N[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000680186407 487542505 /nfs/dbraw/zinc/54/25/05/487542505.db2.gz RARRPQHDBRENQH-YUTCNCBUSA-N 0 0 247.338 2.210 10 0 BEAERN Cc1cnc([C@@H](C)NCc2oc(C)nc2C)o1 ZINC000685572726 487552986 /nfs/dbraw/zinc/55/29/86/487552986.db2.gz GXBVSUOUWRYMTD-SECBINFHSA-N 0 0 235.287 2.439 10 0 BEAERN CC(C)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405384414 487483030 /nfs/dbraw/zinc/48/30/30/487483030.db2.gz FNFXYALHDNPERD-MNOVXSKESA-N 0 0 225.332 2.218 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000673910453 487477957 /nfs/dbraw/zinc/47/79/57/487477957.db2.gz BMGWEDHVDHZYOO-SDDRHHMPSA-N 0 0 242.363 2.025 10 0 BEAERN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534419 487489813 /nfs/dbraw/zinc/48/98/13/487489813.db2.gz OFMGTKWSNRBMQX-WDEREUQCSA-N 0 0 248.326 2.400 10 0 BEAERN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534417 487489828 /nfs/dbraw/zinc/48/98/28/487489828.db2.gz OFMGTKWSNRBMQX-MNOVXSKESA-N 0 0 248.326 2.400 10 0 BEAERN CN(CCc1ccncc1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249968761 487526138 /nfs/dbraw/zinc/52/61/38/487526138.db2.gz GXTFNOTUFQTXMU-BTTYYORXSA-N 0 0 244.338 2.129 10 0 BEAERN CNC(=O)Cc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000321964409 488162891 /nfs/dbraw/zinc/16/28/91/488162891.db2.gz ZCSXICSNLFLEOI-MISXGVKJSA-N 0 0 246.354 2.432 10 0 BEAERN O[C@H]1CCC[C@H](Cn2cnc3c2CCCC3)C1 ZINC000380116711 488173603 /nfs/dbraw/zinc/17/36/03/488173603.db2.gz AXHKVTDVFVRBCD-RYUDHWBXSA-N 0 0 234.343 2.313 10 0 BEAERN N[C@@H](Cc1ccccc1)c1nc(C2CC2)no1 ZINC000019231186 488225727 /nfs/dbraw/zinc/22/57/27/488225727.db2.gz LTABRBNOMAOHLP-NSHDSACASA-N 0 0 229.283 2.190 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1c1cc(C(C)(C)C)ncn1 ZINC000399232446 488228801 /nfs/dbraw/zinc/22/88/01/488228801.db2.gz COKKOUHPTOWJFA-WDEREUQCSA-N 0 0 249.358 2.124 10 0 BEAERN CNc1ccccc1C(=O)NCC[C@H]1CCCO1 ZINC000042033020 488270888 /nfs/dbraw/zinc/27/08/88/488270888.db2.gz RZHMHGDZRMVIBY-LLVKDONJSA-N 0 0 248.326 2.027 10 0 BEAERN CCC[C@H](C)N1C(=O)N[C@H](C(C)(C)C)C1=O ZINC000679124009 488311109 /nfs/dbraw/zinc/31/11/09/488311109.db2.gz RTPHXRQEZPBKRS-IUCAKERBSA-N 0 0 226.320 2.142 10 0 BEAERN Brc1cnn(COCC2CC2)c1 ZINC000062701668 518235196 /nfs/dbraw/zinc/23/51/96/518235196.db2.gz NUDXLQCBVNVZGE-UHFFFAOYSA-N 0 0 231.093 2.030 10 0 BEAERN C[C@@H](CO)CN1C[C@@H](C)c2ccccc21 ZINC000120627989 490065947 /nfs/dbraw/zinc/06/59/47/490065947.db2.gz KLBGFRUIKAHHKW-GHMZBOCLSA-N 0 0 205.301 2.239 10 0 BEAERN COC1CCN(c2ncc(N)cc2C2CC2)CC1 ZINC000584645257 490182586 /nfs/dbraw/zinc/18/25/86/490182586.db2.gz DENQHWHTGJGMMN-UHFFFAOYSA-N 0 0 247.342 2.156 10 0 BEAERN Fc1ccc(N2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC000584646564 490183499 /nfs/dbraw/zinc/18/34/99/490183499.db2.gz YIZHNRNDAAOCLT-SNVBAGLBSA-N 0 0 248.223 2.166 10 0 BEAERN c1coc([C@@H]2CCCN2Cc2cncnc2)c1 ZINC000124537984 490372651 /nfs/dbraw/zinc/37/26/51/490372651.db2.gz IFUQWFZYNDHPRC-LBPRGKRZSA-N 0 0 229.283 2.407 10 0 BEAERN CC[C@@](C)(CCO)Nc1ncnc2c1CCCC2 ZINC000217814855 490486037 /nfs/dbraw/zinc/48/60/37/490486037.db2.gz KBKGNOLKZAYACK-AWEZNQCLSA-N 0 0 249.358 2.318 10 0 BEAERN c1c[nH]c([C@@H]2CCCN2Cc2cncnc2)c1 ZINC000127460640 490547624 /nfs/dbraw/zinc/54/76/24/490547624.db2.gz UHUROUFYHJJFCM-ZDUSSCGKSA-N 0 0 228.299 2.142 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC000300239709 490552572 /nfs/dbraw/zinc/55/25/72/490552572.db2.gz DIARNYKZBISODI-JHJVBQTASA-N 0 0 239.359 2.044 10 0 BEAERN C[C@@H](OCC1CC1)C(=O)NCCC1=CCCC1 ZINC000131176341 490622084 /nfs/dbraw/zinc/62/20/84/490622084.db2.gz DNBDWOBYHAMIJV-LLVKDONJSA-N 0 0 237.343 2.418 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1scnc1C1CC1 ZINC000089814853 491120017 /nfs/dbraw/zinc/12/00/17/491120017.db2.gz IFYNICJBCIZDKA-SVRRBLITSA-N 0 0 222.313 2.159 10 0 BEAERN COc1ccc([C@@H](C)[NH2+]C2CSC2)cc1 ZINC000215966525 491124814 /nfs/dbraw/zinc/12/48/14/491124814.db2.gz LNPSRRDMLPLGNF-SECBINFHSA-N 0 0 223.341 2.461 10 0 BEAERN C[C@@H](NC(=O)N(C)C1CCC1)C1CCC1 ZINC000127849088 491132811 /nfs/dbraw/zinc/13/28/11/491132811.db2.gz QGPLCHJIMRAKSX-SECBINFHSA-N 0 0 210.321 2.369 10 0 BEAERN Cc1nccc(C(=O)NCCC2=CCCC2)n1 ZINC000131115266 491133366 /nfs/dbraw/zinc/13/33/66/491133366.db2.gz XEMVGBUZDMHLFV-UHFFFAOYSA-N 0 0 231.299 2.015 10 0 BEAERN CC(C)[C@H](C)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000019906282 491138577 /nfs/dbraw/zinc/13/85/77/491138577.db2.gz OFHIFRTVXWAREW-VIFPVBQESA-N 0 0 246.310 2.369 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@H]1C ZINC000132903274 491141995 /nfs/dbraw/zinc/14/19/95/491141995.db2.gz RAINZNSZWRMRHR-HTRCEHHLSA-N 0 0 208.261 2.140 10 0 BEAERN CC(C)c1nsc(N[C@H]2CCC[C@@H](O)C2)n1 ZINC000309341006 491148054 /nfs/dbraw/zinc/14/80/54/491148054.db2.gz KIAZLNVSTQGAKR-DTWKUNHWSA-N 0 0 241.360 2.377 10 0 BEAERN CC(C)CCN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000133329814 491150891 /nfs/dbraw/zinc/15/08/91/491150891.db2.gz HYSGAMZNJVLDFD-LLVKDONJSA-N 0 0 249.358 2.334 10 0 BEAERN CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cscn2)C1 ZINC000309894958 491157941 /nfs/dbraw/zinc/15/79/41/491157941.db2.gz FMUYRRQMOFLWDQ-GARJFASQSA-N 0 0 239.388 2.134 10 0 BEAERN CC[N@H+]1C[C@H](N[C@H](C)c2cscn2)[C@@H](C)C1 ZINC000309894954 491157967 /nfs/dbraw/zinc/15/79/67/491157967.db2.gz FMUYRRQMOFLWDQ-AXFHLTTASA-N 0 0 239.388 2.134 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]1(C)C1CCCC1 ZINC000234596263 582461194 /nfs/dbraw/zinc/46/11/94/582461194.db2.gz MNUBBIQANFVOLH-ZJUUUORDSA-N 0 0 218.680 2.074 10 0 BEAERN CCC[C@H]1N=C(OCC)CN=C1OCC ZINC000757128706 582504181 /nfs/dbraw/zinc/50/41/81/582504181.db2.gz ROMAXBUTFKHFPL-SECBINFHSA-N 0 0 212.293 2.039 10 0 BEAERN CC[C@@H](C)[C@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757132930 582508470 /nfs/dbraw/zinc/50/84/70/582508470.db2.gz VHPHXEKCUIARHN-SVRRBLITSA-N 0 0 243.328 2.318 10 0 BEAERN CCC[C@@H]1CC[NH2+][C@@]2(COC(C)(C)C2)O1 ZINC000757153865 582537939 /nfs/dbraw/zinc/53/79/39/582537939.db2.gz YDKKUUNLANPEIC-ZYHUDNBSSA-N 0 0 213.321 2.060 10 0 BEAERN Cc1cc(C[C@@H](O)C(C)(C)O)ccc1Cl ZINC000757153744 582538594 /nfs/dbraw/zinc/53/85/94/582538594.db2.gz RLLHNRRXDDSJKY-LLVKDONJSA-N 0 0 228.719 2.323 10 0 BEAERN COCC(=O)CSCc1ccc(Cl)o1 ZINC000757165756 582546431 /nfs/dbraw/zinc/54/64/31/582546431.db2.gz OVBBWEISOARREY-UHFFFAOYSA-N 0 0 234.704 2.382 10 0 BEAERN O[C@@H](CF)CSCc1ccc(Cl)o1 ZINC000757165878 582548306 /nfs/dbraw/zinc/54/83/06/582548306.db2.gz QHHIBBVCUZVRTK-LURJTMIESA-N 0 0 224.684 2.497 10 0 BEAERN CCc1ccc(CS[C@H](C)CO)o1 ZINC000757172563 582551982 /nfs/dbraw/zinc/55/19/82/582551982.db2.gz YBMKEADBEHAECR-MRVPVSSYSA-N 0 0 200.303 2.456 10 0 BEAERN Cc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])cc1Cl ZINC000757185396 582554680 /nfs/dbraw/zinc/55/46/80/582554680.db2.gz UIVDTNDWZYDAAL-NXEZZACHSA-N 0 0 239.702 2.036 10 0 BEAERN COC(=O)/C=C1\CCOc2c(F)cccc21 ZINC000757192733 582557192 /nfs/dbraw/zinc/55/71/92/582557192.db2.gz RPNNTIXWLCYSSD-BQYQJAHWSA-N 0 0 222.215 2.165 10 0 BEAERN CCOC(=O)c1nc([C@H](C)CC)ncc1C ZINC000300979782 582599093 /nfs/dbraw/zinc/59/90/93/582599093.db2.gz UCFNBEPXMKCCCZ-MRVPVSSYSA-N 0 0 222.288 2.475 10 0 BEAERN Cc1cnn2c1NCC[C@H]2c1nccs1 ZINC000235971499 582633374 /nfs/dbraw/zinc/63/33/74/582633374.db2.gz JIDLMFJMQGBOGK-QMMMGPOBSA-N 0 0 220.301 2.053 10 0 BEAERN CCO[C@H]1CCCN(c2cccc(N)c2)C1 ZINC000042421299 535620958 /nfs/dbraw/zinc/62/09/58/535620958.db2.gz CEFXCEPMMOEJPB-ZDUSSCGKSA-N 0 0 220.316 2.274 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)NC/C=C/c2ccccc2)O1 ZINC000178270365 534209667 /nfs/dbraw/zinc/20/96/67/534209667.db2.gz SRYHZUKKWZQDEZ-VMIDCOPPSA-N 0 0 245.322 2.384 10 0 BEAERN COC(=O)c1nc2[nH]cccc-2c1Cl ZINC000095937133 518021014 /nfs/dbraw/zinc/02/10/14/518021014.db2.gz JGOCCBHMKDICGF-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN Cc1ccc(C)c2sc(NCCO)nc21 ZINC000039110513 518188582 /nfs/dbraw/zinc/18/85/82/518188582.db2.gz OOCNFKOJTSSYLQ-UHFFFAOYSA-N 0 0 222.313 2.317 10 0 BEAERN CC(=O)Cc1nsc(NC2CCCCC2)n1 ZINC000229006881 519438628 /nfs/dbraw/zinc/43/86/28/519438628.db2.gz VHRNFTAJTVUCHG-UHFFFAOYSA-N 0 0 239.344 2.414 10 0 BEAERN CC1(C)C[C@@H](O)c2cc3nc[nH]c3cc21 ZINC000057347029 520528217 /nfs/dbraw/zinc/52/82/17/520528217.db2.gz GIAUMBKASKASBS-LLVKDONJSA-N 0 0 202.257 2.278 10 0 BEAERN CCCc1noc([C@@H](CC)C(=O)OCC)n1 ZINC000057353541 521592870 /nfs/dbraw/zinc/59/28/70/521592870.db2.gz ASVNDMUXCZTOEB-MRVPVSSYSA-N 0 0 226.276 2.079 10 0 BEAERN CC(C)(C)CNC(=O)N1C[C@H]2CCC[C@H]21 ZINC000336006959 534609757 /nfs/dbraw/zinc/60/97/57/534609757.db2.gz JGEDRLCNEMKEJY-NXEZZACHSA-N 0 0 210.321 2.226 10 0 BEAERN CCc1noc(NCc2ccc(C)o2)n1 ZINC000057353937 522901720 /nfs/dbraw/zinc/90/17/20/522901720.db2.gz XLJCZSNAUGQSJX-UHFFFAOYSA-N 0 0 207.233 2.146 10 0 BEAERN COC(=O)[C@H](c1ccc(Cl)c(F)c1)N(C)C ZINC000095532640 523937731 /nfs/dbraw/zinc/93/77/31/523937731.db2.gz YHLGGFYAIOITOB-JTQLQIEISA-N 0 0 245.681 2.255 10 0 BEAERN C[C@H]1CN(Cc2ccccc2)CC(=O)[C@H]1C ZINC000238856731 524626996 /nfs/dbraw/zinc/62/69/96/524626996.db2.gz XAROUNQNJBQCKU-RYUDHWBXSA-N 0 0 217.312 2.344 10 0 BEAERN COc1ccc([C@@H](O)c2c(C)noc2C)cc1 ZINC000062709872 525211926 /nfs/dbraw/zinc/21/19/26/525211926.db2.gz UVTPOSCLOSBZDY-CYBMUJFWSA-N 0 0 233.267 2.382 10 0 BEAERN CC(C)(C)OC(=O)N1CCNc2cccnc21 ZINC000299889676 534840990 /nfs/dbraw/zinc/84/09/90/534840990.db2.gz MVNGGKKUFPYUSJ-UHFFFAOYSA-N 0 0 235.287 2.249 10 0 BEAERN COc1ccc([C@H](O)c2c(C)noc2C)cc1 ZINC000062709875 525378836 /nfs/dbraw/zinc/37/88/36/525378836.db2.gz UVTPOSCLOSBZDY-ZDUSSCGKSA-N 0 0 233.267 2.382 10 0 BEAERN CC(C)(C)[C@@H](O)CNC(=O)C1C(C)(C)C1(C)C ZINC000305152410 526641888 /nfs/dbraw/zinc/64/18/88/526641888.db2.gz PAJAXSPOKPOYDM-VIFPVBQESA-N 0 0 241.375 2.192 10 0 BEAERN CC(C)(C)c1cc2c(s1)NCNC2=O ZINC000504603987 526760876 /nfs/dbraw/zinc/76/08/76/526760876.db2.gz SYNVPIMFSXIUIL-UHFFFAOYSA-N 0 0 210.302 2.158 10 0 BEAERN O=Cc1noc(-c2ccccc2Cl)n1 ZINC000062710095 527155767 /nfs/dbraw/zinc/15/57/67/527155767.db2.gz NKKXRPXYGCIXLN-UHFFFAOYSA-N 0 0 208.604 2.203 10 0 BEAERN Nc1cccc(CCC(=O)NCc2ccco2)c1 ZINC000020186934 527517735 /nfs/dbraw/zinc/51/77/35/527517735.db2.gz KGZQNXUTOUUANI-UHFFFAOYSA-N 0 0 244.294 2.111 10 0 BEAERN CC(C)OC(=O)NCCSCC(F)(F)F ZINC000497231331 527822296 /nfs/dbraw/zinc/82/22/96/527822296.db2.gz ULQUIWGTACPUGG-UHFFFAOYSA-N 0 0 245.266 2.417 10 0 BEAERN CC(C)OC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000496019966 527827570 /nfs/dbraw/zinc/82/75/70/527827570.db2.gz JJQWSENDONVHGW-MXWKQRLJSA-N 0 0 239.315 2.079 10 0 BEAERN CC(C)c1nccnc1N1CCC([C@@H](C)O)CC1 ZINC000472355025 528376170 /nfs/dbraw/zinc/37/61/70/528376170.db2.gz WDMGBAIODNDTAF-LLVKDONJSA-N 0 0 249.358 2.197 10 0 BEAERN CCC(CC)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000193150242 528725698 /nfs/dbraw/zinc/72/56/98/528725698.db2.gz CMZDYKWVJIRBRM-RYUDHWBXSA-N 0 0 227.348 2.090 10 0 BEAERN CCCC[C@H](CC)C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401952452 528900444 /nfs/dbraw/zinc/90/04/44/528900444.db2.gz MESFVTUZKMHBRU-AVGNSLFASA-N 0 0 241.375 2.432 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401691066 529308040 /nfs/dbraw/zinc/30/80/40/529308040.db2.gz FZHSISYFVZLYKM-XQQFMLRXSA-N 0 0 241.375 2.288 10 0 BEAERN CC(C)[C@H](C)N1C(=O)N(C)C2(CCCC2)C1=O ZINC000336211736 534956102 /nfs/dbraw/zinc/95/61/02/534956102.db2.gz GUIDBDKQKAGBTR-JTQLQIEISA-N 0 0 238.331 2.238 10 0 BEAERN CC(C)c1nnc(CN2CC[C@@H](C)[C@H]2C)n1C ZINC000177867025 534977608 /nfs/dbraw/zinc/97/76/08/534977608.db2.gz MEASPWXXJKNZON-GHMZBOCLSA-N 0 0 236.363 2.169 10 0 BEAERN CC(C)CN1c2ccccc2NCC1=O ZINC000041212918 535146810 /nfs/dbraw/zinc/14/68/10/535146810.db2.gz OGCFYIHTKOZBBW-UHFFFAOYSA-N 0 0 204.273 2.101 10 0 BEAERN CC/C=C(\C)C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181174808 535228303 /nfs/dbraw/zinc/22/83/03/535228303.db2.gz YMSSTFUFXFOZEP-RUYJGKKWSA-N 0 0 248.330 2.215 10 0 BEAERN CC1CCN(C(=O)N2C[C@H]3CCC[C@@H]32)CC1 ZINC000334554838 535271442 /nfs/dbraw/zinc/27/14/42/535271442.db2.gz AQAFSRBABJHIRX-NEPJUHHUSA-N 0 0 222.332 2.323 10 0 BEAERN CCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171615666 535296037 /nfs/dbraw/zinc/29/60/37/535296037.db2.gz RQHXFKKKTGSQMM-UHFFFAOYSA-N 0 0 232.327 2.273 10 0 BEAERN CCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000180849950 535296137 /nfs/dbraw/zinc/29/61/37/535296137.db2.gz BWOZJQISZXGRJS-UHFFFAOYSA-N 0 0 248.326 2.170 10 0 BEAERN CCC1CCC(NC(=O)CCCOC)CC1 ZINC000078828691 535319298 /nfs/dbraw/zinc/31/92/98/535319298.db2.gz KWFRDMFUBFKMMW-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN CCCN(CCC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000079487395 535319391 /nfs/dbraw/zinc/31/93/91/535319391.db2.gz VPAYDJUSVHRXLW-NEPJUHHUSA-N 0 0 242.363 2.386 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000154713476 535368987 /nfs/dbraw/zinc/36/89/87/535368987.db2.gz DKTALAHFIUPYMQ-UWVGGRQHSA-N 0 0 213.321 2.249 10 0 BEAERN CC(C)C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000062806278 535376324 /nfs/dbraw/zinc/37/63/24/535376324.db2.gz QIWLTRJNIAXMRC-UHFFFAOYSA-N 0 0 231.295 2.434 10 0 BEAERN CCN1CC(C)(C)C(=O)c2ccc(C)nc21 ZINC000039102048 535444062 /nfs/dbraw/zinc/44/40/62/535444062.db2.gz XDFCEUBJLFONPZ-UHFFFAOYSA-N 0 0 218.300 2.439 10 0 BEAERN CCOCCN1CCCc2c(N)cccc21 ZINC000037906076 535591751 /nfs/dbraw/zinc/59/17/51/535591751.db2.gz XHLKBTZIFXVZGP-UHFFFAOYSA-N 0 0 220.316 2.058 10 0 BEAERN CCC[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000251369788 535595565 /nfs/dbraw/zinc/59/55/65/535595565.db2.gz UKOYICLDYAQKSX-GARJFASQSA-N 0 0 213.321 2.106 10 0 BEAERN CCOC[C@@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000081469501 535684276 /nfs/dbraw/zinc/68/42/76/535684276.db2.gz ZHTCQFQYIDZRQA-NWDGAFQWSA-N 0 0 242.363 2.099 10 0 BEAERN CCOc1cc(N[C@@H](C)C(C)C)ncn1 ZINC000085485654 535685539 /nfs/dbraw/zinc/68/55/39/535685539.db2.gz ODFHPHBYBIMACN-VIFPVBQESA-N 0 0 209.293 2.332 10 0 BEAERN CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)C(C)C ZINC000171579750 535778934 /nfs/dbraw/zinc/77/89/34/535778934.db2.gz URNRKXNJVJTLTG-NWDGAFQWSA-N 0 0 242.363 2.241 10 0 BEAERN CCN(CC(C)(C)O)C(=O)[C@@H]1CCC[C@H]1C ZINC000230173901 535785917 /nfs/dbraw/zinc/78/59/17/535785917.db2.gz VRBDTJGJGATODA-GHMZBOCLSA-N 0 0 227.348 2.042 10 0 BEAERN CC[C@@H](Nc1cc(OC)ncn1)C(C)C ZINC000085485024 535809548 /nfs/dbraw/zinc/80/95/48/535809548.db2.gz ULPMBFQJXALPLA-SECBINFHSA-N 0 0 209.293 2.332 10 0 BEAERN CCn1c(C)nnc1CSC[C@@H]1CCCO1 ZINC000179810766 535977695 /nfs/dbraw/zinc/97/76/95/535977695.db2.gz HZZJPEXPQYPAHK-JTQLQIEISA-N 0 0 241.360 2.019 10 0 BEAERN CCc1cc(N2CCC(=O)CC2)nc(C(C)C)n1 ZINC000045951181 536142794 /nfs/dbraw/zinc/14/27/94/536142794.db2.gz FQIVFPDXXIWXCK-UHFFFAOYSA-N 0 0 247.342 2.332 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1ccccc1N ZINC000036131845 536171287 /nfs/dbraw/zinc/17/12/87/536171287.db2.gz ONTUWNSXVAVIPC-MNOVXSKESA-N 0 0 220.316 2.273 10 0 BEAERN CNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000163821853 536313501 /nfs/dbraw/zinc/31/35/01/536313501.db2.gz OABBZRACVHHMON-UHFFFAOYSA-N 0 0 234.274 2.254 10 0 BEAERN CN1CCOc2c(Cl)c(N)cc(Cl)c21 ZINC000062530779 536446580 /nfs/dbraw/zinc/44/65/80/536446580.db2.gz UKIVXUHOWWBXSX-UHFFFAOYSA-N 0 0 233.098 2.404 10 0 BEAERN COC[C@@H]1CCCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000113578121 536748318 /nfs/dbraw/zinc/74/83/18/536748318.db2.gz ZSMBJIAQTRMLIK-VXGBXAGGSA-N 0 0 242.363 2.099 10 0 BEAERN COC1CCN(c2ccc(C=O)cc2F)CC1 ZINC000037266541 536756952 /nfs/dbraw/zinc/75/69/52/536756952.db2.gz DPMGCPSSCDIOOS-UHFFFAOYSA-N 0 0 237.274 2.253 10 0 BEAERN CC(F)(F)CCC[C@@H](O)c1cn[nH]c1 ZINC000718586060 537926354 /nfs/dbraw/zinc/92/63/54/537926354.db2.gz TYUZQRZELZZQEF-MRVPVSSYSA-N 0 0 204.220 2.269 10 0 BEAERN CC(C)NC(=O)[C@H]1CCCc2ccccc2N1 ZINC000725262931 538089109 /nfs/dbraw/zinc/08/91/09/538089109.db2.gz TWLXAWRTVDZRJH-CYBMUJFWSA-N 0 0 232.327 2.328 10 0 BEAERN CCC(=O)NC[C@@H]1CCCc2ccccc2N1 ZINC000725262922 538089726 /nfs/dbraw/zinc/08/97/26/538089726.db2.gz SXTWWUPDXNQFLA-LBPRGKRZSA-N 0 0 232.327 2.330 10 0 BEAERN CC[NH2+]Cc1occ(CC2CC2)c1C(=O)[O-] ZINC000675051910 566374749 /nfs/dbraw/zinc/37/47/49/566374749.db2.gz XGPWHJXXEFLDNG-UHFFFAOYSA-N 0 0 223.272 2.040 10 0 BEAERN O=C1C[C@H]2C[C@@H]1[C@@H](c1nc(CCC3CC3)no1)C2 ZINC000333700409 566383014 /nfs/dbraw/zinc/38/30/14/566383014.db2.gz QSIQJYZBHWJCPN-AXFHLTTASA-N 0 0 246.310 2.495 10 0 BEAERN O=Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000669371705 566383774 /nfs/dbraw/zinc/38/37/74/566383774.db2.gz RTLISKBWWALKII-UHFFFAOYSA-N 0 0 218.178 2.051 10 0 BEAERN CNS(=O)(=O)[C@H](C)c1c(C)cc(C)cc1C ZINC000669375965 566421990 /nfs/dbraw/zinc/42/19/90/566421990.db2.gz ZXIWQCAVBRVDCJ-LLVKDONJSA-N 0 0 241.356 2.222 10 0 BEAERN c1nc2n(n1)[C@@H](C1CCCCC1)CCN2 ZINC000232472851 566490594 /nfs/dbraw/zinc/49/05/94/566490594.db2.gz HVGGMUSKUFIANG-SNVBAGLBSA-N 0 0 206.293 2.215 10 0 BEAERN c1csc([C@H]2CCNc3[nH+]ccn32)c1 ZINC000232480357 566490798 /nfs/dbraw/zinc/49/07/98/566490798.db2.gz FDVHDFZLQVPPRC-MRVPVSSYSA-N 0 0 205.286 2.350 10 0 BEAERN c1cnc2nn3c(c2c1)NC[C@H]1CCC[C@H]13 ZINC000232483154 566490811 /nfs/dbraw/zinc/49/08/11/566490811.db2.gz PAABZYNGEHJEKN-PSASIEDQSA-N 0 0 214.272 2.198 10 0 BEAERN C1C[C@H]2CNc3c4c(nn3[C@H]2C1)NCCC4 ZINC000232464320 566491051 /nfs/dbraw/zinc/49/10/51/566491051.db2.gz UIIZEGGGSLOAMY-WPRPVWTQSA-N 0 0 218.304 2.008 10 0 BEAERN COc1cc2c(cc1C)C(=O)[C@H](C)C[C@@H]2O ZINC000004098423 560195666 /nfs/dbraw/zinc/19/56/66/560195666.db2.gz UCEGSXPHVOXHBN-KCJUWKMLSA-N 0 0 220.268 2.260 10 0 in-vitro BEAERN O=c1osc2c1c(O)cccc2=S ZINC000005784299 560203182 /nfs/dbraw/zinc/20/31/82/560203182.db2.gz DQGOJKVIMNNGAH-UHFFFAOYSA-N 0 0 212.251 2.290 10 0 in-vitro BEAERN O[C@@H]1c2cc3ccccc3cc2C=C[C@@H]1O ZINC000006118831 560205312 /nfs/dbraw/zinc/20/53/12/560205312.db2.gz UJETWGFPSGKAAS-UONOGXRCSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN CCCC(=O)c1c(O)cc(OC)cc1O ZINC000014817774 560226706 /nfs/dbraw/zinc/22/67/06/560226706.db2.gz SIAXRISTUAUQAK-UHFFFAOYSA-N 0 0 210.229 2.089 10 0 biogenic,in-vitro BEAERN CC(C)CC(=O)NCCc1cc(O)cc(F)c1 ZINC000725262697 566308636 /nfs/dbraw/zinc/30/86/36/566308636.db2.gz DBGFAQFIIFNQQS-UHFFFAOYSA-N 0 0 239.290 2.236 10 0 BEAERN CC[C@H](C(=O)[C@H]1CC1(C)C)C(OC)OC ZINC000397730893 583107595 /nfs/dbraw/zinc/10/75/95/583107595.db2.gz YJEQJSLRNWMANJ-RKDXNWHRSA-N 0 0 214.305 2.247 10 0 BEAERN CCOCCOC(=O)[C@H](C)Cc1ccccc1 ZINC000112119827 588782505 /nfs/dbraw/zinc/78/25/05/588782505.db2.gz DNBSMWOVDYQHIG-GFCCVEGCSA-N 0 0 236.311 2.445 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)OCC1(C)COC1 ZINC000112149307 588783377 /nfs/dbraw/zinc/78/33/77/588783377.db2.gz YSMIBZNHKSNGHA-GFCCVEGCSA-N 0 0 248.322 2.445 10 0 BEAERN CSc1ccc(C(=O)OCC(=O)C2CC2)o1 ZINC000112406006 588797732 /nfs/dbraw/zinc/79/77/32/588797732.db2.gz YXJMOECOIOISNH-UHFFFAOYSA-N 0 0 240.280 2.137 10 0 BEAERN CCO[C@H](C)C(=O)OCCSC(C)(C)C ZINC000112764178 588816417 /nfs/dbraw/zinc/81/64/17/588816417.db2.gz LYRULCJCKNKRCX-SECBINFHSA-N 0 0 234.361 2.486 10 0 BEAERN Cc1nn(C)cc1C(=O)OC[C@H]1CC=CC[C@H]1C ZINC000113011607 588822380 /nfs/dbraw/zinc/82/23/80/588822380.db2.gz IIHJVFGFBNFJPB-ZYHUDNBSSA-N 0 0 248.326 2.488 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]1(C)C1CCCCC1 ZINC000234588259 582460339 /nfs/dbraw/zinc/46/03/39/582460339.db2.gz FPONEIZKTLIZLG-GHMZBOCLSA-N 0 0 232.707 2.464 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@@]12CCC(C)(C)C2 ZINC000234585396 582460506 /nfs/dbraw/zinc/46/05/06/582460506.db2.gz SHCVFWWNQWFTSR-NXEZZACHSA-N 0 0 218.680 2.074 10 0 BEAERN C[C@@H]1C[C@H]1[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000330268352 582478092 /nfs/dbraw/zinc/47/80/92/582478092.db2.gz RCVJWXRCFCWNFE-JLLWLGSASA-N 0 0 234.347 2.424 10 0 BEAERN O=C(n1ccnc1)N1CCCc2ccccc2C1 ZINC000113310842 588831178 /nfs/dbraw/zinc/83/11/78/588831178.db2.gz TUZATPCSVTXTIE-UHFFFAOYSA-N 0 0 241.294 2.300 10 0 BEAERN Clc1cccc(-n2ncc3ncccc32)n1 ZINC000757122887 582497993 /nfs/dbraw/zinc/49/79/93/582497993.db2.gz YYXZCVBZDDPERQ-UHFFFAOYSA-N 0 0 230.658 2.469 10 0 BEAERN CCc1nc([C@@H](O)[C@@H](C)CC)sc1N ZINC000757123792 582498235 /nfs/dbraw/zinc/49/82/35/582498235.db2.gz AYQUJZPQNKBAOJ-XPUUQOCRSA-N 0 0 214.334 2.367 10 0 BEAERN Cc1nc(C(=O)C(C)(C)C)sc1CO ZINC000757124799 582499443 /nfs/dbraw/zinc/49/94/43/582499443.db2.gz OXLSHSLSJLOCCK-UHFFFAOYSA-N 0 0 213.302 2.173 10 0 BEAERN COC[C@@H](C)CNc1ccc2c(c1)CCN2C ZINC000757125202 582499846 /nfs/dbraw/zinc/49/98/46/582499846.db2.gz DFEDJGOQTPYHPH-NSHDSACASA-N 0 0 234.343 2.373 10 0 BEAERN CC1(C(=O)c2ncc(C3OCCO3)s2)CC1 ZINC000757124892 582500347 /nfs/dbraw/zinc/50/03/47/582500347.db2.gz QRAKUSGMNLNGAA-UHFFFAOYSA-N 0 0 239.296 2.171 10 0 BEAERN CC(C)C(=O)c1ncc(C2OCCO2)s1 ZINC000757126113 582500868 /nfs/dbraw/zinc/50/08/68/582500868.db2.gz VGQZZZPOCLEWFR-UHFFFAOYSA-N 0 0 227.285 2.027 10 0 BEAERN COc1ccc2nn3c(c2c1)NCC[C@@H]3C ZINC000235011874 582502569 /nfs/dbraw/zinc/50/25/69/582502569.db2.gz XXJFQQZAMXHAJD-QMMMGPOBSA-N 0 0 217.272 2.422 10 0 BEAERN COc1ccc2nn3c(c2c1)NCC[C@H]3C ZINC000235012209 582503159 /nfs/dbraw/zinc/50/31/59/582503159.db2.gz XXJFQQZAMXHAJD-MRVPVSSYSA-N 0 0 217.272 2.422 10 0 BEAERN CCCC[C@H]1N=C(OCC)CN=C1OCC ZINC000757129469 582504214 /nfs/dbraw/zinc/50/42/14/582504214.db2.gz WTMCITKXWLOTPA-SNVBAGLBSA-N 0 0 226.320 2.429 10 0 BEAERN COC(=O)c1csc([C@H](O)C(C)(C)C)n1 ZINC000757130231 582505459 /nfs/dbraw/zinc/50/54/59/582505459.db2.gz ONUDOECLCJBSRW-ZETCQYMHSA-N 0 0 229.301 2.009 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccc2c(c1)CCN2C ZINC000757133002 582509262 /nfs/dbraw/zinc/50/92/62/582509262.db2.gz SIHAQOKGJYLQTH-GXFFZTMASA-N 0 0 232.327 2.268 10 0 BEAERN Cc1ccoc1CSc1ccc(N)nn1 ZINC000757163647 582544779 /nfs/dbraw/zinc/54/47/79/582544779.db2.gz DJNHSGLNBGNKRT-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1nn(-c2cccnc2C=O)c(C)c1C ZINC000757164104 582546167 /nfs/dbraw/zinc/54/61/67/582546167.db2.gz VJPDVDXUYBTRPN-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN C[C@@H](C1CCOCC1)n1ncc(Cl)c1N ZINC000757164823 582546615 /nfs/dbraw/zinc/54/66/15/582546615.db2.gz BJJIZXCISRXQEJ-ZETCQYMHSA-N 0 0 229.711 2.106 10 0 BEAERN Cc1ccoc1CSC[C@H](O)CF ZINC000757165997 582548015 /nfs/dbraw/zinc/54/80/15/582548015.db2.gz QJMKJYRIKVLXCG-MRVPVSSYSA-N 0 0 204.266 2.152 10 0 BEAERN CC[C@]1(C)C(=O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757169022 582549672 /nfs/dbraw/zinc/54/96/72/582549672.db2.gz UMCAFEVJONKHQX-UFBFGSQYSA-N 0 0 227.304 2.269 10 0 BEAERN CCc1ccc(CSC[C@@H](O)CF)o1 ZINC000757170523 582550753 /nfs/dbraw/zinc/55/07/53/582550753.db2.gz QGLJIXWJISVBOX-QMMMGPOBSA-N 0 0 218.293 2.406 10 0 BEAERN Cc1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])cc1Cl ZINC000757185398 582554764 /nfs/dbraw/zinc/55/47/64/582554764.db2.gz UIVDTNDWZYDAAL-VHSXEESVSA-N 0 0 239.702 2.036 10 0 BEAERN Cc1c(Cl)cccc1[C@@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757195084 582558228 /nfs/dbraw/zinc/55/82/28/582558228.db2.gz ZHDVBUBUGZNTDN-VHSXEESVSA-N 0 0 239.702 2.036 10 0 BEAERN C[C@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213260 582560466 /nfs/dbraw/zinc/56/04/66/582560466.db2.gz IYEDCEOIDRVSOW-JOYOIKCWSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](c2ccccc2)[NH2+]1 ZINC000757216045 582560490 /nfs/dbraw/zinc/56/04/90/582560490.db2.gz OTGWKHMAHHGUKV-USWWRNFRSA-N 0 0 219.284 2.200 10 0 BEAERN C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](c2ccsc2)[NH2+]1 ZINC000757218558 582562480 /nfs/dbraw/zinc/56/24/80/582562480.db2.gz WFGBCZNXWLLJBA-JEZHCXPESA-N 0 0 225.313 2.262 10 0 BEAERN C[C@@H]1CNc2cc(-c3cccnc3)nn2C1 ZINC000235363282 582567008 /nfs/dbraw/zinc/56/70/08/582567008.db2.gz CTPSFRYUARGYDN-SECBINFHSA-N 0 0 214.272 2.007 10 0 BEAERN Cc1cnn2c1NCC[C@@H]2[C@H]1CC[C@@H](C)O1 ZINC000235377242 582570696 /nfs/dbraw/zinc/57/06/96/582570696.db2.gz CARYNJNOXRIHDV-GMTAPVOTSA-N 0 0 221.304 2.116 10 0 BEAERN C[C@H]1C[C@H](C)n2nc3ncccc3c2N1 ZINC000235695653 582602426 /nfs/dbraw/zinc/60/24/26/582602426.db2.gz VCRVEQVVIKUDAB-YUMQZZPRSA-N 0 0 202.261 2.196 10 0 BEAERN Cc1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F ZINC000235714323 582605103 /nfs/dbraw/zinc/60/51/03/582605103.db2.gz JVAMNLZYKFKPKA-BQBZGAKWSA-N 0 0 219.210 2.499 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2nc(C3CCC3)nn21 ZINC000235740150 582606429 /nfs/dbraw/zinc/60/64/29/582606429.db2.gz XPADUICIXXLHSS-JGVFFNPUSA-N 0 0 206.293 2.311 10 0 BEAERN COC(=O)[C@]1(Cl)OC12CCCCCC2 ZINC000234589963 582641435 /nfs/dbraw/zinc/64/14/35/582641435.db2.gz PHPMZBQZDQRQMX-JTQLQIEISA-N 0 0 218.680 2.218 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@@H](C)[C@@H]2C ZINC000234600203 582642444 /nfs/dbraw/zinc/64/24/44/582642444.db2.gz BYNXMEHCICKOBH-IFFSRLJSSA-N 0 0 232.707 2.320 10 0 BEAERN Nc1cccn(Cc2csc(Cl)c2)c1=O ZINC000378991093 582676895 /nfs/dbraw/zinc/67/68/95/582676895.db2.gz JBBRLRXJGUSNHV-UHFFFAOYSA-N 0 0 240.715 2.194 10 0 BEAERN O[C@@H](CCCC(F)(F)F)c1cn[nH]c1 ZINC000379596306 582682592 /nfs/dbraw/zinc/68/25/92/582682592.db2.gz FMXOENFBOIHNAD-ZETCQYMHSA-N 0 0 208.183 2.176 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccnc(Cl)c1F ZINC000891506976 582693576 /nfs/dbraw/zinc/69/35/76/582693576.db2.gz NLMUAWJGJCIBSV-LURJTMIESA-N 0 0 246.669 2.095 10 0 BEAERN C[C@H]1CCC[C@H](n2cccc(N)c2=O)C1 ZINC000725249107 582741383 /nfs/dbraw/zinc/74/13/83/582741383.db2.gz IYVKCUWOOKBTJN-UWVGGRQHSA-N 0 0 206.289 2.182 10 0 BEAERN O=C(Cc1cccs1)OCCc1cccnc1 ZINC000113665535 588848164 /nfs/dbraw/zinc/84/81/64/588848164.db2.gz LWGWUQYMPLDGKU-UHFFFAOYSA-N 0 0 247.319 2.472 10 0 BEAERN Cc1occc1COC(=O)[C@H]1CCCOC1 ZINC000113679388 588848205 /nfs/dbraw/zinc/84/82/05/588848205.db2.gz LBDVCUPPPZIZGY-NSHDSACASA-N 0 0 224.256 2.058 10 0 BEAERN Cc1occc1COC(=O)COCC1CC1 ZINC000113678761 588848253 /nfs/dbraw/zinc/84/82/53/588848253.db2.gz JISHSFPDKOHUCR-UHFFFAOYSA-N 0 0 224.256 2.058 10 0 BEAERN C[C@H](OC(=O)c1cccnc1)c1cccnc1 ZINC000113684648 588850111 /nfs/dbraw/zinc/85/01/11/588850111.db2.gz UNEMBPIYKBGOCO-JTQLQIEISA-N 0 0 228.251 2.395 10 0 BEAERN CCCN(CCO)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000109028784 582809536 /nfs/dbraw/zinc/80/95/36/582809536.db2.gz LHXUZPZXYVDWOY-UONOGXRCSA-N 0 0 247.338 2.021 10 0 BEAERN C[C@@H](OC(=O)C(C1CC1)C1CC1)[C@H]1CCOC1 ZINC000127698501 582818839 /nfs/dbraw/zinc/81/88/39/582818839.db2.gz LQYKXYQYYYQNKO-SKDRFNHKSA-N 0 0 238.327 2.391 10 0 BEAERN Cc1ccc([C@@H](C)Nc2nc(C)nc(N)n2)s1 ZINC000201433152 582860969 /nfs/dbraw/zinc/86/09/69/582860969.db2.gz OSKVYDVEGYNBAW-SSDOTTSWSA-N 0 0 249.343 2.305 10 0 BEAERN Cc1c(N)ccc(=O)n1CCCC(C)C ZINC000389729772 582881677 /nfs/dbraw/zinc/88/16/77/582881677.db2.gz SAOKJMWMVRTYCP-UHFFFAOYSA-N 0 0 208.305 2.175 10 0 BEAERN Cc1cc(N)nn1C[C@H](C)CC(F)F ZINC000701469310 582916665 /nfs/dbraw/zinc/91/66/65/582916665.db2.gz RMOHWHHFKGOPII-ZCFIWIBFSA-N 0 0 203.236 2.065 10 0 BEAERN CCOC(OCC)[C@@H]1CCC2(CC2)C1=O ZINC000706592814 582960488 /nfs/dbraw/zinc/96/04/88/582960488.db2.gz UAQOKYCQUMRYDT-SECBINFHSA-N 0 0 212.289 2.145 10 0 BEAERN COC(OC)[C@@H](C)C(=O)c1ccsc1 ZINC000394367527 582965753 /nfs/dbraw/zinc/96/57/53/582965753.db2.gz UHLTZMAUNAVFAU-ZETCQYMHSA-N 0 0 214.286 2.186 10 0 BEAERN COC(=O)/C=C/c1cncc(Br)c1 ZINC000114500797 588874821 /nfs/dbraw/zinc/87/48/21/588874821.db2.gz UTKTVRWHRCXNBA-NSCUHMNNSA-N 0 0 242.072 2.030 10 0 BEAERN COc1cccc(-n2cc(C=O)c(C)n2)c1 ZINC000114450989 588874893 /nfs/dbraw/zinc/87/48/93/588874893.db2.gz LBNIKQZQURNNAD-UHFFFAOYSA-N 0 0 216.240 2.002 10 0 BEAERN CC(C(=O)C(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397584191 583102538 /nfs/dbraw/zinc/10/25/38/583102538.db2.gz IKUFVYIDDLLKJX-RITPCOANSA-N 0 0 204.216 2.072 10 0 BEAERN CC1(C)C[C@@H]1C(O)=CC(=O)C(F)(F)F ZINC000397675607 583106196 /nfs/dbraw/zinc/10/61/96/583106196.db2.gz KJGOTASYDPVANX-RXMQYKEDSA-N 0 0 208.179 2.123 10 0 BEAERN CC[C@@H](C(=O)[C@@H]1CC1(C)C)C(OC)OC ZINC000397730891 583107647 /nfs/dbraw/zinc/10/76/47/583107647.db2.gz YJEQJSLRNWMANJ-IUCAKERBSA-N 0 0 214.305 2.247 10 0 BEAERN CCCCOC(=O)CN[C@H](C)C(C)(C)C ZINC000121532842 583168793 /nfs/dbraw/zinc/16/87/93/583168793.db2.gz SQVRIOYSISWWRP-SNVBAGLBSA-N 0 0 215.337 2.354 10 0 BEAERN CCOC(=O)[C@H](O)C1(F)C[C@H](C)C[C@@H](C)C1 ZINC000675052469 583301824 /nfs/dbraw/zinc/30/18/24/583301824.db2.gz FJICFNFYTZRXJF-BBBLOLIVSA-N 0 0 232.295 2.075 10 0 BEAERN Nc1cnn(Cc2c(Cl)cccc2Cl)n1 ZINC000725250607 583572809 /nfs/dbraw/zinc/57/28/09/583572809.db2.gz MSEAPYWPTBFNOQ-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN CC(C)C1CCC([C@H]2C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000310442835 583586915 /nfs/dbraw/zinc/58/69/15/583586915.db2.gz XGFNLJPRJUNPBX-FIYWTHMPSA-N 0 0 239.359 2.369 10 0 BEAERN C[C@@H]1CC(O)=C(C(=O)C(F)F)[C@@H](C)C1 ZINC000203686401 583983092 /nfs/dbraw/zinc/98/30/92/583983092.db2.gz FDBZOWBNGBLLQA-HAFWLYHUSA-N 0 0 204.216 2.072 10 0 BEAERN C[C@@H]1C[NH2+]CC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000200243871 588964050 /nfs/dbraw/zinc/96/40/50/588964050.db2.gz YUBKPEFREFGXQO-SKDRFNHKSA-N 0 0 219.284 2.098 10 0 BEAERN C[C@@H]1C[NH2+]CC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000200244467 588964295 /nfs/dbraw/zinc/96/42/95/588964295.db2.gz YUBKPEFREFGXQO-BXKDBHETSA-N 0 0 219.284 2.098 10 0 BEAERN C/C=C/[C@H](O)C(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000900735971 584347871 /nfs/dbraw/zinc/34/78/71/584347871.db2.gz VEAHLJRGEXFSAO-SCBUBVSKSA-N 0 0 249.310 2.189 10 0 BEAERN CCC1(CC)[C@H](OC(C)=O)C[C@@H]1OC ZINC000131220328 585025324 /nfs/dbraw/zinc/02/53/24/585025324.db2.gz FTBYRHMCZMWDCH-VHSXEESVSA-N 0 0 200.278 2.143 10 0 BEAERN CCCCc1ncc(C(=O)OCC)c(C)n1 ZINC000228788520 585025616 /nfs/dbraw/zinc/02/56/16/585025616.db2.gz YKRLSCJMSYYIQG-UHFFFAOYSA-N 0 0 222.288 2.304 10 0 BEAERN CCCC[C@H](CC)CNC(=O)C[C@H](C)O ZINC000002019928 585039306 /nfs/dbraw/zinc/03/93/06/585039306.db2.gz WTBQLHRVRKXSPX-QWRGUYRKSA-N 0 0 215.337 2.090 10 0 in-man BEAERN COCCCCOC(=O)C[C@H]1C=CCC1 ZINC000103334049 585095146 /nfs/dbraw/zinc/09/51/46/585095146.db2.gz UYWVBUBSKSEYJE-NSHDSACASA-N 0 0 212.289 2.313 10 0 BEAERN COC[C@H](C)C(=O)OC1CCCCC1 ZINC000103356249 585096578 /nfs/dbraw/zinc/09/65/78/585096578.db2.gz AKTUVAXBKZTHNP-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN COC[C@@H](C)C(=O)OCc1ccc(F)cc1 ZINC000103357241 585096681 /nfs/dbraw/zinc/09/66/81/585096681.db2.gz KEUNOYDZJYCKBK-SECBINFHSA-N 0 0 226.247 2.151 10 0 BEAERN COC[C@@H](C)C(=O)OCC1CCCC1 ZINC000103552157 585336021 /nfs/dbraw/zinc/33/60/21/585336021.db2.gz IVKGEVRBLJAROW-SECBINFHSA-N 0 0 200.278 2.002 10 0 BEAERN COC(=O)/C=C1/CCCC12CCOCC2 ZINC000300920078 585702852 /nfs/dbraw/zinc/70/28/52/585702852.db2.gz LAWZNVLNWLYQMF-KTKRTIGZSA-N 0 0 210.273 2.067 10 0 BEAERN Nc1ncc(C2=CCOCC2)cc1Cl ZINC000757564455 586254399 /nfs/dbraw/zinc/25/43/99/586254399.db2.gz APILZNRCGVEWEL-UHFFFAOYSA-N 0 0 210.664 2.121 10 0 BEAERN COC[C@@H](C)C(=O)OCCc1cccs1 ZINC000103688657 586412756 /nfs/dbraw/zinc/41/27/56/586412756.db2.gz XGGJBMVRCPDSQY-SECBINFHSA-N 0 0 228.313 2.116 10 0 BEAERN C[C@@H](OCC1CC1)C(=O)OCC(C)(C)C ZINC000103699431 586418420 /nfs/dbraw/zinc/41/84/20/586418420.db2.gz CYUWHGUDSDEJNT-SECBINFHSA-N 0 0 214.305 2.391 10 0 BEAERN Cc1nn(C)c(C)c1CC(=O)OCC(C)(C)C ZINC000103701382 586418885 /nfs/dbraw/zinc/41/88/85/586418885.db2.gz RUHDZQCEDFGIBL-UHFFFAOYSA-N 0 0 238.331 2.169 10 0 BEAERN Cc1cc(C[C@H](NN)C2CC2)ccc1Cl ZINC000757156669 586430560 /nfs/dbraw/zinc/43/05/60/586430560.db2.gz JHLCHTZWANLURY-LBPRGKRZSA-N 0 0 224.735 2.433 10 0 BEAERN CC[C@@H](Cc1ccc(Cl)c(C)c1)NN ZINC000757161648 586432329 /nfs/dbraw/zinc/43/23/29/586432329.db2.gz XLHNKIVXXRVFBP-JTQLQIEISA-N 0 0 212.724 2.433 10 0 BEAERN CC(C)(C)OC(=O)N[C@@H]1CC(=O)C12CCCC2 ZINC000757168948 586432795 /nfs/dbraw/zinc/43/27/95/586432795.db2.gz PHWLSGVDLVYDCJ-SECBINFHSA-N 0 0 239.315 2.413 10 0 BEAERN CC(C)C(c1nn(C)cc1CO)C(C)C ZINC000757175343 586433190 /nfs/dbraw/zinc/43/31/90/586433190.db2.gz DGQZGJJEVXFYRD-UHFFFAOYSA-N 0 0 210.321 2.308 10 0 BEAERN CC[N@@H+]1C[C@H](C(=O)[O-])[C@@H](c2cc(C)ccc2C)C1 ZINC000757183163 586433499 /nfs/dbraw/zinc/43/34/99/586433499.db2.gz CAZPCLFWGFMMHE-KGLIPLIRSA-N 0 0 247.338 2.423 10 0 BEAERN CCOC(=O)[C@]1(F)C[C@@H](C(C)C)CCC1=O ZINC000757182038 586433579 /nfs/dbraw/zinc/43/35/79/586433579.db2.gz FFARWKSEJFLGDS-CABZTGNLSA-N 0 0 230.279 2.283 10 0 BEAERN CCOC(=O)[C@@]1(F)C[C@H](CC)CCC1=O ZINC000757182873 586433754 /nfs/dbraw/zinc/43/37/54/586433754.db2.gz LYWLGNZEJMTSFL-LDYMZIIASA-N 0 0 216.252 2.037 10 0 BEAERN COC(=O)[C@]1(F)C(=O)CC(C)(C)CC1(C)C ZINC000757183565 586434222 /nfs/dbraw/zinc/43/42/22/586434222.db2.gz PPLYYXAKNPIFKO-GFCCVEGCSA-N 0 0 230.279 2.283 10 0 BEAERN [NH3+][C@H]1CCC2(CC2)c2cc(C(=O)[O-])ccc21 ZINC000757187061 586434674 /nfs/dbraw/zinc/43/46/74/586434674.db2.gz JOYAZWMMNNCPKQ-NSHDSACASA-N 0 0 217.268 2.210 10 0 BEAERN CCOC(=O)/C=C(/CC)[C@@H]1CCCOC1 ZINC000757189144 586435257 /nfs/dbraw/zinc/43/52/57/586435257.db2.gz FSTSCMXYTFXWHB-HIJJYWJESA-N 0 0 212.289 2.313 10 0 BEAERN COC(=O)[C@@H](CO)C1CCC(C(C)C)CC1 ZINC000757191544 586435501 /nfs/dbraw/zinc/43/55/01/586435501.db2.gz ILRZPKROTXHMJQ-MCIGGMRASA-N 0 0 228.332 2.230 10 0 BEAERN COC(=O)/C=C1\COc2c1cccc2Cl ZINC000757192892 586435944 /nfs/dbraw/zinc/43/59/44/586435944.db2.gz WEFCZJHYZBOPHR-FNORWQNLSA-N 0 0 224.643 2.289 10 0 BEAERN CC[N@H+]1C[C@@H](c2cccc(C)c2C)[C@H](C(=O)[O-])C1 ZINC000757194148 586436300 /nfs/dbraw/zinc/43/63/00/586436300.db2.gz YPUVFINYPPGDAY-UONOGXRCSA-N 0 0 247.338 2.423 10 0 BEAERN Cc1csc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])c1Cl ZINC000757194158 586436508 /nfs/dbraw/zinc/43/65/08/586436508.db2.gz VWSKONUWOWCCMG-RNFRBKRXSA-N 0 0 245.731 2.098 10 0 BEAERN C[C@@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC000757208583 586437862 /nfs/dbraw/zinc/43/78/62/586437862.db2.gz AAGAQZPSIOMYGL-BXKDBHETSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@H]1CCC[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757212190 586438763 /nfs/dbraw/zinc/43/87/63/586438763.db2.gz HOPOQDLZOBZTEH-CABZTGNLSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757214979 586440333 /nfs/dbraw/zinc/44/03/33/586440333.db2.gz MEIGZKKCESQEIJ-CABZTGNLSA-N 0 0 219.284 2.445 10 0 BEAERN O=C([O-])[C@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757217667 586441878 /nfs/dbraw/zinc/44/18/78/586441878.db2.gz RXJDQERRRBFUNA-JQWIXIFHSA-N 0 0 244.294 2.293 10 0 BEAERN O=C([O-])[C@H]1C[C@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757220821 586442264 /nfs/dbraw/zinc/44/22/64/586442264.db2.gz ZOLVFHBCEARJTO-ZYHUDNBSSA-N 0 0 244.294 2.088 10 0 BEAERN C[C@H]1C[C@H](c2ccc(C(=O)[O-])cc2)CC[NH2+]1 ZINC000757239658 586444109 /nfs/dbraw/zinc/44/41/09/586444109.db2.gz VPIOIRKYOWRIRP-JOYOIKCWSA-N 0 0 219.284 2.240 10 0 BEAERN COc1cccc(C23CC(C2)CC3=O)c1 ZINC000757546985 586459479 /nfs/dbraw/zinc/45/94/79/586459479.db2.gz WGHKCSGRSJBVPK-UHFFFAOYSA-N 0 0 202.253 2.316 10 0 BEAERN CNc1nc(-c2nccs2)nc2[nH]ccc21 ZINC000757564651 586460680 /nfs/dbraw/zinc/46/06/80/586460680.db2.gz DWLSMJZCUCQXIV-UHFFFAOYSA-N 0 0 231.284 2.075 10 0 BEAERN CCNc1nc([C@H](C)OCC)nc2[nH]ccc21 ZINC000757564182 586461247 /nfs/dbraw/zinc/46/12/47/586461247.db2.gz BMTDOOKVXYMOGO-QMMMGPOBSA-N 0 0 234.303 2.439 10 0 BEAERN Cc1ccc(C2=CCOCC2)c2c1NC(=O)C2 ZINC000757570992 586462342 /nfs/dbraw/zinc/46/23/42/586462342.db2.gz GQONYHTZWFVMAW-UHFFFAOYSA-N 0 0 229.279 2.293 10 0 BEAERN COC[C@@H](C)C(=O)OCc1cccnc1Cl ZINC000103814866 586830550 /nfs/dbraw/zinc/83/05/50/586830550.db2.gz LIOFEJRKJBVFED-MRVPVSSYSA-N 0 0 243.690 2.061 10 0 BEAERN CC(C)(C)/C=C/C(=O)OCCNc1ncccn1 ZINC000117086648 589074432 /nfs/dbraw/zinc/07/44/32/589074432.db2.gz PIEUDKGGDCQPGH-AATRIKPKSA-N 0 0 249.314 2.034 10 0 BEAERN COC[C@@H](C)OC(=O)/C=C/C(C)(C)C ZINC000117097355 589074894 /nfs/dbraw/zinc/07/48/94/589074894.db2.gz BDOOEJJHNNMXIC-XCODYQFDSA-N 0 0 200.278 2.167 10 0 BEAERN CCOCCO[C@@H](C)C(=O)OCC(C)(C)C ZINC000105770079 588221243 /nfs/dbraw/zinc/22/12/43/588221243.db2.gz CVRBBOMSWXGKTK-JTQLQIEISA-N 0 0 232.320 2.017 10 0 BEAERN CCOCCOCC(=O)O[C@@H](C)CC(C)C ZINC000105762465 588221964 /nfs/dbraw/zinc/22/19/64/588221964.db2.gz BUFVIQNUDNYRLP-NSHDSACASA-N 0 0 232.320 2.017 10 0 BEAERN COCCOc1cnc(Br)cc1C ZINC000121561838 588222345 /nfs/dbraw/zinc/22/23/45/588222345.db2.gz LYLLSMYITIIXFQ-UHFFFAOYSA-N 0 0 246.104 2.178 10 0 BEAERN CCCOCCOC(=O)c1sccc1OC ZINC000107412909 588362767 /nfs/dbraw/zinc/36/27/67/588362767.db2.gz QLDGPUOTKZFESN-UHFFFAOYSA-N 0 0 244.312 2.340 10 0 BEAERN CCCOCCOC(=O)[C@@H]1CC1(Cl)Cl ZINC000107415251 588363009 /nfs/dbraw/zinc/36/30/09/588363009.db2.gz WKIQZTOEHJOCAX-ZETCQYMHSA-N 0 0 241.114 2.150 10 0 BEAERN CC(=O)c1cccc(OC(=O)C2=COCCC2)c1 ZINC000107430552 588364627 /nfs/dbraw/zinc/36/46/27/588364627.db2.gz CIYXHZDQNHJEEE-UHFFFAOYSA-N 0 0 246.262 2.489 10 0 BEAERN CSC[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C ZINC000109039500 588512928 /nfs/dbraw/zinc/51/29/28/588512928.db2.gz UKXBHQXGKPLVKB-CIUDSAMLSA-N 0 0 202.319 2.185 10 0 BEAERN CCOCCCOC(=O)c1ccc(COC)o1 ZINC000118152937 589155949 /nfs/dbraw/zinc/15/59/49/589155949.db2.gz VLQKUBOXSVGCJH-UHFFFAOYSA-N 0 0 242.271 2.009 10 0 BEAERN CCOCCCOC(=O)C[C@H]1C=CCC1 ZINC000118153553 589156001 /nfs/dbraw/zinc/15/60/01/589156001.db2.gz ZPMNNFTWMFCPGH-NSHDSACASA-N 0 0 212.289 2.313 10 0 BEAERN CCCCOCC(=O)O[C@H]1CCC[C@H](OC)C1 ZINC000118188232 589160873 /nfs/dbraw/zinc/16/08/73/589160873.db2.gz ZNWOZKFJWXZWCD-RYUDHWBXSA-N 0 0 244.331 2.304 10 0 BEAERN CO[C@@H]1CCC[C@H](OC(=O)C2CC=CC2)C1 ZINC000119365402 589275332 /nfs/dbraw/zinc/27/53/32/589275332.db2.gz OOQKDWRAOMULKP-NEPJUHHUSA-N 0 0 224.300 2.453 10 0 BEAERN Cc1c(C(=O)Oc2ccccc2C)cnn1C ZINC000119607285 589314527 /nfs/dbraw/zinc/31/45/27/589314527.db2.gz VSAHBXXDXNSKQW-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN CCCOC(=O)[C@@H](C)N[C@H](C)C(C)(C)C ZINC000119944275 589348748 /nfs/dbraw/zinc/34/87/48/589348748.db2.gz ZPWAIQZUSOEQSI-NXEZZACHSA-N 0 0 215.337 2.352 10 0 BEAERN CCc1oc(C(=O)OCCc2cn[nH]c2)cc1C ZINC000120264825 589397815 /nfs/dbraw/zinc/39/78/15/589397815.db2.gz VYEDRAFYXSXPGP-UHFFFAOYSA-N 0 0 248.282 2.273 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)OCC(=O)C2CC2)C1 ZINC000120292422 589401025 /nfs/dbraw/zinc/40/10/25/589401025.db2.gz JKRJMGMSECXTBK-ZJUUUORDSA-N 0 0 224.300 2.335 10 0 BEAERN CCOCCOCC(=O)OCC1CCCCC1 ZINC000120480634 589421743 /nfs/dbraw/zinc/42/17/43/589421743.db2.gz UOKPURMNMRDIOK-UHFFFAOYSA-N 0 0 244.331 2.163 10 0 BEAERN CCC(=CC(=O)N[C@H](C)[C@H]1CCCO1)CC ZINC000120717615 589458124 /nfs/dbraw/zinc/45/81/24/589458124.db2.gz WAVQZAOWMDXDSO-ZYHUDNBSSA-N 0 0 225.332 2.417 10 0 BEAERN CCC(=CC(=O)N[C@@H](C)[C@@H]1CCCO1)CC ZINC000120717145 589458393 /nfs/dbraw/zinc/45/83/93/589458393.db2.gz WAVQZAOWMDXDSO-JQWIXIFHSA-N 0 0 225.332 2.417 10 0 BEAERN CCCOCCOC(=O)c1scnc1C ZINC000121620076 589520708 /nfs/dbraw/zinc/52/07/08/589520708.db2.gz QWMJKUBKOATIIC-UHFFFAOYSA-N 0 0 229.301 2.035 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCc2ccccc2)O1 ZINC000122265953 589573726 /nfs/dbraw/zinc/57/37/26/589573726.db2.gz TVGDIQWPYSHGCJ-PWSUYJOCSA-N 0 0 220.268 2.297 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCc2ccccc2F)O1 ZINC000122270630 589574278 /nfs/dbraw/zinc/57/42/78/589574278.db2.gz TVLDCHOTAQAAGQ-CABZTGNLSA-N 0 0 238.258 2.436 10 0 BEAERN O=C(Cc1ccc(F)cc1)OCC(F)(F)F ZINC000122293981 589576959 /nfs/dbraw/zinc/57/69/59/589576959.db2.gz QMWRDANDNJKSIP-UHFFFAOYSA-N 0 0 236.164 2.474 10 0 BEAERN C[C@H]1CC[C@H](C(=O)OCc2cccs2)O1 ZINC000122316238 589578302 /nfs/dbraw/zinc/57/83/02/589578302.db2.gz RAJRLTDXEWIVLL-WCBMZHEXSA-N 0 0 226.297 2.359 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCCc2ccncc2)O1 ZINC000122380377 589585072 /nfs/dbraw/zinc/58/50/72/589585072.db2.gz NADVJYCXXAPHJI-YPMHNXCESA-N 0 0 249.310 2.125 10 0 BEAERN CC/C=C/CCOC(=O)[C@@H]1CC[C@H](C)O1 ZINC000122651074 589614028 /nfs/dbraw/zinc/61/40/28/589614028.db2.gz CQSPSLSKVKLPJD-NNOMMRTBSA-N 0 0 212.289 2.453 10 0 BEAERN Cc1ccc(C(=O)OCc2nccn2C)cc1C ZINC000122711966 589620718 /nfs/dbraw/zinc/62/07/18/589620718.db2.gz DHVZRJRZNQMKMB-UHFFFAOYSA-N 0 0 244.294 2.394 10 0 BEAERN CC(C)CCOCCOC(=O)[C@H]1CC[C@H](C)O1 ZINC000122941566 589644920 /nfs/dbraw/zinc/64/49/20/589644920.db2.gz ITBQUXJLCNOIGV-NWDGAFQWSA-N 0 0 244.331 2.160 10 0 BEAERN CO[C@H]1CCC[C@H](OC(=O)C(C)C)C1 ZINC000123134671 589665823 /nfs/dbraw/zinc/66/58/23/589665823.db2.gz ATBIDDCASQBTHS-UWVGGRQHSA-N 0 0 200.278 2.143 10 0 BEAERN Cn1ccnc1COC(=O)CCC1CCCC1 ZINC000123626072 589759297 /nfs/dbraw/zinc/75/92/97/589759297.db2.gz VXOLUPVKVGKBJB-UHFFFAOYSA-N 0 0 236.315 2.434 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)OCCc2cccs2)O1 ZINC000123686397 589769874 /nfs/dbraw/zinc/76/98/74/589769874.db2.gz ZABJURMDXZGUFB-KOLCDFICSA-N 0 0 240.324 2.401 10 0 BEAERN Cc1cc(NC(C)C)ccc1OCCO ZINC000123699931 589771445 /nfs/dbraw/zinc/77/14/45/589771445.db2.gz UKKDACFGBVGMOC-UHFFFAOYSA-N 0 0 209.289 2.186 10 0 BEAERN Cc1cccc(CNC(=O)C=C2CCC2)n1 ZINC000123793371 589818438 /nfs/dbraw/zinc/81/84/38/589818438.db2.gz JBZNUVBIAYIBNL-UHFFFAOYSA-N 0 0 216.284 2.117 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1noc(C)n1 ZINC000123858867 589830810 /nfs/dbraw/zinc/83/08/10/589830810.db2.gz WFCHQJRVXKZQHU-SNVBAGLBSA-N 0 0 237.303 2.173 10 0 BEAERN CC(=O)[C@@H](C)CCCCC(=O)O[C@@H]1CCOC1 ZINC000124077193 589926683 /nfs/dbraw/zinc/92/66/83/589926683.db2.gz JVAIGOFOVADMQD-CMPLNLGQSA-N 0 0 242.315 2.104 10 0 BEAERN CC(=O)[C@@H](C)CCCCC(=O)O[C@H]1CCOC1 ZINC000124077615 589927300 /nfs/dbraw/zinc/92/73/00/589927300.db2.gz JVAIGOFOVADMQD-JQWIXIFHSA-N 0 0 242.315 2.104 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCC(C)(C)C)O1 ZINC000124098423 589941251 /nfs/dbraw/zinc/94/12/51/589941251.db2.gz IVKSNAAWAJTJKN-IUCAKERBSA-N 0 0 200.278 2.143 10 0 BEAERN COC[C@@H](C)OC(=O)CCCC[C@@H](C)C(C)=O ZINC000124264486 589971466 /nfs/dbraw/zinc/97/14/66/589971466.db2.gz WNNGZJQTWOFDCT-GHMZBOCLSA-N 0 0 244.331 2.350 10 0 BEAERN CCCCSCCC(=O)OCC1(C)COC1 ZINC000124320742 589976505 /nfs/dbraw/zinc/97/65/05/589976505.db2.gz RBDDSPYDKJBAJY-UHFFFAOYSA-N 0 0 246.372 2.490 10 0 BEAERN C[C@@H](N[C@@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000019876640 590025478 /nfs/dbraw/zinc/02/54/78/590025478.db2.gz LFUQTFCTNYIXKM-LDYMZIIASA-N 0 0 239.702 2.306 10 0 BEAERN CO[C@@H](C)CCOC(=O)C1=CCCCC1 ZINC000124522282 590046371 /nfs/dbraw/zinc/04/63/71/590046371.db2.gz DBHLOYIXRNENRM-JTQLQIEISA-N 0 0 212.289 2.455 10 0 BEAERN CC(=O)c1ccc(-n2nc(C)cc2C)nc1 ZINC000124689327 590074813 /nfs/dbraw/zinc/07/48/13/590074813.db2.gz LTRNELDLQOEJBG-UHFFFAOYSA-N 0 0 215.256 2.087 10 0 BEAERN CC(=O)c1ccc(-n2cc(Cl)c(C)n2)nc1 ZINC000124691833 590075508 /nfs/dbraw/zinc/07/55/08/590075508.db2.gz UZKXPQKJSMYLGZ-UHFFFAOYSA-N 0 0 235.674 2.432 10 0 BEAERN CCc1nccn1-c1ccc(C(C)=O)cn1 ZINC000124690887 590076008 /nfs/dbraw/zinc/07/60/08/590076008.db2.gz IOAJVAIDPKKRLC-UHFFFAOYSA-N 0 0 215.256 2.032 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Oc2ccc(F)cc2)O1 ZINC000124780805 590084355 /nfs/dbraw/zinc/08/43/55/590084355.db2.gz HNAAXNLWHILJQL-GZMMTYOYSA-N 0 0 224.231 2.299 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Oc2ccccc2F)O1 ZINC000124772529 590084612 /nfs/dbraw/zinc/08/46/12/590084612.db2.gz HVYMRGOHWJYBOJ-KCJUWKMLSA-N 0 0 224.231 2.299 10 0 BEAERN C[C@H](O)c1ccc(N2CCC[C@@H]2C)nc1 ZINC000124921457 590101948 /nfs/dbraw/zinc/10/19/48/590101948.db2.gz BYAJPJJWNFIQAN-UWVGGRQHSA-N 0 0 206.289 2.124 10 0 BEAERN C[C@@H](O)c1ccc(N2CCSC[C@H]2C)nc1 ZINC000124944319 590102947 /nfs/dbraw/zinc/10/29/47/590102947.db2.gz HHKBPNZKIFPDRF-NXEZZACHSA-N 0 0 238.356 2.077 10 0 BEAERN C[C@@H](O)c1ccc(N2CCSC[C@@H]2C)nc1 ZINC000124944454 590103119 /nfs/dbraw/zinc/10/31/19/590103119.db2.gz HHKBPNZKIFPDRF-VHSXEESVSA-N 0 0 238.356 2.077 10 0 BEAERN CC(=O)O[C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000125002016 590109080 /nfs/dbraw/zinc/10/90/80/590109080.db2.gz MFSMEKVLPBDQPQ-MNOVXSKESA-N 0 0 214.305 2.389 10 0 BEAERN Cc1cc(C(=O)N[C@H](C)C(C)C)ccc1N ZINC000020522406 590118486 /nfs/dbraw/zinc/11/84/86/590118486.db2.gz VVGWBADJAPPIKH-SNVBAGLBSA-N 0 0 220.316 2.352 10 0 BEAERN Cn1ccnc1COC(=O)c1ccc(Cl)o1 ZINC000125104179 590120703 /nfs/dbraw/zinc/12/07/03/590120703.db2.gz GQDRDWNWUJOHMB-UHFFFAOYSA-N 0 0 240.646 2.024 10 0 BEAERN Nc1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1 ZINC000020557307 590121251 /nfs/dbraw/zinc/12/12/51/590121251.db2.gz VFWYJUXIPLDXMH-LLVKDONJSA-N 0 0 245.282 2.040 10 0 BEAERN CC(C)NC(=S)NC[C@H](C)C(C)C ZINC000125372356 590162766 /nfs/dbraw/zinc/16/27/66/590162766.db2.gz GTKHTBJYAHQFFQ-VIFPVBQESA-N 0 0 202.367 2.151 10 0 BEAERN CC(C)CNC(=S)NC[C@@H](C)C(C)C ZINC000125370618 590162837 /nfs/dbraw/zinc/16/28/37/590162837.db2.gz LGWFOQHLHUACDE-SNVBAGLBSA-N 0 0 216.394 2.399 10 0 BEAERN CCc1ccc(C(=O)OCCF)s1 ZINC000125564562 590170792 /nfs/dbraw/zinc/17/07/92/590170792.db2.gz KTLOIABPDYBFNN-UHFFFAOYSA-N 0 0 202.250 2.437 10 0 BEAERN Cc1cccc(C(=O)OC2CCOCC2)c1F ZINC000126102813 590230186 /nfs/dbraw/zinc/23/01/86/590230186.db2.gz DORNQMFMESIPAQ-UHFFFAOYSA-N 0 0 238.258 2.470 10 0 BEAERN C[C@@H](OC(=O)Cc1ccoc1)C(F)(F)F ZINC000126402522 590301415 /nfs/dbraw/zinc/30/14/15/590301415.db2.gz RLJOBSYGTVCHDG-ZCFIWIBFSA-N 0 0 222.162 2.316 10 0 BEAERN O=C(Cc1ccoc1)OC1(C2CC2)CC1 ZINC000126411404 590301891 /nfs/dbraw/zinc/30/18/91/590301891.db2.gz JAXLHHTTYBVTMD-UHFFFAOYSA-N 0 0 206.241 2.308 10 0 BEAERN Cc1ccc([C@@H](C)N[C@@H]2CCOC2=O)cc1F ZINC000126592942 590356232 /nfs/dbraw/zinc/35/62/32/590356232.db2.gz CRNKKOHMSUVNCM-BXKDBHETSA-N 0 0 237.274 2.100 10 0 BEAERN CCCC[C@@H](C)OC(=O)Cc1cnn(C)c1 ZINC000126655733 590392740 /nfs/dbraw/zinc/39/27/40/590392740.db2.gz AFOYBSWFCPVCBB-SNVBAGLBSA-N 0 0 224.304 2.085 10 0 BEAERN CCCC[C@H](C)OC(=O)CCc1nc(C)no1 ZINC000126746347 590432570 /nfs/dbraw/zinc/43/25/70/590432570.db2.gz VRNAEVSBUVTTRG-VIFPVBQESA-N 0 0 240.303 2.433 10 0 BEAERN CCc1cc(C)c(C(=O)OCCCOC)o1 ZINC000126791208 590446041 /nfs/dbraw/zinc/44/60/41/590446041.db2.gz QBQKVROBMDFYJY-UHFFFAOYSA-N 0 0 226.272 2.344 10 0 BEAERN CCc1cc(C)c(C(=O)OC[C@H]2CCCO2)o1 ZINC000126798297 590446735 /nfs/dbraw/zinc/44/67/35/590446735.db2.gz FBRGWXXRGRANQD-LLVKDONJSA-N 0 0 238.283 2.486 10 0 BEAERN CCCC[C@@H](C)OC(=O)c1ccc(=O)n(C)c1 ZINC000126804339 590457792 /nfs/dbraw/zinc/45/77/92/590457792.db2.gz AXWPXXPZMQIIEZ-SNVBAGLBSA-N 0 0 237.299 2.121 10 0 BEAERN C[C@H](OC(=O)Cc1ccoc1)C1CCOCC1 ZINC000126829822 590462826 /nfs/dbraw/zinc/46/28/26/590462826.db2.gz UYDDVJORVLCCQV-JTQLQIEISA-N 0 0 238.283 2.180 10 0 BEAERN CC[C@@H](C)C(=O)OCCc1c(C)nn(C)c1C ZINC000126934949 590510522 /nfs/dbraw/zinc/51/05/22/590510522.db2.gz YZZFBLMYFKUROT-SECBINFHSA-N 0 0 238.331 2.169 10 0 BEAERN Cc1nn(C)c(C)c1CCOC(=O)c1ccco1 ZINC000126995175 590527481 /nfs/dbraw/zinc/52/74/81/590527481.db2.gz ZESVNUBCRVSFIK-UHFFFAOYSA-N 0 0 248.282 2.029 10 0 BEAERN CC1(OC(=O)CCOCC(F)(F)F)CCC1 ZINC000126995813 590527670 /nfs/dbraw/zinc/52/76/70/590527670.db2.gz UEYFLZYFSYTAAO-UHFFFAOYSA-N 0 0 240.221 2.441 10 0 BEAERN Cc1ccc(C(=O)OC2(C)CCC2)n1C ZINC000127014007 590533588 /nfs/dbraw/zinc/53/35/88/590533588.db2.gz ALYCPUJDDWXNOJ-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN Cn1ccnc1COC(=O)C1=CCCCCC1 ZINC000127057550 590552698 /nfs/dbraw/zinc/55/26/98/590552698.db2.gz KLMDTZWYTGIBSQ-UHFFFAOYSA-N 0 0 234.299 2.354 10 0 BEAERN CC(C)[C@@H](C)OC(=O)CCOC1CCOCC1 ZINC000127083293 590560567 /nfs/dbraw/zinc/56/05/67/590560567.db2.gz KOOAVXXXSNMDDV-LLVKDONJSA-N 0 0 244.331 2.160 10 0 BEAERN COC(=O)[C@@H](CC(C)C)OC(=O)[C@H]1CC1(C)C ZINC000127327274 590621686 /nfs/dbraw/zinc/62/16/86/590621686.db2.gz NAQCKPOQYNSMQL-NXEZZACHSA-N 0 0 242.315 2.163 10 0 BEAERN CC(C)[C@@H](C)OC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000127392906 590636369 /nfs/dbraw/zinc/63/63/69/590636369.db2.gz MYOMPOWULHYEFX-NXEZZACHSA-N 0 0 243.347 2.125 10 0 BEAERN CO[C@H](C)CCOC(=O)[C@H]1CC1(C)C ZINC000127532368 590701559 /nfs/dbraw/zinc/70/15/59/590701559.db2.gz UTOYIQAKIXMXHF-RKDXNWHRSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCC(F)(F)F ZINC000127536692 590702188 /nfs/dbraw/zinc/70/21/88/590702188.db2.gz PLNVXEFOJUWYSK-SVRRBLITSA-N 0 0 238.205 2.097 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CC1(C)C)[C@H]1CCOC1 ZINC000127699423 590757264 /nfs/dbraw/zinc/75/72/64/590757264.db2.gz YWBRFXNULULQLY-KXUCPTDWSA-N 0 0 212.289 2.001 10 0 BEAERN Cc1nn(C)c(C)c1CCOC(=O)C(C)(C)C ZINC000127716566 590758490 /nfs/dbraw/zinc/75/84/90/590758490.db2.gz MIQTYQWQWTYWCQ-UHFFFAOYSA-N 0 0 238.331 2.169 10 0 BEAERN C[C@@H]1CC[C@@H](C)N(C(=S)NC2CC2)C1 ZINC000127942845 590849279 /nfs/dbraw/zinc/84/92/79/590849279.db2.gz UTORUUZRTFKVRH-RKDXNWHRSA-N 0 0 212.362 2.144 10 0 BEAERN CCCNC(=S)N1C[C@H](C)CC[C@@H]1C ZINC000127948196 590849425 /nfs/dbraw/zinc/84/94/25/590849425.db2.gz VZSXXYNLHZIFBX-ZJUUUORDSA-N 0 0 214.378 2.391 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H](C)OCC1CC1 ZINC000128074351 590885961 /nfs/dbraw/zinc/88/59/61/590885961.db2.gz KDIPVYCKDDDKQZ-UWVGGRQHSA-N 0 0 214.305 2.389 10 0 BEAERN C[C@@H]1CN(C(=O)N2CCCCC2)C[C@H](C)S1 ZINC000128312309 590977965 /nfs/dbraw/zinc/97/79/65/590977965.db2.gz FASZSQJXNYADRC-PHIMTYICSA-N 0 0 242.388 2.418 10 0 BEAERN C[C@H]1CN(C(=O)N2CCCCC2)C[C@H]1C ZINC000128322552 590988787 /nfs/dbraw/zinc/98/87/87/590988787.db2.gz YPORAHLDADBHKQ-PHIMTYICSA-N 0 0 210.321 2.180 10 0 BEAERN C=COCCOC(=O)c1cnc(CC)s1 ZINC000128364268 591010520 /nfs/dbraw/zinc/01/05/20/591010520.db2.gz SYONKOPEZNDYLE-UHFFFAOYSA-N 0 0 227.285 2.022 10 0 BEAERN C=COCCOC(=O)Cc1ccc(F)c(F)c1 ZINC000128388296 591016884 /nfs/dbraw/zinc/01/68/84/591016884.db2.gz QRZIQXQJEVEVMG-UHFFFAOYSA-N 0 0 242.221 2.211 10 0 BEAERN CN(Cc1cccs1)C(=O)n1ccnc1 ZINC000211299425 591152276 /nfs/dbraw/zinc/15/22/76/591152276.db2.gz YUCPCXIPMDRTIW-UHFFFAOYSA-N 0 0 221.285 2.045 10 0 BEAERN C[C@@H](O)c1ccn(Cc2ccc(Cl)nc2)n1 ZINC000128826847 591165646 /nfs/dbraw/zinc/16/56/46/591165646.db2.gz QQGGOGXEENKYJF-MRVPVSSYSA-N 0 0 237.690 2.033 10 0 BEAERN Cc1ccc(CCn2ccc([C@@H](C)O)n2)cc1 ZINC000128871519 591171156 /nfs/dbraw/zinc/17/11/56/591171156.db2.gz TXZULVUFESNETR-GFCCVEGCSA-N 0 0 230.311 2.488 10 0 BEAERN C[C@@H](O)c1cccc(OCc2ccn(C)n2)c1 ZINC000211629350 591209381 /nfs/dbraw/zinc/20/93/81/591209381.db2.gz RWCKLXNSIMOVOZ-SNVBAGLBSA-N 0 0 232.283 2.052 10 0 BEAERN CCCC(CCC)C(=O)N[C@@H](C)C(OC)OC ZINC000211899574 591275064 /nfs/dbraw/zinc/27/50/64/591275064.db2.gz KREBVLMANVYXBZ-JTQLQIEISA-N 0 0 245.363 2.326 10 0 BEAERN COC(=O)/C=C1/CCc2ccc(C)cc21 ZINC000129387859 591287491 /nfs/dbraw/zinc/28/74/91/591287491.db2.gz XMAJSEFKCQADKA-FLIBITNWSA-N 0 0 202.253 2.498 10 0 BEAERN CCOCCCCOC(=O)/C=C/c1cccnc1 ZINC000129558742 591322590 /nfs/dbraw/zinc/32/25/90/591322590.db2.gz COPFJTLQGRASSX-BQYQJAHWSA-N 0 0 249.310 2.455 10 0 BEAERN CSCCCC(=O)OCc1cncs1 ZINC000129755763 591393537 /nfs/dbraw/zinc/39/35/37/591393537.db2.gz FVCGJKUJAYIRMY-UHFFFAOYSA-N 0 0 231.342 2.330 10 0 BEAERN CO[C@H](c1noc([C@H](N)CC(C)C)n1)C1CC1 ZINC000130209951 591448414 /nfs/dbraw/zinc/44/84/14/591448414.db2.gz MPYFMEDVWXKTEC-ZJUUUORDSA-N 0 0 239.319 2.213 10 0 BEAERN C[C@@H](O)c1ccc(N(C)Cc2ccccn2)nc1 ZINC000213230496 591455646 /nfs/dbraw/zinc/45/56/46/591455646.db2.gz QPBXASKWGXWFAQ-LLVKDONJSA-N 0 0 243.310 2.166 10 0 BEAERN C[C@H](O)c1ccc(N(C)Cc2cccnc2)nc1 ZINC000213223274 591455878 /nfs/dbraw/zinc/45/58/78/591455878.db2.gz LMFLVDXRBRXCOR-NSHDSACASA-N 0 0 243.310 2.166 10 0 BEAERN C[C@H](O)c1ccc(N(C)Cc2ccccn2)nc1 ZINC000213232460 591455923 /nfs/dbraw/zinc/45/59/23/591455923.db2.gz QPBXASKWGXWFAQ-NSHDSACASA-N 0 0 243.310 2.166 10 0 BEAERN CSCCCC(=O)OCc1ccoc1 ZINC000131092699 591545341 /nfs/dbraw/zinc/54/53/41/591545341.db2.gz ICZMNWBLIGXXKR-UHFFFAOYSA-N 0 0 214.286 2.466 10 0 BEAERN C[C@H]1CC[C@H](C)N(C(=O)c2cccc(F)n2)C1 ZINC000131304340 591587925 /nfs/dbraw/zinc/58/79/25/591587925.db2.gz XOZNRZZGYXWVFK-UWVGGRQHSA-N 0 0 236.290 2.481 10 0 BEAERN C[C@@H](OC(=O)[C@@H]1CCCCO1)C(F)(F)F ZINC000131745306 591649766 /nfs/dbraw/zinc/64/97/66/591649766.db2.gz PZFZLVZJGZPPSP-RQJHMYQMSA-N 0 0 226.194 2.050 10 0 BEAERN COC[C@@H](OC(=O)c1ccccc1F)C1CC1 ZINC000131915312 591677184 /nfs/dbraw/zinc/67/71/84/591677184.db2.gz OGMFCJOSSDMKRI-GFCCVEGCSA-N 0 0 238.258 2.408 10 0 BEAERN Cc1occc1COC(=O)[C@H]1CCCCO1 ZINC000131965949 591681299 /nfs/dbraw/zinc/68/12/99/591681299.db2.gz CEIXTGQKTOBQQB-LLVKDONJSA-N 0 0 224.256 2.200 10 0 BEAERN COC[C@H](OC(=O)c1ccc(C)o1)C1CC1 ZINC000131997707 591682396 /nfs/dbraw/zinc/68/23/96/591682396.db2.gz ISUUCDBEDIKHGQ-NSHDSACASA-N 0 0 224.256 2.170 10 0 BEAERN COC[C@@H](OC(=O)Cc1cccs1)C1CC1 ZINC000132170025 591691427 /nfs/dbraw/zinc/69/14/27/591691427.db2.gz JUKAXNCYSUJLAV-LLVKDONJSA-N 0 0 240.324 2.259 10 0 BEAERN COC[C@@H](OC(=O)CC1CCC1)C1CC1 ZINC000132191302 591691572 /nfs/dbraw/zinc/69/15/72/591691572.db2.gz CUKPIENXHUTUHJ-LLVKDONJSA-N 0 0 212.289 2.145 10 0 BEAERN COC[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)C1CC1 ZINC000132179097 591691780 /nfs/dbraw/zinc/69/17/80/591691780.db2.gz GXSKQYUJBKSOHI-UTUOFQBUSA-N 0 0 224.300 2.001 10 0 BEAERN CCCCC[C@H](C)NC(=O)c1ncccc1N ZINC000132343293 591702187 /nfs/dbraw/zinc/70/21/87/591702187.db2.gz PMAXOFPTLSEILH-JTQLQIEISA-N 0 0 235.331 2.362 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H]1CCCCO1 ZINC000132628452 591726209 /nfs/dbraw/zinc/72/62/09/591726209.db2.gz DZGLPJLWRIFCLQ-VHSXEESVSA-N 0 0 200.278 2.143 10 0 BEAERN Cc1cncc(C(=O)O[C@H](C)C2CCOCC2)c1 ZINC000132722760 591733878 /nfs/dbraw/zinc/73/38/78/591733878.db2.gz QZMOUPZPUPUQOQ-LLVKDONJSA-N 0 0 249.310 2.362 10 0 BEAERN C[C@@H](CNC(=O)c1ncccc1N)C(C)(C)C ZINC000132855681 591743340 /nfs/dbraw/zinc/74/33/40/591743340.db2.gz HDAUZNBMSFAFJN-VIFPVBQESA-N 0 0 235.331 2.076 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(Cl)n2)O1 ZINC000133290711 591783971 /nfs/dbraw/zinc/78/39/71/591783971.db2.gz WNXKFKLNEWKJDB-JGVFFNPUSA-N 0 0 240.690 2.241 10 0 BEAERN CCCCCCC(=O)Nc1ccc(C(N)=O)nc1 ZINC000133439400 591791557 /nfs/dbraw/zinc/79/15/57/591791557.db2.gz MODHVPGOGBIWEP-UHFFFAOYSA-N 0 0 249.314 2.089 10 0 BEAERN C[C@@H](O)c1ccn(CCCOc2ccccc2)n1 ZINC000133707123 591849506 /nfs/dbraw/zinc/84/95/06/591849506.db2.gz MZYHANDXWUUBJR-GFCCVEGCSA-N 0 0 246.310 2.406 10 0 BEAERN C[C@@H](O)c1ccn(Cc2cccnc2Cl)n1 ZINC000133736363 591851646 /nfs/dbraw/zinc/85/16/46/591851646.db2.gz HKVAUVIIHQKBHY-MRVPVSSYSA-N 0 0 237.690 2.033 10 0 BEAERN Cc1ccc(Cn2ccc([C@H](C)O)n2)cc1 ZINC000133786444 591857489 /nfs/dbraw/zinc/85/74/89/591857489.db2.gz HJZGVEZNTHUEMR-NSHDSACASA-N 0 0 216.284 2.293 10 0 BEAERN CC(C)Cc1nnc(NCc2ccoc2)o1 ZINC000134441969 591927961 /nfs/dbraw/zinc/92/79/61/591927961.db2.gz MEPAPJQWWCYHLO-UHFFFAOYSA-N 0 0 221.260 2.473 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1cc(F)ccc1C ZINC000134673162 591946303 /nfs/dbraw/zinc/94/63/03/591946303.db2.gz MJLWGUYGXJKRJN-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccc(C)c(F)c1 ZINC000134673765 591946603 /nfs/dbraw/zinc/94/66/03/591946603.db2.gz POEOKLNNGRDNLW-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN Cc1c[nH]nc1NC(=O)c1ccc(F)c(C)c1 ZINC000134686377 591947472 /nfs/dbraw/zinc/94/74/72/591947472.db2.gz GCQWSVHRZOVREY-UHFFFAOYSA-N 0 0 233.246 2.418 10 0 BEAERN Cc1ncccc1-c1nnc([C@@H]2CCCOC2)o1 ZINC000886052255 592140917 /nfs/dbraw/zinc/14/09/17/592140917.db2.gz INAPTQSVJFENEH-SNVBAGLBSA-N 0 0 245.282 2.334 10 0 BEAERN CC(C)(C)Cc1noc(C2(C[NH3+])CCCC2)n1 ZINC000137878291 592223128 /nfs/dbraw/zinc/22/31/28/592223128.db2.gz RCEQTWQEUJXHFX-UHFFFAOYSA-N 0 0 237.347 2.429 10 0 BEAERN [NH3+]Cc1ccc([C@@H](O)c2cccs2)s1 ZINC000075468606 592312815 /nfs/dbraw/zinc/31/28/15/592312815.db2.gz JMPVNIPMSRUIQG-JTQLQIEISA-N 0 0 225.338 2.350 10 0 BEAERN [NH3+]Cc1ccc([C@@H](O)c2ccccc2)s1 ZINC000075468527 592312925 /nfs/dbraw/zinc/31/29/25/592312925.db2.gz AZXLOZAAYFBNOG-LBPRGKRZSA-N 0 0 219.309 2.289 10 0 BEAERN CCCOC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000302663850 592550906 /nfs/dbraw/zinc/55/09/06/592550906.db2.gz JUSPZBAPBMEZOB-YPMHNXCESA-N 0 0 241.331 2.160 10 0 BEAERN CCCOC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000302663841 592550924 /nfs/dbraw/zinc/55/09/24/592550924.db2.gz JUSPZBAPBMEZOB-AAEUAGOBSA-N 0 0 241.331 2.160 10 0 BEAERN CC(C)c1cnc(N[C@@H](C)[C@@H](C)O)s1 ZINC000307207874 635130618 /nfs/dbraw/zinc/13/06/18/635130618.db2.gz NJSFHHNURYTQJO-JGVFFNPUSA-N 0 0 214.334 2.448 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000336778337 635288645 /nfs/dbraw/zinc/28/86/45/635288645.db2.gz LBZDITPHTLPWPR-NKWVEPMBSA-N 0 0 234.221 2.282 10 0 BEAERN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000225649791 635413268 /nfs/dbraw/zinc/41/32/68/635413268.db2.gz JRUGCYBXTUZNPB-CIYHXPSUSA-N 0 0 225.332 2.010 10 0 BEAERN CC(C)(C)SCCn1cc(Cl)c(N)n1 ZINC000379497592 631216341 /nfs/dbraw/zinc/21/63/41/631216341.db2.gz HBWIXYWYVBSPMS-UHFFFAOYSA-N 0 0 233.768 2.481 10 0 BEAERN CSCCOC(=O)[C@H]1CCC[C@H]1C ZINC000308313492 631220061 /nfs/dbraw/zinc/22/00/61/631220061.db2.gz UMEKDBSXQASLCC-BDAKNGLRSA-N 0 0 202.319 2.329 10 0 BEAERN O[C@@H](c1cn[nH]c1)c1ccc(Cl)cc1F ZINC000379829815 631244426 /nfs/dbraw/zinc/24/44/26/631244426.db2.gz ZNYINGAPKOJEKO-JTQLQIEISA-N 0 0 226.638 2.284 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc2[nH]cnc2c1 ZINC000075559371 631267652 /nfs/dbraw/zinc/26/76/52/631267652.db2.gz JLCGRLQGBGGRRW-SKDRFNHKSA-N 0 0 243.310 2.481 10 0 BEAERN Nc1nn(C[C@@H]2CCCC2(F)F)cc1Cl ZINC000381620740 631353189 /nfs/dbraw/zinc/35/31/89/631353189.db2.gz RSZHHKDMSVJURR-LURJTMIESA-N 0 0 235.665 2.384 10 0 BEAERN Nc1nn(C[C@H]2CCCC2(F)F)cc1Cl ZINC000381620742 631353260 /nfs/dbraw/zinc/35/32/60/631353260.db2.gz RSZHHKDMSVJURR-ZCFIWIBFSA-N 0 0 235.665 2.384 10 0 BEAERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000082609553 631408584 /nfs/dbraw/zinc/40/85/84/631408584.db2.gz MCGAALUWSQERFI-BDAKNGLRSA-N 0 0 215.293 2.079 10 0 BEAERN O=C(OCc1ccoc1)[C@@H]1C[C@@H]1C1CC1 ZINC000176107009 631522908 /nfs/dbraw/zinc/52/29/08/631522908.db2.gz ZETLGJZISGHUCJ-GHMZBOCLSA-N 0 0 206.241 2.369 10 0 BEAERN CC[C@H]([NH2+]Cc1ccc(C(=O)[O-])cn1)C(C)C ZINC000094760298 631580666 /nfs/dbraw/zinc/58/06/66/631580666.db2.gz MYQAIDAKRDELRB-LBPRGKRZSA-N 0 0 236.315 2.304 10 0 BEAERN CCC[C@H](C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000246397960 635652699 /nfs/dbraw/zinc/65/26/99/635652699.db2.gz ACOKFFDFMWVTHW-AXFHLTTASA-N 0 0 214.305 2.391 10 0 BEAERN CCCCCOC(=O)[C@H](NC(=O)OC)C(C)C ZINC000033945982 631715427 /nfs/dbraw/zinc/71/54/27/631715427.db2.gz SENCUUGAKOOWQD-SNVBAGLBSA-N 0 0 245.319 2.100 10 0 BEAERN CC[C@H](C)c1noc([C@@H](N)CC2CC2)n1 ZINC000308887492 631717630 /nfs/dbraw/zinc/71/76/30/631717630.db2.gz XEQKMBLIOGVWEQ-CBAPKCEASA-N 0 0 209.293 2.383 10 0 BEAERN C[C@@H](Nc1nnc(C(C)(C)C)s1)[C@H](C)O ZINC000309060066 631834373 /nfs/dbraw/zinc/83/43/73/631834373.db2.gz WADTUFAHWRWOOO-RQJHMYQMSA-N 0 0 229.349 2.017 10 0 BEAERN COC[C@H](C)C(=O)OCC1(C)CCCC1 ZINC000158301600 631859688 /nfs/dbraw/zinc/85/96/88/631859688.db2.gz GFDXCSDFTAAIRK-JTQLQIEISA-N 0 0 214.305 2.392 10 0 BEAERN C[C@@H](O)c1cccc(OCc2cncn2C)c1 ZINC000091278657 631877580 /nfs/dbraw/zinc/87/75/80/631877580.db2.gz WNYAVESIPVXYTJ-SNVBAGLBSA-N 0 0 232.283 2.052 10 0 BEAERN COc1ccc(N)c(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250373573 635697812 /nfs/dbraw/zinc/69/78/12/635697812.db2.gz GKTSUJQIWBQCFS-ILWJIGKKSA-N 0 0 246.310 2.262 10 0 BEAERN CCn1ccnc1COc1ccccc1C=O ZINC000052345202 632130169 /nfs/dbraw/zinc/13/01/69/632130169.db2.gz OJPZIYCESYYKPZ-UHFFFAOYSA-N 0 0 230.267 2.295 10 0 BEAERN CC(C)c1cnc(N[C@H](C)[C@@H](C)O)s1 ZINC000307207873 632397845 /nfs/dbraw/zinc/39/78/45/632397845.db2.gz NJSFHHNURYTQJO-HTQZYQBOSA-N 0 0 214.334 2.448 10 0 BEAERN COCC[C@@H](N)c1nc(-c2cccc(C)c2)no1 ZINC000052785387 632487216 /nfs/dbraw/zinc/48/72/16/632487216.db2.gz PWULURKCAUNQHF-LLVKDONJSA-N 0 0 247.298 2.081 10 0 BEAERN CSc1cnc(NCC[C@@H]2CCCO2)nc1 ZINC000309716640 632656292 /nfs/dbraw/zinc/65/62/92/632656292.db2.gz UBCHGUHYEANYFX-VIFPVBQESA-N 0 0 239.344 2.180 10 0 BEAERN COC(=O)/C(C)=C\CN[C@H](C)c1ccc(C)o1 ZINC000310063884 632698149 /nfs/dbraw/zinc/69/81/49/632698149.db2.gz UTZXCAUCUOUHNO-GXMKHXEJSA-N 0 0 237.299 2.358 10 0 BEAERN CC[C@H](Br)COC(=O)C(C)C ZINC000149940134 632738238 /nfs/dbraw/zinc/73/82/38/632738238.db2.gz VFXJEXQKPIZMQK-ZETCQYMHSA-N 0 0 223.110 2.359 10 0 BEAERN Cc1cccc(NC(=O)C[C@H](O)C(C)C)c1O ZINC000179773562 632761076 /nfs/dbraw/zinc/76/10/76/632761076.db2.gz NUPQALLKPYYITO-NSHDSACASA-N 0 0 237.299 2.046 10 0 BEAERN COC[C@@H](C)C(=O)O[C@@H](C)C1CCC1 ZINC000177287978 632803498 /nfs/dbraw/zinc/80/34/98/632803498.db2.gz NTEUOWZCDDFXML-BDAKNGLRSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H]1CCC[C@@H](NC(=O)n2ccnc2)CC1 ZINC000235696273 632816054 /nfs/dbraw/zinc/81/60/54/632816054.db2.gz VHZCDVXFCXVXDD-WDEREUQCSA-N 0 0 221.304 2.410 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)c1cc(N)ccc1Cl ZINC000052268195 632821629 /nfs/dbraw/zinc/82/16/29/632821629.db2.gz GMJGUKBCMMSRIW-LHLIQPBNSA-N 0 0 224.691 2.060 10 0 BEAERN Cc1ccc(CNCC(F)(F)C(F)F)cn1 ZINC000235771865 632827587 /nfs/dbraw/zinc/82/75/87/632827587.db2.gz NMCBPMCNLABSCO-UHFFFAOYSA-N 0 0 236.212 2.380 10 0 BEAERN Cc1ncn(-c2c(F)cccc2C=O)c1C ZINC000235945777 632854709 /nfs/dbraw/zinc/85/47/09/632854709.db2.gz UVARFLBPGTWZQA-UHFFFAOYSA-N 0 0 218.231 2.441 10 0 BEAERN Cc1c(N)cnn1CCSC(F)(F)F ZINC000704874627 633092759 /nfs/dbraw/zinc/09/27/59/633092759.db2.gz PEDYDUSXAOEDDM-UHFFFAOYSA-N 0 0 225.239 2.027 10 0 BEAERN O[C@H](C[C@H]1CCCC1(F)F)c1cn[nH]c1 ZINC000394296123 633158001 /nfs/dbraw/zinc/15/80/01/633158001.db2.gz PNAOAWTUUKGZFZ-RKDXNWHRSA-N 0 0 216.231 2.269 10 0 BEAERN COC1CC(Nc2ccnc(C(C)C)n2)C1 ZINC000309490474 633177098 /nfs/dbraw/zinc/17/70/98/633177098.db2.gz WXZBZYWZMVDCKB-UHFFFAOYSA-N 0 0 221.304 2.189 10 0 BEAERN O=C(N[C@@H]1CC2CCC1CC2)n1ccnc1 ZINC000306431244 635966776 /nfs/dbraw/zinc/96/67/76/635966776.db2.gz RBDUDSQXEUHZGO-VQXHTEKXSA-N 0 0 219.288 2.020 10 0 BEAERN O=C(OCC(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000123117899 633730946 /nfs/dbraw/zinc/73/09/46/633730946.db2.gz ORBDRWQODJHONS-VKHMYHEASA-N 0 0 237.004 2.286 10 0 BEAERN CCC[C@H](C)OC(=O)[C@H](NC(=O)OC)C(C)C ZINC000177789029 633833312 /nfs/dbraw/zinc/83/33/12/633833312.db2.gz XKLOIYNHYJCHPL-VHSXEESVSA-N 0 0 245.319 2.099 10 0 BEAERN CC[C@H](C(=O)C(F)F)C(=O)C(C)(C)C ZINC000395309194 633841778 /nfs/dbraw/zinc/84/17/78/633841778.db2.gz ZCBMNCLHPHUZDH-ZCFIWIBFSA-N 0 0 206.232 2.462 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000309901634 633916938 /nfs/dbraw/zinc/91/69/38/633916938.db2.gz HYCZELZCWBTJGU-BQBZGAKWSA-N 0 0 234.221 2.282 10 0 BEAERN CCNc1nc(C)c(C(=O)N[C@H]2C[C@H]2C)s1 ZINC000309615708 633973403 /nfs/dbraw/zinc/97/34/03/633973403.db2.gz CTHWVAKEDBQOKA-SVRRBLITSA-N 0 0 239.344 2.022 10 0 BEAERN C[C@H]1C[C@H](c2cccc(C(=O)[O-])c2)CC[NH2+]1 ZINC000146977398 634046447 /nfs/dbraw/zinc/04/64/47/634046447.db2.gz XJLRJEYJJDQBBA-GXSJLCMTSA-N 0 0 219.284 2.240 10 0 BEAERN CC1(COC(=O)[C@@H]2C[C@@H]2C2CC2)CCOCC1 ZINC000185555310 634049567 /nfs/dbraw/zinc/04/95/67/634049567.db2.gz AZBNMXAMFOIMGD-VXGBXAGGSA-N 0 0 238.327 2.392 10 0 BEAERN CSC(C)(C)CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000188553276 634149245 /nfs/dbraw/zinc/14/92/45/634149245.db2.gz CNLRUIZQCRJCNZ-ZJUUUORDSA-N 0 0 245.388 2.059 10 0 BEAERN CCOC[C@H](C)OC(=O)c1oc(C)cc1C ZINC000190764626 634193741 /nfs/dbraw/zinc/19/37/41/634193741.db2.gz LUVYSEOXFXIKKA-JTQLQIEISA-N 0 0 226.272 2.478 10 0 BEAERN CCOC[C@H](C)OC(=O)CCCOC(C)C ZINC000190750235 634194583 /nfs/dbraw/zinc/19/45/83/634194583.db2.gz SJUISDNCZPROMG-NSHDSACASA-N 0 0 232.320 2.160 10 0 BEAERN CC[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000150727117 634195868 /nfs/dbraw/zinc/19/58/68/634195868.db2.gz VJONTYGTOGMLEA-NXEZZACHSA-N 0 0 245.319 2.099 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)OCC(C)(C)C ZINC000192226164 634226471 /nfs/dbraw/zinc/22/64/71/634226471.db2.gz DIXKDELRGFURPC-NXEZZACHSA-N 0 0 214.305 2.391 10 0 BEAERN CCC[C@H]([NH2+]CCSC(F)(F)F)C(=O)[O-] ZINC000123580665 634247927 /nfs/dbraw/zinc/24/79/27/634247927.db2.gz OFSDYQZAZWSYGM-LURJTMIESA-N 0 0 245.266 2.082 10 0 BEAERN COCc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000195256722 634356012 /nfs/dbraw/zinc/35/60/12/634356012.db2.gz UVLZGQVLFZMFPA-GXFFZTMASA-N 0 0 249.310 2.339 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)[C@H](C#N)c1ccccn1 ZINC000249085729 635117066 /nfs/dbraw/zinc/11/70/66/635117066.db2.gz RIPGEHFUIMPSQE-QJPTWQEYSA-N 0 0 244.294 2.073 10 0 BEAERN CCCCCCC(=O)N1CC[C@@H](CCO)C1 ZINC000162949172 635220944 /nfs/dbraw/zinc/22/09/44/635220944.db2.gz JGUXPEJPPLZJKU-LBPRGKRZSA-N 0 0 227.348 2.188 10 0 BEAERN Cc1csc2c1ncnc2N[C@H](C)[C@@H](C)O ZINC000336776726 635287159 /nfs/dbraw/zinc/28/71/59/635287159.db2.gz GLPPZHSYVXRBDS-HTQZYQBOSA-N 0 0 237.328 2.181 10 0 BEAERN CC(C)COc1ncc(Cl)cc1N ZINC000148308057 636301037 /nfs/dbraw/zinc/30/10/37/636301037.db2.gz BIWVXMSCCMONDD-UHFFFAOYSA-N 0 0 200.669 2.352 10 0 BEAERN Cc1ccc(-c2ccc(F)nc2)c(CO)n1 ZINC000669372616 636549870 /nfs/dbraw/zinc/54/98/70/636549870.db2.gz UNFUGELLUPZJIK-UHFFFAOYSA-N 0 0 218.231 2.083 10 0 BEAERN O=C(OC[C@H]1CC=CCC1)c1cnsn1 ZINC000127683324 636768306 /nfs/dbraw/zinc/76/83/06/636768306.db2.gz JFCKRAREEFSFMZ-QMMMGPOBSA-N 0 0 224.285 2.051 10 0 BEAERN CC(C)[C@H](C)Nc1ccnc(C(=O)N(C)C)c1 ZINC000035121994 636802398 /nfs/dbraw/zinc/80/23/98/636802398.db2.gz LDNLJWDFTWIYJC-JTQLQIEISA-N 0 0 235.331 2.240 10 0 BEAERN CC(C)C[C@H](CO)NC(=O)CSC(C)(C)C ZINC000040793714 636942291 /nfs/dbraw/zinc/94/22/91/636942291.db2.gz IHIMNDYQSWKYFE-SNVBAGLBSA-N 0 0 247.404 2.041 10 0 BEAERN CCCCN(CCO)C(=O)CSC(C)(C)C ZINC000042239558 637093583 /nfs/dbraw/zinc/09/35/83/637093583.db2.gz FFIWGQIAMKZJLC-UHFFFAOYSA-N 0 0 247.404 2.139 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@H](C)[C@@H](C)O)cc2c1 ZINC000346417103 637111871 /nfs/dbraw/zinc/11/18/71/637111871.db2.gz SZOGRGROJMXRNT-NXEZZACHSA-N 0 0 247.294 2.240 10 0 BEAERN Cc1csc(C(=O)N[C@@H](C)[C@@H](C)O)c1Cl ZINC000346420965 637113890 /nfs/dbraw/zinc/11/38/90/637113890.db2.gz APEIBNJZUIMNCG-NKWVEPMBSA-N 0 0 247.747 2.209 10 0 BEAERN Cc1csc(C(=O)N[C@H](C)[C@@H](C)O)c1Cl ZINC000346420966 637114223 /nfs/dbraw/zinc/11/42/23/637114223.db2.gz APEIBNJZUIMNCG-RNFRBKRXSA-N 0 0 247.747 2.209 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)CC1CCCCCC1 ZINC000346422940 637119393 /nfs/dbraw/zinc/11/93/93/637119393.db2.gz PQHKCWLGYFNBJZ-QWRGUYRKSA-N 0 0 227.348 2.232 10 0 BEAERN C[C@@H](NC(=O)c1ccc2sccc2c1)[C@H](C)O ZINC000346431104 637127509 /nfs/dbraw/zinc/12/75/09/637127509.db2.gz ZRAYSXCZRRUFLF-BDAKNGLRSA-N 0 0 249.335 2.400 10 0 BEAERN C[C@@H](NC(=O)c1cccc2ccccc21)[C@H](C)O ZINC000346508044 637159034 /nfs/dbraw/zinc/15/90/34/637159034.db2.gz NSTZNIKJBJOPPG-MNOVXSKESA-N 0 0 243.306 2.339 10 0 BEAERN C[C@@H](NC(=O)c1ccccc1C(C)(C)C)[C@H](C)O ZINC000346540359 637167204 /nfs/dbraw/zinc/16/72/04/637167204.db2.gz YMESTGCYXJUPDO-MNOVXSKESA-N 0 0 249.354 2.483 10 0 BEAERN CCc1nccn1-c1ccc(F)cc1C=O ZINC000042419942 637240056 /nfs/dbraw/zinc/24/00/56/637240056.db2.gz AMFOWARDKOHLBJ-UHFFFAOYSA-N 0 0 218.231 2.386 10 0 BEAERN CCC1CCC(NC(=O)c2cnsn2)CC1 ZINC000129352976 639651482 /nfs/dbraw/zinc/65/14/82/639651482.db2.gz ASLYFSVTUWSINQ-UHFFFAOYSA-N 0 0 239.344 2.237 10 0 BEAERN c1nc(CN[C@H]2CCOc3ccccc32)c[nH]1 ZINC000054764733 640405916 /nfs/dbraw/zinc/40/59/16/640405916.db2.gz JPLAFDGPCAAUMI-LBPRGKRZSA-N 0 0 229.283 2.023 10 0 BEAERN COc1cc(C)ccc1NCc1cncnc1 ZINC000054767985 640410047 /nfs/dbraw/zinc/41/00/47/640410047.db2.gz XCOUVEHMZWBPNC-UHFFFAOYSA-N 0 0 229.283 2.406 10 0 BEAERN CCC(=O)c1ccc(-n2cc(C)cn2)cn1 ZINC000164250890 640457111 /nfs/dbraw/zinc/45/71/11/640457111.db2.gz BAQRFQYLLRQTRD-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN CC/C=C(\C)C(=O)NCc1cscn1 ZINC000056695722 640561703 /nfs/dbraw/zinc/56/17/03/640561703.db2.gz JGDKDGKXKLSJDC-XBXARRHUSA-N 0 0 210.302 2.116 10 0 BEAERN O=Cc1cnc(NC2CCCCC2)nc1 ZINC000057328446 640599753 /nfs/dbraw/zinc/59/97/53/640599753.db2.gz QEBVMLZTTWZSJZ-UHFFFAOYSA-N 0 0 205.261 2.034 10 0 BEAERN CCOc1ccc([C@@H]2CCC(=O)N2)cc1 ZINC000057938169 640650398 /nfs/dbraw/zinc/65/03/98/640650398.db2.gz WOFSTOHWRKHZEY-NSHDSACASA-N 0 0 205.257 2.036 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000226379548 640757546 /nfs/dbraw/zinc/75/75/46/640757546.db2.gz MWVOXMRZWSUZLD-PELKAZGASA-N 0 0 236.290 2.326 10 0 BEAERN Cc1cnc([C@H](C)NC(=S)NCC(C)C)o1 ZINC000226536326 640773596 /nfs/dbraw/zinc/77/35/96/640773596.db2.gz BFKMVYULTLIDPP-VIFPVBQESA-N 0 0 241.360 2.164 10 0 BEAERN CCc1c(N)n(C)nc1[C@@H]1CCC[C@@H]1C ZINC000226596695 640775330 /nfs/dbraw/zinc/77/53/30/640775330.db2.gz UPLUBDGRMMIREZ-WCBMZHEXSA-N 0 0 207.321 2.468 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2ccnc(F)c2)o1 ZINC000226616510 640780477 /nfs/dbraw/zinc/78/04/77/640780477.db2.gz PSDGYPOXOOUQNQ-QMMMGPOBSA-N 0 0 249.245 2.008 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(N)c(C)c1 ZINC000227211672 640821351 /nfs/dbraw/zinc/82/13/51/640821351.db2.gz RZLLBUQRMSPKHU-GWCFXTLKSA-N 0 0 232.327 2.496 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(N)c(C)c1 ZINC000227211661 640821426 /nfs/dbraw/zinc/82/14/26/640821426.db2.gz RZLLBUQRMSPKHU-MFKMUULPSA-N 0 0 232.327 2.496 10 0 BEAERN CC(C)c1ccc(CN2CCOC[C@H]2CO)cc1 ZINC000168902950 640832865 /nfs/dbraw/zinc/83/28/65/640832865.db2.gz VYZSEDVBXVALMH-OAHLLOKOSA-N 0 0 249.354 2.003 10 0 BEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)OC1CCCCCC1 ZINC000171174882 640960626 /nfs/dbraw/zinc/96/06/26/640960626.db2.gz QUGZJDJDXXWGHI-MNOVXSKESA-N 0 0 240.299 2.062 10 0 BEAERN COC(=O)[C@H]1C[C@@H]1C(=O)OC1CCCCCC1 ZINC000171174886 640960657 /nfs/dbraw/zinc/96/06/57/640960657.db2.gz QUGZJDJDXXWGHI-QWRGUYRKSA-N 0 0 240.299 2.062 10 0 BEAERN COC(=O)[C@H]1C[C@H]1C(=O)Oc1ccc(C)c(C)c1 ZINC000171175252 640961203 /nfs/dbraw/zinc/96/12/03/640961203.db2.gz MUIWCSOVPFHYJY-NWDGAFQWSA-N 0 0 248.278 2.018 10 0 BEAERN O=Cc1cccnc1N1CCC12CCC2 ZINC000675064415 640961341 /nfs/dbraw/zinc/96/13/41/640961341.db2.gz IMMCHFIPLAFDAZ-UHFFFAOYSA-N 0 0 202.257 2.027 10 0 BEAERN COC(=O)[C@H]1C[C@H]1C(=O)Oc1cccc(C)c1C ZINC000171180380 640962622 /nfs/dbraw/zinc/96/26/22/640962622.db2.gz XPCXXFARWRSDDE-WDEREUQCSA-N 0 0 248.278 2.018 10 0 BEAERN COC(=O)[C@H]1C[C@H]1C(=O)Oc1ccc(C)cc1C ZINC000171184158 640963964 /nfs/dbraw/zinc/96/39/64/640963964.db2.gz NGDGFWDCUWUFNW-WDEREUQCSA-N 0 0 248.278 2.018 10 0 BEAERN C[C@H](c1ccccc1Cl)N(C)[C@@H](C)C(N)=O ZINC000062017018 641015470 /nfs/dbraw/zinc/01/54/70/641015470.db2.gz RPZZWJVCZBTIPE-BDAKNGLRSA-N 0 0 240.734 2.207 10 0 BEAERN CC(C)C[C@@H](N)c1nc([C@@H]2CCCOC2)no1 ZINC000087813547 641052005 /nfs/dbraw/zinc/05/20/05/641052005.db2.gz UPINYCRPTABHKI-NXEZZACHSA-N 0 0 239.319 2.010 10 0 BEAERN CCCC(=O)N1CC[C@@H](O)c2ccccc21 ZINC000062552452 641057829 /nfs/dbraw/zinc/05/78/29/641057829.db2.gz MSUNIJOGSNBTDS-GFCCVEGCSA-N 0 0 219.284 2.257 10 0 BEAERN CCc1c(-c2ccccc2)nc2n1CCNC2 ZINC000062605488 641062803 /nfs/dbraw/zinc/06/28/03/641062803.db2.gz NZQYFXRGTSMWDM-UHFFFAOYSA-N 0 0 227.311 2.216 10 0 BEAERN COC1CC(Nc2ccc(C(F)(F)F)nn2)C1 ZINC000230599378 641071726 /nfs/dbraw/zinc/07/17/26/641071726.db2.gz BOLGANBLVQJOGO-UHFFFAOYSA-N 0 0 247.220 2.085 10 0 BEAERN COC1CC(Nc2ncnc3c2CCCCC3)C1 ZINC000230600528 641072123 /nfs/dbraw/zinc/07/21/23/641072123.db2.gz HJJGHRSVRYQOIM-UHFFFAOYSA-N 0 0 247.342 2.335 10 0 BEAERN Cc1ccc([C@@H](O)c2cn[nH]c2)cc1C ZINC000062778361 641089902 /nfs/dbraw/zinc/08/99/02/641089902.db2.gz IOWHNUXNCPDBFT-GFCCVEGCSA-N 0 0 202.257 2.108 10 0 BEAERN OC[C@@H]1CCCC[C@@H]1Nc1nccs1 ZINC000231327437 641163650 /nfs/dbraw/zinc/16/36/50/641163650.db2.gz GQXHAGNNECNROR-IUCAKERBSA-N 0 0 212.318 2.106 10 0 BEAERN CCCNC(=S)N[C@H]1C[C@@H]1CCC ZINC000231648045 641191011 /nfs/dbraw/zinc/19/10/11/641191011.db2.gz LGYLMNPCEJXIJW-IUCAKERBSA-N 0 0 200.351 2.049 10 0 BEAERN CCC[C@H]1C[C@@H]1NC(=O)N1CCCCC1 ZINC000231694459 641194989 /nfs/dbraw/zinc/19/49/89/641194989.db2.gz SEZFKZVMGCHAEF-QWRGUYRKSA-N 0 0 210.321 2.371 10 0 BEAERN CC(C)C1CCN(C(=O)n2ccnc2)CC1 ZINC000231693715 641195480 /nfs/dbraw/zinc/19/54/80/641195480.db2.gz CDHIXZSNSNSLTC-UHFFFAOYSA-N 0 0 221.304 2.219 10 0 BEAERN CN[C@H](C)c1nc([C@@H]2CCc3ccccc32)no1 ZINC000087997509 641211038 /nfs/dbraw/zinc/21/10/38/641211038.db2.gz UCZLMDIAPJOTLF-BXKDBHETSA-N 0 0 243.310 2.428 10 0 BEAERN Cc1cnc([C@@H](C)NC[C@@H]2CCC=CO2)o1 ZINC000231999460 641225816 /nfs/dbraw/zinc/22/58/16/641225816.db2.gz COWFGHHACFDZHN-MNOVXSKESA-N 0 0 222.288 2.326 10 0 BEAERN Cc1cnc([C@H](C)NC[C@H]2CCC=CO2)o1 ZINC000231999469 641226396 /nfs/dbraw/zinc/22/63/96/641226396.db2.gz COWFGHHACFDZHN-WDEREUQCSA-N 0 0 222.288 2.326 10 0 BEAERN COCCOC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000174019426 641226954 /nfs/dbraw/zinc/22/69/54/641226954.db2.gz DRMLLGYMZYBFHO-VXGBXAGGSA-N 0 0 226.316 2.392 10 0 BEAERN COc1ccsc1-c1nn(C)c(N)c1C ZINC000088028631 641253157 /nfs/dbraw/zinc/25/31/57/641253157.db2.gz FYKXUSVUHCRFOR-UHFFFAOYSA-N 0 0 223.301 2.048 10 0 BEAERN Cc1oc(C[NH2+][C@@H](C)C(C)C)cc1C(=O)[O-] ZINC000232423120 641276670 /nfs/dbraw/zinc/27/66/70/641276670.db2.gz XOOBIUJZPUYQEO-QMMMGPOBSA-N 0 0 225.288 2.420 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc(NC=O)cc1 ZINC000174513288 641299825 /nfs/dbraw/zinc/29/98/25/641299825.db2.gz DSKSPXBEYJZQPB-JTQLQIEISA-N 0 0 234.299 2.029 10 0 BEAERN C[C@H](OC(=O)C1=COCCC1)C1CCOCC1 ZINC000151543314 641369703 /nfs/dbraw/zinc/36/97/03/641369703.db2.gz SSXPTPLCURWGIQ-JTQLQIEISA-N 0 0 240.299 2.039 10 0 BEAERN COC[C@H](C)C(=O)OCc1nc(C)c(C)s1 ZINC000174691675 641387423 /nfs/dbraw/zinc/38/74/23/641387423.db2.gz ABTBHAFNVOQNHF-ZETCQYMHSA-N 0 0 243.328 2.086 10 0 BEAERN CCCCC[C@H](C)NC(=O)n1ccnc1 ZINC000042572713 641553719 /nfs/dbraw/zinc/55/37/19/641553719.db2.gz HGXDGWLDMZEAEU-JTQLQIEISA-N 0 0 209.293 2.410 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)OCCCC(F)(F)F)O1 ZINC000157629973 641621058 /nfs/dbraw/zinc/62/10/58/641621058.db2.gz KUUYPJFNTLJGLT-HTQZYQBOSA-N 0 0 240.221 2.440 10 0 BEAERN COC[C@H](C)C(=O)O[C@H]1C[C@@](C)(OC)C1(C)C ZINC000159654268 641691061 /nfs/dbraw/zinc/69/10/61/641691061.db2.gz QLFQWPPZQNNBMJ-OUJBWJOFSA-N 0 0 244.331 2.016 10 0 BEAERN CONC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000048962537 641704762 /nfs/dbraw/zinc/70/47/62/641704762.db2.gz BIVXWVROFZUTRM-NSHDSACASA-N 0 0 249.310 2.183 10 0 BEAERN CCc1c(N)n(C)nc1[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250125430 641753819 /nfs/dbraw/zinc/75/38/19/641753819.db2.gz BDMMVAPWDZJLJU-MYJAWHEDSA-N 0 0 205.305 2.078 10 0 BEAERN COc1ccc(Br)c(F)c1N ZINC000075915354 641782067 /nfs/dbraw/zinc/78/20/67/641782067.db2.gz DYYFJEFOAVDMJB-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Oc2c(F)cccc2F)O1 ZINC000153415652 641782754 /nfs/dbraw/zinc/78/27/54/641782754.db2.gz KHIYPJUGIUJXPS-GMSGAONNSA-N 0 0 242.221 2.438 10 0 BEAERN CCOC1CC(CC(=O)N[C@H](C)C(C)C)C1 ZINC000189635320 641815999 /nfs/dbraw/zinc/81/59/99/641815999.db2.gz LIIVFLGZDFHGID-VOMCLLRMSA-N 0 0 227.348 2.352 10 0 BEAERN CCOC[C@H](C)OC(=O)c1cccc(Cl)n1 ZINC000190130205 641844344 /nfs/dbraw/zinc/84/43/44/641844344.db2.gz OAVAQWSTCNMNOG-QMMMGPOBSA-N 0 0 243.690 2.317 10 0 BEAERN CCC(CC)(CNC(=O)n1ccnc1)SC ZINC000232847485 641870362 /nfs/dbraw/zinc/87/03/62/641870362.db2.gz OTLFPIHUDARKAW-UHFFFAOYSA-N 0 0 241.360 2.363 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000190770999 641885155 /nfs/dbraw/zinc/88/51/55/641885155.db2.gz FEYHNIGJGRNAAO-JMJZKYOTSA-N 0 0 212.289 2.001 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H]1CCO[C@@H](CC)C1 ZINC000190769791 641885705 /nfs/dbraw/zinc/88/57/05/641885705.db2.gz NRVWPWNKLRCFNW-SRVKXCTJSA-N 0 0 244.331 2.160 10 0 BEAERN CCOC[C@H](C)OC(=O)c1cnn(C(C)C)c1 ZINC000190762642 641885785 /nfs/dbraw/zinc/88/57/85/641885785.db2.gz CMONNHROLUCJDP-JTQLQIEISA-N 0 0 240.303 2.046 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccc(C#N)cc1C ZINC000190757384 641885860 /nfs/dbraw/zinc/88/58/60/641885860.db2.gz RNDBIVNUZOCTIO-NSHDSACASA-N 0 0 247.294 2.449 10 0 BEAERN CCOC[C@H](C)OC(=O)c1ccc(OC)cc1 ZINC000190768810 641886127 /nfs/dbraw/zinc/88/61/27/641886127.db2.gz RFXZLUVQMPKMMC-JTQLQIEISA-N 0 0 238.283 2.277 10 0 BEAERN C=C[C@](C)(CCOC)COC(=O)[C@H](C)COC ZINC000191170694 641904004 /nfs/dbraw/zinc/90/40/04/641904004.db2.gz CUGIHJSCMJVHNO-DGCLKSJQSA-N 0 0 244.331 2.041 10 0 BEAERN C=CCCCOC(=O)[C@H]1CCCO[C@@H]1C ZINC000192107790 641963239 /nfs/dbraw/zinc/96/32/39/641963239.db2.gz HYEMBFWXUIHFJS-MNOVXSKESA-N 0 0 212.289 2.311 10 0 BEAERN COC(C)(C)CCOC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192108338 641963312 /nfs/dbraw/zinc/96/33/12/641963312.db2.gz WJJYGTYMRRLMRJ-GHMZBOCLSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)OCCCOC(=O)[C@H]1CCCO[C@H]1C ZINC000192109026 641963384 /nfs/dbraw/zinc/96/33/84/641963384.db2.gz ZKDQTPDPFVPUNG-RYUDHWBXSA-N 0 0 244.331 2.160 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCCOC(C)(C)C ZINC000192108230 641963985 /nfs/dbraw/zinc/96/39/85/641963985.db2.gz DVSORZKSUJBABN-WDEREUQCSA-N 0 0 244.331 2.160 10 0 BEAERN OCCCSCCSC(F)(F)F ZINC000123607957 641966408 /nfs/dbraw/zinc/96/64/08/641966408.db2.gz WBKRVRQPSXAAPH-UHFFFAOYSA-N 0 0 220.281 2.355 10 0 BEAERN CCC(CC)CNC(=O)[C@H]1CCO[C@H]1CC ZINC000232875951 642063854 /nfs/dbraw/zinc/06/38/54/642063854.db2.gz NKUBXHHEOZBPNN-RYUDHWBXSA-N 0 0 227.348 2.354 10 0 BEAERN CCC1(COC(=O)[C@H]2C[C@H]2C2CC2)COC1 ZINC000154681615 642181871 /nfs/dbraw/zinc/18/18/71/642181871.db2.gz IRNIGHBTTKMXTK-QWRGUYRKSA-N 0 0 224.300 2.002 10 0 BEAERN CCC(C)(C)COC(=O)[C@@H](C)COC ZINC000174870925 642267419 /nfs/dbraw/zinc/26/74/19/642267419.db2.gz HCWOAIARNCUBBS-VIFPVBQESA-N 0 0 202.294 2.248 10 0 BEAERN Cc1noc([C@H](C)OC(=O)C[C@H]2C=CCC2)n1 ZINC000126416928 642360108 /nfs/dbraw/zinc/36/01/08/642360108.db2.gz MADSVNBWSSDAPL-WPRPVWTQSA-N 0 0 236.271 2.339 10 0 BEAERN COC(=O)[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000050974117 642441687 /nfs/dbraw/zinc/44/16/87/642441687.db2.gz FAIAACPPOVDJOG-JTQLQIEISA-N 0 0 248.200 2.086 10 0 BEAERN CCCCSCC(=O)N[C@@H]1C[C@@H]1C ZINC000308210756 642504418 /nfs/dbraw/zinc/50/44/18/642504418.db2.gz GJEMMANVNHUFNW-DTWKUNHWSA-N 0 0 201.335 2.044 10 0 BEAERN CSCCCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175228312 642663005 /nfs/dbraw/zinc/66/30/05/642663005.db2.gz PUEAZGKMEJCHBC-VHSXEESVSA-N 0 0 232.345 2.098 10 0 BEAERN CC/C=C(\C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175234174 642665114 /nfs/dbraw/zinc/66/51/14/642665114.db2.gz AUEAKMIGPVGWPQ-DTGHLQKHSA-N 0 0 212.289 2.311 10 0 BEAERN C[C@H](OC(=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000175277396 642666773 /nfs/dbraw/zinc/66/67/73/642666773.db2.gz UHVXWNDPNGDYKV-GXSJLCMTSA-N 0 0 238.258 2.408 10 0 BEAERN C[C@H](OC(=O)CC1CCC1)[C@H]1CCOC1 ZINC000175274000 642668164 /nfs/dbraw/zinc/66/81/64/642668164.db2.gz FXPCBAWITFOPKG-ONGXEEELSA-N 0 0 212.289 2.145 10 0 BEAERN C[C@@H](OC(=O)C(C)(C)C)[C@H]1CCOC1 ZINC000175267341 642668553 /nfs/dbraw/zinc/66/85/53/642668553.db2.gz FKFCTTKBEDTRAD-BDAKNGLRSA-N 0 0 200.278 2.001 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1ccnc(C(=O)NC)c1 ZINC000233435617 642670657 /nfs/dbraw/zinc/67/06/57/642670657.db2.gz HEEIDGUNOBBIRQ-GXSJLCMTSA-N 0 0 233.315 2.042 10 0 BEAERN Cc1cc(C(=O)O[C@H](C)[C@@H]2CCOC2)c(C)o1 ZINC000175287234 642670953 /nfs/dbraw/zinc/67/09/53/642670953.db2.gz CFPDQGAAHAJWEM-MWLCHTKSSA-N 0 0 238.283 2.478 10 0 BEAERN CCN[C@@H](C)c1nc([C@@H]2CC2(C)C)no1 ZINC000233553306 642681110 /nfs/dbraw/zinc/68/11/10/642681110.db2.gz BZOHIEKMUFILBX-YUMQZZPRSA-N 0 0 209.293 2.254 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1 ZINC000233949456 642712407 /nfs/dbraw/zinc/71/24/07/642712407.db2.gz MYKRVFYVUNERMY-RYUDHWBXSA-N 0 0 219.284 2.440 10 0 BEAERN CO[C@H](C(=O)OCC(C)(C)C#N)c1ccccc1 ZINC000180109660 642769844 /nfs/dbraw/zinc/76/98/44/642769844.db2.gz JXNFYFBCNFTWTI-LBPRGKRZSA-N 0 0 247.294 2.467 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cccc(C)c1F ZINC000181948684 642931557 /nfs/dbraw/zinc/93/15/57/642931557.db2.gz OLRKLWHTDZILSD-SECBINFHSA-N 0 0 226.247 2.322 10 0 BEAERN COCCC[C@H](C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000182153653 642962056 /nfs/dbraw/zinc/96/20/56/642962056.db2.gz DYQOMMPIGBQCLL-QJPTWQEYSA-N 0 0 244.331 2.017 10 0 BEAERN c1ccc2c(c1)OC[C@H]2Nc1cccnn1 ZINC000070069061 642966541 /nfs/dbraw/zinc/96/65/41/642966541.db2.gz ALBZJVLMZJHJHL-SNVBAGLBSA-N 0 0 213.240 2.022 10 0 BEAERN O[C@H](CSc1cnccn1)c1ccccc1 ZINC000070159881 642979718 /nfs/dbraw/zinc/97/97/18/642979718.db2.gz SUQLTKGKZXKUOW-LLVKDONJSA-N 0 0 232.308 2.302 10 0 BEAERN Cc1ccc2c(c1)oc1c2cc(=O)n(N)c1C ZINC000072240667 643228308 /nfs/dbraw/zinc/22/83/08/643228308.db2.gz XOEJGXLARLQMJO-UHFFFAOYSA-N 0 0 228.251 2.078 10 0 BEAERN C[C@@H]1C[C@H](O)CCN1C/C(Cl)=C/Cl ZINC000306764193 643240600 /nfs/dbraw/zinc/24/06/00/643240600.db2.gz VEQPCAUYSMVXKA-HMDQVIMHSA-N 0 0 224.131 2.151 10 0 BEAERN C[C@@H]1CN(C(=O)CSC(C)(C)C)C[C@@H](C)O1 ZINC000072524585 643261449 /nfs/dbraw/zinc/26/14/49/643261449.db2.gz RRAWNEGQRFDPPE-NXEZZACHSA-N 0 0 245.388 2.154 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@H]1CC[C@@H](C)O1 ZINC000185359704 643299589 /nfs/dbraw/zinc/29/95/89/643299589.db2.gz CKCMWXRRRLLYLD-GHMZBOCLSA-N 0 0 224.300 2.147 10 0 BEAERN Cc1cn2c(Br)cnc2s1 ZINC000082369404 643306249 /nfs/dbraw/zinc/30/62/49/643306249.db2.gz KSXLTOGYKHLJBA-UHFFFAOYSA-N 0 0 217.091 2.467 10 0 BEAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc2sccc2c1 ZINC000757191376 643362063 /nfs/dbraw/zinc/36/20/63/643362063.db2.gz KIKOECHGLFEWCE-QWRGUYRKSA-N 0 0 247.319 2.289 10 0 BEAERN Cc1nn([C@@H](C)C(F)(F)F)cc1C=O ZINC000757196740 643368354 /nfs/dbraw/zinc/36/83/54/643368354.db2.gz XBESPCQKGRQFOT-LURJTMIESA-N 0 0 206.167 2.127 10 0 BEAERN O=C(NC1CCC(F)(F)CC1)n1ccnc1 ZINC000307007123 643393049 /nfs/dbraw/zinc/39/30/49/643393049.db2.gz FYEBYTMFFBUEFA-UHFFFAOYSA-N 0 0 229.230 2.019 10 0 BEAERN CC(C)c1cnc(N[C@H](C)[C@H](C)O)s1 ZINC000307207875 643421649 /nfs/dbraw/zinc/42/16/49/643421649.db2.gz NJSFHHNURYTQJO-SFYZADRCSA-N 0 0 214.334 2.448 10 0 BEAERN CCC(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000041173857 643492824 /nfs/dbraw/zinc/49/28/24/643492824.db2.gz IETPPJWJIXKKCE-ZDUSSCGKSA-N 0 0 249.310 2.005 10 0 BEAERN CCc1c(Cl)ncnc1NC1CC(OC)C1 ZINC000234123843 643496660 /nfs/dbraw/zinc/49/66/60/643496660.db2.gz JFFPBKKGWPRSSA-UHFFFAOYSA-N 0 0 241.722 2.282 10 0 BEAERN Cc1ncc(COC(=O)[C@@H]2CC[C@@H](C)O2)s1 ZINC000177707040 643557635 /nfs/dbraw/zinc/55/76/35/643557635.db2.gz UHRFELXPEHMAHA-XCBNKYQSSA-N 0 0 241.312 2.062 10 0 BEAERN Cc1cc(Cl)cc(C(=O)N[C@@H](C)[C@H](C)O)c1 ZINC000346372594 643557911 /nfs/dbraw/zinc/55/79/11/643557911.db2.gz AGKATEMLQGXGGO-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000346452089 643571040 /nfs/dbraw/zinc/57/10/40/643571040.db2.gz FIORWUBSHVXROK-WDEREUQCSA-N 0 0 249.354 2.483 10 0 BEAERN CCC[C@H](N)c1nc(-c2ccc(C)o2)no1 ZINC000074047169 643642954 /nfs/dbraw/zinc/64/29/54/643642954.db2.gz FPAAOWLWOZGLCT-QMMMGPOBSA-N 0 0 221.260 2.438 10 0 BEAERN COC[C@H](Cn1cc(Cl)c(N)n1)C(C)C ZINC000721745321 643663365 /nfs/dbraw/zinc/66/33/65/643663365.db2.gz ZBXFCDDHBZWIMT-QMMMGPOBSA-N 0 0 231.727 2.037 10 0 BEAERN Cc1nn(C)cc1-c1ccccc1C=O ZINC000085017746 643680596 /nfs/dbraw/zinc/68/05/96/643680596.db2.gz PQQKLPYGYURRBA-UHFFFAOYSA-N 0 0 200.241 2.208 10 0 BEAERN C[C@](C[NH3+])(CC(=O)[O-])c1cccc(Cl)c1 ZINC000085114032 643685219 /nfs/dbraw/zinc/68/52/19/643685219.db2.gz RVHPJRDSLBWFMB-LLVKDONJSA-N 0 0 227.691 2.031 10 0 BEAERN CCCc1cnn(-c2ccccc2)c1N ZINC000086314506 643985704 /nfs/dbraw/zinc/98/57/04/643985704.db2.gz SXWAXKKTBYQQIQ-UHFFFAOYSA-N 0 0 201.273 2.407 10 0 BEAERN S=C1N=NC(c2ccoc2)N1C1CC1 ZINC000228208396 644059427 /nfs/dbraw/zinc/05/94/27/644059427.db2.gz PKLRULSXKWYJRB-UHFFFAOYSA-N 0 0 207.258 2.162 10 0 BEAERN CCCCOCCOC(=O)[C@@H]1CCCO[C@H]1C ZINC000192203208 644136512 /nfs/dbraw/zinc/13/65/12/644136512.db2.gz RSTUPVYDDQHNFH-NWDGAFQWSA-N 0 0 244.331 2.161 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)OCc1ccoc1 ZINC000192204506 644137993 /nfs/dbraw/zinc/13/79/93/644137993.db2.gz UXEKWCINLCJCTO-KOLCDFICSA-N 0 0 224.256 2.138 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192249703 644139685 /nfs/dbraw/zinc/13/96/85/644139685.db2.gz XRCPCJIPUIISHQ-AXFHLTTASA-N 0 0 214.305 2.389 10 0 BEAERN C=C[C@H](CC)OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192279726 644141865 /nfs/dbraw/zinc/14/18/65/644141865.db2.gz OOIWBXWOZDLMGF-GMTAPVOTSA-N 0 0 212.289 2.309 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@H]1CCCO[C@H]1C ZINC000192281387 644142339 /nfs/dbraw/zinc/14/23/39/644142339.db2.gz MJUAOORIGWUUHQ-RYUDHWBXSA-N 0 0 238.327 2.394 10 0 BEAERN C#CCC(C)(C)COC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192281371 644143372 /nfs/dbraw/zinc/14/33/72/644143372.db2.gz MJUAOORIGWUUHQ-VXGBXAGGSA-N 0 0 238.327 2.394 10 0 BEAERN C[C@@H](OC(=O)CCc1ccco1)[C@@H]1CCOC1 ZINC000079177475 644158641 /nfs/dbraw/zinc/15/86/41/644158641.db2.gz WYRXLLLKJOUFRX-GHMZBOCLSA-N 0 0 238.283 2.180 10 0 BEAERN Cc1occc1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000079175565 644159225 /nfs/dbraw/zinc/15/92/25/644159225.db2.gz KIXHMKVZKVKLPZ-WPRPVWTQSA-N 0 0 224.256 2.170 10 0 BEAERN Cc1occc1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000079175563 644159954 /nfs/dbraw/zinc/15/99/54/644159954.db2.gz KIXHMKVZKVKLPZ-WCBMZHEXSA-N 0 0 224.256 2.170 10 0 BEAERN Cc1ncsc1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000079188726 644160392 /nfs/dbraw/zinc/16/03/92/644160392.db2.gz AURJESYIEXUXPU-RKDXNWHRSA-N 0 0 241.312 2.033 10 0 BEAERN COC(=O)[C@H](C)[C@@H]1CCCc2cccnc21 ZINC000086734497 644171613 /nfs/dbraw/zinc/17/16/13/644171613.db2.gz NZCZYRWHIBNDIG-KOLCDFICSA-N 0 0 219.284 2.311 10 0 BEAERN O=C(Cc1cccc(F)c1)OCC(F)(F)F ZINC000192803040 644185646 /nfs/dbraw/zinc/18/56/46/644185646.db2.gz FTFJESLJOWCFSR-UHFFFAOYSA-N 0 0 236.164 2.474 10 0 BEAERN C[C@@H](O)c1nc2ccccc2n1Cc1ccon1 ZINC000192835174 644186442 /nfs/dbraw/zinc/18/64/42/644186442.db2.gz WPMJKBSXJDOEKC-SECBINFHSA-N 0 0 243.266 2.126 10 0 BEAERN C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000082366466 644373830 /nfs/dbraw/zinc/37/38/30/644373830.db2.gz MIFQXXWACZQKDR-SKDRFNHKSA-N 0 0 219.284 2.098 10 0 BEAERN COCc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000195256714 644374427 /nfs/dbraw/zinc/37/44/27/644374427.db2.gz UVLZGQVLFZMFPA-ZWNOBZJWSA-N 0 0 249.310 2.339 10 0 BEAERN CO[C@@H](C)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000195435209 644390347 /nfs/dbraw/zinc/39/03/47/644390347.db2.gz LZVNMEKQTOEHQQ-VHSXEESVSA-N 0 0 225.288 2.190 10 0 BEAERN CCc1ccc(-c2[nH]nc(N)c2CC)o1 ZINC000085826916 644452458 /nfs/dbraw/zinc/45/24/58/644452458.db2.gz AONBVAJJMXUTQP-UHFFFAOYSA-N 0 0 205.261 2.377 10 0 BEAERN CCc1nccn1-c1nc(Cl)c(C=O)s1 ZINC000087768013 644500363 /nfs/dbraw/zinc/50/03/63/644500363.db2.gz ZWOVZLBIPWNRPN-UHFFFAOYSA-N 0 0 241.703 2.357 10 0 BEAERN CCOC(=O)c1cnc([C@H]2C[C@@H]2C)nc1C ZINC000230386865 644525449 /nfs/dbraw/zinc/52/54/49/644525449.db2.gz PDPPPTIMGCKHAM-CBAPKCEASA-N 0 0 220.272 2.085 10 0 BEAERN CCOC(=O)c1cnc([C@H]2C[C@H]2C)nc1C ZINC000230386870 644526046 /nfs/dbraw/zinc/52/60/46/644526046.db2.gz PDPPPTIMGCKHAM-APPZFPTMSA-N 0 0 220.272 2.085 10 0 BEAERN C[C@]1(COC(=O)[C@@H]2C[C@H]2C2CC2)CCCO1 ZINC000246478440 644589873 /nfs/dbraw/zinc/58/98/73/644589873.db2.gz HINRVJSLSYUBLG-DMDPSCGWSA-N 0 0 224.300 2.145 10 0 BEAERN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000248512116 644683604 /nfs/dbraw/zinc/68/36/04/644683604.db2.gz CEOLUNVMEKVATR-RHYQMDGZSA-N 0 0 226.316 2.247 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OC2C[C@@H](C)O[C@H](C)C2)O1 ZINC000248520819 644685456 /nfs/dbraw/zinc/68/54/56/644685456.db2.gz RDLNILGWXFPQFT-XNDJQWLSSA-N 0 0 242.315 2.053 10 0 BEAERN CC[C@H](C)CC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000249082470 644713166 /nfs/dbraw/zinc/71/31/66/644713166.db2.gz PXEYAZWQHHTPGT-AXFHLTTASA-N 0 0 214.305 2.391 10 0 BEAERN Cc1c(N)n(C)nc1[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000251225338 644798405 /nfs/dbraw/zinc/79/84/05/644798405.db2.gz UEXRGHVVLOFEAD-MYJAWHEDSA-N 0 0 205.305 2.214 10 0 BEAERN COC(=O)[C@@H](NC[C@@H](C)C(C)(C)C)C(C)C ZINC000304239647 644879043 /nfs/dbraw/zinc/87/90/43/644879043.db2.gz CVVKSZLIFKYSPP-MNOVXSKESA-N 0 0 229.364 2.456 10 0 BEAERN COC(=O)[C@H](NC[C@@H](C)C(C)(C)C)C(C)C ZINC000304239645 644878795 /nfs/dbraw/zinc/87/87/95/644878795.db2.gz CVVKSZLIFKYSPP-GHMZBOCLSA-N 0 0 229.364 2.456 10 0 BEAERN COC(=O)[C@H](NC[C@H](C)C(C)(C)C)C(C)C ZINC000304239650 644881046 /nfs/dbraw/zinc/88/10/46/644881046.db2.gz CVVKSZLIFKYSPP-WDEREUQCSA-N 0 0 229.364 2.456 10 0 BEAERN C(c1noc([C@@H]2CCCCN2)n1)C1CCC1 ZINC000304588170 644918925 /nfs/dbraw/zinc/91/89/25/644918925.db2.gz KOQWYXRFLXMZIO-JTQLQIEISA-N 0 0 221.304 2.227 10 0 BEAERN C[C@H](NC(=O)OC1CCCC1)[C@H]1CCCO1 ZINC000304613041 644922146 /nfs/dbraw/zinc/92/21/46/644922146.db2.gz RYVAGQDKXBMCET-GXSJLCMTSA-N 0 0 227.304 2.223 10 0 BEAERN C[C@H]1CC[C@H](NC(=O)n2ccnc2)CC1 ZINC000253137080 644938181 /nfs/dbraw/zinc/93/81/81/644938181.db2.gz TVODXQSDXHVHAN-MGCOHNPYSA-N 0 0 207.277 2.020 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2cc(C(F)F)ncn2)C1 ZINC000724616794 711598997 /nfs/dbraw/zinc/59/89/97/711598997.db2.gz BYXLERKGPCRBTK-HTQZYQBOSA-N 0 0 243.257 2.130 10 0 BEAERN C[C@@H](CC1CCC1)NC(=O)n1ccnc1 ZINC000710202693 712248023 /nfs/dbraw/zinc/24/80/23/712248023.db2.gz DYBWQFZUBZVICV-VIFPVBQESA-N 0 0 207.277 2.020 10 0 BEAERN CCc1ncnc(NC2CC(COC)C2)c1F ZINC000713934982 712473731 /nfs/dbraw/zinc/47/37/31/712473731.db2.gz ICICTOAEKGSOQR-UHFFFAOYSA-N 0 0 239.294 2.015 10 0 BEAERN CC(C)CN(CC(C)C)c1ncc(C=O)cn1 ZINC000126279159 712697542 /nfs/dbraw/zinc/69/75/42/712697542.db2.gz UVPLNUKVRVILJP-UHFFFAOYSA-N 0 0 235.331 2.408 10 0 BEAERN CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)CC1 ZINC000950757178 712726295 /nfs/dbraw/zinc/72/62/95/712726295.db2.gz DURQGKASLNPXKI-UHFFFAOYSA-N 0 0 249.257 2.222 10 0 BEAERN Cc1cnc([C@@H](C)NCCc2ccns2)o1 ZINC000719856589 712824864 /nfs/dbraw/zinc/82/48/64/712824864.db2.gz ZICXMZTUWYOPOR-SECBINFHSA-N 0 0 237.328 2.333 10 0 BEAERN CC1(C)[C@@H]2CN(C(=O)N3CCCCC3)C[C@@H]21 ZINC000380386330 712900568 /nfs/dbraw/zinc/90/05/68/712900568.db2.gz YSCLMDAIKJTSES-PHIMTYICSA-N 0 0 222.332 2.180 10 0 BEAERN C[C@H]1C[N@H+](Cc2ncccc2C(=O)[O-])C(C)(C)C1 ZINC000380400259 712900600 /nfs/dbraw/zinc/90/06/00/712900600.db2.gz OIRIHBMITVOQPF-SNVBAGLBSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@H]1CN(C(=O)N2CCCCC2)CC(C)(C)O1 ZINC000133148501 710968686 /nfs/dbraw/zinc/96/86/86/710968686.db2.gz OHVATQDSEJMEEJ-NSHDSACASA-N 0 0 240.347 2.092 10 0 BEAERN CCn1cc(-c2ccc(C(C)=O)cc2)nn1 ZINC000722042030 712902221 /nfs/dbraw/zinc/90/22/21/712902221.db2.gz TUUUCWBLKNJOSS-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000722043532 712902409 /nfs/dbraw/zinc/90/24/09/712902409.db2.gz GQVAASFQTSVNOA-STQMWFEESA-N 0 0 235.327 2.170 10 0 BEAERN CCC[C@H](N)c1nc(-c2ccc(O)cc2)no1 ZINC000036830865 711480001 /nfs/dbraw/zinc/48/00/01/711480001.db2.gz FSVMAVKYBTVYHY-JTQLQIEISA-N 0 0 233.271 2.242 10 0 BEAERN CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723619399 711526603 /nfs/dbraw/zinc/52/66/03/711526603.db2.gz HUWOQNWNOPAHSK-CQSZACIVSA-N 0 0 246.354 2.499 10 0 BEAERN FC(F)(F)CN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723644044 711529294 /nfs/dbraw/zinc/52/92/94/711529294.db2.gz NUSHROBGCGSWEB-LPEHRKFASA-N 0 0 237.265 2.344 10 0 BEAERN Cc1cc(CNCc2ncc(C)cc2C)n(C)n1 ZINC000724096534 711560471 /nfs/dbraw/zinc/56/04/71/711560471.db2.gz YISFHQGVZLBJCD-UHFFFAOYSA-N 0 0 244.342 2.030 10 0 BEAERN COc1ccc(NCCC2(O)CC2)cc1 ZINC000309082029 711589056 /nfs/dbraw/zinc/58/90/56/711589056.db2.gz RBVJFKJYFBAUEZ-UHFFFAOYSA-N 0 0 207.273 2.022 10 0 BEAERN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ncc[nH]1 ZINC000235218733 711648266 /nfs/dbraw/zinc/64/82/66/711648266.db2.gz VFYIAUAIMMABIJ-RKDXNWHRSA-N 0 0 234.278 2.356 10 0 BEAERN CN(Cc1ccco1)C(=O)N1CCCCC1 ZINC000135919376 711666361 /nfs/dbraw/zinc/66/63/61/711666361.db2.gz IJZYJNKTRRVBAX-UHFFFAOYSA-N 0 0 222.288 2.317 10 0 BEAERN CCCCNC(=S)N1CCCSCC1 ZINC000136101437 711684897 /nfs/dbraw/zinc/68/48/97/711684897.db2.gz HRJQEFJPOACYCD-UHFFFAOYSA-N 0 0 232.418 2.100 10 0 BEAERN Cc1cc2n[nH]cc2cc1N[C@H](C)CCO ZINC000309775939 711689975 /nfs/dbraw/zinc/68/99/75/711689975.db2.gz PTIAHAZTWVCDFD-SECBINFHSA-N 0 0 219.288 2.054 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192105486 711707919 /nfs/dbraw/zinc/70/79/19/711707919.db2.gz PAGQLTDTAQSMOT-IVZWLZJFSA-N 0 0 200.278 2.143 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000722319384 711734877 /nfs/dbraw/zinc/73/48/77/711734877.db2.gz FDFLJTSJKJMTCT-GHMZBOCLSA-N 0 0 227.304 2.079 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000213291247 711736679 /nfs/dbraw/zinc/73/66/79/711736679.db2.gz MEAMVBDYBQRGMV-RTXFEEFZSA-N 0 0 232.327 2.371 10 0 BEAERN O=C([O-])[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000037967435 711755044 /nfs/dbraw/zinc/75/50/44/711755044.db2.gz DWMMVCRETSCSTF-LLVKDONJSA-N 0 0 239.702 2.465 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)C2=CCCCO2)o1 ZINC000174628194 711841912 /nfs/dbraw/zinc/84/19/12/711841912.db2.gz HOIODSYGCBVMRT-JTQLQIEISA-N 0 0 235.283 2.460 10 0 BEAERN Cc1cc(F)ccc1Cn1ccc([C@H](C)O)n1 ZINC000185469495 711906417 /nfs/dbraw/zinc/90/64/17/711906417.db2.gz LRIBFLBVGMNDMQ-JTQLQIEISA-N 0 0 234.274 2.432 10 0 BEAERN CN(C[C@H]1CCCCO1)C(=O)N1CCCCC1 ZINC000132597029 711972726 /nfs/dbraw/zinc/97/27/26/711972726.db2.gz HOCZFIFTSQNPAF-GFCCVEGCSA-N 0 0 240.347 2.093 10 0 BEAERN CN(C[C@@H]1CCCCO1)C(=O)N1CCCCC1 ZINC000132596813 711972851 /nfs/dbraw/zinc/97/28/51/711972851.db2.gz HOCZFIFTSQNPAF-LBPRGKRZSA-N 0 0 240.347 2.093 10 0 BEAERN CCc1cnc(CN2CCC[C@H](C(C)=O)C2)o1 ZINC000700406630 711991883 /nfs/dbraw/zinc/99/18/83/711991883.db2.gz XKYMWBDLAULCNK-NSHDSACASA-N 0 0 236.315 2.038 10 0 BEAERN CCCOC(=O)[C@H]1Cc2ccccc2CO1 ZINC000700713706 712003877 /nfs/dbraw/zinc/00/38/77/712003877.db2.gz GSRBKVCWGVPZTN-GFCCVEGCSA-N 0 0 220.268 2.081 10 0 BEAERN CC(=O)c1ccc(-c2cn3c(n2)COCC3)cc1 ZINC000706292847 712144187 /nfs/dbraw/zinc/14/41/87/712144187.db2.gz DLMNHNPSRCSXCF-UHFFFAOYSA-N 0 0 242.278 2.283 10 0 BEAERN CC(C)CNC(=S)N1C[C@H]2CCC[C@H]21 ZINC000706848516 712157236 /nfs/dbraw/zinc/15/72/36/712157236.db2.gz NDTHSYUATLAJCM-NXEZZACHSA-N 0 0 212.362 2.001 10 0 BEAERN O=C(c1ccc(Cl)nc1)N1C[C@H]2CCC[C@@H]21 ZINC000706885369 712158820 /nfs/dbraw/zinc/15/88/20/712158820.db2.gz UNROILJXELZUMN-ZJUUUORDSA-N 0 0 236.702 2.360 10 0 BEAERN Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]32)n1 ZINC000706885398 712159009 /nfs/dbraw/zinc/15/90/09/712159009.db2.gz VAHGBXZQKZKUOA-DTWKUNHWSA-N 0 0 223.707 2.427 10 0 BEAERN O=C(c1cccc(Cl)n1)N1C[C@H]2CCC[C@@H]21 ZINC000706886252 712159142 /nfs/dbraw/zinc/15/91/42/712159142.db2.gz WUDSWGKEQGUTIT-SCZZXKLOSA-N 0 0 236.702 2.360 10 0 BEAERN CC[C@H](C)[C@@H](NC1CC(SC)C1)C(=O)OC ZINC000706944696 712162762 /nfs/dbraw/zinc/16/27/62/712162762.db2.gz GPNWUMVIMAXSLP-IDWGSYCQSA-N 0 0 245.388 2.058 10 0 BEAERN CC[C@H](C)[C@H](NC1CC(SC)C1)C(=O)OC ZINC000706944698 712162878 /nfs/dbraw/zinc/16/28/78/712162878.db2.gz GPNWUMVIMAXSLP-PMUOWJKOSA-N 0 0 245.388 2.058 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)C1 ZINC000707772393 712177499 /nfs/dbraw/zinc/17/74/99/712177499.db2.gz GLPYVKCOCFFAHH-RGCYKPLRSA-N 0 0 249.354 2.106 10 0 BEAERN CC[C@@H](C)CC(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707804100 712178257 /nfs/dbraw/zinc/17/82/57/712178257.db2.gz BSIMONGDUFDUER-PWSUYJOCSA-N 0 0 225.332 2.250 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC000707786792 712178618 /nfs/dbraw/zinc/17/86/18/712178618.db2.gz RKERDRWRCWSSFO-AAEUAGOBSA-N 0 0 239.359 2.496 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000707808176 712178933 /nfs/dbraw/zinc/17/89/33/712178933.db2.gz RJOHVGLTRSDPRI-YRGRVCCFSA-N 0 0 235.327 2.004 10 0 BEAERN CC(=O)[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC000707805935 712179146 /nfs/dbraw/zinc/17/91/46/712179146.db2.gz JRVVIOUFWFQKLI-PWSUYJOCSA-N 0 0 225.332 2.106 10 0 BEAERN CCn1cc(-c2ccc3c(c2)CCC3=O)nn1 ZINC000707876840 712181556 /nfs/dbraw/zinc/18/15/56/712181556.db2.gz WYDPVPFJQDWJLC-UHFFFAOYSA-N 0 0 227.267 2.094 10 0 BEAERN CCc1cc(NC2CC(SC)C2)ncn1 ZINC000708287414 712185688 /nfs/dbraw/zinc/18/56/88/712185688.db2.gz AWLDVJKXVPDMGK-UHFFFAOYSA-N 0 0 223.345 2.345 10 0 BEAERN Cc1nc(CN[C@H]2COc3ccccc32)[nH]c1C ZINC000709041227 712206559 /nfs/dbraw/zinc/20/65/59/712206559.db2.gz OAGOZIKNUFQYEB-LBPRGKRZSA-N 0 0 243.310 2.250 10 0 BEAERN C[C@@H]1COC[C@@H]1Nc1cccc(-n2cccn2)c1 ZINC000710837474 712258008 /nfs/dbraw/zinc/25/80/08/712258008.db2.gz GPRLKLMNILJBJV-RISCZKNCSA-N 0 0 243.310 2.319 10 0 BEAERN CC(C)OC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000711374741 712295641 /nfs/dbraw/zinc/29/56/41/712295641.db2.gz DCAXPLRFQQJNPB-SNVBAGLBSA-N 0 0 229.320 2.326 10 0 BEAERN COC(=O)c1sccc1C[NH2+][C@@H]1C[C@H]1C ZINC000378659275 712356570 /nfs/dbraw/zinc/35/65/70/712356570.db2.gz FLMWOBKANXHKOE-VXNVDRBHSA-N 0 0 225.313 2.033 10 0 BEAERN CN[C@H](C)c1nc(CC2CCCCC2)no1 ZINC000379133116 712370311 /nfs/dbraw/zinc/37/03/11/712370311.db2.gz WCQWGVSXLFAAFW-SECBINFHSA-N 0 0 223.320 2.473 10 0 BEAERN CSC1CC(NC(=S)NCC(C)C)C1 ZINC000707221097 712372199 /nfs/dbraw/zinc/37/21/99/712372199.db2.gz TUHAJMMLHSXZKL-UHFFFAOYSA-N 0 0 232.418 2.001 10 0 BEAERN Cc1cnc([C@H](C)Nc2nccc3nc[nH]c32)o1 ZINC000714221504 712479121 /nfs/dbraw/zinc/47/91/21/712479121.db2.gz OMLJLIMZAXSOBY-QMMMGPOBSA-N 0 0 243.270 2.427 10 0 BEAERN CCC[C@@H](N)c1nc(-c2ccc(O)cc2)no1 ZINC000036830866 712502252 /nfs/dbraw/zinc/50/22/52/712502252.db2.gz FSVMAVKYBTVYHY-SNVBAGLBSA-N 0 0 233.271 2.242 10 0 BEAERN CC(C)OC(=O)N[C@H](C)c1ccns1 ZINC000716361126 712556687 /nfs/dbraw/zinc/55/66/87/712556687.db2.gz FGYJZQCJTMAWNE-SSDOTTSWSA-N 0 0 214.290 2.339 10 0 BEAERN CCCCCC[NH2+][C@@H](CCC)C(=O)[O-] ZINC000037409713 712604421 /nfs/dbraw/zinc/60/44/21/712604421.db2.gz OQLXNYXTLQTICJ-JTQLQIEISA-N 0 0 201.310 2.410 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)c1cscc1C(F)F ZINC000717241670 712641426 /nfs/dbraw/zinc/64/14/26/712641426.db2.gz LOWYMJZTQHIGRX-WDSKDSINSA-N 0 0 249.282 2.185 10 0 BEAERN C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)C1CCCC1 ZINC000041315066 712719728 /nfs/dbraw/zinc/71/97/28/712719728.db2.gz KVAJKTKEZQNSSD-TUAOUCFPSA-N 0 0 239.359 2.449 10 0 BEAERN CCOC(OCC)C(=O)c1nc(C)cs1 ZINC000950757186 712726374 /nfs/dbraw/zinc/72/63/74/712726374.db2.gz FMKYWCGAXFFEDK-UHFFFAOYSA-N 0 0 229.301 2.033 10 0 BEAERN Cc1coc(C(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000718488387 712766179 /nfs/dbraw/zinc/76/61/79/712766179.db2.gz HRDQILSBGZHVNZ-VHSXEESVSA-N 0 0 205.257 2.213 10 0 BEAERN COCC(C)(C)CCNC(=O)OC(C)C ZINC000718907687 712787394 /nfs/dbraw/zinc/78/73/94/712787394.db2.gz SEOVOMBTASXHCU-UHFFFAOYSA-N 0 0 217.309 2.184 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1ccnc2ncccc12 ZINC000718933314 712788741 /nfs/dbraw/zinc/78/87/41/712788741.db2.gz PLCKCCAPUHLMQW-GXSJLCMTSA-N 0 0 229.283 2.219 10 0 BEAERN C[C@H](O)[C@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC000719007853 712793588 /nfs/dbraw/zinc/79/35/88/712793588.db2.gz KBSNGZHTGIGOFY-SRVKXCTJSA-N 0 0 225.332 2.008 10 0 BEAERN COC(=O)c1ccccc1N(C)Cc1ccon1 ZINC000720356098 712833706 /nfs/dbraw/zinc/83/37/06/712833706.db2.gz WULZOLKHXJACOH-UHFFFAOYSA-N 0 0 246.266 2.098 10 0 BEAERN Cc1ccc(CN[C@H](C)c2cn(C)nn2)c(F)c1 ZINC000720594945 712856239 /nfs/dbraw/zinc/85/62/39/712856239.db2.gz JBQUFOAJDJKXGK-SNVBAGLBSA-N 0 0 248.305 2.113 10 0 BEAERN Cc1ccc(CN[C@@H](C)c2cn(C)nn2)cc1C ZINC000720596245 712856565 /nfs/dbraw/zinc/85/65/65/712856565.db2.gz QGVYBYKCEVCFPT-LBPRGKRZSA-N 0 0 244.342 2.283 10 0 BEAERN Cc1ccc(F)c(CN[C@H](C)c2cn(C)nn2)c1 ZINC000720594770 712856759 /nfs/dbraw/zinc/85/67/59/712856759.db2.gz HNCKJJXFQQOLOY-SNVBAGLBSA-N 0 0 248.305 2.113 10 0 BEAERN COc1ccccc1Sc1ncc(C=O)cn1 ZINC000128752855 1165797536 /nfs/dbraw/zinc/79/75/36/1165797536.db2.gz CSVMZHAIEDDZEU-UHFFFAOYSA-N 0 0 246.291 2.449 10 0 BEAERN C=CC(=O)N(C)CCOc1ccc(C)cc1 ZINC000037829186 1165807545 /nfs/dbraw/zinc/80/75/45/1165807545.db2.gz UHEHNBRUOZRHST-UHFFFAOYSA-N 0 0 219.284 2.018 10 0 BEAERN CNc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)nc1 ZINC000129341881 1166174807 /nfs/dbraw/zinc/17/48/07/1166174807.db2.gz HLPKHZCXZSUTLI-NXEZZACHSA-N 0 0 233.315 2.042 10 0 BEAERN C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635233 976378364 /nfs/dbraw/zinc/37/83/64/976378364.db2.gz TVBHSVUNQYWRSM-GMTAPVOTSA-N 0 0 225.332 2.218 10 0 BEAERN CC1([NH2+]Cc2ccc(C(=O)[O-])o2)CC=CC1 ZINC000702131413 977066263 /nfs/dbraw/zinc/06/62/63/977066263.db2.gz JIRJFTUMNKZDJH-UHFFFAOYSA-N 0 0 221.256 2.176 10 0 BEAERN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@@H]1C ZINC000706911478 977367978 /nfs/dbraw/zinc/36/79/78/977367978.db2.gz BABVMQCCRZCBFI-CKYFFXLPSA-N 0 0 219.284 2.153 10 0 BEAERN CC[C@@](C)([NH2+]C[C@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381823 977634040 /nfs/dbraw/zinc/63/40/40/977634040.db2.gz OKRHOJAJTIJLDB-ZWNOBZJWSA-N 0 0 243.347 2.035 10 0 BEAERN CSCCC(=O)OCc1nc(C)c(C)o1 ZINC000132776269 1168946436 /nfs/dbraw/zinc/94/64/36/1168946436.db2.gz YMTPSNJYZWBOBP-UHFFFAOYSA-N 0 0 229.301 2.088 10 0 BEAERN CC(C)CCC(=O)OC[C@H]1COC(C)(C)O1 ZINC000132938215 1168947986 /nfs/dbraw/zinc/94/79/86/1168947986.db2.gz QFFPSQBXMAQWAY-JTQLQIEISA-N 0 0 230.304 2.117 10 0 BEAERN Cc1ccc(C[NH2+]CCCC(=O)[O-])c(F)c1 ZINC000686308642 954609535 /nfs/dbraw/zinc/60/95/35/954609535.db2.gz FTHMFWPAOUFXNA-UHFFFAOYSA-N 0 0 225.263 2.089 10 0 BEAERN CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)[O-])CO1 ZINC000688534450 954626429 /nfs/dbraw/zinc/62/64/29/954626429.db2.gz DVHWLLYZAIJQMJ-NEPJUHHUSA-N 0 0 249.310 2.042 10 0 BEAERN CC[C@@H](C(=O)[O-])[N@H+](C)CC1CC2(CCC2)C1 ZINC000691881169 954689627 /nfs/dbraw/zinc/68/96/27/954689627.db2.gz SCDCSANTVJGNFT-NSHDSACASA-N 0 0 225.332 2.362 10 0 BEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000694538240 954778152 /nfs/dbraw/zinc/77/81/52/954778152.db2.gz IQNOFAGJCXIVIQ-WDEREUQCSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)[C@@H]([NH2+]C1CCC2(CC2)CC1)C(=O)[O-] ZINC000695664688 954815032 /nfs/dbraw/zinc/81/50/32/954815032.db2.gz REUICANIWQMBTK-LLVKDONJSA-N 0 0 225.332 2.408 10 0 BEAERN CC[C@H](CC(F)F)C[N@H+](C)CCCC(=O)[O-] ZINC000699725033 954859036 /nfs/dbraw/zinc/85/90/36/954859036.db2.gz PMMCTUAWEZYNKN-SECBINFHSA-N 0 0 237.290 2.464 10 0 BEAERN O=C([O-])c1ccc(C[NH2+]C2CC(F)(F)C2)s1 ZINC000700020816 954861349 /nfs/dbraw/zinc/86/13/49/954861349.db2.gz AYSZVVZJFLRPCT-UHFFFAOYSA-N 0 0 247.266 2.334 10 0 BEAERN COC1CCC([NH2+]CCC(C)(C)C(=O)[O-])CC1 ZINC000703794703 954917517 /nfs/dbraw/zinc/91/75/17/954917517.db2.gz NVULYKJILQQTCA-UHFFFAOYSA-N 0 0 243.347 2.035 10 0 BEAERN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708533926 955000836 /nfs/dbraw/zinc/00/08/36/955000836.db2.gz YTORCKJTTQYYJZ-NXEZZACHSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000706735703 954955797 /nfs/dbraw/zinc/95/57/97/954955797.db2.gz UGZDEXFEVULWKG-NXEZZACHSA-N 0 0 219.284 2.225 10 0 BEAERN CO[C@@H]1CCC[C@@H]([NH2+]CCCCC(=O)[O-])CC1 ZINC000718375745 955157612 /nfs/dbraw/zinc/15/76/12/955157612.db2.gz VRRXHMJOTSBARC-VXGBXAGGSA-N 0 0 243.347 2.179 10 0 BEAERN CSCc1ccc(C[NH2+]CCC(=O)[O-])cc1 ZINC000725107746 955214483 /nfs/dbraw/zinc/21/44/83/955214483.db2.gz OVMKFKCNTDQZET-UHFFFAOYSA-N 0 0 239.340 2.114 10 0 BEAERN Cc1cccnc1/C=C\C(=O)OC[C@H]1CCCO1 ZINC000588455313 958584154 /nfs/dbraw/zinc/58/41/54/958584154.db2.gz RWFIWQRIJPQOPD-ZHRWSRJISA-N 0 0 247.294 2.125 10 0 BEAERN C=COCCOC(=O)/C=C\c1ncccc1C ZINC000588456741 958585718 /nfs/dbraw/zinc/58/57/18/958585718.db2.gz VEZKRQPQCHHRCB-SREVYHEPSA-N 0 0 233.267 2.107 10 0 BEAERN CC(C)C[C@H](C)OC(=O)/C=C\c1ccncn1 ZINC000588468245 958692071 /nfs/dbraw/zinc/69/20/71/958692071.db2.gz LYWSAMQXTHRQKY-WYGGZMRJSA-N 0 0 234.299 2.468 10 0 BEAERN CC(C)(C)COC(=O)/C=C\c1ccncn1 ZINC000588468285 958697336 /nfs/dbraw/zinc/69/73/36/958697336.db2.gz YOBGBGIGJTWLMX-PLNGDYQASA-N 0 0 220.272 2.079 10 0 BEAERN C[C@@H]1OCC[C@@H]1OC(=O)/C=C\C(C)(C)C ZINC000588492728 958823498 /nfs/dbraw/zinc/82/34/98/958823498.db2.gz MDSSNOMQGJOBDY-XTKVZWQSSA-N 0 0 212.289 2.309 10 0 BEAERN C[C@@H]1OCC[C@H]1OC(=O)/C=C\C(C)(C)C ZINC000588492729 958825292 /nfs/dbraw/zinc/82/52/92/958825292.db2.gz MDSSNOMQGJOBDY-ZBOIFRAGSA-N 0 0 212.289 2.309 10 0 BEAERN C=COCCOC(=O)/C=C\c1scnc1C ZINC000588522161 958925628 /nfs/dbraw/zinc/92/56/28/958925628.db2.gz YZKRXRYZXLNPIL-PLNGDYQASA-N 0 0 239.296 2.168 10 0 BEAERN C/C=C(\CC)C(=O)NCCc1c(C)nn(C)c1C ZINC000588565938 959186812 /nfs/dbraw/zinc/18/68/12/959186812.db2.gz FTKCBFDDIHPRMD-WUXMJOGZSA-N 0 0 249.358 2.052 10 0 BEAERN C/C=C(/CC)C(=O)OC[C@]1(C)CCCO1 ZINC000588570195 959259957 /nfs/dbraw/zinc/25/99/57/959259957.db2.gz YWGIQDWJVAJFDV-JOTVYFQTSA-N 0 0 212.289 2.455 10 0 BEAERN O=C1Oc2ccccc2/C1=C\c1cocn1 ZINC000588580956 959361029 /nfs/dbraw/zinc/36/10/29/959361029.db2.gz XNVWALPVFNNKLK-BJMVGYQFSA-N 0 0 213.192 2.134 10 0 BEAERN CCO[C@@H]1C[C@H]1COC(=O)/C=C(/C)C1CC1 ZINC000588599894 959573376 /nfs/dbraw/zinc/57/33/76/959573376.db2.gz QWELONQNARZUBJ-NYMIHGAESA-N 0 0 224.300 2.311 10 0 BEAERN CCOC[C@@H](C)OC(=O)/C=C(/C)C1CC1 ZINC000588586885 960109179 /nfs/dbraw/zinc/10/91/79/960109179.db2.gz SJYXJNXMNUHGGP-UJICNMFASA-N 0 0 212.289 2.311 10 0 BEAERN C[C@@H](NC(=O)[C@H](C)OCC1CC1)C(C)(C)C ZINC000112248955 960860656 /nfs/dbraw/zinc/86/06/56/960860656.db2.gz YHGIDAVGXIIXDI-VHSXEESVSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1noc(C)c1CC(=O)N[C@H](C)C(C)(C)C ZINC000112249523 960861354 /nfs/dbraw/zinc/86/13/54/960861354.db2.gz WQJOBZCHKPNNKW-SNVBAGLBSA-N 0 0 238.331 2.385 10 0 BEAERN C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2N)C1 ZINC000050017780 962736109 /nfs/dbraw/zinc/73/61/09/962736109.db2.gz HQYKTVNCINGNET-SSDOTTSWSA-N 0 0 240.253 2.029 10 0 BEAERN O=C(NCC[C@@H]1CNc2ccccc21)NC1CC1 ZINC000054457108 963988408 /nfs/dbraw/zinc/98/84/08/963988408.db2.gz DQQJBSFQLWDBCB-SNVBAGLBSA-N 0 0 245.326 2.047 10 0 BEAERN CCCC(=O)Oc1cc(C(=O)N(C)C)ccc1C ZINC000130202834 965701152 /nfs/dbraw/zinc/70/11/52/965701152.db2.gz MJMBBVNSGPVANW-UHFFFAOYSA-N 0 0 249.310 2.402 10 0 BEAERN CC1CN(c2cc(Cl)nc(C3CC3)n2)C1 ZINC000038476126 966713253 /nfs/dbraw/zinc/71/32/53/966713253.db2.gz XQEKVDKDTINMOM-UHFFFAOYSA-N 0 0 223.707 2.464 10 0 BEAERN C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000695962646 968961223 /nfs/dbraw/zinc/96/12/23/968961223.db2.gz UZKKKQCPWMTEIO-YUSALJHKSA-N 0 0 225.332 2.408 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706339652 969015167 /nfs/dbraw/zinc/01/51/67/969015167.db2.gz AMWLEBFOFGMBDL-DTWKUNHWSA-N 0 0 235.274 2.073 10 0 BEAERN Cc1coc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000718084715 969099388 /nfs/dbraw/zinc/09/93/88/969099388.db2.gz BFUMEBKMMCXVLS-JQWIXIFHSA-N 0 0 237.299 2.131 10 0 BEAERN Nc1c(Cl)cccc1C(=O)Nc1cnoc1 ZINC000125406070 972808869 /nfs/dbraw/zinc/80/88/69/972808869.db2.gz DSEOLXDDMQTESN-UHFFFAOYSA-N 0 0 237.646 2.163 10 0 BEAERN Nc1ccc(F)cc1C(=O)NC(C1CC1)C1CC1 ZINC000042372498 973037377 /nfs/dbraw/zinc/03/73/77/973037377.db2.gz PWYGYWOVIJLOLQ-UHFFFAOYSA-N 0 0 248.301 2.326 10 0 BEAERN Cc1ccc(C[N@H+](CC(=O)[O-])C2CC2)c(F)c1 ZINC000686308236 976104075 /nfs/dbraw/zinc/10/40/75/976104075.db2.gz PBXCAZRZHRZFRM-UHFFFAOYSA-N 0 0 237.274 2.183 10 0 BEAERN CSc1cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000686957190 976124213 /nfs/dbraw/zinc/12/42/13/976124213.db2.gz YMZKVUSHHXLFCU-VIFPVBQESA-N 0 0 239.340 2.313 10 0 BEAERN CC[C@@H]1CC[C@H](C)[N@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691546936 976365180 /nfs/dbraw/zinc/36/51/80/976365180.db2.gz CANPCFAZXWSKQC-WDEREUQCSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@H]1CCC[C@H]([N@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628040 976378911 /nfs/dbraw/zinc/37/89/11/976378911.db2.gz LAFNUKPNKPQDAX-QWRGUYRKSA-N 0 0 225.332 2.362 10 0 BEAERN Cc1c(C(=O)[O-])cc(C[NH2+][C@]23C[C@H]2CCC3)n1C ZINC000693233123 976595177 /nfs/dbraw/zinc/59/51/77/976595177.db2.gz ROYDRIIIWPAVIZ-QMTHXVAHSA-N 0 0 248.326 2.064 10 0 BEAERN O=C([O-])[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)C1CC1 ZINC000693613680 976647487 /nfs/dbraw/zinc/64/74/87/976647487.db2.gz YUEXDVQBLKVHAE-WZRBSPASSA-N 0 0 223.316 2.020 10 0 BEAERN CC(C)(CC(=O)[O-])[NH2+]CCOCC1CCCC1 ZINC000694032583 976663391 /nfs/dbraw/zinc/66/33/91/976663391.db2.gz BNKHTAAIPNTULA-UHFFFAOYSA-N 0 0 243.347 2.036 10 0 BEAERN O=C([O-])c1occc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694375366 976692101 /nfs/dbraw/zinc/69/21/01/976692101.db2.gz SDVPGRODKOLQAW-DVVUODLYSA-N 0 0 235.283 2.256 10 0 BEAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CC2)C1 ZINC000695084137 976776800 /nfs/dbraw/zinc/77/68/00/976776800.db2.gz RMAXJRGKNXMCMZ-RYUDHWBXSA-N 0 0 225.332 2.218 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CCSC[C@H](C)C1 ZINC000695164963 976785034 /nfs/dbraw/zinc/78/50/34/976785034.db2.gz FDLFPBKZMDEWNA-GHMZBOCLSA-N 0 0 245.388 2.171 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CCS[C@@H](C)CC1 ZINC000695166616 976787220 /nfs/dbraw/zinc/78/72/20/976787220.db2.gz MSWBWSWTNULZCZ-WDEREUQCSA-N 0 0 245.388 2.313 10 0 BEAERN C[C@H](CSCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695297536 976790274 /nfs/dbraw/zinc/79/02/74/976790274.db2.gz IXYJPWMDUUXBLP-LLVKDONJSA-N 0 0 245.388 2.316 10 0 BEAERN C[C@@H](CC(=O)[O-])SCCC[NH+]1CCCCC1 ZINC000695297515 976790705 /nfs/dbraw/zinc/79/07/05/976790705.db2.gz AAWWKDKKGQMLEH-NSHDSACASA-N 0 0 245.388 2.459 10 0 BEAERN CC[C@@H](C)CC[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000696259876 976810285 /nfs/dbraw/zinc/81/02/85/976810285.db2.gz VWDPQVAVIZDCBC-MRVPVSSYSA-N 0 0 242.344 2.367 10 0 BEAERN Cc1[nH]c(C[NH2+]C2(C3CCC3)CC2)cc1C(=O)[O-] ZINC000697360463 976840615 /nfs/dbraw/zinc/84/06/15/976840615.db2.gz PJXMYTBXKPJWQO-UHFFFAOYSA-N 0 0 248.326 2.444 10 0 BEAERN C[N@@H+]1CCC[C@@H]1CCSCC(C)(C)C(=O)[O-] ZINC000700324956 976946482 /nfs/dbraw/zinc/94/64/82/976946482.db2.gz AJBHOBWPJSGJRY-SNVBAGLBSA-N 0 0 245.388 2.315 10 0 BEAERN C[N@@H+]1CCC[C@H]1CCSCC(C)(C)C(=O)[O-] ZINC000700324955 976946850 /nfs/dbraw/zinc/94/68/50/976946850.db2.gz AJBHOBWPJSGJRY-JTQLQIEISA-N 0 0 245.388 2.315 10 0 BEAERN Cc1ccc(CN2CC[C@@H](F)C2)cc1C(=O)[O-] ZINC000701825154 977045479 /nfs/dbraw/zinc/04/54/79/977045479.db2.gz CZSIFIWTXGYVSY-LLVKDONJSA-N 0 0 237.274 2.237 10 0 BEAERN CCCCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000702744378 977118582 /nfs/dbraw/zinc/11/85/82/977118582.db2.gz XPDPPMOUGXZSQG-AAEUAGOBSA-N 0 0 243.347 2.131 10 0 BEAERN CCCCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000702744380 977118861 /nfs/dbraw/zinc/11/88/61/977118861.db2.gz XPDPPMOUGXZSQG-WCQYABFASA-N 0 0 243.347 2.131 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000706039058 977306274 /nfs/dbraw/zinc/30/62/74/977306274.db2.gz RREHHZIMSSKQMP-GCMXNLHISA-N 0 0 223.316 2.282 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)nc1 ZINC000706437920 977320702 /nfs/dbraw/zinc/32/07/02/977320702.db2.gz PMIFBEARKARUFM-ZDUSSCGKSA-N 0 0 246.310 2.154 10 0 BEAERN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000706774717 977361483 /nfs/dbraw/zinc/36/14/83/977361483.db2.gz NDAOBPKTRYJXOE-DTWKUNHWSA-N 0 0 237.274 2.364 10 0 BEAERN O=C([O-])c1ccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)nc1 ZINC000706938345 977369845 /nfs/dbraw/zinc/36/98/45/977369845.db2.gz DSEJNORJQGGQHQ-DGCLKSJQSA-N 0 0 246.310 2.154 10 0 BEAERN CSC1CC([NH2+]CCCCCC(=O)[O-])C1 ZINC000707006999 977372752 /nfs/dbraw/zinc/37/27/52/977372752.db2.gz WHVNNOOGNGZXTE-UHFFFAOYSA-N 0 0 231.361 2.115 10 0 BEAERN O=C([O-])c1coc(C[N@@H+]2CCC23CCCC3)c1 ZINC000707307627 977382397 /nfs/dbraw/zinc/38/23/97/977382397.db2.gz QPDNVJRQVDDPHQ-UHFFFAOYSA-N 0 0 235.283 2.496 10 0 BEAERN C[C@H]([NH2+]CCC(=O)[O-])C1CCC(F)(F)CC1 ZINC000709218315 977454277 /nfs/dbraw/zinc/45/42/77/977454277.db2.gz WHYRVBNNGLEFDN-QMMMGPOBSA-N 0 0 235.274 2.265 10 0 BEAERN C[C@H]1C[N@H+](CC2CCCC2)C[C@]1(C)C(=O)[O-] ZINC000710160281 977488702 /nfs/dbraw/zinc/48/87/02/977488702.db2.gz LOMCKCMPKARGGR-GWCFXTLKSA-N 0 0 225.332 2.219 10 0 BEAERN Cc1ccoc1C[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710279698 977500198 /nfs/dbraw/zinc/50/01/98/977500198.db2.gz SFPCVNTVWHHDBA-GWCFXTLKSA-N 0 0 237.299 2.131 10 0 BEAERN CCC[C@](C)([NH2+]CC[C@@H]1CCCCO1)C(=O)[O-] ZINC000711016424 977527630 /nfs/dbraw/zinc/52/76/30/977527630.db2.gz HLKZMHMUQBXSPW-AAEUAGOBSA-N 0 0 243.347 2.179 10 0 BEAERN C=C/C=C\CC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000713711161 977657916 /nfs/dbraw/zinc/65/79/16/977657916.db2.gz QSFCPHSCVQIEHF-MVZIDQBPSA-N 0 0 223.316 2.448 10 0 BEAERN CC(C)[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)[O-] ZINC000714338042 977667306 /nfs/dbraw/zinc/66/73/06/977667306.db2.gz JMYFCIUPAAVLGB-MNOVXSKESA-N 0 0 243.347 2.033 10 0 BEAERN CC1(C)CCC[C@@H]1[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715253331 977709295 /nfs/dbraw/zinc/70/92/95/977709295.db2.gz WZZTXQVZTVAHPQ-CIUDSAMLSA-N 0 0 247.285 2.121 10 0 BEAERN C[C@H](CC(C)(C)C)[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715329741 977743254 /nfs/dbraw/zinc/74/32/54/977743254.db2.gz ZAKMNMKQDKIFRI-HRDYMLBCSA-N 0 0 249.301 2.367 10 0 BEAERN CC1(C[NH2+]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCCC1 ZINC000715638627 977775912 /nfs/dbraw/zinc/77/59/12/977775912.db2.gz CDZHIGJODXENQA-IUCAKERBSA-N 0 0 247.285 2.122 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000716459635 977840014 /nfs/dbraw/zinc/84/00/14/977840014.db2.gz FKRQCODDTFCDEY-NUGNTBJXSA-N 0 0 249.310 2.360 10 0 BEAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000716461601 977841866 /nfs/dbraw/zinc/84/18/66/977841866.db2.gz JVAUUSXSLCWOCI-MNUQUWEESA-N 0 0 249.310 2.360 10 0 BEAERN O=C([O-])CCCC[NH2+]C1(C2CC2)CCC1 ZINC000717904381 977924868 /nfs/dbraw/zinc/92/48/68/977924868.db2.gz GQTJBZAXECULRE-UHFFFAOYSA-N 0 0 211.305 2.164 10 0 BEAERN O=C([O-])[C@H]([NH2+][C@H]1CC12CCC2)c1ccccc1 ZINC000721224451 978096457 /nfs/dbraw/zinc/09/64/57/978096457.db2.gz DCYUVUXTKJANDG-NWDGAFQWSA-N 0 0 231.295 2.345 10 0 BEAERN CCCC[C@H]([NH2+][C@H]1CC12CCC2)C(=O)[O-] ZINC000721222690 978096484 /nfs/dbraw/zinc/09/64/84/978096484.db2.gz QFMKDQLGAAIKEK-UWVGGRQHSA-N 0 0 211.305 2.162 10 0 BEAERN CCC(CC)([NH2+]C[C@H](COC)C(C)C)C(=O)[O-] ZINC000721862876 978127642 /nfs/dbraw/zinc/12/76/42/978127642.db2.gz YUTOAAKUZJXLNN-LLVKDONJSA-N 0 0 245.363 2.138 10 0 BEAERN CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000723140281 978172071 /nfs/dbraw/zinc/17/20/71/978172071.db2.gz PNTQMIFEXVQOQC-NOHGZBONSA-N 0 0 225.332 2.075 10 0 BEAERN C/C(=C\C(=O)[O-])C[NH+]1CCC(C2CC2)CC1 ZINC000724687904 978236046 /nfs/dbraw/zinc/23/60/46/978236046.db2.gz VOXCFBHUCOGAFE-CSKARUKUSA-N 0 0 223.316 2.139 10 0 BEAERN CCC[C@H](C)NC(=O)c1cc(F)ccc1N ZINC000036882829 1170918737 /nfs/dbraw/zinc/91/87/37/1170918737.db2.gz PLMDKDGVTKAHCY-QMMMGPOBSA-N 0 0 224.279 2.326 10 0 BEAERN Cc1ccc(N(C)C(=O)c2cc(N)ccn2)cc1 ZINC000050708192 1171830895 /nfs/dbraw/zinc/83/08/95/1171830895.db2.gz ZLATVPRKVQWNRT-UHFFFAOYSA-N 0 0 241.294 2.249 10 0 BEAERN CC(C)n1nc2c(c1N)CC(F)(F)CC2 ZINC000685953627 538898087 /nfs/dbraw/zinc/89/80/87/538898087.db2.gz XTKBSJHPINSDBU-UHFFFAOYSA-N 0 0 215.247 2.170 10 0 BEAERN CCC(C)(CC)NC(=O)c1cccc(C(N)=O)c1 ZINC000112937833 168309521 /nfs/dbraw/zinc/30/95/21/168309521.db2.gz AWQNPUVSIRDBLF-UHFFFAOYSA-N 0 0 248.326 2.094 10 0 BEAERN Cc1cc(C)cc(OCCC(N)=S)c1 ZINC000005592773 177912637 /nfs/dbraw/zinc/91/26/37/177912637.db2.gz NKNQFIUCRIZGQM-UHFFFAOYSA-N 0 0 209.314 2.358 10 0 BEAERN CCN1CCC(=O)C12CCC(F)(F)CC2 ZINC000685953973 538898965 /nfs/dbraw/zinc/89/89/65/538898965.db2.gz KAWQMIYFCITMRU-UHFFFAOYSA-N 0 0 217.259 2.229 10 0 BEAERN Cc1nc2c(Cl)cccc2cc1NN ZINC000685963627 538910422 /nfs/dbraw/zinc/91/04/22/538910422.db2.gz UIHHBSKRBAXBQX-UHFFFAOYSA-N 0 0 207.664 2.482 10 0 BEAERN CCCC[C@@H](C)c1n[nH]nc1C(=O)OCC ZINC000685954559 538899234 /nfs/dbraw/zinc/89/92/34/538899234.db2.gz UGYIDGWHAHSWKF-MRVPVSSYSA-N 0 0 225.292 2.275 10 0 BEAERN Cc1cnc(C(Cl)(Cl)Cl)nc1CO ZINC000685956010 538901953 /nfs/dbraw/zinc/90/19/53/538901953.db2.gz ISCYFULDYVDREI-UHFFFAOYSA-N 0 0 241.505 2.104 10 0 BEAERN CC[C@@H]1Nc2c(C)cccc2C[C@@]1(C)O ZINC000685963724 538910475 /nfs/dbraw/zinc/91/04/75/538910475.db2.gz WDDDCYPJKQWVLT-WCQYABFASA-N 0 0 205.301 2.493 10 0 BEAERN CCNCC(F)(F)CN(C)Cc1ccccc1 ZINC000685956434 538903085 /nfs/dbraw/zinc/90/30/85/538903085.db2.gz DNELHOQDSQOWJW-UHFFFAOYSA-N 0 0 242.313 2.363 10 0 BEAERN CCC(CC)COCC(F)(F)CNC ZINC000685956493 538903128 /nfs/dbraw/zinc/90/31/28/538903128.db2.gz DWBSEDAXFDBRRU-UHFFFAOYSA-N 0 0 209.280 2.294 10 0 BEAERN CNCC(F)(F)CO[C@@H](C)CC(C)C ZINC000685957407 538904110 /nfs/dbraw/zinc/90/41/10/538904110.db2.gz XTZZRDNLPGFEIS-VIFPVBQESA-N 0 0 209.280 2.292 10 0 BEAERN CCCCCCOCC(F)(F)CNC ZINC000685957478 538904418 /nfs/dbraw/zinc/90/44/18/538904418.db2.gz YWZNVMISCLQETH-UHFFFAOYSA-N 0 0 209.280 2.438 10 0 BEAERN O=C1c2cc(F)ccc2CN1C1CCC1 ZINC000685958343 538905943 /nfs/dbraw/zinc/90/59/43/538905943.db2.gz KRORCAOAOMWOLK-UHFFFAOYSA-N 0 0 205.232 2.334 10 0 BEAERN CCC(C)(CC)NC(=O)c1cnn(C)c1C ZINC000112828340 168310827 /nfs/dbraw/zinc/31/08/27/168310827.db2.gz KDCRROZTYHYQLI-UHFFFAOYSA-N 0 0 223.320 2.037 10 0 BEAERN O=C1C[C@@]2(CCCOC2)C2(CCCCC2)N1 ZINC000685958701 538906339 /nfs/dbraw/zinc/90/63/39/538906339.db2.gz DZJJWPPUXRMORT-GFCCVEGCSA-N 0 0 223.316 2.006 10 0 BEAERN CC(C)(C)C[C@@H]1CC(=O)NC12CCOCC2 ZINC000685958726 538906391 /nfs/dbraw/zinc/90/63/91/538906391.db2.gz FLQXSZZEIPSOOX-JTQLQIEISA-N 0 0 225.332 2.108 10 0 BEAERN C[C@@H]1C[C@]2(CO1)CC(=O)NC21CCCCC1 ZINC000685958913 538906481 /nfs/dbraw/zinc/90/64/81/538906481.db2.gz IDCGORIZFDSFSQ-ZYHUDNBSSA-N 0 0 223.316 2.004 10 0 BEAERN C[C@@H]1OCC[C@]12CC(=O)NC21CCCCC1 ZINC000685958916 538906490 /nfs/dbraw/zinc/90/64/90/538906490.db2.gz IDTDBYXINSLRCT-JQWIXIFHSA-N 0 0 223.316 2.004 10 0 BEAERN CCC1(CC)[C@H](C)C(=O)NC12CCOCC2 ZINC000685959897 538907020 /nfs/dbraw/zinc/90/70/20/538907020.db2.gz UYDPMOFFVOTOFY-SNVBAGLBSA-N 0 0 225.332 2.108 10 0 BEAERN CCCC[C@@]1(C)CC(=O)NC12CCOCC2 ZINC000685960080 538907088 /nfs/dbraw/zinc/90/70/88/538907088.db2.gz YYTFOOLCZAMMQF-LBPRGKRZSA-N 0 0 225.332 2.252 10 0 BEAERN CO[C@H]1CC[C@]12CC(=O)NC21CCCCC1 ZINC000685959993 538907283 /nfs/dbraw/zinc/90/72/83/538907283.db2.gz XDAHLWMQVLKYPA-JQWIXIFHSA-N 0 0 223.316 2.004 10 0 BEAERN CCCCC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961144 538908138 /nfs/dbraw/zinc/90/81/38/538908138.db2.gz CEGFIUUZEOVKAQ-CQSZACIVSA-N 0 0 248.370 2.205 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@@H](C(F)(F)F)N2 ZINC000685963000 538909575 /nfs/dbraw/zinc/90/95/75/538909575.db2.gz CWNCQUUVODCCFR-UWVGGRQHSA-N 0 0 231.217 2.255 10 0 BEAERN CCC[C@H]1Nc2c(C)cccc2C[C@@H]1O ZINC000685962949 538909735 /nfs/dbraw/zinc/90/97/35/538909735.db2.gz BJPYHBQNKYSLFZ-NEPJUHHUSA-N 0 0 205.301 2.493 10 0 BEAERN O[C@@H]1Cc2ccccc2N[C@H]1CC1CC1 ZINC000685963044 538909780 /nfs/dbraw/zinc/90/97/80/538909780.db2.gz FLSLKYOLWUCKLO-QWHCGFSZSA-N 0 0 203.285 2.184 10 0 BEAERN CC(C)(C)[C@@H]1Nc2ccc(N)cc2C[C@@H]1O ZINC000685963507 538910303 /nfs/dbraw/zinc/91/03/03/538910303.db2.gz QSXQWTJVXWMOCP-NWDGAFQWSA-N 0 0 220.316 2.012 10 0 BEAERN C[C@@H]1CCc2[nH]nc(Br)c2C1 ZINC000685952221 538896530 /nfs/dbraw/zinc/89/65/30/538896530.db2.gz AYUMLRYYDHLMRS-RXMQYKEDSA-N 0 0 215.094 2.297 10 0 BEAERN CC[C@H](C)c1n[nH]nc1C(=O)OC(C)(C)C ZINC000685953048 538896777 /nfs/dbraw/zinc/89/67/77/538896777.db2.gz IXSXQMJKGKRNJY-ZETCQYMHSA-N 0 0 225.292 2.274 10 0 BEAERN CC[C@@H](CC(C)C)c1n[nH]nc1C(=O)OC ZINC000685953094 538896956 /nfs/dbraw/zinc/89/69/56/538896956.db2.gz FWHDGXPNQLRQNU-QMMMGPOBSA-N 0 0 225.292 2.131 10 0 BEAERN CCC[C@H]1Nc2ccc(C)cc2C[C@@H]1O ZINC000685963829 538910737 /nfs/dbraw/zinc/91/07/37/538910737.db2.gz XWYFDENCGKLMBO-OLZOCXBDSA-N 0 0 205.301 2.493 10 0 BEAERN C[C@@H](n1cc([O-])c([C@H](C)[NH3+])n1)C(C)(C)C ZINC000685965759 538912511 /nfs/dbraw/zinc/91/25/11/538912511.db2.gz RTZXVTYLADVJHG-JGVFFNPUSA-N 0 0 211.309 2.216 10 0 BEAERN Cc1ccc2c(c1)C[C@@H](O)[C@H](CC1CC1)N2 ZINC000685963432 538912986 /nfs/dbraw/zinc/91/29/86/538912986.db2.gz OGIIEEKJNDTOKP-UONOGXRCSA-N 0 0 217.312 2.493 10 0 BEAERN Cc1cc(C)nc(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000035216624 177946620 /nfs/dbraw/zinc/94/66/20/177946620.db2.gz YPENGMHRMKPHEB-MNOVXSKESA-N 0 0 221.304 2.073 10 0 BEAERN O[C@@H]1CC=C(c2cc3cccnc3[nH]2)CC1 ZINC000230454502 398141687 /nfs/dbraw/zinc/14/16/87/398141687.db2.gz AGTHEHVVDVZQJN-LLVKDONJSA-N 0 0 214.268 2.491 10 0 BEAERN O=C(S[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000004683776 398142152 /nfs/dbraw/zinc/14/21/52/398142152.db2.gz WVNJNUZWWBOEAA-GHMZBOCLSA-N 0 0 222.309 2.473 10 0 BEAERN NC(=O)N1CC[C@H](c2cccc3cccnc32)C1 ZINC000616611772 349467242 /nfs/dbraw/zinc/46/72/42/349467242.db2.gz SDVDNRNMHHPTTR-NSHDSACASA-N 0 0 241.294 2.103 10 0 BEAERN NC(=O)N1CC[C@H](c2ccc3cnccc3c2)C1 ZINC000616612088 349485369 /nfs/dbraw/zinc/48/53/69/349485369.db2.gz ZGSMHMUHONWHHQ-ZDUSSCGKSA-N 0 0 241.294 2.103 10 0 BEAERN C=CC(=O)N1CCCc2cccc(C)c21 ZINC000036334558 343979012 /nfs/dbraw/zinc/97/90/12/343979012.db2.gz IKHWTWWYHZCSCW-UHFFFAOYSA-N 0 0 201.269 2.460 10 0 BEAERN CCCC[C@@H](COC)NC(=O)CCCSC ZINC000128551881 349481418 /nfs/dbraw/zinc/48/14/18/349481418.db2.gz JJCHIWNNVUPVLD-NSHDSACASA-N 0 0 247.404 2.451 10 0 BEAERN CCC(CC)(Nc1ccc(OC)cc1)C(N)=O ZINC000037941500 168332761 /nfs/dbraw/zinc/33/27/61/168332761.db2.gz JVJBNKOLVJMDHV-UHFFFAOYSA-N 0 0 236.315 2.151 10 0 BEAERN Cc1ccc(C)c(C(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000269084192 398174791 /nfs/dbraw/zinc/17/47/91/398174791.db2.gz XCKMNDDKMYGUMR-CYBMUJFWSA-N 0 0 249.354 2.440 10 0 BEAERN Cc1cc(CNc2cccc(N)c2)on1 ZINC000044988434 178043502 /nfs/dbraw/zinc/04/35/02/178043502.db2.gz JYBJJFQACITYRZ-UHFFFAOYSA-N 0 0 203.245 2.177 10 0 BEAERN Cc1cc(CNc2ccc(N)cc2C)on1 ZINC000044988232 178043516 /nfs/dbraw/zinc/04/35/16/178043516.db2.gz TXAQNLPZSKDSDQ-UHFFFAOYSA-N 0 0 217.272 2.486 10 0 BEAERN Cc1cc(CNc2cn[nH]c2)cc(C)c1O ZINC000035763595 178044009 /nfs/dbraw/zinc/04/40/09/178044009.db2.gz SKTSDINXYFPDNB-UHFFFAOYSA-N 0 0 217.272 2.344 10 0 BEAERN Cc1cc(CNc2ccccc2N)on1 ZINC000044988407 178044248 /nfs/dbraw/zinc/04/42/48/178044248.db2.gz UQQSXYSUSVMSGZ-UHFFFAOYSA-N 0 0 203.245 2.177 10 0 BEAERN Cc1cc(CSc2ccc(N)cn2)on1 ZINC000037191762 178053173 /nfs/dbraw/zinc/05/31/73/178053173.db2.gz RRLPXXACVFEBMA-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(CSc2ccc(N)nc2)no1 ZINC000037192598 178053447 /nfs/dbraw/zinc/05/34/47/178053447.db2.gz HFERJOVWOMFTEB-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(CSc2ccc(N)nc2)on1 ZINC000037192586 178053581 /nfs/dbraw/zinc/05/35/81/178053581.db2.gz BKAXLUFKCNOJLW-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN Cc1cc(Cl)n2ncc(Br)c2n1 ZINC000039200790 178071940 /nfs/dbraw/zinc/07/19/40/178071940.db2.gz UWDQBDDYGGYXPJ-UHFFFAOYSA-N 0 0 246.495 2.454 10 0 BEAERN COc1cccc(N2CCC[C@@H](C(C)=O)C2=O)c1 ZINC000536959998 398199274 /nfs/dbraw/zinc/19/92/74/398199274.db2.gz NHVCIBSNFLQWIC-ZDUSSCGKSA-N 0 0 247.294 2.027 10 0 BEAERN Cc1cc(F)cc2c3noc(N)c3cnc12 ZINC000072237071 178080088 /nfs/dbraw/zinc/08/00/88/178080088.db2.gz ZVVMFQLHTONJJF-UHFFFAOYSA-N 0 0 217.203 2.406 10 0 BEAERN COc1cccc(N2CCC[C@H](C(C)=O)C2=O)c1 ZINC000536959996 398199438 /nfs/dbraw/zinc/19/94/38/398199438.db2.gz NHVCIBSNFLQWIC-CYBMUJFWSA-N 0 0 247.294 2.027 10 0 BEAERN Cc1cc(F)ccc1NCC(=O)NC(C)(C)C ZINC000020054499 178090087 /nfs/dbraw/zinc/09/00/87/178090087.db2.gz OVLVSXDNUCVBMV-UHFFFAOYSA-N 0 0 238.306 2.461 10 0 BEAERN Cc1cc(F)ccc1N[C@H](C)C(=O)NC1CC1 ZINC000020301542 178090867 /nfs/dbraw/zinc/09/08/67/178090867.db2.gz CUOTXCIOEIDAHB-SECBINFHSA-N 0 0 236.290 2.213 10 0 BEAERN CCCc1nc(CN[C@H](C)COC)cs1 ZINC000380293744 398193851 /nfs/dbraw/zinc/19/38/51/398193851.db2.gz CEECHJKJSPUQGX-SECBINFHSA-N 0 0 228.361 2.220 10 0 BEAERN CCCc1nc(CN[C@@H](C)COC)cs1 ZINC000380293745 398193949 /nfs/dbraw/zinc/19/39/49/398193949.db2.gz CEECHJKJSPUQGX-VIFPVBQESA-N 0 0 228.361 2.220 10 0 BEAERN C[C@@H]1C[C@H](n2cc[nH]c2=S)CS1 ZINC000306780234 398194974 /nfs/dbraw/zinc/19/49/74/398194974.db2.gz PPEMJZZLZYTWEX-RQJHMYQMSA-N 0 0 200.332 2.238 10 0 BEAERN Cc1cc(N(CCO)C2CCCCC2)nc(C)n1 ZINC000042525801 178101883 /nfs/dbraw/zinc/10/18/83/178101883.db2.gz VMEZATRYISPOHS-UHFFFAOYSA-N 0 0 249.358 2.225 10 0 BEAERN CCC[C@H](CN[C@H](C)c1ncc(C)o1)OC ZINC000386014312 398195307 /nfs/dbraw/zinc/19/53/07/398195307.db2.gz NGVJGWDMUHWCIV-GHMZBOCLSA-N 0 0 226.320 2.449 10 0 BEAERN Cc1cc(N)ccc1C(=O)N1CCC[C@@H]1C ZINC000044748511 178105041 /nfs/dbraw/zinc/10/50/41/178105041.db2.gz SOAZKZXIABTNEQ-JTQLQIEISA-N 0 0 218.300 2.202 10 0 BEAERN Cc1cc(N)ccc1C(=O)NCCC(F)(F)F ZINC000063098629 178105274 /nfs/dbraw/zinc/10/52/74/178105274.db2.gz YBDOGKOSYQEQPR-UHFFFAOYSA-N 0 0 246.232 2.259 10 0 BEAERN Cc1cc(N)ccc1NC(=O)COC1CCCC1 ZINC000022209545 178105453 /nfs/dbraw/zinc/10/54/53/178105453.db2.gz BXIKVZDQYTZHEJ-UHFFFAOYSA-N 0 0 248.326 2.475 10 0 BEAERN Cc1cc(N)ccc1C(=O)N[C@@H]1CC1(C)C ZINC000045115195 178105749 /nfs/dbraw/zinc/10/57/49/178105749.db2.gz WRXCBGDNQQIOPI-LLVKDONJSA-N 0 0 218.300 2.106 10 0 BEAERN Cc1cc(N)ccc1SC[C@@H]1CCOCO1 ZINC000037193403 178106956 /nfs/dbraw/zinc/10/69/56/178106956.db2.gz UEHOTSTWAOVRHN-NSHDSACASA-N 0 0 239.340 2.432 10 0 BEAERN Cc1cc(N)ccc1NC[C@@H]1CCCO1 ZINC000034978368 178107255 /nfs/dbraw/zinc/10/72/55/178107255.db2.gz TUGDXFWARZKVGS-NSHDSACASA-N 0 0 206.289 2.168 10 0 BEAERN Cc1cc(N)ccc1Oc1cccnn1 ZINC000039118780 178107694 /nfs/dbraw/zinc/10/76/94/178107694.db2.gz HIPWONLNEDIBDA-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1nn(-c2ncc(N)cc2C)c(C)c1Cl ZINC000052813599 178108126 /nfs/dbraw/zinc/10/81/26/178108126.db2.gz YWTDPXIRCWTJGL-UHFFFAOYSA-N 0 0 236.706 2.428 10 0 BEAERN Cc1cc(N)cnc1SC1CCOCC1 ZINC000062053844 178108359 /nfs/dbraw/zinc/10/83/59/178108359.db2.gz UKLBREDKNQDMHU-UHFFFAOYSA-N 0 0 224.329 2.243 10 0 BEAERN Cc1cc(N2C[C@@H]3CCC[C@H]32)nc(C)n1 ZINC000335792979 178121449 /nfs/dbraw/zinc/12/14/49/178121449.db2.gz GVVZPSTYSZNLIN-WDEREUQCSA-N 0 0 203.289 2.082 10 0 BEAERN Cc1cc(NC(=O)C(C)(C)C)c(C=O)c(C)n1 ZINC000299889166 178124010 /nfs/dbraw/zinc/12/40/10/178124010.db2.gz FIWFTUNEBOVMEP-UHFFFAOYSA-N 0 0 234.299 2.496 10 0 BEAERN Cc1cc(NC(=O)CC(C)(C)C)ncc1N ZINC000041040590 178126324 /nfs/dbraw/zinc/12/63/24/178126324.db2.gz YZHPBHUNAJSVAN-UHFFFAOYSA-N 0 0 221.304 2.347 10 0 BEAERN CCC(CC)C(=O)Nc1ccc(N)cc1O ZINC000021005425 168341641 /nfs/dbraw/zinc/34/16/41/168341641.db2.gz RMYROKNVSAFRMT-UHFFFAOYSA-N 0 0 222.288 2.349 10 0 BEAERN Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)ccc1O ZINC000189668331 178147390 /nfs/dbraw/zinc/14/73/90/178147390.db2.gz NNKDNLYMVSBPEN-PWSUYJOCSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(NC2CCC(O)CC2)ccc1N ZINC000035277648 178154869 /nfs/dbraw/zinc/15/48/69/178154869.db2.gz CSGNSSHTDHNALR-UHFFFAOYSA-N 0 0 220.316 2.293 10 0 BEAERN CCC[N@H+](C)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163628116 538929625 /nfs/dbraw/zinc/92/96/25/538929625.db2.gz GLJYYCBDYKKIJK-UHFFFAOYSA-N 0 0 225.263 2.366 10 0 BEAERN Cc1cc(NC[C@H]2CCCC[C@H]2O)nc(C)n1 ZINC000086015663 178168191 /nfs/dbraw/zinc/16/81/91/178168191.db2.gz NVUAGSUERPTWGZ-VXGBXAGGSA-N 0 0 235.331 2.056 10 0 BEAERN Cc1cc(N[C@H]2CCC(=O)NC23CCC3)ncn1 ZINC000328738771 178188446 /nfs/dbraw/zinc/18/84/46/178188446.db2.gz KXJDJFBUMJQPFX-JTQLQIEISA-N 0 0 246.314 2.239 10 0 BEAERN CN(Cc1cscn1)C[C@H]1CCC[C@H](O)C1 ZINC000381116512 398221174 /nfs/dbraw/zinc/22/11/74/398221174.db2.gz HINIRJZINHGIKE-JQWIXIFHSA-N 0 0 240.372 2.126 10 0 BEAERN Cc1cc(N[C@@H](C)COCC(C)C)ncn1 ZINC000301241530 178178248 /nfs/dbraw/zinc/17/82/48/178178248.db2.gz ODLFTXLTBYILCT-NSHDSACASA-N 0 0 223.320 2.258 10 0 BEAERN Cc1cc(N[C@H]2CCCC[C@H]2O)ccc1N ZINC000051999058 178188824 /nfs/dbraw/zinc/18/88/24/178188824.db2.gz IJKKSQDGKCIPNQ-QWHCGFSZSA-N 0 0 220.316 2.293 10 0 BEAERN Cc1cc(N[C@@H](C)[C@@H]2CCCO2)nc(C)n1 ZINC000037500231 178179122 /nfs/dbraw/zinc/17/91/22/178179122.db2.gz NRDJBUNHBFEILD-ONGXEEELSA-N 0 0 221.304 2.073 10 0 BEAERN COC(=O)C(Cl)=NNc1cccc(C)c1C ZINC000256950851 343986585 /nfs/dbraw/zinc/98/65/85/343986585.db2.gz XRPAMCIDDDDDJG-UHFFFAOYSA-N 0 0 240.690 2.441 10 0 BEAERN Cc1cc(N[C@H](C)c2ccncc2)ncn1 ZINC000040727177 178186840 /nfs/dbraw/zinc/18/68/40/178186840.db2.gz XIFMVQOLLPRIKD-SNVBAGLBSA-N 0 0 214.272 2.353 10 0 BEAERN COc1c(N)cnc2cc(Cl)ccc21 ZINC000075617010 398224333 /nfs/dbraw/zinc/22/43/33/398224333.db2.gz YVBSQWDGLKPSAQ-UHFFFAOYSA-N 0 0 208.648 2.479 10 0 BEAERN Cn1ncc(N)c1-c1ccc(Cl)cc1 ZINC000020267364 538930969 /nfs/dbraw/zinc/93/09/69/538930969.db2.gz MVWMUXRTSFQZGB-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN Cc1cc(N[C@H]2C[C@@H]2C)nc(C2CC2)n1 ZINC000265322631 178191913 /nfs/dbraw/zinc/19/19/13/178191913.db2.gz FGAZIWYHKHIWIX-XVKPBYJWSA-N 0 0 203.289 2.483 10 0 BEAERN Cc1cc(Nc2ccccc2N)cc(=O)n1C ZINC000020272899 178193497 /nfs/dbraw/zinc/19/34/97/178193497.db2.gz WLIGGAQQPXBXJT-UHFFFAOYSA-N 0 0 229.283 2.020 10 0 BEAERN Cc1cc(Nc2cccc(N)c2)nc(C)n1 ZINC000037756803 178194021 /nfs/dbraw/zinc/19/40/21/178194021.db2.gz FXPPLJSCFTUSQC-UHFFFAOYSA-N 0 0 214.272 2.419 10 0 BEAERN CSC[C@H](O)c1cccc2c1OCC2 ZINC000132470112 343988603 /nfs/dbraw/zinc/98/86/03/343988603.db2.gz YNLNQJIEIHAWLY-JTQLQIEISA-N 0 0 210.298 2.018 10 0 BEAERN Cc1cc(Oc2ccc(N)cc2F)ncn1 ZINC000040727484 178214784 /nfs/dbraw/zinc/21/47/84/178214784.db2.gz NUNBKEWNEULEQT-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1cc(OC(C)C)nc(NC2CC2)n1 ZINC000058825827 178207717 /nfs/dbraw/zinc/20/77/17/178207717.db2.gz WELRFPJRYFLLIZ-UHFFFAOYSA-N 0 0 207.277 2.147 10 0 BEAERN Cc1cc(Oc2cc(F)ccc2N)ncn1 ZINC000040727474 178214897 /nfs/dbraw/zinc/21/48/97/178214897.db2.gz XPQGFUUVPKBBGJ-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1cc(O[C@H](C)CO)ccc1Cl ZINC000041210505 178214162 /nfs/dbraw/zinc/21/41/62/178214162.db2.gz ZRFAXBNBFYSZKR-MRVPVSSYSA-N 0 0 200.665 2.408 10 0 BEAERN Cc1cc(Sc2ncccc2N)nc(C)n1 ZINC000042143601 178219814 /nfs/dbraw/zinc/21/98/14/178219814.db2.gz WICSUQYMEGMVQR-UHFFFAOYSA-N 0 0 232.312 2.222 10 0 BEAERN C[C@@H]1CCC[C@@H]1NC1N=NC(=S)S1 ZINC000070833340 361778376 /nfs/dbraw/zinc/77/83/76/361778376.db2.gz HNGZTDDRSZZEQI-RITPCOANSA-N 0 0 215.347 2.427 10 0 BEAERN C[C@H]1CCC[C@H]1NC1N=NC(=S)S1 ZINC000070833349 361778389 /nfs/dbraw/zinc/77/83/89/361778389.db2.gz HNGZTDDRSZZEQI-NTSWFWBYSA-N 0 0 215.347 2.427 10 0 BEAERN CCN(CC)Cc1nc2c(c(Cl)n1)CCC2 ZINC000382220395 361799282 /nfs/dbraw/zinc/79/92/82/361799282.db2.gz MWXHWIICUXNIQQ-UHFFFAOYSA-N 0 0 239.750 2.461 10 0 BEAERN Cc1cc([C@@H]2C[C@H](O)CCO2)ccc1F ZINC000069850723 178242640 /nfs/dbraw/zinc/24/26/40/178242640.db2.gz GGMGSMKRDHRXES-PWSUYJOCSA-N 0 0 210.248 2.347 10 0 BEAERN C[C@H]1CSC[C@@]1(O)c1ccc(F)cc1 ZINC000306738136 488175682 /nfs/dbraw/zinc/17/56/82/488175682.db2.gz AGEYAVXNDVKWPU-KWQFWETISA-N 0 0 212.289 2.396 10 0 BEAERN Cc1cc([C@H]2CC[C@H](C(=O)[O-])[NH2+]2)ccc1F ZINC000083041372 178268576 /nfs/dbraw/zinc/26/85/76/178268576.db2.gz JLZSWSGNKFRYFD-GHMZBOCLSA-N 0 0 223.247 2.012 10 0 BEAERN Cc1cc([C@H]2NC(=O)[C@H]3CCCCN32)ccc1F ZINC000078758836 178268702 /nfs/dbraw/zinc/26/87/02/178268702.db2.gz SFIBQNFYUCJNRB-OLZOCXBDSA-N 0 0 248.301 2.117 10 0 BEAERN Cc1cc2c(ncnc2C(=O)OC(C)(C)C)[nH]1 ZINC000097758744 178278357 /nfs/dbraw/zinc/27/83/57/178278357.db2.gz GKZIFFXFVXHJQI-UHFFFAOYSA-N 0 0 233.271 2.222 10 0 BEAERN Cc1ccc(C)c2[nH]c(=NN)c(C)cc12 ZINC000011995132 178278821 /nfs/dbraw/zinc/27/88/21/178278821.db2.gz BJSFPFLEXQREBD-UHFFFAOYSA-N 0 0 201.273 2.446 10 0 BEAERN Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1C[C@@H]1C)CO2 ZINC000184848406 178287171 /nfs/dbraw/zinc/28/71/71/178287171.db2.gz XSJGNANLNJGHMY-CYZMBNFOSA-N 0 0 245.322 2.304 10 0 BEAERN CC[C@@H](C(=O)C(F)F)C(=O)C1CCC1 ZINC000322896906 538939882 /nfs/dbraw/zinc/93/98/82/538939882.db2.gz FMIQAISFADQQLJ-SSDOTTSWSA-N 0 0 204.216 2.216 10 0 BEAERN Cc1cc2ccccc2n1CC(=O)N[C@@H]1C[C@@H]1C ZINC000068150148 178297120 /nfs/dbraw/zinc/29/71/20/178297120.db2.gz ISAIGCFHFUQSSK-GXFFZTMASA-N 0 0 242.322 2.474 10 0 BEAERN Cc1cc(C)cc([C@@](C)(O)c2ncc[nH]2)c1 ZINC000114416255 343994910 /nfs/dbraw/zinc/99/49/10/343994910.db2.gz GFNJDTOGYHKLPL-CYBMUJFWSA-N 0 0 216.284 2.282 10 0 BEAERN Cc1cc2nc(-c3ccccc3)cc(N)n2n1 ZINC000036138879 178300150 /nfs/dbraw/zinc/30/01/50/178300150.db2.gz OQFMDNQUPJYDSH-UHFFFAOYSA-N 0 0 224.267 2.287 10 0 BEAERN Cc1ccc(-c2c(N)cccc2O)nc1 ZINC000095922498 178317755 /nfs/dbraw/zinc/31/77/55/178317755.db2.gz PVIHWXHEYCCSKP-UHFFFAOYSA-N 0 0 200.241 2.345 10 0 BEAERN Cc1ccc(-c2nc(C)c(C)c(N)n2)o1 ZINC000050867429 178333191 /nfs/dbraw/zinc/33/31/91/178333191.db2.gz QUJZKWAMZSXPPP-UHFFFAOYSA-N 0 0 203.245 2.244 10 0 BEAERN Cc1ccc(-c2nc(N)cc(Cl)n2)o1 ZINC000095935951 178335627 /nfs/dbraw/zinc/33/56/27/178335627.db2.gz LAHHYGAEOFQMTQ-UHFFFAOYSA-N 0 0 209.636 2.281 10 0 BEAERN Cc1ccc(-c2nnnn2C2CCCC2)cc1N ZINC000042016079 178342822 /nfs/dbraw/zinc/34/28/22/178342822.db2.gz WJTXLBYURIRLHD-UHFFFAOYSA-N 0 0 243.314 2.346 10 0 BEAERN Cc1ccc(-n2c3ncccc3[nH]c2=O)cc1C ZINC000169316556 178345003 /nfs/dbraw/zinc/34/50/03/178345003.db2.gz JEWOHBNBZVPWCW-UHFFFAOYSA-N 0 0 239.278 2.331 10 0 BEAERN Cc1ncn(-c2ccc(C)cc2N)c1C ZINC000051925499 178347230 /nfs/dbraw/zinc/34/72/30/178347230.db2.gz HKRRBUAWFOJFOY-UHFFFAOYSA-N 0 0 201.273 2.380 10 0 BEAERN Cc1ccc(-c2n[nH]c3c2[C@@H](O)CC3)cc1 ZINC000072415282 178332082 /nfs/dbraw/zinc/33/20/82/178332082.db2.gz QPXGCRZDDGBTBD-NSHDSACASA-N 0 0 214.268 2.365 10 0 BEAERN Cc1ccc(C(=O)Cc2ccccn2)o1 ZINC000034940314 178374728 /nfs/dbraw/zinc/37/47/28/178374728.db2.gz DUEQCNXTMKYBPF-UHFFFAOYSA-N 0 0 201.225 2.408 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H]2C)cc1O ZINC000104423964 178377896 /nfs/dbraw/zinc/37/78/96/178377896.db2.gz HMHIMZSXGJREBU-PWSUYJOCSA-N 0 0 233.311 2.429 10 0 BEAERN Cc1ccc(C(=O)N(C)C[C@@H]2C[C@@H]2C)cc1N ZINC000104425093 178378641 /nfs/dbraw/zinc/37/86/41/178378641.db2.gz DXECKMPNFXRUNB-JQWIXIFHSA-N 0 0 232.327 2.305 10 0 BEAERN Cc1ccc(C(=O)N2CCCO2)cc1C ZINC000125398927 178387588 /nfs/dbraw/zinc/38/75/88/178387588.db2.gz UEKVTULVZZNYDG-UHFFFAOYSA-N 0 0 205.257 2.081 10 0 BEAERN CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000204154387 538952797 /nfs/dbraw/zinc/95/27/97/538952797.db2.gz HREZTDIFTLSAQP-PSASIEDQSA-N 0 0 227.304 2.078 10 0 BEAERN COc1cc(OC)c(SC)cc1OC ZINC000259113299 349560607 /nfs/dbraw/zinc/56/06/07/349560607.db2.gz FXUKIPYCEPNZBY-UHFFFAOYSA-N 0 0 214.286 2.434 10 0 BEAERN Cc1ccc(C(=O)CN2CCO[C@H](C)C2)c(C)c1 ZINC000037332699 178373857 /nfs/dbraw/zinc/37/38/57/178373857.db2.gz SZLJOOSANHNFIO-CYBMUJFWSA-N 0 0 247.338 2.207 10 0 BEAERN Cc1ccc(C(=O)N2CC[C@@H](CCO)C2)c(C)c1 ZINC000122988473 178395930 /nfs/dbraw/zinc/39/59/30/178395930.db2.gz JQCRNUNBALFMTG-ZDUSSCGKSA-N 0 0 247.338 2.148 10 0 BEAERN CCC(CC)[N@H+](CCOC)[C@H](C(=O)[O-])C(C)C ZINC000042680287 168375448 /nfs/dbraw/zinc/37/54/48/168375448.db2.gz VUADBDGOSKWOGE-LBPRGKRZSA-N 0 0 245.363 2.233 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000179246142 538955162 /nfs/dbraw/zinc/95/51/62/538955162.db2.gz YJWRXYLBSNWICX-KBPBESRZSA-N 0 0 247.338 2.276 10 0 BEAERN CC(C)C[C@H](C)n1c(N)n[nH]c1=S ZINC000070881534 361833879 /nfs/dbraw/zinc/83/38/79/361833879.db2.gz SQHVHOJWPZKLAS-LURJTMIESA-N 0 0 200.311 2.130 10 0 BEAERN C[C@@H]1CCC[C@@H](n2c(N)n[nH]c2=S)C1 ZINC000070881505 361834075 /nfs/dbraw/zinc/83/40/75/361834075.db2.gz FHWDJZWVPZWZAU-RNFRBKRXSA-N 0 0 212.322 2.274 10 0 BEAERN CSC1(Cn2ncc(Cl)c2N)CCC1 ZINC000306644767 361835504 /nfs/dbraw/zinc/83/55/04/361835504.db2.gz CQIMSMKJCWFZCQ-UHFFFAOYSA-N 0 0 231.752 2.404 10 0 BEAERN CCC(CC)NC(=O)N1CCC(COC)CC1 ZINC000112431112 168378602 /nfs/dbraw/zinc/37/86/02/168378602.db2.gz JYBZKXCHICWQTK-UHFFFAOYSA-N 0 0 242.363 2.243 10 0 BEAERN c1ccc2c(c1)[nH]c1c2CCC2(C1)OCCO2 ZINC000143917396 342689448 /nfs/dbraw/zinc/68/94/48/342689448.db2.gz ROKIIXRRRWSQCQ-UHFFFAOYSA-N 0 0 229.279 2.400 10 0 BEAERN CC(=O)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406056957 538963084 /nfs/dbraw/zinc/96/30/84/538963084.db2.gz YJTLWHISVMGDIT-VHSXEESVSA-N 0 0 225.288 2.045 10 0 BEAERN COCCCCc1cc(C=O)ccc1OC ZINC000144014927 342694373 /nfs/dbraw/zinc/69/43/73/342694373.db2.gz TTYYPYISIMGOPP-UHFFFAOYSA-N 0 0 222.284 2.477 10 0 BEAERN CCC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405877856 538961358 /nfs/dbraw/zinc/96/13/58/538961358.db2.gz WIPLLVZOQSEEMQ-UHFFFAOYSA-N 0 0 227.304 2.413 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181946242 538961488 /nfs/dbraw/zinc/96/14/88/538961488.db2.gz SQUICFVWMXPAAK-CPCISQLKSA-N 0 0 232.258 2.445 10 0 BEAERN Nc1nc(Cl)cc(CCc2ccccc2)n1 ZINC000001686830 342709147 /nfs/dbraw/zinc/70/91/47/342709147.db2.gz VTRVFUAODRFOMM-UHFFFAOYSA-N 0 0 233.702 2.497 10 0 BEAERN O=C(CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000001693005 342709456 /nfs/dbraw/zinc/70/94/56/342709456.db2.gz IUFSJZOWNJNCTF-UHFFFAOYSA-N 0 0 247.338 2.106 10 0 BEAERN c1nc(CN[C@@H]2CCOc3ccccc32)co1 ZINC000182064152 538961720 /nfs/dbraw/zinc/96/17/20/538961720.db2.gz RGRMDLKHIBLOFK-GFCCVEGCSA-N 0 0 230.267 2.288 10 0 BEAERN O=C(c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000002003004 342714225 /nfs/dbraw/zinc/71/42/25/342714225.db2.gz FNIQWNQNMXTVJJ-UHFFFAOYSA-N 0 0 239.230 2.352 10 0 BEAERN CC(=O)c1ccc(OCCO)c2ccccc12 ZINC000002036807 342714874 /nfs/dbraw/zinc/71/48/74/342714874.db2.gz QHVYMDPABLEVKQ-UHFFFAOYSA-N 0 0 230.263 2.414 10 0 BEAERN O=Cc1cc(C2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000144457130 342741427 /nfs/dbraw/zinc/74/14/27/342741427.db2.gz CXOGBNIGEOPVSE-UHFFFAOYSA-N 0 0 236.183 2.193 10 0 BEAERN CCOc1cc([C@H](O)c2ccccn2)ccc1O ZINC000144474533 342743185 /nfs/dbraw/zinc/74/31/85/342743185.db2.gz KDADFIOXVUBMND-AWEZNQCLSA-N 0 0 245.278 2.268 10 0 BEAERN C[C@@H]1C[C@H](C(=O)NC2(CO)CC2)CC(C)(C)C1 ZINC000182898785 538964540 /nfs/dbraw/zinc/96/45/40/538964540.db2.gz FQKUQSQSBRZJGL-MNOVXSKESA-N 0 0 239.359 2.090 10 0 BEAERN Nc1nnc(Nc2ccccc2Cl)o1 ZINC000216007720 342729104 /nfs/dbraw/zinc/72/91/04/342729104.db2.gz HYCMENSYYQLYRF-UHFFFAOYSA-N 0 0 210.624 2.049 10 0 BEAERN NNc1ccc(C(F)(F)F)c(C(F)(F)F)n1 ZINC000091252253 398280382 /nfs/dbraw/zinc/28/03/82/398280382.db2.gz UDNQNYWFUKOAKZ-UHFFFAOYSA-N 0 0 245.126 2.405 10 0 BEAERN CN(C)c1cccc(-c2noc3c2CCN3)c1 ZINC000003704149 342736656 /nfs/dbraw/zinc/73/66/56/342736656.db2.gz XVKHDAVFQYDSMQ-UHFFFAOYSA-N 0 0 229.283 2.376 10 0 BEAERN CCC[C@@H]1CCCCN1C(=O)[C@H](C)COC ZINC000183067778 538965669 /nfs/dbraw/zinc/96/56/69/538965669.db2.gz SYAYIEBRGGSXCI-VXGBXAGGSA-N 0 0 227.348 2.450 10 0 BEAERN Cc1nc(-c2ccccc2O)n(O)c1C ZINC000006694195 342737175 /nfs/dbraw/zinc/73/71/75/342737175.db2.gz SXFYTSNZHJFBRU-UHFFFAOYSA-N 0 0 204.229 2.110 10 0 BEAERN COC(=O)CC[C@H]1COc2ccc(OC)cc21 ZINC000144822721 342752759 /nfs/dbraw/zinc/75/27/59/342752759.db2.gz MHVAERHNGBZHSG-VIFPVBQESA-N 0 0 236.267 2.124 10 0 BEAERN C[C@@H](Nc1ncccc1N)c1cccnc1 ZINC000035692050 342755558 /nfs/dbraw/zinc/75/55/58/342755558.db2.gz UCSRTPDYKGWKCM-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](Nc1ncccc1N)c1ccncc1 ZINC000035693233 342755705 /nfs/dbraw/zinc/75/57/05/342755705.db2.gz TWCYUEGNTARFIB-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@H](Nc1ccc(N)cn1)c1cccnc1 ZINC000035692057 342755720 /nfs/dbraw/zinc/75/57/20/342755720.db2.gz NRJMBVQSGZOUIE-VIFPVBQESA-N 0 0 214.272 2.232 10 0 BEAERN OCc1cccc(CCO[C@H]2CCCCO2)c1 ZINC000145278433 342760842 /nfs/dbraw/zinc/76/08/42/342760842.db2.gz OQFWAYGCAARWRO-AWEZNQCLSA-N 0 0 236.311 2.265 10 0 BEAERN C[C@H]1CCC(=O)N(C(=O)OC(C)(C)C)C1 ZINC000145438999 342761663 /nfs/dbraw/zinc/76/16/63/342761663.db2.gz MAKAGQOJZISZCH-QMMMGPOBSA-N 0 0 213.277 2.180 10 0 BEAERN C[C@H]1COc2ccc(Br)nc2N1C ZINC000145671249 342762544 /nfs/dbraw/zinc/76/25/44/342762544.db2.gz CILCFYSAKKNWRR-LURJTMIESA-N 0 0 243.104 2.061 10 0 BEAERN CCSc1ccc([C@@H]2CC(=O)N(C)C2=O)cc1 ZINC000005476119 342764530 /nfs/dbraw/zinc/76/45/30/342764530.db2.gz WDNYXLCZJDZTTQ-NSHDSACASA-N 0 0 249.335 2.271 10 0 BEAERN CCC[C@H]1NC(=S)N(Cc2ccccc2)C1=O ZINC000005591425 342766690 /nfs/dbraw/zinc/76/66/90/342766690.db2.gz SUHFCQQZHGGGKK-LLVKDONJSA-N 0 0 248.351 2.072 10 0 BEAERN O[C@@H](CCc1ccc2c(c1)OCO2)C1CC1 ZINC000146160092 342767056 /nfs/dbraw/zinc/76/70/56/342767056.db2.gz SBCVLOYZFITICR-NSHDSACASA-N 0 0 220.268 2.119 10 0 BEAERN CC(=O)Nc1ccc(CC[C@H](O)C2CC2)cc1 ZINC000146164415 342767060 /nfs/dbraw/zinc/76/70/60/342767060.db2.gz PJMMBNXVWURVRK-AWEZNQCLSA-N 0 0 233.311 2.349 10 0 BEAERN Cc1nn(CCC(F)(F)F)c(C)c1N ZINC000070913343 361880328 /nfs/dbraw/zinc/88/03/28/361880328.db2.gz KICNFXARUJLLOB-UHFFFAOYSA-N 0 0 207.199 2.035 10 0 BEAERN O=C1CCCN1[C@@H]1CCc2ccccc21 ZINC000146378959 342769099 /nfs/dbraw/zinc/76/90/99/342769099.db2.gz AYRRPBGRVWLOMK-GFCCVEGCSA-N 0 0 201.269 2.296 10 0 BEAERN COC(=O)[C@@H](CO)c1ccc(Cl)cc1Cl ZINC000146607148 342770053 /nfs/dbraw/zinc/77/00/53/342770053.db2.gz QSCNXQPZHPGLNW-QMMMGPOBSA-N 0 0 249.093 2.242 10 0 BEAERN CC(=O)C(=NNc1cc(C)ccc1C)C(C)=O ZINC000005927688 342771723 /nfs/dbraw/zinc/77/17/23/342771723.db2.gz YXDKHMKKTJFBCB-UHFFFAOYSA-N 0 0 232.283 2.249 10 0 BEAERN COP(=O)(CC(=O)c1cccs1)OC ZINC000147513936 342776406 /nfs/dbraw/zinc/77/64/06/342776406.db2.gz QPGUNUUBRABAGV-UHFFFAOYSA-N 0 0 234.213 2.417 10 0 BEAERN CCS(=O)(=O)c1cc(Cl)cc(C)c1C#N ZINC000216070771 342750973 /nfs/dbraw/zinc/75/09/73/342750973.db2.gz QCSXIFSJAYAEHX-UHFFFAOYSA-N 0 0 243.715 2.314 10 0 BEAERN CCOC(=O)/C=C/CC/C=C/C(=O)OCC ZINC000138118988 342779596 /nfs/dbraw/zinc/77/95/96/342779596.db2.gz VTZHQBVCIAKCLX-FIFLTTCUSA-N 0 0 226.272 2.005 10 0 BEAERN Cc1c(C=O)c2ccccc2n1CCCC(N)=O ZINC000147830536 342782687 /nfs/dbraw/zinc/78/26/87/342782687.db2.gz QXLZFMJKJABCFZ-UHFFFAOYSA-N 0 0 244.294 2.028 10 0 BEAERN CC[C@H](NN)c1csc(Br)c1 ZINC000126900413 342803570 /nfs/dbraw/zinc/80/35/70/342803570.db2.gz WROHCCWEESKBSV-LURJTMIESA-N 0 0 235.150 2.425 10 0 BEAERN C[C@@H]1C(=O)CCN1c1ccc(C#N)c(Cl)c1 ZINC000148146340 342788426 /nfs/dbraw/zinc/78/84/26/342788426.db2.gz COJFZYFWAHBONP-MRVPVSSYSA-N 0 0 234.686 2.379 10 0 BEAERN Nc1cnc(C(F)(F)F)cc1NC1CC1 ZINC000232136949 342789400 /nfs/dbraw/zinc/78/94/00/342789400.db2.gz UKGBSLBDBHRRRY-UHFFFAOYSA-N 0 0 217.194 2.257 10 0 BEAERN CCOC(=O)c1cc2ccncc2nc1C ZINC000149179702 342793401 /nfs/dbraw/zinc/79/34/01/342793401.db2.gz XROZBOXNOVYFTG-UHFFFAOYSA-N 0 0 216.240 2.115 10 0 BEAERN COC(=O)CSc1c[nH]c2ccccc21 ZINC000149162794 342793465 /nfs/dbraw/zinc/79/34/65/342793465.db2.gz LWOCAOAHHCRLBK-UHFFFAOYSA-N 0 0 221.281 2.433 10 0 BEAERN CCOC(=O)[C@H]1CC=C(c2cccc(N)n2)CC1 ZINC000149828300 342794910 /nfs/dbraw/zinc/79/49/10/342794910.db2.gz WYQWVAYKEUYKCK-NSHDSACASA-N 0 0 246.310 2.410 10 0 BEAERN CNc1ncc(F)c(OCc2ccccc2)n1 ZINC000157529743 342796131 /nfs/dbraw/zinc/79/61/31/342796131.db2.gz GGFLRBNZUQHWNV-UHFFFAOYSA-N 0 0 233.246 2.236 10 0 BEAERN CCC(=O)Nc1ccc(O)c(NC(=O)CC)c1 ZINC000008190034 342796665 /nfs/dbraw/zinc/79/66/65/342796665.db2.gz NWIDHNBRMXBXOI-UHFFFAOYSA-N 0 0 236.271 2.089 10 0 BEAERN CC(C)CCN(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000188299381 538978370 /nfs/dbraw/zinc/97/83/70/538978370.db2.gz WKDUURXZDOUWNX-NEPJUHHUSA-N 0 0 227.348 2.306 10 0 BEAERN CC(C)CCN(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188299359 538978419 /nfs/dbraw/zinc/97/84/19/538978419.db2.gz WKDUURXZDOUWNX-NWDGAFQWSA-N 0 0 227.348 2.306 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000624673637 342817216 /nfs/dbraw/zinc/81/72/16/342817216.db2.gz MXOLQSOAXISXMI-NEPJUHHUSA-N 0 0 247.342 2.001 10 0 BEAERN CCC(CC)Nc1cc(C(N)=S)ccn1 ZINC000019432247 168393735 /nfs/dbraw/zinc/39/37/35/168393735.db2.gz ICQLBSJXUZLRSF-UHFFFAOYSA-N 0 0 223.345 2.316 10 0 BEAERN Cc1cc(-c2ccc(F)cc2)c2nc(N)nn2c1 ZINC000118437294 342822743 /nfs/dbraw/zinc/82/27/43/342822743.db2.gz FSRZTJAEWWDYAR-UHFFFAOYSA-N 0 0 242.257 2.426 10 0 BEAERN COc1cc2c(c([N+](=O)[O-])c1)NCC=C2 ZINC000394751035 342823265 /nfs/dbraw/zinc/82/32/65/342823265.db2.gz MRAOMGXABBLVJQ-UHFFFAOYSA-N 0 0 206.201 2.042 10 0 BEAERN CCOC(=O)c1nc2ccccc2cc1O ZINC000138345147 342824356 /nfs/dbraw/zinc/82/43/56/342824356.db2.gz YEMPERUHXORKOO-UHFFFAOYSA-N 0 0 217.224 2.117 10 0 BEAERN NN[C@@H](c1cccc(Br)c1)C1CC1 ZINC000097487911 342805388 /nfs/dbraw/zinc/80/53/88/342805388.db2.gz AASNUOVLEWUCEP-SNVBAGLBSA-N 0 0 241.132 2.364 10 0 BEAERN NN[C@H](c1cccc(Br)c1)C1CC1 ZINC000097487912 342805400 /nfs/dbraw/zinc/80/54/00/342805400.db2.gz AASNUOVLEWUCEP-JTQLQIEISA-N 0 0 241.132 2.364 10 0 BEAERN CCC(CC)Nc1cc(-n2cnnn2)ccc1F ZINC000037773525 168394393 /nfs/dbraw/zinc/39/43/93/168394393.db2.gz ZHLMYVJKNVHPFV-UHFFFAOYSA-N 0 0 249.293 2.402 10 0 BEAERN CCSCC[NH2+]Cc1nc(C)cs1 ZINC000128894452 398290044 /nfs/dbraw/zinc/29/00/44/398290044.db2.gz HZWFFQGQTKJAJX-UHFFFAOYSA-N 0 0 216.375 2.294 10 0 BEAERN CCCNc1nc2sccc2c(N)n1 ZINC000233213762 342826855 /nfs/dbraw/zinc/82/68/55/342826855.db2.gz ODDQHOAEJZAMQS-UHFFFAOYSA-N 0 0 208.290 2.095 10 0 BEAERN COC(=O)[C@@H]1O[C@@]1(C)c1c(F)cccc1Cl ZINC000380978397 538993994 /nfs/dbraw/zinc/99/39/94/538993994.db2.gz BWRVQENAEWTDJK-ONGXEEELSA-N 0 0 244.649 2.266 10 0 BEAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCCCC1 ZINC000190198962 538988243 /nfs/dbraw/zinc/98/82/43/538988243.db2.gz LBJHYHZYYFVSNL-VXGBXAGGSA-N 0 0 225.332 2.204 10 0 BEAERN CC(C)N(C(=O)[C@H]1CCCO[C@@H]1C)C1CC1 ZINC000191193718 538992004 /nfs/dbraw/zinc/99/20/04/538992004.db2.gz JCLWBBOLLCHTKX-PWSUYJOCSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC1(C)C ZINC000191205229 538992022 /nfs/dbraw/zinc/99/20/22/538992022.db2.gz JUGLVHXMJAYSRE-QWRGUYRKSA-N 0 0 225.332 2.203 10 0 BEAERN Cc1cc(N[C@H]2CCCOC2)nc(Cl)n1 ZINC000071024619 361931829 /nfs/dbraw/zinc/93/18/29/361931829.db2.gz NZDPQVNXPBRNPV-QMMMGPOBSA-N 0 0 227.695 2.029 10 0 BEAERN Cc1nnc(Cl)n1-c1cccc(F)c1 ZINC000071052550 361936660 /nfs/dbraw/zinc/93/66/60/361936660.db2.gz MOIKTKCDTTYKMQ-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN Fc1cc(F)cc(-n2cnnc2Cl)c1 ZINC000071053368 361937240 /nfs/dbraw/zinc/93/72/40/361937240.db2.gz JUZGEOKXPFQCMR-UHFFFAOYSA-N 0 0 215.590 2.199 10 0 BEAERN Cc1ccc(F)cc1-n1cnnc1Cl ZINC000071053381 361937292 /nfs/dbraw/zinc/93/72/92/361937292.db2.gz HWTOOBUVHWQVAT-UHFFFAOYSA-N 0 0 211.627 2.368 10 0 BEAERN CCC[C@]1(C(=O)OCC)O[C@]12CC[C@@H]2C ZINC000379899423 538981581 /nfs/dbraw/zinc/98/15/81/538981581.db2.gz DUAVVJAQCPJCTL-ZMLRMANQSA-N 0 0 212.289 2.287 10 0 BEAERN Cc1nnc(Cl)n1Cc1ccc(F)cc1 ZINC000071053311 361937874 /nfs/dbraw/zinc/93/78/74/361937874.db2.gz DFVFHVWSDUHJCF-UHFFFAOYSA-N 0 0 225.654 2.427 10 0 BEAERN Fc1cccc(Cn2cnnc2Cl)c1 ZINC000071053472 361937926 /nfs/dbraw/zinc/93/79/26/361937926.db2.gz BFHXDPPJDVGIDH-UHFFFAOYSA-N 0 0 211.627 2.119 10 0 BEAERN Fc1cccc(CCn2cnnc2Cl)c1 ZINC000071053800 361938223 /nfs/dbraw/zinc/93/82/23/361938223.db2.gz JNIKMHWREDSSQI-UHFFFAOYSA-N 0 0 225.654 2.313 10 0 BEAERN Clc1nnc(C2CC2)n1C1CCOCC1 ZINC000071053822 361938869 /nfs/dbraw/zinc/93/88/69/361938869.db2.gz JWRFWVYBANKKIO-UHFFFAOYSA-N 0 0 227.695 2.160 10 0 BEAERN CC(C)c1nnc(Cl)n1[C@H]1CCCOC1 ZINC000071055730 361939344 /nfs/dbraw/zinc/93/93/44/361939344.db2.gz NZPOFXKSSIXGQX-QMMMGPOBSA-N 0 0 229.711 2.406 10 0 BEAERN C[C@@H]1C[C@@H]1c1nnc(Br)s1 ZINC000071051552 361941359 /nfs/dbraw/zinc/94/13/59/361941359.db2.gz VNHOCWHONCWCPV-DMTCNVIQSA-N 0 0 219.107 2.424 10 0 BEAERN Clc1nnc(-c2cscn2)s1 ZINC000071051033 361941823 /nfs/dbraw/zinc/94/18/23/361941823.db2.gz DCMNLXKASKIOAK-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN COCc1ccc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000382460554 539009383 /nfs/dbraw/zinc/00/93/83/539009383.db2.gz DRTWRLSVIHAVQR-NSHDSACASA-N 0 0 239.315 2.085 10 0 BEAERN C[C@H](c1ccc2ccccc2c1)S(N)(=O)=O ZINC000050350330 539010902 /nfs/dbraw/zinc/01/09/02/539010902.db2.gz NFKZKAHQYRGCRT-SECBINFHSA-N 0 0 235.308 2.189 10 0 BEAERN CCC(C)(C)C1CCC(S(N)(=O)=O)CC1 ZINC000050350020 539010906 /nfs/dbraw/zinc/01/09/06/539010906.db2.gz SLGPNSHMLVFQTH-UHFFFAOYSA-N 0 0 233.377 2.270 10 0 BEAERN CCC[C@@H](c1ccc(Cl)cc1)S(N)(=O)=O ZINC000050350552 539010925 /nfs/dbraw/zinc/01/09/25/539010925.db2.gz SLFUNIIZVHDJEJ-JTQLQIEISA-N 0 0 247.747 2.470 10 0 BEAERN NS(=O)(=O)[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050350748 539011046 /nfs/dbraw/zinc/01/10/46/539011046.db2.gz XOWLZHYAXVBOAL-JTQLQIEISA-N 0 0 245.731 2.080 10 0 BEAERN CCC(CC)[C@@H](C)Nc1nccn(CC)c1=O ZINC000104438534 168399745 /nfs/dbraw/zinc/39/97/45/168399745.db2.gz HABZRUOHEFDQQZ-SNVBAGLBSA-N 0 0 237.347 2.500 10 0 BEAERN O[C@H](c1cn[nH]c1)c1cscc1Cl ZINC000710475163 539027701 /nfs/dbraw/zinc/02/77/01/539027701.db2.gz QHIQORCKBDEAOT-MRVPVSSYSA-N 0 0 214.677 2.206 10 0 BEAERN C[C@H](Cn1ccc(=O)c(N)c1)C(C)(C)C ZINC000710767075 539028212 /nfs/dbraw/zinc/02/82/12/539028212.db2.gz JOLHIKGVKBXUIS-SECBINFHSA-N 0 0 208.305 2.113 10 0 BEAERN CC(=O)OC(C)(C)C(=O)c1cccc(F)c1 ZINC000382672633 361973186 /nfs/dbraw/zinc/97/31/86/361973186.db2.gz BVPTWAOQGSOZRA-UHFFFAOYSA-N 0 0 224.231 2.350 10 0 BEAERN CC[C@H](C)Cc1nnc(Br)o1 ZINC000164868749 342853427 /nfs/dbraw/zinc/85/34/27/342853427.db2.gz JTDYCTVZINALII-YFKPBYRVSA-N 0 0 219.082 2.421 10 0 BEAERN COc1cc(F)c(F)c(F)c1C(C)=O ZINC000238347694 259325651 /nfs/dbraw/zinc/32/56/51/259325651.db2.gz OFDVMXRSMRNPPJ-UHFFFAOYSA-N 0 0 204.147 2.315 10 0 BEAERN O=c1[nH]ccnc1-c1sccc1Cl ZINC000229973252 342861905 /nfs/dbraw/zinc/86/19/05/342861905.db2.gz HWNLWIZZYOZZJL-UHFFFAOYSA-N 0 0 212.661 2.152 10 0 BEAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@H]1CCCO1 ZINC000245482191 342862532 /nfs/dbraw/zinc/86/25/32/342862532.db2.gz DDHFPLQRLNEOLA-KIJLLGNVSA-N 0 0 237.343 2.106 10 0 BEAERN Cc1noc(CNc2nc(Cl)cs2)n1 ZINC000164992282 342864060 /nfs/dbraw/zinc/86/40/60/342864060.db2.gz WQVHDHIKXUNZQL-UHFFFAOYSA-N 0 0 230.680 2.100 10 0 BEAERN C[C@@H](N)c1nnc([C@@]2(C)CCCS2)s1 ZINC000164993501 342864114 /nfs/dbraw/zinc/86/41/14/342864114.db2.gz UYNCQRMAXFWFDD-HZGVNTEJSA-N 0 0 229.374 2.300 10 0 BEAERN COCO[C@@H](C)c1cc(F)ccc1C=O ZINC000521399863 398304630 /nfs/dbraw/zinc/30/46/30/398304630.db2.gz VKXGPVSMWPMHBF-QMMMGPOBSA-N 0 0 212.220 2.320 10 0 BEAERN CCC[C@@H](NO)c1ccc2c(c1)OCO2 ZINC000308760379 342867561 /nfs/dbraw/zinc/86/75/61/342867561.db2.gz KBCNWEKQMYUCAJ-SECBINFHSA-N 0 0 209.245 2.235 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000077102504 398306294 /nfs/dbraw/zinc/30/62/94/398306294.db2.gz OXQURTWYCJLOPI-QWHCGFSZSA-N 0 0 233.311 2.028 10 0 BEAERN O=c1c(Cl)nccn1CCc1ccsc1 ZINC000165081418 342873941 /nfs/dbraw/zinc/87/39/41/342873941.db2.gz GVVSAPPMTDTPLA-UHFFFAOYSA-N 0 0 240.715 2.201 10 0 BEAERN C[C@H]1OCC[C@H]1Nc1nc(Cl)cs1 ZINC000165080308 342873951 /nfs/dbraw/zinc/87/39/51/342873951.db2.gz HOULILQKHFRPLJ-PHDIDXHHSA-N 0 0 218.709 2.386 10 0 BEAERN C[C@H]1CN(c2nc(Cl)cs2)C[C@H](C)O1 ZINC000165106085 342875304 /nfs/dbraw/zinc/87/53/04/342875304.db2.gz NLMCPDODBJIHEG-BQBZGAKWSA-N 0 0 232.736 2.410 10 0 BEAERN COc1ccc(F)cc1C(=O)CSC ZINC000038064008 342875826 /nfs/dbraw/zinc/87/58/26/342875826.db2.gz ZEVIRTVTPHOOFW-UHFFFAOYSA-N 0 0 214.261 2.380 10 0 BEAERN O[C@@H]1CSC[C@@H]1Cc1ccsc1 ZINC000134664132 342875956 /nfs/dbraw/zinc/87/59/56/342875956.db2.gz OBCPMZBZKHQNFZ-DTWKUNHWSA-N 0 0 200.328 2.015 10 0 BEAERN Nc1cnc(-c2sccc2Cl)cn1 ZINC000229945784 342858090 /nfs/dbraw/zinc/85/80/90/342858090.db2.gz JOENHGKODVJXGR-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@]1(C(=O)Nc2cccc(Cl)n2)CCCO1 ZINC000133151491 398310474 /nfs/dbraw/zinc/31/04/74/398310474.db2.gz XERBJIJDHBKOOB-LLVKDONJSA-N 0 0 240.690 2.243 10 0 BEAERN CCOC(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000309170239 342899272 /nfs/dbraw/zinc/89/92/72/342899272.db2.gz NLZMGEQSYWMUMB-UHFFFAOYSA-N 0 0 217.224 2.117 10 0 BEAERN COc1c2[nH]ccc2ccc1OC(C)=O ZINC000014517160 342881699 /nfs/dbraw/zinc/88/16/99/342881699.db2.gz AWWPXHGIFGNNNB-UHFFFAOYSA-N 0 0 205.213 2.102 10 0 BEAERN COc1cccc(F)c1[C@@H](C)NCc1cn[nH]c1 ZINC000134773087 342884288 /nfs/dbraw/zinc/88/42/88/342884288.db2.gz AUVHCKVUPCCCRN-SECBINFHSA-N 0 0 249.289 2.408 10 0 BEAERN CCCCC(=O)NCCCCCC(=O)OC ZINC000035161039 342884606 /nfs/dbraw/zinc/88/46/06/342884606.db2.gz NLVLBMUKPPLGRZ-UHFFFAOYSA-N 0 0 229.320 2.026 10 0 BEAERN CCOC(=O)Cc1cc(OC)cc(C)c1OC ZINC000259970239 398311911 /nfs/dbraw/zinc/31/19/11/398311911.db2.gz DHDSWZRVDBDNBW-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN CCc1cc(NC(=O)[C@H]2Cc3ccccc32)n[nH]1 ZINC000134796469 342890445 /nfs/dbraw/zinc/89/04/45/342890445.db2.gz NGUHTFPIBJBLDG-LBPRGKRZSA-N 0 0 241.294 2.251 10 0 BEAERN CN(N)c1ccnc2cc(Cl)ccc21 ZINC000015042968 342890942 /nfs/dbraw/zinc/89/09/42/342890942.db2.gz HGGBWXLTZQVJSF-UHFFFAOYSA-N 0 0 207.664 2.198 10 0 BEAERN Clc1cc(NC2CC2)nc(Cl)n1 ZINC000060136929 342905603 /nfs/dbraw/zinc/90/56/03/342905603.db2.gz QRTRXSONPAFUNI-UHFFFAOYSA-N 0 0 204.060 2.358 10 0 BEAERN COc1ccc(C(=O)COC(C)=O)c(Cl)c1 ZINC000309198333 342907589 /nfs/dbraw/zinc/90/75/89/342907589.db2.gz VQTLNUSQGFXCJX-UHFFFAOYSA-N 0 0 242.658 2.094 10 0 BEAERN CC[C@@H]1C[C@H]1NC1N=NC(=S)S1 ZINC000233919245 342900573 /nfs/dbraw/zinc/90/05/73/342900573.db2.gz XQLWEHSIYHFCKC-RFZPGFLSSA-N 0 0 201.320 2.037 10 0 BEAERN Clc1c2c(nn1-c1cnccn1)CSC2 ZINC000134852073 342902354 /nfs/dbraw/zinc/90/23/54/342902354.db2.gz SJELEAXJYLUGHG-UHFFFAOYSA-N 0 0 238.703 2.063 10 0 BEAERN COC(=O)c1c(O)cccc1OC(F)(F)F ZINC000309176979 342903306 /nfs/dbraw/zinc/90/33/06/342903306.db2.gz YMCLJUMHTHHAIJ-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN COC(=O)c1cc(C)cnc1OC(F)(F)F ZINC000309180568 342903326 /nfs/dbraw/zinc/90/33/26/342903326.db2.gz CQIMCANGHVTSIR-UHFFFAOYSA-N 0 0 235.161 2.075 10 0 BEAERN Nc1ccc(Cl)cc1N[C@H]1CCOC1 ZINC000228413677 398324359 /nfs/dbraw/zinc/32/43/59/398324359.db2.gz YOYMXIPRGFKCHC-QMMMGPOBSA-N 0 0 212.680 2.123 10 0 BEAERN C[C@H](C(N)=O)N1CCC2(CCC2)c2ccccc21 ZINC000216791001 342922903 /nfs/dbraw/zinc/92/29/03/342922903.db2.gz ZLPQRGFXQORDHN-LLVKDONJSA-N 0 0 244.338 2.192 10 0 BEAERN CSCCCC(=O)N(C)C[C@H]1CCCOC1 ZINC000134878904 342914107 /nfs/dbraw/zinc/91/41/07/342914107.db2.gz QEXUIQDXFSZOOY-LLVKDONJSA-N 0 0 245.388 2.015 10 0 BEAERN CC[C@@H](C)C(=O)Nc1cccc(C=O)c1 ZINC000233972211 342916710 /nfs/dbraw/zinc/91/67/10/342916710.db2.gz ONXLIMKCWGPAGN-SECBINFHSA-N 0 0 205.257 2.484 10 0 BEAERN C[C@@H]1CCSC(NCC(F)(F)F)=N1 ZINC000133455552 398325008 /nfs/dbraw/zinc/32/50/08/398325008.db2.gz OGFVXQVTSDBQFM-RXMQYKEDSA-N 0 0 212.240 2.020 10 0 BEAERN COC(=O)Cc1ccc(C(C)=O)c(Cl)c1 ZINC000575442249 398328548 /nfs/dbraw/zinc/32/85/48/398328548.db2.gz RJXDKFMQXYNYAX-UHFFFAOYSA-N 0 0 226.659 2.258 10 0 BEAERN Cc1cc(N)ccc1S[C@H]1CCOC1 ZINC000070533289 398330507 /nfs/dbraw/zinc/33/05/07/398330507.db2.gz OQSGRANPKXHROH-JTQLQIEISA-N 0 0 209.314 2.458 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)NCCC1=CCCC1 ZINC000120016402 398336718 /nfs/dbraw/zinc/33/67/18/398336718.db2.gz XBQVQEQSJAPRMI-MWLCHTKSSA-N 0 0 208.305 2.194 10 0 BEAERN C[C@@H]1Cc2c(c(F)c(F)cc2F)C1=O ZINC000235394809 398337239 /nfs/dbraw/zinc/33/72/39/398337239.db2.gz WJAPNPIUMZAVDJ-SCSAIBSYSA-N 0 0 200.159 2.479 10 0 BEAERN c1nc(C[C@@H]2CCc3cccnc3C2)c[nH]1 ZINC000117016245 342940852 /nfs/dbraw/zinc/94/08/52/342940852.db2.gz SIDBSMXMBWXFQV-JTQLQIEISA-N 0 0 213.284 2.152 10 0 BEAERN c1nc(C[C@H]2CCc3cccnc3C2)c[nH]1 ZINC000117016246 342940950 /nfs/dbraw/zinc/94/09/50/342940950.db2.gz SIDBSMXMBWXFQV-SNVBAGLBSA-N 0 0 213.284 2.152 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(F)c(F)cc1F ZINC000129425041 398340073 /nfs/dbraw/zinc/34/00/73/398340073.db2.gz LFKACPLKFPEHDH-FWOIEVBISA-N 0 0 229.201 2.242 10 0 BEAERN CC[C@@H](Nc1ccc2oc(C)nc2c1)C(=O)OC ZINC000134926916 398341988 /nfs/dbraw/zinc/34/19/88/398341988.db2.gz FSFYJFZBCUIDIH-SNVBAGLBSA-N 0 0 248.282 2.500 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000136573123 398342788 /nfs/dbraw/zinc/34/27/88/398342788.db2.gz PTOGCZZKTLGSJF-SMDDNHRTSA-N 0 0 247.338 2.461 10 0 BEAERN CCOC(=O)c1ccccc1C(=O)C(F)F ZINC000309280404 342944661 /nfs/dbraw/zinc/94/46/61/342944661.db2.gz GLYJVQBTYOWTDH-UHFFFAOYSA-N 0 0 228.194 2.311 10 0 BEAERN COC(=O)c1ccc(C(=O)CCSC)cc1 ZINC000309278165 342944719 /nfs/dbraw/zinc/94/47/19/342944719.db2.gz FXHKUOWHOQNRQR-UHFFFAOYSA-N 0 0 238.308 2.409 10 0 BEAERN C[C@@]([NH3+])(C(=O)[O-])c1cccc2ccccc21 ZINC000019474604 342949170 /nfs/dbraw/zinc/94/91/70/342949170.db2.gz OCLLVJCYGMCLJG-ZDUSSCGKSA-N 0 0 215.252 2.098 10 0 BEAERN C[C@H](COCc1ccccc1)NC(=O)[C@H]1C[C@@H]1C ZINC000246934194 342959862 /nfs/dbraw/zinc/95/98/62/342959862.db2.gz MTZPLHASNSZGLO-SCRDCRAPSA-N 0 0 247.338 2.364 10 0 BEAERN CCCCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181180053 534929306 /nfs/dbraw/zinc/92/93/06/534929306.db2.gz ACQSNFPGKGJLHQ-JTQLQIEISA-N 0 0 236.319 2.049 10 0 BEAERN Ic1ccc2c(n1)CCC2 ZINC000167716402 346904302 /nfs/dbraw/zinc/90/43/02/346904302.db2.gz SKRYRNUIMRBDLM-UHFFFAOYSA-N 0 0 245.063 2.175 10 0 BEAERN CCC12CO[C@@H](C(C)C)N1[C@H](C(C)C)OC2 ZINC000019942967 342963958 /nfs/dbraw/zinc/96/39/58/342963958.db2.gz ZFNYRUONSKXJOW-RYUDHWBXSA-N 0 0 227.348 2.462 10 0 BEAERN Cc1ccc(C)c(C[C@H](O)c2ncccn2)c1 ZINC000049257873 178476748 /nfs/dbraw/zinc/47/67/48/178476748.db2.gz OKTHHQLYTBPKIQ-ZDUSSCGKSA-N 0 0 228.295 2.370 10 0 BEAERN Cc1nn(C)c(C)c1CNCc1cccc(C)n1 ZINC000048329767 342990047 /nfs/dbraw/zinc/99/00/47/342990047.db2.gz MIXCGGZBNSLBHB-UHFFFAOYSA-N 0 0 244.342 2.030 10 0 BEAERN CC/C=C(\C)C(=O)Nc1cncc(Cl)n1 ZINC000308770404 346911147 /nfs/dbraw/zinc/91/11/47/346911147.db2.gz VBTLHSVYEQHGGI-QPJJXVBHSA-N 0 0 225.679 2.425 10 0 BEAERN Cc1ccc(C)c(Cn2nccc2N)c1 ZINC000049670317 178477971 /nfs/dbraw/zinc/47/79/71/178477971.db2.gz HJTGOCHOFWAEPQ-UHFFFAOYSA-N 0 0 201.273 2.130 10 0 BEAERN O=c1[nH]cnc2[nH]c(-c3ccccc3)cc21 ZINC000117462195 342995125 /nfs/dbraw/zinc/99/51/25/342995125.db2.gz GAMJQSLUWWEVCN-UHFFFAOYSA-N 0 0 211.224 2.331 10 0 BEAERN CC(C)(C)c1ccccc1[C@@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000083434127 259338425 /nfs/dbraw/zinc/33/84/25/259338425.db2.gz OWZWOCHGCLWKHN-NWDGAFQWSA-N 0 0 247.338 2.372 10 0 BEAERN C[C@H]1C[C@H](Nc2ccnc(Cl)n2)CCO1 ZINC000220110284 344023832 /nfs/dbraw/zinc/02/38/32/344023832.db2.gz AUUBUISMUFYQGS-JGVFFNPUSA-N 0 0 227.695 2.109 10 0 BEAERN O=c1oc2cc(O)ccc2cc1Br ZINC000034558297 346920333 /nfs/dbraw/zinc/92/03/33/346920333.db2.gz KTJJENNDBOOPSS-UHFFFAOYSA-N 0 0 241.040 2.261 10 0 BEAERN c1c[nH]c(C2=CCC3(CC2)OCCO3)c1 ZINC000144958514 343059083 /nfs/dbraw/zinc/05/90/83/343059083.db2.gz GDRNTIOEQREOGI-UHFFFAOYSA-N 0 0 205.257 2.325 10 0 BEAERN COc1c(O)c(Br)ccc1F ZINC000144294851 362018918 /nfs/dbraw/zinc/01/89/18/362018918.db2.gz SAPRHGBWEWFHRP-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN CC(C)c1cc2[nH]c(=O)c3ccccc3n2n1 ZINC000584880434 343080861 /nfs/dbraw/zinc/08/08/61/343080861.db2.gz BPPPCXSRQDFYOD-UHFFFAOYSA-N 0 0 227.267 2.299 10 0 BEAERN CCOC(=O)c1c(N)oc2c1ncc(C)c2C ZINC000584880286 343080992 /nfs/dbraw/zinc/08/09/92/343080992.db2.gz LMRUJATXYSOGQQ-UHFFFAOYSA-N 0 0 234.255 2.204 10 0 BEAERN Cc1cc([C@H](C)NN)sc1Br ZINC000127207835 344027017 /nfs/dbraw/zinc/02/70/17/344027017.db2.gz RPVLRYPKPZIYBW-YFKPBYRVSA-N 0 0 235.150 2.343 10 0 BEAERN O=Cc1cnc2cnc(-c3cccc(F)c3)cn12 ZINC000584880869 343081612 /nfs/dbraw/zinc/08/16/12/343081612.db2.gz OZFXCQLAPGRHBE-UHFFFAOYSA-N 0 0 241.225 2.348 10 0 BEAERN Cc1sc(Br)nc1N(C)C ZINC000584881154 343082062 /nfs/dbraw/zinc/08/20/62/343082062.db2.gz MUPCINJOAXXFDB-UHFFFAOYSA-N 0 0 221.123 2.280 10 0 BEAERN CCOC(=O)[C@@H]1Cc2c(c(C)ccc2F)N1 ZINC000584881797 343082698 /nfs/dbraw/zinc/08/26/98/343082698.db2.gz RBIUPQWPYZRICO-JTQLQIEISA-N 0 0 223.247 2.034 10 0 BEAERN Nc1cnc2c(Cl)ccc(F)c2c1N ZINC000584882308 343084702 /nfs/dbraw/zinc/08/47/02/343084702.db2.gz BCYXQOUIWDFEBE-UHFFFAOYSA-N 0 0 211.627 2.022 10 0 BEAERN CCNc1c(N)cnc2c(Cl)cc(F)cc21 ZINC000584882405 343084708 /nfs/dbraw/zinc/08/47/08/343084708.db2.gz GANMLYZHIBCZLV-UHFFFAOYSA-N 0 0 239.681 2.463 10 0 BEAERN CNc1c(N)c[nH+]c2cc(Cl)c(C)cc21 ZINC000584882631 343085223 /nfs/dbraw/zinc/08/52/23/343085223.db2.gz MHYVJIINARSVCX-UHFFFAOYSA-N 0 0 221.691 2.242 10 0 BEAERN CCNc1c(N)cnc2c(F)cc(Cl)cc21 ZINC000584882584 343085230 /nfs/dbraw/zinc/08/52/30/343085230.db2.gz LBUHGWRFWKFCMP-UHFFFAOYSA-N 0 0 239.681 2.463 10 0 BEAERN CCCCc1cc(Cl)nc(NCC)n1 ZINC000584882804 343085592 /nfs/dbraw/zinc/08/55/92/343085592.db2.gz SOSBNEQWVMAKOL-UHFFFAOYSA-N 0 0 213.712 2.326 10 0 BEAERN CCc1ccc2c(c1)[C@@H](O)CCN2C(C)=O ZINC000584883120 343085805 /nfs/dbraw/zinc/08/58/05/343085805.db2.gz HJDWTSJVKZPCHT-ZDUSSCGKSA-N 0 0 219.284 2.039 10 0 BEAERN CCOC(=O)[C@@]1(C)N[C@H](C)Cc2ccsc21 ZINC000584883793 343086792 /nfs/dbraw/zinc/08/67/92/343086792.db2.gz JVUNLQOUBXKWEJ-PELKAZGASA-N 0 0 239.340 2.061 10 0 BEAERN CC(C)Cc1nnc(COc2ccccc2N)[nH]1 ZINC000072237508 343088636 /nfs/dbraw/zinc/08/86/36/343088636.db2.gz DSYOPEJYXBHDFQ-UHFFFAOYSA-N 0 0 246.314 2.164 10 0 BEAERN COc1ccc2[nH]cc(CC[C@@H](C)O)c2c1 ZINC000140277122 343075443 /nfs/dbraw/zinc/07/54/43/343075443.db2.gz UFFDQNUAKJSLDO-SECBINFHSA-N 0 0 219.284 2.490 10 0 BEAERN CCOC(=O)[C@H]1Cc2cc(C)cc(C)c2N1 ZINC000260996854 343077478 /nfs/dbraw/zinc/07/74/78/343077478.db2.gz APRWLJCSQYZXOW-LLVKDONJSA-N 0 0 219.284 2.203 10 0 BEAERN Cc1n[nH]c(=S)n1CCc1ccco1 ZINC000042591694 362011418 /nfs/dbraw/zinc/01/14/18/362011418.db2.gz BSSLZKXTOWOTPZ-UHFFFAOYSA-N 0 0 209.274 2.085 10 0 BEAERN O=C1CCN(c2ccc(Cl)cc2F)C1 ZINC000042590072 362011831 /nfs/dbraw/zinc/01/18/31/362011831.db2.gz DKGYHPORVUMYMZ-UHFFFAOYSA-N 0 0 213.639 2.258 10 0 BEAERN CCOC(CCCCC1OCCO1)OCC ZINC000043502962 343098813 /nfs/dbraw/zinc/09/88/13/343098813.db2.gz MCHAOIIWIAIPKA-UHFFFAOYSA-N 0 0 232.320 2.319 10 0 BEAERN CCOC(OCC)C(=O)c1ccccc1OC ZINC000043504072 343099841 /nfs/dbraw/zinc/09/98/41/343099841.db2.gz RCHKGFBHEBBKHM-UHFFFAOYSA-N 0 0 238.283 2.277 10 0 BEAERN COCC(=O)c1cc(Cl)ccc1OC ZINC000043504743 343101405 /nfs/dbraw/zinc/10/14/05/343101405.db2.gz PSOKBNGNWKGBDS-UHFFFAOYSA-N 0 0 214.648 2.178 10 0 BEAERN COCC(=O)c1ccc(F)c(Cl)c1 ZINC000043504737 343101546 /nfs/dbraw/zinc/10/15/46/343101546.db2.gz SSPSMZRRJMXGHZ-UHFFFAOYSA-N 0 0 202.612 2.308 10 0 BEAERN Nc1cc2nc(N)c(-c3ccccc3)cc2cn1 ZINC000013834856 343106201 /nfs/dbraw/zinc/10/62/01/343106201.db2.gz IEGFEVXCKUNXSR-UHFFFAOYSA-N 0 0 236.278 2.461 10 0 BEAERN CCC(O)(CC)CNc1ccc(SC)nn1 ZINC000301230726 168424300 /nfs/dbraw/zinc/42/43/00/168424300.db2.gz AMOKKYJTMVZMSI-UHFFFAOYSA-N 0 0 241.360 2.162 10 0 BEAERN CO[C@H]1CN(c2nsnc2Cl)CC[C@H]1C ZINC000299906609 349795280 /nfs/dbraw/zinc/79/52/80/349795280.db2.gz HHDDBTQFHQNYES-RQJHMYQMSA-N 0 0 247.751 2.053 10 0 BEAERN CCOC(=O)/C(=C/OC)c1ccccc1 ZINC000039251149 343122757 /nfs/dbraw/zinc/12/27/57/343122757.db2.gz UNILKNUAXHDKNO-PKNBQFBNSA-N 0 0 206.241 2.237 10 0 BEAERN C[C@H](O)CC[C@H]1OC(=O)c2ccccc21 ZINC000014444838 343124536 /nfs/dbraw/zinc/12/45/36/343124536.db2.gz BOPXPQRBGFXGQN-GZMMTYOYSA-N 0 0 206.241 2.059 10 0 BEAERN COc1ncc(F)c(C)c1Br ZINC000143469577 343124951 /nfs/dbraw/zinc/12/49/51/343124951.db2.gz CEZYPMLGGRRUIV-UHFFFAOYSA-N 0 0 220.041 2.300 10 0 BEAERN CN1C(=O)Cc2cccc(C(F)(F)F)c21 ZINC000143493583 343125301 /nfs/dbraw/zinc/12/53/01/343125301.db2.gz ABDPQBVWVYRWPG-UHFFFAOYSA-N 0 0 215.174 2.224 10 0 BEAERN Cc1ccc(CCC(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000133579827 136271852 /nfs/dbraw/zinc/27/18/52/136271852.db2.gz SBFKLHQRSXYIAO-STQMWFEESA-N 0 0 249.354 2.061 10 0 BEAERN COC(=O)CC[C@@H]1COc2ccc(OC)cc21 ZINC000144822513 343139287 /nfs/dbraw/zinc/13/92/87/343139287.db2.gz MHVAERHNGBZHSG-SECBINFHSA-N 0 0 236.267 2.124 10 0 BEAERN Cc1cc(O)ccc1-c1c(C)nc[n+]([O-])c1C ZINC000144880097 343141876 /nfs/dbraw/zinc/14/18/76/343141876.db2.gz UIGVZQBAIBEDTC-UHFFFAOYSA-N 0 0 230.267 2.013 10 0 BEAERN COc1ccc(CC(=O)C(C)C)cc1OC ZINC000032014178 343141924 /nfs/dbraw/zinc/14/19/24/343141924.db2.gz HLRDOFQWTWRCBL-UHFFFAOYSA-N 0 0 222.284 2.471 10 0 BEAERN Cc1n[nH]c(C)c1CN[C@@H](C)c1cscn1 ZINC000127840352 343178995 /nfs/dbraw/zinc/17/89/95/343178995.db2.gz DARCQNJRXKGRQK-VIFPVBQESA-N 0 0 236.344 2.334 10 0 BEAERN O=C(CCn1cccn1)c1ccccc1 ZINC000130793410 343181926 /nfs/dbraw/zinc/18/19/26/343181926.db2.gz GFFCPMXIVWDWND-UHFFFAOYSA-N 0 0 200.241 2.156 10 0 BEAERN Cc1cc(N[C@@H]2CCc3cc(N)ccc32)ncn1 ZINC000094092749 343152530 /nfs/dbraw/zinc/15/25/30/343152530.db2.gz GHHRVFUZBCFMFG-CYBMUJFWSA-N 0 0 240.310 2.467 10 0 BEAERN Cc1ccccc1NC(=O)[C@@](C)(N)C(F)(F)F ZINC000094231445 343155500 /nfs/dbraw/zinc/15/55/00/343155500.db2.gz WOSQJMJBYKCMCY-SNVBAGLBSA-N 0 0 246.232 2.213 10 0 BEAERN C[C@@H](N[C@@H](C)c1cscn1)c1ncc[nH]1 ZINC000124733548 343164796 /nfs/dbraw/zinc/16/47/96/343164796.db2.gz DUUYFLAMZSNCBA-JGVFFNPUSA-N 0 0 222.317 2.278 10 0 BEAERN C[C@@H](N[C@H](C)c1ncc[nH]1)c1cscn1 ZINC000124733775 343165000 /nfs/dbraw/zinc/16/50/00/343165000.db2.gz DUUYFLAMZSNCBA-HTQZYQBOSA-N 0 0 222.317 2.278 10 0 BEAERN C[C@@H](NC(=O)Cc1ccccc1O)C(C)(C)C ZINC000125603759 343173974 /nfs/dbraw/zinc/17/39/74/343173974.db2.gz RNGAGQYEFODIFF-SNVBAGLBSA-N 0 0 235.327 2.486 10 0 BEAERN Nc1ccnc(OCc2cccs2)c1 ZINC000043572008 343197372 /nfs/dbraw/zinc/19/73/72/343197372.db2.gz LDSSMRIFKSVPQN-UHFFFAOYSA-N 0 0 206.270 2.304 10 0 BEAERN CCOC(=O)c1ccc(Cl)nc1CC ZINC000140633788 343197525 /nfs/dbraw/zinc/19/75/25/343197525.db2.gz UYUFKTKVNDNOKT-UHFFFAOYSA-N 0 0 213.664 2.474 10 0 BEAERN Cc1cc2c(nc(-c3ccccc3)[nH]c2=O)[nH]1 ZINC000143395640 343197588 /nfs/dbraw/zinc/19/75/88/343197588.db2.gz YTFFLHHAMAZOPR-UHFFFAOYSA-N 0 0 225.251 2.227 10 0 BEAERN CC(C)=CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046495365 343224019 /nfs/dbraw/zinc/22/40/19/343224019.db2.gz ZAURKCXQHAHYLJ-NWDGAFQWSA-N 0 0 223.316 2.123 10 0 BEAERN CCOC(=O)COc1ccc(O)c2ccccc12 ZINC000165760257 343228880 /nfs/dbraw/zinc/22/88/80/343228880.db2.gz ANFFZWFPYDSSCI-UHFFFAOYSA-N 0 0 246.262 2.487 10 0 BEAERN CCc1cc2ccc(OC)cc2nc1N ZINC000032099277 343229600 /nfs/dbraw/zinc/22/96/00/343229600.db2.gz HMLDOJOQQLZVEO-UHFFFAOYSA-N 0 0 202.257 2.388 10 0 BEAERN CCCCSC1=CS(=O)(=O)CC1 ZINC000032105109 343230050 /nfs/dbraw/zinc/23/00/50/343230050.db2.gz HKPCMRPNSKINHP-UHFFFAOYSA-N 0 0 206.332 2.180 10 0 BEAERN CC1(CNC(=O)NC[C@]2(C)CCCO2)CCC1 ZINC000122060686 136278169 /nfs/dbraw/zinc/27/81/69/136278169.db2.gz YUZTXIYSRIMYCC-ZDUSSCGKSA-N 0 0 240.347 2.045 10 0 BEAERN COC(=O)c1cc(Cl)c(N)c2c1OCCC2 ZINC000138863159 343249938 /nfs/dbraw/zinc/24/99/38/343249938.db2.gz CLGRRGRIKFRYRY-UHFFFAOYSA-N 0 0 241.674 2.034 10 0 BEAERN CCc1cc(CC)c(O)c(C(C)=O)c1O ZINC000033506357 343255769 /nfs/dbraw/zinc/25/57/69/343255769.db2.gz NAIUVEYPIKQZIB-UHFFFAOYSA-N 0 0 208.257 2.425 10 0 BEAERN Cc1nc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)n[nH]1 ZINC000163784547 136288917 /nfs/dbraw/zinc/28/89/17/136288917.db2.gz ZWMDRJOHYVEQIQ-QWRGUYRKSA-N 0 0 248.330 2.268 10 0 BEAERN C[C@H]1Cc2nc[nH]c2[C@H](c2ccccc2)[NH2+]1 ZINC000238468508 343257459 /nfs/dbraw/zinc/25/74/59/343257459.db2.gz HPBPDFQEUXPCQU-CABZTGNLSA-N 0 0 213.284 2.033 10 0 BEAERN CC(C)COc1nc2c(cc1C(N)=O)CCCC2 ZINC000033895404 343262552 /nfs/dbraw/zinc/26/25/52/343262552.db2.gz ISYGCRPSLLZAFQ-UHFFFAOYSA-N 0 0 248.326 2.094 10 0 BEAERN O=C(Oc1ccc(O)cc1)c1ccc(O)cc1 ZINC000033949338 343262937 /nfs/dbraw/zinc/26/29/37/343262937.db2.gz OQBPCYUKFSJTDU-UHFFFAOYSA-N 0 0 230.219 2.317 10 0 in-vitro BEAERN CCOC(=O)[C@@H]1CCC(c2ccccc2)=N1 ZINC000034116824 343264807 /nfs/dbraw/zinc/26/48/07/343264807.db2.gz JZOJNMJUFNGUBH-LBPRGKRZSA-N 0 0 217.268 2.201 10 0 BEAERN Ic1ccc([C@@H]2CO2)cc1 ZINC000034184455 343266027 /nfs/dbraw/zinc/26/60/27/343266027.db2.gz KMCIOYBQDJMMFP-QMMMGPOBSA-N 0 0 246.047 2.363 10 0 BEAERN Nc1cc(Cl)cc2c(Cl)n[nH]c21 ZINC000034455394 343271117 /nfs/dbraw/zinc/27/11/17/343271117.db2.gz PNIQPYVWLRAQKU-UHFFFAOYSA-N 0 0 202.044 2.452 10 0 BEAERN C[C@@H](CO)CC1=CC(=O)c2ccccc2C1=O ZINC000034444874 343271282 /nfs/dbraw/zinc/27/12/82/343271282.db2.gz SQMRKSMJZRUGEE-SECBINFHSA-N 0 0 230.263 2.011 10 0 BEAERN C[C@@H]1CC(=O)Nc2cc(Cl)ccc2N1 ZINC000034476264 343272119 /nfs/dbraw/zinc/27/21/19/343272119.db2.gz MLNJBEDBXIHZNJ-ZCFIWIBFSA-N 0 0 210.664 2.483 10 0 BEAERN Nc1[nH]nc2cc(-c3ccccc3)ncc21 ZINC000034583584 343275570 /nfs/dbraw/zinc/27/55/70/343275570.db2.gz YIIGBGASUZHSAV-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN CCOC(OCC)C(=O)Cc1ccc(F)cc1 ZINC000034614543 343276247 /nfs/dbraw/zinc/27/62/47/343276247.db2.gz GGMBOFNNEPZCRU-UHFFFAOYSA-N 0 0 240.274 2.336 10 0 BEAERN COc1cc(N)cc(OC[C@@H]2CCCCO2)c1 ZINC000034639036 343276343 /nfs/dbraw/zinc/27/63/43/343276343.db2.gz JZHVULPXKNXMKA-NSHDSACASA-N 0 0 237.299 2.225 10 0 BEAERN Cc1cc(C)nc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000035216626 343290239 /nfs/dbraw/zinc/29/02/39/343290239.db2.gz YPENGMHRMKPHEB-WDEREUQCSA-N 0 0 221.304 2.073 10 0 BEAERN CC[C@H](O)[C@H](O)c1ccc(Cl)cc1F ZINC000234072313 343321058 /nfs/dbraw/zinc/32/10/58/343321058.db2.gz OMROUGDRGSJGSC-VHSXEESVSA-N 0 0 218.655 2.283 10 0 BEAERN COc1ccc(F)cc1[C@H]1CCC[C@H]1O ZINC000134192238 259357530 /nfs/dbraw/zinc/35/75/30/259357530.db2.gz CUVDNZLWSOKJAJ-MWLCHTKSSA-N 0 0 210.248 2.463 10 0 BEAERN Cn1cc(Cc2c[nH]cn2)c2cc(N)ccc21 ZINC000147239628 343358636 /nfs/dbraw/zinc/35/86/36/343358636.db2.gz WDJWXSJIIBFFNM-UHFFFAOYSA-N 0 0 226.283 2.074 10 0 BEAERN C[C@]1(c2nnc(Cl)o2)CCCS1 ZINC000157772492 343363452 /nfs/dbraw/zinc/36/34/52/343363452.db2.gz OESMMRVZIAATCP-SSDOTTSWSA-N 0 0 204.682 2.465 10 0 BEAERN COCc1ccc(N)cc1Br ZINC000037460517 343345809 /nfs/dbraw/zinc/34/58/09/343345809.db2.gz YIOYPCPKPAPGOP-UHFFFAOYSA-N 0 0 216.078 2.178 10 0 BEAERN CN1c2ncccc2[C@@H](Cc2ccccc2)C1=O ZINC000038953863 343380815 /nfs/dbraw/zinc/38/08/15/343380815.db2.gz PRGXRAPTPSGGIP-CYBMUJFWSA-N 0 0 238.290 2.384 10 0 BEAERN C[C@H](NC(=O)NCC1CCCC1)[C@H]1CCCO1 ZINC000078936243 343381832 /nfs/dbraw/zinc/38/18/32/343381832.db2.gz IFCBCEOUVLASHF-CMPLNLGQSA-N 0 0 240.347 2.043 10 0 BEAERN CCOc1cc(C=O)c(F)c(OCC)c1 ZINC000039099865 343383646 /nfs/dbraw/zinc/38/36/46/343383646.db2.gz OYCLQASKFSNEGR-UHFFFAOYSA-N 0 0 212.220 2.436 10 0 BEAERN Cc1nc(N)cc(Nc2ccccc2C)n1 ZINC000039109474 343384866 /nfs/dbraw/zinc/38/48/66/343384866.db2.gz XVHJIHHTXUORSA-UHFFFAOYSA-N 0 0 214.272 2.419 10 0 BEAERN CS[C@H](C)N(C)CCOC1(C)CC1 ZINC000039105207 343384914 /nfs/dbraw/zinc/38/49/14/343384914.db2.gz ZGEISOMTPYABLN-SECBINFHSA-N 0 0 203.351 2.196 10 0 BEAERN O=[N+]([O-])/C=C/c1cnc2ccccc2c1 ZINC000039117549 343385434 /nfs/dbraw/zinc/38/54/34/343385434.db2.gz YIBJFRUTOAWUEF-AATRIKPKSA-N 0 0 200.197 2.482 10 0 BEAERN CCN(C(C)=S)C(=O)c1ccccc1 ZINC000039124766 343385739 /nfs/dbraw/zinc/38/57/39/343385739.db2.gz DQPGUVWCMJNXQE-UHFFFAOYSA-N 0 0 207.298 2.496 10 0 BEAERN O=C(Nc1cncc(F)c1)N1C[C@H]2CCC[C@@H]21 ZINC000335687502 136323634 /nfs/dbraw/zinc/32/36/34/136323634.db2.gz BLPPWLIADKUQTD-KCJUWKMLSA-N 0 0 235.262 2.237 10 0 BEAERN CC[C@H]1OCC[C@@H]1C(=O)c1cccnc1 ZINC000234118279 343389531 /nfs/dbraw/zinc/38/95/31/343389531.db2.gz OVMPLANLJZDFMI-WDEREUQCSA-N 0 0 205.257 2.079 10 0 BEAERN O=C(Oc1ccc(O)cc1)c1ccccc1O ZINC000039439098 343390063 /nfs/dbraw/zinc/39/00/63/343390063.db2.gz UFNKAYBBJKLRIW-UHFFFAOYSA-N 0 0 230.219 2.317 10 0 BEAERN CCOc1cc2c(c(C=O)c1)O[C@H](C)C2 ZINC000039947657 343393579 /nfs/dbraw/zinc/39/35/79/343393579.db2.gz FKJFDKPQBHBNIH-MRVPVSSYSA-N 0 0 206.241 2.221 10 0 BEAERN O=c1c(Br)c[nH]c2ccc(F)cc12 ZINC000041701993 343423145 /nfs/dbraw/zinc/42/31/45/343423145.db2.gz QSPBBVCQEYHYBA-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN CC[C@H]1OCC[C@H]1c1nc(Br)no1 ZINC000234124211 343424571 /nfs/dbraw/zinc/42/45/71/343424571.db2.gz MCUPVDHJLNMXHN-PHDIDXHHSA-N 0 0 247.092 2.115 10 0 BEAERN CC(C)C(=O)Nc1cnc(-c2cccnc2)nc1 ZINC000097938647 343401336 /nfs/dbraw/zinc/40/13/36/343401336.db2.gz OFNGDEHCCQFGBG-UHFFFAOYSA-N 0 0 242.282 2.133 10 0 BEAERN C[C@H](Nc1cccc(F)n1)[C@H]1CCCO1 ZINC000040712113 343408386 /nfs/dbraw/zinc/40/83/86/343408386.db2.gz PHLFDFHPFVWECG-DTWKUNHWSA-N 0 0 210.252 2.200 10 0 BEAERN C/C=C\CN[C@H](C(=O)OC)c1ccccc1 ZINC000220027053 343411960 /nfs/dbraw/zinc/41/19/60/343411960.db2.gz BQGXAGICAJOLMH-MVZIDQBPSA-N 0 0 219.284 2.066 10 0 BEAERN C[C@H](CC(N)=O)c1ccc(Br)cc1 ZINC000041286255 343418618 /nfs/dbraw/zinc/41/86/18/343418618.db2.gz VRPMKKZTRHKBKE-SSDOTTSWSA-N 0 0 242.116 2.428 10 0 BEAERN CC[C@H]1OCC[C@H]1c1nnc(Cl)s1 ZINC000234127396 343424620 /nfs/dbraw/zinc/42/46/20/343424620.db2.gz PQAXPYITMIAOCB-PHDIDXHHSA-N 0 0 218.709 2.474 10 0 BEAERN O=C1[C@H]2CCCN2C(=O)N1[C@@H]1CCC12CCCC2 ZINC000335716021 136339223 /nfs/dbraw/zinc/33/92/23/136339223.db2.gz LZDKLJHWUZLBLA-GHMZBOCLSA-N 0 0 248.326 2.136 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOCC2(CC2)C1 ZINC000335716990 136339355 /nfs/dbraw/zinc/33/93/55/136339355.db2.gz NMJAALAKXUDQNC-RYUDHWBXSA-N 0 0 237.343 2.062 10 0 BEAERN Cc1ccc(-c2nc3c(c(=O)[nH]2)CCC3)cc1F ZINC000042401084 343436234 /nfs/dbraw/zinc/43/62/34/343436234.db2.gz NOXABLGQPZFBDR-UHFFFAOYSA-N 0 0 244.269 2.373 10 0 BEAERN Cc1ccc2oc(-c3nnc(N)o3)cc2c1 ZINC000042893478 343456553 /nfs/dbraw/zinc/45/65/53/343456553.db2.gz TZBHUDJZYWMQOX-UHFFFAOYSA-N 0 0 215.212 2.373 10 0 BEAERN CCCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000048850401 136372828 /nfs/dbraw/zinc/37/28/28/136372828.db2.gz VUSSPBAFINQCTQ-VIFPVBQESA-N 0 0 210.277 2.358 10 0 BEAERN CCOC(=O)c1cc(CC)nc(C2CC2)n1 ZINC000261127436 349814782 /nfs/dbraw/zinc/81/47/82/349814782.db2.gz LDFLZILRVALTCU-UHFFFAOYSA-N 0 0 220.272 2.093 10 0 BEAERN Cc1ccc([C@@H](C)NC(=O)c2cn[nH]c2)cc1F ZINC000094929742 343511099 /nfs/dbraw/zinc/51/10/99/343511099.db2.gz QXTQHIYWVXTIDB-SECBINFHSA-N 0 0 247.273 2.348 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cn[nH]c1 ZINC000616622692 343524337 /nfs/dbraw/zinc/52/43/37/343524337.db2.gz NSVVBYQXLZNEOL-SNVBAGLBSA-N 0 0 223.276 2.093 10 0 BEAERN CN1C[C@H](c2cocn2)Cc2ccccc21 ZINC000616669898 343534534 /nfs/dbraw/zinc/53/45/34/343534534.db2.gz JTGJDRAROFGMOG-LLVKDONJSA-N 0 0 214.268 2.451 10 0 BEAERN CCN1c2ccccc2CC[C@H]1C(C)=O ZINC000616670363 343535020 /nfs/dbraw/zinc/53/50/20/343535020.db2.gz OPJXUOVLBFLYNJ-LBPRGKRZSA-N 0 0 203.285 2.417 10 0 BEAERN CC[C@](C)(OC)c1nnc(Cl)s1 ZINC000234158065 343499849 /nfs/dbraw/zinc/49/98/49/343499849.db2.gz DHEPCOZLFAXWMS-ZETCQYMHSA-N 0 0 206.698 2.463 10 0 BEAERN C[C@H]1CSCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000379532905 343571837 /nfs/dbraw/zinc/57/18/37/343571837.db2.gz SJMRSUIEVUZBED-WISYIIOYSA-N 0 0 239.384 2.244 10 0 BEAERN Nc1cc(Cl)ccc1O[C@H]1CC[C@H](O)C1 ZINC000203993073 343553883 /nfs/dbraw/zinc/55/38/83/343553883.db2.gz VDVPKUCZXPCBJE-IUCAKERBSA-N 0 0 227.691 2.214 10 0 BEAERN O=C1Cc2ccccc2C[C@H]2CCCCN12 ZINC000165458332 343556233 /nfs/dbraw/zinc/55/62/33/343556233.db2.gz IRGBUTCNBQXEPF-CYBMUJFWSA-N 0 0 215.296 2.166 10 0 BEAERN O[C@@H](c1ccc(-c2cnco2)nc1)C(F)(F)F ZINC000204208703 343561305 /nfs/dbraw/zinc/56/13/05/343561305.db2.gz UAZAZMVBFZDIKU-VIFPVBQESA-N 0 0 244.172 2.332 10 0 BEAERN COc1cc(N2CCC[C@H]2c2ccco2)ncn1 ZINC000124848209 343586350 /nfs/dbraw/zinc/58/63/50/343586350.db2.gz MEASRMZAEOBPPV-JTQLQIEISA-N 0 0 245.282 2.420 10 0 BEAERN COc1ccccc1Cc1ccncn1 ZINC000204736488 343587272 /nfs/dbraw/zinc/58/72/72/343587272.db2.gz UNHRXYYAMZUUKU-UHFFFAOYSA-N 0 0 200.241 2.076 10 0 BEAERN CCOC(=O)c1ccc2c(ccnc2NC)c1 ZINC000167310225 343591422 /nfs/dbraw/zinc/59/14/22/343591422.db2.gz MLFIXLDZQGSOAX-UHFFFAOYSA-N 0 0 230.267 2.453 10 0 BEAERN Nc1[nH]c(=S)nc2c1cnn2-c1ccccc1 ZINC000049474052 343599733 /nfs/dbraw/zinc/59/97/33/343599733.db2.gz LFCNJFXHMOBQLF-UHFFFAOYSA-N 0 0 243.295 2.060 10 0 BEAERN COCc1cccc(NCc2nccn2C)c1 ZINC000049507918 343600859 /nfs/dbraw/zinc/60/08/59/343600859.db2.gz RHPNZOOSXDIXRI-UHFFFAOYSA-N 0 0 231.299 2.179 10 0 BEAERN COC(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000261260518 349820652 /nfs/dbraw/zinc/82/06/52/349820652.db2.gz FDYCOKDADVMDFM-UHFFFAOYSA-N 0 0 217.224 2.437 10 0 BEAERN Nc1[nH]nc2cnc(-c3ccccc3)cc21 ZINC000013489632 346949544 /nfs/dbraw/zinc/94/95/44/346949544.db2.gz LZRFNYHUQSRPCO-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN CCOC(=O)c1cnc(N[C@H]2C[C@@H]2C)s1 ZINC000309067288 349825220 /nfs/dbraw/zinc/82/52/20/349825220.db2.gz AFYOBKXDGPHAIP-BQBZGAKWSA-N 0 0 226.301 2.140 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC12CCC2 ZINC000335866364 344035951 /nfs/dbraw/zinc/03/59/51/344035951.db2.gz XQSQAYSENDWJSE-NWDGAFQWSA-N 0 0 237.343 2.347 10 0 BEAERN CC[C@@H]1CCC[C@@]2(C1)O[C@]2(Cl)C(=O)OC ZINC000300032152 537801241 /nfs/dbraw/zinc/80/12/41/537801241.db2.gz UVFFBHCJHZTPLG-DVVUODLYSA-N 0 0 232.707 2.464 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC12CCC2 ZINC000335866365 344036091 /nfs/dbraw/zinc/03/60/91/344036091.db2.gz XQSQAYSENDWJSE-RYUDHWBXSA-N 0 0 237.343 2.347 10 0 BEAERN CCOC(=O)CC1=CCCc2ncccc21 ZINC000205828807 343654263 /nfs/dbraw/zinc/65/42/63/343654263.db2.gz ZEDJKXCRYOZFBB-UHFFFAOYSA-N 0 0 217.268 2.364 10 0 BEAERN COC1CC(Nc2cccnc2Cl)C1 ZINC000234773139 343654900 /nfs/dbraw/zinc/65/49/00/343654900.db2.gz LZMZOUAYDWKRAP-UHFFFAOYSA-N 0 0 212.680 2.324 10 0 BEAERN CC[C@@H]1CCCC[C@@]12O[C@]2(Cl)C(=O)OC ZINC000300028412 537802022 /nfs/dbraw/zinc/80/20/22/537802022.db2.gz MUFMKMLAROXLPA-FBIMIBRVSA-N 0 0 232.707 2.464 10 0 BEAERN CC(=O)c1cnc(C2CCOCC2)s1 ZINC000054159229 343656419 /nfs/dbraw/zinc/65/64/19/343656419.db2.gz MIJCYCCTHYNIER-UHFFFAOYSA-N 0 0 211.286 2.240 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000300033552 537802143 /nfs/dbraw/zinc/80/21/43/537802143.db2.gz XMZVUWNDONRARP-OEIWMXHLSA-N 0 0 232.707 2.320 10 0 BEAERN CC(C)SCC[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000379986544 343663252 /nfs/dbraw/zinc/66/32/52/343663252.db2.gz VGXGMEBAAFPOIR-LLVKDONJSA-N 0 0 231.361 2.067 10 0 BEAERN O=C(CCc1ccccc1)N[C@@H]1CCC[C@H](O)C1 ZINC000077102761 343665747 /nfs/dbraw/zinc/66/57/47/343665747.db2.gz KJTYDYJPXRBMPW-KGLIPLIRSA-N 0 0 247.338 2.039 10 0 BEAERN COCc1ccc(CNCc2cccc(C)n2)o1 ZINC000125892414 343668984 /nfs/dbraw/zinc/66/89/84/343668984.db2.gz YBHVSIKAURCCON-UHFFFAOYSA-N 0 0 246.310 2.419 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@@H](C)[C@H]2C ZINC000300022959 537802414 /nfs/dbraw/zinc/80/24/14/537802414.db2.gz BYNXMEHCICKOBH-HZQMYPQZSA-N 0 0 232.707 2.320 10 0 BEAERN CC[C@H]1CCC(O)=C(C(=O)C(F)F)C1 ZINC000043651545 343696784 /nfs/dbraw/zinc/69/67/84/343696784.db2.gz URZUCBXSIZETTK-NKWVEPMBSA-N 0 0 204.216 2.216 10 0 BEAERN Nc1c(Br)cnn1C1CCCC1 ZINC000043665951 343697269 /nfs/dbraw/zinc/69/72/69/343697269.db2.gz UOFBNMHPGOUQSE-UHFFFAOYSA-N 0 0 230.109 2.343 10 0 BEAERN CSc1cc(NCC(F)(F)F)ncn1 ZINC000235090066 343739600 /nfs/dbraw/zinc/73/96/00/343739600.db2.gz UVMIVHCDCNHKGS-UHFFFAOYSA-N 0 0 223.223 2.173 10 0 BEAERN CC[C@H](C)CN[C@@H](C(=O)OC)C(C)(C)C ZINC000119322082 343712479 /nfs/dbraw/zinc/71/24/79/343712479.db2.gz KBEORKMKQLKECG-UWVGGRQHSA-N 0 0 215.337 2.210 10 0 BEAERN CCN(c1ccccc1)[C@@H](C)C(=O)OC ZINC000059740914 343713089 /nfs/dbraw/zinc/71/30/89/343713089.db2.gz AGARURWYHMSWDA-JTQLQIEISA-N 0 0 207.273 2.074 10 0 BEAERN CN(C)Nc1c(Cl)cc(N)cc1Cl ZINC000234245723 343747903 /nfs/dbraw/zinc/74/79/03/343747903.db2.gz NNAFASJIPPSYKO-UHFFFAOYSA-N 0 0 220.103 2.464 10 0 BEAERN CCCCOC[C@@H](O)CSC[C@@H]1CCCO1 ZINC000309123300 346969149 /nfs/dbraw/zinc/96/91/49/346969149.db2.gz ZRDWQJSLGWMHBK-NEPJUHHUSA-N 0 0 248.388 2.076 10 0 BEAERN CSCCCCNC(=O)CC(F)(F)F ZINC000126149861 343754030 /nfs/dbraw/zinc/75/40/30/343754030.db2.gz FNZOPZAAYLZYJA-UHFFFAOYSA-N 0 0 229.267 2.198 10 0 BEAERN O=C1CCCN(c2ccc(-n3cccn3)cc2)C1 ZINC000208819885 343761451 /nfs/dbraw/zinc/76/14/51/343761451.db2.gz RCOATHNNQSDXLT-UHFFFAOYSA-N 0 0 241.294 2.042 10 0 BEAERN O[C@H](CNc1cc(Cl)ncn1)c1ccccc1 ZINC000048631227 343782164 /nfs/dbraw/zinc/78/21/64/343782164.db2.gz JSGXBBPPOXZKRC-SNVBAGLBSA-N 0 0 249.701 2.276 10 0 BEAERN CC(C)OCCCNc1ccnc(Cl)n1 ZINC000308975637 343790645 /nfs/dbraw/zinc/79/06/45/343790645.db2.gz GNTXOAWZBVFDML-UHFFFAOYSA-N 0 0 229.711 2.357 10 0 BEAERN O=c1ccc(NCc2ccccc2Cl)n[nH]1 ZINC000309598248 343790717 /nfs/dbraw/zinc/79/07/17/343790717.db2.gz VNFAAPJXCPMRNC-UHFFFAOYSA-N 0 0 235.674 2.035 10 0 BEAERN Cc1ccc([C@H]2C[C@H](C(=O)[O-])C[N@H+]2C)cc1 ZINC000212764812 343792004 /nfs/dbraw/zinc/79/20/04/343792004.db2.gz PMZAEKUGYPJACC-NWDGAFQWSA-N 0 0 219.284 2.072 10 0 BEAERN Oc1cc(Cl)c2c(c1)OCCCO2 ZINC000214251784 343792648 /nfs/dbraw/zinc/79/26/48/343792648.db2.gz PSINLVXPGMYLPQ-UHFFFAOYSA-N 0 0 200.621 2.207 10 0 BEAERN O=Cc1cc(F)ccc1-c1cncnc1 ZINC000236174446 343795299 /nfs/dbraw/zinc/79/52/99/343795299.db2.gz IJKFCHWMMUOYSH-UHFFFAOYSA-N 0 0 202.188 2.095 10 0 BEAERN Clc1nc(C2CC2)nc2c1COCC2 ZINC000236069139 343795380 /nfs/dbraw/zinc/79/53/80/343795380.db2.gz RXQXGWGFKBICPH-UHFFFAOYSA-N 0 0 210.664 2.080 10 0 BEAERN Cn1nccc1-c1ccc(F)cc1C=O ZINC000236092226 343795550 /nfs/dbraw/zinc/79/55/50/343795550.db2.gz GQPWPCJSQKYCGP-UHFFFAOYSA-N 0 0 204.204 2.039 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+]1CC=C(c2ccccc2)CC1 ZINC000409428385 343803021 /nfs/dbraw/zinc/80/30/21/343803021.db2.gz MWLSJUIBHXKFMJ-NSHDSACASA-N 0 0 231.295 2.249 10 0 BEAERN O=C([O-])C1CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC000409426643 343798571 /nfs/dbraw/zinc/79/85/71/343798571.db2.gz IJXCFITVECUFKC-VOMCLLRMSA-N 0 0 243.322 2.311 10 0 BEAERN O=C([O-])C1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000409423217 343814750 /nfs/dbraw/zinc/81/47/50/343814750.db2.gz MNLWNJIFHIFGTI-UHFFFAOYSA-N 0 0 247.285 2.361 10 0 BEAERN Cc1ncc2c(n1)-c1sccc1NCC2 ZINC000409423203 343814826 /nfs/dbraw/zinc/81/48/26/343814826.db2.gz AQBSFGOVXWKTKW-UHFFFAOYSA-N 0 0 217.297 2.482 10 0 BEAERN CCOC(=O)c1ccnc(C(C)(C)SC)n1 ZINC000327634361 537820892 /nfs/dbraw/zinc/82/08/92/537820892.db2.gz PTHLWUWPDHLWLA-UHFFFAOYSA-N 0 0 240.328 2.251 10 0 BEAERN CC(C)(C)OC(=O)Cc1ccc(C=O)cc1 ZINC000409432369 343826088 /nfs/dbraw/zinc/82/60/88/343826088.db2.gz NQKLGXRHURBCEI-UHFFFAOYSA-N 0 0 220.268 2.383 10 0 BEAERN COC[C@@H]1CN(c2ccccc2N)CC1(C)C ZINC000409432456 343826495 /nfs/dbraw/zinc/82/64/95/343826495.db2.gz LIXSHKFFSZJSOT-NSHDSACASA-N 0 0 234.343 2.378 10 0 BEAERN Cc1nc(N2CCCC[C@@H]2C)nc(C)c1N ZINC000409429153 343804659 /nfs/dbraw/zinc/80/46/59/343804659.db2.gz PPHXGBLZYLLQQX-QMMMGPOBSA-N 0 0 220.320 2.054 10 0 BEAERN CC1(CF)CCN(c2ncccc2N)CC1 ZINC000409429645 343806219 /nfs/dbraw/zinc/80/62/19/343806219.db2.gz HSSVZIVPIFXGLY-UHFFFAOYSA-N 0 0 223.295 2.240 10 0 BEAERN O=c1cc(-c2ccc(Br)o2)nc[nH]1 ZINC000409429993 343807135 /nfs/dbraw/zinc/80/71/35/343807135.db2.gz KIFXSHSWAAGWCV-UHFFFAOYSA-N 0 0 241.044 2.205 10 0 BEAERN O=C1CC(COc2cccc(C(F)(F)F)n2)C1 ZINC000409430712 343808692 /nfs/dbraw/zinc/80/86/92/343808692.db2.gz HNQNWUYLCGSRBL-UHFFFAOYSA-N 0 0 245.200 2.458 10 0 BEAERN OCc1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409442182 343857416 /nfs/dbraw/zinc/85/74/16/343857416.db2.gz XHHNMDBTVHGARX-UHFFFAOYSA-N 0 0 204.229 2.039 10 0 BEAERN C[C@@H](NN)c1csc(Br)c1 ZINC000127214842 344041506 /nfs/dbraw/zinc/04/15/06/344041506.db2.gz BPDUSRGURCFVTF-SCSAIBSYSA-N 0 0 221.123 2.035 10 0 BEAERN C[N@H+]([C@H]1CCSC1)C1CCC(C(=O)[O-])CC1 ZINC000409434397 343831618 /nfs/dbraw/zinc/83/16/18/343831618.db2.gz OZZXLKBKXQTDLF-ILDUYXDCSA-N 0 0 243.372 2.067 10 0 BEAERN Cn1nc(-c2cccnc2)c2c1CCSC2 ZINC000409438813 343845461 /nfs/dbraw/zinc/84/54/61/343845461.db2.gz MNLFOFRTAWTDLN-UHFFFAOYSA-N 0 0 231.324 2.271 10 0 BEAERN Cn1nc(-c2ccncc2)c2c1CCCC2 ZINC000409438883 343846080 /nfs/dbraw/zinc/84/60/80/343846080.db2.gz MVEVEVWOWPUAPX-UHFFFAOYSA-N 0 0 213.284 2.361 10 0 BEAERN O=c1cc(-c2ccsc2)n(CC2CC2)c(=O)[nH]1 ZINC000409439321 343847074 /nfs/dbraw/zinc/84/70/74/343847074.db2.gz QVJFQNYIVLZXIB-UHFFFAOYSA-N 0 0 248.307 2.087 10 0 BEAERN O=Cc1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409439522 343847368 /nfs/dbraw/zinc/84/73/68/343847368.db2.gz ITZRIIAHLRRCFY-UHFFFAOYSA-N 0 0 202.213 2.360 10 0 BEAERN CCn1nc(C(F)(F)F)c2c1CCC2 ZINC000409439702 343848027 /nfs/dbraw/zinc/84/80/27/343848027.db2.gz QGKJTEDDVCVEKF-UHFFFAOYSA-N 0 0 204.195 2.411 10 0 BEAERN OCCc1c(-c2ccco2)n[nH]c1C1CC1 ZINC000409437828 343849003 /nfs/dbraw/zinc/84/90/03/343849003.db2.gz AISXFEIJHDJJOS-UHFFFAOYSA-N 0 0 218.256 2.082 10 0 BEAERN CC(C)c1cc(-c2ccccn2)nn1CCO ZINC000409438268 343850261 /nfs/dbraw/zinc/85/02/61/343850261.db2.gz BZAIYZYSVCMBBP-UHFFFAOYSA-N 0 0 231.299 2.061 10 0 BEAERN CC1(C)C[C@@H](n2cccc2C=O)CCO1 ZINC000215408407 349878361 /nfs/dbraw/zinc/87/83/61/349878361.db2.gz GHXYUDKUGQWIGQ-JTQLQIEISA-N 0 0 207.273 2.431 10 0 BEAERN O=Cc1c(C2CC2)n[nH]c1-c1ccccn1 ZINC000409440225 343851013 /nfs/dbraw/zinc/85/10/13/343851013.db2.gz LPJUVJUNNRXGKC-UHFFFAOYSA-N 0 0 213.240 2.162 10 0 BEAERN COC(=O)[C@H](C)n1cc(-c2cccs2)cn1 ZINC000409440182 343851064 /nfs/dbraw/zinc/85/10/64/343851064.db2.gz SGOCPGAFIYVJGQ-QMMMGPOBSA-N 0 0 236.296 2.346 10 0 BEAERN COC(=O)c1cc(-c2ccccc2)nc(C)n1 ZINC000575622682 343877671 /nfs/dbraw/zinc/87/76/71/343877671.db2.gz PTXJVXZTRPNWAE-UHFFFAOYSA-N 0 0 228.251 2.239 10 0 BEAERN COC(=N)CCc1c[nH]nc1C1CCC1 ZINC000409442399 343857795 /nfs/dbraw/zinc/85/77/95/343857795.db2.gz ZJFPTPKCMOAXAG-UHFFFAOYSA-N 0 0 207.277 2.233 10 0 BEAERN CC(C)Cc1n[nH]c(C2CCOCC2)c1C=O ZINC000409442334 343858049 /nfs/dbraw/zinc/85/80/49/343858049.db2.gz YYDFCWSGCRQXIG-UHFFFAOYSA-N 0 0 236.315 2.315 10 0 BEAERN NCc1nc([C@@H](C2CCCC2)n2cccc2)no1 ZINC000409441856 343861661 /nfs/dbraw/zinc/86/16/61/343861661.db2.gz RUYIPHMYNXRSPC-GFCCVEGCSA-N 0 0 246.314 2.109 10 0 BEAERN OCc1cc(-c2cccs2)nn1C(F)F ZINC000409443720 343862812 /nfs/dbraw/zinc/86/28/12/343862812.db2.gz SKBFKGONVLERQU-UHFFFAOYSA-N 0 0 230.239 2.499 10 0 BEAERN OCc1cc(-c2ccsc2)nn1CCF ZINC000409443970 343864052 /nfs/dbraw/zinc/86/40/52/343864052.db2.gz XOYWELHPAZLZHF-UHFFFAOYSA-N 0 0 226.276 2.073 10 0 BEAERN OCc1cc(-c2ccsc2)nn1C(F)F ZINC000409443339 343867093 /nfs/dbraw/zinc/86/70/93/343867093.db2.gz LJDMZBUHUIRDGZ-UHFFFAOYSA-N 0 0 230.239 2.499 10 0 BEAERN COC(=O)c1cc(-c2cccs2)nc(C)n1 ZINC000575622136 343868898 /nfs/dbraw/zinc/86/88/98/343868898.db2.gz HDJRZBFDOGJWTM-UHFFFAOYSA-N 0 0 234.280 2.300 10 0 BEAERN Nc1cc(CCCc2ccccc2)ncn1 ZINC000575622261 343868921 /nfs/dbraw/zinc/86/89/21/343868921.db2.gz NDJKXPZILOWKFL-UHFFFAOYSA-N 0 0 213.284 2.064 10 0 BEAERN Cc1nc(N)cc(CC2CCCCC2)n1 ZINC000575621972 343870168 /nfs/dbraw/zinc/87/01/68/343870168.db2.gz HBUMQVSRADMHHX-UHFFFAOYSA-N 0 0 205.305 2.320 10 0 BEAERN CCOC(=O)c1noc([C@@H](C)C(C)C)n1 ZINC000069691103 537831136 /nfs/dbraw/zinc/83/11/36/537831136.db2.gz MTJKBTVUGZYGRB-ZETCQYMHSA-N 0 0 212.249 2.006 10 0 BEAERN Nc1cc(Cc2ccccc2)nc(C2CC2)n1 ZINC000575621889 343870267 /nfs/dbraw/zinc/87/02/67/343870267.db2.gz DPDDFDLGHHBEOS-UHFFFAOYSA-N 0 0 225.295 2.357 10 0 BEAERN CO[C@@H]1CCC[C@H](n2cc(Cl)c(N)n2)C1 ZINC000069848533 537834757 /nfs/dbraw/zinc/83/47/57/537834757.db2.gz MOMXIUPNUJERJQ-JGVFFNPUSA-N 0 0 229.711 2.249 10 0 BEAERN CN(Cc1ccccc1)c1cc(N)ns1 ZINC000234303649 343938285 /nfs/dbraw/zinc/93/82/85/343938285.db2.gz IOSPSOYDKNIZET-UHFFFAOYSA-N 0 0 219.313 2.362 10 0 BEAERN CC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000072381425 192367963 /nfs/dbraw/zinc/36/79/63/192367963.db2.gz VQAMXQZBJGXCKN-UHFFFAOYSA-N 0 0 224.329 2.177 10 0 BEAERN C/C(=C\C(=O)[O-])C[N@@H+]1CCCC(C)(C)C1 ZINC000069793507 343943194 /nfs/dbraw/zinc/94/31/94/343943194.db2.gz GYYFKAWMCKVUGD-JXMROGBWSA-N 0 0 211.305 2.139 10 0 BEAERN CSc1cc(N2CCCCC2)ncn1 ZINC000038925240 343943334 /nfs/dbraw/zinc/94/33/34/343943334.db2.gz OFKQEWKNBBJNAA-UHFFFAOYSA-N 0 0 209.318 2.189 10 0 BEAERN CC(C)[C@](C)(O)c1cc(Cl)cnc1N ZINC000069943281 343944443 /nfs/dbraw/zinc/94/44/43/343944443.db2.gz SJEDQRXPKDZQRR-JTQLQIEISA-N 0 0 214.696 2.181 10 0 BEAERN O=C1CCc2c1cnn2-c1ccc(F)cc1 ZINC000166808618 343917132 /nfs/dbraw/zinc/91/71/32/343917132.db2.gz HOHZHPYUYKNMRR-UHFFFAOYSA-N 0 0 216.215 2.140 10 0 BEAERN Cc1c(N)nsc1N(C)CC1CCC1 ZINC000234274276 343933735 /nfs/dbraw/zinc/93/37/35/343933735.db2.gz WIURATSQNRISDK-UHFFFAOYSA-N 0 0 211.334 2.270 10 0 BEAERN Cc1cc(Br)c(F)cc1NN ZINC000135228486 343974228 /nfs/dbraw/zinc/97/42/28/343974228.db2.gz OBGHHTCBSJCBSE-UHFFFAOYSA-N 0 0 219.057 2.182 10 0 BEAERN Cc1nc(-c2noc(Cl)n2)cs1 ZINC000126735053 344043246 /nfs/dbraw/zinc/04/32/46/344043246.db2.gz AZUIJNVLGINHCP-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN CCOC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000070250245 343950229 /nfs/dbraw/zinc/95/02/29/343950229.db2.gz ABVJDULYNRZLGA-LLVKDONJSA-N 0 0 220.272 2.375 10 0 BEAERN Clc1nccn2c1nnc2[C@@H]1CCCS1 ZINC000070616337 343953040 /nfs/dbraw/zinc/95/30/40/343953040.db2.gz DRLLHXMBZIBTNL-LURJTMIESA-N 0 0 240.719 2.346 10 0 BEAERN Brc1nnc([C@@H]2CCCOC2)s1 ZINC000071051764 343959287 /nfs/dbraw/zinc/95/92/87/343959287.db2.gz FKAUFTRDPFGWTN-RXMQYKEDSA-N 0 0 249.133 2.195 10 0 BEAERN COC[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000135192880 343964764 /nfs/dbraw/zinc/96/47/64/343964764.db2.gz GGMJPGAUEMSQSN-LOWDOPEQSA-N 0 0 239.359 2.449 10 0 BEAERN NOC(F)(F)c1ccc(F)c(F)c1F ZINC000071618655 343965804 /nfs/dbraw/zinc/96/58/04/343965804.db2.gz BIORUFDQLOIPOD-UHFFFAOYSA-N 0 0 213.105 2.044 10 0 BEAERN Brc1nnc([C@@H]2CCCS2)o1 ZINC000157865870 344057186 /nfs/dbraw/zinc/05/71/86/344057186.db2.gz DESMYFIDSAQWMH-BYPYZUCNSA-N 0 0 235.106 2.400 10 0 BEAERN CCc1nc(CN2[C@@H](C)COC[C@@H]2C)cs1 ZINC000077368067 344068197 /nfs/dbraw/zinc/06/81/97/344068197.db2.gz XXSZJFIASDFTRR-UWVGGRQHSA-N 0 0 240.372 2.315 10 0 BEAERN O=C1C[C@@H](CSc2ccccc2)CO1 ZINC000214947243 344110956 /nfs/dbraw/zinc/11/09/56/344110956.db2.gz IBSPWFBBSPWJEO-SECBINFHSA-N 0 0 208.282 2.342 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641299597 362351341 /nfs/dbraw/zinc/35/13/41/362351341.db2.gz UTMOIUWHBNQMPW-GHMZBOCLSA-N 0 0 233.315 2.069 10 0 BEAERN O=C1CN(C2CC2)C(=O)N1[C@@H]1CCC12CCCC2 ZINC000335913472 344084882 /nfs/dbraw/zinc/08/48/82/344084882.db2.gz TXJXSYPBMPCAGT-LLVKDONJSA-N 0 0 248.326 2.136 10 0 BEAERN Cc1csc(Sc2ncc(C=O)cn2)n1 ZINC000126766329 344096235 /nfs/dbraw/zinc/09/62/35/344096235.db2.gz CWQZQWIXTXHNMR-UHFFFAOYSA-N 0 0 237.309 2.205 10 0 BEAERN Cc1nc([C@@H]2NC[C@H](C)S2)cs1 ZINC000126781767 344099735 /nfs/dbraw/zinc/09/97/35/344099735.db2.gz BQRPVBWGSFSVFZ-YLWLKBPMSA-N 0 0 200.332 2.175 10 0 BEAERN COCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000306286817 344099973 /nfs/dbraw/zinc/09/99/73/344099973.db2.gz FAHMQVQVOZYGFD-JTQLQIEISA-N 0 0 229.320 2.422 10 0 BEAERN O[C@@H](C[C@@H]1CO1)c1ccccc1Br ZINC000616569369 344170616 /nfs/dbraw/zinc/17/06/16/344170616.db2.gz IUUUNBXDMXUBKF-XCBNKYQSSA-N 0 0 243.100 2.271 10 0 BEAERN O=C1C[C@H](SCc2ccccc2)CO1 ZINC000215307822 344122050 /nfs/dbraw/zinc/12/20/50/344122050.db2.gz WUHDSHHCRGZIJB-JTQLQIEISA-N 0 0 208.282 2.235 10 0 BEAERN CC(=O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000215937043 344135435 /nfs/dbraw/zinc/13/54/35/344135435.db2.gz IUHPFXYWTFPTBL-JTQLQIEISA-N 0 0 216.639 2.492 10 0 BEAERN C[C@@H]1OCC[C@@]1(CO)Cc1ccsc1 ZINC000127328215 344140648 /nfs/dbraw/zinc/14/06/48/344140648.db2.gz XKGPFKYNZZVZMI-ONGXEEELSA-N 0 0 212.314 2.078 10 0 BEAERN Cc1occc1Sc1ccc(N)nn1 ZINC000235861076 344149663 /nfs/dbraw/zinc/14/96/63/344149663.db2.gz PEWPMHKBEYISCK-UHFFFAOYSA-N 0 0 207.258 2.111 10 0 BEAERN CCOC(=O)CC[C@@H]1Cc2ccccc2C1=O ZINC000216577854 344150199 /nfs/dbraw/zinc/15/01/99/344150199.db2.gz HUIIWHHIVFGHTO-LLVKDONJSA-N 0 0 232.279 2.385 10 0 BEAERN CC(C)(C)N(C(=O)[O-])C1CC2(C1)CC[NH2+]CC2 ZINC000215639041 349904933 /nfs/dbraw/zinc/90/49/33/349904933.db2.gz OBYIMJBNSUMRTP-UHFFFAOYSA-N 0 0 240.347 2.297 10 0 BEAERN O=C1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000127347907 344235933 /nfs/dbraw/zinc/23/59/33/344235933.db2.gz FTPUIVCMVQNCLB-VIFPVBQESA-N 0 0 204.273 2.056 10 0 BEAERN O[C@@H](C[C@H]1CO1)c1cccc(Br)c1 ZINC000616573226 344184809 /nfs/dbraw/zinc/18/48/09/344184809.db2.gz ZFXJAMRMPCWLCY-UWVGGRQHSA-N 0 0 243.100 2.271 10 0 BEAERN CC[C@H](Nc1cc(C(=O)OC)ncn1)C(C)C ZINC000603279995 349906197 /nfs/dbraw/zinc/90/61/97/349906197.db2.gz JNQXNUAMVAAPPE-VIFPVBQESA-N 0 0 237.303 2.110 10 0 BEAERN COC(=O)c1cccc(C=O)c1OC(F)(F)F ZINC000616575295 344190869 /nfs/dbraw/zinc/19/08/69/344190869.db2.gz BWJDLVWWNJMFHE-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN COc1cc(C2=CCN(C(C)=O)CC2)ccc1O ZINC000026940013 344205673 /nfs/dbraw/zinc/20/56/73/344205673.db2.gz JXZNMXKUSHMRCH-UHFFFAOYSA-N 0 0 247.294 2.036 10 0 BEAERN Clc1nnc(-c2cncs2)s1 ZINC000236080286 344296287 /nfs/dbraw/zinc/29/62/87/344296287.db2.gz IHIYGCVXKCPQAN-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN Cn1cnc([C@@H](O)c2ccc(Cl)s2)c1 ZINC000236099730 344296329 /nfs/dbraw/zinc/29/63/29/344296329.db2.gz GMSJAEKVIGFIDP-SECBINFHSA-N 0 0 228.704 2.217 10 0 BEAERN CN(C)Cc1cnc(Cl)cc1Cl ZINC000165989427 344268469 /nfs/dbraw/zinc/26/84/69/344268469.db2.gz HGIWYKPLGJNBAI-UHFFFAOYSA-N 0 0 205.088 2.450 10 0 BEAERN COc1cc(N)cc(C(F)(F)F)c1C(C)=O ZINC000309372972 347043471 /nfs/dbraw/zinc/04/34/71/347043471.db2.gz TXGQANNDVGIEDX-UHFFFAOYSA-N 0 0 233.189 2.499 10 0 BEAERN CCOC(=O)[C@H]1CCc2ccccc2N1CC ZINC000149426946 347043596 /nfs/dbraw/zinc/04/35/96/347043596.db2.gz HYLSALMVHDCSLG-CYBMUJFWSA-N 0 0 233.311 2.391 10 0 BEAERN CCCCOc1ccc(-c2cc(N)cnn2)cn1 ZINC000091366498 344279993 /nfs/dbraw/zinc/27/99/93/344279993.db2.gz NZRFJAFWKJCHAS-UHFFFAOYSA-N 0 0 244.298 2.300 10 0 BEAERN O=c1cc(-c2cc(Cl)sc2Cl)[n-][nH]1 ZINC000236045477 344287168 /nfs/dbraw/zinc/28/71/68/344287168.db2.gz HNRNQVRLSFGNKZ-UHFFFAOYSA-N 0 0 235.095 2.279 10 0 BEAERN CN(C)C(=O)CCCCSC1CCOCC1 ZINC000131198178 344242993 /nfs/dbraw/zinc/24/29/93/344242993.db2.gz WCJNWYBJAYMTPO-UHFFFAOYSA-N 0 0 245.388 2.157 10 0 BEAERN Cc1nccc(N[C@@H]2CCc3cc(N)ccc32)n1 ZINC000094093060 344325948 /nfs/dbraw/zinc/32/59/48/344325948.db2.gz OIJNJXSLHNHCCK-CYBMUJFWSA-N 0 0 240.310 2.467 10 0 BEAERN c1ccn(Cc2cn3ccsc3n2)c1 ZINC000149431443 347046788 /nfs/dbraw/zinc/04/67/88/347046788.db2.gz ZRYUOXULMKTAOS-UHFFFAOYSA-N 0 0 203.270 2.246 10 0 BEAERN CCOC(=O)Cc1nc(C)ccc1Cl ZINC000238262378 344354283 /nfs/dbraw/zinc/35/42/83/344354283.db2.gz CKAYNTKGRINBRR-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN Nc1c(Cl)ccc(Cl)c1-c1nc[nH]n1 ZINC000236321294 344355101 /nfs/dbraw/zinc/35/51/01/344355101.db2.gz HFWASIHSUXGZPK-UHFFFAOYSA-N 0 0 229.070 2.361 10 0 BEAERN Cc1ccc(Cl)c2c1NC(=O)[C@H](C)O2 ZINC000062525414 178659757 /nfs/dbraw/zinc/65/97/57/178659757.db2.gz ACAOBAIQEJCTGC-LURJTMIESA-N 0 0 211.648 2.368 10 0 BEAERN CC(=O)N1CC[C@@H](c2c[nH]cn2)c2ccccc21 ZINC000616587760 344302519 /nfs/dbraw/zinc/30/25/19/344302519.db2.gz RDTUHBRUNQKRAP-LLVKDONJSA-N 0 0 241.294 2.298 10 0 BEAERN Fc1cc(F)c(NC2CCC2)nc1F ZINC000236153390 344303620 /nfs/dbraw/zinc/30/36/20/344303620.db2.gz WWTNQQLOBUMJGH-UHFFFAOYSA-N 0 0 202.179 2.463 10 0 BEAERN [NH3+]C[C@@H](F)[C@@H]1CCOC2(CCCC2)C1 ZINC000158071009 344394542 /nfs/dbraw/zinc/39/45/42/344394542.db2.gz DCIYNAVMZCJZSA-NXEZZACHSA-N 0 0 201.285 2.023 10 0 BEAERN [NH3+]C[C@@H](F)[C@H]1CCOC2(CCCC2)C1 ZINC000158071170 344394653 /nfs/dbraw/zinc/39/46/53/344394653.db2.gz DCIYNAVMZCJZSA-VHSXEESVSA-N 0 0 201.285 2.023 10 0 BEAERN COC(=O)c1ccc([C@@H](O)C2CCC2)cc1 ZINC000205496567 344407069 /nfs/dbraw/zinc/40/70/69/344407069.db2.gz JOUWZUOFXMEWGI-LBPRGKRZSA-N 0 0 220.268 2.307 10 0 BEAERN C[C@@H](Nc1ccc(F)cn1)[C@@H]1CCCO1 ZINC000041045384 344414636 /nfs/dbraw/zinc/41/46/36/344414636.db2.gz ARQVFJHRJYLOFD-SCZZXKLOSA-N 0 0 210.252 2.200 10 0 BEAERN Brc1nc(C[C@@H]2CCCO2)ns1 ZINC000166054963 344449597 /nfs/dbraw/zinc/44/95/97/344449597.db2.gz UAPLGWUQZSVROP-YFKPBYRVSA-N 0 0 249.133 2.022 10 0 BEAERN Cc1cnn(Cc2ccc(C)c(C)c2)c1N ZINC000037180202 178667042 /nfs/dbraw/zinc/66/70/42/178667042.db2.gz GOHDVHHCEMRXTD-UHFFFAOYSA-N 0 0 215.300 2.439 10 0 BEAERN CC(C)CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107085478 344479240 /nfs/dbraw/zinc/47/92/40/344479240.db2.gz SCQOABPAAVBZAI-UHFFFAOYSA-N 0 0 245.282 2.122 10 0 BEAERN Oc1ccc(-n2ccc(Br)n2)cc1 ZINC000217088205 344483094 /nfs/dbraw/zinc/48/30/94/344483094.db2.gz FBWOJKXVDYIGMH-UHFFFAOYSA-N 0 0 239.072 2.340 10 0 BEAERN S=c1ccnc(C2CCSCC2)[nH]1 ZINC000402283835 344486580 /nfs/dbraw/zinc/48/65/80/344486580.db2.gz LNMIJGBMGMPGOD-UHFFFAOYSA-N 0 0 212.343 2.376 10 0 BEAERN OCc1cnc(OC(F)F)cc1C(F)(F)F ZINC000396096307 344598940 /nfs/dbraw/zinc/59/89/40/344598940.db2.gz MTTDIZSFCQDIKC-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN Cc1ccc(SC[C@@H](O)C(C)(C)C)nn1 ZINC000641457994 362428990 /nfs/dbraw/zinc/42/89/90/362428990.db2.gz OTLOYTJWYYVRFV-SECBINFHSA-N 0 0 226.345 2.284 10 0 BEAERN N#CCc1ccc(N)c(C(F)(F)F)c1F ZINC000396082685 344597759 /nfs/dbraw/zinc/59/77/59/344597759.db2.gz CTKAVHDAZCJJHR-UHFFFAOYSA-N 0 0 218.153 2.493 10 0 BEAERN CCOC(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000396096052 344598427 /nfs/dbraw/zinc/59/84/27/344598427.db2.gz LZGSHYUSVZIGEW-UHFFFAOYSA-N 0 0 223.228 2.388 10 0 BEAERN CCOc1cc(F)c(OC)cc1OC ZINC000396126890 344609963 /nfs/dbraw/zinc/60/99/63/344609963.db2.gz NUUBODDWMRPMEF-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CCOc1ccc(F)c(OC)c1OC ZINC000396127959 344610240 /nfs/dbraw/zinc/61/02/40/344610240.db2.gz SJDMMXUTOUNJQR-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN CCOC(=O)c1c(C)c(C)ccc1C#N ZINC000396135462 344613300 /nfs/dbraw/zinc/61/33/00/344613300.db2.gz ILFPMQSRNLPOTI-UHFFFAOYSA-N 0 0 203.241 2.352 10 0 BEAERN COC(=O)c1cc(OC(F)F)c(Cl)cn1 ZINC000396138832 344614509 /nfs/dbraw/zinc/61/45/09/344614509.db2.gz SMMYQKJNKURFHU-UHFFFAOYSA-N 0 0 237.589 2.123 10 0 BEAERN COc1c(C)nccc1OC(F)(F)F ZINC000220871756 344614787 /nfs/dbraw/zinc/61/47/87/344614787.db2.gz ZCRHPSQKMLWCOF-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN COC(=O)Cc1c(C)c(C#N)ccc1Cl ZINC000396140150 344615162 /nfs/dbraw/zinc/61/51/62/344615162.db2.gz ABMPKUYBSQQHRI-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1ccc(F)c(C#N)c1F ZINC000396140213 344615229 /nfs/dbraw/zinc/61/52/29/344615229.db2.gz AHXAUUULDLCSMA-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN CCOC(=O)c1c(C)cc(F)cc1C#N ZINC000396140860 344615659 /nfs/dbraw/zinc/61/56/59/344615659.db2.gz CDGRAWNUNZXHTC-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN COC(=O)Cc1c(F)c(Cl)ccc1C#N ZINC000396145277 344618560 /nfs/dbraw/zinc/61/85/60/344618560.db2.gz SJXCBNMYGHSBCN-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN COC(=O)Cc1cc(Cl)c(C#N)cc1F ZINC000396142396 344616359 /nfs/dbraw/zinc/61/63/59/344616359.db2.gz IISXYIZNEOBRDN-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCOC(=O)c1cc(C)c(F)cc1C#N ZINC000396142212 344616420 /nfs/dbraw/zinc/61/64/20/344616420.db2.gz HVHKDOUIPTZIAR-UHFFFAOYSA-N 0 0 207.204 2.183 10 0 BEAERN N#Cc1cc(N)cc(F)c1OC(F)(F)F ZINC000396143100 344616744 /nfs/dbraw/zinc/61/67/44/344616744.db2.gz LPTUPTHMCPJJLY-UHFFFAOYSA-N 0 0 220.125 2.178 10 0 BEAERN CCOC(=O)c1cc(Cl)c(OC)cc1C#N ZINC000396143337 344617035 /nfs/dbraw/zinc/61/70/35/344617035.db2.gz AYWRQYGVJINYBG-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCOC(=O)c1c(F)ccc(C#N)c1F ZINC000396143674 344617122 /nfs/dbraw/zinc/61/71/22/344617122.db2.gz NIHIQNLBUIGNSC-UHFFFAOYSA-N 0 0 211.167 2.013 10 0 BEAERN CCOC(=O)c1cc(C#N)c(CC)cc1O ZINC000396144074 344617513 /nfs/dbraw/zinc/61/75/13/344617513.db2.gz OHUUMBLKAYTQFB-UHFFFAOYSA-N 0 0 219.240 2.003 10 0 BEAERN CCc1c(C)c(CC(=O)OC)ccc1C#N ZINC000396144579 344617634 /nfs/dbraw/zinc/61/76/34/344617634.db2.gz DQNPIXJFQRZMHW-UHFFFAOYSA-N 0 0 217.268 2.145 10 0 BEAERN OCc1cnc(C(F)(F)F)cc1OC(F)F ZINC000396098449 344601696 /nfs/dbraw/zinc/60/16/96/344601696.db2.gz QGFOCZBHXLBCOL-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN OCc1ccc(C(F)(F)F)nc1OC(F)F ZINC000396103906 344602666 /nfs/dbraw/zinc/60/26/66/344602666.db2.gz YUXBOHKVQKRNOC-UHFFFAOYSA-N 0 0 243.131 2.194 10 0 BEAERN COC(=O)c1ccc(F)c(F)c1OC(F)F ZINC000396102820 344602801 /nfs/dbraw/zinc/60/28/01/344602801.db2.gz JNQQDGHYDHDDHQ-UHFFFAOYSA-N 0 0 238.136 2.353 10 0 BEAERN CCOC(=O)c1c(F)c(F)ccc1[N+](=O)[O-] ZINC000396113396 344605894 /nfs/dbraw/zinc/60/58/94/344605894.db2.gz CUBYGVKHHYMXBM-UHFFFAOYSA-N 0 0 231.154 2.050 10 0 BEAERN CN(C)c1ccc(CO)c(OC(F)(F)F)c1 ZINC000396115325 344606373 /nfs/dbraw/zinc/60/63/73/344606373.db2.gz BHZVSYUCJZGCQA-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CCOC(=O)c1c(C)cc([N+](=O)[O-])cc1F ZINC000396115026 344606458 /nfs/dbraw/zinc/60/64/58/344606458.db2.gz HFMFUAFUOUZLSY-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CCOC(=O)c1nc(F)ccc1C(F)(F)F ZINC000396115293 344606500 /nfs/dbraw/zinc/60/65/00/344606500.db2.gz RGVQZSUMAGVKCA-UHFFFAOYSA-N 0 0 237.152 2.416 10 0 BEAERN Nc1ccc(F)c([N+](=O)[O-])c1C(F)(F)F ZINC000396117278 344607083 /nfs/dbraw/zinc/60/70/83/344607083.db2.gz KRXCLGUZKOJFGO-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN Nc1cc(F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000396119518 344607837 /nfs/dbraw/zinc/60/78/37/344607837.db2.gz PGUWGGUKRBVXQK-UHFFFAOYSA-N 0 0 224.113 2.335 10 0 BEAERN CCOC(=O)c1c(C)cc(F)cc1[N+](=O)[O-] ZINC000396120016 344608437 /nfs/dbraw/zinc/60/84/37/344608437.db2.gz RAOCYVFHCUYFAM-UHFFFAOYSA-N 0 0 227.191 2.219 10 0 BEAERN CN(C)c1cccc(OC(F)(F)F)c1CO ZINC000396120111 344608508 /nfs/dbraw/zinc/60/85/08/344608508.db2.gz MAKYNBXPPHAPAN-UHFFFAOYSA-N 0 0 235.205 2.144 10 0 BEAERN CN(Cc1cscn1)[C@H]1CCCCC1=O ZINC000050142168 344649988 /nfs/dbraw/zinc/64/99/88/344649988.db2.gz JURNOEYGUZNFPQ-JTQLQIEISA-N 0 0 224.329 2.087 10 0 BEAERN C[C@@H](NC(=O)c1ccc(N)nc1)c1cccs1 ZINC000050201885 344656461 /nfs/dbraw/zinc/65/64/61/344656461.db2.gz DOBFWZDEZQBCBZ-MRVPVSSYSA-N 0 0 247.323 2.216 10 0 BEAERN COCCOc1cnc2ccc([C@H](C)O)cc2c1 ZINC000113276055 344658606 /nfs/dbraw/zinc/65/86/06/344658606.db2.gz AFUJTGBJJSFASF-JTQLQIEISA-N 0 0 247.294 2.313 10 0 BEAERN CNC(=S)N[C@@H]1CCCCC[C@@H]1C ZINC000127838661 344661780 /nfs/dbraw/zinc/66/17/80/344661780.db2.gz KRBPYBQASKCCCA-DTWKUNHWSA-N 0 0 200.351 2.049 10 0 BEAERN COc1c(Br)ccc(C)c1O ZINC000215480472 344677259 /nfs/dbraw/zinc/67/72/59/344677259.db2.gz APLYXXJFJAPVJE-UHFFFAOYSA-N 0 0 217.062 2.472 10 0 BEAERN COC(=O)Cc1cc(F)c(Cl)c(C#N)c1 ZINC000396146223 344619535 /nfs/dbraw/zinc/61/95/35/344619535.db2.gz VIPNLOCMAKLCEO-UHFFFAOYSA-N 0 0 227.622 2.066 10 0 BEAERN CCc1cc(C#N)c(C(=O)OC)cc1CC ZINC000396148141 344621399 /nfs/dbraw/zinc/62/13/99/344621399.db2.gz GMTMRESCIDBGDE-UHFFFAOYSA-N 0 0 217.268 2.470 10 0 BEAERN COC(=O)Cc1ccc(C)c(Cl)c1C#N ZINC000396147920 344621407 /nfs/dbraw/zinc/62/14/07/344621407.db2.gz ZBTOGFVOJYLSCQ-UHFFFAOYSA-N 0 0 223.659 2.236 10 0 BEAERN CCOC(=O)c1c(C)cc(C#N)cc1OC ZINC000396148150 344621472 /nfs/dbraw/zinc/62/14/72/344621472.db2.gz GOTVXRZPUXPRKB-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCOC(=O)Cc1cc(C)c(C#N)c(C)c1 ZINC000396148393 344622501 /nfs/dbraw/zinc/62/25/01/344622501.db2.gz ZONVYINXOKONMO-UHFFFAOYSA-N 0 0 217.268 2.281 10 0 BEAERN CCOC(=O)c1c(Cl)cc(OC)cc1C#N ZINC000396149032 344623062 /nfs/dbraw/zinc/62/30/62/344623062.db2.gz NZXACDOHHBOENG-UHFFFAOYSA-N 0 0 239.658 2.397 10 0 BEAERN CCc1cc(Cl)c(CC(=O)OC)cc1C#N ZINC000396154305 344626219 /nfs/dbraw/zinc/62/62/19/344626219.db2.gz FLDMESSFDFNRRL-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)Cc1ccc(C)c(C#N)c1F ZINC000396154449 344626497 /nfs/dbraw/zinc/62/64/97/344626497.db2.gz DWJZWJCUIPIFAL-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN COC(=O)c1ccc(OC)c(C#N)c1Cl ZINC000396154899 344626564 /nfs/dbraw/zinc/62/65/64/344626564.db2.gz UZHIFKVGBWZCDQ-UHFFFAOYSA-N 0 0 225.631 2.007 10 0 BEAERN COC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1C ZINC000396156637 344628009 /nfs/dbraw/zinc/62/80/09/344628009.db2.gz HWZCXWFQZZBFCI-UHFFFAOYSA-N 0 0 243.646 2.272 10 0 BEAERN COC(=O)c1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC000396157196 344628522 /nfs/dbraw/zinc/62/85/22/344628522.db2.gz YJICJIPHEZXVSF-UHFFFAOYSA-N 0 0 229.619 2.343 10 0 BEAERN CCOC(=O)Cc1cc(F)c(C)c(C#N)c1 ZINC000396157678 344628850 /nfs/dbraw/zinc/62/88/50/344628850.db2.gz JMKUVVXILFYZCK-UHFFFAOYSA-N 0 0 221.231 2.111 10 0 BEAERN CCOC(=O)c1cc(C#N)c(Cl)cc1C=O ZINC000396158226 344629408 /nfs/dbraw/zinc/62/94/08/344629408.db2.gz KGJYQEMFUDRNJG-UHFFFAOYSA-N 0 0 237.642 2.201 10 0 BEAERN CCc1cc(CC(=O)OC)c(Cl)cc1C#N ZINC000396169257 344630451 /nfs/dbraw/zinc/63/04/51/344630451.db2.gz YJZWVUOOIMVNIJ-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1cc(C#N)c(CC)cc1F ZINC000396161443 344633819 /nfs/dbraw/zinc/63/38/19/344633819.db2.gz NWQQRCMYZPQBBY-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1ccc(C)c(OC)c1C#N ZINC000396161202 344633894 /nfs/dbraw/zinc/63/38/94/344633894.db2.gz YSMBWLTWVBYZDX-UHFFFAOYSA-N 0 0 219.240 2.052 10 0 BEAERN CCc1cc(C#N)cc(Cl)c1CC(=O)OC ZINC000396163376 344635053 /nfs/dbraw/zinc/63/50/53/344635053.db2.gz QBKWIZLNCHMRAX-UHFFFAOYSA-N 0 0 237.686 2.490 10 0 BEAERN CCOC(=O)c1cc(F)cc(CC)c1C#N ZINC000396165273 344635907 /nfs/dbraw/zinc/63/59/07/344635907.db2.gz SSRUWNGJGBPRJH-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN CCOC(=O)c1cc(C#N)cc(CC)c1F ZINC000396166110 344636328 /nfs/dbraw/zinc/63/63/28/344636328.db2.gz UMJCMOPQBHJSOX-UHFFFAOYSA-N 0 0 221.231 2.436 10 0 BEAERN O[C@@H](c1nc(Br)cs1)C1CC1 ZINC000127744037 344639626 /nfs/dbraw/zinc/63/96/26/344639626.db2.gz DZTDGXZVICABDU-ZCFIWIBFSA-N 0 0 234.118 2.349 10 0 BEAERN CN(Cc1ccoc1)[C@H]1CCCCC1=O ZINC000050151014 344649124 /nfs/dbraw/zinc/64/91/24/344649124.db2.gz QSCLHNMRTCOPFT-NSHDSACASA-N 0 0 207.273 2.223 10 0 BEAERN Cc1csc(N[C@@H](C)[C@@H]2CCOC2)n1 ZINC000158688752 344719938 /nfs/dbraw/zinc/71/99/38/344719938.db2.gz TWFMZZBTJKXVGF-DTWKUNHWSA-N 0 0 212.318 2.288 10 0 BEAERN Cc1ccc(N(C)C[C@H]2CCCO2)c(N)c1 ZINC000042463692 178700764 /nfs/dbraw/zinc/70/07/64/178700764.db2.gz VSOSMYMSJCPEPC-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN Nc1ncc(Cl)cc1[C@H](O)C(F)(F)Cl ZINC000158703593 344727674 /nfs/dbraw/zinc/72/76/74/344727674.db2.gz JFLSCMMTJJFTDC-YFKPBYRVSA-N 0 0 243.040 2.182 10 0 BEAERN Clc1ncnc2c(Br)cncc12 ZINC000116242082 344728419 /nfs/dbraw/zinc/72/84/19/344728419.db2.gz ALCXAADGQYOYGK-UHFFFAOYSA-N 0 0 244.479 2.441 10 0 BEAERN CC(C)(C)Nc1cc(Cl)ncc1CO ZINC000116426357 344729932 /nfs/dbraw/zinc/72/99/32/344729932.db2.gz WCUBSQUFPNQOHW-UHFFFAOYSA-N 0 0 214.696 2.438 10 0 BEAERN O=Cc1cnc(N2CCCCCC2)s1 ZINC000054861549 344733575 /nfs/dbraw/zinc/73/35/75/344733575.db2.gz IJYSWKVLWAJWBI-UHFFFAOYSA-N 0 0 210.302 2.336 10 0 BEAERN CC(=O)c1sc(N(C)C(C)C)nc1C ZINC000054861609 344733580 /nfs/dbraw/zinc/73/35/80/344733580.db2.gz RCOCRVXBBUJDSZ-UHFFFAOYSA-N 0 0 212.318 2.499 10 0 BEAERN O=Cc1nc2c([nH]1)Cc1cc(Cl)ccc1-2 ZINC000127924578 344682712 /nfs/dbraw/zinc/68/27/12/344682712.db2.gz FUCFKZDDAJESKI-UHFFFAOYSA-N 0 0 218.643 2.447 10 0 BEAERN C[C@@H](Nc1ccc(Cl)cn1)c1nc[nH]n1 ZINC000230430709 344683836 /nfs/dbraw/zinc/68/38/36/344683836.db2.gz LIOAJCUHWAJWKG-ZCFIWIBFSA-N 0 0 223.667 2.026 10 0 BEAERN Clc1noc(CC2CCSCC2)n1 ZINC000158581614 344684979 /nfs/dbraw/zinc/68/49/79/344684979.db2.gz KCXACHILRILUJS-UHFFFAOYSA-N 0 0 218.709 2.409 10 0 BEAERN O=C(Cc1ccccc1F)c1csnn1 ZINC000158591034 344689737 /nfs/dbraw/zinc/68/97/37/344689737.db2.gz XJABCCIJLYYDRU-UHFFFAOYSA-N 0 0 222.244 2.103 10 0 BEAERN Cc1oncc1C(=O)Nc1c(N)ccc(C)c1C ZINC000036736912 178704325 /nfs/dbraw/zinc/70/43/25/178704325.db2.gz QIJQSAPPVILCEQ-UHFFFAOYSA-N 0 0 245.282 2.434 10 0 BEAERN CC[C@H](C(N)=S)n1nc(C)c(Cl)c1C ZINC000050586779 344715373 /nfs/dbraw/zinc/71/53/73/344715373.db2.gz QDIPGXWRGGZCTI-SSDOTTSWSA-N 0 0 231.752 2.391 10 0 BEAERN CCC(=O)Cn1nc(C)c(Br)c1C ZINC000050593685 344717148 /nfs/dbraw/zinc/71/71/48/344717148.db2.gz FVOSCANBBICAJC-UHFFFAOYSA-N 0 0 245.120 2.242 10 0 BEAERN CSc1c(N)nsc1N[C@H]1C[C@@H]1C ZINC000235081964 344774779 /nfs/dbraw/zinc/77/47/79/344774779.db2.gz IOYWIZQZIVDPQR-WHFBIAKZSA-N 0 0 215.347 2.268 10 0 BEAERN CCOC(=O)c1ccnc(-c2cccs2)n1 ZINC000300741128 537856261 /nfs/dbraw/zinc/85/62/61/537856261.db2.gz NJHMGDOKTYAHDK-UHFFFAOYSA-N 0 0 234.280 2.382 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000075721396 344777740 /nfs/dbraw/zinc/77/77/40/344777740.db2.gz KPZWNZBYPJMAID-MUWHJKNJSA-N 0 0 207.664 2.427 10 0 BEAERN C[C@H]1C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000075721397 344777807 /nfs/dbraw/zinc/77/78/07/344777807.db2.gz KPZWNZBYPJMAID-RCOVLWMOSA-N 0 0 207.664 2.427 10 0 BEAERN CC(C)=C(F)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000153117782 344753964 /nfs/dbraw/zinc/75/39/64/344753964.db2.gz QULXDLKTFBOUQN-MNOVXSKESA-N 0 0 241.306 2.420 10 0 BEAERN COC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050347491 344783728 /nfs/dbraw/zinc/78/37/28/344783728.db2.gz HKZJETMHPJLVNF-JTQLQIEISA-N 0 0 227.348 2.306 10 0 BEAERN COc1cccnc1[C@H]1CCC(=O)[C@H]1C ZINC000235107626 344791964 /nfs/dbraw/zinc/79/19/64/344791964.db2.gz SJFMPDMMBQWSRK-IUCAKERBSA-N 0 0 205.257 2.173 10 0 BEAERN C[C@H]1CC([C@](O)(CO)C(F)(F)F)=C[C@@H](C)C1 ZINC000675053208 537862889 /nfs/dbraw/zinc/86/28/89/537862889.db2.gz LTDPCPJNJXHONE-QXFUBDJGSA-N 0 0 238.249 2.265 10 0 BEAERN CS[C@@H]1CCC[C@H]1n1cnnc1Cl ZINC000235114894 344800812 /nfs/dbraw/zinc/80/08/12/344800812.db2.gz QVQCJHGHVDXHMQ-RNFRBKRXSA-N 0 0 217.725 2.388 10 0 BEAERN Cc1cccc(=NNC(=O)OC(C)(C)C)[nH]1 ZINC000141929121 537865255 /nfs/dbraw/zinc/86/52/55/537865255.db2.gz FEQVWGXODQNVMR-UHFFFAOYSA-N 0 0 223.276 2.242 10 0 BEAERN Cc1cc(N)nn1CCCC(F)(F)F ZINC000300849422 537865313 /nfs/dbraw/zinc/86/53/13/537865313.db2.gz GXLIEWCBWADOQP-UHFFFAOYSA-N 0 0 207.199 2.116 10 0 BEAERN CS[C@@H]1CC[C@H](n2cnnc2Cl)C1 ZINC000235185280 344839219 /nfs/dbraw/zinc/83/92/19/344839219.db2.gz DXBMPFUEHUYHIM-NKWVEPMBSA-N 0 0 217.725 2.388 10 0 BEAERN CCOC(=O)c1noc(CCC(C)(C)C)n1 ZINC000300851361 537865521 /nfs/dbraw/zinc/86/55/21/537865521.db2.gz KZWHVYBSASXWHX-UHFFFAOYSA-N 0 0 226.276 2.225 10 0 BEAERN Cc1nc(CN2CCO[C@H]3CCCC[C@@H]32)[nH]c1C ZINC000628146042 344824966 /nfs/dbraw/zinc/82/49/66/344824966.db2.gz CIQJIEHKWDRHMB-STQMWFEESA-N 0 0 249.358 2.170 10 0 BEAERN COC(=O)c1ccc(-c2cccoc2=O)cc1 ZINC000118804440 344825871 /nfs/dbraw/zinc/82/58/71/344825871.db2.gz LUROHPISAAXSFF-UHFFFAOYSA-N 0 0 230.219 2.093 10 0 BEAERN Nc1cc(F)cc(C(=O)c2ccco2)c1 ZINC000166294642 344846029 /nfs/dbraw/zinc/84/60/29/344846029.db2.gz ZPNKUEZVJHEQCF-UHFFFAOYSA-N 0 0 205.188 2.232 10 0 BEAERN CC(C)[C@@H](O)CCNc1cccc(F)n1 ZINC000078341929 344850869 /nfs/dbraw/zinc/85/08/69/344850869.db2.gz WICWLSJUBZXKGN-VIFPVBQESA-N 0 0 212.268 2.040 10 0 BEAERN CC1=NN(C)C(=O)C1c1cccc(F)c1 ZINC000675053365 537866520 /nfs/dbraw/zinc/86/65/20/537866520.db2.gz GWTWYUXDLVMSIC-UHFFFAOYSA-N 0 0 206.220 2.240 10 0 BEAERN C[C@@H](Nc1nsnc1Cl)C1CCOCC1 ZINC000235245835 344856911 /nfs/dbraw/zinc/85/69/11/344856911.db2.gz HATYKRANFRAIJT-ZCFIWIBFSA-N 0 0 247.751 2.419 10 0 BEAERN C[C@H]1O[C@@]1(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004955343 344860257 /nfs/dbraw/zinc/86/02/57/344860257.db2.gz PHJIDIOTCJJTEN-WZXUJXBRSA-N 0 0 247.250 2.355 10 0 BEAERN C[NH2+]Cc1nc(NC(C)C)ccc1Cl ZINC000166341359 344862065 /nfs/dbraw/zinc/86/20/65/344862065.db2.gz KJJVDXSFBRNDFJ-UHFFFAOYSA-N 0 0 213.712 2.275 10 0 BEAERN Cc1nn(-c2cccc(Cl)c2)cc1N ZINC000135721151 344865323 /nfs/dbraw/zinc/86/53/23/344865323.db2.gz PHOVMQSIKWCZQN-UHFFFAOYSA-N 0 0 207.664 2.416 10 0 BEAERN Cc1ccc(N[C@@H]2CCCCNC2=O)c(C)c1 ZINC000020034951 178772481 /nfs/dbraw/zinc/77/24/81/178772481.db2.gz YIWQMCZVEXXMOQ-CYBMUJFWSA-N 0 0 232.327 2.384 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C ZINC000235338827 344887312 /nfs/dbraw/zinc/88/73/12/344887312.db2.gz ABJFUDFLKDLFCX-ZJUUUORDSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1C[C@@H](C)N(c2ncccc2C=O)C1 ZINC000235347433 344889303 /nfs/dbraw/zinc/88/93/03/344889303.db2.gz ZEZRWHZBSDBSAG-NXEZZACHSA-N 0 0 204.273 2.129 10 0 BEAERN C[C@H]1C(=O)N[C@H]1c1cccc(Br)c1 ZINC000235356246 344893288 /nfs/dbraw/zinc/89/32/88/344893288.db2.gz ADOGPCQZFTXIBG-HZGVNTEJSA-N 0 0 240.100 2.256 10 0 BEAERN C[C@@H]1CCC[C@@H](CN2CN=NC2=S)C1 ZINC000235357065 344893878 /nfs/dbraw/zinc/89/38/78/344893878.db2.gz KWENOXBSFUNBIX-RKDXNWHRSA-N 0 0 211.334 2.393 10 0 BEAERN CC(C)C[C@H](C)Cn1cccc(N)c1=O ZINC000300956681 537871303 /nfs/dbraw/zinc/87/13/03/537871303.db2.gz QIWMOAUAURTDLY-JTQLQIEISA-N 0 0 208.305 2.113 10 0 BEAERN C[C@@H]1SCC[C@H]1n1ncc(Cl)c1N ZINC000235386300 344899516 /nfs/dbraw/zinc/89/95/16/344899516.db2.gz JAZKHVDAABHCHG-CAHLUQPWSA-N 0 0 217.725 2.185 10 0 BEAERN C[C@@H](NC(=O)NCC1CCCC1)[C@@H]1CCCO1 ZINC000078936237 344922255 /nfs/dbraw/zinc/92/22/55/344922255.db2.gz IFCBCEOUVLASHF-PWSUYJOCSA-N 0 0 240.347 2.043 10 0 BEAERN Cc1ccc(N[C@H](C(N)=O)c2cccnc2)cc1 ZINC000037941686 178775933 /nfs/dbraw/zinc/77/59/33/178775933.db2.gz YUSFIKSBEBOCAZ-ZDUSSCGKSA-N 0 0 241.294 2.029 10 0 BEAERN CC(=O)[C@H](C)NC(=O)C1(C)CCCCC1 ZINC000235529024 344930709 /nfs/dbraw/zinc/93/07/09/344930709.db2.gz KNCCRHJLNXQKOE-VIFPVBQESA-N 0 0 211.305 2.051 10 0 BEAERN CC[C@@H]1CCN(C2N=NC(=S)S2)C1 ZINC000166582902 344933030 /nfs/dbraw/zinc/93/30/30/344933030.db2.gz GOSYVIMFNPTKDM-ZCFIWIBFSA-N 0 0 215.347 2.063 10 0 BEAERN Brc1cnc(-c2nccs2)nc1 ZINC000238039852 344953015 /nfs/dbraw/zinc/95/30/15/344953015.db2.gz FJDSQTCXENIJHJ-UHFFFAOYSA-N 0 0 242.101 2.363 10 0 BEAERN C[C@H](C1CC1)N(C)c1nc(Cl)nc(Cl)n1 ZINC000061518352 344955495 /nfs/dbraw/zinc/95/54/95/344955495.db2.gz VMHAXWBDUBCEJX-RXMQYKEDSA-N 0 0 247.129 2.413 10 0 BEAERN C[C@@H](C1CC1)N(C)c1nc(Cl)nc(Cl)n1 ZINC000061518350 344955552 /nfs/dbraw/zinc/95/55/52/344955552.db2.gz VMHAXWBDUBCEJX-YFKPBYRVSA-N 0 0 247.129 2.413 10 0 BEAERN C[C@H]1SCCS[C@@H]1c1nc(O)c[nH]1 ZINC000235632746 344960474 /nfs/dbraw/zinc/96/04/74/344960474.db2.gz IJVZOKIGSWYJDU-VDTYLAMSSA-N 0 0 216.331 2.025 10 0 BEAERN C[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C ZINC000235638023 344961298 /nfs/dbraw/zinc/96/12/98/344961298.db2.gz ABJFUDFLKDLFCX-VHSXEESVSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1CCC[C@H](C(=O)c2cn(C)cn2)C1 ZINC000235638199 344961523 /nfs/dbraw/zinc/96/15/23/344961523.db2.gz DCTQZFWMRWAHHX-UWVGGRQHSA-N 0 0 206.289 2.429 10 0 BEAERN Cc1ccncc1[C@]1(O)CCS[C@@H]1C ZINC000235641329 344964697 /nfs/dbraw/zinc/96/46/97/344964697.db2.gz RGTJCWGTARLZNG-KOLCDFICSA-N 0 0 209.314 2.103 10 0 BEAERN Cc1[nH]c([C@@H]2SCCS[C@@H]2C)nc1O ZINC000235643719 344965035 /nfs/dbraw/zinc/96/50/35/344965035.db2.gz UOCUQSCAUYMFNC-RNFRBKRXSA-N 0 0 230.358 2.333 10 0 BEAERN C[C@H]1CCC[C@@H](CN2CN=NC2=S)C1 ZINC000235647014 344965916 /nfs/dbraw/zinc/96/59/16/344965916.db2.gz KWENOXBSFUNBIX-DTWKUNHWSA-N 0 0 211.334 2.393 10 0 BEAERN C[C@H]1OCC[C@@H]1Sc1nsnc1Cl ZINC000235667041 344975289 /nfs/dbraw/zinc/97/52/89/344975289.db2.gz BUBLYAHDHVXULQ-UHNVWZDZSA-N 0 0 236.749 2.461 10 0 BEAERN C[C@H]1C[C@]1(O)C(C(F)(F)F)C(F)(F)F ZINC000235588301 344948415 /nfs/dbraw/zinc/94/84/15/344948415.db2.gz OQMDKOAJXMYKGR-WVZVXSGGSA-N 0 0 222.128 2.498 10 0 BEAERN [NH3+][C@@H](CC(=O)[O-])c1ccc(-c2ccccn2)cc1 ZINC000044216863 344983867 /nfs/dbraw/zinc/98/38/67/344983867.db2.gz DYICSBWPWIHVKR-LBPRGKRZSA-N 0 0 242.278 2.223 10 0 BEAERN C[C@@H]1CCCCN1C1N=NC(=S)S1 ZINC000044241564 344992006 /nfs/dbraw/zinc/99/20/06/344992006.db2.gz OESFLRSXIIFLGM-ZCFIWIBFSA-N 0 0 215.347 2.206 10 0 BEAERN COC(=O)c1nc2cccc(OC)c2s1 ZINC000238422368 345046370 /nfs/dbraw/zinc/04/63/70/345046370.db2.gz BPZZPYFNRWTMEF-UHFFFAOYSA-N 0 0 223.253 2.092 10 0 BEAERN N#Cc1c2c[nH]nc2ccc1Br ZINC000145980867 345018760 /nfs/dbraw/zinc/01/87/60/345018760.db2.gz CMJVREGBGQRONB-UHFFFAOYSA-N 0 0 222.045 2.197 10 0 BEAERN C[C@@H](NCc1nsc(N(C)C)n1)C(C)(C)C ZINC000121527492 349922269 /nfs/dbraw/zinc/92/22/69/349922269.db2.gz ROMCKQOBZQEUIF-MRVPVSSYSA-N 0 0 242.392 2.128 10 0 BEAERN COC(=O)[C@H](N)CC[C@@H](C)CC(C)(C)C ZINC000044327108 345022844 /nfs/dbraw/zinc/02/28/44/345022844.db2.gz RFHKATAMDPUENG-NXEZZACHSA-N 0 0 215.337 2.339 10 0 BEAERN COC(=O)c1cc(Br)c(C)nc1C ZINC000238338811 345025552 /nfs/dbraw/zinc/02/55/52/345025552.db2.gz SHFFLIDYLMYWTO-UHFFFAOYSA-N 0 0 244.088 2.248 10 0 BEAERN COc1c(Br)ccc2nccn21 ZINC000238338216 345025657 /nfs/dbraw/zinc/02/56/57/345025657.db2.gz HVVDQPDIOVZJNM-UHFFFAOYSA-N 0 0 227.061 2.105 10 0 BEAERN COc1cccc(N)c1OC(F)(F)F ZINC000238378171 345034967 /nfs/dbraw/zinc/03/49/67/345034967.db2.gz GPIITEKQBBGHCG-UHFFFAOYSA-N 0 0 207.151 2.176 10 0 BEAERN COc1ccc(OC(F)(F)F)c(C)n1 ZINC000238384233 345036800 /nfs/dbraw/zinc/03/68/00/345036800.db2.gz DHBYJNFEUODVIY-UHFFFAOYSA-N 0 0 207.151 2.297 10 0 BEAERN Cc1ccc(OC(F)(F)F)nc1C=O ZINC000238463586 345053378 /nfs/dbraw/zinc/05/33/78/345053378.db2.gz HPWPMKZFFRAWIM-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cn1nc(-c2ccncc2)cc1Br ZINC000238529238 345068370 /nfs/dbraw/zinc/06/83/70/345068370.db2.gz RKDPCMXLDDLUHJ-UHFFFAOYSA-N 0 0 238.088 2.245 10 0 BEAERN O=Cc1cc(OC(F)(F)F)ncc1Cl ZINC000238526872 345070261 /nfs/dbraw/zinc/07/02/61/345070261.db2.gz XJMRSTMTJXWWND-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=Cc1cnc(Cl)cc1OC(F)(F)F ZINC000238531175 345070527 /nfs/dbraw/zinc/07/05/27/345070527.db2.gz QUVSARPEGHRMOK-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN O=Cc1nccc(OC(F)(F)F)c1Cl ZINC000238537825 345073015 /nfs/dbraw/zinc/07/30/15/345073015.db2.gz UXYOEPZZLFLMHJ-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN Cc1cncc(OC(F)(F)F)c1C=O ZINC000238542603 345073719 /nfs/dbraw/zinc/07/37/19/345073719.db2.gz FAIHTMCCFZIQRS-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Cc1c(C=O)ccnc1OC(F)(F)F ZINC000238549414 345077200 /nfs/dbraw/zinc/07/72/00/345077200.db2.gz JJCXTPWPOUQGEG-UHFFFAOYSA-N 0 0 205.135 2.101 10 0 BEAERN Nc1cnc(Br)cc1C(F)(F)F ZINC000238573935 345078536 /nfs/dbraw/zinc/07/85/36/345078536.db2.gz RHKLCEZMOQNPOF-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN Cc1ccc(S(=O)(=O)C(F)F)c(C)c1 ZINC000041233748 178821689 /nfs/dbraw/zinc/82/16/89/178821689.db2.gz KVEWVTIQVFCFCM-UHFFFAOYSA-N 0 0 220.240 2.300 10 0 BEAERN Cc1ccc(N2CC[C@@H](CO)C2)c(C)c1 ZINC000011892773 345055611 /nfs/dbraw/zinc/05/56/11/345055611.db2.gz LVJUYFXHAUIBBH-GFCCVEGCSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1nc(C)c(C=O)cc1Br ZINC000238510898 345064618 /nfs/dbraw/zinc/06/46/18/345064618.db2.gz BCCADQUYPCZOMX-UHFFFAOYSA-N 0 0 214.062 2.273 10 0 BEAERN O=c1[nH]ccc(Cl)c1OC(F)(F)F ZINC000238710580 345115560 /nfs/dbraw/zinc/11/55/60/345115560.db2.gz AEICWMRSJMYDEL-UHFFFAOYSA-N 0 0 213.542 2.339 10 0 BEAERN OCc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238719824 345117323 /nfs/dbraw/zinc/11/73/23/345117323.db2.gz RZTJTDPCRJMUML-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN OCc1cc(Cl)cnc1C(F)(F)F ZINC000238720247 345117367 /nfs/dbraw/zinc/11/73/67/345117367.db2.gz PMMDFGAAUIWJLE-UHFFFAOYSA-N 0 0 211.570 2.246 10 0 BEAERN OCc1cnc(OC(F)(F)F)cc1Cl ZINC000238729281 345120069 /nfs/dbraw/zinc/12/00/69/345120069.db2.gz XSMYRSXOOAWZQC-UHFFFAOYSA-N 0 0 227.569 2.126 10 0 BEAERN Nc1cc(Br)cc2c1C(=O)CC2 ZINC000238601190 345089092 /nfs/dbraw/zinc/08/90/92/345089092.db2.gz HQUAJPPNSXIVKO-UHFFFAOYSA-N 0 0 226.073 2.160 10 0 BEAERN Cc1ccc(SN2C(=O)CCC2=O)cc1 ZINC000034455754 178829326 /nfs/dbraw/zinc/82/93/26/178829326.db2.gz FFFDOQHCUKCSNE-UHFFFAOYSA-N 0 0 221.281 2.151 10 0 BEAERN CCc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000156071637 345122658 /nfs/dbraw/zinc/12/26/58/345122658.db2.gz SJTUWOYEZZMJPD-RISCZKNCSA-N 0 0 247.338 2.433 10 0 BEAERN CCC1CCC(NC(=O)c2cc(N)c[nH]2)CC1 ZINC000042577259 168519954 /nfs/dbraw/zinc/51/99/54/168519954.db2.gz QRWBBLKHRQHBSN-UHFFFAOYSA-N 0 0 235.331 2.296 10 0 BEAERN CCC1CCC(NC(=O)c2cccc(N)n2)CC1 ZINC000051071373 168520036 /nfs/dbraw/zinc/52/00/36/168520036.db2.gz HBIWPZJRWQPSQP-UHFFFAOYSA-N 0 0 247.342 2.362 10 0 BEAERN N[C@H](CF)c1c(F)c(F)cc(F)c1F ZINC000238683308 345108919 /nfs/dbraw/zinc/10/89/19/345108919.db2.gz FSQPCCUHEFXHTA-RXMQYKEDSA-N 0 0 211.133 2.212 10 0 BEAERN COc1cccnc1NC[C@@H]1CCCC[C@@H]1O ZINC000128126373 345111713 /nfs/dbraw/zinc/11/17/13/345111713.db2.gz CYHZLSDIVVZIGC-QWRGUYRKSA-N 0 0 236.315 2.053 10 0 BEAERN CO[C@@H](C)Cc1nc2c(c(Cl)n1)CSC2 ZINC000127880756 345225526 /nfs/dbraw/zinc/22/55/26/345225526.db2.gz AZENAXDJRRKFDH-LURJTMIESA-N 0 0 244.747 2.454 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000246185242 345251564 /nfs/dbraw/zinc/25/15/64/345251564.db2.gz HGFRFFFRQHHEEE-GKROBHDKSA-N 0 0 222.115 2.095 10 0 BEAERN COC(=O)c1cccc(C(=O)C(F)(F)Cl)c1 ZINC000390130324 345252515 /nfs/dbraw/zinc/25/25/15/345252515.db2.gz JNSMFAODLHSCAO-UHFFFAOYSA-N 0 0 248.612 2.488 10 0 BEAERN Cc1cc(NCC(F)F)nc(Cl)n1 ZINC000148006244 345194488 /nfs/dbraw/zinc/19/44/88/345194488.db2.gz NDRHDAGXEGSCSA-UHFFFAOYSA-N 0 0 207.611 2.115 10 0 BEAERN CC(=O)c1ccc(-n2cc(Cl)cn2)cn1 ZINC000148003360 345194495 /nfs/dbraw/zinc/19/44/95/345194495.db2.gz QMUMIQIZTLTBFV-UHFFFAOYSA-N 0 0 221.647 2.123 10 0 BEAERN Cc1cnn2c1N[C@@H](C)C[C@H]2C(F)F ZINC000720942947 537891340 /nfs/dbraw/zinc/89/13/40/537891340.db2.gz ZRJFNYWLGMRZPZ-BQBZGAKWSA-N 0 0 201.220 2.202 10 0 BEAERN O[C@H](c1cnsn1)c1cccc(Cl)c1 ZINC000158780468 345221340 /nfs/dbraw/zinc/22/13/40/345221340.db2.gz ZRSGLISTCFKBAG-VIFPVBQESA-N 0 0 226.688 2.273 10 0 BEAERN CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000245240538 345222149 /nfs/dbraw/zinc/22/21/49/345222149.db2.gz ZYYXGYAWMJJYHY-MGCOHNPYSA-N 0 0 229.320 2.469 10 0 BEAERN C[C@H](NO)c1cccc(Br)c1 ZINC000132113028 345316796 /nfs/dbraw/zinc/31/67/96/345316796.db2.gz HGMPJCVDCYTLDB-LURJTMIESA-N 0 0 216.078 2.489 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000157393285 345258785 /nfs/dbraw/zinc/25/87/85/345258785.db2.gz YSXOMNCWQHSMOH-NDBYEHHHSA-N 0 0 239.359 2.449 10 0 BEAERN COCc1nc2sccc2c(Cl)n1 ZINC000050790908 345267997 /nfs/dbraw/zinc/26/79/97/345267997.db2.gz OOJYPQDHWZMYHZ-UHFFFAOYSA-N 0 0 214.677 2.491 10 0 BEAERN O=C(NC1CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000158258415 345312547 /nfs/dbraw/zinc/31/25/47/345312547.db2.gz JALKDWGNJSSSCF-NEPJUHHUSA-N 0 0 207.317 2.481 10 0 BEAERN Cc1ccc([C@@H](C)Nc2c(N)c(C)nn2C)o1 ZINC000049194140 178851240 /nfs/dbraw/zinc/85/12/40/178851240.db2.gz TURNVLTULBFBGQ-MRVPVSSYSA-N 0 0 234.303 2.385 10 0 BEAERN Brc1ccc(N2CC3(CC3)C2)nc1 ZINC000133432670 345374448 /nfs/dbraw/zinc/37/44/48/345374448.db2.gz AABDSQSCMWIKHY-UHFFFAOYSA-N 0 0 239.116 2.444 10 0 BEAERN CSCCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158755847 345374533 /nfs/dbraw/zinc/37/45/33/345374533.db2.gz PVQYUJCCLFSVIP-GFCCVEGCSA-N 0 0 241.356 2.324 10 0 BEAERN Brc1ccc(N2CC=CC2)nc1 ZINC000133429076 345374633 /nfs/dbraw/zinc/37/46/33/345374633.db2.gz VXJRNDQLKAACRY-UHFFFAOYSA-N 0 0 225.089 2.220 10 0 BEAERN Cc1ccc([C@@H]([NH3+])CCC(=O)[O-])cc1C ZINC000020587403 178857310 /nfs/dbraw/zinc/85/73/10/178857310.db2.gz ZDSVUNQPOREOOD-NSHDSACASA-N 0 0 207.273 2.168 10 0 BEAERN CC(C)(Cc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000408494361 345377237 /nfs/dbraw/zinc/37/72/37/345377237.db2.gz GHXRKHTYPVXLPK-UHFFFAOYSA-N 0 0 236.706 2.373 10 0 BEAERN COc1cc(Br)cc(C=O)c1F ZINC000215577591 345380395 /nfs/dbraw/zinc/38/03/95/345380395.db2.gz SSZFGXZFDORHDQ-UHFFFAOYSA-N 0 0 233.036 2.409 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)N2C[C@H](C)CC[C@@H]2C)O1 ZINC000158375348 345325515 /nfs/dbraw/zinc/32/55/15/345325515.db2.gz ZUFQWXPPXNSGCA-RHYQMDGZSA-N 0 0 225.332 2.201 10 0 BEAERN C[C@H]1OCC[C@@H]1N(C)c1cccc(Cl)n1 ZINC000134739190 345420773 /nfs/dbraw/zinc/42/07/73/345420773.db2.gz AWIFLMHBFAALSL-BDAKNGLRSA-N 0 0 226.707 2.349 10 0 BEAERN COC[C@H]1CCCN(C(=O)CCCSC)C1 ZINC000134939474 345426900 /nfs/dbraw/zinc/42/69/00/345426900.db2.gz IFFIEYHJMLSWAB-NSHDSACASA-N 0 0 245.388 2.015 10 0 BEAERN Cc1cc(N)nn1C[C@H](C)CC(F)(F)F ZINC000402804973 537898586 /nfs/dbraw/zinc/89/85/86/537898586.db2.gz ZOVPUJKFLGCTEC-ZCFIWIBFSA-N 0 0 221.226 2.193 10 0 BEAERN OC[C@H](Nc1ncccc1Cl)c1ccco1 ZINC000088726507 345544735 /nfs/dbraw/zinc/54/47/35/345544735.db2.gz BHCPLNNBLWWDNQ-VIFPVBQESA-N 0 0 238.674 2.474 10 0 BEAERN CCOC(=O)CC[C@H](C)Nc1cccc(F)n1 ZINC000089656948 345558259 /nfs/dbraw/zinc/55/82/59/345558259.db2.gz ACEDEWVLILXLEE-VIFPVBQESA-N 0 0 240.278 2.364 10 0 BEAERN Cc1cc2c(ncnc2NC[C@H](C)CO)s1 ZINC000090072912 345564859 /nfs/dbraw/zinc/56/48/59/345564859.db2.gz UOKNVIQLNZJYRD-ZETCQYMHSA-N 0 0 237.328 2.040 10 0 BEAERN CCCc1nnc(N[C@H](C)[C@H]2CCCO2)s1 ZINC000091427177 345592243 /nfs/dbraw/zinc/59/22/43/345592243.db2.gz PKDDNMMIDCPAEO-RKDXNWHRSA-N 0 0 241.360 2.470 10 0 BEAERN CCCc1nnc(N[C@H](C)[C@@H]2CCCO2)s1 ZINC000091427170 345592398 /nfs/dbraw/zinc/59/23/98/345592398.db2.gz PKDDNMMIDCPAEO-BDAKNGLRSA-N 0 0 241.360 2.470 10 0 BEAERN O[C@@H]1CCCC[C@@H]1n1nccc1Br ZINC000137313983 345604418 /nfs/dbraw/zinc/60/44/18/345604418.db2.gz NCHMPDNXOXRSMX-JGVFFNPUSA-N 0 0 245.120 2.122 10 0 BEAERN C[C@H](Cn1cc(N)cn1)CC(F)(F)F ZINC000402792937 537898878 /nfs/dbraw/zinc/89/88/78/537898878.db2.gz UGVZZCIQVKNHLP-LURJTMIESA-N 0 0 207.199 2.054 10 0 BEAERN Cc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1N ZINC000403792458 537903479 /nfs/dbraw/zinc/90/34/79/537903479.db2.gz BMDBALBXUUQPHJ-MXWKQRLJSA-N 0 0 205.305 2.040 10 0 BEAERN Cc1cc(Nc2ncnc3sccc32)nn1C ZINC000092826099 345644846 /nfs/dbraw/zinc/64/48/46/345644846.db2.gz OSVXUUFORANIHC-UHFFFAOYSA-N 0 0 245.311 2.477 10 0 BEAERN C[C@@H]1CC[C@H]1Nc1ncc(Br)cn1 ZINC000114787032 345676428 /nfs/dbraw/zinc/67/64/28/345676428.db2.gz OFYADMQOPCQSRI-HTRCEHHLSA-N 0 0 242.120 2.450 10 0 BEAERN CC(C)(C)Sc1ccc(-c2nn[nH]n2)cn1 ZINC000095139839 345682377 /nfs/dbraw/zinc/68/23/77/345682377.db2.gz OFNYBQZUXWJSOF-UHFFFAOYSA-N 0 0 235.316 2.152 10 0 BEAERN COc1ccc2cc(-c3nn[nH]n3)ccc2c1 ZINC000095192093 345683413 /nfs/dbraw/zinc/68/34/13/345683413.db2.gz RELFMOVQSYSVRY-UHFFFAOYSA-N 0 0 226.239 2.029 10 0 BEAERN Clc1cccc(Cl)c1CCc1nn[nH]n1 ZINC000095218459 345684232 /nfs/dbraw/zinc/68/42/32/345684232.db2.gz VQPLUTPOCUQDFM-UHFFFAOYSA-N 0 0 243.097 2.292 10 0 BEAERN OCc1ccc(Oc2ccccc2)c(CO)c1 ZINC000082077272 345752174 /nfs/dbraw/zinc/75/21/74/345752174.db2.gz QKNNPNNTAZXRAM-UHFFFAOYSA-N 0 0 230.263 2.464 10 0 BEAERN C/C=C\CS(=O)(=O)c1ccc(C)cc1 ZINC000111337063 345752923 /nfs/dbraw/zinc/75/29/23/345752923.db2.gz WCTXVIZVJWOLBD-ARJAWSKDSA-N 0 0 210.298 2.345 10 0 BEAERN C[C@H](O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000113399220 345753375 /nfs/dbraw/zinc/75/33/75/345753375.db2.gz ZJHXADRDRNHFRO-SSDLBLMSSA-N 0 0 221.083 2.408 10 0 BEAERN CC1(C)C(=O)N(C2CCCCCC2)C[C@@H]1CO ZINC000113655377 345754280 /nfs/dbraw/zinc/75/42/80/345754280.db2.gz KPVCORADBRNCHZ-LLVKDONJSA-N 0 0 239.359 2.186 10 0 BEAERN CC(C)(O)Cn1cc(-c2ccccc2)nc1C=O ZINC000113423629 345754403 /nfs/dbraw/zinc/75/44/03/345754403.db2.gz GHPFQGHYIYPIAJ-UHFFFAOYSA-N 0 0 244.294 2.134 10 0 BEAERN Nc1cc(Cl)ccc1O[C@H]1CC[C@H](CO)C1 ZINC000113653903 345754536 /nfs/dbraw/zinc/75/45/36/345754536.db2.gz INIORSSITPVKJU-WPRPVWTQSA-N 0 0 241.718 2.462 10 0 BEAERN COc1cc(C)cc(OC(=S)N(C)C)c1 ZINC000113706378 345754548 /nfs/dbraw/zinc/75/45/48/345754548.db2.gz VRQKLRJSRQVSFH-UHFFFAOYSA-N 0 0 225.313 2.229 10 0 BEAERN CC1(C)CC[S@](=O)c2ccc(C=O)cc21 ZINC000114357796 345756488 /nfs/dbraw/zinc/75/64/88/345756488.db2.gz RPIMZERFYVHHSJ-OAHLLOKOSA-N 0 0 222.309 2.288 10 0 BEAERN CCCCCC1CCS(=O)(=O)CC1 ZINC000032216313 345756607 /nfs/dbraw/zinc/75/66/07/345756607.db2.gz UOSSYAXINWRLSL-UHFFFAOYSA-N 0 0 204.335 2.392 10 0 BEAERN OCCCCc1ccc(Br)cn1 ZINC000137943778 345708663 /nfs/dbraw/zinc/70/86/63/345708663.db2.gz UXDBJLXLIYUTFI-UHFFFAOYSA-N 0 0 230.105 2.159 10 0 BEAERN O=[N+]([O-])c1cnc2ccncc2c1Cl ZINC000168228375 345757460 /nfs/dbraw/zinc/75/74/60/345757460.db2.gz DBMJGWUJFRSOPQ-UHFFFAOYSA-N 0 0 209.592 2.191 10 0 BEAERN Nc1ccc(C(=O)Nc2ccccc2)cc1N ZINC000138074152 345719552 /nfs/dbraw/zinc/71/95/52/345719552.db2.gz QZYWLWLZDOMVDK-UHFFFAOYSA-N 0 0 227.267 2.103 10 0 BEAERN CC1(C)CCCC(C(=O)C(F)F)=C1O ZINC000124576795 537907818 /nfs/dbraw/zinc/90/78/18/537907818.db2.gz RUVYCEUPYOHIJQ-LURJTMIESA-N 0 0 204.216 2.216 10 0 BEAERN COC(=O)C=CNc1ccccc1Cl ZINC000206610316 345758019 /nfs/dbraw/zinc/75/80/19/345758019.db2.gz GVVBARKXTFFNME-SREVYHEPSA-N 0 0 211.648 2.439 10 0 BEAERN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1cccnc1 ZINC000204500470 345732018 /nfs/dbraw/zinc/73/20/18/345732018.db2.gz SGWMUNSBOHDMKG-GFCCVEGCSA-N 0 0 236.315 2.013 10 0 BEAERN Cc1c(CO)c(CO)c2n1CCc1ccccc1-2 ZINC000207402763 345758666 /nfs/dbraw/zinc/75/86/66/345758666.db2.gz CARTYNFHHPTSNN-UHFFFAOYSA-N 0 0 243.306 2.004 10 0 BEAERN C[C@]1(c2csc(Cl)c2)CNC(=O)C1 ZINC000235727284 345807909 /nfs/dbraw/zinc/80/79/09/345807909.db2.gz HTPFQQRXKJBWGJ-SECBINFHSA-N 0 0 215.705 2.179 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(COC)ncn1 ZINC000381410814 345812662 /nfs/dbraw/zinc/81/26/62/345812662.db2.gz ULWFFEWQADPQLF-GXSJLCMTSA-N 0 0 221.304 2.224 10 0 BEAERN CCOC(=O)C=CNc1ccc(OC)cc1 ZINC000136419262 345813281 /nfs/dbraw/zinc/81/32/81/345813281.db2.gz XWPWLSPXWPPEJI-CMDGGOBGSA-N 0 0 221.256 2.184 10 0 BEAERN Nc1c2ccc(F)cc2nc2c1C(=O)CCC2 ZINC000034192534 345818945 /nfs/dbraw/zinc/81/89/45/345818945.db2.gz BQODEXMWLQQVQQ-UHFFFAOYSA-N 0 0 230.242 2.475 10 0 BEAERN Cc1ccc(C(=O)[C@@H](O)c2ccc(C)o2)o1 ZINC000034217480 345819828 /nfs/dbraw/zinc/81/98/28/345819828.db2.gz XFEDLVNZHYWKRN-NSHDSACASA-N 0 0 220.224 2.406 10 0 BEAERN Cc1c2c(c(C)c(C)c1O)O[C@@](C)(CCO)C2 ZINC000034276134 345820311 /nfs/dbraw/zinc/82/03/11/345820311.db2.gz CUVSGNLPEWBVRP-AWEZNQCLSA-N 0 0 236.311 2.393 10 0 BEAERN c1cc2cnccc2c(N2CCOCC2)c1 ZINC000082801026 345762944 /nfs/dbraw/zinc/76/29/44/345762944.db2.gz HWESQZMTXUGRRU-UHFFFAOYSA-N 0 0 214.268 2.071 10 0 BEAERN O=C(Cc1ccsc1)[C@H]1CCCCO1 ZINC000050964038 345766156 /nfs/dbraw/zinc/76/61/56/345766156.db2.gz IFEXIWZBCCRIBN-LLVKDONJSA-N 0 0 210.298 2.429 10 0 BEAERN CCO[C@@H]1OC(=O)[C@@H]2[C@H](C)CC[C@@H]2[C@H]1C ZINC000257353693 345774534 /nfs/dbraw/zinc/77/45/34/345774534.db2.gz SQKOYPMIMBRHSW-SANCVJEGSA-N 0 0 212.289 2.204 10 0 BEAERN OC[C@@H](F)Cc1ccc(Br)cc1 ZINC000258030667 345779293 /nfs/dbraw/zinc/77/92/93/345779293.db2.gz NVAVPZNJOGJCOP-VIFPVBQESA-N 0 0 233.080 2.322 10 0 BEAERN O[C@H]1/C(=C\c2ccccc2)[NH+]2CCC1CC2 ZINC000033477291 345799361 /nfs/dbraw/zinc/79/93/61/345799361.db2.gz XCJLSGXSDDYLKZ-JWAFFJSPSA-N 0 0 215.296 2.114 10 0 BEAERN C[Si](C)(C)c1ccc(Cn2cccn2)cc1 ZINC000235744791 345842796 /nfs/dbraw/zinc/84/27/96/345842796.db2.gz ROEWSGRIIXKKCX-UHFFFAOYSA-N 0 0 230.387 2.477 10 0 BEAERN COC(=O)c1c(C)n(C)nc1-c1ccc(F)cc1 ZINC000142831826 345863768 /nfs/dbraw/zinc/86/37/68/345863768.db2.gz KHHWOMGBJZZIJI-UHFFFAOYSA-N 0 0 248.257 2.321 10 0 BEAERN CC(=O)Nc1cc(C)c(C(C)=O)c(F)c1 ZINC000215655658 345848810 /nfs/dbraw/zinc/84/88/10/345848810.db2.gz CJDDDDLYNDNZSG-UHFFFAOYSA-N 0 0 209.220 2.295 10 0 BEAERN c1nc2scc(-c3ccccc3)n2n1 ZINC000137838308 345849134 /nfs/dbraw/zinc/84/91/34/345849134.db2.gz GXHVVHWZMWNSBX-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN N#CN1Cc2ccc(Br)cc2C1 ZINC000218546819 345853242 /nfs/dbraw/zinc/85/32/42/345853242.db2.gz RHTAMZHFQRKWCG-UHFFFAOYSA-N 0 0 223.073 2.246 10 0 BEAERN Cc1nc(N(C)[C@@H]2CCSC2)sc1C=O ZINC000054966793 345857762 /nfs/dbraw/zinc/85/77/62/345857762.db2.gz MWQXOGHPMOKAMH-MRVPVSSYSA-N 0 0 242.369 2.206 10 0 BEAERN COC(=O)/C=C/Cc1cc(F)c(F)cc1F ZINC000140976096 345859480 /nfs/dbraw/zinc/85/94/80/345859480.db2.gz NYAKPQJAKUFZEI-DUXPYHPUSA-N 0 0 230.185 2.376 10 0 BEAERN Nc1c(O)cc(Cl)cc1Br ZINC000034579845 347087533 /nfs/dbraw/zinc/08/75/33/347087533.db2.gz WNGKKOGQYGZQFO-UHFFFAOYSA-N 0 0 222.469 2.390 10 0 BEAERN Nc1cc(-c2ccccn2)nc2cnccc12 ZINC000034546486 345831381 /nfs/dbraw/zinc/83/13/81/345831381.db2.gz WIUINJPPYURNQB-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN COC(=O)Cc1ccc(CCCCCO)cc1 ZINC000034433085 345833697 /nfs/dbraw/zinc/83/36/97/345833697.db2.gz LJMJHJZIAQPHHE-UHFFFAOYSA-N 0 0 236.311 2.107 10 0 BEAERN CC[C@H](C(=O)OC)c1ccc(C#CCCO)cc1 ZINC000034484014 345835284 /nfs/dbraw/zinc/83/52/84/345835284.db2.gz WGUUBURBXCPSLP-AWEZNQCLSA-N 0 0 246.306 2.087 10 0 BEAERN CC(=O)[C@](O)(c1ccccc1)C1CCC1 ZINC000034616484 345837926 /nfs/dbraw/zinc/83/79/26/345837926.db2.gz CRGLVYGCZFRDDV-ZDUSSCGKSA-N 0 0 204.269 2.263 10 0 BEAERN C/C=C(/C[C@@H](CCCC)C(=O)OC)C(=O)OC ZINC000034618464 345838535 /nfs/dbraw/zinc/83/85/35/345838535.db2.gz UPYVTRQREMLLKG-SDKXAQGSSA-N 0 0 242.315 2.475 10 0 BEAERN COc1cc(OC)c(CO)c2ccccc12 ZINC000143326682 345865284 /nfs/dbraw/zinc/86/52/84/345865284.db2.gz CTGUJGADFAUBLZ-UHFFFAOYSA-N 0 0 218.252 2.349 10 0 BEAERN CCOC(=O)c1ccc2c(c1)C[C@H](CCCO)C2 ZINC000143715249 345866648 /nfs/dbraw/zinc/86/66/48/345866648.db2.gz SHLFCXLYMVMINN-LLVKDONJSA-N 0 0 248.322 2.351 10 0 BEAERN NNc1ccc(Oc2ccccn2)cc1 ZINC000142620816 345872811 /nfs/dbraw/zinc/87/28/11/345872811.db2.gz KSRAFMOAYXDUFB-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN Cc1cc(Cl)cc2c1OC[C@@H](CO)C2 ZINC000235794624 345904598 /nfs/dbraw/zinc/90/45/98/345904598.db2.gz WISHKESPSAGUCF-MRVPVSSYSA-N 0 0 212.676 2.192 10 0 BEAERN Cc1cc[nH]c(=S)c1Br ZINC000235794090 345905008 /nfs/dbraw/zinc/90/50/08/345905008.db2.gz BUKFSKJOIFPUSG-UHFFFAOYSA-N 0 0 204.092 2.441 10 0 BEAERN CC(=C\I)/C=C(\C)CO ZINC000143970779 345914243 /nfs/dbraw/zinc/91/42/43/345914243.db2.gz TUAKXZDRQUNUER-DVFLZCIWSA-N 0 0 238.068 2.264 10 0 BEAERN CCn1ccnc1C[C@]1(C)CCC(=O)C1 ZINC000166877173 345925111 /nfs/dbraw/zinc/92/51/11/345925111.db2.gz HYWYVDKNSSTVGW-GFCCVEGCSA-N 0 0 206.289 2.205 10 0 BEAERN CCOC(=O)C(C)=C1C[C@@H](C)O[C@H](C)C1 ZINC000166928489 345953499 /nfs/dbraw/zinc/95/34/99/345953499.db2.gz VXNFFBBHLDJHQN-RKDXNWHRSA-N 0 0 212.289 2.453 10 0 BEAERN Cc1ccc(CC(=O)C2([NH3+])CC2)c(Cl)c1 ZINC000235874540 345956120 /nfs/dbraw/zinc/95/61/20/345956120.db2.gz DVONAUFHRLIFPL-UHFFFAOYSA-N 0 0 223.703 2.251 10 0 BEAERN O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC=CCN1 ZINC000628222258 345960624 /nfs/dbraw/zinc/96/06/24/345960624.db2.gz KXKOXAWITNTKCZ-MGPQQGTHSA-N 0 0 248.370 2.496 10 0 BEAERN O=C([C@H]1CCCc2sccc21)N1CC=CCN1 ZINC000628222985 345962675 /nfs/dbraw/zinc/96/26/75/345962675.db2.gz NGOFWAGYTYRUNQ-NSHDSACASA-N 0 0 248.351 2.071 10 0 BEAERN Cc1ccc(Cl)cc1C(=O)N1CC=CCN1 ZINC000628223159 345963411 /nfs/dbraw/zinc/96/34/11/345963411.db2.gz UPZIOGQGPJKKSN-UHFFFAOYSA-N 0 0 236.702 2.165 10 0 BEAERN CC(C)(C)c1cnn(-c2ccc(N)cn2)c1 ZINC000145431255 345936398 /nfs/dbraw/zinc/93/63/98/345936398.db2.gz VYPNEZUOJPWFNT-UHFFFAOYSA-N 0 0 216.288 2.147 10 0 BEAERN Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1 ZINC000088417716 345944283 /nfs/dbraw/zinc/94/42/83/345944283.db2.gz GYPCMRIMFJGEFW-UHFFFAOYSA-N 0 0 245.248 2.443 10 0 BEAERN CC1(C)CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000166906859 345949678 /nfs/dbraw/zinc/94/96/78/345949678.db2.gz XPVSFCXSYMILEH-SNVBAGLBSA-N 0 0 221.304 2.410 10 0 BEAERN O=Cc1ccc(-c2nnc(C3CC3)o2)cc1 ZINC000118785023 537928248 /nfs/dbraw/zinc/92/82/48/537928248.db2.gz QMPQDBSWAAZICU-UHFFFAOYSA-N 0 0 214.224 2.427 10 0 BEAERN CCc1nn(C[C@@H]2C[C@@H]2C)c(CC)c1N ZINC000722671237 537928774 /nfs/dbraw/zinc/92/87/74/537928774.db2.gz WGVQHYKJTMDMSI-IUCAKERBSA-N 0 0 207.321 2.246 10 0 BEAERN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCC1 ZINC000005489861 345988677 /nfs/dbraw/zinc/98/86/77/345988677.db2.gz YDVBLKDIWQKVIL-OLZOCXBDSA-N 0 0 215.296 2.413 10 0 BEAERN CCc1cc(O)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000191081966 345990723 /nfs/dbraw/zinc/99/07/23/345990723.db2.gz DKOQZBQLZSVLJF-NOZJJQNGSA-N 0 0 249.310 2.461 10 0 BEAERN O[C@H](CCCOCc1ccccc1)c1cn[nH]c1 ZINC000719405728 537932283 /nfs/dbraw/zinc/93/22/83/537932283.db2.gz NALPUCNAUSDKHE-CQSZACIVSA-N 0 0 246.310 2.440 10 0 BEAERN CC[S@@](=O)c1ccc(N)cc1Br ZINC000148299134 346034610 /nfs/dbraw/zinc/03/46/10/346034610.db2.gz GZNCLHYQSFTTAE-LBPRGKRZSA-N 0 0 248.145 2.159 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(C(=O)OC)ccn1 ZINC000300577230 346035917 /nfs/dbraw/zinc/03/59/17/346035917.db2.gz DUJONZVQQUIVPL-KOLCDFICSA-N 0 0 234.299 2.469 10 0 BEAERN Cc1nc(Cl)c(C)c(C(=O)Cl)n1 ZINC000148599542 346037155 /nfs/dbraw/zinc/03/71/55/346037155.db2.gz LAJRILJDIFUFAF-UHFFFAOYSA-N 0 0 205.044 2.126 10 0 BEAERN CC(C)n1c(N)nc2cc(Cl)cnc21 ZINC000148763720 346046919 /nfs/dbraw/zinc/04/69/19/346046919.db2.gz XWJXQZXSBJXSPQ-UHFFFAOYSA-N 0 0 210.668 2.248 10 0 BEAERN CCOC(=O)c1c[nH]c(-c2ccccn2)c1 ZINC000096304394 346108497 /nfs/dbraw/zinc/10/84/97/346108497.db2.gz MGOUSUZKDYFQFI-UHFFFAOYSA-N 0 0 216.240 2.253 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1ccccc1F ZINC000096304375 346108500 /nfs/dbraw/zinc/10/85/00/346108500.db2.gz SJBDFRUXIUOGMY-SECBINFHSA-N 0 0 249.241 2.101 10 0 BEAERN CCOC(=O)c1cnn2c1cccc2Cl ZINC000096320948 346112241 /nfs/dbraw/zinc/11/22/41/346112241.db2.gz WWDPYURJHGOEKN-UHFFFAOYSA-N 0 0 224.647 2.164 10 0 BEAERN COc1cccc2c1N[C@H](C(C)C)[C@H](O)C2 ZINC000685962987 537946042 /nfs/dbraw/zinc/94/60/42/537946042.db2.gz CQXOVUCLLVOGGL-ZYHUDNBSSA-N 0 0 221.300 2.049 10 0 BEAERN CC(C)NC(=O)C[C@H](C)c1cccnc1 ZINC000062617732 346169503 /nfs/dbraw/zinc/16/95/03/346169503.db2.gz RAGAGAAECWAPDI-JTQLQIEISA-N 0 0 206.289 2.100 10 0 BEAERN CCOC(=O)/C=C/[C@H]1CCCC[C@@H]1C=O ZINC000150286757 346169800 /nfs/dbraw/zinc/16/98/00/346169800.db2.gz NWXUWDUIJWVWOJ-QSNNZYTBSA-N 0 0 210.273 2.111 10 0 BEAERN CCC[C@H]1CCC[C@@H](S(=O)(=O)NC)CC1 ZINC000669375605 537954555 /nfs/dbraw/zinc/95/45/55/537954555.db2.gz OMDGZYPVLSIHNU-WDEREUQCSA-N 0 0 233.377 2.285 10 0 BEAERN CC[C@@H](C(=O)N1CC=CCN1)c1ccccc1 ZINC000628226115 346173123 /nfs/dbraw/zinc/17/31/23/346173123.db2.gz AYGMOPCNTBOACE-CYBMUJFWSA-N 0 0 230.311 2.083 10 0 BEAERN CCc1sc(C(=O)N2CC=CCN2)cc1C ZINC000628226519 346173649 /nfs/dbraw/zinc/17/36/49/346173649.db2.gz QZMHDTBKIYMHQZ-UHFFFAOYSA-N 0 0 236.340 2.136 10 0 BEAERN Cc1nc(C)c(-c2nnc(Cl)o2)s1 ZINC000235953384 346175018 /nfs/dbraw/zinc/17/50/18/346175018.db2.gz ZJQTXKMYUXWDEG-UHFFFAOYSA-N 0 0 215.665 2.463 10 0 BEAERN Cc1ncc([C@H](NN)C2CCCC2)s1 ZINC000235958768 346175640 /nfs/dbraw/zinc/17/56/40/346175640.db2.gz BFZGVPXBWJGSJB-SNVBAGLBSA-N 0 0 211.334 2.146 10 0 BEAERN CCNc1ncc(N)c(C)c1Br ZINC000167003501 346178981 /nfs/dbraw/zinc/17/89/81/346178981.db2.gz GNIJAJFBCPTOKB-UHFFFAOYSA-N 0 0 230.109 2.167 10 0 BEAERN Fc1cc(F)cc([C@H]2NCCS2)c1 ZINC000236157749 346200444 /nfs/dbraw/zinc/20/04/44/346200444.db2.gz BZJPTDFQUDYWHR-VIFPVBQESA-N 0 0 201.241 2.300 10 0 BEAERN C=C(P(=O)(OC)OC)P(=O)(OC)OC ZINC000034120016 346202507 /nfs/dbraw/zinc/20/25/07/346202507.db2.gz BRRCNRQMFCNJFJ-UHFFFAOYSA-N 0 0 244.120 2.429 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCC[C@H](CC(C)C)C1 ZINC000669375496 537956235 /nfs/dbraw/zinc/95/62/35/537956235.db2.gz LYFKLCVUOKEHSF-GHMZBOCLSA-N 0 0 233.377 2.141 10 0 BEAERN CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000669375717 537956315 /nfs/dbraw/zinc/95/63/15/537956315.db2.gz RQLKJSVCXVNRJD-UWVGGRQHSA-N 0 0 233.377 2.141 10 0 BEAERN CNS(=O)(=O)[C@H]1CCC[C@H](CC(C)C)C1 ZINC000669375497 537956599 /nfs/dbraw/zinc/95/65/99/537956599.db2.gz LYFKLCVUOKEHSF-MNOVXSKESA-N 0 0 233.377 2.141 10 0 BEAERN CC[C@@H](O)c1cccnc1Br ZINC000034146072 346210121 /nfs/dbraw/zinc/21/01/21/346210121.db2.gz BLHGLKPMVKFVMH-SSDOTTSWSA-N 0 0 216.078 2.288 10 0 BEAERN O=Cc1cc(F)cc(-n2cc(Cl)cn2)c1 ZINC000236240726 346213427 /nfs/dbraw/zinc/21/34/27/346213427.db2.gz SGVQIJIQYPTNIT-UHFFFAOYSA-N 0 0 224.622 2.477 10 0 BEAERN CO[C@H](C)CNc1cccc(F)c1F ZINC000167025131 346182090 /nfs/dbraw/zinc/18/20/90/346182090.db2.gz UBFXDKFCUMPRPZ-SSDOTTSWSA-N 0 0 201.216 2.412 10 0 BEAERN Cc1nc2sc3c(c2c(N)n1)CCC3 ZINC000005337938 346190863 /nfs/dbraw/zinc/19/08/63/346190863.db2.gz RAXJGHBMZWJBFR-UHFFFAOYSA-N 0 0 205.286 2.071 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000669375499 537955396 /nfs/dbraw/zinc/95/53/96/537955396.db2.gz LYFKLCVUOKEHSF-WDEREUQCSA-N 0 0 233.377 2.141 10 0 BEAERN CNS(=O)(=O)[C@@H]1CCCCc2ccccc21 ZINC000669375689 537955667 /nfs/dbraw/zinc/95/56/67/537955667.db2.gz QMZJLGYTHHROGX-GFCCVEGCSA-N 0 0 239.340 2.003 10 0 BEAERN Nc1cnc(Cl)nc1OCc1ccccc1 ZINC000236364311 346232178 /nfs/dbraw/zinc/23/21/78/346232178.db2.gz MYRRKGFBBMOSSC-UHFFFAOYSA-N 0 0 235.674 2.291 10 0 BEAERN Nc1cc(NCc2ccccc2)sn1 ZINC000236365419 346232205 /nfs/dbraw/zinc/23/22/05/346232205.db2.gz VRWCIIHFBYWFNY-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN Nc1nc(-c2occc2Br)ns1 ZINC000236365585 346233036 /nfs/dbraw/zinc/23/30/36/346233036.db2.gz LRXPBCXEEVSHKB-UHFFFAOYSA-N 0 0 246.089 2.143 10 0 BEAERN CO[C@H](C)C[C@@H]1Cc2ccccc2C1=O ZINC000167253278 346223582 /nfs/dbraw/zinc/22/35/82/346223582.db2.gz HZWLBQKUKVATID-MWLCHTKSSA-N 0 0 204.269 2.467 10 0 BEAERN N[C@@H](Cc1c(F)cccc1F)C(F)F ZINC000236302597 346225546 /nfs/dbraw/zinc/22/55/46/346225546.db2.gz KSSMEVOPILENEH-QMMMGPOBSA-N 0 0 207.170 2.100 10 0 BEAERN O=C(Cc1cccs1)[C@H]1CCCOC1 ZINC000062236728 346225594 /nfs/dbraw/zinc/22/55/94/346225594.db2.gz RBCFXHTWCDNKAQ-VIFPVBQESA-N 0 0 210.298 2.286 10 0 BEAERN OC1(CNOCc2ccccc2)CCCCC1 ZINC000034218156 346226560 /nfs/dbraw/zinc/22/65/60/346226560.db2.gz GAIWXPKYMKVONM-UHFFFAOYSA-N 0 0 235.327 2.403 10 0 BEAERN CO[C@H](C)Cn1cc2c(c1)C(=O)CCC2 ZINC000167355219 346239571 /nfs/dbraw/zinc/23/95/71/346239571.db2.gz GWNVKFLDQAGVGF-SECBINFHSA-N 0 0 207.273 2.042 10 0 BEAERN Cc1cccc(C(=O)N2CC[C@H](CCO)C2)c1C ZINC000123033438 179011860 /nfs/dbraw/zinc/01/18/60/179011860.db2.gz MTGDIJIBLOTSIT-CYBMUJFWSA-N 0 0 247.338 2.148 10 0 BEAERN Cc1cc(C=O)cc(Br)c1[O-] ZINC000034307647 346244028 /nfs/dbraw/zinc/24/40/28/346244028.db2.gz HKPOOQQDKQNPCQ-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]2C3)c1N ZINC000049715763 179013017 /nfs/dbraw/zinc/01/30/17/179013017.db2.gz ZTRPXEJUIIIGCE-MNOVXSKESA-N 0 0 230.311 2.202 10 0 BEAERN OCc1cnc(-c2ncccc2Cl)s1 ZINC000236512570 346247192 /nfs/dbraw/zinc/24/71/92/346247192.db2.gz QAIWWJRNDSKCHU-UHFFFAOYSA-N 0 0 226.688 2.351 10 0 BEAERN OCc1ccc(Sc2ncco2)cc1 ZINC000236517584 346247368 /nfs/dbraw/zinc/24/73/68/346247368.db2.gz JWWUXPOJWJVBNY-UHFFFAOYSA-N 0 0 207.254 2.318 10 0 BEAERN C[C@H](CC(F)(F)F)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300675799 346247375 /nfs/dbraw/zinc/24/73/75/346247375.db2.gz TZAYXLNUGWAPQT-LURQLKTLSA-N 0 0 235.249 2.490 10 0 BEAERN CNS(=O)(=O)[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000669375950 537959263 /nfs/dbraw/zinc/95/92/63/537959263.db2.gz ZQSXOSCQJUHBSN-BXKDBHETSA-N 0 0 239.340 2.174 10 0 BEAERN CC[C@H](CC1CCCCC1)S(=O)(=O)NC ZINC000669376424 537961142 /nfs/dbraw/zinc/96/11/42/537961142.db2.gz RUZFAOQDDMPIKY-LLVKDONJSA-N 0 0 233.377 2.285 10 0 BEAERN Cc1cccc(C(=O)N[C@H](C)C(C)C)c1N ZINC000020360802 179023764 /nfs/dbraw/zinc/02/37/64/179023764.db2.gz BTJDZOFCSVJTDR-SNVBAGLBSA-N 0 0 220.316 2.352 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCO[C@H]2C)c1F ZINC000149544992 179024666 /nfs/dbraw/zinc/02/46/66/179024666.db2.gz DPUHZTKMCKVGHE-ONGXEEELSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1C ZINC000052001570 179024942 /nfs/dbraw/zinc/02/49/42/179024942.db2.gz FHHZAJSSKIFVOP-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN C[C@H]1CC[C@@](CC(=O)OC(C)(C)C)(ON)C1 ZINC000675052564 537963610 /nfs/dbraw/zinc/96/36/10/537963610.db2.gz BJYZPGKIKYMFFR-JOYOIKCWSA-N 0 0 229.320 2.167 10 0 BEAERN CNc1nc([C@@H](OC)C(C)(C)C)ns1 ZINC000158928077 346267589 /nfs/dbraw/zinc/26/75/89/346267589.db2.gz JWQPXFZAZHMXKA-ZCFIWIBFSA-N 0 0 215.322 2.313 10 0 BEAERN Cc1cccc(C(=O)[O-])c1OCC[NH+]1CCCC1 ZINC000037729697 179025892 /nfs/dbraw/zinc/02/58/92/179025892.db2.gz ATWGFOWNNGRWAD-UHFFFAOYSA-N 0 0 249.310 2.168 10 0 BEAERN Cc1cccc(C(=O)N[C@@H](C)C(C)C)c1N ZINC000020360803 179019124 /nfs/dbraw/zinc/01/91/24/179019124.db2.gz BTJDZOFCSVJTDR-JTQLQIEISA-N 0 0 220.316 2.352 10 0 BEAERN Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1C ZINC000052001562 179021417 /nfs/dbraw/zinc/02/14/17/179021417.db2.gz FHHZAJSSKIFVOP-KGLIPLIRSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1ccc([C@H](N)C(=O)C2CCC2)cc1 ZINC000669376846 537962444 /nfs/dbraw/zinc/96/24/44/537962444.db2.gz YHHOYOLSCTZHCC-LBPRGKRZSA-N 0 0 203.285 2.364 10 0 BEAERN CC(C)(C)n1cnc2ccccc2c1=O ZINC000005610594 346282535 /nfs/dbraw/zinc/28/25/35/346282535.db2.gz RHIUXFJPXJOQMK-UHFFFAOYSA-N 0 0 202.257 2.152 10 0 BEAERN Cc1cccc(C)c1C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000297868319 179030731 /nfs/dbraw/zinc/03/07/31/179030731.db2.gz ZIVZXXWGNQTLMX-QWHCGFSZSA-N 0 0 247.338 2.289 10 0 BEAERN Cc1cccc(C(=O)c2cncnc2)c1C ZINC000045028860 179026735 /nfs/dbraw/zinc/02/67/35/179026735.db2.gz HYLVIIYQGJFUEX-UHFFFAOYSA-N 0 0 212.252 2.324 10 0 BEAERN O=C(N1C[C@H]2CCC[C@@H]21)N1CCCCCC1 ZINC000641747466 362673820 /nfs/dbraw/zinc/67/38/20/362673820.db2.gz JRSBMNBAUPRZCO-NEPJUHHUSA-N 0 0 222.332 2.467 10 0 BEAERN Cc1cccc(C)c1N1CC[C@@H](CO)C1 ZINC000011892801 179039934 /nfs/dbraw/zinc/03/99/34/179039934.db2.gz MUAYQLXKUSCRJJ-GFCCVEGCSA-N 0 0 205.301 2.122 10 0 BEAERN Cc1cccc(C)c1N[C@H]1CCOC1=O ZINC000039236718 179044608 /nfs/dbraw/zinc/04/46/08/179044608.db2.gz QNCHSVFDXFQFLD-JTQLQIEISA-N 0 0 205.257 2.031 10 0 BEAERN Cc1ccoc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000381555227 346341641 /nfs/dbraw/zinc/34/16/41/346341641.db2.gz OFQGCWAPYMJMGR-JGPRNRPPSA-N 0 0 219.284 2.250 10 0 BEAERN Cc1cccc(CCNc2cccnn2)c1 ZINC000052831399 179061583 /nfs/dbraw/zinc/06/15/83/179061583.db2.gz NCSIVOLCYWAOJZ-UHFFFAOYSA-N 0 0 213.284 2.440 10 0 BEAERN Cc1cccc(CCNc2ccncn2)c1 ZINC000051670482 179061638 /nfs/dbraw/zinc/06/16/38/179061638.db2.gz AMKUFELOEKXWLV-UHFFFAOYSA-N 0 0 213.284 2.440 10 0 BEAERN O=C1CN2C=C(Cl)C=C(Cl)C2=N1 ZINC000402785469 346383578 /nfs/dbraw/zinc/38/35/78/346383578.db2.gz FAZBHAZNAHCOPS-UHFFFAOYSA-N 0 0 203.028 2.347 10 0 BEAERN CC[C@H](C)c1nnc(Br)o1 ZINC000157852086 346387383 /nfs/dbraw/zinc/38/73/83/346387383.db2.gz FZMXAQZSIJNRFP-BYPYZUCNSA-N 0 0 205.055 2.346 10 0 BEAERN Cc1cccc(C(=O)c2cnsn2)c1 ZINC000158591883 346399659 /nfs/dbraw/zinc/39/96/59/346399659.db2.gz FPZMKLOLUUCOTJ-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN O=C(Cc1cccs1)c1cnns1 ZINC000159291489 346415788 /nfs/dbraw/zinc/41/57/88/346415788.db2.gz OSJVDQYBGVEXEB-UHFFFAOYSA-N 0 0 210.283 2.025 10 0 BEAERN Cc1cccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000187909671 179086483 /nfs/dbraw/zinc/08/64/83/179086483.db2.gz LOVPZNAHHLJHEL-TZMCWYRMSA-N 0 0 247.338 2.426 10 0 BEAERN CCCn1c(N)nc2cc(Cl)cnc21 ZINC000148775189 346436981 /nfs/dbraw/zinc/43/69/81/346436981.db2.gz CEBNPAJMRHXNEY-UHFFFAOYSA-N 0 0 210.668 2.077 10 0 BEAERN CC(=O)[C@@H](C)Cc1cn2ccsc2n1 ZINC000148802394 346452409 /nfs/dbraw/zinc/45/24/09/346452409.db2.gz PWPQQRPKABJJJR-ZETCQYMHSA-N 0 0 208.286 2.163 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)C2CC2)C1 ZINC000167668773 346462985 /nfs/dbraw/zinc/46/29/85/346462985.db2.gz DBAGVNHLDFJPAM-JTQLQIEISA-N 0 0 239.315 2.223 10 0 BEAERN C[C@H]1CC([C@@H](NN)C(F)F)C[C@H](C)C1 ZINC000229803566 346464000 /nfs/dbraw/zinc/46/40/00/346464000.db2.gz BBSQZEFGMOYCDO-ZXFLCMHBSA-N 0 0 206.280 2.156 10 0 BEAERN c1cn2cc(NC3CCCCC3)cnc2n1 ZINC000148831071 346464220 /nfs/dbraw/zinc/46/42/20/346464220.db2.gz UZBXFPWYARWLGA-UHFFFAOYSA-N 0 0 216.288 2.474 10 0 BEAERN CO[C@@H]1[C@@H](C)[C@H](NCC(C)(F)F)C12CCC2 ZINC000382039107 347094042 /nfs/dbraw/zinc/09/40/42/347094042.db2.gz WXPXQXLYMOXFJQ-LPEHRKFASA-N 0 0 233.302 2.435 10 0 BEAERN CCCC(=O)N[C@H](C)c1cccc(N)c1 ZINC000037177506 168559057 /nfs/dbraw/zinc/55/90/57/168559057.db2.gz DNMVQNZVTPQCFV-SECBINFHSA-N 0 0 206.289 2.246 10 0 BEAERN CCCC(=O)N[C@H](C)c1ccc(N)cc1 ZINC000032011621 168559666 /nfs/dbraw/zinc/55/96/66/168559666.db2.gz CMPNZMGWPMLHQV-SECBINFHSA-N 0 0 206.289 2.246 10 0 BEAERN Cc1cccc(N)c1C(=O)N[C@@H]1CC1(C)C ZINC000045114976 179119247 /nfs/dbraw/zinc/11/92/47/179119247.db2.gz LTZSOLNCPVKCSO-SNVBAGLBSA-N 0 0 218.300 2.106 10 0 BEAERN CN[C@@H](c1csc(C)c1)c1cnsn1 ZINC000163500379 346563730 /nfs/dbraw/zinc/56/37/30/346563730.db2.gz HHISJSOSNQJSAP-VIFPVBQESA-N 0 0 225.342 2.217 10 0 BEAERN Cc1cccc(N)c1NC(=O)CC1CC1 ZINC000049728728 179118958 /nfs/dbraw/zinc/11/89/58/179118958.db2.gz ODTWKROLFCJYCI-UHFFFAOYSA-N 0 0 204.273 2.316 10 0 BEAERN CC(C)[N@@H+]1CCc2c(C(=O)[O-])csc2C1 ZINC000149123809 346554945 /nfs/dbraw/zinc/55/49/45/346554945.db2.gz GEHOXQIGKQEUAX-UHFFFAOYSA-N 0 0 225.313 2.213 10 0 BEAERN C[C@@H]1CC[C@H](n2ncc(C=O)c2N)C[C@@H]1C ZINC000725242369 537984332 /nfs/dbraw/zinc/98/43/32/537984332.db2.gz XKDMVAJLZHUDDE-YWVKMMECSA-N 0 0 221.304 2.275 10 0 BEAERN Cc1cccc(N)c1NC(=O)[C@H]1C[C@H]1C ZINC000036925517 179120897 /nfs/dbraw/zinc/12/08/97/179120897.db2.gz HXOJVXVVLCGLRL-BDAKNGLRSA-N 0 0 204.273 2.172 10 0 BEAERN C[C@]1(C(=O)C2CCOCC2)CCCS1 ZINC000164724888 346620209 /nfs/dbraw/zinc/62/02/09/346620209.db2.gz UIPNAZMLJAKDPM-LLVKDONJSA-N 0 0 214.330 2.268 10 0 BEAERN CO[C@@H](C)c1nnc(Br)s1 ZINC000163941565 346584308 /nfs/dbraw/zinc/58/43/08/346584308.db2.gz GBXUJLPSUACDQH-VKHMYHEASA-N 0 0 223.095 2.008 10 0 BEAERN CCCc1nnc([C@@]2(C)CCCS2)[nH]1 ZINC000164761137 346623582 /nfs/dbraw/zinc/62/35/82/346623582.db2.gz YHVDPUZTVJVADC-SNVBAGLBSA-N 0 0 211.334 2.499 10 0 BEAERN COCC(=O)c1cc(F)ccc1Cl ZINC000164389450 346603026 /nfs/dbraw/zinc/60/30/26/346603026.db2.gz DQFYXEAXRGEUCW-UHFFFAOYSA-N 0 0 202.612 2.308 10 0 BEAERN CC(=O)Nc1c(N)cc(C)cc1Br ZINC000164413154 346603420 /nfs/dbraw/zinc/60/34/20/346603420.db2.gz ZWULTZPSBNOCKH-UHFFFAOYSA-N 0 0 243.104 2.298 10 0 BEAERN Fc1ccc(Cl)c(C2(F)CNC2)c1 ZINC000164544470 346608832 /nfs/dbraw/zinc/60/88/32/346608832.db2.gz ZXRMLBGEGNBTMK-UHFFFAOYSA-N 0 0 203.619 2.247 10 0 BEAERN Cc1cnc([C@@H]2CSCCO2)s1 ZINC000164752133 346622961 /nfs/dbraw/zinc/62/29/61/346622961.db2.gz RWPMBNBNQMBIFQ-ZETCQYMHSA-N 0 0 201.316 2.256 10 0 BEAERN Cc1cccc(N)c1C(=O)N(C)CC1CC1 ZINC000037924789 179119518 /nfs/dbraw/zinc/11/95/18/179119518.db2.gz YSPUSKXYGJNYHV-UHFFFAOYSA-N 0 0 218.300 2.059 10 0 BEAERN Cc1cccc(N)c1C(=O)N1CC[C@@H](C)C1 ZINC000040716643 179119939 /nfs/dbraw/zinc/11/99/39/179119939.db2.gz FYDDBDSVKFEZHW-SECBINFHSA-N 0 0 218.300 2.059 10 0 BEAERN N[C@H](c1cnsn1)c1ccc(Cl)s1 ZINC000164716009 346619513 /nfs/dbraw/zinc/61/95/13/346619513.db2.gz NMJTZZMOKLWKEV-SSDOTTSWSA-N 0 0 231.733 2.301 10 0 BEAERN Cc1cccc(NC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000134926511 179136364 /nfs/dbraw/zinc/13/63/64/179136364.db2.gz BBMKQHFFOPHNMZ-WDEREUQCSA-N 0 0 236.315 2.133 10 0 BEAERN Nc1cc(Cl)ccc1O[C@@H]1CC[C@H](O)C1 ZINC000203993059 346653708 /nfs/dbraw/zinc/65/37/08/346653708.db2.gz VDVPKUCZXPCBJE-DTWKUNHWSA-N 0 0 227.691 2.214 10 0 BEAERN NN[C@H](c1ccsc1)c1cccs1 ZINC000165812844 346658467 /nfs/dbraw/zinc/65/84/67/346658467.db2.gz GFKPXCBVRDXRLN-SECBINFHSA-N 0 0 210.327 2.362 10 0 BEAERN Cc1cccc(NC(=O)Cc2csc(N)n2)c1 ZINC000049663921 179130684 /nfs/dbraw/zinc/13/06/84/179130684.db2.gz JMUOFBVHHPVDFR-UHFFFAOYSA-N 0 0 247.323 2.215 10 0 BEAERN Cc1cccc(NC(=O)[C@H](C)C2CCOCC2)n1 ZINC000120044059 179140378 /nfs/dbraw/zinc/14/03/78/179140378.db2.gz AAGPUVPLEWEZGR-LLVKDONJSA-N 0 0 248.326 2.391 10 0 BEAERN Cc1cccc(NC(=O)c2csc(N)n2)c1 ZINC000055185144 179142738 /nfs/dbraw/zinc/14/27/38/179142738.db2.gz HBCYLSJEDSWTAO-UHFFFAOYSA-N 0 0 233.296 2.286 10 0 BEAERN Cc1cccc(NCC(=O)NC2CCCC2)c1 ZINC000020034800 179143271 /nfs/dbraw/zinc/14/32/71/179143271.db2.gz MKDABKXNJALHEH-UHFFFAOYSA-N 0 0 232.327 2.466 10 0 BEAERN Cc1cccc(NCC(=O)NC(C)C)c1C ZINC000020055844 179144156 /nfs/dbraw/zinc/14/41/56/179144156.db2.gz ZGKPFGAIFBUZHO-UHFFFAOYSA-N 0 0 220.316 2.240 10 0 BEAERN C[C@@H](Nc1cnccc1Cl)C(C)(C)O ZINC000166696227 346686730 /nfs/dbraw/zinc/68/67/30/346686730.db2.gz KAHAXIVCRHXURT-SSDOTTSWSA-N 0 0 214.696 2.306 10 0 BEAERN Cc1cccc(NCCn2ccnc2)c1 ZINC000053520358 179146062 /nfs/dbraw/zinc/14/60/62/179146062.db2.gz PKHYEUVIZLALKC-UHFFFAOYSA-N 0 0 201.273 2.304 10 0 BEAERN CCO[C@H](C)S[C@@H]1CCCC[C@H]1O ZINC000308150490 346701525 /nfs/dbraw/zinc/70/15/25/346701525.db2.gz GWNOCTHYMOWIMD-IVZWLZJFSA-N 0 0 204.335 2.406 10 0 BEAERN Cc1cccc(N[C@H](C(N)=O)c2cccnc2)c1 ZINC000037943467 179155924 /nfs/dbraw/zinc/15/59/24/179155924.db2.gz HXOBITGKESCQJM-ZDUSSCGKSA-N 0 0 241.294 2.029 10 0 BEAERN Nc1ccc2c(c1Br)CCC2=O ZINC000169599536 346766502 /nfs/dbraw/zinc/76/65/02/346766502.db2.gz FKQOUTLPTNSGEL-UHFFFAOYSA-N 0 0 226.073 2.160 10 0 BEAERN CN(C)c1nc(-n2cccc2)nc2ccccc21 ZINC000115193980 346735578 /nfs/dbraw/zinc/73/55/78/346735578.db2.gz PCLGZTQJFNJFFG-UHFFFAOYSA-N 0 0 238.294 2.487 10 0 BEAERN Cc1cccc(OCCC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000171059889 179165159 /nfs/dbraw/zinc/16/51/59/179165159.db2.gz AIWMYHXTALGFNA-AAEUAGOBSA-N 0 0 233.311 2.289 10 0 BEAERN CCCC(=O)Nc1ccccc1N(C)C(C)=O ZINC000118262199 168565205 /nfs/dbraw/zinc/56/52/05/168565205.db2.gz GUKLIVCIGDXCDE-UHFFFAOYSA-N 0 0 234.299 2.408 10 0 BEAERN Cc1cccc(OCCNCc2csnn2)c1 ZINC000042895817 179167550 /nfs/dbraw/zinc/16/75/50/179167550.db2.gz BRIJLLZOWBDKGL-UHFFFAOYSA-N 0 0 249.339 2.015 10 0 BEAERN Cc1cccc(OCCn2ccnc2C=O)c1 ZINC000026474030 179169357 /nfs/dbraw/zinc/16/93/57/179169357.db2.gz YHHXFIPGIZVQKS-UHFFFAOYSA-N 0 0 230.267 2.083 10 0 BEAERN Cc1cccc(N[C@](C)(C(N)=O)C2CC2)c1 ZINC000037943430 179158428 /nfs/dbraw/zinc/15/84/28/179158428.db2.gz ZDPPFGZBEIXFOE-ZDUSSCGKSA-N 0 0 218.300 2.061 10 0 BEAERN Nc1snnc1CSC1CCCC1 ZINC000062831185 347139923 /nfs/dbraw/zinc/13/99/23/347139923.db2.gz WNZQGKFLDLILKM-UHFFFAOYSA-N 0 0 215.347 2.296 10 0 BEAERN Cc1cccc(OCc2nnsc2N)c1 ZINC000050830974 179173837 /nfs/dbraw/zinc/17/38/37/179173837.db2.gz BUQUFPROTQWEMS-UHFFFAOYSA-N 0 0 221.285 2.008 10 0 BEAERN CCOC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N1 ZINC000039001825 347173038 /nfs/dbraw/zinc/17/30/38/347173038.db2.gz RHDAPCGEYBWHSC-OLZOCXBDSA-N 0 0 233.311 2.351 10 0 BEAERN C[C@@]1(C(=O)C2CCSCC2)C[C@H]1F ZINC000401779831 362784598 /nfs/dbraw/zinc/78/45/98/362784598.db2.gz AVJMRLMHAFOIIN-PSASIEDQSA-N 0 0 202.294 2.447 10 0 BEAERN CCCC(=O)OCCC[C@@H]1CCCO1 ZINC000004684000 168568096 /nfs/dbraw/zinc/56/80/96/168568096.db2.gz BAEVROZWRARQSZ-JTQLQIEISA-N 0 0 200.278 2.289 10 0 BEAERN CCc1c(C)cc2nc(C(F)F)nn2c1O ZINC000725243006 537988128 /nfs/dbraw/zinc/98/81/28/537988128.db2.gz FMIORNIAVNGSSQ-UHFFFAOYSA-N 0 0 227.214 2.243 10 0 BEAERN CCC[C@H]1CC=C([C@@H](O)C(=O)OCC)CC1 ZINC000675055172 537988319 /nfs/dbraw/zinc/98/83/19/537988319.db2.gz YWFYBPXNLFQGNA-CMPLNLGQSA-N 0 0 226.316 2.437 10 0 BEAERN CC(C)(c1nn[nH]n1)c1ccc(Cl)cc1F ZINC000408494313 136731003 /nfs/dbraw/zinc/73/10/03/136731003.db2.gz DJWMXYPNOQOUSV-UHFFFAOYSA-N 0 0 240.669 2.318 10 0 BEAERN O=C(NCc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250644834 362814477 /nfs/dbraw/zinc/81/44/77/362814477.db2.gz JDJLWSUWKZJFKQ-CLLJXQQHSA-N 0 0 215.296 2.349 10 0 BEAERN Cc1ccnc(S[C@H]2CCCC[C@@H]2O)n1 ZINC000051331774 347360710 /nfs/dbraw/zinc/36/07/10/347360710.db2.gz RYFAIZJZFQXISJ-UWVGGRQHSA-N 0 0 224.329 2.181 10 0 BEAERN CN(C)Nc1nc(Cl)nc2ccccc21 ZINC000149624636 347381646 /nfs/dbraw/zinc/38/16/46/347381646.db2.gz FRUSCNNGFOKHAT-UHFFFAOYSA-N 0 0 222.679 2.172 10 0 BEAERN O=C([O-])[C@H]1C[C@@H](CCCc2ccccc2)C[NH2+]1 ZINC000199482253 347434838 /nfs/dbraw/zinc/43/48/38/347434838.db2.gz AVAZFOPXMYXDNT-CHWSQXEVSA-N 0 0 233.311 2.072 10 0 BEAERN CO[C@H](C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000055200753 347436734 /nfs/dbraw/zinc/43/67/34/347436734.db2.gz WMROAKBCKLFAQN-HTQZYQBOSA-N 0 0 243.253 2.177 10 0 BEAERN CO[C@@H](C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000055200760 347436749 /nfs/dbraw/zinc/43/67/49/347436749.db2.gz WMROAKBCKLFAQN-SFYZADRCSA-N 0 0 243.253 2.177 10 0 BEAERN Cc1ccccc1-c1nc(C2CC2)n(N)c1N ZINC000052839102 179237968 /nfs/dbraw/zinc/23/79/68/179237968.db2.gz LJGUGCXIIQBOMQ-UHFFFAOYSA-N 0 0 228.299 2.032 10 0 BEAERN COc1ccc2c(c1)CC[C@@H](C(N)=S)C2 ZINC000616568501 347447686 /nfs/dbraw/zinc/44/76/86/347447686.db2.gz JHNUOSZIKJXVCQ-SNVBAGLBSA-N 0 0 221.325 2.086 10 0 BEAERN Cc1cccc2nc(C(F)(F)F)nn21 ZINC000082749337 179229573 /nfs/dbraw/zinc/22/95/73/179229573.db2.gz HKNIGYVHTJSMCO-UHFFFAOYSA-N 0 0 201.151 2.057 10 0 BEAERN Cc1ccccc1-n1c(C)cc(O)cc1=O ZINC000095081349 179241310 /nfs/dbraw/zinc/24/13/10/179241310.db2.gz PSAIIGIWZTWERF-UHFFFAOYSA-N 0 0 215.252 2.160 10 0 BEAERN Cc1ccccc1C(=O)N(CCCO)C(C)C ZINC000038098429 179245356 /nfs/dbraw/zinc/24/53/56/179245356.db2.gz NLRBAHWQVHWAAL-UHFFFAOYSA-N 0 0 235.327 2.228 10 0 BEAERN Cc1ccccc1C(=O)NC[C@H](O)C(C)(C)C ZINC000120444703 179249763 /nfs/dbraw/zinc/24/97/63/179249763.db2.gz KGBLXMUUMHBFNP-LBPRGKRZSA-N 0 0 235.327 2.132 10 0 BEAERN Nc1c(F)cccc1C(=O)Nc1ccncc1 ZINC000054206803 1172093216 /nfs/dbraw/zinc/09/32/16/1172093216.db2.gz VDAZVCSKXZTMEQ-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN Cc1cc2nc(C(F)(F)F)nn2c(O)c1C ZINC000725243257 537990957 /nfs/dbraw/zinc/99/09/57/537990957.db2.gz SSUBXQFFHPMXEM-UHFFFAOYSA-N 0 0 231.177 2.071 10 0 BEAERN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051989458 179251358 /nfs/dbraw/zinc/25/13/58/179251358.db2.gz RSJCLAKWHRGYST-OLZOCXBDSA-N 0 0 233.311 2.028 10 0 BEAERN Cc1ccccc1CC(=O)N1[C@H](C)COC[C@H]1C ZINC000076365822 179257788 /nfs/dbraw/zinc/25/77/88/179257788.db2.gz TZBWZFLGKBJHIZ-CHWSQXEVSA-N 0 0 247.338 2.173 10 0 BEAERN Cc1ccccc1CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000123692799 179265575 /nfs/dbraw/zinc/26/55/75/179265575.db2.gz DTUFOYKITWQZOR-JSGCOSHPSA-N 0 0 247.338 2.221 10 0 BEAERN Cc1ccccc1CCNC(=O)N[C@H]1C[C@@H]1C ZINC000075959076 179265582 /nfs/dbraw/zinc/26/55/82/179265582.db2.gz VWZNFFIUMQDHBO-AAEUAGOBSA-N 0 0 232.327 2.245 10 0 BEAERN Cc1nn(C)c2nc3c(cc12)C(=O)CC(C)(C)C3 ZINC000003335056 347570362 /nfs/dbraw/zinc/57/03/62/347570362.db2.gz ZBECKHNZOBFQFA-UHFFFAOYSA-N 0 0 243.310 2.432 10 0 BEAERN CCCC[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000302469938 347572189 /nfs/dbraw/zinc/57/21/89/347572189.db2.gz XHSQUKXMUPCWJD-YNEHKIRRSA-N 0 0 241.375 2.480 10 0 BEAERN COc1c(N)cc(C(F)(F)F)cc1F ZINC000149942610 347573836 /nfs/dbraw/zinc/57/38/36/347573836.db2.gz UYDNAHLYOAVJMR-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CCOc1ccc([C@@H](O)CC[C@H]2CO2)cc1 ZINC000616569207 347592106 /nfs/dbraw/zinc/59/21/06/347592106.db2.gz GPEWXSLUOZFYKL-STQMWFEESA-N 0 0 222.284 2.298 10 0 BEAERN Cc1cccc(NC(=O)c2cccc(F)c2N)n1 ZINC000054205321 1172094517 /nfs/dbraw/zinc/09/45/17/1172094517.db2.gz GNYBVJZZKWZGII-UHFFFAOYSA-N 0 0 245.257 2.364 10 0 BEAERN Cc1cc(NN)c2c(CC(C)C)noc2n1 ZINC000669384665 537991862 /nfs/dbraw/zinc/99/18/62/537991862.db2.gz ZPFHNAAFGNAYJS-UHFFFAOYSA-N 0 0 220.276 2.015 10 0 BEAERN Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000123704443 179279566 /nfs/dbraw/zinc/27/95/66/179279566.db2.gz LLFSRCFEURINEI-AAEUAGOBSA-N 0 0 233.311 2.179 10 0 BEAERN Cc1ccccc1CNC(=O)N[C@H]1C[C@H]1C ZINC000075982294 179279604 /nfs/dbraw/zinc/27/96/04/179279604.db2.gz GWYMDNBTKJBFGA-PWSUYJOCSA-N 0 0 218.300 2.203 10 0 BEAERN Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000123704856 179280146 /nfs/dbraw/zinc/28/01/46/179280146.db2.gz LLFSRCFEURINEI-YPMHNXCESA-N 0 0 233.311 2.179 10 0 BEAERN Cc1ccccc1C[C@@H]1COCCC1=O ZINC000075129214 179289844 /nfs/dbraw/zinc/28/98/44/179289844.db2.gz FLQHMXQFVUIUOU-GFCCVEGCSA-N 0 0 204.269 2.143 10 0 BEAERN Cc1ccccc1NC(=O)c1cc(N)ccn1 ZINC000050700132 179303751 /nfs/dbraw/zinc/30/37/51/179303751.db2.gz SPHDCXMACCGNKM-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Cc1ccccc1NCCn1ccccc1=O ZINC000053500471 179304384 /nfs/dbraw/zinc/30/43/84/179304384.db2.gz NZJYWAXWJVJQSC-UHFFFAOYSA-N 0 0 228.295 2.269 10 0 BEAERN Cc1ccccc1NC(=O)Cc1csc(N)n1 ZINC000005571325 179299871 /nfs/dbraw/zinc/29/98/71/179299871.db2.gz QQZDNOXFVKXEJD-UHFFFAOYSA-N 0 0 247.323 2.215 10 0 BEAERN Cc1ccccc1OCCCn1ccc(N)n1 ZINC000067800436 179311204 /nfs/dbraw/zinc/31/12/04/179311204.db2.gz IQTRDPMCUPMQSF-UHFFFAOYSA-N 0 0 231.299 2.243 10 0 BEAERN Cc1ccccc1Nc1ncnc(N(C)C)c1N ZINC000040723495 179308607 /nfs/dbraw/zinc/30/86/07/179308607.db2.gz ZJHZJYGADMOLQZ-UHFFFAOYSA-N 0 0 243.314 2.177 10 0 BEAERN CCOC(=O)C1(C2=NC(C)(C)C[C@@H](C)O2)CC1 ZINC000196311943 347867877 /nfs/dbraw/zinc/86/78/77/347867877.db2.gz SIERTOJMFJCEMB-SECBINFHSA-N 0 0 239.315 2.316 10 0 BEAERN Cc1ccccc1OCCNC(=O)N[C@H]1C[C@@H]1C ZINC000075978819 179311071 /nfs/dbraw/zinc/31/10/71/179311071.db2.gz POWPVNRJJNQEKQ-RYUDHWBXSA-N 0 0 248.326 2.081 10 0 BEAERN CC(=O)CC(=O)Oc1ccc(Cl)cc1 ZINC000196395636 347875343 /nfs/dbraw/zinc/87/53/43/347875343.db2.gz AORZHWTVQQFEEI-UHFFFAOYSA-N 0 0 212.632 2.225 10 0 BEAERN c1cc(CN[C@H]2CCOc3ccccc32)no1 ZINC000148734416 537992953 /nfs/dbraw/zinc/99/29/53/537992953.db2.gz KGOXLTJJYQKGRU-LBPRGKRZSA-N 0 0 230.267 2.288 10 0 BEAERN CCNc1ccc2c(c1)oc(=O)n2CC1CC1 ZINC000725243772 537994356 /nfs/dbraw/zinc/99/43/56/537994356.db2.gz HHPJCBQNMLYKMZ-UHFFFAOYSA-N 0 0 232.283 2.436 10 0 BEAERN Cc1ccccc1Oc1ccc(N)nn1 ZINC000075601889 179314618 /nfs/dbraw/zinc/31/46/18/179314618.db2.gz MRYXMICWGJCHFP-UHFFFAOYSA-N 0 0 201.229 2.160 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1cccc(O)c1 ZINC000020304725 259399230 /nfs/dbraw/zinc/39/92/30/259399230.db2.gz RYISTAMHHMQIIT-VIFPVBQESA-N 0 0 207.273 2.167 10 0 BEAERN COc1ccc(S[C@H]2COC(=O)C2)cc1 ZINC000196495842 347910457 /nfs/dbraw/zinc/91/04/57/347910457.db2.gz DYUIJGMVPBDGHQ-SNVBAGLBSA-N 0 0 224.281 2.103 10 0 BEAERN COc1ccc(S[C@@H]2COC(=O)C2)cc1 ZINC000196495855 347910525 /nfs/dbraw/zinc/91/05/25/347910525.db2.gz DYUIJGMVPBDGHQ-JTQLQIEISA-N 0 0 224.281 2.103 10 0 BEAERN CCc1cc(C(=O)OC)cc2c1NCCC2 ZINC000616570211 347912087 /nfs/dbraw/zinc/91/20/87/347912087.db2.gz DPKGPEDLRFZCCV-UHFFFAOYSA-N 0 0 219.284 2.394 10 0 BEAERN Cc1ccccc1[C@@H](N)c1nccs1 ZINC000019930095 179324169 /nfs/dbraw/zinc/32/41/69/179324169.db2.gz BKGLWXIROQAGGO-SNVBAGLBSA-N 0 0 204.298 2.500 10 0 BEAERN CC(C)NS(=O)(=O)C[C@@H]1C[C@H]2CCCC[C@@H]12 ZINC000669381405 537995044 /nfs/dbraw/zinc/99/50/44/537995044.db2.gz IVYMWDUVSHLCEA-GRYCIOLGSA-N 0 0 245.388 2.141 10 0 BEAERN CCOc1ccc2c(c1)C(=O)CCCO2 ZINC000036928546 347964760 /nfs/dbraw/zinc/96/47/60/347964760.db2.gz JVIZTKCCXSKFJO-UHFFFAOYSA-N 0 0 206.241 2.441 10 0 BEAERN CCc1nn(C(C)(C)C)c(Cl)c1CO ZINC000036930223 347966045 /nfs/dbraw/zinc/96/60/45/347966045.db2.gz BBBUGFDRYUQKEV-UHFFFAOYSA-N 0 0 216.712 2.346 10 0 BEAERN Nc1cnc(-c2ccc(Br)o2)nc1 ZINC000036895544 347968662 /nfs/dbraw/zinc/96/86/62/347968662.db2.gz YVGAHGWKBAGSTR-UHFFFAOYSA-N 0 0 240.060 2.081 10 0 BEAERN CC(C)c1cccn2c(=O)cc(Cl)nc12 ZINC000725244205 537995603 /nfs/dbraw/zinc/99/56/03/537995603.db2.gz FTECBBLYLRQEIG-UHFFFAOYSA-N 0 0 222.675 2.471 10 0 BEAERN Fc1c(Br)cccc1-c1nnc[nH]1 ZINC000725244046 537996423 /nfs/dbraw/zinc/99/64/23/537996423.db2.gz GZIKYPTZJLVFFJ-UHFFFAOYSA-N 0 0 242.051 2.373 10 0 BEAERN Cc1cccc2c1OCc1ncccc1[C@@H]2O ZINC000196703684 347995729 /nfs/dbraw/zinc/99/57/29/347995729.db2.gz FGCNKQZFCRTECW-ZDUSSCGKSA-N 0 0 227.263 2.364 10 0 BEAERN Clc1ncccc1NCc1cc[nH]n1 ZINC000036982998 348009109 /nfs/dbraw/zinc/00/91/09/348009109.db2.gz YWVCEPROFFBGSB-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN CC1(C)CN(C(=O)OC2CC2)CC(C)(C)O1 ZINC000669381697 537996288 /nfs/dbraw/zinc/99/62/88/537996288.db2.gz SCDPJFGQKHALRL-UHFFFAOYSA-N 0 0 227.304 2.175 10 0 BEAERN CN(c1ccc(Cl)nn1)[C@H]1CCSC1 ZINC000037175650 348031267 /nfs/dbraw/zinc/03/12/67/348031267.db2.gz YAMKUCNFSLRRJZ-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN Cn1cc(-c2c[nH]c3cnc(F)cc23)cn1 ZINC000669381806 537997087 /nfs/dbraw/zinc/99/70/87/537997087.db2.gz WFJUBHUPOORETM-UHFFFAOYSA-N 0 0 216.219 2.103 10 0 BEAERN Cc1cccn2c([C@@H](N)C(F)(F)F)cnc12 ZINC000031919727 179354095 /nfs/dbraw/zinc/35/40/95/179354095.db2.gz GECBSZCRLZYQJZ-MRVPVSSYSA-N 0 0 229.205 2.205 10 0 BEAERN Cc1cccn2c(N)c(-c3ccco3)nc12 ZINC000074541833 179354402 /nfs/dbraw/zinc/35/44/02/179354402.db2.gz HFOWAWVEULROMZ-UHFFFAOYSA-N 0 0 213.240 2.485 10 0 BEAERN Cc1cc(C)c(N2CCOCC2=O)c(Cl)c1 ZINC000725244438 537997928 /nfs/dbraw/zinc/99/79/28/537997928.db2.gz PWQVBDVODHLOHB-UHFFFAOYSA-N 0 0 239.702 2.320 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12C[C@@H]1CCCC[C@@H]12 ZINC000669382157 537998476 /nfs/dbraw/zinc/99/84/76/537998476.db2.gz AOIMETFHBNTZHK-YRRQLQLVSA-N 0 0 224.300 2.287 10 0 BEAERN CC[C@@H]1CCCCC[C@]12O[C@H]2C(=O)OC ZINC000669382175 537998539 /nfs/dbraw/zinc/99/85/39/537998539.db2.gz BELVBADZAGUGDX-SCVCMEIPSA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000616613565 349983324 /nfs/dbraw/zinc/98/33/24/349983324.db2.gz XEVHOIOHXNFIKI-LLVKDONJSA-N 0 0 220.272 2.027 10 0 BEAERN Cc1cccnc1CC(=O)C(F)(F)F ZINC000072232845 179368165 /nfs/dbraw/zinc/36/81/65/179368165.db2.gz SAUHFAROYSYCAZ-UHFFFAOYSA-N 0 0 203.163 2.064 10 0 BEAERN CCn1nccc1-c1ccc(C)c(N)c1 ZINC000069022354 490138936 /nfs/dbraw/zinc/13/89/36/490138936.db2.gz RNOKISBPOZQOAG-UHFFFAOYSA-N 0 0 201.273 2.461 10 0 BEAERN Cc1ccc(N)c(C)c1CNC(=O)C1(C)CC1 ZINC000616571496 348199704 /nfs/dbraw/zinc/19/97/04/348199704.db2.gz GZYJSJSDWGEJRS-UHFFFAOYSA-N 0 0 232.327 2.302 10 0 BEAERN Cc1cccnc1CNCc1ncccc1C ZINC000039111036 179382671 /nfs/dbraw/zinc/38/26/71/179382671.db2.gz UMJWOVACRURCNE-UHFFFAOYSA-N 0 0 227.311 2.383 10 0 BEAERN CC(C)=CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000303080162 187391610 /nfs/dbraw/zinc/39/16/10/187391610.db2.gz IJUDDGRDOHRQLV-OLZOCXBDSA-N 0 0 236.359 2.038 10 0 BEAERN COC/C=C/c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000223401100 348234564 /nfs/dbraw/zinc/23/45/64/348234564.db2.gz HLYHAXAYXYAJOH-NSCUHMNNSA-N 0 0 221.212 2.067 10 0 BEAERN O=C1CCN(c2ccc(F)cc2Cl)C1 ZINC000037240105 348279278 /nfs/dbraw/zinc/27/92/78/348279278.db2.gz LDGPDMDVULGPBL-UHFFFAOYSA-N 0 0 213.639 2.258 10 0 BEAERN COc1cccc([C@@]23C[C@@H]2C(=O)CC3)c1 ZINC000225878849 348287192 /nfs/dbraw/zinc/28/71/92/348287192.db2.gz IUXXPSYQXSEZEC-DGCLKSJQSA-N 0 0 202.253 2.316 10 0 BEAERN Cc1cccnc1N[C@H](C)[C@H]1CCOC1 ZINC000162797051 179394645 /nfs/dbraw/zinc/39/46/45/179394645.db2.gz BURXYRKYFJZURF-MNOVXSKESA-N 0 0 206.289 2.227 10 0 BEAERN COC(=O)[C@H]1O[C@@]12CCCCCC2(C)C ZINC000669382112 538001970 /nfs/dbraw/zinc/00/19/70/538001970.db2.gz AFVPRVSBBKKPQL-SKDRFNHKSA-N 0 0 212.289 2.287 10 0 BEAERN C[C@@H]([N@@H+]1CCCC[C@H]1C(=O)[O-])C1(C)CC1 ZINC000251469813 362879239 /nfs/dbraw/zinc/87/92/39/362879239.db2.gz DMFCBBKQDCFCMK-ZJUUUORDSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1cccnc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000188805607 179392659 /nfs/dbraw/zinc/39/26/59/179392659.db2.gz VOXCGSWEJBSXFZ-WDEREUQCSA-N 0 0 234.299 2.144 10 0 BEAERN Cc1cccnc1N[C@H](C)Cn1ccnc1 ZINC000051041104 179396439 /nfs/dbraw/zinc/39/64/39/179396439.db2.gz QHUJTPDGBNQTEC-LLVKDONJSA-N 0 0 216.288 2.087 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251693185 362899238 /nfs/dbraw/zinc/89/92/38/362899238.db2.gz AXILZYGZFANPNQ-YTWAJWBKSA-N 0 0 213.321 2.216 10 0 BEAERN Cc1cc(C(=O)Cn2cccn2)c(C)s1 ZINC000037340769 348331698 /nfs/dbraw/zinc/33/16/98/348331698.db2.gz NUSRSJMYLGQTBH-UHFFFAOYSA-N 0 0 220.297 2.444 10 0 BEAERN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000251547286 362886348 /nfs/dbraw/zinc/88/63/48/362886348.db2.gz LSZJWULJOOLQFY-KOLCDFICSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000251577376 362888150 /nfs/dbraw/zinc/88/81/50/362888150.db2.gz WQTTYSGVNXBPEG-ZJUUUORDSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000251597000 362889444 /nfs/dbraw/zinc/88/94/44/362889444.db2.gz BNPMEYZZGUHRAV-MXWKQRLJSA-N 0 0 211.305 2.114 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)C1=CCC(C)(C)CC1 ZINC000334729483 133741988 /nfs/dbraw/zinc/74/19/88/133741988.db2.gz IGIGRVARZCJOTB-CMPLNLGQSA-N 0 0 237.343 2.417 10 0 BEAERN Cc1cccnc1N[C@H](C)[C@@H]1CCOC1 ZINC000162796801 179396237 /nfs/dbraw/zinc/39/62/37/179396237.db2.gz BURXYRKYFJZURF-GHMZBOCLSA-N 0 0 206.289 2.227 10 0 BEAERN C[C@@H]1CCC[C@](CC(=O)[O-])([NH+](C)C)[C@H]1C ZINC000251769736 362910269 /nfs/dbraw/zinc/91/02/69/362910269.db2.gz KPNQRIFFOQYFBC-JFGNBEQYSA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)=C(F)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000128883998 187395410 /nfs/dbraw/zinc/39/54/10/187395410.db2.gz UUMVNVKZVSMJCE-IEBDPFPHSA-N 0 0 241.306 2.180 10 0 BEAERN Cc1ccn(CCNc2ccc(F)cc2)c(=O)c1 ZINC000061909822 179409888 /nfs/dbraw/zinc/40/98/88/179409888.db2.gz CPQDCNPEBVUSOP-UHFFFAOYSA-N 0 0 246.285 2.408 10 0 BEAERN Cc1c(CO)nnn1-c1ccc(C(C)C)cc1 ZINC000045892295 187395801 /nfs/dbraw/zinc/39/58/01/187395801.db2.gz NLYSCPGQIZFHNR-UHFFFAOYSA-N 0 0 231.299 2.191 10 0 BEAERN O=c1cnc(-c2cc(Cl)ccc2F)c[nH]1 ZINC000669382660 538002842 /nfs/dbraw/zinc/00/28/42/538002842.db2.gz KGHAMNAUOMYPFC-UHFFFAOYSA-N 0 0 224.622 2.229 10 0 BEAERN CC(=O)N=c1scc(C)n1Cc1ccccc1 ZINC000255961921 187396716 /nfs/dbraw/zinc/39/67/16/187396716.db2.gz AFBDTKLKHPWSFN-UHFFFAOYSA-N 0 0 246.335 2.354 10 0 BEAERN Fc1ccc(OC(F)F)c(C[C@H]2CO2)c1 ZINC000669382644 538002976 /nfs/dbraw/zinc/00/29/76/538002976.db2.gz IDGBVQZILLIFAG-QMMMGPOBSA-N 0 0 218.174 2.368 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCCCC[C@@H]2C ZINC000669382721 538004860 /nfs/dbraw/zinc/00/48/60/538004860.db2.gz KGPJJXYECQROEE-JBLDHEPKSA-N 0 0 212.289 2.287 10 0 BEAERN CC1=C[C@H](C)C[C@H](C[C@@H](C[NH3+])C(=O)[O-])C1 ZINC000725246130 538005135 /nfs/dbraw/zinc/00/51/35/538005135.db2.gz KKFBXUGLHYXRPI-LSJOCFKGSA-N 0 0 211.305 2.028 10 0 BEAERN Cc1cncc(C(=O)C[C@H]2CCCO2)c1 ZINC000227947874 348467324 /nfs/dbraw/zinc/46/73/24/348467324.db2.gz JBZCCSGKLFSSKA-LLVKDONJSA-N 0 0 205.257 2.142 10 0 BEAERN Cc1ccc(Cl)c(N2CCOCC2=O)c1 ZINC000725246334 538006324 /nfs/dbraw/zinc/00/63/24/538006324.db2.gz VGDMSOADAIRLAL-UHFFFAOYSA-N 0 0 225.675 2.012 10 0 BEAERN COC(=O)[C@@H]1O[C@]12CC[C@@H]1CCCC[C@@H]1C2 ZINC000669383142 538008688 /nfs/dbraw/zinc/00/86/88/538008688.db2.gz GJIIGZWGUORWDA-NOHGZBONSA-N 0 0 224.300 2.287 10 0 BEAERN Cc1cn2c(CO)c(C(F)(F)F)nc2s1 ZINC000095929653 179561431 /nfs/dbraw/zinc/56/14/31/179561431.db2.gz BXEOCTUDHVVDMQ-UHFFFAOYSA-N 0 0 236.218 2.215 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@H]1CCC[C@H]12 ZINC000669383510 538008245 /nfs/dbraw/zinc/00/82/45/538008245.db2.gz SCOSWENFTXTDCC-WFFHOREQSA-N 0 0 224.300 2.287 10 0 BEAERN Cc1cnc(C(=O)NC2CCC(C)(C)CC2)cn1 ZINC000128260449 179574329 /nfs/dbraw/zinc/57/43/29/179574329.db2.gz PBGSFSWMQPYRCP-UHFFFAOYSA-N 0 0 247.342 2.484 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@H]1CCC[C@@H]12 ZINC000669383509 538009165 /nfs/dbraw/zinc/00/91/65/538009165.db2.gz SCOSWENFTXTDCC-DNIRFERGSA-N 0 0 224.300 2.287 10 0 BEAERN O[C@H]1CCCC[C@H]1Sc1ccccn1 ZINC000037491043 348623076 /nfs/dbraw/zinc/62/30/76/348623076.db2.gz DRFVRSLJSUBFJC-VHSXEESVSA-N 0 0 209.314 2.477 10 0 BEAERN O[C@H](CCn1ccnc1)c1cccs1 ZINC000198393062 348717967 /nfs/dbraw/zinc/71/79/67/348717967.db2.gz XRGRORDAQZAPFK-SECBINFHSA-N 0 0 208.286 2.068 10 0 BEAERN CC[C@@H](C)n1cc(N)c(=O)c(Br)c1 ZINC000725247441 538010593 /nfs/dbraw/zinc/01/05/93/538010593.db2.gz YSQKYZIKUOQOGA-ZCFIWIBFSA-N 0 0 245.120 2.164 10 0 BEAERN CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000218219677 538010615 /nfs/dbraw/zinc/01/06/15/538010615.db2.gz HREZTDIFTLSAQP-WCBMZHEXSA-N 0 0 227.304 2.078 10 0 BEAERN Cc1cnc(Cl)nc1NCc1ccccn1 ZINC000082501427 179618319 /nfs/dbraw/zinc/61/83/19/179618319.db2.gz UKNGTPPVWINYAV-UHFFFAOYSA-N 0 0 234.690 2.446 10 0 BEAERN C[N@@H+](Cc1ccoc1)C[C@@H]1CCCC[C@@H]1O ZINC000053923581 348794176 /nfs/dbraw/zinc/79/41/76/348794176.db2.gz VCWVSBCIJMNOAP-STQMWFEESA-N 0 0 223.316 2.263 10 0 BEAERN COC(=O)[C@]1(CC(C)C)O[C@@]1(C)C(C)C ZINC000669384056 538013345 /nfs/dbraw/zinc/01/33/45/538013345.db2.gz MZGRQABBEGKEJC-RYUDHWBXSA-N 0 0 214.305 2.389 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]1(C)CC1CCC1 ZINC000669384134 538012122 /nfs/dbraw/zinc/01/21/22/538012122.db2.gz OFEKBABIKSHDAI-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)O[C@]1(C)CC1CCCC1 ZINC000669383608 538012495 /nfs/dbraw/zinc/01/24/95/538012495.db2.gz TUGKKDKHVXIVLL-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@]12CCC(C)(C)C2 ZINC000669383872 538012881 /nfs/dbraw/zinc/01/28/81/538012881.db2.gz LUGXDYXTSRCRDA-NWDGAFQWSA-N 0 0 212.289 2.287 10 0 BEAERN CCc1nc2cc(C)cc(Br)n2n1 ZINC000725247950 538015132 /nfs/dbraw/zinc/01/51/32/538015132.db2.gz FHZFUQOZBUSNPK-UHFFFAOYSA-N 0 0 240.104 2.363 10 0 BEAERN CC[C@]1(C(=O)OC)OC12C[C@H]1CC[C@@H](C2)S1 ZINC000669384418 538015455 /nfs/dbraw/zinc/01/54/55/538015455.db2.gz VONBNYMOTSJNRL-WSYXDHJASA-N 0 0 242.340 2.135 10 0 BEAERN CCSC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000598336756 348932343 /nfs/dbraw/zinc/93/23/43/348932343.db2.gz ADEASEJHXJJNBF-JGPRNRPPSA-N 0 0 239.384 2.434 10 0 BEAERN COC(=O)[C@H](CC(=O)C(C)(C)C)C(=O)C(C)C ZINC000725248329 538017007 /nfs/dbraw/zinc/01/70/07/538017007.db2.gz RHIOPKKEHOVYDA-SECBINFHSA-N 0 0 242.315 2.006 10 0 BEAERN C=C(C(=O)OC)[C@H](O)c1ccc(Cl)c(F)c1 ZINC000115736386 348923333 /nfs/dbraw/zinc/92/33/33/348923333.db2.gz VKPBCQCNHDJJNI-JTQLQIEISA-N 0 0 244.649 2.242 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2O)C1 ZINC000110915128 348928010 /nfs/dbraw/zinc/92/80/10/348928010.db2.gz NFMDPIFBYYEDDH-MFKMUULPSA-N 0 0 241.331 2.158 10 0 BEAERN CC[C@H](C)C(=O)C[C@@H](C(=O)OC)C(=O)C(C)C ZINC000725248499 538016872 /nfs/dbraw/zinc/01/68/72/538016872.db2.gz WKRKGBLPRGJBRU-VHSXEESVSA-N 0 0 242.315 2.006 10 0 BEAERN CCOC(CC(=O)[C@H]1C[C@@H]1C)OCC ZINC000321397480 538019257 /nfs/dbraw/zinc/01/92/57/538019257.db2.gz FAGOQCBPRFJTLZ-IUCAKERBSA-N 0 0 200.278 2.001 10 0 BEAERN CC[C@@H](C)[C@@H](C)n1nc(N)nc1Br ZINC000725249248 538019744 /nfs/dbraw/zinc/01/97/44/538019744.db2.gz LHHFIONJZPWFTR-PHDIDXHHSA-N 0 0 247.140 2.230 10 0 BEAERN Cc1cc(-c2ccc(C=O)nc2)sn1 ZINC000669385058 538020170 /nfs/dbraw/zinc/02/01/70/538020170.db2.gz VSIWVIJKIZKFNK-UHFFFAOYSA-N 0 0 204.254 2.326 10 0 BEAERN Cc1n[nH]c(C)c1C(=O)N(C)Cc1ccsc1 ZINC000036163509 187422358 /nfs/dbraw/zinc/42/23/58/187422358.db2.gz SKSMSFFCAQFDSP-UHFFFAOYSA-N 0 0 249.339 2.360 10 0 BEAERN CC(=O)N(C)Cc1ccccc1NC(C)C ZINC000036991290 187422557 /nfs/dbraw/zinc/42/25/57/187422557.db2.gz IWURVOLHQVBKAQ-UHFFFAOYSA-N 0 0 220.316 2.485 10 0 BEAERN CC(C)N(C)C(=O)c1ccc2c(c1)CCN2 ZINC000036895726 187422904 /nfs/dbraw/zinc/42/29/04/187422904.db2.gz SWAVDOVNQKGNQG-UHFFFAOYSA-N 0 0 218.300 2.135 10 0 BEAERN CCOC(=O)COc1cc(C)c(C)cc1C=O ZINC000198907463 349022891 /nfs/dbraw/zinc/02/28/91/349022891.db2.gz OMPRQNVBIVUARV-UHFFFAOYSA-N 0 0 236.267 2.058 10 0 BEAERN CCC[C@H](C)C(=O)Nc1cnc(N)c(OC)c1 ZINC000616574133 349076548 /nfs/dbraw/zinc/07/65/48/349076548.db2.gz XIIDMSUZHORYIG-QMMMGPOBSA-N 0 0 237.303 2.047 10 0 BEAERN CC(C)Cn1c(=O)cc(O)cc1C(F)(F)F ZINC000616575644 349092784 /nfs/dbraw/zinc/09/27/84/349092784.db2.gz FSNVONVNOBJTMA-UHFFFAOYSA-N 0 0 235.205 2.229 10 0 BEAERN CCOc1c(OC(F)(F)F)cccc1C(N)=O ZINC000616576852 349097342 /nfs/dbraw/zinc/09/73/42/349097342.db2.gz RWFSWKFWIBXEKV-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CC(C)c1nc2c(N)cccc2c(=O)[nH]1 ZINC000616576810 349103520 /nfs/dbraw/zinc/10/35/20/349103520.db2.gz OWBDFDPIMHINSJ-UHFFFAOYSA-N 0 0 203.245 2.041 10 0 BEAERN CC(C)n1c(=O)cc(O)cc1C(F)(F)F ZINC000616577554 349115037 /nfs/dbraw/zinc/11/50/37/349115037.db2.gz ZXYCQOYZWQWHLS-UHFFFAOYSA-N 0 0 221.178 2.154 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)c(C=O)c1 ZINC000616577196 349119986 /nfs/dbraw/zinc/11/99/86/349119986.db2.gz XKPQXRLKIXQTLT-UHFFFAOYSA-N 0 0 248.156 2.184 10 0 BEAERN C[C@@]1(C(=O)[O-])CC[N@@H+](C2CCCCC2)C1 ZINC000062936061 349125267 /nfs/dbraw/zinc/12/52/67/349125267.db2.gz UGWUYXJYZCXHSE-GFCCVEGCSA-N 0 0 211.305 2.116 10 0 BEAERN CCOC(=O)[C@@H](CC(C)C)C(=O)C1CC1 ZINC000308815512 538033043 /nfs/dbraw/zinc/03/30/43/538033043.db2.gz VCJGZKZMXGXRAA-JTQLQIEISA-N 0 0 212.289 2.191 10 0 BEAERN CC(=O)OC1(OC(C)=O)C=C[C@H]2C[C@@H]1C2(C)C ZINC000059994492 349261193 /nfs/dbraw/zinc/26/11/93/349261193.db2.gz TUJQDYIBTVJMMM-WDEREUQCSA-N 0 0 238.283 2.041 10 0 BEAERN Cc1[nH]nc2cc(C(F)(F)F)ncc12 ZINC000089220327 179841000 /nfs/dbraw/zinc/84/10/00/179841000.db2.gz GKGONVYGANSEJZ-UHFFFAOYSA-N 0 0 201.151 2.285 10 0 BEAERN CCOC(=O)[C@H](C)c1ccc(N)c(F)c1 ZINC000060165561 349273798 /nfs/dbraw/zinc/27/37/98/349273798.db2.gz UXHLBQPDUXOYBB-SSDOTTSWSA-N 0 0 211.236 2.075 10 0 BEAERN CCOC(=O)[C@@H](C)c1ccc(N)c(F)c1 ZINC000060165559 349273919 /nfs/dbraw/zinc/27/39/19/349273919.db2.gz UXHLBQPDUXOYBB-ZETCQYMHSA-N 0 0 211.236 2.075 10 0 BEAERN CCC(=O)c1cnn(-c2csc(C)n2)c1 ZINC000725253351 538037273 /nfs/dbraw/zinc/03/72/73/538037273.db2.gz ISKQMCVDUBQGHZ-UHFFFAOYSA-N 0 0 221.285 2.230 10 0 BEAERN CN1c2ccccc2NC[C@H]1c1cncnc1 ZINC000616584276 349330819 /nfs/dbraw/zinc/33/08/19/349330819.db2.gz KKBPSEZRSZCFQY-ZDUSSCGKSA-N 0 0 226.283 2.080 10 0 BEAERN Cc1nc(C)n([C@@H](C)c2ccc(N)cc2)n1 ZINC000041062660 179923146 /nfs/dbraw/zinc/92/31/46/179923146.db2.gz JCZRGKUTNUJEPW-QMMMGPOBSA-N 0 0 216.288 2.086 10 0 BEAERN CC[C@@H](C)c1c(N)n(C(C)C)nc1C(=O)OC ZINC000725254382 538046449 /nfs/dbraw/zinc/04/64/49/538046449.db2.gz LUSSOHJHKSAMOU-MRVPVSSYSA-N 0 0 239.319 2.346 10 0 BEAERN O=C([O-])[C@@H]1CC[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C1 ZINC000725254244 538043774 /nfs/dbraw/zinc/04/37/74/538043774.db2.gz YPYWCWPJUGJLMB-MGPQQGTHSA-N 0 0 245.322 2.339 10 0 BEAERN CC(C)(C)[C@@H]1C[C@@H]2CC[C@H](C(=O)[O-])C[N@@H+]2C1 ZINC000725254205 538043929 /nfs/dbraw/zinc/04/39/29/538043929.db2.gz UOCYFYVGKKMASA-AXFHLTTASA-N 0 0 225.332 2.218 10 0 BEAERN O=C([O-])[C@@H]1CC[C@H]2C[C@@H](c3ccccc3)C[N@@H+]2C1 ZINC000725254189 538043944 /nfs/dbraw/zinc/04/39/44/538043944.db2.gz RRBDDUVDLUPNRY-MCIONIFRSA-N 0 0 245.322 2.339 10 0 BEAERN O=C([O-])[C@@H]1CC[C@@H]2C[C@@H](c3ccccc3)C[N@@H+]2C1 ZINC000725254190 538043991 /nfs/dbraw/zinc/04/39/91/538043991.db2.gz RRBDDUVDLUPNRY-MGPQQGTHSA-N 0 0 245.322 2.339 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC1(C)C ZINC000131411649 191012480 /nfs/dbraw/zinc/01/24/80/191012480.db2.gz KOLJKZHPCFCAIF-HBNTYKKESA-N 0 0 240.347 2.042 10 0 BEAERN Clc1nc([C@H]2CCOC2)nc2c1CCC2 ZINC000051691316 350049871 /nfs/dbraw/zinc/04/98/71/350049871.db2.gz SYJZAWGDFZXCLR-ZETCQYMHSA-N 0 0 224.691 2.123 10 0 BEAERN CCOC(=O)C(C)(C)[C@@]1(O)CC[C@@H](C)C1 ZINC000070766935 350058680 /nfs/dbraw/zinc/05/86/80/350058680.db2.gz OTCVEBBINGITSH-BXKDBHETSA-N 0 0 214.305 2.127 10 0 BEAERN C[C@@H]1Cc2c(c(Cl)cc(F)c2N)O1 ZINC000218697419 350100898 /nfs/dbraw/zinc/10/08/98/350100898.db2.gz IZSMEJHXQVDCAQ-SCSAIBSYSA-N 0 0 201.628 2.385 10 0 BEAERN Cc1nc(N)sc1SCCn1cccn1 ZINC000049314729 180000459 /nfs/dbraw/zinc/00/04/59/180000459.db2.gz UWGNAYBEIGUBJC-UHFFFAOYSA-N 0 0 240.357 2.023 10 0 BEAERN Cc1nc2cc(C=O)sc2c(Cl)n1 ZINC000082372192 179987387 /nfs/dbraw/zinc/98/73/87/179987387.db2.gz CXNRXGNAVRCXEI-UHFFFAOYSA-N 0 0 212.661 2.466 10 0 BEAERN Cc1nc2c(c(=O)[nH]1)-c1cccc(Cl)c1CC2 ZINC000013832469 180067586 /nfs/dbraw/zinc/06/75/86/180067586.db2.gz SGWNSOQGMXHSSE-UHFFFAOYSA-N 0 0 246.697 2.497 10 0 BEAERN Cc1c[nH]nc1CN[C@@H](C)c1csc(C)n1 ZINC000309781798 180051389 /nfs/dbraw/zinc/05/13/89/180051389.db2.gz NAVPSTZYHXQCRX-QMMMGPOBSA-N 0 0 236.344 2.334 10 0 BEAERN Cc1nc2c(Br)cc(N)cn2c1C ZINC000036243673 180059407 /nfs/dbraw/zinc/05/94/07/180059407.db2.gz LKMZPBJYSWBNDM-UHFFFAOYSA-N 0 0 240.104 2.296 10 0 BEAERN Cc1nc2[nH]cc(N)c2cc1Br ZINC000016678043 180059882 /nfs/dbraw/zinc/05/98/82/180059882.db2.gz VFSMVLHMZHFKFE-UHFFFAOYSA-N 0 0 226.077 2.216 10 0 BEAERN Cc1nc2c(ncnc2Cl)n1CC1CC1 ZINC000045955369 180064015 /nfs/dbraw/zinc/06/40/15/180064015.db2.gz VGDRQWCVQTXBGX-UHFFFAOYSA-N 0 0 222.679 2.198 10 0 BEAERN Cc1nc2c(Cl)cc(Cl)cn2c1CO ZINC000036244246 180064664 /nfs/dbraw/zinc/06/46/64/180064664.db2.gz VSNGHUCKHLKLBF-UHFFFAOYSA-N 0 0 231.082 2.442 10 0 BEAERN CC[C@H](NCc1cscn1)c1nccn1C ZINC000132139945 191024971 /nfs/dbraw/zinc/02/49/71/191024971.db2.gz GLQQSFJZPYKRSN-JTQLQIEISA-N 0 0 236.344 2.118 10 0 BEAERN CC1(C)CCS(=O)(=O)c2ccc(F)cc21 ZINC000725255731 538053775 /nfs/dbraw/zinc/05/37/75/538053775.db2.gz KIFGQYSKXMHJPT-UHFFFAOYSA-N 0 0 228.288 2.281 10 0 BEAERN C[C@H]1CCC(=O)N[C@H](C(F)(F)F)CC1 ZINC000725255773 538053858 /nfs/dbraw/zinc/05/38/58/538053858.db2.gz AMPSDFQDDAAUSQ-RQJHMYQMSA-N 0 0 209.211 2.244 10 0 BEAERN Cc1nc2cc(Br)ccc2c(=O)o1 ZINC000036376365 180075407 /nfs/dbraw/zinc/07/54/07/180075407.db2.gz JUZIYGNPKMTZAE-UHFFFAOYSA-N 0 0 240.056 2.259 10 0 BEAERN Brc1cc(CC2CC2)ncn1 ZINC000409431637 350134637 /nfs/dbraw/zinc/13/46/37/350134637.db2.gz RPUDPZJNLBKIDG-UHFFFAOYSA-N 0 0 213.078 2.192 10 0 BEAERN Cc1ccc(NC2=N[C@@H](C)CS2)cn1 ZINC000128775414 350135769 /nfs/dbraw/zinc/13/57/69/350135769.db2.gz LZCGGMNRBKDZHY-QMMMGPOBSA-N 0 0 207.302 2.293 10 0 BEAERN Cc1nc2cc(OC[C@@H]3CO3)ccc2s1 ZINC000034027767 180084490 /nfs/dbraw/zinc/08/44/90/180084490.db2.gz YSPRCDGVFRVBED-SECBINFHSA-N 0 0 221.281 2.382 10 0 BEAERN Cc1nc2ccc(-n3cccn3)cc2nc1C ZINC000039124250 180087959 /nfs/dbraw/zinc/08/79/59/180087959.db2.gz JHBQPSUZHFOIMQ-UHFFFAOYSA-N 0 0 224.267 2.432 10 0 BEAERN Cc1nc2c(ccn2C)nc1Br ZINC000082360172 180069591 /nfs/dbraw/zinc/06/95/91/180069591.db2.gz RBFZRUWWTHZHDS-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN Cc1nc2ccccc2nc1N[C@H]1CCC[C@H]1O ZINC000277191297 180106120 /nfs/dbraw/zinc/10/61/20/180106120.db2.gz WQEUYTZQMYVNSZ-QWHCGFSZSA-N 0 0 243.310 2.264 10 0 BEAERN COC(CC(=O)C(C(C)C)C(C)C)OC ZINC000725256969 538062267 /nfs/dbraw/zinc/06/22/67/538062267.db2.gz CGQIPYJUPNOIBC-UHFFFAOYSA-N 0 0 216.321 2.493 10 0 BEAERN CCCc1cc(NC(=O)c2ccncc2F)n[nH]1 ZINC000133292577 191038841 /nfs/dbraw/zinc/03/88/41/191038841.db2.gz GUQOONHGAXTWEI-UHFFFAOYSA-N 0 0 248.261 2.149 10 0 BEAERN CCC1(NC(=O)NC[C@@]2(C)CCCO2)CCC1 ZINC000133289487 191039522 /nfs/dbraw/zinc/03/95/22/191039522.db2.gz AZODFDMNDJYVRV-GFCCVEGCSA-N 0 0 240.347 2.187 10 0 BEAERN CN(c1ccnc(Cl)n1)[C@H]1CCSC1 ZINC000051849469 350161150 /nfs/dbraw/zinc/16/11/50/350161150.db2.gz PNIGVDANDYMIGN-ZETCQYMHSA-N 0 0 229.736 2.072 10 0 BEAERN Cc1nc2nc(C(F)(F)F)cc(Cl)n2n1 ZINC000075885114 180114490 /nfs/dbraw/zinc/11/44/90/180114490.db2.gz ROPLNFTYKXXKQW-UHFFFAOYSA-N 0 0 236.584 2.105 10 0 BEAERN Cc1nc2ccc3c(cnn3C)c2s1 ZINC000045237997 180100025 /nfs/dbraw/zinc/10/00/25/180100025.db2.gz IJFYUZVLIMROOB-UHFFFAOYSA-N 0 0 203.270 2.491 10 0 BEAERN OCc1csc(NCc2ccccc2)n1 ZINC000034447506 350171585 /nfs/dbraw/zinc/17/15/85/350171585.db2.gz BZUQXFFBJYQMMS-UHFFFAOYSA-N 0 0 220.297 2.248 10 0 BEAERN CCCc1cc(C=O)c(-c2ccnn2C)o1 ZINC000725257348 538064049 /nfs/dbraw/zinc/06/40/49/538064049.db2.gz KYMRMZPOEPWQAV-UHFFFAOYSA-N 0 0 218.256 2.445 10 0 BEAERN Cc1ncc(CN(C)C(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000170808123 180137400 /nfs/dbraw/zinc/13/74/00/180137400.db2.gz BJLBBVPUWTZYEG-OIBJUYFYSA-N 0 0 239.344 2.001 10 0 BEAERN Cc1cc2nc(-c3ccnn3C)cc(Cl)n2n1 ZINC000725257645 538065572 /nfs/dbraw/zinc/06/55/72/538065572.db2.gz UMIUPSPXADQDRU-UHFFFAOYSA-N 0 0 247.689 2.092 10 0 BEAERN CCN1CC(=O)N(c2c(C)cccc2C)[C@@H]1C ZINC000033903006 350169579 /nfs/dbraw/zinc/16/95/79/350169579.db2.gz CVIWUPKHXMVJBQ-GFCCVEGCSA-N 0 0 232.327 2.318 10 0 BEAERN COC(=O)C[C@@H](CC(C)=O)c1ccccc1 ZINC000034409113 350169824 /nfs/dbraw/zinc/16/98/24/350169824.db2.gz GLXFIFCVMRMRNN-GFCCVEGCSA-N 0 0 220.268 2.312 10 0 BEAERN CCCC[C@H]1COC[C@H](C)[C@H]1OC(C)=O ZINC000100208581 191062296 /nfs/dbraw/zinc/06/22/96/191062296.db2.gz XWNKVSFNBVIKJB-ZMLRMANQSA-N 0 0 214.305 2.391 10 0 BEAERN CC(C)C[C@H](C)C(=O)N1CCCC[C@@H](CO)C1 ZINC000363787982 191066677 /nfs/dbraw/zinc/06/66/77/191066677.db2.gz KKCPYIYUFHMHPZ-QWHCGFSZSA-N 0 0 241.375 2.290 10 0 BEAERN O=C(c1cccnc1Cl)N1C=CC=CC1 ZINC000221260958 350204014 /nfs/dbraw/zinc/20/40/14/350204014.db2.gz JFGGNOFPXBXBRL-UHFFFAOYSA-N 0 0 220.659 2.261 10 0 BEAERN Cc1ncc2oc(Br)cc2n1 ZINC000082372158 180179422 /nfs/dbraw/zinc/17/94/22/180179422.db2.gz WDEKGYGTQMQGSM-UHFFFAOYSA-N 0 0 213.034 2.294 10 0 BEAERN Cc1nccc(Oc2ccc(F)cc2N)n1 ZINC000054936690 180208400 /nfs/dbraw/zinc/20/84/00/180208400.db2.gz AOYAZIOVFXAGDC-UHFFFAOYSA-N 0 0 219.219 2.299 10 0 BEAERN Cc1ncccc1N[C@@H](C)c1ccnn1C ZINC000192252135 180226499 /nfs/dbraw/zinc/22/64/99/180226499.db2.gz QZJWVSJGGYSDLE-JTQLQIEISA-N 0 0 216.288 2.297 10 0 BEAERN Cc1nccn1CCCOc1ccccc1N ZINC000036671522 180247435 /nfs/dbraw/zinc/24/74/35/180247435.db2.gz WKSGUCAXGNVZIL-UHFFFAOYSA-N 0 0 231.299 2.243 10 0 BEAERN CC(C)Nc1nc(Cl)nc(-c2ccccn2)n1 ZINC000222774136 350252121 /nfs/dbraw/zinc/25/21/21/350252121.db2.gz ASXQHPWBRZOODK-UHFFFAOYSA-N 0 0 249.705 2.407 10 0 BEAERN CC(C)(C)OC(=O)Cc1ccc2c(c1)COC2=O ZINC000222919075 350255977 /nfs/dbraw/zinc/25/59/77/350255977.db2.gz FHHYCMKEFVLESP-UHFFFAOYSA-N 0 0 248.278 2.241 10 0 BEAERN CCOc1cc2c(cc1F)nc(C)[nH]c2=O ZINC000725261800 538086782 /nfs/dbraw/zinc/08/67/82/538086782.db2.gz INCQTLAZJKSKJW-UHFFFAOYSA-N 0 0 222.219 2.182 10 0 BEAERN Cc1nccn2ccc(Br)c12 ZINC000082373779 180272031 /nfs/dbraw/zinc/27/20/31/180272031.db2.gz WTSDTROVCDKVAK-UHFFFAOYSA-N 0 0 211.062 2.405 10 0 BEAERN Cc1ncn(C[C@H]([NH3+])c2ccccc2)c1C ZINC000051926527 180287600 /nfs/dbraw/zinc/28/76/00/180287600.db2.gz ZDZUQKVFUIKVQT-ZDUSSCGKSA-N 0 0 215.300 2.200 10 0 BEAERN Clc1ccccc1CNCc1cn[nH]c1 ZINC000038005586 350296241 /nfs/dbraw/zinc/29/62/41/350296241.db2.gz OUFJFLMWNZKHFA-UHFFFAOYSA-N 0 0 221.691 2.353 10 0 BEAERN Cc1ncn(Cc2ccccc2)c1C=O ZINC000075601605 180289503 /nfs/dbraw/zinc/28/95/03/180289503.db2.gz XVNIHJYKFTZPEW-UHFFFAOYSA-N 0 0 200.241 2.052 10 0 BEAERN CN1c2ccc(C(F)(F)F)cc2CC1=O ZINC000038917347 350327043 /nfs/dbraw/zinc/32/70/43/350327043.db2.gz SRKDPYINSFEZSC-UHFFFAOYSA-N 0 0 215.174 2.224 10 0 BEAERN C[C@H](CO)Nc1ccc(Br)cc1 ZINC000038118092 350307228 /nfs/dbraw/zinc/30/72/28/350307228.db2.gz QPEKLNCKBRESKU-SSDOTTSWSA-N 0 0 230.105 2.242 10 0 BEAERN Cc1ccccc1CC(=O)[C@H]1CCCO1 ZINC000038126905 350307775 /nfs/dbraw/zinc/30/77/75/350307775.db2.gz XYBDMEYGUVQSGF-CYBMUJFWSA-N 0 0 204.269 2.286 10 0 BEAERN Cc1nc(C[C@H]2CC2(Cl)Cl)no1 ZINC000000159591 350319872 /nfs/dbraw/zinc/31/98/72/350319872.db2.gz LTIVZCZHXZVVSS-YFKPBYRVSA-N 0 0 207.060 2.114 10 0 BEAERN CN(C)c1ccc(-c2noc(Cl)n2)cc1 ZINC000037926885 350292133 /nfs/dbraw/zinc/29/21/33/350292133.db2.gz MRGBIKBYFIPNBR-UHFFFAOYSA-N 0 0 223.663 2.456 10 0 BEAERN Cc1ncn(CC(=O)Cc2ccc(F)cc2)c1C ZINC000051927293 180286329 /nfs/dbraw/zinc/28/63/29/180286329.db2.gz PBGZQEOPDRFCLG-UHFFFAOYSA-N 0 0 246.285 2.451 10 0 BEAERN Cc1nc(-c2cnn(C)c2)nc(Cl)c1C ZINC000037947889 350292778 /nfs/dbraw/zinc/29/27/78/350292778.db2.gz DAKSBZZPPNEOTP-UHFFFAOYSA-N 0 0 222.679 2.147 10 0 BEAERN CC[C@](C)(Nc1ccccc1C)C(N)=O ZINC000037942182 350292948 /nfs/dbraw/zinc/29/29/48/350292948.db2.gz KVZPJQUSDVBPPR-LBPRGKRZSA-N 0 0 206.289 2.061 10 0 BEAERN CNC(=O)N1C[C@H](c2cccs2)C[C@@H]1C ZINC000365525199 350330772 /nfs/dbraw/zinc/33/07/72/350330772.db2.gz PGPZDQNVUIJHET-DTWKUNHWSA-N 0 0 224.329 2.265 10 0 BEAERN CNC(=O)N1C[C@H](c2cccs2)C[C@H]1C ZINC000365525201 350330866 /nfs/dbraw/zinc/33/08/66/350330866.db2.gz PGPZDQNVUIJHET-RKDXNWHRSA-N 0 0 224.329 2.265 10 0 BEAERN Cc1ncsc1[C@H](C)Nc1cnn(C)c1 ZINC000037260111 180326491 /nfs/dbraw/zinc/32/64/91/180326491.db2.gz PQTKUAMPVQVGKF-QMMMGPOBSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1ncsc1[C@H](C)Nc1ccc(=O)n(C)c1 ZINC000037785735 180326839 /nfs/dbraw/zinc/32/68/39/180326839.db2.gz YPQYKIPQJZYKQK-VIFPVBQESA-N 0 0 249.339 2.323 10 0 BEAERN Cc1ncsc1[C@@H](C)Nc1ccn(C)n1 ZINC000037471844 180326967 /nfs/dbraw/zinc/32/69/67/180326967.db2.gz AXMVLZYWYIQJRY-MRVPVSSYSA-N 0 0 222.317 2.358 10 0 BEAERN Cc1nn(C)c(C)c1/C=C\C(=O)OC(C)C ZINC000095936608 180333470 /nfs/dbraw/zinc/33/34/70/180333470.db2.gz KOQQXRTTWPZYLZ-SREVYHEPSA-N 0 0 222.288 2.002 10 0 BEAERN Cc1ncsc1CN1[C@H](C)COC[C@@H]1C ZINC000093607448 180318031 /nfs/dbraw/zinc/31/80/31/180318031.db2.gz OFQRVFFOALBTNK-DTORHVGOSA-N 0 0 226.345 2.061 10 0 BEAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)C ZINC000105848763 180347707 /nfs/dbraw/zinc/34/77/07/180347707.db2.gz XTWOGQOCUZWXLV-LBPRGKRZSA-N 0 0 249.358 2.356 10 0 BEAERN Cc1nn(C)c(Nc2ccc(F)cc2F)c1N ZINC000036749195 180360266 /nfs/dbraw/zinc/36/02/66/180360266.db2.gz FSNMFLATHULSFX-UHFFFAOYSA-N 0 0 238.241 2.333 10 0 BEAERN Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C(C)C ZINC000120471974 180349318 /nfs/dbraw/zinc/34/93/18/180349318.db2.gz UQQLUBOMQIGKJS-ZETCQYMHSA-N 0 0 243.738 2.156 10 0 BEAERN Cc1nn(C)c(N(Cc2ccco2)C2CC2)c1N ZINC000042692967 180352599 /nfs/dbraw/zinc/35/25/99/180352599.db2.gz TVDGITJBTNWUJF-UHFFFAOYSA-N 0 0 246.314 2.073 10 0 BEAERN Cc1nn(C)c(N(C)[C@@H](C)CC(C)C)c1CO ZINC000042586002 180352695 /nfs/dbraw/zinc/35/26/95/180352695.db2.gz WQEVWMFUFMQLRK-JTQLQIEISA-N 0 0 239.363 2.092 10 0 BEAERN Cc1nn(C)c(N(C)[C@H](C)C(C)(C)C)c1CO ZINC000042772312 180353065 /nfs/dbraw/zinc/35/30/65/180353065.db2.gz HFDRYGIVHVHTNK-SNVBAGLBSA-N 0 0 239.363 2.092 10 0 BEAERN Cc1nn(C)c(N(C)[C@H](C)CC(C)C)c1N ZINC000042578130 180353890 /nfs/dbraw/zinc/35/38/90/180353890.db2.gz JAPZBVMISABAHQ-SECBINFHSA-N 0 0 224.352 2.182 10 0 BEAERN CC(=O)Nc1ccccc1[C@@H](C)C(C)=O ZINC000032142614 350411446 /nfs/dbraw/zinc/41/14/46/350411446.db2.gz YXUUYAFPUMQYNS-QMMMGPOBSA-N 0 0 205.257 2.338 10 0 BEAERN COc1cc2[nH]nc(Br)c2c(F)c1 ZINC000014984139 350439746 /nfs/dbraw/zinc/43/97/46/350439746.db2.gz LKJCAMMWGBLFDQ-UHFFFAOYSA-N 0 0 245.051 2.473 10 0 BEAERN Cc1nn(C)c(O[C@@H]2CCCC[C@H]2C)c1N ZINC000036749534 180359784 /nfs/dbraw/zinc/35/97/84/180359784.db2.gz NCIBNCXGXAGONU-PSASIEDQSA-N 0 0 223.320 2.268 10 0 BEAERN Cc1nn(C)c(O[C@@H]2CCCC[C@@H]2C)c1N ZINC000036749532 180359829 /nfs/dbraw/zinc/35/98/29/180359829.db2.gz NCIBNCXGXAGONU-WCBMZHEXSA-N 0 0 223.320 2.268 10 0 BEAERN COc1cccc([C@@H](N)C(F)F)c1F ZINC000226551152 350439017 /nfs/dbraw/zinc/43/90/17/350439017.db2.gz BYTGKLZWRBSGRD-MRVPVSSYSA-N 0 0 205.179 2.099 10 0 BEAERN Cc1nn(C)c(O[C@@H](C)CC(C)C)c1N ZINC000036749543 180360895 /nfs/dbraw/zinc/36/08/95/180360895.db2.gz LOCZUXCTQSTLBA-QMMMGPOBSA-N 0 0 211.309 2.124 10 0 BEAERN Cc1nn(C)c(N[C@@H](C)c2ccccc2)c1N ZINC000036749030 180360035 /nfs/dbraw/zinc/36/00/35/180360035.db2.gz IJOUQDDAAFVACV-VIFPVBQESA-N 0 0 230.315 2.484 10 0 BEAERN Cc1nn(C)c2cc3c(cc12)c(C)nn3C ZINC000026174363 180364208 /nfs/dbraw/zinc/36/42/08/180364208.db2.gz DFHAEVOWWZQRFK-UHFFFAOYSA-N 0 0 214.272 2.077 10 0 BEAERN CC(C)(C)[N@@H+]1CCO[C@H](c2ccnnc2)CC1 ZINC000616592494 350463823 /nfs/dbraw/zinc/46/38/23/350463823.db2.gz FAALZKONHHEJAW-LBPRGKRZSA-N 0 0 235.331 2.039 10 0 BEAERN CC(=O)C1=C(O)CC[C@@H](c2ccncc2)C1 ZINC000034152530 350463948 /nfs/dbraw/zinc/46/39/48/350463948.db2.gz HWHKJOULOUZDEU-NEPJUHHUSA-N 0 0 217.268 2.123 10 0 BEAERN Cn1ncc2cncc(-c3ccc(F)nc3)c21 ZINC000725266050 538093679 /nfs/dbraw/zinc/09/36/79/538093679.db2.gz HWGNUWCHJNOJOU-UHFFFAOYSA-N 0 0 228.230 2.169 10 0 BEAERN CCOC(=O)c1cc(CC(C)C)nn1CC ZINC000014985182 350474225 /nfs/dbraw/zinc/47/42/25/350474225.db2.gz PAOWHLGOIRHNRR-UHFFFAOYSA-N 0 0 224.304 2.278 10 0 BEAERN Cc1nnc(-c2cccc(N)c2)n1C(C)C ZINC000042030953 180396095 /nfs/dbraw/zinc/39/60/95/180396095.db2.gz YJHVUJLPLJOAOO-UHFFFAOYSA-N 0 0 216.288 2.417 10 0 BEAERN Cc1nn([C@H](C)c2ccccn2)c(N)c1Cl ZINC000043667451 180393112 /nfs/dbraw/zinc/39/31/12/180393112.db2.gz YDWKTOZAWRHXBH-MRVPVSSYSA-N 0 0 236.706 2.431 10 0 BEAERN Cc1nn2c(cc(-c3cccs3)cc2=O)[nH]1 ZINC000107109428 180393193 /nfs/dbraw/zinc/39/31/93/180393193.db2.gz ZKUDBEZJBYRXDM-UHFFFAOYSA-N 0 0 231.280 2.060 10 0 BEAERN Cc1nn([C@H]2CCCSC2)c(N)c1Cl ZINC000061589777 180393442 /nfs/dbraw/zinc/39/34/42/180393442.db2.gz MCNXNQAUHVYPPD-ZETCQYMHSA-N 0 0 231.752 2.495 10 0 BEAERN Cc1nnc(-c2ccc(C)c(N)c2)s1 ZINC000082532354 180394823 /nfs/dbraw/zinc/39/48/23/180394823.db2.gz MTWKOQIDUFIXOB-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1[nH]n(CC(C)C)c2nc([C@H]3CCOC3)nc1-2 ZINC000020135162 180386189 /nfs/dbraw/zinc/38/61/89/180386189.db2.gz MKUXTEIKNDJZEZ-JTQLQIEISA-N 0 0 248.330 2.228 10 0 BEAERN Cc1nnc(-c2ccc(N)c(C)c2)s1 ZINC000082532353 180395899 /nfs/dbraw/zinc/39/58/99/180395899.db2.gz VFUQRURIGARLTE-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Cc1nn(C[C@@H](O)C(C)(C)C)c(C)c1C ZINC000044187317 180390221 /nfs/dbraw/zinc/39/02/21/180390221.db2.gz UEKPRJZKLAEKCP-LLVKDONJSA-N 0 0 210.321 2.215 10 0 BEAERN Cc1nn(C[C@H](O)c2cccc(N)c2)c(C)c1C ZINC000051327354 180390411 /nfs/dbraw/zinc/39/04/11/180390411.db2.gz HUCJJSMYTIITMD-AWEZNQCLSA-N 0 0 245.326 2.124 10 0 BEAERN CCc1csc(N[C@@H]2CCCC[C@@H]2O)n1 ZINC000061894733 350532755 /nfs/dbraw/zinc/53/27/55/350532755.db2.gz SGYZYXQRIXVKMN-ZJUUUORDSA-N 0 0 226.345 2.421 10 0 BEAERN CC[C@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000152229331 538095170 /nfs/dbraw/zinc/09/51/70/538095170.db2.gz ZMAWXYVHMBNPNW-MNOVXSKESA-N 0 0 212.337 2.472 10 0 BEAERN CC(C)c1nnc(CN2[C@H](C)CC[C@@H]2C)n1C ZINC000177095128 365970177 /nfs/dbraw/zinc/97/01/77/365970177.db2.gz VNDZRPPBLJFPNL-PHIMTYICSA-N 0 0 236.363 2.311 10 0 BEAERN CCCc1nc2ccc(F)cn2c1C=O ZINC000228027198 350525317 /nfs/dbraw/zinc/52/53/17/350525317.db2.gz KCQXCZYBBCPSTJ-UHFFFAOYSA-N 0 0 206.220 2.238 10 0 BEAERN C[C@@H]1SCCS[C@@H]1c1nsc(N)n1 ZINC000228072094 350526983 /nfs/dbraw/zinc/52/69/83/350526983.db2.gz QWDBAKUXCXMQEK-WHFBIAKZSA-N 0 0 233.387 2.030 10 0 BEAERN C[C@@H]1SCCS[C@H]1c1nsc(N)n1 ZINC000228072113 350527211 /nfs/dbraw/zinc/52/72/11/350527211.db2.gz QWDBAKUXCXMQEK-CRCLSJGQSA-N 0 0 233.387 2.030 10 0 BEAERN C[C@@H](C[NH2+]CC1CCC(C)CC1)C(=O)[O-] ZINC000063145613 350573926 /nfs/dbraw/zinc/57/39/26/350573926.db2.gz UOPRKMITDVPORH-YVNMAJEFSA-N 0 0 213.321 2.123 10 0 BEAERN C[C@@H](CC(=O)[O-])[NH2+]CC1CCC(C)CC1 ZINC000063145608 350574001 /nfs/dbraw/zinc/57/40/01/350574001.db2.gz GTVKWNPYSNDVEB-YVNMAJEFSA-N 0 0 213.321 2.266 10 0 BEAERN CN(CC1CC1)c1nc(Cl)ccc1N ZINC000228441351 350542648 /nfs/dbraw/zinc/54/26/48/350542648.db2.gz PAAUTZBOXSUQJC-UHFFFAOYSA-N 0 0 211.696 2.163 10 0 BEAERN Cn1c2ccccc2nc1C1CC(=O)C1 ZINC000220119673 490614131 /nfs/dbraw/zinc/61/41/31/490614131.db2.gz HKSQQXFZPHUGPX-UHFFFAOYSA-N 0 0 200.241 2.020 10 0 BEAERN CC(C)(C)OC(=O)c1n[nH]nc1[C@@H]1CC12CCC2 ZINC000725266284 538095819 /nfs/dbraw/zinc/09/58/19/538095819.db2.gz DHSNWIVJUVPWEL-QMMMGPOBSA-N 0 0 249.314 2.418 10 0 BEAERN Brc1nsc([C@@H]2CCCOC2)n1 ZINC000230110137 350595517 /nfs/dbraw/zinc/59/55/17/350595517.db2.gz QHMPMXRQABHDEA-RXMQYKEDSA-N 0 0 249.133 2.195 10 0 BEAERN CC(C)(C)N1c2ccccc2CC[C@@H]1C(N)=O ZINC000616594716 350596185 /nfs/dbraw/zinc/59/61/85/350596185.db2.gz PADQTGJQXOXIJI-GFCCVEGCSA-N 0 0 232.327 2.092 10 0 BEAERN CC(C)(C)Cc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266501 538096195 /nfs/dbraw/zinc/09/61/95/538096195.db2.gz FFILJZBUUYGQBN-UHFFFAOYSA-N 0 0 239.319 2.349 10 0 BEAERN COC[C@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000103393038 187459883 /nfs/dbraw/zinc/45/98/83/187459883.db2.gz OVQTXUNXYKYCQM-NSHDSACASA-N 0 0 221.300 2.240 10 0 BEAERN CC(C)c1nc(-c2ccccc2N)no1 ZINC000044732185 187462971 /nfs/dbraw/zinc/46/29/71/187462971.db2.gz XNMBPTPCDIFRPM-UHFFFAOYSA-N 0 0 203.245 2.442 10 0 BEAERN Cc1ccc(C(=O)c2cncnc2)c(C)c1 ZINC000045028861 187462985 /nfs/dbraw/zinc/46/29/85/187462985.db2.gz WBYDMLRZIIASCV-UHFFFAOYSA-N 0 0 212.252 2.324 10 0 BEAERN COc1cccc2c1C[C@H](O)[C@H](C(C)(C)C)N2 ZINC000725267907 538099095 /nfs/dbraw/zinc/09/90/95/538099095.db2.gz BRIGUYNCPUQXOR-WCQYABFASA-N 0 0 235.327 2.439 10 0 BEAERN CC(C)c1ccc([C@H](C)NS(C)(=O)=O)cc1 ZINC000014219902 350675615 /nfs/dbraw/zinc/67/56/15/350675615.db2.gz JMLSPQDFPSQZBB-JTQLQIEISA-N 0 0 241.356 2.420 10 0 BEAERN NNc1cc2ccccc2nc1[C@H]1CCCOC1 ZINC000725267904 538098908 /nfs/dbraw/zinc/09/89/08/538098908.db2.gz BQWPSJJTPPKPIP-NSHDSACASA-N 0 0 243.310 2.414 10 0 BEAERN CC(C)Cc1nsc(N[C@@H]2CCO[C@H]2C)n1 ZINC000302366040 191119896 /nfs/dbraw/zinc/11/98/96/191119896.db2.gz GANRSQDZVOYIIS-DTWKUNHWSA-N 0 0 241.360 2.326 10 0 BEAERN C[C@@H]1C[C@H](C)Nc2c(Br)cnn21 ZINC000235696494 350722444 /nfs/dbraw/zinc/72/24/44/350722444.db2.gz WQMHZJGUENTWJW-NTSWFWBYSA-N 0 0 230.109 2.411 10 0 BEAERN Cc1cc(F)c(N2CCC(=O)C2)cc1F ZINC000235867214 350724845 /nfs/dbraw/zinc/72/48/45/350724845.db2.gz KZENUAYBEOCBFI-UHFFFAOYSA-N 0 0 211.211 2.052 10 0 BEAERN CC[C@H](C)[C@H]1Nc2cccc(OC)c2C[C@@H]1O ZINC000725268119 538099310 /nfs/dbraw/zinc/09/93/10/538099310.db2.gz KORBCDRVELFZGW-DUFXMDAXSA-N 0 0 235.327 2.439 10 0 BEAERN COCCC1(C(=O)OC)CCCCC1 ZINC000144506616 350738049 /nfs/dbraw/zinc/73/80/49/350738049.db2.gz SJONJEKQMRQWLO-UHFFFAOYSA-N 0 0 200.278 2.146 10 0 BEAERN O[C@@H](Cc1csc(Cl)c1)[C@@H]1CCCO1 ZINC000306672485 350815347 /nfs/dbraw/zinc/81/53/47/350815347.db2.gz MCPAHZXPAHVEOL-IUCAKERBSA-N 0 0 232.732 2.484 10 0 BEAERN C[C@H]1SCCC[C@]1(O)Cc1ccco1 ZINC000130487152 362982822 /nfs/dbraw/zinc/98/28/22/362982822.db2.gz OTSABABOMXVKRI-KOLCDFICSA-N 0 0 212.314 2.469 10 0 BEAERN CN1CCOC[C@@H]1c1cccc2cnccc21 ZINC000616600643 350778612 /nfs/dbraw/zinc/77/86/12/350778612.db2.gz GXRDAOUAJCIDPW-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN c1coc([C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000616603415 350788870 /nfs/dbraw/zinc/78/88/70/350788870.db2.gz ODEPXNNJQYHSCS-ZDUSSCGKSA-N 0 0 244.294 2.248 10 0 BEAERN COc1ccc2c(c1)C[C@H](O)[C@@H](CC1CC1)N2 ZINC000725268043 538099356 /nfs/dbraw/zinc/09/93/56/538099356.db2.gz GVLSIDSAZUXEDJ-KGLIPLIRSA-N 0 0 233.311 2.193 10 0 BEAERN CCOC(=O)N1CCC[C@@H]1c1ccc(CO)cc1 ZINC000616607043 350799583 /nfs/dbraw/zinc/79/95/83/350799583.db2.gz QHQKJPDDHATRLM-CYBMUJFWSA-N 0 0 249.310 2.472 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616609461 350802801 /nfs/dbraw/zinc/80/28/01/350802801.db2.gz AWMKJUFAMWOKIN-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cccc2cccnc21 ZINC000616610597 350806207 /nfs/dbraw/zinc/80/62/07/350806207.db2.gz VPMARUSKMYLMMB-LBPRGKRZSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616610523 350806432 /nfs/dbraw/zinc/80/64/32/350806432.db2.gz SDKRAHRLEZNDDY-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN NC(=O)N1CCC[C@H]1c1cccc2cnccc21 ZINC000616609895 350807957 /nfs/dbraw/zinc/80/79/57/350807957.db2.gz IULMDZPBFVOJRH-ZDUSSCGKSA-N 0 0 241.294 2.450 10 0 BEAERN C[C@@H](O)CCc1nc2c(ncnc2Cl)s1 ZINC000306676839 350829611 /nfs/dbraw/zinc/82/96/11/350829611.db2.gz XFUUZYFBLOVDOH-RXMQYKEDSA-N 0 0 243.719 2.053 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616615399 350846885 /nfs/dbraw/zinc/84/68/85/350846885.db2.gz XXXBRIVSDUVNOT-OAHLLOKOSA-N 0 0 247.338 2.295 10 0 BEAERN CCOC(=O)N1CCCC[C@H]1c1cncnc1 ZINC000616615734 350849670 /nfs/dbraw/zinc/84/96/70/350849670.db2.gz PTLHTUGCHQTPQJ-NSHDSACASA-N 0 0 235.287 2.160 10 0 BEAERN OC[C@@H](CCNc1ccccc1)[C@@H]1CCOC1 ZINC000725267725 538099515 /nfs/dbraw/zinc/09/95/15/538099515.db2.gz UMFMJITWHCQFFX-CHWSQXEVSA-N 0 0 235.327 2.134 10 0 BEAERN CO[C@H](C)CNc1cnc(Cl)cc1C ZINC000306708083 350856791 /nfs/dbraw/zinc/85/67/91/350856791.db2.gz NRHWERIXZQKOHK-MRVPVSSYSA-N 0 0 214.696 2.490 10 0 BEAERN COC(=O)N1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616892 350858592 /nfs/dbraw/zinc/85/85/92/350858592.db2.gz WRUKIDFCFXNWIH-ZDUSSCGKSA-N 0 0 249.310 2.472 10 0 BEAERN CCOC(=O)N1CCC[C@@H](c2ccon2)C1 ZINC000616617354 350865215 /nfs/dbraw/zinc/86/52/15/350865215.db2.gz SQBQIJZOGVCSTP-SECBINFHSA-N 0 0 224.260 2.011 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1ccccc1CO ZINC000616614144 350826926 /nfs/dbraw/zinc/82/69/26/350826926.db2.gz ABHXCQSKZHHTNV-CQSZACIVSA-N 0 0 233.311 2.252 10 0 BEAERN COC(=O)c1c(C)c(OC)cc(Cl)c1N ZINC000306731015 350899194 /nfs/dbraw/zinc/89/91/94/350899194.db2.gz QCDNBTLQYYWZTO-UHFFFAOYSA-N 0 0 229.663 2.026 10 0 BEAERN CC(C)(C)[C@H](O)C[C@H]1CCCC[C@H]1O ZINC000252611462 350912795 /nfs/dbraw/zinc/91/27/95/350912795.db2.gz VPAHSSJVRISQGH-GMTAPVOTSA-N 0 0 200.322 2.335 10 0 BEAERN O=C1C[C@@H](c2c(F)cccc2Br)N1 ZINC000306742448 350931834 /nfs/dbraw/zinc/93/18/34/350931834.db2.gz FYBYCYYHPMGKBU-ZETCQYMHSA-N 0 0 244.063 2.149 10 0 BEAERN COc1cccc([C@@H]2CCCN(C(C)=O)C2)c1 ZINC000616620094 350932985 /nfs/dbraw/zinc/93/29/85/350932985.db2.gz NUMVTKCSKYODIA-CYBMUJFWSA-N 0 0 233.311 2.421 10 0 BEAERN CNc1ccc([C@H]2CCCN(C(C)=O)C2)cc1 ZINC000616620151 350933744 /nfs/dbraw/zinc/93/37/44/350933744.db2.gz GDBCEJFWWZQIQY-ZDUSSCGKSA-N 0 0 232.327 2.454 10 0 BEAERN C[C@H](NC1=NC[C@@H](C)S1)C(F)(F)F ZINC000306746358 350934318 /nfs/dbraw/zinc/93/43/18/350934318.db2.gz IVHKGSVXYZQHKS-UHNVWZDZSA-N 0 0 212.240 2.018 10 0 BEAERN CCOC(=O)N1CCC[C@H](c2cnco2)C1 ZINC000616617622 350870058 /nfs/dbraw/zinc/87/00/58/350870058.db2.gz XSUSFTDOEOYDKH-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN O=C(CN1CCC1)c1sccc1Cl ZINC000306711093 350871404 /nfs/dbraw/zinc/87/14/04/350871404.db2.gz RQUAWTQMMQCFFD-UHFFFAOYSA-N 0 0 215.705 2.290 10 0 BEAERN Nc1c(F)ccc(O)c1OC(F)(F)F ZINC000306717817 350878077 /nfs/dbraw/zinc/87/80/77/350878077.db2.gz HVPBYDLGAUTNRC-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN C[N@H+]([C@H]1CC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000250442904 350881265 /nfs/dbraw/zinc/88/12/65/350881265.db2.gz UEXVRFMGMKOWTM-MNOVXSKESA-N 0 0 211.305 2.114 10 0 BEAERN CCOC(=O)N1CCC[C@@H](OC(F)(F)F)C1 ZINC000616618260 350885629 /nfs/dbraw/zinc/88/56/29/350885629.db2.gz KTFLCWWWVOCECO-SSDOTTSWSA-N 0 0 241.209 2.144 10 0 BEAERN C[C@@H](Nc1cnnc(Cl)c1)C(F)F ZINC000306721725 350889189 /nfs/dbraw/zinc/88/91/89/350889189.db2.gz OXZBRGZVRCVBFW-SCSAIBSYSA-N 0 0 207.611 2.196 10 0 BEAERN CC(=O)c1cn(Cc2sccc2Cl)nn1 ZINC000306722265 350889605 /nfs/dbraw/zinc/88/96/05/350889605.db2.gz FPXSFNUGHJZRSX-UHFFFAOYSA-N 0 0 241.703 2.244 10 0 BEAERN CC[C@@H](C)C(=O)Nc1nccnc1Cl ZINC000226021194 350894706 /nfs/dbraw/zinc/89/47/06/350894706.db2.gz WOXFBHCKWGWKBI-ZCFIWIBFSA-N 0 0 213.668 2.115 10 0 BEAERN NNc1cc2ccccc2nc1[C@H]1CCOC1 ZINC000725268095 538099732 /nfs/dbraw/zinc/09/97/32/538099732.db2.gz JOCYJRLWOWVXGE-JTQLQIEISA-N 0 0 229.283 2.024 10 0 BEAERN O=C(N[C@H]1CCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398054204 350997921 /nfs/dbraw/zinc/99/79/21/350997921.db2.gz USEWWJMBZPYRQD-JXUBOQSCSA-N 0 0 229.270 2.337 10 0 BEAERN Cc1cocc1[C@H](O)c1scnc1C ZINC000306772015 351009640 /nfs/dbraw/zinc/00/96/40/351009640.db2.gz CUVMHXVBSVYXPH-VIFPVBQESA-N 0 0 209.270 2.435 10 0 BEAERN COc1cccc([C@H]2CCCN(C(C)=O)C2)c1 ZINC000616620905 350946082 /nfs/dbraw/zinc/94/60/82/350946082.db2.gz NUMVTKCSKYODIA-ZDUSSCGKSA-N 0 0 233.311 2.421 10 0 BEAERN Cc1occc1-c1noc(C[C@H](O)C(C)C)n1 ZINC000165704587 180535865 /nfs/dbraw/zinc/53/58/65/180535865.db2.gz WYDDGCJMKQXPBN-JTQLQIEISA-N 0 0 236.271 2.197 10 0 BEAERN Cc1csc([C@@H]2NC[C@H](C)CS2)n1 ZINC000159621882 350955380 /nfs/dbraw/zinc/95/53/80/350955380.db2.gz VMIMEBGSCXAOSD-POYBYMJQSA-N 0 0 214.359 2.423 10 0 BEAERN CC[C@@H]1CC[C@H](O)[C@@H](CC(C)(C)O)C1 ZINC000222425964 350956501 /nfs/dbraw/zinc/95/65/01/350956501.db2.gz QGUOBZDAVODRCD-MXWKQRLJSA-N 0 0 200.322 2.335 10 0 BEAERN COC(=O)N1CCCCC[C@@H]1c1cnco1 ZINC000616621430 351034794 /nfs/dbraw/zinc/03/47/94/351034794.db2.gz DSBSTTSPRPOHKQ-SECBINFHSA-N 0 0 224.260 2.358 10 0 BEAERN COc1cc(F)cc(N)c1C(F)(F)F ZINC000306787121 351035699 /nfs/dbraw/zinc/03/56/99/351035699.db2.gz QAHCSRWPTZNANG-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN O=C(c1cc(Br)ccc1F)N1CC1 ZINC000306790021 351039307 /nfs/dbraw/zinc/03/93/07/351039307.db2.gz UVXDERLDFRPNOY-UHFFFAOYSA-N 0 0 244.063 2.044 10 0 BEAERN Nc1cc(F)c(O)cc1OC(F)(F)F ZINC000306791209 351041814 /nfs/dbraw/zinc/04/18/14/351041814.db2.gz WTNXJQKISVONPF-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN N[C@H](Cc1ccncc1Cl)C(F)(F)F ZINC000159933339 351044369 /nfs/dbraw/zinc/04/43/69/351044369.db2.gz PDHFDYIWSZHBCY-SSDOTTSWSA-N 0 0 224.613 2.167 10 0 BEAERN CO[C@@H]1CCN(c2cc(Cl)nc(Cl)n2)C1 ZINC000306796323 351047397 /nfs/dbraw/zinc/04/73/97/351047397.db2.gz HPHLTQYXYCXIBK-ZCFIWIBFSA-N 0 0 248.113 2.009 10 0 BEAERN CC(C)[S@](=O)Nc1ccc(O)cc1F ZINC000306796009 351048180 /nfs/dbraw/zinc/04/81/80/351048180.db2.gz HGSDRQRBLRUEMK-AWEZNQCLSA-N 0 0 217.265 2.015 10 0 BEAERN C[C@]1([C@@H]2CCC[C@@H](CO)O2)CCCS1 ZINC000306805315 351056938 /nfs/dbraw/zinc/05/69/38/351056938.db2.gz ZYKHZVFCCIWAPN-GARJFASQSA-N 0 0 216.346 2.202 10 0 BEAERN OCC1CCC(Nc2nsnc2Cl)CC1 ZINC000306806146 351057603 /nfs/dbraw/zinc/05/76/03/351057603.db2.gz IVJZYRXGXIYCLO-UHFFFAOYSA-N 0 0 247.751 2.155 10 0 BEAERN Cc1ccc([C@@H]2NC(=O)[C@@H]2C(C)C)s1 ZINC000306807260 351059419 /nfs/dbraw/zinc/05/94/19/351059419.db2.gz LTSAYVDHRURCJC-ZJUUUORDSA-N 0 0 209.314 2.500 10 0 BEAERN Cc1cccc(N[S@@](=O)C(C)C)c1O ZINC000306809323 351062022 /nfs/dbraw/zinc/06/20/22/351062022.db2.gz RPKRRIRQYJTECI-AWEZNQCLSA-N 0 0 213.302 2.185 10 0 BEAERN CC1(C)CCC[C@]1(O)c1cnc(N)s1 ZINC000159846799 351013001 /nfs/dbraw/zinc/01/30/01/351013001.db2.gz YEHLDZWKQXDMKC-JTQLQIEISA-N 0 0 212.318 2.123 10 0 BEAERN COc1cccc([C@H]2CCCN(C(N)=O)CC2)c1 ZINC000616629513 351100831 /nfs/dbraw/zinc/10/08/31/351100831.db2.gz REHKKPBZSZONLT-NSHDSACASA-N 0 0 248.326 2.343 10 0 BEAERN CNc1ccccc1[C@H]1CCCN1C(C)=O ZINC000616633230 351114662 /nfs/dbraw/zinc/11/46/62/351114662.db2.gz MVULQPJJOPNSEV-CYBMUJFWSA-N 0 0 218.300 2.412 10 0 BEAERN CCOC(=O)N1CCC[C@H]1c1ccccc1CO ZINC000616633603 351115421 /nfs/dbraw/zinc/11/54/21/351115421.db2.gz OAILGSJUZTWYPB-ZDUSSCGKSA-N 0 0 249.310 2.472 10 0 BEAERN CCN1CCOC[C@@H]1c1cccc(NC)c1 ZINC000616636203 351123641 /nfs/dbraw/zinc/12/36/41/351123641.db2.gz BNAULCMDDHCZIM-CYBMUJFWSA-N 0 0 220.316 2.122 10 0 BEAERN N#Cc1c(F)ccc(N)c1Br ZINC000260706194 351077930 /nfs/dbraw/zinc/07/79/30/351077930.db2.gz BCWCGOHWOQKTDL-UHFFFAOYSA-N 0 0 215.025 2.042 10 0 BEAERN COc1cc([C@H]2CCCC2=O)c(F)cn1 ZINC000306811974 351080520 /nfs/dbraw/zinc/08/05/20/351080520.db2.gz XZBOEQRWWOEAQA-SSDOTTSWSA-N 0 0 209.220 2.066 10 0 BEAERN Cc1sc(N)nc1-c1ccc2oc(=O)[nH]c2c1 ZINC000011731205 180558465 /nfs/dbraw/zinc/55/84/65/180558465.db2.gz HUYFJMSIIYHXJD-UHFFFAOYSA-N 0 0 247.279 2.135 10 0 BEAERN NC(=O)N1CCCCC[C@H]1c1ccccn1 ZINC000616622835 351087377 /nfs/dbraw/zinc/08/73/77/351087377.db2.gz HANMIODMEQUOIJ-NSHDSACASA-N 0 0 219.288 2.077 10 0 BEAERN CC(=O)N1CCCCC[C@@H]1OC(F)(F)F ZINC000616623319 351088506 /nfs/dbraw/zinc/08/85/06/351088506.db2.gz DGEYBDVKXWQWHY-QMMMGPOBSA-N 0 0 225.210 2.271 10 0 BEAERN CCOC(=O)N1CCCCC[C@@H]1c1cc[nH]n1 ZINC000616623560 351089118 /nfs/dbraw/zinc/08/91/18/351089118.db2.gz MSVOWOQLFXMDAF-LLVKDONJSA-N 0 0 237.303 2.483 10 0 BEAERN O=C([O-])c1ccccc1[C@@H]1CCCC[NH2+]C1 ZINC000616624742 351091657 /nfs/dbraw/zinc/09/16/57/351091657.db2.gz ICLKZXVPIUOULF-SNVBAGLBSA-N 0 0 219.284 2.242 10 0 BEAERN CNc1cccc([C@@H]2CCCCN(C(N)=O)C2)c1 ZINC000616628224 351097644 /nfs/dbraw/zinc/09/76/44/351097644.db2.gz IDBXPXPRXMHLGU-GFCCVEGCSA-N 0 0 247.342 2.377 10 0 BEAERN CC(=O)N1CCCC[C@@H](c2ccccn2)C1 ZINC000616628318 351097901 /nfs/dbraw/zinc/09/79/01/351097901.db2.gz JCNXYXJVLACORR-GFCCVEGCSA-N 0 0 218.300 2.198 10 0 BEAERN COC(=O)N1CCCC[C@H](c2cnoc2)C1 ZINC000616629329 351100169 /nfs/dbraw/zinc/10/01/69/351100169.db2.gz SAYHZMLTPQIQBT-VIFPVBQESA-N 0 0 224.260 2.011 10 0 BEAERN c1coc([C@H]2COCCN2Cc2ccccc2)n1 ZINC000616640462 351146252 /nfs/dbraw/zinc/14/62/52/351146252.db2.gz SITZCJRAWBHYOG-CYBMUJFWSA-N 0 0 244.294 2.248 10 0 BEAERN COc1cccc([C@@H]2COCCN2C(C)C)c1 ZINC000616641173 351147720 /nfs/dbraw/zinc/14/77/20/351147720.db2.gz CSCAJCFFJWIJBE-AWEZNQCLSA-N 0 0 235.327 2.477 10 0 BEAERN CN1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641780 351151871 /nfs/dbraw/zinc/15/18/71/351151871.db2.gz PKZQYQPUYAZDQF-AWEZNQCLSA-N 0 0 228.295 2.238 10 0 BEAERN COc1cncnc1NCc1ccccc1 ZINC000306843575 351157478 /nfs/dbraw/zinc/15/74/78/351157478.db2.gz DGTKOBVVXOUCKK-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN CCN1CCO[C@H](c2cccc(NC)c2)C1 ZINC000616643669 351157552 /nfs/dbraw/zinc/15/75/52/351157552.db2.gz VUXTZZUCZFZDFD-ZDUSSCGKSA-N 0 0 220.316 2.122 10 0 BEAERN CNc1cccc([C@H]2COCCCN2C(C)=O)c1 ZINC000616646898 351164219 /nfs/dbraw/zinc/16/42/19/351164219.db2.gz CMWYMXDYJVFBTP-CQSZACIVSA-N 0 0 248.326 2.038 10 0 BEAERN CC[N@@H+]1CCCOC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616646150 351170212 /nfs/dbraw/zinc/17/02/12/351170212.db2.gz OLCKPADRVQPWSE-CYBMUJFWSA-N 0 0 249.310 2.168 10 0 BEAERN Nc1cncc(Br)c1C(F)(F)F ZINC000306852695 351176322 /nfs/dbraw/zinc/17/63/22/351176322.db2.gz SKYJTOCRURZFHW-UHFFFAOYSA-N 0 0 241.010 2.445 10 0 BEAERN C[C@@H](CO)Sc1cc(N)ccc1Cl ZINC000306858626 351180961 /nfs/dbraw/zinc/18/09/61/351180961.db2.gz ZPGWBJMKRVBYIH-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN CN(Cc1ccccc1)c1ncc(F)cc1N ZINC000306856699 351182629 /nfs/dbraw/zinc/18/26/29/351182629.db2.gz YIQFBIZIUFNZPG-UHFFFAOYSA-N 0 0 231.274 2.439 10 0 BEAERN F[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000616651523 351182649 /nfs/dbraw/zinc/18/26/49/351182649.db2.gz BKYJPCZWKXYEGB-LBPRGKRZSA-N 0 0 209.264 2.205 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2cnoc2)C1 ZINC000616650453 351184426 /nfs/dbraw/zinc/18/44/26/351184426.db2.gz DNDRUUUHNVHIKW-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCN(C)c1ccncc1Br ZINC000159951737 351130371 /nfs/dbraw/zinc/13/03/71/351130371.db2.gz MOQVCEIBCSMPHQ-UHFFFAOYSA-N 0 0 215.094 2.300 10 0 BEAERN CN1CCOC[C@@H]1c1ccc2cccnc2c1 ZINC000616637427 351133232 /nfs/dbraw/zinc/13/32/32/351133232.db2.gz MZAKYYKEQPIOFX-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCOC[C@@H]1c1ccc2ncccc2c1 ZINC000616638455 351139067 /nfs/dbraw/zinc/13/90/67/351139067.db2.gz UAGHHBGCQVTRQJ-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CN1C[C@H](c2ccno2)Cc2ccccc21 ZINC000616669323 351228947 /nfs/dbraw/zinc/22/89/47/351228947.db2.gz FTWPBZQTGZVFMG-LLVKDONJSA-N 0 0 214.268 2.451 10 0 BEAERN NC(=O)N1c2ccccc2CC[C@@H]1C(F)(F)F ZINC000616670087 351231712 /nfs/dbraw/zinc/23/17/12/351231712.db2.gz YQZZCSRWJHLCEH-SECBINFHSA-N 0 0 244.216 2.449 10 0 BEAERN c1ncc([C@@H]2CNc3ccccc3C2)o1 ZINC000616670007 351231881 /nfs/dbraw/zinc/23/18/81/351231881.db2.gz QLTWUXIFSVSPHC-JTQLQIEISA-N 0 0 200.241 2.426 10 0 BEAERN OCCN1c2ccccc2CC[C@@H]1c1cnoc1 ZINC000616670293 351232655 /nfs/dbraw/zinc/23/26/55/351232655.db2.gz WUEYQHHJZSUIGA-CQSZACIVSA-N 0 0 244.294 2.161 10 0 BEAERN CCN1c2ccccc2CC[C@@H]1c1cc(N)n[nH]1 ZINC000616670353 351232725 /nfs/dbraw/zinc/23/27/25/351232725.db2.gz XKHBIPKNQSHFSZ-CYBMUJFWSA-N 0 0 242.326 2.336 10 0 BEAERN CN1C[C@@H](c2ccc(N)nc2)Cc2ccccc21 ZINC000616672397 351235868 /nfs/dbraw/zinc/23/58/68/351235868.db2.gz JQYHFBCXWMYUBM-ZDUSSCGKSA-N 0 0 239.322 2.270 10 0 BEAERN CN1CC[C@@H](c2cnno2)c2ccccc21 ZINC000616671762 351236626 /nfs/dbraw/zinc/23/66/26/351236626.db2.gz GTAZKYWZXCXOMZ-SNVBAGLBSA-N 0 0 215.256 2.041 10 0 BEAERN NC(=O)N1CC[C@@H](c2cnco2)c2ccccc21 ZINC000616673786 351237878 /nfs/dbraw/zinc/23/78/78/351237878.db2.gz DTHGZPZXWOJARM-SNVBAGLBSA-N 0 0 243.266 2.095 10 0 BEAERN OCCN1CC[C@@H](c2cnco2)c2ccccc21 ZINC000616673760 351237891 /nfs/dbraw/zinc/23/78/91/351237891.db2.gz ZQHHPZQJPDXFSW-GFCCVEGCSA-N 0 0 244.294 2.009 10 0 BEAERN c1cnc([C@H]2CCNc3ccccc32)nc1 ZINC000616674449 351238684 /nfs/dbraw/zinc/23/86/84/351238684.db2.gz HGNJDODTNKAFEQ-NSHDSACASA-N 0 0 211.268 2.424 10 0 BEAERN CCN1CC[C@@H](n2ccc(N)n2)c2ccccc21 ZINC000616672608 351239784 /nfs/dbraw/zinc/23/97/84/351239784.db2.gz NPCIOOOKGNLULP-CYBMUJFWSA-N 0 0 242.326 2.115 10 0 BEAERN CN1C[C@@H](c2cc[nH]n2)Cc2ccccc21 ZINC000616673203 351240365 /nfs/dbraw/zinc/24/03/65/351240365.db2.gz QDBNRTCIEZCUKB-NSHDSACASA-N 0 0 213.284 2.186 10 0 BEAERN CC(C)(C)N1C[C@@H](O)Cc2ccccc21 ZINC000616673159 351240466 /nfs/dbraw/zinc/24/04/66/351240466.db2.gz ORYHBMZTXFHXLQ-NSHDSACASA-N 0 0 205.301 2.209 10 0 BEAERN NC(=O)N1CC[C@H](c2cnoc2)c2ccccc21 ZINC000616676612 351241483 /nfs/dbraw/zinc/24/14/83/351241483.db2.gz WMBCYGTULLOHOP-SNVBAGLBSA-N 0 0 243.266 2.095 10 0 BEAERN CCN1CC[C@H](c2conn2)c2ccccc21 ZINC000616675017 351242375 /nfs/dbraw/zinc/24/23/75/351242375.db2.gz JDSGBRPOIWCQRG-JTQLQIEISA-N 0 0 229.283 2.432 10 0 BEAERN CN1CCO[C@@H](c2ccc3cccnc3c2)C1 ZINC000616675569 351243019 /nfs/dbraw/zinc/24/30/19/351243019.db2.gz GPRVQOGEFFOPRL-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CN1CCO[C@@H](c2ccc3ccccc3n2)C1 ZINC000616675537 351243109 /nfs/dbraw/zinc/24/31/09/351243109.db2.gz FNFCRQBRKMUHEF-CQSZACIVSA-N 0 0 228.295 2.238 10 0 BEAERN CN1C[C@@H](c2cccc(N)n2)Nc2ccccc21 ZINC000616680742 351248013 /nfs/dbraw/zinc/24/80/13/351248013.db2.gz GOABBNJHGFLJEP-LBPRGKRZSA-N 0 0 240.310 2.267 10 0 BEAERN CCN1C[C@H](c2ccnnc2)Nc2ccccc21 ZINC000616682057 351252194 /nfs/dbraw/zinc/25/21/94/351252194.db2.gz GREYLKXZJTUOKI-CYBMUJFWSA-N 0 0 240.310 2.470 10 0 BEAERN CN1C[C@H](OC(F)(F)F)Nc2ccccc21 ZINC000616682215 351252720 /nfs/dbraw/zinc/25/27/20/351252720.db2.gz HSQHPQVPFARGLT-VIFPVBQESA-N 0 0 232.205 2.411 10 0 BEAERN CN1C[C@H](c2cccnn2)Nc2ccccc21 ZINC000616682390 351252794 /nfs/dbraw/zinc/25/27/94/351252794.db2.gz KIANYIPOLVLWOD-GFCCVEGCSA-N 0 0 226.283 2.080 10 0 BEAERN CC(=O)N1c2ccccc2NC[C@H]1c1cocn1 ZINC000616682513 351252969 /nfs/dbraw/zinc/25/29/69/351252969.db2.gz HDXWUYLPMAHGKC-ZDUSSCGKSA-N 0 0 243.266 2.194 10 0 BEAERN CC(C)(C)N1C[C@H](CO)Nc2ccccc21 ZINC000616684423 351255141 /nfs/dbraw/zinc/25/51/41/351255141.db2.gz ZYZTZSUQMJEOST-SNVBAGLBSA-N 0 0 220.316 2.078 10 0 BEAERN O=C([O-])N1C[C@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616686430 351257044 /nfs/dbraw/zinc/25/70/44/351257044.db2.gz ZGHCGKGURIYIHX-SNVBAGLBSA-N 0 0 244.254 2.061 10 0 BEAERN COC(=O)N1C[C@@H](C)Nc2ccccc21 ZINC000616687146 351259371 /nfs/dbraw/zinc/25/93/71/351259371.db2.gz YKJCRMNYXFUWIC-MRVPVSSYSA-N 0 0 206.245 2.073 10 0 BEAERN CC(=O)N1C[C@@H](c2ccno2)Cc2ccccc21 ZINC000616689663 351259459 /nfs/dbraw/zinc/25/94/59/351259459.db2.gz IXEAZGHJEALCRJ-LBPRGKRZSA-N 0 0 242.278 2.367 10 0 BEAERN CC(=O)N1CCCO[C@@H](c2cccc(F)c2)C1 ZINC000616654476 351195625 /nfs/dbraw/zinc/19/56/25/351195625.db2.gz DRWBNPXTCDVLTJ-CYBMUJFWSA-N 0 0 237.274 2.136 10 0 BEAERN CC(C)(C)N1CCOCC[C@@H]1C(F)(F)F ZINC000616655522 351195735 /nfs/dbraw/zinc/19/57/35/351195735.db2.gz FTOHLWQSSHZBCQ-MRVPVSSYSA-N 0 0 225.254 2.438 10 0 BEAERN CCOC(=O)N1CCCC[C@@H](c2ncco2)C1 ZINC000616654297 351195754 /nfs/dbraw/zinc/19/57/54/351195754.db2.gz SCFCSNNLSZMARX-SNVBAGLBSA-N 0 0 238.287 2.401 10 0 BEAERN CCOC(=O)N1CCOC[C@H](C(C)(C)C)C1 ZINC000616660106 351209183 /nfs/dbraw/zinc/20/91/83/351209183.db2.gz RVHVQSPMUUUZHR-SNVBAGLBSA-N 0 0 229.320 2.137 10 0 BEAERN COC(=O)N1c2ccccc2CC[C@H]1OC ZINC000616667412 351224140 /nfs/dbraw/zinc/22/41/40/351224140.db2.gz LLFSAZUENAVTDL-LLVKDONJSA-N 0 0 221.256 2.178 10 0 BEAERN c1cc([C@@H]2CNc3ccccc3C2)no1 ZINC000616667943 351224775 /nfs/dbraw/zinc/22/47/75/351224775.db2.gz FUHOVUYBUPQZIB-JTQLQIEISA-N 0 0 200.241 2.426 10 0 BEAERN OCCN1c2ccccc2CC[C@H]1c1ncco1 ZINC000616668695 351227993 /nfs/dbraw/zinc/22/79/93/351227993.db2.gz DDUSMXIOHSBRMO-ZDUSSCGKSA-N 0 0 244.294 2.161 10 0 BEAERN c1coc([C@@H]2CNc3ccccc3C2)n1 ZINC000616669090 351228212 /nfs/dbraw/zinc/22/82/12/351228212.db2.gz KRJOVMBYBBQNFT-JTQLQIEISA-N 0 0 200.241 2.426 10 0 BEAERN c1nc([C@@H]2CNc3ccccc3C2)co1 ZINC000616669986 351228252 /nfs/dbraw/zinc/22/82/52/351228252.db2.gz QDPZYTOROVSPCY-JTQLQIEISA-N 0 0 200.241 2.426 10 0 BEAERN CC(=O)N1c2ccccc2CC[C@H]1c1c[nH]cn1 ZINC000616669435 351228607 /nfs/dbraw/zinc/22/86/07/351228607.db2.gz IKDCXYOLDOIMES-AWEZNQCLSA-N 0 0 241.294 2.450 10 0 BEAERN CCc1cnc([C@H](O)c2ccc[nH]2)s1 ZINC000306885394 351292376 /nfs/dbraw/zinc/29/23/76/351292376.db2.gz RIJGDFSCARPVGW-SECBINFHSA-N 0 0 208.286 2.115 10 0 BEAERN C[C@@H]1SCCC[C@@]1(O)C1=COCCC1 ZINC000159983315 351266158 /nfs/dbraw/zinc/26/61/58/351266158.db2.gz OIMSBRWIKCWNEX-ONGXEEELSA-N 0 0 214.330 2.327 10 0 BEAERN CC[C@@H]1OC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000034778419 351269002 /nfs/dbraw/zinc/26/90/02/351269002.db2.gz HQNMDBUZQRWWKN-VHSXEESVSA-N 0 0 209.220 2.385 10 0 BEAERN Cc1cnn([C@@H](C)c2cccs2)c1N ZINC000034963997 351367564 /nfs/dbraw/zinc/36/75/64/351367564.db2.gz SQVBQOPIYORYTJ-QMMMGPOBSA-N 0 0 207.302 2.445 10 0 BEAERN O=C1CCCS(=O)(=O)c2ccc(Cl)cc21 ZINC000034975111 351369712 /nfs/dbraw/zinc/36/97/12/351369712.db2.gz HIZNJEBKJUOYRZ-UHFFFAOYSA-N 0 0 244.699 2.090 10 0 BEAERN Cc1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)on1 ZINC000631126880 351377958 /nfs/dbraw/zinc/37/79/58/351377958.db2.gz NCNSVACMGGRYLP-GHMZBOCLSA-N 0 0 238.331 2.276 10 0 BEAERN CC(C)(C)NC(=O)[C@@H]1CCCC1(F)F ZINC000306962378 351384094 /nfs/dbraw/zinc/38/40/94/351384094.db2.gz FYVGMEMBWURGGQ-ZETCQYMHSA-N 0 0 205.248 2.337 10 0 BEAERN O=S1(=O)C=C[C@H](c2cccc(Cl)c2)C1 ZINC000040173703 351390796 /nfs/dbraw/zinc/39/07/96/351390796.db2.gz SNFNAYRVWQOKDV-VIFPVBQESA-N 0 0 228.700 2.366 10 0 BEAERN CC(C)NC(=O)CNc1ccsc1Cl ZINC000306977274 351396214 /nfs/dbraw/zinc/39/62/14/351396214.db2.gz ARPSCCJNSUEJDV-UHFFFAOYSA-N 0 0 232.736 2.338 10 0 BEAERN CC(=O)c1c[nH]c([C@]2(C)CCCS2)n1 ZINC000306977319 351396456 /nfs/dbraw/zinc/39/64/56/351396456.db2.gz APVQPPGAWBEVKE-JTQLQIEISA-N 0 0 210.302 2.355 10 0 BEAERN C[C@H]1CCN(C2N=NC(=S)S2)[C@H]1C ZINC000306982076 351399771 /nfs/dbraw/zinc/39/97/71/351399771.db2.gz QYTZCPACSPGUEQ-WDSKDSINSA-N 0 0 215.347 2.062 10 0 BEAERN Cc1cc(-c2nn(C)cc2C=O)oc1C ZINC000306922028 351342256 /nfs/dbraw/zinc/34/22/56/351342256.db2.gz STAZETSQEWXQSV-UHFFFAOYSA-N 0 0 204.229 2.109 10 0 BEAERN CC[C@@H](C)C(=O)Nc1nnc(Cl)s1 ZINC000306924719 351343262 /nfs/dbraw/zinc/34/32/62/351343262.db2.gz KKMCAEDBXKQBNH-SCSAIBSYSA-N 0 0 219.697 2.176 10 0 BEAERN CCOC(=O)c1c(Br)ccnc1F ZINC000306935995 351360223 /nfs/dbraw/zinc/36/02/23/351360223.db2.gz JABHCVQLXQQLNP-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN CSc1ccc(Cn2nccc2N)cc1 ZINC000034958880 351362677 /nfs/dbraw/zinc/36/26/77/351362677.db2.gz DGCLPCZEVZAGSU-UHFFFAOYSA-N 0 0 219.313 2.236 10 0 BEAERN CO/C=C\c1cccnc1Br ZINC000218235722 351432791 /nfs/dbraw/zinc/43/27/91/351432791.db2.gz KUNAEAAAKMZQGY-XQRVVYSFSA-N 0 0 214.062 2.461 10 0 BEAERN O=C1CC[C@@H](N2CCC=C(Br)C2)C1 ZINC000404425403 351439769 /nfs/dbraw/zinc/43/97/69/351439769.db2.gz MAEFXHCXWMXMPK-SECBINFHSA-N 0 0 244.132 2.093 10 0 BEAERN O=C1CCC[C@@H]1N1CCC=C(Br)C1 ZINC000404431906 351448693 /nfs/dbraw/zinc/44/86/93/351448693.db2.gz QXCFSYLQQSWOAL-VIFPVBQESA-N 0 0 244.132 2.093 10 0 BEAERN Cc1cnc([C@@H]2NC[C@@H](C)CS2)s1 ZINC000307051304 351453043 /nfs/dbraw/zinc/45/30/43/351453043.db2.gz SJBJMHVZIGXGIE-HTRCEHHLSA-N 0 0 214.359 2.423 10 0 BEAERN Nc1cc(OC(F)(F)F)c(O)cc1F ZINC000307055340 351455013 /nfs/dbraw/zinc/45/50/13/351455013.db2.gz SVSZHYPWDZXQCR-UHFFFAOYSA-N 0 0 211.114 2.012 10 0 BEAERN CC[C@H]1CS[C@@H](c2ccns2)N1 ZINC000404451246 351463886 /nfs/dbraw/zinc/46/38/86/351463886.db2.gz RKPBEGULCFBWDH-XPUUQOCRSA-N 0 0 200.332 2.257 10 0 BEAERN C[C@H](NC1=NCCCS1)C(F)(F)F ZINC000307070388 351463973 /nfs/dbraw/zinc/46/39/73/351463973.db2.gz FDEQYZCYGLXPBX-YFKPBYRVSA-N 0 0 212.240 2.020 10 0 BEAERN C[C@H]1CSC[C@H]1n1cc[nH]c1=S ZINC000306991578 351409678 /nfs/dbraw/zinc/40/96/78/351409678.db2.gz VHKWYQZXSXWQIB-NKWVEPMBSA-N 0 0 200.332 2.096 10 0 BEAERN Nc1cc(F)cc(Cc2nccs2)c1 ZINC000307003364 351413570 /nfs/dbraw/zinc/41/35/70/351413570.db2.gz DBPBVJVHYHOGEO-UHFFFAOYSA-N 0 0 208.261 2.455 10 0 BEAERN CC1(C)CCNC(=O)N(Cc2ccccc2)C1=O ZINC000307007191 351415524 /nfs/dbraw/zinc/41/55/24/351415524.db2.gz GCMFUPOGRUCDCP-UHFFFAOYSA-N 0 0 246.310 2.155 10 0 BEAERN Cn1cc(N)c(Nc2ccsc2Cl)n1 ZINC000307006396 351415540 /nfs/dbraw/zinc/41/55/40/351415540.db2.gz FXMLYGJYCBTYEW-UHFFFAOYSA-N 0 0 228.708 2.461 10 0 BEAERN CC(C)(C)OC(=O)Nc1cc(O)ccc1N ZINC000307012767 351420174 /nfs/dbraw/zinc/42/01/74/351420174.db2.gz QIXUSNWBBZIAAA-UHFFFAOYSA-N 0 0 224.260 2.321 10 0 BEAERN CCc1nc(C2CC(=O)CC(=O)C2)cs1 ZINC000307016836 351423169 /nfs/dbraw/zinc/42/31/69/351423169.db2.gz VNTNQXPXCJDPLG-UHFFFAOYSA-N 0 0 223.297 2.111 10 0 BEAERN C[C@@H](O)c1ccc(N)cc1Br ZINC000307020055 351424684 /nfs/dbraw/zinc/42/46/84/351424684.db2.gz SLVOQUZPMDYEGU-RXMQYKEDSA-N 0 0 216.078 2.085 10 0 BEAERN C[C@H]1NC(=O)Oc2cn(-c3ccccc3)nc21 ZINC000725268150 538100349 /nfs/dbraw/zinc/10/03/49/538100349.db2.gz DSROCKWYXYLNDN-MRVPVSSYSA-N 0 0 229.239 2.035 10 0 BEAERN CC(=O)c1csc(N2CCC(F)(F)C2)n1 ZINC000307143153 351502226 /nfs/dbraw/zinc/50/22/26/351502226.db2.gz GCTNWLSMZYPVPW-UHFFFAOYSA-N 0 0 232.255 2.191 10 0 BEAERN C[C@@H]1CN(c2csc(Cl)n2)CCO1 ZINC000307156927 351507637 /nfs/dbraw/zinc/50/76/37/351507637.db2.gz XNTNWYAICYDLTK-ZCFIWIBFSA-N 0 0 218.709 2.022 10 0 BEAERN Cc1cccc(Cl)c1-n1cc[nH]c1=O ZINC000231938891 351472401 /nfs/dbraw/zinc/47/24/01/351472401.db2.gz QTVIKZLRLPQZKT-UHFFFAOYSA-N 0 0 208.648 2.127 10 0 BEAERN N[C@@H](c1ccc(Cl)o1)c1ccns1 ZINC000307101629 351477209 /nfs/dbraw/zinc/47/72/09/351477209.db2.gz YZQSYSGZOWDVTF-QMMMGPOBSA-N 0 0 214.677 2.438 10 0 BEAERN CC1(Nc2nnc(Br)s2)CC1 ZINC000228910090 351484518 /nfs/dbraw/zinc/48/45/18/351484518.db2.gz PVEIYGPKDUMPFQ-UHFFFAOYSA-N 0 0 234.122 2.265 10 0 BEAERN COc1c(F)ccc(N)c1C(F)(F)F ZINC000307119392 351489035 /nfs/dbraw/zinc/48/90/35/351489035.db2.gz ZFAUBXRRBYESRL-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN CC1(C)CC[C@H]1[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000307121326 351489626 /nfs/dbraw/zinc/48/96/26/351489626.db2.gz IXXPIYHZZABBHE-BXKDBHETSA-N 0 0 211.305 2.114 10 0 BEAERN Cc1c(Cl)ccc(Cl)c1C(N)=O ZINC000307121539 351489738 /nfs/dbraw/zinc/48/97/38/351489738.db2.gz JLSBFFAXYYPBDJ-UHFFFAOYSA-N 0 0 204.056 2.401 10 0 BEAERN C[C@H]1CC[C@H]1NC(=O)C(C)(C)Br ZINC000307161942 351525996 /nfs/dbraw/zinc/52/59/96/351525996.db2.gz XVFADFBDXHKEMJ-NKWVEPMBSA-N 0 0 234.137 2.075 10 0 BEAERN CC1(C)C(=O)N[C@@H]1c1ccc(Br)o1 ZINC000307162207 351527024 /nfs/dbraw/zinc/52/70/24/351527024.db2.gz HCMFTICQFJQXAE-SSDOTTSWSA-N 0 0 244.088 2.239 10 0 BEAERN CC1(C)SC[C@@H]1n1ccc(=O)[nH]c1=S ZINC000307164609 351530707 /nfs/dbraw/zinc/53/07/07/351530707.db2.gz MLOBRVGNTJDNJV-LURJTMIESA-N 0 0 228.342 2.385 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]12CCCC21CCC1 ZINC000307167532 351540311 /nfs/dbraw/zinc/54/03/11/351540311.db2.gz RXBSDQKWAAYIHX-PWSUYJOCSA-N 0 0 210.273 2.041 10 0 BEAERN COC(=O)[C@]1(C)O[C@@]12CCCC21CCC1 ZINC000307167531 351540768 /nfs/dbraw/zinc/54/07/68/351540768.db2.gz RXBSDQKWAAYIHX-JQWIXIFHSA-N 0 0 210.273 2.041 10 0 BEAERN Cc1sccc1C(=O)c1cccc(N)n1 ZINC000307167717 351541552 /nfs/dbraw/zinc/54/15/52/351541552.db2.gz SFSHIIKSHZOGRL-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1[C@H](C)CCC[C@@H]1C ZINC000252108099 363069376 /nfs/dbraw/zinc/06/93/76/363069376.db2.gz HITLCHJQBZFZBD-ZRUFSTJUSA-N 0 0 213.321 2.216 10 0 BEAERN CN1CCCN(Cc2cnc(Cl)s2)C1=O ZINC000307170018 351544161 /nfs/dbraw/zinc/54/41/61/351544161.db2.gz ZPHTVRFAGFTUFC-UHFFFAOYSA-N 0 0 245.735 2.054 10 0 BEAERN CC1(C)SC[C@@H]1[NH2+]Cc1sccc1N ZINC000307169693 351544374 /nfs/dbraw/zinc/54/43/74/351544374.db2.gz YTLOVRWEQJKACB-VIFPVBQESA-N 0 0 228.386 2.314 10 0 BEAERN COC(=O)c1csc(NC2(C)CCC2)n1 ZINC000228948012 351551508 /nfs/dbraw/zinc/55/15/08/351551508.db2.gz XUDOIICIXLWJMJ-UHFFFAOYSA-N 0 0 226.301 2.284 10 0 BEAERN Cn1c2c(cc(Cl)c(N)c2Cl)oc1=O ZINC000062530774 180612821 /nfs/dbraw/zinc/61/28/21/180612821.db2.gz LCKYTHRIDRHREO-UHFFFAOYSA-N 0 0 233.054 2.021 10 0 BEAERN C[C@H](O)c1cnc(-c2ccncc2)s1 ZINC000054160734 351570568 /nfs/dbraw/zinc/57/05/68/351570568.db2.gz AESHRPBAVUTXBC-ZETCQYMHSA-N 0 0 206.270 2.258 10 0 BEAERN Fc1c[nH]c(=S)nc1-c1cnsc1 ZINC000404585969 351570710 /nfs/dbraw/zinc/57/07/10/351570710.db2.gz DCYJISYFTKQWSH-UHFFFAOYSA-N 0 0 213.262 2.028 10 0 BEAERN CC(C)n1c(=S)[nH]c2cnc(Cl)nc21 ZINC000307212650 351613354 /nfs/dbraw/zinc/61/33/54/351613354.db2.gz PIMYPXAIHIMYLG-UHFFFAOYSA-N 0 0 228.708 2.349 10 0 BEAERN COc1cccc2c1N[C@H](C1CCC1)[C@H](O)C2 ZINC000725268487 538100682 /nfs/dbraw/zinc/10/06/82/538100682.db2.gz SKTFIFYJNZDDTE-DGCLKSJQSA-N 0 0 233.311 2.193 10 0 BEAERN FC[C@@H](c1cccs1)N1CCOCC1 ZINC000307209432 351609176 /nfs/dbraw/zinc/60/91/76/351609176.db2.gz LAUJQJHEASJROR-VIFPVBQESA-N 0 0 215.293 2.091 10 0 BEAERN Cc1ccccc1COC1CC(CO)C1 ZINC000606302506 351555621 /nfs/dbraw/zinc/55/56/21/351555621.db2.gz NVUUOZMTNUITCM-UHFFFAOYSA-N 0 0 206.285 2.283 10 0 BEAERN CC[C@H](C)[C@@H]1Nc2c(cccc2OC)C[C@H]1O ZINC000725268607 538100608 /nfs/dbraw/zinc/10/06/08/538100608.db2.gz WRKBMDDFQRSRAX-NDMJEZRESA-N 0 0 235.327 2.439 10 0 BEAERN CCOc1ccc2c(c1)C[C@@H](O)[C@H](C(C)C)N2 ZINC000725268618 538100717 /nfs/dbraw/zinc/10/07/17/538100717.db2.gz WXDBPAITIHONNJ-KGLIPLIRSA-N 0 0 235.327 2.439 10 0 BEAERN Cn1c2cc(Cl)c(Cl)cc2nc1CO ZINC000098179024 180618601 /nfs/dbraw/zinc/61/86/01/180618601.db2.gz IAAFFZPTIXFAAQ-UHFFFAOYSA-N 0 0 231.082 2.372 10 0 BEAERN C[C@H]1CC[C@H](COc2cccnc2F)O1 ZINC000232064566 351615644 /nfs/dbraw/zinc/61/56/44/351615644.db2.gz BFWRCRDHJXHBJO-DTWKUNHWSA-N 0 0 211.236 2.167 10 0 BEAERN CCS[C@@H]1CCN(c2ncc(N)s2)C1 ZINC000307215813 351618282 /nfs/dbraw/zinc/61/82/82/351618282.db2.gz BLLMSZOPKQQPMW-SSDOTTSWSA-N 0 0 229.374 2.057 10 0 BEAERN COc1ccc(C[C@@H](O)[C@H]2C[C@@H]2C)cc1OC ZINC000062137747 187496584 /nfs/dbraw/zinc/49/65/84/187496584.db2.gz AUVKWIZLRXYKMI-ZMLRMANQSA-N 0 0 236.311 2.263 10 0 BEAERN Cc1cncc(Cc2cnc(N)s2)c1 ZINC000232080670 351703266 /nfs/dbraw/zinc/70/32/66/351703266.db2.gz NMCFUNVFCCBXEC-UHFFFAOYSA-N 0 0 205.286 2.020 10 0 BEAERN Cc1ccc2c(c1)C[C@H](O)[C@H]([C@@H]1CCCOC1)N2 ZINC000725268393 538100835 /nfs/dbraw/zinc/10/08/35/538100835.db2.gz PJWFVXJDWLCKDI-UGFHNGPFSA-N 0 0 247.338 2.119 10 0 BEAERN OCc1cc(OC(F)F)cc(F)c1F ZINC000307246707 351751438 /nfs/dbraw/zinc/75/14/38/351751438.db2.gz YOCZKJGWUBWNIA-UHFFFAOYSA-N 0 0 210.126 2.059 10 0 BEAERN COc1ccc2nc(C(F)F)c(NN)cc2c1 ZINC000725268703 538101049 /nfs/dbraw/zinc/10/10/49/538101049.db2.gz ZHICHCPRSPQLFW-UHFFFAOYSA-N 0 0 239.225 2.467 10 0 BEAERN Cc1nc(C(=O)c2ccccn2)cs1 ZINC000307242426 351746809 /nfs/dbraw/zinc/74/68/09/351746809.db2.gz JIFWNYIWEXNGSK-UHFFFAOYSA-N 0 0 204.254 2.078 10 0 BEAERN Cn1cc(C(=O)Nc2ncc[nH]2)c2ccccc21 ZINC000104105478 180635087 /nfs/dbraw/zinc/63/50/87/180635087.db2.gz BPQBAIYATKZYQU-UHFFFAOYSA-N 0 0 240.266 2.154 10 0 BEAERN C[C@@H](CC(C)(C)O)Nc1cc(Cl)ncn1 ZINC000307254936 351787081 /nfs/dbraw/zinc/78/70/81/351787081.db2.gz YUWZCJUZTJOSAC-ZETCQYMHSA-N 0 0 229.711 2.091 10 0 BEAERN C[C@H]1C[C@@H]1c1n[nH]cc1Br ZINC000307251003 351770271 /nfs/dbraw/zinc/77/02/71/351770271.db2.gz NBQUSHGXOIROKT-WHFBIAKZSA-N 0 0 201.067 2.296 10 0 BEAERN C[C@@H]1CCCC[C@@H]1C(=O)c1ccn(C)n1 ZINC000307252231 351770409 /nfs/dbraw/zinc/77/04/09/351770409.db2.gz RSFXORWNKKSYAF-ZJUUUORDSA-N 0 0 206.289 2.429 10 0 BEAERN CC(C)(Br)C(=O)NC1CC(C)(C)C1 ZINC000307270296 351818664 /nfs/dbraw/zinc/81/86/64/351818664.db2.gz PIGFZAGAJLJWMA-UHFFFAOYSA-N 0 0 248.164 2.465 10 0 BEAERN FC(F)(F)c1cncnc1Br ZINC000307269369 351819492 /nfs/dbraw/zinc/81/94/92/351819492.db2.gz MZPKDZJKJNWHMO-UHFFFAOYSA-N 0 0 226.983 2.258 10 0 BEAERN Nc1nn(COC2CCCCC2)cc1Cl ZINC000308825387 538101390 /nfs/dbraw/zinc/10/13/90/538101390.db2.gz RXVICAGHIFEJSQ-UHFFFAOYSA-N 0 0 229.711 2.426 10 0 BEAERN Cn1cc(CNc2c(F)cccc2F)cn1 ZINC000034937922 180652718 /nfs/dbraw/zinc/65/27/18/180652718.db2.gz VZLXBHXYPSOZBN-UHFFFAOYSA-N 0 0 223.226 2.310 10 0 BEAERN Cn1c2cc(F)c(F)cc2[nH]c1=S ZINC000307284805 351849484 /nfs/dbraw/zinc/84/94/84/351849484.db2.gz LMUOWILZNOTGIY-UHFFFAOYSA-N 0 0 200.213 2.140 10 0 BEAERN Cn1cc(CNc2cccc(F)c2F)cn1 ZINC000040230188 180653096 /nfs/dbraw/zinc/65/30/96/180653096.db2.gz RNYYGAOFRPIEQX-UHFFFAOYSA-N 0 0 223.226 2.310 10 0 BEAERN O=C(c1cnsc1)C1CCSCC1 ZINC000404710527 351921127 /nfs/dbraw/zinc/92/11/27/351921127.db2.gz DCLGZFYVOYIBQV-UHFFFAOYSA-N 0 0 213.327 2.469 10 0 BEAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCC2(CCCC2)C1 ZINC000307300905 351925934 /nfs/dbraw/zinc/92/59/34/351925934.db2.gz SUSZWXSHBOZYHX-JTQLQIEISA-N 0 0 211.305 2.116 10 0 BEAERN ON[C@@H](c1ccccc1F)C(F)(F)F ZINC000307302814 351928784 /nfs/dbraw/zinc/92/87/84/351928784.db2.gz ZJONBCYTHDQPDJ-ZETCQYMHSA-N 0 0 209.142 2.408 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(-c3ncon3)no2)C1 ZINC000329634204 187538559 /nfs/dbraw/zinc/53/85/59/187538559.db2.gz XLKHKVRXFVZWSO-NKWVEPMBSA-N 0 0 220.232 2.023 10 0 BEAERN Nc1cc(N)c(OC(F)(F)F)c(Cl)c1 ZINC000307291508 351898943 /nfs/dbraw/zinc/89/89/43/351898943.db2.gz BIIJBXKKNCJMOI-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN Cn1cc(NC[C@H]2CC=CCC2)ccc1=O ZINC000037785954 180661041 /nfs/dbraw/zinc/66/10/41/180661041.db2.gz WYKWPZFLZWYSNM-NSHDSACASA-N 0 0 218.300 2.154 10 0 BEAERN Cc1ccc(C)c2c(C)cc(=NN)[nH]c12 ZINC000040175124 351995050 /nfs/dbraw/zinc/99/50/50/351995050.db2.gz WRXAXSSQNMKMGM-UHFFFAOYSA-N 0 0 201.273 2.446 10 0 BEAERN Cc1c(Cl)ccc([C@H](C)NN)c1F ZINC000307333095 352049396 /nfs/dbraw/zinc/04/93/96/352049396.db2.gz CPKPBSILYKBUOS-LURJTMIESA-N 0 0 202.660 2.312 10 0 BEAERN CC(F)(F)[C@H](NN)c1ccccc1Cl ZINC000307336071 352052845 /nfs/dbraw/zinc/05/28/45/352052845.db2.gz NNPDXWBJXYVKFO-MRVPVSSYSA-N 0 0 220.650 2.500 10 0 BEAERN Cc1cnn(C)c1C(=O)[C@@H]1CCC[C@@H]1C ZINC000307336443 352053659 /nfs/dbraw/zinc/05/36/59/352053659.db2.gz RZZIYLFFNBNFOG-WCBMZHEXSA-N 0 0 206.289 2.347 10 0 BEAERN CC(F)(F)CC(=O)Nc1cnc(Cl)cn1 ZINC000307343641 352090665 /nfs/dbraw/zinc/09/06/65/352090665.db2.gz JEKHIOZJTPUWBN-UHFFFAOYSA-N 0 0 235.621 2.114 10 0 BEAERN Cc1cc(-c2nn(C)cc2C(F)F)cc(N)n1 ZINC000725270497 538102160 /nfs/dbraw/zinc/10/21/60/538102160.db2.gz PGRBKBTYJZKQPL-UHFFFAOYSA-N 0 0 238.241 2.310 10 0 BEAERN Nc1nc([C@@H]2CCC(F)(F)C2)ns1 ZINC000300924824 363147129 /nfs/dbraw/zinc/14/71/29/363147129.db2.gz QFCLHPRICASKMP-SCSAIBSYSA-N 0 0 205.233 2.023 10 0 BEAERN CC(F)(F)[C@H](N)Cc1ccncc1Cl ZINC000300938030 363169653 /nfs/dbraw/zinc/16/96/53/363169653.db2.gz XJDCKDYTESYLHP-MRVPVSSYSA-N 0 0 220.650 2.260 10 0 BEAERN Nc1cc(Cl)cc(N)c1OC(F)(F)F ZINC000307353668 352298996 /nfs/dbraw/zinc/29/89/96/352298996.db2.gz OXAUKXIJFVKYEX-UHFFFAOYSA-N 0 0 226.585 2.403 10 0 BEAERN CCCCNC(=O)N[C@@H]1CCc2c1cccc2N ZINC000725270850 538102515 /nfs/dbraw/zinc/10/25/15/538102515.db2.gz FSULUMMOBYZLHN-CYBMUJFWSA-N 0 0 247.342 2.355 10 0 BEAERN CCOc1ccc(OC)c(OC)c1F ZINC000396129702 352413330 /nfs/dbraw/zinc/41/33/30/352413330.db2.gz ZVXSNNDYJBVXBB-UHFFFAOYSA-N 0 0 200.209 2.242 10 0 BEAERN N[C@@H](c1cscn1)c1sccc1F ZINC000307373579 352472045 /nfs/dbraw/zinc/47/20/45/352472045.db2.gz SJMMBMVAKDATHA-ZETCQYMHSA-N 0 0 214.290 2.392 10 0 BEAERN CN[C@@H](c1csc(C)n1)C1=CCCO1 ZINC000168380514 352480142 /nfs/dbraw/zinc/48/01/42/352480142.db2.gz WWUHJCGSDKNCNJ-JTQLQIEISA-N 0 0 210.302 2.016 10 0 BEAERN C[C@]1([C@@H](O)C(F)(F)F)CCCS1 ZINC000307409309 352585753 /nfs/dbraw/zinc/58/57/53/352585753.db2.gz FWEBQXMUDUGNQZ-PHDIDXHHSA-N 0 0 200.225 2.195 10 0 BEAERN O[C@@H](CN1CCC1)c1ccc(Cl)s1 ZINC000307420012 352590669 /nfs/dbraw/zinc/59/06/69/352590669.db2.gz QOHUNGRDASQIRG-ZETCQYMHSA-N 0 0 217.721 2.141 10 0 BEAERN COc1cc(C(F)(F)F)c(N)cc1F ZINC000307427528 352593309 /nfs/dbraw/zinc/59/33/09/352593309.db2.gz GYALVEZIAZHZRT-UHFFFAOYSA-N 0 0 209.142 2.435 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1nc(Cl)cs1 ZINC000307441404 352597155 /nfs/dbraw/zinc/59/71/55/352597155.db2.gz RUFZHWIPHDBCTJ-NTSWFWBYSA-N 0 0 218.709 2.122 10 0 BEAERN C[C@@]1([C@H]([NH3+])c2ccsn2)CCCCO1 ZINC000307450636 352601150 /nfs/dbraw/zinc/60/11/50/352601150.db2.gz OVOHYRVKLIASJN-ZJUUUORDSA-N 0 0 212.318 2.102 10 0 BEAERN C[C@@H]1SCCC[C@H]1Nc1cnns1 ZINC000232290899 352606418 /nfs/dbraw/zinc/60/64/18/352606418.db2.gz OFWZOOBDNIXDNQ-NKWVEPMBSA-N 0 0 215.347 2.234 10 0 BEAERN Cc1ncsc1[C@H](C)Nc1cnns1 ZINC000232290437 352606784 /nfs/dbraw/zinc/60/67/84/352606784.db2.gz KXYDBPOLLQQPRX-LURJTMIESA-N 0 0 226.330 2.476 10 0 BEAERN C[C@H]1C[C@H]1CN(C)C(=O)NCc1ccccc1 ZINC000232303358 352610148 /nfs/dbraw/zinc/61/01/48/352610148.db2.gz KFKASGIIPWWIRI-AAEUAGOBSA-N 0 0 232.327 2.484 10 0 BEAERN CC[C@@H]1CNC(=O)N(Cc2ccccc2)C(=O)C1 ZINC000232305465 352610957 /nfs/dbraw/zinc/61/09/57/352610957.db2.gz JJPRTJYDRVNZDT-NSHDSACASA-N 0 0 246.310 2.155 10 0 BEAERN COc1cc(C)cc(Br)n1 ZINC000098091102 187755200 /nfs/dbraw/zinc/75/52/00/187755200.db2.gz VLZKZEISEZUUAQ-UHFFFAOYSA-N 0 0 202.051 2.161 10 0 BEAERN CC(=O)Nc1nc(Cl)c(C)c(Cl)n1 ZINC000033825380 187755356 /nfs/dbraw/zinc/75/53/56/187755356.db2.gz GJYONWBFPOXMPC-UHFFFAOYSA-N 0 0 220.059 2.050 10 0 BEAERN CC[C@@H]1OCC[C@@H]1c1nnc(Br)o1 ZINC000300374184 352561459 /nfs/dbraw/zinc/56/14/59/352561459.db2.gz HRPCLLGLENCLHL-WDSKDSINSA-N 0 0 247.092 2.115 10 0 BEAERN O=[S@@](Nc1ccnc(Cl)n1)C1CCCC1 ZINC000307395300 352568892 /nfs/dbraw/zinc/56/88/92/352568892.db2.gz NHYXYMJYILCWBD-OAHLLOKOSA-N 0 0 245.735 2.148 10 0 BEAERN Cc1nc([C@H]2CCCCS2)ncc1N ZINC000300735024 352571278 /nfs/dbraw/zinc/57/12/78/352571278.db2.gz KOFOXEWCJHUKCS-SECBINFHSA-N 0 0 209.318 2.325 10 0 BEAERN COC(C)(C)[C@](C)(O)C(F)(F)Br ZINC000300763128 352573777 /nfs/dbraw/zinc/57/37/77/352573777.db2.gz NKGVHLUPZABLPL-LURJTMIESA-N 0 0 247.079 2.150 10 0 BEAERN Cc1cc(N)nn1CCc1cccs1 ZINC000300862084 352577363 /nfs/dbraw/zinc/57/73/63/352577363.db2.gz JCVZOICUQZQLCI-UHFFFAOYSA-N 0 0 207.302 2.078 10 0 BEAERN Nc1nsc([C@@H]2CCC(F)(F)C2)n1 ZINC000300981377 352582186 /nfs/dbraw/zinc/58/21/86/352582186.db2.gz KNWCWBGHAYGZBK-SCSAIBSYSA-N 0 0 205.233 2.023 10 0 BEAERN N[C@H](c1ccns1)c1sccc1F ZINC000307536005 352639824 /nfs/dbraw/zinc/63/98/24/352639824.db2.gz KNVYXJVMANSQKF-SSDOTTSWSA-N 0 0 214.290 2.392 10 0 BEAERN Brc1csc(N2CCC2)n1 ZINC000307548594 352646670 /nfs/dbraw/zinc/64/66/70/352646670.db2.gz VEPCYKHJGHEIRI-UHFFFAOYSA-N 0 0 219.107 2.116 10 0 BEAERN C[C@H]1C[C@@H]1c1n[nH]cc1I ZINC000307548979 352647381 /nfs/dbraw/zinc/64/73/81/352647381.db2.gz OWPCVFBHGOSMSS-WHFBIAKZSA-N 0 0 248.067 2.138 10 0 BEAERN O=C(N[C@H]1CC12CCCCC2)n1ccnc1 ZINC000307557205 352650048 /nfs/dbraw/zinc/65/00/48/352650048.db2.gz BEPQFBVYNKPETE-JTQLQIEISA-N 0 0 219.288 2.164 10 0 BEAERN CCN(C)c1ccc2scnc2c1N ZINC000035344610 187767036 /nfs/dbraw/zinc/76/70/36/187767036.db2.gz DFEIXHKKCQFQRX-UHFFFAOYSA-N 0 0 207.302 2.335 10 0 BEAERN CC1(C)CC[C@@]1(C(=O)[O-])[NH+]1CCCCC1 ZINC000307561662 352653579 /nfs/dbraw/zinc/65/35/79/352653579.db2.gz JNELDFLVNHJASA-LBPRGKRZSA-N 0 0 211.305 2.116 10 0 BEAERN Nc1cccc2[nH]c(-c3ccccn3)nc21 ZINC000082539311 187794193 /nfs/dbraw/zinc/79/41/93/187794193.db2.gz UTNGKQGHLRPJJL-UHFFFAOYSA-N 0 0 210.240 2.207 10 0 BEAERN COc1ccc(CNc2cn[nH]c2)cc1C ZINC000037260924 187769027 /nfs/dbraw/zinc/76/90/27/187769027.db2.gz SKKVXXLOYMVMRP-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN C[C@H](CO)CNc1nc(Cl)ccc1Cl ZINC000307485965 352620817 /nfs/dbraw/zinc/62/08/17/352620817.db2.gz IVOWJTSAUNDQLS-LURJTMIESA-N 0 0 235.114 2.429 10 0 BEAERN Nc1c(Br)cccc1N1CCC1 ZINC000307491765 352624008 /nfs/dbraw/zinc/62/40/08/352624008.db2.gz GRTVEXMGKWRCJO-UHFFFAOYSA-N 0 0 227.105 2.241 10 0 BEAERN C[C@@H](CO)Nc1ccc(Cl)c(F)c1 ZINC000307495479 352625322 /nfs/dbraw/zinc/62/53/22/352625322.db2.gz RLCKOPVEXGQPDN-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN CCOC(=O)c1cnc(F)cc1Br ZINC000307517959 352632802 /nfs/dbraw/zinc/63/28/02/352632802.db2.gz UOZKPQUPIWTVSP-UHFFFAOYSA-N 0 0 248.051 2.160 10 0 BEAERN Cc1cc(-c2ccc(N)nc2C)sn1 ZINC000307529799 352635852 /nfs/dbraw/zinc/63/58/52/352635852.db2.gz PGGDEEPUULNKAF-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN Brc1ncc(-c2cccnc2)cn1 ZINC000072192086 187788084 /nfs/dbraw/zinc/78/80/84/187788084.db2.gz LJERBIDWYBGAJU-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN CC(=O)n1cc(Cl)c2cnc(Cl)nc21 ZINC000095642536 187799884 /nfs/dbraw/zinc/79/98/84/187799884.db2.gz FAXITDWJBKYXCO-UHFFFAOYSA-N 0 0 230.054 2.398 10 0 BEAERN Cc1nc(N)sc1C(=O)c1ccccc1 ZINC000096300725 187801297 /nfs/dbraw/zinc/80/12/97/187801297.db2.gz HIAPNRGNWJUYKT-UHFFFAOYSA-N 0 0 218.281 2.265 10 0 BEAERN Brc1cnn2c1NC[C@H]1CCC[C@@H]12 ZINC000232457955 352678396 /nfs/dbraw/zinc/67/83/96/352678396.db2.gz QZKQHTKWRGWHQG-SVRRBLITSA-N 0 0 242.120 2.412 10 0 BEAERN CN(C)c1ccc(Br)c(N)c1 ZINC000032013036 352735483 /nfs/dbraw/zinc/73/54/83/352735483.db2.gz XZSNSKNPJUQZIC-UHFFFAOYSA-N 0 0 215.094 2.097 10 0 BEAERN COc1ccc(Cl)cc1NC[C@@H](C)O ZINC000032013091 352735515 /nfs/dbraw/zinc/73/55/15/352735515.db2.gz GVEPSSUWWOIKHI-SSDOTTSWSA-N 0 0 215.680 2.141 10 0 BEAERN Cc1nc(N)nc(-c2ccc(Cl)s2)n1 ZINC000082540583 187829111 /nfs/dbraw/zinc/82/91/11/187829111.db2.gz BVEINAZODRWURP-UHFFFAOYSA-N 0 0 226.692 2.144 10 0 BEAERN C/C=C/COc1nc(F)c(F)cc1F ZINC000232476637 352739605 /nfs/dbraw/zinc/73/96/05/352739605.db2.gz KDBJLPWAVPEXNL-NSCUHMNNSA-N 0 0 203.163 2.454 10 0 BEAERN CC(=O)c1ccc(SCCCO)cc1 ZINC000058018321 187831541 /nfs/dbraw/zinc/83/15/41/187831541.db2.gz WDBAYNMCCRGUKN-UHFFFAOYSA-N 0 0 210.298 2.364 10 0 BEAERN C[C@@H](O)CNc1ccccc1Br ZINC000032015864 352740501 /nfs/dbraw/zinc/74/05/01/352740501.db2.gz VXBRHERXMMKBDE-SSDOTTSWSA-N 0 0 230.105 2.242 10 0 BEAERN CC(C)[C@@H]1CCCN1C(=O)NC1CCC1 ZINC000122867733 187836901 /nfs/dbraw/zinc/83/69/01/187836901.db2.gz PAQMOFIVUBFUEH-NSHDSACASA-N 0 0 210.321 2.369 10 0 BEAERN Cn1cnnc1CNc1ccc(Cl)cc1 ZINC000054497407 180794580 /nfs/dbraw/zinc/79/45/80/180794580.db2.gz OFNPAZIIJJDLPO-UHFFFAOYSA-N 0 0 222.679 2.081 10 0 BEAERN C1C[C@@H](N2CCO[C@@H](C3CCCCC3)C2)CO1 ZINC000334232825 352850875 /nfs/dbraw/zinc/85/08/75/352850875.db2.gz NNLQBTQVMNFOGX-ZIAGYGMSSA-N 0 0 239.359 2.056 10 0 BEAERN Cc1cc([C@@]2(O)CCOC2(C)C)cs1 ZINC000307685349 352837460 /nfs/dbraw/zinc/83/74/60/352837460.db2.gz YLULNHCMNPVGDW-NSHDSACASA-N 0 0 212.314 2.443 10 0 BEAERN Cc1nc(C)c(F)c(N2CCS[C@H](C)C2)n1 ZINC000334250027 352843556 /nfs/dbraw/zinc/84/35/56/352843556.db2.gz ZSKAGSMMUBBAEU-SSDOTTSWSA-N 0 0 241.335 2.174 10 0 BEAERN C[C@@H]1CSC[C@H]1Nc1nsnc1Cl ZINC000307686776 352918785 /nfs/dbraw/zinc/91/87/85/352918785.db2.gz BTXLABFWCZNUAX-RFZPGFLSSA-N 0 0 235.765 2.355 10 0 BEAERN C[C@@H]1CSC[C@@H]1Nc1nsnc1Cl ZINC000307686778 352918946 /nfs/dbraw/zinc/91/89/46/352918946.db2.gz BTXLABFWCZNUAX-UHNVWZDZSA-N 0 0 235.765 2.355 10 0 BEAERN CC(C)(C)[C@H](NN)c1ccoc1Cl ZINC000232505206 352933206 /nfs/dbraw/zinc/93/32/06/352933206.db2.gz CLRIHZKCKLVWLL-SSDOTTSWSA-N 0 0 202.685 2.484 10 0 BEAERN Cc1cc(N2CCC[C@@H]2C)nc(Cl)n1 ZINC000052814451 352983273 /nfs/dbraw/zinc/98/32/73/352983273.db2.gz ABHKHOCXQBSUAO-QMMMGPOBSA-N 0 0 211.696 2.427 10 0 BEAERN Cc1cc(N2CC[C@H](C)C2)nc(Cl)n1 ZINC000052814469 352983280 /nfs/dbraw/zinc/98/32/80/352983280.db2.gz RYLLDISFNZPEMD-ZETCQYMHSA-N 0 0 211.696 2.285 10 0 BEAERN CCn1nccc1-c1cncc(C(C)=O)c1 ZINC000623168238 352952168 /nfs/dbraw/zinc/95/21/68/352952168.db2.gz JEEDADMAMKEVQQ-UHFFFAOYSA-N 0 0 215.256 2.168 10 0 BEAERN CON(C)c1cccc(Br)c1N ZINC000306434008 353014603 /nfs/dbraw/zinc/01/46/03/353014603.db2.gz YQIUGRAASFQJGQ-UHFFFAOYSA-N 0 0 231.093 2.029 10 0 BEAERN CCc1noc(C[C@@H]2CC2(Cl)Cl)n1 ZINC000306490753 353019750 /nfs/dbraw/zinc/01/97/50/353019750.db2.gz NNYUHEKNFNPGBB-RXMQYKEDSA-N 0 0 221.087 2.368 10 0 BEAERN Cc1nnc(Cl)n1[C@H]1CSC1(C)C ZINC000306650779 353032128 /nfs/dbraw/zinc/03/21/28/353032128.db2.gz HQBOZIMRTDKTRY-LURJTMIESA-N 0 0 217.725 2.306 10 0 BEAERN Cn1ncc2c1C[C@H](c1ccccc1)C[C@@H]2O ZINC000072415827 180827108 /nfs/dbraw/zinc/82/71/08/180827108.db2.gz SFYKMSYDJWVWTH-FZMZJTMJSA-N 0 0 228.295 2.184 10 0 BEAERN CC(C)(C)C(C)(C)NC(=S)NC1CC1 ZINC000306330381 353005271 /nfs/dbraw/zinc/00/52/71/353005271.db2.gz BPPYEHJTFZSZQK-UHFFFAOYSA-N 0 0 214.378 2.438 10 0 BEAERN CNC(=S)N1CCCCC(C)(C)C1 ZINC000307702439 353012627 /nfs/dbraw/zinc/01/26/27/353012627.db2.gz PIGZFSIYTFWWOR-UHFFFAOYSA-N 0 0 200.351 2.003 10 0 BEAERN CCn1cnc(C(=O)c2sccc2F)c1 ZINC000307705006 353053460 /nfs/dbraw/zinc/05/34/60/353053460.db2.gz UPQNHPAPSLXQCU-UHFFFAOYSA-N 0 0 224.260 2.335 10 0 BEAERN CC1(C)OC[C@H](CCC(F)(F)F)[C@@H]1O ZINC000307134173 353056672 /nfs/dbraw/zinc/05/66/72/353056672.db2.gz ZZFAFZGPYORFQN-BQBZGAKWSA-N 0 0 212.211 2.115 10 0 BEAERN N#CNc1ccc(Br)cc1F ZINC000052832096 353108065 /nfs/dbraw/zinc/10/80/65/353108065.db2.gz NPZPMQABZFIFOO-UHFFFAOYSA-N 0 0 215.025 2.481 10 0 BEAERN COCCn1ccc2cccc(C=O)c21 ZINC000117899097 353113846 /nfs/dbraw/zinc/11/38/46/353113846.db2.gz ZREWJPOGHIEZLD-UHFFFAOYSA-N 0 0 203.241 2.100 10 0 BEAERN CCN(CCC(N)=S)c1nc2ccccc2o1 ZINC000042453137 169820206 /nfs/dbraw/zinc/82/02/06/169820206.db2.gz UBGLTLQJIHVALV-UHFFFAOYSA-N 0 0 249.339 2.330 10 0 BEAERN Cc1cc(-c2cc(C)c(N)cn2)sn1 ZINC000307705875 353095003 /nfs/dbraw/zinc/09/50/03/353095003.db2.gz ZEVRMYXWDQFOSQ-UHFFFAOYSA-N 0 0 205.286 2.404 10 0 BEAERN ONc1ncc(Cl)cc1Br ZINC000307741213 353099242 /nfs/dbraw/zinc/09/92/42/353099242.db2.gz IMUDFNOUOYPIFD-UHFFFAOYSA-N 0 0 223.457 2.299 10 0 BEAERN CC(C)(O)C(=O)Cc1cccc(F)c1Cl ZINC000232555371 353127858 /nfs/dbraw/zinc/12/78/58/353127858.db2.gz QTXYRGIREXVQFK-UHFFFAOYSA-N 0 0 230.666 2.362 10 0 BEAERN CCOc1cccc(Cl)c1C(N)=S ZINC000052908235 353132120 /nfs/dbraw/zinc/13/21/20/353132120.db2.gz SSGOWNMVWVVTRA-UHFFFAOYSA-N 0 0 215.705 2.373 10 0 BEAERN Cc1nc(C2CSC2)nc(Cl)c1F ZINC000405159859 353134462 /nfs/dbraw/zinc/13/44/62/353134462.db2.gz WOIVGFBPSSQZCD-UHFFFAOYSA-N 0 0 218.684 2.408 10 0 BEAERN CC(=O)[C@@H]1C[C@@H]1c1ncc(Cl)s1 ZINC000223111799 353137512 /nfs/dbraw/zinc/13/75/12/353137512.db2.gz BMLJCMSWKPNHIW-WDSKDSINSA-N 0 0 201.678 2.489 10 0 BEAERN O=C(Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000052944844 353137759 /nfs/dbraw/zinc/13/77/59/353137759.db2.gz IXZPXFNJFAEWRN-SNVBAGLBSA-N 0 0 224.687 2.488 10 0 BEAERN CC(=O)[C@H]1C[C@@H]1c1ncc(Cl)s1 ZINC000223111860 353137783 /nfs/dbraw/zinc/13/77/83/353137783.db2.gz BMLJCMSWKPNHIW-RITPCOANSA-N 0 0 201.678 2.489 10 0 BEAERN CC(=O)[C@@H]1C[C@H]1c1ncc(Cl)s1 ZINC000223111920 353137863 /nfs/dbraw/zinc/13/78/63/353137863.db2.gz BMLJCMSWKPNHIW-NTSWFWBYSA-N 0 0 201.678 2.489 10 0 BEAERN CCCCCNC(=O)C(=O)c1ccc(F)cc1 ZINC000049828579 168703263 /nfs/dbraw/zinc/70/32/63/168703263.db2.gz ALJFGECJLHQOAW-UHFFFAOYSA-N 0 0 237.274 2.315 10 0 BEAERN C[C@@H]1OCC[C@@H]1Sc1ccnc(Cl)n1 ZINC000229329674 353121337 /nfs/dbraw/zinc/12/13/37/353121337.db2.gz OYWWWRXLWXAWAW-BQBZGAKWSA-N 0 0 230.720 2.400 10 0 BEAERN C[C@H](CO)Nc1c(F)cccc1Cl ZINC000307734876 353121741 /nfs/dbraw/zinc/12/17/41/353121741.db2.gz PONWLJPJNJLHFV-ZCFIWIBFSA-N 0 0 203.644 2.272 10 0 BEAERN Nc1c(Cl)cc(Br)cc1C=O ZINC000122571729 353142604 /nfs/dbraw/zinc/14/26/04/353142604.db2.gz VONGUIQNVNWCQK-UHFFFAOYSA-N 0 0 234.480 2.497 10 0 BEAERN CC1(C)COc2cc(-c3cnc(N)nc3)ccc21 ZINC000623169807 353142639 /nfs/dbraw/zinc/14/26/39/353142639.db2.gz OEMVSIMYJKNDAH-UHFFFAOYSA-N 0 0 241.294 2.226 10 0 BEAERN Cc1nc(C2CSC2)[nH]c(=S)c1C ZINC000405195405 353142802 /nfs/dbraw/zinc/14/28/02/353142802.db2.gz NCIAVIKRVTVGFE-UHFFFAOYSA-N 0 0 212.343 2.213 10 0 BEAERN O=c1c(Cl)nccn1Cc1ccc(F)cc1 ZINC000165079640 353148983 /nfs/dbraw/zinc/14/89/83/353148983.db2.gz DXTFDMBGSFFDPK-UHFFFAOYSA-N 0 0 238.649 2.084 10 0 BEAERN CCn1nc(C)cc1-c1cncc(C(C)=O)c1 ZINC000623170013 353152553 /nfs/dbraw/zinc/15/25/53/353152553.db2.gz WXGUJHGGZPYWAU-UHFFFAOYSA-N 0 0 229.283 2.476 10 0 BEAERN Cc1nccc(CNCc2ccc(F)cc2)n1 ZINC000037997692 188083144 /nfs/dbraw/zinc/08/31/44/188083144.db2.gz YQMPUCQJGNQIGW-UHFFFAOYSA-N 0 0 231.274 2.214 10 0 BEAERN Cc1cccc(CNc2nc(C)cc(C)n2)n1 ZINC000048346510 353156931 /nfs/dbraw/zinc/15/69/31/353156931.db2.gz VOEZOVKNQYRPME-UHFFFAOYSA-N 0 0 228.299 2.409 10 0 BEAERN C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccco1 ZINC000048381248 353156932 /nfs/dbraw/zinc/15/69/32/353156932.db2.gz GOXMWQRBJQPZEM-ZCFIWIBFSA-N 0 0 239.662 2.189 10 0 BEAERN CCOC(=O)/C=C/C(=O)Nc1cccc(C)c1C ZINC000012403292 188105424 /nfs/dbraw/zinc/10/54/24/188105424.db2.gz RAJHNAWOGCNTFA-CMDGGOBGSA-N 0 0 247.294 2.361 10 0 BEAERN Cc1oncc1C(=O)Nc1ccc(F)cc1 ZINC000004667763 188096518 /nfs/dbraw/zinc/09/65/18/188096518.db2.gz HVTVCLGVPVGJPT-UHFFFAOYSA-N 0 0 220.203 2.374 10 0 BEAERN Cn1nc(-c2ccc(F)cc2Cl)cc1N ZINC000036938194 188104665 /nfs/dbraw/zinc/10/46/65/188104665.db2.gz WDXWRSCYPRTLHG-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN COC(C)(C)c1noc([C@@H]2CCCC(=O)N2)n1 ZINC000329549012 538109190 /nfs/dbraw/zinc/10/91/90/538109190.db2.gz CITPZUSRBIVGAO-ZETCQYMHSA-N 0 0 239.275 2.133 10 0 BEAERN Cc1ncc(CNCC(F)(F)F)s1 ZINC000037505501 188107354 /nfs/dbraw/zinc/10/73/54/188107354.db2.gz BDSWJPLNKQLXFS-UHFFFAOYSA-N 0 0 210.224 2.103 10 0 BEAERN CC(C)N(CCCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000038099634 188109508 /nfs/dbraw/zinc/10/95/08/188109508.db2.gz KANJMTYKNVMYIM-YNEHKIRRSA-N 0 0 239.359 2.042 10 0 BEAERN CCC1C(C)=NC(=O)N[C@@H]1c1ccccn1 ZINC000039101979 188110115 /nfs/dbraw/zinc/11/01/15/188110115.db2.gz MBYIWISHAVXXIE-NSHDSACASA-N 0 0 217.272 2.120 10 0 BEAERN CC(C)N(Cc1ccccc1N)C(=O)C1CC1 ZINC000035365715 188111275 /nfs/dbraw/zinc/11/12/75/188111275.db2.gz FGKBGMNBWOPNTP-UHFFFAOYSA-N 0 0 232.327 2.416 10 0 BEAERN CC(C)Cn1cnc2c[n+]([O-])c3ccccc3c21 ZINC000036468064 188112088 /nfs/dbraw/zinc/11/20/88/188112088.db2.gz RBKTVDLDAPUNMV-UHFFFAOYSA-N 0 0 241.294 2.479 10 0 BEAERN CC(C)(C)c1nc([C@H](N)c2ccsc2)no1 ZINC000036764651 188112501 /nfs/dbraw/zinc/11/25/01/188112501.db2.gz CRFHOCTUYGIBJI-MRVPVSSYSA-N 0 0 237.328 2.477 10 0 BEAERN OCc1ccccc1NCc1ccccn1 ZINC000037133759 188113383 /nfs/dbraw/zinc/11/33/83/188113383.db2.gz GSGNZVMARQGPNW-UHFFFAOYSA-N 0 0 214.268 2.186 10 0 BEAERN CC(=O)CC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000037839226 188114663 /nfs/dbraw/zinc/11/46/63/188114663.db2.gz RHPVDKVQLQLRMU-CQSZACIVSA-N 0 0 245.322 2.199 10 0 BEAERN Cn1ncc(Cl)c1C(=O)c1ccccc1F ZINC000075872337 188115584 /nfs/dbraw/zinc/11/55/84/188115584.db2.gz VSAXZRNMKTZOHH-UHFFFAOYSA-N 0 0 238.649 2.444 10 0 BEAERN COC(CC(=O)c1ccc(C)s1)OC ZINC000121985584 538110270 /nfs/dbraw/zinc/11/02/70/538110270.db2.gz NUEDTFCTZPPYPC-UHFFFAOYSA-N 0 0 214.286 2.248 10 0 BEAERN COC(CC(=O)c1ccc(F)cc1)OC ZINC000121982925 538110271 /nfs/dbraw/zinc/11/02/71/538110271.db2.gz JPINQSOZMGMRJV-UHFFFAOYSA-N 0 0 212.220 2.017 10 0 BEAERN COCCn1cnc2ccc(Cl)cc21 ZINC000040404586 188117721 /nfs/dbraw/zinc/11/77/21/188117721.db2.gz ASNBFTZWSQWDRS-UHFFFAOYSA-N 0 0 210.664 2.336 10 0 BEAERN COC(OC)[C@H]1C[C@H](C(C)C)CCC1=O ZINC000122003657 538110379 /nfs/dbraw/zinc/11/03/79/538110379.db2.gz RSMLVERVKDMZOW-ZJUUUORDSA-N 0 0 214.305 2.247 10 0 BEAERN CC(C)(C)c1nc([C@H](N)c2cccs2)no1 ZINC000041673008 188119791 /nfs/dbraw/zinc/11/97/91/188119791.db2.gz QTHUDGKAYRDQSL-MRVPVSSYSA-N 0 0 237.328 2.477 10 0 BEAERN Cc1c(CO)cnn1-c1ccccc1Cl ZINC000082660907 188121965 /nfs/dbraw/zinc/12/19/65/188121965.db2.gz RJZFNAIXTLIICX-UHFFFAOYSA-N 0 0 222.675 2.326 10 0 BEAERN O=Cc1cccc2c(Br)[nH]nc21 ZINC000089196114 188144755 /nfs/dbraw/zinc/14/47/55/188144755.db2.gz IVORXLSWLQZGJE-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN O=C([O-])C1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095077887 188145050 /nfs/dbraw/zinc/14/50/50/188145050.db2.gz BTCMBBGQMGJVNK-UHFFFAOYSA-N 0 0 245.322 2.373 10 0 BEAERN COCc1cc(=S)n(-c2ccccc2F)[nH]1 ZINC000052305038 188126114 /nfs/dbraw/zinc/12/61/14/188126114.db2.gz ZUSILPPGGWTYAH-UHFFFAOYSA-N 0 0 238.287 2.447 10 0 BEAERN CC(C)Nc1ccccc1C(=O)NC1CC1 ZINC000058798939 323996064 /nfs/dbraw/zinc/99/60/64/323996064.db2.gz LJXICWKPCGRXTR-UHFFFAOYSA-N 0 0 218.300 2.399 10 0 BEAERN CNc1ncccc1CSc1cnn(C)c1 ZINC000052756599 188126455 /nfs/dbraw/zinc/12/64/55/188126455.db2.gz ZGGIAOPNOGUTTN-UHFFFAOYSA-N 0 0 234.328 2.149 10 0 BEAERN CC(C)Cn1cnnc1-c1cccc(N)c1 ZINC000054526242 188126768 /nfs/dbraw/zinc/12/67/68/188126768.db2.gz GIFVMHKBMXIQCE-UHFFFAOYSA-N 0 0 216.288 2.183 10 0 BEAERN CCN(c1cc(Cl)nc(C)n1)C1CC1 ZINC000052836026 353218723 /nfs/dbraw/zinc/21/87/23/353218723.db2.gz XDSATPAJFJLKJF-UHFFFAOYSA-N 0 0 211.696 2.427 10 0 BEAERN Cc1ccc(N)c(C)c1N1C(=O)CC(C)CC1=O ZINC000061828469 188128368 /nfs/dbraw/zinc/12/83/68/188128368.db2.gz SETFXFOWBNBTIF-UHFFFAOYSA-N 0 0 246.310 2.175 10 0 BEAERN C[C@H]1C[C@H]1Nc1ncc(Br)cn1 ZINC000067120314 188129838 /nfs/dbraw/zinc/12/98/38/188129838.db2.gz IGHJRJTZQOVJFU-CAHLUQPWSA-N 0 0 228.093 2.059 10 0 BEAERN CCCC(O)=C1C(=O)C(C)(C)OC1(C)C ZINC000122141945 538110695 /nfs/dbraw/zinc/11/06/95/538110695.db2.gz GEVIEQUUBAWHES-VIFPVBQESA-N 0 0 212.289 2.128 10 0 BEAERN CC(C)(C)OC(=O)N1CCC[C@@H]2CC(=O)C[C@H]21 ZINC000076684808 188134984 /nfs/dbraw/zinc/13/49/84/188134984.db2.gz VNMVECQDXBPHAN-MWLCHTKSSA-N 0 0 239.315 2.365 10 0 BEAERN CSc1ccc(C2N=NC(=S)N2)cc1 ZINC000077336097 188135152 /nfs/dbraw/zinc/13/51/52/188135152.db2.gz WOHACGYQZCOMSL-UHFFFAOYSA-N 0 0 223.326 2.482 10 0 BEAERN CC(C)[C@H](C)NC(=O)N[C@@H]1CC=CCC1 ZINC000077541393 188136561 /nfs/dbraw/zinc/13/65/61/188136561.db2.gz JGFLAFPQASSILM-WDEREUQCSA-N 0 0 210.321 2.439 10 0 BEAERN Fc1nccnc1C(F)(F)C(F)(F)F ZINC000091252217 188143879 /nfs/dbraw/zinc/14/38/79/188143879.db2.gz JRKPRMOYNBAKGV-UHFFFAOYSA-N 0 0 216.084 2.270 10 0 BEAERN CC(C)N(CCO)c1ccc(Cl)cc1N ZINC000042478881 188151357 /nfs/dbraw/zinc/15/13/57/188151357.db2.gz GQTHRWOLFXJAJH-UHFFFAOYSA-N 0 0 228.723 2.129 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C3)cc1N ZINC000049715766 188153631 /nfs/dbraw/zinc/15/36/31/188153631.db2.gz CAFOBWCQDHILIQ-CMPLNLGQSA-N 0 0 230.311 2.202 10 0 BEAERN CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000114293217 188153847 /nfs/dbraw/zinc/15/38/47/188153847.db2.gz NJOJQRXLHVWJSA-JTQLQIEISA-N 0 0 231.217 2.296 10 0 BEAERN CCOc1cn(-c2ccccc2)nc1C(=O)OC ZINC000103223219 188159091 /nfs/dbraw/zinc/15/90/91/188159091.db2.gz NBAHAKNYRJHMGI-UHFFFAOYSA-N 0 0 246.266 2.058 10 0 BEAERN Cc1cscc1C(=O)N1CCC[C@H](O)[C@H]1C ZINC000334622727 188161516 /nfs/dbraw/zinc/16/15/16/188161516.db2.gz NPFXOWJPGBZMAO-KOLCDFICSA-N 0 0 239.340 2.042 10 0 BEAERN Cc1ccc(OCC(=O)N[C@@H]2C[C@@H]2C)cc1C ZINC000171068468 188162678 /nfs/dbraw/zinc/16/26/78/188162678.db2.gz AZLLEYMHNQKYMP-WCQYABFASA-N 0 0 233.311 2.207 10 0 BEAERN CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000171654459 188162809 /nfs/dbraw/zinc/16/28/09/188162809.db2.gz JSDYLHUCGXIPNP-SECBINFHSA-N 0 0 210.302 2.217 10 0 BEAERN CCOC(=O)/C=C/CSc1ccc(N)cc1 ZINC000016972064 188170534 /nfs/dbraw/zinc/17/05/34/188170534.db2.gz PWDZKPJKHWOBEB-ONEGZZNKSA-N 0 0 237.324 2.480 10 0 BEAERN CC(C)[C@H](C)Nc1ccc(C(N)=O)cc1 ZINC000019911489 188174442 /nfs/dbraw/zinc/17/44/42/188174442.db2.gz ORIRXJNFYLJLHS-VIFPVBQESA-N 0 0 206.289 2.242 10 0 BEAERN OC[C@H]1COc2cc(C(F)(F)F)ccc2C1 ZINC000097757614 188148553 /nfs/dbraw/zinc/14/85/53/188148553.db2.gz VIRPRDCKRGJJQE-ZETCQYMHSA-N 0 0 232.201 2.249 10 0 BEAERN CC(C)[C@H](C)NC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000134355651 538111955 /nfs/dbraw/zinc/11/19/55/538111955.db2.gz DREGKUTYUBDUCQ-JBLDHEPKSA-N 0 0 225.332 2.152 10 0 BEAERN CC(=O)Nc1c(C)nccc1Br ZINC000098179252 188149750 /nfs/dbraw/zinc/14/97/50/188149750.db2.gz SQHSKCJVNFPJHC-UHFFFAOYSA-N 0 0 229.077 2.111 10 0 BEAERN Cc1cscc1C(=O)N1CC(=O)CC1(C)C ZINC000335284502 188180224 /nfs/dbraw/zinc/18/02/24/188180224.db2.gz JPQAORAYNMOEMA-UHFFFAOYSA-N 0 0 237.324 2.250 10 0 BEAERN C[C@H]1CCN[C@@H](c2cscn2)S1 ZINC000126795718 353255061 /nfs/dbraw/zinc/25/50/61/353255061.db2.gz CYAZAFRNWPBAMQ-POYBYMJQSA-N 0 0 200.332 2.257 10 0 BEAERN CC(C)[C@]1(C)Nc2ccccc2C(=O)N1 ZINC000062716760 188185216 /nfs/dbraw/zinc/18/52/16/188185216.db2.gz OWRRDLOCDGAIEQ-GFCCVEGCSA-N 0 0 204.273 2.214 10 0 BEAERN C[C@@]1(Nc2ccc(Cl)cn2)CCOC1 ZINC000229478508 353270252 /nfs/dbraw/zinc/27/02/52/353270252.db2.gz XBOSLEXVWDSPDM-SNVBAGLBSA-N 0 0 212.680 2.326 10 0 BEAERN Cn1nc([C@@H]2CCCCS2)[nH]c1=S ZINC000127755272 353272155 /nfs/dbraw/zinc/27/21/55/353272155.db2.gz HJJBMTCQOMKQPM-LURJTMIESA-N 0 0 215.347 2.062 10 0 BEAERN CNC(=O)Nc1c(F)ccc(C)c1F ZINC000127656448 353274641 /nfs/dbraw/zinc/27/46/41/353274641.db2.gz GJHUUBWFLRXTGW-UHFFFAOYSA-N 0 0 200.188 2.025 10 0 BEAERN Cc1ccc(Br)c([C@@H](C)NN)c1 ZINC000127222384 353265382 /nfs/dbraw/zinc/26/53/82/353265382.db2.gz QGUYKDLPRUVFAV-SSDOTTSWSA-N 0 0 229.121 2.282 10 0 BEAERN C[C@H]1OCC[C@@]1(CO)Cc1ccsc1 ZINC000127327998 353266202 /nfs/dbraw/zinc/26/62/02/353266202.db2.gz XKGPFKYNZZVZMI-KOLCDFICSA-N 0 0 212.314 2.078 10 0 BEAERN NC(=S)c1ccc2ccc(F)cc2n1 ZINC000062569496 188223918 /nfs/dbraw/zinc/22/39/18/188223918.db2.gz DFGAIXSMFZGUHD-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN CC1(C)C[C@H]1NC(=O)NCc1cnc(C2CC2)o1 ZINC000333836257 188228432 /nfs/dbraw/zinc/22/84/32/188228432.db2.gz MJKHPNIQGXSHNP-SNVBAGLBSA-N 0 0 249.314 2.150 10 0 BEAERN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)Br)C1 ZINC000128624882 353302900 /nfs/dbraw/zinc/30/29/00/353302900.db2.gz DLZDCXSPFKZECF-HTQZYQBOSA-N 0 0 248.164 2.465 10 0 BEAERN O=C(N[C@H]1CCc2ccccc21)N1CC[C@H](F)C1 ZINC000334500703 353328233 /nfs/dbraw/zinc/32/82/33/353328233.db2.gz FECNDGMBIGAUIF-AAEUAGOBSA-N 0 0 248.301 2.427 10 0 BEAERN C[C@H](CC(F)(F)F)Nc1ccnn1C ZINC000131419484 353368251 /nfs/dbraw/zinc/36/82/51/353368251.db2.gz JYOIOKKXGYFORM-ZCFIWIBFSA-N 0 0 207.199 2.173 10 0 BEAERN Cc1cc([C@@H](O)[C@@H](O)C(C)C)cs1 ZINC000232761826 353385642 /nfs/dbraw/zinc/38/56/42/353385642.db2.gz ZUNILRCXBNOUBG-VHSXEESVSA-N 0 0 200.303 2.107 10 0 BEAERN OCc1ccc(Cl)cc1OC(F)F ZINC000223244296 353401465 /nfs/dbraw/zinc/40/14/65/353401465.db2.gz ONZYDVFLENIGIW-UHFFFAOYSA-N 0 0 208.591 2.434 10 0 BEAERN CC(=O)CC(=O)Nc1cccc(C)c1F ZINC000300966476 363229221 /nfs/dbraw/zinc/22/92/21/363229221.db2.gz OSAFFLZCUNSAAJ-UHFFFAOYSA-N 0 0 209.220 2.052 10 0 BEAERN Cc1cccc(C(=O)Nc2ccccc2N)n1 ZINC000022209756 188430089 /nfs/dbraw/zinc/43/00/89/188430089.db2.gz MREBZPFOBJEDRN-UHFFFAOYSA-N 0 0 227.267 2.225 10 0 BEAERN Cc1ccc(/C=C/CC(=O)N[C@H](C)CCO)cc1 ZINC000121537907 188430785 /nfs/dbraw/zinc/43/07/85/188430785.db2.gz MORAFBUEXIEJOU-ITDFMYJTSA-N 0 0 247.338 2.285 10 0 BEAERN CC1(C)C[C@H]1c1nc(Br)no1 ZINC000232821977 353625232 /nfs/dbraw/zinc/62/52/32/353625232.db2.gz ZFEFPWTUAJVOLX-BYPYZUCNSA-N 0 0 217.066 2.346 10 0 BEAERN CC(=O)Nc1ccc(NC[C@H]2CCCO2)cc1 ZINC000020037927 188463002 /nfs/dbraw/zinc/46/30/02/188463002.db2.gz IVIWUVJLRGHUQY-CYBMUJFWSA-N 0 0 234.299 2.236 10 0 BEAERN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000005355235 188450851 /nfs/dbraw/zinc/45/08/51/188450851.db2.gz VYTBNPDBBXETGQ-RAIGVLPGSA-N 0 0 241.290 2.388 10 0 BEAERN CC(=O)Nc1sc(Cl)cc1C=O ZINC000090668942 188451434 /nfs/dbraw/zinc/45/14/34/188451434.db2.gz CIURMBQNGJVHMW-UHFFFAOYSA-N 0 0 203.650 2.172 10 0 BEAERN CC(C)(C)n1c(N)cc2ccccc2c1=O ZINC000036946510 188467984 /nfs/dbraw/zinc/46/79/84/188467984.db2.gz JNUCKSUOSLGNDE-UHFFFAOYSA-N 0 0 216.284 2.339 10 0 BEAERN CC(C)(C)c1csc2ncc(CO)n12 ZINC000036255105 188468064 /nfs/dbraw/zinc/46/80/64/188468064.db2.gz PMCJVPYHNWILLL-UHFFFAOYSA-N 0 0 210.302 2.186 10 0 BEAERN CC[C@@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000194871471 353702297 /nfs/dbraw/zinc/70/22/97/353702297.db2.gz UADUCRMAAADTAY-KOLCDFICSA-N 0 0 219.284 2.282 10 0 BEAERN C[C@@H]1SCCC[C@@H]1Nc1cnns1 ZINC000232290895 353706255 /nfs/dbraw/zinc/70/62/55/353706255.db2.gz OFWZOOBDNIXDNQ-BQBZGAKWSA-N 0 0 215.347 2.234 10 0 BEAERN C[C@H](C(=O)OC(C)(C)C)N(C)CC1(C)CC1 ZINC000577928973 366104527 /nfs/dbraw/zinc/10/45/27/366104527.db2.gz VXHNZHYNOBGXSZ-SNVBAGLBSA-N 0 0 227.348 2.449 10 0 BEAERN Fc1cccc(Cl)c1[C@@H]1NCCCO1 ZINC000049815902 181000535 /nfs/dbraw/zinc/00/05/35/181000535.db2.gz UZGFDDABBSUNRE-SNVBAGLBSA-N 0 0 215.655 2.488 10 0 BEAERN Fc1cccc2c1CC[C@H]2NCc1ncc[nH]1 ZINC000112346591 181006983 /nfs/dbraw/zinc/00/69/83/181006983.db2.gz QZZQUXVOYNZROI-GFCCVEGCSA-N 0 0 231.274 2.326 10 0 BEAERN C/C=C/COc1ncc(N)cc1Br ZINC000232477246 353725592 /nfs/dbraw/zinc/72/55/92/353725592.db2.gz IJAZNHDPYXPBEO-NSCUHMNNSA-N 0 0 243.104 2.381 10 0 BEAERN CC(C)(O)c1cccc(Br)c1N ZINC000096034522 188500549 /nfs/dbraw/zinc/50/05/49/188500549.db2.gz ZKQIBMPUZPSPOA-UHFFFAOYSA-N 0 0 230.105 2.259 10 0 BEAERN Clc1ccnc(Cc2cccnc2)n1 ZINC000053130087 353747182 /nfs/dbraw/zinc/74/71/82/353747182.db2.gz WSLJQTGTSDYDQJ-UHFFFAOYSA-N 0 0 205.648 2.116 10 0 BEAERN Fc1cnc(-c2cncc(Cl)n2)nc1Cl ZINC000072204469 181017410 /nfs/dbraw/zinc/01/74/10/181017410.db2.gz WPHSZKXSXXMBAM-UHFFFAOYSA-N 0 0 245.044 2.380 10 0 BEAERN CC(C)(C)n1nc(C(F)(F)F)c2c(N)n[nH]c21 ZINC000104279921 188505216 /nfs/dbraw/zinc/50/52/16/188505216.db2.gz ZEMSRCGXMDGVBD-UHFFFAOYSA-N 0 0 247.224 2.115 10 0 BEAERN CC1CC(O)(Cc2ccncc2Cl)C1 ZINC000232868158 353881688 /nfs/dbraw/zinc/88/16/88/353881688.db2.gz RUFYVYJWBNEQLP-UHFFFAOYSA-N 0 0 211.692 2.439 10 0 BEAERN c1nc2c(ncnc2Oc2ccccc2)[nH]1 ZINC000011612589 188521676 /nfs/dbraw/zinc/52/16/76/188521676.db2.gz QUFBIKHKPIVLBM-UHFFFAOYSA-N 0 0 212.212 2.145 10 0 BEAERN CC(C)COC[C@@H](C)Nc1ncc(F)cn1 ZINC000301790278 188519031 /nfs/dbraw/zinc/51/90/31/188519031.db2.gz RAUOPQQAEUYUQM-SECBINFHSA-N 0 0 227.283 2.089 10 0 BEAERN CC(C)=CCCc1ncnc2[nH]cnc21 ZINC000013836945 188525034 /nfs/dbraw/zinc/52/50/34/188525034.db2.gz YFYGMQHLUPDZSD-UHFFFAOYSA-N 0 0 202.261 2.252 10 0 BEAERN C[C@H]1[C@@H](O)CCCN1C(=O)CC1CC(C)(C)C1 ZINC000334533878 353913505 /nfs/dbraw/zinc/91/35/05/353913505.db2.gz RFZNOEVTUKKICU-JQWIXIFHSA-N 0 0 239.359 2.185 10 0 BEAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)cc1O ZINC000334539046 353927091 /nfs/dbraw/zinc/92/70/91/353927091.db2.gz PYVWQDODEKITJN-NEPJUHHUSA-N 0 0 231.295 2.325 10 0 BEAERN CC1(NC(=O)C2=CC(=S)CS2)CC1 ZINC000232876421 353979498 /nfs/dbraw/zinc/97/94/98/353979498.db2.gz YSPGLRAGNNHXPX-UHFFFAOYSA-N 0 0 213.327 2.319 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1cncc(Br)c1 ZINC000301009832 188531511 /nfs/dbraw/zinc/53/15/11/188531511.db2.gz XKGQXCOBNNUCLJ-NKWVEPMBSA-N 0 0 245.120 2.025 10 0 BEAERN CC(=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000019410826 188531687 /nfs/dbraw/zinc/53/16/87/188531687.db2.gz SVFUQNSSUSKLMN-VIFPVBQESA-N 0 0 239.702 2.496 10 0 BEAERN CC[C@](C)(CCO)Nc1ncncc1Cl ZINC000230405105 363307774 /nfs/dbraw/zinc/30/77/74/363307774.db2.gz XRRZRHHYEZXYLF-SNVBAGLBSA-N 0 0 229.711 2.093 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)Nc1nccs1 ZINC000125992180 188579073 /nfs/dbraw/zinc/57/90/73/188579073.db2.gz CNMLSKWDMXRINH-UHFFFAOYSA-N 0 0 240.328 2.477 10 0 BEAERN Nc1n[nH]c(COc2ccc3ccccc3c2)n1 ZINC000004227408 354355302 /nfs/dbraw/zinc/35/53/02/354355302.db2.gz JCHAEIPQAKDYBI-UHFFFAOYSA-N 0 0 240.266 2.119 10 0 BEAERN Fc1cccnc1N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334730882 354531392 /nfs/dbraw/zinc/53/13/92/354531392.db2.gz OYORJUJQNIZUHK-JQWIXIFHSA-N 0 0 248.301 2.226 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCOc2ccncc21 ZINC000335123588 354763607 /nfs/dbraw/zinc/76/36/07/354763607.db2.gz LYTRDPKLBHZTAZ-MNOVXSKESA-N 0 0 246.310 2.243 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOc2ccncc21 ZINC000335123592 354763866 /nfs/dbraw/zinc/76/38/66/354763866.db2.gz LYTRDPKLBHZTAZ-QWRGUYRKSA-N 0 0 246.310 2.243 10 0 BEAERN O=C(c1cc(Cl)ccn1)N1C[C@@H]2CCC[C@H]21 ZINC000335144369 354851128 /nfs/dbraw/zinc/85/11/28/354851128.db2.gz APSNUXCYEUAXEM-GZMMTYOYSA-N 0 0 236.702 2.360 10 0 BEAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(C)n1 ZINC000335145017 354853679 /nfs/dbraw/zinc/85/36/79/354853679.db2.gz ZOONVQYZFZEKFQ-AAEUAGOBSA-N 0 0 230.311 2.323 10 0 BEAERN Brc1nc(C[C@H]2CCCO2)ns1 ZINC000166054843 354927110 /nfs/dbraw/zinc/92/71/10/354927110.db2.gz UAPLGWUQZSVROP-RXMQYKEDSA-N 0 0 249.133 2.022 10 0 BEAERN COP(=O)(OC)[C@@](C)(O)c1ccccc1F ZINC000584602544 491069888 /nfs/dbraw/zinc/06/98/88/491069888.db2.gz OCPUUKGIYGLPBH-SNVBAGLBSA-N 0 0 248.190 2.477 10 0 BEAERN C[C@@H]1C[C@@H](CNC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000335961688 134027141 /nfs/dbraw/zinc/02/71/41/134027141.db2.gz FAQTZOXTQCADAE-JGPRNRPPSA-N 0 0 242.363 2.288 10 0 BEAERN CC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000335212132 355049848 /nfs/dbraw/zinc/04/98/48/355049848.db2.gz CGPNOZDVDKVSID-NWDGAFQWSA-N 0 0 237.343 2.347 10 0 BEAERN O=C(N[C@@H]1CC12CCCCC2)N1CC[C@@H](F)C1 ZINC000335242591 355178637 /nfs/dbraw/zinc/17/86/37/355178637.db2.gz UFGLHRXNESFFLU-GHMZBOCLSA-N 0 0 240.322 2.463 10 0 BEAERN CC[C@@H](NC(=O)NCCCF)c1nccs1 ZINC000124037216 324608363 /nfs/dbraw/zinc/60/83/63/324608363.db2.gz PKACOBVCBAZCBX-MRVPVSSYSA-N 0 0 245.323 2.253 10 0 BEAERN CCC1(O)CCN(c2nccnc2C(C)C)CC1 ZINC000413157695 191357152 /nfs/dbraw/zinc/35/71/52/191357152.db2.gz ABQUNCOPZDALMT-UHFFFAOYSA-N 0 0 249.358 2.341 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1C[C@@H]1C ZINC000413058019 191351665 /nfs/dbraw/zinc/35/16/65/191351665.db2.gz ZIVMEERQOMRBPT-VHSXEESVSA-N 0 0 205.305 2.090 10 0 BEAERN CC(C)c1nccnc1N(C)C[C@@H]1CCC[C@H]1O ZINC000413197961 191362317 /nfs/dbraw/zinc/36/23/17/191362317.db2.gz GVCRVTISSJEDEF-NWDGAFQWSA-N 0 0 249.358 2.197 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CC[C@@H](C)O1 ZINC000413369770 191377365 /nfs/dbraw/zinc/37/73/65/191377365.db2.gz BUUTYGIPKDEENK-GHMZBOCLSA-N 0 0 235.331 2.001 10 0 BEAERN CCCN(C)c1nc(F)c(F)cc1F ZINC000233019608 355301308 /nfs/dbraw/zinc/30/13/08/355301308.db2.gz DJPPONMPNPVVQQ-UHFFFAOYSA-N 0 0 204.195 2.345 10 0 BEAERN COc1c(O)cc(Br)cc1F ZINC000215837929 355371378 /nfs/dbraw/zinc/37/13/78/355371378.db2.gz TWDRUJLSOCEDKQ-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN Cc1ccc(C[C@]2(C)CCC(=O)N2)s1 ZINC000134330898 355377737 /nfs/dbraw/zinc/37/77/37/355377737.db2.gz IXVKSAVJYKTCTH-NSHDSACASA-N 0 0 209.314 2.268 10 0 BEAERN N=C(N)c1nccnc1Sc1ccccc1F ZINC000054381034 181197672 /nfs/dbraw/zinc/19/76/72/181197672.db2.gz OGXMTSHLLOXFLJ-UHFFFAOYSA-N 0 0 248.286 2.051 10 0 BEAERN N=C1N=C2N(C(=O)NC23CCCC3)C12CCCC2 ZINC000074942538 181206414 /nfs/dbraw/zinc/20/64/14/181206414.db2.gz MEVSUPXHSFHNFZ-UHFFFAOYSA-N 0 0 246.314 2.027 10 0 BEAERN COc1cc(CN[C@H]2CCc3ccccc32)on1 ZINC000639323727 355717245 /nfs/dbraw/zinc/71/72/45/355717245.db2.gz GXMXRGFYADNOKA-ZDUSSCGKSA-N 0 0 244.294 2.460 10 0 BEAERN Cc1nc([C@@H]2CSCCN2)sc1C ZINC000160258357 355762709 /nfs/dbraw/zinc/76/27/09/355762709.db2.gz DAIDCLJVDPMRDZ-QMMMGPOBSA-N 0 0 214.359 2.137 10 0 BEAERN COc1ccccc1[C@]1(O)CSC[C@@H]1C ZINC000308990777 355836548 /nfs/dbraw/zinc/83/65/48/355836548.db2.gz VXKUVCGUVQPXPA-CABZTGNLSA-N 0 0 224.325 2.266 10 0 BEAERN NC(=O)CCOc1c(Cl)cccc1Cl ZINC000033434277 181226374 /nfs/dbraw/zinc/22/63/74/181226374.db2.gz YFZJPZZKHLPWMH-UHFFFAOYSA-N 0 0 234.082 2.248 10 0 BEAERN NC(=O)CCNc1cccc(Cl)c1Cl ZINC000036925713 181226380 /nfs/dbraw/zinc/22/63/80/181226380.db2.gz JKJSMMLGWKTMHE-UHFFFAOYSA-N 0 0 233.098 2.281 10 0 BEAERN NC(=O)CCn1c(-c2ccccc2)c[nH]c1=S ZINC000036747693 181228131 /nfs/dbraw/zinc/22/81/31/181228131.db2.gz MSQYUEYFEAYIMY-UHFFFAOYSA-N 0 0 247.323 2.088 10 0 BEAERN CCN1C(=O)N=C(c2ccccc2)[C@H]1C ZINC000100044312 356174649 /nfs/dbraw/zinc/17/46/49/356174649.db2.gz SIZFQJIWCVIAHN-SECBINFHSA-N 0 0 202.257 2.320 10 0 BEAERN CC(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000639468678 356254335 /nfs/dbraw/zinc/25/43/35/356254335.db2.gz WWHUXTOTWWJMLW-SNVBAGLBSA-N 0 0 224.329 2.259 10 0 BEAERN NC(=O)Oc1ccc(C(F)(F)F)cc1 ZINC000002560334 181263690 /nfs/dbraw/zinc/26/36/90/181263690.db2.gz JCPLZLUJLOCUOG-UHFFFAOYSA-N 0 0 205.135 2.163 10 0 BEAERN NC(=O)[C@@H](NCc1ccccc1)c1ccsc1 ZINC000037941209 181264766 /nfs/dbraw/zinc/26/47/66/181264766.db2.gz SXOSUSFXBCYJCF-LBPRGKRZSA-N 0 0 246.335 2.064 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1)c1cccs1 ZINC000041671896 181266343 /nfs/dbraw/zinc/26/63/43/181266343.db2.gz CCRHKMAWCGFPGD-NSHDSACASA-N 0 0 232.308 2.387 10 0 BEAERN NC(=O)[C@@H](Nc1ccccc1F)[C@H]1CC=CCC1 ZINC000037945471 181266628 /nfs/dbraw/zinc/26/66/28/181266628.db2.gz BTETVKRLOIHAGG-GWCFXTLKSA-N 0 0 248.301 2.448 10 0 BEAERN CC(C)(CCO)C(=O)OCc1ccccc1 ZINC000118170975 356413559 /nfs/dbraw/zinc/41/35/59/356413559.db2.gz VAJMPSJGPAGDKB-UHFFFAOYSA-N 0 0 222.284 2.138 10 0 BEAERN COC(=O)c1cnc(F)c(C(F)(F)F)c1 ZINC000396108001 356453724 /nfs/dbraw/zinc/45/37/24/356453724.db2.gz AOWFQJPYAIXBLG-UHFFFAOYSA-N 0 0 223.125 2.026 10 0 BEAERN Cn1cc(C(=O)C2C(C)(C)C2(C)C)cn1 ZINC000167840918 356447256 /nfs/dbraw/zinc/44/72/56/356447256.db2.gz RGXDUEOPIUBYKJ-UHFFFAOYSA-N 0 0 206.289 2.285 10 0 BEAERN COC(=O)c1scc(Cl)c1NC(C)=O ZINC000145716773 356481781 /nfs/dbraw/zinc/48/17/81/356481781.db2.gz FGBJNRLHSOQZMV-UHFFFAOYSA-N 0 0 233.676 2.147 10 0 BEAERN Cc1ccc(Cl)cc1NCC1OCCO1 ZINC000145499920 356481875 /nfs/dbraw/zinc/48/18/75/356481875.db2.gz HNDFPBZYKZEWKQ-UHFFFAOYSA-N 0 0 227.691 2.433 10 0 BEAERN CC(C)c1nccnc1N1C[C@H](C)C[C@H](CO)C1 ZINC000420639746 192254318 /nfs/dbraw/zinc/25/43/18/192254318.db2.gz YCNCYDKXNPBCJG-NEPJUHHUSA-N 0 0 249.358 2.055 10 0 BEAERN NC(=O)[C@H](Nc1ccccc1F)[C@@H]1CC=CCC1 ZINC000037945474 181278359 /nfs/dbraw/zinc/27/83/59/181278359.db2.gz BTETVKRLOIHAGG-ZWNOBZJWSA-N 0 0 248.301 2.448 10 0 BEAERN NC(=O)[C@H]1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000013677626 181283587 /nfs/dbraw/zinc/28/35/87/181283587.db2.gz AAALFTUMOWSRRM-ZETCQYMHSA-N 0 0 248.713 2.412 10 0 BEAERN NC(=O)c1c(Cl)cccc1N1CCCC1 ZINC000253573592 181286004 /nfs/dbraw/zinc/28/60/04/181286004.db2.gz RPDDWQSJDYTPAT-UHFFFAOYSA-N 0 0 224.691 2.039 10 0 BEAERN O=Cc1cccc(-c2cncc(C=O)c2)c1 ZINC000675058207 538481387 /nfs/dbraw/zinc/48/13/87/538481387.db2.gz WYNJRPSJLWTCIA-UHFFFAOYSA-N 0 0 211.220 2.374 10 0 BEAERN Cc1cccc([C@@H]2CC[C@@H](CO)OC2)c1 ZINC000675058471 538481754 /nfs/dbraw/zinc/48/17/54/538481754.db2.gz HRHHQCXCBPPWBA-OLZOCXBDSA-N 0 0 206.285 2.250 10 0 BEAERN CCCc1noc(Cl)c1C(=O)OCC ZINC000675067508 538495065 /nfs/dbraw/zinc/49/50/65/538495065.db2.gz HRUGFCIMFGTWSY-UHFFFAOYSA-N 0 0 217.652 2.457 10 0 BEAERN CC(C)(C)[C@@H]1CCC[C@@H](S(N)(=O)=O)CC1 ZINC000083438780 538500526 /nfs/dbraw/zinc/50/05/26/538500526.db2.gz PIVXYKZLLYPJRV-NXEZZACHSA-N 0 0 233.377 2.270 10 0 BEAERN Cn1ncc(N)c1-c1cccc(Cl)c1F ZINC000675070944 538501741 /nfs/dbraw/zinc/50/17/41/538501741.db2.gz UQKNTCUWIDEMLJ-UHFFFAOYSA-N 0 0 225.654 2.462 10 0 BEAERN O=Cc1ccc(-c2cnn3cccnc23)s1 ZINC000675072253 538502814 /nfs/dbraw/zinc/50/28/14/538502814.db2.gz ANVUCIYQHQRXIK-UHFFFAOYSA-N 0 0 229.264 2.270 10 0 BEAERN Fc1cncc(F)c1-c1cnn2cccnc12 ZINC000675072424 538503146 /nfs/dbraw/zinc/50/31/46/538503146.db2.gz GICNDVFIHFECEF-UHFFFAOYSA-N 0 0 232.193 2.070 10 0 BEAERN O=Cc1ccccc1-c1cnn2cccnc12 ZINC000675073646 538505594 /nfs/dbraw/zinc/50/55/94/538505594.db2.gz RXQIMSFPKLMODT-UHFFFAOYSA-N 0 0 223.235 2.209 10 0 BEAERN Oc1cccc(-c2cnn3cccnc23)c1 ZINC000675073661 538505853 /nfs/dbraw/zinc/50/58/53/538505853.db2.gz SHZAVRDHVBZAEY-UHFFFAOYSA-N 0 0 211.224 2.102 10 0 BEAERN O=Cc1ccc(-c2cnn3cccnc23)cc1 ZINC000675074183 538506865 /nfs/dbraw/zinc/50/68/65/538506865.db2.gz YUTNOOGECRVREY-UHFFFAOYSA-N 0 0 223.235 2.209 10 0 BEAERN CCCCN=[S@](=O)(NC)c1cccc(N)c1 ZINC000675074895 538508029 /nfs/dbraw/zinc/50/80/29/538508029.db2.gz JOEKORGKOZFZRC-MRXNPFEDSA-N 0 0 241.360 2.030 10 0 BEAERN CC[C@@H](C)N=[S@](=O)(NC)c1cccc(N)c1 ZINC000675076173 538510155 /nfs/dbraw/zinc/51/01/55/538510155.db2.gz UXGSMWIWRVXXMJ-JDNHERCYSA-N 0 0 241.360 2.029 10 0 BEAERN CC(C)(C)n1cc(-c2ccccc2N)nn1 ZINC000675078739 538516753 /nfs/dbraw/zinc/51/67/53/538516753.db2.gz KMUORUMKBZATKB-UHFFFAOYSA-N 0 0 216.288 2.282 10 0 BEAERN COc1ccccc1[C@]12C[C@H](CC1)[C@@H]2O ZINC000675081854 538523178 /nfs/dbraw/zinc/52/31/78/538523178.db2.gz XFIDIIOMYJROOG-TVYUQYBPSA-N 0 0 204.269 2.108 10 0 BEAERN CC[C@H](C)C(=O)[C@@H]1Cc2nc(C)ccc2O1 ZINC000675080308 538519656 /nfs/dbraw/zinc/51/96/56/538519656.db2.gz BVAXSPCTWRLYFU-UFBFGSQYSA-N 0 0 219.284 2.309 10 0 BEAERN O=C(CC1CC1)[C@H]1Cc2cccc(F)c2O1 ZINC000675081075 538521678 /nfs/dbraw/zinc/52/16/78/538521678.db2.gz FJUOTRVWCHAWLR-GFCCVEGCSA-N 0 0 220.243 2.498 10 0 BEAERN CCCC(=O)[C@H]1Cc2nc(C)ccc2O1 ZINC000675081098 538521694 /nfs/dbraw/zinc/52/16/94/538521694.db2.gz GPOBCVANNUFHNS-GFCCVEGCSA-N 0 0 205.257 2.063 10 0 BEAERN CC(C)c1ccc([C@H]2CCS(=O)(=O)N2)cc1 ZINC000675081836 538523069 /nfs/dbraw/zinc/52/30/69/538523069.db2.gz OYRWABUNJLMTPD-GFCCVEGCSA-N 0 0 239.340 2.174 10 0 BEAERN Cc1ccc2c(n1)C[C@H](C(=O)CC(C)C)O2 ZINC000675081555 538522376 /nfs/dbraw/zinc/52/23/76/538522376.db2.gz SMNWUHBQUYVISC-CYBMUJFWSA-N 0 0 219.284 2.309 10 0 BEAERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@H](C)CC2 ZINC000084324558 538530501 /nfs/dbraw/zinc/53/05/01/538530501.db2.gz FSEJSGQGNCKLCK-JBLDHEPKSA-N 0 0 212.289 2.287 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]12CCCCC2(C)C ZINC000086849305 538560917 /nfs/dbraw/zinc/56/09/17/538560917.db2.gz KGBRSDVARKQQIR-SKDRFNHKSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(C)O[C@@]12CCCCC2(C)C ZINC000086849323 538561247 /nfs/dbraw/zinc/56/12/47/538561247.db2.gz RWPXEUMNTLGQRS-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@@H]2C ZINC000220856315 538547917 /nfs/dbraw/zinc/54/79/17/538547917.db2.gz MOZKRANAIOFGIR-DLOVCJGASA-N 0 0 212.289 2.143 10 0 BEAERN O=C(CSC1COC1)c1ccccc1F ZINC000086195531 538551384 /nfs/dbraw/zinc/55/13/84/538551384.db2.gz LBEXPQBIDRSDRH-UHFFFAOYSA-N 0 0 226.272 2.140 10 0 BEAERN Cc1ccc(C(=O)CSC2COC2)cc1 ZINC000086195460 538552123 /nfs/dbraw/zinc/55/21/23/538552123.db2.gz UHWPRGDVMJCKCP-UHFFFAOYSA-N 0 0 222.309 2.310 10 0 BEAERN Nc1cn(Cc2c(Cl)cccc2Cl)nn1 ZINC000086491316 538554892 /nfs/dbraw/zinc/55/48/92/538554892.db2.gz XYEUATZGEKTCOQ-UHFFFAOYSA-N 0 0 243.097 2.215 10 0 BEAERN Cc1n[nH]cc1-c1ccc(C=O)c(F)c1 ZINC000675082654 538523748 /nfs/dbraw/zinc/52/37/48/538523748.db2.gz SUVJJSBPSKSDSO-UHFFFAOYSA-N 0 0 204.204 2.337 10 0 BEAERN O=C(CC1CC1)[C@@H]1Cc2ccccc2O1 ZINC000125945817 538527122 /nfs/dbraw/zinc/52/71/22/538527122.db2.gz RQHGPGCBDUUEIS-ZDUSSCGKSA-N 0 0 202.253 2.359 10 0 BEAERN Nc1cccc(-c2nccn2CCF)c1 ZINC000087775427 538569439 /nfs/dbraw/zinc/56/94/39/538569439.db2.gz MUNCRZWFHCMWQK-UHFFFAOYSA-N 0 0 205.236 2.102 10 0 BEAERN COC(=O)C1=C(O)C2(CCCC2)CCC1 ZINC000088247642 538571895 /nfs/dbraw/zinc/57/18/95/538571895.db2.gz DCMFWBFWNUXONG-VIFPVBQESA-N 0 0 210.273 2.089 10 0 BEAERN CCSCCCn1cc(Cl)c(N)n1 ZINC000129120868 538572525 /nfs/dbraw/zinc/57/25/25/538572525.db2.gz RIFNOMIUWVEFOQ-UHFFFAOYSA-N 0 0 219.741 2.262 10 0 BEAERN Cc1nc([C@@H](C)S(=O)(=O)Cl)c(C)s1 ZINC000088251280 538572882 /nfs/dbraw/zinc/57/28/82/538572882.db2.gz XNUTVZIMPODNMO-RXMQYKEDSA-N 0 0 239.749 2.390 10 0 BEAERN COC(=O)[C@]1(C)O[C@]12CC[C@@H](C)C[C@@H]2C ZINC000227199311 538616343 /nfs/dbraw/zinc/61/63/43/538616343.db2.gz WGLCNIOAYNSFBB-QCZKYFFMSA-N 0 0 212.289 2.143 10 0 BEAERN COC(=O)[C@]1(C)OC12C[C@H](C)C[C@@H](C)C2 ZINC000227198824 538617015 /nfs/dbraw/zinc/61/70/15/538617015.db2.gz WXNDMWQNSVWYEC-KKZNHRDASA-N 0 0 212.289 2.143 10 0 BEAERN CCOC(OCC)c1nc2cnccc2n1C ZINC000088867181 356872577 /nfs/dbraw/zinc/87/25/77/356872577.db2.gz DKCAYPMSUQKNEY-UHFFFAOYSA-N 0 0 235.287 2.040 10 0 BEAERN Cc1cccc([C@H]([NH3+])C(C)(C)C(=O)[O-])c1 ZINC000214825314 356965718 /nfs/dbraw/zinc/96/57/18/356965718.db2.gz QANISQLXXCLSOM-JTQLQIEISA-N 0 0 207.273 2.106 10 0 BEAERN CCCc1nc(Br)cc(N(C)C)n1 ZINC000160513994 357027409 /nfs/dbraw/zinc/02/74/09/357027409.db2.gz FPAHVXQNBANQIB-UHFFFAOYSA-N 0 0 244.136 2.258 10 0 BEAERN CC(C)(C)Nc1cc(Br)ncn1 ZINC000160495142 357007641 /nfs/dbraw/zinc/00/76/41/357007641.db2.gz LHNFQGRTKZZYOQ-UHFFFAOYSA-N 0 0 230.109 2.450 10 0 BEAERN CC1(C)C[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000119110224 357009686 /nfs/dbraw/zinc/00/96/86/357009686.db2.gz RVGVESIZYNESII-WOPDTQHZSA-N 0 0 237.343 2.203 10 0 BEAERN O[C@]1(c2cccc(Br)c2)CCOC1 ZINC000257948305 538771785 /nfs/dbraw/zinc/77/17/85/538771785.db2.gz CUEDNYRETAOGER-SNVBAGLBSA-N 0 0 243.100 2.057 10 0 BEAERN CCN(CC)c1cc(Br)nc(C)n1 ZINC000160506261 357019639 /nfs/dbraw/zinc/01/96/39/357019639.db2.gz VYJVVSDPZHBPDP-UHFFFAOYSA-N 0 0 244.136 2.394 10 0 BEAERN NC1(c2nc3ccc(Cl)cc3o2)CC1 ZINC000160510472 357019962 /nfs/dbraw/zinc/01/99/62/357019962.db2.gz YGSJRXIFNFBTFR-UHFFFAOYSA-N 0 0 208.648 2.429 10 0 BEAERN C[C@H]1CCCN1c1cc(Br)ncn1 ZINC000160598737 357112830 /nfs/dbraw/zinc/11/28/30/357112830.db2.gz MQQCRMUPHDYFPB-ZETCQYMHSA-N 0 0 242.120 2.228 10 0 BEAERN c1ncc(Cn2cnc3c2CCCC3)s1 ZINC000130477127 491107335 /nfs/dbraw/zinc/10/73/35/491107335.db2.gz XJSPESCSYPYXTD-UHFFFAOYSA-N 0 0 219.313 2.267 10 0 BEAERN CCOC(=O)c1coc2ncnc(Cl)c12 ZINC000223811417 357088689 /nfs/dbraw/zinc/08/86/89/357088689.db2.gz YOXDORHYPGUVPU-UHFFFAOYSA-N 0 0 226.619 2.053 10 0 BEAERN CC(=O)Nc1ccc(C(=O)C(F)F)cc1 ZINC000300037404 357173798 /nfs/dbraw/zinc/17/37/98/357173798.db2.gz COHTXHGSPUMSIN-UHFFFAOYSA-N 0 0 213.183 2.093 10 0 BEAERN C[C@H]1C[C@H]1Nc1cc(Br)ncn1 ZINC000160673442 357168084 /nfs/dbraw/zinc/16/80/84/357168084.db2.gz JFODTNFBYIAZBC-NTSWFWBYSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@@H]1C[C@H]1Nc1cc(Br)ncn1 ZINC000160673309 357168288 /nfs/dbraw/zinc/16/82/88/357168288.db2.gz JFODTNFBYIAZBC-PHDIDXHHSA-N 0 0 228.093 2.059 10 0 BEAERN Cc1nc(Br)cc(N[C@@H]2C[C@H]2C)n1 ZINC000160675430 357169517 /nfs/dbraw/zinc/16/95/17/357169517.db2.gz HSIFPOMQKWCROP-IYSWYEEDSA-N 0 0 242.120 2.368 10 0 BEAERN CN(CC(=O)C1CCC1)C(=O)OC(C)(C)C ZINC000259074385 538806531 /nfs/dbraw/zinc/80/65/31/538806531.db2.gz AVPBKPBNFMUYOM-UHFFFAOYSA-N 0 0 227.304 2.223 10 0 BEAERN O[C@@H](Cc1cccs1)c1ccncc1 ZINC000053783076 357180058 /nfs/dbraw/zinc/18/00/58/357180058.db2.gz RNOGUXQKFCBSEP-NSHDSACASA-N 0 0 205.282 2.419 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@@]12CC(C)(C)C[C@H]2C ZINC000300063170 357183737 /nfs/dbraw/zinc/18/37/37/357183737.db2.gz RSTCJNSGRSMXSO-ONOSFVFSSA-N 0 0 232.707 2.320 10 0 BEAERN NC(=O)c1cc(NC2CCCC2)ccc1F ZINC000037021186 181290685 /nfs/dbraw/zinc/29/06/85/181290685.db2.gz HTADBFSYBGEDBM-UHFFFAOYSA-N 0 0 222.263 2.279 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cnco2)C1 ZINC000169251710 357265231 /nfs/dbraw/zinc/26/52/31/357265231.db2.gz YQBKKJDTDVPVLG-SECBINFHSA-N 0 0 238.287 2.399 10 0 BEAERN CC1(C)CC(=O)N(Cc2ccccc2)C1 ZINC000218570446 357272007 /nfs/dbraw/zinc/27/20/07/357272007.db2.gz HVFPPISBBGEQRX-UHFFFAOYSA-N 0 0 203.285 2.445 10 0 BEAERN CCOC(=O)c1cc2ccc(C)cc2c(=O)[nH]1 ZINC000259949443 538833785 /nfs/dbraw/zinc/83/37/85/538833785.db2.gz DKHKKWQCIIDDPR-UHFFFAOYSA-N 0 0 231.251 2.426 10 0 BEAERN NC(=O)c1cc(NCc2ccsc2)ccc1N ZINC000063151522 181291420 /nfs/dbraw/zinc/29/14/20/181291420.db2.gz PLSCMSYLFQBTAY-UHFFFAOYSA-N 0 0 247.323 2.041 10 0 BEAERN CCOC(=O)c1cc2cc(C)ccc2c(=O)[nH]1 ZINC000260248491 538840231 /nfs/dbraw/zinc/84/02/31/538840231.db2.gz YJJYXWNHUBLFSH-UHFFFAOYSA-N 0 0 231.251 2.426 10 0 BEAERN COCCC1(C(=O)NCCC2=CCCC2)CC1 ZINC000131703122 325178835 /nfs/dbraw/zinc/17/88/35/325178835.db2.gz OYURHRYDKYQWGK-UHFFFAOYSA-N 0 0 237.343 2.420 10 0 BEAERN CC(C)CCCNC(=O)[C@H]1CCCO[C@H]1C ZINC000188230150 357534987 /nfs/dbraw/zinc/53/49/87/357534987.db2.gz BVGLBVHPHVVKAK-RYUDHWBXSA-N 0 0 227.348 2.354 10 0 BEAERN NC(=O)c1cc(NCc2cccs2)ccc1N ZINC000041082788 181291484 /nfs/dbraw/zinc/29/14/84/181291484.db2.gz IUWLTEIGRNQVDL-UHFFFAOYSA-N 0 0 247.323 2.041 10 0 BEAERN Cc1cnc([C@H](C)Nc2nccnc2C)o1 ZINC000231747410 357624094 /nfs/dbraw/zinc/62/40/94/357624094.db2.gz PPFAXSSJXWGBOQ-VIFPVBQESA-N 0 0 218.260 2.255 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC1(C)C ZINC000188988077 357598418 /nfs/dbraw/zinc/59/84/18/357598418.db2.gz QVJIXBIVPORGGK-SDDRHHMPSA-N 0 0 239.359 2.496 10 0 BEAERN CCC[C@H]1CN(C(=O)N[C@H](C)C(C)C)CCO1 ZINC000159185035 538875487 /nfs/dbraw/zinc/87/54/87/538875487.db2.gz RGZKTZBUXAJVBC-NEPJUHHUSA-N 0 0 242.363 2.241 10 0 BEAERN CC(C)C[C@H](C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189701760 357654966 /nfs/dbraw/zinc/65/49/66/357654966.db2.gz UDVGSHMDEVXADT-SDDRHHMPSA-N 0 0 227.348 2.352 10 0 BEAERN CCOC[C@H](NC(=O)N[C@H](C)C(C)C)C(C)C ZINC000189716823 357663936 /nfs/dbraw/zinc/66/39/36/357663936.db2.gz KZZLWKAYDHWKGT-NEPJUHHUSA-N 0 0 244.379 2.391 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCC1=CCCC1 ZINC000189728198 357666015 /nfs/dbraw/zinc/66/60/15/357666015.db2.gz YLDHCZGAMVYPEB-AAEUAGOBSA-N 0 0 237.343 2.418 10 0 BEAERN CCOCCN1C(=S)N=NC1C[C@@H](C)CC ZINC000685949532 538892974 /nfs/dbraw/zinc/89/29/74/538892974.db2.gz BGNSTHINQNAIOT-VIFPVBQESA-N 0 0 243.376 2.192 10 0 BEAERN CC(C)(C)CC1N=NC(=S)N1CC(F)F ZINC000685949772 538893067 /nfs/dbraw/zinc/89/30/67/538893067.db2.gz IXBHPQASGNUILN-UHFFFAOYSA-N 0 0 235.303 2.421 10 0 BEAERN CCOCCN1C(=S)N=NC1C1CC(C)C1 ZINC000685950130 538893592 /nfs/dbraw/zinc/89/35/92/538893592.db2.gz ODDPACNOEYYAOZ-UHFFFAOYSA-N 0 0 241.360 2.117 10 0 BEAERN CCCCN1C(=S)N=NC1c1cscn1 ZINC000685950283 538893615 /nfs/dbraw/zinc/89/36/15/538893615.db2.gz VXYAXSGIFZGJNW-UHFFFAOYSA-N 0 0 240.357 2.490 10 0 BEAERN CC[C@@H](C)C1N=NC(=S)N1CC(F)F ZINC000685950354 538893883 /nfs/dbraw/zinc/89/38/83/538893883.db2.gz YONFECUKZNSPGD-RXMQYKEDSA-N 0 0 221.276 2.345 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nc(OC)cc(OC)n1 ZINC000233311898 357711750 /nfs/dbraw/zinc/71/17/50/357711750.db2.gz ZCGFOBCRLBBFEN-RKDXNWHRSA-N 0 0 237.303 2.094 10 0 BEAERN C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)C1CCCC1 ZINC000191804496 357798620 /nfs/dbraw/zinc/79/86/20/357798620.db2.gz IVUYQUSRXMMGFW-DMDPSCGWSA-N 0 0 239.359 2.496 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191562697 357785744 /nfs/dbraw/zinc/78/57/44/357785744.db2.gz NXZGXGQSDNDVCV-QJPTWQEYSA-N 0 0 227.348 2.306 10 0 BEAERN C=CS(=O)(=O)c1ccccc1Cl ZINC000001737185 357916841 /nfs/dbraw/zinc/91/68/41/357916841.db2.gz LNVLGDVOEWXRHB-UHFFFAOYSA-N 0 0 202.662 2.257 10 0 BEAERN CN(C(=O)c1cnccc1Cl)C1CCC1 ZINC000160739025 357993346 /nfs/dbraw/zinc/99/33/46/357993346.db2.gz VJBHXQRXPGOULP-UHFFFAOYSA-N 0 0 224.691 2.360 10 0 BEAERN Cc1nc(C[C@@H]2CCOC2)nc(Cl)c1C ZINC000168928870 358000590 /nfs/dbraw/zinc/00/05/90/358000590.db2.gz JIIUELNYBPKFRA-VIFPVBQESA-N 0 0 226.707 2.326 10 0 BEAERN CCCN(C)CC(=O)c1cc(C)n(C)c1C ZINC000037335607 358078108 /nfs/dbraw/zinc/07/81/08/358078108.db2.gz QZPPOLDWCQVXSA-UHFFFAOYSA-N 0 0 222.332 2.166 10 0 BEAERN Cc1cccc(CNCc2ccco2)n1 ZINC000037898523 358097484 /nfs/dbraw/zinc/09/74/84/358097484.db2.gz QQFURIFMZYLUPF-UHFFFAOYSA-N 0 0 202.257 2.273 10 0 BEAERN Cc1nc([C@@H](C)NC(=O)C2CC2)cs1 ZINC000170497013 134254683 /nfs/dbraw/zinc/25/46/83/134254683.db2.gz ACKDDUWVLPSFMV-ZCFIWIBFSA-N 0 0 210.302 2.039 10 0 BEAERN COc1cc2cc(C)[nH]c(=O)c2cc1F ZINC000584613075 358107280 /nfs/dbraw/zinc/10/72/80/358107280.db2.gz WSZPAAHEJAAVKU-UHFFFAOYSA-N 0 0 207.204 2.397 10 0 BEAERN CN(C)C(=O)C(C)(C)c1ccc(Cl)nc1 ZINC000584633546 358119256 /nfs/dbraw/zinc/11/92/56/358119256.db2.gz RFWSKWOMFDZUPH-UHFFFAOYSA-N 0 0 226.707 2.101 10 0 BEAERN CN(C)C(=O)Oc1cc(Cl)ccc1O ZINC000584638205 358124227 /nfs/dbraw/zinc/12/42/27/358124227.db2.gz BVLCTEDBHXYCPT-UHFFFAOYSA-N 0 0 215.636 2.106 10 0 BEAERN NC(=O)C12CCC(CC1)c1ccccc12 ZINC000039018436 358217257 /nfs/dbraw/zinc/21/72/57/358217257.db2.gz WTRBTYMYDMQGDH-UHFFFAOYSA-N 0 0 201.269 2.081 10 0 BEAERN OCc1cc(OCc2ccccc2)ccn1 ZINC000039019073 358217307 /nfs/dbraw/zinc/21/73/07/358217307.db2.gz YMFDHAOBUOVUNL-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN c1ccc2c(c1)OCC[C@H]2Nc1cccnn1 ZINC000052831401 358233219 /nfs/dbraw/zinc/23/32/19/358233219.db2.gz RNPDAEXXAXAVIY-LLVKDONJSA-N 0 0 227.267 2.412 10 0 BEAERN COc1ccc(/C(C)=C/C(=O)NC2CC2)cc1 ZINC000040642998 358245363 /nfs/dbraw/zinc/24/53/63/358245363.db2.gz APSPUURUHQPDMY-MDZDMXLPSA-N 0 0 231.295 2.377 10 0 BEAERN C[C@@]1(Br)COc2ccccc2C1=O ZINC000584630920 358249210 /nfs/dbraw/zinc/24/92/10/358249210.db2.gz AHZNMFMOCZXLIB-SNVBAGLBSA-N 0 0 241.084 2.415 10 0 BEAERN CNC(=O)c1ccccc1OCc1ccccn1 ZINC000039225799 358220646 /nfs/dbraw/zinc/22/06/46/358220646.db2.gz XRANWEGKYGXETE-UHFFFAOYSA-N 0 0 242.278 2.020 10 0 BEAERN CCC(=O)N1CCN(c2ccc(Cl)cc2)C1 ZINC000584613382 358277664 /nfs/dbraw/zinc/27/76/64/358277664.db2.gz GUBJZFOOCRQKNP-UHFFFAOYSA-N 0 0 238.718 2.356 10 0 BEAERN C=C(OC(=O)N(C)C)c1ccc(OC)cc1 ZINC000584613544 358277812 /nfs/dbraw/zinc/27/78/12/358277812.db2.gz QZRKWWFQPYBLKQ-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN Cc1cccc(C[C@@H](O)c2ccco2)n1 ZINC000584613775 358277818 /nfs/dbraw/zinc/27/78/18/358277818.db2.gz HSQWJWFOKGZJPV-LLVKDONJSA-N 0 0 203.241 2.259 10 0 BEAERN Cc1cccc(C2(O)CCC(O)CC2)c1 ZINC000584615088 358279525 /nfs/dbraw/zinc/27/95/25/358279525.db2.gz JNBTTWXXDCVJQY-UHFFFAOYSA-N 0 0 206.285 2.118 10 0 BEAERN C[C@@H]1CCCN(NC(=O)c2ccccc2)C1 ZINC000584591924 358250380 /nfs/dbraw/zinc/25/03/80/358250380.db2.gz BUNVMLZQLOXHJQ-LLVKDONJSA-N 0 0 218.300 2.063 10 0 BEAERN COCC(C)(C)c1c(F)cc(N)cc1F ZINC000584592640 358251050 /nfs/dbraw/zinc/25/10/50/358251050.db2.gz UGEBFWFTKXYTGX-UHFFFAOYSA-N 0 0 215.243 2.471 10 0 BEAERN COC(=O)[C@H]1CCC[C@@](C(=O)OC)(C(C)C)C1 ZINC000584615254 358279796 /nfs/dbraw/zinc/27/97/96/358279796.db2.gz XBBPJCGIXSVFDS-GWCFXTLKSA-N 0 0 242.315 2.165 10 0 BEAERN CCOC(=O)C[C@@H](C)C(=O)c1cccc(N)c1 ZINC000584594790 358252089 /nfs/dbraw/zinc/25/20/89/358252089.db2.gz XTTJODTXZOUTHY-SECBINFHSA-N 0 0 235.283 2.041 10 0 BEAERN CCOC(=O)[C@@H](C(=O)CC)c1ccc(F)cc1 ZINC000584595358 358252754 /nfs/dbraw/zinc/25/27/54/358252754.db2.gz RJVOHHAVHKWBML-GFCCVEGCSA-N 0 0 238.258 2.452 10 0 BEAERN COC(=O)c1ccc([C@@H]2CC(=O)CCO2)c(C)c1 ZINC000584597936 358255860 /nfs/dbraw/zinc/25/58/60/358255860.db2.gz UNWIQDSHIFGSIK-ZDUSSCGKSA-N 0 0 248.278 2.202 10 0 BEAERN O=C1C[C@H]2CC[C@@H]1[C@H](O)[C@H]2c1ccccc1 ZINC000584599877 358256559 /nfs/dbraw/zinc/25/65/59/358256559.db2.gz VBYAEPOBIZACRL-XWUBHJNHSA-N 0 0 216.280 2.130 10 0 BEAERN CC(=O)[C@H]1CC[C@H]1C(=O)OCc1ccccc1 ZINC000584600655 358257072 /nfs/dbraw/zinc/25/70/72/358257072.db2.gz VVKVCHQBSVLYDP-CHWSQXEVSA-N 0 0 232.279 2.345 10 0 BEAERN Nc1nccc2nc(C3(O)CCCCC3)sc21 ZINC000584601537 358258587 /nfs/dbraw/zinc/25/85/87/358258587.db2.gz XAIJWOVHUICSMD-UHFFFAOYSA-N 0 0 249.339 2.256 10 0 BEAERN CCO[C@H](O)[C@@H]1[C@@H](C)[C@@H]1Oc1ccccc1 ZINC000584601708 358258671 /nfs/dbraw/zinc/25/86/71/358258671.db2.gz AQJOHRNUQGRIQP-XEZLXBQYSA-N 0 0 222.284 2.055 10 0 BEAERN CC(C)OP(=O)(OC(C)C)N1CCC1=O ZINC000584602781 358260718 /nfs/dbraw/zinc/26/07/18/358260718.db2.gz YCPBUTLQBVZTPR-UHFFFAOYSA-N 0 0 235.220 2.177 10 0 BEAERN CCOC(=O)Oc1cc(C)cc(CO)c1 ZINC000584603138 358261193 /nfs/dbraw/zinc/26/11/93/358261193.db2.gz WOSVQNDNXPMCIY-UHFFFAOYSA-N 0 0 210.229 2.023 10 0 BEAERN CCO[P@](N)(=O)c1c(C)cccc1C ZINC000584602962 358261337 /nfs/dbraw/zinc/26/13/37/358261337.db2.gz CJRHAEOQOOFPOW-CQSZACIVSA-N 0 0 213.217 2.117 10 0 BEAERN CCOC(=O)[C@@H](F)c1ccccc1C(C)=O ZINC000584603083 358261482 /nfs/dbraw/zinc/26/14/82/358261482.db2.gz SILPCUCCUHEVGK-NSHDSACASA-N 0 0 224.231 2.463 10 0 BEAERN CCO[C@@H]1CN(c2ccc(C(C)=O)cc2)CCO1 ZINC000584603791 358262173 /nfs/dbraw/zinc/26/21/73/358262173.db2.gz NAWHGNIJCIFLET-AWEZNQCLSA-N 0 0 249.310 2.088 10 0 BEAERN CCCC1(c2cccc(O)c2)CN(C(C)=O)C1 ZINC000584603666 358262262 /nfs/dbraw/zinc/26/22/62/358262262.db2.gz JHFIGGSMKURRGR-UHFFFAOYSA-N 0 0 233.311 2.292 10 0 BEAERN O=C(OCc1ccccc1)N1CCC[C@H]1CCO ZINC000079973719 363601528 /nfs/dbraw/zinc/60/15/28/363601528.db2.gz XWPPMGVKGWYFAA-ZDUSSCGKSA-N 0 0 249.310 2.170 10 0 BEAERN CCOC(=O)C[C@H](C)C[C@@H](O)CC(C)C ZINC000584604444 358262993 /nfs/dbraw/zinc/26/29/93/358262993.db2.gz FDEWTBVTDUTWIE-MNOVXSKESA-N 0 0 216.321 2.373 10 0 BEAERN C[C@H](Cc1cccc(Br)c1)NC=O ZINC000584604051 358263026 /nfs/dbraw/zinc/26/30/26/358263026.db2.gz HSUBRNBODLTYHG-MRVPVSSYSA-N 0 0 242.116 2.126 10 0 BEAERN COc1ccc2cc(NC=O)ccc2c1OC ZINC000584604289 358263137 /nfs/dbraw/zinc/26/31/37/358263137.db2.gz WAFRWYXTLXFPFJ-UHFFFAOYSA-N 0 0 231.251 2.425 10 0 BEAERN CCOC(=O)c1ccc([C@H](C)OC(C)=O)o1 ZINC000584604578 358263758 /nfs/dbraw/zinc/26/37/58/358263758.db2.gz YNBIRUAYJFWDGG-ZETCQYMHSA-N 0 0 226.228 2.080 10 0 BEAERN O=C(c1nc2cc[nH]cc-2n1)c1ccccc1 ZINC000584606252 358265297 /nfs/dbraw/zinc/26/52/97/358265297.db2.gz IJJORXSYCBIQCU-UHFFFAOYSA-N 0 0 223.235 2.189 10 0 BEAERN C1=Cc2c(ccc3c4c(ccc23)=C2OCOC2=C4)=C1 ZINC000584605818 358265304 /nfs/dbraw/zinc/26/53/04/358265304.db2.gz MWZBZCLXJAPANX-UHFFFAOYSA-N 0 0 246.265 2.114 10 0 BEAERN CC(C)(C)CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077141590 325366817 /nfs/dbraw/zinc/36/68/17/325366817.db2.gz GXFIAZRSJXLJFF-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN COC(=O)C=C(C)Nc1cccc(OC)c1 ZINC000584606913 358266419 /nfs/dbraw/zinc/26/64/19/358266419.db2.gz SECRTJZQERSOIW-CLFYSBASSA-N 0 0 221.256 2.184 10 0 BEAERN COC/C=C/c1ccccc1C(=O)OC ZINC000584606931 358266621 /nfs/dbraw/zinc/26/66/21/358266621.db2.gz ZMOKXMLFJUWHCV-FNORWQNLSA-N 0 0 206.241 2.133 10 0 BEAERN CCC(=O)Nc1c(F)cc(OC)cc1F ZINC000584607843 358268435 /nfs/dbraw/zinc/26/84/35/358268435.db2.gz KYPUEEATBJATRE-UHFFFAOYSA-N 0 0 215.199 2.322 10 0 BEAERN CCOC(CNSc1ccncc1)OCC ZINC000584607769 358268530 /nfs/dbraw/zinc/26/85/30/358268530.db2.gz BEMCIEGCWSOZPH-UHFFFAOYSA-N 0 0 242.344 2.077 10 0 BEAERN CC(C)[C@H]1CN(c2ccccc2)C(=S)N1 ZINC000584610721 358273726 /nfs/dbraw/zinc/27/37/26/358273726.db2.gz LFUVRXKJANNGTA-LLVKDONJSA-N 0 0 220.341 2.406 10 0 BEAERN COC(=O)c1nc(Cl)cc2cc[nH]c21 ZINC000584619739 358286012 /nfs/dbraw/zinc/28/60/12/358286012.db2.gz ADMOUWBOQGDEIU-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN COc1cc(-c2nc(C)c(C)n2O)ccc1O ZINC000584619909 358286799 /nfs/dbraw/zinc/28/67/99/358286799.db2.gz HMNZXEVYWSJXCX-UHFFFAOYSA-N 0 0 234.255 2.118 10 0 BEAERN COc1cc2cc3n(c2cc1C)CC[C@@H]3O ZINC000584620093 358286802 /nfs/dbraw/zinc/28/68/02/358286802.db2.gz HGGLQEWUFPGYHX-LBPRGKRZSA-N 0 0 217.268 2.395 10 0 BEAERN CCOC(=O)C[C@]1(C)OC(=O)[C@@H]2CCCC[C@H]21 ZINC000584619926 358286937 /nfs/dbraw/zinc/28/69/37/358286937.db2.gz IHSYFWPFMWNZED-BREBYQMCSA-N 0 0 240.299 2.062 10 0 BEAERN Cc1cc(C(=O)N2CCC[C@@H]2C)c(=O)[nH]c1C ZINC000584621675 358289133 /nfs/dbraw/zinc/28/91/33/358289133.db2.gz BLJKSXCGVHMQLB-VIFPVBQESA-N 0 0 234.299 2.029 10 0 BEAERN O=c1cc[nH]c([C@H](O)c2ccc(F)cc2)c1 ZINC000584621892 358290075 /nfs/dbraw/zinc/29/00/75/358290075.db2.gz UUBSYDIKCMXGTM-GFCCVEGCSA-N 0 0 219.215 2.008 10 0 BEAERN Clc1cc(CCC2OCCCO2)ccn1 ZINC000584624604 358293090 /nfs/dbraw/zinc/29/30/90/358293090.db2.gz KGHXCZCHANNEMZ-UHFFFAOYSA-N 0 0 227.691 2.431 10 0 BEAERN CCc1cc(NC(=O)[C@@H]2CCC[C@H]2C)n[nH]1 ZINC000230183012 491127965 /nfs/dbraw/zinc/12/79/65/491127965.db2.gz KRVFMURGPCTNAC-PSASIEDQSA-N 0 0 221.304 2.347 10 0 BEAERN CC1(C)C(=O)Nc2cc(-c3c[nH]cn3)ccc21 ZINC000584625614 358294739 /nfs/dbraw/zinc/29/47/39/358294739.db2.gz LFRVEEHXZWZBSW-UHFFFAOYSA-N 0 0 227.267 2.306 10 0 BEAERN COc1cccc(-c2csc(=N)n2C)c1 ZINC000584625700 358294746 /nfs/dbraw/zinc/29/47/46/358294746.db2.gz ZMKOKQSOPLBCLC-UHFFFAOYSA-N 0 0 220.297 2.242 10 0 BEAERN CCC(F)(F)Oc1ccc(C(=O)OC)nc1 ZINC000584630139 358299764 /nfs/dbraw/zinc/29/97/64/358299764.db2.gz ZIHVLHHXEUVDQP-UHFFFAOYSA-N 0 0 231.198 2.250 10 0 BEAERN O=C1OCCN1/C(F)=C\c1ccccc1 ZINC000584630326 358299813 /nfs/dbraw/zinc/29/98/13/358299813.db2.gz WOKVXYSGACCAAX-NTMALXAHSA-N 0 0 207.204 2.407 10 0 BEAERN CCCNc1ccc(C2=NNC(=O)CC2)cc1 ZINC000584630451 358300010 /nfs/dbraw/zinc/30/00/10/358300010.db2.gz ATCWQZHPXALJTR-UHFFFAOYSA-N 0 0 231.299 2.123 10 0 BEAERN c1cc(-c2nnc3ccccn32)cs1 ZINC000584630817 358300858 /nfs/dbraw/zinc/30/08/58/358300858.db2.gz NSSCXFGKEPWHIZ-UHFFFAOYSA-N 0 0 201.254 2.458 10 0 BEAERN CCOC(OCC)[C@@H](F)C(F)(F)F ZINC000584630729 358301292 /nfs/dbraw/zinc/30/12/92/358301292.db2.gz SKDQOWMQALDOBR-RXMQYKEDSA-N 0 0 204.163 2.286 10 0 BEAERN FC(F)(F)[C@@]1(c2ccnc(Cl)c2)C=CNN1 ZINC000584649149 358304094 /nfs/dbraw/zinc/30/40/94/358304094.db2.gz WWTDJRLONPZVQL-QMMMGPOBSA-N 0 0 249.623 2.472 10 0 BEAERN C[S@@](=N)(=O)CCCOCc1ccccc1 ZINC000584649669 358304235 /nfs/dbraw/zinc/30/42/35/358304235.db2.gz HOIWWVVHNJSDLB-OAHLLOKOSA-N 0 0 227.329 2.270 10 0 BEAERN CC(=O)[C@@H]1C[C@@]12Cc1ccccc1C2=O ZINC000584651191 358306270 /nfs/dbraw/zinc/30/62/70/358306270.db2.gz WMDQLOOUSBNWTK-AAEUAGOBSA-N 0 0 200.237 2.021 10 0 BEAERN C[C@H]1CC[C@H]1S(=O)(=O)c1ccccc1 ZINC000584657023 358308794 /nfs/dbraw/zinc/30/87/94/358308794.db2.gz URWJAJDMICZZHB-GXSJLCMTSA-N 0 0 210.298 2.259 10 0 BEAERN C[C@H]1N(N=O)C(=O)O[C@]1(C)C(C)(C)C ZINC000584657450 358309314 /nfs/dbraw/zinc/30/93/14/358309314.db2.gz GVEPJPAVOUVCKM-MUWHJKNJSA-N 0 0 200.238 2.313 10 0 BEAERN C[C@@H]1N(N=O)C(=O)O[C@@]1(C)C(C)(C)C ZINC000584657449 358309365 /nfs/dbraw/zinc/30/93/65/358309365.db2.gz GVEPJPAVOUVCKM-IMTBSYHQSA-N 0 0 200.238 2.313 10 0 BEAERN CNc1c2ccccc2nn1-c1ccccc1 ZINC000584657569 358309437 /nfs/dbraw/zinc/30/94/37/358309437.db2.gz GMMQYBQLNLYJPH-UHFFFAOYSA-O 0 0 224.287 2.486 10 0 BEAERN CCCCCCn1cc([Si](C)(C)C)nn1 ZINC000584617351 358282085 /nfs/dbraw/zinc/28/20/85/358282085.db2.gz RBURZXDDGDIZPK-UHFFFAOYSA-N 0 0 225.412 2.404 10 0 BEAERN CCc1cccc2c(C(=O)C(=O)N(C)C)c[nH]c21 ZINC000584618340 358284343 /nfs/dbraw/zinc/28/43/43/358284343.db2.gz GIUFSLNNFXBJOP-UHFFFAOYSA-N 0 0 244.294 2.001 10 0 BEAERN Cc1cn(C2(C(=O)[O-])CCC(F)(F)CC2)cn1 ZINC000584647413 358332283 /nfs/dbraw/zinc/33/22/83/358332283.db2.gz SLZITZKHAGJYKN-UHFFFAOYSA-N 0 0 244.241 2.181 10 0 BEAERN COC(=O)/C=C/c1ccc(N)cc1Cl ZINC000225728822 358332289 /nfs/dbraw/zinc/33/22/89/358332289.db2.gz SIZZPPSIBNYYGJ-HWKANZROSA-N 0 0 211.648 2.108 10 0 BEAERN CCn1nc2c(cc1=O)CCCc1ccccc1-2 ZINC000584632415 358315445 /nfs/dbraw/zinc/31/54/45/358315445.db2.gz GMXYVKQLQGJXCJ-UHFFFAOYSA-N 0 0 240.306 2.419 10 0 BEAERN CCc1cc(C(=O)NCC2CC2)c(=O)[nH]c1CC ZINC000584632827 358316117 /nfs/dbraw/zinc/31/61/17/358316117.db2.gz OYNMVMVJFPYMNP-UHFFFAOYSA-N 0 0 248.326 2.052 10 0 BEAERN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](C)C(C)C)C1(C)C ZINC000124805073 491128633 /nfs/dbraw/zinc/12/86/33/491128633.db2.gz CZOXESJTBAJTHN-ZMLRMANQSA-N 0 0 239.359 2.398 10 0 BEAERN CCCCNC(=O)c1ccc(C2(C)CC2)[nH]c1=O ZINC000584633870 358317975 /nfs/dbraw/zinc/31/79/75/358317975.db2.gz HGBFZXZDXAGODF-UHFFFAOYSA-N 0 0 248.326 2.369 10 0 BEAERN CCCCNC(=O)c1cc(Cl)c(C)[nH]c1=O ZINC000584634110 358318138 /nfs/dbraw/zinc/31/81/38/358318138.db2.gz WEKDVVGMWUMFCF-UHFFFAOYSA-N 0 0 242.706 2.279 10 0 BEAERN C/C=C/CNC(=O)c1ccc(C2(C)CC2)[nH]c1=O ZINC000584634080 358318541 /nfs/dbraw/zinc/31/85/41/358318541.db2.gz RYWXROGVWPBLAV-ONEGZZNKSA-N 0 0 246.310 2.145 10 0 BEAERN Cc1cc(CO)c(Br)s1 ZINC000584635423 358319476 /nfs/dbraw/zinc/31/94/76/358319476.db2.gz ZIRDZICIIVGANO-UHFFFAOYSA-N 0 0 207.092 2.311 10 0 BEAERN COc1cc(N2CCC(=O)CC2)cc(F)c1F ZINC000584637053 358322241 /nfs/dbraw/zinc/32/22/41/358322241.db2.gz QNXHYGOPFQSTKF-UHFFFAOYSA-N 0 0 241.237 2.143 10 0 BEAERN C[Si](C)(C)CCOCc1cncnc1 ZINC000584637013 358322256 /nfs/dbraw/zinc/32/22/56/358322256.db2.gz GCJURBHLBFYFOC-UHFFFAOYSA-N 0 0 210.353 2.331 10 0 BEAERN COc1cc(OC)cc([C@@H]2N=NC(=O)O2)c1 ZINC000584637305 358322797 /nfs/dbraw/zinc/32/27/97/358322797.db2.gz UPGZVHKMTCSKQA-SECBINFHSA-N 0 0 222.200 2.305 10 0 BEAERN CC(C)CCN1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000584638468 358323926 /nfs/dbraw/zinc/32/39/26/358323926.db2.gz ACUIXYNWTNRCGI-HUUCEWRRSA-N 0 0 249.354 2.424 10 0 BEAERN COc1ccc(Cl)c2ccc[n+]([O-])c12 ZINC000584638405 358323975 /nfs/dbraw/zinc/32/39/75/358323975.db2.gz YUWBQHMULGEXLK-UHFFFAOYSA-N 0 0 209.632 2.135 10 0 BEAERN COc1ccc(SC[C@@H]2CCCO2)nc1 ZINC000584638903 358324703 /nfs/dbraw/zinc/32/47/03/358324703.db2.gz TXWRUWLKGNSECW-JTQLQIEISA-N 0 0 225.313 2.361 10 0 BEAERN CCC[C@@H](O)Cc1nc([C@H]2CC2(C)C)no1 ZINC000230933818 491131038 /nfs/dbraw/zinc/13/10/38/491131038.db2.gz IRBVHPKEMYJIKS-RKDXNWHRSA-N 0 0 224.304 2.287 10 0 BEAERN CCCCC[C@@H](O)CCC(=O)OCC ZINC000043372633 358374647 /nfs/dbraw/zinc/37/46/47/358374647.db2.gz GVQQXUANWIIBOL-SNVBAGLBSA-N 0 0 202.294 2.271 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)Cc1ccccc1N ZINC000228508244 358377119 /nfs/dbraw/zinc/37/71/19/358377119.db2.gz BEXFONIDTKINKV-WCQYABFASA-N 0 0 232.327 2.116 10 0 BEAERN OCC(CO)c1ccc(-c2ccccc2)cc1 ZINC000044198925 358404673 /nfs/dbraw/zinc/40/46/73/358404673.db2.gz YFZWVBSWRQUWDR-UHFFFAOYSA-N 0 0 228.291 2.422 10 0 BEAERN CCOC[C@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC000044682357 358392571 /nfs/dbraw/zinc/39/25/71/358392571.db2.gz INKBXNTYSZLBSK-JTQLQIEISA-N 0 0 246.310 2.323 10 0 BEAERN CCc1nc(C)cc(N2CCC[C@@H]2CCCO)n1 ZINC000310778158 358445406 /nfs/dbraw/zinc/44/54/06/358445406.db2.gz WLHLNIRTHRKCML-GFCCVEGCSA-N 0 0 249.358 2.089 10 0 BEAERN CC(C)CC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000126713026 358553697 /nfs/dbraw/zinc/55/36/97/358553697.db2.gz IPPZMBHGQVWNHE-SRVKXCTJSA-N 0 0 227.348 2.495 10 0 BEAERN C[C@@H]1CCC[N@H+](C2CCCC2)[C@H]1C(=O)[O-] ZINC000300227889 358570282 /nfs/dbraw/zinc/57/02/82/358570282.db2.gz HLCSYCPBHPNBHN-MWLCHTKSSA-N 0 0 211.305 2.114 10 0 BEAERN CC[C@@H](Nc1ccnc(C(N)=O)c1)C(C)C ZINC000042590958 358527446 /nfs/dbraw/zinc/52/74/46/358527446.db2.gz NNEKOLDRRDNJJN-SNVBAGLBSA-N 0 0 221.304 2.027 10 0 BEAERN CC[C@H](Nc1ncnc2c1cnn2C)C(C)C ZINC000042591233 358527658 /nfs/dbraw/zinc/52/76/58/358527658.db2.gz ZFSNTXVPWCWIDL-JTQLQIEISA-N 0 0 233.319 2.210 10 0 BEAERN COC(=O)c1coc(CNc2cnccc2C)c1 ZINC000130809297 358647698 /nfs/dbraw/zinc/64/76/98/358647698.db2.gz VVLKWWVTQPQAEK-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN CC(C)CCC(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000130882855 358650698 /nfs/dbraw/zinc/65/06/98/358650698.db2.gz ABFNMXUVFVPASR-NEPJUHHUSA-N 0 0 227.348 2.232 10 0 BEAERN O=C(NC[C@H]1CC=CCC1)Nc1nncs1 ZINC000049283630 358679869 /nfs/dbraw/zinc/67/98/69/358679869.db2.gz JCXXDJRELKHDLA-QMMMGPOBSA-N 0 0 238.316 2.016 10 0 BEAERN COCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000131599713 358684610 /nfs/dbraw/zinc/68/46/10/358684610.db2.gz IYRCYULZFPOBNA-MFKMUULPSA-N 0 0 249.310 2.339 10 0 BEAERN COc1cccc(F)c1[C@@H](C)[NH2+]CC[C@H](C)O ZINC000135146256 358822437 /nfs/dbraw/zinc/82/24/37/358822437.db2.gz VIAAQOOLMWWWGB-VHSXEESVSA-N 0 0 241.306 2.256 10 0 BEAERN CC[C@@H](C)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134247641 358784917 /nfs/dbraw/zinc/78/49/17/358784917.db2.gz SIZUSJXBQALHPY-NXEZZACHSA-N 0 0 235.331 2.087 10 0 BEAERN CC(C)(C)CC(=O)N1CCC[C@H]1CCCO ZINC000052757950 358791369 /nfs/dbraw/zinc/79/13/69/358791369.db2.gz GZCPBWJOUZKPQA-NSHDSACASA-N 0 0 227.348 2.186 10 0 BEAERN CCCCC[S@](=O)Cc1nccn1CC ZINC000180530637 366496813 /nfs/dbraw/zinc/49/68/13/366496813.db2.gz KDOHQPKNODIAAA-HNNXBMFYSA-N 0 0 228.361 2.342 10 0 BEAERN C[C@@H](C(=O)[O-])N(C)c1cc[nH+]c2ccccc21 ZINC000054054637 358849574 /nfs/dbraw/zinc/84/95/74/358849574.db2.gz DYTNLIWWHKGJRT-VIFPVBQESA-N 0 0 230.267 2.144 10 0 BEAERN CCCCC(=O)N[C@H]1COc2ccccc21 ZINC000058725895 358913614 /nfs/dbraw/zinc/91/36/14/358913614.db2.gz CNFCBOKSLBOSAT-NSHDSACASA-N 0 0 219.284 2.427 10 0 BEAERN Cc1c(Cl)nc(-c2cn[nH]c2)nc1Cl ZINC000306152338 358914461 /nfs/dbraw/zinc/91/44/61/358914461.db2.gz ABYFVIHTEIVQLZ-UHFFFAOYSA-N 0 0 229.070 2.482 10 0 BEAERN COC[C@@H](C)Nc1csc(Cl)n1 ZINC000306151527 358917155 /nfs/dbraw/zinc/91/71/55/358917155.db2.gz GXCWZTATJCEMKC-RXMQYKEDSA-N 0 0 206.698 2.243 10 0 BEAERN O=c1cc[nH]c2ccc(OC(F)F)cc12 ZINC000035731112 358918050 /nfs/dbraw/zinc/91/80/50/358918050.db2.gz XMXIESNDLPBKFZ-UHFFFAOYSA-N 0 0 211.167 2.130 10 0 BEAERN COC[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000056922080 358901294 /nfs/dbraw/zinc/90/12/94/358901294.db2.gz HILQWCWUOSSADD-CQSZACIVSA-N 0 0 247.338 2.114 10 0 BEAERN C[C@@H]1OCC[C@H]1Sc1ccnc(F)c1 ZINC000300336317 358962478 /nfs/dbraw/zinc/96/24/78/358962478.db2.gz JEGZBLXLCQJMGJ-IONNQARKSA-N 0 0 213.277 2.490 10 0 BEAERN C[C@@H]1OCC[C@@H]1S[C@H]1CCCC1=O ZINC000300338498 358963132 /nfs/dbraw/zinc/96/31/32/358963132.db2.gz RLFCRTNXRCYYCN-HGNGGELXSA-N 0 0 200.303 2.019 10 0 BEAERN Nc1noc(-c2ccc(F)cn2)c1Cl ZINC000130232472 358968382 /nfs/dbraw/zinc/96/83/82/358968382.db2.gz IWYCXWYPHPIKHK-UHFFFAOYSA-N 0 0 213.599 2.111 10 0 BEAERN CC[C@@H]1OCC[C@@H]1c1nnc(Cl)o1 ZINC000300370465 358977439 /nfs/dbraw/zinc/97/74/39/358977439.db2.gz DIXDPHTYKINTDC-WDSKDSINSA-N 0 0 202.641 2.006 10 0 BEAERN CCc1occc1[C@H](N)c1ccsn1 ZINC000306156882 358947834 /nfs/dbraw/zinc/94/78/34/358947834.db2.gz CTDDUFFJLQYOIK-JTQLQIEISA-N 0 0 208.286 2.347 10 0 BEAERN CC1(Nc2cc(Br)ncn2)CC1 ZINC000160825662 358952412 /nfs/dbraw/zinc/95/24/12/358952412.db2.gz DHUDWBCLAHVOJK-UHFFFAOYSA-N 0 0 228.093 2.204 10 0 BEAERN COc1ncc([C@@H]2NC[C@@H](C)CS2)s1 ZINC000306158099 358953254 /nfs/dbraw/zinc/95/32/54/358953254.db2.gz DECCUPOPWKMGFQ-HTRCEHHLSA-N 0 0 230.358 2.123 10 0 BEAERN O[C@H](c1ccsn1)c1ncccc1Cl ZINC000306158128 358953331 /nfs/dbraw/zinc/95/33/31/358953331.db2.gz DHJGCCTXDXTVCZ-SECBINFHSA-N 0 0 226.688 2.273 10 0 BEAERN CCCCN(CCOC)C(=O)N[C@@H](C)C(C)C ZINC000069381185 359029856 /nfs/dbraw/zinc/02/98/56/359029856.db2.gz ZHKIDJIQURDQGW-LBPRGKRZSA-N 0 0 244.379 2.489 10 0 BEAERN c1ccc2c(c1)OC[C@@H]2NCc1cccnc1 ZINC000070070252 359040028 /nfs/dbraw/zinc/04/00/28/359040028.db2.gz DRVIXWKXQJWGGM-ZDUSSCGKSA-N 0 0 226.279 2.305 10 0 BEAERN OC[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000306171965 358981042 /nfs/dbraw/zinc/98/10/42/358981042.db2.gz ASFOBJIDPFWHFP-QMMMGPOBSA-N 0 0 222.071 2.006 10 0 BEAERN C[C@H]1SCC[C@H]1NC1N=NC(=S)S1 ZINC000306179424 358992143 /nfs/dbraw/zinc/99/21/43/358992143.db2.gz GYIBDVVLBXIJNI-RFZPGFLSSA-N 0 0 233.387 2.133 10 0 BEAERN CSC1([C@H](O)C2CCOCC2)CCC1 ZINC000306187641 359002549 /nfs/dbraw/zinc/00/25/49/359002549.db2.gz AHKRGAKQRXNMHE-SNVBAGLBSA-N 0 0 216.346 2.060 10 0 BEAERN CC(C)C(=O)N1CCC[C@H]1c1nccs1 ZINC000074909125 359134407 /nfs/dbraw/zinc/13/44/07/359134407.db2.gz SRRKCTQIUKBFKH-VIFPVBQESA-N 0 0 224.329 2.463 10 0 BEAERN CCC[C@H]1C[C@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000075374038 359143616 /nfs/dbraw/zinc/14/36/16/359143616.db2.gz ZTLPWZPJOOIIFZ-JOYOIKCWSA-N 0 0 243.310 2.481 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000247096474 359194150 /nfs/dbraw/zinc/19/41/50/359194150.db2.gz WUSXSLUYDGKIEN-JLLWLGSASA-N 0 0 233.315 2.119 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000246744773 359161005 /nfs/dbraw/zinc/16/10/05/359161005.db2.gz RHGJYJQMYAOSBK-WZRBSPASSA-N 0 0 245.322 2.467 10 0 BEAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)c1 ZINC000247105311 359195381 /nfs/dbraw/zinc/19/53/81/359195381.db2.gz IPBSVERNNHVECR-JHJVBQTASA-N 0 0 247.342 2.011 10 0 BEAERN CCC[C@H](C)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000246908969 359174707 /nfs/dbraw/zinc/17/47/07/359174707.db2.gz HPGCOZGHBTXCBO-YNEHKIRRSA-N 0 0 241.375 2.480 10 0 BEAERN COC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000247264198 359206592 /nfs/dbraw/zinc/20/65/92/359206592.db2.gz YXSKNFIKIUREGE-HBNTYKKESA-N 0 0 245.388 2.059 10 0 BEAERN CC[C@@H]1CN(C(=O)N[C@H](C)C(C)C)C[C@H](C)O1 ZINC000247484581 359224055 /nfs/dbraw/zinc/22/40/55/359224055.db2.gz KIIUEAFKPGXGEY-QJPTWQEYSA-N 0 0 242.363 2.240 10 0 BEAERN COc1ncc(NCc2ccccc2)cn1 ZINC000306212288 359306162 /nfs/dbraw/zinc/30/61/62/359306162.db2.gz RQGIADPHVAICQX-UHFFFAOYSA-N 0 0 215.256 2.097 10 0 BEAERN Cc1c(Cl)nc(CN2CCC2)nc1Cl ZINC000306212373 359306444 /nfs/dbraw/zinc/30/64/44/359306444.db2.gz VMHJZRBSGPZIFO-UHFFFAOYSA-N 0 0 232.114 2.298 10 0 BEAERN Brc1cc(CC[C@@H]2CO2)co1 ZINC000306213594 359307092 /nfs/dbraw/zinc/30/70/92/359307092.db2.gz UXYRTWAXBZWZLF-SSDOTTSWSA-N 0 0 217.062 2.374 10 0 BEAERN C[S@@](=O)Cc1cc(Cl)cc(Cl)c1N ZINC000306228189 359361689 /nfs/dbraw/zinc/36/16/89/359361689.db2.gz HXVRGERNKIBNAT-CYBMUJFWSA-N 0 0 238.139 2.454 10 0 BEAERN C[C@H]1SCCS[C@@H]1c1nccc(C=O)n1 ZINC000228183036 359362305 /nfs/dbraw/zinc/36/23/05/359362305.db2.gz UWFGQNZZAZKDDB-APPZFPTMSA-N 0 0 240.353 2.199 10 0 BEAERN CN(C)C(=[NH2+])c1cc(Br)ccc1[O-] ZINC000306219697 359336093 /nfs/dbraw/zinc/33/60/93/359336093.db2.gz SZVPHURHCUETJK-UHFFFAOYSA-N 0 0 243.104 2.042 10 0 BEAERN CC[C@@H]1CC[C@](O)(Cc2csnn2)C1 ZINC000306220889 359346440 /nfs/dbraw/zinc/34/64/40/359346440.db2.gz IOEZTDQKAHDVTH-PSASIEDQSA-N 0 0 212.318 2.022 10 0 BEAERN Nc1c2ncsc2ccc1N1CCC1 ZINC000306224843 359349952 /nfs/dbraw/zinc/34/99/52/359349952.db2.gz LDUYMQREUMMFLK-UHFFFAOYSA-N 0 0 205.286 2.089 10 0 BEAERN O=C(CC1CCCCCC1)NCC1CC(O)C1 ZINC000162093964 359352226 /nfs/dbraw/zinc/35/22/26/359352226.db2.gz HUAHENKSSAVDPO-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN OC[C@H](NO)c1c(Cl)cccc1Cl ZINC000306241206 359419908 /nfs/dbraw/zinc/41/99/08/359419908.db2.gz UQVYXVUPZODACD-ZETCQYMHSA-N 0 0 222.071 2.006 10 0 BEAERN Clc1ccc(S[C@@H]2CCCO2)nn1 ZINC000306244630 359431815 /nfs/dbraw/zinc/43/18/15/359431815.db2.gz NDKUWPUORHVWOZ-MRVPVSSYSA-N 0 0 216.693 2.359 10 0 BEAERN C[C@@]1(O)CCC[C@]1(C)Sc1ncc[nH]1 ZINC000306250237 359448249 /nfs/dbraw/zinc/44/82/49/359448249.db2.gz YOUSEIJOQRKWMF-ZJUUUORDSA-N 0 0 212.318 2.195 10 0 BEAERN O=C1NCC[C@@H]1Cc1sccc1Cl ZINC000306254385 359465370 /nfs/dbraw/zinc/46/53/70/359465370.db2.gz PEGZKVUGMSCRHA-ZCFIWIBFSA-N 0 0 215.705 2.080 10 0 BEAERN CSC1(c2nc(C)sc2N)CC1 ZINC000306257702 359472562 /nfs/dbraw/zinc/47/25/62/359472562.db2.gz QSKQFBPBAZEANG-UHFFFAOYSA-N 0 0 200.332 2.386 10 0 BEAERN Nc1ncc(Cl)cc1-c1cscn1 ZINC000306271462 359503875 /nfs/dbraw/zinc/50/38/75/359503875.db2.gz SPJXHSPSWDCSBL-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN Cc1nc(-c2nncn2C(C)C)cs1 ZINC000228229075 359504018 /nfs/dbraw/zinc/50/40/18/359504018.db2.gz QCXUEZSOGJZZBG-UHFFFAOYSA-N 0 0 208.290 2.291 10 0 BEAERN N[C@@H](c1cscn1)c1ccc(Cl)o1 ZINC000306283685 359516958 /nfs/dbraw/zinc/51/69/58/359516958.db2.gz CITFJXKEVJSFBW-QMMMGPOBSA-N 0 0 214.677 2.438 10 0 BEAERN C[C@@H]([C@H](O)c1cnc(N)s1)C(C)(C)C ZINC000306299790 359547796 /nfs/dbraw/zinc/54/77/96/359547796.db2.gz FGAYQPSKGMIVIH-XPUUQOCRSA-N 0 0 214.334 2.441 10 0 BEAERN C[Si](C)(C)C[C@]1(CO)CCCCO1 ZINC000306301252 359580207 /nfs/dbraw/zinc/58/02/07/359580207.db2.gz GFOXVCDOUVSHRM-SNVBAGLBSA-N 0 0 202.370 2.256 10 0 BEAERN Fc1ccc(NC2CSC2)cc1F ZINC000306309195 359590644 /nfs/dbraw/zinc/59/06/44/359590644.db2.gz HWMPGEMCGYZWJQ-UHFFFAOYSA-N 0 0 201.241 2.492 10 0 BEAERN CCCc1nsc(N2CCSC2)n1 ZINC000306321411 359609195 /nfs/dbraw/zinc/60/91/95/359609195.db2.gz BWOJBLLWMMNSPO-UHFFFAOYSA-N 0 0 215.347 2.001 10 0 BEAERN C[C@H]([C@@H]1[NH2+][C@@H](C(=O)[O-])CCS1)C(C)(C)C ZINC000306321741 359609404 /nfs/dbraw/zinc/60/94/04/359609404.db2.gz UAOCXGRRICWKIC-IWSPIJDZSA-N 0 0 231.361 2.174 10 0 BEAERN COC1(c2nc(C=O)c[nH]2)CCCCC1 ZINC000160988233 359636849 /nfs/dbraw/zinc/63/68/49/359636849.db2.gz HHRVEWHIYHAMOL-UHFFFAOYSA-N 0 0 208.261 2.028 10 0 BEAERN CO[C@@H]1CCN(c2csc(Cl)n2)C1 ZINC000306353544 359681419 /nfs/dbraw/zinc/68/14/19/359681419.db2.gz AXPQDERMMPECSW-ZCFIWIBFSA-N 0 0 218.709 2.022 10 0 BEAERN C[C@@](O)(C[C@@H]1CCCC1=O)C(F)(F)F ZINC000306358001 359684147 /nfs/dbraw/zinc/68/41/47/359684147.db2.gz XDLWIJLVWYMHLL-POYBYMJQSA-N 0 0 210.195 2.059 10 0 BEAERN CS(C)(=O)=Nc1cccc(N)c1Cl ZINC000306359369 359685611 /nfs/dbraw/zinc/68/56/11/359685611.db2.gz BWQAWYYSVLJJIF-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN O=C(c1cccc(Cl)c1)c1ccncn1 ZINC000069638883 359689050 /nfs/dbraw/zinc/68/90/50/359689050.db2.gz MJUQEVPFZBGWLO-UHFFFAOYSA-N 0 0 218.643 2.361 10 0 BEAERN CSC[C@H](O)c1cccc(F)c1F ZINC000069640642 359690618 /nfs/dbraw/zinc/69/06/18/359690618.db2.gz RRIIDSFLDBMESC-QMMMGPOBSA-N 0 0 204.241 2.361 10 0 BEAERN Cc1csc(N[C@H]2CCC[C@@H]2CO)n1 ZINC000231323005 359776146 /nfs/dbraw/zinc/77/61/46/359776146.db2.gz DJHDKEXBUIAJIR-BDAKNGLRSA-N 0 0 212.318 2.024 10 0 BEAERN FC1(F)CC[C@H](Nc2ncns2)C1 ZINC000306400909 359784252 /nfs/dbraw/zinc/78/42/52/359784252.db2.gz OAOSRANUJYHEMQ-YFKPBYRVSA-N 0 0 205.233 2.138 10 0 BEAERN CS(C)(=O)=Nc1ccc(N)cc1Cl ZINC000306394731 359760509 /nfs/dbraw/zinc/76/05/09/359760509.db2.gz GHXYAJZOSVFSJK-UHFFFAOYSA-N 0 0 218.709 2.281 10 0 BEAERN C[C@H](O)c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000306393907 359760771 /nfs/dbraw/zinc/76/07/71/359760771.db2.gz FFZFPEPKFFERGY-BYPYZUCNSA-N 0 0 214.627 2.409 10 0 BEAERN C[C@]1(Nc2ncncc2Cl)CCCOC1 ZINC000309113429 491144981 /nfs/dbraw/zinc/14/49/81/491144981.db2.gz KMUTZMVWSRLYCS-JTQLQIEISA-N 0 0 227.695 2.111 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)[C@@H](C)C2)O1 ZINC000245920277 325533575 /nfs/dbraw/zinc/53/35/75/325533575.db2.gz NSCOMJKIGZCJAN-WRWGMCAJSA-N 0 0 225.332 2.058 10 0 BEAERN CSc1noc([C@H]2CCCCO2)n1 ZINC000306428838 359880593 /nfs/dbraw/zinc/88/05/93/359880593.db2.gz AIHYDAZRRYXKMS-ZCFIWIBFSA-N 0 0 200.263 2.033 10 0 BEAERN Nc1ccc(N[C@@H]2CCSC2)c(F)c1 ZINC000231343980 359858448 /nfs/dbraw/zinc/85/84/48/359858448.db2.gz VBTAPYPMEYQKCY-MRVPVSSYSA-N 0 0 212.293 2.325 10 0 BEAERN CCO[C@H]1C[C@H](Nc2cnn(C)c2)C12CCC2 ZINC000087709400 359924072 /nfs/dbraw/zinc/92/40/72/359924072.db2.gz BWIFZTNMKXKRBP-RYUDHWBXSA-N 0 0 235.331 2.180 10 0 BEAERN CC(C)Cn1ccnc(NCCC2CC2)c1=O ZINC000088459512 359955765 /nfs/dbraw/zinc/95/57/65/359955765.db2.gz FGHXVPAFPMSLOE-UHFFFAOYSA-N 0 0 235.331 2.111 10 0 BEAERN COc1ccc(N2CCC[C@@H](C(C)=O)C2=O)cc1 ZINC000536956966 360008057 /nfs/dbraw/zinc/00/80/57/360008057.db2.gz AQISXGVPOJKKJV-ZDUSSCGKSA-N 0 0 247.294 2.027 10 0 BEAERN C[C@@H]1CCN(C2=NC(=O)CS2)C[C@H]1C ZINC000306449881 360018762 /nfs/dbraw/zinc/01/87/62/360018762.db2.gz YMWCTIXHKYLMDK-HTQZYQBOSA-N 0 0 212.318 2.331 10 0 BEAERN Clc1cc(N[C@H]2CCSC2)ncn1 ZINC000231376721 360032659 /nfs/dbraw/zinc/03/26/59/360032659.db2.gz WFIZLSWWKIPJND-LURJTMIESA-N 0 0 215.709 2.047 10 0 BEAERN O=S1(=Nc2ccc(F)nc2)CCCC1 ZINC000536956756 360007610 /nfs/dbraw/zinc/00/76/10/360007610.db2.gz AXHAYGBNYXPYNL-UHFFFAOYSA-N 0 0 214.265 2.114 10 0 BEAERN CCCSCc1nnc(C2CC2)n1C ZINC000091028483 360099485 /nfs/dbraw/zinc/09/94/85/360099485.db2.gz VJKNQGLZVRZZEY-UHFFFAOYSA-N 0 0 211.334 2.336 10 0 BEAERN N=c1sccn1C[C@H]1CC1(Cl)Cl ZINC000306459198 360057312 /nfs/dbraw/zinc/05/73/12/360057312.db2.gz DJBPRRMIAUXZJH-RXMQYKEDSA-N 0 0 223.128 2.223 10 0 BEAERN C[C@H]1CC[C@@H]1NC(=O)C1(Br)CCC1 ZINC000306464219 360076629 /nfs/dbraw/zinc/07/66/29/360076629.db2.gz CIMDOKJXKYNCEP-YUMQZZPRSA-N 0 0 246.148 2.219 10 0 BEAERN COc1cc([C@](C)(O)[C@H]2C[C@@H]2C)sn1 ZINC000306482770 360151172 /nfs/dbraw/zinc/15/11/72/360151172.db2.gz KYPSZFIWFDAQTJ-MHYGZLNHSA-N 0 0 213.302 2.015 10 0 BEAERN Cc1csc(NC[C@@](C)(O)C2CC2)n1 ZINC000306477979 360124816 /nfs/dbraw/zinc/12/48/16/360124816.db2.gz YYQXCTVGJQATQF-SNVBAGLBSA-N 0 0 212.318 2.024 10 0 BEAERN c1csc([C@H]2CN(Cc3cc[nH]c3)CCO2)n1 ZINC000092831703 360202628 /nfs/dbraw/zinc/20/26/28/360202628.db2.gz GUNVNSMBXFLMRA-LLVKDONJSA-N 0 0 249.339 2.045 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCC1(C)C ZINC000246632519 325574109 /nfs/dbraw/zinc/57/41/09/325574109.db2.gz NDNSARXHWHGWPF-UTLUCORTSA-N 0 0 210.321 2.273 10 0 BEAERN C[C@@H]1CC[C@H](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246744129 325578042 /nfs/dbraw/zinc/57/80/42/325578042.db2.gz VCJCMVRSRIOUPY-VOAKCMCISA-N 0 0 239.359 2.449 10 0 BEAERN Cc1nsc(NCC2(F)CCC2)n1 ZINC000306516542 360340283 /nfs/dbraw/zinc/34/02/83/360340283.db2.gz YGOIQDFXWBMAQB-UHFFFAOYSA-N 0 0 201.270 2.151 10 0 BEAERN NC(=O)c1ccc(OCc2cccs2)c(N)c1 ZINC000049584519 181300682 /nfs/dbraw/zinc/30/06/82/181300682.db2.gz YWSVHGJINZEKBO-UHFFFAOYSA-N 0 0 248.307 2.008 10 0 BEAERN Clc1nnc(NCc2cc[nH]c2)s1 ZINC000306520274 360344667 /nfs/dbraw/zinc/34/46/67/360344667.db2.gz JVBJZDAFMYOCLU-UHFFFAOYSA-N 0 0 214.681 2.132 10 0 BEAERN CC[C@@H]1[C@@H](C)CCN1C1N=NC(=S)S1 ZINC000306524652 360369476 /nfs/dbraw/zinc/36/94/76/360369476.db2.gz ZLZIGWYMNQMUMD-NKWVEPMBSA-N 0 0 229.374 2.452 10 0 BEAERN NC(=O)c1c(F)ccc(C(F)F)c1F ZINC000306524592 360369866 /nfs/dbraw/zinc/36/98/66/360369866.db2.gz ZAFSLUOGVMSRAV-UHFFFAOYSA-N 0 0 207.126 2.001 10 0 BEAERN COc1cc([C@H](O)C(F)(F)Cl)sn1 ZINC000306539395 360400249 /nfs/dbraw/zinc/40/02/49/360400249.db2.gz NENDQIYVTMRTIB-YFKPBYRVSA-N 0 0 229.635 2.017 10 0 BEAERN CC[C@H](O)c1coc(Br)c1 ZINC000306529021 360377737 /nfs/dbraw/zinc/37/77/37/360377737.db2.gz BXZUMSRIGIZBNW-LURJTMIESA-N 0 0 205.051 2.486 10 0 BEAERN CCC1(c2nnc3ccc(Cl)nn32)CC1 ZINC000306535212 360397576 /nfs/dbraw/zinc/39/75/76/360397576.db2.gz FOQUHMVSNDCNRM-UHFFFAOYSA-N 0 0 222.679 2.219 10 0 BEAERN CSC[C@H](C)c1nc(Br)no1 ZINC000300746748 360436620 /nfs/dbraw/zinc/43/66/20/360436620.db2.gz DFAUJQLAXNLXAA-BYPYZUCNSA-N 0 0 237.122 2.299 10 0 BEAERN C[C@H]1CCN(c2cc(Cl)ncn2)[C@H]1C ZINC000306563341 360441020 /nfs/dbraw/zinc/44/10/20/360441020.db2.gz VNRNECRGIADEPJ-YUMQZZPRSA-N 0 0 211.696 2.365 10 0 BEAERN OC1(Cc2ccc(F)c(Cl)c2)CSC1 ZINC000306565019 360444104 /nfs/dbraw/zinc/44/41/04/360444104.db2.gz FEFIFCSTTICMMO-UHFFFAOYSA-N 0 0 232.707 2.500 10 0 BEAERN NC(=S)c1c(Cl)cccc1NCCF ZINC000306565796 360444638 /nfs/dbraw/zinc/44/46/38/360444638.db2.gz RSISESHEHFTQHR-UHFFFAOYSA-N 0 0 232.711 2.356 10 0 BEAERN C[C@@H]1CCC[C@H](C[C@H](O)C(C)(C)O)C1 ZINC000306568327 360446164 /nfs/dbraw/zinc/44/61/64/360446164.db2.gz UOPHLOMWNGYFPD-VWYCJHECSA-N 0 0 200.322 2.335 10 0 BEAERN O=C(Nc1ccon1)OCc1ccccc1 ZINC000306566089 360446217 /nfs/dbraw/zinc/44/62/17/360446217.db2.gz FYPTWLLNGRVZIY-UHFFFAOYSA-N 0 0 218.212 2.423 10 0 BEAERN OCCNc1cc(F)c(F)cc1Cl ZINC000306567813 360448899 /nfs/dbraw/zinc/44/88/99/360448899.db2.gz IIZZFHPWJJXNSZ-UHFFFAOYSA-N 0 0 207.607 2.022 10 0 BEAERN Cc1nccnc1N[C@@H](C)C(F)(F)F ZINC000306538316 360404577 /nfs/dbraw/zinc/40/45/77/360404577.db2.gz JPWJKEZIBAQPNB-LURJTMIESA-N 0 0 205.183 2.148 10 0 BEAERN CCc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000614144271 363733559 /nfs/dbraw/zinc/73/35/59/363733559.db2.gz OUVSYPUJUDGCMK-ZIAGYGMSSA-N 0 0 247.338 2.282 10 0 BEAERN Clc1nccc(NC[C@H]2CCC=CO2)n1 ZINC000306539428 360405432 /nfs/dbraw/zinc/40/54/32/360405432.db2.gz NIFFRBGBVVKABM-MRVPVSSYSA-N 0 0 225.679 2.235 10 0 BEAERN CCC1(c2onc(N)c2Br)CC1 ZINC000306539591 360405601 /nfs/dbraw/zinc/40/56/01/360405601.db2.gz VFDJMHBWZRXLGP-UHFFFAOYSA-N 0 0 231.093 2.461 10 0 BEAERN COc1cc(C(=O)c2scnc2C)sn1 ZINC000306541592 360410614 /nfs/dbraw/zinc/41/06/14/360410614.db2.gz PXNNBBXSBJHIBE-UHFFFAOYSA-N 0 0 240.309 2.148 10 0 BEAERN C[C@@]1(C(=O)N2CCSC2)CC1(Cl)Cl ZINC000306541977 360412789 /nfs/dbraw/zinc/41/27/89/360412789.db2.gz UNSIZJMUFPZSTB-ZETCQYMHSA-N 0 0 240.155 2.103 10 0 BEAERN O=C1CSC(c2cccc(Cl)c2F)=N1 ZINC000306545915 360414382 /nfs/dbraw/zinc/41/43/82/360414382.db2.gz WJJYWQGHTUXXJW-UHFFFAOYSA-N 0 0 229.663 2.499 10 0 BEAERN COc1cc([C@@]2(O)CCC[C@@H]2C)sn1 ZINC000306546355 360416042 /nfs/dbraw/zinc/41/60/42/360416042.db2.gz WPSRGUVGSXLZEN-OIBJUYFYSA-N 0 0 213.302 2.159 10 0 BEAERN Cc1cnc([C@H]2NC[C@H](C)S2)s1 ZINC000306547338 360416480 /nfs/dbraw/zinc/41/64/80/360416480.db2.gz CCYFFBHPRNDAAZ-XPUUQOCRSA-N 0 0 200.332 2.175 10 0 BEAERN COc1cc([C@]2(O)C[C@@H](C)[C@@H]2C)sn1 ZINC000306550728 360424596 /nfs/dbraw/zinc/42/45/96/360424596.db2.gz ZNKIVMYCFBSHEP-FWWHASMVSA-N 0 0 213.302 2.015 10 0 BEAERN Fc1cnc(NCCC(F)F)c(F)c1 ZINC000306551427 360424718 /nfs/dbraw/zinc/42/47/18/360424718.db2.gz AJOLHNJEJIFGBU-UHFFFAOYSA-N 0 0 208.158 2.427 10 0 BEAERN COc1cc([C@]2(O)C[C@H](C)[C@@H]2C)sn1 ZINC000306550726 360424759 /nfs/dbraw/zinc/42/47/59/360424759.db2.gz ZNKIVMYCFBSHEP-BYULHYEWSA-N 0 0 213.302 2.015 10 0 BEAERN Cc1nc([C@H](O)CC(F)(F)F)cs1 ZINC000306551679 360425808 /nfs/dbraw/zinc/42/58/08/360425808.db2.gz JXOZEVMDQSPOOL-ZCFIWIBFSA-N 0 0 211.208 2.437 10 0 BEAERN CS[C@@H]1CC[C@@H]1Nc1ncc(C)cn1 ZINC000306584877 360484908 /nfs/dbraw/zinc/48/49/08/360484908.db2.gz GVKRYICVOMDGHE-DTWKUNHWSA-N 0 0 209.318 2.091 10 0 BEAERN COC(=O)c1c(C)cc(F)c(F)c1F ZINC000306577050 360464434 /nfs/dbraw/zinc/46/44/34/360464434.db2.gz KYPUSFCLISMSPO-UHFFFAOYSA-N 0 0 204.147 2.199 10 0 BEAERN CC(C)NC(=S)N[C@@H](C)[C@H]1CC1(C)C ZINC000306578104 360466555 /nfs/dbraw/zinc/46/65/55/360466555.db2.gz LUSXGAQISQHGQK-DTWKUNHWSA-N 0 0 214.378 2.294 10 0 BEAERN Cn1ccnc1C(=O)[C@H]1CCC(F)(F)C1 ZINC000300821762 360523025 /nfs/dbraw/zinc/52/30/25/360523025.db2.gz DIFSXAQCXYUPRL-ZETCQYMHSA-N 0 0 214.215 2.038 10 0 BEAERN O=C(C[C@H]1CCC(F)(F)C1)[C@@H]1CCOC1 ZINC000300827076 360523766 /nfs/dbraw/zinc/52/37/66/360523766.db2.gz GWTMVQJOMBDFSF-RKDXNWHRSA-N 0 0 218.243 2.418 10 0 BEAERN O=C(c1cnccn1)[C@@H]1CCC(F)(F)C1 ZINC000300827435 360523988 /nfs/dbraw/zinc/52/39/88/360523988.db2.gz DWHUIOIBQSYKCI-SSDOTTSWSA-N 0 0 212.199 2.095 10 0 BEAERN COc1cc([C@@H]2CCC(=O)C2)c(F)cn1 ZINC000306591368 360506316 /nfs/dbraw/zinc/50/63/16/360506316.db2.gz VNAIAVYAIIWOHP-SSDOTTSWSA-N 0 0 209.220 2.066 10 0 BEAERN Cc1csc([C@@H](N)c2ncc(C)s2)n1 ZINC000306597723 360519599 /nfs/dbraw/zinc/51/95/99/360519599.db2.gz OTCZYYQQWGZGOQ-ZETCQYMHSA-N 0 0 225.342 2.265 10 0 BEAERN Fc1cc(Cl)nc(C(F)(F)F)n1 ZINC000306607028 360550132 /nfs/dbraw/zinc/55/01/32/360550132.db2.gz STZYFRUICKVHBQ-UHFFFAOYSA-N 0 0 200.522 2.288 10 0 BEAERN Cc1csc([C@@H](O)c2cocc2C)n1 ZINC000306610565 360615870 /nfs/dbraw/zinc/61/58/70/360615870.db2.gz AQHCWKROYFYLSJ-VIFPVBQESA-N 0 0 209.270 2.435 10 0 BEAERN NC(=O)c1ccccc1Oc1ccc(F)cc1N ZINC000019869284 181306218 /nfs/dbraw/zinc/30/62/18/181306218.db2.gz BFBHQFLRBUWSMI-UHFFFAOYSA-N 0 0 246.241 2.299 10 0 BEAERN O=Cc1ccc(Cl)c(OC(F)F)n1 ZINC000306612230 360850713 /nfs/dbraw/zinc/85/07/13/360850713.db2.gz IEIDQXAEHAFQJC-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN NC(=S)C(F)(F)c1cccc(F)c1 ZINC000068576796 181315191 /nfs/dbraw/zinc/31/51/91/181315191.db2.gz OMJZSGCVSYJLKG-UHFFFAOYSA-N 0 0 205.204 2.204 10 0 BEAERN NC(=S)C1(c2ccccc2)CCOCC1 ZINC000062783210 181315346 /nfs/dbraw/zinc/31/53/46/181315346.db2.gz REMZVXCREDAQHF-UHFFFAOYSA-N 0 0 221.325 2.021 10 0 BEAERN NC(=S)Cc1cc(F)cc(Cl)c1 ZINC000083344074 181317074 /nfs/dbraw/zinc/31/70/74/181317074.db2.gz SLCOJXBBTQRVFN-UHFFFAOYSA-N 0 0 203.669 2.308 10 0 BEAERN NC(=S)COc1cc(F)ccc1Cl ZINC000083350192 181315920 /nfs/dbraw/zinc/31/59/20/181315920.db2.gz ZXVRLKAATVRTPU-UHFFFAOYSA-N 0 0 219.668 2.144 10 0 BEAERN O[C@@H]1CCC[C@H](Nc2nnc(C3CC3)s2)C1 ZINC000309611390 491152440 /nfs/dbraw/zinc/15/24/40/491152440.db2.gz ZOXILCDWWJQQAS-DTWKUNHWSA-N 0 0 239.344 2.131 10 0 BEAERN NC(=S)CCOc1cccc(Cl)c1 ZINC000019486023 181316380 /nfs/dbraw/zinc/31/63/80/181316380.db2.gz WGDUEHZVPLPXFF-UHFFFAOYSA-N 0 0 215.705 2.395 10 0 BEAERN NC(=S)c1c[nH]c2cc(Cl)ccc12 ZINC000083346412 181320182 /nfs/dbraw/zinc/32/01/82/181320182.db2.gz PKTWPBITZDXAKC-UHFFFAOYSA-N 0 0 210.689 2.456 10 0 BEAERN NC(=S)[C@H]1CCCc2cc3c(nc21)CCC3 ZINC000039212849 181320762 /nfs/dbraw/zinc/32/07/62/181320762.db2.gz PMZXREJNLJLWMU-JTQLQIEISA-N 0 0 232.352 2.276 10 0 BEAERN OC[C@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000039602674 360981677 /nfs/dbraw/zinc/98/16/77/360981677.db2.gz BCDVRNCZMZEOBT-STQMWFEESA-N 0 0 222.284 2.263 10 0 BEAERN C[C@H]1CC(=O)c2cc(F)c(F)cc2[S@]1=O ZINC000040973266 360983218 /nfs/dbraw/zinc/98/32/18/360983218.db2.gz IHBYCBPDNHEIMJ-AANKLQPISA-N 0 0 230.235 2.047 10 0 BEAERN C[C@@H]1CC(=O)c2cc(F)c(F)cc2[S@@]1=O ZINC000040973260 360983351 /nfs/dbraw/zinc/98/33/51/360983351.db2.gz IHBYCBPDNHEIMJ-BMSCFWOVSA-N 0 0 230.235 2.047 10 0 BEAERN NC(=S)c1cc(Cl)c(N)c(Cl)c1 ZINC000083350901 181320613 /nfs/dbraw/zinc/32/06/13/181320613.db2.gz ZRBKNPYSSUZKMY-UHFFFAOYSA-N 0 0 221.112 2.210 10 0 BEAERN NC(=S)c1cc(NCc2cccs2)ccn1 ZINC000061812442 181320703 /nfs/dbraw/zinc/32/07/03/181320703.db2.gz BJXRQIHBCZJJAE-UHFFFAOYSA-N 0 0 249.364 2.389 10 0 BEAERN NC(=S)c1ccc(F)c2ccncc12 ZINC000082769359 181321049 /nfs/dbraw/zinc/32/10/49/181321049.db2.gz CUGHQXVLLJVTEH-UHFFFAOYSA-N 0 0 206.245 2.008 10 0 BEAERN NC(=S)c1ccccc1NCC1CC1 ZINC000020075848 181321864 /nfs/dbraw/zinc/32/18/64/181321864.db2.gz VGWNHLAHEFAXMM-UHFFFAOYSA-N 0 0 206.314 2.143 10 0 BEAERN O=Cc1cnc(Cl)c(OC(F)F)c1 ZINC000238524939 361139426 /nfs/dbraw/zinc/13/94/26/361139426.db2.gz MDJHVEAMMZNDQI-UHFFFAOYSA-N 0 0 207.563 2.149 10 0 BEAERN CC1(C)C(=O)N([Si](C)(C)C)[C@@H]1C1CC1 ZINC000306614283 361141792 /nfs/dbraw/zinc/14/17/92/361141792.db2.gz LSNDELJKEYRJEK-SECBINFHSA-N 0 0 211.381 2.468 10 0 BEAERN FC(F)(F)Oc1cnc(Br)cn1 ZINC000238539951 361143018 /nfs/dbraw/zinc/14/30/18/361143018.db2.gz CIBPJMXLXZEIPC-UHFFFAOYSA-N 0 0 242.982 2.138 10 0 BEAERN NC(=O)Cc1ccc(C2CCCCC2)nc1 ZINC000238559971 361149929 /nfs/dbraw/zinc/14/99/29/361149929.db2.gz JGWOYHDXUQGWPN-UHFFFAOYSA-N 0 0 218.300 2.157 10 0 BEAERN O[C@@H]1CCOc2cccc(Br)c21 ZINC000238658303 361171540 /nfs/dbraw/zinc/17/15/40/361171540.db2.gz SZDFVMPVVOFNAD-SSDOTTSWSA-N 0 0 229.073 2.265 10 0 BEAERN CC[C@H](C)[C@@H](O)c1cc(Cl)cnc1N ZINC000069943363 361173754 /nfs/dbraw/zinc/17/37/54/361173754.db2.gz KUUWLXALDJOUBU-IMTBSYHQSA-N 0 0 214.696 2.397 10 0 BEAERN O=c1cc([C@@H]2C[C@H]2c2ccccc2)[nH][nH]1 ZINC000238700799 361180472 /nfs/dbraw/zinc/18/04/72/361180472.db2.gz RBZJEPPZUOQABD-VHSXEESVSA-N 0 0 200.241 2.386 10 0 BEAERN CCn1ccnc1C(=O)c1ccsc1 ZINC000041048407 361187633 /nfs/dbraw/zinc/18/76/33/361187633.db2.gz JNYJTYYFJLOEJL-UHFFFAOYSA-N 0 0 206.270 2.196 10 0 BEAERN Cc1ccsc1-c1nc([C@H](C)[NH3+])no1 ZINC000041052320 361207800 /nfs/dbraw/zinc/20/78/00/361207800.db2.gz KVSYALQIVZXAMU-LURJTMIESA-N 0 0 209.274 2.126 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1csc(C2CC2)n1 ZINC000171048813 361232238 /nfs/dbraw/zinc/23/22/38/361232238.db2.gz LVZGYOJWHMJYRX-SVRRBLITSA-N 0 0 222.313 2.159 10 0 BEAERN CC(C)(C)[C@@H](C(=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC000306626349 361293223 /nfs/dbraw/zinc/29/32/23/361293223.db2.gz HQAUEYOPDQQDOZ-SECBINFHSA-N 0 0 213.321 2.218 10 0 BEAERN CCOC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000070242072 361489652 /nfs/dbraw/zinc/48/96/52/361489652.db2.gz VCWKFLJLPRUTSA-SSDOTTSWSA-N 0 0 225.210 2.417 10 0 BEAERN C[C@H](CC(=O)[O-])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810278 361514532 /nfs/dbraw/zinc/51/45/32/361514532.db2.gz OQVWISGFGXGBBL-GRYCIOLGSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@@H]1CCC[C@@H](C(=O)c2cnccn2)C1 ZINC000070559175 361536433 /nfs/dbraw/zinc/53/64/33/361536433.db2.gz KVARFAOUHDDGNL-NXEZZACHSA-N 0 0 204.273 2.486 10 0 BEAERN C[C@@H]1[C@H](CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000139095508 361567500 /nfs/dbraw/zinc/56/75/00/361567500.db2.gz JVJBNQGSJULIFC-YPMHNXCESA-N 0 0 233.311 2.372 10 0 BEAERN CCCc1nccn1-c1ccc(Cl)nn1 ZINC000070535666 361533805 /nfs/dbraw/zinc/53/38/05/361533805.db2.gz OTZSHTDUUJUIJL-UHFFFAOYSA-N 0 0 222.679 2.268 10 0 BEAERN CCC1N=NC(=S)N1[C@H]1CCS[C@@H]1C ZINC000306639026 361591112 /nfs/dbraw/zinc/59/11/12/361591112.db2.gz CGQBQGVGKVIKJQ-RQJHMYQMSA-N 0 0 229.374 2.196 10 0 BEAERN CCC1N=NC(=S)N1C1CC(C)(C)C1 ZINC000306640120 361593543 /nfs/dbraw/zinc/59/35/43/361593543.db2.gz OXCXPELFGCHOSH-UHFFFAOYSA-N 0 0 211.334 2.490 10 0 BEAERN CC[N@H+]([C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000037080211 361651226 /nfs/dbraw/zinc/65/12/26/361651226.db2.gz AXFCHHYYQFKZQR-GFCCVEGCSA-N 0 0 219.284 2.297 10 0 BEAERN CC(C)[NH2+][C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000070683861 361719164 /nfs/dbraw/zinc/71/91/64/361719164.db2.gz PULISGZWZRZSLK-LBPRGKRZSA-N 0 0 213.321 2.408 10 0 BEAERN O=Cc1ccc(CN2CCCSCC2)o1 ZINC000161280186 363887290 /nfs/dbraw/zinc/88/72/90/363887290.db2.gz NJDMMQUPMMNCBA-UHFFFAOYSA-N 0 0 225.313 2.031 10 0 BEAERN COc1cccc(C[C@H](N)C(F)(F)F)c1 ZINC000074080808 541312431 /nfs/dbraw/zinc/31/24/31/541312431.db2.gz PZKMALZJIUFODA-VIFPVBQESA-N 0 0 219.206 2.127 10 0 BEAERN N[C@@H](c1ncon1)c1cc(Cl)cc(Cl)c1 ZINC000037425119 364023861 /nfs/dbraw/zinc/02/38/61/364023861.db2.gz CBXVRJVBFPDTOI-MRVPVSSYSA-N 0 0 244.081 2.425 10 0 BEAERN NCC(F)(F)c1ncc(-c2ccccc2)o1 ZINC000238856154 181358120 /nfs/dbraw/zinc/35/81/20/181358120.db2.gz VCNGWLWOLSPWOD-UHFFFAOYSA-N 0 0 224.210 2.392 10 0 BEAERN CCOC(=O)C[C@H](OCC)c1ccc(N)cc1 ZINC000116390970 370767537 /nfs/dbraw/zinc/76/75/37/370767537.db2.gz IPAGVUGHCHZOBW-LBPRGKRZSA-N 0 0 237.299 2.300 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCCC1CCCC1 ZINC000170806450 364287211 /nfs/dbraw/zinc/28/72/11/364287211.db2.gz LVUQGBZGXRRRBP-GXSJLCMTSA-N 0 0 210.321 2.274 10 0 BEAERN COC(=O)c1cc(Cl)c([O-])cc1Cl ZINC000038284092 364382050 /nfs/dbraw/zinc/38/20/50/364382050.db2.gz VUOSYXHBPMMELM-UHFFFAOYSA-N 0 0 221.039 2.486 10 0 BEAERN CC1CC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000622237188 370781120 /nfs/dbraw/zinc/78/11/20/370781120.db2.gz UQSRXDKAIVYJCX-VQZRLGFTSA-N 0 0 207.317 2.195 10 0 BEAERN C[C@@]1(C(=O)Cc2ccoc2)CCCCO1 ZINC000130689762 364434883 /nfs/dbraw/zinc/43/48/83/364434883.db2.gz YEQQLKPHRBQDJB-LBPRGKRZSA-N 0 0 208.257 2.350 10 0 BEAERN Nc1ccc(Cl)cc1NC(=O)C(F)(F)F ZINC000038327739 364500446 /nfs/dbraw/zinc/50/04/46/364500446.db2.gz LZAVUQVUJMBYCA-UHFFFAOYSA-N 0 0 238.596 2.423 10 0 BEAERN Nc1ccccc1S[C@@H]1CCC[C@H]1O ZINC000037690535 364530089 /nfs/dbraw/zinc/53/00/89/364530089.db2.gz QYICOVGGESROEZ-MWLCHTKSSA-N 0 0 209.314 2.274 10 0 BEAERN C[C@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCS1 ZINC000250804364 364540533 /nfs/dbraw/zinc/54/05/33/364540533.db2.gz QGVRSBUYYJVYAN-LSCVPOLPSA-N 0 0 239.384 2.434 10 0 BEAERN c1cnc2nn3c(c2c1)NCC[C@@H]3C1CC1 ZINC000232485662 541394397 /nfs/dbraw/zinc/39/43/97/541394397.db2.gz FHOXSEQQURMAON-SNVBAGLBSA-N 0 0 214.272 2.198 10 0 BEAERN CC[C@]1(C(=O)OC)O[C@@]12CCCC2(C)C ZINC000669384232 541437331 /nfs/dbraw/zinc/43/73/31/541437331.db2.gz QNGXWMPYRHMIIE-VXGBXAGGSA-N 0 0 212.289 2.287 10 0 BEAERN COC(=O)[C@@]1(CC(C)C)OC12CC(SC)C2 ZINC000669383985 541437423 /nfs/dbraw/zinc/43/74/23/541437423.db2.gz ZJQNZTZYAHNVSK-QEWOUOOISA-N 0 0 244.356 2.239 10 0 BEAERN Clc1nc2c(c(Cl)n1)=S=CC=2 ZINC000575133896 365216990 /nfs/dbraw/zinc/21/69/90/365216990.db2.gz NYHWECSHGXIYIW-UHFFFAOYSA-N 0 0 205.069 2.182 10 0 BEAERN CC(C)c1nnc(CN2C[C@@H]3[C@H](C2)C3(C)C)n1C ZINC000172975124 365393225 /nfs/dbraw/zinc/39/32/25/365393225.db2.gz UKJBCHXPSGFCKR-PHIMTYICSA-N 0 0 248.374 2.026 10 0 BEAERN CC(=O)[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000125228892 541460605 /nfs/dbraw/zinc/46/06/05/541460605.db2.gz ZNDFVDQKGNJLDM-JTQLQIEISA-N 0 0 224.643 2.011 10 0 BEAERN CCCC[C@@H](NC1(C(C)C)CC1)C(=O)OC ZINC000339514294 365464688 /nfs/dbraw/zinc/46/46/88/365464688.db2.gz MZCOSFVEZFAZLF-LLVKDONJSA-N 0 0 227.348 2.496 10 0 BEAERN CN(C(=O)N[C@H]1COc2ccccc21)C1CCC1 ZINC000174439696 365488725 /nfs/dbraw/zinc/48/87/25/365488725.db2.gz DMVXZSCNWSDGCT-LBPRGKRZSA-N 0 0 246.310 2.314 10 0 BEAERN CN(C(=O)N[C@@H]1COc2ccccc21)C1CCC1 ZINC000174439680 365489145 /nfs/dbraw/zinc/48/91/45/365489145.db2.gz DMVXZSCNWSDGCT-GFCCVEGCSA-N 0 0 246.310 2.314 10 0 BEAERN C[C@@H]1CCC[C@H]([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)C1 ZINC000675060375 541463358 /nfs/dbraw/zinc/46/33/58/541463358.db2.gz YBUGTGKEUISHQB-NOOOWODRSA-N 0 0 225.332 2.123 10 0 BEAERN CSCC(=O)N(C)Cc1ccc(F)cc1F ZINC000043505325 541479421 /nfs/dbraw/zinc/47/94/21/541479421.db2.gz QTCVHINZRZTZAX-UHFFFAOYSA-N 0 0 245.294 2.286 10 0 BEAERN CC1CCC([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC1 ZINC000257757688 541484482 /nfs/dbraw/zinc/48/44/82/541484482.db2.gz ARQJSXXEMYSSBD-QQFIATSDSA-N 0 0 225.332 2.123 10 0 BEAERN Nc1nc(Cl)nc(-c2sccc2Cl)n1 ZINC000137364472 541491798 /nfs/dbraw/zinc/49/17/98/541491798.db2.gz OHBYCKPWLYJATL-UHFFFAOYSA-N 0 0 247.110 2.489 10 0 BEAERN Nc1ncc(/C=C/Br)s1 ZINC000685964064 541498098 /nfs/dbraw/zinc/49/80/98/541498098.db2.gz SSPJGYBGGKLOBG-OWOJBTEDSA-N 0 0 205.080 2.091 10 0 BEAERN C[C@H](O)c1cn(-c2cc(F)cc(Cl)c2)nn1 ZINC000230059340 541500624 /nfs/dbraw/zinc/50/06/24/541500624.db2.gz KJSQJFKPDUJEKL-LURJTMIESA-N 0 0 241.653 2.113 10 0 BEAERN C1CC1[C@H]1CCNc2nc(C3CCC3)nn21 ZINC000232571120 541505186 /nfs/dbraw/zinc/50/51/86/541505186.db2.gz WMHDMCVPKPONBN-SNVBAGLBSA-N 0 0 218.304 2.312 10 0 BEAERN CC[C@H]1[C@@H](C)CNc2nc(C(C)C)nn21 ZINC000234078885 541510675 /nfs/dbraw/zinc/51/06/75/541510675.db2.gz MBUPMECDYVJNFE-IUCAKERBSA-N 0 0 208.309 2.414 10 0 BEAERN CC[C@H]1[C@H](C)CNc2c3c(nn21)NCCC3 ZINC000234106102 541511089 /nfs/dbraw/zinc/51/10/89/541511089.db2.gz HOCDDZJQXCCAEZ-SCZZXKLOSA-N 0 0 220.320 2.254 10 0 BEAERN CCc1cnn2c1NCC[C@H]2C(F)(F)F ZINC000234140873 541511127 /nfs/dbraw/zinc/51/11/27/541511127.db2.gz JYNSRHBVQWDUCN-ZETCQYMHSA-N 0 0 219.210 2.365 10 0 BEAERN CCc1cnn2c1NCC[C@@H]2C(F)F ZINC000234140669 541511196 /nfs/dbraw/zinc/51/11/96/541511196.db2.gz ACCNSRSGQCWPPS-SSDOTTSWSA-N 0 0 201.220 2.067 10 0 BEAERN CC[C@@H]1[C@H](C)CNc2nc(C(C)C)nn21 ZINC000233930760 541509435 /nfs/dbraw/zinc/50/94/35/541509435.db2.gz MBUPMECDYVJNFE-RKDXNWHRSA-N 0 0 208.309 2.414 10 0 BEAERN COC(=O)[C@]1(C)O[C@]1(C)CC(C)(C)C ZINC000384767412 541515832 /nfs/dbraw/zinc/51/58/32/541515832.db2.gz OTHXUXZNIOGOBL-MNOVXSKESA-N 0 0 200.278 2.143 10 0 BEAERN CCCN(CC(F)(F)CN)C(C)(C)C ZINC000386234217 541516483 /nfs/dbraw/zinc/51/64/83/541516483.db2.gz RHZMCKGFBJTEOF-UHFFFAOYSA-N 0 0 208.296 2.091 10 0 BEAERN O=C(C=Cc1ccccc1)Nc1ccc(=O)[nH]c1 ZINC000385890309 367876355 /nfs/dbraw/zinc/87/63/55/367876355.db2.gz DCXZUPQCZGHGBZ-SOFGYWHQSA-N 0 0 240.262 2.439 10 0 BEAERN CC(C)[C@@H](C)Nc1nc2ccccc2c(=O)[nH]1 ZINC000013863549 367932022 /nfs/dbraw/zinc/93/20/22/367932022.db2.gz UGZYHLPGJANVOW-SECBINFHSA-N 0 0 231.299 2.380 10 0 BEAERN CCOC(=O)[C@@H](C)[C@@H](C#N)c1ccccc1 ZINC000075627703 367932402 /nfs/dbraw/zinc/93/24/02/367932402.db2.gz NJWSSOVRSTXGGG-CMPLNLGQSA-N 0 0 217.268 2.493 10 0 BEAERN COc1cc(OC)cc(C(C)(C)OC(N)=O)c1 ZINC000102299403 367967389 /nfs/dbraw/zinc/96/73/89/367967389.db2.gz XHNQIEUUMIBVBX-UHFFFAOYSA-N 0 0 239.271 2.034 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252806395 368159245 /nfs/dbraw/zinc/15/92/45/368159245.db2.gz HCRYOTRSVIMTMT-ZYHUDNBSSA-N 0 0 213.321 2.360 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252806394 368159385 /nfs/dbraw/zinc/15/93/85/368159385.db2.gz HCRYOTRSVIMTMT-CMPLNLGQSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cscn1 ZINC000617834032 368298911 /nfs/dbraw/zinc/29/89/11/368298911.db2.gz ILAAARMQMZNSKP-DOLQZWNJSA-N 0 0 236.340 2.366 10 0 BEAERN COc1ccc2c(ccc3c2C(=O)NCC3)c1 ZINC000038221598 368323711 /nfs/dbraw/zinc/32/37/11/368323711.db2.gz CUIFGUORTZDDCS-UHFFFAOYSA-N 0 0 227.263 2.134 10 0 BEAERN CCOc1cc(C)[n+]([O-])c(-c2cccc(C)n2)c1 ZINC000034413956 368323750 /nfs/dbraw/zinc/32/37/50/368323750.db2.gz UNTAEVDODOLIOM-UHFFFAOYSA-N 0 0 244.294 2.398 10 0 BEAERN COc1ccc(CCCCO)c([C@H](C)O)c1 ZINC000224955261 368368053 /nfs/dbraw/zinc/36/80/53/368368053.db2.gz FZHDOEXUSFJQEY-JTQLQIEISA-N 0 0 224.300 2.064 10 0 BEAERN Nc1cc(-c2ccccn2)nc2ncccc12 ZINC000038363947 368326421 /nfs/dbraw/zinc/32/64/21/368326421.db2.gz RCOTZCJFDJIFAQ-UHFFFAOYSA-N 0 0 222.251 2.274 10 0 BEAERN O=c1oc(/C=C/c2ccccc2)ns1 ZINC000039374239 368330210 /nfs/dbraw/zinc/33/02/10/368330210.db2.gz OZBLBNDLIBOLLG-VOTSOKGWSA-N 0 0 205.238 2.267 10 0 BEAERN CCOC(=O)c1c(CC)noc1C(F)(F)F ZINC000142658033 368348386 /nfs/dbraw/zinc/34/83/86/368348386.db2.gz KIJQDUQDGUPWDT-UHFFFAOYSA-N 0 0 237.177 2.433 10 0 BEAERN COC(=O)C[C@@H]1c2ccc(O)cc2OC[C@@H]1C ZINC000201083798 368353663 /nfs/dbraw/zinc/35/36/63/368353663.db2.gz VWPALTJCUVEPOG-KWQFWETISA-N 0 0 236.267 2.067 10 0 BEAERN CC(=O)Nc1csc(C(F)(F)F)n1 ZINC000211847015 368357631 /nfs/dbraw/zinc/35/76/31/368357631.db2.gz KWLHSTXMMFQCCA-UHFFFAOYSA-N 0 0 210.180 2.120 10 0 BEAERN CCOC(=O)[C@]12CCCC[C@H]1CC(=O)CC2 ZINC000166925476 368397044 /nfs/dbraw/zinc/39/70/44/368397044.db2.gz ZIHARWRTSSAORZ-GWCFXTLKSA-N 0 0 224.300 2.479 10 0 BEAERN O=C1c2cc([N+](=O)[O-])ccc2CC[C@H]1F ZINC000166037001 368397049 /nfs/dbraw/zinc/39/70/49/368397049.db2.gz BIAFEWDBCWEPKE-SECBINFHSA-N 0 0 209.176 2.062 10 0 BEAERN Cc1cnc(C2CN(C(=O)OC(C)(C)C)C2)nc1 ZINC000201951820 368399727 /nfs/dbraw/zinc/39/97/27/368399727.db2.gz ODIWBHCUUNAOSA-UHFFFAOYSA-N 0 0 249.314 2.119 10 0 BEAERN c1nn(-c2ccccc2)nc1CN1CCCCC1 ZINC000058472184 368512389 /nfs/dbraw/zinc/51/23/89/368512389.db2.gz IAJKKCSSZMMPRL-UHFFFAOYSA-N 0 0 242.326 2.253 10 0 BEAERN COC(=O)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000080952938 368561102 /nfs/dbraw/zinc/56/11/02/368561102.db2.gz WNLVEFFEQSFPIB-CQSZACIVSA-N 0 0 247.338 2.429 10 0 BEAERN Nc1ccc2c(c1)Cc1cc(NC=O)ccc1-2 ZINC000001580976 368653838 /nfs/dbraw/zinc/65/38/38/368653838.db2.gz YEBPLVZQZYARQM-UHFFFAOYSA-N 0 0 224.263 2.408 10 0 BEAERN COCCC1(C(=O)N[C@H]2C[C@@H]2C)CCCC1 ZINC000154050194 326126720 /nfs/dbraw/zinc/12/67/20/326126720.db2.gz NYCJKORPHXDJOD-QWRGUYRKSA-N 0 0 225.332 2.108 10 0 BEAERN O=c1oc2ccccc2cc1-c1ccc[n+]([O-])c1 ZINC000002040114 368742889 /nfs/dbraw/zinc/74/28/89/368742889.db2.gz JQUCVNISFSPHEZ-UHFFFAOYSA-N 0 0 239.230 2.093 10 0 BEAERN CCC(C)(C)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000073114053 368793911 /nfs/dbraw/zinc/79/39/11/368793911.db2.gz VJYCESRBLGVYGY-RYUDHWBXSA-N 0 0 241.375 2.480 10 0 BEAERN CCc1nnsc1C(=O)N[C@H](C)C(C)(C)C ZINC000112249464 368868444 /nfs/dbraw/zinc/86/84/44/368868444.db2.gz PLXWLEXQBCZDAK-SSDOTTSWSA-N 0 0 241.360 2.265 10 0 BEAERN CC(=O)c1c[nH]c(C(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112307795 368869197 /nfs/dbraw/zinc/86/91/97/368869197.db2.gz VDAFWRLPQQAFBA-SECBINFHSA-N 0 0 236.315 2.382 10 0 BEAERN CCO[C@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000112585455 368873526 /nfs/dbraw/zinc/87/35/26/368873526.db2.gz HZUAOEUEDHLINF-OFFHKIPUSA-N 0 0 233.311 2.241 10 0 BEAERN C[NH+](C)C(C)(C)COc1ccc(C=O)cc1 ZINC000113342934 368890539 /nfs/dbraw/zinc/89/05/39/368890539.db2.gz IEEZLDRLQDHOEE-UHFFFAOYSA-N 0 0 221.300 2.218 10 0 BEAERN COC(=O)c1cc2c([nH]1)CC[C@H]2C(C)C ZINC000115008536 368967354 /nfs/dbraw/zinc/96/73/54/368967354.db2.gz CWDNVVMPGIFTAN-QMMMGPOBSA-N 0 0 207.273 2.487 10 0 BEAERN CC(=O)OCc1csc2c1ncnc2Cl ZINC000118378428 368969761 /nfs/dbraw/zinc/96/97/61/368969761.db2.gz YYOXSUGUKMHROZ-UHFFFAOYSA-N 0 0 242.687 2.408 10 0 BEAERN Cc1ccc(CC(=S)N2CCOCC2)s1 ZINC000115687712 368945849 /nfs/dbraw/zinc/94/58/49/368945849.db2.gz DGFKICCPAPHZJC-UHFFFAOYSA-N 0 0 241.381 2.259 10 0 BEAERN CCOC(=O)CN(CC)C[C@H]1Cc2ccccc21 ZINC000090981391 369004204 /nfs/dbraw/zinc/00/42/04/369004204.db2.gz NNUPSIVIHJGYLO-CYBMUJFWSA-N 0 0 247.338 2.211 10 0 BEAERN CCC[C@H]1CNCc2cccc3[nH]c(=O)n1c32 ZINC000006381355 369046875 /nfs/dbraw/zinc/04/68/75/369046875.db2.gz LTMZADWDPBDVEA-JTQLQIEISA-N 0 0 231.299 2.186 10 0 BEAERN Nc1ccc(-c2cccc3c2CNC3=O)cc1F ZINC000115889821 369011592 /nfs/dbraw/zinc/01/15/92/369011592.db2.gz WWTURSMMGDWPSH-UHFFFAOYSA-N 0 0 242.253 2.318 10 0 BEAERN COC(=O)c1ccc([C@H](O)CC2CC2)cc1 ZINC000205496397 369015091 /nfs/dbraw/zinc/01/50/91/369015091.db2.gz FORTUDDXCHVETJ-GFCCVEGCSA-N 0 0 220.268 2.307 10 0 BEAERN c1cn(CC2OCCO2)c2ccccc12 ZINC000005395260 369026245 /nfs/dbraw/zinc/02/62/45/369026245.db2.gz SKSOUAARNALGNV-UHFFFAOYSA-N 0 0 203.241 2.014 10 0 BEAERN CCc1cc(NCc2ccco2)c(=O)[nH]c1C ZINC000005887314 369029749 /nfs/dbraw/zinc/02/97/49/369029749.db2.gz ZBEYXZDTUARVJO-UHFFFAOYSA-N 0 0 232.283 2.451 10 0 BEAERN Cc1cc(C)cc(Cc2cc[nH]c(=O)c2N)c1 ZINC000005892063 369030667 /nfs/dbraw/zinc/03/06/67/369030667.db2.gz YTBCEUDQWHWROL-UHFFFAOYSA-N 0 0 228.295 2.165 10 0 BEAERN Cc1c(O)cc(N)cc1Br ZINC000215097298 369048371 /nfs/dbraw/zinc/04/83/71/369048371.db2.gz FGESLLBQOHXBRB-UHFFFAOYSA-N 0 0 202.051 2.045 10 0 BEAERN CCOC(=O)C(C#N)CC(=O)c1ccc(F)cc1 ZINC000115354059 368989782 /nfs/dbraw/zinc/98/97/82/368989782.db2.gz GFBQTPGTHDCGSS-JTQLQIEISA-N 0 0 249.241 2.101 10 0 BEAERN OC1(c2cccc(Br)c2)CC1 ZINC000054346295 369067647 /nfs/dbraw/zinc/06/76/47/369067647.db2.gz GYCQBWXEPIWYQK-UHFFFAOYSA-N 0 0 213.074 2.431 10 0 BEAERN CC(C)N1CCOCC[C@@H]1C(F)(F)F ZINC000616599842 369099754 /nfs/dbraw/zinc/09/97/54/369099754.db2.gz XWZISICCCAMFNG-MRVPVSSYSA-N 0 0 211.227 2.048 10 0 BEAERN CC(C)[C@@H]1CN(C(N)=O)c2ccccc2N1 ZINC000616693453 369115532 /nfs/dbraw/zinc/11/55/32/369115532.db2.gz SMTYJCNXOVPBRV-JTQLQIEISA-N 0 0 219.288 2.022 10 0 BEAERN O[C@@H](Cc1ccco1)[C@H]1CSCCS1 ZINC000130849777 369118890 /nfs/dbraw/zinc/11/88/90/369118890.db2.gz SBYZAGDJYAHWFS-VHSXEESVSA-N 0 0 230.354 2.032 10 0 BEAERN O[C@@H](Cc1ccoc1)[C@@H]1CSCCS1 ZINC000130848447 369118975 /nfs/dbraw/zinc/11/89/75/369118975.db2.gz JDJQKJLNXIOMEV-UWVGGRQHSA-N 0 0 230.354 2.032 10 0 BEAERN O[C@@H](Cc1ccco1)[C@@H]1CCCCS1 ZINC000130871277 369122620 /nfs/dbraw/zinc/12/26/20/369122620.db2.gz KNCNBQVZNVYMKH-QWRGUYRKSA-N 0 0 212.314 2.469 10 0 BEAERN CC[C@@H]1CCCN1c1ncc(CO)s1 ZINC000054910109 369110197 /nfs/dbraw/zinc/11/01/97/369110197.db2.gz SFLBRRCEXVPCEE-MRVPVSSYSA-N 0 0 212.318 2.014 10 0 BEAERN CC(=O)N1CCCO[C@H](c2ccccc2F)C1 ZINC000616678603 369110976 /nfs/dbraw/zinc/11/09/76/369110976.db2.gz KKNYFZHMNORECZ-ZDUSSCGKSA-N 0 0 237.274 2.136 10 0 BEAERN CCN1c2ccccc2NC[C@@H]1c1cc[nH]n1 ZINC000616692504 369114229 /nfs/dbraw/zinc/11/42/29/369114229.db2.gz UNALGXFELMBGKG-CYBMUJFWSA-N 0 0 228.299 2.403 10 0 BEAERN CN1c2ccccc2NC[C@@H]1c1cnoc1 ZINC000616692506 369114407 /nfs/dbraw/zinc/11/44/07/369114407.db2.gz UQGJAMSOUDIDNJ-GFCCVEGCSA-N 0 0 215.256 2.278 10 0 BEAERN Cc1csc(Cc2noc(Cl)n2)n1 ZINC000055269570 369168331 /nfs/dbraw/zinc/16/83/31/369168331.db2.gz YPUICZOSOWBWMG-UHFFFAOYSA-N 0 0 215.665 2.079 10 0 BEAERN C[C@H](O)C(=O)c1ccc(F)c(Cl)c1 ZINC000106880937 369214423 /nfs/dbraw/zinc/21/44/23/369214423.db2.gz FSDSAUAIFVGUMP-YFKPBYRVSA-N 0 0 202.612 2.043 10 0 BEAERN Cc1cc(C(=O)N2CCCCC2)ccc1CO ZINC000205575690 369979872 /nfs/dbraw/zinc/97/98/72/369979872.db2.gz RERFFNFCCMJFSM-UHFFFAOYSA-N 0 0 233.311 2.113 10 0 BEAERN Cc1ccc(CCC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075522580 370141845 /nfs/dbraw/zinc/14/18/45/370141845.db2.gz MJSLGQIDFUHAJP-YPMHNXCESA-N 0 0 217.312 2.452 10 0 BEAERN O=C1N[C@H](Cc2ccccc2)c2cc(O)ccc21 ZINC000206897412 370210995 /nfs/dbraw/zinc/21/09/95/370210995.db2.gz QDYOSINPFKWZGD-CQSZACIVSA-N 0 0 239.274 2.419 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CNc1cccc(Cl)c1 ZINC000309769971 370257395 /nfs/dbraw/zinc/25/73/95/370257395.db2.gz KHLPAOFAWOXMMT-GZMMTYOYSA-N 0 0 238.718 2.277 10 0 BEAERN Cc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1C ZINC000077102510 370394988 /nfs/dbraw/zinc/39/49/88/370394988.db2.gz HRXMZQQYEKVSGI-KBPBESRZSA-N 0 0 247.338 2.337 10 0 BEAERN O[C@@H](c1nccs1)c1cccc(F)c1 ZINC000161564491 370411429 /nfs/dbraw/zinc/41/14/29/370411429.db2.gz HHSQKKAFLSUUIG-SECBINFHSA-N 0 0 209.245 2.364 10 0 BEAERN COC[C@@H](O)c1ccc(Br)c(F)c1 ZINC000161587886 370503474 /nfs/dbraw/zinc/50/34/74/370503474.db2.gz OXPFXHFLYOXONH-SECBINFHSA-N 0 0 249.079 2.268 10 0 BEAERN C=Cc1nc(C)ccc1-c1nc(C)no1 ZINC000114214026 370548279 /nfs/dbraw/zinc/54/82/79/370548279.db2.gz CMFVSVMAGZYFEY-UHFFFAOYSA-N 0 0 201.229 2.391 10 0 BEAERN CCCCN(C)C(=O)N[C@@H](C)C(C)C ZINC000078316482 370549527 /nfs/dbraw/zinc/54/95/27/370549527.db2.gz BPHIQQZLCPCDNC-JTQLQIEISA-N 0 0 200.326 2.472 10 0 BEAERN CCOC(=O)Cc1cn(C2CCCCC2)cn1 ZINC000114496584 370569618 /nfs/dbraw/zinc/56/96/18/370569618.db2.gz SPAIBXGAXMXHPF-UHFFFAOYSA-N 0 0 236.315 2.494 10 0 BEAERN O=C(Nc1cccc(CCO)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000313182015 370570733 /nfs/dbraw/zinc/57/07/33/370570733.db2.gz HOYHIOSPQQSFHR-CLLJXQQHSA-N 0 0 245.322 2.206 10 0 BEAERN C[C@@H]1CCS[C@@H](c2nccs2)N1 ZINC000161611108 370576752 /nfs/dbraw/zinc/57/67/52/370576752.db2.gz KEQYNCQDCSTRPL-SVRRBLITSA-N 0 0 200.332 2.257 10 0 BEAERN O=Cc1csc(-c2ncccc2F)n1 ZINC000130992430 370609063 /nfs/dbraw/zinc/60/90/63/370609063.db2.gz QSPOMRRLRRMYSH-UHFFFAOYSA-N 0 0 208.217 2.157 10 0 BEAERN NN1CC[C@@H](c2ccccc2Br)C1 ZINC000077387083 181510641 /nfs/dbraw/zinc/51/06/41/181510641.db2.gz QPBPCWVQPWASLN-MRVPVSSYSA-N 0 0 241.132 2.112 10 0 BEAERN NNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000090613283 181517948 /nfs/dbraw/zinc/51/79/48/181517948.db2.gz QYZCPOGLBTUVLP-UHFFFAOYSA-N 0 0 224.613 2.322 10 0 BEAERN NN=c1[nH]c2c(cc(Cl)cc2Cl)o1 ZINC000062526739 181521082 /nfs/dbraw/zinc/52/10/82/181521082.db2.gz FJTCKIXUGZCDDH-UHFFFAOYSA-N 0 0 218.043 2.420 10 0 BEAERN C[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3C=CCC3)CC[C@@H]2O1 ZINC000249687779 259546834 /nfs/dbraw/zinc/54/68/34/259546834.db2.gz HUYCUJGWCJULLP-RQJABVFESA-N 0 0 249.354 2.369 10 0 BEAERN CCCCO[C@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000124834260 371242282 /nfs/dbraw/zinc/24/22/82/371242282.db2.gz SQXVBBTUZOFBLD-SECBINFHSA-N 0 0 239.319 2.116 10 0 BEAERN N[C@H](c1nccs1)c1c(F)cccc1F ZINC000041059852 181635301 /nfs/dbraw/zinc/63/53/01/181635301.db2.gz LMZSECBIGAZGMG-VIFPVBQESA-N 0 0 226.251 2.469 10 0 BEAERN CCCC[NH+](CCCC)[C@H](C)C(=O)[O-] ZINC000011955169 168807315 /nfs/dbraw/zinc/80/73/15/168807315.db2.gz OSUSNJWIFNXXNC-SNVBAGLBSA-N 0 0 201.310 2.362 10 0 BEAERN Nc1c(Cl)cnn1Cc1ccccc1 ZINC000043665590 181668268 /nfs/dbraw/zinc/66/82/68/181668268.db2.gz HEGVVTNDDILANO-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN Nc1c(Cl)ncnc1N1CCc2ccccc21 ZINC000040571650 181668287 /nfs/dbraw/zinc/66/82/87/181668287.db2.gz LGQPWCZXCWGVNG-UHFFFAOYSA-N 0 0 246.701 2.406 10 0 BEAERN Nc1c(F)cccc1C(=O)N1CCCCC1 ZINC000054206779 181670094 /nfs/dbraw/zinc/67/00/94/181670094.db2.gz CDZKCVOJFSYWSX-UHFFFAOYSA-N 0 0 222.263 2.034 10 0 BEAERN Nc1c2ccccc2nc2c1[C@H](O)CSC2 ZINC000028968493 181671992 /nfs/dbraw/zinc/67/19/92/181671992.db2.gz WPTJRGGHNGIDCA-SNVBAGLBSA-N 0 0 232.308 2.097 10 0 BEAERN Nc1cc(Cl)ccc1S[C@@H]1CCOC1=O ZINC000019833113 181684920 /nfs/dbraw/zinc/68/49/20/181684920.db2.gz GQBNIAHRUOISKL-SECBINFHSA-N 0 0 243.715 2.330 10 0 BEAERN CC(C)c1cc(N[C@@H](C)[C@@H](C)CO)ncn1 ZINC000125630943 371369018 /nfs/dbraw/zinc/36/90/18/371369018.db2.gz WRRZSTUHQWWXAR-UWVGGRQHSA-N 0 0 223.320 2.029 10 0 BEAERN Nc1cc(F)ccc1N1CCCSCC1 ZINC000042443688 181686825 /nfs/dbraw/zinc/68/68/25/181686825.db2.gz JFYZFPBUIJIEAM-UHFFFAOYSA-N 0 0 226.320 2.351 10 0 BEAERN Nc1ccc(Cl)cc1OC[C@H]1CCCO1 ZINC000033425101 181709426 /nfs/dbraw/zinc/70/94/26/181709426.db2.gz GWDRVNLGFSRLST-SECBINFHSA-N 0 0 227.691 2.480 10 0 BEAERN Nc1ccc(Cl)c(Nc2ccncn2)c1 ZINC000040863471 181710074 /nfs/dbraw/zinc/71/00/74/181710074.db2.gz BABZMQTUHDKGMJ-UHFFFAOYSA-N 0 0 220.663 2.456 10 0 BEAERN Nc1ccc(Cl)c(OC[C@H]2CCCO2)c1 ZINC000069635074 181710081 /nfs/dbraw/zinc/71/00/81/181710081.db2.gz ARSPICZVXODHOC-SECBINFHSA-N 0 0 227.691 2.480 10 0 BEAERN Nc1ccc(F)c(C(=O)NC2CCCC2)c1 ZINC000035651234 181710837 /nfs/dbraw/zinc/71/08/37/181710837.db2.gz UIUFJQSSFTWTOY-UHFFFAOYSA-N 0 0 222.263 2.080 10 0 BEAERN Nc1ccc(F)c(C(=O)Nc2ccccn2)c1 ZINC000035651240 181710951 /nfs/dbraw/zinc/71/09/51/181710951.db2.gz NVFGLLSRCWIQTB-UHFFFAOYSA-N 0 0 231.230 2.055 10 0 BEAERN Nc1ccc2c(c1)N(C(=O)c1ccoc1)CC2 ZINC000019874729 181730997 /nfs/dbraw/zinc/73/09/97/181730997.db2.gz BMJLUXNZKIBGNN-UHFFFAOYSA-N 0 0 228.251 2.065 10 0 BEAERN Nc1cccc(CNc2nccs2)c1 ZINC000052926048 181743231 /nfs/dbraw/zinc/74/32/31/181743231.db2.gz GQAJYHSXZQLBGM-UHFFFAOYSA-N 0 0 205.286 2.337 10 0 BEAERN Nc1ccc(OCc2ccncc2)cc1F ZINC000043472269 181722625 /nfs/dbraw/zinc/72/26/25/181722625.db2.gz PRYZNEVZAIXLIC-UHFFFAOYSA-N 0 0 218.231 2.382 10 0 BEAERN Nc1ccc(OC[C@H]2CCOC2)c2ccncc12 ZINC000049688433 181722739 /nfs/dbraw/zinc/72/27/39/181722739.db2.gz HDRYLRWVWGQRTP-JTQLQIEISA-N 0 0 244.294 2.232 10 0 BEAERN Nc1cncc(-c2ccc(Cl)cc2)n1 ZINC000084026250 181769282 /nfs/dbraw/zinc/76/92/82/181769282.db2.gz PNCBVZXXXZWKSR-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Nc1cccc2c1Cc1ccccc1C2=O ZINC000013606504 181750345 /nfs/dbraw/zinc/75/03/45/181750345.db2.gz JDLMJXBQXXFQAK-UHFFFAOYSA-N 0 0 209.248 2.404 10 0 BEAERN O[C@@H](Cc1nccs1)C(Cl)(Cl)Cl ZINC000022199921 371526166 /nfs/dbraw/zinc/52/61/66/371526166.db2.gz OTNJVVKKKLZWJX-BYPYZUCNSA-N 0 0 246.546 2.417 10 0 BEAERN Nc1ccccc1CCC(=O)Nc1nccs1 ZINC000020187590 181754104 /nfs/dbraw/zinc/75/41/04/181754104.db2.gz WCJMAFZGOWJHKD-UHFFFAOYSA-N 0 0 247.323 2.297 10 0 BEAERN CCCCN(CCOC)C(=O)CCSC ZINC000109218869 168815925 /nfs/dbraw/zinc/81/59/25/168815925.db2.gz CMYZUAQSNSVFEE-UHFFFAOYSA-N 0 0 233.377 2.015 10 0 BEAERN Nc1cccnc1[S@@](=O)C1CCCCC1 ZINC000042197942 181759740 /nfs/dbraw/zinc/75/97/40/181759740.db2.gz AOIOSXZNCLKECA-OAHLLOKOSA-N 0 0 224.329 2.104 10 0 BEAERN Nc1ccn(Cc2ccc(Cl)s2)n1 ZINC000037418721 181760445 /nfs/dbraw/zinc/76/04/45/181760445.db2.gz CVABRYAMUYBHKE-UHFFFAOYSA-N 0 0 213.693 2.229 10 0 BEAERN O=Cc1cnc(SC2CCCC2)nc1 ZINC000126773112 371548810 /nfs/dbraw/zinc/54/88/10/371548810.db2.gz PEOWZVGOJJQIGG-UHFFFAOYSA-N 0 0 208.286 2.324 10 0 BEAERN CC(C)(C)OC(=O)N1CC(c2cnco2)C1 ZINC000131129996 371562276 /nfs/dbraw/zinc/56/22/76/371562276.db2.gz NVHHWFUERRJADV-UHFFFAOYSA-N 0 0 224.260 2.009 10 0 BEAERN F[C@H]([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225685658 371565599 /nfs/dbraw/zinc/56/55/99/371565599.db2.gz NDXYGLSYEZVOCJ-RFZPGFLSSA-N 0 0 232.043 2.064 10 0 BEAERN Nc1nc(COC(=O)c2cccs2)cs1 ZINC000073199162 181781201 /nfs/dbraw/zinc/78/12/01/181781201.db2.gz NMDXFKDAZUNOAI-UHFFFAOYSA-N 0 0 240.309 2.144 10 0 BEAERN Nc1nc(-c2cccc(F)c2)nc2c1CCC2 ZINC000050844636 181777041 /nfs/dbraw/zinc/77/70/41/181777041.db2.gz YZWZFJLWLQNFPB-UHFFFAOYSA-N 0 0 229.258 2.354 10 0 BEAERN Cc1ncsc1C(=O)c1ccncc1F ZINC000162020605 371600826 /nfs/dbraw/zinc/60/08/26/371600826.db2.gz GJNMHWMCHNMXHJ-UHFFFAOYSA-N 0 0 222.244 2.217 10 0 BEAERN Nc1nc(CNCc2ccccc2)cs1 ZINC000082537309 181781819 /nfs/dbraw/zinc/78/18/19/181781819.db2.gz SFUMPHCAIRJJOU-UHFFFAOYSA-N 0 0 219.313 2.015 10 0 BEAERN Clc1cncc2nnc(C3CCC3)n21 ZINC000162057747 371605836 /nfs/dbraw/zinc/60/58/36/371605836.db2.gz LDABWJUJHMOALF-UHFFFAOYSA-N 0 0 208.652 2.045 10 0 BEAERN COc1cc(C(F)(F)CN)ccc1C ZINC000131743029 371664151 /nfs/dbraw/zinc/66/41/51/371664151.db2.gz FBBLKRZWAQJMHQ-UHFFFAOYSA-N 0 0 201.216 2.054 10 0 BEAERN C[C@@H](CO)Sc1c(F)cc(N)cc1F ZINC000162356961 371664581 /nfs/dbraw/zinc/66/45/81/371664581.db2.gz MXASYDMGBNXCFC-YFKPBYRVSA-N 0 0 219.256 2.020 10 0 BEAERN Nc1nc2c(cccc2F)n1Cc1ccncc1 ZINC000037421265 181790116 /nfs/dbraw/zinc/79/01/16/181790116.db2.gz VNYHNNIHZBWKDE-UHFFFAOYSA-N 0 0 242.257 2.201 10 0 BEAERN CC(=O)c1ccc(Sc2cnccn2)o1 ZINC000131594569 371630051 /nfs/dbraw/zinc/63/00/51/371630051.db2.gz DWMDGJWVNKQZHV-UHFFFAOYSA-N 0 0 220.253 2.423 10 0 BEAERN CC(C)c1nnsc1[C@H](O)C(C)C ZINC000162213522 371630800 /nfs/dbraw/zinc/63/08/00/371630800.db2.gz KMMVSUAYHBFAOO-MRVPVSSYSA-N 0 0 200.307 2.351 10 0 BEAERN Nc1nc(Cl)cc(-c2cccc(O)c2)n1 ZINC000139130325 181782584 /nfs/dbraw/zinc/78/25/84/181782584.db2.gz RUPKVZKCSXDTLQ-UHFFFAOYSA-N 0 0 221.647 2.085 10 0 BEAERN Fc1cc(NCc2cncs2)ccn1 ZINC000131672075 371646442 /nfs/dbraw/zinc/64/64/42/371646442.db2.gz IOCHEMZHYWBWLX-UHFFFAOYSA-N 0 0 209.249 2.289 10 0 BEAERN Clc1nsnc1NCc1cncs1 ZINC000131675112 371649836 /nfs/dbraw/zinc/64/98/36/371649836.db2.gz NMABKJILWMTOGI-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN Nc1nc(Cl)nc2sc3c(c21)CCC3 ZINC000036277145 181783810 /nfs/dbraw/zinc/78/38/10/181783810.db2.gz GPLMNLWICQSAGF-UHFFFAOYSA-N 0 0 225.704 2.416 10 0 BEAERN Nc1nc(N)c(-c2ccccc2F)s1 ZINC000017327470 181783880 /nfs/dbraw/zinc/78/38/80/181783880.db2.gz XVKFZUNZJVMEBQ-UHFFFAOYSA-N 0 0 209.249 2.114 10 0 BEAERN C[C@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC[C@@H](C)CC1 ZINC000226508434 371681598 /nfs/dbraw/zinc/68/15/98/371681598.db2.gz ZYNBQPYYELAAAI-GMTAPVOTSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H](CO)Sc1cc(Cl)ccc1N ZINC000162354581 371663639 /nfs/dbraw/zinc/66/36/39/371663639.db2.gz MTGHGJHJDQGURZ-LURJTMIESA-N 0 0 217.721 2.395 10 0 BEAERN CC(C)c1ccn(-c2ncc(N)s2)n1 ZINC000226754444 371738626 /nfs/dbraw/zinc/73/86/26/371738626.db2.gz NGYXECFJBWJGFO-UHFFFAOYSA-N 0 0 208.290 2.034 10 0 BEAERN COc1cc(O)cc(F)c1Br ZINC000216134110 371705335 /nfs/dbraw/zinc/70/53/35/371705335.db2.gz ZSSDTIONAHKVDH-UHFFFAOYSA-N 0 0 221.025 2.302 10 0 BEAERN CCC(=O)Nc1cccnc1Br ZINC000226679456 371721215 /nfs/dbraw/zinc/72/12/15/371721215.db2.gz FBMBOQRUZLYDAM-UHFFFAOYSA-N 0 0 229.077 2.193 10 0 BEAERN Nc1nc2cccnc2n1C1CCCC1 ZINC000075947348 181794850 /nfs/dbraw/zinc/79/48/50/181794850.db2.gz VTXWULHNVTVOPE-UHFFFAOYSA-N 0 0 202.261 2.129 10 0 BEAERN C[C@H](NO)c1ccc(OC(F)F)cc1 ZINC000131956855 371725764 /nfs/dbraw/zinc/72/57/64/371725764.db2.gz HSBNNXWHDQSOLG-LURJTMIESA-N 0 0 203.188 2.328 10 0 BEAERN Cc1csc(CNc2ncc(N)s2)n1 ZINC000226735169 371734096 /nfs/dbraw/zinc/73/40/96/371734096.db2.gz RBMKGSDRQPCVMO-UHFFFAOYSA-N 0 0 226.330 2.102 10 0 BEAERN Cc1ccc(C(=O)CS[C@@H](C)CO)cc1 ZINC000162660450 371740972 /nfs/dbraw/zinc/74/09/72/371740972.db2.gz YCSMQCABRVJAOL-JTQLQIEISA-N 0 0 224.325 2.292 10 0 BEAERN Nc1ncc(-c2ccccc2)nc1Cl ZINC000095935057 181796959 /nfs/dbraw/zinc/79/69/59/181796959.db2.gz ZKYQKRVASIYCFX-UHFFFAOYSA-N 0 0 205.648 2.379 10 0 BEAERN Cc1nc(Cl)c(S[C@H](C)CO)nc1C ZINC000162479543 371695230 /nfs/dbraw/zinc/69/52/30/371695230.db2.gz ARRVEPWZTOXIPC-RXMQYKEDSA-N 0 0 232.736 2.220 10 0 BEAERN ON[C@@H]1CCOc2ccc(Br)cc21 ZINC000132040853 371746161 /nfs/dbraw/zinc/74/61/61/371746161.db2.gz HOEWPXZYYZECFV-MRVPVSSYSA-N 0 0 244.088 2.252 10 0 BEAERN C[Si](C)(C)CCOCn1cc(C=O)cn1 ZINC000216463182 371755834 /nfs/dbraw/zinc/75/58/34/371755834.db2.gz HUEKMLUQZYSSBI-UHFFFAOYSA-N 0 0 226.352 2.008 10 0 BEAERN CC[C@H]1Nc2ncnc(Cl)c2O[C@@H]1C ZINC000132209793 371766009 /nfs/dbraw/zinc/76/60/09/371766009.db2.gz NRZCLBMVCWLTTL-PHDIDXHHSA-N 0 0 213.668 2.101 10 0 BEAERN Nc1noc2ncc(-c3ccccc3)cc12 ZINC000013489634 181816404 /nfs/dbraw/zinc/81/64/04/181816404.db2.gz FDGRAWJKMFJLQE-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN C[C@@H]1CCN(C(=O)C(C)(C)Br)C1 ZINC000162737823 371833678 /nfs/dbraw/zinc/83/36/78/371833678.db2.gz BUQAAVHZOLRREV-SSDOTTSWSA-N 0 0 234.137 2.028 10 0 BEAERN COc1cc(Br)c(O)c(OC)c1 ZINC000216747476 371799133 /nfs/dbraw/zinc/79/91/33/371799133.db2.gz DDGDLIFRYYVSJT-UHFFFAOYSA-N 0 0 233.061 2.172 10 0 BEAERN Nc1nn(CC2CCCC2)cc1Br ZINC000042375038 181812010 /nfs/dbraw/zinc/81/20/10/181812010.db2.gz VAPLXCHXKYLWTQ-UHFFFAOYSA-N 0 0 244.136 2.418 10 0 BEAERN Nc1sc2ncncc2c1Br ZINC000082348168 181820988 /nfs/dbraw/zinc/82/09/88/181820988.db2.gz IQRSSPVINAEFJL-UHFFFAOYSA-N 0 0 230.090 2.036 10 0 BEAERN CC(C)OCc1nc(Br)ns1 ZINC000230108467 371850727 /nfs/dbraw/zinc/85/07/27/371850727.db2.gz DATJRDAKMYFNKC-UHFFFAOYSA-N 0 0 237.122 2.226 10 0 BEAERN C[C@@H]1CCO[C@@H]1c1nc(Br)ns1 ZINC000230109872 371851504 /nfs/dbraw/zinc/85/15/04/371851504.db2.gz XVSNZXILRHDCTL-UHNVWZDZSA-N 0 0 249.133 2.398 10 0 BEAERN Clc1nsc([C@@H]2CCCOC2)n1 ZINC000230114262 371852554 /nfs/dbraw/zinc/85/25/54/371852554.db2.gz UNPLWXVPPQEIFE-RXMQYKEDSA-N 0 0 204.682 2.086 10 0 BEAERN C[C@H]1CC[C@@H](c2nc(Cl)ns2)O1 ZINC000230112627 371852924 /nfs/dbraw/zinc/85/29/24/371852924.db2.gz NFDBAPKVARNMNU-WHFBIAKZSA-N 0 0 204.682 2.432 10 0 BEAERN Clc1nccc(N[C@H]2CCSC2)n1 ZINC000230148495 371860795 /nfs/dbraw/zinc/86/07/95/371860795.db2.gz MYOKYOQYRSCRBU-LURJTMIESA-N 0 0 215.709 2.047 10 0 BEAERN COc1cc(F)cc(CO)c1Br ZINC000216890049 371837312 /nfs/dbraw/zinc/83/73/12/371837312.db2.gz JGWOPBHSYGAZGE-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN CC(C)(Br)C(=O)N[C@H]1CC1(C)C ZINC000162759409 371840577 /nfs/dbraw/zinc/84/05/77/371840577.db2.gz HIEUUBJRCMFYBT-LURJTMIESA-N 0 0 234.137 2.075 10 0 BEAERN C[C@](O)(CO)c1cc(Cl)ccc1Cl ZINC000132864994 371939683 /nfs/dbraw/zinc/93/96/83/371939683.db2.gz KRUNEKIYOZNQFF-VIFPVBQESA-N 0 0 221.083 2.193 10 0 BEAERN Cc1sccc1[C@H](N)C(C)(C)[NH+](C)C ZINC000227795116 371939957 /nfs/dbraw/zinc/93/99/57/371939957.db2.gz NVKJAXJTORGZGL-JTQLQIEISA-N 0 0 212.362 2.397 10 0 BEAERN CN(CC(F)(F)F)c1ccnc(F)c1 ZINC000227641043 371913030 /nfs/dbraw/zinc/91/30/30/371913030.db2.gz DVHSUDCNZBGQIA-UHFFFAOYSA-N 0 0 208.158 2.219 10 0 BEAERN Cc1cnc(Sc2ccnc(F)c2)nc1 ZINC000227647126 371914538 /nfs/dbraw/zinc/91/45/38/371914538.db2.gz VBVYEONMTBZHIE-UHFFFAOYSA-N 0 0 221.260 2.470 10 0 BEAERN C[C@@H](NN)c1cc(Br)ccc1F ZINC000163043147 371919633 /nfs/dbraw/zinc/91/96/33/371919633.db2.gz UIWHPCVKBKAYPN-RXMQYKEDSA-N 0 0 233.084 2.113 10 0 BEAERN C[C@@H]1OCC[C@@H]1N(C)c1ccnc(Cl)c1 ZINC000227688466 371921409 /nfs/dbraw/zinc/92/14/09/371921409.db2.gz HOQMLKQNNKAAGO-WPRPVWTQSA-N 0 0 226.707 2.349 10 0 BEAERN Nc1c(Cl)cccc1SC1COC1 ZINC000163131225 371933842 /nfs/dbraw/zinc/93/38/42/371933842.db2.gz PPJBJMNULOXMND-UHFFFAOYSA-N 0 0 215.705 2.413 10 0 BEAERN Cc1cncc(C(=O)[C@]2(C)CCCO2)c1 ZINC000227949473 371961907 /nfs/dbraw/zinc/96/19/07/371961907.db2.gz SOWWDTWOBVQCMS-LBPRGKRZSA-N 0 0 205.257 2.142 10 0 BEAERN C[C@@]1(Nc2cncc(Cl)n2)CCCOC1 ZINC000227985412 371967420 /nfs/dbraw/zinc/96/74/20/371967420.db2.gz WRIUGTUDVGKPSA-SNVBAGLBSA-N 0 0 227.695 2.111 10 0 BEAERN Cc1cccn2c3c(nc12)CCSC3 ZINC000228018094 371976479 /nfs/dbraw/zinc/97/64/79/371976479.db2.gz XTCMDOWPWDBZEO-UHFFFAOYSA-N 0 0 204.298 2.432 10 0 BEAERN CCC[C@H](O)[C@H]1SCCS[C@@H]1C ZINC000228090154 371988980 /nfs/dbraw/zinc/98/89/80/371988980.db2.gz MAFOUXRJEYTRHA-VGMNWLOBSA-N 0 0 206.376 2.385 10 0 BEAERN CN1C(=S)N=NC1c1sccc1Cl ZINC000228196210 372003178 /nfs/dbraw/zinc/00/31/78/372003178.db2.gz TYFXWBTVODLQSE-UHFFFAOYSA-N 0 0 231.733 2.486 10 0 BEAERN O=C1NCCC[C@H]1CC=C(Cl)Cl ZINC000403417912 371994838 /nfs/dbraw/zinc/99/48/38/371994838.db2.gz RKERKURZOXQGJX-LURJTMIESA-N 0 0 208.088 2.222 10 0 BEAERN CC[C@H]1C[C@@H]1Nc1cnc(Br)cn1 ZINC000306202935 371998694 /nfs/dbraw/zinc/99/86/94/371998694.db2.gz QUGFASHYHROIOZ-BQBZGAKWSA-N 0 0 242.120 2.450 10 0 BEAERN CC[C@](N)(c1ccc(F)cn1)C(F)F ZINC000163222833 371955598 /nfs/dbraw/zinc/95/55/98/371955598.db2.gz BLNIVSUAYSRRCV-VIFPVBQESA-N 0 0 204.195 2.050 10 0 BEAERN C[C@@H](c1c(F)cccc1F)[S@](C)=O ZINC000306557994 372035381 /nfs/dbraw/zinc/03/53/81/372035381.db2.gz NUXNCSZZPDDLRY-IYQDAUBNSA-N 0 0 204.241 2.404 10 0 BEAERN Cc1nnc(C(=O)c2sccc2Cl)n1C ZINC000306591715 372041537 /nfs/dbraw/zinc/04/15/37/372041537.db2.gz YUTXPLXFFKNKIP-UHFFFAOYSA-N 0 0 241.703 2.069 10 0 BEAERN COc1ccncc1[C@H]1CCCCC1=O ZINC000306724576 372061264 /nfs/dbraw/zinc/06/12/64/372061264.db2.gz IYURCIPXOVQCKT-SECBINFHSA-N 0 0 205.257 2.317 10 0 BEAERN Cc1ccc([C@@H](C)N2CCOCC2)s1 ZINC000306648227 372050708 /nfs/dbraw/zinc/05/07/08/372050708.db2.gz FVFKRDQOABLDEA-SNVBAGLBSA-N 0 0 211.330 2.450 10 0 BEAERN C/C=C/CNc1ncc(Br)cc1N ZINC000306646479 372050815 /nfs/dbraw/zinc/05/08/15/372050815.db2.gz CTACIJQRWILUOO-NSCUHMNNSA-N 0 0 242.120 2.414 10 0 BEAERN CC(C)N1C(=S)N=NC1[C@H]1CCSC1 ZINC000228204108 372004613 /nfs/dbraw/zinc/00/46/13/372004613.db2.gz JSWGDVGURIVAAB-ZETCQYMHSA-N 0 0 229.374 2.368 10 0 BEAERN CON(C)c1ncc(C)cc1Br ZINC000163511082 372004932 /nfs/dbraw/zinc/00/49/32/372004932.db2.gz SQEKDMKAHGTPGD-UHFFFAOYSA-N 0 0 231.093 2.150 10 0 BEAERN O=C1C[C@@H](c2cc(F)cc(Br)c2)N1 ZINC000306281191 372005906 /nfs/dbraw/zinc/00/59/06/372005906.db2.gz VVYWHULWZIUKEH-QMMMGPOBSA-N 0 0 244.063 2.149 10 0 BEAERN Nc1nc(CC2CCC2)ncc1Br ZINC000307263818 372106016 /nfs/dbraw/zinc/10/60/16/372106016.db2.gz WLBXEEKMZLEMSH-UHFFFAOYSA-N 0 0 242.120 2.164 10 0 BEAERN Clc1nc(N[C@@H]2CCCOC2)cs1 ZINC000307329941 372111877 /nfs/dbraw/zinc/11/18/77/372111877.db2.gz XLWFIDUVKXQOFN-ZCFIWIBFSA-N 0 0 218.709 2.387 10 0 BEAERN CCc1occc1[C@H](O)c1ccsn1 ZINC000307369640 372115321 /nfs/dbraw/zinc/11/53/21/372115321.db2.gz AGJHXVQHYCLUPI-JTQLQIEISA-N 0 0 209.270 2.380 10 0 BEAERN CC[C@@H]1C[C@@H]1c1nnc(Br)o1 ZINC000307376370 372116661 /nfs/dbraw/zinc/11/66/61/372116661.db2.gz BRKFVFNENGAQPS-UHNVWZDZSA-N 0 0 217.066 2.346 10 0 BEAERN Cc1nc(C(=O)c2cnsc2)cs1 ZINC000404804983 372118073 /nfs/dbraw/zinc/11/80/73/372118073.db2.gz RIHLWZIDMMEQJK-UHFFFAOYSA-N 0 0 210.283 2.139 10 0 BEAERN C[C@@H]1C[C@@]1(O)c1ncccc1Br ZINC000231807115 372080741 /nfs/dbraw/zinc/08/07/41/372080741.db2.gz YBVABGXYXQMCNM-MUWHJKNJSA-N 0 0 228.089 2.072 10 0 BEAERN CC(C)(C)n1c(C(C)(F)F)n[nH]c1=S ZINC000306964899 372082110 /nfs/dbraw/zinc/08/21/10/372082110.db2.gz JOJSFQQHALRNQR-UHFFFAOYSA-N 0 0 221.276 2.434 10 0 BEAERN CC1(Nc2ncc(Br)cc2N)CC1 ZINC000228829170 372083697 /nfs/dbraw/zinc/08/36/97/372083697.db2.gz MFOJUWGYJQXJGN-UHFFFAOYSA-N 0 0 242.120 2.391 10 0 BEAERN CC1(Nc2ccccc2C(N)=S)CC1 ZINC000228866023 372085487 /nfs/dbraw/zinc/08/54/87/372085487.db2.gz PGMVGUPGGVOIJR-UHFFFAOYSA-N 0 0 206.314 2.285 10 0 BEAERN C[C@@H]1C[C@H](NC2N=NC(=S)S2)[C@H]1C ZINC000307103805 372086454 /nfs/dbraw/zinc/08/64/54/372086454.db2.gz BWHOWAUBXCLBMK-SRQIZXRXSA-N 0 0 215.347 2.283 10 0 BEAERN C[C@@H]1C[C@@H](NC2N=NC(=S)S2)[C@H]1C ZINC000307103803 372086888 /nfs/dbraw/zinc/08/68/88/372086888.db2.gz BWHOWAUBXCLBMK-NGJCXOISSA-N 0 0 215.347 2.283 10 0 BEAERN Nc1ccc([C@H](O)C2CC2)c(Br)c1 ZINC000307416305 372120450 /nfs/dbraw/zinc/12/04/50/372120450.db2.gz YQQKFQZIEHKHID-SNVBAGLBSA-N 0 0 242.116 2.475 10 0 BEAERN Nc1nc(-c2ccc(OC3CC3)nc2)cs1 ZINC000606302347 372092174 /nfs/dbraw/zinc/09/21/74/372092174.db2.gz LOHDBPGMLKENHM-UHFFFAOYSA-N 0 0 233.296 2.159 10 0 BEAERN O=C(C[C@H]1CCOC1)c1ccncc1Cl ZINC000307226692 372098866 /nfs/dbraw/zinc/09/88/66/372098866.db2.gz BRCXECKVWCCRFF-MRVPVSSYSA-N 0 0 225.675 2.344 10 0 BEAERN Cc1cc(F)c(Br)c2c1NC(=O)C2 ZINC000232108432 372104745 /nfs/dbraw/zinc/10/47/45/372104745.db2.gz BTKRVMOAWUTLQB-UHFFFAOYSA-N 0 0 244.063 2.391 10 0 BEAERN O=C(c1ccc[nH]1)[C@H]1CSCCS1 ZINC000307643330 372134417 /nfs/dbraw/zinc/13/44/17/372134417.db2.gz OUECQZQLLDMMSZ-MRVPVSSYSA-N 0 0 213.327 2.046 10 0 BEAERN Cc1csc(CC(=O)[C@H]2CCCCO2)n1 ZINC000229279947 372135704 /nfs/dbraw/zinc/13/57/04/372135704.db2.gz LFLCOOFPYGGZRL-SNVBAGLBSA-N 0 0 225.313 2.132 10 0 BEAERN Cc1nc(NC2CC2)c(Cl)cc1CO ZINC000307663758 372136246 /nfs/dbraw/zinc/13/62/46/372136246.db2.gz JETNAXJRDPYQEK-UHFFFAOYSA-N 0 0 212.680 2.110 10 0 BEAERN CCCNC(=O)Nc1cccc(C=O)c1 ZINC000229307825 372140886 /nfs/dbraw/zinc/14/08/86/372140886.db2.gz IKAPGGWKIONGOH-UHFFFAOYSA-N 0 0 206.245 2.031 10 0 BEAERN O[C@@H](c1coc(Br)c1)c1ccc[nH]1 ZINC000307759879 372143536 /nfs/dbraw/zinc/14/35/36/372143536.db2.gz UJFCFLPTCDIRDU-VIFPVBQESA-N 0 0 242.072 2.452 10 0 BEAERN Cc1cc(CNN(C)C)ccc1Br ZINC000134086432 372156466 /nfs/dbraw/zinc/15/64/66/372156466.db2.gz HWVLIJWBRQDZEA-UHFFFAOYSA-N 0 0 243.148 2.324 10 0 BEAERN Nc1cc(NC(=O)C(F)(F)F)c(F)cc1F ZINC000229557814 372164702 /nfs/dbraw/zinc/16/47/02/372164702.db2.gz NMWBOPJTRVZNAV-UHFFFAOYSA-N 0 0 240.131 2.048 10 0 BEAERN Cc1cc(C)c(C(N)=O)c(Br)c1 ZINC000032238272 372165565 /nfs/dbraw/zinc/16/55/65/372165565.db2.gz ZKFRKHOFZQHTEF-UHFFFAOYSA-N 0 0 228.089 2.165 10 0 BEAERN S=c1[nH]ccn1C[C@H]1CSCCS1 ZINC000229622396 372174719 /nfs/dbraw/zinc/17/47/19/372174719.db2.gz ULKKMXXDZCVDIQ-ZETCQYMHSA-N 0 0 232.399 2.020 10 0 BEAERN COc1nc([C@@H](O)c2cccs2)cs1 ZINC000307486501 372123226 /nfs/dbraw/zinc/12/32/26/372123226.db2.gz BDSPPEJITROICT-MRVPVSSYSA-N 0 0 227.310 2.295 10 0 BEAERN FC(F)(F)C1(n2cc[nH]c2=S)CC1 ZINC000229742187 372189348 /nfs/dbraw/zinc/18/93/48/372189348.db2.gz KBOFMXQGSAXQJW-UHFFFAOYSA-N 0 0 208.208 2.223 10 0 BEAERN C[C@H]1C[C@@H](NOCc2ccccc2)CCO1 ZINC000134265978 372189711 /nfs/dbraw/zinc/18/97/11/372189711.db2.gz DFPFJCWFTBDFFT-AAEUAGOBSA-N 0 0 221.300 2.275 10 0 BEAERN Cc1cccc([C@@H](NN)C(F)F)c1C ZINC000229799947 372195002 /nfs/dbraw/zinc/19/50/02/372195002.db2.gz MVRYGQGILSIDHI-SECBINFHSA-N 0 0 200.232 2.073 10 0 BEAERN Cc1cc(C[C@H]2CCC(=O)N2)c(C)s1 ZINC000134323218 372195493 /nfs/dbraw/zinc/19/54/93/372195493.db2.gz WKLHISPBPYWLNE-SNVBAGLBSA-N 0 0 209.314 2.186 10 0 BEAERN O=C1CC[C@@H](Cc2ccccc2Cl)N1 ZINC000134325859 372195694 /nfs/dbraw/zinc/19/56/94/372195694.db2.gz ZAILZVGLFPKPSU-VIFPVBQESA-N 0 0 209.676 2.161 10 0 BEAERN Cc1ccc([C@H](NN)C(F)(F)Cl)cc1 ZINC000229805948 372196304 /nfs/dbraw/zinc/19/63/04/372196304.db2.gz QCIOEDNQDOFSSB-QMMMGPOBSA-N 0 0 220.650 2.331 10 0 BEAERN Nc1csc(-c2ccncc2Cl)n1 ZINC000059602653 372199475 /nfs/dbraw/zinc/19/94/75/372199475.db2.gz KGSREFIEDCGKRZ-UHFFFAOYSA-N 0 0 211.677 2.441 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000171067737 372290502 /nfs/dbraw/zinc/29/05/02/372290502.db2.gz HGFRFFFRQHHEEE-CHKWXVPMSA-N 0 0 222.115 2.095 10 0 BEAERN CC(C)CCSCC(=O)N[C@@H]1C[C@@H]1C ZINC000171045454 372273620 /nfs/dbraw/zinc/27/36/20/372273620.db2.gz YVJYBMKHAREGSY-VHSXEESVSA-N 0 0 215.362 2.290 10 0 BEAERN CC(C)CCSCC(=O)N[C@H]1C[C@H]1C ZINC000171045445 372273799 /nfs/dbraw/zinc/27/37/99/372273799.db2.gz YVJYBMKHAREGSY-ZJUUUORDSA-N 0 0 215.362 2.290 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000171056399 372281447 /nfs/dbraw/zinc/28/14/47/372281447.db2.gz YPWUDWDGINYNJR-FFWSUHOLSA-N 0 0 247.191 2.381 10 0 BEAERN CCCc1nccnc1N1CCC[C@@](O)(CC)C1 ZINC000631486017 372390263 /nfs/dbraw/zinc/39/02/63/372390263.db2.gz CPDVCJJLWAKLNF-AWEZNQCLSA-N 0 0 249.358 2.170 10 0 BEAERN O=C(CCO)Nc1cc(Cl)ccc1Cl ZINC000036757561 181918423 /nfs/dbraw/zinc/91/84/23/181918423.db2.gz XURJFXSXRYEQJD-UHFFFAOYSA-N 0 0 234.082 2.314 10 0 BEAERN COC[C@@H](C)C(=O)NCc1cc2ccccc2o1 ZINC000171451105 372588461 /nfs/dbraw/zinc/58/84/61/372588461.db2.gz XXMXXVKWTCOQJX-SNVBAGLBSA-N 0 0 247.294 2.332 10 0 BEAERN Fc1ccc(Br)cc1OC[C@@H]1CO1 ZINC000140761163 372780569 /nfs/dbraw/zinc/78/05/69/372780569.db2.gz GRHYGTLYRAOWLM-ZETCQYMHSA-N 0 0 247.063 2.366 10 0 BEAERN NC(=O)N1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000140846284 372807764 /nfs/dbraw/zinc/80/77/64/372807764.db2.gz MWQPXLZDUJNNNA-CYBMUJFWSA-N 0 0 241.294 2.450 10 0 BEAERN CCc1ccccc1OCC1N=NC(=S)N1C ZINC000008732774 372868244 /nfs/dbraw/zinc/86/82/44/372868244.db2.gz HHAXDNJNHSARRT-UHFFFAOYSA-N 0 0 249.339 2.245 10 0 BEAERN c1ccc2c(c1)[nH]nc2C1CCOCC1 ZINC000141409649 372943280 /nfs/dbraw/zinc/94/32/80/372943280.db2.gz LNNWPJUBHNZBNK-UHFFFAOYSA-N 0 0 202.257 2.457 10 0 BEAERN O=C(Cc1c[nH]cn1)Nc1ccc(Cl)cc1 ZINC000103586710 182025637 /nfs/dbraw/zinc/02/56/37/182025637.db2.gz UYXLTZLEPQPADG-JTQLQIEISA-N 0 0 235.674 2.150 10 0 BEAERN O=C1CCC[S@@](=O)c2ccc(Cl)cc21 ZINC000039342328 372951518 /nfs/dbraw/zinc/95/15/18/372951518.db2.gz GKOPXLCBZHBHBJ-AWEZNQCLSA-N 0 0 228.700 2.424 10 0 BEAERN O=C(Cc1ccc[nH]1)NCCCc1ccccc1 ZINC000074701197 182039415 /nfs/dbraw/zinc/03/94/15/182039415.db2.gz VATOBDROJPTXTM-UHFFFAOYSA-N 0 0 242.322 2.306 10 0 BEAERN O=C(Cc1cccnc1)NCCC1=CCCC1 ZINC000131558295 182047842 /nfs/dbraw/zinc/04/78/42/182047842.db2.gz BSULCOUPCXPLSA-UHFFFAOYSA-N 0 0 230.311 2.241 10 0 BEAERN O=C(Cc1cccc(Cl)c1)N1CCCO1 ZINC000125368906 182041215 /nfs/dbraw/zinc/04/12/15/182041215.db2.gz UXBWSEQMTVQTKG-UHFFFAOYSA-N 0 0 225.675 2.046 10 0 BEAERN O=C(Cc1cccs1)OCCc1ccccn1 ZINC000095935229 182052214 /nfs/dbraw/zinc/05/22/14/182052214.db2.gz YQBWFXMIXSQWDE-UHFFFAOYSA-N 0 0 247.319 2.472 10 0 BEAERN O=C(Cn1cnc2ccccc21)C1CC1 ZINC000068897773 373085422 /nfs/dbraw/zinc/08/54/22/373085422.db2.gz FYZMXESSVLXZBT-UHFFFAOYSA-N 0 0 200.241 2.015 10 0 BEAERN Cc1nn(CC(=O)C2CC2)c(C)c1Cl ZINC000068900520 373086371 /nfs/dbraw/zinc/08/63/71/373086371.db2.gz OTJOGMVSNKOXNI-UHFFFAOYSA-N 0 0 212.680 2.132 10 0 BEAERN O=C(Cn1cccc1)Nc1ccccc1 ZINC000012341755 182067182 /nfs/dbraw/zinc/06/71/82/182067182.db2.gz HEAVLHMGMKGXPX-UHFFFAOYSA-N 0 0 200.241 2.127 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)c2ccnn2C)C1 ZINC000069019769 373105820 /nfs/dbraw/zinc/10/58/20/373105820.db2.gz WCZKOTFFEYCDPT-ZJUUUORDSA-N 0 0 206.289 2.429 10 0 BEAERN Cn1nccc1-c1ccc(Cl)c(N)c1 ZINC000069019936 373107734 /nfs/dbraw/zinc/10/77/34/373107734.db2.gz UCWTVLHKLTWRFR-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN C[C@@H]1CCC[C@H](C(=O)c2nccn2C)C1 ZINC000069028562 373108326 /nfs/dbraw/zinc/10/83/26/373108326.db2.gz QNIXSLNQQDQILC-ZJUUUORDSA-N 0 0 206.289 2.429 10 0 BEAERN Nc1ccsc1C(=O)NCc1ccccc1 ZINC000040295985 373167697 /nfs/dbraw/zinc/16/76/97/373167697.db2.gz BEYSMVNQRBSUHZ-UHFFFAOYSA-N 0 0 232.308 2.260 10 0 BEAERN CC(C)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000069271541 373185124 /nfs/dbraw/zinc/18/51/24/373185124.db2.gz NAPCCAHFOLFWRQ-KBPBESRZSA-N 0 0 247.338 2.475 10 0 BEAERN O=C(N1CCCC[C@H]1c1cn[nH]c1)C(F)(F)F ZINC000082278003 182080628 /nfs/dbraw/zinc/08/06/28/182080628.db2.gz VJLRISYHZPJGEM-QMMMGPOBSA-N 0 0 247.220 2.026 10 0 BEAERN O=C(NC1C2CC3CC(C2)CC1C3)c1ccon1 ZINC000195384419 182093443 /nfs/dbraw/zinc/09/34/43/182093443.db2.gz NXZGPPPGEJIYBF-UHFFFAOYSA-N 0 0 246.310 2.229 10 0 BEAERN CC(C)(C)CNC(=O)c1sccc1N ZINC000040494556 166587696 /nfs/dbraw/zinc/58/76/96/166587696.db2.gz SCOHNOGPDHEALP-UHFFFAOYSA-N 0 0 212.318 2.106 10 0 BEAERN O=C(NC1CCSCC1)N1C[C@H]2CCC[C@H]21 ZINC000336526351 182117325 /nfs/dbraw/zinc/11/73/25/182117325.db2.gz BJBFQQKMMJTGHQ-MWLCHTKSSA-N 0 0 240.372 2.076 10 0 BEAERN Cc1ccccc1CCCSC[C@@H](O)CO ZINC000175747275 205576216 /nfs/dbraw/zinc/57/62/16/205576216.db2.gz DTPHXOJEQYFMEW-ZDUSSCGKSA-N 0 0 240.368 2.014 10 0 BEAERN Nc1ccc(-c2coc3ncnc(N)c23)cc1 ZINC000040537838 373460388 /nfs/dbraw/zinc/46/03/88/373460388.db2.gz SLVOUBJRZRZUON-UHFFFAOYSA-N 0 0 226.239 2.054 10 0 BEAERN O=C(NCC1CC1)C1(c2ccc(F)cc2)CC1 ZINC000044379186 182136657 /nfs/dbraw/zinc/13/66/57/182136657.db2.gz DXOKICAGPCIKQG-UHFFFAOYSA-N 0 0 233.286 2.384 10 0 BEAERN O=C(NCC1CC1)N1C[C@@H]2CCCCC[C@H]21 ZINC000371906087 182139000 /nfs/dbraw/zinc/13/90/00/182139000.db2.gz OCYXYUBQQOZBSF-NWDGAFQWSA-N 0 0 222.332 2.371 10 0 BEAERN O=C(NCC1CCC1)c1ccc2c(c1)CCN2 ZINC000037180772 182144514 /nfs/dbraw/zinc/14/45/14/182144514.db2.gz PHRAHPWTFYBCNY-UHFFFAOYSA-N 0 0 230.311 2.185 10 0 BEAERN O=C(NCCC1CCCC1)c1cscn1 ZINC000062659035 182155959 /nfs/dbraw/zinc/15/59/59/182155959.db2.gz OQXUCGBMRLSMCI-UHFFFAOYSA-N 0 0 224.329 2.453 10 0 BEAERN CCCCOC[C@H](O)CN(C)c1ccccc1 ZINC000193246099 205697475 /nfs/dbraw/zinc/69/74/75/205697475.db2.gz GTYRDWCYQXJZSU-CQSZACIVSA-N 0 0 237.343 2.300 10 0 BEAERN CCCCNC(=O)Cn1ccc2ccc(N)cc21 ZINC000049280457 168848776 /nfs/dbraw/zinc/84/87/76/168848776.db2.gz MSXAIEDMPTVJIG-UHFFFAOYSA-N 0 0 245.326 2.140 10 0 BEAERN O=C(NCCCc1ccccc1)n1ccnc1 ZINC000034511022 182175501 /nfs/dbraw/zinc/17/55/01/182175501.db2.gz QZXDSTVVCZTDKK-UHFFFAOYSA-N 0 0 229.283 2.074 10 0 BEAERN CCc1ccc(C(=O)N2CC[C@@H](O)C[C@H]2C)cc1 ZINC000633867663 373825375 /nfs/dbraw/zinc/82/53/75/373825375.db2.gz OOADHKBDQCWKFX-BXUZGUMPSA-N 0 0 247.338 2.234 10 0 BEAERN CSC1(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000188292621 205829435 /nfs/dbraw/zinc/82/94/35/205829435.db2.gz DSSCEKXXEWWPRL-QMMMGPOBSA-N 0 0 201.335 2.043 10 0 BEAERN Nc1n[nH]cc1Sc1ccccc1F ZINC000040999475 374023177 /nfs/dbraw/zinc/02/31/77/374023177.db2.gz GKPYBCAGPPLVRA-UHFFFAOYSA-N 0 0 209.249 2.282 10 0 BEAERN CC[C@@]1(C)C[C@@](N)(C(F)(F)F)CCO1 ZINC000069899895 373973385 /nfs/dbraw/zinc/97/33/85/373973385.db2.gz FZYNDSZUOFWWPN-JGVFFNPUSA-N 0 0 211.227 2.225 10 0 BEAERN CCC[C@@H]1C[C@@](N)(C(F)(F)F)CCO1 ZINC000069899955 373973494 /nfs/dbraw/zinc/97/34/94/373973494.db2.gz KABYYIVOPVSNOF-HTQZYQBOSA-N 0 0 211.227 2.225 10 0 BEAERN C[C@@H]1C[S@](=O)c2ccc(Cl)cc2C1=O ZINC000040972957 373974182 /nfs/dbraw/zinc/97/41/82/373974182.db2.gz FZVWXHDQIZXVIZ-RWBAJPLHSA-N 0 0 228.700 2.280 10 0 BEAERN C[C@H]1C[S@@](=O)c2ccc(Cl)cc2C1=O ZINC000040972955 373974343 /nfs/dbraw/zinc/97/43/43/373974343.db2.gz FZVWXHDQIZXVIZ-MDAAJZPYSA-N 0 0 228.700 2.280 10 0 BEAERN Cc1cc2c(cc1C)[S@](=O)[C@H](C)CC2=O ZINC000040973089 373975900 /nfs/dbraw/zinc/97/59/00/373975900.db2.gz LJOSTUCSYYNPTO-PSLIRLAXSA-N 0 0 222.309 2.386 10 0 BEAERN CCCCNC(=O)Nc1ccnn1CCC ZINC000043723074 168853943 /nfs/dbraw/zinc/85/39/43/168853943.db2.gz XTSVMVXBGVXHKH-UHFFFAOYSA-N 0 0 224.308 2.215 10 0 BEAERN Nc1ccc(C(=O)[C@H]2CCCCO2)cc1 ZINC000070041786 374114661 /nfs/dbraw/zinc/11/46/61/374114661.db2.gz MUNJWOHKJBALEC-LLVKDONJSA-N 0 0 205.257 2.021 10 0 BEAERN O=C(c1ccccc1)[C@H]1CCCN1C(=O)C1CC1 ZINC000041342216 374132944 /nfs/dbraw/zinc/13/29/44/374132944.db2.gz PJULMHDEIGNYKE-CYBMUJFWSA-N 0 0 243.306 2.270 10 0 BEAERN CSCC(=O)c1ccc2c(c1)COC2 ZINC000069984514 374106181 /nfs/dbraw/zinc/10/61/81/374106181.db2.gz ILLFKQQWNDIMFT-UHFFFAOYSA-N 0 0 208.282 2.263 10 0 BEAERN CSCCC(=O)c1ccc2c(c1)OCO2 ZINC000069984259 374106516 /nfs/dbraw/zinc/10/65/16/374106516.db2.gz DCYHBCISGIKWBK-UHFFFAOYSA-N 0 0 224.281 2.351 10 0 BEAERN Cc1nn(-c2cc(Cl)ncn2)cc1Cl ZINC000070704006 374180171 /nfs/dbraw/zinc/18/01/71/374180171.db2.gz GYQFWZYEBHKTFE-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN C[C@@H]1C(=O)CCCN1C(=O)OCc1ccccc1 ZINC000143307026 374148894 /nfs/dbraw/zinc/14/88/94/374148894.db2.gz WHIVJARRXOGLFF-LLVKDONJSA-N 0 0 247.294 2.377 10 0 BEAERN C[N@H+](/C=C\C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000381918997 374168374 /nfs/dbraw/zinc/16/83/74/374168374.db2.gz JYSOTIXEFCNVEC-HERLMWBLSA-N 0 0 209.289 2.095 10 0 BEAERN O=C(NC[C@H]1CCCCC1=O)c1ccccc1 ZINC000015771154 182237011 /nfs/dbraw/zinc/23/70/11/182237011.db2.gz FREXZTZMFIJEMQ-GFCCVEGCSA-N 0 0 231.295 2.176 10 0 BEAERN CCc1cc(Br)cnc1OC ZINC000143380994 374172972 /nfs/dbraw/zinc/17/29/72/374172972.db2.gz KLCGTGRVEXXNPH-UHFFFAOYSA-N 0 0 216.078 2.415 10 0 BEAERN Cc1ccnn1CC(=O)c1cccs1 ZINC000070685729 374177120 /nfs/dbraw/zinc/17/71/20/374177120.db2.gz ASAWIYWDJAVADM-UHFFFAOYSA-N 0 0 206.270 2.136 10 0 BEAERN Cc1nn(CC(=O)C(C)(C)C)cc1Cl ZINC000070703923 374178687 /nfs/dbraw/zinc/17/86/87/374178687.db2.gz DBCATVVUKLCLFR-UHFFFAOYSA-N 0 0 214.696 2.460 10 0 BEAERN O=c1c(Cl)c[nH]c2cc(F)cc(F)c12 ZINC000041702125 374178734 /nfs/dbraw/zinc/17/87/34/374178734.db2.gz ZCFKYCOFJTZXBH-UHFFFAOYSA-N 0 0 215.586 2.460 10 0 BEAERN Cc1nn(-c2cncc(Cl)n2)cc1Cl ZINC000070703991 374178989 /nfs/dbraw/zinc/17/89/89/374178989.db2.gz KAIBLHROOCNWSO-UHFFFAOYSA-N 0 0 229.070 2.278 10 0 BEAERN C[NH+](C)[C@]1(CC(=O)[O-])CCCC(C)(C)C1 ZINC000070822380 374193365 /nfs/dbraw/zinc/19/33/65/374193365.db2.gz HZYKWTKWSDTZJG-LBPRGKRZSA-N 0 0 213.321 2.362 10 0 BEAERN CC(=O)c1csc(N2CC[C@H](C)C2)n1 ZINC000070849534 374205223 /nfs/dbraw/zinc/20/52/23/374205223.db2.gz CVFCRBDNSHXOTB-ZETCQYMHSA-N 0 0 210.302 2.192 10 0 BEAERN COc1cc(C(N)=O)c(Cl)cc1Cl ZINC000143601505 374229018 /nfs/dbraw/zinc/22/90/18/374229018.db2.gz OESXXEQRIVFWTL-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O ZINC000144049052 374269598 /nfs/dbraw/zinc/26/95/98/374269598.db2.gz CBZNOKAFOMSSLW-UTLUCORTSA-N 0 0 229.320 2.061 10 0 BEAERN O[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000070963616 374235327 /nfs/dbraw/zinc/23/53/27/374235327.db2.gz MBNUPAYPYVBQLY-LLVKDONJSA-N 0 0 212.676 2.034 10 0 BEAERN O[C@]1(Cc2ccccc2Cl)CCOC1 ZINC000070963167 374236582 /nfs/dbraw/zinc/23/65/82/374236582.db2.gz XIXJAEVMRWNVNY-NSHDSACASA-N 0 0 212.676 2.034 10 0 BEAERN O[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000070963600 374236723 /nfs/dbraw/zinc/23/67/23/374236723.db2.gz SKYMIWXAXSIIHI-LLVKDONJSA-N 0 0 212.676 2.034 10 0 BEAERN CC(=O)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000070996670 374237772 /nfs/dbraw/zinc/23/77/72/374237772.db2.gz WKWGMNXLARQYDP-ZCFIWIBFSA-N 0 0 222.269 2.491 10 0 BEAERN CSCc1noc([C@@H]2CCCCC2=O)n1 ZINC000070997117 374239126 /nfs/dbraw/zinc/23/91/26/374239126.db2.gz HHOAEMIELMGRJK-SSDOTTSWSA-N 0 0 226.301 2.159 10 0 BEAERN O=C(N[C@@H]1CCCOC1)c1ccc2cc[nH]c2c1 ZINC000111237062 182296155 /nfs/dbraw/zinc/29/61/55/182296155.db2.gz IYGHPNFYXUJHOP-GFCCVEGCSA-N 0 0 244.294 2.077 10 0 BEAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@H]1CCCO1 ZINC000049352599 182312688 /nfs/dbraw/zinc/31/26/88/182312688.db2.gz DDUSJOMASJUXSJ-CHWSQXEVSA-N 0 0 249.285 2.108 10 0 BEAERN O=C(N[C@H]1CCCOC1)c1cc2ccccc2[nH]1 ZINC000103957697 182330590 /nfs/dbraw/zinc/33/05/90/182330590.db2.gz ZAHMWUDMSSCIBQ-NSHDSACASA-N 0 0 244.294 2.077 10 0 BEAERN O=C(Nc1ccccc1)N1CCCC[C@H](CO)C1 ZINC000363357236 182375854 /nfs/dbraw/zinc/37/58/54/182375854.db2.gz XHEFZDQCQQKONT-LBPRGKRZSA-N 0 0 248.326 2.313 10 0 BEAERN O=C(Nc1ccccc1)N1CCC[C@@H]1CCCO ZINC000052760682 182375863 /nfs/dbraw/zinc/37/58/63/182375863.db2.gz ABJCJEHOJVUDNW-CYBMUJFWSA-N 0 0 248.326 2.455 10 0 BEAERN O=C(Nc1ccccc1CO)[C@H]1CC=CCC1 ZINC000049361797 182377699 /nfs/dbraw/zinc/37/76/99/182377699.db2.gz WRWXUEQKFWANQG-NSHDSACASA-N 0 0 231.295 2.474 10 0 BEAERN O=C(Nc1ccccc1CO)[C@@H]1CC=CCC1 ZINC000049361799 182378227 /nfs/dbraw/zinc/37/82/27/182378227.db2.gz WRWXUEQKFWANQG-LLVKDONJSA-N 0 0 231.295 2.474 10 0 BEAERN CCNC(=O)c1cc(C(C)(C)C)sc1N ZINC000105065034 170099768 /nfs/dbraw/zinc/09/97/68/170099768.db2.gz GZEGLYPOQWQBTJ-UHFFFAOYSA-N 0 0 226.345 2.378 10 0 BEAERN O=C([O-])C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000042163199 182478646 /nfs/dbraw/zinc/47/86/46/182478646.db2.gz CPNNKMDMUJGDLG-NSHDSACASA-N 0 0 211.305 2.258 10 0 BEAERN O=C([O-])[C@H]([NH2+]C1CCCC1)[C@@H]1CC=CCC1 ZINC000037969276 182526871 /nfs/dbraw/zinc/52/68/71/182526871.db2.gz KIDASWFKVFIGJD-ZYHUDNBSSA-N 0 0 223.316 2.328 10 0 BEAERN CCCCOC(=O)COc1ccc(NC)cc1 ZINC000038057065 168884813 /nfs/dbraw/zinc/88/48/13/168884813.db2.gz RCCMQRNLIKWFGA-UHFFFAOYSA-N 0 0 237.299 2.450 10 0 BEAERN O=C(c1c[nH]cn1)c1ccc(Cl)cc1 ZINC000005286197 182658049 /nfs/dbraw/zinc/65/80/49/182658049.db2.gz WQPFXWJGTTUVJK-UHFFFAOYSA-N 0 0 206.632 2.294 10 0 BEAERN O=C(c1cccc2ccccc21)N1CC[C@H](O)C1 ZINC000061704333 182675856 /nfs/dbraw/zinc/67/58/56/182675856.db2.gz PGJVZNIOHNJXEP-LBPRGKRZSA-N 0 0 241.290 2.047 10 0 BEAERN O=C(c1ccncc1)c1ccccc1F ZINC000002525002 182689189 /nfs/dbraw/zinc/68/91/89/182689189.db2.gz HTFKEIHOQBEEHP-UHFFFAOYSA-N 0 0 201.200 2.452 10 0 BEAERN O=C(c1cncnc1)C1(c2ccccc2)CC1 ZINC000062780510 182701228 /nfs/dbraw/zinc/70/12/28/182701228.db2.gz CDBXSBBSFXWALB-UHFFFAOYSA-N 0 0 224.263 2.391 10 0 BEAERN O=C(c1cnns1)N1CCC[C@@H]1c1ccco1 ZINC000116047446 182703150 /nfs/dbraw/zinc/70/31/50/182703150.db2.gz JDNCCQNZZMSRFR-MRVPVSSYSA-N 0 0 249.295 2.108 10 0 BEAERN O=c1ccc(C(F)(F)C(F)(F)F)c[nH]1 ZINC000091252462 182721673 /nfs/dbraw/zinc/72/16/73/182721673.db2.gz VJJLCCIUDHYYKA-UHFFFAOYSA-N 0 0 213.105 2.112 10 0 BEAERN O=C1CCC(c2ccc(-n3cccc3)cc2)=NN1 ZINC000029210179 182723717 /nfs/dbraw/zinc/72/37/17/182723717.db2.gz KRLOATHQDWARFP-UHFFFAOYSA-N 0 0 239.278 2.091 10 0 BEAERN O=C1CCN(CC2CC2)c2ccccc2N1 ZINC000128107273 182740964 /nfs/dbraw/zinc/74/09/64/182740964.db2.gz IOJKJGHSUPRBKM-UHFFFAOYSA-N 0 0 216.284 2.245 10 0 BEAERN O=C1CCc2cc(Br)c(O)cc2O1 ZINC000067172264 182755917 /nfs/dbraw/zinc/75/59/17/182755917.db2.gz UCKCSVJDIQOXSK-UHFFFAOYSA-N 0 0 243.056 2.006 10 0 BEAERN O=C1C[C@@H](c2cccc(F)c2)SCCN1 ZINC000090397243 182777790 /nfs/dbraw/zinc/77/77/90/182777790.db2.gz MNMHEYGFMZDNRO-JTQLQIEISA-N 0 0 225.288 2.120 10 0 BEAERN O=C1NCCCC[C@H]1Nc1ccc(F)c(F)c1 ZINC000020050399 182799181 /nfs/dbraw/zinc/79/91/81/182799181.db2.gz UBCOQNDCFRQJSW-LLVKDONJSA-N 0 0 240.253 2.045 10 0 BEAERN O=C1c2ccccc2C[C@@H]1n1nnc2ccccc21 ZINC000005685402 182845460 /nfs/dbraw/zinc/84/54/60/182845460.db2.gz NYWQLLWBLZYQJY-AWEZNQCLSA-N 0 0 249.273 2.411 10 0 BEAERN O=C1OCCOc2c3cccc(Cl)c3ncc21 ZINC000053994759 182827960 /nfs/dbraw/zinc/82/79/60/182827960.db2.gz ISEYQORCFITKQR-UHFFFAOYSA-N 0 0 249.653 2.437 10 0 BEAERN O=C1O[C@@H](c2cccs2)CN1C1CC1 ZINC000041218515 182836658 /nfs/dbraw/zinc/83/66/58/182836658.db2.gz VOUXRAFGKNZHKS-MRVPVSSYSA-N 0 0 209.270 2.404 10 0 BEAERN O=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000034956918 182860646 /nfs/dbraw/zinc/86/06/46/182860646.db2.gz ZYJVTZVRZMCKMI-UHFFFAOYSA-N 0 0 208.167 2.167 10 0 BEAERN O=Cc1cc(OC2CC2)c(C(F)(F)F)cn1 ZINC000095741712 182863290 /nfs/dbraw/zinc/86/32/90/182863290.db2.gz QTTYTZWDELHMHT-UHFFFAOYSA-N 0 0 231.173 2.454 10 0 BEAERN O=Cc1ccc(N(CCO)C2CCCCC2)o1 ZINC000050544306 182867441 /nfs/dbraw/zinc/86/74/41/182867441.db2.gz JCDLMICNYIKUIA-UHFFFAOYSA-N 0 0 237.299 2.224 10 0 BEAERN O=Cc1cnc2sc3c(n12)CCCC3 ZINC000031974659 182874818 /nfs/dbraw/zinc/87/48/18/182874818.db2.gz YIHGCURMSBJZSY-UHFFFAOYSA-N 0 0 206.270 2.087 10 0 BEAERN O=S1CCC(Nc2cc(F)cc(F)c2)CC1 ZINC000042335777 182917554 /nfs/dbraw/zinc/91/75/54/182917554.db2.gz QVRNBPQKBBVSFZ-UHFFFAOYSA-N 0 0 245.294 2.288 10 0 BEAERN O=c1c2cccnc2sn1-c1ccccc1 ZINC000002507626 182990774 /nfs/dbraw/zinc/99/07/74/182990774.db2.gz LUMATLSEPMKELP-UHFFFAOYSA-N 0 0 228.276 2.447 10 0 BEAERN O=c1cc(C2CC2)nc(-c2cccc(F)c2)[nH]1 ZINC000104067336 182993047 /nfs/dbraw/zinc/99/30/47/182993047.db2.gz XVZPPAXTGMRQEY-UHFFFAOYSA-N 0 0 230.242 2.453 10 0 BEAERN O=c1[nH]cc(Cl)cc1-c1cccnc1 ZINC000047212533 182976828 /nfs/dbraw/zinc/97/68/28/182976828.db2.gz VIYPGFYPRQILNO-UHFFFAOYSA-N 0 0 206.632 2.090 10 0 BEAERN O=c1[nH]ccc2cc(F)c(Br)cc12 ZINC000090548889 182977318 /nfs/dbraw/zinc/97/73/18/182977318.db2.gz QLALLSRWJRAJOS-UHFFFAOYSA-N 0 0 242.047 2.430 10 0 BEAERN O=c1ccc(-c2ccccc2OC(F)F)n[nH]1 ZINC000036168308 182998758 /nfs/dbraw/zinc/99/87/58/182998758.db2.gz LOBSMZBPYOVDFX-UHFFFAOYSA-N 0 0 238.193 2.038 10 0 BEAERN O=c1ccc2c(-c3cccnc3)ccc(O)c2[nH]1 ZINC000026493511 183001031 /nfs/dbraw/zinc/00/10/31/183001031.db2.gz JPNBEZJWSKEHIX-UHFFFAOYSA-N 0 0 238.246 2.296 10 0 BEAERN O=c1cccnn1CCNc1cccc(Cl)c1 ZINC000061405070 183003254 /nfs/dbraw/zinc/00/32/54/183003254.db2.gz QEUWOWXFVLOWCB-UHFFFAOYSA-N 0 0 249.701 2.009 10 0 BEAERN O=c1ncn(C/C=C/Cl)c2ccccc12 ZINC000098180550 183011345 /nfs/dbraw/zinc/01/13/45/183011345.db2.gz YFXRPRFDYKCPFK-ZZXKWVIFSA-N 0 0 220.659 2.149 10 0 BEAERN O=c1ncn(Cc2ccccc2)c2ccccc12 ZINC000098180555 183012260 /nfs/dbraw/zinc/01/22/60/183012260.db2.gz VMGQQUFKLFUSDE-UHFFFAOYSA-N 0 0 236.274 2.445 10 0 BEAERN OC1CCC(Nc2ccc(Cl)cn2)CC1 ZINC000020004829 183028582 /nfs/dbraw/zinc/02/85/82/183028582.db2.gz QHMAMVHSVNLHIB-UHFFFAOYSA-N 0 0 226.707 2.450 10 0 BEAERN OC1CCC(Nc2nc3ccccc3[nH]2)CC1 ZINC000037498291 183029764 /nfs/dbraw/zinc/02/97/64/183029764.db2.gz KTHZUSQLHWUIPV-UHFFFAOYSA-N 0 0 231.299 2.278 10 0 BEAERN OC/C=C\c1cccc(Br)c1 ZINC000147772512 183015068 /nfs/dbraw/zinc/01/50/68/183015068.db2.gz FSYTZONKJWJPPJ-RQOWECAXSA-N 0 0 213.074 2.455 10 0 BEAERN OC1(CNc2ccnc(C3CC3)n2)CCCCC1 ZINC000112554602 183021877 /nfs/dbraw/zinc/02/18/77/183021877.db2.gz HHOXCPBLBAMHQT-UHFFFAOYSA-N 0 0 247.342 2.461 10 0 BEAERN OC1(c2cncc(F)c2)Cc2ccccc2C1 ZINC000049576943 183022677 /nfs/dbraw/zinc/02/26/77/183022677.db2.gz CQHCLXNJVAWCBV-UHFFFAOYSA-N 0 0 229.254 2.207 10 0 BEAERN OC1(c2ccccc2Br)CC1 ZINC000054346779 183023678 /nfs/dbraw/zinc/02/36/78/183023678.db2.gz AJTDUKPCPXJUMK-UHFFFAOYSA-N 0 0 213.074 2.431 10 0 BEAERN OCCCCCCC(=S)N1CCCC1 ZINC000039124825 183043841 /nfs/dbraw/zinc/04/38/41/183043841.db2.gz HQJZIKPGHQAULF-UHFFFAOYSA-N 0 0 215.362 2.352 10 0 BEAERN OCC1(Nc2ccc(F)cn2)CCCCC1 ZINC000053096615 183039643 /nfs/dbraw/zinc/03/96/43/183039643.db2.gz SKLJAKRROUFWDY-UHFFFAOYSA-N 0 0 224.279 2.328 10 0 BEAERN OCCCNc1ccccc1C(F)(F)F ZINC000043444116 183060487 /nfs/dbraw/zinc/06/04/87/183060487.db2.gz ISNRTGBBXRRXQZ-UHFFFAOYSA-N 0 0 219.206 2.500 10 0 BEAERN OCCSCc1c[nH]c2ccccc12 ZINC000039194784 183090049 /nfs/dbraw/zinc/09/00/49/183090049.db2.gz LRKWAOMRJQBLFD-UHFFFAOYSA-N 0 0 207.298 2.393 10 0 BEAERN OC[C@@H](Nc1nc2ccccc2[nH]1)c1ccco1 ZINC000301887546 183111928 /nfs/dbraw/zinc/11/19/28/183111928.db2.gz PMZGGHYPYMOFBO-LLVKDONJSA-N 0 0 243.266 2.301 10 0 BEAERN OC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000034497200 183114301 /nfs/dbraw/zinc/11/43/01/183114301.db2.gz JIZNWTMJWUOLIZ-CQSZACIVSA-N 0 0 214.264 2.379 10 0 BEAERN OC[C@@H]1CCCCC[C@H]1Nc1ccccn1 ZINC000301794384 183115938 /nfs/dbraw/zinc/11/59/38/183115938.db2.gz SOACWKKFDJCGNJ-NWDGAFQWSA-N 0 0 220.316 2.435 10 0 BEAERN OC[C@@H]1CCCCN(c2ccnc(Cl)c2)C1 ZINC000363939344 183116979 /nfs/dbraw/zinc/11/69/79/183116979.db2.gz SDWYXOBEYKECPB-SNVBAGLBSA-N 0 0 240.734 2.334 10 0 BEAERN OC[C@@H]1CCCN1c1cccc(O)c1Cl ZINC000145820172 183120406 /nfs/dbraw/zinc/12/04/06/183120406.db2.gz CXROCNOZAXIEJM-QMMMGPOBSA-N 0 0 227.691 2.007 10 0 BEAERN OCCc1ccccc1C1=CCCCO1 ZINC000211749563 183099570 /nfs/dbraw/zinc/09/95/70/183099570.db2.gz DQSJDPZTFRQTTR-UHFFFAOYSA-N 0 0 204.269 2.373 10 0 BEAERN OCCc1cc(F)ccc1Br ZINC000069049534 183099886 /nfs/dbraw/zinc/09/98/86/183099886.db2.gz WCHMYCOJRHCHAK-UHFFFAOYSA-N 0 0 219.053 2.123 10 0 BEAERN OCNc1nc2ccc(Cl)cc2s1 ZINC000045237337 183103553 /nfs/dbraw/zinc/10/35/53/183103553.db2.gz AAKGNTFFIOCWJK-UHFFFAOYSA-N 0 0 214.677 2.311 10 0 BEAERN OC[C@@H](Nc1cccc(F)n1)c1ccccc1 ZINC000063012019 183109299 /nfs/dbraw/zinc/10/92/99/183109299.db2.gz UKFHGYOKBFGQSJ-LLVKDONJSA-N 0 0 232.258 2.366 10 0 BEAERN OC[C@@]1(Nc2ccccc2)CCCSC1 ZINC000061590849 183134887 /nfs/dbraw/zinc/13/48/87/183134887.db2.gz ICEKDSIFGNHJOH-LBPRGKRZSA-N 0 0 223.341 2.357 10 0 BEAERN CCCCc1ccc(N2CCC(=O)C2=O)cc1 ZINC000049646936 169020881 /nfs/dbraw/zinc/02/08/81/169020881.db2.gz SLUDFVNLHWHWOY-UHFFFAOYSA-N 0 0 231.295 2.335 10 0 BEAERN OC[C@H](NC1CC1)c1c(F)cccc1Cl ZINC000038124302 183138653 /nfs/dbraw/zinc/13/86/53/183138653.db2.gz NDLWRGZJJTUERI-JTQLQIEISA-N 0 0 229.682 2.265 10 0 BEAERN OC[C@H](NCC(F)(F)F)c1ccc(F)cc1 ZINC000038111791 183139448 /nfs/dbraw/zinc/13/94/48/183139448.db2.gz VASJPQKGSVTLRV-VIFPVBQESA-N 0 0 237.196 2.011 10 0 BEAERN CCCCc1nc(Cl)c(C(=O)OC)[nH]1 ZINC000044199765 169026012 /nfs/dbraw/zinc/02/60/12/169026012.db2.gz FVTWQMSKNDMYNK-UHFFFAOYSA-N 0 0 216.668 2.192 10 0 BEAERN OC[C@@H]1CNc2ccc(Br)cc2C1 ZINC000011633127 183128352 /nfs/dbraw/zinc/12/83/52/183128352.db2.gz ATBGYOJHVJSUME-ZETCQYMHSA-N 0 0 242.116 2.026 10 0 BEAERN OC[C@@H]1C[C@H]1Nc1nc2ccccc2s1 ZINC000335288209 183131315 /nfs/dbraw/zinc/13/13/15/183131315.db2.gz RAXDODJDLGIYMK-IONNQARKSA-N 0 0 220.297 2.089 10 0 BEAERN OC[C@H]1CCCCN(c2nc3ccccc3[nH]2)C1 ZINC000378298334 183147035 /nfs/dbraw/zinc/14/70/35/183147035.db2.gz YJSSIWVZNBDCTQ-NSHDSACASA-N 0 0 245.326 2.162 10 0 BEAERN CCCCc1noc([C@H]2CCC[C@@H](O)C2)n1 ZINC000303798198 169032867 /nfs/dbraw/zinc/03/28/67/169032867.db2.gz SKGHOGKXPSQSCT-VHSXEESVSA-N 0 0 224.304 2.431 10 0 BEAERN CCCCn1c2ccccc2n(CC(C)=O)c1=N ZINC000032600381 169032980 /nfs/dbraw/zinc/03/29/80/169032980.db2.gz SLFOKPCHWQVFAN-UHFFFAOYSA-N 0 0 245.326 2.311 10 0 BEAERN CCCCn1c(C(F)(F)F)ccc(N)c1=O ZINC000032629178 169033532 /nfs/dbraw/zinc/03/35/32/169033532.db2.gz NDDHWKUKWFGLCU-UHFFFAOYSA-N 0 0 234.221 2.249 10 0 BEAERN OC[C@H]1CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000227983458 183148860 /nfs/dbraw/zinc/14/88/60/183148860.db2.gz XKHLKBUIVVQSQS-RKDXNWHRSA-N 0 0 241.722 2.093 10 0 BEAERN OC[C@H]1CCOc2c(Br)cccc21 ZINC000145735014 183153945 /nfs/dbraw/zinc/15/39/45/183153945.db2.gz SRXINTHCZOJTFI-SSDOTTSWSA-N 0 0 243.100 2.308 10 0 BEAERN OC[C@]1(Nc2ccccc2)CCCSC1 ZINC000061590850 183158675 /nfs/dbraw/zinc/15/86/75/183158675.db2.gz ICEKDSIFGNHJOH-GFCCVEGCSA-N 0 0 223.341 2.357 10 0 BEAERN OC[C@]1(Nc2cccc(F)c2)CCSC1 ZINC000038119041 183159728 /nfs/dbraw/zinc/15/97/28/183159728.db2.gz TWWPOBOIUIFHRN-LLVKDONJSA-N 0 0 227.304 2.106 10 0 BEAERN OCc1ccc(-c2ccc(F)cc2)nc1 ZINC000039927641 183161205 /nfs/dbraw/zinc/16/12/05/183161205.db2.gz HRJSEQHITGOQTP-UHFFFAOYSA-N 0 0 203.216 2.380 10 0 BEAERN CCCN(C(=O)CCOC)c1cccc(N)c1 ZINC000063108873 169042302 /nfs/dbraw/zinc/04/23/02/169042302.db2.gz TVXVZBYGCZWMGU-UHFFFAOYSA-N 0 0 236.315 2.048 10 0 BEAERN OCc1cc2cc(Br)ccc2cn1 ZINC000095934476 183162179 /nfs/dbraw/zinc/16/21/79/183162179.db2.gz SVROANRAODJATE-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN OCc1ccc(C(F)(F)OF)c(F)c1 ZINC000091353382 183163146 /nfs/dbraw/zinc/16/31/46/183163146.db2.gz FMELAOVLJCMMFZ-UHFFFAOYSA-N 0 0 210.126 2.268 10 0 BEAERN CCCN(C(=O)c1ccc(OC)c(N)c1)C1CC1 ZINC000037096580 169047699 /nfs/dbraw/zinc/04/76/99/169047699.db2.gz YXSOTNJTCHHRDK-UHFFFAOYSA-N 0 0 248.326 2.292 10 0 BEAERN O[C@@H](CNc1ncc(Cl)cn1)C1CCCC1 ZINC000301500645 183182411 /nfs/dbraw/zinc/18/24/11/183182411.db2.gz WVHNIYFDDLQRPZ-JTQLQIEISA-N 0 0 241.722 2.093 10 0 BEAERN O[C@@H](Cc1ccncc1)Cc1cccc(F)c1 ZINC000053134332 183183885 /nfs/dbraw/zinc/18/38/85/183183885.db2.gz QTUPDQLERMCTDU-AWEZNQCLSA-N 0 0 231.270 2.367 10 0 BEAERN OCc1ccc2c(c1)C(C1CC1)=CCO2 ZINC000222923648 183166319 /nfs/dbraw/zinc/16/63/19/183166319.db2.gz DCDGIXKXINCCLZ-UHFFFAOYSA-N 0 0 202.253 2.365 10 0 BEAERN OCc1ccc(NCc2cccc(O)c2)cc1 ZINC000083356653 183166349 /nfs/dbraw/zinc/16/63/49/183166349.db2.gz RHCFDAYBKBYFLK-UHFFFAOYSA-N 0 0 229.279 2.497 10 0 BEAERN OCc1cccc(N2CCc3ccccc32)n1 ZINC000051041745 183167397 /nfs/dbraw/zinc/16/73/97/183167397.db2.gz RIUMUXBWMBCTDG-UHFFFAOYSA-N 0 0 226.279 2.268 10 0 BEAERN OCc1cccc(-c2nc3ccccc3[nH]2)n1 ZINC000027860811 183167640 /nfs/dbraw/zinc/16/76/40/183167640.db2.gz FHTRYNZRHHCMDG-UHFFFAOYSA-N 0 0 225.251 2.117 10 0 BEAERN OCc1cccc(C(F)(F)C(F)(F)F)n1 ZINC000169801982 183167720 /nfs/dbraw/zinc/16/77/20/183167720.db2.gz IQVGOXFUODMNIR-UHFFFAOYSA-N 0 0 227.132 2.228 10 0 BEAERN OCc1ccccc1OCc1ccncc1 ZINC000020032715 183168617 /nfs/dbraw/zinc/16/86/17/183168617.db2.gz DDRUWVNSOBXISB-UHFFFAOYSA-N 0 0 215.252 2.153 10 0 BEAERN O[C@@H](Cc1ncc[nH]1)[C@@H]1CCCc2ccccc21 ZINC000054669493 183184156 /nfs/dbraw/zinc/18/41/56/183184156.db2.gz SURRWMAEBICFRD-KGLIPLIRSA-N 0 0 242.322 2.433 10 0 BEAERN OCc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000049836841 183170830 /nfs/dbraw/zinc/17/08/30/183170830.db2.gz MFKFHZDBMOAPFW-UHFFFAOYSA-N 0 0 249.291 2.074 10 0 BEAERN ON(Cc1ccccc1)c1cccnc1 ZINC000073199252 183171572 /nfs/dbraw/zinc/17/15/72/183171572.db2.gz GEQWLALFCPUOBI-UHFFFAOYSA-N 0 0 200.241 2.477 10 0 BEAERN O[C@@H](CCc1ccncc1)c1cccnc1 ZINC000062167206 183174646 /nfs/dbraw/zinc/17/46/46/183174646.db2.gz PKVBLNSBZNDYJW-ZDUSSCGKSA-N 0 0 214.268 2.143 10 0 BEAERN O[C@@H]1CCN(c2ccccc2Br)C1 ZINC000077389558 183200783 /nfs/dbraw/zinc/20/07/83/183200783.db2.gz NGOWUSRWCBUIHJ-MRVPVSSYSA-N 0 0 242.116 2.020 10 0 BEAERN O[C@@H]1CCOC[C@@H]1Cc1cccc(Cl)c1 ZINC000095078340 183201892 /nfs/dbraw/zinc/20/18/92/183201892.db2.gz DLFADWLYHQWTNJ-CMPLNLGQSA-N 0 0 226.703 2.280 10 0 BEAERN O[C@@H]1CCOC[C@H]1Cc1c(F)cccc1Cl ZINC000095078307 183202043 /nfs/dbraw/zinc/20/20/43/183202043.db2.gz RIUGFBWYCLNRBF-PRHODGIISA-N 0 0 244.693 2.419 10 0 BEAERN O[C@@H]1CC[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000070771843 183205009 /nfs/dbraw/zinc/20/50/09/183205009.db2.gz VYIVVAWETQPIRG-GXSJLCMTSA-N 0 0 220.268 2.086 10 0 BEAERN O[C@@H]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000306843323 183205312 /nfs/dbraw/zinc/20/53/12/183205312.db2.gz GGNZIWPDDZNAGO-JGVFFNPUSA-N 0 0 212.680 2.060 10 0 BEAERN O[C@@H](c1ccc2ncccc2c1)[C@H]1CCOC1 ZINC000069051578 183185923 /nfs/dbraw/zinc/18/59/23/183185923.db2.gz TYWXLFDJIKGKSR-JSGCOSHPSA-N 0 0 229.279 2.305 10 0 BEAERN CCCN(C)C(=O)c1cc(N)c(C)c(F)c1 ZINC000037483988 169059488 /nfs/dbraw/zinc/05/94/88/169059488.db2.gz FUESGHCVZIWFJI-UHFFFAOYSA-N 0 0 224.279 2.198 10 0 BEAERN O[C@@H](c1nccs1)c1ccccc1F ZINC000075872596 183186641 /nfs/dbraw/zinc/18/66/41/183186641.db2.gz ITNOGAXRZJVUFG-SECBINFHSA-N 0 0 209.245 2.364 10 0 BEAERN CCCN(C)C(=O)c1ccc(N)cc1C ZINC000044748305 169061402 /nfs/dbraw/zinc/06/14/02/169061402.db2.gz KBQQDJKMZBVBOJ-UHFFFAOYSA-N 0 0 206.289 2.059 10 0 BEAERN O[C@@H]1CCCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000052006966 183189689 /nfs/dbraw/zinc/18/96/89/183189689.db2.gz JRJWRJABFIKMNP-NWDGAFQWSA-N 0 0 231.299 2.278 10 0 BEAERN O[C@@H]1CCC[C@@H]1Nc1ccnc(Cl)c1 ZINC000277021159 183195574 /nfs/dbraw/zinc/19/55/74/183195574.db2.gz CMUHPWVGKHZPAL-DTWKUNHWSA-N 0 0 212.680 2.060 10 0 BEAERN CCCN(CC(=O)OC)C[C@@H]1Cc2ccccc21 ZINC000090981408 169100660 /nfs/dbraw/zinc/10/06/60/169100660.db2.gz MMSJCFPWVKTKCZ-ZDUSSCGKSA-N 0 0 247.338 2.211 10 0 BEAERN O[C@H](Cc1ccccc1)Cn1cc[nH]c1=S ZINC000026495776 183227056 /nfs/dbraw/zinc/22/70/56/183227056.db2.gz VKZBVGIWEVXVDB-LLVKDONJSA-N 0 0 234.324 2.149 10 0 BEAERN O[C@H](Cn1ccnc1)c1ccc(Cl)s1 ZINC000041250454 183228555 /nfs/dbraw/zinc/22/85/55/183228555.db2.gz NJNALFLADACWBW-SSDOTTSWSA-N 0 0 228.704 2.332 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1F ZINC000061095550 183238029 /nfs/dbraw/zinc/23/80/29/183238029.db2.gz ZNEAUVXMGUHAAP-SCZZXKLOSA-N 0 0 231.217 2.429 10 0 BEAERN O[C@H]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000090614810 183242637 /nfs/dbraw/zinc/24/26/37/183242637.db2.gz BWDCTHGTAICVPP-IUCAKERBSA-N 0 0 203.241 2.456 10 0 BEAERN O[C@H]1COC[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000037877620 183246676 /nfs/dbraw/zinc/24/66/76/183246676.db2.gz FYGCLTJCLXZLBH-ZJUUUORDSA-N 0 0 248.109 2.165 10 0 BEAERN O[C@H]1C[C@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415212 183248391 /nfs/dbraw/zinc/24/83/91/183248391.db2.gz LTCOYNNCHWPNEU-RNCFNFMXSA-N 0 0 232.258 2.312 10 0 BEAERN O[C@H]1CCC[C@H]1Nc1ccc(Cl)cn1 ZINC000277123107 183237785 /nfs/dbraw/zinc/23/77/85/183237785.db2.gz OPXZQERQIRCGBT-BDAKNGLRSA-N 0 0 212.680 2.060 10 0 BEAERN Oc1ccc(-n2cnc3c2ncnc3Cl)cc1 ZINC000001704411 183266570 /nfs/dbraw/zinc/26/65/70/183266570.db2.gz DRFFHRSYCFYMPY-UHFFFAOYSA-N 0 0 246.657 2.175 10 0 BEAERN Oc1ccc(F)c(Br)c1F ZINC000075926769 183273465 /nfs/dbraw/zinc/27/34/65/183273465.db2.gz JZVLGZXIWUIHRU-UHFFFAOYSA-N 0 0 208.989 2.433 10 0 BEAERN Oc1ccc(NCc2cscn2)cc1 ZINC000040505005 183276065 /nfs/dbraw/zinc/27/60/65/183276065.db2.gz JCHCMGIRZDFXGB-UHFFFAOYSA-N 0 0 206.270 2.461 10 0 BEAERN Oc1ccc(NCc2ccncc2)cc1 ZINC000037131864 183276245 /nfs/dbraw/zinc/27/62/45/183276245.db2.gz SCLHBGCXKHPRNU-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN CCCN(CC1CC1)C(=O)c1c(C)n[nH]c1C ZINC000036200489 169136888 /nfs/dbraw/zinc/13/68/88/169136888.db2.gz ZMKCAEGRPXNWQV-UHFFFAOYSA-N 0 0 235.331 2.289 10 0 BEAERN Oc1ccc(NCc2cccnc2)cc1 ZINC000032086112 183276654 /nfs/dbraw/zinc/27/66/54/183276654.db2.gz NLPCVURSTXVCNN-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN Oc1cc(Br)cc2c1NCC2 ZINC000082371276 183257459 /nfs/dbraw/zinc/25/74/59/183257459.db2.gz MUFUFGHFTXCSDW-UHFFFAOYSA-N 0 0 214.062 2.123 10 0 BEAERN Oc1cc(F)cc(-c2ncccc2O)c1 ZINC000065337830 183258734 /nfs/dbraw/zinc/25/87/34/183258734.db2.gz PVMDXSYHZPNRFM-UHFFFAOYSA-N 0 0 205.188 2.299 10 0 BEAERN Oc1cccc(-c2noc([C@@H]3CCCOC3)n2)c1 ZINC000062238333 183287854 /nfs/dbraw/zinc/28/78/54/183287854.db2.gz RALLJXVBLXDZBJ-SNVBAGLBSA-N 0 0 246.266 2.336 10 0 BEAERN Oc1cccc(NCc2cccnc2)c1 ZINC000020193205 183293115 /nfs/dbraw/zinc/29/31/15/183293115.db2.gz WEFFVBIEUBVPKI-UHFFFAOYSA-N 0 0 200.241 2.399 10 0 BEAERN CCCN(CCn1cccn1)c1ccccc1N ZINC000063113543 169171130 /nfs/dbraw/zinc/17/11/30/169171130.db2.gz OTXXJRQMVYLGGK-UHFFFAOYSA-N 0 0 244.342 2.382 10 0 BEAERN S=C1Oc2ccccc2[C@@H]2SCCN12 ZINC000033876042 183313932 /nfs/dbraw/zinc/31/39/32/183313932.db2.gz APTIBMIGRPMQLW-VIFPVBQESA-N 0 0 223.322 2.411 10 0 BEAERN S=c1[nH]ncc2cnc(-c3ccccc3)n21 ZINC000029414976 183316645 /nfs/dbraw/zinc/31/66/45/183316645.db2.gz QCIHIQNTTLSRAG-UHFFFAOYSA-N 0 0 228.280 2.080 10 0 BEAERN c1c[nH]c(CNc2ccc(-c3nnco3)cc2)n1 ZINC000049714747 183324938 /nfs/dbraw/zinc/32/49/38/183324938.db2.gz AUGYFVWBBKAFPB-UHFFFAOYSA-N 0 0 241.254 2.072 10 0 BEAERN c1c[nH]c(CNc2ccc3c(c2)OCO3)c1 ZINC000051788025 183325779 /nfs/dbraw/zinc/32/57/79/183325779.db2.gz GYDKFCLOBCMITL-UHFFFAOYSA-N 0 0 216.240 2.356 10 0 BEAERN c1c[nH]c(CNc2ccc(-c3c[nH]cn3)cc2)n1 ZINC000049715202 183325965 /nfs/dbraw/zinc/32/59/65/183325965.db2.gz FVQYRELYAALQSD-UHFFFAOYSA-N 0 0 239.282 2.412 10 0 BEAERN O=c1[nH]c(-c2cccs2)nc2ncccc12 ZINC000253565749 183307618 /nfs/dbraw/zinc/30/76/18/183307618.db2.gz ICLSMBQQQXQKDB-UHFFFAOYSA-N 0 0 229.264 2.459 10 0 BEAERN O=c1nc(-c2cnc3ccccn32)c(Cl)c[nH]1 ZINC000089200976 183309633 /nfs/dbraw/zinc/30/96/33/183309633.db2.gz SWQBVYZKGXUHSF-UHFFFAOYSA-N 0 0 246.657 2.150 10 0 BEAERN CCCNC(=O)CNc1cc(F)cc(F)c1F ZINC000061095398 169230181 /nfs/dbraw/zinc/23/01/81/169230181.db2.gz AUBLIZCUWHNBIO-UHFFFAOYSA-N 0 0 246.232 2.042 10 0 BEAERN CCCNC(=O)n1cnc2ccccc21 ZINC000026189418 169254387 /nfs/dbraw/zinc/25/43/87/169254387.db2.gz LAVHXRURLOECFB-UHFFFAOYSA-N 0 0 203.245 2.004 10 0 BEAERN c1cc(N[C@@H]2CCCSC2)cc2nn[nH]c12 ZINC000134822884 183365449 /nfs/dbraw/zinc/36/54/49/183365449.db2.gz SASYWLVGIYPVPN-SECBINFHSA-N 0 0 234.328 2.265 10 0 BEAERN c1cn(Cc2ccc3ccncc3c2)cn1 ZINC000013808228 183375616 /nfs/dbraw/zinc/37/56/16/183375616.db2.gz SIZZGSWTNCSETD-UHFFFAOYSA-N 0 0 209.252 2.480 10 0 in-vivo BEAERN CCCNC(=O)N[C@H](C)c1ccccc1N ZINC000037178993 169239067 /nfs/dbraw/zinc/23/90/67/169239067.db2.gz MUUNKQMWGHJOMD-SECBINFHSA-N 0 0 221.304 2.039 10 0 BEAERN CCCNC(=O)N[C@H](C)c1cccc(N)c1 ZINC000037178904 169239253 /nfs/dbraw/zinc/23/92/53/169239253.db2.gz DGMBSXNGJAKULD-SECBINFHSA-N 0 0 221.304 2.039 10 0 BEAERN CCCNC(=O)N[C@H](CC)c1nccs1 ZINC000121960620 169239504 /nfs/dbraw/zinc/23/95/04/169239504.db2.gz ZNKKVZLXLJFWBB-MRVPVSSYSA-N 0 0 227.333 2.303 10 0 BEAERN CCCNC(=O)c1c(N)sc(C)c1CC ZINC000105265563 169249845 /nfs/dbraw/zinc/24/98/45/169249845.db2.gz UNHXGYNXUCZPSW-UHFFFAOYSA-N 0 0 226.345 2.341 10 0 BEAERN CCC[NH2+][C@@](C)(CCCOC1CCC1)C(=O)[O-] ZINC000050521637 169284508 /nfs/dbraw/zinc/28/45/08/169284508.db2.gz OXWNQGCKUZIPAB-ZDUSSCGKSA-N 0 0 243.347 2.179 10 0 BEAERN CCCN[C@@H](C(N)=O)c1c(F)cccc1Cl ZINC000037870235 169274042 /nfs/dbraw/zinc/27/40/42/169274042.db2.gz QOTZESSERGDBCZ-SNVBAGLBSA-N 0 0 244.697 2.005 10 0 BEAERN CCCOCC(=O)N1CCC12CCCCC2 ZINC000373007400 169302527 /nfs/dbraw/zinc/30/25/27/169302527.db2.gz JWXFIWGLFABQDQ-UHFFFAOYSA-N 0 0 225.332 2.348 10 0 BEAERN CCCOCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116040269 169303375 /nfs/dbraw/zinc/30/33/75/169303375.db2.gz SQBNUESZQBGJDQ-LLVKDONJSA-N 0 0 237.299 2.370 10 0 BEAERN CCCOCC(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000371177105 169304434 /nfs/dbraw/zinc/30/44/34/169304434.db2.gz RKZIOSPZZTVLOE-NEPJUHHUSA-N 0 0 225.332 2.204 10 0 BEAERN CCCO[C@@H](C)C(=O)Nc1cccc(N)c1C ZINC000037024579 169311094 /nfs/dbraw/zinc/31/10/94/169311094.db2.gz XKQDNQWVJBBRRX-JTQLQIEISA-N 0 0 236.315 2.331 10 0 BEAERN CCCNc1ccc(-c2ccc(O)cc2O)nn1 ZINC000054931222 169294216 /nfs/dbraw/zinc/29/42/16/169294216.db2.gz RNJFNEGZKSZDMZ-UHFFFAOYSA-N 0 0 245.282 2.377 10 0 BEAERN CCCNc1cccc(C(=O)Nc2cnoc2)n1 ZINC000061685990 169294846 /nfs/dbraw/zinc/29/48/46/169294846.db2.gz RUYWOOYIMNTVED-UHFFFAOYSA-N 0 0 246.270 2.144 10 0 BEAERN CCCNc1cccc(C(=O)N[C@@H]2CC2(C)C)n1 ZINC000051071491 169295187 /nfs/dbraw/zinc/29/51/87/169295187.db2.gz WIZMVTHOPMAVJP-LLVKDONJSA-N 0 0 247.342 2.432 10 0 BEAERN CCCNc1ccnc(C(=O)N(C)CCC)c1 ZINC000050748500 169296086 /nfs/dbraw/zinc/29/60/86/169296086.db2.gz IKIMGODQUIHLRW-UHFFFAOYSA-N 0 0 235.331 2.386 10 0 BEAERN CCCNc1ncnc(Nc2cccnc2)c1N ZINC000040707725 169296353 /nfs/dbraw/zinc/29/63/53/169296353.db2.gz SYRADGTWJQQCNI-UHFFFAOYSA-N 0 0 244.302 2.019 10 0 BEAERN CCCNc1ncnc2c1cnn2CC(C)C ZINC000062366929 169296810 /nfs/dbraw/zinc/29/68/10/169296810.db2.gz LXTPFTAKJDJZES-UHFFFAOYSA-N 0 0 233.319 2.304 10 0 BEAERN c1ccc(N2CC[C@H](Nc3cnccn3)C2)cc1 ZINC000106473708 183414012 /nfs/dbraw/zinc/41/40/12/183414012.db2.gz NETISVGREAYDRO-LBPRGKRZSA-N 0 0 240.310 2.167 10 0 BEAERN CCCSc1nc(=O)c2sccc2[nH]1 ZINC000057351937 169342030 /nfs/dbraw/zinc/34/20/30/169342030.db2.gz DCLYIKYSHLSCEE-UHFFFAOYSA-N 0 0 226.326 2.487 10 0 BEAERN c1ccc2nc(N[C@@H]3CCCOC3)cnc2c1 ZINC000109548076 183458193 /nfs/dbraw/zinc/45/81/93/183458193.db2.gz DDQZTMKUMBETAU-SNVBAGLBSA-N 0 0 229.283 2.221 10 0 BEAERN CCCOc1ccc(NC[C@H](C)C(N)=O)cc1 ZINC000051785897 169319899 /nfs/dbraw/zinc/31/98/99/169319899.db2.gz VLWDPEHBYHPTSC-JTQLQIEISA-N 0 0 236.315 2.009 10 0 BEAERN CCCOc1ccc(OCC(N)=S)cc1 ZINC000026515116 169320991 /nfs/dbraw/zinc/32/09/91/169320991.db2.gz XTKPMIOUEDOWFU-UHFFFAOYSA-N 0 0 225.313 2.140 10 0 BEAERN CCCOc1ccc([C@@](C)([NH3+])CC(=O)[O-])cc1 ZINC000071547811 169321466 /nfs/dbraw/zinc/32/14/66/169321466.db2.gz IWSBTRNQSBCUID-ZDUSSCGKSA-N 0 0 237.299 2.124 10 0 BEAERN CCCOc1nc(Cl)nc(OCCC)n1 ZINC000061520494 169328141 /nfs/dbraw/zinc/32/81/41/169328141.db2.gz XUPBSOXSFSWYIV-UHFFFAOYSA-N 0 0 231.683 2.103 10 0 BEAERN CCC[C@@H](C)NC(=O)c1ccc(N)c(F)c1 ZINC000054405251 169368136 /nfs/dbraw/zinc/36/81/36/169368136.db2.gz UEAVONCPUIGHSC-MRVPVSSYSA-N 0 0 224.279 2.326 10 0 BEAERN CCC[C@@H](C)NC(=O)[C@@H]1CNc2ccccc2O1 ZINC000019424446 169368225 /nfs/dbraw/zinc/36/82/25/169368225.db2.gz DGEHTLYWYLCFAR-MFKMUULPSA-N 0 0 248.326 2.164 10 0 BEAERN CCC[C@@H](C)NC(=O)c1cccc(N)c1C ZINC000019278442 169369162 /nfs/dbraw/zinc/36/91/62/169369162.db2.gz YIDRHGCDFDRIPN-SECBINFHSA-N 0 0 220.316 2.496 10 0 BEAERN CCC[C@@H](C)N(C)C(=O)c1cc(N)cnc1C ZINC000038095183 169364012 /nfs/dbraw/zinc/36/40/12/169364012.db2.gz LISYKZSMSVZAJM-SECBINFHSA-N 0 0 235.331 2.233 10 0 BEAERN c1csc(CCNc2cccnn2)c1 ZINC000052815931 183503932 /nfs/dbraw/zinc/50/39/32/183503932.db2.gz DALHIIQDXYUACL-UHFFFAOYSA-N 0 0 205.286 2.193 10 0 BEAERN CCC[C@@H](COC)c1c(N)n[nH]c1CC ZINC000039101523 169386123 /nfs/dbraw/zinc/38/61/23/169386123.db2.gz FDSRTRVGUDZSLX-QMMMGPOBSA-N 0 0 211.309 2.084 10 0 BEAERN CCC[C@@H](O)CNC(=O)CCc1ccc(C)cc1 ZINC000126317611 169405630 /nfs/dbraw/zinc/40/56/30/169405630.db2.gz GHFDKZDOOAOZLB-CQSZACIVSA-N 0 0 249.354 2.205 10 0 BEAERN CC(C)(C)OC(=O)COc1ccccc1 ZINC000038235657 166640722 /nfs/dbraw/zinc/64/07/22/166640722.db2.gz SQODLBZBNXPSKQ-UHFFFAOYSA-N 0 0 208.257 2.407 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)SC ZINC000308233708 169431328 /nfs/dbraw/zinc/43/13/28/169431328.db2.gz PYQXEBIBBKMQHE-HLTSFMKQSA-N 0 0 201.335 2.043 10 0 BEAERN CCC[C@@H]1C[C@@](C)(OC(C)=O)CCO1 ZINC000039090697 169434851 /nfs/dbraw/zinc/43/48/51/169434851.db2.gz GURYYNWDVKXZAT-MNOVXSKESA-N 0 0 200.278 2.287 10 0 endogenous,in-man BEAERN CCC[C@H](C)N(C)c1ccc(N)c2nonc21 ZINC000036790141 169490678 /nfs/dbraw/zinc/49/06/78/169490678.db2.gz GWCYKMNGOSPTTR-QMMMGPOBSA-N 0 0 234.303 2.430 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nccn(CC(C)C)c1=O ZINC000091729584 169539325 /nfs/dbraw/zinc/53/93/25/169539325.db2.gz CWQPDBJOGXWYRO-NWDGAFQWSA-N 0 0 249.358 2.500 10 0 BEAERN CCC[C@](C)(Br)C(=O)OC ZINC000095883849 169541839 /nfs/dbraw/zinc/54/18/39/169541839.db2.gz PVXRNWXASGBLCN-ZETCQYMHSA-N 0 0 209.083 2.113 10 0 BEAERN CCCc1ccc([C@H](C[NH+](C)C)C(=O)[O-])cc1 ZINC000041266427 169575642 /nfs/dbraw/zinc/57/56/42/169575642.db2.gz HCWIMPJBFAGIMI-ZDUSSCGKSA-N 0 0 235.327 2.369 10 0 BEAERN CCCc1[nH]nc2c1ncnc2SC ZINC000089211984 169582325 /nfs/dbraw/zinc/58/23/25/169582325.db2.gz ADOVZTFWUVUQOG-UHFFFAOYSA-N 0 0 208.290 2.027 10 0 BEAERN CC(C)CNC(=O)N[C@@H]1COc2ccccc21 ZINC000194602728 259623136 /nfs/dbraw/zinc/62/31/36/259623136.db2.gz APFUNYWBZYHLAP-LLVKDONJSA-N 0 0 234.299 2.075 10 0 BEAERN CCCc1nnc(NCC(C)(C)CCO)s1 ZINC000301643241 169598025 /nfs/dbraw/zinc/59/80/25/169598025.db2.gz CAJIDWOXOZIQKY-UHFFFAOYSA-N 0 0 243.376 2.311 10 0 BEAERN CCCc1noc([C@@H](C)CSC)n1 ZINC000308402701 169604660 /nfs/dbraw/zinc/60/46/60/169604660.db2.gz HVLASWSAZNKDBQ-ZETCQYMHSA-N 0 0 200.307 2.489 10 0 BEAERN CCCn1c2ccccc2c2c(ncn2C)c1=O ZINC000027320991 169611136 /nfs/dbraw/zinc/61/11/36/169611136.db2.gz OKJLBBFBIFZBFL-UHFFFAOYSA-N 0 0 241.294 2.298 10 0 BEAERN CCCn1nccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329472538 169625689 /nfs/dbraw/zinc/62/56/89/169625689.db2.gz ZMOZWTDZDKUNEY-WDEREUQCSA-N 0 0 248.330 2.309 10 0 BEAERN CCN(C(=O)c1c(C)n[nH]c1C)C1CCCC1 ZINC000036166365 169655287 /nfs/dbraw/zinc/65/52/87/169655287.db2.gz CDWPBUGLHCERNC-UHFFFAOYSA-N 0 0 235.331 2.431 10 0 BEAERN CCN(C(=O)c1cc(F)ccc1N)C(C)C ZINC000037082327 169656403 /nfs/dbraw/zinc/65/64/03/169656403.db2.gz DKOSNJBNDRYQIL-UHFFFAOYSA-N 0 0 224.279 2.278 10 0 BEAERN N#Cc1c([N+](=O)[O-])cc(C=O)cc1C(F)(F)F ZINC000575647719 383827213 /nfs/dbraw/zinc/82/72/13/383827213.db2.gz HJEHVAFFIHDKHJ-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN CCC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000301003909 383826166 /nfs/dbraw/zinc/82/61/66/383826166.db2.gz WHOQPQUZYHOXMD-BDAKNGLRSA-N 0 0 235.274 2.265 10 0 BEAERN COC(=O)c1c(=O)[nH]c2ccsc2c1Cl ZINC000000159903 383836868 /nfs/dbraw/zinc/83/68/68/383836868.db2.gz XVYYSAMYSDVPNQ-UHFFFAOYSA-N 0 0 243.671 2.030 10 0 BEAERN Cc1ccncc1N[C@H]1CCO[C@@H](C)C1 ZINC000069891317 383850864 /nfs/dbraw/zinc/85/08/64/383850864.db2.gz HPJVWBYQYATATQ-QWRGUYRKSA-N 0 0 206.289 2.369 10 0 BEAERN CCc1c([N+](=O)[O-])ccc(C#N)c1OC ZINC000575645122 383871409 /nfs/dbraw/zinc/87/14/09/383871409.db2.gz CUTUGRWLVOIZMI-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN COC(=O)c1cc(-c2sc(C)nc2C)ncn1 ZINC000575622566 383876271 /nfs/dbraw/zinc/87/62/71/383876271.db2.gz NNMJMAMBVNFVKD-UHFFFAOYSA-N 0 0 249.295 2.004 10 0 BEAERN Nc1cc(Cc2cccs2)nc(C2CC2)n1 ZINC000575622533 383878361 /nfs/dbraw/zinc/87/83/61/383878361.db2.gz WGHKYSRGVSVENE-UHFFFAOYSA-N 0 0 231.324 2.419 10 0 BEAERN CCc1cc(N[C@H]2CCCC[C@H]2O)nc(C)n1 ZINC000088058511 383878810 /nfs/dbraw/zinc/87/88/10/383878810.db2.gz MHKNUMLWLHVMRU-NWDGAFQWSA-N 0 0 235.331 2.063 10 0 BEAERN COc1cc(C=O)c2ccc(F)c(F)c2n1 ZINC000067172058 383912967 /nfs/dbraw/zinc/91/29/67/383912967.db2.gz AVYNCMGIUSPNEN-UHFFFAOYSA-N 0 0 223.178 2.334 10 0 BEAERN Cc1csc(CN2[C@H](C)COC[C@@H]2C)n1 ZINC000088601506 383916494 /nfs/dbraw/zinc/91/64/94/383916494.db2.gz WVZCOCDEICJDJH-AOOOYVTPSA-N 0 0 226.345 2.061 10 0 BEAERN CN(CC(F)(F)F)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000336436774 383886205 /nfs/dbraw/zinc/88/62/05/383886205.db2.gz FINNFHCIVYFZMX-HTQZYQBOSA-N 0 0 236.237 2.085 10 0 BEAERN CCc1ccc(Nc2nccc(=O)[nH]2)cc1 ZINC000001280899 383894232 /nfs/dbraw/zinc/89/42/32/383894232.db2.gz JXONDCIHZSAOSU-UHFFFAOYSA-N 0 0 215.256 2.076 10 0 BEAERN Cc1nc(N)ncc1CCCNc1ccccc1 ZINC000001746723 383934283 /nfs/dbraw/zinc/93/42/83/383934283.db2.gz XPORBURTPZZYGL-UHFFFAOYSA-N 0 0 242.326 2.412 10 0 BEAERN Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000089164957 383939350 /nfs/dbraw/zinc/93/93/50/383939350.db2.gz OELAEDGFNVDRIH-AAEUAGOBSA-N 0 0 248.326 2.278 10 0 BEAERN COC(=O)c1n[nH]c2cccc(C(F)(F)F)c21 ZINC000089195778 383940369 /nfs/dbraw/zinc/94/03/69/383940369.db2.gz IQEJOURLXRKJDA-UHFFFAOYSA-N 0 0 244.172 2.368 10 0 BEAERN COC(=O)c1cc(C(F)(F)F)cc2n[nH]cc21 ZINC000089196330 383941361 /nfs/dbraw/zinc/94/13/61/383941361.db2.gz LJHXJPMPBIVZRU-UHFFFAOYSA-N 0 0 244.172 2.368 10 0 BEAERN CCCCCC(=O)Nc1c[nH]cc2ncnc1-2 ZINC000089203359 383947695 /nfs/dbraw/zinc/94/76/95/383947695.db2.gz JKLGZOLMIUHHDX-UHFFFAOYSA-N 0 0 232.287 2.477 10 0 BEAERN COC(=O)c1cc2[nH]ccc2c(Cl)n1 ZINC000089220788 383949272 /nfs/dbraw/zinc/94/92/72/383949272.db2.gz FWVGFHICGCRVDI-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN Cc1cc(C(F)(F)F)c(CO)cc1C#N ZINC000575649372 383965484 /nfs/dbraw/zinc/96/54/84/383965484.db2.gz RHCWMQPFFRRQQB-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN COc1cc(C=O)c(C(F)(F)F)cc1C#N ZINC000575649911 384007551 /nfs/dbraw/zinc/00/75/51/384007551.db2.gz UBOORMQYYSEWOC-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN Nc1cccc(Cl)c1NC(=O)C1CC1 ZINC000050352350 384008212 /nfs/dbraw/zinc/00/82/12/384008212.db2.gz GAFMDXIYGZJLRL-UHFFFAOYSA-N 0 0 210.664 2.271 10 0 BEAERN Nc1cc(Cl)ccc1Cn1cccn1 ZINC000050443291 384043212 /nfs/dbraw/zinc/04/32/12/384043212.db2.gz IAUJMJSRAHUUIX-UHFFFAOYSA-N 0 0 207.664 2.167 10 0 BEAERN O=C1C[C@@H](c2ccccc2F)SCCN1 ZINC000090397223 384044755 /nfs/dbraw/zinc/04/47/55/384044755.db2.gz JNNPWXFIQQXEOK-JTQLQIEISA-N 0 0 225.288 2.120 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@H](C)C[C@H]2C)n1 ZINC000336509659 384031735 /nfs/dbraw/zinc/03/17/35/384031735.db2.gz BRRMHDHHUQWBHW-HTQZYQBOSA-N 0 0 223.295 2.467 10 0 BEAERN Cc1n[nH]cc1CNC(=O)OCc1ccccc1 ZINC000038011351 384053832 /nfs/dbraw/zinc/05/38/32/384053832.db2.gz FFSKSIRAXGGIGW-UHFFFAOYSA-N 0 0 245.282 2.145 10 0 BEAERN Cc1ccc(OCCN(C)Cc2cc[nH]n2)cc1 ZINC000114461023 384037592 /nfs/dbraw/zinc/03/75/92/384037592.db2.gz IPRMYSMVENTOSE-UHFFFAOYSA-N 0 0 245.326 2.229 10 0 BEAERN COC(=O)c1cc2cc(C3OCCO3)ccc2o1 ZINC000090513304 384057916 /nfs/dbraw/zinc/05/79/16/384057916.db2.gz NLBPCSGRMFOKIN-UHFFFAOYSA-N 0 0 248.234 2.265 10 0 BEAERN CCOCCNC(=O)C(C)(C)c1cccs1 ZINC000115336718 384078928 /nfs/dbraw/zinc/07/89/28/384078928.db2.gz FXWPMYPWMABILW-UHFFFAOYSA-N 0 0 241.356 2.178 10 0 BEAERN COC(=O)c1cc(-c2ccccc2)oc1N ZINC000072416664 384117687 /nfs/dbraw/zinc/11/76/87/384117687.db2.gz VJYASNKJGPSROL-UHFFFAOYSA-N 0 0 217.224 2.315 10 0 BEAERN Cc1[nH]nc2c1[C@@H](O)C[C@@H](c1ccccc1O)C2 ZINC000072415256 384098038 /nfs/dbraw/zinc/09/80/38/384098038.db2.gz SNRANHLTJDUOAN-ZANVPECISA-N 0 0 244.294 2.187 10 0 BEAERN COC(=O)c1cc2c(cccc2N)s1 ZINC000039086999 384100196 /nfs/dbraw/zinc/10/01/96/384100196.db2.gz VMRRNVCNYGTJPW-UHFFFAOYSA-N 0 0 207.254 2.270 10 0 BEAERN CO[C@H](c1ccc(O)c(C=O)c1O)C(C)C ZINC000039098777 384102533 /nfs/dbraw/zinc/10/25/33/384102533.db2.gz FIGNQCZGUIWKCN-LBPRGKRZSA-N 0 0 224.256 2.254 10 0 BEAERN CC1(C)c2ccccc2N2C(=O)CC[C@@H]21 ZINC000039105021 384102744 /nfs/dbraw/zinc/10/27/44/384102744.db2.gz YBJLRGLKQWXVSB-LLVKDONJSA-N 0 0 201.269 2.473 10 0 BEAERN Cc1ccc([C@@H]2CCCC[C@H]2NN)cc1 ZINC000039105296 384103179 /nfs/dbraw/zinc/10/31/79/384103179.db2.gz VODLXSPDSHACNX-QWHCGFSZSA-N 0 0 204.317 2.485 10 0 BEAERN NC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000106789777 384107019 /nfs/dbraw/zinc/10/70/19/384107019.db2.gz BFBIJXNLSPNMNR-UHFFFAOYSA-N 0 0 220.059 2.066 10 0 BEAERN COC(=O)c1c(C(C)=O)cnc2ccccc21 ZINC000039437806 384113735 /nfs/dbraw/zinc/11/37/35/384113735.db2.gz QTRJONUMWZCSMU-UHFFFAOYSA-N 0 0 229.235 2.224 10 0 BEAERN COc1cc(OC(F)F)cc(O)c1OC ZINC000575652963 384117589 /nfs/dbraw/zinc/11/75/89/384117589.db2.gz OUXPOJHHWTWWDF-UHFFFAOYSA-N 0 0 220.171 2.011 10 0 BEAERN CCCCCn1c(C)cc2n[nH]cc2c1=O ZINC000072416716 384119164 /nfs/dbraw/zinc/11/91/64/384119164.db2.gz KOLMAPNRHNTYSF-UHFFFAOYSA-N 0 0 219.288 2.223 10 0 BEAERN c1cc(CNCc2ccccc2)ns1 ZINC000091352105 384120801 /nfs/dbraw/zinc/12/08/01/384120801.db2.gz MJCOIOOLBAVXKH-UHFFFAOYSA-N 0 0 204.298 2.433 10 0 BEAERN CCCC1(C(=O)OCC)CCC(=O)CC1 ZINC000091351834 384121098 /nfs/dbraw/zinc/12/10/98/384121098.db2.gz VGMKBSRJJAHAEP-UHFFFAOYSA-N 0 0 212.289 2.479 10 0 BEAERN Nc1ccc2[nH]nc(-c3ccc(F)cn3)c2c1 ZINC000091364469 384123228 /nfs/dbraw/zinc/12/32/28/384123228.db2.gz UDVGIPDNKCUZEQ-UHFFFAOYSA-N 0 0 228.230 2.346 10 0 BEAERN O=Cc1cncc(-c2ccc(Cl)nn2)c1 ZINC000091366265 384123677 /nfs/dbraw/zinc/12/36/77/384123677.db2.gz BVKDYRSWWUQQHQ-UHFFFAOYSA-N 0 0 219.631 2.005 10 0 BEAERN CCc1c(F)cc(OC(F)F)cc1CO ZINC000575653743 384148440 /nfs/dbraw/zinc/14/84/40/384148440.db2.gz MVAXRLITKCDDPN-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000091826802 384148746 /nfs/dbraw/zinc/14/87/46/384148746.db2.gz MGAFVMDDYJBAAY-MRVPVSSYSA-N 0 0 247.298 2.092 10 0 BEAERN c1ncc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000091978776 384157663 /nfs/dbraw/zinc/15/76/63/384157663.db2.gz AYVFNYFEQBZZET-NWDGAFQWSA-N 0 0 238.356 2.287 10 0 BEAERN CC(C)=CC(=O)N1CCC(=O)Nc2ccccc21 ZINC000118655729 384205522 /nfs/dbraw/zinc/20/55/22/384205522.db2.gz CCYNNAMJDXHIOO-UHFFFAOYSA-N 0 0 244.294 2.328 10 0 BEAERN CCOc1ccc(C#N)c(OCC)c1O ZINC000575645939 384186856 /nfs/dbraw/zinc/18/68/56/384186856.db2.gz AVNALXQNWCKUPT-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN Cc1c(C#N)cc(CO)cc1C(F)(F)F ZINC000575645922 384189795 /nfs/dbraw/zinc/18/97/95/384189795.db2.gz GOTDKIQQROWKGM-UHFFFAOYSA-N 0 0 215.174 2.378 10 0 BEAERN O=C1NCc2cc(Br)ccc2O1 ZINC000072338658 384207570 /nfs/dbraw/zinc/20/75/70/384207570.db2.gz GUBFXJAFQXKEIT-UHFFFAOYSA-N 0 0 228.045 2.051 10 0 BEAERN CCOc1cc(NC(C)=O)ccc1NC(C)=O ZINC000071973845 384190858 /nfs/dbraw/zinc/19/08/58/384190858.db2.gz PMPUXFDYLPFCDA-UHFFFAOYSA-N 0 0 236.271 2.002 10 0 BEAERN COc1cc(C)sc1C(=O)N[C@H]1C[C@H]1C ZINC000072788278 384233912 /nfs/dbraw/zinc/23/39/12/384233912.db2.gz SQXWMNRUCWSQMC-SVRRBLITSA-N 0 0 225.313 2.203 10 0 BEAERN CN(C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000042371280 384213639 /nfs/dbraw/zinc/21/36/39/384213639.db2.gz FIQVTCNKDLDQHB-SNVBAGLBSA-N 0 0 237.274 2.077 10 0 BEAERN COCc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1 ZINC000093606931 384250667 /nfs/dbraw/zinc/25/06/67/384250667.db2.gz ZQWUKMQESBZDNS-BETUJISGSA-N 0 0 249.354 2.442 10 0 BEAERN Cc1c(CNc2ccc(N(C)C)cc2)cnn1C ZINC000093649412 384257820 /nfs/dbraw/zinc/25/78/20/384257820.db2.gz FSLPCZXZUOKGJB-UHFFFAOYSA-N 0 0 244.342 2.407 10 0 BEAERN CO[C@H](C)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000115276902 384258187 /nfs/dbraw/zinc/25/81/87/384258187.db2.gz JAPXHOLVJDDVBY-QJPTWQEYSA-N 0 0 227.348 2.354 10 0 BEAERN CCOc1ncccc1NCc1cnn(C)c1C ZINC000093649647 384258538 /nfs/dbraw/zinc/25/85/38/384258538.db2.gz KOHBWSBMISHZLE-UHFFFAOYSA-N 0 0 246.314 2.134 10 0 BEAERN C[C@H](NC(=O)[C@@H](C)c1ccccc1)[C@@H]1CCCO1 ZINC000119326625 384260550 /nfs/dbraw/zinc/26/05/50/384260550.db2.gz UIKBYENWINJJOH-OBJOEFQTSA-N 0 0 247.338 2.474 10 0 BEAERN Nc1ccc2[nH]nc(-c3cncs3)c2c1 ZINC000074113575 384273195 /nfs/dbraw/zinc/27/31/95/384273195.db2.gz DVZRGNOPSVAMNI-UHFFFAOYSA-N 0 0 216.269 2.269 10 0 BEAERN OC[C@@H]1COc2cc(C(F)(F)F)ccc2C1 ZINC000097757615 384276849 /nfs/dbraw/zinc/27/68/49/384276849.db2.gz VIRPRDCKRGJJQE-SSDOTTSWSA-N 0 0 232.201 2.249 10 0 BEAERN O=C1CCOC[C@H]1Cc1cccc(Cl)c1 ZINC000075152373 384320025 /nfs/dbraw/zinc/32/00/25/384320025.db2.gz IDVRABNXDSCEMZ-SNVBAGLBSA-N 0 0 224.687 2.488 10 0 BEAERN Cc1nc(N)cc2c1ccc(=O)n2C1CCCC1 ZINC000097758532 384282396 /nfs/dbraw/zinc/28/23/96/384282396.db2.gz LQJMZKHCJOMIRR-UHFFFAOYSA-N 0 0 243.310 2.402 10 0 BEAERN COC(=O)C1=C(O)CC[C@@H](c2ccccc2)C1 ZINC000093954913 384282494 /nfs/dbraw/zinc/28/24/94/384282494.db2.gz QISHTJPQSJDTSQ-NEPJUHHUSA-N 0 0 232.279 2.312 10 0 BEAERN Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C)ccc1F ZINC000134251185 384342274 /nfs/dbraw/zinc/34/22/74/384342274.db2.gz GGFGTKVIXBIKCU-BXKDBHETSA-N 0 0 237.274 2.041 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@@H]2CCO[C@@H]2C)c1 ZINC000134251542 384342673 /nfs/dbraw/zinc/34/26/73/384342673.db2.gz YDYYIHSVNBCQDD-BXKDBHETSA-N 0 0 237.274 2.041 10 0 BEAERN C[C@@H]1OCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000134268655 384342991 /nfs/dbraw/zinc/34/29/91/384342991.db2.gz UNYHHRDKHQIESE-JOYOIKCWSA-N 0 0 244.294 2.075 10 0 BEAERN Cc1ccc(F)c(C(=O)N[C@H]2CCO[C@H]2C)c1 ZINC000134251608 384343694 /nfs/dbraw/zinc/34/36/94/384343694.db2.gz YDYYIHSVNBCQDD-CABZTGNLSA-N 0 0 237.274 2.041 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1cc(OCC)ncn1 ZINC000228854378 384348360 /nfs/dbraw/zinc/34/83/60/384348360.db2.gz STWUSEJYQXKPKK-UWVGGRQHSA-N 0 0 221.304 2.476 10 0 BEAERN CCOc1cc(CO)c(OC)c(OC(F)F)c1 ZINC000575655794 384354530 /nfs/dbraw/zinc/35/45/30/384354530.db2.gz BINKDQWFCHMFLN-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1c(C)cc(CO)cc1OC(F)F ZINC000575655539 384355369 /nfs/dbraw/zinc/35/53/69/384355369.db2.gz ACOMUCKFDMCMOS-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN O=Cc1c[nH]c2nc(Br)ccc12 ZINC000044713375 384356076 /nfs/dbraw/zinc/35/60/76/384356076.db2.gz DQHQOTOTCUBNFL-UHFFFAOYSA-N 0 0 225.045 2.138 10 0 BEAERN CCCn1c(C)nnc1SCC(=O)C1CC1 ZINC000134467305 384356987 /nfs/dbraw/zinc/35/69/87/384356987.db2.gz SHNTXIZAMBISPD-UHFFFAOYSA-N 0 0 239.344 2.068 10 0 BEAERN CCCc1nc(Nc2ccccc2N)n[nH]1 ZINC000095081580 384358306 /nfs/dbraw/zinc/35/83/06/384358306.db2.gz GIECLEAOLBKUMA-UHFFFAOYSA-N 0 0 217.276 2.083 10 0 BEAERN CC(C)[N@@H+]1CCC2(C1)CCC(C(=O)[O-])CC2 ZINC000095088223 384360731 /nfs/dbraw/zinc/36/07/31/384360731.db2.gz WQVNAIGTNUJGSB-UHFFFAOYSA-N 0 0 225.332 2.362 10 0 BEAERN C[C@@H]1OCC[C@@H]1Nc1ncc(Cl)cc1F ZINC000134573131 384366671 /nfs/dbraw/zinc/36/66/71/384366671.db2.gz WPLHLCBIWLGKQT-RCOVLWMOSA-N 0 0 230.670 2.463 10 0 BEAERN C[C@H]1OCC[C@@H]1Nc1ncnc2ccsc21 ZINC000134569823 384366912 /nfs/dbraw/zinc/36/69/12/384366912.db2.gz DSCDXKQFKCVXNF-SFYZADRCSA-N 0 0 235.312 2.281 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000134572023 384367219 /nfs/dbraw/zinc/36/72/19/384367219.db2.gz YVLRTDKMKMHTNM-DTWKUNHWSA-N 0 0 217.272 2.152 10 0 BEAERN CO[C@H](c1ccccc1Cl)[C@H](C)NO ZINC000095347598 384367927 /nfs/dbraw/zinc/36/79/27/384367927.db2.gz RKXBNTAHBSGATO-XVKPBYJWSA-N 0 0 215.680 2.395 10 0 BEAERN C[C@H](NC(=S)Nc1ccncc1)C(C)(C)C ZINC000013724788 384372175 /nfs/dbraw/zinc/37/21/75/384372175.db2.gz TYNORQRGVYNOSO-VIFPVBQESA-N 0 0 237.372 2.225 10 0 BEAERN CCOc1c(CO)cc(C)cc1OC(F)F ZINC000575656524 384372613 /nfs/dbraw/zinc/37/26/13/384372613.db2.gz HOXNWWVPVIJWSF-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN CCSc1cc(C(=O)N[C@H]2C[C@@H]2C)ccn1 ZINC000075508389 384326918 /nfs/dbraw/zinc/32/69/18/384326918.db2.gz PGRJDHPIFSHSGM-WPRPVWTQSA-N 0 0 236.340 2.332 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000075506955 384326994 /nfs/dbraw/zinc/32/69/94/384326994.db2.gz QCSRBPQYPSOEFS-RNCFNFMXSA-N 0 0 226.279 2.373 10 0 BEAERN CCOc1cccc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000075509152 384327042 /nfs/dbraw/zinc/32/70/42/384327042.db2.gz NLVTUVULTJEZBU-SKDRFNHKSA-N 0 0 219.284 2.224 10 0 BEAERN Cc1ccc(CC(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000075507345 384327559 /nfs/dbraw/zinc/32/75/59/384327559.db2.gz ZVYRAQRIQJJWEI-OIBJUYFYSA-N 0 0 209.314 2.124 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000075528613 384329533 /nfs/dbraw/zinc/32/95/33/384329533.db2.gz CXXOJERXYUKUJI-PWSUYJOCSA-N 0 0 203.285 2.442 10 0 BEAERN COC(=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000095830208 384400349 /nfs/dbraw/zinc/40/03/49/384400349.db2.gz FKVGADHSGFKPLT-LLVKDONJSA-N 0 0 219.284 2.076 10 0 BEAERN COC(=O)C[C@@H]1CCc2cc(OC)ccc21 ZINC000095829878 384400472 /nfs/dbraw/zinc/40/04/72/384400472.db2.gz ANKFGULNZWGLMH-JTQLQIEISA-N 0 0 220.268 2.288 10 0 BEAERN COc1ccc(OC(F)F)c(F)c1C=O ZINC000575659601 384404914 /nfs/dbraw/zinc/40/49/14/384404914.db2.gz HCTXIXUYSKYZIK-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(O)c(C)cc1OC(F)F ZINC000575664500 384426613 /nfs/dbraw/zinc/42/66/13/384426613.db2.gz HBUUFFADBGUITG-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN C/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C ZINC000095932790 384410609 /nfs/dbraw/zinc/41/06/09/384410609.db2.gz AZYAWTXHVLUIPW-KLGBCXIOSA-N 0 0 242.278 2.180 10 0 BEAERN Cc1cnccc1NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000121332642 384413160 /nfs/dbraw/zinc/41/31/60/384413160.db2.gz FYWXCVUGEQKDGS-CMPLNLGQSA-N 0 0 249.314 2.079 10 0 BEAERN CC(=O)c1cc(OC(F)F)c(C=O)cc1O ZINC000575661921 384417127 /nfs/dbraw/zinc/41/71/27/384417127.db2.gz UWOZCBYEDSJDPP-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN CC(C)C[C@@H](C)NC(=O)c1cnn2c1CCCC2 ZINC000121469731 384418258 /nfs/dbraw/zinc/41/82/58/384418258.db2.gz YMUYSLAPDLNGQY-LLVKDONJSA-N 0 0 249.358 2.384 10 0 BEAERN CC(C)(O)c1c(F)cncc1Br ZINC000096032298 384420593 /nfs/dbraw/zinc/42/05/93/384420593.db2.gz TZQQJKRAHYRQHO-UHFFFAOYSA-N 0 0 234.068 2.211 10 0 BEAERN CCc1c(OC(F)F)ccc(OC)c1CO ZINC000575657447 384384192 /nfs/dbraw/zinc/38/41/92/384384192.db2.gz MNTXYBCDUACUPU-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN CCc1cc(CO)c(OC)c(OC(F)F)c1 ZINC000575657368 384385528 /nfs/dbraw/zinc/38/55/28/384385528.db2.gz LOLCIWGPIXTTEG-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN COC(=O)c1c(F)cc(F)c(F)c1F ZINC000047202463 384444385 /nfs/dbraw/zinc/44/43/85/384444385.db2.gz PXXRNDMEWYJEDI-UHFFFAOYSA-N 0 0 208.110 2.030 10 0 BEAERN COC(=O)c1cccc(O)c1OC(F)(F)F ZINC000309171993 384445859 /nfs/dbraw/zinc/44/58/59/384445859.db2.gz QHQADUVSHQQHLE-UHFFFAOYSA-N 0 0 236.145 2.077 10 0 BEAERN C[C@@H](CO)N(C)C(=O)c1cc2ccccc2s1 ZINC000135460162 384446032 /nfs/dbraw/zinc/44/60/32/384446032.db2.gz SDWBILUZZGVICJ-VIFPVBQESA-N 0 0 249.335 2.354 10 0 BEAERN COC(=O)c1cccnc1CN1CCC(C)(C)C1 ZINC000305964732 384451887 /nfs/dbraw/zinc/45/18/87/384451887.db2.gz OXYALLYPFPYNPV-UHFFFAOYSA-N 0 0 248.326 2.100 10 0 BEAERN COC(=O)c1c(F)ccc(F)c1Cl ZINC000044199593 384452060 /nfs/dbraw/zinc/45/20/60/384452060.db2.gz MUZXEGBDPWQNJE-UHFFFAOYSA-N 0 0 206.575 2.405 10 0 BEAERN CSCCC(=O)N(C)c1cccc(C)n1 ZINC000135238379 384429091 /nfs/dbraw/zinc/42/90/91/384429091.db2.gz PKXKTZFMJRGQIP-UHFFFAOYSA-N 0 0 224.329 2.106 10 0 BEAERN COC(=O)c1c(N)cccc1C(F)(F)F ZINC000047202224 384443391 /nfs/dbraw/zinc/44/33/91/384443391.db2.gz QBIKBSBCFBNSAO-UHFFFAOYSA-N 0 0 219.162 2.074 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000017057041 384479702 /nfs/dbraw/zinc/47/97/02/384479702.db2.gz ZNVPVMDQEBBDQD-VIFPVBQESA-N 0 0 231.299 2.337 10 0 BEAERN Cn1c2ccccc2nc1N[C@H]1CCCC[C@H]1O ZINC000079046778 384482353 /nfs/dbraw/zinc/48/23/53/384482353.db2.gz FXYMPIBUTNZUKB-WCQYABFASA-N 0 0 245.326 2.289 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@H](c2cc[nH]n2)C1 ZINC000079069524 384483576 /nfs/dbraw/zinc/48/35/76/384483576.db2.gz WLWKRGQGMWUYIB-VIFPVBQESA-N 0 0 237.303 2.134 10 0 BEAERN CCc1cc(N)nc(-c2cccs2)n1 ZINC000050846210 384495986 /nfs/dbraw/zinc/49/59/86/384495986.db2.gz ZWAMMDOWDKULQX-UHFFFAOYSA-N 0 0 205.286 2.350 10 0 BEAERN c1ccc(Cn2nnnc2SCC2CC2)cc1 ZINC000122779764 384511554 /nfs/dbraw/zinc/51/15/54/384511554.db2.gz NMPDYTIEMYLQQG-UHFFFAOYSA-N 0 0 246.339 2.224 10 0 BEAERN c1cc(CN2CCOc3ccccc32)no1 ZINC000122740908 384508870 /nfs/dbraw/zinc/50/88/70/384508870.db2.gz LTYINVDSUBQVKE-UHFFFAOYSA-N 0 0 216.240 2.074 10 0 BEAERN C[C@H](CCO)NC(=O)c1cccc2ccccc21 ZINC000122518909 384487524 /nfs/dbraw/zinc/48/75/24/384487524.db2.gz MJEJTHRRVGZIQV-LLVKDONJSA-N 0 0 243.306 2.341 10 0 BEAERN CCc1ccc(NC(=O)Cn2cccn2)cc1F ZINC000122845150 384514243 /nfs/dbraw/zinc/51/42/43/384514243.db2.gz VDHRFKJEUDXCAW-UHFFFAOYSA-N 0 0 247.273 2.223 10 0 BEAERN CCONC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000161712558 384519350 /nfs/dbraw/zinc/51/93/50/384519350.db2.gz CNTLFGISYJERIU-ZWNOBZJWSA-N 0 0 248.326 2.479 10 0 BEAERN FC(F)(F)c1c[nH]c(-c2cccnc2)n1 ZINC000019616234 384527868 /nfs/dbraw/zinc/52/78/68/384527868.db2.gz BSIXIBWASJDSKW-UHFFFAOYSA-N 0 0 213.162 2.491 10 0 BEAERN Cc1ccc([C@@H]2NC(=O)[C@H]3CCCCN32)c(C)c1 ZINC000071967399 384529175 /nfs/dbraw/zinc/52/91/75/384529175.db2.gz BFLYFBPEMHFNNK-ZIAGYGMSSA-N 0 0 244.338 2.286 10 0 BEAERN CCOC(=O)[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000049371963 384532888 /nfs/dbraw/zinc/53/28/88/384532888.db2.gz LRJNGQFQIQHYRL-JGVFFNPUSA-N 0 0 242.344 2.054 10 0 BEAERN CCCN(CC(F)F)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000151209462 384547966 /nfs/dbraw/zinc/54/79/66/384547966.db2.gz ROQQVXSMCMTYCY-IUCAKERBSA-N 0 0 235.274 2.058 10 0 BEAERN C[C@H]1CC[C@H](C(=O)N(C)C(C2CC2)C2CC2)O1 ZINC000151159773 384547998 /nfs/dbraw/zinc/54/79/98/384547998.db2.gz DFSZLRPFOOCAGK-JOYOIKCWSA-N 0 0 237.343 2.201 10 0 BEAERN CC(C)n1cnnc1SCC1(O)CCCC1 ZINC000408059391 384553956 /nfs/dbraw/zinc/55/39/56/384553956.db2.gz CEYHDCSZPWMXJK-UHFFFAOYSA-N 0 0 241.360 2.256 10 0 BEAERN CC(C)[C@H](C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172260094 384556488 /nfs/dbraw/zinc/55/64/88/384556488.db2.gz MNGRLTKEXLVIKI-RYUDHWBXSA-N 0 0 249.358 2.028 10 0 BEAERN C[C@H](O)c1ccc(Br)cc1N ZINC000258558237 384607237 /nfs/dbraw/zinc/60/72/37/384607237.db2.gz RMKUIEAKXIWCAB-YFKPBYRVSA-N 0 0 216.078 2.085 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000103357323 384608245 /nfs/dbraw/zinc/60/82/45/384608245.db2.gz DLTQSSKWJJMBAB-BXUZGUMPSA-N 0 0 247.338 2.463 10 0 BEAERN C[C@@H](O)c1ccc(Br)cc1N ZINC000258558234 384608862 /nfs/dbraw/zinc/60/88/62/384608862.db2.gz RMKUIEAKXIWCAB-RXMQYKEDSA-N 0 0 216.078 2.085 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)CCC(C)C ZINC000103357448 384608977 /nfs/dbraw/zinc/60/89/77/384608977.db2.gz GEDFOFZZCJOBPF-WDEREUQCSA-N 0 0 215.337 2.210 10 0 BEAERN COC[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000103357487 384609420 /nfs/dbraw/zinc/60/94/20/384609420.db2.gz RIAJBKKTDLWVLW-NSHDSACASA-N 0 0 225.332 2.276 10 0 BEAERN COC[C@H](C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000103373099 384612517 /nfs/dbraw/zinc/61/25/17/384612517.db2.gz CESSVQHDRLRWFR-SRVKXCTJSA-N 0 0 227.348 2.306 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000176343401 384615735 /nfs/dbraw/zinc/61/57/35/384615735.db2.gz FUNNHEPLFAPNPF-WYUUTHIRSA-N 0 0 222.332 2.369 10 0 BEAERN CCOc1ccc(C2=NN(C)C(=O)C2C)cc1 ZINC000100231327 384625452 /nfs/dbraw/zinc/62/54/52/384625452.db2.gz GMKJYIZCZXICDB-UHFFFAOYSA-N 0 0 232.283 2.500 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000103516552 384628761 /nfs/dbraw/zinc/62/87/61/384628761.db2.gz KKJWKSDEKWEIKG-ADEWGFFLSA-N 0 0 222.332 2.369 10 0 BEAERN COc1cc(C(F)(F)F)nc(Cl)n1 ZINC000098096626 384593941 /nfs/dbraw/zinc/59/39/41/384593941.db2.gz CBJNQGZYEYYRMP-UHFFFAOYSA-N 0 0 212.558 2.157 10 0 BEAERN Clc1ncnc2c1ccn2CC1CC1 ZINC000098179295 384598636 /nfs/dbraw/zinc/59/86/36/384598636.db2.gz DKEISTFEIIXFRF-UHFFFAOYSA-N 0 0 207.664 2.495 10 0 BEAERN COC(=O)Cc1coc2cc(O)c(C)cc12 ZINC000098179199 384598745 /nfs/dbraw/zinc/59/87/45/384598745.db2.gz YLYZXNNGQGVSIE-UHFFFAOYSA-N 0 0 220.224 2.162 10 0 BEAERN COC(=O)Cc1coc2c1ccc(O)c2C ZINC000098179201 384599675 /nfs/dbraw/zinc/59/96/75/384599675.db2.gz UNSPIPPTCOCUSO-UHFFFAOYSA-N 0 0 220.224 2.162 10 0 BEAERN Clc1ncnc2ccn(C[C@H]3CCCO3)c21 ZINC000098179303 384599847 /nfs/dbraw/zinc/59/98/47/384599847.db2.gz UHVCVDALCUSVLK-MRVPVSSYSA-N 0 0 237.690 2.264 10 0 BEAERN Cc1nc(C)c(F)c(N[C@H]2C[C@@H]2C2CC2)n1 ZINC000309853378 384669739 /nfs/dbraw/zinc/66/97/39/384669739.db2.gz JQAOADQYHFITGJ-ZJUUUORDSA-N 0 0 221.279 2.443 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)C1(C)CCCCC1 ZINC000157048356 384673042 /nfs/dbraw/zinc/67/30/42/384673042.db2.gz GFAVJFRAEUMWHC-MNOVXSKESA-N 0 0 225.332 2.250 10 0 BEAERN C=CC(=O)O[C@@H]1C=C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000100439927 384641729 /nfs/dbraw/zinc/64/17/29/384641729.db2.gz ISRJTGUYHVPAOR-UYNYGYNWSA-N 0 0 204.269 2.316 10 0 BEAERN CSCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000021028690 384644899 /nfs/dbraw/zinc/64/48/99/384644899.db2.gz OEWMJIKVZJAWGQ-UHFFFAOYSA-N 0 0 236.296 2.438 10 0 BEAERN Cc1cnc([C@@H](C)Nc2cncc(C)n2)o1 ZINC000309829051 384647826 /nfs/dbraw/zinc/64/78/26/384647826.db2.gz YAXDYMWFXXWKFH-SECBINFHSA-N 0 0 218.260 2.255 10 0 BEAERN CCOC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC000044413722 384654632 /nfs/dbraw/zinc/65/46/32/384654632.db2.gz NIDQHBVJBURSTF-JTQLQIEISA-N 0 0 246.310 2.323 10 0 BEAERN CCOc1c(C=O)c(CC)ccc1OC ZINC000575694541 384659769 /nfs/dbraw/zinc/65/97/69/384659769.db2.gz FBICVYFVAMIXBE-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN OCc1c(F)cc(F)cc1C(F)(F)F ZINC000575694445 384660025 /nfs/dbraw/zinc/66/00/25/384660025.db2.gz HNDQITXCNIIBJG-UHFFFAOYSA-N 0 0 212.117 2.476 10 0 BEAERN CC[C@H](NCC(F)(F)CO)C(C)(C)C ZINC000336656670 384662571 /nfs/dbraw/zinc/66/25/71/384662571.db2.gz ORXSCIDLMUOVHU-QMMMGPOBSA-N 0 0 209.280 2.028 10 0 BEAERN Nc1cc(N)cc(NC(=O)Cc2ccccc2)c1 ZINC000036476107 384687849 /nfs/dbraw/zinc/68/78/49/384687849.db2.gz WRMMLVFVSZFYPK-UHFFFAOYSA-N 0 0 241.294 2.032 10 0 BEAERN CCN(CC)c1ccc(C(C)=O)cc1N ZINC000082532683 384690732 /nfs/dbraw/zinc/69/07/32/384690732.db2.gz CYCWBMXBZVCVNI-UHFFFAOYSA-N 0 0 206.289 2.318 10 0 BEAERN Cc1nnc(CN[C@@H](C)c2ccc(C)c(F)c2)[nH]1 ZINC000358040601 384693871 /nfs/dbraw/zinc/69/38/71/384693871.db2.gz RYTIHSRYBROADI-VIFPVBQESA-N 0 0 248.305 2.411 10 0 BEAERN COc1ccc(Cn2ccnc2C)cc1 ZINC000041211127 384697145 /nfs/dbraw/zinc/69/71/45/384697145.db2.gz MFUUHBUWFUKXFC-UHFFFAOYSA-N 0 0 202.257 2.248 10 0 BEAERN Cc1ncnc2c1ncn2-c1ccccc1 ZINC000014593168 384698557 /nfs/dbraw/zinc/69/85/57/384698557.db2.gz NUPLTOLQRSTIKJ-UHFFFAOYSA-N 0 0 210.240 2.124 10 0 BEAERN CCCC(CCC)C(=O)NCc1noc(C)n1 ZINC000125219656 384700217 /nfs/dbraw/zinc/70/02/17/384700217.db2.gz ZFRBOEBKNPIDPI-UHFFFAOYSA-N 0 0 239.319 2.211 10 0 BEAERN Cn1ccnc1CN[C@H]1CCCc2occc21 ZINC000051921353 384705314 /nfs/dbraw/zinc/70/53/14/384705314.db2.gz CTQAGHGTUCKQGQ-NSHDSACASA-N 0 0 231.299 2.180 10 0 BEAERN Cc1ccc(C)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000051990206 384707652 /nfs/dbraw/zinc/70/76/52/384707652.db2.gz ZCXFCVPWSMOTGE-UONOGXRCSA-N 0 0 247.338 2.337 10 0 BEAERN CON(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000185349673 384709878 /nfs/dbraw/zinc/70/98/78/384709878.db2.gz BYHOKJAMSNWBDA-SSDOTTSWSA-N 0 0 244.241 2.229 10 0 BEAERN CCS(=O)(=O)c1ccccc1N[C@H]1C[C@@H]1C ZINC000052291045 384727772 /nfs/dbraw/zinc/72/77/72/384727772.db2.gz QVRZTZGIXWIJLW-ONGXEEELSA-N 0 0 239.340 2.301 10 0 BEAERN CCO[C@@H]1C[C@H](c2ccccc2)C(=O)O1 ZINC000143253668 384721453 /nfs/dbraw/zinc/72/14/53/384721453.db2.gz UWNOCPOSLHHZDE-MNOVXSKESA-N 0 0 206.241 2.080 10 0 BEAERN CCCCN(CC)C(=O)c1cnn2c1CCCC2 ZINC000126101873 384774113 /nfs/dbraw/zinc/77/41/13/384774113.db2.gz CXEPMSPJIBYQMI-UHFFFAOYSA-N 0 0 249.358 2.482 10 0 BEAERN COC[C@H](C)C(=O)OCc1ccc(Cl)nc1 ZINC000103552538 384778337 /nfs/dbraw/zinc/77/83/37/384778337.db2.gz ODHSGOOUVGSHKD-QMMMGPOBSA-N 0 0 243.690 2.061 10 0 BEAERN CCS(=O)(=O)c1ccccc1N[C@@H]1C[C@@H]1C ZINC000052291042 384729112 /nfs/dbraw/zinc/72/91/12/384729112.db2.gz QVRZTZGIXWIJLW-GXSJLCMTSA-N 0 0 239.340 2.301 10 0 BEAERN COCCc1ccnc(NC2CC(C)C2)c1 ZINC000309942333 384733568 /nfs/dbraw/zinc/73/35/68/384733568.db2.gz CBGXLQPLARNYPR-UHFFFAOYSA-N 0 0 220.316 2.481 10 0 BEAERN C[C@H](CO)[C@H](C)Nc1nc2ccccc2o1 ZINC000125634249 384737331 /nfs/dbraw/zinc/73/73/31/384737331.db2.gz BLEUWMAYQCJDSI-BDAKNGLRSA-N 0 0 220.272 2.257 10 0 BEAERN C[C@@H](CO)[C@@H](C)Nc1nc2ccccc2o1 ZINC000125633566 384738494 /nfs/dbraw/zinc/73/84/94/384738494.db2.gz BLEUWMAYQCJDSI-DTWKUNHWSA-N 0 0 220.272 2.257 10 0 BEAERN CCOC(=O)c1cc(O)c(F)cc1Cl ZINC000575700975 384745726 /nfs/dbraw/zinc/74/57/26/384745726.db2.gz OKGSZWGNXLWFDV-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN CC(C)(C(=O)N[C@H]1CCC[C@H](O)C1)C1CCC1 ZINC000648156739 384747654 /nfs/dbraw/zinc/74/76/54/384747654.db2.gz ZNULWWILFYNDTA-RYUDHWBXSA-N 0 0 239.359 2.232 10 0 BEAERN COC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000103085178 384749014 /nfs/dbraw/zinc/74/90/14/384749014.db2.gz SZGZFEBUHDNNMF-LDYMZIIASA-N 0 0 248.282 2.003 10 0 BEAERN CCc1c(SC)ccc(F)c1C(N)=O ZINC000575701552 384750307 /nfs/dbraw/zinc/75/03/07/384750307.db2.gz DEOLWSMTQKFTAW-UHFFFAOYSA-N 0 0 213.277 2.209 10 0 BEAERN CCOC(=O)c1cc(O)cc(Cl)c1F ZINC000575701427 384750545 /nfs/dbraw/zinc/75/05/45/384750545.db2.gz YWKHYBJSLWMZBI-UHFFFAOYSA-N 0 0 218.611 2.361 10 0 BEAERN O=C([O-])CC[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC000083308555 384757895 /nfs/dbraw/zinc/75/78/95/384757895.db2.gz MFHVFBOZOHBQLO-OAHLLOKOSA-N 0 0 247.338 2.464 10 0 BEAERN COC(=O)[C@H](C)N[C@@H](C)C1C(C)(C)C1(C)C ZINC000309977628 384757889 /nfs/dbraw/zinc/75/78/89/384757889.db2.gz ULGXZANYZXZBHY-IUCAKERBSA-N 0 0 227.348 2.208 10 0 BEAERN CCOC(=O)/C=C\c1ccc(Cl)cc1N ZINC000083291639 384759397 /nfs/dbraw/zinc/75/93/97/384759397.db2.gz SGOIKSSENDMYNM-XQRVVYSFSA-N 0 0 225.675 2.499 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(C)c(C)c1 ZINC000103357192 384761873 /nfs/dbraw/zinc/76/18/73/384761873.db2.gz ILVMEPRKEOCSOH-NSHDSACASA-N 0 0 222.284 2.491 10 0 BEAERN C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)c1ccccc1 ZINC000125955004 384762159 /nfs/dbraw/zinc/76/21/59/384762159.db2.gz VPXJEOJGSZOXOC-XQQFMLRXSA-N 0 0 247.338 2.426 10 0 BEAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000103355824 384762427 /nfs/dbraw/zinc/76/24/27/384762427.db2.gz VJMXMXOAAACQRD-MNOVXSKESA-N 0 0 221.300 2.146 10 0 BEAERN CCOc1ccc(NC(=O)[C@H](C)COC)cc1 ZINC000103356063 384763005 /nfs/dbraw/zinc/76/30/05/384763005.db2.gz XHEJWXQDGJWLEQ-SNVBAGLBSA-N 0 0 237.299 2.306 10 0 BEAERN COC[C@H](C)C(=O)Nc1cc(F)cc(F)c1 ZINC000103362444 384764215 /nfs/dbraw/zinc/76/42/15/384764215.db2.gz JBSJLPCDOXFITF-ZETCQYMHSA-N 0 0 229.226 2.186 10 0 BEAERN CCc1ccc(SC)c(C(N)=O)c1OC ZINC000575702931 384764320 /nfs/dbraw/zinc/76/43/20/384764320.db2.gz KJDFHSWKROIKRB-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(C)cc1C ZINC000103359695 384764882 /nfs/dbraw/zinc/76/48/82/384764882.db2.gz KDIPXYGEGXAFIV-NSHDSACASA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@H](C)C(=O)NCCCc1ccccc1 ZINC000103357429 384764910 /nfs/dbraw/zinc/76/49/10/384764910.db2.gz WMQKRYMCMWNFTA-LBPRGKRZSA-N 0 0 235.327 2.018 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)cc1C ZINC000103358844 384765177 /nfs/dbraw/zinc/76/51/77/384765177.db2.gz MYRWLIZKYFRPNO-SECBINFHSA-N 0 0 225.263 2.355 10 0 BEAERN COC[C@@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000103373466 384765221 /nfs/dbraw/zinc/76/52/21/384765221.db2.gz CPMHOPIJUGPJAS-MRVPVSSYSA-N 0 0 241.262 2.055 10 0 BEAERN COC[C@@H](C)C(=O)N(C)c1cc(F)ccc1F ZINC000103389709 384769083 /nfs/dbraw/zinc/76/90/83/384769083.db2.gz HIXSURJPWWQDSH-MRVPVSSYSA-N 0 0 243.253 2.210 10 0 BEAERN COC(=O)C[C@H]1CCOc2ccccc21 ZINC000117995964 384770705 /nfs/dbraw/zinc/77/07/05/384770705.db2.gz VCIJAKKAYLOZEO-SECBINFHSA-N 0 0 206.241 2.116 10 0 BEAERN C[C@H](C(=O)N[C@@H]1C[C@H]1C)c1ccccc1F ZINC000108994063 384821859 /nfs/dbraw/zinc/82/18/59/384821859.db2.gz CCWSBYKEXVUVTJ-VDDIYKPWSA-N 0 0 221.275 2.454 10 0 BEAERN CC[C@H](CNc1nc(C)nc(C)c1F)OC ZINC000310019105 384786723 /nfs/dbraw/zinc/78/67/23/384786723.db2.gz MHYFDIQGKXCAMU-SECBINFHSA-N 0 0 227.283 2.069 10 0 BEAERN Cc1c(CNc2cncc(C)c2)cnn1C ZINC000126299108 384789609 /nfs/dbraw/zinc/78/96/09/384789609.db2.gz DFRDEQBGZPCJJK-UHFFFAOYSA-N 0 0 216.288 2.044 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(C)nc(OC)n1 ZINC000310022981 384789795 /nfs/dbraw/zinc/78/97/95/384789795.db2.gz ODUPVXWCNCUHOM-ZJUUUORDSA-N 0 0 221.304 2.394 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000185953644 384796531 /nfs/dbraw/zinc/79/65/31/384796531.db2.gz QFMPNBNQMHZNGX-STQMWFEESA-N 0 0 249.358 2.134 10 0 BEAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccn[nH]1 ZINC000103055085 384796730 /nfs/dbraw/zinc/79/67/30/384796730.db2.gz FMORVJHCRBCBKV-WDEREUQCSA-N 0 0 235.331 2.354 10 0 BEAERN Cc1cnn(CCNC(=O)C[C@H]2CCC[C@@H]2C)c1 ZINC000185953662 384797855 /nfs/dbraw/zinc/79/78/55/384797855.db2.gz QFMPNBNQMHZNGX-QWHCGFSZSA-N 0 0 249.358 2.134 10 0 BEAERN Brc1ncc(-c2ccncc2)cn1 ZINC000072192087 384804662 /nfs/dbraw/zinc/80/46/62/384804662.db2.gz UIOJRZQIAAKAOV-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN CCOc1c(CC)cc(N)cc1C(C)=O ZINC000575716539 384877014 /nfs/dbraw/zinc/87/70/14/384877014.db2.gz FHEVQERKEMXPIT-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CSc1ccc(NC[C@](C)(O)C(C)C)nn1 ZINC000301426047 384877359 /nfs/dbraw/zinc/87/73/59/384877359.db2.gz LJHSLCZGVJTESJ-NSHDSACASA-N 0 0 241.360 2.017 10 0 BEAERN O=C(C(F)F)[C@@H]1CCCc2cccnc21 ZINC000163955904 384883091 /nfs/dbraw/zinc/88/30/91/384883091.db2.gz BMFFHPPYMPRGLB-MRVPVSSYSA-N 0 0 211.211 2.336 10 0 BEAERN CCC1(NC(=O)c2cnn3c2CCCC3)CCC1 ZINC000127347574 384884929 /nfs/dbraw/zinc/88/49/29/384884929.db2.gz HCNYHGRFFUGFIC-UHFFFAOYSA-N 0 0 247.342 2.282 10 0 BEAERN CCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000084225642 384850082 /nfs/dbraw/zinc/85/00/82/384850082.db2.gz DOVPHHBKZPZAAS-ZWNOBZJWSA-N 0 0 223.316 2.093 10 0 BEAERN c1ccc(CN2CCOc3ccccc32)nc1 ZINC000104946251 384850402 /nfs/dbraw/zinc/85/04/02/384850402.db2.gz BINZDIDWLKUFCM-UHFFFAOYSA-N 0 0 226.279 2.481 10 0 BEAERN COc1ccc2c(c1)CCC1=C2CCC(=O)N1 ZINC000060214513 384861591 /nfs/dbraw/zinc/86/15/91/384861591.db2.gz KKRHIDWSDLAKNN-UHFFFAOYSA-N 0 0 229.279 2.263 10 0 BEAERN COC(=O)c1cc(O)cc(F)c1C(F)(F)F ZINC000575714752 384864145 /nfs/dbraw/zinc/86/41/45/384864145.db2.gz XZRLDGMWQNWLFP-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN C[C@H]1C[C@@H](O)CN(c2ccc3ccccc3n2)C1 ZINC000335237991 384866358 /nfs/dbraw/zinc/86/63/58/384866358.db2.gz OGGDZPGNAHNOPJ-WCQYABFASA-N 0 0 242.322 2.442 10 0 BEAERN CSc1ccc(NCc2cccnc2)nn1 ZINC000301208578 384867561 /nfs/dbraw/zinc/86/75/61/384867561.db2.gz SBFGLQCQTOBODT-UHFFFAOYSA-N 0 0 232.312 2.206 10 0 BEAERN Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ncn1 ZINC000156755192 384949005 /nfs/dbraw/zinc/94/90/05/384949005.db2.gz FVTKYTKFAJRFLG-UHTWSYAYSA-N 0 0 247.342 2.035 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ncncc1Br ZINC000085465643 384949726 /nfs/dbraw/zinc/94/97/26/384949726.db2.gz KIQUBPWSXYOZFE-VDTYLAMSSA-N 0 0 228.093 2.059 10 0 BEAERN C[C@@H](C(=O)OC(C)(C)C)C(=O)C1CCC1 ZINC000085495025 384953088 /nfs/dbraw/zinc/95/30/88/384953088.db2.gz RLDVIWOAJOCRFE-MRVPVSSYSA-N 0 0 212.289 2.333 10 0 BEAERN CC(C)OC(=O)N[C@@H]1CS[C@H](C)C1 ZINC000307160483 384955609 /nfs/dbraw/zinc/95/56/09/384955609.db2.gz DUXSIPMNCHJBID-SFYZADRCSA-N 0 0 203.307 2.015 10 0 BEAERN CCOc1ccc(N)c(N)c1Br ZINC000575720287 384896590 /nfs/dbraw/zinc/89/65/90/384896590.db2.gz UDOGWFQZPFAIKZ-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN Nc1cc(OC(F)F)c(O)cc1Cl ZINC000575720289 384896908 /nfs/dbraw/zinc/89/69/08/384896908.db2.gz KDDVUGISSSSQLE-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1cc(Br)cc(O)c1N ZINC000575722330 384898545 /nfs/dbraw/zinc/89/85/45/384898545.db2.gz HGLZWRCQIZPNDP-UHFFFAOYSA-N 0 0 232.077 2.136 10 0 BEAERN CCOc1cc(N)c(OC)c(Br)c1 ZINC000575723550 384901441 /nfs/dbraw/zinc/90/14/41/384901441.db2.gz XPONFCAMQFXIQV-UHFFFAOYSA-N 0 0 246.104 2.439 10 0 BEAERN C[C@@H](NC(=O)C[C@H]1CCC[C@H]1C)[C@H]1CCCO1 ZINC000248914754 384903285 /nfs/dbraw/zinc/90/32/85/384903285.db2.gz CTUDWTKUMDGNLY-FDYHWXHSSA-N 0 0 239.359 2.496 10 0 BEAERN Cc1ncsc1-c1nc(Cl)no1 ZINC000156596925 384903679 /nfs/dbraw/zinc/90/36/79/384903679.db2.gz MCPUQHCHLMZJDX-UHFFFAOYSA-N 0 0 201.638 2.155 10 0 BEAERN Cc1ccnc(N[C@@H](CO)c2ccco2)c1 ZINC000301647199 384903745 /nfs/dbraw/zinc/90/37/45/384903745.db2.gz OJJXLVXEWAFSBZ-JTQLQIEISA-N 0 0 218.256 2.129 10 0 BEAERN CCCc1nnc(N[C@H](CCO)C(C)C)s1 ZINC000301638361 384904725 /nfs/dbraw/zinc/90/47/25/384904725.db2.gz ANJVTOZUHLWOFT-SECBINFHSA-N 0 0 243.376 2.310 10 0 BEAERN CCOC(=O)c1cc(CC)cc(N)c1OCC ZINC000575723899 384906385 /nfs/dbraw/zinc/90/63/85/384906385.db2.gz HYRVWIXNGDLLNL-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCCc1nnc(N[C@H](CC)CCO)s1 ZINC000301665631 384906990 /nfs/dbraw/zinc/90/69/90/384906990.db2.gz LYLGCFJGVDHRMB-MRVPVSSYSA-N 0 0 229.349 2.064 10 0 BEAERN CCCc1nnc(NC[C@@H](O)C(C)(C)C)s1 ZINC000301682737 384907296 /nfs/dbraw/zinc/90/72/96/384907296.db2.gz UHDKYUPYBBJBKP-MRVPVSSYSA-N 0 0 243.376 2.310 10 0 BEAERN CCCc1nnc(N[C@@H](C)CCCO)s1 ZINC000301666616 384907441 /nfs/dbraw/zinc/90/74/41/384907441.db2.gz MJHKCHUOZFWLEZ-QMMMGPOBSA-N 0 0 229.349 2.064 10 0 BEAERN CCCc1nnc(N[C@H](CCO)C2CC2)s1 ZINC000301672834 384907869 /nfs/dbraw/zinc/90/78/69/384907869.db2.gz OXWRCNWKNUJELC-SECBINFHSA-N 0 0 241.360 2.064 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(C)c1OCC ZINC000575724129 384909651 /nfs/dbraw/zinc/90/96/51/384909651.db2.gz VGXYGBPCNYMFSZ-UHFFFAOYSA-N 0 0 237.299 2.082 10 0 BEAERN CCOc1cncc(N[C@@H](C)C(C)C)n1 ZINC000301698000 384911490 /nfs/dbraw/zinc/91/14/90/384911490.db2.gz OBOBDZNXNSUJLF-VIFPVBQESA-N 0 0 209.293 2.332 10 0 BEAERN CCOc1cncc(N[C@H]2C[C@@H]2CC)n1 ZINC000301707359 384912364 /nfs/dbraw/zinc/91/23/64/384912364.db2.gz SUHBWNIDTZSGEF-IUCAKERBSA-N 0 0 207.277 2.086 10 0 BEAERN COc1cc(C)c(CO)c(OC(F)(F)F)c1 ZINC000575729678 384922924 /nfs/dbraw/zinc/92/29/24/384922924.db2.gz OSGYBEHMPUOENF-UHFFFAOYSA-N 0 0 236.189 2.395 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000150031008 384959490 /nfs/dbraw/zinc/95/94/90/384959490.db2.gz QLAVLFXDJJKGKK-NKWVEPMBSA-N 0 0 247.220 2.085 10 0 BEAERN COc1ccc(OC(F)(F)F)c(N)c1C ZINC000575730653 384926683 /nfs/dbraw/zinc/92/66/83/384926683.db2.gz ZGUAVICLFRKYQS-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1cc(NCC2CC2)ncn1 ZINC000301830062 384928175 /nfs/dbraw/zinc/92/81/75/384928175.db2.gz PMDLKCHAKLXUHK-SCZZXKLOSA-N 0 0 218.304 2.119 10 0 BEAERN C[C@@H](N(C)Cc1nnc(C2CC2)n1C)C1(C)CC1 ZINC000177239384 384928888 /nfs/dbraw/zinc/92/88/88/384928888.db2.gz LESHKGADHAXUFG-SNVBAGLBSA-N 0 0 248.374 2.313 10 0 BEAERN CO[C@@H]1CCC[C@H](Nc2ncc(C)cn2)C1 ZINC000301843699 384935918 /nfs/dbraw/zinc/93/59/18/384935918.db2.gz RRCQAJHDQLDFHS-WDEREUQCSA-N 0 0 221.304 2.155 10 0 BEAERN Cc1cnc(NCC[C@@H]2CCCO2)nc1C ZINC000301899292 384938901 /nfs/dbraw/zinc/93/89/01/384938901.db2.gz XTUDRDZOHGOHPJ-NSHDSACASA-N 0 0 221.304 2.074 10 0 BEAERN C[C@H]1C[C@H]1Nc1nc(N)c2ccccc2n1 ZINC000301898839 384940625 /nfs/dbraw/zinc/94/06/25/384940625.db2.gz XGNWGIORJIWEPS-OIBJUYFYSA-N 0 0 214.272 2.032 10 0 BEAERN CC[C@@H](C)[C@@H](C)Nc1nccnc1N(C)C ZINC000302189308 384977647 /nfs/dbraw/zinc/97/76/47/384977647.db2.gz KDNKHUFKCDAEQN-NXEZZACHSA-N 0 0 222.336 2.389 10 0 BEAERN Cc1cnc([C@H](C)NCc2ccns2)o1 ZINC000404413491 384980577 /nfs/dbraw/zinc/98/05/77/384980577.db2.gz BDMGVBSBJKFSAE-QMMMGPOBSA-N 0 0 223.301 2.290 10 0 BEAERN Cc1cnc([C@@H](C)NCc2conc2C)o1 ZINC000339394168 384987874 /nfs/dbraw/zinc/98/78/74/384987874.db2.gz PVKCXRNRDPPMTI-SECBINFHSA-N 0 0 221.260 2.130 10 0 BEAERN C[C@@H](O)C(C)(C)NC(=O)c1cc2ccccc2[nH]1 ZINC000128062895 384989587 /nfs/dbraw/zinc/98/95/87/384989587.db2.gz LAUKQJVMPLGEBL-SECBINFHSA-N 0 0 246.310 2.057 10 0 BEAERN O=C1Nc2cc(F)ccc2N2CCCC[C@H]12 ZINC000086158678 384994633 /nfs/dbraw/zinc/99/46/33/384994633.db2.gz IBLVRMNLQZQNDL-LLVKDONJSA-N 0 0 220.247 2.137 10 0 BEAERN CC[C@H](C)CC(=O)N1CCC[C@H]1CCCO ZINC000164460414 384996863 /nfs/dbraw/zinc/99/68/63/384996863.db2.gz JADHHDBEILWSAB-RYUDHWBXSA-N 0 0 227.348 2.186 10 0 BEAERN CO[C@@H]1CC[C@H](Nc2cc(C)c(C)nn2)C1 ZINC000302778333 385015585 /nfs/dbraw/zinc/01/55/85/385015585.db2.gz PVCNTQDYILHQKY-WDEREUQCSA-N 0 0 221.304 2.073 10 0 BEAERN CCOCC[S@@](=O)c1ccc(F)c(F)c1 ZINC000108031271 385015675 /nfs/dbraw/zinc/01/56/75/385015675.db2.gz QETLCJNAJXCCQD-HNNXBMFYSA-N 0 0 234.267 2.109 10 0 BEAERN COc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1Cl ZINC000128254216 385016768 /nfs/dbraw/zinc/01/67/68/385016768.db2.gz CBAKTNRPSAERBS-OIBJUYFYSA-N 0 0 239.702 2.487 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)CCOCC1CC1 ZINC000087026035 385065908 /nfs/dbraw/zinc/06/59/08/385065908.db2.gz UASGWRABXPRUDF-LLVKDONJSA-N 0 0 242.363 2.099 10 0 BEAERN CSc1cncc(N[C@H](C)[C@H]2CCCO2)n1 ZINC000131318745 385081764 /nfs/dbraw/zinc/08/17/64/385081764.db2.gz ZRDJJJFYQBWDGE-RKDXNWHRSA-N 0 0 239.344 2.178 10 0 BEAERN Cc1nc(CCCC(=O)N[C@H]2C[C@@H]2C)cs1 ZINC000176158025 385028584 /nfs/dbraw/zinc/02/85/84/385028584.db2.gz CWUJMIIOKSMVEU-KWQFWETISA-N 0 0 238.356 2.299 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)NCc1ccsc1 ZINC000188706793 385083092 /nfs/dbraw/zinc/08/30/92/385083092.db2.gz MSAQMNDKYSGAEM-GXSJLCMTSA-N 0 0 239.340 2.179 10 0 BEAERN CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000058965145 385034657 /nfs/dbraw/zinc/03/46/57/385034657.db2.gz HMXSNLDAYAZADV-GFCCVEGCSA-N 0 0 237.274 2.077 10 0 BEAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccco1 ZINC000164748949 385038124 /nfs/dbraw/zinc/03/81/24/385038124.db2.gz LMVDKZQEYXSSIS-NXEZZACHSA-N 0 0 232.287 2.057 10 0 BEAERN Cc1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)o1 ZINC000164797724 385042030 /nfs/dbraw/zinc/04/20/30/385042030.db2.gz VGTYKOPVUQWTGB-WDEREUQCSA-N 0 0 246.314 2.365 10 0 BEAERN Cc1ccc([C@H](C)N[C@H]2CCCn3ncnc32)o1 ZINC000164797988 385042416 /nfs/dbraw/zinc/04/24/16/385042416.db2.gz VGTYKOPVUQWTGB-QWRGUYRKSA-N 0 0 246.314 2.365 10 0 BEAERN CS[C@@H](C)CNC(=O)[C@H](C)c1cccnc1 ZINC000129107671 385110831 /nfs/dbraw/zinc/11/08/31/385110831.db2.gz PXRHOYZMMUJKTQ-VHSXEESVSA-N 0 0 238.356 2.053 10 0 BEAERN CC[C@](C)(O)CN1CCc2ccc(F)cc21 ZINC000189100360 385124973 /nfs/dbraw/zinc/12/49/73/385124973.db2.gz XYJCFXCOZZKGFX-ZDUSSCGKSA-N 0 0 223.291 2.349 10 0 BEAERN Cn1ncc2c1cc(C(F)(F)F)cc2N ZINC000165455913 385131068 /nfs/dbraw/zinc/13/10/68/385131068.db2.gz KBIIKDJLPQLNIR-UHFFFAOYSA-N 0 0 215.178 2.174 10 0 BEAERN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(Cl)nc1 ZINC000294709365 385135123 /nfs/dbraw/zinc/13/51/23/385135123.db2.gz BSLUPUQNHAQHLX-KOLCDFICSA-N 0 0 240.734 2.080 10 0 BEAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000176685204 385135614 /nfs/dbraw/zinc/13/56/14/385135614.db2.gz JSAPVOKQVKNGMO-AAEUAGOBSA-N 0 0 242.326 2.464 10 0 BEAERN CCONC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081983 385136190 /nfs/dbraw/zinc/13/61/90/385136190.db2.gz JBYDMNVIUKEGAU-RKDXNWHRSA-N 0 0 241.237 2.136 10 0 BEAERN COC(=O)c1ccc2[nH]nc(Cl)c2c1 ZINC000031776786 385103647 /nfs/dbraw/zinc/10/36/47/385103647.db2.gz GGULXYLLYYPWQZ-UHFFFAOYSA-N 0 0 210.620 2.003 10 0 BEAERN CC(C)(C)c1cc2cnccc2[nH]c1=O ZINC000165333781 385107265 /nfs/dbraw/zinc/10/72/65/385107265.db2.gz ZCQYOYSEGCIJLH-UHFFFAOYSA-N 0 0 202.257 2.221 10 0 BEAERN CNc1cc(-c2cccc(OC)c2)[nH]n1 ZINC000062667620 385181614 /nfs/dbraw/zinc/18/16/14/385181614.db2.gz FWNXQHNUAKLNOT-UHFFFAOYSA-N 0 0 203.245 2.127 10 0 BEAERN COC(=O)c1cc2cc(F)c(F)c(F)c2[nH]1 ZINC000062706307 385184495 /nfs/dbraw/zinc/18/44/95/385184495.db2.gz GBTJATCXAATBDZ-UHFFFAOYSA-N 0 0 229.157 2.372 10 0 BEAERN CCc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)cc1 ZINC000305081278 385192184 /nfs/dbraw/zinc/19/21/84/385192184.db2.gz UVFIZSJOKGKCJM-CYBMUJFWSA-N 0 0 249.354 2.386 10 0 BEAERN Cc1cc(Oc2ccc(CCO)cc2)ncn1 ZINC000157303114 385145474 /nfs/dbraw/zinc/14/54/74/385145474.db2.gz MLLRYBCDHCZJBF-UHFFFAOYSA-N 0 0 230.267 2.112 10 0 BEAERN CC(=O)N[C@@H](C)c1ccc(C(C)=O)cc1 ZINC000022004543 385163820 /nfs/dbraw/zinc/16/38/20/385163820.db2.gz RZAWAOKACCQVTF-QMMMGPOBSA-N 0 0 205.257 2.086 10 0 BEAERN CO[C@H](C)CCC(=O)OCc1cncs1 ZINC000129603838 385166461 /nfs/dbraw/zinc/16/64/61/385166461.db2.gz SWYVPHRBWVSUNJ-MRVPVSSYSA-N 0 0 229.301 2.001 10 0 BEAERN CC(C)[C@@H](O)Cc1nc(-c2ccccc2)no1 ZINC000109484449 385168322 /nfs/dbraw/zinc/16/83/22/385168322.db2.gz JSTKTRDKMCQTGV-NSHDSACASA-N 0 0 232.283 2.296 10 0 BEAERN COC[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000109493984 385169926 /nfs/dbraw/zinc/16/99/26/385169926.db2.gz XPJIPSFBXMAYAH-JTQLQIEISA-N 0 0 232.283 2.410 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189664058 385175657 /nfs/dbraw/zinc/17/56/57/385175657.db2.gz TXZKXHUQIJGJHX-ZYHUDNBSSA-N 0 0 249.310 2.454 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189664097 385176556 /nfs/dbraw/zinc/17/65/56/385176556.db2.gz TXZKXHUQIJGJHX-CMPLNLGQSA-N 0 0 249.310 2.454 10 0 BEAERN CON(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000190151710 385217250 /nfs/dbraw/zinc/21/72/50/385217250.db2.gz UIERTJQLGHNNEQ-GWCFXTLKSA-N 0 0 248.326 2.431 10 0 BEAERN O=C1NCc2ccccc2[C@@H]1c1ccccc1 ZINC000166133494 385223282 /nfs/dbraw/zinc/22/32/82/385223282.db2.gz QULXRJIVGBFJNI-AWEZNQCLSA-N 0 0 223.275 2.448 10 0 BEAERN CCc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000152943673 385225938 /nfs/dbraw/zinc/22/59/38/385225938.db2.gz CPAVNYPGWSMLMJ-VXGBXAGGSA-N 0 0 247.338 2.498 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190281405 385226611 /nfs/dbraw/zinc/22/66/11/385226611.db2.gz IJGDKXHARQZZPY-WQAKAFBOSA-N 0 0 245.322 2.337 10 0 BEAERN CCCC[C@H](C)C(=O)N1CC[C@@H](CCO)C1 ZINC000301005935 385229258 /nfs/dbraw/zinc/22/92/58/385229258.db2.gz YWXXHPKMGOXKCV-RYUDHWBXSA-N 0 0 227.348 2.044 10 0 BEAERN CC(C)[N@H+](C)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062750816 385232064 /nfs/dbraw/zinc/23/20/64/385232064.db2.gz XNYDSZGEYMVJQM-QWRGUYRKSA-N 0 0 213.321 2.360 10 0 BEAERN C[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751204 385257272 /nfs/dbraw/zinc/25/72/72/385257272.db2.gz ZWBDSPFRBFJPPP-WDEREUQCSA-N 0 0 211.305 2.114 10 0 BEAERN NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC000238569797 385255749 /nfs/dbraw/zinc/25/57/49/385255749.db2.gz OODXUMJWUPFMTD-RNJOBUHISA-N 0 0 215.296 2.302 10 0 BEAERN Cc1ccc(OCCC(N)=S)cc1C ZINC000005592776 385204617 /nfs/dbraw/zinc/20/46/17/385204617.db2.gz UIIPPKKBBQGYBN-UHFFFAOYSA-N 0 0 209.314 2.358 10 0 BEAERN CC[C@@H](C)CN(CC)C(=O)[C@H](C)COC ZINC000177983903 385313132 /nfs/dbraw/zinc/31/31/32/385313132.db2.gz JFTKLYNVRFDKFF-GHMZBOCLSA-N 0 0 215.337 2.164 10 0 BEAERN Nc1cc(C(F)F)c(Br)cn1 ZINC000238619233 385260679 /nfs/dbraw/zinc/26/06/79/385260679.db2.gz NBCWAKGCURZVDC-UHFFFAOYSA-N 0 0 223.020 2.364 10 0 BEAERN CC[C@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000130803957 385284090 /nfs/dbraw/zinc/28/40/90/385284090.db2.gz JTRLMLILBAVQPT-NEPJUHHUSA-N 0 0 232.327 2.444 10 0 BEAERN CCc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1 ZINC000130774397 385285788 /nfs/dbraw/zinc/28/57/88/385285788.db2.gz FVURLPFYBNINGF-RYUDHWBXSA-N 0 0 247.338 2.498 10 0 BEAERN CC(=O)c1c[nH]c2c1c1ccccc1[nH]c2=O ZINC000034604629 385287566 /nfs/dbraw/zinc/28/75/66/385287566.db2.gz GFIARCPGAYMZNU-UHFFFAOYSA-N 0 0 226.235 2.212 10 0 BEAERN N#Cc1cc(CO)c(OC(F)(F)F)cc1F ZINC000575647447 385288708 /nfs/dbraw/zinc/28/87/08/385288708.db2.gz LSYPJFALUBSZMP-UHFFFAOYSA-N 0 0 235.136 2.088 10 0 BEAERN F[C@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000409423557 385331494 /nfs/dbraw/zinc/33/14/94/385331494.db2.gz PAVNFRILGZPFCH-ZETCQYMHSA-N 0 0 215.659 2.068 10 0 BEAERN F[C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000409423555 385331526 /nfs/dbraw/zinc/33/15/26/385331526.db2.gz PAVNFRILGZPFCH-SSDOTTSWSA-N 0 0 215.659 2.068 10 0 BEAERN CCC1(CNC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000178203988 385343433 /nfs/dbraw/zinc/34/34/33/385343433.db2.gz KXYAONCAOUODIY-LLVKDONJSA-N 0 0 247.342 2.067 10 0 BEAERN Cc1noc([C@@H]2CCN(c3cc(C)ccn3)C2)n1 ZINC000408455923 385344938 /nfs/dbraw/zinc/34/49/38/385344938.db2.gz FQWHURDZYHRKDX-LLVKDONJSA-N 0 0 244.298 2.075 10 0 BEAERN CCCc1cc(NC(=O)C2CCC2)n[nH]1 ZINC000109912810 385354064 /nfs/dbraw/zinc/35/40/64/385354064.db2.gz JMKFEKFRWGRZIN-UHFFFAOYSA-N 0 0 207.277 2.101 10 0 BEAERN CC[C@H](N[C@H](C)c1ccc(C)o1)C(=O)OC ZINC000168270475 385358315 /nfs/dbraw/zinc/35/83/15/385358315.db2.gz PNEFPYKRXNATIY-ZJUUUORDSA-N 0 0 225.288 2.190 10 0 BEAERN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2C)on1 ZINC000408017101 385411323 /nfs/dbraw/zinc/41/13/23/385411323.db2.gz KYFOCISSJRUBMT-MIMYLULJSA-N 0 0 249.314 2.238 10 0 BEAERN Cn1ccnc1[C@@H](N)c1ccc(Cl)s1 ZINC000051173284 385445437 /nfs/dbraw/zinc/44/54/37/385445437.db2.gz XTFFJRZIVCPLCF-QMMMGPOBSA-N 0 0 227.720 2.183 10 0 BEAERN Cc1ccc(OCCNC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000170808956 385447449 /nfs/dbraw/zinc/44/74/49/385447449.db2.gz NVEFFDKEQNLLDK-WCQYABFASA-N 0 0 248.326 2.081 10 0 BEAERN C[C@H](C(=O)N[C@H]1C[C@H]1C)n1cnc2ccccc21 ZINC000170807409 385448147 /nfs/dbraw/zinc/44/81/47/385448147.db2.gz PXVGKWMDQXYIOR-FOGDFJRCSA-N 0 0 243.310 2.122 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2ccco2)on1 ZINC000171055465 385466100 /nfs/dbraw/zinc/46/61/00/385466100.db2.gz PLDRVKQLFIHDTO-SFYZADRCSA-N 0 0 232.239 2.073 10 0 BEAERN CCC[C@@H]1C[C@H]1Nc1nnc(COC)s1 ZINC000309212701 385481909 /nfs/dbraw/zinc/48/19/09/385481909.db2.gz TUPCKLPRMGYWLT-HTQZYQBOSA-N 0 0 227.333 2.285 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nnc(COC)s1 ZINC000309212702 385482323 /nfs/dbraw/zinc/48/23/23/385482323.db2.gz TUPCKLPRMGYWLT-JGVFFNPUSA-N 0 0 227.333 2.285 10 0 BEAERN Cc1nc(Cl)cc(N(C)C[C@H]2CCCO2)n1 ZINC000052836545 385498520 /nfs/dbraw/zinc/49/85/20/385498520.db2.gz KJBIAQJFIPFXAF-SECBINFHSA-N 0 0 241.722 2.054 10 0 BEAERN CCCN(C[C@@H]1CCCCO1)C(=O)NC(C)C ZINC000106511603 385513804 /nfs/dbraw/zinc/51/38/04/385513804.db2.gz CTBUZIYPMDBMNQ-LBPRGKRZSA-N 0 0 242.363 2.386 10 0 BEAERN Nc1nc(-c2ccc(Cl)s2)no1 ZINC000258108218 385538820 /nfs/dbraw/zinc/53/88/20/385538820.db2.gz SMIKSQYTIOXCEB-UHFFFAOYSA-N 0 0 201.638 2.034 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCC2CCC(C)CC2)O1 ZINC000150792252 134454524 /nfs/dbraw/zinc/45/45/24/134454524.db2.gz ROCNQLJFXJUYOC-KPFVRQRISA-N 0 0 239.359 2.496 10 0 BEAERN COC(=O)c1ccccc1C(=O)C1CCC1 ZINC000258192007 385553529 /nfs/dbraw/zinc/55/35/29/385553529.db2.gz CXFBCVIINGDCEQ-UHFFFAOYSA-N 0 0 218.252 2.456 10 0 BEAERN CO[C@H](C)CCC(=O)N[C@@H]1COc2ccccc21 ZINC000181257772 385568595 /nfs/dbraw/zinc/56/85/95/385568595.db2.gz QMUUWCZRTNSHQA-ZYHUDNBSSA-N 0 0 249.310 2.051 10 0 BEAERN COC(=O)c1cc(OC)cc(C)c1Cl ZINC000259881884 385589967 /nfs/dbraw/zinc/58/99/67/385589967.db2.gz CIBITMFOPXBUNX-UHFFFAOYSA-N 0 0 214.648 2.444 10 0 BEAERN CCc1cccc(CC(=O)N[C@H](C)CCOC)c1 ZINC000121324613 385627114 /nfs/dbraw/zinc/62/71/14/385627114.db2.gz RMMQOCIZRKVLBQ-GFCCVEGCSA-N 0 0 249.354 2.333 10 0 BEAERN CC[C@H](C)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197702 385608436 /nfs/dbraw/zinc/60/84/36/385608436.db2.gz JLZYPWPULJMKOW-UWVGGRQHSA-N 0 0 238.335 2.083 10 0 BEAERN C[C@@H](Nc1ncccc1F)[C@@H]1CCCO1 ZINC000054700591 385643466 /nfs/dbraw/zinc/64/34/66/385643466.db2.gz FGIJJRHMHGHPPL-SCZZXKLOSA-N 0 0 210.252 2.200 10 0 BEAERN CCOC(=O)c1cc(F)cc(OC)c1C ZINC000260029313 385651564 /nfs/dbraw/zinc/65/15/64/385651564.db2.gz KMZGOXCWBACGHH-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN CSCCC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000118295585 385654607 /nfs/dbraw/zinc/65/46/07/385654607.db2.gz LUQYVFUHJKLVNR-IUCAKERBSA-N 0 0 233.402 2.092 10 0 BEAERN CSCCC(=O)N1CCS[C@H](C)[C@H]1C ZINC000118295587 385655220 /nfs/dbraw/zinc/65/52/20/385655220.db2.gz LUQYVFUHJKLVNR-RKDXNWHRSA-N 0 0 233.402 2.092 10 0 BEAERN COn1c2cc(N)ccc2nc1-c1ccccc1 ZINC000253570091 385684609 /nfs/dbraw/zinc/68/46/09/385684609.db2.gz NDQGNTWQBGLWIN-UHFFFAOYSA-N 0 0 239.278 2.344 10 0 BEAERN CCOc1nc2cc(N)c(OC)cc2s1 ZINC000211672332 385688043 /nfs/dbraw/zinc/68/80/43/385688043.db2.gz HWLZQIVKJFNYFE-UHFFFAOYSA-N 0 0 224.285 2.286 10 0 BEAERN COC(=O)Cc1c(F)c(F)cc(Cl)c1F ZINC000260128482 385689286 /nfs/dbraw/zinc/68/92/86/385689286.db2.gz BUBFGHKIPANEBO-UHFFFAOYSA-N 0 0 238.592 2.473 10 0 BEAERN Cc1coc(SC[C@@H](O)C(C)(C)C)n1 ZINC000336685930 385697474 /nfs/dbraw/zinc/69/74/74/385697474.db2.gz LIFYGOVCUFGJOP-MRVPVSSYSA-N 0 0 215.318 2.482 10 0 BEAERN O=C([O-])[C@H]1C[NH2+][C@@H](CC2CC2)C12CCCCC2 ZINC000211933912 385700819 /nfs/dbraw/zinc/70/08/19/385700819.db2.gz RHBXCFNALCPLHO-NEPJUHHUSA-N 0 0 237.343 2.410 10 0 BEAERN Nc1cnc2oc(-c3ccccc3)nc2c1 ZINC000071485539 385730429 /nfs/dbraw/zinc/73/04/29/385730429.db2.gz KCRQKKHGNVTEJM-UHFFFAOYSA-N 0 0 211.224 2.472 10 0 BEAERN Cn1c(COc2ccccc2)nnc1C1CC1 ZINC000183234180 385744327 /nfs/dbraw/zinc/74/43/27/385744327.db2.gz WGMMPKPLBZYZOS-UHFFFAOYSA-N 0 0 229.283 2.272 10 0 BEAERN FC(F)(F)c1c[nH]c(NCc2ccco2)n1 ZINC000336699796 385758825 /nfs/dbraw/zinc/75/88/25/385758825.db2.gz NASFFWKZUWRELZ-UHFFFAOYSA-N 0 0 231.177 2.056 10 0 BEAERN Cc1ccc([C@@H]2C=CS(=O)(=O)C2)c(C)c1 ZINC000040173768 385765484 /nfs/dbraw/zinc/76/54/84/385765484.db2.gz XERFMZZZNMSPLS-LLVKDONJSA-N 0 0 222.309 2.329 10 0 BEAERN Cc1cnc([C@@H](C)N[C@H](C)COC(C)C)o1 ZINC000336737474 385768766 /nfs/dbraw/zinc/76/87/66/385768766.db2.gz JKUVPPAHKFYRJL-MWLCHTKSSA-N 0 0 226.320 2.447 10 0 BEAERN CCOC(=O)c1cc(C)c(OC)cc1F ZINC000260226240 385780874 /nfs/dbraw/zinc/78/08/74/385780874.db2.gz XBEXAYBKHKQUFP-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ncc(Br)cc1N ZINC000052274542 385719996 /nfs/dbraw/zinc/71/99/96/385719996.db2.gz DAIQWRLYOHCXFD-XRGYYRRGSA-N 0 0 242.120 2.247 10 0 BEAERN COC(=O)c1ccnc2cc(C)ccc21 ZINC000261261919 385807762 /nfs/dbraw/zinc/80/77/62/385807762.db2.gz LDSKEWABQIBCSK-UHFFFAOYSA-N 0 0 201.225 2.330 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1cc(C)nc2ncnn21 ZINC000231663423 385812078 /nfs/dbraw/zinc/81/20/78/385812078.db2.gz MPRVVEILDIVAOO-ZJUUUORDSA-N 0 0 231.303 2.033 10 0 BEAERN CC(C)c1nccnc1N[C@H]1CCO[C@@H](C)C1 ZINC000413220841 385832407 /nfs/dbraw/zinc/83/24/07/385832407.db2.gz QPLXXQYENCTMQG-QWRGUYRKSA-N 0 0 235.331 2.001 10 0 BEAERN COC(=O)[C@@H](C)c1cc(F)c(F)cc1F ZINC000260332009 385832839 /nfs/dbraw/zinc/83/28/39/385832839.db2.gz YZNNYRSENHVEFX-YFKPBYRVSA-N 0 0 218.174 2.380 10 0 BEAERN COC(=O)[C@H](C)c1cc(F)c(F)cc1F ZINC000260332006 385833081 /nfs/dbraw/zinc/83/30/81/385833081.db2.gz YZNNYRSENHVEFX-RXMQYKEDSA-N 0 0 218.174 2.380 10 0 BEAERN CCOC(=O)c1c(OC)cc(F)cc1OC ZINC000260335062 385833202 /nfs/dbraw/zinc/83/32/02/385833202.db2.gz ZJMMZUOYUSYSQC-UHFFFAOYSA-N 0 0 228.219 2.020 10 0 BEAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 ZINC000112670865 385842040 /nfs/dbraw/zinc/84/20/40/385842040.db2.gz WAKIRYCUPWDYAE-NWDGAFQWSA-N 0 0 235.331 2.354 10 0 BEAERN CCOC(=O)Cc1cc(OC)cc(OC)c1C ZINC000260528245 385898746 /nfs/dbraw/zinc/89/87/46/385898746.db2.gz WEEVNROFBJXZAZ-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN C[C@H](NC(=O)NC1CCC1)C1CCCC1 ZINC000123640001 385899284 /nfs/dbraw/zinc/89/92/84/385899284.db2.gz KQYHFMOJXBLJSH-VIFPVBQESA-N 0 0 210.321 2.417 10 0 BEAERN CCOC(=O)Cc1cc(OC)c(Cl)cc1O ZINC000260548989 385902189 /nfs/dbraw/zinc/90/21/89/385902189.db2.gz XMFMDRWWNMKADZ-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN CC[C@H](Nc1cn(C)nc1OC)C(C)C ZINC000336725991 385869561 /nfs/dbraw/zinc/86/95/61/385869561.db2.gz GPDJABPWNJOZAG-VIFPVBQESA-N 0 0 211.309 2.275 10 0 BEAERN Clc1cccc2c1CCN2[C@H]1CCOC1 ZINC000334804118 385954421 /nfs/dbraw/zinc/95/44/21/385954421.db2.gz XYJGYQULBGWRDX-VIFPVBQESA-N 0 0 223.703 2.491 10 0 BEAERN COC(=O)c1cccc(O)c1C(F)(F)F ZINC000220045422 385955587 /nfs/dbraw/zinc/95/55/87/385955587.db2.gz UFOLGFDPMIYHML-UHFFFAOYSA-N 0 0 220.146 2.198 10 0 BEAERN Clc1nccc(NCc2nccs2)n1 ZINC000051849940 385957309 /nfs/dbraw/zinc/95/73/09/385957309.db2.gz YANJVPWIIMZDMU-UHFFFAOYSA-N 0 0 226.692 2.199 10 0 BEAERN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)[C@H]1C[C@H]1C ZINC000414095493 385959849 /nfs/dbraw/zinc/95/98/49/385959849.db2.gz PUBDVXLTIBKIAV-ZNSHCXBVSA-N 0 0 227.348 2.351 10 0 BEAERN CCOC(=O)Cc1cc(Cl)c(F)cc1O ZINC000261040450 386005148 /nfs/dbraw/zinc/00/51/48/386005148.db2.gz HQHCZMJRYYUUTQ-UHFFFAOYSA-N 0 0 232.638 2.290 10 0 BEAERN CCOC(=O)c1cc(OC)c(F)cc1C ZINC000261123956 386007889 /nfs/dbraw/zinc/00/78/89/386007889.db2.gz JKEZKEKOQHKWRI-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN CCOC(=O)CC[C@H](F)C(F)(F)F ZINC000261158174 386009080 /nfs/dbraw/zinc/00/90/80/386009080.db2.gz VDMQKVJYSCKAMJ-YFKPBYRVSA-N 0 0 202.147 2.230 10 0 BEAERN CCOC(=O)CCc1[nH]nc2ccc(C)cc21 ZINC000261199942 386012685 /nfs/dbraw/zinc/01/26/85/386012685.db2.gz XNIKVZYXFNQUOI-UHFFFAOYSA-N 0 0 232.283 2.367 10 0 BEAERN CCOC(=O)Cc1cc(OC)cc(Cl)c1O ZINC000261231753 386014528 /nfs/dbraw/zinc/01/45/28/386014528.db2.gz TUHDYNZWDHQQDE-UHFFFAOYSA-N 0 0 244.674 2.160 10 0 BEAERN Cc1nc(C)c(F)c(NC2CC(C)C2)n1 ZINC000336770392 386015197 /nfs/dbraw/zinc/01/51/97/386015197.db2.gz WQBWZOGLAIKFPO-UHFFFAOYSA-N 0 0 209.268 2.443 10 0 BEAERN Cc1nc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(C)s1 ZINC000334454045 386102189 /nfs/dbraw/zinc/10/21/89/386102189.db2.gz DXMMMIVSDKLVOZ-UWVGGRQHSA-N 0 0 236.340 2.384 10 0 BEAERN CSCC(=O)Nc1ccc(Cl)cc1N ZINC000038063553 386118227 /nfs/dbraw/zinc/11/82/27/386118227.db2.gz PGIRQZHVQRQLCQ-UHFFFAOYSA-N 0 0 230.720 2.224 10 0 BEAERN Cn1cccc1C(=O)CN1C[C@H]2CCCCC[C@@H]21 ZINC000366100293 386081258 /nfs/dbraw/zinc/08/12/58/386081258.db2.gz YEECOEKJVDVLDL-OLZOCXBDSA-N 0 0 246.354 2.472 10 0 BEAERN C[C@H](CO)[C@H](C)Nc1ccncc1Cl ZINC000129612375 386093975 /nfs/dbraw/zinc/09/39/75/386093975.db2.gz HHCDLYCCAYLMRC-SFYZADRCSA-N 0 0 214.696 2.164 10 0 BEAERN CNc1ccc(Cl)cc1C(N)=S ZINC000052857268 386145505 /nfs/dbraw/zinc/14/55/05/386145505.db2.gz OWBCVLWACFMJIB-UHFFFAOYSA-N 0 0 200.694 2.016 10 0 BEAERN Cc1csc([C@@H](O)c2cc(C)ns2)n1 ZINC000307183817 386154631 /nfs/dbraw/zinc/15/46/31/386154631.db2.gz AAJAEPYMWRAVHL-QMMMGPOBSA-N 0 0 226.326 2.298 10 0 BEAERN CC[C@]1(O)CCCN1C(=O)OC(C)(C)C ZINC000077285112 386163902 /nfs/dbraw/zinc/16/39/02/386163902.db2.gz FYEUTXJZYOSEHS-NSHDSACASA-N 0 0 215.293 2.116 10 0 in-vitro BEAERN CCOC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000106931638 386208738 /nfs/dbraw/zinc/20/87/38/386208738.db2.gz PJGRLHKICHVEIJ-VXGBXAGGSA-N 0 0 220.268 2.362 10 0 BEAERN Clc1cncc([C@H]2NCCCS2)c1 ZINC000575579758 386220324 /nfs/dbraw/zinc/22/03/24/386220324.db2.gz ZJGAARANLZRSQA-VIFPVBQESA-N 0 0 214.721 2.460 10 0 BEAERN Fc1cccc(COC[C@@H]2CCCO2)c1 ZINC000575191267 386303030 /nfs/dbraw/zinc/30/30/30/386303030.db2.gz WFHBGSZVFFAYOE-LBPRGKRZSA-N 0 0 209.240 2.335 10 0 BEAERN CC(C)N1C[C@@H](c2nc[nH]n2)Nc2ccccc21 ZINC000616681609 386264065 /nfs/dbraw/zinc/26/40/65/386264065.db2.gz RDYLPQNWEJMGPF-NSHDSACASA-N 0 0 243.314 2.186 10 0 BEAERN CN(C(=O)N1C[C@H]2CCC[C@H]21)C1CCCC1 ZINC000335270897 386358533 /nfs/dbraw/zinc/35/85/33/386358533.db2.gz XQPQZDALNHVHEJ-ZYHUDNBSSA-N 0 0 222.332 2.465 10 0 BEAERN Cc1ccc([C@@H]2CCCN2C(=O)N(C)C)o1 ZINC000265346156 386329335 /nfs/dbraw/zinc/32/93/35/386329335.db2.gz JKNIHJCXWADZOT-JTQLQIEISA-N 0 0 222.288 2.407 10 0 BEAERN CCn1c2ccccc2nc1[S@@](C)(=O)=NC ZINC000521399638 386437970 /nfs/dbraw/zinc/43/79/70/386437970.db2.gz AJZPASUTBRARIG-MRXNPFEDSA-N 0 0 237.328 2.143 10 0 BEAERN Cc1cnn(CCNc2cccc(C)n2)c1 ZINC000226999342 386444725 /nfs/dbraw/zinc/44/47/25/386444725.db2.gz FRNFHQUARSRQET-UHFFFAOYSA-N 0 0 216.288 2.007 10 0 BEAERN C[C@@H]1CC[C@]1(O)c1cccnc1Br ZINC000575597983 386388497 /nfs/dbraw/zinc/38/84/97/386388497.db2.gz VFBXAMYJYOUTTI-GMSGAONNSA-N 0 0 242.116 2.462 10 0 BEAERN C[C@H]1CC[C@]1(O)c1cccnc1Br ZINC000575597984 386388586 /nfs/dbraw/zinc/38/85/86/386388586.db2.gz VFBXAMYJYOUTTI-OIBJUYFYSA-N 0 0 242.116 2.462 10 0 BEAERN CCc1nc(C)c(Br)c(F)n1 ZINC000575600009 386403430 /nfs/dbraw/zinc/40/34/30/386403430.db2.gz BUKWQNOZPYHYEM-UHFFFAOYSA-N 0 0 219.057 2.249 10 0 BEAERN CC1CCC(C[NH2+]CCSCC(=O)[O-])CC1 ZINC000417624127 386472681 /nfs/dbraw/zinc/47/26/81/386472681.db2.gz PZONOAZWJMWXOB-UHFFFAOYSA-N 0 0 245.388 2.220 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000399284417 386480114 /nfs/dbraw/zinc/48/01/14/386480114.db2.gz ZOTFWCXVZFLEKN-CMPLNLGQSA-N 0 0 234.299 2.064 10 0 BEAERN CC(=O)c1cc(Br)c(F)cc1N ZINC000299889633 386497869 /nfs/dbraw/zinc/49/78/69/386497869.db2.gz MCKAIVUMHVLUIO-UHFFFAOYSA-N 0 0 232.052 2.373 10 0 BEAERN C[C@H]1CC[C@H](O)CN1c1ncnc2sccc21 ZINC000399319911 386500730 /nfs/dbraw/zinc/50/07/30/386500730.db2.gz HWHAKLUZXAOGAA-IUCAKERBSA-N 0 0 249.339 2.041 10 0 BEAERN c1sc(NC2CC2)nc1[C@H]1CCOC1 ZINC000122650430 386506940 /nfs/dbraw/zinc/50/69/40/386506940.db2.gz GMIOECDCZWPQML-ZETCQYMHSA-N 0 0 210.302 2.221 10 0 BEAERN Cc1nc(C)c(F)c(N2C[C@H]3CCC[C@@H]32)n1 ZINC000335443801 386507254 /nfs/dbraw/zinc/50/72/54/386507254.db2.gz CBLSEIDWCRNRQO-ZJUUUORDSA-N 0 0 221.279 2.221 10 0 BEAERN Cc1occc1-c1noc(C[C@@H](O)C(C)C)n1 ZINC000165704708 386510478 /nfs/dbraw/zinc/51/04/78/386510478.db2.gz WYDDGCJMKQXPBN-SNVBAGLBSA-N 0 0 236.271 2.197 10 0 BEAERN CC[C@H]1CC[C@@H]1Nc1cn(C)nc1OC ZINC000336754957 386526219 /nfs/dbraw/zinc/52/62/19/386526219.db2.gz HUVJWWXZYMDYGI-IUCAKERBSA-N 0 0 209.293 2.029 10 0 BEAERN C[C@H](CC(=O)[O-])C[C@H]([NH3+])C1CCCCC1 ZINC000521401450 386458958 /nfs/dbraw/zinc/45/89/58/386458958.db2.gz HQBYJHOLQQFRCL-ONGXEEELSA-N 0 0 213.321 2.395 10 0 BEAERN COC(=O)Cc1cc(C(F)(F)F)cc(C)c1N ZINC000575641865 386575892 /nfs/dbraw/zinc/57/58/92/386575892.db2.gz YNMGPOQFORQCPV-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCC[C@H]1C[C@@H]1Nc1ccc2nnc(C)n2n1 ZINC000267746599 386582074 /nfs/dbraw/zinc/58/20/74/386582074.db2.gz XHQXEAPAPZWCRU-UWVGGRQHSA-N 0 0 231.303 2.033 10 0 BEAERN CCOc1cc(C#N)c(CC)c(C=O)c1 ZINC000575644888 386587593 /nfs/dbraw/zinc/58/75/93/386587593.db2.gz ZCJCYXJKHWVBQT-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CC[C@@H](NC(=O)c1cscn1)C(C)C ZINC000062663353 386590304 /nfs/dbraw/zinc/59/03/04/386590304.db2.gz LCRUXFBVPUNKMI-MRVPVSSYSA-N 0 0 212.318 2.308 10 0 BEAERN CN(c1cc(Cl)nc(Cl)n1)[C@H]1CCOC1 ZINC000306895540 386532783 /nfs/dbraw/zinc/53/27/83/386532783.db2.gz NAVFVAQKMGIAKA-LURJTMIESA-N 0 0 248.113 2.009 10 0 BEAERN CC(C)CC(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000238871255 386539786 /nfs/dbraw/zinc/53/97/86/386539786.db2.gz MYRGBVJTGPPHES-LBPRGKRZSA-N 0 0 248.326 2.107 10 0 BEAERN Cc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000135903608 386550090 /nfs/dbraw/zinc/55/00/90/386550090.db2.gz KRGMMJKKZRSYBH-ZIAGYGMSSA-N 0 0 247.338 2.418 10 0 BEAERN CCOCCOc1nc2ccccc2cc1C=O ZINC000040176533 386562558 /nfs/dbraw/zinc/56/25/58/386562558.db2.gz BPTUPXFVEKJWNZ-UHFFFAOYSA-N 0 0 245.278 2.463 10 0 BEAERN COC(=O)c1cc(N)cc(C)c1C(F)(F)F ZINC000575640333 386566616 /nfs/dbraw/zinc/56/66/16/386566616.db2.gz LUEROEBVOADCPU-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC(=O)Cc1c(C)cc(C(F)(F)F)cc1N ZINC000575640804 386570193 /nfs/dbraw/zinc/57/01/93/386570193.db2.gz PELRLTYJQBAITA-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN Cc1cnc([C@H](C)NCCc2cscn2)o1 ZINC000336757473 386605154 /nfs/dbraw/zinc/60/51/54/386605154.db2.gz ZCHYPOIUUXSXCI-VIFPVBQESA-N 0 0 237.328 2.333 10 0 BEAERN CCOC(=O)c1c(N)cccc1OC(F)(F)F ZINC000575339123 386684989 /nfs/dbraw/zinc/68/49/89/386684989.db2.gz XUVBIOXOHMIIGL-UHFFFAOYSA-N 0 0 249.188 2.344 10 0 BEAERN Cc1cccc(OCc2ccn(C)n2)c1 ZINC000212108521 386700702 /nfs/dbraw/zinc/70/07/02/386700702.db2.gz MDZFDUOFHAMPBP-UHFFFAOYSA-N 0 0 202.257 2.308 10 0 BEAERN CCOC(=O)[C@H](C)Cc1cccc(OC)c1 ZINC000575448339 386702176 /nfs/dbraw/zinc/70/21/76/386702176.db2.gz XLYUYFMQMYWRMA-SNVBAGLBSA-N 0 0 222.284 2.437 10 0 BEAERN CCCCNC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000645097689 386713486 /nfs/dbraw/zinc/71/34/86/386713486.db2.gz MFGRGTYSFDBKER-HBNTYKKESA-N 0 0 210.321 2.274 10 0 BEAERN CCOC(=O)C1=C(O)C[C@@H](C(C)(C)C)C1 ZINC000325928395 386716230 /nfs/dbraw/zinc/71/62/30/386716230.db2.gz FRXDASMHSYVCHD-DTWKUNHWSA-N 0 0 212.289 2.191 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N1CC[C@@H](CCO)C1 ZINC000357147215 386725350 /nfs/dbraw/zinc/72/53/50/386725350.db2.gz NSOUQJDTWCSCBW-NEPJUHHUSA-N 0 0 241.375 2.290 10 0 BEAERN CC1(C)[C@@H](O)Cc2c(-c3ccccc3)cnn21 ZINC000575448812 386744853 /nfs/dbraw/zinc/74/48/53/386744853.db2.gz HYQGNMDNSPIVSZ-ZDUSSCGKSA-N 0 0 228.295 2.202 10 0 BEAERN O=C(C1=CCCCC1)N1C[C@@H]2CCC[C@H]21 ZINC000334156778 386754551 /nfs/dbraw/zinc/75/45/51/386754551.db2.gz ZMKHZSAEWZQUOK-NWDGAFQWSA-N 0 0 205.301 2.498 10 0 BEAERN CN(C)c1ncc(NC(=O)CC2CCCC2)cn1 ZINC000125037577 386754480 /nfs/dbraw/zinc/75/44/80/386754480.db2.gz UHDPJGACBJQNGI-UHFFFAOYSA-N 0 0 248.330 2.061 10 0 BEAERN CC(=O)OCC(=O)c1ccccc1OC(F)F ZINC000575361159 386760593 /nfs/dbraw/zinc/76/05/93/386760593.db2.gz RYBMODSIQWFQLG-UHFFFAOYSA-N 0 0 244.193 2.034 10 0 BEAERN CS[C@H](C)CCC(=O)N[C@@H]1C[C@@H]1C ZINC000336665025 386765437 /nfs/dbraw/zinc/76/54/37/386765437.db2.gz XLCSTMHYGBRVGF-DJLDLDEBSA-N 0 0 201.335 2.043 10 0 BEAERN CC(C)[C@@H]1OCC[C@@H]1CNc1ncc(F)cn1 ZINC000269463324 386796855 /nfs/dbraw/zinc/79/68/55/386796855.db2.gz HPCLTKSWUWRNBV-KOLCDFICSA-N 0 0 239.294 2.089 10 0 BEAERN COC(=O)Cc1ncc(OC(F)(F)F)cc1C ZINC000575375206 386799618 /nfs/dbraw/zinc/79/96/18/386799618.db2.gz YXGGVDKVHUANNP-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1c(C)nccc1OC(F)(F)F ZINC000575375204 386800168 /nfs/dbraw/zinc/80/01/68/386800168.db2.gz YOVFFNQMLIETPG-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN COC(=O)Cc1ccc(OC(F)(F)F)c(C)n1 ZINC000575374988 386800304 /nfs/dbraw/zinc/80/03/04/386800304.db2.gz FZRXKWJLYYJCPS-UHFFFAOYSA-N 0 0 249.188 2.004 10 0 BEAERN CCOC(=O)c1cc(C)nc(OC(F)(F)F)c1 ZINC000575375095 386800372 /nfs/dbraw/zinc/80/03/72/386800372.db2.gz NEGGKEVKTARCBO-UHFFFAOYSA-N 0 0 249.188 2.465 10 0 BEAERN FC1(F)CCc2nnc(Cl)cc2C1 ZINC000575451863 386807527 /nfs/dbraw/zinc/80/75/27/386807527.db2.gz PHUQBEXFDBCACQ-UHFFFAOYSA-N 0 0 204.607 2.254 10 0 BEAERN Cc1ccnc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 ZINC000301360618 386838120 /nfs/dbraw/zinc/83/81/20/386838120.db2.gz OPHAYNUVZFWISZ-QJPTWQEYSA-N 0 0 247.342 2.035 10 0 BEAERN Cn1[nH]c(C(C)(C)C(F)F)nc1=S ZINC000575454114 386841124 /nfs/dbraw/zinc/84/11/24/386841124.db2.gz GAANEDDRXKCRDT-UHFFFAOYSA-N 0 0 207.249 2.020 10 0 BEAERN CCCC1(C(=O)NC[C@@H](O)C(C)(C)C)CC1 ZINC000324302340 386844108 /nfs/dbraw/zinc/84/41/08/386844108.db2.gz DEJBRNRUJUQPKK-SNVBAGLBSA-N 0 0 227.348 2.090 10 0 BEAERN C[C@@H](Nc1nccc(N(C)C)n1)c1ccco1 ZINC000301737489 386872947 /nfs/dbraw/zinc/87/29/47/386872947.db2.gz RWDDQWOLLFNZHX-SECBINFHSA-N 0 0 232.287 2.309 10 0 BEAERN O=C(NC1CCCC1)N1C[C@@H]2CCC[C@H]21 ZINC000334834315 386874222 /nfs/dbraw/zinc/87/42/22/386874222.db2.gz MSOGYLFUVCKZDA-GXSJLCMTSA-N 0 0 208.305 2.123 10 0 BEAERN Cc1ccc([C@](C)(O)CNc2ncc(C)cn2)o1 ZINC000301820696 386881984 /nfs/dbraw/zinc/88/19/84/386881984.db2.gz BDMXBWODANVPMN-CYBMUJFWSA-N 0 0 247.298 2.006 10 0 BEAERN C[C@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)CCS1 ZINC000335760623 386898020 /nfs/dbraw/zinc/89/80/20/386898020.db2.gz HJOAXGVGNWJFJE-DTWKUNHWSA-N 0 0 249.326 2.386 10 0 BEAERN CCS(=O)(=O)c1ccc(N[C@@H]2C[C@H]2C)cc1 ZINC000052291026 386905463 /nfs/dbraw/zinc/90/54/63/386905463.db2.gz ZWDXEVHMVOKWFM-BXKDBHETSA-N 0 0 239.340 2.301 10 0 BEAERN O=C([C@@H]1CCCOC1)N1CCC[C@H]1c1ccco1 ZINC000116047250 386911467 /nfs/dbraw/zinc/91/14/67/386911467.db2.gz HYYCRKMKBHUIDE-NEPJUHHUSA-N 0 0 249.310 2.370 10 0 BEAERN CC(C)c1nsc(Oc2cnn(C)c2)n1 ZINC000302322569 386921420 /nfs/dbraw/zinc/92/14/20/386921420.db2.gz RRBQMKOCYDGXBW-UHFFFAOYSA-N 0 0 224.289 2.187 10 0 BEAERN Cn1ccnc1CN1CCC[C@@H]1c1ccco1 ZINC000116296324 386932197 /nfs/dbraw/zinc/93/21/97/386932197.db2.gz IQKDCTRKEJXTFA-LLVKDONJSA-N 0 0 231.299 2.350 10 0 BEAERN Cn1ccnc1CN1CCC[C@H]1c1ccco1 ZINC000116296327 386933448 /nfs/dbraw/zinc/93/34/48/386933448.db2.gz IQKDCTRKEJXTFA-NSHDSACASA-N 0 0 231.299 2.350 10 0 BEAERN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCCCC1 ZINC000648417558 386953881 /nfs/dbraw/zinc/95/38/81/386953881.db2.gz FYSSLLAGYDNFEC-RYUDHWBXSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@@]1(c2c(F)cccc2Cl)CC(=O)N1 ZINC000307633793 386960406 /nfs/dbraw/zinc/96/04/06/386960406.db2.gz OONMFKRQVSNQDN-JTQLQIEISA-N 0 0 213.639 2.214 10 0 BEAERN Fc1ccccc1COC[C@H]1CCCO1 ZINC000575191225 386977705 /nfs/dbraw/zinc/97/77/05/386977705.db2.gz SFNAYDCAFBNVMX-LLVKDONJSA-N 0 0 209.240 2.335 10 0 BEAERN Cc1cnn(CCNC(=O)Nc2ccccc2)c1 ZINC000117951696 387036025 /nfs/dbraw/zinc/03/60/25/387036025.db2.gz UZIILGSKDPRHOL-UHFFFAOYSA-N 0 0 244.298 2.013 10 0 BEAERN COC(=O)C[C@]1(C)C=Cc2cccc(OC)c2O1 ZINC000575423714 387037156 /nfs/dbraw/zinc/03/71/56/387037156.db2.gz ZQLWNDVQRKWCSP-AWEZNQCLSA-N 0 0 248.278 2.423 10 0 BEAERN CCOc1cc(OC)c(O)cc1OC(F)F ZINC000575655609 387038935 /nfs/dbraw/zinc/03/89/35/387038935.db2.gz FXAMRXHRBUQCMU-UHFFFAOYSA-N 0 0 234.198 2.401 10 0 BEAERN CCOc1cc(OC)cc(OC(F)F)c1CO ZINC000575655544 387040282 /nfs/dbraw/zinc/04/02/82/387040282.db2.gz AILATSUBTDKWHI-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCc1ccc(OC(F)F)c(CO)c1OC ZINC000575656776 387042138 /nfs/dbraw/zinc/04/21/38/387042138.db2.gz JYHQKBXLEQGAGS-UHFFFAOYSA-N 0 0 232.226 2.351 10 0 BEAERN Nc1cnc2c(-c3cccs3)cnn2c1 ZINC000259580760 387042223 /nfs/dbraw/zinc/04/22/23/387042223.db2.gz YQARZJRFQOGVPW-UHFFFAOYSA-N 0 0 216.269 2.040 10 0 BEAERN CCOc1c(F)ccc(OC(F)F)c1CO ZINC000575657354 387043634 /nfs/dbraw/zinc/04/36/34/387043634.db2.gz UXPLLDJNLVALLU-UHFFFAOYSA-N 0 0 236.189 2.318 10 0 BEAERN CCOc1c(O)c(C=O)ccc1OC(F)F ZINC000575657734 387044010 /nfs/dbraw/zinc/04/40/10/387044010.db2.gz VNLVRJZCJURAQF-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1c(O)cc(C=O)cc1OC(F)F ZINC000575657870 387044390 /nfs/dbraw/zinc/04/43/90/387044390.db2.gz WTTIXNIIBIFCJO-UHFFFAOYSA-N 0 0 232.182 2.205 10 0 BEAERN CCOc1cc(OC)c(CO)cc1OC(F)F ZINC000575658154 387045170 /nfs/dbraw/zinc/04/51/70/387045170.db2.gz QGUFPXVNWJQZPZ-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN c1cnc(N[C@@H]2COc3ccccc32)nc1 ZINC000070191485 387045480 /nfs/dbraw/zinc/04/54/80/387045480.db2.gz BLXHBZUYIWEZHB-SNVBAGLBSA-N 0 0 213.240 2.022 10 0 BEAERN Cc1nc(N[C@H](C)CF)ncc1Br ZINC000575579044 387045469 /nfs/dbraw/zinc/04/54/69/387045469.db2.gz JSGSTMQKEQWUDR-RXMQYKEDSA-N 0 0 248.099 2.317 10 0 BEAERN CCOc1c(OC(F)F)ccc(CO)c1OC ZINC000575658119 387046418 /nfs/dbraw/zinc/04/64/18/387046418.db2.gz PWMOEQCAZTWZEW-UHFFFAOYSA-N 0 0 248.225 2.188 10 0 BEAERN CCOc1ccc(CO)c(OC(F)F)c1C ZINC000575658911 387047554 /nfs/dbraw/zinc/04/75/54/387047554.db2.gz WVKZICVBGFKRAN-UHFFFAOYSA-N 0 0 232.226 2.487 10 0 BEAERN COc1c(C=O)c(F)ccc1OC(F)F ZINC000575659216 387049925 /nfs/dbraw/zinc/04/99/25/387049925.db2.gz FHXDDKWIXNNBPF-UHFFFAOYSA-N 0 0 220.146 2.248 10 0 BEAERN COc1cc(C(C)=O)cc(OC(F)F)c1C=O ZINC000575660974 387051113 /nfs/dbraw/zinc/05/11/13/387051113.db2.gz CSOCYKNVSLEVAY-UHFFFAOYSA-N 0 0 244.193 2.312 10 0 BEAERN Cc1cc(OC(F)F)c(F)cc1CO ZINC000575661352 387060053 /nfs/dbraw/zinc/06/00/53/387060053.db2.gz MIGIWCBOQLSRTF-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN CN(C[C@@H]1CCCCO1)c1ccnc(C2CC2)n1 ZINC000110260355 387060648 /nfs/dbraw/zinc/06/06/48/387060648.db2.gz APMCVIJBOJCRIN-LBPRGKRZSA-N 0 0 247.342 2.359 10 0 BEAERN Cc1cc(CO)c(F)c(OC(F)F)c1 ZINC000575661131 387063392 /nfs/dbraw/zinc/06/33/92/387063392.db2.gz JTXYCLOODILPNR-UHFFFAOYSA-N 0 0 206.163 2.228 10 0 BEAERN Clc1nsnc1NCc1ccsn1 ZINC000575458233 387024700 /nfs/dbraw/zinc/02/47/00/387024700.db2.gz IALBFWJXIRYVAH-UHFFFAOYSA-N 0 0 232.721 2.260 10 0 BEAERN CC(C)N(C)C(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117591625 387024958 /nfs/dbraw/zinc/02/49/58/387024958.db2.gz SUWQQSAUGUTCNN-GWCFXTLKSA-N 0 0 233.311 2.418 10 0 BEAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)C1CC1 ZINC000117631682 387025273 /nfs/dbraw/zinc/02/52/73/387025273.db2.gz DZELJLMHAPPMJE-ZANVPECISA-N 0 0 231.295 2.172 10 0 BEAERN C[C@@H]1C[C@]1(C)Nc1ncncc1Br ZINC000575577118 387026980 /nfs/dbraw/zinc/02/69/80/387026980.db2.gz BTTOOMFQJILLCM-MUWHJKNJSA-N 0 0 242.120 2.450 10 0 BEAERN Clc1nsnc1N[C@H]1C=CCC1 ZINC000575469235 387089441 /nfs/dbraw/zinc/08/94/41/387089441.db2.gz XZPDANXGBZVBAC-YFKPBYRVSA-N 0 0 201.682 2.322 10 0 BEAERN COC(=O)[C@@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000193102705 387090170 /nfs/dbraw/zinc/09/01/70/387090170.db2.gz ZVOQJRIHLGLKNK-MXWKQRLJSA-N 0 0 227.348 2.352 10 0 BEAERN CCc1nc(C)cc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000645381833 387096473 /nfs/dbraw/zinc/09/64/73/387096473.db2.gz DAQLXDHAHINDFV-QJPTWQEYSA-N 0 0 231.343 2.370 10 0 BEAERN C[C@@H](CO)[C@H](C)Nc1nc2ccccc2n1C ZINC000127231593 387099277 /nfs/dbraw/zinc/09/92/77/387099277.db2.gz XHJHMXOLRUWIDE-UWVGGRQHSA-N 0 0 233.315 2.002 10 0 BEAERN Clc1nsc(-c2ccsn2)n1 ZINC000575472362 387102754 /nfs/dbraw/zinc/10/27/54/387102754.db2.gz BSYWOYPASHZFCX-UHFFFAOYSA-N 0 0 203.679 2.315 10 0 BEAERN CC(=O)c1cc(O)cc(C=O)c1OC(F)F ZINC000575661823 387104240 /nfs/dbraw/zinc/10/42/40/387104240.db2.gz RKCQIXHIWYHYSM-UHFFFAOYSA-N 0 0 230.166 2.009 10 0 BEAERN CC(C)(C)c1cccc2c1C(=O)C(=O)N2 ZINC000575436924 387105034 /nfs/dbraw/zinc/10/50/34/387105034.db2.gz XGLAUYQUKQKJKE-UHFFFAOYSA-N 0 0 203.241 2.119 10 0 BEAERN CCOCCNC(=O)N1CCCCC[C@@H]1CC ZINC000119182164 387105196 /nfs/dbraw/zinc/10/51/96/387105196.db2.gz KTIFQCOJWADWJB-LBPRGKRZSA-N 0 0 242.363 2.387 10 0 BEAERN O[C@@H]1CC[C@H]1Nc1ccccc1Br ZINC000575471058 387105926 /nfs/dbraw/zinc/10/59/26/387105926.db2.gz QVALRFCVYKYWAD-NXEZZACHSA-N 0 0 242.116 2.384 10 0 BEAERN OCc1nccc2cc(Br)ccc21 ZINC000575436685 387117484 /nfs/dbraw/zinc/11/74/84/387117484.db2.gz PKSBDQZSZMBFSW-UHFFFAOYSA-N 0 0 238.084 2.490 10 0 BEAERN CCS[C@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C ZINC000072094900 387123448 /nfs/dbraw/zinc/12/34/48/387123448.db2.gz QTOGWZXTYNQHEH-AEJSXWLSSA-N 0 0 215.362 2.289 10 0 BEAERN CCS[C@H](C(=O)N[C@H]1C[C@@H]1C)C(C)C ZINC000072094902 387123531 /nfs/dbraw/zinc/12/35/31/387123531.db2.gz QTOGWZXTYNQHEH-GUBZILKMSA-N 0 0 215.362 2.289 10 0 BEAERN Cc1ccnc(N[C@H]2COc3ccccc32)n1 ZINC000070530218 387068329 /nfs/dbraw/zinc/06/83/29/387068329.db2.gz ZKWFQVFPFVNAGE-NSHDSACASA-N 0 0 227.267 2.331 10 0 BEAERN COC(=O)[C@@H](CC(C)C)n1cccc1C=O ZINC000043437041 387151942 /nfs/dbraw/zinc/15/19/42/387151942.db2.gz WKNDIVOAKRQKED-LLVKDONJSA-N 0 0 223.272 2.061 10 0 BEAERN Cc1nc(CNCc2ccoc2)cs1 ZINC000057998260 387153676 /nfs/dbraw/zinc/15/36/76/387153676.db2.gz UOJJLFBWGOCQHE-UHFFFAOYSA-N 0 0 208.286 2.334 10 0 BEAERN C[C@@H](CO)Nc1cccc(F)c1Cl ZINC000575478240 387160596 /nfs/dbraw/zinc/16/05/96/387160596.db2.gz OYVUNITTXIAZDM-LURJTMIESA-N 0 0 203.644 2.272 10 0 BEAERN C[C@@]1(O)CCC[C@H]1SC1CCOCC1 ZINC000306202665 387160900 /nfs/dbraw/zinc/16/09/00/387160900.db2.gz XCYOFXAHEDBFEW-GHMZBOCLSA-N 0 0 216.346 2.202 10 0 BEAERN CC1(C)Cc2nc(-c3ccccc3)cc(=O)n2C1 ZINC000536950802 387162246 /nfs/dbraw/zinc/16/22/46/387162246.db2.gz KESNHGGLPYJVBM-UHFFFAOYSA-N 0 0 240.306 2.493 10 0 BEAERN O=C1NC[C@@H](c2ccccc2F)C12CCC2 ZINC000536951463 387163535 /nfs/dbraw/zinc/16/35/35/387163535.db2.gz RAAQVTMCNRWXHR-JTQLQIEISA-N 0 0 219.259 2.209 10 0 BEAERN CCCc1cc(=O)n2c(n1)CCC[C@H]2C ZINC000536951578 387163968 /nfs/dbraw/zinc/16/39/68/387163968.db2.gz STFYUEWZGTWQHY-SECBINFHSA-N 0 0 206.289 2.093 10 0 BEAERN Cc1ccccc1[C@H](C[NH3+])C1(C(=O)[O-])CCC1 ZINC000536952202 387165386 /nfs/dbraw/zinc/16/53/86/387165386.db2.gz BFSOAOTZTOXCEA-LBPRGKRZSA-N 0 0 233.311 2.292 10 0 BEAERN CCCc1noc(C[C@]2(O)CCC[C@H]2C)n1 ZINC000536952649 387165683 /nfs/dbraw/zinc/16/56/83/387165683.db2.gz DNELVNUJDHIXFQ-BXKDBHETSA-N 0 0 224.304 2.116 10 0 BEAERN O=C1NC[C@@H](c2cccc(O)c2)C12CCCC2 ZINC000536954592 387168401 /nfs/dbraw/zinc/16/84/01/387168401.db2.gz QPTUPJBBIFOJKE-LBPRGKRZSA-N 0 0 231.295 2.166 10 0 BEAERN CC(C)n1ncc2cccc(F)c2c1=O ZINC000536957525 387170487 /nfs/dbraw/zinc/17/04/87/387170487.db2.gz FBQMCXNNBUSXOC-UHFFFAOYSA-N 0 0 206.220 2.117 10 0 BEAERN Nc1cc(Br)cc([C@H](O)C2CC2)c1 ZINC000575480433 387171368 /nfs/dbraw/zinc/17/13/68/387171368.db2.gz VSIJWTQZHKLYBA-SNVBAGLBSA-N 0 0 242.116 2.475 10 0 BEAERN CCC(C)(CC)NC(=O)N[C@@H](COC)C1CC1 ZINC000120047456 387176190 /nfs/dbraw/zinc/17/61/90/387176190.db2.gz MZHIZHCSQXVWMF-NSHDSACASA-N 0 0 242.363 2.289 10 0 BEAERN C[C@H](C(=O)N1CC[C@H](CCO)C1)c1ccccc1 ZINC000229009090 387136074 /nfs/dbraw/zinc/13/60/74/387136074.db2.gz YNXKDCNCMWRNQL-QWHCGFSZSA-N 0 0 247.338 2.021 10 0 BEAERN C[C@@H](NCc1csc(Cl)n1)[C@H]1CCCO1 ZINC000290035993 387208983 /nfs/dbraw/zinc/20/89/83/387208983.db2.gz NRSJPBBAEPGAFL-VXNVDRBHSA-N 0 0 246.763 2.454 10 0 BEAERN C[C@H](NCc1csc(Cl)n1)[C@H]1CCCO1 ZINC000290035990 387210555 /nfs/dbraw/zinc/21/05/55/387210555.db2.gz NRSJPBBAEPGAFL-IONNQARKSA-N 0 0 246.763 2.454 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1C[C@@H]1C ZINC000187785522 387212678 /nfs/dbraw/zinc/21/26/78/387212678.db2.gz LDKMYFZBJLVXQJ-LMLFDSFASA-N 0 0 210.321 2.225 10 0 BEAERN CCO[C@@H]1C[C@H](Nc2cn(C)nc2C)C12CCC2 ZINC000187779511 387212754 /nfs/dbraw/zinc/21/27/54/387212754.db2.gz KRFIYDMUWPGDIQ-QWHCGFSZSA-N 0 0 249.358 2.488 10 0 BEAERN Cc1cn(CC2SCCS2)c(=S)[nH]1 ZINC000575592752 387219028 /nfs/dbraw/zinc/21/90/28/387219028.db2.gz KEOXDTRKBXIUEX-UHFFFAOYSA-N 0 0 232.399 2.286 10 0 BEAERN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C ZINC000230175477 387240027 /nfs/dbraw/zinc/24/00/27/387240027.db2.gz JPIQORYWHOWONK-ZDEQEGDKSA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(CO)c1 ZINC000230174155 387240088 /nfs/dbraw/zinc/24/00/88/387240088.db2.gz VLSUCCPBWCLRND-FZMZJTMJSA-N 0 0 247.338 2.231 10 0 BEAERN CSCCCCCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000188158972 387253718 /nfs/dbraw/zinc/25/37/18/387253718.db2.gz YYMZOHKBYPXNOG-WDEREUQCSA-N 0 0 245.388 2.203 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000187985739 387252033 /nfs/dbraw/zinc/25/20/33/387252033.db2.gz NVBPIXOAZOCSRJ-YPMHNXCESA-N 0 0 239.359 2.498 10 0 BEAERN Cc1cc(C=O)cc(OC(F)F)c1O ZINC000575662760 387200974 /nfs/dbraw/zinc/20/09/74/387200974.db2.gz HBHSCEOKNJUEBH-UHFFFAOYSA-N 0 0 202.156 2.115 10 0 BEAERN COc1cc(C)cc(OC(F)F)c1CO ZINC000575665187 387314055 /nfs/dbraw/zinc/31/40/55/387314055.db2.gz OYMDYNCSDGNEAB-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN COc1cc(C)cc(CO)c1OC(F)F ZINC000575665604 387315325 /nfs/dbraw/zinc/31/53/25/387315325.db2.gz RCVUTTWBZQBQLN-UHFFFAOYSA-N 0 0 218.199 2.097 10 0 BEAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)C(C)C ZINC000188165894 387256275 /nfs/dbraw/zinc/25/62/75/387256275.db2.gz VJCSJRUHJRHXSV-VXGBXAGGSA-N 0 0 244.379 2.079 10 0 BEAERN CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCCC1(C)C ZINC000324473656 387275948 /nfs/dbraw/zinc/27/59/48/387275948.db2.gz HOBNGBOBZHPSAM-WDEREUQCSA-N 0 0 241.375 2.336 10 0 BEAERN CSCCCC(=O)N(C)CC1CCC1 ZINC000120843317 387276314 /nfs/dbraw/zinc/27/63/14/387276314.db2.gz ZRKJHDWSRVTQPK-UHFFFAOYSA-N 0 0 215.362 2.388 10 0 BEAERN Nc1cccc(Br)c1NCCF ZINC000575491039 387277574 /nfs/dbraw/zinc/27/75/74/387277574.db2.gz YTLOTIXJDYPRDM-UHFFFAOYSA-N 0 0 233.084 2.413 10 0 BEAERN C[C@@H]1SCC[C@@H]1Nc1cnsc1 ZINC000575494122 387286464 /nfs/dbraw/zinc/28/64/64/387286464.db2.gz RGDRXTVVIIEJTK-XPUUQOCRSA-N 0 0 200.332 2.449 10 0 BEAERN Cc1cc(CO)c(C=O)cc1C(F)F ZINC000575666774 387318708 /nfs/dbraw/zinc/31/87/08/387318708.db2.gz AVEVNGYOWVBVLW-UHFFFAOYSA-N 0 0 200.184 2.237 10 0 BEAERN Cc1cc(Br)cc2c1nnn2C ZINC000261508065 387306479 /nfs/dbraw/zinc/30/64/79/387306479.db2.gz PJNLSAVPQZZVFP-UHFFFAOYSA-N 0 0 226.077 2.039 10 0 BEAERN CCC1CN(c2nnc(Br)s2)C1 ZINC000575599675 387355378 /nfs/dbraw/zinc/35/53/78/387355378.db2.gz YYICZJSILJFTLB-UHFFFAOYSA-N 0 0 248.149 2.147 10 0 BEAERN OCc1cc(O)c(Br)cc1Cl ZINC000575675515 387357881 /nfs/dbraw/zinc/35/78/81/387357881.db2.gz MJMBSDPPNNSPDM-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCc2c1cccc2O ZINC000266857660 387359336 /nfs/dbraw/zinc/35/93/36/387359336.db2.gz YMHXSPHCWQLJGK-ZHAHWJHGSA-N 0 0 246.310 2.087 10 0 BEAERN COc1cc(Cl)c(Cl)c(C(N)=O)c1 ZINC000575694356 387384179 /nfs/dbraw/zinc/38/41/79/387384179.db2.gz JDSJBTOIZTVHTB-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN Cn1c2ccccc2nc1[C@@H]1CCC(=O)C1 ZINC000575602241 387368898 /nfs/dbraw/zinc/36/88/98/387368898.db2.gz MJUHJYBUXCVJIM-SECBINFHSA-N 0 0 214.268 2.410 10 0 BEAERN CCC[C@@H]1COc2c(Br)cnn2C1 ZINC000575602052 387369466 /nfs/dbraw/zinc/36/94/66/387369466.db2.gz HSTRCYUWTXVOGD-ZETCQYMHSA-N 0 0 245.120 2.454 10 0 BEAERN Nc1cnn(C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000575602405 387371545 /nfs/dbraw/zinc/37/15/45/387371545.db2.gz OCRGUKZYNIYNPC-DGCLKSJQSA-N 0 0 213.284 2.269 10 0 BEAERN O=[S@@]1CCC[C@@H](C(F)(F)F)CC1 ZINC000575602752 387372549 /nfs/dbraw/zinc/37/25/49/387372549.db2.gz WHTFFSJJDVLKSH-SREIQFSDSA-N 0 0 200.225 2.098 10 0 BEAERN COC(=O)Cc1coc2cc3c(cc12)OCC3 ZINC000575603047 387372970 /nfs/dbraw/zinc/37/29/70/387372970.db2.gz ZWBPOIQCNAFDRC-UHFFFAOYSA-N 0 0 232.235 2.083 10 0 BEAERN O=[S@]1CCC[C@@H](C(F)(F)F)CC1 ZINC000575602758 387373025 /nfs/dbraw/zinc/37/30/25/387373025.db2.gz WHTFFSJJDVLKSH-INWYIAFRSA-N 0 0 200.225 2.098 10 0 BEAERN O=Cc1ccc(F)c(C=O)c1Br ZINC000575688973 387374957 /nfs/dbraw/zinc/37/49/57/387374957.db2.gz BRYNRUFBOKSJCT-UHFFFAOYSA-N 0 0 231.020 2.213 10 0 BEAERN COc1cc(F)cc(Br)c1CO ZINC000575689046 387376104 /nfs/dbraw/zinc/37/61/04/387376104.db2.gz IUNJTBXKOVZNQU-UHFFFAOYSA-N 0 0 235.052 2.089 10 0 BEAERN COc1cc(Br)cc(O)c1C(C)=O ZINC000575690379 387380909 /nfs/dbraw/zinc/38/09/09/387380909.db2.gz LUYDKVMSOPDNBW-UHFFFAOYSA-N 0 0 245.072 2.366 10 0 BEAERN Cc1ccc(O)c(Br)c1C=O ZINC000575692703 387381043 /nfs/dbraw/zinc/38/10/43/387381043.db2.gz KSMZXUQJPZRQTO-UHFFFAOYSA-N 0 0 215.046 2.276 10 0 BEAERN COc1c(C)cc(O)cc1OC(F)F ZINC000575666633 387319647 /nfs/dbraw/zinc/31/96/47/387319647.db2.gz XISDAJWPVZNOCG-UHFFFAOYSA-N 0 0 204.172 2.311 10 0 BEAERN CCc1c(CO)cc(C=O)cc1C(F)F ZINC000575667719 387323762 /nfs/dbraw/zinc/32/37/62/387323762.db2.gz MVGUKKJGRIAXPJ-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN CCc1cc(C(F)F)c(CO)cc1C=O ZINC000575667969 387323921 /nfs/dbraw/zinc/32/39/21/387323921.db2.gz OXEHQFREEQRSHJ-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN Cc1c(N)cnn1CC=C(Cl)Cl ZINC000575511892 387382559 /nfs/dbraw/zinc/38/25/59/387382559.db2.gz AJQUWBSOLHPLKI-UHFFFAOYSA-N 0 0 206.076 2.093 10 0 BEAERN CCc1cc(CO)c(C=O)c(C(F)F)c1 ZINC000575669345 387329823 /nfs/dbraw/zinc/32/98/23/387329823.db2.gz YASJRGBJXHZFJM-UHFFFAOYSA-N 0 0 214.211 2.491 10 0 BEAERN COc1cc(C(F)(F)F)cc(O)c1OC ZINC000575670814 387336163 /nfs/dbraw/zinc/33/61/63/387336163.db2.gz BMDLZXBPCSDHJK-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN COc1cc(C(F)(F)F)cc(OC)c1O ZINC000575671585 387336242 /nfs/dbraw/zinc/33/62/42/387336242.db2.gz MQEWCNFUFKERQJ-UHFFFAOYSA-N 0 0 222.162 2.428 10 0 BEAERN CCOC(=O)Cc1c(OC)cc(C)cc1OC ZINC000575672668 387338966 /nfs/dbraw/zinc/33/89/66/387338966.db2.gz GCWJMTLXPFMHNX-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN Cc1n[nH]cc1C(=O)N1CCC12CCCCC2 ZINC000373010205 387341214 /nfs/dbraw/zinc/34/12/14/387341214.db2.gz RQXPONAJQLWDGF-UHFFFAOYSA-N 0 0 233.315 2.267 10 0 BEAERN COc1c(C(N)=O)cc(C)cc1C(F)(F)F ZINC000575673373 387342506 /nfs/dbraw/zinc/34/25/06/387342506.db2.gz JWDFDVQSPZKNSH-UHFFFAOYSA-N 0 0 233.189 2.121 10 0 BEAERN C[C@H](Nc1cccc(C(N)=O)c1)[C@@H]1C[C@H]1C ZINC000322002430 387346480 /nfs/dbraw/zinc/34/64/80/387346480.db2.gz HBYGUCVZMZMCDL-VDDIYKPWSA-N 0 0 218.300 2.242 10 0 BEAERN FC1(F)C[C@@H]1Cc1nsc(Cl)n1 ZINC000575599603 387353037 /nfs/dbraw/zinc/35/30/37/387353037.db2.gz OCXFVHORKRMRKQ-VKHMYHEASA-N 0 0 210.636 2.389 10 0 BEAERN COc1ccc(OC(F)F)c(C(C)=O)c1N ZINC000575718082 387423375 /nfs/dbraw/zinc/42/33/75/387423375.db2.gz YIRFBSMDDACXFP-UHFFFAOYSA-N 0 0 231.198 2.081 10 0 BEAERN CC(=O)c1cc(N)c(O)cc1C(F)(F)F ZINC000575719116 387424323 /nfs/dbraw/zinc/42/43/23/387424323.db2.gz OQZCTPZBYPIAEI-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CC(=O)c1cc(C(F)(F)F)cc(O)c1N ZINC000575718383 387424766 /nfs/dbraw/zinc/42/47/66/387424766.db2.gz FWVIBPIJSPBKJQ-UHFFFAOYSA-N 0 0 219.162 2.196 10 0 BEAERN CC1CN(c2cc(Br)ccc2N)C1 ZINC000575515741 387427422 /nfs/dbraw/zinc/42/74/22/387427422.db2.gz TUFIEARCMDFBJU-UHFFFAOYSA-N 0 0 241.132 2.487 10 0 BEAERN CC(=O)c1cc(N)c(F)cc1OC(F)F ZINC000575716060 387430979 /nfs/dbraw/zinc/43/09/79/387430979.db2.gz HVMUCKFFMQNZDZ-UHFFFAOYSA-N 0 0 219.162 2.212 10 0 BEAERN CC(=O)c1cc(C)cc(N)c1OC(F)F ZINC000575716391 387431548 /nfs/dbraw/zinc/43/15/48/387431548.db2.gz CYBIHLMYWXEMNQ-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CC(=O)c1cc(OC(F)F)c(C)cc1N ZINC000575716188 387432174 /nfs/dbraw/zinc/43/21/74/387432174.db2.gz APUCQCUNMPHSGE-UHFFFAOYSA-N 0 0 215.199 2.381 10 0 BEAERN CCOc1cc(CC)c(C(C)=O)cc1N ZINC000575716910 387433136 /nfs/dbraw/zinc/43/31/36/387433136.db2.gz IERSTTRLNIDBRP-UHFFFAOYSA-N 0 0 207.273 2.433 10 0 BEAERN CCOC(=O)c1cc(C)c(N)cc1CC ZINC000575724421 387438337 /nfs/dbraw/zinc/43/83/37/387438337.db2.gz GRACXORJWXHULT-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN Nc1cc(Cl)cc(N)c1Br ZINC000575719961 387440164 /nfs/dbraw/zinc/44/01/64/387440164.db2.gz PYUAMIMRYOWOBR-UHFFFAOYSA-N 0 0 221.485 2.267 10 0 BEAERN CCC1(CNC(=O)N[C@H]2C[C@@H]2C)CCC1 ZINC000084156891 387441660 /nfs/dbraw/zinc/44/16/60/387441660.db2.gz KHRNPTDPZHBLCD-UWVGGRQHSA-N 0 0 210.321 2.274 10 0 BEAERN Nc1cc(O)c(Cl)cc1OC(F)F ZINC000575720654 387442817 /nfs/dbraw/zinc/44/28/17/387442817.db2.gz OIMJBLJJSIDLBZ-UHFFFAOYSA-N 0 0 209.579 2.229 10 0 BEAERN CCOc1cc(Br)c(N)cc1N ZINC000575720560 387442827 /nfs/dbraw/zinc/44/28/27/387442827.db2.gz ZBJWDKMGZJUUPR-UHFFFAOYSA-N 0 0 231.093 2.012 10 0 BEAERN Nc1cc(Cl)c(N)c(OC(F)F)c1 ZINC000575720634 387443030 /nfs/dbraw/zinc/44/30/30/387443030.db2.gz NLSNJZLYCSCNMJ-UHFFFAOYSA-N 0 0 208.595 2.106 10 0 BEAERN C[C@H]1CCC[C@@H](N(C)C(N)=S)CC1 ZINC000575522736 387444168 /nfs/dbraw/zinc/44/41/68/387444168.db2.gz CCUYPQNOWCSZLW-DTWKUNHWSA-N 0 0 200.351 2.131 10 0 BEAERN COc1cc(Br)cc(N)c1F ZINC000575721929 387444825 /nfs/dbraw/zinc/44/48/25/387444825.db2.gz AQBCFAYKMBSVRH-UHFFFAOYSA-N 0 0 220.041 2.179 10 0 BEAERN CC(=O)CCC(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000374358112 387445154 /nfs/dbraw/zinc/44/51/54/387445154.db2.gz ATGRNNMKSYYOAI-NWDGAFQWSA-N 0 0 223.316 2.147 10 0 BEAERN Nc1cc(N)c(C(F)F)cc1OC(F)F ZINC000575723144 387446222 /nfs/dbraw/zinc/44/62/22/387446222.db2.gz QFVPDLZFHCUXNI-UHFFFAOYSA-N 0 0 224.157 2.390 10 0 BEAERN CC(=O)c1cc(N)c(C(F)(F)F)c(N)c1 ZINC000575722658 387446652 /nfs/dbraw/zinc/44/66/52/387446652.db2.gz ITKTUKGRYVMACS-UHFFFAOYSA-N 0 0 218.178 2.072 10 0 BEAERN CCOC(=O)c1c(N)c(F)ccc1CC ZINC000575724062 387447768 /nfs/dbraw/zinc/44/77/68/387447768.db2.gz RDAKPOFEWOCOAE-UHFFFAOYSA-N 0 0 211.236 2.147 10 0 BEAERN CCOC(=O)c1cc(OCC)c(CC)cc1N ZINC000575723941 387447977 /nfs/dbraw/zinc/44/79/77/387447977.db2.gz KUXIOTZZUSUZIP-UHFFFAOYSA-N 0 0 237.299 2.407 10 0 BEAERN CCOC(=O)c1cc(N)c(C)c(OCC)c1 ZINC000575724085 387447982 /nfs/dbraw/zinc/44/79/82/387447982.db2.gz SBRYFAHXATYTCX-UHFFFAOYSA-N 0 0 223.272 2.153 10 0 BEAERN CCOC(=O)Cc1c(N)cc(F)cc1CC ZINC000575723999 387448115 /nfs/dbraw/zinc/44/81/15/387448115.db2.gz NXGPSTRLDAIPNH-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)Cc1cc(N)c(F)c(CC)c1 ZINC000575724089 387448126 /nfs/dbraw/zinc/44/81/26/387448126.db2.gz SGZSTHWCVMCJEI-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN CCOC(=O)Cc1cc(N)cc(F)c1CC ZINC000575723875 387448187 /nfs/dbraw/zinc/44/81/87/387448187.db2.gz GZWJXZJCCAGUBD-UHFFFAOYSA-N 0 0 225.263 2.076 10 0 BEAERN Cn1ncc(NCC(F)(F)F)c1Cl ZINC000575521007 387449527 /nfs/dbraw/zinc/44/95/27/387449527.db2.gz LJGDKMUCEDCBBU-UHFFFAOYSA-N 0 0 213.590 2.048 10 0 BEAERN CCOC(=O)c1cc(N)c(CC)cc1C ZINC000575725225 387462188 /nfs/dbraw/zinc/46/21/88/387462188.db2.gz VNDDOWIYEHCESP-UHFFFAOYSA-N 0 0 207.273 2.316 10 0 BEAERN CCOc1cc(C=O)c(CC)c(OC)c1 ZINC000575694432 387385949 /nfs/dbraw/zinc/38/59/49/387385949.db2.gz CHHLEFHIUOUGMX-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCC[C@@H](O)Cc1nc([C@@H]2CC23CC3)no1 ZINC000351293755 387387332 /nfs/dbraw/zinc/38/73/32/387387332.db2.gz UMHWVUIJZGCQTG-BDAKNGLRSA-N 0 0 222.288 2.041 10 0 BEAERN CC(C)(C)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160621932 387388500 /nfs/dbraw/zinc/38/85/00/387388500.db2.gz UWWWANHDWVNVGB-RISCZKNCSA-N 0 0 239.359 2.186 10 0 BEAERN CCc1cc(OC)cc(C(C)=O)c1OC ZINC000575696770 387397104 /nfs/dbraw/zinc/39/71/04/387397104.db2.gz RDACOFRXPJSXLU-UHFFFAOYSA-N 0 0 208.257 2.469 10 0 BEAERN CCOc1cc(C(N)=O)c(CC)cc1C ZINC000575696377 387397631 /nfs/dbraw/zinc/39/76/31/387397631.db2.gz MTJUESAKBDWLBK-UHFFFAOYSA-N 0 0 207.273 2.055 10 0 BEAERN CCc1cc(C=O)cc(C(F)(F)F)c1C(N)=O ZINC000575703688 387399979 /nfs/dbraw/zinc/39/99/79/387399979.db2.gz YLAMBNFALIKJBR-UHFFFAOYSA-N 0 0 245.200 2.179 10 0 BEAERN CCN(C(=O)c1ccc(COC)o1)C1CC1 ZINC000121717118 387400534 /nfs/dbraw/zinc/40/05/34/387400534.db2.gz ZBGWSFCZYLSOLT-UHFFFAOYSA-N 0 0 223.272 2.051 10 0 BEAERN CCOC(=O)c1cc(Cl)cc(O)c1OC ZINC000575700327 387403836 /nfs/dbraw/zinc/40/38/36/387403836.db2.gz HLTDTTFQXJWTRQ-UHFFFAOYSA-N 0 0 230.647 2.231 10 0 BEAERN CCc1c(C(N)=O)ccc(OC)c1SC ZINC000575702032 387406808 /nfs/dbraw/zinc/40/68/08/387406808.db2.gz BVLGKJSSLRREMI-UHFFFAOYSA-N 0 0 225.313 2.078 10 0 BEAERN COC(=O)c1cc(O)c(F)cc1C(F)(F)F ZINC000575714308 387408908 /nfs/dbraw/zinc/40/89/08/387408908.db2.gz QNEAQFGVKYTVPA-UHFFFAOYSA-N 0 0 238.136 2.337 10 0 BEAERN COc1ccc(SC)c(CO)c1F ZINC000575708212 387411727 /nfs/dbraw/zinc/41/17/27/387411727.db2.gz MFZYUHDDXRHBGY-UHFFFAOYSA-N 0 0 202.250 2.049 10 0 BEAERN Cc1c(F)cc(C(N)=O)cc1C(F)(F)F ZINC000575710820 387415029 /nfs/dbraw/zinc/41/50/29/387415029.db2.gz YZVKAHZNUBUGMV-UHFFFAOYSA-N 0 0 221.153 2.252 10 0 BEAERN COC(=O)c1c(C)ccc(O)c1Br ZINC000575712339 387417154 /nfs/dbraw/zinc/41/71/54/387417154.db2.gz JOEOGNZRVUEHCO-UHFFFAOYSA-N 0 0 245.072 2.250 10 0 BEAERN CCOC(=O)c1cc(N)c(CC)cc1OC ZINC000575725500 387461194 /nfs/dbraw/zinc/46/11/94/387461194.db2.gz YWRIMVHCLOVSRD-UHFFFAOYSA-N 0 0 223.272 2.017 10 0 BEAERN CCC[C@@H]1C(=O)NC(=O)[C@]1(C)c1ccccc1 ZINC000584623738 387502538 /nfs/dbraw/zinc/50/25/38/387502538.db2.gz MXKIIIUVBZQNBG-BXUZGUMPSA-N 0 0 231.295 2.017 10 0 BEAERN CCC[C@H]1C(=O)NC(=O)[C@]1(C)c1ccccc1 ZINC000584623744 387502979 /nfs/dbraw/zinc/50/29/79/387502979.db2.gz MXKIIIUVBZQNBG-SMDDNHRTSA-N 0 0 231.295 2.017 10 0 BEAERN C[C@@H]1C[C@H]1Nc1nnc(-c2ccon2)s1 ZINC000287763103 387509263 /nfs/dbraw/zinc/50/92/63/387509263.db2.gz HNAKNNSJJKSXLT-IYSWYEEDSA-N 0 0 222.273 2.013 10 0 BEAERN CC(C)(C)Nc1ccc2nccnc2n1 ZINC000301258497 387521788 /nfs/dbraw/zinc/52/17/88/387521788.db2.gz KYJCPRURRCRGJJ-UHFFFAOYSA-N 0 0 202.261 2.235 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1Cc1cc(F)ccc1F ZINC000399496616 387525561 /nfs/dbraw/zinc/52/55/61/387525561.db2.gz VIFQHTZQOKHSMM-JOYOIKCWSA-N 0 0 241.281 2.310 10 0 BEAERN COc1cc(C(F)(F)F)c(N)cc1O ZINC000575727481 387462986 /nfs/dbraw/zinc/46/29/86/387462986.db2.gz GLGNQWAWTUKTRP-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN CCC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(=O)[O-] ZINC000397680160 387463260 /nfs/dbraw/zinc/46/32/60/387463260.db2.gz IIWYWWLQGPKFOT-BBBLOLIVSA-N 0 0 213.321 2.264 10 0 BEAERN COc1cc(O)cc(C(F)(F)F)c1N ZINC000575727832 387466229 /nfs/dbraw/zinc/46/62/29/387466229.db2.gz GYAKJPNGENKGQM-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1ccc(N)c(O)c1C(F)(F)F ZINC000575729376 387467226 /nfs/dbraw/zinc/46/72/26/387467226.db2.gz ZDHHZQCBQWTPEP-UHFFFAOYSA-N 0 0 207.151 2.002 10 0 BEAERN COc1cc(C)c(N)cc1OC(F)(F)F ZINC000575729577 387467507 /nfs/dbraw/zinc/46/75/07/387467507.db2.gz NINKGIHYXZGLMK-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COc1cc(N)c(C)cc1OC(F)(F)F ZINC000575729103 387469174 /nfs/dbraw/zinc/46/91/74/387469174.db2.gz IZCQPKKXUWGOKU-UHFFFAOYSA-N 0 0 221.178 2.484 10 0 BEAERN COC(=O)Cc1cc(Cl)cc(Cl)c1N ZINC000575730342 387470037 /nfs/dbraw/zinc/47/00/37/387470037.db2.gz QZACBFPAIWIDTG-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN COC(=O)Cc1cc(Cl)c(N)cc1Cl ZINC000575730906 387475354 /nfs/dbraw/zinc/47/53/54/387475354.db2.gz XSAGNOGDEUFCGP-UHFFFAOYSA-N 0 0 234.082 2.291 10 0 BEAERN CNc1nc(-c2cccc(Cl)c2)no1 ZINC000053750154 387480094 /nfs/dbraw/zinc/48/00/94/387480094.db2.gz GQHFFIZVJBQOQS-UHFFFAOYSA-N 0 0 209.636 2.432 10 0 BEAERN CCCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000035837367 387581548 /nfs/dbraw/zinc/58/15/48/387581548.db2.gz TZIRWAWPMKXSCF-NWDGAFQWSA-N 0 0 203.285 2.459 10 0 BEAERN O[C@@H]1CC[C@@H]1Nc1ccsc1Cl ZINC000575540936 387590877 /nfs/dbraw/zinc/59/08/77/387590877.db2.gz HNTWJJHHJBPJGC-CAHLUQPWSA-N 0 0 203.694 2.337 10 0 BEAERN C[C@H]1C[C@@H]1CNc1cnn(C)c1Br ZINC000575540966 387591115 /nfs/dbraw/zinc/59/11/15/387591115.db2.gz HVAJSMURPORWDM-NKWVEPMBSA-N 0 0 244.136 2.251 10 0 BEAERN Nc1ccc(-c2cnc(C3CC3)o2)cn1 ZINC000527531524 387603106 /nfs/dbraw/zinc/60/31/06/387603106.db2.gz GOODFDIZPBDMMV-UHFFFAOYSA-N 0 0 201.229 2.027 10 0 BEAERN CCCCCC(=O)N(C)C[C@@H]1CCCO1 ZINC000122831808 387607071 /nfs/dbraw/zinc/60/70/71/387607071.db2.gz ZTEFNPSVYHUMAI-NSHDSACASA-N 0 0 213.321 2.204 10 0 BEAERN CCCCNc1cc(-n2cnnn2)ccc1F ZINC000037773506 387567305 /nfs/dbraw/zinc/56/73/05/387567305.db2.gz QMARBIQFKCRWGV-UHFFFAOYSA-N 0 0 235.266 2.013 10 0 BEAERN C[C@H](CCC(=O)N1CC(CO)C1)c1ccccc1 ZINC000122658677 387574392 /nfs/dbraw/zinc/57/43/92/387574392.db2.gz GSLYWDWFSLRWDO-GFCCVEGCSA-N 0 0 247.338 2.021 10 0 BEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@H](C)SC1 ZINC000575535640 387576967 /nfs/dbraw/zinc/57/69/67/387576967.db2.gz YTCRBSQDXHMQNZ-POYBYMJQSA-N 0 0 219.737 2.139 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(NC)nc1 ZINC000286026312 387578990 /nfs/dbraw/zinc/57/89/90/387578990.db2.gz IYFWNKIJUVQDQJ-KOLCDFICSA-N 0 0 233.315 2.042 10 0 BEAERN COCc1cnc(NCc2cscn2)s1 ZINC000285198031 387579408 /nfs/dbraw/zinc/57/94/08/387579408.db2.gz OFSGNDFYAYICCT-UHFFFAOYSA-N 0 0 241.341 2.358 10 0 BEAERN Cc1cncc(CNC(=O)[C@@H]2CC2(C)C)c1 ZINC000124916549 387635923 /nfs/dbraw/zinc/63/59/23/387635923.db2.gz VRDQAPSAPBZPMN-NSHDSACASA-N 0 0 218.300 2.052 10 0 BEAERN Cc1cnc([C@@H](C)NCc2ccc(F)cn2)o1 ZINC000356310278 387642935 /nfs/dbraw/zinc/64/29/35/387642935.db2.gz MXGMCUQJFISSNZ-SECBINFHSA-N 0 0 235.262 2.368 10 0 BEAERN CS[C@H]1CC[C@@H]1Nc1cc(N)ns1 ZINC000575548780 387645624 /nfs/dbraw/zinc/64/56/24/387645624.db2.gz GXCDMAQPFCCWHF-WDSKDSINSA-N 0 0 215.347 2.031 10 0 BEAERN CS[C@@H]1CC[C@@H]1Nc1cc(N)ns1 ZINC000575548776 387646049 /nfs/dbraw/zinc/64/60/49/387646049.db2.gz GXCDMAQPFCCWHF-NTSWFWBYSA-N 0 0 215.347 2.031 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1cc(N)ns1 ZINC000575548777 387646064 /nfs/dbraw/zinc/64/60/64/387646064.db2.gz GXCDMAQPFCCWHF-PHDIDXHHSA-N 0 0 215.347 2.031 10 0 BEAERN Cc1nc(NC2CSC2)sc1C ZINC000575549690 387648354 /nfs/dbraw/zinc/64/83/54/387648354.db2.gz LXOWYDTVJWYAJW-UHFFFAOYSA-N 0 0 200.332 2.287 10 0 BEAERN CCCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125349492 387653866 /nfs/dbraw/zinc/65/38/66/387653866.db2.gz XFAFYDGSUUUIIY-UHFFFAOYSA-N 0 0 235.331 2.306 10 0 BEAERN O=C([C@H]1CCCc2sccc21)N1CCCO1 ZINC000125409320 387654529 /nfs/dbraw/zinc/65/45/29/387654529.db2.gz MQHKUFPZJWUYLE-JTQLQIEISA-N 0 0 237.324 2.332 10 0 BEAERN COCc1ccc(C(=O)Nc2ncccc2C)o1 ZINC000123267546 387671662 /nfs/dbraw/zinc/67/16/62/387671662.db2.gz UVKAGZJENIIMSX-UHFFFAOYSA-N 0 0 246.266 2.382 10 0 BEAERN CCOC[C@@H](C)Nc1nc2ccccc2[nH]1 ZINC000044725891 387692732 /nfs/dbraw/zinc/69/27/32/387692732.db2.gz XIMAICZWVMLEAK-SECBINFHSA-N 0 0 219.288 2.400 10 0 BEAERN CC1(C)C[C@H]1Cn1ncc(Br)c1N ZINC000575574074 387749588 /nfs/dbraw/zinc/74/95/88/387749588.db2.gz HDBBTBGXDIXXIA-LURJTMIESA-N 0 0 244.136 2.274 10 0 BEAERN CCCC1(CNC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000128577675 387751051 /nfs/dbraw/zinc/75/10/51/387751051.db2.gz KDNPRHILXBKTBF-WDEREUQCSA-N 0 0 225.332 2.250 10 0 BEAERN CS[C@@H]1CC[C@H]1Nc1nsnc1Cl ZINC000575558357 387698938 /nfs/dbraw/zinc/69/89/38/387698938.db2.gz CWGLUJDUNKDKBX-RFZPGFLSSA-N 0 0 235.765 2.497 10 0 BEAERN CC(C)(C)CNc1ccc(Br)nn1 ZINC000575563717 387705887 /nfs/dbraw/zinc/70/58/87/387705887.db2.gz SHWARTMAIMBSKY-UHFFFAOYSA-N 0 0 244.136 2.119 10 0 BEAERN C[C@@H](O)CNc1nc(Cl)ccc1Cl ZINC000306305516 387722901 /nfs/dbraw/zinc/72/29/01/387722901.db2.gz IUDBZXIMDZQLCV-RXMQYKEDSA-N 0 0 221.087 2.181 10 0 BEAERN CC1(C)CC(C(=O)N2CCCC[C@@H](CO)C2)C1 ZINC000367623649 387736186 /nfs/dbraw/zinc/73/61/86/387736186.db2.gz IDYJNKRUWXYWNX-LLVKDONJSA-N 0 0 239.359 2.044 10 0 BEAERN CC1(C(=O)N2CCCC[C@H](CO)C2)CCCC1 ZINC000378208654 387771974 /nfs/dbraw/zinc/77/19/74/387771974.db2.gz UTRMBALUUBRDOQ-LBPRGKRZSA-N 0 0 239.359 2.188 10 0 BEAERN COC[C@H](C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000129511298 387772489 /nfs/dbraw/zinc/77/24/89/387772489.db2.gz YNZUVHKEJNMXDH-OLZOCXBDSA-N 0 0 249.354 2.497 10 0 BEAERN CC[C@H](NC(=O)Cc1cccc(N)c1)C(C)C ZINC000052923432 387812703 /nfs/dbraw/zinc/81/27/03/387812703.db2.gz MZDVNXCHZMIRAH-ZDUSSCGKSA-N 0 0 234.343 2.362 10 0 BEAERN Cc1cc(CO)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575637857 387832370 /nfs/dbraw/zinc/83/23/70/387832370.db2.gz IZAFIRGYCYJJAP-UHFFFAOYSA-N 0 0 235.161 2.414 10 0 BEAERN CCOc1c(C#N)cc(OC(F)F)cc1C=O ZINC000575638063 387832490 /nfs/dbraw/zinc/83/24/90/387832490.db2.gz DBCVUXUIXQSOMK-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN CCOc1cc(C#N)cc(OC)c1OCC ZINC000575637622 387832566 /nfs/dbraw/zinc/83/25/66/387832566.db2.gz CDSCKMFQLBACBJ-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN CCOc1cc(OC)c(C#N)c(OCC)c1 ZINC000575637694 387832812 /nfs/dbraw/zinc/83/28/12/387832812.db2.gz DXNQIILHZODHCO-UHFFFAOYSA-N 0 0 221.256 2.364 10 0 BEAERN Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1N ZINC000575638393 387833521 /nfs/dbraw/zinc/83/35/21/387833521.db2.gz SLFGSEYACTYOKR-UHFFFAOYSA-N 0 0 236.149 2.384 10 0 BEAERN CCOc1cc(C=O)cc(OCC)c1C#N ZINC000575638348 387833619 /nfs/dbraw/zinc/83/36/19/387833619.db2.gz PVEHICNGCRNBLI-UHFFFAOYSA-N 0 0 219.240 2.168 10 0 BEAERN COC(=O)c1c(N)ccc(C)c1C(F)(F)F ZINC000575638779 387834436 /nfs/dbraw/zinc/83/44/36/387834436.db2.gz COCJOBLGWVKWQW-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCOc1c(C#N)ccc(OC(F)F)c1CO ZINC000575639313 387835095 /nfs/dbraw/zinc/83/50/95/387835095.db2.gz QKDBRWKUCLZVQN-UHFFFAOYSA-N 0 0 243.209 2.051 10 0 BEAERN COC(=O)c1c(OC)c(N)ccc1C(F)(F)F ZINC000575639460 387835390 /nfs/dbraw/zinc/83/53/90/387835390.db2.gz HBIFJTSYYQFGGV-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000070502276 387835631 /nfs/dbraw/zinc/83/56/31/387835631.db2.gz BCQIZTCQDPPZFQ-KOLCDFICSA-N 0 0 211.305 2.162 10 0 BEAERN COc1ccc(C#N)c(OC(F)F)c1F ZINC000575639214 387835638 /nfs/dbraw/zinc/83/56/38/387835638.db2.gz FOVQJTCLNUIJEL-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN O=C([O-])[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000070502275 387835917 /nfs/dbraw/zinc/83/59/17/387835917.db2.gz BCQIZTCQDPPZFQ-MWLCHTKSSA-N 0 0 211.305 2.162 10 0 BEAERN O=C([O-])[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000070502273 387836519 /nfs/dbraw/zinc/83/65/19/387836519.db2.gz BCQIZTCQDPPZFQ-ONGXEEELSA-N 0 0 211.305 2.162 10 0 BEAERN COC(=O)c1cc(N)cc(C)c1OC(F)(F)F ZINC000575639633 387837110 /nfs/dbraw/zinc/83/71/10/387837110.db2.gz IYIFORKRDPSBSL-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)Cc1cc(C)cc(N)c1C(F)(F)F ZINC000575639625 387837136 /nfs/dbraw/zinc/83/71/36/387837136.db2.gz IXXSMZHNJBSMDS-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN COc1cc(C#N)c(C(C)=O)c(OC(F)F)c1 ZINC000575639629 387837301 /nfs/dbraw/zinc/83/73/01/387837301.db2.gz JBWFTIFFUHMJJB-UHFFFAOYSA-N 0 0 241.193 2.371 10 0 BEAERN N#Cc1c(F)c(C=O)ccc1OC(F)F ZINC000575640625 387839836 /nfs/dbraw/zinc/83/98/36/387839836.db2.gz PIOWNZZOSRMASS-UHFFFAOYSA-N 0 0 215.130 2.111 10 0 BEAERN COC(=O)c1ccc(C(F)(F)F)c(N)c1C ZINC000575640724 387839959 /nfs/dbraw/zinc/83/99/59/387839959.db2.gz OHYAILUHUYDDNF-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC(=O)c1c(N)cc(C)cc1C(F)(F)F ZINC000575640904 387840045 /nfs/dbraw/zinc/84/00/45/387840045.db2.gz QPQCMWVLQUTQJG-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN COC(=O)Cc1cc(C)c(C(F)(F)F)c(N)c1 ZINC000575639790 387841638 /nfs/dbraw/zinc/84/16/38/387841638.db2.gz KLMKJOMMKHQDCB-UHFFFAOYSA-N 0 0 247.216 2.312 10 0 BEAERN CCc1c(C#N)cc(C(F)F)cc1C(N)=O ZINC000575641695 387842145 /nfs/dbraw/zinc/84/21/45/387842145.db2.gz OJTITKFLKDCKRC-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COc1cc(OC(F)F)c(C#N)cc1C ZINC000575641645 387842358 /nfs/dbraw/zinc/84/23/58/387842358.db2.gz RXTDPURQFPVTSI-UHFFFAOYSA-N 0 0 213.183 2.477 10 0 BEAERN CCOc1cc(C#N)cc(CC)c1CO ZINC000575642402 387842491 /nfs/dbraw/zinc/84/24/91/387842491.db2.gz BTJXYODPLZDRMN-UHFFFAOYSA-N 0 0 205.257 2.012 10 0 BEAERN COc1c(C#N)cc(F)cc1OC(F)F ZINC000575639874 387842577 /nfs/dbraw/zinc/84/25/77/387842577.db2.gz KJUQJFADKYRFFG-UHFFFAOYSA-N 0 0 217.146 2.307 10 0 BEAERN Cc1cc(C#N)cc(C=O)c1OC(F)F ZINC000575641699 387842667 /nfs/dbraw/zinc/84/26/67/387842667.db2.gz SMSSPVKUFOKLTP-UHFFFAOYSA-N 0 0 211.167 2.281 10 0 BEAERN COC(=O)c1cc(N)c(C)c(C(F)(F)F)c1 ZINC000575641427 387842927 /nfs/dbraw/zinc/84/29/27/387842927.db2.gz UBLBFHQZKDDIHO-UHFFFAOYSA-N 0 0 233.189 2.383 10 0 BEAERN CCc1cc(C(N)=O)c(C#N)c(C(F)F)c1 ZINC000575642255 387846088 /nfs/dbraw/zinc/84/60/88/387846088.db2.gz WXONKZYGKRXKAX-UHFFFAOYSA-N 0 0 224.210 2.157 10 0 BEAERN COC(=O)c1ccc(OC(F)(F)F)c(C)c1N ZINC000575641355 387846938 /nfs/dbraw/zinc/84/69/38/387846938.db2.gz RIOHFMJEJLZWHH-UHFFFAOYSA-N 0 0 249.188 2.262 10 0 BEAERN COC(=O)c1ccc(N)c(C(F)(F)F)c1OC ZINC000575641396 387847446 /nfs/dbraw/zinc/84/74/46/387847446.db2.gz SRKJVCSYSSJETL-UHFFFAOYSA-N 0 0 249.188 2.083 10 0 BEAERN CCOc1c(C#N)cc(F)cc1C(C)=O ZINC000575645044 387874156 /nfs/dbraw/zinc/87/41/56/387874156.db2.gz ZQDCDNCJWFHFCI-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN C[C@@H](CC(=O)N1CCCC1)c1cccnc1 ZINC000062618424 387854240 /nfs/dbraw/zinc/85/42/40/387854240.db2.gz CGTJYHVVGPTWOY-NSHDSACASA-N 0 0 218.300 2.198 10 0 BEAERN C[C@@H](CC(=O)NCc1ccco1)c1cccnc1 ZINC000062620376 387854533 /nfs/dbraw/zinc/85/45/33/387854533.db2.gz ZSAOBZKFMYHXRC-NSHDSACASA-N 0 0 244.294 2.485 10 0 BEAERN CSCCN(C)c1cccc(F)n1 ZINC000157635144 387861097 /nfs/dbraw/zinc/86/10/97/387861097.db2.gz JJFSIQRLXKGDSQ-UHFFFAOYSA-N 0 0 200.282 2.020 10 0 BEAERN N#Cc1cc(F)c(CO)c(C(F)F)c1 ZINC000575642980 387864455 /nfs/dbraw/zinc/86/44/55/387864455.db2.gz KTIJYZVDICIEPG-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN Cc1ccc(Cn2cc(N)cn2)c(Cl)c1 ZINC000235877166 387864607 /nfs/dbraw/zinc/86/46/07/387864607.db2.gz SZVVGZHPXGMUEB-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN CCOc1c(C#N)cc(CC)cc1C=O ZINC000575642765 387864895 /nfs/dbraw/zinc/86/48/95/387864895.db2.gz ILTXFSZANTYUMX-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN N#Cc1cc(F)c(C(F)F)cc1CO ZINC000575642986 387865714 /nfs/dbraw/zinc/86/57/14/387865714.db2.gz KUVFWLOYBRQGNS-UHFFFAOYSA-N 0 0 201.147 2.127 10 0 BEAERN CCOc1cc(C(C)=O)cc(C#N)c1F ZINC000575643034 387866128 /nfs/dbraw/zinc/86/61/28/387866128.db2.gz LDYVLAKNUNXXIE-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN CCOc1cc(C=O)c(CC)cc1C#N ZINC000575643009 387866198 /nfs/dbraw/zinc/86/61/98/387866198.db2.gz KVQFEVKAVPMMJC-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc(C(C)=O)cc(OC)c1C#N ZINC000575643594 387869878 /nfs/dbraw/zinc/86/98/78/387869878.db2.gz BJONMHKPUCWPAH-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCOc1cc(F)cc(C#N)c1C(C)=O ZINC000575644095 387871199 /nfs/dbraw/zinc/87/11/99/387871199.db2.gz VCOGTTXWXPUGCN-UHFFFAOYSA-N 0 0 207.204 2.299 10 0 BEAERN O=Cc1nc(Cl)ccc1OC(F)(F)F ZINC000238535124 387871952 /nfs/dbraw/zinc/87/19/52/387871952.db2.gz PFZWQEJYWAMOGI-UHFFFAOYSA-N 0 0 225.553 2.446 10 0 BEAERN COc1cc(CC(=O)OC(C)(C)C)ccc1O ZINC000575624021 387815589 /nfs/dbraw/zinc/81/55/89/387815589.db2.gz JIJFVQZYQZRKTQ-UHFFFAOYSA-N 0 0 238.283 2.285 10 0 BEAERN CCc1cc(C#N)c([N+](=O)[O-])cc1OC ZINC000575650247 387890336 /nfs/dbraw/zinc/89/03/36/387890336.db2.gz XTPQOBKUPPZQKJ-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN Cc1cc(OC(F)F)c(C)c(C(N)=O)c1 ZINC000575653040 387894583 /nfs/dbraw/zinc/89/45/83/387894583.db2.gz RRWGUWYQMTYUDX-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN CCc1cc(CO)c(O)cc1OC(F)F ZINC000575653264 387894611 /nfs/dbraw/zinc/89/46/11/387894611.db2.gz CUSKOFWMGFTACW-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN Cc1cc(OC(F)F)cc(C(N)=O)c1C ZINC000575652941 387894649 /nfs/dbraw/zinc/89/46/49/387894649.db2.gz OGKHKTGZYGFGML-UHFFFAOYSA-N 0 0 215.199 2.004 10 0 BEAERN CCc1cc(CO)cc(F)c1OC(F)F ZINC000575653281 387894778 /nfs/dbraw/zinc/89/47/78/387894778.db2.gz DJOXLFNTLRFTTE-UHFFFAOYSA-N 0 0 220.190 2.482 10 0 BEAERN CCc1cc(CO)cc(O)c1OC(F)F ZINC000575653475 387896098 /nfs/dbraw/zinc/89/60/98/387896098.db2.gz IQCZNJZTFVZDML-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CCc1cc(OC(F)F)cc(CO)c1O ZINC000575653457 387896326 /nfs/dbraw/zinc/89/63/26/387896326.db2.gz HVSPLIJZBCJVBI-UHFFFAOYSA-N 0 0 218.199 2.048 10 0 BEAERN CC(=O)c1c(O)cc(C#N)cc1C(F)F ZINC000575644636 387876124 /nfs/dbraw/zinc/87/61/24/387876124.db2.gz ZTONOMYJYTZKGA-UHFFFAOYSA-N 0 0 211.167 2.404 10 0 BEAERN N#Cc1c(C=O)cc(F)cc1OC(F)(F)F ZINC000575645885 387876128 /nfs/dbraw/zinc/87/61/28/387876128.db2.gz FYEPLNRSBPTCIQ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN CCc1cc(C#N)c(C(C)=O)c(OC)c1 ZINC000575645764 387876879 /nfs/dbraw/zinc/87/68/79/387876879.db2.gz MXXOQCGIKGAVGF-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN CCc1cc([N+](=O)[O-])cc(C#N)c1C(C)=O ZINC000575646019 387877776 /nfs/dbraw/zinc/87/77/76/387877776.db2.gz GUXKOUJPGCWVHT-UHFFFAOYSA-N 0 0 218.212 2.231 10 0 BEAERN N#Cc1cc([N+](=O)[O-])c(C=O)cc1C(F)(F)F ZINC000575646693 387882419 /nfs/dbraw/zinc/88/24/19/387882419.db2.gz DQMLOUXWMYARGD-UHFFFAOYSA-N 0 0 244.128 2.298 10 0 BEAERN Cc1cc(C)c(NCCN2CCOCC2)c(C)c1 ZINC000032104126 177865547 /nfs/dbraw/zinc/86/55/47/177865547.db2.gz FEEOBCXKFZCMGA-UHFFFAOYSA-N 0 0 248.370 2.356 10 0 BEAERN CCc1ccc(OC)c([N+](=O)[O-])c1C#N ZINC000575647844 387883285 /nfs/dbraw/zinc/88/32/85/387883285.db2.gz NZOFTFMQMGQUPE-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCOc1cc([N+](=O)[O-])cc(C#N)c1C(C)=O ZINC000575647653 387883672 /nfs/dbraw/zinc/88/36/72/387883672.db2.gz JBOWMJBSRQDWLY-UHFFFAOYSA-N 0 0 234.211 2.068 10 0 BEAERN CCOc1cc(OCC)c(C#N)cc1O ZINC000575648808 387884973 /nfs/dbraw/zinc/88/49/73/387884973.db2.gz JMDYXRMVVDCYGY-UHFFFAOYSA-N 0 0 207.229 2.061 10 0 BEAERN CCc1cc(OC)c(C#N)c([N+](=O)[O-])c1 ZINC000575648814 387885378 /nfs/dbraw/zinc/88/53/78/387885378.db2.gz QJVHZMOFCWOTJN-UHFFFAOYSA-N 0 0 206.201 2.037 10 0 BEAERN CCc1cc(C#N)c(C(C)=O)cc1OC ZINC000575648730 387885928 /nfs/dbraw/zinc/88/59/28/387885928.db2.gz XHJFQQOXSLNHRJ-UHFFFAOYSA-N 0 0 203.241 2.332 10 0 BEAERN COc1cc(C(F)(F)F)c(CO)cc1C#N ZINC000575649392 387886234 /nfs/dbraw/zinc/88/62/34/387886234.db2.gz PGBUBYANFULLJU-UHFFFAOYSA-N 0 0 231.173 2.078 10 0 BEAERN N#CCc1ccc(C#N)c(C=O)c1C(F)(F)F ZINC000575649056 387886341 /nfs/dbraw/zinc/88/63/41/387886341.db2.gz RZGVMSVAOMDERP-UHFFFAOYSA-N 0 0 238.168 2.456 10 0 BEAERN N#Cc1cc(C=O)c(F)c(OC(F)(F)F)c1 ZINC000575649152 387887123 /nfs/dbraw/zinc/88/71/23/387887123.db2.gz UIUYRVOEIVPIKJ-UHFFFAOYSA-N 0 0 233.120 2.408 10 0 BEAERN COc1cc(C=O)c(C#N)c(C(F)(F)F)c1 ZINC000575649729 387887842 /nfs/dbraw/zinc/88/78/42/387887842.db2.gz RHSPBRUGTXBIJE-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN COc1c(C=O)ccc(C#N)c1C(F)(F)F ZINC000575649491 387888004 /nfs/dbraw/zinc/88/80/04/387888004.db2.gz QCSLQRYMIMTXBK-UHFFFAOYSA-N 0 0 229.157 2.398 10 0 BEAERN CCc1cc(C(N)=O)cc(C(F)(F)F)c1C#N ZINC000575650613 387889426 /nfs/dbraw/zinc/88/94/26/387889426.db2.gz XXWBPPPQPWOVKN-UHFFFAOYSA-N 0 0 242.200 2.238 10 0 BEAERN OCc1cc(O)c(C(F)F)cc1OC(F)F ZINC000575651717 387899677 /nfs/dbraw/zinc/89/96/77/387899677.db2.gz AMQBXZVMVOJKHN-UHFFFAOYSA-N 0 0 240.152 2.424 10 0 BEAERN CCOc1cc(F)c(C#N)cc1OCC ZINC000575651376 387899957 /nfs/dbraw/zinc/89/99/57/387899957.db2.gz VTCWMBUDHWXODC-UHFFFAOYSA-N 0 0 209.220 2.495 10 0 BEAERN CCn1c(C)nnc1CN([C@@H](C)C1CC1)C1CC1 ZINC000195068154 387901534 /nfs/dbraw/zinc/90/15/34/387901534.db2.gz WEGSQMMJYJHRLN-JTQLQIEISA-N 0 0 248.374 2.369 10 0 BEAERN O=C(NCCCCO)[C@@H]1C[C@H]1C1CCCCC1 ZINC000194989957 387901739 /nfs/dbraw/zinc/90/17/39/387901739.db2.gz DKALVCXYAFSUGV-QWHCGFSZSA-N 0 0 239.359 2.092 10 0 BEAERN COCCN1CCCC[C@H]1c1nccs1 ZINC000195360915 387910724 /nfs/dbraw/zinc/91/07/24/387910724.db2.gz PMLRUSLEWPEAMQ-JTQLQIEISA-N 0 0 226.345 2.317 10 0 BEAERN Nc1cc(-c2ccc(C(F)(F)F)nc2)[nH]n1 ZINC000066347460 387913154 /nfs/dbraw/zinc/91/31/54/387913154.db2.gz NANPHKRCZHQKDX-UHFFFAOYSA-N 0 0 228.177 2.073 10 0 BEAERN COc1ccc([C@H](O)c2cncs2)s1 ZINC000306154624 387926249 /nfs/dbraw/zinc/92/62/49/387926249.db2.gz BLGKVZORMFRXED-VIFPVBQESA-N 0 0 227.310 2.295 10 0 BEAERN C[C@H](CC(=O)N[C@H](C)c1nc[nH]n1)C(C)(C)C ZINC000225059997 387940730 /nfs/dbraw/zinc/94/07/30/387940730.db2.gz HWMPAKKHTQDCKP-RKDXNWHRSA-N 0 0 238.335 2.054 10 0 BEAERN C[C@H](CC(=O)N[C@@H](C)c1nc[nH]n1)C(C)(C)C ZINC000225059908 387941999 /nfs/dbraw/zinc/94/19/99/387941999.db2.gz HWMPAKKHTQDCKP-BDAKNGLRSA-N 0 0 238.335 2.054 10 0 BEAERN COC(=O)[C@H](NCc1cccs1)C(C)(C)C ZINC000041051871 387959916 /nfs/dbraw/zinc/95/99/16/387959916.db2.gz BRFBLNUIWHCCJO-JTQLQIEISA-N 0 0 241.356 2.425 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cl)n1 ZINC000125789758 177814782 /nfs/dbraw/zinc/81/47/82/177814782.db2.gz PWMBTFXTXMFJOI-RCOVLWMOSA-N 0 0 224.691 2.182 10 0 BEAERN O=C1OCCOc2c3cc(Cl)ccc3ncc21 ZINC000053994761 387976706 /nfs/dbraw/zinc/97/67/06/387976706.db2.gz PWPMLFWYAULLOV-UHFFFAOYSA-N 0 0 249.653 2.437 10 0 BEAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000246013239 388003061 /nfs/dbraw/zinc/00/30/61/388003061.db2.gz LKJMZSSQCMWWTR-FOGDFJRCSA-N 0 0 225.332 2.249 10 0 BEAERN CCO[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000246163043 388013584 /nfs/dbraw/zinc/01/35/84/388013584.db2.gz ARNQIXGYBUYCNR-WXHSDQCUSA-N 0 0 233.311 2.289 10 0 BEAERN CCn1c(C)nnc1CN(C)Cc1ccoc1C ZINC000195106502 388096289 /nfs/dbraw/zinc/09/62/89/388096289.db2.gz AVLNGHOVSRGXQF-UHFFFAOYSA-N 0 0 248.330 2.140 10 0 BEAERN Clc1ccc(NCc2ncc[nH]2)nc1 ZINC000070646499 388161100 /nfs/dbraw/zinc/16/11/00/388161100.db2.gz BCVWHXDFOYBXQL-UHFFFAOYSA-N 0 0 208.652 2.070 10 0 BEAERN Nc1ccc2c(c1)CCN(CC(F)(F)F)C2 ZINC000082789893 388131058 /nfs/dbraw/zinc/13/10/58/388131058.db2.gz QCUVZNXPVBANNZ-UHFFFAOYSA-N 0 0 230.233 2.189 10 0 BEAERN CC[C@H]1CC[C@H](C(=O)Nc2n[nH]c(C)n2)CC1 ZINC000249766050 388140983 /nfs/dbraw/zinc/14/09/83/388140983.db2.gz ILTPLWASSRQACN-MGCOHNPYSA-N 0 0 236.319 2.268 10 0 BEAERN Nc1cnc(Cl)nc1Nc1ccccc1 ZINC000082289052 388257972 /nfs/dbraw/zinc/25/79/72/388257972.db2.gz DOSOAXSODCIAKI-UHFFFAOYSA-N 0 0 220.663 2.456 10 0 BEAERN Cc1ccc(-c2cnc(=O)[nH]c2)c(Cl)c1 ZINC000065344665 388259285 /nfs/dbraw/zinc/25/92/85/388259285.db2.gz UTCLBDJWFUDSDB-UHFFFAOYSA-N 0 0 220.659 2.399 10 0 BEAERN CC[C@H](C)[S@@](=O)[C@H]1CCCC(=O)C1 ZINC000251296414 388325181 /nfs/dbraw/zinc/32/51/81/388325181.db2.gz ATTZCVRDHVRDDW-GMOODISLSA-N 0 0 202.319 2.045 10 0 BEAERN Cc1cc(C(=O)N2CCS[C@@H](C)C2)co1 ZINC000186631778 177761961 /nfs/dbraw/zinc/76/19/61/177761961.db2.gz LUWJCTXJOPJFBN-VIFPVBQESA-N 0 0 225.313 2.166 10 0 BEAERN Cc1csc(Cc2nc(N)cs2)n1 ZINC000131826006 388352059 /nfs/dbraw/zinc/35/20/59/388352059.db2.gz BDCPVWFBDLYAMR-UHFFFAOYSA-N 0 0 211.315 2.081 10 0 BEAERN O=C([O-])[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000057354190 388357233 /nfs/dbraw/zinc/35/72/33/388357233.db2.gz GPWBUSYJURGRIM-ZDUSSCGKSA-N 0 0 233.311 2.373 10 0 BEAERN CC[C@H]1Sc2ccc(N)cc2NC1=O ZINC000057352808 388357850 /nfs/dbraw/zinc/35/78/50/388357850.db2.gz KPVAHOXFAMUEAX-MRVPVSSYSA-N 0 0 208.286 2.092 10 0 BEAERN Cc1nn(C)cc1NC1CCSCC1 ZINC000230952083 388377046 /nfs/dbraw/zinc/37/70/46/388377046.db2.gz ZTWHNGDQTIXNTC-UHFFFAOYSA-N 0 0 211.334 2.036 10 0 BEAERN C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccccc1F ZINC000294685711 388403590 /nfs/dbraw/zinc/40/35/90/388403590.db2.gz AEYKCGNAIQHORE-GXFFZTMASA-N 0 0 223.291 2.171 10 0 BEAERN C[C@H]1C[C@H](O)CN(C(=O)C(C)(C)C2CCC2)C1 ZINC000334745759 388447540 /nfs/dbraw/zinc/44/75/40/388447540.db2.gz KPCXQCBMIAECBJ-JQWIXIFHSA-N 0 0 239.359 2.042 10 0 BEAERN COc1nn(C)cc1N[C@@H]1CCC1(C)C ZINC000335086744 388448747 /nfs/dbraw/zinc/44/87/47/388448747.db2.gz YFROQOVWRIOBLY-SECBINFHSA-N 0 0 209.293 2.029 10 0 BEAERN CC(C)CNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000045112850 388458959 /nfs/dbraw/zinc/45/89/59/388458959.db2.gz GNYIXGQIYWFDQW-GFCCVEGCSA-N 0 0 248.326 2.465 10 0 BEAERN O=C(CCC1CCC1)NC[C@@H]1CCCC[C@@H]1O ZINC000176852401 388464234 /nfs/dbraw/zinc/46/42/34/388464234.db2.gz CTVILLBIRXAQKR-STQMWFEESA-N 0 0 239.359 2.234 10 0 BEAERN CSCCCCNc1nc(C)nc(C)c1F ZINC000336703026 388465179 /nfs/dbraw/zinc/46/51/79/388465179.db2.gz OKGINQSFVBLSTJ-UHFFFAOYSA-N 0 0 243.351 2.210 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000648851644 388469590 /nfs/dbraw/zinc/46/95/90/388469590.db2.gz HZAWGNUBVUEQCK-AGIUHOORSA-N 0 0 241.375 2.478 10 0 BEAERN Cc1csc([C@@H]2CN(C(C)C)CCO2)n1 ZINC000134060984 388473925 /nfs/dbraw/zinc/47/39/25/388473925.db2.gz CPEYUULDKLGATO-JTQLQIEISA-N 0 0 226.345 2.233 10 0 BEAERN CC[C@H]1c2[nH]cnc2CCN1Cc1ccccn1 ZINC000067803228 388407444 /nfs/dbraw/zinc/40/74/44/388407444.db2.gz RVESXZIXLXRJKV-ZDUSSCGKSA-N 0 0 242.326 2.314 10 0 BEAERN CC(C)OC(=O)NCCSC(C)C ZINC000308140785 388433138 /nfs/dbraw/zinc/43/31/38/388433138.db2.gz KZUXEXIZIBIFQG-UHFFFAOYSA-N 0 0 205.323 2.263 10 0 BEAERN O[C@@H]1CCCC[C@H]1Nc1cccc2c1CCO2 ZINC000573266934 388436976 /nfs/dbraw/zinc/43/69/76/388436976.db2.gz UHLIHEPXIXIKNU-CHWSQXEVSA-N 0 0 233.311 2.337 10 0 BEAERN Cc1nsc(NC(=O)c2cccc(C)c2O)n1 ZINC000135390774 388494334 /nfs/dbraw/zinc/49/43/34/388494334.db2.gz ZNRJDKNHAOUMSD-UHFFFAOYSA-N 0 0 249.295 2.113 10 0 BEAERN C[C@@H](O)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000548071146 388508065 /nfs/dbraw/zinc/50/80/65/388508065.db2.gz RMWLQUDTTFGAOK-POOIEITISA-N 0 0 239.359 2.185 10 0 BEAERN C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000344997289 388510115 /nfs/dbraw/zinc/51/01/15/388510115.db2.gz VYYNFRZQQCCAOT-SDDRHHMPSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CO)CC(C)(C)C ZINC000345192521 388510514 /nfs/dbraw/zinc/51/05/14/388510514.db2.gz DLTHSVIKCYBWBI-UTUOFQBUSA-N 0 0 241.375 2.336 10 0 BEAERN CO[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233782 388526195 /nfs/dbraw/zinc/52/61/95/388526195.db2.gz MIZMXJYGTUQDKE-VHSXEESVSA-N 0 0 239.290 2.346 10 0 BEAERN Nc1nc(-c2ccc3ccccc3c2)cc(=O)[nH]1 ZINC000082302843 388586805 /nfs/dbraw/zinc/58/68/05/388586805.db2.gz XKPHMQCWGPHVLU-UHFFFAOYSA-N 0 0 237.262 2.172 10 0 BEAERN C[C@](O)(c1ccc(C=O)cc1)c1cccnc1 ZINC000082293812 388587200 /nfs/dbraw/zinc/58/72/00/388587200.db2.gz XDYQVHHLNLCCMO-AWEZNQCLSA-N 0 0 227.263 2.150 10 0 BEAERN CCN(CC)C(=O)c1ccc(F)cc1C=O ZINC000082703110 388587643 /nfs/dbraw/zinc/58/76/43/388587643.db2.gz FSYMLPFBJBKURP-UHFFFAOYSA-N 0 0 223.247 2.120 10 0 BEAERN Nc1ccccc1COc1ccccc1N ZINC000075623957 388575320 /nfs/dbraw/zinc/57/53/20/388575320.db2.gz YHSWZKRARWXICS-UHFFFAOYSA-N 0 0 214.268 2.430 10 0 BEAERN Cc1ccc2nc(C(N)=S)sc2c1 ZINC000075851827 388575869 /nfs/dbraw/zinc/57/58/69/388575869.db2.gz KBNOVZOYILYLFC-UHFFFAOYSA-N 0 0 208.311 2.239 10 0 BEAERN C[C@@H]1CN(C)C(=O)N([C@H]2C=CCCC2)C1 ZINC000222194542 388584314 /nfs/dbraw/zinc/58/43/14/388584314.db2.gz QYAAMAJOFNKYLZ-MNOVXSKESA-N 0 0 208.305 2.099 10 0 BEAERN Cc1cc(CO)ncc1OCCC(F)(F)F ZINC000223252252 388584627 /nfs/dbraw/zinc/58/46/27/388584627.db2.gz ATZYAJVCKRKFID-UHFFFAOYSA-N 0 0 235.205 2.214 10 0 BEAERN CCCc1cc(NC(=O)c2cncc(F)c2)n[nH]1 ZINC000124847686 388665581 /nfs/dbraw/zinc/66/55/81/388665581.db2.gz LWIYCOJMTIJLHU-UHFFFAOYSA-N 0 0 248.261 2.149 10 0 BEAERN CC(C)[C@H](C)CNc1cnn(C)c(=O)c1Cl ZINC000125390529 388672372 /nfs/dbraw/zinc/67/23/72/388672372.db2.gz SXEPIGWQSDIJER-MRVPVSSYSA-N 0 0 243.738 2.138 10 0 BEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1CC=CCC1 ZINC000225653793 388682882 /nfs/dbraw/zinc/68/28/82/388682882.db2.gz NLXXWXDSJJLEGU-JHJVBQTASA-N 0 0 237.343 2.010 10 0 BEAERN CC(C)[C@H]1Nc2ccccc2C(=O)N1C ZINC000066128375 388621537 /nfs/dbraw/zinc/62/15/37/388621537.db2.gz POWBIFXXKOMRAH-NSHDSACASA-N 0 0 204.273 2.166 10 0 BEAERN CCC(=O)Nc1ccc(N)c(Br)c1 ZINC000066134014 388630512 /nfs/dbraw/zinc/63/05/12/388630512.db2.gz JENAQQMDEPFSOB-UHFFFAOYSA-N 0 0 243.104 2.380 10 0 BEAERN Cn1cc(-c2ccc(Cl)c(N)c2)cn1 ZINC000061692243 388643642 /nfs/dbraw/zinc/64/36/42/388643642.db2.gz ZXFAYJZPEXCJMB-UHFFFAOYSA-N 0 0 207.664 2.323 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000246653200 388647197 /nfs/dbraw/zinc/64/71/97/388647197.db2.gz DKNRDQZMUKPYRC-IJLUTSLNSA-N 0 0 227.348 2.495 10 0 BEAERN C[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)[C@H]1C ZINC000247028876 388658057 /nfs/dbraw/zinc/65/80/57/388658057.db2.gz UWEOXUTZSBYBCX-MNOVXSKESA-N 0 0 248.374 2.313 10 0 BEAERN CCC1CCC(NC(=O)Cc2cnn(C)c2)CC1 ZINC000194819728 388744432 /nfs/dbraw/zinc/74/44/32/388744432.db2.gz YQKNMZYJXQKFEC-UHFFFAOYSA-N 0 0 249.358 2.048 10 0 BEAERN CO[C@@H]1CN(C(=O)N[C@H](C)C(C)C)CC[C@@H]1C ZINC000251512420 388748102 /nfs/dbraw/zinc/74/81/02/388748102.db2.gz CFCVDNHBIFFXHE-QJPTWQEYSA-N 0 0 242.363 2.097 10 0 BEAERN CO[C@@H]1CN(C(=O)N[C@H](C)C(C)C)CC[C@H]1C ZINC000251512410 388748351 /nfs/dbraw/zinc/74/83/51/388748351.db2.gz CFCVDNHBIFFXHE-IJLUTSLNSA-N 0 0 242.363 2.097 10 0 BEAERN Clc1nc(Cl)nc(-c2cncs2)n1 ZINC000575453598 388751832 /nfs/dbraw/zinc/75/18/32/388751832.db2.gz BNRPNSJNQPTINH-UHFFFAOYSA-N 0 0 233.083 2.302 10 0 BEAERN CSCCCCNC(=O)CC1CCOCC1 ZINC000126177518 388689907 /nfs/dbraw/zinc/68/99/07/388689907.db2.gz CKOFRFNTFDRMNX-UHFFFAOYSA-N 0 0 245.388 2.063 10 0 BEAERN C[C@@H]1C[C@H](C)CN(Cc2nnc(C3CC3)n2C)C1 ZINC000195008805 388693455 /nfs/dbraw/zinc/69/34/55/388693455.db2.gz YXZFHDMIDZDUGR-PHIMTYICSA-N 0 0 248.374 2.170 10 0 BEAERN CCc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)[nH]n1 ZINC000126820580 388705009 /nfs/dbraw/zinc/70/50/09/388705009.db2.gz RLRPBFRXVYMZPA-VIFPVBQESA-N 0 0 247.298 2.365 10 0 BEAERN Cc1csc(C(C)(C)NCc2cncnc2)n1 ZINC000116382659 388710188 /nfs/dbraw/zinc/71/01/88/388710188.db2.gz GLRIHZMQNSBOCX-UHFFFAOYSA-N 0 0 248.355 2.266 10 0 BEAERN CCc1cccc(NC(=O)C(=O)N(CC)CC)c1 ZINC000193761361 388714429 /nfs/dbraw/zinc/71/44/29/388714429.db2.gz JGWGMWGEUMOIKM-UHFFFAOYSA-N 0 0 248.326 2.056 10 0 BEAERN Clc1cc(S[C@H]2CCOC2)ncn1 ZINC000575449560 388731226 /nfs/dbraw/zinc/73/12/26/388731226.db2.gz AJEHJLKUKATLKD-LURJTMIESA-N 0 0 216.693 2.011 10 0 BEAERN CSC(C)(C)CNC(=O)OC(C)C ZINC000127803550 388731546 /nfs/dbraw/zinc/73/15/46/388731546.db2.gz WPBDMSOTEDKEEV-UHFFFAOYSA-N 0 0 205.323 2.263 10 0 BEAERN Cc1c[nH]c(=S)n1CC1SCCS1 ZINC000575449686 388731878 /nfs/dbraw/zinc/73/18/78/388731878.db2.gz LRUQHWDMQUNPJR-UHFFFAOYSA-N 0 0 232.399 2.286 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1nnc(C)c(C)n1 ZINC000229548513 388793974 /nfs/dbraw/zinc/79/39/74/388793974.db2.gz RIZBNDTVLACZJR-VHSXEESVSA-N 0 0 206.293 2.089 10 0 BEAERN CC[C@@H](NC(=O)c1cccnc1F)C(C)C ZINC000229920474 388805199 /nfs/dbraw/zinc/80/51/99/388805199.db2.gz UQZHRXAFLRKFQU-SNVBAGLBSA-N 0 0 224.279 2.385 10 0 BEAERN C[C@H](Nc1cnn(C)c1Cl)C(F)F ZINC000575460928 388807181 /nfs/dbraw/zinc/80/71/81/388807181.db2.gz GVDVPEUJMNOTJE-BYPYZUCNSA-N 0 0 209.627 2.139 10 0 BEAERN O=C1NCCCC1=NNc1ccc(Cl)cc1 ZINC000254505421 388808746 /nfs/dbraw/zinc/80/87/46/388808746.db2.gz CLMKXPFKQHSMCA-UHFFFAOYSA-N 0 0 237.690 2.018 10 0 BEAERN CCS(=O)(=O)C[C@@H](C)Nc1ccccc1C ZINC000129008293 388810562 /nfs/dbraw/zinc/81/05/62/388810562.db2.gz LBENGFCLWFMPNL-LLVKDONJSA-N 0 0 241.356 2.230 10 0 BEAERN Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1N ZINC000020522387 388774229 /nfs/dbraw/zinc/77/42/29/388774229.db2.gz QWILDMAHBINULZ-SNVBAGLBSA-N 0 0 220.316 2.352 10 0 BEAERN CC(C)(C)c1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1 ZINC000067173309 388779823 /nfs/dbraw/zinc/77/98/23/388779823.db2.gz AZPUDOGXSXHPQA-OLZOCXBDSA-N 0 0 247.338 2.372 10 0 BEAERN CC[C@](C)(CCO)Nc1ncc(Cl)cn1 ZINC000230216154 388820210 /nfs/dbraw/zinc/82/02/10/388820210.db2.gz UFNCKZMSLVNRTA-SNVBAGLBSA-N 0 0 229.711 2.093 10 0 BEAERN Fc1ccnc([C@H]2CSCCS2)n1 ZINC000575467616 388838981 /nfs/dbraw/zinc/83/89/81/388838981.db2.gz YHPPJIAYHDRWBY-ZCFIWIBFSA-N 0 0 216.306 2.137 10 0 BEAERN F[C@@H]1CCCN(c2nsnc2Cl)C1 ZINC000575471190 388846372 /nfs/dbraw/zinc/84/63/72/388846372.db2.gz CFMSYPHMHVNMRC-RXMQYKEDSA-N 0 0 221.688 2.130 10 0 BEAERN Cc1cccc(C)c1N1CCCCS1(=O)=O ZINC000041282452 132297003 /nfs/dbraw/zinc/29/70/03/132297003.db2.gz PWFDSVNZLQLFCI-UHFFFAOYSA-N 0 0 239.340 2.233 10 0 BEAERN CCO[C@@H]1CCCN(c2ccc(F)cc2N)C1 ZINC000042421278 132351418 /nfs/dbraw/zinc/35/14/18/132351418.db2.gz MLWPCKVWNYUMRZ-LLVKDONJSA-N 0 0 238.306 2.413 10 0 BEAERN Nc1ccc(Cl)cc1N1CCCOC1=O ZINC000041054535 132349283 /nfs/dbraw/zinc/34/92/83/132349283.db2.gz ZJDWWSKWINXIJK-UHFFFAOYSA-N 0 0 226.663 2.269 10 0 BEAERN CC[C@@H]1CN(c2cc(N)ccc2C)CCO1 ZINC000053734998 132363520 /nfs/dbraw/zinc/36/35/20/132363520.db2.gz ZIOUPYYHHRRIPL-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN CCN(C)C(=O)CSc1ccc(C)cc1N ZINC000037223434 169678233 /nfs/dbraw/zinc/67/82/33/169678233.db2.gz RAIRQOLLGXOREI-UHFFFAOYSA-N 0 0 238.356 2.148 10 0 BEAERN CCN(C)C(=O)c1ccc2c(c1)CCCN2 ZINC000037078874 169691250 /nfs/dbraw/zinc/69/12/50/169691250.db2.gz BKEZOYKEEOECGR-UHFFFAOYSA-N 0 0 218.300 2.137 10 0 BEAERN CN1CCNc2cc(F)c(Br)cc21 ZINC000096984931 132242581 /nfs/dbraw/zinc/24/25/81/132242581.db2.gz XMBPNCSGTMWPQL-UHFFFAOYSA-N 0 0 245.095 2.450 10 0 BEAERN COc1cccc(N2CCCCC2=O)c1 ZINC000002524414 132315363 /nfs/dbraw/zinc/31/53/63/132315363.db2.gz KLOOVEKZEIYBEP-UHFFFAOYSA-N 0 0 205.257 2.212 10 0 BEAERN C[C@@H]1c2ccccc2N(C)C[C@H]1CCO ZINC000005330371 132317608 /nfs/dbraw/zinc/31/76/08/132317608.db2.gz BFTYJJLGGPNCGS-WDEREUQCSA-N 0 0 205.301 2.239 10 0 BEAERN CC(=O)CC(=O)N1CCCc2cc(C)ccc21 ZINC000019409027 132324578 /nfs/dbraw/zinc/32/45/78/132324578.db2.gz DJIIJXNWAZNLQX-UHFFFAOYSA-N 0 0 231.295 2.253 10 0 BEAERN CC(=O)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000019409712 132324600 /nfs/dbraw/zinc/32/46/00/132324600.db2.gz UFOVGFVKWWOPPN-SNVBAGLBSA-N 0 0 231.295 2.333 10 0 BEAERN C[C@H]1CN(c2ccc(C=O)cc2F)C[C@H](C)O1 ZINC000020078952 132329634 /nfs/dbraw/zinc/32/96/34/132329634.db2.gz UXDXMYXTMOTFEA-UWVGGRQHSA-N 0 0 237.274 2.252 10 0 BEAERN CCCC(=O)N1CCCc2ccc(N)cc21 ZINC000020182740 132330052 /nfs/dbraw/zinc/33/00/52/132330052.db2.gz HKIUGOBYWVYWRM-UHFFFAOYSA-N 0 0 218.300 2.348 10 0 BEAERN COCCN1CCNc2cccc(Cl)c21 ZINC000077340501 132333534 /nfs/dbraw/zinc/33/35/34/132333534.db2.gz WPZLNIQAFBGPQV-UHFFFAOYSA-N 0 0 226.707 2.218 10 0 BEAERN Cc1nnc(N2CCC(=O)CC2)c2ccccc12 ZINC000035121115 132337554 /nfs/dbraw/zinc/33/75/54/132337554.db2.gz QTQSPHBUDRSTHN-UHFFFAOYSA-N 0 0 241.294 2.108 10 0 BEAERN C[C@H]1CN(c2ccc3cc(N)ccc3n2)CCO1 ZINC000035060494 132337564 /nfs/dbraw/zinc/33/75/64/132337564.db2.gz JRWZTXLMEYGIQY-JTQLQIEISA-N 0 0 243.310 2.042 10 0 BEAERN C[C@H]1COCCN1c1ccc2cc(N)ccc2n1 ZINC000035774252 132339016 /nfs/dbraw/zinc/33/90/16/132339016.db2.gz LYJQNAAYYAEWTN-JTQLQIEISA-N 0 0 243.310 2.042 10 0 BEAERN C[C@@H]1CN(c2ccc(C=O)cc2F)[C@H](C)CO1 ZINC000035787597 132339626 /nfs/dbraw/zinc/33/96/26/132339626.db2.gz FWZLHIIDBGIEQD-NXEZZACHSA-N 0 0 237.274 2.252 10 0 BEAERN CC[C@@H]1CO[C@H](C)CN1c1cccc(N)c1 ZINC000036131701 132340075 /nfs/dbraw/zinc/34/00/75/132340075.db2.gz LCJAIWZLEKDHLA-ZYHUDNBSSA-N 0 0 220.316 2.273 10 0 BEAERN CC[C@@H]1CCCN(c2ncccc2N)C1 ZINC000036168911 132340228 /nfs/dbraw/zinc/34/02/28/132340228.db2.gz WCSQILMRXWRLFO-SNVBAGLBSA-N 0 0 205.305 2.290 10 0 BEAERN CC[C@@H]1CCCN(c2ccc(N)nc2)C1 ZINC000036168950 132340234 /nfs/dbraw/zinc/34/02/34/132340234.db2.gz KDEHQYWDZCUGOP-SNVBAGLBSA-N 0 0 205.305 2.290 10 0 BEAERN CC[C@@H]1CCCN(c2ccc(N)c3nonc32)C1 ZINC000036168960 132340238 /nfs/dbraw/zinc/34/02/38/132340238.db2.gz KDKISJQLAWCPSE-SECBINFHSA-N 0 0 246.314 2.431 10 0 BEAERN C[C@H](O)c1ccccc1N1CCOC(C)(C)C1 ZINC000036232835 132341068 /nfs/dbraw/zinc/34/10/68/132341068.db2.gz ZZKMQRHXHNGGIE-NSHDSACASA-N 0 0 235.327 2.355 10 0 BEAERN Nc1cccc(Cl)c1N1CCC[C@H](CO)C1 ZINC000036226938 132341096 /nfs/dbraw/zinc/34/10/96/132341096.db2.gz BNSKJSDYYYCLAV-VIFPVBQESA-N 0 0 240.734 2.131 10 0 BEAERN CC[C@H]1CN(c2ccc(C)cc2N)CCO1 ZINC000036769289 132342476 /nfs/dbraw/zinc/34/24/76/132342476.db2.gz DRMVSSXMZLPHCK-NSHDSACASA-N 0 0 220.316 2.192 10 0 BEAERN C[C@@H]1CN(c2ccc(F)cc2C=O)C[C@@H](C)O1 ZINC000037233694 132343765 /nfs/dbraw/zinc/34/37/65/132343765.db2.gz RNUQESWOTDOHNX-NXEZZACHSA-N 0 0 237.274 2.252 10 0 BEAERN CC[C@@H]1CO[C@@H](C)CN1c1cccc(F)c1N ZINC000037419766 132344432 /nfs/dbraw/zinc/34/44/32/132344432.db2.gz GCVQTNWXFHPQRV-VHSXEESVSA-N 0 0 238.306 2.412 10 0 BEAERN Nc1cccc2c1CCCN2C[C@H]1CCCO1 ZINC000037906206 132345574 /nfs/dbraw/zinc/34/55/74/132345574.db2.gz HVKGVYSVBCLAEW-LLVKDONJSA-N 0 0 232.327 2.200 10 0 BEAERN CCOCCN1CCSc2ccc(N)cc21 ZINC000038051420 132346039 /nfs/dbraw/zinc/34/60/39/132346039.db2.gz JDJUUSRFOOPVHN-UHFFFAOYSA-N 0 0 238.356 2.217 10 0 BEAERN C[C@@H]1CN(c2c(F)cc(N)cc2F)[C@H](C)CO1 ZINC000038040123 132346093 /nfs/dbraw/zinc/34/60/93/132346093.db2.gz NXOCMYMSQLHNIK-HTQZYQBOSA-N 0 0 242.269 2.161 10 0 BEAERN OCC1CCN(c2ccc3ccccc3n2)CC1 ZINC000040444377 132347621 /nfs/dbraw/zinc/34/76/21/132347621.db2.gz BFCNTGDHNKSMDI-UHFFFAOYSA-N 0 0 242.322 2.444 10 0 BEAERN Cc1ccc(N2CCCCS2(=O)=O)c(C)c1 ZINC000041282441 132350108 /nfs/dbraw/zinc/35/01/08/132350108.db2.gz KRSJEOQXDVMNNH-UHFFFAOYSA-N 0 0 239.340 2.233 10 0 BEAERN CCCO[C@H]1CCCN(c2ccc(N)nc2)C1 ZINC000042421117 132351374 /nfs/dbraw/zinc/35/13/74/132351374.db2.gz HFGPXTZMSBIJRH-LBPRGKRZSA-N 0 0 235.331 2.059 10 0 BEAERN COc1cc(F)ccc1N1CCC(=O)C[C@H]1C ZINC000049714385 132358100 /nfs/dbraw/zinc/35/81/00/132358100.db2.gz BESLKVFTUVPZGW-SECBINFHSA-N 0 0 237.274 2.392 10 0 BEAERN Cc1cc(N2C[C@@H](C)OC[C@@H]2C)ccc1CO ZINC000050582800 132359258 /nfs/dbraw/zinc/35/92/58/132359258.db2.gz GKFOZVKBWNGSJO-NWDGAFQWSA-N 0 0 235.327 2.101 10 0 BEAERN Cc1cc(N2C[C@@H](C)O[C@H](C)C2)ccc1CO ZINC000050582409 132359313 /nfs/dbraw/zinc/35/93/13/132359313.db2.gz WTRCUSSXNZHPLV-VXGBXAGGSA-N 0 0 235.327 2.101 10 0 BEAERN Cc1cc(N2C[C@@H](C)OC(C)(C)C2)ccc1CO ZINC000050583441 132359357 /nfs/dbraw/zinc/35/93/57/132359357.db2.gz HTCONIVTVLNXAY-GFCCVEGCSA-N 0 0 249.354 2.491 10 0 BEAERN C[C@@H]1CO[C@@H](C)CN1c1cc(F)ccc1N ZINC000052120345 132362015 /nfs/dbraw/zinc/36/20/15/132362015.db2.gz ZJVZDQHNGJCYEJ-BDAKNGLRSA-N 0 0 224.279 2.022 10 0 BEAERN Cc1cc(N)cnc1N1CCCC[C@@H]1C ZINC000052812163 132362429 /nfs/dbraw/zinc/36/24/29/132362429.db2.gz VSWRTRKQBZMFDP-JTQLQIEISA-N 0 0 205.305 2.351 10 0 BEAERN Nc1cccc(N2CCCC[C@H]2CCO)c1 ZINC000057363597 132365684 /nfs/dbraw/zinc/36/56/84/132365684.db2.gz NBZDIQQCRGECLW-LBPRGKRZSA-N 0 0 220.316 2.010 10 0 BEAERN CC[C@@H]1CN(c2ccc(N)cc2C)CCO1 ZINC000057549714 132365842 /nfs/dbraw/zinc/36/58/42/132365842.db2.gz CHNQPBNDDFYANL-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN O=C(NC1CC1)N1CCCc2cccc(O)c21 ZINC000057896060 132366883 /nfs/dbraw/zinc/36/68/83/132366883.db2.gz CKBMKQJPTUIFEP-UHFFFAOYSA-N 0 0 232.283 2.017 10 0 BEAERN C[C@@H]1CCC[C@@H](C)N1c1ccc(N)c(C(N)=O)c1 ZINC000058479242 132368303 /nfs/dbraw/zinc/36/83/03/132368303.db2.gz YCSKTYDPNADPQM-NXEZZACHSA-N 0 0 247.342 2.135 10 0 BEAERN C[C@@H]1CCCCN1c1ccc(CO)cc1N ZINC000058825339 132368392 /nfs/dbraw/zinc/36/83/92/132368392.db2.gz UHFDZVJCFJVDNA-SNVBAGLBSA-N 0 0 220.316 2.140 10 0 BEAERN Cc1cc(N)ccc1N1CCOCC1(C)C ZINC000058681164 132368451 /nfs/dbraw/zinc/36/84/51/132368451.db2.gz IPDJGFTVDMQWOU-UHFFFAOYSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@@H]1CCCCN1c1ccc(N)cc1C(N)=O ZINC000058479315 132368485 /nfs/dbraw/zinc/36/84/85/132368485.db2.gz PQCNJRZUVYSNLO-LLVKDONJSA-N 0 0 247.342 2.137 10 0 BEAERN CC1(C)CCN(c2ccc(N)c3nonc32)CC1 ZINC000061819269 132387333 /nfs/dbraw/zinc/38/73/33/132387333.db2.gz LHVGUAHYHDCCKV-UHFFFAOYSA-N 0 0 246.314 2.431 10 0 BEAERN CCCCN1c2cc(N)ccc2O[C@@H](C)C1=O ZINC000011568949 132449106 /nfs/dbraw/zinc/44/91/06/132449106.db2.gz JYWYKGWXPDVUFI-VIFPVBQESA-N 0 0 234.299 2.183 10 0 BEAERN CCC[C@H]([NH2+][C@H]1CC[C@H](CC)C1)C(=O)[O-] ZINC000083404991 133524843 /nfs/dbraw/zinc/52/48/43/133524843.db2.gz WUDVEWAZGYCCOQ-DCAQKATOSA-N 0 0 213.321 2.408 10 0 BEAERN Cc1ccccc1NC(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000334507785 133661710 /nfs/dbraw/zinc/66/17/10/133661710.db2.gz ICNNWIFUNDBBTM-JQWIXIFHSA-N 0 0 248.326 2.230 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOc2ccncc21 ZINC000335123595 133792056 /nfs/dbraw/zinc/79/20/56/133792056.db2.gz LYTRDPKLBHZTAZ-WDEREUQCSA-N 0 0 246.310 2.243 10 0 BEAERN O=C(Nc1ccc2c(c1)CCN2)N1CC2(CC2)C1 ZINC000335271189 133825318 /nfs/dbraw/zinc/82/53/18/133825318.db2.gz KUBUZNLHSKEXPY-UHFFFAOYSA-N 0 0 243.310 2.282 10 0 BEAERN O=C(c1cccs1)N1C[C@H]2CCC[C@H]21 ZINC000335872018 133946349 /nfs/dbraw/zinc/94/63/49/133946349.db2.gz YZEYZSKHYMJINW-RKDXNWHRSA-N 0 0 207.298 2.373 10 0 BEAERN CC(C)[C@H](C)NC(=O)CCC(=O)OC(C)(C)C ZINC000191909687 133967046 /nfs/dbraw/zinc/96/70/46/133967046.db2.gz WJQFASFMVLLUOL-JTQLQIEISA-N 0 0 243.347 2.269 10 0 BEAERN C[C@H]1CN(C(=O)C(C)(C)C(F)F)CCS1 ZINC000336050770 134064709 /nfs/dbraw/zinc/06/47/09/134064709.db2.gz DBGWSGQCUIJJFT-ZETCQYMHSA-N 0 0 237.315 2.242 10 0 BEAERN CC(C)C(C)(C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000336160245 134110864 /nfs/dbraw/zinc/11/08/64/134110864.db2.gz YKSOXBXPEJXCMG-QWRGUYRKSA-N 0 0 227.348 2.304 10 0 BEAERN Cc1nc([C@@H](C)NC(=O)c2ccccn2)cs1 ZINC000170497103 134254430 /nfs/dbraw/zinc/25/44/30/134254430.db2.gz DWAXLGAXISMCNV-MRVPVSSYSA-N 0 0 247.323 2.338 10 0 BEAERN COC(C)(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000170968748 134255735 /nfs/dbraw/zinc/25/57/35/134255735.db2.gz YOMDOIOCPDAJDH-NSHDSACASA-N 0 0 249.310 2.051 10 0 BEAERN CNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000172504900 134267586 /nfs/dbraw/zinc/26/75/86/134267586.db2.gz NFGDHRVHCDZQSG-JQWIXIFHSA-N 0 0 248.326 2.212 10 0 BEAERN Cc1cnc(CN2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000173398539 134274354 /nfs/dbraw/zinc/27/43/54/134274354.db2.gz JFSOPWYFRJROLW-GFCCVEGCSA-N 0 0 246.314 2.433 10 0 BEAERN CC[C@H](C(=O)OC)N1CCC[C@@H]1c1ccco1 ZINC000173653044 134275702 /nfs/dbraw/zinc/27/57/02/134275702.db2.gz ODHVFZBZEREQRT-GHMZBOCLSA-N 0 0 237.299 2.368 10 0 BEAERN Cn1cncc1CN1CCC[C@H]1c1ccco1 ZINC000177080854 134297428 /nfs/dbraw/zinc/29/74/28/134297428.db2.gz DQZGCKWFKCEZPP-LBPRGKRZSA-N 0 0 231.299 2.350 10 0 BEAERN CCN(CC(C)C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000178041994 134302700 /nfs/dbraw/zinc/30/27/00/134302700.db2.gz WOXRBLHWAKJGOX-WDEREUQCSA-N 0 0 213.321 2.058 10 0 BEAERN CC(C)CCC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178340463 134308739 /nfs/dbraw/zinc/30/87/39/134308739.db2.gz ZMOOQRNNJVZXTQ-ZFWWWQNUSA-N 0 0 247.338 2.197 10 0 BEAERN Cc1cnc([C@@H](C)NCCOC(C)(C)C)o1 ZINC000220929530 134314945 /nfs/dbraw/zinc/31/49/45/134314945.db2.gz LCYUGWHIDXAGGA-SNVBAGLBSA-N 0 0 226.320 2.449 10 0 BEAERN CCCCCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000225652340 134356753 /nfs/dbraw/zinc/35/67/53/134356753.db2.gz ZWGUOXHWAZENET-VXGBXAGGSA-N 0 0 227.348 2.234 10 0 BEAERN C[C@@H]1CCC[C@H]1C(=O)NCC1(CO)CCCC1 ZINC000226230623 134361478 /nfs/dbraw/zinc/36/14/78/134361478.db2.gz PYADWQGMJJSANW-VXGBXAGGSA-N 0 0 239.359 2.092 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)NCC1(CO)CCCC1 ZINC000226230634 134361800 /nfs/dbraw/zinc/36/18/00/134361800.db2.gz PYADWQGMJJSANW-NWDGAFQWSA-N 0 0 239.359 2.092 10 0 BEAERN O=C(OCC1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000184393406 134362870 /nfs/dbraw/zinc/36/28/70/134362870.db2.gz QHGUTEYCMPBCAE-NEPJUHHUSA-N 0 0 239.315 2.176 10 0 BEAERN O[C@H]1CCOc2c(NC3CCOCC3)cccc21 ZINC000184572514 134363570 /nfs/dbraw/zinc/36/35/70/134363570.db2.gz ZFBIAPZZUZDUFE-ZDUSSCGKSA-N 0 0 249.310 2.093 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)NC2CCCC2)o1 ZINC000226546041 134366095 /nfs/dbraw/zinc/36/60/95/134366095.db2.gz SMDMVDVUWASKCF-VIFPVBQESA-N 0 0 237.303 2.286 10 0 BEAERN CC[C@H](Nc1cc(OC)ncn1)C(C)C ZINC000085485023 134380890 /nfs/dbraw/zinc/38/08/90/134380890.db2.gz ULPMBFQJXALPLA-VIFPVBQESA-N 0 0 209.293 2.332 10 0 BEAERN Cc1cnc([C@H](C)NC(=O)c2cccc(O)c2)o1 ZINC000227688257 134384384 /nfs/dbraw/zinc/38/43/84/134384384.db2.gz RXXSUTNICLHRQO-VIFPVBQESA-N 0 0 246.266 2.180 10 0 BEAERN C[C@@H](CO)CSC[C@H]1Cc2ccccc2O1 ZINC000085537686 134404260 /nfs/dbraw/zinc/40/42/60/134404260.db2.gz PVZHVPHCAHKUBE-CMPLNLGQSA-N 0 0 238.352 2.352 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)CC(C)(C)C ZINC000230173263 134486094 /nfs/dbraw/zinc/48/60/94/134486094.db2.gz SDNMVTBZTMMTOF-WOPDTQHZSA-N 0 0 241.375 2.336 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)NC(C)(C)C(C)(C)O ZINC000230176343 134487192 /nfs/dbraw/zinc/48/71/92/134487192.db2.gz AJTPWJXFWHHQKM-UWVGGRQHSA-N 0 0 227.348 2.088 10 0 BEAERN O=C(Nc1ccc2c(c1)CCN2)c1cscn1 ZINC000063180889 134525309 /nfs/dbraw/zinc/52/53/09/134525309.db2.gz ZKEQDDJNICYZGH-UHFFFAOYSA-N 0 0 245.307 2.363 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000189212473 134541492 /nfs/dbraw/zinc/54/14/92/134541492.db2.gz BFODGCNTRUCPGB-UTUOFQBUSA-N 0 0 225.332 2.060 10 0 BEAERN CCN(CC1CC1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191629188 134574159 /nfs/dbraw/zinc/57/41/59/134574159.db2.gz JZPGSMLEVIZEPV-PWSUYJOCSA-N 0 0 225.332 2.060 10 0 BEAERN O[C@@H]1CCCC[C@@H]1n1nccc1-c1ccncc1 ZINC000193095208 134592541 /nfs/dbraw/zinc/59/25/41/134592541.db2.gz XXQGJRYGSCBXOI-UONOGXRCSA-N 0 0 243.310 2.421 10 0 BEAERN CSCC(=O)Nc1ccc(-c2nnco2)cc1 ZINC000049097079 134628552 /nfs/dbraw/zinc/62/85/52/134628552.db2.gz BKBBAEAVCKDMJZ-UHFFFAOYSA-N 0 0 249.295 2.038 10 0 BEAERN O=C(N[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000049043195 134628870 /nfs/dbraw/zinc/62/88/70/134628870.db2.gz RZLLHVCIKCPPDJ-NEPJUHHUSA-N 0 0 201.269 2.069 10 0 BEAERN C[C@@]1(C(=O)Nc2cc(Cl)ccn2)CCCO1 ZINC000133150862 134675665 /nfs/dbraw/zinc/67/56/65/134675665.db2.gz UMYMWAMNGQPGTL-NSHDSACASA-N 0 0 240.690 2.243 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)[C@@H](C)COC ZINC000155762676 134699117 /nfs/dbraw/zinc/69/91/17/134699117.db2.gz JDWBIPXJNOLUDN-NWDGAFQWSA-N 0 0 227.348 2.450 10 0 BEAERN CC(C)(C)CC(=O)N1CCC[C@@H]1CCCO ZINC000052757948 134710377 /nfs/dbraw/zinc/71/03/77/134710377.db2.gz GZCPBWJOUZKPQA-LLVKDONJSA-N 0 0 227.348 2.186 10 0 BEAERN Cc1cccc(C(=O)N2CCC[C@@H]2CCCO)c1 ZINC000052758637 134711228 /nfs/dbraw/zinc/71/12/28/134711228.db2.gz QBTBXLBBYZEZAI-CQSZACIVSA-N 0 0 247.338 2.372 10 0 BEAERN OCCCc1cccc(NCC2CCOCC2)c1 ZINC000136219369 134767937 /nfs/dbraw/zinc/76/79/37/134767937.db2.gz MDXGCPBCWHHFTM-UHFFFAOYSA-N 0 0 249.354 2.450 10 0 BEAERN Cc1ccc(CC(=O)NCc2ccncc2)s1 ZINC000057030035 134784199 /nfs/dbraw/zinc/78/41/99/134784199.db2.gz QYWNWXDYALTNHR-UHFFFAOYSA-N 0 0 246.335 2.310 10 0 BEAERN O=C(Nc1cc(F)cc(F)c1F)c1cn[nH]c1 ZINC000061122519 134796339 /nfs/dbraw/zinc/79/63/39/134796339.db2.gz YHAMESYZHKTYHT-UHFFFAOYSA-N 0 0 241.172 2.079 10 0 BEAERN C[C@H](C1CC1)N(C(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000246111760 134877859 /nfs/dbraw/zinc/87/78/59/134877859.db2.gz XNQMTTHPIMMZFC-BREBYQMCSA-N 0 0 237.343 2.343 10 0 BEAERN CCCCN(CCOC)C(=O)N[C@H](C)C(C)C ZINC000069381190 134900960 /nfs/dbraw/zinc/90/09/60/134900960.db2.gz ZHKIDJIQURDQGW-GFCCVEGCSA-N 0 0 244.379 2.489 10 0 BEAERN CC[C@H](C)[C@@H](C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000180700771 134915391 /nfs/dbraw/zinc/91/53/91/134915391.db2.gz RBHQXFKXSHYXJQ-NNYUYHANSA-N 0 0 227.348 2.304 10 0 BEAERN C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)[C@H]1CCCO1 ZINC000246491337 134954380 /nfs/dbraw/zinc/95/43/80/134954380.db2.gz RJIZSCZHTJIRMG-WISYIIOYSA-N 0 0 240.347 2.136 10 0 BEAERN C[C@H](O)CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247487355 134983364 /nfs/dbraw/zinc/98/33/64/134983364.db2.gz TZUSXVYMHYILSS-DRZSPHRISA-N 0 0 239.359 2.090 10 0 BEAERN Cc1oncc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000248504671 135001395 /nfs/dbraw/zinc/00/13/95/135001395.db2.gz VRKGMJSEJAOWKM-OLZOCXBDSA-N 0 0 236.315 2.126 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H](C)C1 ZINC000249295987 135042692 /nfs/dbraw/zinc/04/26/92/135042692.db2.gz BYDSIFWCTGJWFM-FRRDWIJNSA-N 0 0 239.359 2.450 10 0 BEAERN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000249906114 135047172 /nfs/dbraw/zinc/04/71/72/135047172.db2.gz HDPFSSJNOOYKMG-YFKTTZPYSA-N 0 0 227.348 2.352 10 0 BEAERN Cc1nn(C)cc1N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000250069011 135048919 /nfs/dbraw/zinc/04/89/19/135048919.db2.gz NUCGGHQSOYINRK-CYZMBNFOSA-N 0 0 249.358 2.344 10 0 BEAERN FC(F)(F)CNCc1ncc(Cl)s1 ZINC000236118234 135053901 /nfs/dbraw/zinc/05/39/01/135053901.db2.gz SJMIHNUZERGXHS-UHFFFAOYSA-N 0 0 230.642 2.448 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000250741715 135058116 /nfs/dbraw/zinc/05/81/16/135058116.db2.gz PYHDQMBJSZOOLQ-AGIUHOORSA-N 0 0 239.359 2.450 10 0 BEAERN CCC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000077207534 135059645 /nfs/dbraw/zinc/05/96/45/135059645.db2.gz BRIYMOZLIAKCBY-GHMZBOCLSA-N 0 0 227.348 2.090 10 0 BEAERN CCC[C@H](CC)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000253278535 135125376 /nfs/dbraw/zinc/12/53/76/135125376.db2.gz ODTKEGGLZFZBSM-SDDRHHMPSA-N 0 0 227.348 2.496 10 0 BEAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000253351456 135126356 /nfs/dbraw/zinc/12/63/56/135126356.db2.gz KGAIZOFHUDAVQA-XQHKEYJVSA-N 0 0 239.359 2.449 10 0 BEAERN CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000255910727 135130879 /nfs/dbraw/zinc/13/08/79/135130879.db2.gz MNRIVUGLYNSCGC-TUAOUCFPSA-N 0 0 249.310 2.021 10 0 BEAERN c1csc(CN2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000269681374 135166404 /nfs/dbraw/zinc/16/64/04/135166404.db2.gz TXDRZVSTRHMXGQ-QWRGUYRKSA-N 0 0 238.356 2.287 10 0 BEAERN Nc1cccc2c1CCCN2CC[C@@H]1CCOC1 ZINC000261897167 135260743 /nfs/dbraw/zinc/26/07/43/135260743.db2.gz VEIVJZUGWLRFSR-GFCCVEGCSA-N 0 0 246.354 2.448 10 0 BEAERN CCC(CC)(CC)C[N@H+](C)CC(=O)[O-] ZINC000263350132 135348005 /nfs/dbraw/zinc/34/80/05/135348005.db2.gz PEGXHSUIASTJFA-UHFFFAOYSA-N 0 0 201.310 2.219 10 0 BEAERN Cc1nocc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000334304856 135348360 /nfs/dbraw/zinc/34/83/60/135348360.db2.gz CGGDQEAZJDHVMG-CHWSQXEVSA-N 0 0 236.315 2.126 10 0 BEAERN Cc1ccc2c(c1)[C@@H]([N@H+](C)CC(=O)[O-])[C@@H](C)C2 ZINC000263447639 135355243 /nfs/dbraw/zinc/35/52/43/135355243.db2.gz YHKRCDSLRSQZIQ-HZMBPMFUSA-N 0 0 233.311 2.245 10 0 BEAERN Cc1coc(C)c1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000334382333 135381010 /nfs/dbraw/zinc/38/10/10/135381010.db2.gz KGVWBQQSZFSNLF-UWVGGRQHSA-N 0 0 237.299 2.146 10 0 BEAERN Cc1ccccc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077206926 135392413 /nfs/dbraw/zinc/39/24/13/135392413.db2.gz MLDWZEORVQIVBS-JSGCOSHPSA-N 0 0 247.338 2.276 10 0 BEAERN CSCCCSc1nnc(N)n1C(C)C ZINC000078971122 135396875 /nfs/dbraw/zinc/39/68/75/135396875.db2.gz ILSQGXWKTMKZIL-UHFFFAOYSA-N 0 0 246.405 2.286 10 0 BEAERN Cc1cccc(C)c1C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000335373266 135411428 /nfs/dbraw/zinc/41/14/28/135411428.db2.gz GMQOHULABHBGGQ-GWCFXTLKSA-N 0 0 247.338 2.146 10 0 BEAERN CCCC(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000343188968 135435616 /nfs/dbraw/zinc/43/56/16/135435616.db2.gz IKGNERSKHRCXPW-NXEZZACHSA-N 0 0 213.321 2.106 10 0 BEAERN C[C@H](Nc1nc(C2CC2)ns1)[C@@H]1CCCO1 ZINC000083653100 135454260 /nfs/dbraw/zinc/45/42/60/135454260.db2.gz PJJTWRYRIHYLDZ-CBAPKCEASA-N 0 0 239.344 2.395 10 0 BEAERN C[C@H](Nc1cnn(C)c(=O)c1Cl)C(C)(C)C ZINC000085705337 135488848 /nfs/dbraw/zinc/48/88/48/135488848.db2.gz NPMCINOTPZXDGK-ZETCQYMHSA-N 0 0 243.738 2.280 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1ncnc2c1CCCC2 ZINC000087308166 135505024 /nfs/dbraw/zinc/50/50/24/135505024.db2.gz KSENUMKVIMSWQQ-KCJUWKMLSA-N 0 0 203.289 2.176 10 0 BEAERN CCC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000334877183 135830752 /nfs/dbraw/zinc/83/07/52/135830752.db2.gz QOYSAAGJZPHOLT-NWDGAFQWSA-N 0 0 237.343 2.347 10 0 BEAERN O=S(=O)(C1CCCCC1)N1C[C@H]2CCC[C@H]21 ZINC000334957043 135850358 /nfs/dbraw/zinc/85/03/58/135850358.db2.gz KWWHBPZLSHJMRO-ZYHUDNBSSA-N 0 0 243.372 2.133 10 0 BEAERN CCc1nc(CN2CCC[C@H](O)[C@@H]2C)cs1 ZINC000335597241 136105650 /nfs/dbraw/zinc/10/56/50/136105650.db2.gz QXWNLHMYSKUBCU-ONGXEEELSA-N 0 0 240.372 2.051 10 0 BEAERN CC(C)CCc1nc2c(c(N)n1)CCC2 ZINC000050844770 166916248 /nfs/dbraw/zinc/91/62/48/166916248.db2.gz NCBXASJQOINYFZ-UHFFFAOYSA-N 0 0 205.305 2.136 10 0 BEAERN CCC1(C(=O)N2CCC[C@H](O)[C@H]2C)CCCC1 ZINC000336233798 397733723 /nfs/dbraw/zinc/73/37/23/397733723.db2.gz MKAOXKMGSWYLIK-NEPJUHHUSA-N 0 0 239.359 2.329 10 0 BEAERN C[C@H](NC(=O)N[C@H]1CCC[C@H]1C)[C@@H]1CCCO1 ZINC000407959490 397796408 /nfs/dbraw/zinc/79/64/08/397796408.db2.gz RYGCUOPUFQYIGO-RHYQMDGZSA-N 0 0 240.347 2.042 10 0 BEAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)nn1C(C)(C)C ZINC000171050848 397946858 /nfs/dbraw/zinc/94/68/58/397946858.db2.gz SYMCMCKYTAEHHA-WPRPVWTQSA-N 0 0 235.331 2.085 10 0 BEAERN CC(C)(C)S(=O)(=O)Nc1ncccc1Cl ZINC000231771356 397950244 /nfs/dbraw/zinc/95/02/44/397950244.db2.gz CIRZMCFKIKWICS-UHFFFAOYSA-N 0 0 248.735 2.275 10 0 BEAERN CS(C)(=O)=NCc1ccc(N)c(Cl)c1 ZINC000307010662 397968016 /nfs/dbraw/zinc/96/80/16/397968016.db2.gz KAFXFIHEAYXBON-UHFFFAOYSA-N 0 0 232.736 2.150 10 0 BEAERN CC(=O)Oc1cccc(CC(=O)C(F)(F)F)c1 ZINC000197166487 397958892 /nfs/dbraw/zinc/95/88/92/397958892.db2.gz JZHOGTMRQWYMRI-UHFFFAOYSA-N 0 0 246.184 2.286 10 0 BEAERN O=Cc1cccc(O)c1OC(F)(F)F ZINC000238723887 397960830 /nfs/dbraw/zinc/96/08/30/397960830.db2.gz JKNHFEIBBYMDGS-UHFFFAOYSA-N 0 0 206.119 2.103 10 0 BEAERN CCOC(=O)c1n[nH]cc1-c1ccc(F)cc1 ZINC000115675628 397890104 /nfs/dbraw/zinc/89/01/04/397890104.db2.gz JYHCVFKLNTXLFO-UHFFFAOYSA-N 0 0 234.230 2.393 10 0 BEAERN CCO[C@H](C)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110455714 397902438 /nfs/dbraw/zinc/90/24/38/397902438.db2.gz NCUYVOFFSPIVRT-KWCYVHTRSA-N 0 0 247.338 2.331 10 0 BEAERN C[C@H]1CSC[C@H]1n1ncc(Cl)c1N ZINC000306866232 397922233 /nfs/dbraw/zinc/92/22/33/397922233.db2.gz NHVQQWUMXBJBPS-CAHLUQPWSA-N 0 0 217.725 2.043 10 0 BEAERN CCC[C@@H]1C[C@@H]1Nc1nc(C(=O)OCC)co1 ZINC000300576220 397995351 /nfs/dbraw/zinc/99/53/51/397995351.db2.gz BYHYTEUSGRJFRB-BDAKNGLRSA-N 0 0 238.287 2.452 10 0 BEAERN COc1csc(-c2nnc(Cl)o2)c1 ZINC000157782381 398046230 /nfs/dbraw/zinc/04/62/30/398046230.db2.gz BWPZPNMTGUXTLP-UHFFFAOYSA-N 0 0 216.649 2.460 10 0 BEAERN C[C@@H](NC(N)=O)c1cccc(Br)c1 ZINC000042295750 398012618 /nfs/dbraw/zinc/01/26/18/398012618.db2.gz NMBVGHQDPYDNKX-ZCFIWIBFSA-N 0 0 243.104 2.178 10 0 BEAERN CCOC(=O)c1c(F)ccc(OC)c1C ZINC000260118509 398046952 /nfs/dbraw/zinc/04/69/52/398046952.db2.gz PXIVLWQMZYNXKP-UHFFFAOYSA-N 0 0 212.220 2.319 10 0 BEAERN Fc1cnc(Cl)nc1-c1cncs1 ZINC000575597865 398015441 /nfs/dbraw/zinc/01/54/41/398015441.db2.gz DRYWKJXHBUYIDK-UHFFFAOYSA-N 0 0 215.640 2.393 10 0 BEAERN CN1CCC[C@@H]1c1nsc(Br)n1 ZINC000575597934 398015510 /nfs/dbraw/zinc/01/55/10/398015510.db2.gz OBYLVCSMYBHOCJ-RXMQYKEDSA-N 0 0 248.149 2.067 10 0 BEAERN C[C@@H]1CC[C@@]1(O)c1cccnc1Br ZINC000575597985 398015524 /nfs/dbraw/zinc/01/55/24/398015524.db2.gz VFBXAMYJYOUTTI-XCBNKYQSSA-N 0 0 242.116 2.462 10 0 BEAERN Cc1ccnc(-n2nccc2Br)c1 ZINC000137313284 397969889 /nfs/dbraw/zinc/96/98/89/397969889.db2.gz YHQRAFXOINQIGE-UHFFFAOYSA-N 0 0 238.088 2.338 10 0 BEAERN COC(=O)c1ccc(Br)c(N)c1C ZINC000575725700 398069067 /nfs/dbraw/zinc/06/90/67/398069067.db2.gz JQFALXQJYJKXFO-UHFFFAOYSA-N 0 0 244.088 2.126 10 0 BEAERN CCOC(=O)Cc1cc(CC)c(C)cc1N ZINC000575724684 398069620 /nfs/dbraw/zinc/06/96/20/398069620.db2.gz POVUXXIOUARLCJ-UHFFFAOYSA-N 0 0 221.300 2.245 10 0 BEAERN Cc1cccc(N)c1CC(=O)OC(C)(C)C ZINC000584594174 398076822 /nfs/dbraw/zinc/07/68/22/398076822.db2.gz KQUHGQFQYAIQRM-UHFFFAOYSA-N 0 0 221.300 2.461 10 0 BEAERN CC[C@@H]1C[C@]1([NH3+])c1ccncc1Br ZINC000307316956 398077236 /nfs/dbraw/zinc/07/72/36/398077236.db2.gz OAKNSZLXFHPCRF-GMSGAONNSA-N 0 0 241.132 2.428 10 0 BEAERN CCCCN1OC(CN)=N[C@@H]1c1ccccc1 ZINC000584613942 398077901 /nfs/dbraw/zinc/07/79/01/398077901.db2.gz OKPSJLQFICJBLI-ZDUSSCGKSA-N 0 0 233.315 2.090 10 0 BEAERN COc1cccc([C@@]23CCC[C@@H](C2)NC(=O)C3)c1 ZINC000584624860 398079720 /nfs/dbraw/zinc/07/97/20/398079720.db2.gz FYBWGUNCZHQAHG-WFASDCNBSA-N 0 0 245.322 2.396 10 0 BEAERN NC(=O)C=C(Nc1cccnc1)c1ccccc1 ZINC000584627435 398080372 /nfs/dbraw/zinc/08/03/72/398080372.db2.gz SHZZOJYANXCEND-UKTHLTGXSA-N 0 0 239.278 2.020 10 0 BEAERN C[C@@H]1CCCCC[C@H]1N(C)C(N)=S ZINC000575490190 398053718 /nfs/dbraw/zinc/05/37/18/398053718.db2.gz YYVXRXVGYCXJLE-RKDXNWHRSA-N 0 0 200.351 2.131 10 0 BEAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCCO1 ZINC000189584548 398058465 /nfs/dbraw/zinc/05/84/65/398058465.db2.gz YCCFJVAMALWYGP-MFKMUULPSA-N 0 0 247.294 2.105 10 0 BEAERN CC(=O)c1cnccc1Br ZINC000095761014 398101030 /nfs/dbraw/zinc/10/10/30/398101030.db2.gz LUDXKDMFATZDSK-UHFFFAOYSA-N 0 0 200.035 2.047 10 0 BEAERN CCOC(=O)Cc1cc(C)c(OC)cc1OC ZINC000261102577 398119916 /nfs/dbraw/zinc/11/99/16/398119916.db2.gz YTYRVBPPOLFHAP-UHFFFAOYSA-N 0 0 238.283 2.118 10 0 BEAERN CCn1c(C)nnc1CN(CC(F)F)C(C)C ZINC000135384825 398134554 /nfs/dbraw/zinc/13/45/54/398134554.db2.gz OELQITHNMXXRBH-UHFFFAOYSA-N 0 0 246.305 2.082 10 0 BEAERN CC(C)C[NH2+]C1(C(=O)[O-])CCC(C)CC1 ZINC000037965333 167000353 /nfs/dbraw/zinc/00/03/53/167000353.db2.gz OBQGFGCLDARCNV-UHFFFAOYSA-N 0 0 213.321 2.266 10 0 BEAERN CC(C)C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000037965293 167011675 /nfs/dbraw/zinc/01/16/75/167011675.db2.gz ACHNEPXLBVFOEQ-JQWIXIFHSA-N 0 0 213.321 2.266 10 0 BEAERN c1ccc2c(c1)OCCN2Cc1ccncc1 ZINC000130241660 322863864 /nfs/dbraw/zinc/86/38/64/322863864.db2.gz RXXCQPBVBCBLAR-UHFFFAOYSA-N 0 0 226.279 2.481 10 0 BEAERN CC(C)COC(=O)C1([NH3+])CCC(C)CC1 ZINC000048634802 167019770 /nfs/dbraw/zinc/01/97/70/167019770.db2.gz NQUIXSWOEFTPMO-UHFFFAOYSA-N 0 0 213.321 2.093 10 0 BEAERN CC(C)NC(=O)CNc1ccc(F)cc1Cl ZINC000020304149 167061406 /nfs/dbraw/zinc/06/14/06/167061406.db2.gz IMKJGFYECJVXLE-UHFFFAOYSA-N 0 0 244.697 2.416 10 0 BEAERN CC(C)NC(=O)[C@H](C)Sc1ccccc1N ZINC000020422228 167083532 /nfs/dbraw/zinc/08/35/32/167083532.db2.gz AJBBZPYQXALCJX-VIFPVBQESA-N 0 0 238.356 2.274 10 0 BEAERN CC(C)NCc1noc(-c2ccccc2)n1 ZINC000051860917 167123111 /nfs/dbraw/zinc/12/31/11/167123111.db2.gz HOTXGEYEZHIRDK-UHFFFAOYSA-N 0 0 217.272 2.235 10 0 BEAERN CC(C)OC(=O)c1c[nH]c2cc(N)ccc12 ZINC000041046601 167171486 /nfs/dbraw/zinc/17/14/86/167171486.db2.gz DIXGBKCVYVKVKY-UHFFFAOYSA-N 0 0 218.256 2.315 10 0 BEAERN Cc1cc(Br)n([C@H]2CCCOC2)n1 ZINC000096984895 177724412 /nfs/dbraw/zinc/72/44/12/177724412.db2.gz VBXABKUQABDBLS-QMMMGPOBSA-N 0 0 245.120 2.306 10 0 BEAERN Clc1snnc1CN1C[C@@H]2CCC[C@H]21 ZINC000674389385 487570112 /nfs/dbraw/zinc/57/01/12/487570112.db2.gz QPCXBEITEKYFTA-POYBYMJQSA-N 0 0 229.736 2.176 10 0 BEAERN CC(C)OCCOc1ccc(F)cc1N ZINC000019869261 167248880 /nfs/dbraw/zinc/24/88/80/167248880.db2.gz NRKSSQMGZXHFCT-UHFFFAOYSA-N 0 0 213.252 2.212 10 0 BEAERN CC(C)OCc1ccc(C(N)=S)cc1F ZINC000019478369 167271196 /nfs/dbraw/zinc/27/11/96/167271196.db2.gz NHTFEICQGXJRDW-UHFFFAOYSA-N 0 0 227.304 2.385 10 0 BEAERN CC(C)Oc1nccnc1N[C@@H]1C[C@@H]1C ZINC000302228754 167315987 /nfs/dbraw/zinc/31/59/87/167315987.db2.gz QZCQBFHOKCMCOK-DTWKUNHWSA-N 0 0 207.277 2.084 10 0 BEAERN CC(C)S(=O)(=O)Nc1ccc(Cl)c(N)c1 ZINC000037657234 167319502 /nfs/dbraw/zinc/31/95/02/167319502.db2.gz BXZVGSKENJDJFR-UHFFFAOYSA-N 0 0 248.735 2.072 10 0 BEAERN CC[C@@H](C)N(C)C(=O)c1ccc(COC)o1 ZINC000127827549 409659824 /nfs/dbraw/zinc/65/98/24/409659824.db2.gz SVINEBCZPPRAPG-SECBINFHSA-N 0 0 225.288 2.297 10 0 BEAERN Cc1nnc(NC(C)(C)COC(C)C)nc1C ZINC000396333500 487610774 /nfs/dbraw/zinc/61/07/74/487610774.db2.gz IEHWXXOBJTVEQG-UHFFFAOYSA-N 0 0 238.335 2.104 10 0 BEAERN O=C(NC1CC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000048667498 409825409 /nfs/dbraw/zinc/82/54/09/409825409.db2.gz SCLIPWYATZQDSM-KGLIPLIRSA-N 0 0 245.322 2.433 10 0 BEAERN OCc1c(O)cc(Br)cc1Cl ZINC000575675456 409903357 /nfs/dbraw/zinc/90/33/57/409903357.db2.gz KFRJLUNGGJHXPL-UHFFFAOYSA-N 0 0 237.480 2.300 10 0 BEAERN Brc1cc2ncncc2s1 ZINC000082370630 166095395 /nfs/dbraw/zinc/09/53/95/166095395.db2.gz MVUQJRQJDGPFJI-UHFFFAOYSA-N 0 0 215.075 2.454 10 0 BEAERN Brc1cc([C@H]2CCCOC2)ncn1 ZINC000072193225 166096498 /nfs/dbraw/zinc/09/64/98/166096498.db2.gz XLOPYCWICKQQDV-ZETCQYMHSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1ccc(-c2ncno2)cc1 ZINC000068592237 166097210 /nfs/dbraw/zinc/09/72/10/166097210.db2.gz LKOQNAZZIVMSNR-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1ccc(C2OCCO2)o1 ZINC000035837425 166098361 /nfs/dbraw/zinc/09/83/61/166098361.db2.gz KMCPUMSKEALUKQ-UHFFFAOYSA-N 0 0 219.034 2.088 10 0 BEAERN Brc1cnc(C2CCOCC2)nc1 ZINC000096134331 166104012 /nfs/dbraw/zinc/10/40/12/166104012.db2.gz AWFXDMOFRNSISC-UHFFFAOYSA-N 0 0 243.104 2.133 10 0 BEAERN Brc1cncc(-c2ncccn2)c1 ZINC000148196319 166104701 /nfs/dbraw/zinc/10/47/01/166104701.db2.gz RLQBACIDRXTOLB-UHFFFAOYSA-N 0 0 236.072 2.301 10 0 BEAERN Brc1ccccc1-c1c[nH]nn1 ZINC000034027814 166100876 /nfs/dbraw/zinc/10/08/76/166100876.db2.gz FMNFGAAZKHHVAD-UHFFFAOYSA-N 0 0 224.061 2.234 10 0 BEAERN Brc1cccc([C@H]2[NH2+]CCO2)c1 ZINC000049821076 166101603 /nfs/dbraw/zinc/10/16/03/166101603.db2.gz ORHALYCGTSDHKA-VIFPVBQESA-N 0 0 228.089 2.068 10 0 BEAERN Brc1cccc(-n2ccnn2)c1 ZINC000083253998 166101927 /nfs/dbraw/zinc/10/19/27/166101927.db2.gz JGBNOFBRGMEHBY-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1ccnc([C@@H]2CCOC2)c1 ZINC000072193044 166103067 /nfs/dbraw/zinc/10/30/67/166103067.db2.gz QRBJKOMUFBGIEV-SSDOTTSWSA-N 0 0 228.089 2.348 10 0 BEAERN Brc1cccnc1-c1ncco1 ZINC000095709602 166103316 /nfs/dbraw/zinc/10/33/16/166103316.db2.gz RRQXRMXXMIAFJI-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN CC1(C)CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000128233746 410194857 /nfs/dbraw/zinc/19/48/57/410194857.db2.gz VWKVYFKGALAPJM-SNVBAGLBSA-N 0 0 225.332 2.108 10 0 BEAERN Brc1cnc(-c2ccoc2)nc1 ZINC000072192022 166104069 /nfs/dbraw/zinc/10/40/69/166104069.db2.gz NHYLAAMMUWKHSJ-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cncc(-n2cccc2)n1 ZINC000044118210 166103956 /nfs/dbraw/zinc/10/39/56/166103956.db2.gz SNUSCTUSSVSFOF-UHFFFAOYSA-N 0 0 224.061 2.030 10 0 BEAERN Brc1cnccc1-c1ncco1 ZINC000095709614 166105916 /nfs/dbraw/zinc/10/59/16/166105916.db2.gz ILRHWLVUCAWVKX-UHFFFAOYSA-N 0 0 225.045 2.499 10 0 BEAERN Brc1cnccc1OC1CC1 ZINC000095709736 166106599 /nfs/dbraw/zinc/10/65/99/166106599.db2.gz HQPFCTXOWFTVMQ-UHFFFAOYSA-N 0 0 214.062 2.385 10 0 BEAERN Brc1cnnc2ccccc12 ZINC000141674967 166107035 /nfs/dbraw/zinc/10/70/35/166107035.db2.gz WATZHFGXQWYUJM-UHFFFAOYSA-N 0 0 209.046 2.392 10 0 BEAERN CCCc1nccnc1N[C@H](C)CC(C)(C)O ZINC000663957095 410401724 /nfs/dbraw/zinc/40/17/24/410401724.db2.gz KPLHJHHREWSURL-SNVBAGLBSA-N 0 0 237.347 2.391 10 0 BEAERN CC(C)(C)CC(=O)NC(=S)NC1CCCC1 ZINC000040902107 166547468 /nfs/dbraw/zinc/54/74/68/166547468.db2.gz MTGGSWKQMNYXBL-UHFFFAOYSA-N 0 0 242.388 2.356 10 0 BEAERN CC(C)(C)CNC(=O)c1cc(N)ccc1F ZINC000040494525 166585391 /nfs/dbraw/zinc/58/53/91/166585391.db2.gz XMUGOLATJSOFPK-UHFFFAOYSA-N 0 0 224.279 2.184 10 0 BEAERN CC(C)(C)[C@@H](C(=O)[O-])[NH+]1CCCCCC1 ZINC000041051932 166691803 /nfs/dbraw/zinc/69/18/03/166691803.db2.gz UNFFRWSJBOSBTQ-SNVBAGLBSA-N 0 0 213.321 2.362 10 0 BEAERN CC(C)CCNC(=O)c1ccc(O)cc1 ZINC000019838561 166855801 /nfs/dbraw/zinc/85/58/01/166855801.db2.gz BNGPRIYCBMCBDG-UHFFFAOYSA-N 0 0 207.273 2.168 10 0 BEAERN CC(C)CCOc1ncnc(Cl)c1N ZINC000062364938 166884124 /nfs/dbraw/zinc/88/41/24/166884124.db2.gz YZEPTAPHTWXOQW-UHFFFAOYSA-N 0 0 215.684 2.137 10 0 BEAERN CC(C)CCn1c2cc(N)ccc2oc1=O ZINC000035328733 166919209 /nfs/dbraw/zinc/91/92/09/166919209.db2.gz JZCRJDLWGNVSDT-UHFFFAOYSA-N 0 0 220.272 2.223 10 0 BEAERN CC(C)CNc1cc(C(N)=O)c(F)cc1F ZINC000036920661 167015614 /nfs/dbraw/zinc/01/56/14/167015614.db2.gz KIKAZZAWPOOKJI-UHFFFAOYSA-N 0 0 228.242 2.132 10 0 BEAERN CC(C)COC(=O)N(CCO)C1CCCCC1 ZINC000057362680 167021165 /nfs/dbraw/zinc/02/11/65/167021165.db2.gz JASQVOJRLLDKND-UHFFFAOYSA-N 0 0 243.347 2.406 10 0 BEAERN CC(C)NC(=O)CSc1ccc(N)cc1F ZINC000037194541 167063588 /nfs/dbraw/zinc/06/35/88/167063588.db2.gz KOLGHWZSJJQACI-UHFFFAOYSA-N 0 0 242.319 2.025 10 0 BEAERN CC(C)NC(=O)Nc1c(N)cccc1Cl ZINC000050352878 167076816 /nfs/dbraw/zinc/07/68/16/167076816.db2.gz XQTSHJOYFNXPCS-UHFFFAOYSA-N 0 0 227.695 2.452 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Nc1ccccc1 ZINC000020304399 167081255 /nfs/dbraw/zinc/08/12/55/167081255.db2.gz UZSSAYLNFQPWAL-SNVBAGLBSA-N 0 0 206.289 2.012 10 0 BEAERN CC(C)NC(=O)[C@@H](C)Sc1ccc(N)cc1 ZINC000037182358 167082910 /nfs/dbraw/zinc/08/29/10/167082910.db2.gz BSARLSRPMNNQSD-SECBINFHSA-N 0 0 238.356 2.274 10 0 BEAERN CC(C)NC(=S)c1ccc(N(C)C)cc1 ZINC000097673661 167091930 /nfs/dbraw/zinc/09/19/30/167091930.db2.gz UYIOEMQNYPOXES-UHFFFAOYSA-N 0 0 222.357 2.426 10 0 BEAERN CC(C)Nc1ccc(C(N)=S)cc1F ZINC000036887102 167143916 /nfs/dbraw/zinc/14/39/16/167143916.db2.gz VQDLJSDNBRYAOG-UHFFFAOYSA-N 0 0 212.293 2.280 10 0 BEAERN CC(C)Nc1nc2ncc(C=O)cc2s1 ZINC000089229594 167150621 /nfs/dbraw/zinc/15/06/21/167150621.db2.gz XDWLJTCWOGIHDI-UHFFFAOYSA-N 0 0 221.285 2.324 10 0 BEAERN CC(C)Nc1nnc([C@@H]2CCCO2)s1 ZINC000041651091 167151288 /nfs/dbraw/zinc/15/12/88/167151288.db2.gz YLXAAHILGZEMCH-ZETCQYMHSA-N 0 0 213.306 2.210 10 0 BEAERN CC(C)OC(=O)Nc1ccc(N)cc1F ZINC000044238867 167165533 /nfs/dbraw/zinc/16/55/33/167165533.db2.gz ICTQDXPNUNSPEV-UHFFFAOYSA-N 0 0 212.224 2.365 10 0 BEAERN CC(C)OCCC(=O)N1CCCC1(C)C ZINC000102918708 167195310 /nfs/dbraw/zinc/19/53/10/167195310.db2.gz HRJLZXIQZLDICZ-UHFFFAOYSA-N 0 0 213.321 2.203 10 0 BEAERN CC(C)OCCCC(=O)Nc1cccc(N)c1 ZINC000019277460 167204623 /nfs/dbraw/zinc/20/46/23/167204623.db2.gz FAIKKPLZZGUBGE-UHFFFAOYSA-N 0 0 236.315 2.413 10 0 BEAERN CC(C)OCc1ccc(C(N)=S)cc1 ZINC000019502264 167272569 /nfs/dbraw/zinc/27/25/69/167272569.db2.gz IPBYQNKWRLMHBG-UHFFFAOYSA-N 0 0 209.314 2.246 10 0 BEAERN CC(C)O[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000054036105 167283414 /nfs/dbraw/zinc/28/34/14/167283414.db2.gz USSANGGUUZYUOT-MRVPVSSYSA-N 0 0 240.278 2.160 10 0 BEAERN CC(C)Oc1cc(OC2CC2)cc(C=O)n1 ZINC000095741700 167289020 /nfs/dbraw/zinc/28/90/20/167289020.db2.gz RKDMAFULUONVPA-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1ccc(NC[C@H](C)C(N)=O)cc1 ZINC000037227434 167296780 /nfs/dbraw/zinc/29/67/80/167296780.db2.gz GSCRWVGVUZIEQY-JTQLQIEISA-N 0 0 236.315 2.007 10 0 BEAERN CC(C)Oc1ccc(NN)cc1Cl ZINC000082589117 167297449 /nfs/dbraw/zinc/29/74/49/167297449.db2.gz XGVYBJPWCJSFIX-UHFFFAOYSA-N 0 0 200.669 2.413 10 0 BEAERN CC(C)Oc1nc(Cl)nc(N[C@@H]2C[C@H]2C)n1 ZINC000061542343 167311858 /nfs/dbraw/zinc/31/18/58/167311858.db2.gz PBGCTKDKNKZKOY-RNFRBKRXSA-N 0 0 242.710 2.133 10 0 BEAERN CC(C)Oc1cnc(C=O)cc1OC1CC1 ZINC000095738230 167312464 /nfs/dbraw/zinc/31/24/64/167312464.db2.gz JCWMWRNLSKPNPB-UHFFFAOYSA-N 0 0 221.256 2.223 10 0 BEAERN CC(C)Oc1nc(N2C[C@H]3CC[C@@H]2C3)ccc1N ZINC000049716114 167312617 /nfs/dbraw/zinc/31/26/17/167312617.db2.gz SYLSSXFDNSZXGX-WDEREUQCSA-N 0 0 247.342 2.440 10 0 BEAERN CC(C)Oc1ncccc1NC[C@H]1CCOC1 ZINC000042391936 167314751 /nfs/dbraw/zinc/31/47/51/167314751.db2.gz UNBAUOBMCXLZRZ-LLVKDONJSA-N 0 0 236.315 2.317 10 0 BEAERN CC(C)Oc1ncnc(NC(C)(C)C)c1N ZINC000040680660 167315139 /nfs/dbraw/zinc/31/51/39/167315139.db2.gz HEZKRXUEEQBALU-UHFFFAOYSA-N 0 0 224.308 2.056 10 0 BEAERN CC(C)Sc1ccc(C[NH2+]CC(=O)[O-])cc1 ZINC000107291503 167337404 /nfs/dbraw/zinc/33/74/04/167337404.db2.gz ABNWVFIGCOBBLW-UHFFFAOYSA-N 0 0 239.340 2.361 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(F)cc1 ZINC000033468507 167343879 /nfs/dbraw/zinc/34/38/79/167343879.db2.gz QLBVJFPRSUXGBP-LBPRGKRZSA-N 0 0 239.290 2.367 10 0 BEAERN CC(C)[C@@H](C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000061820538 167345568 /nfs/dbraw/zinc/34/55/68/167345568.db2.gz QZZGPROYMQDUPL-JTQLQIEISA-N 0 0 213.321 2.218 10 0 BEAERN CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177786701 167348392 /nfs/dbraw/zinc/34/83/92/167348392.db2.gz GLNPDINBCZWNJC-CHWSQXEVSA-N 0 0 249.358 2.166 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CC[C@@H]1CCCCO1 ZINC000110167144 167371638 /nfs/dbraw/zinc/37/16/38/167371638.db2.gz WIDAJISLZCROTK-NEPJUHHUSA-N 0 0 227.348 2.496 10 0 BEAERN CC(C)[C@@H](C)NC(=O)CCc1cccc(N)c1 ZINC000037222597 167373835 /nfs/dbraw/zinc/37/38/35/167373835.db2.gz OLLVFEUYDJEIRM-LLVKDONJSA-N 0 0 234.343 2.362 10 0 BEAERN CC(C)[C@@H](C)NC(=O)c1sccc1N ZINC000040302386 167380963 /nfs/dbraw/zinc/38/09/63/167380963.db2.gz VREFYIFWEWERGV-SSDOTTSWSA-N 0 0 212.318 2.105 10 0 BEAERN CC(C)[C@@H](C)Nc1cc(C(N)=O)ccc1F ZINC000037013342 167385196 /nfs/dbraw/zinc/38/51/96/167385196.db2.gz DMOXUCYOMFTXIT-MRVPVSSYSA-N 0 0 224.279 2.381 10 0 BEAERN CC(C)[C@@H](C)Nc1ccc(C(N)=S)cn1 ZINC000020523604 167385832 /nfs/dbraw/zinc/38/58/32/167385832.db2.gz OLXCTYFFAYZSPC-MRVPVSSYSA-N 0 0 223.345 2.172 10 0 BEAERN COc1ccccc1C1(NC(=O)C(C)C)CC1 ZINC000041534343 410925977 /nfs/dbraw/zinc/92/59/77/410925977.db2.gz VUUHKAQSPNQRLK-UHFFFAOYSA-N 0 0 233.311 2.457 10 0 BEAERN CC(C)[C@@H]1C([N+](=O)[O-])=NC=C[C@H]1OC1CC1 ZINC000095723167 167465908 /nfs/dbraw/zinc/46/59/08/167465908.db2.gz XPJPTMHUSMOFEP-ZJUUUORDSA-N 0 0 224.260 2.009 10 0 BEAERN Cc1cc(N)cc(CNc2cc(C)nc(C)n2)c1 ZINC000398847860 410993600 /nfs/dbraw/zinc/99/36/00/410993600.db2.gz MBWGHQVFMLUQLE-UHFFFAOYSA-N 0 0 242.326 2.018 10 0 BEAERN CC(C)c1cccc(OCc2nnc(N)o2)c1 ZINC000026473083 167634112 /nfs/dbraw/zinc/63/41/12/167634112.db2.gz AIPIIAYSSNTDNW-UHFFFAOYSA-N 0 0 233.271 2.354 10 0 BEAERN CC(C)c1cccc(OC2CC2)c1C(N)=O ZINC000095723706 167634424 /nfs/dbraw/zinc/63/44/24/167634424.db2.gz DHVJRACIHYKRGN-UHFFFAOYSA-N 0 0 219.284 2.450 10 0 BEAERN CC(C)c1cccc(OCCC(=O)CO)c1 ZINC000071524389 167634760 /nfs/dbraw/zinc/63/47/60/167634760.db2.gz GYWXZLVFAKWVFO-UHFFFAOYSA-N 0 0 222.284 2.140 10 0 BEAERN Cc1cc(C)n(CC(=O)NCCC2CCCC2)n1 ZINC000044705943 411139641 /nfs/dbraw/zinc/13/96/41/411139641.db2.gz COVVCDNWOCWQGF-UHFFFAOYSA-N 0 0 249.358 2.196 10 0 BEAERN CC[NH+](CC)[C@]1(C(=O)[O-])CCCC[C@@H]1C ZINC000037360565 169802369 /nfs/dbraw/zinc/80/23/69/169802369.db2.gz OJCBLKGGBIPWNH-CMPLNLGQSA-N 0 0 213.321 2.362 10 0 BEAERN CO[C@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044232 411181638 /nfs/dbraw/zinc/18/16/38/411181638.db2.gz BZPFZEIBMUWXRH-GHMZBOCLSA-N 0 0 237.299 2.368 10 0 BEAERN CO[C@H](CNC(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000246214688 411203612 /nfs/dbraw/zinc/20/36/12/411203612.db2.gz OXEVODOFDJULNQ-KGYLQXTDSA-N 0 0 248.326 2.082 10 0 BEAERN CC(C)n1ccnc1CS[C@H](C)[C@@H](C)O ZINC000266242127 167776763 /nfs/dbraw/zinc/77/67/63/167776763.db2.gz MUEKPJMPOXFYTK-NXEZZACHSA-N 0 0 228.361 2.467 10 0 BEAERN Cc1cccc(CNC(=O)c2cccc(F)c2)n1 ZINC000048736531 411212071 /nfs/dbraw/zinc/21/20/71/411212071.db2.gz YJZNLTCEQLEYPT-UHFFFAOYSA-N 0 0 244.269 2.459 10 0 BEAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1cscn1 ZINC000049050056 411224342 /nfs/dbraw/zinc/22/43/42/411224342.db2.gz BMXUWVUPWZRTKO-SECBINFHSA-N 0 0 241.360 2.329 10 0 BEAERN CCc1cc(NC(=O)c2cc(C(C)C)[nH]n2)n[nH]1 ZINC000049139414 411226708 /nfs/dbraw/zinc/22/67/08/411226708.db2.gz MWBZJCWFDQMNKG-UHFFFAOYSA-N 0 0 247.302 2.071 10 0 BEAERN CCc1cc(NC(=O)CC(C)(C)C)n[nH]1 ZINC000049138940 411226908 /nfs/dbraw/zinc/22/69/08/411226908.db2.gz CGVZLXDSIKAORF-UHFFFAOYSA-N 0 0 209.293 2.347 10 0 BEAERN CC(Cl)(Cl)C(=O)OCc1cncs1 ZINC000129930927 167808362 /nfs/dbraw/zinc/80/83/62/167808362.db2.gz LHCGORJGMKZQDO-UHFFFAOYSA-N 0 0 240.111 2.380 10 0 BEAERN CC(C)N1CC[C@@H](CO)c2ccccc21 ZINC000616587312 411293666 /nfs/dbraw/zinc/29/36/66/411293666.db2.gz PWAUSXWWUUMNHI-NSHDSACASA-N 0 0 205.301 2.381 10 0 BEAERN COC(=O)C1CCC2(CCC(=O)CC2)CC1 ZINC000575441377 411298027 /nfs/dbraw/zinc/29/80/27/411298027.db2.gz JKZCDOFNRHERNP-UHFFFAOYSA-N 0 0 224.300 2.479 10 0 BEAERN CC1(C)CCC(NC(=O)c2cnsn2)CC1 ZINC000128031122 167890719 /nfs/dbraw/zinc/89/07/19/167890719.db2.gz IWBGVKAFKMAMCG-UHFFFAOYSA-N 0 0 239.344 2.237 10 0 BEAERN CC(C)[C@H](C)NC(=O)Cc1cn2ccccc2n1 ZINC000068376556 411305951 /nfs/dbraw/zinc/30/59/51/411305951.db2.gz YKKXHHKVZRGUSK-NSHDSACASA-N 0 0 245.326 2.038 10 0 BEAERN C[C@@H]1[C@@H](O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447692 411306332 /nfs/dbraw/zinc/30/63/32/411306332.db2.gz GRGUTZRHELOISE-GBIKHYSHSA-N 0 0 241.331 2.014 10 0 BEAERN C[C@@H]1CCC[C@H](NC(=O)c2ncccc2N)[C@@H]1C ZINC000132293581 411317656 /nfs/dbraw/zinc/31/76/56/411317656.db2.gz ZQLLLXMPBZJZAE-FOGDFJRCSA-N 0 0 247.342 2.218 10 0 BEAERN C[C@H]1CC[C@H](C)N(Cc2csnn2)C1 ZINC000127781954 411252409 /nfs/dbraw/zinc/25/24/09/411252409.db2.gz XKZIGYIRYRCFRP-IUCAKERBSA-N 0 0 211.334 2.159 10 0 BEAERN CC1CCC(C(=O)[O-])([NH+]2CCCC2)CC1 ZINC000037359758 168148871 /nfs/dbraw/zinc/14/88/71/168148871.db2.gz WYAIOQDAANAQOS-UHFFFAOYSA-N 0 0 211.305 2.116 10 0 BEAERN CC1CCN(C(=O)N2CCSC[C@H]2C)CC1 ZINC000127435533 168173787 /nfs/dbraw/zinc/17/37/87/168173787.db2.gz WBTPNPXERFXFGB-LLVKDONJSA-N 0 0 242.388 2.276 10 0 BEAERN CC1CCN(C(=O)N2CCCc3n[nH]cc32)CC1 ZINC000329863692 168173861 /nfs/dbraw/zinc/17/38/61/168173861.db2.gz ZIKIGAOKXVOEFT-UHFFFAOYSA-N 0 0 248.330 2.014 10 0 BEAERN CC1CC[NH+]([C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000062749943 168187467 /nfs/dbraw/zinc/18/74/67/168187467.db2.gz RQINSGDKJQGRHO-RYUDHWBXSA-N 0 0 225.332 2.362 10 0 BEAERN CCC(=O)CCC1(C)C(=O)CCCC1=O ZINC000008311681 168198108 /nfs/dbraw/zinc/19/81/08/168198108.db2.gz ZARBRIHTWIAEBW-UHFFFAOYSA-N 0 0 210.273 2.074 10 0 BEAERN CCC(=O)NCCn1ccc2ccccc21 ZINC000004060451 168229821 /nfs/dbraw/zinc/22/98/21/168229821.db2.gz KQFWEBJWZNOFEJ-UHFFFAOYSA-N 0 0 216.284 2.168 10 0 BEAERN CCC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000128826484 168236206 /nfs/dbraw/zinc/23/62/06/168236206.db2.gz HJBTURRSNCZYLY-ONGXEEELSA-N 0 0 219.284 2.077 10 0 BEAERN CCC(=O)N[C@H](C)COCc1ccccc1 ZINC000172959178 168239024 /nfs/dbraw/zinc/23/90/24/168239024.db2.gz TUDLKYLNEQESKM-LLVKDONJSA-N 0 0 221.300 2.118 10 0 BEAERN CCC(=O)[C@H](C)Cn1nnc2ccccc21 ZINC000005307470 168252687 /nfs/dbraw/zinc/25/26/87/168252687.db2.gz KBPZTFKIKKDMJP-SECBINFHSA-N 0 0 217.272 2.047 10 0 BEAERN CCC(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000095835828 168254762 /nfs/dbraw/zinc/25/47/62/168254762.db2.gz XQCVPLGVTDEFEV-UHFFFAOYSA-N 0 0 229.279 2.115 10 0 BEAERN CCC(=O)c1ccc(OCCC(=O)N(C)C)cc1 ZINC000037897984 168256125 /nfs/dbraw/zinc/25/61/25/168256125.db2.gz KKMOUBJJNKTULP-UHFFFAOYSA-N 0 0 249.310 2.136 10 0 BEAERN CCC(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000000013845 168258068 /nfs/dbraw/zinc/25/80/68/168258068.db2.gz FNTVLJBACRTHSY-UHFFFAOYSA-N 0 0 207.254 2.182 10 0 BEAERN CCC(=O)c1ccccc1O[C@@H](C)[C@H](C)O ZINC000087131028 168258668 /nfs/dbraw/zinc/25/86/68/168258668.db2.gz VMHNGHZAEJOSDO-UWVGGRQHSA-N 0 0 222.284 2.427 10 0 BEAERN O[C@@H]1CCOc2cc(Br)c(F)cc21 ZINC000137741031 411385500 /nfs/dbraw/zinc/38/55/00/411385500.db2.gz NWWUZSIJFDHFJG-MRVPVSSYSA-N 0 0 247.063 2.404 10 0 BEAERN CCC(C)(C)C(=O)N(C)c1ccncc1N ZINC000054401582 168262576 /nfs/dbraw/zinc/26/25/76/168262576.db2.gz ZIGSTSLVSUCZHB-UHFFFAOYSA-N 0 0 221.304 2.063 10 0 BEAERN CCC(C)(C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116120394 168263070 /nfs/dbraw/zinc/26/30/70/168263070.db2.gz LSBODGWGJSMOIR-LLVKDONJSA-N 0 0 249.358 2.172 10 0 BEAERN CCC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000340274782 168274259 /nfs/dbraw/zinc/27/42/59/168274259.db2.gz HGIGDFLIQDCXJJ-VXGBXAGGSA-N 0 0 241.375 2.480 10 0 BEAERN CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054853343 411387387 /nfs/dbraw/zinc/38/73/87/411387387.db2.gz XPZKFECHPOKWJC-OLZOCXBDSA-N 0 0 233.311 2.290 10 0 BEAERN CCC(C)(C)NC(=O)CN(C)c1cccc(N)c1 ZINC000049282058 168290891 /nfs/dbraw/zinc/29/08/91/168290891.db2.gz NOQXKLHVVJZIGH-UHFFFAOYSA-N 0 0 249.358 2.010 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(O)cc1 ZINC000019836973 168296572 /nfs/dbraw/zinc/29/65/72/168296572.db2.gz UNWLUXGKLKATIL-UHFFFAOYSA-N 0 0 207.273 2.311 10 0 BEAERN CCC(C)(C)NC(=O)c1ccc(OC)c(N)c1 ZINC000021962690 168296881 /nfs/dbraw/zinc/29/68/81/168296881.db2.gz WGFVTTAJTPPDMA-UHFFFAOYSA-N 0 0 236.315 2.196 10 0 BEAERN CCC(C)(C)NC(=O)c1cccc(NC)n1 ZINC000051069072 168298076 /nfs/dbraw/zinc/29/80/76/168298076.db2.gz REJOTWCNZFNWDU-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCC(C)(C)Nc1ccc(N)c2nonc21 ZINC000035675473 168302396 /nfs/dbraw/zinc/30/23/96/168302396.db2.gz CXKVUWFBISJTRM-UHFFFAOYSA-N 0 0 220.276 2.406 10 0 BEAERN CCC(C)(CC)NC(=O)[C@@H](C)SC ZINC000112827577 168308346 /nfs/dbraw/zinc/30/83/46/168308346.db2.gz JINSQJYQAJKFBM-MRVPVSSYSA-N 0 0 203.351 2.433 10 0 BEAERN Cc1nccc(N[C@@H]2CNc3ccccc3C2)n1 ZINC000404440271 411396127 /nfs/dbraw/zinc/39/61/27/411396127.db2.gz JOJZSDHWVWAKIA-LBPRGKRZSA-N 0 0 240.310 2.234 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@H]2CCC[C@@H]2O)n1 ZINC000122482654 411432599 /nfs/dbraw/zinc/43/25/99/411432599.db2.gz PSVMXLALIIYUJS-YPMHNXCESA-N 0 0 249.358 2.481 10 0 BEAERN Cc1cc(C(C)C)nc(NC[C@H]2CCC[C@H]2O)n1 ZINC000122483083 411433435 /nfs/dbraw/zinc/43/34/35/411433435.db2.gz PSVMXLALIIYUJS-DGCLKSJQSA-N 0 0 249.358 2.481 10 0 BEAERN CCN(C[C@H]1CCOC1)c1ccccc1N ZINC000050454067 169899936 /nfs/dbraw/zinc/89/99/36/169899936.db2.gz GLZPXAPVADQXEG-LLVKDONJSA-N 0 0 220.316 2.132 10 0 BEAERN CCN(c1cc(C(N)=O)ccc1N)C1CCCC1 ZINC000103958267 169941376 /nfs/dbraw/zinc/94/13/76/169941376.db2.gz INLGHOAAKHQCFA-UHFFFAOYSA-N 0 0 247.342 2.137 10 0 BEAERN CCN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119019080 170006431 /nfs/dbraw/zinc/00/64/31/170006431.db2.gz ASAODNAKNBJYTH-ZDUSSCGKSA-N 0 0 221.300 2.088 10 0 BEAERN CCN1C[C@H]([NH2+]Cc2occc2C)[C@@H](C)C1 ZINC000336782160 170037043 /nfs/dbraw/zinc/03/70/43/170037043.db2.gz WURMNDQWIGHFNY-RYUDHWBXSA-N 0 0 222.332 2.018 10 0 BEAERN CCN1Cc2cccc(Br)c2C1=O ZINC000238273547 170040308 /nfs/dbraw/zinc/04/03/08/170040308.db2.gz WPSDLSNPMJLMQL-UHFFFAOYSA-N 0 0 240.100 2.425 10 0 BEAERN CCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21 ZINC000040295604 170070665 /nfs/dbraw/zinc/07/06/65/170070665.db2.gz XIJLMQFZYJAWDN-UHFFFAOYSA-N 0 0 245.326 2.098 10 0 BEAERN CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176365752 170073623 /nfs/dbraw/zinc/07/36/23/170073623.db2.gz GIIWJSCAWBCOIM-VIFPVBQESA-N 0 0 239.344 2.400 10 0 BEAERN CCNC(=O)[C@@H](C)Nc1ccc(Cl)cc1F ZINC000042212241 170089374 /nfs/dbraw/zinc/08/93/74/170089374.db2.gz BSEXJTNPAQOFNZ-SSDOTTSWSA-N 0 0 244.697 2.416 10 0 BEAERN CCNC(=O)[C@H](C)Nc1ccc(F)cc1C ZINC000020306779 170096422 /nfs/dbraw/zinc/09/64/22/170096422.db2.gz VXTKSVOBYYDNLA-VIFPVBQESA-N 0 0 224.279 2.071 10 0 BEAERN CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109079859 170099615 /nfs/dbraw/zinc/09/96/15/170099615.db2.gz IBXQXQKPDSUISM-IUCAKERBSA-N 0 0 225.238 2.204 10 0 BEAERN CCNC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000040292360 170100384 /nfs/dbraw/zinc/10/03/84/170100384.db2.gz NHRFCAPUGWTYEH-UHFFFAOYSA-N 0 0 233.098 2.325 10 0 BEAERN CCNC(=O)c1cc(NCC2CCCC2)ccn1 ZINC000035674099 170100789 /nfs/dbraw/zinc/10/07/89/170100789.db2.gz UOJBWWYCDMPFRA-UHFFFAOYSA-N 0 0 247.342 2.433 10 0 BEAERN CCNC(=O)c1ccc(N)c(N(C)[C@@H](C)CC)c1 ZINC000103956625 170101550 /nfs/dbraw/zinc/10/15/50/170101550.db2.gz OJVZCLOQFWREHR-JTQLQIEISA-N 0 0 249.358 2.253 10 0 BEAERN CC[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000037181850 170138125 /nfs/dbraw/zinc/13/81/25/170138125.db2.gz OOQIEEJLBSLLTN-SECBINFHSA-N 0 0 213.664 2.075 10 0 BEAERN CCN[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000037446938 170155741 /nfs/dbraw/zinc/15/57/41/170155741.db2.gz YPFIEWWSZOJQPX-JTQLQIEISA-N 0 0 227.691 2.164 10 0 BEAERN CCN[C@H](C)c1csc(NC(=O)CC)n1 ZINC000076784997 170160375 /nfs/dbraw/zinc/16/03/75/170160375.db2.gz JDIIOOMNZGUDOF-SSDOTTSWSA-N 0 0 227.333 2.162 10 0 BEAERN CC[NH2+][C@H](CCOC1CCCCCC1)C(=O)[O-] ZINC000062541159 170161578 /nfs/dbraw/zinc/16/15/78/170161578.db2.gz VMWWBPCINUWPGI-GFCCVEGCSA-N 0 0 243.347 2.179 10 0 BEAERN Cc1c(C[NH2+]C[C@@H](C)c2ccccn2)cnn1C ZINC000657536318 411545694 /nfs/dbraw/zinc/54/56/94/411545694.db2.gz VPVSWXIZBUDUSX-LLVKDONJSA-N 0 0 244.342 2.017 10 0 BEAERN CCN[C@H](c1ccsc1)c1nccn1C ZINC000041048672 170165352 /nfs/dbraw/zinc/16/53/52/170165352.db2.gz BNXIUJAKANRVCI-SNVBAGLBSA-N 0 0 221.329 2.181 10 0 BEAERN CC[NH2+][C@H]1c2c(cc(F)cc2F)O[C@H]1C ZINC000054932069 170169568 /nfs/dbraw/zinc/16/95/68/170169568.db2.gz LVHJZZCWWDHWDR-UPONEAKYSA-N 0 0 213.227 2.396 10 0 BEAERN CC[NH2+][C@]1(C(=O)[O-])C[C@H](C)CC(C)(C)C1 ZINC000037181619 170170566 /nfs/dbraw/zinc/17/05/66/170170566.db2.gz HUBYCANCIPUNHQ-BXKDBHETSA-N 0 0 213.321 2.266 10 0 BEAERN CC[NH2+][C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000037181465 170170735 /nfs/dbraw/zinc/17/07/35/170170735.db2.gz AJNKHTGNNJPKDB-NSHDSACASA-N 0 0 227.691 2.249 10 0 BEAERN CCNc1cc(-c2nnco2)ccc1C ZINC000037014756 170171048 /nfs/dbraw/zinc/17/10/48/170171048.db2.gz LHFXELSUCXMYIV-UHFFFAOYSA-N 0 0 203.245 2.477 10 0 BEAERN CCNc1cc(C(=O)NC(C)(C)C)ccn1 ZINC000050724776 170171584 /nfs/dbraw/zinc/17/15/84/170171584.db2.gz FIZJWEIEQOHDPV-UHFFFAOYSA-N 0 0 221.304 2.042 10 0 BEAERN CCNc1cc(C)nc(C2CCOCC2)n1 ZINC000052177135 170172178 /nfs/dbraw/zinc/17/21/78/170172178.db2.gz VIQWLVPUVWOGIS-UHFFFAOYSA-N 0 0 221.304 2.111 10 0 BEAERN CCNc1cc(CN2C[C@@H](C)OC[C@@H]2C)ccn1 ZINC000052720723 170172474 /nfs/dbraw/zinc/17/24/74/170172474.db2.gz BXCYYTGETXVFPR-NWDGAFQWSA-N 0 0 249.358 2.123 10 0 BEAERN CCNc1ccc(Cl)c(Cn2ccnc2)n1 ZINC000061639247 170173684 /nfs/dbraw/zinc/17/36/84/170173684.db2.gz MHOMUTJJSWHTOH-UHFFFAOYSA-N 0 0 236.706 2.412 10 0 BEAERN CCNc1ccc(N)c(OC(C)(C)C)n1 ZINC000037066746 170174323 /nfs/dbraw/zinc/17/43/23/170174323.db2.gz AAWACGTYHZEHLG-UHFFFAOYSA-N 0 0 209.293 2.273 10 0 BEAERN CCNc1ccnc(C(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000071211462 170175143 /nfs/dbraw/zinc/17/51/43/170175143.db2.gz JHFPGCKHFKIKJC-JQWIXIFHSA-N 0 0 247.342 2.432 10 0 BEAERN CCNc1nc(Cc2ccccc2F)no1 ZINC000053750262 170176354 /nfs/dbraw/zinc/17/63/54/170176354.db2.gz FOCCMCCTRYGCIC-UHFFFAOYSA-N 0 0 221.235 2.231 10 0 BEAERN CCNc1nc(Cc2cc(F)cc(F)c2)no1 ZINC000053750264 170176445 /nfs/dbraw/zinc/17/64/45/170176445.db2.gz RWOYCLMCKJIAGO-UHFFFAOYSA-N 0 0 239.225 2.370 10 0 BEAERN CCNc1nc2c(cc1C(N)=S)CCCC2 ZINC000043410751 170177314 /nfs/dbraw/zinc/17/73/14/170177314.db2.gz FXGGSDIDJCLBNX-UHFFFAOYSA-N 0 0 235.356 2.026 10 0 BEAERN CCNc1ncccc1C(=O)N1CCC[C@@H](C)C1 ZINC000050726389 170178330 /nfs/dbraw/zinc/17/83/30/170178330.db2.gz KQXOXINXQSTZTE-LLVKDONJSA-N 0 0 247.342 2.386 10 0 BEAERN CCOC(=N)[C@@H](O)c1ccccc1Cl ZINC000039135030 170180014 /nfs/dbraw/zinc/18/00/14/170180014.db2.gz BMEBLMVVWQKBNO-VIFPVBQESA-N 0 0 213.664 2.387 10 0 BEAERN CCOC(=N)[C@@H](O)c1cc(OC)cc(F)c1C ZINC000039135038 170180444 /nfs/dbraw/zinc/18/04/44/170180444.db2.gz OEIQYKQBEYFVCD-NSHDSACASA-N 0 0 241.262 2.190 10 0 BEAERN CCOC(=O)C=C(N)Nc1ccc(Cl)cc1 ZINC000100286263 170182572 /nfs/dbraw/zinc/18/25/72/170182572.db2.gz JZDYSHZCGOIOAE-YFHOEESVSA-N 0 0 240.690 2.115 10 0 BEAERN CCOC(=O)C(C)(C)NCc1ccccc1C ZINC000102826621 170187461 /nfs/dbraw/zinc/18/74/61/170187461.db2.gz AYFFNGXUYACLHO-UHFFFAOYSA-N 0 0 235.327 2.426 10 0 BEAERN CCOC(=O)C(F)(F)Cc1ccc(OC)cc1 ZINC000034571086 170187968 /nfs/dbraw/zinc/18/79/68/170187968.db2.gz KMONEYPZWPXIJO-UHFFFAOYSA-N 0 0 244.237 2.436 10 0 BEAERN CCOC(=O)C(F)(F)[C@@](C)(O)c1ccccc1 ZINC000036406055 170188022 /nfs/dbraw/zinc/18/80/22/170188022.db2.gz ILFQGBWKIKNCCJ-NSHDSACASA-N 0 0 244.237 2.093 10 0 BEAERN CCOC(=O)C(CC=C(C)C)C(=O)OCC ZINC000005650504 170188369 /nfs/dbraw/zinc/18/83/69/170188369.db2.gz UXBLYMUHQJDAFO-UHFFFAOYSA-N 0 0 228.288 2.085 10 0 BEAERN CCOC(=O)CCN[C@@H](C)c1csc(C)n1 ZINC000045687725 170210006 /nfs/dbraw/zinc/21/00/06/170210006.db2.gz TZSLOUQXRGWVCO-QMMMGPOBSA-N 0 0 242.344 2.055 10 0 BEAERN CCOC(=O)CNCc1ccc(Cl)cc1F ZINC000083374584 170225300 /nfs/dbraw/zinc/22/53/00/170225300.db2.gz PIQYSZRNWQDJDN-UHFFFAOYSA-N 0 0 245.681 2.132 10 0 BEAERN CCOC(=O)CN[C@@H](C)c1ccccc1C ZINC000037394277 170226112 /nfs/dbraw/zinc/22/61/12/170226112.db2.gz HEOALJFHYCBFGO-NSHDSACASA-N 0 0 221.300 2.209 10 0 BEAERN CCOC(=O)CN[C@H]1C[C@H]1C1CCCCC1 ZINC000365798102 170227119 /nfs/dbraw/zinc/22/71/19/170227119.db2.gz ULCFVZCPSIDJBY-RYUDHWBXSA-N 0 0 225.332 2.108 10 0 BEAERN CCOC(=O)C[C@@H]1CCCc2cc(N)cnc21 ZINC000098209946 170231811 /nfs/dbraw/zinc/23/18/11/170231811.db2.gz GOUGDRGUIKLTRE-JTQLQIEISA-N 0 0 234.299 2.037 10 0 BEAERN CCOC(=O)C[C@@H]1OCCc2ccsc21 ZINC000095936076 170232558 /nfs/dbraw/zinc/23/25/58/170232558.db2.gz OMQRXSKUIDQBTM-VIFPVBQESA-N 0 0 226.297 2.315 10 0 BEAERN CCOC(=O)Cc1ccc(Cl)c(C)n1 ZINC000095763968 170235278 /nfs/dbraw/zinc/23/52/78/170235278.db2.gz YZSVCWZIZAHTRA-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1c(C)nccc1Cl ZINC000095763972 170235404 /nfs/dbraw/zinc/23/54/04/170235404.db2.gz UGYUYJQEBCIHSM-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1cncc(C)c1Cl ZINC000095763976 170235921 /nfs/dbraw/zinc/23/59/21/170235921.db2.gz QCNBCJGACONLRF-UHFFFAOYSA-N 0 0 213.664 2.149 10 0 BEAERN CCOC(=O)Cc1ncccc1C(F)(F)F ZINC000098177611 170236702 /nfs/dbraw/zinc/23/67/02/170236702.db2.gz MBGKJGJXTCGWBZ-UHFFFAOYSA-N 0 0 233.189 2.206 10 0 BEAERN CCOC(=O)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000034956291 170237271 /nfs/dbraw/zinc/23/72/71/170237271.db2.gz BJBVNKQUAXHXJG-MRVPVSSYSA-N 0 0 239.340 2.374 10 0 BEAERN CCOC(=O)N1CCC[C@H]1C(=O)c1ccccc1 ZINC000034594851 170239188 /nfs/dbraw/zinc/23/91/88/170239188.db2.gz FRENTXMDXXZFAL-LBPRGKRZSA-N 0 0 247.294 2.490 10 0 BEAERN CCOC(=O)NCCOc1ccc(C)cc1 ZINC000005709667 170241906 /nfs/dbraw/zinc/24/19/06/170241906.db2.gz KSQAKKDACQGJMM-UHFFFAOYSA-N 0 0 223.272 2.120 10 0 BEAERN CCOC(=O)N[C@H](C)c1cccc(N)c1 ZINC000037178932 170243063 /nfs/dbraw/zinc/24/30/63/170243063.db2.gz MYADPJKKGHOZBY-MRVPVSSYSA-N 0 0 208.261 2.076 10 0 BEAERN CCOC(=O)Nc1cccnc1Br ZINC000096984933 170243999 /nfs/dbraw/zinc/24/39/99/170243999.db2.gz WPQWQSKTTDWPDU-UHFFFAOYSA-N 0 0 245.076 2.413 10 0 BEAERN CCOC(=O)N=c1[nH]c2ncccc2s1 ZINC000299889826 170244095 /nfs/dbraw/zinc/24/40/95/170244095.db2.gz PHUNJYFCHLLNSW-UHFFFAOYSA-N 0 0 223.257 2.260 10 0 BEAERN CCOC(=O)[C@@H]1O[C@]1(c1ccccc1)C(C)C ZINC000001696052 170260676 /nfs/dbraw/zinc/26/06/76/170260676.db2.gz WNQZJMXFTURWEQ-JSGCOSHPSA-N 0 0 234.295 2.500 10 0 BEAERN CCOC(=O)[C@@](O)(CC)c1ccc(CC)cc1 ZINC000050975924 170262386 /nfs/dbraw/zinc/26/23/86/170262386.db2.gz PJNDTTWCYGYCJY-CQSZACIVSA-N 0 0 236.311 2.410 10 0 BEAERN CCOC(=O)[C@H](C)N(CC)Cc1ccccc1 ZINC000043638527 170267010 /nfs/dbraw/zinc/26/70/10/170267010.db2.gz YAGPUHHLLKYYQJ-LBPRGKRZSA-N 0 0 235.327 2.460 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000049367826 170268048 /nfs/dbraw/zinc/26/80/48/170268048.db2.gz VSEYTOOABQMYRA-UWVGGRQHSA-N 0 0 239.290 2.428 10 0 BEAERN CCOC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000049367483 170268383 /nfs/dbraw/zinc/26/83/83/170268383.db2.gz XSABTWOVQFONEX-UWVGGRQHSA-N 0 0 239.290 2.428 10 0 BEAERN CCOC(=O)[C@H](CC)NC1(C(C)C)CC1 ZINC000339516397 170271129 /nfs/dbraw/zinc/27/11/29/170271129.db2.gz ONTHTBDCGAXYQV-JTQLQIEISA-N 0 0 213.321 2.106 10 0 BEAERN CCOC(=O)[C@H](CC)Nc1ccccc1OC ZINC000037961689 170272687 /nfs/dbraw/zinc/27/26/87/170272687.db2.gz JIFHYOIUAJXXHL-JTQLQIEISA-N 0 0 237.299 2.449 10 0 BEAERN CCOC(=O)[C@H](CC)Oc1ccc(N)cc1F ZINC000076851378 170272897 /nfs/dbraw/zinc/27/28/97/170272897.db2.gz PFSNUISRCVLPTB-JTQLQIEISA-N 0 0 241.262 2.128 10 0 BEAERN CCOC(=O)[C@H](N)CC1CCCCCC1 ZINC000044343772 170273886 /nfs/dbraw/zinc/27/38/86/170273886.db2.gz SNYFALYKMLMZBC-LLVKDONJSA-N 0 0 213.321 2.237 10 0 BEAERN CCOC(=O)[C@H](N)c1c(C)cc(C)cc1C ZINC000023187649 170274664 /nfs/dbraw/zinc/27/46/64/170274664.db2.gz YNGLWZKCCVNKOT-GFCCVEGCSA-N 0 0 221.300 2.175 10 0 BEAERN CCOC(=O)[C@H](O)c1cccc(OC(C)C)c1 ZINC000050976010 170278358 /nfs/dbraw/zinc/27/83/58/170278358.db2.gz OEXJELDDERJOQM-GFCCVEGCSA-N 0 0 238.283 2.070 10 0 BEAERN CCOC(=O)[C@H]1O[C@@]1(c1ccccc1)C(C)C ZINC000001696051 170282643 /nfs/dbraw/zinc/28/26/43/170282643.db2.gz WNQZJMXFTURWEQ-TZMCWYRMSA-N 0 0 234.295 2.500 10 0 BEAERN CCOC(=O)[C@](C)(N)c1ccc(Cl)cc1 ZINC000033733056 170283722 /nfs/dbraw/zinc/28/37/22/170283722.db2.gz DZIFPXVMWNXTRN-LLVKDONJSA-N 0 0 227.691 2.077 10 0 BEAERN CCOC(=O)[C@](C)(N)Cc1ccc(Cl)cc1 ZINC000117063277 170283836 /nfs/dbraw/zinc/28/38/36/170283836.db2.gz HKYTXRJHGDJCPV-GFCCVEGCSA-N 0 0 241.718 2.163 10 0 BEAERN CCOC(=O)c1cc(-c2ccc(N)cc2)no1 ZINC000098180666 170290119 /nfs/dbraw/zinc/29/01/19/170290119.db2.gz UEUPNCATSZRUAV-UHFFFAOYSA-N 0 0 232.239 2.101 10 0 BEAERN CCOC(=O)c1c[nH]c(-c2ccc(F)cc2)n1 ZINC000085345990 170290180 /nfs/dbraw/zinc/29/01/80/170290180.db2.gz JWSVYLWYZNJFJQ-UHFFFAOYSA-N 0 0 234.230 2.393 10 0 BEAERN CCOC(=O)c1cc(C(=O)c2ccccc2)no1 ZINC000090470994 170290793 /nfs/dbraw/zinc/29/07/93/170290793.db2.gz FOIIRBFBIRVOHK-UHFFFAOYSA-N 0 0 245.234 2.082 10 0 BEAERN CCOC(=O)c1cc(N2CCC[C@@H]2C)ccc1N ZINC000041079567 170292138 /nfs/dbraw/zinc/29/21/38/170292138.db2.gz AEIFVODAYXTAMM-JTQLQIEISA-N 0 0 248.326 2.434 10 0 BEAERN CCOC(=O)c1cc2c(ccn2CC)cn1 ZINC000039102040 170293913 /nfs/dbraw/zinc/29/39/13/170293913.db2.gz OISWQDCUORNJNI-UHFFFAOYSA-N 0 0 218.256 2.233 10 0 BEAERN CCOC(=O)c1ccc(N(CC)CC)nc1 ZINC000040538621 170296045 /nfs/dbraw/zinc/29/60/45/170296045.db2.gz HNSCHCKDYGAOSS-UHFFFAOYSA-N 0 0 222.288 2.105 10 0 BEAERN CCOC(=O)c1ccc(O[C@H](C)[C@@H](C)O)cc1 ZINC000094652524 170296973 /nfs/dbraw/zinc/29/69/73/170296973.db2.gz FYLKRSXZFQCTDS-NXEZZACHSA-N 0 0 238.283 2.011 10 0 BEAERN CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000026783639 170298724 /nfs/dbraw/zinc/29/87/24/170298724.db2.gz SGRUTBIPXMVVNT-JOYOIKCWSA-N 0 0 247.294 2.458 10 0 BEAERN CCOC(=O)c1cccc2c1NCCC2 ZINC000076188324 170299133 /nfs/dbraw/zinc/29/91/33/170299133.db2.gz ARCBMLYSIMSYFQ-UHFFFAOYSA-N 0 0 205.257 2.221 10 0 BEAERN CCOC(=O)c1cn2cc(C)cc(Cl)c2n1 ZINC000082694117 170300582 /nfs/dbraw/zinc/30/05/82/170300582.db2.gz KIBKEAZDGGSYHC-UHFFFAOYSA-N 0 0 238.674 2.473 10 0 BEAERN CCOC(=O)c1ccsc1C(=O)OCC ZINC000038885926 170300640 /nfs/dbraw/zinc/30/06/40/170300640.db2.gz WQFKWUIFAWRSEE-UHFFFAOYSA-N 0 0 228.269 2.102 10 0 BEAERN CCOC(=O)c1n[nH]c(C2CCCCCC2)n1 ZINC000103926887 170306118 /nfs/dbraw/zinc/30/61/18/170306118.db2.gz BJYCBHOZXPGYJX-UHFFFAOYSA-N 0 0 237.303 2.419 10 0 BEAERN CCOC(=O)c1nc(C)cc2cc[nH]c21 ZINC000089219595 170306552 /nfs/dbraw/zinc/30/65/52/170306552.db2.gz LKOAKKFCRMZQHJ-UHFFFAOYSA-N 0 0 204.229 2.048 10 0 BEAERN CCOC(=O)c1ncsc1-c1ccc[nH]1 ZINC000083239032 170308807 /nfs/dbraw/zinc/30/88/07/170308807.db2.gz NLCRMOOGJNTYOB-UHFFFAOYSA-N 0 0 222.269 2.315 10 0 BEAERN CCOC(=O)c1ncn(-c2cc(C)cc(C)c2)n1 ZINC000091368978 170309114 /nfs/dbraw/zinc/30/91/14/170309114.db2.gz VCJPJUGNIYWFQC-UHFFFAOYSA-N 0 0 245.282 2.061 10 0 BEAERN CCOC(=O)c1noc(C[C@H](C)C(C)(C)C)n1 ZINC000104449066 170309446 /nfs/dbraw/zinc/30/94/46/170309446.db2.gz DULXOGGADJFFMU-QMMMGPOBSA-N 0 0 240.303 2.471 10 0 BEAERN CCOC(=O)c1noc2c1CCCCC2 ZINC000001721099 170309672 /nfs/dbraw/zinc/30/96/72/170309672.db2.gz OFDPZVSYFCGQOI-UHFFFAOYSA-N 0 0 209.245 2.120 10 0 BEAERN CCOC(=O)c1nsc2ccc(O)cc21 ZINC000096111257 170310098 /nfs/dbraw/zinc/31/00/98/170310098.db2.gz ITDAEEIRCYJSBY-UHFFFAOYSA-N 0 0 223.253 2.179 10 0 BEAERN CCOC(=O)n1c(=O)ccc2ccccc21 ZINC000003626020 170310500 /nfs/dbraw/zinc/31/05/00/170310500.db2.gz BHYKHYYQPFOAPJ-UHFFFAOYSA-N 0 0 217.224 2.006 10 0 BEAERN CCOC(=O)c1sc(N)nc1CC(C)C ZINC000129854938 170311007 /nfs/dbraw/zinc/31/10/07/170311007.db2.gz GYWDHJHINNLPSU-UHFFFAOYSA-N 0 0 228.317 2.101 10 0 BEAERN CCOC(=O)c1sc2nc(C)cn2c1C ZINC000040437760 170311187 /nfs/dbraw/zinc/31/11/87/170311187.db2.gz GTNDMERWZSYZCV-UHFFFAOYSA-N 0 0 224.285 2.189 10 0 BEAERN CCOC(C)(C)CNc1cc(C)c(C)nn1 ZINC000302507001 170313941 /nfs/dbraw/zinc/31/39/41/170313941.db2.gz QVMYCIVKHCZLAL-UHFFFAOYSA-N 0 0 223.320 2.320 10 0 BEAERN CCOC(CCOC[C@@H]1CCCCO1)OCC ZINC000104351868 170315139 /nfs/dbraw/zinc/31/51/39/170315139.db2.gz VLLDMFDQZKGLGS-LBPRGKRZSA-N 0 0 246.347 2.361 10 0 BEAERN CCOC/C=C/c1ccc(O)c(OC)c1 ZINC000039647599 170317061 /nfs/dbraw/zinc/31/70/61/170317061.db2.gz FXTHXNMWVSIYKM-SNAWJCMRSA-N 0 0 208.257 2.451 10 0 biogenic,in-vitro BEAERN CCOC1=CC(=O)N[C@@H](c2ccccc2)C1 ZINC000039100288 170320160 /nfs/dbraw/zinc/32/01/60/170320160.db2.gz SXMHUESUJSJGHL-GFCCVEGCSA-N 0 0 217.268 2.168 10 0 BEAERN CCOC1=NC(=O)C[C@@H]2C(C)=CCC[C@H]12 ZINC000256011548 170320647 /nfs/dbraw/zinc/32/06/47/170320647.db2.gz XPGHVQAQJLBFDH-VHSXEESVSA-N 0 0 207.273 2.324 10 0 BEAERN CCOCC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000115224908 170338504 /nfs/dbraw/zinc/33/85/04/170338504.db2.gz YIQGRCUJULUNPM-LLVKDONJSA-N 0 0 236.315 2.028 10 0 BEAERN CCOCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000170840229 170362810 /nfs/dbraw/zinc/36/28/10/170362810.db2.gz VADCREOYBGYVMB-LBPRGKRZSA-N 0 0 249.310 2.053 10 0 BEAERN CCOCCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000357682793 170371207 /nfs/dbraw/zinc/37/12/07/170371207.db2.gz LXTCHMRHVLTZPU-NSHDSACASA-N 0 0 245.363 2.075 10 0 BEAERN CCOCCn1c2ccccc2nc1C(C)(C)O ZINC000008786042 170429514 /nfs/dbraw/zinc/42/95/14/170429514.db2.gz XUNKOGWNINDTMK-UHFFFAOYSA-N 0 0 248.326 2.300 10 0 BEAERN CCCc1nccnc1NCCCCOC ZINC000663392172 411645831 /nfs/dbraw/zinc/64/58/31/411645831.db2.gz XXCAITVETASPRO-UHFFFAOYSA-N 0 0 223.320 2.268 10 0 BEAERN CCONC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116414167 170463330 /nfs/dbraw/zinc/46/33/30/170463330.db2.gz ADNOFZASZNDCCO-SECBINFHSA-N 0 0 224.260 2.078 10 0 BEAERN CCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000022173911 170474559 /nfs/dbraw/zinc/47/45/59/170474559.db2.gz KBPUYOUZWIROQD-ZETCQYMHSA-N 0 0 242.706 2.286 10 0 BEAERN CCCc1nccnc1N[C@H]1CCCOC1 ZINC000663570727 411703820 /nfs/dbraw/zinc/70/38/20/411703820.db2.gz XXOJUFCJALROTD-JTQLQIEISA-N 0 0 221.304 2.020 10 0 BEAERN CCCc1nccnc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000663579452 411705090 /nfs/dbraw/zinc/70/50/90/411705090.db2.gz ZSBSGKCLFMBTRX-LBPRGKRZSA-N 0 0 248.374 2.183 10 0 BEAERN CCCc1nccnc1N1CCC([C@@H](C)O)CC1 ZINC000663589287 411707444 /nfs/dbraw/zinc/70/74/44/411707444.db2.gz CWHWQDAXKAPANA-LLVKDONJSA-N 0 0 249.358 2.026 10 0 BEAERN CCCc1nccnc1NC[C@@](C)(O)C1CC1 ZINC000663593714 411707474 /nfs/dbraw/zinc/70/74/74/411707474.db2.gz XKDPSLBZRTWKKW-CYBMUJFWSA-N 0 0 235.331 2.002 10 0 BEAERN CC(C)(C)c1cc(N[C@@H]2CCC[C@H](O)C2)ncn1 ZINC000663394655 411648127 /nfs/dbraw/zinc/64/81/27/411648127.db2.gz YJIMBJKKABSAFN-MNOVXSKESA-N 0 0 249.358 2.490 10 0 BEAERN CCOc1cc2nc(C)cnc2cc1F ZINC000005906611 170529680 /nfs/dbraw/zinc/52/96/80/170529680.db2.gz ITHSDWLQUIUHEM-UHFFFAOYSA-N 0 0 206.220 2.476 10 0 BEAERN CCCc1nccnc1NCC(O)(CC)CC ZINC000663475592 411668083 /nfs/dbraw/zinc/66/80/83/411668083.db2.gz YYEDUNXEWVYHRS-UHFFFAOYSA-N 0 0 237.347 2.392 10 0 BEAERN CCOc1ccc(-c2coc(N)n2)cc1 ZINC000050266307 170531650 /nfs/dbraw/zinc/53/16/50/170531650.db2.gz VKMHYDQUUROWEP-UHFFFAOYSA-N 0 0 204.229 2.323 10 0 BEAERN CCOc1ccc(NC(=O)CC[C@@H](C)O)cc1 ZINC000049828726 170550305 /nfs/dbraw/zinc/55/03/05/170550305.db2.gz GMGOEDXGJAULIA-SNVBAGLBSA-N 0 0 237.299 2.185 10 0 BEAERN CCOc1cccc(-c2ncc(N)c(C)n2)c1 ZINC000082541483 170572330 /nfs/dbraw/zinc/57/23/30/170572330.db2.gz DENGCAAWILJXIQ-UHFFFAOYSA-N 0 0 229.283 2.433 10 0 BEAERN CCOc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000075509141 170573318 /nfs/dbraw/zinc/57/33/18/170573318.db2.gz NLVTUVULTJEZBU-JOYOIKCWSA-N 0 0 219.284 2.224 10 0 BEAERN CCOc1cccc(NCc2ccncn2)c1 ZINC000054789664 170581965 /nfs/dbraw/zinc/58/19/65/170581965.db2.gz HCAZWJKSMOZUCR-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN CCOc1cccc(O[C@H]2CCC[C@H]2O)c1 ZINC000051845261 170583813 /nfs/dbraw/zinc/58/38/13/170583813.db2.gz ABICHHKKQOITQL-OLZOCXBDSA-N 0 0 222.284 2.378 10 0 BEAERN CCCc1nccnc1N[C@H]1CCO[C@H]1C ZINC000663756584 411740219 /nfs/dbraw/zinc/74/02/19/411740219.db2.gz LAKKTJICIQLTLS-UWVGGRQHSA-N 0 0 221.304 2.018 10 0 BEAERN CCOc1ccccc1NC(=O)[C@@H](C)COC ZINC000103357646 170594692 /nfs/dbraw/zinc/59/46/92/170594692.db2.gz WZERSLDYQONDRO-JTQLQIEISA-N 0 0 237.299 2.306 10 0 BEAERN CCOc1ccccc1NCc1ccncn1 ZINC000054788564 170595758 /nfs/dbraw/zinc/59/57/58/170595758.db2.gz FYHACKSTHWUGPG-UHFFFAOYSA-N 0 0 229.283 2.487 10 0 BEAERN CCCc1nccnc1NCC[C@H]1CCOC1 ZINC000663793209 411748653 /nfs/dbraw/zinc/74/86/53/411748653.db2.gz GCPWDCCXPMAMRA-NSHDSACASA-N 0 0 235.331 2.268 10 0 BEAERN CCCc1nccnc1NCC1(CCO)CC1 ZINC000663825367 411755655 /nfs/dbraw/zinc/75/56/55/411755655.db2.gz JDDGAAQAIARWQI-UHFFFAOYSA-N 0 0 235.331 2.004 10 0 BEAERN CCSc1cc(C(=O)N[C@H]2C[C@H]2C)ccn1 ZINC000075508392 170654037 /nfs/dbraw/zinc/65/40/37/170654037.db2.gz PGRJDHPIFSHSGM-SCZZXKLOSA-N 0 0 236.340 2.332 10 0 BEAERN CCCc1nccnc1NCC[C@H](C)CCO ZINC000663953464 411788646 /nfs/dbraw/zinc/78/86/46/411788646.db2.gz ZJASNCHHIFTGNA-NSHDSACASA-N 0 0 237.347 2.250 10 0 BEAERN CCCc1nccnc1NC[C@@H](CC)CCO ZINC000663706561 411727282 /nfs/dbraw/zinc/72/72/82/411727282.db2.gz TVKJEWLMGIUKPO-NSHDSACASA-N 0 0 237.347 2.250 10 0 BEAERN CC[C@@H](C)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000019390394 170681685 /nfs/dbraw/zinc/68/16/85/170681685.db2.gz HJVYJFCNGVOOJL-PWSUYJOCSA-N 0 0 232.327 2.186 10 0 BEAERN CC[C@@H](C)CNC(=O)c1ccc(N)cc1 ZINC000054466091 170706123 /nfs/dbraw/zinc/70/61/23/170706123.db2.gz OIHHACBSVFSFLI-SECBINFHSA-N 0 0 206.289 2.045 10 0 BEAERN CC[C@@H](C)CNc1cc(-n2cnnn2)ccc1F ZINC000037773619 170709940 /nfs/dbraw/zinc/70/99/40/170709940.db2.gz GOANFFASEJEEQP-SECBINFHSA-N 0 0 249.293 2.259 10 0 BEAERN CC[C@@H](C)CNc1ncnc(Cl)c1N ZINC000062364554 170710517 /nfs/dbraw/zinc/71/05/17/170710517.db2.gz IQDQZWLRZUPKHZ-ZCFIWIBFSA-N 0 0 214.700 2.170 10 0 BEAERN CCCc1nccnc1N[C@@H]1CO[C@H](C)C1 ZINC000664056116 411832468 /nfs/dbraw/zinc/83/24/68/411832468.db2.gz SUDQCVYGQYFQCF-ZJUUUORDSA-N 0 0 221.304 2.018 10 0 BEAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000038066546 170756088 /nfs/dbraw/zinc/75/60/88/170756088.db2.gz AKMJGRMDZUQDFV-NOZJJQNGSA-N 0 0 249.310 2.135 10 0 BEAERN CC[C@@H](C)Nc1nc(Cl)nc(C)c1N ZINC000038545400 170760641 /nfs/dbraw/zinc/76/06/41/170760641.db2.gz QYQJKRLFNJTNNQ-RXMQYKEDSA-N 0 0 214.700 2.231 10 0 BEAERN CCN(C(=O)c1ncccc1N)C1CCCC1 ZINC000132335473 411897708 /nfs/dbraw/zinc/89/77/08/411897708.db2.gz YFLLKKLCTKWQRJ-UHFFFAOYSA-N 0 0 233.315 2.069 10 0 BEAERN CC[C@@H](C)[S@@](=O)Cc1cccc(N)c1 ZINC000042372876 170802693 /nfs/dbraw/zinc/80/26/93/170802693.db2.gz IIQXTIHAMFFRFF-YMTOWFKASA-N 0 0 211.330 2.316 10 0 BEAERN CC[C@@H](C)c1ccc(C[NH2+]CC(=O)[O-])cc1 ZINC000107286749 170804424 /nfs/dbraw/zinc/80/44/24/170804424.db2.gz UUVJXSPJUDNXLT-SNVBAGLBSA-N 0 0 221.300 2.374 10 0 BEAERN O=C(NC[C@@H]1Cc2ccccc2CO1)C1CCC1 ZINC000219806376 411916662 /nfs/dbraw/zinc/91/66/62/411916662.db2.gz NSNKENHGFFUEHS-AWEZNQCLSA-N 0 0 245.322 2.044 10 0 BEAERN CC[C@@H](NC(=O)N1CCCC1)c1nccs1 ZINC000121187557 170878784 /nfs/dbraw/zinc/87/87/84/170878784.db2.gz ITVKVELPGFMRBZ-SECBINFHSA-N 0 0 239.344 2.400 10 0 BEAERN C[C@H](N(C)C(=O)c1ncccc1N)C(C)(C)C ZINC000132490797 411993368 /nfs/dbraw/zinc/99/33/68/411993368.db2.gz DSUZNHSFEKRENM-VIFPVBQESA-N 0 0 235.331 2.170 10 0 BEAERN CC(C)c1nccnc1N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000664594793 411993672 /nfs/dbraw/zinc/99/36/72/411993672.db2.gz CNWGJDBEJSMLFL-BXUZGUMPSA-N 0 0 249.358 2.055 10 0 BEAERN OCC1CC(Nc2ncc(Cl)cc2F)C1 ZINC000664646084 412005055 /nfs/dbraw/zinc/00/50/55/412005055.db2.gz WGMIRYVIPWRLHD-UHFFFAOYSA-N 0 0 230.670 2.057 10 0 BEAERN CC[C@@H](O)c1ccc2c(c1)CCCC(=O)N2 ZINC000040261216 170938657 /nfs/dbraw/zinc/93/86/57/170938657.db2.gz WTVVBNUZWKXPII-GFCCVEGCSA-N 0 0 219.284 2.405 10 0 BEAERN CC[C@@H]1CCCCCN1C(=O)c1cn[nH]c1 ZINC000125446279 170961121 /nfs/dbraw/zinc/96/11/21/170961121.db2.gz WAFCVWYTKWAUAJ-LLVKDONJSA-N 0 0 221.304 2.205 10 0 BEAERN CC[C@@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000134493629 171004938 /nfs/dbraw/zinc/00/49/38/171004938.db2.gz JAABQZRULFXHOK-GHMZBOCLSA-N 0 0 247.342 2.088 10 0 BEAERN CC[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000039100860 171011565 /nfs/dbraw/zinc/01/15/65/171011565.db2.gz PEPQZUVJYCXRBX-GFCCVEGCSA-N 0 0 203.285 2.445 10 0 BEAERN CC[C@@H]1CC[C@@H]([C@H](CC(C)=O)C(C)=O)O1 ZINC000256015675 171042753 /nfs/dbraw/zinc/04/27/53/171042753.db2.gz ZIPBJCOUQNAYOV-UTUOFQBUSA-N 0 0 212.289 2.128 10 0 BEAERN CC[C@@H]1CSC(NCc2ccco2)=[NH+]1 ZINC000035082603 171113752 /nfs/dbraw/zinc/11/37/52/171113752.db2.gz JYOOUTFXMITCMV-MRVPVSSYSA-N 0 0 210.302 2.251 10 0 BEAERN CC[C@@H]1CSC(NC[C@H]2CCCCO2)=[NH+]1 ZINC000042823881 171113888 /nfs/dbraw/zinc/11/38/88/171113888.db2.gz QKNBWMDJWBXQOR-NXEZZACHSA-N 0 0 228.361 2.027 10 0 BEAERN CC[C@@H]1C[C@@H]1Nc1nc(OC)ncc1Cl ZINC000225356173 171124218 /nfs/dbraw/zinc/12/42/18/171124218.db2.gz CZFZAPCPMXUCEA-SVRRBLITSA-N 0 0 227.695 2.349 10 0 BEAERN CC[C@@H]1Sc2ccc(N)cc2NC1=O ZINC000057352809 171154668 /nfs/dbraw/zinc/15/46/68/171154668.db2.gz KPVAHOXFAMUEAX-QMMMGPOBSA-N 0 0 208.286 2.092 10 0 BEAERN CC[C@@](C(=O)[O-])(c1ccc(F)cc1)[NH+](C)C ZINC000037357601 171162372 /nfs/dbraw/zinc/16/23/72/171162372.db2.gz LRFAIZQFSXFWJD-LBPRGKRZSA-N 0 0 225.263 2.077 10 0 BEAERN CC[C@@](C)([NH2+]Cc1ccc(C)cc1)C(=O)[O-] ZINC000041766470 171175556 /nfs/dbraw/zinc/17/55/56/171175556.db2.gz AITBQAXZJYFZLB-CYBMUJFWSA-N 0 0 221.300 2.338 10 0 BEAERN CC[C@@](C)([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000037952238 171175663 /nfs/dbraw/zinc/17/56/63/171175663.db2.gz UYTGAFNJZDKUEO-GFCCVEGCSA-N 0 0 207.273 2.030 10 0 BEAERN CC[C@@](C)(O)CN(Cc1ccccc1)OC ZINC000118944904 171178566 /nfs/dbraw/zinc/17/85/66/171178566.db2.gz WOTPAGVTNGOTHY-CYBMUJFWSA-N 0 0 223.316 2.211 10 0 BEAERN CC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000062937206 171197361 /nfs/dbraw/zinc/19/73/61/171197361.db2.gz RXGRXEBPTVORMP-CQSZACIVSA-N 0 0 233.311 2.373 10 0 BEAERN CC[C@H](C(=O)N[C@H](C)[C@@H](C)CO)c1ccccc1 ZINC000133562946 171233266 /nfs/dbraw/zinc/23/32/66/171233266.db2.gz VJUSSDQQGOPSFQ-SCRDCRAPSA-N 0 0 249.354 2.313 10 0 BEAERN CC[C@H](C(=O)[O-])C1C[NH+](Cc2ccccc2)C1 ZINC000083101637 171236766 /nfs/dbraw/zinc/23/67/66/171236766.db2.gz UZLVRJXQWKKJCP-ZDUSSCGKSA-N 0 0 233.311 2.229 10 0 BEAERN CC[C@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125131796 171247202 /nfs/dbraw/zinc/24/72/02/171247202.db2.gz QXUNIBBVPRWYDH-JTQLQIEISA-N 0 0 235.331 2.162 10 0 BEAERN CC[C@H](C)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127882488 171249013 /nfs/dbraw/zinc/24/90/13/171249013.db2.gz YQTKYFHEFJDNGG-OUCADQQQSA-N 0 0 239.359 2.186 10 0 BEAERN CC[C@H](C)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127882931 171249285 /nfs/dbraw/zinc/24/92/85/171249285.db2.gz YQTKYFHEFJDNGG-SCRDCRAPSA-N 0 0 239.359 2.186 10 0 BEAERN CC[C@H](C)CN(C)C(=O)c1cc(N)cnc1C ZINC000038095091 171271521 /nfs/dbraw/zinc/27/15/21/171271521.db2.gz VYULVAYULLGSCV-VIFPVBQESA-N 0 0 235.331 2.090 10 0 BEAERN CC[C@H](C)CN(C)Cc1nnc(C)n1C1CC1 ZINC000111253092 171273958 /nfs/dbraw/zinc/27/39/58/171273958.db2.gz DKJZKHNFHHGOHQ-JTQLQIEISA-N 0 0 236.363 2.399 10 0 BEAERN CC[C@H](C)CNC(=O)Nc1cccc(N)c1 ZINC000054489073 171283948 /nfs/dbraw/zinc/28/39/48/171283948.db2.gz JNRQQWJFMONCDR-VIFPVBQESA-N 0 0 221.304 2.436 10 0 BEAERN CC[C@H](C)CNC(=O)c1cccc(N)c1C ZINC000054466073 171284125 /nfs/dbraw/zinc/28/41/25/171284125.db2.gz BBYJMJDXFAHDDO-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)CNC(=O)c1ccc(N)c(C)c1 ZINC000054466085 171284199 /nfs/dbraw/zinc/28/41/99/171284199.db2.gz SDAFTVMPNNBQSQ-VIFPVBQESA-N 0 0 220.316 2.353 10 0 BEAERN CC[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000181121031 171319112 /nfs/dbraw/zinc/31/91/12/171319112.db2.gz QHYKKHNLSHPDDE-UWVGGRQHSA-N 0 0 226.345 2.315 10 0 BEAERN CC[C@H](C)NC(=O)CNc1ccc(F)cc1F ZINC000020053257 171326857 /nfs/dbraw/zinc/32/68/57/171326857.db2.gz OISQJTXBLQLEKJ-QMMMGPOBSA-N 0 0 242.269 2.291 10 0 BEAERN CC[C@H](C)NC(=O)c1ccc2c(c1)CCN2 ZINC000034962001 171337372 /nfs/dbraw/zinc/33/73/72/171337372.db2.gz SMPCUSNEQRSHLQ-VIFPVBQESA-N 0 0 218.300 2.183 10 0 BEAERN CC[C@H](C)NC(=O)c1cccc(C)c1N ZINC000022148579 171337644 /nfs/dbraw/zinc/33/76/44/171337644.db2.gz VZRFFFBNNLPTEI-VIFPVBQESA-N 0 0 206.289 2.106 10 0 BEAERN CC[C@H](C)[NH2+]C1(C(=O)[O-])CCC(C)CC1 ZINC000038065927 171339215 /nfs/dbraw/zinc/33/92/15/171339215.db2.gz MKUBUAXSYZTXHX-YZRBJQDESA-N 0 0 213.321 2.408 10 0 BEAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000038066035 171347286 /nfs/dbraw/zinc/34/72/86/171347286.db2.gz UDFRWIROAFTICA-CPCISQLKSA-N 0 0 243.253 2.479 10 0 BEAERN CC[C@H](C)[NH2+][C@](CC)(C(N)=O)c1ccc(C)cc1 ZINC000038065577 171348627 /nfs/dbraw/zinc/34/86/27/171348627.db2.gz CLLRXHGWFVJMTI-WFASDCNBSA-N 0 0 248.370 2.474 10 0 BEAERN CC[C@H](C)Nc1nccn(C(C)(C)C)c1=O ZINC000061761996 171350186 /nfs/dbraw/zinc/35/01/86/171350186.db2.gz XSXVCPNIKFMWCL-VIFPVBQESA-N 0 0 223.320 2.209 10 0 BEAERN CC[C@H](C)OC(=O)c1ccc(F)c(N)c1 ZINC000041065906 171351060 /nfs/dbraw/zinc/35/10/60/171351060.db2.gz VTDVGTOSMUYEDL-ZETCQYMHSA-N 0 0 211.236 2.363 10 0 BEAERN CC[C@H](C)OCC(=O)N[C@H]1COc2ccccc21 ZINC000119553617 171354415 /nfs/dbraw/zinc/35/44/15/171354415.db2.gz ZONWILDYDPSSPM-JQWIXIFHSA-N 0 0 249.310 2.051 10 0 BEAERN CC[C@H](C)OCC(=O)N[C@@H]1COc2ccccc21 ZINC000119553319 171354875 /nfs/dbraw/zinc/35/48/75/171354875.db2.gz ZONWILDYDPSSPM-CMPLNLGQSA-N 0 0 249.310 2.051 10 0 BEAERN CC[C@H](C)[C@@H](C)Nc1ccc(=O)n(C)c1 ZINC000037785936 171367766 /nfs/dbraw/zinc/36/77/66/171367766.db2.gz QUYSJDRYHHMDRY-VHSXEESVSA-N 0 0 208.305 2.232 10 0 BEAERN CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819555 171370011 /nfs/dbraw/zinc/37/00/11/171370011.db2.gz FZINFGACTNYDPG-CYZMBNFOSA-N 0 0 249.358 2.052 10 0 BEAERN CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(C)nc1C ZINC000179273977 171376694 /nfs/dbraw/zinc/37/66/94/171376694.db2.gz LJPDAQDTFMAPKT-QPUJVOFHSA-N 0 0 236.315 2.044 10 0 BEAERN CC[C@H](NC(=O)c1ccc(NC)nc1)C(C)C ZINC000050776976 171510976 /nfs/dbraw/zinc/51/09/76/171510976.db2.gz WZTHSDGSFVGUQG-NSHDSACASA-N 0 0 235.331 2.288 10 0 BEAERN C[C@@H]1CC[C@H](NC(=O)c2ncccc2N)[C@H](C)C1 ZINC000132714836 412217543 /nfs/dbraw/zinc/21/75/43/412217543.db2.gz RKMLFBBUWIPTKD-FOGDFJRCSA-N 0 0 247.342 2.218 10 0 BEAERN CC[C@H]1CCCC[C@H]1NC(=O)c1cccnc1N ZINC000050710204 171611874 /nfs/dbraw/zinc/61/18/74/171611874.db2.gz IDXKBJGJFSJSFS-CMPLNLGQSA-N 0 0 247.342 2.362 10 0 BEAERN CC[C@H]1CC[C@@H](C)N1C(=O)c1ncccc1N ZINC000132858232 412328440 /nfs/dbraw/zinc/32/84/40/412328440.db2.gz ZDLHJSUFKNMBDZ-ZJUUUORDSA-N 0 0 233.315 2.067 10 0 BEAERN CC[C@H]1Oc2cc(Cl)ccc2NC1=O ZINC000073634861 171683673 /nfs/dbraw/zinc/68/36/73/171683673.db2.gz AQYUDDHSOMUEDP-MRVPVSSYSA-N 0 0 211.648 2.450 10 0 BEAERN CC(C)(C)[C@H]1CCN(C(=O)c2ncccc2N)C1 ZINC000132874758 412337500 /nfs/dbraw/zinc/33/75/00/412337500.db2.gz GOUXWLXBFKZSBZ-JTQLQIEISA-N 0 0 247.342 2.172 10 0 BEAERN CC1(C)CCCC[C@@H]1NC(=O)c1ncccc1N ZINC000132795740 412290204 /nfs/dbraw/zinc/29/02/04/412290204.db2.gz HTRNQZVGCFJMPQ-NSHDSACASA-N 0 0 247.342 2.362 10 0 BEAERN CCc1cc(=O)c2cc(OC)ccc2[nH]1 ZINC000036912724 171747588 /nfs/dbraw/zinc/74/75/88/171747588.db2.gz UYYINXKRZUQMMU-UHFFFAOYSA-N 0 0 203.241 2.099 10 0 BEAERN CCc1cc(C(=O)OC(C)C)c(N)s1 ZINC000006123562 171755616 /nfs/dbraw/zinc/75/56/16/171755616.db2.gz AMARSTRPUZFSSB-UHFFFAOYSA-N 0 0 213.302 2.458 10 0 BEAERN CCc1cc2c(c(C)n1)C(=O)N(C(C)C)C2 ZINC000039102097 171776396 /nfs/dbraw/zinc/77/63/96/171776396.db2.gz SSNJCKTZBGPOFX-UHFFFAOYSA-N 0 0 218.300 2.317 10 0 BEAERN CCc1ccc(-c2nc(C)c(C)c(N)n2)o1 ZINC000051723194 171779485 /nfs/dbraw/zinc/77/94/85/171779485.db2.gz TZQHXOBZJNKIED-UHFFFAOYSA-N 0 0 217.272 2.498 10 0 BEAERN CCc1ccc(C(=O)N2CC[C@H](CCO)C2)cc1 ZINC000123034368 171784724 /nfs/dbraw/zinc/78/47/24/171784724.db2.gz YNJFTHKXMLLWBX-CYBMUJFWSA-N 0 0 247.338 2.094 10 0 BEAERN CCc1ccc(O)c(NC(=O)[C@@H](C)COC)c1 ZINC000174089580 171823952 /nfs/dbraw/zinc/82/39/52/171823952.db2.gz YSWVCSOWFYRGJB-VIFPVBQESA-N 0 0 237.299 2.176 10 0 BEAERN CCc1cnc(CCNC(=O)C2(C)CC2)s1 ZINC000120215186 171909406 /nfs/dbraw/zinc/90/94/06/171909406.db2.gz WGLRVCVJSSNRLP-UHFFFAOYSA-N 0 0 238.356 2.164 10 0 BEAERN CCc1cnn2c1nc1c(c2Cl)CCC1 ZINC000071476804 171928604 /nfs/dbraw/zinc/92/86/04/171928604.db2.gz MURNHKWRNGEXNE-UHFFFAOYSA-N 0 0 221.691 2.434 10 0 BEAERN CCc1nc(N2CCCCCC2)[nH]c(=O)c1C ZINC000104162072 171998025 /nfs/dbraw/zinc/99/80/25/171998025.db2.gz YRAHBHKVHJVCCZ-UHFFFAOYSA-N 0 0 235.331 2.021 10 0 BEAERN CCc1nc([C@@H](N)c2ccccc2CC)no1 ZINC000052204852 172004623 /nfs/dbraw/zinc/00/46/23/172004623.db2.gz JZCMZUKQMHRETM-LBPRGKRZSA-N 0 0 231.299 2.243 10 0 BEAERN CCc1nc([C@H](N)c2ccc(C)s2)no1 ZINC000041676991 172007693 /nfs/dbraw/zinc/00/76/93/172007693.db2.gz NQLIOQZGNFEYKT-SECBINFHSA-N 0 0 223.301 2.050 10 0 BEAERN CCc1nc([C@]2([NH3+])CCSC2)sc1C ZINC000041060230 172008696 /nfs/dbraw/zinc/00/86/96/172008696.db2.gz ZRKKGGCGKPBFPE-JTQLQIEISA-N 0 0 228.386 2.305 10 0 BEAERN CCc1nc2cccc([C@@H]3C[C@H]3CO)c2o1 ZINC000039101993 172014242 /nfs/dbraw/zinc/01/42/42/172014242.db2.gz UNWAQUOJZFOPTJ-WCBMZHEXSA-N 0 0 217.268 2.486 10 0 BEAERN CCc1ncc(NC(=O)N[C@@H](C)CC2CC2)cn1 ZINC000119269219 172022160 /nfs/dbraw/zinc/02/21/60/172022160.db2.gz RGXGKABZZPCNSX-VIFPVBQESA-N 0 0 248.330 2.349 10 0 BEAERN CCc1nccn1Cc1cccc(O)c1 ZINC000059671949 172027153 /nfs/dbraw/zinc/02/71/53/172027153.db2.gz VXPCVVZHDDNQOR-UHFFFAOYSA-N 0 0 202.257 2.199 10 0 BEAERN CCc1nn(C)cc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300240790 172044268 /nfs/dbraw/zinc/04/42/68/172044268.db2.gz XQCHKXANVJNHCC-ZWKOPEQDSA-N 0 0 249.358 2.208 10 0 BEAERN CCc1nnc(-c2cc(N)ccc2C)o1 ZINC000041032564 172044961 /nfs/dbraw/zinc/04/49/61/172044961.db2.gz XMFOKKJNJWFSPL-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1nnc(CN(C)c2ccccc2F)n1C ZINC000170717677 172048346 /nfs/dbraw/zinc/04/83/46/172048346.db2.gz DNRDCTJRAMRXPF-UHFFFAOYSA-N 0 0 248.305 2.153 10 0 BEAERN CCc1nnc(CSCc2ccco2)n1C ZINC000128567954 172055221 /nfs/dbraw/zinc/05/52/21/172055221.db2.gz RYEIAAPJEICGBX-UHFFFAOYSA-N 0 0 237.328 2.404 10 0 BEAERN CCc1noc(-c2ccc(N)cc2C)n1 ZINC000044750355 172072299 /nfs/dbraw/zinc/07/22/99/172072299.db2.gz BLOJXZYYZRJEQU-UHFFFAOYSA-N 0 0 203.245 2.190 10 0 BEAERN CCc1noc([C@@H](N)C2CCCCC2)n1 ZINC000038036991 172090943 /nfs/dbraw/zinc/09/09/43/172090943.db2.gz DPPSOSMVGVPDOY-JTQLQIEISA-N 0 0 209.293 2.212 10 0 BEAERN CCc1oc(C(=O)Nc2cn[nH]c2)cc1C ZINC000122988377 172111324 /nfs/dbraw/zinc/11/13/24/172111324.db2.gz BEUSBKOQJYJRTE-UHFFFAOYSA-N 0 0 219.244 2.126 10 0 BEAERN CCn1c2ccccc2cc([C@@H](C)O)c1=O ZINC000040165795 172132170 /nfs/dbraw/zinc/13/21/70/172132170.db2.gz MSBMLWRUNYAVMQ-SECBINFHSA-N 0 0 217.268 2.075 10 0 BEAERN CCn1c(C)cc(C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000075522344 172136394 /nfs/dbraw/zinc/13/63/94/172136394.db2.gz DQDRFPKPIJODPI-QPUJVOFHSA-N 0 0 220.316 2.263 10 0 BEAERN CCn1c(C)nnc1CN[C@@H](C)c1ccc(C)o1 ZINC000182569705 172139188 /nfs/dbraw/zinc/13/91/88/172139188.db2.gz PTDYVZVKZXQBTH-JTQLQIEISA-N 0 0 248.330 2.359 10 0 BEAERN CCn1c(CNc2cn[nH]c2)nc2ccccc21 ZINC000038046773 172144311 /nfs/dbraw/zinc/14/43/11/172144311.db2.gz GBMJYFHZESLQTB-UHFFFAOYSA-N 0 0 241.298 2.391 10 0 BEAERN CCn1c2ccccc2nc1NC(=O)CSC ZINC000021125611 172146370 /nfs/dbraw/zinc/14/63/70/172146370.db2.gz ZKYLPVAOGSHGOK-UHFFFAOYSA-N 0 0 249.339 2.358 10 0 BEAERN CCn1cc(-c2n[nH]cc2Cl)c(C)n1 ZINC000015937349 172149259 /nfs/dbraw/zinc/14/92/59/172149259.db2.gz PQHMVDPXZLDMIB-UHFFFAOYSA-N 0 0 210.668 2.255 10 0 BEAERN CCn1cc(C(=O)NCCC2=CCCC2)cn1 ZINC000131388908 172154461 /nfs/dbraw/zinc/15/44/61/172154461.db2.gz ZVQRRBUYGNHVON-UHFFFAOYSA-N 0 0 233.315 2.133 10 0 BEAERN CCn1cc(Cl)c(-c2csc(N)n2)n1 ZINC000015936740 172177439 /nfs/dbraw/zinc/17/74/39/172177439.db2.gz VFBMADLWGIGVJG-UHFFFAOYSA-N 0 0 228.708 2.262 10 0 BEAERN CCn1cc(N)cc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000071205154 172178256 /nfs/dbraw/zinc/17/82/56/172178256.db2.gz VDOAQZQJYMDIMC-GXSJLCMTSA-N 0 0 235.331 2.009 10 0 BEAERN CCn1cc(NC(=O)c2cccc(C)c2N)cn1 ZINC000035779631 172184160 /nfs/dbraw/zinc/18/41/60/172184160.db2.gz TXYFSXMWYRNQFM-UHFFFAOYSA-N 0 0 244.298 2.046 10 0 BEAERN CCn1cc(N[C@H](C)C(C)C)ccc1=O ZINC000037773765 172188069 /nfs/dbraw/zinc/18/80/69/172188069.db2.gz HZOSHWIMDZMGLO-SNVBAGLBSA-N 0 0 208.305 2.325 10 0 BEAERN CCn1cc(N[C@H]2CCCSC2)cn1 ZINC000061573082 172188316 /nfs/dbraw/zinc/18/83/16/172188316.db2.gz JWKYHKYOOIQENM-VIFPVBQESA-N 0 0 211.334 2.211 10 0 BEAERN CCn1cc(N[C@H]2COc3cc(O)ccc32)cn1 ZINC000035780359 172188501 /nfs/dbraw/zinc/18/85/01/172188501.db2.gz KWXSPEPZEDEIGF-LBPRGKRZSA-N 0 0 245.282 2.154 10 0 BEAERN CCn1ccc(=O)c2c(OC)ccc(OC)c21 ZINC000040164125 172200209 /nfs/dbraw/zinc/20/02/09/172200209.db2.gz PARSLDDIQSPBSE-UHFFFAOYSA-N 0 0 233.267 2.039 10 0 BEAERN CCn1cccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000091127755 172208718 /nfs/dbraw/zinc/20/87/18/172208718.db2.gz SBOZQUGKTZBHKY-OAHLLOKOSA-N 0 0 244.338 2.331 10 0 BEAERN CCn1cccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000229638320 172209684 /nfs/dbraw/zinc/20/96/84/172209684.db2.gz HEYNQZGNXMLPLL-SNVBAGLBSA-N 0 0 218.304 2.082 10 0 BEAERN CCn1ccnc1CSc1ccncc1N ZINC000054743640 172225619 /nfs/dbraw/zinc/22/56/19/172225619.db2.gz FPJCHNZRKNUKGM-UHFFFAOYSA-N 0 0 234.328 2.173 10 0 BEAERN CCn1ccnc1[C@H](N)c1sccc1C ZINC000041048464 172228830 /nfs/dbraw/zinc/22/88/30/172228830.db2.gz FTOVUDZWZZPILZ-SECBINFHSA-N 0 0 221.329 2.321 10 0 BEAERN CCn1ccnc1[C@@H](N)c1cccc(F)c1 ZINC000041048447 172229070 /nfs/dbraw/zinc/22/90/70/172229070.db2.gz APDVYXIBHJHKGH-NSHDSACASA-N 0 0 219.263 2.090 10 0 BEAERN CCn1ccnc1[C@H](NC)c1ccc(C)o1 ZINC000041048703 172230104 /nfs/dbraw/zinc/23/01/04/172230104.db2.gz YZQFUFQLKCCSLC-LLVKDONJSA-N 0 0 219.288 2.113 10 0 BEAERN CCn1cnnc1-c1ccc(N)cc1Cl ZINC000054497669 172233504 /nfs/dbraw/zinc/23/35/04/172233504.db2.gz UPWLSSHGQDVLIQ-UHFFFAOYSA-N 0 0 222.679 2.201 10 0 BEAERN CCn1cnnc1-c1ccc(Cl)cc1N ZINC000054497685 172233833 /nfs/dbraw/zinc/23/38/33/172233833.db2.gz FCNUVAZSJDNPNZ-UHFFFAOYSA-N 0 0 222.679 2.201 10 0 BEAERN CCn1cnnc1CCc1ccccc1 ZINC000136168352 172234440 /nfs/dbraw/zinc/23/44/40/172234440.db2.gz UIVHBUCEEFXWCN-UHFFFAOYSA-N 0 0 201.273 2.083 10 0 BEAERN CCn1nc(C)c2c1nc(Cl)nc2Cl ZINC000095627101 172249398 /nfs/dbraw/zinc/24/93/98/172249398.db2.gz BRRQLRRXIHMQGN-UHFFFAOYSA-N 0 0 231.086 2.461 10 0 BEAERN CN(C(=O)C(C)(C)C)[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215735253 172295126 /nfs/dbraw/zinc/29/51/26/172295126.db2.gz QOALFBGMYNMKDM-HBNTYKKESA-N 0 0 207.317 2.456 10 0 BEAERN CN(C(=O)Cc1cccc(N)c1)c1ccccc1 ZINC000020186043 172315178 /nfs/dbraw/zinc/31/51/78/172315178.db2.gz MFAHANLURDCJBW-UHFFFAOYSA-N 0 0 240.306 2.474 10 0 BEAERN CN(C(=O)c1cccc(N)c1O)C1CCCCC1 ZINC000095093167 172341948 /nfs/dbraw/zinc/34/19/48/172341948.db2.gz WLERMIYRDMKOEK-UHFFFAOYSA-N 0 0 248.326 2.379 10 0 BEAERN CN(C(=O)c1cccnc1)c1ccc(O)cc1 ZINC000020210530 172343662 /nfs/dbraw/zinc/34/36/62/172343662.db2.gz GNXBDUQPLLBMTQ-UHFFFAOYSA-N 0 0 228.251 2.064 10 0 BEAERN CN(C(=O)c1cncc(O)c1)c1cccc(F)c1 ZINC000104423930 172346564 /nfs/dbraw/zinc/34/65/64/172346564.db2.gz DPZCEVXJBVTXOP-UHFFFAOYSA-N 0 0 246.241 2.203 10 0 BEAERN CN(C(=O)c1cscn1)c1cccc(N)c1 ZINC000062353546 172347409 /nfs/dbraw/zinc/34/74/09/172347409.db2.gz NIIDEJJTNBKOIT-UHFFFAOYSA-N 0 0 233.296 2.002 10 0 BEAERN CN(C)C(=O)/C=C1\CCc2ccc(F)cc21 ZINC000027406457 172353076 /nfs/dbraw/zinc/35/30/76/172353076.db2.gz CDUOSLQTSCSZEO-JXMROGBWSA-N 0 0 219.259 2.244 10 0 BEAERN CN(C)C(=O)CCNc1ccccc1Cl ZINC000037897851 172361485 /nfs/dbraw/zinc/36/14/85/172361485.db2.gz HFYACXYRNXXDSB-UHFFFAOYSA-N 0 0 226.707 2.230 10 0 BEAERN CN(C)C(=O)Cc1cnc(C(C)(C)C)s1 ZINC000090624838 172375711 /nfs/dbraw/zinc/37/57/11/172375711.db2.gz YSFODAYWZYKBRM-UHFFFAOYSA-N 0 0 226.345 2.071 10 0 BEAERN CN(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000125405851 172381565 /nfs/dbraw/zinc/38/15/65/172381565.db2.gz OVCDKHSPBGULAS-LBPRGKRZSA-N 0 0 236.290 2.474 10 0 BEAERN CN(C)C(=O)c1c(O)cccc1C(F)(F)F ZINC000095711386 172387385 /nfs/dbraw/zinc/38/73/85/172387385.db2.gz SNLAGXXCHIWJJT-UHFFFAOYSA-N 0 0 233.189 2.113 10 0 BEAERN CN(C)C(=O)c1ccc(CC2CC2)cc1O ZINC000095711692 172389839 /nfs/dbraw/zinc/38/98/39/172389839.db2.gz ZAHOUZKNSWWXKI-UHFFFAOYSA-N 0 0 219.284 2.047 10 0 BEAERN CN(C)C(=O)c1cccc(O)c1C(C)(C)C ZINC000095711630 172390900 /nfs/dbraw/zinc/39/09/00/172390900.db2.gz WAKUEKCFCHQNLM-UHFFFAOYSA-N 0 0 221.300 2.392 10 0 BEAERN CN(C)C(=O)c1cccc(O)c1C(F)(F)F ZINC000095711632 172391161 /nfs/dbraw/zinc/39/11/61/172391161.db2.gz IBXIUCQOUPNTTE-UHFFFAOYSA-N 0 0 233.189 2.113 10 0 BEAERN CN(C)c1ccc(-c2cnc(N)s2)cc1 ZINC000038068933 172547609 /nfs/dbraw/zinc/54/76/09/172547609.db2.gz NHGSBEFQJOYAFD-UHFFFAOYSA-N 0 0 219.313 2.458 10 0 BEAERN CN(C)c1ccccc1NC[C@@H]1CCOC1 ZINC000037509201 172572309 /nfs/dbraw/zinc/57/23/09/172572309.db2.gz RQUFZJHURZBYAJ-NSHDSACASA-N 0 0 220.316 2.201 10 0 BEAERN CN(Cc1ccccn1)c1ccc(CO)cc1 ZINC000036777804 172880689 /nfs/dbraw/zinc/88/06/89/172880689.db2.gz UZSFAVMRCQFXCZ-UHFFFAOYSA-N 0 0 228.295 2.210 10 0 BEAERN CN(N)Cc1ccc(Cl)c(Cl)c1 ZINC000071509223 172940962 /nfs/dbraw/zinc/94/09/62/172940962.db2.gz FEGGPZLDXHACSU-UHFFFAOYSA-N 0 0 205.088 2.299 10 0 BEAERN CN1CCS/C1=C\C1=NC(=N)c2ccccc21 ZINC000038646331 173110794 /nfs/dbraw/zinc/11/07/94/173110794.db2.gz ZOMBCQOGUVQYSC-AJVUJFKDSA-N 0 0 243.335 2.335 10 0 BEAERN C[N@@H+]1CC[C@H](c2c[nH]c3cccc(O)c32)C1 ZINC000013801326 173156113 /nfs/dbraw/zinc/15/61/13/173156113.db2.gz DZKMCQNELDTDGP-VIFPVBQESA-N 0 0 216.284 2.293 10 0 BEAERN CN1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000038293200 173164044 /nfs/dbraw/zinc/16/40/44/173164044.db2.gz KLJZEHNRALYISE-QWHCGFSZSA-N 0 0 202.301 2.056 10 0 BEAERN CN1Cc2cccc(-c3ccc[nH]3)c2C1=O ZINC000040952402 173201721 /nfs/dbraw/zinc/20/17/21/173201721.db2.gz CZCGUSGDCXDRMW-UHFFFAOYSA-N 0 0 212.252 2.267 10 0 BEAERN CNC(=O)CNc1ccc(Cl)cc1Cl ZINC000015290668 173278377 /nfs/dbraw/zinc/27/83/77/173278377.db2.gz VATCOIPRVUTJEI-UHFFFAOYSA-N 0 0 233.098 2.151 10 0 BEAERN CNC(=O)CNc1cc(Cl)cc(Cl)c1 ZINC000015290799 173278714 /nfs/dbraw/zinc/27/87/14/173278714.db2.gz QWJQZSJEFUBPOD-UHFFFAOYSA-N 0 0 233.098 2.151 10 0 BEAERN CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000048922917 173292086 /nfs/dbraw/zinc/29/20/86/173292086.db2.gz VJNHXGVMEORPGJ-SNVBAGLBSA-N 0 0 224.691 2.256 10 0 BEAERN CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000177675756 173292530 /nfs/dbraw/zinc/29/25/30/173292530.db2.gz LJOFKBQJOIFRLG-JTQLQIEISA-N 0 0 234.299 2.218 10 0 BEAERN CNC(=O)Nc1ccc(NC2CCC2)cc1 ZINC000044481622 173293196 /nfs/dbraw/zinc/29/31/96/173293196.db2.gz JRRZQVRCXNLVSO-UHFFFAOYSA-N 0 0 219.288 2.402 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035083618 173295516 /nfs/dbraw/zinc/29/55/16/173295516.db2.gz ZXSCVMFIBNMEFY-ZCFIWIBFSA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)[C@@H](C)Nc1cccc(Cl)c1F ZINC000020306805 173295775 /nfs/dbraw/zinc/29/57/75/173295775.db2.gz YCZMUPRITLMKJN-ZCFIWIBFSA-N 0 0 230.670 2.026 10 0 BEAERN CNC(=O)[C@@H](C)Nc1ccc2ccccc2c1 ZINC000035138179 173295781 /nfs/dbraw/zinc/29/57/81/173295781.db2.gz GYYBBYFOLKQOOC-SNVBAGLBSA-N 0 0 228.295 2.386 10 0 BEAERN CNC(=O)[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000020308160 173303932 /nfs/dbraw/zinc/30/39/32/173303932.db2.gz DOHAOCSLEHGMEL-JTQLQIEISA-N 0 0 220.316 2.356 10 0 BEAERN CNC(=O)[C@H](C)Sc1ccc(Cl)cc1N ZINC000020422492 173304530 /nfs/dbraw/zinc/30/45/30/173304530.db2.gz SHKZVEXYZGSAKS-LURJTMIESA-N 0 0 244.747 2.149 10 0 BEAERN CNC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000005510451 173309247 /nfs/dbraw/zinc/30/92/47/173309247.db2.gz ZMOSZHLXJKMIOE-UHFFFAOYSA-N 0 0 234.082 2.362 10 0 BEAERN CNC(=O)c1cccc(O)c1C(C)(C)C ZINC000095724221 173311980 /nfs/dbraw/zinc/31/19/80/173311980.db2.gz BVVTXKRIYWRBQZ-UHFFFAOYSA-N 0 0 207.273 2.049 10 0 BEAERN CNC(=O)c1cccc(OC2CC2)c1SC ZINC000095724401 173312061 /nfs/dbraw/zinc/31/20/61/173312061.db2.gz PULRPVLQJOFIHS-UHFFFAOYSA-N 0 0 237.324 2.309 10 0 BEAERN CNC(=S)[C@H]1CCCc2cc(C)cnc21 ZINC000169314298 173316389 /nfs/dbraw/zinc/31/63/89/173316389.db2.gz DZDFUFUHYBUNNI-JTQLQIEISA-N 0 0 220.341 2.357 10 0 BEAERN CNC(C)(C)c1nc(Cc2cccc(C)c2)no1 ZINC000061151441 173321470 /nfs/dbraw/zinc/32/14/70/173321470.db2.gz UYBKTDVEUUCJCO-UHFFFAOYSA-N 0 0 245.326 2.423 10 0 BEAERN CNCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000051848581 173399592 /nfs/dbraw/zinc/39/95/92/173399592.db2.gz MHSQEMOHUGFCLD-UHFFFAOYSA-N 0 0 241.653 2.249 10 0 BEAERN CN[C@@](C)(C(=O)OC)c1ccc(F)c(Cl)c1 ZINC000037458509 173440781 /nfs/dbraw/zinc/44/07/81/173440781.db2.gz AKCCXFZDBCGBCT-LLVKDONJSA-N 0 0 245.681 2.087 10 0 BEAERN C[NH2+][C@H](C(=O)[O-])c1csc2ccccc21 ZINC000054465097 173443128 /nfs/dbraw/zinc/44/31/28/173443128.db2.gz ZRBIIGJYHFTKOJ-JTQLQIEISA-N 0 0 221.281 2.246 10 0 BEAERN CNc1c(F)cccc1C(=O)N(C)C1CC1 ZINC000054207220 173471266 /nfs/dbraw/zinc/47/12/66/173471266.db2.gz KQIPEAANWZYPLR-UHFFFAOYSA-N 0 0 222.263 2.102 10 0 BEAERN CNc1ccnc(C(=O)NCc2cccs2)c1 ZINC000050746639 173483718 /nfs/dbraw/zinc/48/37/18/173483718.db2.gz UGDBGPLUSPFPJZ-UHFFFAOYSA-N 0 0 247.323 2.115 10 0 BEAERN CNc1ccnc(Cc2ccccc2C)n1 ZINC000050852805 173484283 /nfs/dbraw/zinc/48/42/83/173484283.db2.gz OSYLLAJKUICCLA-UHFFFAOYSA-N 0 0 213.284 2.418 10 0 BEAERN CNc1nc(-c2cc(C)ccn2)nc2c1CCC2 ZINC000104419714 173485043 /nfs/dbraw/zinc/48/50/43/173485043.db2.gz DHZOWEHKMKZXJQ-UHFFFAOYSA-N 0 0 240.310 2.377 10 0 BEAERN CNc1nc(-c2cnn(C)c2)nc(C)c1C(C)C ZINC000061687516 173485975 /nfs/dbraw/zinc/48/59/75/173485975.db2.gz BKIMCNMSQBHPIW-UHFFFAOYSA-N 0 0 245.330 2.351 10 0 BEAERN COC(=O)CCNc1ccc2ccccc2n1 ZINC000037485723 173564419 /nfs/dbraw/zinc/56/44/19/173564419.db2.gz LNEAGSQXBMYVEM-UHFFFAOYSA-N 0 0 230.267 2.210 10 0 BEAERN COC(=O)C[C@@H]1C=CC=C[C@]1(O)C1CCCC1 ZINC000095630368 173626351 /nfs/dbraw/zinc/62/63/51/173626351.db2.gz SEAGJNIQYGDOEE-JSGCOSHPSA-N 0 0 236.311 2.213 10 0 BEAERN COC(=O)C[C@H]1CNc2cccc(Cl)c21 ZINC000095931313 173638781 /nfs/dbraw/zinc/63/87/81/173638781.db2.gz HKRICSMTYAIRDF-ZETCQYMHSA-N 0 0 225.675 2.412 10 0 BEAERN COC(=O)Cc1ccc2ccccc2c1O ZINC000141086302 173642584 /nfs/dbraw/zinc/64/25/84/173642584.db2.gz DXJZIKGYUDYQQD-UHFFFAOYSA-N 0 0 216.236 2.261 10 0 BEAERN COC(=O)Cn1c(=S)[nH]c2cccc(F)c21 ZINC000075953147 173644610 /nfs/dbraw/zinc/64/46/10/173644610.db2.gz ODCDJPFMONVICQ-UHFFFAOYSA-N 0 0 240.259 2.011 10 0 BEAERN COC(=O)Nc1cc2cccnc2nc1C ZINC000039109930 173663027 /nfs/dbraw/zinc/66/30/27/173663027.db2.gz COOSYZTVLBWYQE-UHFFFAOYSA-N 0 0 217.228 2.117 10 0 BEAERN COC(=O)[C@@H](C)C(=O)Cc1cc(C)cc(C)c1 ZINC000053749819 173666235 /nfs/dbraw/zinc/66/62/35/173666235.db2.gz NWWNPUUFMPYLIQ-NSHDSACASA-N 0 0 234.295 2.224 10 0 BEAERN COC(=O)[C@@H](C)Nc1cc(F)c(F)cc1F ZINC000061093800 173691682 /nfs/dbraw/zinc/69/16/82/173691682.db2.gz IYMIFQVKOZWDMK-RXMQYKEDSA-N 0 0 233.189 2.077 10 0 BEAERN COC(=O)[C@@H]1CC[C@@H](c2ccccc2C)CN1 ZINC000079026405 173731102 /nfs/dbraw/zinc/73/11/02/173731102.db2.gz DHMSYKCKJJPEIN-YPMHNXCESA-N 0 0 233.311 2.004 10 0 BEAERN COC(=O)c1c(Cl)nc(Cl)nc1Cl ZINC000039437451 173843107 /nfs/dbraw/zinc/84/31/07/173843107.db2.gz QQYFJQHMJIBLKL-UHFFFAOYSA-N 0 0 241.461 2.223 10 0 BEAERN COC(=O)c1ccc(F)c(-c2ncccc2O)c1 ZINC000065339494 173880132 /nfs/dbraw/zinc/88/01/32/173880132.db2.gz OXINYUCKFWMINC-UHFFFAOYSA-N 0 0 247.225 2.380 10 0 BEAERN COC(=O)c1ccc2ccc(OC)cc2c1O ZINC000082298428 173891932 /nfs/dbraw/zinc/89/19/32/173891932.db2.gz WGRQAMACYMSQLH-UHFFFAOYSA-N 0 0 232.235 2.341 10 0 BEAERN COC(=O)c1ccccc1N[C@@H]1CCSC1 ZINC000036891415 173900633 /nfs/dbraw/zinc/90/06/33/173900633.db2.gz MVWRYZQAXYWBSJ-SECBINFHSA-N 0 0 237.324 2.391 10 0 BEAERN COCC1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000112431576 174118294 /nfs/dbraw/zinc/11/82/94/174118294.db2.gz HNDMCUTVGFEVMQ-NSHDSACASA-N 0 0 242.363 2.099 10 0 BEAERN COCCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116041636 174162651 /nfs/dbraw/zinc/16/26/51/174162651.db2.gz NVOWOAFKEKJQOF-NSHDSACASA-N 0 0 237.299 2.370 10 0 BEAERN COCCCC(=O)NC1CCC(C)(C)CC1 ZINC000127991507 174163470 /nfs/dbraw/zinc/16/34/70/174163470.db2.gz TXDMJLPVUCSHJR-UHFFFAOYSA-N 0 0 227.348 2.498 10 0 BEAERN COCCCCCS[C@H]1CCCCNC1=O ZINC000116911310 174185925 /nfs/dbraw/zinc/18/59/25/174185925.db2.gz ZLVJNLLDQYNHNA-NSHDSACASA-N 0 0 245.388 2.205 10 0 BEAERN COCCCNc1ncnc2ccccc21 ZINC000003161224 174253248 /nfs/dbraw/zinc/25/32/48/174253248.db2.gz VGMIGKZUVDQQKN-UHFFFAOYSA-N 0 0 217.272 2.078 10 0 BEAERN COCCCOCC(=O)c1ccc(F)c(F)c1 ZINC000037747526 174253864 /nfs/dbraw/zinc/25/38/64/174253864.db2.gz TZUKFTUAYACKOL-UHFFFAOYSA-N 0 0 244.237 2.201 10 0 BEAERN COCCN[C@@H](Cc1ccccc1)C(F)F ZINC000336763087 174338574 /nfs/dbraw/zinc/33/85/74/174338574.db2.gz LXGNPSUTUSCBHT-NSHDSACASA-N 0 0 229.270 2.099 10 0 BEAERN COCCNc1cc(-c2cccc(F)c2)[nH]n1 ZINC000062669710 174340877 /nfs/dbraw/zinc/34/08/77/174340877.db2.gz AOSJGOQIZKOEFK-UHFFFAOYSA-N 0 0 235.262 2.274 10 0 BEAERN COCCOc1cccc2c1N[C@@H](C)CC2 ZINC000019965375 174370181 /nfs/dbraw/zinc/37/01/81/174370181.db2.gz MLIBSBIPYRTIMQ-JTQLQIEISA-N 0 0 221.300 2.458 10 0 BEAERN COCCOc1nccc(C)c1Br ZINC000096032765 174370645 /nfs/dbraw/zinc/37/06/45/174370645.db2.gz ZSRDVGLIYIOXKL-UHFFFAOYSA-N 0 0 246.104 2.178 10 0 BEAERN COC[C@@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000103370887 174434652 /nfs/dbraw/zinc/43/46/52/174434652.db2.gz BLAFNQHOVWYKHK-LLVKDONJSA-N 0 0 227.348 2.449 10 0 BEAERN COC[C@@H](C)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000171435560 174434726 /nfs/dbraw/zinc/43/47/26/174434726.db2.gz QXFZREMXSKHINJ-RISCZKNCSA-N 0 0 247.338 2.415 10 0 BEAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000103355827 174437777 /nfs/dbraw/zinc/43/77/77/174437777.db2.gz VJMXMXOAAACQRD-GHMZBOCLSA-N 0 0 221.300 2.146 10 0 BEAERN COC[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000103356010 174438822 /nfs/dbraw/zinc/43/88/22/174438822.db2.gz FEUVIKCJJLUEDE-SNVBAGLBSA-N 0 0 207.273 2.216 10 0 BEAERN COC[C@@H](C)N(C)c1ccc(C(C)=O)cc1F ZINC000042518488 174448897 /nfs/dbraw/zinc/44/88/97/174448897.db2.gz QLPHGBSMFMHUTH-SECBINFHSA-N 0 0 239.290 2.499 10 0 BEAERN COC[C@H](C)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000103385320 174526660 /nfs/dbraw/zinc/52/66/60/174526660.db2.gz CTXNAOCBVBYLPE-WOPDTQHZSA-N 0 0 227.348 2.211 10 0 BEAERN COC[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000103355825 174528325 /nfs/dbraw/zinc/52/83/25/174528325.db2.gz VJMXMXOAAACQRD-WDEREUQCSA-N 0 0 221.300 2.146 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccc2ncccc2c1 ZINC000103380584 174528649 /nfs/dbraw/zinc/52/86/49/174528649.db2.gz LUBZXXQCZYNHHO-JTQLQIEISA-N 0 0 244.294 2.456 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(C(C)=O)cc1 ZINC000103356236 174528860 /nfs/dbraw/zinc/52/88/60/174528860.db2.gz AHJOIBYWVGKJOP-VIFPVBQESA-N 0 0 236.267 2.077 10 0 BEAERN COC[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000103358099 174529063 /nfs/dbraw/zinc/52/90/63/174529063.db2.gz ZJGJTOFDJRNWGY-VIFPVBQESA-N 0 0 235.283 2.110 10 0 BEAERN COC[C@H](C)N(C)CC(=O)c1ccccc1C ZINC000042518901 174537168 /nfs/dbraw/zinc/53/71/68/174537168.db2.gz FGYFMGVRVGHHLK-LBPRGKRZSA-N 0 0 235.327 2.144 10 0 BEAERN COCc1cccc(NC(=O)[C@@H](C)COC)c1 ZINC000103373497 174632403 /nfs/dbraw/zinc/63/24/03/174632403.db2.gz IAEFPXKQBGQQQD-JTQLQIEISA-N 0 0 237.299 2.054 10 0 BEAERN COCc1nsc(N[C@H](C)C(C)C)n1 ZINC000301455822 174653070 /nfs/dbraw/zinc/65/30/70/174653070.db2.gz WMYHYMCZSOJCIF-SSDOTTSWSA-N 0 0 215.322 2.141 10 0 BEAERN CO[C@@H]1CCC[C@H]1Nc1cc(F)ccc1N ZINC000052122135 174753861 /nfs/dbraw/zinc/75/38/61/174753861.db2.gz OITKCNZYUNVCTG-ZYHUDNBSSA-N 0 0 224.279 2.387 10 0 BEAERN CO[C@@H]1CC[C@H](NC(=O)N[C@@H](C)CC2CC2)C1 ZINC000248808309 174764558 /nfs/dbraw/zinc/76/45/58/174764558.db2.gz WVEIMYBOFFPWPK-ZMLRMANQSA-N 0 0 240.347 2.042 10 0 BEAERN CO[C@H](C)c1nsc(N[C@@H]2C[C@@H]2C)n1 ZINC000306530692 174856171 /nfs/dbraw/zinc/85/61/71/174856171.db2.gz DRSUFSPYWFGDPW-RRKCRQDMSA-N 0 0 213.306 2.066 10 0 BEAERN COc1c(Br)c(C2CC2)nn1C ZINC000082346406 174918770 /nfs/dbraw/zinc/91/87/70/174918770.db2.gz XVQAFNWDDKYQMR-UHFFFAOYSA-N 0 0 231.093 2.069 10 0 BEAERN COc1c(N)c(Cl)c(C)cc1N(C)C ZINC000083227929 174932994 /nfs/dbraw/zinc/93/29/94/174932994.db2.gz YTRMXKYELDXOQW-UHFFFAOYSA-N 0 0 214.696 2.305 10 0 BEAERN COc1cc(Cl)c(C(N)=O)cc1Cl ZINC000082598036 174988294 /nfs/dbraw/zinc/98/82/94/174988294.db2.gz BGXJVASCBPFIBM-UHFFFAOYSA-N 0 0 220.055 2.101 10 0 BEAERN COc1cc(Cl)c([C@H](O)CO)cc1Cl ZINC000071547548 174989711 /nfs/dbraw/zinc/98/97/11/174989711.db2.gz XIXJYANPARLIRD-MRVPVSSYSA-N 0 0 237.082 2.028 10 0 BEAERN COc1cc(Cl)nc(-c2ccncc2)n1 ZINC000058047976 174990695 /nfs/dbraw/zinc/99/06/95/174990695.db2.gz YXZUCQCSVOGUTG-UHFFFAOYSA-N 0 0 221.647 2.201 10 0 BEAERN COc1cc(N)cc(N2CCC[C@H]2C)c1 ZINC000087794211 174996393 /nfs/dbraw/zinc/99/63/93/174996393.db2.gz NJWSSTAXWFFHRB-SECBINFHSA-N 0 0 206.289 2.266 10 0 BEAERN COc1cc(NCC(F)F)cc(OC)c1OC ZINC000037755706 175001255 /nfs/dbraw/zinc/00/12/55/175001255.db2.gz IWBNVNWHBYNAPW-UHFFFAOYSA-N 0 0 247.241 2.389 10 0 BEAERN COc1cc(OC)c(OC)c2c1C[C@H](C)C2=O ZINC000041269291 175007323 /nfs/dbraw/zinc/00/73/23/175007323.db2.gz WXQKCNLPPUVQCD-ZETCQYMHSA-N 0 0 236.267 2.087 10 0 BEAERN COc1cc2[nH]c(C)c(C)c(=O)c2c(OC)c1 ZINC000037947579 175008276 /nfs/dbraw/zinc/00/82/76/175008276.db2.gz WEDZCLFZEUOBOJ-UHFFFAOYSA-N 0 0 233.267 2.162 10 0 BEAERN COc1cc(OC)cc([C@H](N)C(F)(F)F)c1 ZINC000043464001 175011649 /nfs/dbraw/zinc/01/16/49/175011649.db2.gz CZDLNNOZLPYHOG-VIFPVBQESA-N 0 0 235.205 2.266 10 0 BEAERN COc1cc(OC[C@H]2CCCCO2)ccc1N ZINC000104235762 175011823 /nfs/dbraw/zinc/01/18/23/175011823.db2.gz KOJIDWULURMQIO-LLVKDONJSA-N 0 0 237.299 2.225 10 0 BEAERN COc1cc(OC2CC2)cc(Br)n1 ZINC000095730607 175012350 /nfs/dbraw/zinc/01/23/50/175012350.db2.gz IJYRBWGUFHIZQP-UHFFFAOYSA-N 0 0 244.088 2.394 10 0 BEAERN COc1cc([C@@H]2CC[C@@H]2O)c(OC)cc1C ZINC000095831259 175015233 /nfs/dbraw/zinc/01/52/33/175015233.db2.gz VHPRRUPLZOBGOU-ONGXEEELSA-N 0 0 222.284 2.251 10 0 BEAERN COc1cc2c(CCNC(C)=O)c[nH]c2cc1C ZINC000169339717 175019220 /nfs/dbraw/zinc/01/92/20/175019220.db2.gz BVTKDGMDOKNESX-UHFFFAOYSA-N 0 0 246.310 2.164 10 0 BEAERN COc1cc2c(cc1C(=O)CO)C=CC(C)(C)O2 ZINC000014454937 175020223 /nfs/dbraw/zinc/02/02/23/175020223.db2.gz JOWYWQXFPOGGCH-UHFFFAOYSA-N 0 0 248.278 2.054 10 0 BEAERN COc1cc2c(cc1Cl)NC(=O)[C@@H]2C ZINC000082595184 175022940 /nfs/dbraw/zinc/02/29/40/175022940.db2.gz FAWJLWJXEXQQTC-RXMQYKEDSA-N 0 0 211.648 2.404 10 0 BEAERN COc1ccc(-c2cc(N)nc(C)n2)cc1 ZINC000001736160 175031573 /nfs/dbraw/zinc/03/15/73/175031573.db2.gz HNASNFXTZJHGEG-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccc(-c2cc(N)on2)cc1F ZINC000003704651 175032362 /nfs/dbraw/zinc/03/23/62/175032362.db2.gz YWNGQKIWTGJIIR-UHFFFAOYSA-N 0 0 208.192 2.072 10 0 BEAERN COc1ccc(-c2ccc(CO)cn2)cc1OC ZINC000035630065 175033144 /nfs/dbraw/zinc/03/31/44/175033144.db2.gz DTIFFLKPELEAQR-UHFFFAOYSA-N 0 0 245.278 2.258 10 0 BEAERN COc1ccc(-c2ccc(OC)cn2)nc1 ZINC000035653877 175034550 /nfs/dbraw/zinc/03/45/50/175034550.db2.gz DFRLOACZMMQQBC-UHFFFAOYSA-N 0 0 216.240 2.161 10 0 BEAERN COc1ccc(-c2cccs2)nc1N ZINC000082730330 175035140 /nfs/dbraw/zinc/03/51/40/175035140.db2.gz IWCUUHJQPXQFJO-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccc(-c2nc(C3CC3)no2)c(N)c1 ZINC000082542908 175039097 /nfs/dbraw/zinc/03/90/97/175039097.db2.gz GEHUPMHRVSOQOU-UHFFFAOYSA-N 0 0 231.255 2.205 10 0 BEAERN COc1ccc(-c2nc(=O)c3c[nH]ccn2-3)cc1 ZINC000006009130 175039468 /nfs/dbraw/zinc/03/94/68/175039468.db2.gz YJFMANXAPDFTKG-UHFFFAOYSA-N 0 0 241.250 2.111 10 0 BEAERN COc1ccc(-c2nc(N)oc2C)cc1 ZINC000050266294 175040141 /nfs/dbraw/zinc/04/01/41/175040141.db2.gz LUBYSMHFBDJNKM-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(-c2nnc(N)cc2C)cc1 ZINC000054931005 175042799 /nfs/dbraw/zinc/04/27/99/175042799.db2.gz FXQAVDJQZZMZQX-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1ccc(-n2c3cc[nH]c3ccc2=O)cc1 ZINC000150289075 175043826 /nfs/dbraw/zinc/04/38/26/175043826.db2.gz JWZIHVWWROSUBM-UHFFFAOYSA-N 0 0 240.262 2.327 10 0 BEAERN COc1ccc(-n2nc(C(C)C)cc2CO)cc1 ZINC000019045832 175045107 /nfs/dbraw/zinc/04/51/07/175045107.db2.gz VSJOMWCDEPWWIN-UHFFFAOYSA-N 0 0 246.310 2.497 10 0 BEAERN COc1ccc(C(=O)CCC(C)=O)cc1OC ZINC000033465672 175053592 /nfs/dbraw/zinc/05/35/92/175053592.db2.gz BHPGLGYAYDXSRE-UHFFFAOYSA-N 0 0 236.267 2.256 10 0 BEAERN COc1ccc(C(=O)N2CCCC[C@H]2C)c(N)c1 ZINC000082697685 175056181 /nfs/dbraw/zinc/05/61/81/175056181.db2.gz DZCCTFFCIFKYIV-SNVBAGLBSA-N 0 0 248.326 2.292 10 0 BEAERN COc1ccc(C(=O)N2CCC[C@@H](C)C2)c(N)c1 ZINC000082697703 175056183 /nfs/dbraw/zinc/05/61/83/175056183.db2.gz VJRIYVZHAZJOBG-SNVBAGLBSA-N 0 0 248.326 2.150 10 0 BEAERN COc1ccc(C(=O)c2ccncc2)c(OC)c1 ZINC000055232683 175066693 /nfs/dbraw/zinc/06/66/93/175066693.db2.gz QMBGLWZOJBSSAM-UHFFFAOYSA-N 0 0 243.262 2.330 10 0 BEAERN COc1ccc(C(C)C)cc1[C@@](C)([NH3+])C(=O)[O-] ZINC000003677113 175069115 /nfs/dbraw/zinc/06/91/15/175069115.db2.gz ZIFNFNYWDFPHOF-CYBMUJFWSA-N 0 0 237.299 2.077 10 0 BEAERN COc1ccc(C)cc1-c1cc(N)on1 ZINC000041212561 175071735 /nfs/dbraw/zinc/07/17/35/175071735.db2.gz LMNAWQUSNJGKOR-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1ccc(C)cc1-c1csc(=NN)[nH]1 ZINC000019788158 175072464 /nfs/dbraw/zinc/07/24/64/175072464.db2.gz KSAYQZQNKMSXBS-UHFFFAOYSA-N 0 0 235.312 2.413 10 0 BEAERN COc1ccc(C)cc1N[C@H]1CCC[C@@H]1O ZINC000037689843 175078267 /nfs/dbraw/zinc/07/82/67/175078267.db2.gz MPMGDZIUWKOFGI-JQWIXIFHSA-N 0 0 221.300 2.329 10 0 BEAERN COc1ccc(C)cc1[C@@H](O)Cc1ncc[nH]1 ZINC000052943896 175080611 /nfs/dbraw/zinc/08/06/11/175080611.db2.gz COCHZCINYDZIBL-NSHDSACASA-N 0 0 232.283 2.003 10 0 BEAERN COc1ccc(C2OCCCO2)c(OC)c1 ZINC000049819651 175085785 /nfs/dbraw/zinc/08/57/85/175085785.db2.gz GLTIYOAHSSLZET-UHFFFAOYSA-N 0 0 224.256 2.139 10 0 BEAERN COc1ccc(C=O)c(OCCCCCO)c1 ZINC000051021309 175085838 /nfs/dbraw/zinc/08/58/38/175085838.db2.gz AWTHELOERQMNEQ-UHFFFAOYSA-N 0 0 238.283 2.049 10 0 BEAERN COc1ccc(CN[C@H](C)c2cc[nH]n2)cc1 ZINC000037906468 175111100 /nfs/dbraw/zinc/11/11/00/175111100.db2.gz TWARTGUVDIPXBE-SNVBAGLBSA-N 0 0 231.299 2.269 10 0 BEAERN COc1ccc(COc2ncccc2N)cc1 ZINC000019965613 175113966 /nfs/dbraw/zinc/11/39/66/175113966.db2.gz LYLCZRVFLAQBHU-UHFFFAOYSA-N 0 0 230.267 2.251 10 0 BEAERN COc1ccc(Cl)cc1[C@@H]([NH3+])CCC(=O)[O-] ZINC000057955804 175122042 /nfs/dbraw/zinc/12/20/42/175122042.db2.gz WBPWGLHCXVEQNG-VIFPVBQESA-N 0 0 243.690 2.213 10 0 BEAERN COc1ccc(Cl)cc1[C@H]([NH3+])CCC(=O)[O-] ZINC000057955803 175122706 /nfs/dbraw/zinc/12/27/06/175122706.db2.gz WBPWGLHCXVEQNG-SECBINFHSA-N 0 0 243.690 2.213 10 0 BEAERN COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000291290062 175129566 /nfs/dbraw/zinc/12/95/66/175129566.db2.gz VNFVLNUMTFVFBN-KWQFWETISA-N 0 0 209.264 2.332 10 0 BEAERN COc1ccc(F)cc1Cc1cccnc1N ZINC000082344843 175131095 /nfs/dbraw/zinc/13/10/95/175131095.db2.gz NRQCSSUJEYFBQP-UHFFFAOYSA-N 0 0 232.258 2.402 10 0 BEAERN COc1ccc(F)cc1[C@H](O)[C@@H]1CCCOC1 ZINC000062239674 175134488 /nfs/dbraw/zinc/13/44/88/175134488.db2.gz GBUFBXWJGQYTNG-NOZJJQNGSA-N 0 0 240.274 2.294 10 0 BEAERN COc1ccc(N)c(C(=O)OC(C)(C)C)c1 ZINC000041046616 175137521 /nfs/dbraw/zinc/13/75/21/175137521.db2.gz XZVKTHWKELEZCA-UHFFFAOYSA-N 0 0 223.272 2.233 10 0 BEAERN COc1ccc(N)c(C(=O)N2CCC(C)CC2)c1 ZINC000037846635 175137603 /nfs/dbraw/zinc/13/76/03/175137603.db2.gz LLKKYLQSLUIIOE-UHFFFAOYSA-N 0 0 248.326 2.150 10 0 BEAERN COc1ccc(N)c(-c2n[nH]c(C(C)C)n2)c1 ZINC000082546615 175137630 /nfs/dbraw/zinc/13/76/30/175137630.db2.gz FRKOKAHVNRCFNC-UHFFFAOYSA-N 0 0 232.287 2.186 10 0 BEAERN COc1ccc(N)cc1-c1n[nH]c(CC(C)C)n1 ZINC000072237635 175137944 /nfs/dbraw/zinc/13/79/44/175137944.db2.gz FTUBRCAOPGIQIY-UHFFFAOYSA-N 0 0 246.314 2.261 10 0 BEAERN COc1ccc(N)cc1Oc1ccccn1 ZINC000036667281 175138742 /nfs/dbraw/zinc/13/87/42/175138742.db2.gz LOUXCVZNRPSFEZ-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccc(NC[C@@H]2CCOC2)c(C)c1 ZINC000061565814 175151694 /nfs/dbraw/zinc/15/16/94/175151694.db2.gz QWNRXMCJNCSXOI-NSHDSACASA-N 0 0 221.300 2.452 10 0 BEAERN COc1ccc(NCCn2ccnc2C)cc1 ZINC000049329958 175151759 /nfs/dbraw/zinc/15/17/59/175151759.db2.gz ZKIJSUSUGZEMFP-UHFFFAOYSA-N 0 0 231.299 2.312 10 0 BEAERN COc1ccc(NC[C@H]2CCCO2)cc1F ZINC000037290748 175151998 /nfs/dbraw/zinc/15/19/98/175151998.db2.gz UCQNFPCPWMXZIA-SNVBAGLBSA-N 0 0 225.263 2.425 10 0 BEAERN COc1ccc(O)c(C(=O)N2C[C@@H]3CC[C@H]2C3)c1 ZINC000042266489 175158209 /nfs/dbraw/zinc/15/82/09/175158209.db2.gz HDPMXPPZZOTQIX-ZJUUUORDSA-N 0 0 247.294 2.025 10 0 BEAERN COc1ccc(O)c(Cc2ccccc2)n1 ZINC000001276238 175158998 /nfs/dbraw/zinc/15/89/98/175158998.db2.gz INDNBWJYUSKZSB-UHFFFAOYSA-N 0 0 215.252 2.387 10 0 BEAERN COc1ccc(O)c(SC(=O)N(C)C)c1 ZINC000074942515 175159316 /nfs/dbraw/zinc/15/93/16/175159316.db2.gz HOAZDTZXRFQISJ-UHFFFAOYSA-N 0 0 227.285 2.175 10 0 BEAERN COc1ccc(OC)c([C@]2(C)CCC(=O)O2)c1 ZINC000049828010 175169868 /nfs/dbraw/zinc/16/98/68/175169868.db2.gz CRWOWNQBYWNCTL-ZDUSSCGKSA-N 0 0 236.267 2.256 10 0 BEAERN COc1ccc(Oc2ccncc2)c(N)c1 ZINC000036667204 175173990 /nfs/dbraw/zinc/17/39/90/175173990.db2.gz ZBABIOCQJNVSHV-UHFFFAOYSA-N 0 0 216.240 2.465 10 0 BEAERN COc1ccc([C@@H]2CC[C@@H](O)C2)c(OC)c1 ZINC000057514811 175183276 /nfs/dbraw/zinc/18/32/76/175183276.db2.gz VPHFAOJKVPGTSM-NXEZZACHSA-N 0 0 222.284 2.332 10 0 BEAERN COc1ccc([C@H]([NH3+])CCCC(=O)[O-])c(F)c1 ZINC000036767246 175191848 /nfs/dbraw/zinc/19/18/48/175191848.db2.gz RSELXKHENJFVBJ-LLVKDONJSA-N 0 0 241.262 2.089 10 0 BEAERN COc1ccc([C@H](N)c2ccco2)c(F)c1 ZINC000036766496 175192611 /nfs/dbraw/zinc/19/26/11/175192611.db2.gz VNYMFKQGFVJMAI-LBPRGKRZSA-N 0 0 221.231 2.475 10 0 BEAERN COc1ccc2c(c1)NC(=O)[C@H](CC(C)C)N2 ZINC000082341869 175211423 /nfs/dbraw/zinc/21/14/23/175211423.db2.gz RQWXHXPFFZHLTK-LBPRGKRZSA-N 0 0 234.299 2.474 10 0 BEAERN COc1ccc2c(c1)c(C=O)c1n2CCC1 ZINC000033835878 175217586 /nfs/dbraw/zinc/21/75/86/175217586.db2.gz YNYGHOFSDIDVFK-UHFFFAOYSA-N 0 0 215.252 2.409 10 0 BEAERN COc1ccc2c(c1Br)C(=O)OC2 ZINC000096986856 175219732 /nfs/dbraw/zinc/21/97/32/175219732.db2.gz TYCFWVFLXBFMND-UHFFFAOYSA-N 0 0 243.056 2.128 10 0 BEAERN COc1cccc(-c2c(N)noc2C)c1 ZINC000082532043 175232867 /nfs/dbraw/zinc/23/28/67/175232867.db2.gz MBLHDFUSSTVQEE-UHFFFAOYSA-N 0 0 204.229 2.241 10 0 BEAERN COc1cccc(-c2cc(C)nc(N)n2)c1 ZINC000032537356 175233116 /nfs/dbraw/zinc/23/31/16/175233116.db2.gz DDXRJCJHXIUZJE-UHFFFAOYSA-N 0 0 215.256 2.043 10 0 BEAERN COc1cccc(-c2ccc(O)cn2)c1 ZINC000065355672 175234374 /nfs/dbraw/zinc/23/43/74/175234374.db2.gz JDTASFXMZJGDHU-UHFFFAOYSA-N 0 0 201.225 2.463 10 0 BEAERN COc1cccc(-c2csc(CO)n2)c1 ZINC000045206532 175234826 /nfs/dbraw/zinc/23/48/26/175234826.db2.gz XCECKPVZWWLDHV-UHFFFAOYSA-N 0 0 221.281 2.311 10 0 BEAERN COc1cccc(C(=O)N2CCC[C@H]2C)c1F ZINC000127955787 175243772 /nfs/dbraw/zinc/24/37/72/175243772.db2.gz PVOOYJXNWGAXOP-SECBINFHSA-N 0 0 237.274 2.459 10 0 BEAERN COc1cccc(C(=O)c2cncc(F)c2)c1 ZINC000049576041 175247472 /nfs/dbraw/zinc/24/74/72/175247472.db2.gz AZFZTKLRHMNYLL-UHFFFAOYSA-N 0 0 231.226 2.460 10 0 BEAERN COc1cccc(C=O)c1OCCOC(C)C ZINC000049259685 175249060 /nfs/dbraw/zinc/24/90/60/175249060.db2.gz UBSZEXGAZVLQMX-UHFFFAOYSA-N 0 0 238.283 2.312 10 0 BEAERN COc1cccc(CNC(=O)[C@@H]2CC=CCC2)n1 ZINC000128389542 175262195 /nfs/dbraw/zinc/26/21/95/175262195.db2.gz KWFVKEPWPSUOPU-LLVKDONJSA-N 0 0 246.310 2.063 10 0 BEAERN COc1cccc(CNc2ccc(N)cn2)c1 ZINC000038077969 175268562 /nfs/dbraw/zinc/26/85/62/175268562.db2.gz UJCGDMFHBRRQLG-UHFFFAOYSA-N 0 0 229.283 2.285 10 0 BEAERN COc1cccc(CNc2cccc(F)n2)n1 ZINC000083359539 175268886 /nfs/dbraw/zinc/26/88/86/175268886.db2.gz FXEGPAUBGTUZNU-UHFFFAOYSA-N 0 0 233.246 2.236 10 0 BEAERN COc1cccc(C[C@](C)(O)C2CC2)c1 ZINC000057494002 175272469 /nfs/dbraw/zinc/27/24/69/175272469.db2.gz UTRPQAOXJHOARR-ZDUSSCGKSA-N 0 0 206.285 2.399 10 0 BEAERN COc1cccc(NCc2c[nH]c(C)n2)c1 ZINC000054798135 175279269 /nfs/dbraw/zinc/27/92/69/175279269.db2.gz OIRCRKIFYZJJDU-UHFFFAOYSA-N 0 0 217.272 2.339 10 0 BEAERN COc1cccc(N[C@H](CC(C)C)C(N)=O)c1 ZINC000037944684 175280035 /nfs/dbraw/zinc/28/00/35/175280035.db2.gz PZNCWHZFGZEPEE-GFCCVEGCSA-N 0 0 236.315 2.007 10 0 BEAERN COc1cccc(OC2CC2)c1N(C)C ZINC000095728160 175282249 /nfs/dbraw/zinc/28/22/49/175282249.db2.gz DKKYLHRPBWRBDH-UHFFFAOYSA-N 0 0 207.273 2.302 10 0 BEAERN COc1cccc(OCCCC(N)=S)c1 ZINC000019431256 175282987 /nfs/dbraw/zinc/28/29/87/175282987.db2.gz TXYOUABUANINBH-UHFFFAOYSA-N 0 0 225.313 2.140 10 0 BEAERN COc1cccc([C@@H](N)c2noc(C(C)C)n2)c1 ZINC000036763829 175288727 /nfs/dbraw/zinc/28/87/27/175288727.db2.gz WWBXAHATAHDFOB-LLVKDONJSA-N 0 0 247.298 2.250 10 0 BEAERN COc1cccc([C@@H](O)c2ccncc2)c1F ZINC000075870970 175289820 /nfs/dbraw/zinc/28/98/20/175289820.db2.gz DPBNTPXTLWEJQB-ZDUSSCGKSA-N 0 0 233.242 2.311 10 0 BEAERN COc1cccc([C@H](N)c2noc(C(C)C)n2)c1 ZINC000036763831 175294854 /nfs/dbraw/zinc/29/48/54/175294854.db2.gz WWBXAHATAHDFOB-NSHDSACASA-N 0 0 247.298 2.250 10 0 BEAERN COc1cccc([C@H](O)Cc2ccccn2)c1 ZINC000037532740 175294873 /nfs/dbraw/zinc/29/48/73/175294873.db2.gz TWCYTOUSGHLHOG-CQSZACIVSA-N 0 0 229.279 2.366 10 0 BEAERN COc1cccc([C@H](O)C(C)C)c1OC ZINC000082676431 175294996 /nfs/dbraw/zinc/29/49/96/175294996.db2.gz XQGOBEURMFRJRO-LLVKDONJSA-N 0 0 210.273 2.393 10 0 BEAERN COc1cccc2[nH]c3c(c(=O)c21)CCCC3 ZINC000072141429 175297793 /nfs/dbraw/zinc/29/77/93/175297793.db2.gz YCJXMWQCDPTWNB-UHFFFAOYSA-N 0 0 229.279 2.416 10 0 BEAERN COc1cccc2c(O)cc(C(C)=O)c(O)c12 ZINC000038254688 175299870 /nfs/dbraw/zinc/29/98/70/175299870.db2.gz WJLUOLVLSLETQA-UHFFFAOYSA-N 0 0 232.235 2.462 10 0 BEAERN COc1cccc2c1C[C@@H](NC(=O)C(C)C)CC2 ZINC000013833091 175302975 /nfs/dbraw/zinc/30/29/75/175302975.db2.gz HZTOTRYTWHWECE-LBPRGKRZSA-N 0 0 247.338 2.325 10 0 BEAERN COc1ccccc1-c1c[nH]c(=O)s1 ZINC000072204732 175308282 /nfs/dbraw/zinc/30/82/82/175308282.db2.gz HJEUNSOCFJUHRZ-UHFFFAOYSA-N 0 0 207.254 2.112 10 0 BEAERN COc1cccc2sc(=NC#N)[nH]c21 ZINC000045236838 175308285 /nfs/dbraw/zinc/30/82/85/175308285.db2.gz NAJLKZORBXBTEC-UHFFFAOYSA-N 0 0 205.242 2.198 10 0 BEAERN COc1ccccc1-c1nc(N)cs1 ZINC000034331507 175310732 /nfs/dbraw/zinc/31/07/32/175310732.db2.gz KJKGDVQKNMDLCM-UHFFFAOYSA-N 0 0 206.270 2.401 10 0 BEAERN COc1ccccc1C[C@H]1CCC[C@@H]1O ZINC000043656332 175334038 /nfs/dbraw/zinc/33/40/38/175334038.db2.gz BEZPHADQLNSEQG-PWSUYJOCSA-N 0 0 206.285 2.399 10 0 BEAERN COc1ccccc1Cc1nc(CO)cs1 ZINC000057901017 175334548 /nfs/dbraw/zinc/33/45/48/175334548.db2.gz IGTBNONIXOFNCQ-UHFFFAOYSA-N 0 0 235.308 2.235 10 0 BEAERN COc1ccccc1NC[C@@H](O)c1ccco1 ZINC000033464876 175337355 /nfs/dbraw/zinc/33/73/55/175337355.db2.gz WVQZMTCIIDBZNQ-LLVKDONJSA-N 0 0 233.267 2.434 10 0 BEAERN COc1ccccc1[C@@H](N)c1noc(C(C)C)n1 ZINC000036763648 175347050 /nfs/dbraw/zinc/34/70/50/175347050.db2.gz XAHODRWZXQBQBJ-LLVKDONJSA-N 0 0 247.298 2.250 10 0 BEAERN COc1ccccc1[C@H](O)Cn1nc(C)cc1C ZINC000041297292 175354251 /nfs/dbraw/zinc/35/42/51/175354251.db2.gz PIWRZZRWJXXJLX-CYBMUJFWSA-N 0 0 246.310 2.242 10 0 BEAERN COc1ccccc1[C@H]1NCCn2cccc21 ZINC000031889911 175355350 /nfs/dbraw/zinc/35/53/50/175355350.db2.gz HAXUYGNZMKJJMM-CQSZACIVSA-N 0 0 228.295 2.189 10 0 BEAERN COc1cccn2c(N)c(-c3ccco3)nc12 ZINC000104364351 175356136 /nfs/dbraw/zinc/35/61/36/175356136.db2.gz DKBCEWPBRQACNR-UHFFFAOYSA-N 0 0 229.239 2.185 10 0 BEAERN COc1cnc(SC)cc1OC1CC1 ZINC000095731040 175382183 /nfs/dbraw/zinc/38/21/83/175382183.db2.gz UVPYDFUHMQMSAB-UHFFFAOYSA-N 0 0 211.286 2.353 10 0 BEAERN COc1cnnc(-c2ccccc2)c1OC ZINC000091365944 175387247 /nfs/dbraw/zinc/38/72/47/175387247.db2.gz RUCFMJGASFQUFN-UHFFFAOYSA-N 0 0 216.240 2.161 10 0 BEAERN COc1nc(Cl)nc(C2CC2)c1F ZINC000091692456 175392507 /nfs/dbraw/zinc/39/25/07/175392507.db2.gz ASSKHPUMARKLEX-UHFFFAOYSA-N 0 0 202.616 2.155 10 0 BEAERN COc1nc(N(CC(C)C)C2CC2)ccc1N ZINC000042556505 175392665 /nfs/dbraw/zinc/39/26/65/175392665.db2.gz STSWKUYGKRMLJI-UHFFFAOYSA-N 0 0 235.331 2.297 10 0 BEAERN COc1nc(N[C@@H](C)c2ccncc2)ccc1N ZINC000035693179 175395365 /nfs/dbraw/zinc/39/53/65/175395365.db2.gz MBDZVSNCEJKUKR-VIFPVBQESA-N 0 0 244.298 2.241 10 0 BEAERN COc1nc(N[C@@H](C)c2cccnc2)ccc1N ZINC000035692023 175396086 /nfs/dbraw/zinc/39/60/86/175396086.db2.gz FSQALBQZLVFVAB-VIFPVBQESA-N 0 0 244.298 2.241 10 0 BEAERN COc1nc(N[C@H](C)c2ccncc2)ccc1N ZINC000035693181 175396102 /nfs/dbraw/zinc/39/61/02/175396102.db2.gz MBDZVSNCEJKUKR-SECBINFHSA-N 0 0 244.298 2.241 10 0 BEAERN CSC1=NCCCN(C(=O)OC(C)(C)C)C1 ZINC000066351435 175456277 /nfs/dbraw/zinc/45/62/77/175456277.db2.gz HOMSWQJNYAOOHO-UHFFFAOYSA-N 0 0 244.360 2.389 10 0 BEAERN CSCC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000047435368 175457039 /nfs/dbraw/zinc/45/70/39/175457039.db2.gz RBMQOWRSRGAIGW-LLVKDONJSA-N 0 0 236.340 2.108 10 0 BEAERN C[C@@H](C(=O)N1CCC[C@@H]1c1cnn(C)c1)C1CC1 ZINC000175308936 175604779 /nfs/dbraw/zinc/60/47/79/175604779.db2.gz WYFBYBTWUUNRDB-ZWNOBZJWSA-N 0 0 247.342 2.130 10 0 BEAERN C[C@@H](C(=O)NC1(C)CCC1)c1cccnc1 ZINC000125317375 175609959 /nfs/dbraw/zinc/60/99/59/175609959.db2.gz WBXJIXCTACBCBZ-SNVBAGLBSA-N 0 0 218.300 2.244 10 0 BEAERN C[C@H](c1ccccc1F)[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000062015326 175623648 /nfs/dbraw/zinc/62/36/48/175623648.db2.gz PACQKHREJMBCIQ-BDAKNGLRSA-N 0 0 225.263 2.292 10 0 BEAERN C[C@@H](CO)Nc1nnc(Cl)c2ccccc21 ZINC000050529353 175758838 /nfs/dbraw/zinc/75/88/38/175758838.db2.gz AZPXZXBMQMRYGR-ZETCQYMHSA-N 0 0 237.690 2.076 10 0 BEAERN C[C@@H](Nc1ccc(O)cc1)c1cc[nH]n1 ZINC000037908136 175931359 /nfs/dbraw/zinc/93/13/59/175931359.db2.gz AKZQVEUAZKMVPG-MRVPVSSYSA-N 0 0 203.245 2.288 10 0 BEAERN C[C@@H](Nc1ccncn1)c1ccccc1N ZINC000040863566 175935911 /nfs/dbraw/zinc/93/59/11/175935911.db2.gz XETSTJLAFNFGEP-SECBINFHSA-N 0 0 214.272 2.232 10 0 BEAERN C[C@@H](Nc1cnn(C)c1)c1nccs1 ZINC000083142660 175936851 /nfs/dbraw/zinc/93/68/51/175936851.db2.gz FRECWROPMQNABS-SSDOTTSWSA-N 0 0 208.290 2.050 10 0 BEAERN C[C@@H](O)[C@@H](C)Oc1cccc2cccnc21 ZINC000044232779 175993102 /nfs/dbraw/zinc/99/31/02/175993102.db2.gz VPUKOZQERFYCSZ-NXEZZACHSA-N 0 0 217.268 2.383 10 0 BEAERN C[C@@H](O)c1ccccc1NC(=O)c1cccn1C ZINC000049549728 175999867 /nfs/dbraw/zinc/99/98/67/175999867.db2.gz YMLJTSLMGBMKSX-SNVBAGLBSA-N 0 0 244.294 2.331 10 0 BEAERN C[C@@H](O)c1ccccc1NCc1ccnn1C ZINC000049542874 176000233 /nfs/dbraw/zinc/00/02/33/176000233.db2.gz DIQFKXSYFVEJDE-SNVBAGLBSA-N 0 0 231.299 2.086 10 0 BEAERN C[C@@H](O)c1nc2ccccc2n1CC1CC1 ZINC000181499127 176000869 /nfs/dbraw/zinc/00/08/69/176000869.db2.gz OUXPROLUTGPQPC-SECBINFHSA-N 0 0 216.284 2.500 10 0 BEAERN C[C@@H](O)c1sc(N)nc1-c1ccccc1 ZINC000021951711 176001270 /nfs/dbraw/zinc/00/12/70/176001270.db2.gz TWJKUUICZCGOLD-SSDOTTSWSA-N 0 0 220.297 2.446 10 0 BEAERN C[C@@H](Oc1cccc2cccnc21)C(N)=S ZINC000041258998 176005930 /nfs/dbraw/zinc/00/59/30/176005930.db2.gz XRJHFJNDVZAMST-MRVPVSSYSA-N 0 0 232.308 2.288 10 0 BEAERN C[C@@H](SCCCO)C(=O)c1ccccc1 ZINC000058258202 176008262 /nfs/dbraw/zinc/00/82/62/176008262.db2.gz XNXRDXPIDSDLKL-SNVBAGLBSA-N 0 0 224.325 2.373 10 0 BEAERN C[C@@H](c1ccccc1F)n1nccc1N ZINC000019689220 176025484 /nfs/dbraw/zinc/02/54/84/176025484.db2.gz UEYSPLXAKIQTLZ-QMMMGPOBSA-N 0 0 205.236 2.214 10 0 BEAERN C[C@@H](c1ccccn1)N1CCC(=O)[C@H](C)C1 ZINC000049693732 176027615 /nfs/dbraw/zinc/02/76/15/176027615.db2.gz QHULROLQMGRQAQ-MNOVXSKESA-N 0 0 218.300 2.054 10 0 BEAERN C[C@@H](c1ccncc1)n1ncc(Cl)c1N ZINC000043665422 176036383 /nfs/dbraw/zinc/03/63/83/176036383.db2.gz FQUKPVNGARAMHO-ZETCQYMHSA-N 0 0 222.679 2.123 10 0 BEAERN C[C@@H]1CC(Nc2ccccn2)C[C@@H](C)O1 ZINC000301980139 176055562 /nfs/dbraw/zinc/05/55/62/176055562.db2.gz XNZPHHNAFFJHDZ-NXEZZACHSA-N 0 0 206.289 2.450 10 0 BEAERN C[C@@H]1CCCC(=O)N1C(=O)OC(C)(C)C ZINC000034583632 176062445 /nfs/dbraw/zinc/06/24/45/176062445.db2.gz YAGAVXVWDVQSSM-MRVPVSSYSA-N 0 0 213.277 2.323 10 0 BEAERN C[C@@H]1CCCC[C@@H]1[N@H+](C)C(C)(C)C(=O)[O-] ZINC000042613698 176077960 /nfs/dbraw/zinc/07/79/60/176077960.db2.gz VPBVSRLICHJPHS-ZJUUUORDSA-N 0 0 213.321 2.360 10 0 BEAERN C[C@@H]1CCCC[C@H]1N(C)Cc1nnsc1N ZINC000050816845 176086971 /nfs/dbraw/zinc/08/69/71/176086971.db2.gz MVSYBFUBZOAUBP-PSASIEDQSA-N 0 0 240.376 2.131 10 0 BEAERN C[C@@H]1CCCC[C@H]1Oc1cc(C(N)=O)ccc1N ZINC000103954678 176090321 /nfs/dbraw/zinc/09/03/21/176090321.db2.gz VIRNMTOUPGFUCY-BXKDBHETSA-N 0 0 248.326 2.325 10 0 BEAERN C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc(N)cc12 ZINC000062832616 176106451 /nfs/dbraw/zinc/10/64/51/176106451.db2.gz WGDIABGZPOBALL-SECBINFHSA-N 0 0 243.310 2.375 10 0 BEAERN C[C@@H]1CCC[N@@H+]1CC1(C(=O)[O-])CCCC1 ZINC000051286385 176109387 /nfs/dbraw/zinc/10/93/87/176109387.db2.gz NBKQERWXKDWXFZ-SNVBAGLBSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccnc2N)C1 ZINC000050707489 176120719 /nfs/dbraw/zinc/12/07/19/176120719.db2.gz UBDHPBZLMYIMNO-GHMZBOCLSA-N 0 0 247.342 2.315 10 0 BEAERN C[C@@H]1CCC[C@@H](OC(=O)c2cc(N)c[nH]2)C1 ZINC000041046788 176125365 /nfs/dbraw/zinc/12/53/65/176125365.db2.gz VGRJIFKKSRIGFN-PSASIEDQSA-N 0 0 222.288 2.332 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000310334002 176126558 /nfs/dbraw/zinc/12/65/58/176126558.db2.gz ZNWIZJJYAQSEJH-VOAKCMCISA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CO)C1CCCC1 ZINC000359616892 176126648 /nfs/dbraw/zinc/12/66/48/176126648.db2.gz DOQSBBVXYULIAV-WXHSDQCUSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000300418801 176126755 /nfs/dbraw/zinc/12/67/55/176126755.db2.gz CSMXJLXEOHHACZ-MROQNXINSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000300418802 176127062 /nfs/dbraw/zinc/12/70/62/176127062.db2.gz CSMXJLXEOHHACZ-NDBYEHHHSA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000300418803 176127079 /nfs/dbraw/zinc/12/70/79/176127079.db2.gz CSMXJLXEOHHACZ-VOAKCMCISA-N 0 0 239.359 2.090 10 0 BEAERN C[C@@H]1CCC[C@](C(=O)[O-])([NH+]2CCCC2)C1 ZINC000037359591 176151584 /nfs/dbraw/zinc/15/15/84/176151584.db2.gz VSLUUOFUNHKVIF-PWSUYJOCSA-N 0 0 211.305 2.116 10 0 BEAERN C[C@@H]1CCN(C(=O)c2ccc(N)cc2N)[C@H](C)C1 ZINC000051728869 176163264 /nfs/dbraw/zinc/16/32/64/176163264.db2.gz WLPNYZWACAKBCX-NXEZZACHSA-N 0 0 247.342 2.112 10 0 BEAERN C[C@@H]1CCN(Cc2nc3sccc3c(N)n2)C1 ZINC000050814647 176177433 /nfs/dbraw/zinc/17/74/33/176177433.db2.gz MXBVYYJKBKZDCL-MRVPVSSYSA-N 0 0 248.355 2.115 10 0 BEAERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccccc1 ZINC000156211623 176192404 /nfs/dbraw/zinc/19/24/04/176192404.db2.gz MGQXAKHOAQFDDT-KOLCDFICSA-N 0 0 205.257 2.050 10 0 BEAERN C[C@@H]1CCC(C(=O)C(F)(F)F)=C(O)C1 ZINC000100196943 176194952 /nfs/dbraw/zinc/19/49/52/176194952.db2.gz ULAJSLQTYJJGEJ-PHDIDXHHSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)O1 ZINC000122304582 176195832 /nfs/dbraw/zinc/19/58/32/176195832.db2.gz CBWMPISVDMTGEH-SKDRFNHKSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@@H]1CCC(C(=O)C(F)(F)F)=C(O)C1 ZINC000100196936 176218718 /nfs/dbraw/zinc/21/87/18/176218718.db2.gz ULAJSLQTYJJGEJ-RITPCOANSA-N 0 0 208.179 2.123 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000153194819 176221389 /nfs/dbraw/zinc/22/13/89/176221389.db2.gz BWZXYFCJBNHYER-NQBHXWOUSA-N 0 0 233.311 2.431 10 0 BEAERN C[C@@H]1CN(CCCC(=O)c2ccccc2)CCO1 ZINC000037322658 176288569 /nfs/dbraw/zinc/28/85/69/176288569.db2.gz AFCHHHUNWBNCHZ-CYBMUJFWSA-N 0 0 247.338 2.370 10 0 BEAERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)N(C)C ZINC000041424166 176348023 /nfs/dbraw/zinc/34/80/23/176348023.db2.gz LPDYRJPGMIDCQW-YPMHNXCESA-N 0 0 248.326 2.130 10 0 BEAERN C[C@@H]1C[C@@H](C(=O)Nc2nc[nH]n2)CC(C)(C)C1 ZINC000183194540 176360302 /nfs/dbraw/zinc/36/03/02/176360302.db2.gz USJOTAIJPJSHLO-RKDXNWHRSA-N 0 0 236.319 2.206 10 0 BEAERN C[C@@H]1C[C@@H](C)N(Cc2ccccc2)CC1=O ZINC000068592970 176362772 /nfs/dbraw/zinc/36/27/72/176362772.db2.gz LLKQSLKJBCYCMG-VXGBXAGGSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@@H]1C[C@@H](OC2CCCC2)OCCO1 ZINC000039112763 176382993 /nfs/dbraw/zinc/38/29/93/176382993.db2.gz LAYWTQOFSMLYAQ-MWLCHTKSSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1N)C1CC1 ZINC000035081167 176384793 /nfs/dbraw/zinc/38/47/93/176384793.db2.gz JNJUESBERXVTND-MFKMUULPSA-N 0 0 244.338 2.416 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000075516656 176403475 /nfs/dbraw/zinc/40/34/75/176403475.db2.gz MZIUEMBUFSELMR-VDTYLAMSSA-N 0 0 247.125 2.470 10 0 BEAERN C[C@@H]1C[C@@H]1Nc1nnc(C(F)(F)F)s1 ZINC000154297318 176405636 /nfs/dbraw/zinc/40/56/36/176405636.db2.gz UFKGVSCMWBFTIE-DMTCNVIQSA-N 0 0 223.223 2.377 10 0 BEAERN C[C@@H]1C[C@H](OC2CCCC2)OCCO1 ZINC000219249137 176429663 /nfs/dbraw/zinc/42/96/63/176429663.db2.gz LAYWTQOFSMLYAQ-KOLCDFICSA-N 0 0 200.278 2.097 10 0 BEAERN C[C@@H]1C[C@H]1C(=O)Nc1cc(N)c(F)cc1F ZINC000036738886 176432346 /nfs/dbraw/zinc/43/23/46/176432346.db2.gz AUJXZGKCAPMRFU-PHDIDXHHSA-N 0 0 226.226 2.142 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)N1CCc2c(F)cccc2C1 ZINC000123612088 176442709 /nfs/dbraw/zinc/44/27/09/176442709.db2.gz RUMSDJSQYOBCJE-NOZJJQNGSA-N 0 0 248.301 2.302 10 0 BEAERN C[C@@H]1C[C@H]1NC(=O)N1Cc2ccccc2C1 ZINC000106270459 176443030 /nfs/dbraw/zinc/44/30/30/176443030.db2.gz HRVSSLDUQSZZPP-BXKDBHETSA-N 0 0 216.284 2.120 10 0 BEAERN C[C@@H]1C[C@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2O1 ZINC000096045721 176449355 /nfs/dbraw/zinc/44/93/55/176449355.db2.gz GTLAKUJUAATDMF-SUZMYJTESA-N 0 0 249.285 2.075 10 0 BEAERN C[C@@]1(NCC(F)(F)F)CCO[C@@H]1C1CC1 ZINC000309112613 176539157 /nfs/dbraw/zinc/53/91/57/176539157.db2.gz KEYBVQPRMMWXGN-RKDXNWHRSA-N 0 0 223.238 2.096 10 0 BEAERN C[C@H](CCc1ccco1)Nc1ncc(N)cn1 ZINC000049564480 176642373 /nfs/dbraw/zinc/64/23/73/176642373.db2.gz KYMSPXGSXDXXEQ-SECBINFHSA-N 0 0 232.287 2.085 10 0 BEAERN C[C@H](CNC(=O)N[C@H]1C[C@H]1C)Oc1ccccc1 ZINC000073057034 176674341 /nfs/dbraw/zinc/67/43/41/176674341.db2.gz TUZAXJMWSAMYKK-WZRBSPASSA-N 0 0 248.326 2.162 10 0 BEAERN C[C@H](CNc1cccc(C(F)(F)F)c1)C(N)=O ZINC000037227162 176687429 /nfs/dbraw/zinc/68/74/29/176687429.db2.gz MXLOVWBZQREFLC-SSDOTTSWSA-N 0 0 246.232 2.239 10 0 BEAERN C[C@H](COc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000032598414 176714424 /nfs/dbraw/zinc/71/44/24/176714424.db2.gz WPVGXCWOXHYYND-SNVBAGLBSA-N 0 0 235.327 2.484 10 0 BEAERN C[C@H](Cc1ccc(Cl)cc1Cl)NN ZINC000033610669 176722211 /nfs/dbraw/zinc/72/22/11/176722211.db2.gz QNVIZSYMNMPZAL-ZCFIWIBFSA-N 0 0 219.115 2.388 10 0 BEAERN C[C@H](NC(=O)c1ccoc1Cl)[C@H]1CCCO1 ZINC000192393397 176821591 /nfs/dbraw/zinc/82/15/91/176821591.db2.gz RVTGOVAYYHAVIC-IONNQARKSA-N 0 0 243.690 2.230 10 0 BEAERN C[C@H](Nc1cc(C(N)=O)ccc1F)C1CC1 ZINC000037013408 176931626 /nfs/dbraw/zinc/93/16/26/176931626.db2.gz KKPRVGOLMQYDGL-ZETCQYMHSA-N 0 0 222.263 2.135 10 0 BEAERN C[C@H](Nc1ccc(F)cc1N)[C@@H]1CCCO1 ZINC000035734660 176933022 /nfs/dbraw/zinc/93/30/22/176933022.db2.gz YGHIZJFIZZWKFF-UFBFGSQYSA-N 0 0 224.279 2.387 10 0 BEAERN C[C@H](Nc1cccc(N)c1)[C@@H]1CCCO1 ZINC000035734636 176936170 /nfs/dbraw/zinc/93/61/70/176936170.db2.gz OVKGOWPQPQREPP-CABZTGNLSA-N 0 0 206.289 2.248 10 0 BEAERN C[C@@H](Nc1ncc(Cl)cc1F)[C@H](C)O ZINC000307664656 177005809 /nfs/dbraw/zinc/00/58/09/177005809.db2.gz KTIDQYIXEURWDZ-RITPCOANSA-N 0 0 218.659 2.055 10 0 BEAERN C[C@H](O)c1ccc(Oc2ccncn2)cc1 ZINC000040542944 177017340 /nfs/dbraw/zinc/01/73/40/177017340.db2.gz LLCNASPVLMQNOD-VIFPVBQESA-N 0 0 216.240 2.322 10 0 BEAERN C[C@H](O)c1ccc(NC(=O)[C@H]2CCCOC2)cc1 ZINC000062238702 177017606 /nfs/dbraw/zinc/01/76/06/177017606.db2.gz VTLOTXUUJBPLJI-JQWIXIFHSA-N 0 0 249.310 2.105 10 0 BEAERN C[C@H](O)c1cccc(OCc2nccn2C)c1 ZINC000035627534 177017612 /nfs/dbraw/zinc/01/76/12/177017612.db2.gz UNYLCGZDEIDZGN-JTQLQIEISA-N 0 0 232.283 2.052 10 0 BEAERN C[C@H](O)c1cnc2cc(Br)ccn21 ZINC000082695005 177017729 /nfs/dbraw/zinc/01/77/29/177017729.db2.gz NFGGVLRMNPHIRN-LURJTMIESA-N 0 0 241.088 2.150 10 0 BEAERN C[C@H](O)c1ccccc1NC(=O)c1cccn1C ZINC000049549726 177018059 /nfs/dbraw/zinc/01/80/59/177018059.db2.gz YMLJTSLMGBMKSX-JTQLQIEISA-N 0 0 244.294 2.331 10 0 BEAERN C[C@H](O)c1ccccc1NCc1ncc[nH]1 ZINC000049715729 177018157 /nfs/dbraw/zinc/01/81/57/177018157.db2.gz UCBAZYXUQNVHLZ-VIFPVBQESA-N 0 0 217.272 2.075 10 0 BEAERN C[C@H](O)c1sc(N)nc1-c1ccccc1 ZINC000021951713 177019743 /nfs/dbraw/zinc/01/97/43/177019743.db2.gz TWJKUUICZCGOLD-ZETCQYMHSA-N 0 0 220.297 2.446 10 0 BEAERN C[C@H](OC[C@@H]1CCOC1)C(=O)c1ccccc1 ZINC000049690522 177021132 /nfs/dbraw/zinc/02/11/32/177021132.db2.gz UCCRVXPYBUBYRZ-NWDGAFQWSA-N 0 0 234.295 2.311 10 0 BEAERN C[C@H](OC[C@H]1CCOC1)c1ccc(N)cc1 ZINC000049688922 177022025 /nfs/dbraw/zinc/02/20/25/177022025.db2.gz ZYQPEDLYPIXLHJ-QWRGUYRKSA-N 0 0 221.300 2.383 10 0 BEAERN C[C@H]([C@@H]1CCCO1)n1c(N)nc2c1cccc2F ZINC000037421505 177030642 /nfs/dbraw/zinc/03/06/42/177030642.db2.gz VMOQBASQKFOOPV-KCJUWKMLSA-N 0 0 249.289 2.498 10 0 BEAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)[C@H]1CCCO1 ZINC000038089981 177035531 /nfs/dbraw/zinc/03/55/31/177035531.db2.gz NGDIEAUAXGLRNR-ZWNOBZJWSA-N 0 0 249.310 2.091 10 0 BEAERN C[C@H](c1ccccc1)N(C)C(=O)c1cc(N)c[nH]1 ZINC000042269633 177037945 /nfs/dbraw/zinc/03/79/45/177037945.db2.gz WBQUJWLJBWWOKN-SNVBAGLBSA-N 0 0 243.310 2.430 10 0 BEAERN C[C@H](c1nc(-c2ncon2)no1)C1CCC1 ZINC000333814396 177053321 /nfs/dbraw/zinc/05/33/21/177053321.db2.gz GHBVMEHMWJXYEM-LURJTMIESA-N 0 0 220.232 2.023 10 0 BEAERN C[C@H]1CCCCN1C(=O)c1ccc(O)cc1 ZINC000019837090 177074336 /nfs/dbraw/zinc/07/43/36/177074336.db2.gz MIWIOBXJABIOLT-JTQLQIEISA-N 0 0 219.284 2.407 10 0 BEAERN C[C@H]1CCCCN1c1nnc(C(C)(C)C)n1C ZINC000336312301 177078982 /nfs/dbraw/zinc/07/89/82/177078982.db2.gz KUKGHZZJJUQGEU-JTQLQIEISA-N 0 0 236.363 2.491 10 0 BEAERN C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(N)cn1C ZINC000042828517 177079895 /nfs/dbraw/zinc/07/98/95/177079895.db2.gz VPSNEPPDIJGVRW-WDEREUQCSA-N 0 0 249.358 2.163 10 0 BEAERN C[C@H]1CCCC[C@@H]1Nc1cc(C(N)=O)ccc1N ZINC000103963396 177083265 /nfs/dbraw/zinc/08/32/65/177083265.db2.gz HUANKVQNEUSTAW-CABZTGNLSA-N 0 0 247.342 2.358 10 0 BEAERN C[C@H]1CCCC[C@H]1Nc1ncc(N)cn1 ZINC000040455333 177089655 /nfs/dbraw/zinc/08/96/55/177089655.db2.gz JRLSWGSJIUOFCC-WCBMZHEXSA-N 0 0 206.293 2.049 10 0 BEAERN C[C@H]1CCCC[C@H]1OCc1nnsc1N ZINC000050831662 177090490 /nfs/dbraw/zinc/09/04/90/177090490.db2.gz TWWGCIQVKBATDC-IONNQARKSA-N 0 0 227.333 2.216 10 0 BEAERN C[C@H]1CCCN(C(=O)c2cc(N)ccc2F)C1 ZINC000035651245 177094360 /nfs/dbraw/zinc/09/43/60/177094360.db2.gz FQRYVELRHMPAAN-VIFPVBQESA-N 0 0 236.290 2.280 10 0 BEAERN C[C@@H]1CCC[C@H](C)N1C(=O)CCc1ccnn1C ZINC000123923856 177114709 /nfs/dbraw/zinc/11/47/09/177114709.db2.gz CQRVXKFLDUSKKY-TXEJJXNPSA-N 0 0 249.358 2.142 10 0 BEAERN C[C@H]1[C@H](NC(=O)c2ncccc2O)CCC[C@@H]1C ZINC000037760600 177122278 /nfs/dbraw/zinc/12/22/78/177122278.db2.gz CCSZDVDQIIKZNJ-HBNTYKKESA-N 0 0 248.326 2.342 10 0 BEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000336328243 177123551 /nfs/dbraw/zinc/12/35/51/177123551.db2.gz CJSVQCNKOSMTII-RYUDHWBXSA-N 0 0 239.359 2.044 10 0 BEAERN C[C@H]1CCC[C@H](NC(=O)CCc2ccnn2C)C1 ZINC000119604392 177135364 /nfs/dbraw/zinc/13/53/64/177135364.db2.gz MTNUCKHGYRRCGP-RYUDHWBXSA-N 0 0 249.358 2.048 10 0 BEAERN C[C@H]1CCC[C@H]1C(=O)N1CCOCC1(C)C ZINC000335985081 177139295 /nfs/dbraw/zinc/13/92/95/177139295.db2.gz GEFNEXUINAKKGZ-WDEREUQCSA-N 0 0 225.332 2.060 10 0 BEAERN C[C@H]1CCCn2c1nc1c(c2=O)CCCC1 ZINC000029325547 177145163 /nfs/dbraw/zinc/14/51/63/177145163.db2.gz BVFLPWVDXRKAAA-VIFPVBQESA-N 0 0 218.300 2.019 10 0 BEAERN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccnc1C(=O)[O-] ZINC000062753005 177165031 /nfs/dbraw/zinc/16/50/31/177165031.db2.gz BVQGRZSWLJSRPA-WDEREUQCSA-N 0 0 248.326 2.400 10 0 BEAERN C[C@H]1CCN(Cc2nc3sccc3c(N)n2)C1 ZINC000050814648 177168364 /nfs/dbraw/zinc/16/83/64/177168364.db2.gz MXBVYYJKBKZDCL-QMMMGPOBSA-N 0 0 248.355 2.115 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2nc3ccccc3[nH]2)O1 ZINC000124878069 177182380 /nfs/dbraw/zinc/18/23/80/177182380.db2.gz NIFKPGVIIBISER-KWQFWETISA-N 0 0 245.282 2.069 10 0 BEAERN C[C@H]1CN(CC(C)(C)O)c2ccccc21 ZINC000303975366 177245409 /nfs/dbraw/zinc/24/54/09/177245409.db2.gz BJFXCPILSVCYKC-JTQLQIEISA-N 0 0 205.301 2.381 10 0 BEAERN C[C@H]1CN(CCCC(=O)c2ccccc2)CCO1 ZINC000037322660 177247752 /nfs/dbraw/zinc/24/77/52/177247752.db2.gz AFCHHHUNWBNCHZ-ZDUSSCGKSA-N 0 0 247.338 2.370 10 0 BEAERN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CC1=O ZINC000068592646 177266078 /nfs/dbraw/zinc/26/60/78/177266078.db2.gz GALZSXMMVXOBQW-RYUDHWBXSA-N 0 0 217.312 2.486 10 0 BEAERN C[C@H]1CN(c2cccc(F)c2N)CCCO1 ZINC000061916817 177277531 /nfs/dbraw/zinc/27/75/31/177277531.db2.gz GLOYCSRRFRAVJR-VIFPVBQESA-N 0 0 224.279 2.023 10 0 BEAERN C[C@H]1CNC(=O)c2[nH]c3ccccc3c21 ZINC000028901767 177281508 /nfs/dbraw/zinc/28/15/08/177281508.db2.gz OZGIWBLZFNJEGM-ZETCQYMHSA-N 0 0 200.241 2.015 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)COc1ccccc1Cl ZINC000075528914 177346391 /nfs/dbraw/zinc/34/63/91/177346391.db2.gz RIAFQAMFCWCXJL-WPRPVWTQSA-N 0 0 239.702 2.243 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000171047967 177346472 /nfs/dbraw/zinc/34/64/72/177346472.db2.gz KJNPMFDEDNXWDN-UFBFGSQYSA-N 0 0 246.285 2.374 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)NCC1(C)CCCC1 ZINC000108885568 177347418 /nfs/dbraw/zinc/34/74/18/177347418.db2.gz CIAJJFAUEJKCJM-UWVGGRQHSA-N 0 0 210.321 2.274 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)c(F)cc1F ZINC000129425259 177348098 /nfs/dbraw/zinc/34/80/98/177348098.db2.gz LFKACPLKFPEHDH-RRAGMBSWSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000075514259 177349063 /nfs/dbraw/zinc/34/90/63/177349063.db2.gz CZEVZRODYKRDGZ-KWQFWETISA-N 0 0 214.268 2.306 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000171064516 177349206 /nfs/dbraw/zinc/34/92/06/177349206.db2.gz BKPQFXFPLSOUFE-WKEGUHRASA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1F ZINC000054215580 177349246 /nfs/dbraw/zinc/34/92/46/177349246.db2.gz QZTMJFHGOLUSLI-RCOVLWMOSA-N 0 0 211.211 2.103 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1cn(C)c2ccccc12 ZINC000075526299 177349252 /nfs/dbraw/zinc/34/92/52/177349252.db2.gz APZSAHVMDYXYIA-CABZTGNLSA-N 0 0 228.295 2.317 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2c(c1)CCCN2 ZINC000052289764 177349416 /nfs/dbraw/zinc/34/94/16/177349416.db2.gz VBATYTCYUPLMDR-ZANVPECISA-N 0 0 230.311 2.183 10 0 BEAERN C[C@H]1C[C@H](C(=O)Nc2nc[nH]n2)CC(C)(C)C1 ZINC000183194523 177354947 /nfs/dbraw/zinc/35/49/47/177354947.db2.gz USJOTAIJPJSHLO-IUCAKERBSA-N 0 0 236.319 2.206 10 0 BEAERN C[C@@H]1C[C@@H](CNc2cnccn2)C[C@H](C)O1 ZINC000281783663 177363063 /nfs/dbraw/zinc/36/30/63/177363063.db2.gz HCRQCBVJCNUCKC-JGPRNRPPSA-N 0 0 221.304 2.092 10 0 BEAERN C[C@H]1C[C@H]1C(=O)Nc1cc(N)c(F)cc1F ZINC000036738887 177377161 /nfs/dbraw/zinc/37/71/61/177377161.db2.gz AUJXZGKCAPMRFU-NTSWFWBYSA-N 0 0 226.226 2.142 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCC(=O)c1ccccc1 ZINC000075526918 177382469 /nfs/dbraw/zinc/38/24/69/177382469.db2.gz GTBXHOQZMZDMJI-CMPLNLGQSA-N 0 0 231.295 2.174 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCc1cccc(N(C)C)c1 ZINC000188885747 177382574 /nfs/dbraw/zinc/38/25/74/177382574.db2.gz CUAMGLJZMLZDQS-SMDDNHRTSA-N 0 0 246.354 2.210 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCOCc1ccccc1 ZINC000075508252 177382607 /nfs/dbraw/zinc/38/26/07/177382607.db2.gz NBXPCDIMVDHGLI-WCQYABFASA-N 0 0 233.311 2.118 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCOc1ccccc1F ZINC000075521914 177382648 /nfs/dbraw/zinc/38/26/48/177382648.db2.gz FWRLJFQIJXHLTG-GXSJLCMTSA-N 0 0 237.274 2.119 10 0 BEAERN C[C@H]1C[C@H]1CNc1ncncc1Br ZINC000133018939 177382683 /nfs/dbraw/zinc/38/26/83/177382683.db2.gz DLESEBLUOCDECE-BQBZGAKWSA-N 0 0 242.120 2.307 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)CCSc1ccccn1 ZINC000151218502 177382741 /nfs/dbraw/zinc/38/27/41/177382741.db2.gz ZRYBLVGUNBFESO-VHSXEESVSA-N 0 0 236.340 2.088 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)NCC1(C)CCCC1 ZINC000108885572 177383104 /nfs/dbraw/zinc/38/31/04/177383104.db2.gz CIAJJFAUEJKCJM-VHSXEESVSA-N 0 0 210.321 2.274 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000075529593 177383602 /nfs/dbraw/zinc/38/36/02/177383602.db2.gz LFLQSTKNAUIYTO-IINYFYTJSA-N 0 0 229.323 2.242 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1ccccc1Cl ZINC000075526956 177383664 /nfs/dbraw/zinc/38/36/64/177383664.db2.gz OORWKJZMOOCKNU-GZMMTYOYSA-N 0 0 223.703 2.407 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000151220771 177383702 /nfs/dbraw/zinc/38/37/02/177383702.db2.gz ZEFNWVPVJWZHCV-WRWORJQWSA-N 0 0 225.238 2.032 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000163440677 177384095 /nfs/dbraw/zinc/38/40/95/177384095.db2.gz MYIITZGWCSHSPD-SSDLBLMSSA-N 0 0 229.201 2.242 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000075516667 177384634 /nfs/dbraw/zinc/38/46/34/177384634.db2.gz MZIUEMBUFSELMR-CAHLUQPWSA-N 0 0 247.125 2.470 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)c(N)c1 ZINC000052268206 177385062 /nfs/dbraw/zinc/38/50/62/177385062.db2.gz NPFNKENFJQUSAQ-QUBYGPBYSA-N 0 0 224.691 2.060 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1ccncc1C(F)(F)F ZINC000192206880 177385288 /nfs/dbraw/zinc/38/52/88/177385288.db2.gz XDHAJUJPHZKLMT-IMTBSYHQSA-N 0 0 244.216 2.239 10 0 BEAERN C[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000190223107 177397773 /nfs/dbraw/zinc/39/77/73/177397773.db2.gz RYBPFJQQMQTOPG-YPMHNXCESA-N 0 0 233.311 2.118 10 0 BEAERN C[C@H]1OCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000134268675 177401317 /nfs/dbraw/zinc/40/13/17/177401317.db2.gz UNYHHRDKHQIESE-SKDRFNHKSA-N 0 0 244.294 2.075 10 0 BEAERN C[C@@H]1OCc2cc3c(cc2O1)CO[C@H](C)O3 ZINC000196164831 177410044 /nfs/dbraw/zinc/41/00/44/177410044.db2.gz WZTOSZUYUYAGHA-OCAPTIKFSA-N 0 0 222.240 2.197 10 0 BEAERN C[C@](CCc1ccccc1)([NH2+]CC1CC1)C(=O)[O-] ZINC000037967311 177441332 /nfs/dbraw/zinc/44/13/32/177441332.db2.gz LWNSIRWKPKEHKG-OAHLLOKOSA-N 0 0 247.338 2.462 10 0 BEAERN C[C@]([NH3+])(C(=O)[O-])c1cccc2ccccc21 ZINC000019474606 177443345 /nfs/dbraw/zinc/44/33/45/177443345.db2.gz OCLLVJCYGMCLJG-CYBMUJFWSA-N 0 0 215.252 2.098 10 0 BEAERN C[C@]12C[C@@H]3C[C@]([NH2+]CC(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000103579136 177485551 /nfs/dbraw/zinc/48/55/51/177485551.db2.gz VENQYZMKCWDVAQ-OPAWKCGKSA-N 0 0 237.343 2.410 10 0 in-vitro BEAERN Cc1c(Cl)nc(N(C)C)nc1Cl ZINC000082164730 177605114 /nfs/dbraw/zinc/60/51/14/177605114.db2.gz JYFSQUKOJVZDJE-UHFFFAOYSA-N 0 0 206.076 2.158 10 0 BEAERN Cc1c(N)cccc1NC[C@H]1CCCO1 ZINC000062724258 177614171 /nfs/dbraw/zinc/61/41/71/177614171.db2.gz QMUTVDWBNCELPT-SNVBAGLBSA-N 0 0 206.289 2.168 10 0 BEAERN O=C(OCC(F)(F)F)N1C[C@@H]2CCC[C@@H]21 ZINC000495603799 226283485 /nfs/dbraw/zinc/28/34/85/226283485.db2.gz QWVAMTPCFWICRH-BQBZGAKWSA-N 0 0 223.194 2.170 10 0 BEAERN CO[C@H]1C[C@H](NC(=O)OC(C)C)C12CCC2 ZINC000496680719 226311439 /nfs/dbraw/zinc/31/14/39/226311439.db2.gz WRJUFSREJYGTKR-UWVGGRQHSA-N 0 0 227.304 2.079 10 0 BEAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401643255 226360519 /nfs/dbraw/zinc/36/05/19/226360519.db2.gz GMJOXTAAFYFJGC-BZPMIXESSA-N 0 0 247.338 2.019 10 0 BEAERN C[C@H]1C[C@@H]1C(=O)NCCc1ccsc1 ZINC000046243378 487668399 /nfs/dbraw/zinc/66/83/99/487668399.db2.gz KVPXOWCVTHPPHF-WPRPVWTQSA-N 0 0 209.314 2.063 10 0 BEAERN C[C@H](NC(=O)C1C(C)(C)C1(C)C)[C@H]1CCCO1 ZINC000173935554 229369715 /nfs/dbraw/zinc/36/97/15/229369715.db2.gz DTXGDEVKXZDROX-VHSXEESVSA-N 0 0 239.359 2.352 10 0 BEAERN CCOC(=O)Cc1cc(F)cc(C(C)=O)c1 ZINC000575442085 487683758 /nfs/dbraw/zinc/68/37/58/487683758.db2.gz NUVCDTBUFYVFRV-UHFFFAOYSA-N 0 0 224.231 2.134 10 0 BEAERN CCCC[C@H](C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000669695761 487687414 /nfs/dbraw/zinc/68/74/14/487687414.db2.gz BHFFLBAXVKNMPL-SDDRHHMPSA-N 0 0 227.348 2.232 10 0 BEAERN CC[C@@H](C)[C@@H](N)c1nc(C2CCOCC2)no1 ZINC000087810278 487689277 /nfs/dbraw/zinc/68/92/77/487689277.db2.gz XBGYISSPWCPHGC-PSASIEDQSA-N 0 0 239.319 2.010 10 0 BEAERN C[C@H]1CC[C@@H](O)CN1C(=O)C1CCCCCC1 ZINC000399223736 262780011 /nfs/dbraw/zinc/78/00/11/262780011.db2.gz WXWMIMWWSSSDFL-WCQYABFASA-N 0 0 239.359 2.329 10 0 BEAERN Cc1cccc(-n2[n-]c3c(c2=O)CCC3)c1 ZINC000104707281 487713054 /nfs/dbraw/zinc/71/30/54/487713054.db2.gz UTNUGKKEQCEOOG-NSHDSACASA-N 0 0 214.268 2.498 10 0 BEAERN O=C([O-])C[N@H+](C/C=C/c1ccccc1)CC1CC1 ZINC000036885955 487717638 /nfs/dbraw/zinc/71/76/38/487717638.db2.gz JBOUDFHEHQTFRM-QPJJXVBHSA-N 0 0 245.322 2.496 10 0 BEAERN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000250451916 487732585 /nfs/dbraw/zinc/73/25/85/487732585.db2.gz VTEOVODGVYURAK-JGPRNRPPSA-N 0 0 207.317 2.434 10 0 BEAERN CC1(C)CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250804970 487741094 /nfs/dbraw/zinc/74/10/94/487741094.db2.gz QLRPEDJEHZMOIJ-JGPRNRPPSA-N 0 0 207.317 2.291 10 0 BEAERN CC(C)[C@H](C)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419296 487741919 /nfs/dbraw/zinc/74/19/19/487741919.db2.gz FNULAZXOGDXQNQ-QWRGUYRKSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)c1sc2ncccc2c1N ZINC000088643058 487742636 /nfs/dbraw/zinc/74/26/36/487742636.db2.gz AMCQBNFSFMLSFC-POYBYMJQSA-N 0 0 247.323 2.017 10 0 BEAERN Cc1ccc(NCc2cccc(C)n2)nn1 ZINC000051576909 487747969 /nfs/dbraw/zinc/74/79/69/487747969.db2.gz CUCXOWIHWBUGBD-UHFFFAOYSA-N 0 0 214.272 2.101 10 0 BEAERN Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000675552938 487747733 /nfs/dbraw/zinc/74/77/33/487747733.db2.gz MYUHVLIAGZTLBF-CHWSQXEVSA-N 0 0 247.338 2.337 10 0 BEAERN Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000675552942 487748147 /nfs/dbraw/zinc/74/81/47/487748147.db2.gz MYUHVLIAGZTLBF-OLZOCXBDSA-N 0 0 247.338 2.337 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000681241945 487757882 /nfs/dbraw/zinc/75/78/82/487757882.db2.gz WILVELHCOAXCRQ-GRYCIOLGSA-N 0 0 241.375 2.478 10 0 BEAERN C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000681241946 487757754 /nfs/dbraw/zinc/75/77/54/487757754.db2.gz WILVELHCOAXCRQ-IJLUTSLNSA-N 0 0 241.375 2.478 10 0 BEAERN CON(C)C(=O)CSCc1ccc(C)cc1 ZINC000070153340 487791788 /nfs/dbraw/zinc/79/17/88/487791788.db2.gz HMRJLASRVBIZAG-UHFFFAOYSA-N 0 0 239.340 2.248 10 0 BEAERN CCc1cc(NCCC2=CCOCC2)nc(C)n1 ZINC000302071087 487820495 /nfs/dbraw/zinc/82/04/95/487820495.db2.gz FHCLRTTYMXGMAS-UHFFFAOYSA-N 0 0 247.342 2.496 10 0 BEAERN CC(C)(Br)COC(=O)c1ccon1 ZINC000757212532 586437129 /nfs/dbraw/zinc/43/71/29/586437129.db2.gz PXFGJZSYXBNNIG-UHFFFAOYSA-N 0 0 248.076 2.005 10 0 BEAERN O=C(NC1CCSCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252981511 487841634 /nfs/dbraw/zinc/84/16/34/487841634.db2.gz RLUCYJQTWZYFOV-ILWJIGKKSA-N 0 0 225.357 2.044 10 0 BEAERN CCCC[C@H](C)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000401886322 528883000 /nfs/dbraw/zinc/88/30/00/528883000.db2.gz FJKDTLBUXWJJNY-WOPDTQHZSA-N 0 0 227.348 2.042 10 0 BEAERN CSc1ccnc(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000386440298 487844831 /nfs/dbraw/zinc/84/48/31/487844831.db2.gz KDDIAAAXJKVGSJ-DTWKUNHWSA-N 0 0 239.344 2.178 10 0 BEAERN C[C@H](c1ccccc1)n1cc(C(C)(C)[NH3+])nn1 ZINC000078627575 487865640 /nfs/dbraw/zinc/86/56/40/487865640.db2.gz IDWCIIJUNHQABS-SNVBAGLBSA-N 0 0 230.315 2.081 10 0 BEAERN CC(C)[C@@H](C)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000083412761 487908306 /nfs/dbraw/zinc/90/83/06/487908306.db2.gz FSBMBORUYFEDLA-ZYHUDNBSSA-N 0 0 213.321 2.218 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)CC2CCCC2)O1 ZINC000151079256 323007823 /nfs/dbraw/zinc/00/78/23/323007823.db2.gz RZXXQTAGGKIFRC-PWSUYJOCSA-N 0 0 225.332 2.203 10 0 BEAERN CCCC(C)(C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000151179759 323012551 /nfs/dbraw/zinc/01/25/51/323012551.db2.gz POVRNCYEOCJEMP-VHSXEESVSA-N 0 0 213.321 2.249 10 0 BEAERN CCc1noc(C)c1NC(=O)c1cscn1 ZINC000132680603 323015995 /nfs/dbraw/zinc/01/59/95/323015995.db2.gz CTCKZCXHOBOMSD-UHFFFAOYSA-N 0 0 237.284 2.254 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)N(C)c2ccccc2F)O1 ZINC000151585410 323019444 /nfs/dbraw/zinc/01/94/44/323019444.db2.gz QLTNRRQIZMINED-SKDRFNHKSA-N 0 0 237.274 2.356 10 0 BEAERN CCCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111438918 323159698 /nfs/dbraw/zinc/15/96/98/323159698.db2.gz JAINEBMIPBJTLL-STQMWFEESA-N 0 0 232.327 2.499 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)Nc1ccn(C)n1 ZINC000112002113 323164745 /nfs/dbraw/zinc/16/47/45/323164745.db2.gz KDCGUZXGKIBSOY-LLVKDONJSA-N 0 0 243.310 2.237 10 0 BEAERN CC[C@@H]1CN(C(=O)OC(C)C)C[C@H](CC)O1 ZINC000398765245 323192246 /nfs/dbraw/zinc/19/22/46/323192246.db2.gz GIUQENUZUAKZDE-PHIMTYICSA-N 0 0 229.320 2.421 10 0 BEAERN Cc1cc(N)cc(CNc2nc(C)cc(C)n2)c1 ZINC000398872739 323194022 /nfs/dbraw/zinc/19/40/22/323194022.db2.gz QFENVGHLONNBJU-UHFFFAOYSA-N 0 0 242.326 2.018 10 0 BEAERN COc1cccc([C@]2(O)CCS[C@H]2C)c1 ZINC000211606363 323195180 /nfs/dbraw/zinc/19/51/80/323195180.db2.gz BKAFOOFQRWELNT-CABZTGNLSA-N 0 0 224.325 2.408 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399242336 323201200 /nfs/dbraw/zinc/20/12/00/323201200.db2.gz IXNMNOMCLYWQIA-YNEHKIRRSA-N 0 0 241.375 2.431 10 0 BEAERN CC(C)[C@H]([NH3+])C[C@H](CC(=O)[O-])C(F)(F)F ZINC000521402153 323201289 /nfs/dbraw/zinc/20/12/89/323201289.db2.gz ZWVLYJIEVFUSJK-RNFRBKRXSA-N 0 0 227.226 2.013 10 0 BEAERN CCC1(C(=O)NC[C@@H](O)C(C)(C)C)CCCC1 ZINC000324534111 323239826 /nfs/dbraw/zinc/23/98/26/323239826.db2.gz QADUQPDNJKPQKR-LLVKDONJSA-N 0 0 241.375 2.480 10 0 BEAERN CN(Cc1ccccc1)C(=O)Nc1nncs1 ZINC000043130610 323258625 /nfs/dbraw/zinc/25/86/25/323258625.db2.gz SENGWRXRYKXYRG-UHFFFAOYSA-N 0 0 248.311 2.202 10 0 BEAERN CCc1cc(C(=O)Nc2cn[nH]c2)oc1CC ZINC000134914477 323291474 /nfs/dbraw/zinc/29/14/74/323291474.db2.gz IUQHLICLIKSIDU-UHFFFAOYSA-N 0 0 233.271 2.380 10 0 BEAERN COC(=O)C1(c2nccs2)CCCC1 ZINC000260635541 323947311 /nfs/dbraw/zinc/94/73/11/323947311.db2.gz ZCIDMZPNJDUZCH-UHFFFAOYSA-N 0 0 211.286 2.128 10 0 BEAERN Cc1nc(-c2ccccc2C)oc1CO ZINC000401163051 323949409 /nfs/dbraw/zinc/94/94/09/323949409.db2.gz UDKKJGSGJQZKLK-UHFFFAOYSA-N 0 0 203.241 2.451 10 0 BEAERN CN(C)c1ccc([C@H]2CNC(=O)C23CCC3)cc1 ZINC000536950297 323953806 /nfs/dbraw/zinc/95/38/06/323953806.db2.gz FWPCMWSSXJJIGN-CYBMUJFWSA-N 0 0 244.338 2.136 10 0 BEAERN OC[C@H]1CCC2(CCC(F)(F)CC2)O1 ZINC000536950932 323955229 /nfs/dbraw/zinc/95/52/29/323955229.db2.gz WSPDWXHDOCXVML-MRVPVSSYSA-N 0 0 206.232 2.106 10 0 BEAERN CS(C)(=O)=Nc1cc(C(F)(F)F)ccn1 ZINC000536951223 323955736 /nfs/dbraw/zinc/95/57/36/323955736.db2.gz OCJWQXBZDLXMRS-UHFFFAOYSA-N 0 0 238.234 2.460 10 0 BEAERN C[C@@H](CCCO)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000122465667 324045985 /nfs/dbraw/zinc/04/59/85/324045985.db2.gz QEEABQMDWTWWGE-YUTCNCBUSA-N 0 0 247.338 2.067 10 0 BEAERN Cc1cc(S(=O)(=O)NC(C)(C)C)c(C)s1 ZINC000032548578 324215944 /nfs/dbraw/zinc/21/59/44/324215944.db2.gz KGPRXZZOCGSMGR-UHFFFAOYSA-N 0 0 247.385 2.442 10 0 BEAERN CSCCCCNC(=O)c1ccoc1C ZINC000125869194 324659473 /nfs/dbraw/zinc/65/94/73/324659473.db2.gz XSBQFWALRXEUQS-UHFFFAOYSA-N 0 0 227.329 2.461 10 0 BEAERN CC[C@@H](C)C(=O)NCCCCSC ZINC000125949572 324667348 /nfs/dbraw/zinc/66/73/48/324667348.db2.gz YBNSXISKUAHZTF-SECBINFHSA-N 0 0 203.351 2.292 10 0 BEAERN CCC[C@@H](C)CC(=O)N1CCN(C2CC2)CC1 ZINC000127059195 324742407 /nfs/dbraw/zinc/74/24/07/324742407.db2.gz DFCCBWDUTHYSJO-GFCCVEGCSA-N 0 0 238.375 2.119 10 0 BEAERN C[C@H]1CC[C@H](C(=O)NCc2cccc(F)c2)O1 ZINC000128811921 324886241 /nfs/dbraw/zinc/88/62/41/324886241.db2.gz XKIONHXZVUSLSH-JOYOIKCWSA-N 0 0 237.274 2.009 10 0 BEAERN C[C@@H](C(=O)Nc1ccccc1O)C1CCOCC1 ZINC000129269078 324932999 /nfs/dbraw/zinc/93/29/99/324932999.db2.gz JQRDQFLSIALPRH-SNVBAGLBSA-N 0 0 249.310 2.393 10 0 BEAERN CC1CC(C(=O)N2CCC(CCCO)CC2)C1 ZINC000542093777 325008599 /nfs/dbraw/zinc/00/85/99/325008599.db2.gz LCEXMFSGMIEISJ-UHFFFAOYSA-N 0 0 239.359 2.044 10 0 BEAERN CCCc1cc(NC(=O)[C@@H]2CC2(C)C)n[nH]1 ZINC000130075039 325010218 /nfs/dbraw/zinc/01/02/18/325010218.db2.gz RWLHFACGCXOWMU-VIFPVBQESA-N 0 0 221.304 2.347 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)NCc1cccnc1 ZINC000130170382 325020698 /nfs/dbraw/zinc/02/06/98/325020698.db2.gz YZSMNBHGLVDISO-UHFFFAOYSA-N 0 0 248.326 2.093 10 0 BEAERN CC(=O)CCC(C)(C)C(=O)Nc1cccnc1 ZINC000130175355 325020985 /nfs/dbraw/zinc/02/09/85/325020985.db2.gz ODMFBQUNAAKPCY-UHFFFAOYSA-N 0 0 234.299 2.416 10 0 BEAERN Cc1cccc(CNC(=O)[C@H]2CC=CCC2)n1 ZINC000130297010 325035987 /nfs/dbraw/zinc/03/59/87/325035987.db2.gz ROQWFQNCAPABSX-LBPRGKRZSA-N 0 0 230.311 2.363 10 0 BEAERN CC[C@@H](NC(=O)c1cccn1C)c1nccs1 ZINC000130740704 325083323 /nfs/dbraw/zinc/08/33/23/325083323.db2.gz FHLIKPFAQQRHFW-SECBINFHSA-N 0 0 249.339 2.363 10 0 BEAERN COCCCCSC1CCOCC1 ZINC000130848961 325093540 /nfs/dbraw/zinc/09/35/40/325093540.db2.gz FBLWZXHPTZIDTA-UHFFFAOYSA-N 0 0 204.335 2.325 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)NCCC2=CCCC2)O1 ZINC000131121682 325119364 /nfs/dbraw/zinc/11/93/64/325119364.db2.gz GAYBWUZUIYDUAX-JQWIXIFHSA-N 0 0 223.316 2.171 10 0 BEAERN CCN(CC)C(=O)[C@H](C)SC1CCOCC1 ZINC000131146046 325121753 /nfs/dbraw/zinc/12/17/53/325121753.db2.gz KYFQDAXJVPWLCH-JTQLQIEISA-N 0 0 245.388 2.156 10 0 BEAERN O=C(NCCC1=CCCC1)c1cccnc1 ZINC000131322208 325137236 /nfs/dbraw/zinc/13/72/36/325137236.db2.gz WIRSEVUKFQUVRJ-UHFFFAOYSA-N 0 0 216.284 2.312 10 0 BEAERN CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCOC1 ZINC000131419050 325148471 /nfs/dbraw/zinc/14/84/71/325148471.db2.gz KVAABQOJOLZJDO-SNVBAGLBSA-N 0 0 247.285 2.059 10 0 BEAERN COC[C@H](C)CNc1ccc(NC(C)=O)cc1 ZINC000131668334 325176629 /nfs/dbraw/zinc/17/66/29/325176629.db2.gz KBSGMEMJYSJVST-SNVBAGLBSA-N 0 0 236.315 2.339 10 0 BEAERN COC[C@@H](C)CNc1cc(OC)cc(OC)c1 ZINC000131679474 325177161 /nfs/dbraw/zinc/17/71/61/325177161.db2.gz DIMXFBALJJAOII-JTQLQIEISA-N 0 0 239.315 2.398 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000133210573 325277672 /nfs/dbraw/zinc/27/76/72/325277672.db2.gz AIVZEZDVCFSZRR-XVKPBYJWSA-N 0 0 238.287 2.051 10 0 BEAERN CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H](C)OC ZINC000133355237 325289642 /nfs/dbraw/zinc/28/96/42/325289642.db2.gz DPBRKSIIKUCKFY-GHMZBOCLSA-N 0 0 227.348 2.449 10 0 BEAERN CC1CC(C(=O)NC2(CCO)CCCCC2)C1 ZINC000546658977 325300033 /nfs/dbraw/zinc/30/00/33/325300033.db2.gz BHUIHBLMIGICIL-UHFFFAOYSA-N 0 0 239.359 2.234 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cn2)O1 ZINC000134090439 325342539 /nfs/dbraw/zinc/34/25/39/325342539.db2.gz GKJGFCKXTMKFCL-CBAPKCEASA-N 0 0 240.690 2.241 10 0 BEAERN CCc1cc(C)c(C(=O)NCCCCOC)o1 ZINC000135003394 325387885 /nfs/dbraw/zinc/38/78/85/325387885.db2.gz ZHVCSSAWNRLVNX-UHFFFAOYSA-N 0 0 239.315 2.307 10 0 BEAERN CCc1cc(C(=O)Nc2nc(C)no2)oc1CC ZINC000135043961 325390286 /nfs/dbraw/zinc/39/02/86/325390286.db2.gz DHKDIKMZTBQPNT-UHFFFAOYSA-N 0 0 249.270 2.348 10 0 BEAERN CCOC[C@H](C)NC(=O)c1ccc(F)cc1C ZINC000135343419 325408943 /nfs/dbraw/zinc/40/89/43/325408943.db2.gz CPERVLJGQAETOK-JTQLQIEISA-N 0 0 239.290 2.289 10 0 BEAERN Fc1cnc(N[C@@H]2COc3ccccc32)nc1 ZINC000135393582 325410563 /nfs/dbraw/zinc/41/05/63/325410563.db2.gz MWGNRIZDKRHPOG-SNVBAGLBSA-N 0 0 231.230 2.161 10 0 BEAERN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@H]2CCCCO2)n[nH]1 ZINC000246143000 325546507 /nfs/dbraw/zinc/54/65/07/325546507.db2.gz CPZYSUDTACTHLA-FXPVBKGRSA-N 0 0 249.314 2.041 10 0 BEAERN CC(C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000246489006 325567522 /nfs/dbraw/zinc/56/75/22/325567522.db2.gz AOPWPIKDEXNJLC-QJPTWQEYSA-N 0 0 242.363 2.288 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000247375342 325590419 /nfs/dbraw/zinc/59/04/19/325590419.db2.gz DVMXVXABJAAQHO-DBIOUOCHSA-N 0 0 210.321 2.225 10 0 BEAERN CCC1(CNC(=O)[C@@H](C)COC)CCCC1 ZINC000154915690 326172630 /nfs/dbraw/zinc/17/26/30/326172630.db2.gz WPBJUMBVEUPIQF-NSHDSACASA-N 0 0 227.348 2.356 10 0 BEAERN CCC[C@@H]1CCCN(C(=O)[C@@H](C)COC)C1 ZINC000155414721 326195552 /nfs/dbraw/zinc/19/55/52/326195552.db2.gz KUKNTONYWYXJCN-NWDGAFQWSA-N 0 0 227.348 2.308 10 0 BEAERN Cc1cc(O)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000156531016 326234586 /nfs/dbraw/zinc/23/45/86/326234586.db2.gz QAIWMTKPUSUHTG-SKDRFNHKSA-N 0 0 235.283 2.207 10 0 BEAERN C[C@@H]1OCC[C@H]1Nc1nc2ccccc2o1 ZINC000134571503 487985529 /nfs/dbraw/zinc/98/55/29/487985529.db2.gz WAYSCHFRMYMKPB-DTWKUNHWSA-N 0 0 218.256 2.417 10 0 BEAERN CC(C)[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000112858830 488018990 /nfs/dbraw/zinc/01/89/90/488018990.db2.gz RZYJGZLDIZECSD-OCCSQVGLSA-N 0 0 248.370 2.450 10 0 BEAERN Nc1cccc(CNC(=O)NC2CCCCC2)c1 ZINC000052925898 488023552 /nfs/dbraw/zinc/02/35/52/488023552.db2.gz RSGFTANLGVTRRA-UHFFFAOYSA-N 0 0 247.342 2.401 10 0 BEAERN C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCC1=O ZINC000044677386 488046338 /nfs/dbraw/zinc/04/63/38/488046338.db2.gz NUQKFGFHNWXGHD-IACUBPJLSA-N 0 0 229.323 2.453 10 0 BEAERN O=C([O-])C[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000257791592 488089126 /nfs/dbraw/zinc/08/91/26/488089126.db2.gz RKUXQSBOLFLJID-NSHDSACASA-N 0 0 225.332 2.363 10 0 BEAERN CC[N@@H+]1CC[C@@H](Nc2cc(C(C)(C)C)ncn2)C1 ZINC000389331672 488089511 /nfs/dbraw/zinc/08/95/11/488089511.db2.gz HUNIJMAAGCKHER-LLVKDONJSA-N 0 0 248.374 2.280 10 0 BEAERN CCC[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)[O-] ZINC000403831474 488139158 /nfs/dbraw/zinc/13/91/58/488139158.db2.gz PRLRXSYCVQBBTD-WYUUTHIRSA-N 0 0 225.332 2.266 10 0 BEAERN O=C(N[C@H]1CCC[C@@H](O)C1)C1CCCCCC1 ZINC000673907695 487476019 /nfs/dbraw/zinc/47/60/19/487476019.db2.gz MMSMJSOAHUXPGA-QWHCGFSZSA-N 0 0 239.359 2.377 10 0 BEAERN CC(C)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405384424 487482995 /nfs/dbraw/zinc/48/29/95/487482995.db2.gz FNFXYALHDNPERD-WDEREUQCSA-N 0 0 225.332 2.218 10 0 BEAERN Cc1cscc1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000674083141 487513413 /nfs/dbraw/zinc/51/34/13/487513413.db2.gz RIJUAGIVPJLKGU-VHSXEESVSA-N 0 0 239.340 2.090 10 0 BEAERN CC(C)n1nccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300452152 487516962 /nfs/dbraw/zinc/51/69/62/487516962.db2.gz YWDRLJFMCSBJPS-JGPRNRPPSA-N 0 0 233.315 2.449 10 0 BEAERN O=C(Nc1cccc(O)c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250048033 487726650 /nfs/dbraw/zinc/72/66/50/487726650.db2.gz DZXNKXLRRNWTSM-ILWJIGKKSA-N 0 0 217.268 2.377 10 0 BEAERN O=C(Nc1nccs1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250179564 487728520 /nfs/dbraw/zinc/72/85/20/487728520.db2.gz PVFHRNSAFSYYEG-RNLVFQAGSA-N 0 0 208.286 2.128 10 0 BEAERN CCn1c(CNCC(F)F)nc2ccccc21 ZINC000136567772 488107784 /nfs/dbraw/zinc/10/77/84/488107784.db2.gz OPKWQQCWKIEXLE-UHFFFAOYSA-N 0 0 239.269 2.411 10 0 BEAERN Cc1cc(N)cc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000398712912 488161403 /nfs/dbraw/zinc/16/14/03/488161403.db2.gz VXNZMRXMEFUJDN-CLLJXQQHSA-N 0 0 244.338 2.240 10 0 BEAERN CNC(=O)Cc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000321964408 488162952 /nfs/dbraw/zinc/16/29/52/488162952.db2.gz ZCSXICSNLFLEOI-JTNHKYCSSA-N 0 0 246.354 2.432 10 0 BEAERN Cc1cnc([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)o1 ZINC000667949527 488165603 /nfs/dbraw/zinc/16/56/03/488165603.db2.gz IIPYRGPTYSADLI-DLOVCJGASA-N 0 0 236.315 2.201 10 0 BEAERN OCc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000668033250 488191897 /nfs/dbraw/zinc/19/18/97/488191897.db2.gz WUSRAMCTRQXKCP-UONOGXRCSA-N 0 0 233.311 2.158 10 0 BEAERN CCC[C@H](C)NC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000672665636 488263353 /nfs/dbraw/zinc/26/33/53/488263353.db2.gz AIWGAAFLZDGZRT-QJPTWQEYSA-N 0 0 242.363 2.168 10 0 BEAERN Cc1cnc([C@H](C)Nc2ncnc3[nH]ccc32)o1 ZINC000679282218 488329040 /nfs/dbraw/zinc/32/90/40/488329040.db2.gz LSJNCFZWYVPMFS-QMMMGPOBSA-N 0 0 243.270 2.427 10 0 BEAERN CCc1cc(N[C@H]2CCC[C@H](O)C2)nc(C)n1 ZINC000679836933 488367684 /nfs/dbraw/zinc/36/76/84/488367684.db2.gz BHNNVCBUYSYAGT-RYUDHWBXSA-N 0 0 235.331 2.063 10 0 BEAERN CC(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000214705770 490050854 /nfs/dbraw/zinc/05/08/54/490050854.db2.gz JOSFJALFHUWUAY-SNVBAGLBSA-N 0 0 241.331 2.469 10 0 BEAERN Cc1cccc(CC(=O)NC[C@H](O)C(C)(C)C)c1 ZINC000120329801 490060352 /nfs/dbraw/zinc/06/03/52/490060352.db2.gz FYKSHOKROZOVKV-ZDUSSCGKSA-N 0 0 249.354 2.061 10 0 BEAERN C[C@H](CO)CN1CCCCc2ccccc21 ZINC000121457325 490092565 /nfs/dbraw/zinc/09/25/65/490092565.db2.gz NAYLFBKEVONMSB-LBPRGKRZSA-N 0 0 219.328 2.458 10 0 BEAERN O=c1cccc([C@H](O)c2ccc(F)cc2)[nH]1 ZINC000584639565 490181573 /nfs/dbraw/zinc/18/15/73/490181573.db2.gz HHRGFLXIHVVFJT-GFCCVEGCSA-N 0 0 219.215 2.008 10 0 BEAERN OCc1cc(-c2ccccc2)nn1CC1CC1 ZINC000409443966 490247750 /nfs/dbraw/zinc/24/77/50/490247750.db2.gz XNSWVMWGFZIRKS-UHFFFAOYSA-N 0 0 228.295 2.452 10 0 BEAERN CC(C)c1nccnc1NC[C@H]1CCO[C@@H](C)C1 ZINC000413218030 490273962 /nfs/dbraw/zinc/27/39/62/490273962.db2.gz GLHQDTMTOWDZBB-RYUDHWBXSA-N 0 0 249.358 2.249 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000128272504 490576165 /nfs/dbraw/zinc/57/61/65/490576165.db2.gz PMTZJYAHLOKUHZ-IONNQARKSA-N 0 0 217.259 2.337 10 0 BEAERN COc1ccc(C[C@H](C)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000128276132 490576244 /nfs/dbraw/zinc/57/62/44/490576244.db2.gz WCYCEUSMBTXSEI-SUNKGSAMSA-N 0 0 247.338 2.398 10 0 BEAERN CCc1cc(N[C@@](C)(CC)CCO)ncn1 ZINC000230216838 491128688 /nfs/dbraw/zinc/12/86/88/491128688.db2.gz ZLLUDGYVZRXGCC-LBPRGKRZSA-N 0 0 223.320 2.002 10 0 BEAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1C ZINC000132902942 491141991 /nfs/dbraw/zinc/14/19/91/491141991.db2.gz RAINZNSZWRMRHR-POYBYMJQSA-N 0 0 208.261 2.140 10 0 BEAERN CC[C@H](C)C(=O)CSc1nnc2ccccn21 ZINC000133147898 491147292 /nfs/dbraw/zinc/14/72/92/491147292.db2.gz NXSOUEQQAVYKLT-VIFPVBQESA-N 0 0 249.339 2.437 10 0 BEAERN Cc1cc(F)c(C(=O)N[C@H]2C[C@H]2C)cc1F ZINC000133876250 491160951 /nfs/dbraw/zinc/16/09/51/491160951.db2.gz DJOWRKHHBGMBBQ-HQJQHLMTSA-N 0 0 225.238 2.411 10 0 BEAERN CCCC[C@@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757124032 582499566 /nfs/dbraw/zinc/49/95/66/582499566.db2.gz BREVUUJQGAJMRA-MRVPVSSYSA-N 0 0 243.328 2.462 10 0 BEAERN CC[C@H](C)[C@@H](O)c1nc(C(C)=O)cs1 ZINC000757130211 582505194 /nfs/dbraw/zinc/50/51/94/582505194.db2.gz OEFGWKRDWIQBNE-IMTBSYHQSA-N 0 0 213.302 2.425 10 0 BEAERN CC(C)c1cnn(-c2cccnc2C=O)c1 ZINC000757164862 582546576 /nfs/dbraw/zinc/54/65/76/582546576.db2.gz BTKUUJGPGOZTNO-UHFFFAOYSA-N 0 0 215.256 2.203 10 0 BEAERN Cc1cccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1Cl ZINC000757193438 582557244 /nfs/dbraw/zinc/55/72/44/582557244.db2.gz PSLFKRVFZHCJJW-ZJUUUORDSA-N 0 0 239.702 2.036 10 0 BEAERN CSC[C@@H]1CCCN1C(=O)OC(C)C ZINC000400312918 533748233 /nfs/dbraw/zinc/74/82/33/533748233.db2.gz BLMOMYYFCUVKKR-VIFPVBQESA-N 0 0 217.334 2.359 10 0 BEAERN COCCCNc1cc(Cl)ccc1N ZINC000114494261 582634054 /nfs/dbraw/zinc/63/40/54/582634054.db2.gz SIQVLMBVMSVMEE-UHFFFAOYSA-N 0 0 214.696 2.371 10 0 BEAERN CC[C@@H]1COCCN1c1c(F)cc(N)cc1F ZINC000038040190 535836360 /nfs/dbraw/zinc/83/63/60/535836360.db2.gz JKXMWVPJTLQNSK-SECBINFHSA-N 0 0 242.269 2.162 10 0 BEAERN CC[C@H](C)CC(=O)N1[C@H](C)COC[C@H]1C ZINC000249391096 536116889 /nfs/dbraw/zinc/11/68/89/536116889.db2.gz GAORYKQZVFYNGF-HBNTYKKESA-N 0 0 213.321 2.058 10 0 BEAERN Cc1nc(CN2C[C@@H]3O[C@H](C)C[C@H]3C2)cs1 ZINC000503718648 534370043 /nfs/dbraw/zinc/37/00/43/534370043.db2.gz IGRAPARDJKFZDB-QRTLGDNMSA-N 0 0 238.356 2.061 10 0 BEAERN CCN[C@@](C)(C(=O)OC)c1cccc(Cl)c1 ZINC000095535192 520131085 /nfs/dbraw/zinc/13/10/85/520131085.db2.gz RQMSQXZSMYUBKP-GFCCVEGCSA-N 0 0 241.718 2.338 10 0 BEAERN CCCOc1ccc(CN2CCNC2=O)cc1 ZINC000229007432 520349763 /nfs/dbraw/zinc/34/97/63/520349763.db2.gz WAQUTBMOYMPAPH-UHFFFAOYSA-N 0 0 234.299 2.001 10 0 BEAERN C[C@@H](OC(=O)C(C1CC1)C1CC1)[C@@H]1CCOC1 ZINC000127698056 582818530 /nfs/dbraw/zinc/81/85/30/582818530.db2.gz LQYKXYQYYYQNKO-BXKDBHETSA-N 0 0 238.327 2.391 10 0 BEAERN CCCC[C@H](C(=O)OCC)C(=O)C(F)(F)F ZINC000390243534 521124918 /nfs/dbraw/zinc/12/49/18/521124918.db2.gz PKJRABGROUDFHL-ZETCQYMHSA-N 0 0 240.221 2.487 10 0 BEAERN CCCn1ccnc1CNCc1ccco1 ZINC000022863522 521663045 /nfs/dbraw/zinc/66/30/45/521663045.db2.gz OXTRMJQYEMYZHG-UHFFFAOYSA-N 0 0 219.288 2.176 10 0 BEAERN COC(=O)[C@@H](c1ccccc1Cl)N(C)C ZINC000095532605 523656522 /nfs/dbraw/zinc/65/65/22/523656522.db2.gz JWMWFMUDFXWFTO-SNVBAGLBSA-N 0 0 227.691 2.116 10 0 BEAERN CCc1c/c(=N\O)oc2cc(OC)ccc12 ZINC000032500159 523729295 /nfs/dbraw/zinc/72/92/95/523729295.db2.gz DFOJLYJQLISPKT-OUKQBFOZSA-N 0 0 219.240 2.294 10 0 BEAERN Cc1cccc(N2NC[C@H]3C(=O)CCC[C@H]32)c1C ZINC000261507364 524569699 /nfs/dbraw/zinc/56/96/99/524569699.db2.gz HTPYWUSNYJOEHF-TZMCWYRMSA-N 0 0 244.338 2.366 10 0 BEAERN CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C(C)C ZINC000260345535 582880016 /nfs/dbraw/zinc/88/00/16/582880016.db2.gz DAXZZEMIIITEQS-GHMZBOCLSA-N 0 0 212.289 2.191 10 0 BEAERN COc1cccc(OC)c1-c1csc(N)n1 ZINC000096378774 526214381 /nfs/dbraw/zinc/21/43/81/526214381.db2.gz SULKHZRDVAWEMI-UHFFFAOYSA-N 0 0 236.296 2.410 10 0 BEAERN O=C(CCSCCO)c1cccs1 ZINC000058826542 526538917 /nfs/dbraw/zinc/53/89/17/526538917.db2.gz XMQOWEALXCWPEI-UHFFFAOYSA-N 0 0 216.327 2.046 10 0 BEAERN O=C(NCc1cc(-c2cccs2)on1)C1CC1 ZINC000012235708 526638219 /nfs/dbraw/zinc/63/82/19/526638219.db2.gz YWLHCMUYHXPUEM-UHFFFAOYSA-N 0 0 248.307 2.429 10 0 BEAERN Nc1cnn(COc2ccc(F)c(Cl)c2)c1 ZINC000002535018 527539842 /nfs/dbraw/zinc/53/98/42/527539842.db2.gz WZWAJDMAKQNPRH-UHFFFAOYSA-N 0 0 241.653 2.294 10 0 BEAERN CCCC[C@H](C)C(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000401886318 528883114 /nfs/dbraw/zinc/88/31/14/528883114.db2.gz FJKDTLBUXWJJNY-GRYCIOLGSA-N 0 0 227.348 2.042 10 0 BEAERN CCCC[C@H](CC)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000401952449 528900044 /nfs/dbraw/zinc/90/00/44/528900044.db2.gz MESFVTUZKMHBRU-AGIUHOORSA-N 0 0 241.375 2.432 10 0 BEAERN CC[C@H](CC(C)C)C(=O)N1CCC[C@H](O)[C@H]1C ZINC000308004364 529307657 /nfs/dbraw/zinc/30/76/57/529307657.db2.gz UWUGMLDBPZNDHO-UPJWGTAASA-N 0 0 241.375 2.431 10 0 BEAERN CCCC[C@H](CC)CSC[C@@H](O)CO ZINC000086660555 535011972 /nfs/dbraw/zinc/01/19/72/535011972.db2.gz WZQWSWMEERVFPL-QWRGUYRKSA-N 0 0 220.378 2.289 10 0 BEAERN CC(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](C)C1 ZINC000226859429 535127424 /nfs/dbraw/zinc/12/74/24/535127424.db2.gz YMFBJRADPJLNIL-QWRGUYRKSA-N 0 0 213.321 2.075 10 0 BEAERN CC(C)n1ncc(N)c1C(=O)OC(C)(C)C ZINC000408717482 535127747 /nfs/dbraw/zinc/12/77/47/535127747.db2.gz CCXPPRLBKGVFEY-UHFFFAOYSA-N 0 0 225.292 2.002 10 0 BEAERN CC(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]32)no1 ZINC000329910993 535338078 /nfs/dbraw/zinc/33/80/78/535338078.db2.gz AHRZKELRUDKCAC-UWVGGRQHSA-N 0 0 249.314 2.236 10 0 BEAERN CC(C)=CC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000080512970 535344178 /nfs/dbraw/zinc/34/41/78/535344178.db2.gz UCWRNQZVHLPVAW-QWHCGFSZSA-N 0 0 247.342 2.449 10 0 BEAERN CCC[C@@H]1CN(C)c2cc(N)ccc2O1 ZINC000026509585 535435241 /nfs/dbraw/zinc/43/52/41/535435241.db2.gz WQCUMKNJJYHFSK-SNVBAGLBSA-N 0 0 206.289 2.266 10 0 BEAERN CC[C@@H](C)[C@@H](C)NC(=O)c1ncncc1Cl ZINC000175805710 535642734 /nfs/dbraw/zinc/64/27/34/535642734.db2.gz VCCSHADTLLFIMT-HTQZYQBOSA-N 0 0 241.722 2.294 10 0 BEAERN CCOC(=O)CNc1cccc(-c2cc[nH]n2)c1 ZINC000193586186 535683826 /nfs/dbraw/zinc/68/38/26/535683826.db2.gz GCTHHKOVLGQKBW-UHFFFAOYSA-N 0 0 245.282 2.052 10 0 BEAERN CC[C@@H]1COCCN1c1cc(N)ccc1C ZINC000053735097 535835456 /nfs/dbraw/zinc/83/54/56/535835456.db2.gz MWDUDZGQNQLXOH-GFCCVEGCSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@@H]1COCCN1c1cccc(N)c1C ZINC000062724779 535837892 /nfs/dbraw/zinc/83/78/92/535837892.db2.gz DXBZWINZFSLNGX-LLVKDONJSA-N 0 0 220.316 2.192 10 0 BEAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000249654817 535960586 /nfs/dbraw/zinc/96/05/86/535960586.db2.gz VAENFSVSDUSESJ-MROQNXINSA-N 0 0 239.359 2.449 10 0 BEAERN CC[C@H](C)CN(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191562720 536120825 /nfs/dbraw/zinc/12/08/25/536120825.db2.gz NXZGXGQSDNDVCV-TUAOUCFPSA-N 0 0 227.348 2.306 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1cccc(F)c1N ZINC000037419763 536171206 /nfs/dbraw/zinc/17/12/06/536171206.db2.gz GCVQTNWXFHPQRV-ZJUUUORDSA-N 0 0 238.306 2.412 10 0 BEAERN CC[C@H]1CO[C@H](C)CN1c1cc(F)ccc1N ZINC000052120556 536171487 /nfs/dbraw/zinc/17/14/87/536171487.db2.gz WKEHZLRLECKRJZ-KOLCDFICSA-N 0 0 238.306 2.412 10 0 BEAERN CN1CCN(C[C@@H](O)C(C)(C)C)c2ccccc21 ZINC000104272030 536412939 /nfs/dbraw/zinc/41/29/39/536412939.db2.gz PNYRKFXXAKFROO-CQSZACIVSA-N 0 0 248.370 2.350 10 0 BEAERN CN1CCOc2cc(Cl)c(F)cc21 ZINC000062522635 536446604 /nfs/dbraw/zinc/44/66/04/536446604.db2.gz NSOSBSJXAFSZEA-UHFFFAOYSA-N 0 0 201.628 2.308 10 0 BEAERN COC1(C(=O)N[C@@H](C)C(C)C)CCCCC1 ZINC000185207489 536536292 /nfs/dbraw/zinc/53/62/92/536536292.db2.gz UBLDOCCLXPNGII-NSHDSACASA-N 0 0 227.348 2.496 10 0 BEAERN Cc1ccc([C@H]2NCCc3ccoc32)o1 ZINC000703088477 582930794 /nfs/dbraw/zinc/93/07/94/582930794.db2.gz JOQBRJNLCHMEMM-LLVKDONJSA-N 0 0 203.241 2.416 10 0 BEAERN COC1CCN(c2cc(N)cc(F)c2)CC1 ZINC000037667965 536756305 /nfs/dbraw/zinc/75/63/05/536756305.db2.gz KFRUCYFCEBJYCE-UHFFFAOYSA-N 0 0 224.279 2.023 10 0 BEAERN O=C1CCN[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725256759 538059622 /nfs/dbraw/zinc/05/96/22/538059622.db2.gz PBZBZEDJXQJNOV-JTQLQIEISA-N 0 0 229.201 2.309 10 0 BEAERN Cn1nccc1-c1cc(N)c2cc(F)ccc2n1 ZINC000725257735 538067574 /nfs/dbraw/zinc/06/75/74/538067574.db2.gz WSFMHOKOBGTUJY-UHFFFAOYSA-N 0 0 242.257 2.357 10 0 BEAERN Ic1ccc2c(c1)COC2 ZINC000107339441 566388277 /nfs/dbraw/zinc/38/82/77/566388277.db2.gz IPSKKAJUZRMDJR-UHFFFAOYSA-N 0 0 246.047 2.321 10 0 BEAERN CC[C@H]1CN(C(=O)OC2CC2)C[C@H](CC)O1 ZINC000669381210 566424895 /nfs/dbraw/zinc/42/48/95/566424895.db2.gz BKVOXMQBRAAONE-UWVGGRQHSA-N 0 0 227.304 2.175 10 0 BEAERN CCCN=[S@](=O)(NCC)c1cccc(N)c1 ZINC000675073964 566454267 /nfs/dbraw/zinc/45/42/67/566454267.db2.gz CMBZUVAGZJVDSX-MRXNPFEDSA-N 0 0 241.360 2.030 10 0 BEAERN COC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 ZINC000029340877 560091378 /nfs/dbraw/zinc/09/13/78/560091378.db2.gz VOZJBFJHMHRLDN-ZUVMSYQZSA-N 0 0 232.235 2.158 10 0 biogenic,in-vivo BEAERN O[C@@H]1c2c(ccc3ccccc32)C=C[C@@H]1O ZINC000004096428 560194040 /nfs/dbraw/zinc/19/40/40/560194040.db2.gz FOTICWSJABVKPW-JSGCOSHPSA-N 0 0 212.248 2.261 10 0 in-vitro BEAERN CC(C)(C)/C=C/C(=O)OCC(=O)C1CC1 ZINC000111677609 588766400 /nfs/dbraw/zinc/76/64/00/588766400.db2.gz YQZGRHFBVUSTFY-VOTSOKGWSA-N 0 0 210.273 2.111 10 0 BEAERN CC(C)(C)/C=C/C(=O)OC[C@@H]1CCCO1 ZINC000111677643 588766405 /nfs/dbraw/zinc/76/64/05/588766405.db2.gz XKEJTEWNVKNISQ-FGEFZZPRSA-N 0 0 212.289 2.311 10 0 BEAERN Cc1ccnc(-c2noc([C@H](N)CC(C)C)n2)c1 ZINC000111679538 588766452 /nfs/dbraw/zinc/76/64/52/588766452.db2.gz VRKHWODKBRPIOD-SNVBAGLBSA-N 0 0 246.314 2.486 10 0 BEAERN CO[C@@H](C)CC(=O)OCCc1ccc(F)cc1 ZINC000111992375 588777749 /nfs/dbraw/zinc/77/77/49/588777749.db2.gz DDWPYLKNNNEZEN-JTQLQIEISA-N 0 0 240.274 2.336 10 0 BEAERN C[C@H](Cc1ccccc1)C(=O)OC[C@H]1CCOC1 ZINC000112119715 588782477 /nfs/dbraw/zinc/78/24/77/588782477.db2.gz UJSSLGOBTRPDQV-OCCSQVGLSA-N 0 0 248.322 2.445 10 0 BEAERN CCO[C@@H](C)C(=O)OCCSC(C)(C)C ZINC000112764176 588816420 /nfs/dbraw/zinc/81/64/20/588816420.db2.gz LYRULCJCKNKRCX-VIFPVBQESA-N 0 0 234.361 2.486 10 0 BEAERN CCC(C)(CC)NC(=O)C[C@H](C)OC ZINC000112826992 588818345 /nfs/dbraw/zinc/81/83/45/588818345.db2.gz GHKAJLJEISZYAA-VIFPVBQESA-N 0 0 201.310 2.106 10 0 BEAERN Cc1nn(C)cc1C(=O)Oc1ccccc1C ZINC000113009786 588822408 /nfs/dbraw/zinc/82/24/08/588822408.db2.gz RUCNMLWDLZITIB-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN Cn1nc(C(C)(C)C)nc1-c1ccsc1N ZINC000104925222 582459465 /nfs/dbraw/zinc/45/94/65/582459465.db2.gz SMSIKXDZFIXSKP-UHFFFAOYSA-N 0 0 236.344 2.423 10 0 BEAERN COC(=O)[C@@]1(Cl)O[C@]12CCCC(C)(C)C2 ZINC000234591795 582460930 /nfs/dbraw/zinc/46/09/30/582460930.db2.gz SHHHWEORDRGSBC-WDEREUQCSA-N 0 0 232.707 2.464 10 0 BEAERN COC(=O)[C@]1(Cl)O[C@]12CCC(C)(C)C2 ZINC000234599586 582461788 /nfs/dbraw/zinc/46/17/88/582461788.db2.gz SHCVFWWNQWFTSR-UWVGGRQHSA-N 0 0 218.680 2.074 10 0 BEAERN CCc1nc([C@@H](O)[C@H](C)CC)sc1N ZINC000757123746 582498278 /nfs/dbraw/zinc/49/82/78/582498278.db2.gz AYQUJZPQNKBAOJ-SVRRBLITSA-N 0 0 214.334 2.367 10 0 BEAERN CCCC[C@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757124065 582499672 /nfs/dbraw/zinc/49/96/72/582499672.db2.gz BVEUKJMQEBBPLU-VIFPVBQESA-N 0 0 228.361 2.395 10 0 BEAERN CCOC1=N[C@@H](CC(C)C)C(OCC)=NC1 ZINC000757125715 582500082 /nfs/dbraw/zinc/50/00/82/582500082.db2.gz APEVACZDNLYLBQ-JTQLQIEISA-N 0 0 226.320 2.285 10 0 BEAERN COC(=O)c1sc([C@H](O)C2(C)CC2)nc1C ZINC000757126231 582500705 /nfs/dbraw/zinc/50/07/05/582500705.db2.gz GLZCQDZWOVOPML-QMMMGPOBSA-N 0 0 241.312 2.072 10 0 BEAERN CC(=O)c1csc([C@H](O)[C@@H]2C[C@@H]2C)n1 ZINC000757126429 582500718 /nfs/dbraw/zinc/50/07/18/582500718.db2.gz HOOBCYGVCHMYBR-MTQIGAJGSA-N 0 0 211.286 2.035 10 0 BEAERN Cn1ccc2cc(NCC3(CO)CC3)ccc21 ZINC000757127837 582503571 /nfs/dbraw/zinc/50/35/71/582503571.db2.gz IASZMAKLQRAUQS-UHFFFAOYSA-N 0 0 230.311 2.363 10 0 BEAERN OCC1(CNc2cc3ccccc3[nH]2)CC1 ZINC000757137125 582515905 /nfs/dbraw/zinc/51/59/05/582515905.db2.gz WYRVERGSYXTNKB-UHFFFAOYSA-N 0 0 216.284 2.352 10 0 BEAERN OCCCCNc1cc2ccccc2[nH]1 ZINC000757137127 582516261 /nfs/dbraw/zinc/51/62/61/582516261.db2.gz XAXKQKXLOSLUCS-UHFFFAOYSA-N 0 0 204.273 2.352 10 0 BEAERN COC[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757144449 582525919 /nfs/dbraw/zinc/52/59/19/582525919.db2.gz KIZHDXIMIIXWGU-SNVBAGLBSA-N 0 0 214.692 2.198 10 0 BEAERN O[C@H](COc1cccc(Cl)c1)C1CC1 ZINC000136690118 582538648 /nfs/dbraw/zinc/53/86/48/582538648.db2.gz MJOVMMDHHXTNIR-LLVKDONJSA-N 0 0 212.676 2.490 10 0 BEAERN Cc1ccoc1CSc1cc(N)ncn1 ZINC000757162830 582545531 /nfs/dbraw/zinc/54/55/31/582545531.db2.gz BJJDDANNTCLFPK-UHFFFAOYSA-N 0 0 221.285 2.253 10 0 BEAERN O=C1C=C(c2cccc(Br)c2)CO1 ZINC000757178779 582553630 /nfs/dbraw/zinc/55/36/30/582553630.db2.gz ODVIFPBDJDGLPR-UHFFFAOYSA-N 0 0 239.068 2.389 10 0 BEAERN CCOC(=O)/C=C1\COc2cc(F)ccc21 ZINC000757189436 582555959 /nfs/dbraw/zinc/55/59/59/582555959.db2.gz HLQHKVMYSKOFHJ-VMPITWQZSA-N 0 0 222.215 2.165 10 0 BEAERN COC(=O)/C=C1/CCC[C@@]12CCCCO2 ZINC000757192191 582556693 /nfs/dbraw/zinc/55/66/93/582556693.db2.gz OKRYONQOUWUFMB-PRDAAYKISA-N 0 0 210.273 2.209 10 0 BEAERN CCOC(=O)/C=C(/C)c1cc(N)ccc1F ZINC000757191417 582556776 /nfs/dbraw/zinc/55/67/76/582556776.db2.gz OIBQAMALGLVVRF-VURMDHGXSA-N 0 0 223.247 2.374 10 0 BEAERN Cc1cccc([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1Cl ZINC000757193436 582557260 /nfs/dbraw/zinc/55/72/60/582557260.db2.gz PSLFKRVFZHCJJW-UWVGGRQHSA-N 0 0 239.702 2.036 10 0 BEAERN Cc1ccc2oc([C@@H]3C[NH2+]C[C@@H]3C(=O)[O-])cc2c1 ZINC000757193844 582557765 /nfs/dbraw/zinc/55/77/65/582557765.db2.gz SMZIHAUSQRYDQS-MNOVXSKESA-N 0 0 245.278 2.129 10 0 BEAERN Cc1cc(Cl)cc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1 ZINC000757195140 582558217 /nfs/dbraw/zinc/55/82/17/582558217.db2.gz ZXAJNVFMPZMGFQ-MNOVXSKESA-N 0 0 239.702 2.036 10 0 BEAERN O=C([O-])[C@H]1[NH2+]CCC[C@H]1c1cccc2cc[nH]c21 ZINC000757217797 582561459 /nfs/dbraw/zinc/56/14/59/582561459.db2.gz SMKROMGUTZBGRK-AAEUAGOBSA-N 0 0 244.294 2.088 10 0 BEAERN CC(=O)c1cccc([C@H]2[NH2+]CCC[C@@H]2C(=O)[O-])c1 ZINC000757216872 582561885 /nfs/dbraw/zinc/56/18/85/582561885.db2.gz QLGUDMNCVCVFDJ-QWHCGFSZSA-N 0 0 247.294 2.015 10 0 BEAERN CC(=O)c1cccc([C@H]2[NH2+]CCC[C@H]2C(=O)[O-])c1 ZINC000757216870 582561896 /nfs/dbraw/zinc/56/18/96/582561896.db2.gz QLGUDMNCVCVFDJ-CHWSQXEVSA-N 0 0 247.294 2.015 10 0 BEAERN CC(=O)c1cccc([C@@H]2C[C@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757218514 582562543 /nfs/dbraw/zinc/56/25/43/582562543.db2.gz VMBKSYXFTIZGIY-OLZOCXBDSA-N 0 0 247.294 2.015 10 0 BEAERN Cc1cc2n(n1)[C@H]([C@H]1CC[C@@H](C)O1)CCN2 ZINC000235373558 582569473 /nfs/dbraw/zinc/56/94/73/582569473.db2.gz NKANFZHUUQPZJB-OUAUKWLOSA-N 0 0 221.304 2.116 10 0 BEAERN C[C@H]1CCNc2nc(C(F)(F)F)cn21 ZINC000235570093 582594380 /nfs/dbraw/zinc/59/43/80/582594380.db2.gz SKLHVSIKIWOYJS-YFKPBYRVSA-N 0 0 205.183 2.279 10 0 BEAERN C[C@H]1CCn2nc(-c3ccncc3)cc2N1 ZINC000235714859 582604957 /nfs/dbraw/zinc/60/49/57/582604957.db2.gz UYHBFFCMGGNHEB-VIFPVBQESA-N 0 0 214.272 2.149 10 0 BEAERN Nc1cnn2c1NCC[C@@H]2C1CCCCC1 ZINC000236376178 582654056 /nfs/dbraw/zinc/65/40/56/582654056.db2.gz SLVYDDPEJGHABI-LLVKDONJSA-N 0 0 220.320 2.402 10 0 BEAERN O=C1C[C@@H](c2cc(Cl)ccc2F)CN1 ZINC000238637280 582672376 /nfs/dbraw/zinc/67/23/76/582672376.db2.gz KUXRDNWIXQEQHH-ZCFIWIBFSA-N 0 0 213.639 2.083 10 0 BEAERN O[C@@H](CCc1ccccc1)c1cn[nH]c1 ZINC000379804667 582683835 /nfs/dbraw/zinc/68/38/35/582683835.db2.gz NMAMKQLVXBXTMN-LBPRGKRZSA-N 0 0 202.257 2.076 10 0 BEAERN CCOC(=O)c1noc([C@H](C)C(C)(F)F)n1 ZINC000382022849 582696829 /nfs/dbraw/zinc/69/68/29/582696829.db2.gz QYNAKUJENKCMGV-YFKPBYRVSA-N 0 0 234.202 2.005 10 0 BEAERN CC(C)(C)OC(=O)N1CC[C@@H]1c1ncccn1 ZINC000725255089 582759728 /nfs/dbraw/zinc/75/97/28/582759728.db2.gz RLIDUUGBPIOMGT-SECBINFHSA-N 0 0 235.287 2.159 10 0 BEAERN COC(OC)[C@@H](C)C(=O)C1CCCC1 ZINC000387486075 582866308 /nfs/dbraw/zinc/86/63/08/582866308.db2.gz XLRFNEYEOCELOZ-QMMMGPOBSA-N 0 0 200.278 2.001 10 0 BEAERN COC(=O)c1nnn(C2CC2)c1C1CCCC1 ZINC000260647857 582881134 /nfs/dbraw/zinc/88/11/34/582881134.db2.gz VCJDTKYPFYWULW-UHFFFAOYSA-N 0 0 235.287 2.057 10 0 BEAERN Cc1cc(N)nn1CC1CCC(C)CC1 ZINC000389593258 582881251 /nfs/dbraw/zinc/88/12/51/582881251.db2.gz NHSXPEOKFJRLOC-UHFFFAOYSA-N 0 0 207.321 2.430 10 0 BEAERN CCOC(=O)c1nnn(CC)c1C1CCCC1 ZINC000260776758 582881607 /nfs/dbraw/zinc/88/16/07/582881607.db2.gz SIDNKKDBFLUZHU-UHFFFAOYSA-N 0 0 237.303 2.132 10 0 BEAERN CCOC(=O)c1noc(C2CC(C)(C)C2)n1 ZINC000701445949 582916114 /nfs/dbraw/zinc/91/61/14/582916114.db2.gz FXRKJQRHYQLCRS-UHFFFAOYSA-N 0 0 224.260 2.150 10 0 BEAERN CC(C)C1CCC(C[C@H](C[NH3+])C(=O)[O-])CC1 ZINC000393812550 582926743 /nfs/dbraw/zinc/92/67/43/582926743.db2.gz CYAHOLCKRIABPL-HTAVTVPLSA-N 0 0 227.348 2.498 10 0 BEAERN c1cc2c(o1)CC[NH2+][C@@H]2[C@H]1CCCCO1 ZINC000702581427 582927121 /nfs/dbraw/zinc/92/71/21/582927121.db2.gz TUGMPXCBRHFEMD-NEPJUHHUSA-N 0 0 207.273 2.036 10 0 BEAERN CCOC(OCC)[C@H](C)C(=O)C(F)(F)F ZINC000702915426 582929931 /nfs/dbraw/zinc/92/99/31/582929931.db2.gz UDCUXFHEPVYSTQ-ZCFIWIBFSA-N 0 0 228.210 2.153 10 0 BEAERN Nc1nn(CCOC2CCCC2)cc1Cl ZINC000706696779 582960304 /nfs/dbraw/zinc/96/03/04/582960304.db2.gz FWUMZJJTDCYEOO-UHFFFAOYSA-N 0 0 229.711 2.078 10 0 BEAERN Nc1cnn(C[C@H]2CCCCC2(F)F)c1 ZINC000394494163 582987784 /nfs/dbraw/zinc/98/77/84/582987784.db2.gz SYDNIQGJKBCNJO-MRVPVSSYSA-N 0 0 215.247 2.291 10 0 BEAERN CC1(C)C[C@H]1C(O)=CC(=O)C(F)(F)F ZINC000397675608 583105904 /nfs/dbraw/zinc/10/59/04/583105904.db2.gz KJGOTASYDPVANX-YFKPBYRVSA-N 0 0 208.179 2.123 10 0 BEAERN CSCCC(=O)O[C@@H](C)c1cccnc1 ZINC000113684444 583111130 /nfs/dbraw/zinc/11/11/30/583111130.db2.gz FQWCCTNZTYRZML-VIFPVBQESA-N 0 0 225.313 2.439 10 0 BEAERN O=C(/C=C/c1ccccc1F)N1CCCO1 ZINC000216851609 583170639 /nfs/dbraw/zinc/17/06/39/583170639.db2.gz OCDBNGCDCGGSSD-VOTSOKGWSA-N 0 0 221.231 2.003 10 0 BEAERN CCOC(=O)[C@H](O)[C@@]1(F)C[C@H](C)C[C@H](C)C1 ZINC000675052478 583301639 /nfs/dbraw/zinc/30/16/39/583301639.db2.gz FJICFNFYTZRXJF-WYFGTUCQSA-N 0 0 232.295 2.075 10 0 BEAERN CCOC(=O)[C@H](CC(C)=O)C(=O)c1ccccc1 ZINC000034346591 583418831 /nfs/dbraw/zinc/41/88/31/583418831.db2.gz LHYKQSVMWFDSNL-GFCCVEGCSA-N 0 0 248.278 2.028 10 0 BEAERN CC(C)[C@H](C)NC(=O)c1ccc2[nH]cnc2c1F ZINC000895460150 583678094 /nfs/dbraw/zinc/67/80/94/583678094.db2.gz LMCQQVPLSJVPDT-QMMMGPOBSA-N 0 0 249.289 2.476 10 0 BEAERN CC[C@@H]1CCC[C@@H](OC(=O)[C@@H](C)NC(C)=O)C1 ZINC000115919318 588935770 /nfs/dbraw/zinc/93/57/70/588935770.db2.gz NWUXPCPTJGGIJH-YUSALJHKSA-N 0 0 241.331 2.023 10 0 BEAERN C[C@H]1C[C@@H]1NC(=O)c1ccnc(NC2CCC2)c1 ZINC000900540198 584323984 /nfs/dbraw/zinc/32/39/84/584323984.db2.gz HRYGWMYMTVYIOR-CABZTGNLSA-N 0 0 245.326 2.184 10 0 BEAERN CCCCC[C@H](C)NC(=O)[C@H](C)COC ZINC000103357359 585096570 /nfs/dbraw/zinc/09/65/70/585096570.db2.gz LQZRIOSNBTWEDH-MNOVXSKESA-N 0 0 215.337 2.354 10 0 BEAERN COC[C@H](C)C(=O)Oc1cc(C)cc(C)c1 ZINC000103357194 585096695 /nfs/dbraw/zinc/09/66/95/585096695.db2.gz DVMNKXWBHLSJIX-NSHDSACASA-N 0 0 222.284 2.491 10 0 BEAERN COC[C@@H](C)C(=O)Oc1cccc(C)c1 ZINC000103356297 585096764 /nfs/dbraw/zinc/09/67/64/585096764.db2.gz JKQKLPKTVTYOGP-SNVBAGLBSA-N 0 0 208.257 2.183 10 0 BEAERN COC[C@@H](C)C(=O)Oc1ccccc1C ZINC000103356304 585096820 /nfs/dbraw/zinc/09/68/20/585096820.db2.gz DBZWUBCGXZZRLQ-SNVBAGLBSA-N 0 0 208.257 2.183 10 0 BEAERN COC[C@H](C)C(=O)Oc1ccc(C)cc1OC ZINC000103358824 585097093 /nfs/dbraw/zinc/09/70/93/585097093.db2.gz KKSMDCWZXYKXAG-JTQLQIEISA-N 0 0 238.283 2.192 10 0 BEAERN COC[C@H](C)C(=O)OCc1cccc(F)c1 ZINC000103552310 585335947 /nfs/dbraw/zinc/33/59/47/585335947.db2.gz MDGKJQHLOOIBGK-VIFPVBQESA-N 0 0 226.247 2.151 10 0 BEAERN CC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000103666239 586287202 /nfs/dbraw/zinc/28/72/02/586287202.db2.gz QYOKXIJNLCRXPU-CABZTGNLSA-N 0 0 248.278 2.110 10 0 BEAERN CC[C@@H](C)OC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000103666241 586287605 /nfs/dbraw/zinc/28/76/05/586287605.db2.gz QYOKXIJNLCRXPU-BXKDBHETSA-N 0 0 248.278 2.110 10 0 BEAERN CC[C@@H](C)OC(=O)c1ccc(COC)o1 ZINC000103666749 586287936 /nfs/dbraw/zinc/28/79/36/586287936.db2.gz IWPQJOXDQQEADB-MRVPVSSYSA-N 0 0 212.245 2.381 10 0 BEAERN CC[C@@H](C)OC(=O)CCCNC(=O)C(C)(C)C ZINC000103667374 586288813 /nfs/dbraw/zinc/28/88/13/586288813.db2.gz VDMMAFSCLVVWFH-SNVBAGLBSA-N 0 0 243.347 2.271 10 0 BEAERN CC(C)C[C@@H](C)OC(=O)CCn1cccn1 ZINC000103672894 586299768 /nfs/dbraw/zinc/29/97/68/586299768.db2.gz KPPCAFXBZNKZOR-LLVKDONJSA-N 0 0 224.304 2.251 10 0 BEAERN c1cc2c(nc([C@H]3CCOC3)nc2NC2CC2)[nH]1 ZINC000757566111 586305891 /nfs/dbraw/zinc/30/58/91/586305891.db2.gz KSZQMDSCDMHKSF-QMMMGPOBSA-N 0 0 244.298 2.036 10 0 BEAERN CCOCc1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757569559 586366906 /nfs/dbraw/zinc/36/69/06/586366906.db2.gz TYESDXCYBWZVIG-UHFFFAOYSA-N 0 0 234.303 2.315 10 0 BEAERN CCC[C@@H](C)c1nc2[nH]ccc2c(N)n1 ZINC000757569670 586376731 /nfs/dbraw/zinc/37/67/31/586376731.db2.gz UVZJMFVHQSWFDC-SSDOTTSWSA-N 0 0 204.277 2.395 10 0 BEAERN CCO[C@H](C)c1nc2[nH]ccc2c(NC)n1 ZINC000757569715 586380363 /nfs/dbraw/zinc/38/03/63/586380363.db2.gz UZQSMLQEIGQPQC-SSDOTTSWSA-N 0 0 220.276 2.049 10 0 BEAERN CC(=O)c1cc(C(=O)OC[C@@H]2C[C@@H]2C)n(C)c1 ZINC000103686908 586411206 /nfs/dbraw/zinc/41/12/06/586411206.db2.gz INMQABCBFTWDEK-KWQFWETISA-N 0 0 235.283 2.041 10 0 BEAERN C[C@H](OC[C@H]1CCCO1)C(=O)OCC(C)(C)C ZINC000103699956 586418520 /nfs/dbraw/zinc/41/85/20/586418520.db2.gz LLAJNHWLXDTJNO-WDEREUQCSA-N 0 0 244.331 2.160 10 0 BEAERN CCc1nc([C@@H](O)CC(C)C)sc1N ZINC000757126016 586426371 /nfs/dbraw/zinc/42/63/71/586426371.db2.gz GEXWEYIQDHJJHV-QMMMGPOBSA-N 0 0 214.334 2.367 10 0 BEAERN Cc1cc(Cn2cc(N)cn2)ccc1Cl ZINC000757161294 586431357 /nfs/dbraw/zinc/43/13/57/586431357.db2.gz UPEQRXBTXPYSQO-UHFFFAOYSA-N 0 0 221.691 2.475 10 0 BEAERN Cc1cc(C[C@@H](NN)C(F)F)ccc1Cl ZINC000757162020 586431727 /nfs/dbraw/zinc/43/17/27/586431727.db2.gz ZOLWNMNKQQXVMY-SECBINFHSA-N 0 0 234.677 2.288 10 0 BEAERN Cc1cc(CN2CCNC2=O)ccc1Cl ZINC000757161641 586432215 /nfs/dbraw/zinc/43/22/15/586432215.db2.gz WZUCKPFNVFATRY-UHFFFAOYSA-N 0 0 224.691 2.174 10 0 BEAERN CCC[C@]1(C)[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000757168623 586432717 /nfs/dbraw/zinc/43/27/17/586432717.db2.gz JMRNEENAZKDKBE-CWSCBRNRSA-N 0 0 243.347 2.451 10 0 BEAERN CCOC(=O)[C@@]1(F)C[C@H](C(C)C)CCC1=O ZINC000757182037 586433436 /nfs/dbraw/zinc/43/34/36/586433436.db2.gz FFARWKSEJFLGDS-BXKDBHETSA-N 0 0 230.279 2.283 10 0 BEAERN C[C@@H]1CCC(=O)[C@@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183337 586434123 /nfs/dbraw/zinc/43/41/23/586434123.db2.gz OCVLLYPPEJEUFV-PRHODGIISA-N 0 0 230.279 2.426 10 0 BEAERN CCOC(=O)/C=C(/C)c1c(C)nn(C)c1C ZINC000757188443 586434855 /nfs/dbraw/zinc/43/48/55/586434855.db2.gz AXZSVGPGZLAWMR-FPLPWBNLSA-N 0 0 222.288 2.003 10 0 BEAERN CCCCCc1sc(N)nc1C(=O)OC ZINC000757189585 586435388 /nfs/dbraw/zinc/43/53/88/586435388.db2.gz RLVAYEOEIJEVAV-UHFFFAOYSA-N 0 0 228.317 2.245 10 0 BEAERN O=C1Nc2c(c(Cl)c(Cl)cc2F)C1=O ZINC000757190316 586435555 /nfs/dbraw/zinc/43/55/55/586435555.db2.gz ONSMDXABSVQBKY-UHFFFAOYSA-N 0 0 234.013 2.267 10 0 BEAERN CCc1ccccc1[C@@H]1C[N@H+](CC)C[C@H]1C(=O)[O-] ZINC000757189830 586435665 /nfs/dbraw/zinc/43/56/65/586435665.db2.gz KXTOALSYWLWJQZ-UONOGXRCSA-N 0 0 247.338 2.369 10 0 BEAERN CC1(C)CCCC[C@@H]1[C@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757192961 586435985 /nfs/dbraw/zinc/43/59/85/586435985.db2.gz OYLSFGLRSLJXPY-GARJFASQSA-N 0 0 225.332 2.123 10 0 BEAERN Cc1cccc(C)c1[C@@H]1C[N@H+](C)C[C@@H]1C(=O)[O-] ZINC000757192397 586436097 /nfs/dbraw/zinc/43/60/97/586436097.db2.gz OFUAAVGNPKKJNG-NEPJUHHUSA-N 0 0 233.311 2.033 10 0 BEAERN Cc1csc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])c1Cl ZINC000757194157 586436488 /nfs/dbraw/zinc/43/64/88/586436488.db2.gz VWSKONUWOWCCMG-NKWVEPMBSA-N 0 0 245.731 2.098 10 0 BEAERN C[C@@H]1CC[C@H](c2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC000757208612 586437943 /nfs/dbraw/zinc/43/79/43/586437943.db2.gz AAGAQZPSIOMYGL-SKDRFNHKSA-N 0 0 219.284 2.240 10 0 BEAERN C[C@@H]1CCC[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757212192 586439089 /nfs/dbraw/zinc/43/90/89/586439089.db2.gz HOPOQDLZOBZTEH-SKDRFNHKSA-N 0 0 219.284 2.445 10 0 BEAERN C[C@H]1C[NH2+]C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757214088 586440265 /nfs/dbraw/zinc/44/02/65/586440265.db2.gz LEEDOYZHIKQSDA-SKDRFNHKSA-N 0 0 219.284 2.098 10 0 BEAERN CC(=O)c1ccc([C@@H]2[NH2+]CCC[C@H]2C(=O)[O-])cc1 ZINC000757218899 586442376 /nfs/dbraw/zinc/44/23/76/586442376.db2.gz XKUIGVVIHSTKER-OLZOCXBDSA-N 0 0 247.294 2.015 10 0 BEAERN C[C@@H]1CC[NH2+]C[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757228494 586442828 /nfs/dbraw/zinc/44/28/28/586442828.db2.gz CVTSQGOYPKWFGM-BXKDBHETSA-N 0 0 219.284 2.098 10 0 BEAERN Cc1sc([C@H]2CC[NH2+]C[C@@H]2C)cc1C(=O)[O-] ZINC000757234074 586443312 /nfs/dbraw/zinc/44/33/12/586443312.db2.gz KJGICICHNSOAEH-CBAPKCEASA-N 0 0 239.340 2.468 10 0 BEAERN c1cc2c(nc([C@@H]3CCCO3)nc2NC2CC2)[nH]1 ZINC000757564751 586461028 /nfs/dbraw/zinc/46/10/28/586461028.db2.gz FPBZZXLVCOMDQL-JTQLQIEISA-N 0 0 244.298 2.384 10 0 BEAERN CCc1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757563966 586461091 /nfs/dbraw/zinc/46/10/91/586461091.db2.gz ALARLIZBEYHPIA-UHFFFAOYSA-N 0 0 202.261 2.095 10 0 BEAERN CCNc1nc([C@@H](C)OCC)nc2[nH]ccc21 ZINC000757564181 586461150 /nfs/dbraw/zinc/46/11/50/586461150.db2.gz BMTDOOKVXYMOGO-MRVPVSSYSA-N 0 0 234.303 2.439 10 0 BEAERN c1cc2c(nc([C@H]3CCCO3)nc2NC2CC2)[nH]1 ZINC000757564764 586461221 /nfs/dbraw/zinc/46/12/21/586461221.db2.gz FPBZZXLVCOMDQL-SNVBAGLBSA-N 0 0 244.298 2.384 10 0 BEAERN CCCc1nc2[nH]ccc2c(NCC)n1 ZINC000757568885 586462048 /nfs/dbraw/zinc/46/20/48/586462048.db2.gz RWVYKMYBQFIEJC-UHFFFAOYSA-N 0 0 204.277 2.294 10 0 BEAERN COc1ccc(C2=CCOCC2)c(F)c1N ZINC000757570261 586462744 /nfs/dbraw/zinc/46/27/44/586462744.db2.gz BAEAUUQXCAZWHE-UHFFFAOYSA-N 0 0 223.247 2.220 10 0 BEAERN CC/C=C/COC(=O)c1ccc2c(c1)nnn2C ZINC000103801798 586815301 /nfs/dbraw/zinc/81/53/01/586815301.db2.gz QCCPSBVPWHVPEM-SNAWJCMRSA-N 0 0 245.282 2.091 10 0 BEAERN COC[C@@H](C)C(=O)OCc1sc(C)nc1C ZINC000103824640 586883465 /nfs/dbraw/zinc/88/34/65/586883465.db2.gz KIHDVDZBGFKFKP-SSDOTTSWSA-N 0 0 243.328 2.086 10 0 BEAERN CCOCC(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000102130433 587806887 /nfs/dbraw/zinc/80/68/87/587806887.db2.gz KWBRJENMVCOAKP-VIFPVBQESA-N 0 0 248.282 2.204 10 0 BEAERN Cc1cccc(C(=O)O[C@H]2C(=O)OCC2(C)C)c1 ZINC000105550168 588200218 /nfs/dbraw/zinc/20/02/18/588200218.db2.gz VPDLWMDPILYESH-NSHDSACASA-N 0 0 248.278 2.103 10 0 BEAERN CCCC(=O)NCC(=O)Oc1ccccc1CC ZINC000105755087 588220913 /nfs/dbraw/zinc/22/09/13/588220913.db2.gz IKWUNRDDMMUXKE-UHFFFAOYSA-N 0 0 249.310 2.071 10 0 BEAERN Cc1ccc(CCC(=O)O[C@@H]2CCOC2)cc1 ZINC000107011145 588322241 /nfs/dbraw/zinc/32/22/41/588322241.db2.gz XWLIDKWKOHVTOW-CYBMUJFWSA-N 0 0 234.295 2.260 10 0 BEAERN CCCOC(=O)c1ccc(-c2ncon2)cc1 ZINC000107363718 588355319 /nfs/dbraw/zinc/35/53/19/588355319.db2.gz IIGNDDCJTHWKPJ-UHFFFAOYSA-N 0 0 232.239 2.303 10 0 BEAERN COc1cc(Cl)cc(C(C)=O)c1O ZINC000107368854 588355330 /nfs/dbraw/zinc/35/53/30/588355330.db2.gz JXTMWQDXSUNDFQ-UHFFFAOYSA-N 0 0 200.621 2.257 10 0 BEAERN CCONC(=O)NCCCc1cccc(F)c1 ZINC000109354397 588547969 /nfs/dbraw/zinc/54/79/69/588547969.db2.gz NHIZOOXTRDWUGJ-UHFFFAOYSA-N 0 0 240.278 2.009 10 0 BEAERN O=C(CCC1CCCC1)OCC(=O)C1CC1 ZINC000109367260 588556237 /nfs/dbraw/zinc/55/62/37/588556237.db2.gz LANPSOPBWBQNDK-UHFFFAOYSA-N 0 0 224.300 2.479 10 0 BEAERN CCc1ccsc1C(=O)OCC(=O)C1CC1 ZINC000109371905 588557989 /nfs/dbraw/zinc/55/79/89/588557989.db2.gz VLUIBASNAQUQFL-UHFFFAOYSA-N 0 0 238.308 2.446 10 0 BEAERN CC(C)CCC(=O)NCC(=O)Oc1ccccc1 ZINC000110611263 588682728 /nfs/dbraw/zinc/68/27/28/588682728.db2.gz GULRNFLBFGHABY-UHFFFAOYSA-N 0 0 249.310 2.144 10 0 BEAERN CCCCOCC(=O)OCc1ccoc1C ZINC000118601304 589182420 /nfs/dbraw/zinc/18/24/20/589182420.db2.gz FKIBSBAQCYFRKG-UHFFFAOYSA-N 0 0 226.272 2.448 10 0 BEAERN CCOC(=O)C(C)(C)NCCc1cccs1 ZINC000118863326 589199581 /nfs/dbraw/zinc/19/95/81/589199581.db2.gz PJFIDKFQFLMSDL-UHFFFAOYSA-N 0 0 241.356 2.222 10 0 BEAERN COC(=O)[C@@H](CC(C)C)OC(=O)CC(C)C ZINC000118911124 589204013 /nfs/dbraw/zinc/20/40/13/589204013.db2.gz XQPPMQJQTBDRFO-SNVBAGLBSA-N 0 0 230.304 2.163 10 0 BEAERN COC(=O)[C@@H](CC(C)C)OC(=O)C1CCCC1 ZINC000118911527 589204980 /nfs/dbraw/zinc/20/49/80/589204980.db2.gz VKHRSSSCPJMCAI-LLVKDONJSA-N 0 0 242.315 2.308 10 0 BEAERN Cc1nonc1NC(=O)CCc1ccc(C)cc1 ZINC000119597945 589310924 /nfs/dbraw/zinc/31/09/24/589310924.db2.gz YWDYJOMWGJMAQL-UHFFFAOYSA-N 0 0 245.282 2.258 10 0 BEAERN C/C=C(/C)C(=O)O[C@H](CC(C)C)C(=O)OC ZINC000119631466 589315499 /nfs/dbraw/zinc/31/54/99/589315499.db2.gz WGWJECNFNXEQFO-ABRRARGCSA-N 0 0 228.288 2.084 10 0 BEAERN C[NH2+][C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000204373410 589333287 /nfs/dbraw/zinc/33/32/87/589333287.db2.gz BNIHASXPOKDHFH-CYBMUJFWSA-N 0 0 229.279 2.055 10 0 BEAERN CC(C)C(=O)OC[C@@H]1COc2ccccc2O1 ZINC000120224397 589393399 /nfs/dbraw/zinc/39/33/99/589393399.db2.gz BTHMDXIIWDMTNW-JTQLQIEISA-N 0 0 236.267 2.026 10 0 BEAERN CC(C)C(=O)OC[C@H]1COc2ccccc2O1 ZINC000120224514 589393655 /nfs/dbraw/zinc/39/36/55/589393655.db2.gz BTHMDXIIWDMTNW-SNVBAGLBSA-N 0 0 236.267 2.026 10 0 BEAERN C[C@@H]1CC[C@@H](CC(=O)OCC(=O)C2CC2)C1 ZINC000120292712 589400990 /nfs/dbraw/zinc/40/09/90/589400990.db2.gz JKRJMGMSECXTBK-NXEZZACHSA-N 0 0 224.300 2.335 10 0 BEAERN CCOC(=O)c1noc([C@H](C)C(C)(C)C)n1 ZINC000205542860 589449375 /nfs/dbraw/zinc/44/93/75/589449375.db2.gz PPQWNPRFWJCQLB-ZETCQYMHSA-N 0 0 226.276 2.396 10 0 BEAERN CCc1oc(C(=O)OCCF)cc1C ZINC000120815406 589469614 /nfs/dbraw/zinc/46/96/14/589469614.db2.gz UEJTYQZIWZMTRE-UHFFFAOYSA-N 0 0 200.209 2.277 10 0 BEAERN Cc1cc(C)cc(OC(=O)c2ccnn2C)c1 ZINC000121644673 589523881 /nfs/dbraw/zinc/52/38/81/589523881.db2.gz LAEREQCWJCLBPE-UHFFFAOYSA-N 0 0 230.267 2.256 10 0 BEAERN Cc1ccccc1C(=O)OCc1nccn1C ZINC000122032732 589550362 /nfs/dbraw/zinc/55/03/62/589550362.db2.gz YZQHLLWPXQLXRY-UHFFFAOYSA-N 0 0 230.267 2.086 10 0 BEAERN Cc1cc(C)cc(C(=O)OCc2nccn2C)c1 ZINC000122033388 589550549 /nfs/dbraw/zinc/55/05/49/589550549.db2.gz KQGGSGKTIUBQFQ-UHFFFAOYSA-N 0 0 244.294 2.394 10 0 BEAERN Cc1cc(C(C)C)nc(NCc2ccn(C)n2)n1 ZINC000122506485 589595778 /nfs/dbraw/zinc/59/57/78/589595778.db2.gz ANBCKRHPHGHXLZ-UHFFFAOYSA-N 0 0 245.330 2.254 10 0 BEAERN CC(C)[C@@H](C)OC(=O)c1cccc(F)n1 ZINC000123026606 589652817 /nfs/dbraw/zinc/65/28/17/589652817.db2.gz VPAZLEMQFAQOPE-MRVPVSSYSA-N 0 0 211.236 2.422 10 0 BEAERN CO[C@@H]1CCC[C@@H](OC(=O)C(C)C)C1 ZINC000123134907 589665768 /nfs/dbraw/zinc/66/57/68/589665768.db2.gz ATBIDDCASQBTHS-NXEZZACHSA-N 0 0 200.278 2.143 10 0 BEAERN COC[C@H](C)NC(=S)N[C@H](C)C1CCCC1 ZINC000123621545 589758975 /nfs/dbraw/zinc/75/89/75/589758975.db2.gz LFHDQVQYUDXUNK-VHSXEESVSA-N 0 0 244.404 2.064 10 0 BEAERN C[C@H]1CC[C@H](C(=O)Oc2cc(F)cc(F)c2)O1 ZINC000123969374 589888099 /nfs/dbraw/zinc/88/80/99/589888099.db2.gz LDMUMNQQACBGKU-WRWORJQWSA-N 0 0 242.221 2.438 10 0 BEAERN CCCn1cnnc1COC(=O)[C@H]1CC=CCC1 ZINC000124020335 589905280 /nfs/dbraw/zinc/90/52/80/589905280.db2.gz DPNHEUQQHBZUMX-NSHDSACASA-N 0 0 249.314 2.088 10 0 BEAERN CN(C)c1ccc(NCc2ccoc2)nc1 ZINC000124576470 590059328 /nfs/dbraw/zinc/05/93/28/590059328.db2.gz DZEVBJKFSGUAOF-UHFFFAOYSA-N 0 0 217.272 2.353 10 0 BEAERN C[C@@H]1CC[C@H](C(=O)Oc2cccc(F)c2)O1 ZINC000124789658 590085609 /nfs/dbraw/zinc/08/56/09/590085609.db2.gz FRNBEDQNBUZPMK-LDYMZIIASA-N 0 0 224.231 2.299 10 0 BEAERN COc1ccc(C=O)cc1OCc1ccno1 ZINC000020254017 590093909 /nfs/dbraw/zinc/09/39/09/590093909.db2.gz DMGRSATZBKDUOP-UHFFFAOYSA-N 0 0 233.223 2.075 10 0 BEAERN C[C@@H](O)c1ccc(N2CCC[C@@H]2C)nc1 ZINC000124920967 590102218 /nfs/dbraw/zinc/10/22/18/590102218.db2.gz BYAJPJJWNFIQAN-VHSXEESVSA-N 0 0 206.289 2.124 10 0 BEAERN C[C@@H](O)c1ccc(N2C[C@H](C)[C@H](C)C2)nc1 ZINC000124945514 590102820 /nfs/dbraw/zinc/10/28/20/590102820.db2.gz PVXBIHAUUMMMFM-OUAUKWLOSA-N 0 0 220.316 2.227 10 0 BEAERN CCOCC(COCC)OC(=O)C1CCCC1 ZINC000125206134 590155563 /nfs/dbraw/zinc/15/55/63/590155563.db2.gz SGFPCRSHVVVTLK-UHFFFAOYSA-N 0 0 244.331 2.161 10 0 BEAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cnc(NC)s1 ZINC000125330147 590162114 /nfs/dbraw/zinc/16/21/14/590162114.db2.gz KQRJGINLUTZRGW-SFYZADRCSA-N 0 0 239.344 2.103 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)OCc2ccsc2)O1 ZINC000125371563 590162695 /nfs/dbraw/zinc/16/26/95/590162695.db2.gz AZSWWJWMTIUVPV-WPRPVWTQSA-N 0 0 226.297 2.359 10 0 BEAERN C[C@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C(F)(F)F ZINC000125473658 590165325 /nfs/dbraw/zinc/16/53/25/590165325.db2.gz FUASRCSMCNLASQ-VQVTYTSYSA-N 0 0 226.194 2.048 10 0 BEAERN CC(C)[C@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125846482 590193358 /nfs/dbraw/zinc/19/33/58/590193358.db2.gz FYQQBLSNOGJPJI-JTQLQIEISA-N 0 0 236.315 2.421 10 0 BEAERN CN(C/C(Cl)=C/Cl)C[C@H]1CCCO1 ZINC000125994927 590203819 /nfs/dbraw/zinc/20/38/19/590203819.db2.gz WSVMIMMGXSZPOK-BZJXQOFCSA-N 0 0 224.131 2.416 10 0 BEAERN CO[C@H](C)COC(=O)CCCC[C@@H](C)C(C)=O ZINC000126122023 590235274 /nfs/dbraw/zinc/23/52/74/590235274.db2.gz LRZLKWRAKPQEQC-GHMZBOCLSA-N 0 0 244.331 2.350 10 0 BEAERN CC(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000126198607 590247781 /nfs/dbraw/zinc/24/77/81/590247781.db2.gz MNWJORCNZZLMOC-LLVKDONJSA-N 0 0 220.272 2.271 10 0 BEAERN Cc1ccccc1[C@H](O)CN(C)CC(F)F ZINC000126254041 590261040 /nfs/dbraw/zinc/26/10/40/590261040.db2.gz ULJCLYMDARTVCZ-LLVKDONJSA-N 0 0 229.270 2.225 10 0 BEAERN CCC(CC)OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000126462100 590312842 /nfs/dbraw/zinc/31/28/42/590312842.db2.gz ZVVSWZIHSMXBDG-PSASIEDQSA-N 0 0 200.278 2.286 10 0 BEAERN CCCCCCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000126709200 590420268 /nfs/dbraw/zinc/42/02/68/590420268.db2.gz DULGNODIJYYEDC-MNOVXSKESA-N 0 0 213.321 2.250 10 0 BEAERN CC(C)NC(=O)CCCC(=O)OC1(C)CCC1 ZINC000126745850 590432547 /nfs/dbraw/zinc/43/25/47/590432547.db2.gz QPLBCNRXWZIBJB-UHFFFAOYSA-N 0 0 241.331 2.167 10 0 BEAERN CCOCCOC(=O)c1oc(CC)cc1C ZINC000126813082 590460631 /nfs/dbraw/zinc/46/06/31/590460631.db2.gz YVTURVYKSNMERN-UHFFFAOYSA-N 0 0 226.272 2.344 10 0 BEAERN CCCC[C@@H](C)OC(=O)[C@H](C)CC(=O)OC ZINC000126826059 590462916 /nfs/dbraw/zinc/46/29/16/590462916.db2.gz ILVNKYJUOXSDNL-NXEZZACHSA-N 0 0 230.304 2.308 10 0 BEAERN CCCCOCC(=O)OC1(C)CCC1 ZINC000126857017 590475296 /nfs/dbraw/zinc/47/52/96/590475296.db2.gz HCZMEIQMKPJITR-UHFFFAOYSA-N 0 0 200.278 2.289 10 0 BEAERN CCCC[C@@H](C)OC(=O)CCc1ccnn1C ZINC000126955499 590515159 /nfs/dbraw/zinc/51/51/59/590515159.db2.gz NBUBUUQYLNNGGA-LLVKDONJSA-N 0 0 238.331 2.475 10 0 BEAERN CC(C)CC(=O)NCCC(=O)OC1(C)CCC1 ZINC000126966747 590525121 /nfs/dbraw/zinc/52/51/21/590525121.db2.gz KGHIWCTVZMXBRP-UHFFFAOYSA-N 0 0 241.331 2.025 10 0 BEAERN C[C@H](NC(=O)C(C)(C)C)C(=O)OC1(C)CCC1 ZINC000127025715 590534512 /nfs/dbraw/zinc/53/45/12/590534512.db2.gz WNDVTVLEKTXVKK-VIFPVBQESA-N 0 0 241.331 2.023 10 0 BEAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)nc2)O1 ZINC000127135001 590574249 /nfs/dbraw/zinc/57/42/49/590574249.db2.gz QYRJWRCZFJSHNE-CBAPKCEASA-N 0 0 240.690 2.241 10 0 BEAERN CC[C@H](C)C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000127154413 590578196 /nfs/dbraw/zinc/57/81/96/590578196.db2.gz MPQXZZHWUNUEDV-ZRUFSTJUSA-N 0 0 226.316 2.389 10 0 BEAERN CC[C@@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000127325125 590622053 /nfs/dbraw/zinc/62/20/53/590622053.db2.gz GBXRVONQYPGKNV-LLVKDONJSA-N 0 0 210.321 2.324 10 0 BEAERN CC(C)[C@H](C)OC(=O)c1ccc2c(c1)nnn2C ZINC000127375010 590634582 /nfs/dbraw/zinc/63/45/82/590634582.db2.gz AJBAQYOPGRGNKJ-VIFPVBQESA-N 0 0 247.298 2.170 10 0 BEAERN CC(C)NC(=O)CCCC(=O)O[C@@H](C)C(C)C ZINC000127471564 590678318 /nfs/dbraw/zinc/67/83/18/590678318.db2.gz XEIMIJPYTUHJMK-NSHDSACASA-N 0 0 243.347 2.269 10 0 BEAERN Cc1noc(C)c1C(=O)O[C@@H](C)C(C)C ZINC000127509937 590695584 /nfs/dbraw/zinc/69/55/84/590695584.db2.gz SERXERQZQWVAKY-QMMMGPOBSA-N 0 0 211.261 2.493 10 0 BEAERN C[C@H]1CC(=O)CC[C@H]1C(=O)OCC(F)(F)F ZINC000127537323 590700957 /nfs/dbraw/zinc/70/09/57/590700957.db2.gz PLNVXEFOJUWYSK-POYBYMJQSA-N 0 0 238.205 2.097 10 0 BEAERN CC(C)[C@H](C)OC(=O)[C@H]1CCCOC1 ZINC000127622831 590725970 /nfs/dbraw/zinc/72/59/70/590725970.db2.gz XZCXNFBTWTYKGA-UWVGGRQHSA-N 0 0 200.278 2.001 10 0 BEAERN C[C@H](OC(=O)[C@H]1CC1(C)C)[C@@H]1CCOC1 ZINC000127698710 590755417 /nfs/dbraw/zinc/75/54/17/590755417.db2.gz YWBRFXNULULQLY-IVZWLZJFSA-N 0 0 212.289 2.001 10 0 BEAERN C[C@H](OC(=O)C(C1CC1)C1CC1)[C@@H]1CCOC1 ZINC000127697848 590755525 /nfs/dbraw/zinc/75/55/25/590755525.db2.gz LQYKXYQYYYQNKO-JOYOIKCWSA-N 0 0 238.327 2.391 10 0 BEAERN C[C@@H](OC(=O)[C@H]1CC1(C)C)C1CCOCC1 ZINC000127789329 590777498 /nfs/dbraw/zinc/77/74/98/590777498.db2.gz MWKNETYBJHKXHG-MWLCHTKSSA-N 0 0 226.316 2.391 10 0 BEAERN CSCC[C@@H](C)NC(=O)OC(C)C ZINC000127803069 590787402 /nfs/dbraw/zinc/78/74/02/590787402.db2.gz CXXBTUFAAARGJK-MRVPVSSYSA-N 0 0 205.323 2.263 10 0 BEAERN CCCNC(=S)N1C[C@H](C)CC[C@H]1C ZINC000127948672 590849476 /nfs/dbraw/zinc/84/94/76/590849476.db2.gz VZSXXYNLHZIFBX-NXEZZACHSA-N 0 0 214.378 2.391 10 0 BEAERN COC[C@H](C)NC(=S)N1C[C@H](C)CC[C@H]1C ZINC000127945845 590849508 /nfs/dbraw/zinc/84/95/08/590849508.db2.gz MXPPWEQMIRTECY-OUAUKWLOSA-N 0 0 244.404 2.016 10 0 BEAERN C=COCCOC(=O)c1sccc1C ZINC000128378139 591013424 /nfs/dbraw/zinc/01/34/24/591013424.db2.gz UJBIHZCOIJGGTG-UHFFFAOYSA-N 0 0 212.270 2.373 10 0 BEAERN C=COCCOC(=O)c1ccc(F)c(C)c1 ZINC000128398679 591018034 /nfs/dbraw/zinc/01/80/34/591018034.db2.gz HWZAHTUDTYOYOK-UHFFFAOYSA-N 0 0 224.231 2.451 10 0 BEAERN C=COCCOC(=O)c1cccc(C)c1 ZINC000128402451 591030924 /nfs/dbraw/zinc/03/09/24/591030924.db2.gz NCEHOQMRVISQRN-UHFFFAOYSA-N 0 0 206.241 2.312 10 0 BEAERN Cc1cc(F)ccc1OC[C@H](O)C1CC1 ZINC000129289560 591275680 /nfs/dbraw/zinc/27/56/80/591275680.db2.gz BMKKAUWHUXFYOJ-NSHDSACASA-N 0 0 210.248 2.284 10 0 BEAERN CC=CC=CC(=O)Nc1cc(CC)[nH]n1 ZINC000129310419 591276654 /nfs/dbraw/zinc/27/66/54/591276654.db2.gz QONFCVKUPMYXEX-TWTPFVCWSA-N 0 0 205.261 2.043 10 0 BEAERN O=C(CC[C@@H]1CCOC1)OCc1cncs1 ZINC000130078079 591434370 /nfs/dbraw/zinc/43/43/70/591434370.db2.gz KSAQWKHSABRLHY-SECBINFHSA-N 0 0 241.312 2.003 10 0 BEAERN CO[C@H](c1noc([C@@H](N)CC(C)C)n1)C1CC1 ZINC000130209505 591449384 /nfs/dbraw/zinc/44/93/84/591449384.db2.gz MPYFMEDVWXKTEC-UWVGGRQHSA-N 0 0 239.319 2.213 10 0 BEAERN C[C@H]1CN(C(=O)c2cc3occc3[nH]2)C[C@H](C)O1 ZINC000130531502 591480185 /nfs/dbraw/zinc/48/01/85/591480185.db2.gz RKNVBICJERLUOB-IUCAKERBSA-N 0 0 248.282 2.010 10 0 BEAERN CC(C)(C)CC(=O)OCCN1CCSCC1 ZINC000131148247 591559463 /nfs/dbraw/zinc/55/94/63/591559463.db2.gz DFQJIWBSYNSEQS-UHFFFAOYSA-N 0 0 245.388 2.015 10 0 BEAERN COC[C@H](C)CNc1ccc(OC)cc1OC ZINC000131670433 591636861 /nfs/dbraw/zinc/63/68/61/591636861.db2.gz AXAJIPORRAGDJA-SNVBAGLBSA-N 0 0 239.315 2.398 10 0 BEAERN COC[C@@H](OC(=O)/C=C/c1ccco1)C1CC1 ZINC000131773816 591654677 /nfs/dbraw/zinc/65/46/77/591654677.db2.gz PJRSBKUJMWDQJH-NNNHXZLVSA-N 0 0 236.267 2.261 10 0 BEAERN CC/C=C(/C)C(=O)O[C@H](COC)C1CC1 ZINC000132089521 591688136 /nfs/dbraw/zinc/68/81/36/591688136.db2.gz GCXPSIGXYPKYTK-YOOZJCNJSA-N 0 0 212.289 2.311 10 0 BEAERN COC[C@H](OC(=O)CCCCSC)C1CC1 ZINC000132330756 591701890 /nfs/dbraw/zinc/70/18/90/591701890.db2.gz OZOBIZRMLKYIOI-NSHDSACASA-N 0 0 246.372 2.488 10 0 BEAERN Cc1cncc(C(=O)O[C@@H](C)C2CCOCC2)c1 ZINC000132722556 591733874 /nfs/dbraw/zinc/73/38/74/591733874.db2.gz QZMOUPZPUPUQOQ-NSHDSACASA-N 0 0 249.310 2.362 10 0 BEAERN COC(=O)/C=C1/CCc2ccc(OC)cc2C1 ZINC000133308561 591785426 /nfs/dbraw/zinc/78/54/26/591785426.db2.gz CTPMBNLKYAYWHZ-NTMALXAHSA-N 0 0 232.279 2.283 10 0 BEAERN C[C@H](O)c1ccn(Cc2ccc(F)cc2)n1 ZINC000133731226 591851778 /nfs/dbraw/zinc/85/17/78/591851778.db2.gz PLVKKZLOTXGEDL-VIFPVBQESA-N 0 0 220.247 2.124 10 0 BEAERN Cc1ccccc1Cn1ccc([C@H](C)O)n1 ZINC000133757474 591853339 /nfs/dbraw/zinc/85/33/39/591853339.db2.gz QKIDJLIJAWQHQF-NSHDSACASA-N 0 0 216.284 2.293 10 0 BEAERN Cc1cccc(Cn2ccc([C@@H](C)O)n2)c1 ZINC000133792813 591857633 /nfs/dbraw/zinc/85/76/33/591857633.db2.gz RNBFZVWPTHWXJG-LLVKDONJSA-N 0 0 216.284 2.293 10 0 BEAERN C[C@@H](O)c1ccn(CCOc2ccccc2)n1 ZINC000133805616 591860389 /nfs/dbraw/zinc/86/03/89/591860389.db2.gz YVTPKAAHJOSZIN-LLVKDONJSA-N 0 0 232.283 2.015 10 0 BEAERN Nc1cccnc1C(=O)OCC1CCCC1 ZINC000133948419 591870186 /nfs/dbraw/zinc/87/01/86/591870186.db2.gz UEJUIBVBMNOTGS-UHFFFAOYSA-N 0 0 220.272 2.011 10 0 BEAERN Cc1c[nH]nc1NC(=O)Cc1ccccc1F ZINC000134682696 591946464 /nfs/dbraw/zinc/94/64/64/591946464.db2.gz AFACQVRJPYYFQE-UHFFFAOYSA-N 0 0 233.246 2.038 10 0 BEAERN Cc1c[nH]nc1NC(=O)CC[C@@H]1CCCCO1 ZINC000134675198 591946878 /nfs/dbraw/zinc/94/68/78/591946878.db2.gz ZDGMFDKSIHPAKU-JTQLQIEISA-N 0 0 237.303 2.006 10 0 BEAERN C[C@@H](C(=O)Nc1ccc(F)nc1)c1cccnc1 ZINC000135021926 591973671 /nfs/dbraw/zinc/97/36/71/591973671.db2.gz AGDWSSKEIPUEQW-SECBINFHSA-N 0 0 245.257 2.358 10 0 BEAERN C[C@@H](O)c1cccc(OCC2(C)COC2)c1 ZINC000215961174 592000943 /nfs/dbraw/zinc/00/09/43/592000943.db2.gz QTTFCHKMCHZZTP-SNVBAGLBSA-N 0 0 222.284 2.155 10 0 BEAERN CC[C@@H]1CN(C[C@@H](O)c2ccccc2C)CCO1 ZINC000216923526 592091044 /nfs/dbraw/zinc/09/10/44/592091044.db2.gz KUYBMQBTXVRZDB-UKRRQHHQSA-N 0 0 249.354 2.139 10 0 BEAERN CC(C)n1cccc1C(=O)OCC(=O)C1CC1 ZINC000136217432 592102574 /nfs/dbraw/zinc/10/25/74/592102574.db2.gz ALMFZVDQSQLWLS-UHFFFAOYSA-N 0 0 235.283 2.205 10 0 BEAERN COc1ccc(C(=O)O[C@H](C)C(C)C)c(N)c1 ZINC000136699599 592149524 /nfs/dbraw/zinc/14/95/24/592149524.db2.gz ZKZXOSFMSNGFHK-SECBINFHSA-N 0 0 237.299 2.479 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](C)C1 ZINC000300622004 592516105 /nfs/dbraw/zinc/51/61/05/592516105.db2.gz YRFCLSYSMYUHHP-BJDJZHNGSA-N 0 0 225.332 2.106 10 0 BEAERN CN[C@H](C)c1nc(CCC(C)(C)C)no1 ZINC000300777758 592519888 /nfs/dbraw/zinc/51/98/88/592519888.db2.gz ATZIHQIOXRCXIM-MRVPVSSYSA-N 0 0 211.309 2.329 10 0 BEAERN CCc1c(N)n[nH]c1[C@H]1CCC(F)(F)C1 ZINC000301041416 592526788 /nfs/dbraw/zinc/52/67/88/592526788.db2.gz ZJNNFMPDQXAFBN-LURJTMIESA-N 0 0 215.247 2.457 10 0 BEAERN C[C@@H]([NH2+]Cc1sccc1Cl)[C@H](C)O ZINC000336659685 635199271 /nfs/dbraw/zinc/19/92/71/635199271.db2.gz TYUISOZZOSWSMZ-RQJHMYQMSA-N 0 0 219.737 2.260 10 0 BEAERN Cc1nc(N)c2cccc(Br)c2n1 ZINC000095835816 634604610 /nfs/dbraw/zinc/60/46/10/634604610.db2.gz BQGYLPYMEUWYIQ-UHFFFAOYSA-N 0 0 238.088 2.283 10 0 BEAERN C[C@@H](O)[C@@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000336764717 635284888 /nfs/dbraw/zinc/28/48/88/635284888.db2.gz QEGBYLPOCLBBNE-RFZPGFLSSA-N 0 0 240.250 2.343 10 0 BEAERN C[C@@H](Nc1ncc(C(F)(F)F)s1)[C@H](C)O ZINC000336764718 635285345 /nfs/dbraw/zinc/28/53/45/635285345.db2.gz QEGBYLPOCLBBNE-UHNVWZDZSA-N 0 0 240.250 2.343 10 0 BEAERN C[C@@H](O)[C@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000336778832 635289005 /nfs/dbraw/zinc/28/90/05/635289005.db2.gz MMKZSOFGAOCLMV-NKWVEPMBSA-N 0 0 234.221 2.282 10 0 BEAERN CC[C@@H]1COCCN1CCC(=O)C(C)(C)C ZINC000054026481 635327487 /nfs/dbraw/zinc/32/74/87/635327487.db2.gz OYNKFPNQLKRRNS-LLVKDONJSA-N 0 0 227.348 2.103 10 0 BEAERN CC1(C)COc2ccc(-c3cnc(N)cn3)cc21 ZINC000228530112 635461623 /nfs/dbraw/zinc/46/16/23/635461623.db2.gz UMFWDDDRWAXAFB-UHFFFAOYSA-N 0 0 241.294 2.396 10 0 BEAERN CCCC[C@H](CC)COC(=O)[C@@H](C)NC(C)=O ZINC000126061865 635479728 /nfs/dbraw/zinc/47/97/28/635479728.db2.gz XDJQDUAUBASPKK-PWSUYJOCSA-N 0 0 243.347 2.271 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)cc1O ZINC000234154038 635549706 /nfs/dbraw/zinc/54/97/06/635549706.db2.gz FUJLOMPQQUKFOM-ZWNOBZJWSA-N 0 0 249.310 2.454 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000234159480 635550103 /nfs/dbraw/zinc/55/01/03/635550103.db2.gz HFCVBOVHLAKJDV-VXGBXAGGSA-N 0 0 235.283 2.146 10 0 BEAERN CS[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)C1 ZINC000235160000 635568437 /nfs/dbraw/zinc/56/84/37/635568437.db2.gz PUFWZUCHSMPXSY-NXEZZACHSA-N 0 0 239.344 2.115 10 0 BEAERN CCC(CC)OCn1nc(C)c(N)c1C ZINC000379869685 631250156 /nfs/dbraw/zinc/25/01/56/631250156.db2.gz PYVGCFXEACWGPO-UHFFFAOYSA-N 0 0 211.309 2.245 10 0 BEAERN CSCCOC(=O)[C@H]1CCC[C@@H]1C ZINC000308313501 631275573 /nfs/dbraw/zinc/27/55/73/631275573.db2.gz UMEKDBSXQASLCC-IUCAKERBSA-N 0 0 202.319 2.329 10 0 BEAERN C[C@H](O)c1cccc(OCCc2cnn(C)c2)c1 ZINC000085267742 631458563 /nfs/dbraw/zinc/45/85/63/631458563.db2.gz ASJZSKHAPDUTLN-NSHDSACASA-N 0 0 246.310 2.095 10 0 BEAERN O=C(OCCc1cccnc1)[C@@H]1C[C@H]1C1CC1 ZINC000176132307 631536326 /nfs/dbraw/zinc/53/63/26/631536326.db2.gz ZUMCMOGTDMQXSQ-QWHCGFSZSA-N 0 0 231.295 2.213 10 0 BEAERN CC(C)(C)c1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000067173304 635682071 /nfs/dbraw/zinc/68/20/71/635682071.db2.gz OWZWOCHGCLWKHN-RYUDHWBXSA-N 0 0 247.338 2.372 10 0 BEAERN C[C@H](COc1ccccc1)OC(=O)C1CC1 ZINC000121716661 631724203 /nfs/dbraw/zinc/72/42/03/631724203.db2.gz ALDIMOBJGAWXOA-SNVBAGLBSA-N 0 0 220.268 2.407 10 0 BEAERN C/C=C/C(=O)Nc1cccc(C(=O)OC)c1C ZINC000106182885 631747751 /nfs/dbraw/zinc/74/77/51/631747751.db2.gz UKSDPAVXLKRYSD-GQCTYLIASA-N 0 0 233.267 2.296 10 0 BEAERN CCN[C@@H](C)c1nc(CC2CCC2)no1 ZINC000308850367 631921431 /nfs/dbraw/zinc/92/14/31/631921431.db2.gz GUYMMNVIFWLIFY-QMMMGPOBSA-N 0 0 209.293 2.083 10 0 BEAERN Cc1ccc(CC(=O)OC[C@@H]2CCOC2)s1 ZINC000128013594 631927952 /nfs/dbraw/zinc/92/79/52/631927952.db2.gz HNBMYJURWMDACJ-SNVBAGLBSA-N 0 0 240.324 2.179 10 0 BEAERN CO[C@H](C)[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000252732441 635713185 /nfs/dbraw/zinc/71/31/85/635713185.db2.gz VCBQMKGQLQOPPD-FOGDFJRCSA-N 0 0 221.300 2.133 10 0 BEAERN CCC[C@@H](C)C[N@H+](CCC(=O)[O-])C1CC1 ZINC000051322571 632504320 /nfs/dbraw/zinc/50/43/20/632504320.db2.gz BQLCNBLBKGCQGO-SNVBAGLBSA-N 0 0 213.321 2.362 10 0 BEAERN Cc1cccc(NC(=O)C[C@@H](O)C(C)C)c1O ZINC000179773573 632759544 /nfs/dbraw/zinc/75/95/44/632759544.db2.gz NUPQALLKPYYITO-LLVKDONJSA-N 0 0 237.299 2.046 10 0 BEAERN CC(C)(C)Cc1noc([C@H](N)CC(F)F)n1 ZINC000309211885 632815674 /nfs/dbraw/zinc/81/56/74/632815674.db2.gz SPDLEALGTAKCIH-ZCFIWIBFSA-N 0 0 233.262 2.313 10 0 BEAERN Cc1c(N)n[nH]c1-c1cc(C)ccc1F ZINC000052983591 632956285 /nfs/dbraw/zinc/95/62/85/632956285.db2.gz NNSGPIGRTHAODY-UHFFFAOYSA-N 0 0 205.236 2.415 10 0 BEAERN c1cc2c([nH]1)CCC[C@@H]2NCc1csnn1 ZINC000309414628 633037710 /nfs/dbraw/zinc/03/77/10/633037710.db2.gz YMMURMFKSLHPMK-NSHDSACASA-N 0 0 234.328 2.033 10 0 BEAERN CO[C@@H](C)C(=O)OC1CCCCCC1 ZINC000126629321 635881453 /nfs/dbraw/zinc/88/14/53/635881453.db2.gz BLNUCRNRRXYKLD-VIFPVBQESA-N 0 0 200.278 2.287 10 0 BEAERN COC(=O)C1CCC(C(=O)OC2CCC2)CC1 ZINC000181163954 633073322 /nfs/dbraw/zinc/07/33/22/633073322.db2.gz ZJUAWAHTHUOMQG-UHFFFAOYSA-N 0 0 240.299 2.062 10 0 BEAERN CC(C)(C)SCC(=O)N1CCSCC1 ZINC000122236350 633126891 /nfs/dbraw/zinc/12/68/91/633126891.db2.gz NPQWKONOWKQBPF-UHFFFAOYSA-N 0 0 233.402 2.094 10 0 BEAERN CC1(C)CCC[C@H]1CNC(=O)n1ccnc1 ZINC000306744812 635974459 /nfs/dbraw/zinc/97/44/59/635974459.db2.gz YWDVFOZUBVDNEV-JTQLQIEISA-N 0 0 221.304 2.267 10 0 BEAERN CC(=O)Nc1ccc(C(=O)OC[C@@H]2C[C@@H]2C)cc1 ZINC000049055714 636006735 /nfs/dbraw/zinc/00/67/35/636006735.db2.gz DTDUCQMWYPXEIK-CABZTGNLSA-N 0 0 247.294 2.458 10 0 BEAERN O=C(NCC1CCCCCC1)n1ccnc1 ZINC000307029869 635981173 /nfs/dbraw/zinc/98/11/73/635981173.db2.gz CXBVGDYAFMUHDM-UHFFFAOYSA-N 0 0 221.304 2.411 10 0 BEAERN CC(C)CCOCCOC(=O)c1cccnc1 ZINC000122380391 633736273 /nfs/dbraw/zinc/73/62/73/633736273.db2.gz IBIBOJRAPCGQSY-UHFFFAOYSA-N 0 0 237.299 2.301 10 0 BEAERN C[C@H](O)c1ccc(OCc2ccno2)cc1 ZINC000035626265 633834811 /nfs/dbraw/zinc/83/48/11/633834811.db2.gz MACJCNVRABGDES-VIFPVBQESA-N 0 0 219.240 2.307 10 0 BEAERN C[C@H](O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000035627769 633837421 /nfs/dbraw/zinc/83/74/21/633837421.db2.gz NZPSWURTVLSYJH-GXFFZTMASA-N 0 0 222.284 2.298 10 0 BEAERN O=C([O-])C[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000309319478 633895798 /nfs/dbraw/zinc/89/57/98/633895798.db2.gz AAPWSBCAMCURHH-JYBNPQIESA-N 0 0 231.723 2.316 10 0 BEAERN C[C@@H](OC(=O)COC(C)(C)C)C1CCOCC1 ZINC000182163331 633937126 /nfs/dbraw/zinc/93/71/26/633937126.db2.gz KGEHPNQTCDVCDQ-SNVBAGLBSA-N 0 0 244.331 2.160 10 0 BEAERN Cc1cccc([C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000257362672 634059886 /nfs/dbraw/zinc/05/98/86/634059886.db2.gz FBCDCRQPNJSWDU-KCQAQPDRSA-N 0 0 249.354 2.138 10 0 BEAERN CCOC[C@H](C)OC(=O)/C=C/c1ncccc1C ZINC000190756422 634193467 /nfs/dbraw/zinc/19/34/67/634193467.db2.gz FOLSCVPRWQVMPG-GUOLPTJISA-N 0 0 249.310 2.371 10 0 BEAERN CCOC[C@H](C)OC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000190757595 634194226 /nfs/dbraw/zinc/19/42/26/634194226.db2.gz URMMPTZXSILJGJ-SRVKXCTJSA-N 0 0 244.331 2.302 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OC1(C2CC2)CC1 ZINC000192240509 634225772 /nfs/dbraw/zinc/22/57/72/634225772.db2.gz NJBJNWYWMGNBOH-GXSJLCMTSA-N 0 0 224.300 2.287 10 0 BEAERN COC[C@@H](C)C(=O)OCC(Cl)(Cl)Cl ZINC000184611199 635136080 /nfs/dbraw/zinc/13/60/80/635136080.db2.gz MGYBRSHKPHIUQP-RXMQYKEDSA-N 0 0 249.521 2.182 10 0 BEAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)[C@H](C)O ZINC000336778339 635289276 /nfs/dbraw/zinc/28/92/76/635289276.db2.gz LBZDITPHTLPWPR-RQJHMYQMSA-N 0 0 234.221 2.282 10 0 BEAERN CC[C@H]1COCCN1CCC(=O)C(C)(C)C ZINC000054026483 635328731 /nfs/dbraw/zinc/32/87/31/635328731.db2.gz OYNKFPNQLKRRNS-NSHDSACASA-N 0 0 227.348 2.103 10 0 BEAERN Cc1nc(C)n(-c2ccc(Cl)cc2C=O)n1 ZINC000163057319 635345889 /nfs/dbraw/zinc/34/58/89/635345889.db2.gz WZKBDMZYFQJIIW-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN Cc1cc(C(=O)NC[C@@H](O)C(C)(C)C)cs1 ZINC000324441690 635488534 /nfs/dbraw/zinc/48/85/34/635488534.db2.gz SREDSMHNXGOOJN-SNVBAGLBSA-N 0 0 241.356 2.193 10 0 BEAERN COC1CC(NC(=O)c2ccc(F)c(C)c2)C1 ZINC000230629968 635489534 /nfs/dbraw/zinc/48/95/34/635489534.db2.gz XVVJPZQENDVHRW-UHFFFAOYSA-N 0 0 237.274 2.041 10 0 BEAERN C[C@@H](Nc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@H]1C ZINC000321369540 636641465 /nfs/dbraw/zinc/64/14/65/636641465.db2.gz DWMBESZQBJTGOA-GIPNMCIBSA-N 0 0 248.326 2.007 10 0 BEAERN C[C@@H](O)c1cccc(OCCc2cnn(C)c2)c1 ZINC000085267744 636877325 /nfs/dbraw/zinc/87/73/25/636877325.db2.gz ASJZSKHAPDUTLN-LLVKDONJSA-N 0 0 246.310 2.095 10 0 BEAERN C[C@@H](NC(=O)[C@H]1CCCCC1(C)C)[C@H](C)O ZINC000346370907 637093012 /nfs/dbraw/zinc/09/30/12/637093012.db2.gz GCYLAEYUZPNLGG-OUAUKWLOSA-N 0 0 227.348 2.088 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)O)c(Cl)c1 ZINC000346400562 637105973 /nfs/dbraw/zinc/10/59/73/637105973.db2.gz LFZOJWJALSIESY-DTWKUNHWSA-N 0 0 241.718 2.148 10 0 BEAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc2sccc2c1 ZINC000346431107 637126840 /nfs/dbraw/zinc/12/68/40/637126840.db2.gz ZRAYSXCZRRUFLF-RKDXNWHRSA-N 0 0 249.335 2.400 10 0 BEAERN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)O)cc1Cl ZINC000346467249 637145348 /nfs/dbraw/zinc/14/53/48/637145348.db2.gz PMCSJHGAJKDYMK-IUCAKERBSA-N 0 0 241.718 2.148 10 0 BEAERN CCc1sc(C(=O)N[C@@H](C)[C@H](C)O)cc1C ZINC000346466626 637145661 /nfs/dbraw/zinc/14/56/61/637145661.db2.gz JCAGLXZGSJTMIW-IUCAKERBSA-N 0 0 241.356 2.118 10 0 BEAERN C[C@@H](O)[C@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000348138636 638492826 /nfs/dbraw/zinc/49/28/26/638492826.db2.gz IYQKYYLIOWVSEF-JGVFFNPUSA-N 0 0 242.706 2.231 10 0 BEAERN CC(C)C[C@@H](N=C=O)C(=O)OC(C)(C)C ZINC000149554309 638614943 /nfs/dbraw/zinc/61/49/43/638614943.db2.gz ZZJDVMQAALAVJJ-SECBINFHSA-N 0 0 213.277 2.079 10 0 BEAERN C[NH2+][C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000150189296 639407820 /nfs/dbraw/zinc/40/78/20/639407820.db2.gz XRBFRWVSTGFFCB-CYBMUJFWSA-N 0 0 229.279 2.055 10 0 BEAERN CC[C@@H]1CN(C[C@H](O)c2ccccc2C)CCO1 ZINC000044132596 639668114 /nfs/dbraw/zinc/66/81/14/639668114.db2.gz KUYBMQBTXVRZDB-HIFRSBDPSA-N 0 0 249.354 2.139 10 0 BEAERN COC(=O)CCCOc1cccc([C@@H](C)O)c1 ZINC000035627511 639765827 /nfs/dbraw/zinc/76/58/27/639765827.db2.gz HXIAUTNJSDNHLA-SNVBAGLBSA-N 0 0 238.283 2.072 10 0 BEAERN C[C@@H](NC(=O)c1ccc2c(c1)CCN2)C1CC1 ZINC000035733687 639879509 /nfs/dbraw/zinc/87/95/09/639879509.db2.gz GUTLRGHUZCLPJV-SECBINFHSA-N 0 0 230.311 2.183 10 0 BEAERN CCCc1nc(-c2cccc(N)c2)n(C)n1 ZINC000054697480 640302934 /nfs/dbraw/zinc/30/29/34/640302934.db2.gz OPVYIWTYRDHQRE-UHFFFAOYSA-N 0 0 216.288 2.017 10 0 BEAERN CCCc1nc(-c2ccccc2N)n(C)n1 ZINC000054697518 640304107 /nfs/dbraw/zinc/30/41/07/640304107.db2.gz RMWWVLCWZCUSOA-UHFFFAOYSA-N 0 0 216.288 2.017 10 0 BEAERN CCCSCC(=O)O[C@H](C)C1CCOCC1 ZINC000151476866 640390985 /nfs/dbraw/zinc/39/09/85/640390985.db2.gz YDOHVGVYHCASLF-SNVBAGLBSA-N 0 0 246.372 2.488 10 0 BEAERN CO[C@@H](C)COc1cccc([C@@H](C)O)c1 ZINC000164040768 640434786 /nfs/dbraw/zinc/43/47/86/640434786.db2.gz UECOXHUZYDZRIO-VHSXEESVSA-N 0 0 210.273 2.154 10 0 BEAERN COc1ccc([C@H]2CSCC(=O)O2)cc1 ZINC000222383173 640483940 /nfs/dbraw/zinc/48/39/40/640483940.db2.gz OUOXJDFVWYNDLC-SNVBAGLBSA-N 0 0 224.281 2.026 10 0 BEAERN Cc1nc(C)n(-c2cc(C=O)ccc2C)n1 ZINC000164879599 640511693 /nfs/dbraw/zinc/51/16/93/640511693.db2.gz JQISFJQXLSCATK-UHFFFAOYSA-N 0 0 215.256 2.005 10 0 BEAERN C[C@@H]1CN(c2cncc3cccnc32)C[C@@H](C)O1 ZINC000223139069 640536971 /nfs/dbraw/zinc/53/69/71/640536971.db2.gz AWIOCEADUSBFJG-GHMZBOCLSA-N 0 0 243.310 2.243 10 0 BEAERN COCCCNc1cncc2cccnc21 ZINC000223137544 640538824 /nfs/dbraw/zinc/53/88/24/640538824.db2.gz LHWMZQSKNXMWJC-UHFFFAOYSA-N 0 0 217.272 2.078 10 0 BEAERN CCCOC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000058816903 640745967 /nfs/dbraw/zinc/74/59/67/640745967.db2.gz KFTZPEMKCKMEKQ-ZDUSSCGKSA-N 0 0 249.310 2.207 10 0 BEAERN CCCCNC(=S)N[C@@H](C)c1ncc(C)o1 ZINC000226536303 640772792 /nfs/dbraw/zinc/77/27/92/640772792.db2.gz YWTXRVUPNWXZIY-VIFPVBQESA-N 0 0 241.360 2.308 10 0 BEAERN CC[C@@H](NC(=O)C(F)(F)C(F)F)C(C)C ZINC000226616045 640779978 /nfs/dbraw/zinc/77/99/78/640779978.db2.gz ADRNBQOMCINJPS-ZCFIWIBFSA-N 0 0 229.217 2.438 10 0 BEAERN c1ccc(CN[C@@H]2CCc3cccnc32)nc1 ZINC000226799789 640795401 /nfs/dbraw/zinc/79/54/01/640795401.db2.gz USGMZLIXKZBZEP-CYBMUJFWSA-N 0 0 225.295 2.254 10 0 BEAERN C#CCNC(=O)Nc1ccnn1C1CCCCC1 ZINC000059268994 640802145 /nfs/dbraw/zinc/80/21/45/640802145.db2.gz VJFPTSFJGKEMNP-UHFFFAOYSA-N 0 0 246.314 2.143 10 0 BEAERN OCC[C@@H]1CCN(C/C(Cl)=C\Cl)C1 ZINC000228224792 640866817 /nfs/dbraw/zinc/86/68/17/640866817.db2.gz YBQATYAFJXAOJL-MOIHINDBSA-N 0 0 224.131 2.010 10 0 BEAERN C[C@H]1C[C@H]1NC(=O)COc1ccc2c(c1)CCC2 ZINC000171068861 640953750 /nfs/dbraw/zinc/95/37/50/640953750.db2.gz VLDXVSYLEDEMGY-IINYFYTJSA-N 0 0 245.322 2.079 10 0 BEAERN CN(c1cncc(F)c1C=O)C1CCC1 ZINC000675064184 640961639 /nfs/dbraw/zinc/96/16/39/640961639.db2.gz WYTSOFAMZUDIJC-UHFFFAOYSA-N 0 0 208.236 2.022 10 0 BEAERN O=C(/C=C\c1ccccc1)N[C@@H]1CCC[C@@H](O)C1 ZINC000229688607 640972156 /nfs/dbraw/zinc/97/21/56/640972156.db2.gz RUHIUAIOEDUVCW-YWOVDUEISA-N 0 0 245.322 2.120 10 0 BEAERN Cc1nn(-c2ccc(C=O)cn2)c(C)c1Cl ZINC000087718037 640990713 /nfs/dbraw/zinc/99/07/13/640990713.db2.gz AOQDBWOXLRMDNY-UHFFFAOYSA-N 0 0 235.674 2.350 10 0 BEAERN Cc1cccc2c1CCN(C(=O)N[C@H]1C[C@H]1C)C2 ZINC000171595232 640993146 /nfs/dbraw/zinc/99/31/46/640993146.db2.gz MCRVWGCRJURUOZ-RISCZKNCSA-N 0 0 244.338 2.471 10 0 BEAERN CON(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171735150 641008006 /nfs/dbraw/zinc/00/80/06/641008006.db2.gz ZPXBQMMGLNQTKF-BDAKNGLRSA-N 0 0 241.237 2.088 10 0 BEAERN Cc1cnc([C@H](C)NC/C=C/Cl)o1 ZINC000230647394 641076215 /nfs/dbraw/zinc/07/62/15/641076215.db2.gz SLXIUSQXRBAUQW-RTMURIBGSA-N 0 0 200.669 2.386 10 0 BEAERN COC1CC(NC(=O)c2cccc3[nH]ccc32)C1 ZINC000230658263 641083162 /nfs/dbraw/zinc/08/31/62/641083162.db2.gz ABIIZVPZWZGXEA-UHFFFAOYSA-N 0 0 244.294 2.075 10 0 BEAERN CCCN(C(=O)c1ccc(F)cc1N)C1CC1 ZINC000062822434 641095755 /nfs/dbraw/zinc/09/57/55/641095755.db2.gz VUTRJNAKXZGVTR-UHFFFAOYSA-N 0 0 236.290 2.423 10 0 BEAERN CC1(NC(=O)c2ccc(F)cc2N)CCCC1 ZINC000062823236 641096443 /nfs/dbraw/zinc/09/64/43/641096443.db2.gz JAMPHXFUEXFUCF-UHFFFAOYSA-N 0 0 236.290 2.470 10 0 BEAERN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cccnc2)C1 ZINC000062877585 641105844 /nfs/dbraw/zinc/10/58/44/641105844.db2.gz JHDISZRPFAQXBO-AWEZNQCLSA-N 0 0 248.326 2.158 10 0 BEAERN CC[C@@H](C)COC(=O)c1cc(N)ccc1OC ZINC000050427719 641144953 /nfs/dbraw/zinc/14/49/53/641144953.db2.gz XQPGHTJPUJFLPD-SECBINFHSA-N 0 0 237.299 2.480 10 0 BEAERN CCCCNC(=S)N[C@H]1C[C@@H]1CCC ZINC000231647974 641192612 /nfs/dbraw/zinc/19/26/12/641192612.db2.gz DLMIOPMJAFLWFW-UWVGGRQHSA-N 0 0 214.378 2.439 10 0 BEAERN C=C[C@H](C)OC(=O)[C@@H](OC)c1ccccc1 ZINC000187532315 641459892 /nfs/dbraw/zinc/45/98/92/641459892.db2.gz FCEKODVNGRRPOO-JQWIXIFHSA-N 0 0 220.268 2.492 10 0 BEAERN C=C[C@@H](C)OC(=O)[C@@H](OC)c1ccccc1 ZINC000187532332 641460647 /nfs/dbraw/zinc/46/06/47/641460647.db2.gz FCEKODVNGRRPOO-PWSUYJOCSA-N 0 0 220.268 2.492 10 0 BEAERN COc1ccc(N)cc1C(=O)OCC(C)C ZINC000042373360 641552650 /nfs/dbraw/zinc/55/26/50/641552650.db2.gz WJEVJNQQWCIWON-UHFFFAOYSA-N 0 0 223.272 2.090 10 0 BEAERN CC[C@H](C)OCC(=O)O[C@H](C)C1CCOCC1 ZINC000155249198 641560965 /nfs/dbraw/zinc/56/09/65/641560965.db2.gz GAMGUYWZDCUQGC-WDEREUQCSA-N 0 0 244.331 2.160 10 0 BEAERN CC(C)Cc1c(N)n(C)nc1C1CCC1 ZINC000043375657 641562512 /nfs/dbraw/zinc/56/25/12/641562512.db2.gz YOTQCDPDZMMRIE-UHFFFAOYSA-N 0 0 207.321 2.468 10 0 BEAERN Cc1cccnc1-c1noc([C@H](N)CC(C)C)n1 ZINC000043616174 641570498 /nfs/dbraw/zinc/57/04/98/641570498.db2.gz LJRHOJGVNKGIGZ-SNVBAGLBSA-N 0 0 246.314 2.486 10 0 BEAERN COC[C@@H](C)C(=O)OCCSC(F)(F)F ZINC000187564099 641706227 /nfs/dbraw/zinc/70/62/27/641706227.db2.gz PITLGEJGXAOEQS-ZCFIWIBFSA-N 0 0 246.250 2.065 10 0 BEAERN C[C@@H](Cc1ccsc1)NC(=O)n1ccnc1 ZINC000049185709 641712923 /nfs/dbraw/zinc/71/29/23/641712923.db2.gz OQTQUXFBNIWGGC-VIFPVBQESA-N 0 0 235.312 2.134 10 0 BEAERN CCc1ccc(C(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000075525180 641761018 /nfs/dbraw/zinc/76/10/18/641761018.db2.gz QOYDKLVOUVHTCW-IONNQARKSA-N 0 0 209.314 2.449 10 0 BEAERN CCCN1C[C@@H](c2ccc(N)cc2)OC1=O ZINC000075456275 641757701 /nfs/dbraw/zinc/75/77/01/641757701.db2.gz JRIUZKNEJPVVGV-NSHDSACASA-N 0 0 220.272 2.172 10 0 BEAERN Cc1cccc(CNCc2ccc(F)nc2)n1 ZINC000188997716 641781367 /nfs/dbraw/zinc/78/13/67/641781367.db2.gz IPFSTONGMKTRLJ-UHFFFAOYSA-N 0 0 231.274 2.214 10 0 BEAERN C#CCN(C(=O)[C@@H]1CCCO[C@@H]1C)C1CCCC1 ZINC000189267522 641796704 /nfs/dbraw/zinc/79/67/04/641796704.db2.gz XAPSALXXUMPOKF-TZMCWYRMSA-N 0 0 249.354 2.206 10 0 BEAERN C#CCN(C(=O)[C@@H]1CCCO[C@H]1C)C1CCCC1 ZINC000189267545 641797319 /nfs/dbraw/zinc/79/73/19/641797319.db2.gz XAPSALXXUMPOKF-GXTWGEPZSA-N 0 0 249.354 2.206 10 0 BEAERN CCNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190067909 641832354 /nfs/dbraw/zinc/83/23/54/641832354.db2.gz XOURTFBWSRDRQY-NSHDSACASA-N 0 0 234.299 2.138 10 0 BEAERN CCCCSCC(=O)NC[C@H](O)C(C)(C)C ZINC000324466966 641876023 /nfs/dbraw/zinc/87/60/23/641876023.db2.gz ZRXUHAISEADTHT-JTQLQIEISA-N 0 0 247.404 2.043 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@@H](C)C1CCOCC1 ZINC000190777373 641884919 /nfs/dbraw/zinc/88/49/19/641884919.db2.gz JCPIFUXSZIHEPJ-QWRGUYRKSA-N 0 0 244.331 2.017 10 0 BEAERN CCOC[C@H](C)OC(=O)/C=C/c1ccco1 ZINC000190756185 641885452 /nfs/dbraw/zinc/88/54/52/641885452.db2.gz YEVNCJLMGWVJBW-FGEFZZPRSA-N 0 0 224.256 2.261 10 0 BEAERN CCOC[C@H](C)OC(=O)CC1CCC1 ZINC000190789812 641887181 /nfs/dbraw/zinc/88/71/81/641887181.db2.gz SKHIMPXTJURXGR-VIFPVBQESA-N 0 0 200.278 2.145 10 0 BEAERN C[C@@H](O)c1ccn(C/C(Cl)=C\Cl)n1 ZINC000308222079 711514095 /nfs/dbraw/zinc/51/40/95/711514095.db2.gz COMRZGCNIXHIHI-LTYDNXFVSA-N 0 0 221.087 2.255 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCC1CCC1 ZINC000192109089 641963317 /nfs/dbraw/zinc/96/33/17/641963317.db2.gz QLZFYGIUBIOGDJ-GXSJLCMTSA-N 0 0 212.289 2.145 10 0 BEAERN C[C@@H]1OCCC[C@@H]1C(=O)OCC1CCC1 ZINC000192109100 641963404 /nfs/dbraw/zinc/96/34/04/641963404.db2.gz QLZFYGIUBIOGDJ-ONGXEEELSA-N 0 0 212.289 2.145 10 0 BEAERN CCC(CC)CNC(=O)[C@H]1CCO[C@@H]1CC ZINC000232875905 642063386 /nfs/dbraw/zinc/06/33/86/642063386.db2.gz NKUBXHHEOZBPNN-NWDGAFQWSA-N 0 0 227.348 2.354 10 0 BEAERN CCOCC(=O)Oc1cc(C)cc(C)c1 ZINC000121292030 642356327 /nfs/dbraw/zinc/35/63/27/642356327.db2.gz ALXVMEKFXNBBFJ-UHFFFAOYSA-N 0 0 208.257 2.245 10 0 BEAERN CCOCCn1ccc2ccc(N)cc21 ZINC000035358970 642392100 /nfs/dbraw/zinc/39/21/00/642392100.db2.gz XUIPDLOYOQDLBU-UHFFFAOYSA-N 0 0 204.273 2.260 10 0 BEAERN COC[C@@H](C)C(=O)NC/C=C\c1ccccc1 ZINC000255304226 642464067 /nfs/dbraw/zinc/46/40/67/642464067.db2.gz FUHQEDRCHRJQEQ-OJIASSBASA-N 0 0 233.311 2.099 10 0 BEAERN CCCCSCC(=O)N[C@H]1C[C@H]1C ZINC000308210755 642503755 /nfs/dbraw/zinc/50/37/55/642503755.db2.gz GJEMMANVNHUFNW-BDAKNGLRSA-N 0 0 201.335 2.044 10 0 BEAERN Cc1ccc([C@H](C)NC(=O)c2ccc(C=O)[nH]2)o1 ZINC000175143717 642654858 /nfs/dbraw/zinc/65/48/58/642654858.db2.gz NFYKDBYUDKQQDR-VIFPVBQESA-N 0 0 246.266 2.220 10 0 BEAERN CCC[C@H](C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175226047 642661976 /nfs/dbraw/zinc/66/19/76/642661976.db2.gz ACOKFFDFMWVTHW-HBNTYKKESA-N 0 0 214.305 2.391 10 0 BEAERN C[C@@H](OC(=O)c1ccsc1)[C@H]1CCOC1 ZINC000175232802 642662433 /nfs/dbraw/zinc/66/24/33/642662433.db2.gz LJWKRTHEXDQYFZ-BDAKNGLRSA-N 0 0 226.297 2.330 10 0 BEAERN C[C@@H](OC(=O)c1ccsc1)[C@@H]1CCOC1 ZINC000175232769 642662463 /nfs/dbraw/zinc/66/24/63/642662463.db2.gz LJWKRTHEXDQYFZ-RKDXNWHRSA-N 0 0 226.297 2.330 10 0 BEAERN CC(C)CCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175244192 642665742 /nfs/dbraw/zinc/66/57/42/642665742.db2.gz FVQQEUIXMDBFFW-MNOVXSKESA-N 0 0 214.305 2.391 10 0 BEAERN CCCCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175236631 642666082 /nfs/dbraw/zinc/66/60/82/642666082.db2.gz KXVRQWDJHYYZPI-VHSXEESVSA-N 0 0 200.278 2.145 10 0 BEAERN CCCc1c(N)n(C)nc1[C@@H]1CC1(C)C ZINC000233400125 642667422 /nfs/dbraw/zinc/66/74/22/642667422.db2.gz OAQTYFVFEVYECV-VIFPVBQESA-N 0 0 207.321 2.468 10 0 BEAERN CCC[C@H]1C[C@H]1Nc1cc(NC)ncn1 ZINC000233431416 642669403 /nfs/dbraw/zinc/66/94/03/642669403.db2.gz NUXQBZQNDXVBMX-DTWKUNHWSA-N 0 0 206.293 2.119 10 0 BEAERN C[C@H](OC(=O)Cc1ccsc1)[C@H]1CCOC1 ZINC000175299865 642672106 /nfs/dbraw/zinc/67/21/06/642672106.db2.gz VJGYLUBZUGLHNT-ONGXEEELSA-N 0 0 240.324 2.259 10 0 BEAERN C[C@@H](OC(=O)Cc1ccsc1)[C@@H]1CCOC1 ZINC000175299847 642672364 /nfs/dbraw/zinc/67/23/64/642672364.db2.gz VJGYLUBZUGLHNT-MWLCHTKSSA-N 0 0 240.324 2.259 10 0 BEAERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000233948344 642712401 /nfs/dbraw/zinc/71/24/01/642712401.db2.gz TVMKWUVKWZIZDM-RYUDHWBXSA-N 0 0 235.283 2.146 10 0 BEAERN C[C@@H](OC(=O)C(C)(Cl)Cl)[C@H]1CCOC1 ZINC000180072453 642769524 /nfs/dbraw/zinc/76/95/24/642769524.db2.gz FGGUFUIVCQRIAJ-RQJHMYQMSA-N 0 0 241.114 2.148 10 0 BEAERN C[C@H](OC(=O)C(C)(Cl)Cl)[C@H]1CCOC1 ZINC000180072436 642770310 /nfs/dbraw/zinc/77/03/10/642770310.db2.gz FGGUFUIVCQRIAJ-BQBZGAKWSA-N 0 0 241.114 2.148 10 0 BEAERN CC(C)(C)c1ccc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])cc1 ZINC000069272602 642844875 /nfs/dbraw/zinc/84/48/75/642844875.db2.gz AZPUDOGXSXHPQA-CHWSQXEVSA-N 0 0 247.338 2.372 10 0 BEAERN Cc1ccc(CNC(=O)N[C@H]2C[C@@H]2C)cc1F ZINC000075958884 642878782 /nfs/dbraw/zinc/87/87/82/642878782.db2.gz TULSPBVADROEHY-CABZTGNLSA-N 0 0 236.290 2.342 10 0 BEAERN Cc1cc(C)cc([C@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991895 642933600 /nfs/dbraw/zinc/93/36/00/642933600.db2.gz HCZBPUVNGFFTIP-OLZOCXBDSA-N 0 0 233.311 2.033 10 0 BEAERN COC(=O)COC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000182050811 642945946 /nfs/dbraw/zinc/94/59/46/642945946.db2.gz BLKAMNSJCKKBIL-NXEZZACHSA-N 0 0 242.315 2.165 10 0 BEAERN CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)[O-] ZINC000084901957 643122918 /nfs/dbraw/zinc/12/29/18/643122918.db2.gz NTAUMAQZOJSLLN-MXWKQRLJSA-N 0 0 213.321 2.264 10 0 BEAERN CCc1ccccc1OC(=O)[C@H](C)OC ZINC000120230959 643131488 /nfs/dbraw/zinc/13/14/88/643131488.db2.gz PYIPBNJUXWFTHW-VIFPVBQESA-N 0 0 208.257 2.189 10 0 BEAERN C[C@H](O)c1cccc(OC[C@@H]2CCOC2)c1 ZINC000049689128 643184810 /nfs/dbraw/zinc/18/48/10/643184810.db2.gz UIJWJSUWOWFAKN-WDEREUQCSA-N 0 0 222.284 2.155 10 0 BEAERN CCc1cnc(NCC2(C)COC2)s1 ZINC000306634073 643204169 /nfs/dbraw/zinc/20/41/69/643204169.db2.gz ULVYZJFFZBKBBW-UHFFFAOYSA-N 0 0 212.318 2.154 10 0 BEAERN CC[C@@H](C)C(=O)c1ncc(C2OCCO2)s1 ZINC000757122017 643239208 /nfs/dbraw/zinc/23/92/08/643239208.db2.gz DIYKIHSRXWTYHM-SSDOTTSWSA-N 0 0 241.312 2.417 10 0 BEAERN CO[C@@H](C)C(=O)Oc1ccc2c(c1)CCC2 ZINC000127106412 643245153 /nfs/dbraw/zinc/24/51/53/643245153.db2.gz SYXCMTPPLIBXPJ-VIFPVBQESA-N 0 0 220.268 2.116 10 0 BEAERN CC[C@@H](C)[C@@H](O)c1nc(C)c(C(=O)OC)s1 ZINC000757132919 643258662 /nfs/dbraw/zinc/25/86/62/643258662.db2.gz VHPHXEKCUIARHN-HTRCEHHLSA-N 0 0 243.328 2.318 10 0 BEAERN Cc1cc(CC(C)(CO)CO)ccc1Cl ZINC000757147286 643327856 /nfs/dbraw/zinc/32/78/56/643327856.db2.gz TYOCRLKXHSWCRY-UHFFFAOYSA-N 0 0 228.719 2.182 10 0 BEAERN CC[C@@H](C)c1noc([C@@H](N)CCSC)n1 ZINC000082561152 643343188 /nfs/dbraw/zinc/34/31/88/643343188.db2.gz LOMOFQYNWIJRRD-SFYZADRCSA-N 0 0 229.349 2.336 10 0 BEAERN CC1CCC2(CC1)NCC(F)(F)CO2 ZINC000757151754 643343423 /nfs/dbraw/zinc/34/34/23/643343423.db2.gz RJYMCTCOBPGPOZ-UHFFFAOYSA-N 0 0 205.248 2.148 10 0 BEAERN CCOC(=O)[C@@]1(F)CCC[C@@H](CC)C1=O ZINC000757183938 643359171 /nfs/dbraw/zinc/35/91/71/643359171.db2.gz TYVCELXBPJSRLJ-LDYMZIIASA-N 0 0 216.252 2.037 10 0 BEAERN C[N@@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C3CC3)cc2)C1 ZINC000757192537 643366152 /nfs/dbraw/zinc/36/61/52/643366152.db2.gz QNXSMUBJCYSFHF-KBPBESRZSA-N 0 0 245.322 2.294 10 0 BEAERN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000082762298 643374935 /nfs/dbraw/zinc/37/49/35/643374935.db2.gz FHPUVOUYNQYVLU-QMMMGPOBSA-N 0 0 215.174 2.266 10 0 BEAERN O[C@H](c1cn[nH]c1)c1cscc1C(F)F ZINC000720236606 643388995 /nfs/dbraw/zinc/38/89/95/643388995.db2.gz SBHLVDAUANWGIR-MRVPVSSYSA-N 0 0 230.239 2.491 10 0 BEAERN O[C@@H]1CCCC[C@H]1NOCc1ccccc1 ZINC000083099638 643412326 /nfs/dbraw/zinc/41/23/26/643412326.db2.gz XTWMRXDAJFCWNG-CHWSQXEVSA-N 0 0 221.300 2.011 10 0 BEAERN Cc1noc2nc(C(C)(C)C)cc(N)c12 ZINC000214635558 643414895 /nfs/dbraw/zinc/41/48/95/643414895.db2.gz WJEUFVSGHYWAMG-UHFFFAOYSA-N 0 0 205.261 2.411 10 0 BEAERN C/C=C/C(=O)N[C@@H](C)COCc1ccccc1 ZINC000307361755 643455537 /nfs/dbraw/zinc/45/55/37/643455537.db2.gz HUXDJQHWVSZIEB-QBODLPLBSA-N 0 0 233.311 2.284 10 0 BEAERN CCCCOCCNC(=O)CSC(C)(C)C ZINC000127142418 643478354 /nfs/dbraw/zinc/47/83/54/643478354.db2.gz MDTZYTKZARFFPO-UHFFFAOYSA-N 0 0 247.404 2.451 10 0 BEAERN CC(C)c1[nH]nc(N)c1-c1ccccn1 ZINC000077297308 643478837 /nfs/dbraw/zinc/47/88/37/643478837.db2.gz DVEJUYKYYDVISC-UHFFFAOYSA-N 0 0 202.261 2.177 10 0 BEAERN Cc1ccsc1[C@H]1CCNc2c(N)cnn21 ZINC000235815713 643502181 /nfs/dbraw/zinc/50/21/81/643502181.db2.gz WGHALLAICJPTSU-SECBINFHSA-N 0 0 234.328 2.240 10 0 BEAERN CC[C@H]1OCC[C@H]1C(=O)NC1CCCCC1 ZINC000234134032 643507109 /nfs/dbraw/zinc/50/71/09/643507109.db2.gz RFUKUZQJFNRZBQ-VXGBXAGGSA-N 0 0 225.332 2.250 10 0 BEAERN Cc1ccc2oc(C(=O)N[C@@H](C)[C@H](C)O)cc2c1 ZINC000346417107 643561604 /nfs/dbraw/zinc/56/16/04/643561604.db2.gz SZOGRGROJMXRNT-UWVGGRQHSA-N 0 0 247.294 2.240 10 0 BEAERN Cc1cc2n(n1)[C@@H](c1nccs1)CCN2 ZINC000235996076 643563793 /nfs/dbraw/zinc/56/37/93/643563793.db2.gz NSXZZAIZTRTBRW-MRVPVSSYSA-N 0 0 220.301 2.053 10 0 BEAERN C[C@H](CO)CSC[C@H](O)c1ccccc1 ZINC000085138507 643603947 /nfs/dbraw/zinc/60/39/47/643603947.db2.gz VLTZWQKPTWXEPV-PWSUYJOCSA-N 0 0 226.341 2.082 10 0 BEAERN CO[C@@H]1CCC[C@@H]1Nc1cc(C)ccn1 ZINC000050374515 643690938 /nfs/dbraw/zinc/69/09/38/643690938.db2.gz PEJKTIRQJRIIJH-WDEREUQCSA-N 0 0 206.289 2.369 10 0 BEAERN C[C@@H]1C[C@@H]1NC(=O)CSC(C)(C)C ZINC000075530814 643695194 /nfs/dbraw/zinc/69/51/94/643695194.db2.gz JZGRFYJFWJXUCJ-SFYZADRCSA-N 0 0 201.335 2.043 10 0 BEAERN C#CC[C@H](OC(=O)[C@H]1CCCO[C@@H]1C)C(C)C ZINC000192242033 644138821 /nfs/dbraw/zinc/13/88/21/644138821.db2.gz NYERERRZAHSBOR-AGIUHOORSA-N 0 0 238.327 2.393 10 0 BEAERN C#CC[C@H](OC(=O)[C@@H]1CCCO[C@@H]1C)C(C)C ZINC000192242024 644139473 /nfs/dbraw/zinc/13/94/73/644139473.db2.gz NYERERRZAHSBOR-UPJWGTAASA-N 0 0 238.327 2.393 10 0 BEAERN C[C@@H]1OCCC[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000192239375 644140081 /nfs/dbraw/zinc/14/00/81/644140081.db2.gz GBPYCOTVXFAVGT-WDEREUQCSA-N 0 0 237.299 2.039 10 0 BEAERN C[C@@H](OC(=O)c1cccc(F)c1)[C@H]1CCOC1 ZINC000079176693 644159456 /nfs/dbraw/zinc/15/94/56/644159456.db2.gz AKDWXSBRVDLDJD-KOLCDFICSA-N 0 0 238.258 2.408 10 0 BEAERN CCC[C@H](N)c1nc(-c2ccoc2C)no1 ZINC000074047163 644164223 /nfs/dbraw/zinc/16/42/23/644164223.db2.gz PILQOXRUAZVOQB-VIFPVBQESA-N 0 0 221.260 2.438 10 0 BEAERN C[C@@H](OC(=O)c1cnn(C)c1)c1cccs1 ZINC000194559178 644327931 /nfs/dbraw/zinc/32/79/31/644327931.db2.gz BYZIJLQNSCNULP-MRVPVSSYSA-N 0 0 236.296 2.400 10 0 BEAERN Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)[O-])cc1C ZINC000082343127 644370769 /nfs/dbraw/zinc/37/07/69/644370769.db2.gz BAPLKOOJUQCAQN-OLZOCXBDSA-N 0 0 233.311 2.033 10 0 BEAERN CCOC(=O)c1cnc(C2(C)CC2)nc1C ZINC000230386772 644526161 /nfs/dbraw/zinc/52/61/61/644526161.db2.gz HIQVILVCNUGCGN-UHFFFAOYSA-N 0 0 220.272 2.013 10 0 BEAERN C[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CCOC1 ZINC000246079505 644562622 /nfs/dbraw/zinc/56/26/22/644562622.db2.gz DYLVOBRRDAVVQX-PDEGPIFNSA-N 0 0 224.300 2.001 10 0 BEAERN CCSCCSCc1nnnn1C(C)C ZINC000091618780 644635273 /nfs/dbraw/zinc/63/52/73/644635273.db2.gz RZQXUOKBHJCHLK-UHFFFAOYSA-N 0 0 246.405 2.240 10 0 BEAERN CCOC[C@H](C)OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000248822352 644699388 /nfs/dbraw/zinc/69/93/88/644699388.db2.gz GBPRNVXVERKFJC-NNYUYHANSA-N 0 0 226.316 2.391 10 0 BEAERN CC[C@H](C)CC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000249082475 644712816 /nfs/dbraw/zinc/71/28/16/644712816.db2.gz PXEYAZWQHHTPGT-DCAQKATOSA-N 0 0 214.305 2.391 10 0 BEAERN CCc1c(N)n[nH]c1[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250128228 644746668 /nfs/dbraw/zinc/74/66/68/644746668.db2.gz FLWIWRPKVYHGDV-MYJAWHEDSA-N 0 0 205.305 2.458 10 0 BEAERN O=C(NOCc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250638456 644773995 /nfs/dbraw/zinc/77/39/95/644773995.db2.gz BNOOLVVLPJTDMW-CLLJXQQHSA-N 0 0 231.295 2.281 10 0 BEAERN CC(C)=CCCC(C)=CCNC(=O)c1cn[nH]n1 ZINC000096833113 644840812 /nfs/dbraw/zinc/84/08/12/644840812.db2.gz QEDYHYICLOBEMG-XFFZJAGNSA-N 0 0 248.330 2.227 10 0 BEAERN CCC/C=C\c1nccc(N2CCC[C@H](O)C2)n1 ZINC000096859360 644843337 /nfs/dbraw/zinc/84/33/37/644843337.db2.gz LXKCAWXWWYDOJC-KMSCOEIWSA-N 0 0 247.342 2.251 10 0 BEAERN CCC(=O)c1nc(C)c(C2OCCO2)s1 ZINC000757125947 644864073 /nfs/dbraw/zinc/86/40/73/644864073.db2.gz UYRQHLTXJNXORC-UHFFFAOYSA-N 0 0 227.285 2.090 10 0 BEAERN CC1(C)C[C@@H]1c1noc([C@H](N)CC2CC2)n1 ZINC000304341444 644893549 /nfs/dbraw/zinc/89/35/49/644893549.db2.gz IXKWZAUPLYLTMG-RKDXNWHRSA-N 0 0 221.304 2.383 10 0 BEAERN CSCC[C@H](N)c1nc(CC2CCC2)no1 ZINC000304566648 644917075 /nfs/dbraw/zinc/91/70/75/644917075.db2.gz HKWZOVJIIJVWGU-VIFPVBQESA-N 0 0 241.360 2.165 10 0 BEAERN C[C@@H](NC(=O)OC1CCCC1)[C@H]1CCCO1 ZINC000304613043 644921432 /nfs/dbraw/zinc/92/14/32/644921432.db2.gz RYVAGQDKXBMCET-MWLCHTKSSA-N 0 0 227.304 2.223 10 0 BEAERN O=C(OCCc1cccnc1)c1ccoc1 ZINC000105555321 645336359 /nfs/dbraw/zinc/33/63/59/645336359.db2.gz IKQVLXGAPXLKMM-UHFFFAOYSA-N 0 0 217.224 2.074 10 0 BEAERN C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c3ccccc32)O1 ZINC000127785975 645829258 /nfs/dbraw/zinc/82/92/58/645829258.db2.gz SPRUGFUWDYJUSO-KCJUWKMLSA-N 0 0 245.282 2.069 10 0 BEAERN COC[C@@H](OC(=O)CCc1ccoc1)C1CC1 ZINC000132046037 645852094 /nfs/dbraw/zinc/85/20/94/645852094.db2.gz QZFPDZWZAYZQAI-GFCCVEGCSA-N 0 0 238.283 2.180 10 0 BEAERN C[C@H](O)[C@H](C)Nc1ccc2ccccc2n1 ZINC000223728968 645902073 /nfs/dbraw/zinc/90/20/73/645902073.db2.gz KBMKBUVDDDUWIF-UWVGGRQHSA-N 0 0 216.284 2.416 10 0 BEAERN CC[C@H](NC(=O)OC(C)C)[C@H]1CCCOC1 ZINC000723846415 711538818 /nfs/dbraw/zinc/53/88/18/711538818.db2.gz SVRRISVKPLZUPJ-QWRGUYRKSA-N 0 0 229.320 2.326 10 0 BEAERN CC[C@H]1CCN1Cc1cnc(Cl)cn1 ZINC000725648533 711668616 /nfs/dbraw/zinc/66/86/16/711668616.db2.gz QARHELFKIRZGMP-VIFPVBQESA-N 0 0 211.696 2.114 10 0 BEAERN Clc1cncc(N2C[C@@H]3CCC[C@@H]32)n1 ZINC000706884133 712158847 /nfs/dbraw/zinc/15/88/47/712158847.db2.gz QWDQKYWIRAQDJB-YUMQZZPRSA-N 0 0 209.680 2.119 10 0 BEAERN O=C(c1cccnc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000706771785 712155443 /nfs/dbraw/zinc/15/54/43/712155443.db2.gz HFXDCBGVFSDHTE-PSASIEDQSA-N 0 0 236.702 2.360 10 0 BEAERN CSC1CC(NC(=O)c2ccc(F)cc2)C1 ZINC000707170606 712165892 /nfs/dbraw/zinc/16/58/92/712165892.db2.gz BGHVJDODRAXCNL-UHFFFAOYSA-N 0 0 239.315 2.450 10 0 BEAERN CSC1CC(NC(=O)N2CCC[C@H](C)C2)C1 ZINC000707271209 712167591 /nfs/dbraw/zinc/16/75/91/712167591.db2.gz OHWCSCZRPSRXKJ-WHXUTIOJSA-N 0 0 242.388 2.322 10 0 BEAERN CS[C@H]1CCCCN(C(=O)n2ccnc2)C1 ZINC000707293723 712169229 /nfs/dbraw/zinc/16/92/29/712169229.db2.gz VACIXGXNKMZJQY-JTQLQIEISA-N 0 0 239.344 2.069 10 0 BEAERN COC(=O)N1CCCC[C@H]1c1nccs1 ZINC000710582288 712263016 /nfs/dbraw/zinc/26/30/16/712263016.db2.gz ZWQGUHIZUKLZQN-QMMMGPOBSA-N 0 0 226.301 2.437 10 0 BEAERN CCC[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713381527 712458454 /nfs/dbraw/zinc/45/84/54/712458454.db2.gz LQEGCOAFFBYVDU-GHMZBOCLSA-N 0 0 243.347 2.035 10 0 BEAERN CC(=O)[C@@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC000713950911 712474721 /nfs/dbraw/zinc/47/47/21/712474721.db2.gz VHCXIUDUFGMPHG-SNVBAGLBSA-N 0 0 247.285 2.249 10 0 BEAERN CC(=O)OC[C@@H](C)COc1ccccc1 ZINC000129340349 712635133 /nfs/dbraw/zinc/63/51/33/712635133.db2.gz KGAMNMOBLJYZEJ-SNVBAGLBSA-N 0 0 208.257 2.265 10 0 BEAERN O[C@@H]1CCC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000380005680 712669657 /nfs/dbraw/zinc/66/96/57/712669657.db2.gz PCBMTHUYRHXOGB-RKDXNWHRSA-N 0 0 226.707 2.450 10 0 BEAERN